A0A075B5W3_MOUSE Loading...

Immunoglobulin heavy variable 1-53

AlphaFold DB , UniProt , Accession A0A075B5W3, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-53, Length 117 aa.

						>A0A075B5W3_MOUSE|A0A075B5W3|Ighv1-53
MGWSCIILFLVAAATGVHSQVQLQQPGTELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGNINPSNGGTNYNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCAR
					

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	45.5	Very low	59.2	Low	247 Å²	247	156.1 Å²	156.1	100%	1.217	84%	0.837	S	S	*	*				0	122.1	0	-75.9	152.2	60.9	0	0	108
2	G	53.3	Low	59.5	Low	69 Å²	69	151.1 Å²	151.1	71%	0.711	83%	0.834	S	S	*	*			trans	81.7	86.7	170.3	0	0	0	0	0	115.4
3	W	55.6	Low	60	Low	250 Å²	250	145.4 Å²	145.4	95%	0.947	82%	0.818	S	S	*	*				86.8	87.3	93.9	-89	-18.4	0	0	0	112.2
4	S	55.9	Low	60.3	Low	106 Å²	106	142.4 Å²	142.4	74%	0.741	82%	0.821	S	S	*	*				57.2	84.8	93.1	-73.6	0	0	0	0	113.5	I6	S4-I6 PolarHBondContact O-N 3.36Å
5	C	65.9	Low	60.6	Low	130 Å²	130	140.7 Å²	140.7	88%	0.878	81%	0.814	S	S	*	*			trans	-75.5	97.9	162.8	-71.2	0	0	0	0	109.1
6	I	65.2	Low	60.6	Low	152 Å²	152	135.4 Å²	135.4	78%	0.779	80%	0.8	S	S	*	*			trans	-63.9	129.5	171.4	-73.6	163.8	0	0	0	109.4	S4	S4-I6 PolarHBondContact O-N 3.36Å
7	I	60.7	Low	60.9	Low	134 Å²	134	135.4 Å²	135.4	69%	0.687	80%	0.8	S	S	*	*			trans	-76.3	120.9	179.8	-58.4	174.1	0	0	0	109.1	F9	I7-F9 HydrophobicContact CG2-CD2 3.58Å; I7-F9 HydrophobicContact CG2-CE2 3.57Å
8	L	61.5	Low	61	Low	155 Å²	155	137.6 Å²	137.6	81%	0.812	80%	0.801	S	S	*	*			trans	-96.3	102.9	169.6	-99.1	151.3	0	0	0	109.3	L10	L8-L10 PolarHBondContact O-N 3.08Å
9	F	59.7	Low	61.9	Low	181 Å²	181	134.9 Å²	134.9	79%	0.794	79%	0.791	S	S	*	*			trans	-84.1	104	165.7	-88.1	-82.8	0	0	0	109.1	I7 V11	I7-F9 HydrophobicContact CG2-CD2 3.58Å; I7-F9 HydrophobicContact CG2-CE2 3.57Å; F9-V11 PolarHBondContact O-N 2.78Å
10	L	59.9	Low	63.4	Low	162 Å²	162	135.1 Å²	135.1	85%	0.848	78%	0.784	S	S	*	*			trans	-80.9	103.6	167.5	-82.2	160.9	0	0	0	108.9	L8 A12	L8-L10 PolarHBondContact O-N 3.08Å; L10-A12 PolarHBondContact O-N 3.32Å
11	V	67.6	Low	64.8	Low	131 Å²	131	131.4 Å²	131.4	79%	0.794	76%	0.763	S	S	*	*			trans	-81.7	100.4	166.9	-179.8	0	0	0	0	107.8	F9 A13	F9-V11 PolarHBondContact O-N 2.78Å; V11-A13 PolarHBondContact O-N 3.48Å; V11-A13 VanDerWaalsContact O-N 3.16Å
12	A	63.3	Low	67.3	Low	96 Å²	96	124.2 Å²	124.2	79%	0.793	73%	0.726	S	S	*	*			trans	-77.5	93.9	169.8	0	0	0	0	0	109	L10 A14	L10-A12 PolarHBondContact O-N 3.32Å; A12-A14 PolarHBondContact O-N 3.32Å
13	A	65.7	Low	69.4	Low	77 Å²	77	123.5 Å²	123.5	64%	0.636	71%	0.706	S	S	*	*			trans	-73.4	94.6	168.5	0	0	0	0	0	108.9	V11 T15	V11-A13 PolarHBondContact O-N 3.48Å; V11-A13 VanDerWaalsContact O-N 3.16Å; A13-T15 PolarHBondContact O-N 3.23Å
14	A	64.4	Low	71.4	Confident	104 Å²	104	117.9 Å²	117.9	86%	0.86	69%	0.69	S	S	*	*			trans	-70.1	81	166.9	0	0	0	0	0	108.7	A12 G16	A12-A14 PolarHBondContact O-N 3.32Å; A14-G16 PolarHBondContact O-N 2.99Å; A14-G16 VanDerWaalsContact O-N 3.14Å
15	T	64.1	Low	73.4	Confident	117 Å²	117	115 Å²	115	72%	0.718	67%	0.665	S	S	*	*			trans	-76.6	98.5	167.6	54.7	0	0	0	0	107.3	A13 V17	A13-T15 PolarHBondContact O-N 3.23Å; T15-V17 PolarHBondContact O-N 3.15Å; T15-V17 VanDerWaalsContact O-N 3.15Å
16	G	60.8	Low	74.7	Confident	56 Å²	56	111.9 Å²	111.9	58%	0.577	64%	0.643	S	S	*	*			trans	-58.7	116.4	163.5	0	0	0	0	0	108	A14 H18	A14-G16 PolarHBondContact O-N 2.99Å; A14-G16 VanDerWaalsContact O-N 3.14Å; G16-H18 VanDerWaalsContact C-N 3.26Å; G16-H18 PolarHBondContact O-N 3.03Å
17	V	65.5	Low	75.9	Confident	134 Å²	134	108 Å²	108	81%	0.812	64%	0.64	S	S	*	*			trans	-75.2	83.3	178.5	-175.8	0	0	0	0	108.2	T15 S19	T15-V17 PolarHBondContact O-N 3.15Å; T15-V17 VanDerWaalsContact O-N 3.15Å; V17-S19 PolarHBondContact O-N 2.93Å
18	H	63.2	Low	77.4	Confident	176 Å²	176	107.7 Å²	107.7	82%	0.815	65%	0.645	S	S	*	*			trans	-73.4	115.8	163.8	-69.8	-67.6	0	0	0	107.8	G16 Q20	G16-H18 VanDerWaalsContact C-N 3.26Å; G16-H18 PolarHBondContact O-N 3.03Å; H18-Q20 PolarHBondContact O-N 2.9Å; H18-Q20 VanDerWaalsContact O-N 3.08Å
19	S	77.6	Confident	78.9	Confident	86 Å²	86	105 Å²	105	60%	0.601	63%	0.628	S	S	*	*			trans	-66.5	109.9	173.2	-73	0	0	0	0	109	V17 V21	V17-S19 PolarHBondContact O-N 2.93Å; S19-V21 PolarHBondContact O-N 2.58Å
20	Q	91.7	Very high	80.6	Confident	139 Å²	139	104.1 Å²	104.1	65%	0.65	63%	0.631	S	S	*	*			trans	-70.4	129.6	174	-172.5	-175.7	34.1	0	0	109.2	H18 Q22 G45	H18-Q20 PolarHBondContact O-N 2.9Å; H18-Q20 VanDerWaalsContact O-N 3.08Å; Q20-Q22 HydrophobicContact CG-CG 4.32Å; Q20-G45 WeakPolarHBondContact O-CA 3.45Å
21	V	94.1	Very high	82.2	Confident	58 Å²	58	99.6 Å²	99.6	35%	0.352	61%	0.61	S	S	.	*			trans	-74.5	126.7	175.4	174	0	0	0	0	108.8	S19 Y46 R117	S19-V21 PolarHBondContact O-N 2.58Å; V21-Y46 HydrophobicContact CG1-CD1 3.96Å; V21-Y46 HydrophobicContact CG1-CE1 4.19Å; V21-R117 VanDerWaalsContact CG1-NH1 3.31Å; V21-R117 VanDerWaalsContact CG2-CZ 3.42Å; V21-R117 VanDerWaalsContact CG2-NH2 3.32Å
22	Q	96.7	Very high	83.5	Confident	95 Å²	95	101.7 Å²	101.7	44%	0.444	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.3	140.3	178.1	-60.1	-179.2	-16.2	0	0	110.8	Q20 A43 S44	Q20-Q22 HydrophobicContact CG-CG 4.32Å; Q22-A43 WeakPolarHBondContact O-CA 3.5Å; Q22-S44 PolarHBondContact N-O 2.8Å; Q22-S44 PolarHBondContact O-N 3Å
23	L	97.7	Very high	85	Confident	55 Å²	55	102.5 Å²	102.5	29%	0.288	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.9	112	171.2	-64.1	-176.2	0	0	0	107.7	K42 A43 Y46 M53	L23-K42 WeakPolarHBondContact CA-O 3.14Å; L23-A43 HydrophobicContact CD2-CB 3.85Å; L23-Y46 HydrophobicContact CD2-CE1 4.15Å; L23-M53 HydrophobicContact CD1-CE 4.47Å; L23-M53 HydrophobicContact CD1-SD 4.36Å; L23-M53 HydrophobicContact CD2-CE 3.73Å
24	Q	97.7	Very high	86.5	Confident	132 Å²	132	101.4 Å²	101.4	62%	0.617	60%	0.602	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.4	120.9	-177.1	-174.8	64.4	62.2	0	0	110.4	C41 K42	Q24-C41 WeakPolarHBondContact O-CA 3.34Å; Q24-K42 PolarHBondContact N-O 2.89Å; Q24-K42 PolarHBondContact O-N 2.81Å
25	Q	97.8	Very high	88	Confident	46 Å²	46	98.2 Å²	98.2	22%	0.215	58%	0.575	C	S	.	*			trans	-107	150.4	169.5	-65.7	-179.4	-104.9	0	0	110	C41 Y113 C115	Q25-C41 HydrophobicContact CG-CB 4.17Å; Q25-Y113 PolarHBondContact NE2-O 3.44Å; Q25-Y113 PolarHBondContact OE1-O 2.99Å; Q25-C115 VanDerWaalsContact CD-SG 3.57Å; Q25-C115 VanDerWaalsContact CG-SG 3.55Å; Q25-C115 PolarHBondContact OE1-SG 3.19Å
26	P	93	Very high	89.6	Confident	64 Å²	64	95.8 Å²	95.8	42%	0.416	56%	0.563	S	S	.	*			trans	-65	169.5	168.5	28.5	-31.9	0	0	0	110.4	S40	P26-S40 WeakPolarHBondContact CD-O 3.15Å; P26-S40 WeakPolarHBondContact CD-OG 3.21Å
27	G	91.5	Very high	91.3	Very high	69 Å²	69	93.8 Å²	93.8	71%	0.711	54%	0.54	S	S	*	.			trans	-72.3	-149.6	179.8	0	0	0	0	0	113.4
28	T	92.6	Very high	92.8	Very high	129 Å²	129	92.8 Å²	92.8	79%	0.791	52%	0.524	S	S	*	.			trans	-70	131.9	-175.8	-55.1	0	0	0	0	112.3	L30	T28-L30 HydrophobicContact CG2-CD2 4.31Å; T28-L30 HydrophobicContact CG2-CG 4.4Å
29	E	92.7	Very high	94.5	Very high	98 Å²	98	85.4 Å²	85.4	46%	0.458	49%	0.491	S	S	.	.			trans	-101.8	127.1	168.7	-69.7	-67.6	165.6	0	0	109.7	V37 L39	E29-V37 HydrophobicContact CB-CG2 3.89Å; E29-V37 HydrophobicContact CG-CG2 3.84Å; E29-L39 HydrophobicContact CG-CD2 4.09Å
30	L	94	Very high	95.5	Very high	163 Å²	163	82.9 Å²	82.9	85%	0.853	47%	0.473	S	S	*	.			trans	-110.2	117.5	173.6	-68.2	176.9	0	0	0	109.2	T28	T28-L30 HydrophobicContact CG2-CD2 4.31Å; T28-L30 HydrophobicContact CG2-CG 4.4Å
31	V	94.1	Very high	95.8	Very high	67 Å²	67	76.2 Å²	76.2	41%	0.406	44%	0.442	S	S	.	.			trans	-131.3	147.1	-172.4	-65.6	0	0	0	0	111.1	V37 L105	V31-V37 HydrophobicContact CG1-CB 4.12Å; V31-V37 HydrophobicContact CG1-CG2 4.09Å; V31-L105 HydrophobicContact CB-CD1 4.4Å; V31-L105 HydrophobicContact CG2-CD1 3.53Å
32	K	95.2	Very high	96	Very high	174 Å²	174	79.2 Å²	79.2	76%	0.757	45%	0.45	S	S	*	.			trans	-75.1	148.6	175.5	-65.8	-179.8	-179.1	178.6	0	110.2	G34 A35	K32-G34 PolarHBondContact O-N 3.42Å; K32-A35 WeakPolarHBondContact O-CB 3.48Å; K32-A35 PolarHBondContact O-N 3.15Å; K32-A35 VanDerWaalsContact O-N 3.08Å
33	P	95	Very high	96	Very high	114 Å²	114	75 Å²	75	74%	0.74	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	140.2	168.9	-25.4	34.6	0	0	0	111.7	A35 L105	P33-A35 PolarHBondContact O-N 3.23Å; P33-L105 CarbonylContact C-O 3.59Å; P33-L105 WeakPolarHBondContact CA-O 3.3Å
34	G	96.6	Very high	96	Very high	54 Å²	54	74.9 Å²	74.9	56%	0.557	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-14.7	-175.3	0	0	0	0	0	114.8	K32 L105	K32-G34 PolarHBondContact O-N 3.42Å; G34-L105 PolarHBondContact N-O 3.14Å
35	A	97.4	Very high	95.9	Very high	37 Å²	37	70 Å²	70	31%	0.306	42%	0.421	S	S	.	.			trans	-72.4	171	176.2	0	0	0	0	0	112	K32 P33 S104 L105	K32-A35 WeakPolarHBondContact O-CB 3.48Å; K32-A35 PolarHBondContact O-N 3.15Å; K32-A35 VanDerWaalsContact O-N 3.08Å; P33-A35 PolarHBondContact O-N 3.23Å; A35-S104 PolarHBondContact O-N 3.46Å; A35-L105 WeakPolarHBondContact O-CG 3.39Å; A35-L105 PolarHBondContact O-N 2.79Å
36	S	96.9	Very high	95.8	Very high	65 Å²	65	69.8 Å²	69.8	46%	0.455	42%	0.418	S	S	.	.			trans	-111.6	151.1	170.5	-56.2	0	0	0	0	110.3	L102 S103	S36-L102 CarbonylContact C-O 3.57Å; S36-L102 WeakPolarHBondContact CA-O 3.34Å; S36-L102 WeakPolarHBondContact CB-O 3.41Å; S36-S103 WeakPolarHBondContact OG-CA 3.3Å
37	V	97.2	Very high	95.9	Very high	15 Å²	15	71 Å²	71	9%	0.091	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.9	173.2	74.7	0	0	0	0	109.7	E29 V31 L39 Q101 L102 L105	E29-V37 HydrophobicContact CB-CG2 3.89Å; E29-V37 HydrophobicContact CG-CG2 3.84Å; V31-V37 HydrophobicContact CG1-CB 4.12Å; V31-V37 HydrophobicContact CG1-CG2 4.09Å; V37-L39 HydrophobicContact CG1-CD2 4.18Å; V37-L39 HydrophobicContact CG1-CG 4.35Å; V37-L39 HydrophobicContact CG2-CD2 3.92Å; V37-Q101 CarbonylContact O-C 3.59Å; V37-Q101 VanDerWaalsContact O-CA 3.29Å; V37-Q101 WeakPolarHBondContact O-CA 3.13Å; V37-L102 HydrophobicContact CG1-CB 4.16Å; V37-L102 HydrophobicContact CG1-CD1 4.42Å; V37-L102 PolarHBondContact N-O 2.9Å; V37-L102 PolarHBondContact O-N 2.87Å; V37-L105 HydrophobicContact CB-CD1 3.96Å; V37-L105 HydrophobicContact CG1-CD1 3.74Å
38	K	97.2	Very high	96.2	Very high	113 Å²	113	68 Å²	68	49%	0.491	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	104.2	174.3	-173.5	178.1	-178	179.5	0	109.6	Y99	K38-Y99 HydrophobicContact CD-CD1 4.35Å; K38-Y99 HydrophobicContact CG-CD1 4.26Å
39	L	97.7	Very high	96.4	Very high	20 Å²	20	64.6 Å²	64.6	11%	0.105	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	143.9	176.5	-52	-175.3	0	0	0	109.8	E29 V37 W55 Y99 M100 Y113	E29-L39 HydrophobicContact CG-CD2 4.09Å; V37-L39 HydrophobicContact CG1-CD2 4.18Å; V37-L39 HydrophobicContact CG1-CG 4.35Å; V37-L39 HydrophobicContact CG2-CD2 3.92Å; L39-W55 HydrophobicContact CB-CH2 4Å; L39-W55 HydrophobicContact CB-CZ3 3.91Å; L39-W55 HydrophobicContact CD1-CZ3 4.4Å; L39-Y99 CarbonylContact O-C 3.5Å; L39-Y99 WeakPolarHBondContact O-CA 2.99Å; L39-M100 HydrophobicContact CD1-CE 3.69Å; L39-M100 PolarHBondContact N-O 3.15Å; L39-M100 PolarHBondContact O-N 3.42Å; L39-Y113 HydrophobicContact CD1-CD1 4.35Å; L39-Y113 HydrophobicContact CD1-CD2 4.08Å; L39-Y113 HydrophobicContact CD1-CG 3.74Å
40	S	98.2	Very high	96.6	Very high	33 Å²	33	63.6 Å²	63.6	23%	0.231	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144.7	176.9	63.1	0	0	0	0	111.4	P26 A98 Y99	P26-S40 WeakPolarHBondContact CD-O 3.15Å; P26-S40 WeakPolarHBondContact CD-OG 3.21Å; S40-A98 CarbonylContact C-O 3.51Å; S40-A98 WeakPolarHBondContact CA-O 3.48Å; S40-Y99 VanDerWaalsContact CB-CE1 3.45Å
41	C	98.4	Very high	96.7	Very high	0 Å²	0	61 Å²	61	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	107.7	173.7	177.9	0	0	0	0	109.3	Q24 Q25 W55 T97 A98 C115	Q24-C41 WeakPolarHBondContact O-CA 3.34Å; Q25-C41 HydrophobicContact CG-CB 4.17Å; C41-W55 HydrophobicContact CB-CH2 3.88Å; C41-W55 HydrophobicContact CB-CZ2 4.03Å; C41-T97 WeakPolarHBondContact O-CA 3.34Å; C41-A98 PolarHBondContact N-O 2.79Å; C41-A98 PolarHBondContact O-N 2.93Å; C41-C115 HydrophobicContact CB-CB 3.42Å; C41-C115 VanDerWaalsContact CB-CB 3.42Å; C41-C115 WeakPolarHBondContact CB-SG 3.47Å; C41-C115 WeakPolarHBondContact SG-CB 3.33Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 3.47Å
42	K	98.3	Very high	96.9	Very high	121 Å²	121	62.3 Å²	62.3	53%	0.526	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.6	179.7	-176.2	173.6	-178.1	178	0	110	L23 Q24	L23-K42 WeakPolarHBondContact CA-O 3.14Å; Q24-K42 PolarHBondContact N-O 2.89Å; Q24-K42 PolarHBondContact O-N 2.81Å
43	A	98	Very high	97.1	Very high	5 Å²	5	54.1 Å²	54.1	4%	0.041	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	140.4	-179.2	0	0	0	0	0	112.1	Q22 L23 Y46 F48 S96	Q22-A43 WeakPolarHBondContact O-CA 3.5Å; L23-A43 HydrophobicContact CD2-CB 3.85Å; A43-Y46 HydrophobicContact CB-CE1 3.63Å; A43-Y46 WeakPolarHBondContact CB-OH 3.02Å; A43-F48 HydrophobicContact CB-CB 4.48Å; A43-F48 HydrophobicContact CB-CD2 3.42Å; A43-F48 VanDerWaalsContact CB-CD2 3.42Å; A43-F48 HydrophobicContact CB-CE2 3.92Å; A43-F48 HydrophobicContact CB-CG 4.21Å; A43-S96 PolarHBondContact N-O 2.86Å; A43-S96 WeakPolarHBondContact O-CB 3.43Å
44	S	96.9	Very high	97.3	Very high	53 Å²	53	51.4 Å²	51.4	37%	0.371	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	162.4	171.4	64.1	0	0	0	0	111.7	Q22 Y46	Q22-S44 PolarHBondContact N-O 2.8Å; Q22-S44 PolarHBondContact O-N 3Å; S44-Y46 VanDerWaalsContact C-N 3.35Å; S44-Y46 WeakPolarHBondContact O-CD1 3.33Å
45	G	95.5	Very high	97.4	Very high	31 Å²	31	48.8 Å²	48.8	32%	0.32	27%	0.267	S	S	.	.	S	Bend	trans	80.2	10.4	179.2	0	0	0	0	0	115.4	Q20	Q20-G45 WeakPolarHBondContact O-CA 3.45Å
46	Y	94.4	Very high	97.4	Very high	40 Å²	40	48.3 Å²	48.3	16%	0.157	26%	0.26	C	S	.	.	S	Bend	trans	-157.9	166.8	172.6	70.8	-78.6	0	0	0	111.8	V21 L23 A43 S44 F48 Y51	V21-Y46 HydrophobicContact CG1-CD1 3.96Å; V21-Y46 HydrophobicContact CG1-CE1 4.19Å; L23-Y46 HydrophobicContact CD2-CE1 4.15Å; A43-Y46 HydrophobicContact CB-CE1 3.63Å; A43-Y46 WeakPolarHBondContact CB-OH 3.02Å; S44-Y46 VanDerWaalsContact C-N 3.35Å; S44-Y46 WeakPolarHBondContact O-CD1 3.33Å; Y46-F48 PolarHBondContact O-N 3.04Å; Y46-Y51 AromaticContact CD2-CD2 3.51Å; Y46-Y51 HydrophobicContact CD2-CD2 3.51Å; Y46-Y51 HydrophobicContact CD2-CE2 4.03Å; Y46-Y51 HydrophobicContact CD2-CG 4.37Å; Y46-Y51 AromaticContact CE2-CD2 3.78Å; Y46-Y51 HydrophobicContact CE2-CD2 3.78Å; Y46-Y51 HydrophobicContact CE2-CG 4.24Å
47	T	95.9	Very high	97.4	Very high	89 Å²	89	45.2 Å²	45.2	55%	0.546	24%	0.239	S	C	.	.			trans	-69.2	98.9	171.2	-53.2	0	0	0	0	109.6	T49 S50	T47-T49 PolarHBondContact O-N 2.82Å; T47-T49 VanDerWaalsContact O-N 3.14Å; T47-S50 WeakPolarHBondContact CB-OG 3.29Å; T47-S50 VanDerWaalsContact CG2-OG 3.22Å; T47-S50 WeakPolarHBondContact CG2-OG 3.5Å; T47-S50 WeakPolarHBondContact O-CB 3.36Å; T47-S50 PolarHBondContact O-N 2.89Å
48	F	97.1	Very high	97.4	Very high	7 Å²	7	47.9 Å²	47.9	3%	0.031	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-52.5	-38.8	-174.7	175.7	-124.1	0	0	0	113.5	A43 Y46 S50 M53 P72 V91 S96 A98	A43-F48 HydrophobicContact CB-CB 4.48Å; A43-F48 HydrophobicContact CB-CD2 3.42Å; A43-F48 VanDerWaalsContact CB-CD2 3.42Å; A43-F48 HydrophobicContact CB-CE2 3.92Å; A43-F48 HydrophobicContact CB-CG 4.21Å; Y46-F48 PolarHBondContact O-N 3.04Å; F48-S50 PolarHBondContact O-N 2.95Å; F48-M53 HydrophobicContact CE2-CE 3.86Å; F48-P72 HydrophobicContact CD1-CB 3.92Å; F48-P72 HydrophobicContact CD2-CB 4.47Å; F48-P72 HydrophobicContact CD2-CG 4.34Å; F48-P72 HydrophobicContact CE1-CB 3.65Å; F48-P72 HydrophobicContact CE1-CG 4.27Å; F48-P72 HydrophobicContact CE2-CB 4.2Å; F48-P72 HydrophobicContact CE2-CG 3.93Å; F48-P72 HydrophobicContact CG-CB 4.35Å; F48-P72 HydrophobicContact CZ-CB 3.79Å; F48-P72 HydrophobicContact CZ-CG 3.9Å; F48-V91 HydrophobicContact CE1-CG2 3.41Å; F48-V91 VanDerWaalsContact CE1-CG2 3.41Å; F48-V91 HydrophobicContact CZ-CG2 3.73Å; F48-S96 VanDerWaalsContact CD1-CA 3.47Å; F48-A98 HydrophobicContact CZ-CB 4.15Å
49	T	97.7	Very high	97.3	Very high	57 Å²	57	44.9 Å²	44.9	35%	0.35	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-72.3	-6.3	179.3	55.1	0	0	0	0	114.9	T47 S73 K93	T47-T49 PolarHBondContact O-N 2.82Å; T47-T49 VanDerWaalsContact O-N 3.14Å; T49-S73 WeakPolarHBondContact O-CB 3.44Å; T49-K93 HydrophobicContact CG2-CG 4.48Å
50	S	96.9	Very high	97.1	Very high	78 Å²	78	49.4 Å²	49.4	55%	0.545	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-91.6	-7.1	-178.5	-60.9	0	0	0	0	114.2	T47 F48	T47-S50 WeakPolarHBondContact CB-OG 3.29Å; T47-S50 VanDerWaalsContact CG2-OG 3.22Å; T47-S50 WeakPolarHBondContact CG2-OG 3.5Å; T47-S50 WeakPolarHBondContact O-CB 3.36Å; T47-S50 PolarHBondContact O-N 2.89Å; F48-S50 PolarHBondContact O-N 2.95Å
51	Y	97	Very high	96.9	Very high	107 Å²	107	52.3 Å²	52.3	42%	0.42	30%	0.301	S	S	.	.	S	Bend	trans	-134.4	145.5	-176.9	-65.3	-94.2	0	0	0	111.1	Y46 P72	Y46-Y51 AromaticContact CD2-CD2 3.51Å; Y46-Y51 HydrophobicContact CD2-CD2 3.51Å; Y46-Y51 HydrophobicContact CD2-CE2 4.03Å; Y46-Y51 HydrophobicContact CD2-CG 4.37Å; Y46-Y51 AromaticContact CE2-CD2 3.78Å; Y46-Y51 HydrophobicContact CE2-CD2 3.78Å; Y46-Y51 HydrophobicContact CE2-CG 4.24Å; Y51-P72 WeakPolarHBondContact O-CD 3.2Å; Y51-P72 VanDerWaalsContact O-CG 3.23Å; Y51-P72 WeakPolarHBondContact O-CG 3.32Å
52	W	98.3	Very high	96.7	Very high	96 Å²	96	57.5 Å²	57.5	36%	0.364	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-69.2	145.2	171.8	-71.2	78.1	0	0	0	110.1	N69 N71 G76	W52-N69 HydrophobicContact CE3-CB 4.14Å; W52-N69 VanDerWaalsContact CE3-OD1 3.29Å; W52-N69 VanDerWaalsContact CZ3-OD1 3.3Å; W52-N69 WeakPolarHBondContact CZ3-OD1 3.41Å; W52-N71 HydrophobicContact CD2-CB 3.84Å; W52-N71 HydrophobicContact CE3-CB 3.7Å; W52-N71 HydrophobicContact CH2-CB 3.59Å; W52-N71 HydrophobicContact CZ2-CB 3.7Å; W52-N71 HydrophobicContact CZ3-CB 3.58Å; W52-G76 WeakPolarHBondContact CZ3-O 3.43Å
53	M	98.5	Very high	96.4	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.1	170.3	-174.5	63.2	63.9	0	0	109.4	L23 F48 N69 I70 A98 C115	L23-M53 HydrophobicContact CD1-CE 4.47Å; L23-M53 HydrophobicContact CD1-SD 4.36Å; L23-M53 HydrophobicContact CD2-CE 3.73Å; F48-M53 HydrophobicContact CE2-CE 3.86Å; M53-N69 CarbonylContact O-C 3.55Å; M53-N69 WeakPolarHBondContact O-CA 3.14Å; M53-N69 WeakPolarHBondContact O-CB 3.49Å; M53-I70 HydrophobicContact CB-CG2 3.92Å; M53-I70 PolarHBondContact N-O 3.49Å; M53-I70 PolarHBondContact O-N 2.97Å; M53-A98 HydrophobicContact CB-CB 4.05Å; M53-A98 HydrophobicContact CG-CB 3.62Å; M53-C115 HydrophobicContact CG-CB 4.5Å; M53-C115 HydrophobicContact SD-CB 3.73Å
54	H	98.6	Very high	96.4	Very high	57 Å²	57	59.9 Å²	59.9	26%	0.264	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	144.7	177.3	-66.4	-108.7	0	0	0	110.6	W66 N69 C115 A116	H54-W66 AromaticContact ND1-NE1 3.37Å; H54-W66 PolarHBondContact ND1-NE1 2.96Å; H54-N69 PolarHBondContact CE1-ND2 2.81Å; H54-C115 CarbonylContact O-C 3.52Å; H54-C115 VanDerWaalsContact O-CA 3.28Å; H54-C115 WeakPolarHBondContact O-CA 3.37Å; H54-A116 HydrophobicContact CB-CB 4.4Å; H54-A116 PolarHBondContact N-O 3.23Å; H54-A116 PolarHBondContact O-N 3.25Å
55	W	98.6	Very high	96.4	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.5	172.1	-69.3	90.1	0	0	0	110.3	L39 C41 I67 G68 L89 A98 M100 Y114 C115	L39-W55 HydrophobicContact CB-CH2 4Å; L39-W55 HydrophobicContact CB-CZ3 3.91Å; L39-W55 HydrophobicContact CD1-CZ3 4.4Å; C41-W55 HydrophobicContact CB-CH2 3.88Å; C41-W55 HydrophobicContact CB-CZ2 4.03Å; W55-I67 HydrophobicContact CB-CB 4.18Å; W55-I67 HydrophobicContact CB-CD1 4.33Å; W55-I67 WeakPolarHBondContact O-CB 3.38Å; W55-I67 PolarHBondContact O-N 2.64Å; W55-G68 PolarHBondContact N-O 2.94Å; W55-L89 HydrophobicContact CG-CD2 4.11Å; W55-A98 HydrophobicContact CZ2-CB 4.4Å; W55-M100 HydrophobicContact CB-CE 4.5Å; W55-M100 HydrophobicContact CB-SD 3.79Å; W55-M100 HydrophobicContact CD2-CB 3.61Å; W55-M100 HydrophobicContact CD2-CE 4.15Å; W55-M100 HydrophobicContact CD2-CG 4.39Å; W55-M100 HydrophobicContact CD2-SD 3.99Å; W55-M100 HydrophobicContact CE3-CB 3.88Å; W55-M100 HydrophobicContact CE3-CE 3.61Å; W55-M100 HydrophobicContact CE3-SD 4.09Å; W55-M100 HydrophobicContact CG-CB 4.14Å; W55-M100 HydrophobicContact CG-SD 3.89Å; W55-M100 HydrophobicContact CH2-CB 4.02Å; W55-M100 HydrophobicContact CZ2-CB 3.79Å; W55-M100 HydrophobicContact CZ3-CB 4.07Å; W55-M100 HydrophobicContact CZ3-CE 4.16Å; W55-Y114 WeakPolarHBondContact CA-O 3.38Å; W55-C115 HydrophobicContact CD2-CB 4.47Å; W55-C115 HydrophobicContact CE3-CB 4.28Å; W55-C115 HydrophobicContact CH2-CB 4.34Å; W55-C115 HydrophobicContact CZ2-CB 4.49Å; W55-C115 HydrophobicContact CZ3-CB 4.22Å
56	V	98.3	Very high	96.5	Very high	26 Å²	26	61.4 Å²	61.4	16%	0.158	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	135.6	-175	-174.8	0	0	0	0	109.9	L64 Y113 Y114	V56-L64 HydrophobicContact CG1-CB 3.8Å; V56-L64 HydrophobicContact CG1-CD2 3.9Å; V56-L64 HydrophobicContact CG1-CG 4.31Å; V56-Y113 WeakPolarHBondContact O-CA 3.27Å; V56-Y114 PolarHBondContact N-O 3.16Å; V56-Y114 PolarHBondContact O-N 3.17Å
57	K	97.4	Very high	96.7	Very high	1 Å²	1	59.5 Å²	59.5	0%	0.004	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	137	174.9	-174	178.5	-177.5	177.3	0	110	E65 I67 F83 E108 D109 A111 Y113	K57-E65 HydrophobicContact CB-CB 4.44Å; K57-E65 PolarHBondContact N-O 3.44Å; K57-E65 PolarHBondContact O-N 3.22Å; K57-I67 HydrophobicContact CB-CD1 4.02Å; K57-I67 HydrophobicContact CB-CG1 4.16Å; K57-F83 HydrophobicContact CD-CE1 4.03Å; K57-F83 HydrophobicContact CD-CZ 3.94Å; K57-E108 WeakPolarHBondContact CE-O 3.46Å; K57-E108 PolarHBondContact NZ-O 2.97Å; K57-D109 IonicContact NZ-OD1 2.97Å; K57-D109 PolarHBondContact NZ-OD1 3.39Å; K57-A111 HydrophobicContact CD-CB 4.21Å; K57-A111 HydrophobicContact CG-CB 3.54Å; K57-Y113 HydrophobicContact CB-CD1 4.22Å; K57-Y113 HydrophobicContact CB-CE1 3.97Å; K57-Y113 HydrophobicContact CD-CE1 4.02Å; K57-Y113 WeakPolarHBondContact CE-OH 3.22Å; K57-Y113 HydrophobicContact CG-CD1 4.31Å; K57-Y113 HydrophobicContact CG-CE1 3.77Å
58	Q	97.1	Very high	96.8	Very high	70 Å²	70	55.2 Å²	55.2	33%	0.327	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	113.2	170	-168.1	-177.6	26	0	0	110.1	L64 A111 V112 Y114	Q58-L64 HydrophobicContact CB-CD2 3.79Å; Q58-L64 HydrophobicContact CG-CD2 3.91Å; Q58-A111 WeakPolarHBondContact O-CA 3.26Å; Q58-A111 VanDerWaalsContact O-CB 3.27Å; Q58-A111 WeakPolarHBondContact O-CB 2.93Å; Q58-V112 PolarHBondContact N-O 3.06Å; Q58-V112 PolarHBondContact O-N 2.87Å; Q58-Y114 HydrophobicContact CB-CD2 4.42Å; Q58-Y114 HydrophobicContact CB-CE2 3.89Å; Q58-Y114 PolarHBondContact OE1-OH 3.4Å
59	R	94.7	Very high	96.9	Very high	51 Å²	51	55.8 Å²	55.8	19%	0.192	32%	0.316	C	S	.	.			trans	-88.2	149.7	171.9	-61	-171.6	-169.3	85.1	-2.6	110.3	G61 Q62 E65 E108 A111	R59-G61 PolarHBondContact O-N 2.84Å; R59-Q62 HydrophobicContact CB-CB 4.04Å; R59-Q62 HydrophobicContact CB-CG 4.06Å; R59-Q62 VanDerWaalsContact NH1-OE1 3.15Å; R59-Q62 PolarHBondContact O-N 3.22Å; R59-E65 IonicContact CZ-OE2 3.29Å; R59-E65 IonicContact NH1-OE2 2.83Å; R59-E65 PolarHBondContact NH1-OE2 3.08Å; R59-E65 IonicContact NH2-OE2 3.66Å; R59-E108 PolarHBondContact NE-O 3.01Å; R59-A111 HydrophobicContact CG-CB 4.14Å
60	P	93.6	Very high	97	Very high	114 Å²	114	53.2 Å²	53.2	74%	0.74	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	127.5	172.2	-25	34.5	0	0	0	111.4	Q62	P60-Q62 PolarHBondContact O-N 2.89Å
61	G	94.4	Very high	97	Very high	94 Å²	94	50.8 Å²	50.8	97%	0.969	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	6	179.9	0	0	0	0	0	115.8	R59	R59-G61 PolarHBondContact O-N 2.84Å
62	Q	93.6	Very high	97.1	Very high	109 Å²	109	45.7 Å²	45.7	51%	0.509	26%	0.26	S	S	.	.	S	Bend	trans	-117.1	163.8	175.7	-55.9	-173.9	10.7	0	0	111.5	R59 P60	R59-Q62 HydrophobicContact CB-CB 4.04Å; R59-Q62 HydrophobicContact CB-CG 4.06Å; R59-Q62 VanDerWaalsContact NH1-OE1 3.15Å; R59-Q62 PolarHBondContact O-N 3.22Å; P60-Q62 PolarHBondContact O-N 2.89Å
63	G	92.6	Very high	97.1	Very high	58 Å²	58	44 Å²	44	60%	0.598	26%	0.264	S	S	*	.			trans	-68.4	176	173.5	0	0	0	0	0	113.5
64	L	96.6	Very high	97	Very high	119 Å²	119	49.4 Å²	49.4	62%	0.623	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	132.8	171.6	-65.6	174.3	0	0	0	110.2	V56 Q58	V56-L64 HydrophobicContact CG1-CB 3.8Å; V56-L64 HydrophobicContact CG1-CD2 3.9Å; V56-L64 HydrophobicContact CG1-CG 4.31Å; Q58-L64 HydrophobicContact CB-CD2 3.79Å; Q58-L64 HydrophobicContact CG-CD2 3.91Å
65	E	97.6	Very high	97	Very high	27 Å²	27	48.2 Å²	48.2	13%	0.126	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	115.3	177.2	-170.7	169.8	-149.6	0	0	109.4	K57 R59 I67 K82 F83	K57-E65 HydrophobicContact CB-CB 4.44Å; K57-E65 PolarHBondContact N-O 3.44Å; K57-E65 PolarHBondContact O-N 3.22Å; R59-E65 IonicContact CZ-OE2 3.29Å; R59-E65 IonicContact NH1-OE2 2.83Å; R59-E65 PolarHBondContact NH1-OE2 3.08Å; R59-E65 IonicContact NH2-OE2 3.66Å; E65-I67 PolarHBondContact O-N 2.83Å; E65-K82 WeakPolarHBondContact OE1-CD 3.34Å; E65-K82 IonicContact OE1-NZ 3Å; E65-K82 PolarHBondContact OE1-NZ 3.23Å; E65-F83 HydrophobicContact CG-CE2 3.79Å; E65-F83 HydrophobicContact CG-CZ 4.14Å
66	W	98.1	Very high	97	Very high	88 Å²	88	49.6 Å²	49.6	33%	0.333	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.3	177.9	-178.3	74.6	0	0	0	110.5	H54 G68 N69 N78 N80	H54-W66 AromaticContact ND1-NE1 3.37Å; H54-W66 PolarHBondContact ND1-NE1 2.96Å; W66-G68 VanDerWaalsContact CE2-C 3.44Å; W66-G68 PolarHBondContact NE1-O 2.95Å; W66-G68 VanDerWaalsContact NE1-O 3.13Å; W66-N69 HydrophobicContact CZ2-CB 4.04Å; W66-N78 HydrophobicContact CH2-CB 4.12Å; W66-N80 HydrophobicContact CE3-CB 3.87Å; W66-N80 HydrophobicContact CZ3-CB 4.1Å; W66-N80 WeakPolarHBondContact O-CB 3.31Å; W66-N80 PolarHBondContact O-ND2 3.08Å
67	I	98.4	Very high	97	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-47.8	-178.3	-60.3	173.6	0	0	0	110.5	W55 K57 E65 N80 F83 A87 M100 Y113	W55-I67 HydrophobicContact CB-CB 4.18Å; W55-I67 HydrophobicContact CB-CD1 4.33Å; W55-I67 WeakPolarHBondContact O-CB 3.38Å; W55-I67 PolarHBondContact O-N 2.64Å; K57-I67 HydrophobicContact CB-CD1 4.02Å; K57-I67 HydrophobicContact CB-CG1 4.16Å; E65-I67 PolarHBondContact O-N 2.83Å; I67-N80 PolarHBondContact O-N 2.84Å; I67-F83 HydrophobicContact CB-CD2 4.39Å; I67-F83 HydrophobicContact CB-CG 4.31Å; I67-F83 HydrophobicContact CG1-CD1 4.24Å; I67-F83 HydrophobicContact CG1-CD2 4.33Å; I67-F83 HydrophobicContact CG1-CE1 4.18Å; I67-F83 HydrophobicContact CG1-CE2 4.28Å; I67-F83 HydrophobicContact CG1-CG 4.31Å; I67-F83 HydrophobicContact CG1-CZ 4.2Å; I67-F83 HydrophobicContact CG2-CB 3.77Å; I67-F83 HydrophobicContact CG2-CD1 4.08Å; I67-F83 HydrophobicContact CG2-CD2 4.36Å; I67-F83 HydrophobicContact CG2-CG 3.81Å; I67-A87 HydrophobicContact CG2-CB 3.84Å; I67-M100 HydrophobicContact CB-SD 4.46Å; I67-M100 HydrophobicContact CD1-CE 3.79Å; I67-M100 HydrophobicContact CD1-SD 3.6Å; I67-M100 HydrophobicContact CG2-SD 3.85Å; I67-Y113 HydrophobicContact CD1-CD1 3.67Å; I67-Y113 HydrophobicContact CD1-CE1 3.7Å
68	G	98.5	Very high	97	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.7	176.7	-170.7	0	0	0	0	0	112.5	W55 W66 N78	W55-G68 PolarHBondContact N-O 2.94Å; W66-G68 VanDerWaalsContact CE2-C 3.44Å; W66-G68 PolarHBondContact NE1-O 2.95Å; W66-G68 VanDerWaalsContact NE1-O 3.13Å; G68-N78 CarbonylContact C-O 3.56Å; G68-N78 WeakPolarHBondContact CA-O 3.46Å
69	N	98.7	Very high	97.1	Very high	19 Å²	19	54 Å²	54	10%	0.102	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	158.7	169.2	66	22.2	0	0	0	111.7	W52 M53 H54 W66 T77 N78 L89	W52-N69 HydrophobicContact CE3-CB 4.14Å; W52-N69 VanDerWaalsContact CE3-OD1 3.29Å; W52-N69 VanDerWaalsContact CZ3-OD1 3.3Å; W52-N69 WeakPolarHBondContact CZ3-OD1 3.41Å; M53-N69 CarbonylContact O-C 3.55Å; M53-N69 WeakPolarHBondContact O-CA 3.14Å; M53-N69 WeakPolarHBondContact O-CB 3.49Å; H54-N69 PolarHBondContact CE1-ND2 2.81Å; W66-N69 HydrophobicContact CZ2-CB 4.04Å; N69-T77 CarbonylContact O-C 3.55Å; N69-T77 VanDerWaalsContact O-CA 3.27Å; N69-T77 WeakPolarHBondContact O-CA 2.98Å; N69-N78 PolarHBondContact N-O 3.42Å; N69-N78 PolarHBondContact O-N 2.9Å; N69-N78 WeakPolarHBondContact OD1-CB 3.36Å; N69-N78 PolarHBondContact OD1-ND2 3.42Å; N69-L89 WeakPolarHBondContact O-CD1 3.38Å
70	I	98.7	Very high	97.2	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.3	173.7	-175.1	165.9	0	0	0	109.5	M53 P72 G76 T77 L89 V91	M53-I70 HydrophobicContact CB-CG2 3.92Å; M53-I70 PolarHBondContact N-O 3.49Å; M53-I70 PolarHBondContact O-N 2.97Å; I70-P72 VanDerWaalsContact O-CD 3.26Å; I70-P72 WeakPolarHBondContact O-CD 3.42Å; I70-G76 CarbonylContact C-O 3.57Å; I70-G76 WeakPolarHBondContact CA-O 3.46Å; I70-T77 HydrophobicContact CB-CG2 4.06Å; I70-T77 HydrophobicContact CD1-CG2 3.92Å; I70-T77 HydrophobicContact CG1-CG2 3.84Å; I70-L89 HydrophobicContact CB-CB 4.07Å; I70-L89 HydrophobicContact CB-CD1 4.33Å; I70-L89 HydrophobicContact CD1-CB 4.23Å; I70-L89 HydrophobicContact CG2-CB 4.43Å; I70-V91 HydrophobicContact CD1-CB 4.03Å; I70-V91 HydrophobicContact CD1-CG1 4.12Å
71	N	98.4	Very high	97.4	Very high	27 Å²	27	54.4 Å²	54.4	14%	0.144	33%	0.329	C	S	.	.			trans	-84.2	110.4	170.5	-176.9	-19.2	0	0	0	108.8	W52 S73 N74 G75 G76	W52-N71 HydrophobicContact CD2-CB 3.84Å; W52-N71 HydrophobicContact CE3-CB 3.7Å; W52-N71 HydrophobicContact CH2-CB 3.59Å; W52-N71 HydrophobicContact CZ2-CB 3.7Å; W52-N71 HydrophobicContact CZ3-CB 3.58Å; N71-S73 PolarHBondContact O-N 3.42Å; N71-S73 VanDerWaalsContact O-N 3.15Å; N71-S73 WeakPolarHBondContact OD1-CA 3.19Å; N71-S73 WeakPolarHBondContact OD1-CB 3.29Å; N71-S73 PolarHBondContact OD1-N 2.61Å; N71-N74 WeakPolarHBondContact CB-OD1 3.38Å; N71-N74 PolarHBondContact ND2-OD1 2.8Å; N71-N74 PolarHBondContact O-N 3.04Å; N71-G75 VanDerWaalsContact O-CA 3.31Å; N71-G75 WeakPolarHBondContact O-CA 3.48Å; N71-G75 PolarHBondContact O-N 2.92Å; N71-G76 PolarHBondContact N-O 2.84Å
72	P	98.4	Very high	97.5	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.7	-178.5	-20.8	35.6	0	0	0	113.1	F48 Y51 I70 V91 K93	F48-P72 HydrophobicContact CD1-CB 3.92Å; F48-P72 HydrophobicContact CD2-CB 4.47Å; F48-P72 HydrophobicContact CD2-CG 4.34Å; F48-P72 HydrophobicContact CE1-CB 3.65Å; F48-P72 HydrophobicContact CE1-CG 4.27Å; F48-P72 HydrophobicContact CE2-CB 4.2Å; F48-P72 HydrophobicContact CE2-CG 3.93Å; F48-P72 HydrophobicContact CG-CB 4.35Å; F48-P72 HydrophobicContact CZ-CB 3.79Å; F48-P72 HydrophobicContact CZ-CG 3.9Å; Y51-P72 WeakPolarHBondContact O-CD 3.2Å; Y51-P72 VanDerWaalsContact O-CG 3.23Å; Y51-P72 WeakPolarHBondContact O-CG 3.32Å; I70-P72 VanDerWaalsContact O-CD 3.26Å; I70-P72 WeakPolarHBondContact O-CD 3.42Å; P72-V91 HydrophobicContact CB-CG2 3.94Å; P72-K93 WeakPolarHBondContact O-CE 3.42Å; P72-K93 WeakPolarHBondContact O-CG 3.36Å
73	S	98	Very high	97.6	Very high	62 Å²	62	52.1 Å²	52.1	43%	0.434	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-42.2	178	-172.6	0	0	0	0	113.1	T49 N71 K93	T49-S73 WeakPolarHBondContact O-CB 3.44Å; N71-S73 PolarHBondContact O-N 3.42Å; N71-S73 VanDerWaalsContact O-N 3.15Å; N71-S73 WeakPolarHBondContact OD1-CA 3.19Å; N71-S73 WeakPolarHBondContact OD1-CB 3.29Å; N71-S73 PolarHBondContact OD1-N 2.61Å; S73-K93 WeakPolarHBondContact O-CE 3.37Å; S73-K93 PolarHBondContact O-NZ 3.24Å
74	N	97.5	Very high	97.8	Very high	114 Å²	114	54.7 Å²	54.7	61%	0.61	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.5	-2.9	-173.7	66.8	9.5	0	0	0	114.7	N71 G76	N71-N74 WeakPolarHBondContact CB-OD1 3.38Å; N71-N74 PolarHBondContact ND2-OD1 2.8Å; N71-N74 PolarHBondContact O-N 3.04Å; N74-G76 VanDerWaalsContact C-N 3.27Å; N74-G76 PolarHBondContact O-N 3.11Å; N74-G76 PolarHBondContact OD1-N 2.83Å
75	G	97.8	Very high	97.7	Very high	31 Å²	31	54.3 Å²	54.3	32%	0.32	29%	0.293	S	S	.	.			trans	77.6	6.2	-179	0	0	0	0	0	114.6	N71 T77	N71-G75 VanDerWaalsContact O-CA 3.31Å; N71-G75 WeakPolarHBondContact O-CA 3.48Å; N71-G75 PolarHBondContact O-N 2.92Å; G75-T77 PolarHBondContact O-N 2.83Å
76	G	98.3	Very high	97.7	Very high	30 Å²	30	55 Å²	55	31%	0.309	30%	0.295	S	S	.	.			trans	-62.7	134.2	176.5	0	0	0	0	0	111.5	W52 I70 N71 N74	W52-G76 WeakPolarHBondContact CZ3-O 3.43Å; I70-G76 CarbonylContact C-O 3.57Å; I70-G76 WeakPolarHBondContact CA-O 3.46Å; N71-G76 PolarHBondContact N-O 2.84Å; N74-G76 VanDerWaalsContact C-N 3.27Å; N74-G76 PolarHBondContact O-N 3.11Å; N74-G76 PolarHBondContact OD1-N 2.83Å
77	T	98.6	Very high	97.7	Very high	53 Å²	53	50.9 Å²	50.9	33%	0.325	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.1	-174.9	55.9	0	0	0	0	112.2	N69 I70 G75 Y79 L89	N69-T77 CarbonylContact O-C 3.55Å; N69-T77 VanDerWaalsContact O-CA 3.27Å; N69-T77 WeakPolarHBondContact O-CA 2.98Å; I70-T77 HydrophobicContact CB-CG2 4.06Å; I70-T77 HydrophobicContact CD1-CG2 3.92Å; I70-T77 HydrophobicContact CG1-CG2 3.84Å; G75-T77 PolarHBondContact O-N 2.83Å; T77-Y79 HydrophobicContact CG2-CE2 4.46Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.23Å; T77-L89 HydrophobicContact CG2-CB 3.93Å
78	N	98.4	Very high	97.7	Very high	84 Å²	84	54.4 Å²	54.4	45%	0.449	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.1	164.9	-55.8	-72.5	0	0	0	109.6	W66 G68 N69	W66-N78 HydrophobicContact CH2-CB 4.12Å; G68-N78 CarbonylContact C-O 3.56Å; G68-N78 WeakPolarHBondContact CA-O 3.46Å; N69-N78 PolarHBondContact N-O 3.42Å; N69-N78 PolarHBondContact O-N 2.9Å; N69-N78 WeakPolarHBondContact OD1-CB 3.36Å; N69-N78 PolarHBondContact OD1-ND2 3.42Å
79	Y	98.5	Very high	97.7	Very high	52 Å²	52	54.8 Å²	54.8	20%	0.204	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.9	-178.8	-64.6	-90.4	0	0	0	110.7	T77 A87 L89	T77-Y79 HydrophobicContact CG2-CE2 4.46Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.23Å; Y79-A87 HydrophobicContact CD1-CB 4.35Å; Y79-A87 HydrophobicContact CE1-CB 4.12Å; Y79-A87 WeakPolarHBondContact CE1-O 3.18Å; Y79-L89 HydrophobicContact CE1-CD1 4.09Å; Y79-L89 HydrophobicContact CE1-CG 3.7Å; Y79-L89 PolarHBondContact OH-N 2.91Å
80	N	97.5	Very high	97.7	Very high	43 Å²	43	56.8 Å²	56.8	23%	0.23	32%	0.317	C	S	.	.			trans	-70.1	133.4	154.7	-179.8	-27.6	0	0	0	108.3	W66 I67 K82 F83 K84	W66-N80 HydrophobicContact CE3-CB 3.87Å; W66-N80 HydrophobicContact CZ3-CB 4.1Å; W66-N80 WeakPolarHBondContact O-CB 3.31Å; W66-N80 PolarHBondContact O-ND2 3.08Å; I67-N80 PolarHBondContact O-N 2.84Å; N80-K82 PolarHBondContact O-N 3.06Å; N80-K82 VanDerWaalsContact O-N 3.08Å; N80-K82 PolarHBondContact OD1-N 3.27Å; N80-K82 VanDerWaalsContact OD1-N 3.08Å; N80-F83 HydrophobicContact CB-CD2 4.08Å; N80-F83 PolarHBondContact O-N 3.29Å; N80-K84 PolarHBondContact O-N 2.83Å
81	E	97.3	Very high	97.7	Very high	131 Å²	131	58.5 Å²	58.5	61%	0.612	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-31.9	-177	-70.9	-61.9	147.8	0	0	112.9	F83 K84	E81-F83 PolarHBondContact O-N 2.85Å; E81-K84 PolarHBondContact O-N 2.8Å; E81-K84 IonicContact OE1-NZ 2.81Å; E81-K84 PolarHBondContact OE1-NZ 3.5Å; E81-K84 VanDerWaalsContact OE2-CD 3.23Å; E81-K84 WeakPolarHBondContact OE2-CD 3.27Å; E81-K84 IonicContact OE2-NZ 3.59Å; E81-K84 PolarHBondContact OE2-NZ 2.96Å
82	K	95.3	Very high	97.7	Very high	147 Å²	147	59.7 Å²	59.7	64%	0.639	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.7	175.5	-67.2	-176.1	-175	179.1	0	114.4	E65 N80	E65-K82 WeakPolarHBondContact OE1-CD 3.34Å; E65-K82 IonicContact OE1-NZ 3Å; E65-K82 PolarHBondContact OE1-NZ 3.23Å; N80-K82 PolarHBondContact O-N 3.06Å; N80-K82 VanDerWaalsContact O-N 3.08Å; N80-K82 PolarHBondContact OD1-N 3.27Å; N80-K82 VanDerWaalsContact OD1-N 3.08Å
83	F	96.8	Very high	97.6	Very high	7 Å²	7	65 Å²	65	3%	0.031	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-7.4	-175	-65.5	-86.5	0	0	0	113.2	K57 E65 I67 N80 E81 S85 K86 A87	K57-F83 HydrophobicContact CD-CE1 4.03Å; K57-F83 HydrophobicContact CD-CZ 3.94Å; E65-F83 HydrophobicContact CG-CE2 3.79Å; E65-F83 HydrophobicContact CG-CZ 4.14Å; I67-F83 HydrophobicContact CB-CD2 4.39Å; I67-F83 HydrophobicContact CB-CG 4.31Å; I67-F83 HydrophobicContact CG1-CD1 4.24Å; I67-F83 HydrophobicContact CG1-CD2 4.33Å; I67-F83 HydrophobicContact CG1-CE1 4.18Å; I67-F83 HydrophobicContact CG1-CE2 4.28Å; I67-F83 HydrophobicContact CG1-CG 4.31Å; I67-F83 HydrophobicContact CG1-CZ 4.2Å; I67-F83 HydrophobicContact CG2-CB 3.77Å; I67-F83 HydrophobicContact CG2-CD1 4.08Å; I67-F83 HydrophobicContact CG2-CD2 4.36Å; I67-F83 HydrophobicContact CG2-CG 3.81Å; N80-F83 HydrophobicContact CB-CD2 4.08Å; N80-F83 PolarHBondContact O-N 3.29Å; E81-F83 PolarHBondContact O-N 2.85Å; F83-S85 PolarHBondContact O-N 2.86Å; F83-S85 VanDerWaalsContact O-N 3.17Å; F83-K86 PolarHBondContact O-N 2.86Å; F83-A87 HydrophobicContact CB-CB 4.18Å; F83-A87 PolarHBondContact O-N 2.91Å
84	K	95.7	Very high	97.5	Very high	113 Å²	113	67.2 Å²	67.2	49%	0.491	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.5	-173.6	-168.4	176	-171.6	172.7	0	114.1	N80 E81	N80-K84 PolarHBondContact O-N 2.83Å; E81-K84 PolarHBondContact O-N 2.8Å; E81-K84 IonicContact OE1-NZ 2.81Å; E81-K84 PolarHBondContact OE1-NZ 3.5Å; E81-K84 VanDerWaalsContact OE2-CD 3.23Å; E81-K84 WeakPolarHBondContact OE2-CD 3.27Å; E81-K84 IonicContact OE2-NZ 3.59Å; E81-K84 PolarHBondContact OE2-NZ 2.96Å
85	S	95.8	Very high	97.5	Very high	111 Å²	111	63.5 Å²	63.5	78%	0.776	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-10.6	176.2	59	0	0	0	0	114.1	F83	F83-S85 PolarHBondContact O-N 2.86Å; F83-S85 VanDerWaalsContact O-N 3.17Å
86	K	96.7	Very high	97.6	Very high	40 Å²	40	63.9 Å²	63.9	17%	0.174	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-32.2	-167.9	-166.6	164.4	-174.7	153	0	113.7	F83 L102 S103 S104 D109	F83-K86 PolarHBondContact O-N 2.86Å; K86-L102 WeakPolarHBondContact O-CA 3.43Å; K86-S103 WeakPolarHBondContact CE-O 3.38Å; K86-S103 VanDerWaalsContact CG-O 3.3Å; K86-S103 WeakPolarHBondContact CG-O 3.38Å; K86-S103 PolarHBondContact O-N 2.81Å; K86-S103 PolarHBondContact O-OG 2.87Å; K86-S104 PolarHBondContact NZ-O 3.37Å; K86-S104 VanDerWaalsContact NZ-O 3.15Å; K86-D109 WeakPolarHBondContact CE-OD2 3.49Å; K86-D109 IonicContact NZ-OD1 2.58Å; K86-D109 IonicContact NZ-OD2 3.69Å; K86-D109 PolarHBondContact NZ-OD2 3.08Å
87	A	98.1	Very high	97.6	Very high	3 Å²	3	62.8 Å²	62.8	3%	0.025	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	139.5	-178.5	0	0	0	0	0	111	I67 Y79 F83 Q101 L102	I67-A87 HydrophobicContact CG2-CB 3.84Å; Y79-A87 HydrophobicContact CD1-CB 4.35Å; Y79-A87 HydrophobicContact CE1-CB 4.12Å; Y79-A87 WeakPolarHBondContact CE1-O 3.18Å; F83-A87 HydrophobicContact CB-CB 4.18Å; F83-A87 PolarHBondContact O-N 2.91Å; A87-Q101 CarbonylContact C-O 3.43Å; A87-Q101 VanDerWaalsContact CA-O 3.32Å; A87-Q101 WeakPolarHBondContact CA-O 3.02Å; A87-L102 HydrophobicContact CB-CD2 3.78Å
88	T	98.5	Very high	97.6	Very high	74 Å²	74	60.3 Å²	60.3	45%	0.454	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	119.4	169.1	-58	0	0	0	0	108.8	T90 Q101	T88-T90 HydrophobicContact CG2-CG2 4.33Å; T88-Q101 PolarHBondContact N-O 3.13Å; T88-Q101 PolarHBondContact O-N 3.01Å
89	L	98.7	Very high	97.6	Very high	8 Å²	8	58.9 Å²	58.9	4%	0.042	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133.3	178.9	-52.6	-176.5	0	0	0	110.2	W55 N69 I70 T77 Y79 Y99 M100	W55-L89 HydrophobicContact CG-CD2 4.11Å; N69-L89 WeakPolarHBondContact O-CD1 3.38Å; I70-L89 HydrophobicContact CB-CB 4.07Å; I70-L89 HydrophobicContact CB-CD1 4.33Å; I70-L89 HydrophobicContact CD1-CB 4.23Å; I70-L89 HydrophobicContact CG2-CB 4.43Å; T77-L89 HydrophobicContact CG2-CB 3.93Å; Y79-L89 HydrophobicContact CE1-CD1 4.09Å; Y79-L89 HydrophobicContact CE1-CG 3.7Å; Y79-L89 PolarHBondContact OH-N 2.91Å; L89-Y99 WeakPolarHBondContact CA-O 3.49Å; L89-M100 HydrophobicContact CD2-CB 3.69Å; L89-M100 HydrophobicContact CD2-CG 3.61Å; L89-M100 HydrophobicContact CD2-SD 4.12Å
90	T	98.5	Very high	97.6	Very high	60 Å²	60	56.4 Å²	56.4	37%	0.368	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	164.4	177.1	57.6	0	0	0	0	110.6	T88 Y99	T88-T90 HydrophobicContact CG2-CG2 4.33Å; T90-Y99 PolarHBondContact N-O 3.49Å; T90-Y99 PolarHBondContact O-N 2.93Å
91	V	98.4	Very high	97.6	Very high	38 Å²	38	58.4 Å²	58.4	23%	0.23	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.9	-178.5	63.8	0	0	0	0	110.9	F48 I70 P72 K93	F48-V91 HydrophobicContact CE1-CG2 3.41Å; F48-V91 VanDerWaalsContact CE1-CG2 3.41Å; F48-V91 HydrophobicContact CZ-CG2 3.73Å; I70-V91 HydrophobicContact CD1-CB 4.03Å; I70-V91 HydrophobicContact CD1-CG1 4.12Å; P72-V91 HydrophobicContact CB-CG2 3.94Å; V91-K93 HydrophobicContact CG2-CG 4.41Å
92	D	98	Very high	97.6	Very high	53 Å²	53	52.2 Å²	52.2	28%	0.283	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	103.8	162.2	175.6	10	0	0	0	108.5	S94 S95 S96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.27Å; D92-S94 PolarHBondContact O-N 2.91Å; D92-S94 WeakPolarHBondContact OD1-CB 3.12Å; D92-S94 PolarHBondContact OD1-N 3.43Å; D92-S94 PolarHBondContact OD1-OG 3.39Å; D92-S94 PolarHBondContact OD2-OG 2.92Å; D92-S95 VanDerWaalsContact OD2-CB 3.29Å; D92-S95 WeakPolarHBondContact OD2-CB 3.28Å; D92-S95 PolarHBondContact OD2-OG 3Å; D92-S96 PolarHBondContact O-N 2.98Å; D92-T97 PolarHBondContact N-O 2.95Å; D92-T97 PolarHBondContact O-N 2.02Å; D92-Y99 HydrophobicContact CB-CE2 3.94Å
93	K	97	Very high	97.7	Very high	110 Å²	110	46.9 Å²	46.9	48%	0.478	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-31.7	-179.8	-65.7	174.4	176.6	172.3	0	112.2	T49 P72 S73 V91 S95 S96	T49-K93 HydrophobicContact CG2-CG 4.48Å; P72-K93 WeakPolarHBondContact O-CE 3.42Å; P72-K93 WeakPolarHBondContact O-CG 3.36Å; S73-K93 WeakPolarHBondContact O-CE 3.37Å; S73-K93 PolarHBondContact O-NZ 3.24Å; V91-K93 HydrophobicContact CG2-CG 4.41Å; K93-S95 VanDerWaalsContact C-N 3.33Å; K93-S95 PolarHBondContact O-N 2.84Å; K93-S96 PolarHBondContact O-N 3.35Å
94	S	96.8	Very high	97.7	Very high	109 Å²	109	50.3 Å²	50.3	76%	0.762	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-34.6	-174.2	72.6	0	0	0	0	111.9	D92	D92-S94 VanDerWaalsContact C-N 3.27Å; D92-S94 PolarHBondContact O-N 2.91Å; D92-S94 WeakPolarHBondContact OD1-CB 3.12Å; D92-S94 PolarHBondContact OD1-N 3.43Å; D92-S94 PolarHBondContact OD1-OG 3.39Å; D92-S94 PolarHBondContact OD2-OG 2.92Å
95	S	97.6	Very high	97.8	Very high	37 Å²	37	45.4 Å²	45.4	26%	0.259	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	3.2	178.5	67.7	0	0	0	0	113.9	D92 K93 T97	D92-S95 VanDerWaalsContact OD2-CB 3.29Å; D92-S95 WeakPolarHBondContact OD2-CB 3.28Å; D92-S95 PolarHBondContact OD2-OG 3Å; K93-S95 VanDerWaalsContact C-N 3.33Å; K93-S95 PolarHBondContact O-N 2.84Å; S95-T97 PolarHBondContact O-N 2.68Å; S95-T97 PolarHBondContact O-OG1 3.46Å; S95-T97 VanDerWaalsContact O-OG1 3.11Å; S95-T97 WeakPolarHBondContact OG-CB 3.49Å; S95-T97 PolarHBondContact OG-OG1 3.37Å
96	S	98.1	Very high	97.7	Very high	38 Å²	38	43.2 Å²	43.2	27%	0.266	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	42.7	-171.4	-63.3	0	0	0	0	113	A43 F48 D92 K93	A43-S96 PolarHBondContact N-O 2.86Å; A43-S96 WeakPolarHBondContact O-CB 3.43Å; F48-S96 VanDerWaalsContact CD1-CA 3.47Å; D92-S96 PolarHBondContact O-N 2.98Å; K93-S96 PolarHBondContact O-N 3.35Å
97	T	98.5	Very high	97.6	Very high	8 Å²	8	46.3 Å²	46.3	5%	0.049	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.8	-174.5	-52.8	0	0	0	0	111	C41 D92 S95 Y99	C41-T97 WeakPolarHBondContact O-CA 3.34Å; D92-T97 PolarHBondContact N-O 2.95Å; D92-T97 PolarHBondContact O-N 2.02Å; S95-T97 PolarHBondContact O-N 2.68Å; S95-T97 PolarHBondContact O-OG1 3.46Å; S95-T97 VanDerWaalsContact O-OG1 3.11Å; S95-T97 WeakPolarHBondContact OG-CB 3.49Å; S95-T97 PolarHBondContact OG-OG1 3.37Å; T97-Y99 HydrophobicContact CG2-CD1 4.35Å; T97-Y99 HydrophobicContact CG2-CD2 4.28Å; T97-Y99 HydrophobicContact CG2-CE1 3.77Å; T97-Y99 HydrophobicContact CG2-CE2 3.68Å
98	A	98.6	Very high	97.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	146.7	167	0	0	0	0	0	109.7	S40 C41 F48 M53 W55	S40-A98 CarbonylContact C-O 3.51Å; S40-A98 WeakPolarHBondContact CA-O 3.48Å; C41-A98 PolarHBondContact N-O 2.79Å; C41-A98 PolarHBondContact O-N 2.93Å; F48-A98 HydrophobicContact CZ-CB 4.15Å; M53-A98 HydrophobicContact CB-CB 4.05Å; M53-A98 HydrophobicContact CG-CB 3.62Å; W55-A98 HydrophobicContact CZ2-CB 4.4Å
99	Y	98.5	Very high	97.2	Very high	54 Å²	54	49.8 Å²	49.8	21%	0.212	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.9	176.9	-57.2	-91.5	0	0	0	111.1	K38 L39 S40 L89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.35Å; K38-Y99 HydrophobicContact CG-CD1 4.26Å; L39-Y99 CarbonylContact O-C 3.5Å; L39-Y99 WeakPolarHBondContact O-CA 2.99Å; S40-Y99 VanDerWaalsContact CB-CE1 3.45Å; L89-Y99 WeakPolarHBondContact CA-O 3.49Å; T90-Y99 PolarHBondContact N-O 3.49Å; T90-Y99 PolarHBondContact O-N 2.93Å; D92-Y99 HydrophobicContact CB-CE2 3.94Å; T97-Y99 HydrophobicContact CG2-CD1 4.35Å; T97-Y99 HydrophobicContact CG2-CD2 4.28Å; T97-Y99 HydrophobicContact CG2-CE1 3.77Å; T97-Y99 HydrophobicContact CG2-CE2 3.68Å
100	M	98.3	Very high	97	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	118.2	166.8	177.1	175.4	69.6	0	0	108.7	L39 W55 I67 L89 L102 Y113	L39-M100 HydrophobicContact CD1-CE 3.69Å; L39-M100 PolarHBondContact N-O 3.15Å; L39-M100 PolarHBondContact O-N 3.42Å; W55-M100 HydrophobicContact CB-CE 4.5Å; W55-M100 HydrophobicContact CB-SD 3.79Å; W55-M100 HydrophobicContact CD2-CB 3.61Å; W55-M100 HydrophobicContact CD2-CE 4.15Å; W55-M100 HydrophobicContact CD2-CG 4.39Å; W55-M100 HydrophobicContact CD2-SD 3.99Å; W55-M100 HydrophobicContact CE3-CB 3.88Å; W55-M100 HydrophobicContact CE3-CE 3.61Å; W55-M100 HydrophobicContact CE3-SD 4.09Å; W55-M100 HydrophobicContact CG-CB 4.14Å; W55-M100 HydrophobicContact CG-SD 3.89Å; W55-M100 HydrophobicContact CH2-CB 4.02Å; W55-M100 HydrophobicContact CZ2-CB 3.79Å; W55-M100 HydrophobicContact CZ3-CB 4.07Å; W55-M100 HydrophobicContact CZ3-CE 4.16Å; I67-M100 HydrophobicContact CB-SD 4.46Å; I67-M100 HydrophobicContact CD1-CE 3.79Å; I67-M100 HydrophobicContact CD1-SD 3.6Å; I67-M100 HydrophobicContact CG2-SD 3.85Å; L89-M100 HydrophobicContact CD2-CB 3.69Å; L89-M100 HydrophobicContact CD2-CG 3.61Å; L89-M100 HydrophobicContact CD2-SD 4.12Å; M100-L102 HydrophobicContact CE-CD1 3.94Å; M100-L102 HydrophobicContact CE-CD2 4.37Å; M100-L102 HydrophobicContact CE-CG 4.13Å; M100-L102 HydrophobicContact CG-CD2 4.3Å; M100-L102 HydrophobicContact CG-CG 4.28Å; M100-L102 HydrophobicContact SD-CD2 4.12Å; M100-L102 HydrophobicContact SD-CG 4.39Å; M100-Y113 HydrophobicContact CE-CD1 3.57Å; M100-Y113 HydrophobicContact CE-CE1 4.09Å; M100-Y113 HydrophobicContact CE-CG 4.22Å
101	Q	98.3	Very high	96.9	Very high	86 Å²	86	52.3 Å²	52.3	40%	0.402	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.6	169.3	-176.9	170.4	-35	0	0	109.3	V37 A87 T88	V37-Q101 CarbonylContact O-C 3.59Å; V37-Q101 VanDerWaalsContact O-CA 3.29Å; V37-Q101 WeakPolarHBondContact O-CA 3.13Å; A87-Q101 CarbonylContact C-O 3.43Å; A87-Q101 VanDerWaalsContact CA-O 3.32Å; A87-Q101 WeakPolarHBondContact CA-O 3.02Å; T88-Q101 PolarHBondContact N-O 3.13Å; T88-Q101 PolarHBondContact O-N 3.01Å
102	L	97.8	Very high	96.9	Very high	1 Å²	1	54 Å²	54	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.4	171.2	-62.7	168.6	0	0	0	108.6	S36 V37 K86 A87 M100 L105 Y113	S36-L102 CarbonylContact C-O 3.57Å; S36-L102 WeakPolarHBondContact CA-O 3.34Å; S36-L102 WeakPolarHBondContact CB-O 3.41Å; V37-L102 HydrophobicContact CG1-CB 4.16Å; V37-L102 HydrophobicContact CG1-CD1 4.42Å; V37-L102 PolarHBondContact N-O 2.9Å; V37-L102 PolarHBondContact O-N 2.87Å; K86-L102 WeakPolarHBondContact O-CA 3.43Å; A87-L102 HydrophobicContact CB-CD2 3.78Å; M100-L102 HydrophobicContact CE-CD1 3.94Å; M100-L102 HydrophobicContact CE-CD2 4.37Å; M100-L102 HydrophobicContact CE-CG 4.13Å; M100-L102 HydrophobicContact CG-CD2 4.3Å; M100-L102 HydrophobicContact CG-CG 4.28Å; M100-L102 HydrophobicContact SD-CD2 4.12Å; M100-L102 HydrophobicContact SD-CG 4.39Å; L102-L105 HydrophobicContact CB-CD2 3.69Å; L102-L105 HydrophobicContact CB-CG 4.46Å; L102-L105 HydrophobicContact CD1-CD2 4.24Å; L102-Y113 HydrophobicContact CD1-CD1 4.24Å; L102-Y113 HydrophobicContact CD1-CE1 3.53Å; L102-Y113 HydrophobicContact CD1-CE2 4.22Å
103	S	97.3	Very high	96.8	Very high	34 Å²	34	53 Å²	53	24%	0.238	31%	0.313	C	S	.	.			trans	-105.4	160.5	179.2	59.8	0	0	0	0	112.3	S36 K86 L105	S36-S103 WeakPolarHBondContact OG-CA 3.3Å; K86-S103 WeakPolarHBondContact CE-O 3.38Å; K86-S103 VanDerWaalsContact CG-O 3.3Å; K86-S103 WeakPolarHBondContact CG-O 3.38Å; K86-S103 PolarHBondContact O-N 2.81Å; K86-S103 PolarHBondContact O-OG 2.87Å; S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 2.87Å
104	S	96.6	Very high	96.9	Very high	80 Å²	80	52.4 Å²	52.4	56%	0.559	31%	0.309	S	S	*	.	S	Bend	trans	49.5	51.2	171.8	-55.7	0	0	0	0	113.1	A35 K86	A35-S104 PolarHBondContact O-N 3.46Å; K86-S104 PolarHBondContact NZ-O 3.37Å; K86-S104 VanDerWaalsContact NZ-O 3.15Å
105	L	96.7	Very high	96.9	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.052	28%	0.277	C	S	.	.			trans	-66	142.2	-173.9	-69.2	171.3	0	0	0	112	V31 P33 G34 A35 V37 L102 S103 D109	V31-L105 HydrophobicContact CB-CD1 4.4Å; V31-L105 HydrophobicContact CG2-CD1 3.53Å; P33-L105 CarbonylContact C-O 3.59Å; P33-L105 WeakPolarHBondContact CA-O 3.3Å; G34-L105 PolarHBondContact N-O 3.14Å; A35-L105 WeakPolarHBondContact O-CG 3.39Å; A35-L105 PolarHBondContact O-N 2.79Å; V37-L105 HydrophobicContact CB-CD1 3.96Å; V37-L105 HydrophobicContact CG1-CD1 3.74Å; L102-L105 HydrophobicContact CB-CD2 3.69Å; L102-L105 HydrophobicContact CB-CG 4.46Å; L102-L105 HydrophobicContact CD1-CD2 4.24Å; S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 2.87Å; L105-D109 WeakPolarHBondContact CA-OD2 3.12Å; L105-D109 HydrophobicContact CD2-CB 3.63Å
106	T	95.6	Very high	96.9	Very high	65 Å²	65	48 Å²	48	40%	0.399	28%	0.281	S	S	.	.			trans	-120.2	174.2	174.3	67.1	0	0	0	0	109.9	E108 D109	T106-E108 PolarHBondContact O-N 3.24Å; T106-E108 PolarHBondContact OG1-N 2.76Å; T106-D109 PolarHBondContact N-OD2 2.89Å; T106-D109 WeakPolarHBondContact O-CB 2.91Å; T106-D109 PolarHBondContact O-N 3.02Å; T106-D109 PolarHBondContact OG1-OD2 3.15Å
107	S	93.9	Very high	96.7	Very high	105 Å²	105	51.8 Å²	51.8	73%	0.734	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-57.9	-27.2	173.4	50.2	0	0	0	0	112.8	D109 S110	S107-D109 PolarHBondContact O-N 3.48Å; S107-S110 WeakPolarHBondContact O-CB 3.48Å; S107-S110 PolarHBondContact O-N 3.14Å; S107-S110 VanDerWaalsContact O-N 3.15Å
108	E	93.1	Very high	96.6	Very high	135 Å²	135	54 Å²	54	63%	0.631	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-68.4	-12.7	175.9	-59.1	-178.1	179.2	0	0	113.6	K57 R59 T106	K57-E108 WeakPolarHBondContact CE-O 3.46Å; K57-E108 PolarHBondContact NZ-O 2.97Å; R59-E108 PolarHBondContact NE-O 3.01Å; T106-E108 PolarHBondContact O-N 3.24Å; T106-E108 PolarHBondContact OG1-N 2.76Å
109	D	94.8	Very high	96.5	Very high	15 Å²	15	56.8 Å²	56.8	8%	0.08	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-91.7	-4	174.3	-58.6	-54.6	0	0	0	114.2	K57 K86 L105 T106 S107 A111 Y113	K57-D109 IonicContact NZ-OD1 2.97Å; K57-D109 PolarHBondContact NZ-OD1 3.39Å; K86-D109 WeakPolarHBondContact CE-OD2 3.49Å; K86-D109 IonicContact NZ-OD1 2.58Å; K86-D109 IonicContact NZ-OD2 3.69Å; K86-D109 PolarHBondContact NZ-OD2 3.08Å; L105-D109 WeakPolarHBondContact CA-OD2 3.12Å; L105-D109 HydrophobicContact CD2-CB 3.63Å; T106-D109 PolarHBondContact N-OD2 2.89Å; T106-D109 WeakPolarHBondContact O-CB 2.91Å; T106-D109 PolarHBondContact O-N 3.02Å; T106-D109 PolarHBondContact OG1-OD2 3.15Å; S107-D109 PolarHBondContact O-N 3.48Å; D109-A111 PolarHBondContact O-N 2.93Å; D109-Y113 WeakPolarHBondContact O-CE2 3.43Å; D109-Y113 PolarHBondContact O-OH 3.31Å
110	S	95.4	Very high	96.4	Very high	92 Å²	92	57 Å²	57	64%	0.643	32%	0.323	S	S	*	.			trans	-64.5	103.8	170.5	-174.3	0	0	0	0	109.7	S107	S107-S110 WeakPolarHBondContact O-CB 3.48Å; S107-S110 PolarHBondContact O-N 3.14Å; S107-S110 VanDerWaalsContact O-N 3.15Å
111	A	96.4	Very high	96.3	Very high	29 Å²	29	60.4 Å²	60.4	24%	0.24	34%	0.342	C	S	.	.	S	Bend	trans	-159.3	165.3	-171.2	0	0	0	0	0	110.7	K57 Q58 R59 D109 Y113	K57-A111 HydrophobicContact CD-CB 4.21Å; K57-A111 HydrophobicContact CG-CB 3.54Å; Q58-A111 WeakPolarHBondContact O-CA 3.26Å; Q58-A111 VanDerWaalsContact O-CB 3.27Å; Q58-A111 WeakPolarHBondContact O-CB 2.93Å; R59-A111 HydrophobicContact CG-CB 4.14Å; D109-A111 PolarHBondContact O-N 2.93Å; A111-Y113 HydrophobicContact CB-CD2 4.37Å; A111-Y113 HydrophobicContact CB-CE2 3.86Å; A111-Y113 WeakPolarHBondContact O-CD2 3.4Å
112	V	96.7	Very high	96.1	Very high	74 Å²	74	58.8 Å²	58.8	45%	0.448	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	134.9	161.3	-172	0	0	0	0	108.2	Q58 Y114	Q58-V112 PolarHBondContact N-O 3.06Å; Q58-V112 PolarHBondContact O-N 2.87Å; V112-Y114 HydrophobicContact CB-CE2 3.91Å; V112-Y114 HydrophobicContact CG1-CD1 4.43Å; V112-Y114 HydrophobicContact CG1-CD2 4.21Å; V112-Y114 HydrophobicContact CG1-CE1 3.82Å; V112-Y114 HydrophobicContact CG1-CE2 3.55Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.23Å
113	Y	97.6	Very high	96	Very high	31 Å²	31	62.6 Å²	62.6	12%	0.122	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.8	179	-71.8	-87.9	0	0	0	109.4	Q25 L39 V56 K57 I67 M100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 3.44Å; Q25-Y113 PolarHBondContact OE1-O 2.99Å; L39-Y113 HydrophobicContact CD1-CD1 4.35Å; L39-Y113 HydrophobicContact CD1-CD2 4.08Å; L39-Y113 HydrophobicContact CD1-CG 3.74Å; V56-Y113 WeakPolarHBondContact O-CA 3.27Å; K57-Y113 HydrophobicContact CB-CD1 4.22Å; K57-Y113 HydrophobicContact CB-CE1 3.97Å; K57-Y113 HydrophobicContact CD-CE1 4.02Å; K57-Y113 WeakPolarHBondContact CE-OH 3.22Å; K57-Y113 HydrophobicContact CG-CD1 4.31Å; K57-Y113 HydrophobicContact CG-CE1 3.77Å; I67-Y113 HydrophobicContact CD1-CD1 3.67Å; I67-Y113 HydrophobicContact CD1-CE1 3.7Å; M100-Y113 HydrophobicContact CE-CD1 3.57Å; M100-Y113 HydrophobicContact CE-CE1 4.09Å; M100-Y113 HydrophobicContact CE-CG 4.22Å; L102-Y113 HydrophobicContact CD1-CD1 4.24Å; L102-Y113 HydrophobicContact CD1-CE1 3.53Å; L102-Y113 HydrophobicContact CD1-CE2 4.22Å; D109-Y113 WeakPolarHBondContact O-CE2 3.43Å; D109-Y113 PolarHBondContact O-OH 3.31Å; A111-Y113 HydrophobicContact CB-CD2 4.37Å; A111-Y113 HydrophobicContact CB-CE2 3.86Å; A111-Y113 WeakPolarHBondContact O-CD2 3.4Å
114	Y	97.7	Very high	95.9	Very high	98 Å²	98	64.6 Å²	64.6	38%	0.384	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	139.6	-179.6	-61.7	-79.7	0	0	0	110.6	W55 V56 Q58 V112	W55-Y114 WeakPolarHBondContact CA-O 3.38Å; V56-Y114 PolarHBondContact N-O 3.16Å; V56-Y114 PolarHBondContact O-N 3.17Å; Q58-Y114 HydrophobicContact CB-CD2 4.42Å; Q58-Y114 HydrophobicContact CB-CE2 3.89Å; Q58-Y114 PolarHBondContact OE1-OH 3.4Å; V112-Y114 HydrophobicContact CB-CE2 3.91Å; V112-Y114 HydrophobicContact CG1-CD1 4.43Å; V112-Y114 HydrophobicContact CG1-CD2 4.21Å; V112-Y114 HydrophobicContact CG1-CE1 3.82Å; V112-Y114 HydrophobicContact CG1-CE2 3.55Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.23Å
115	C	98.1	Very high	95.9	Very high	13 Å²	13	63.5 Å²	63.5	9%	0.088	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	144.5	157.7	65.2	0	0	0	0	110.5	Q25 C41 M53 H54 W55	Q25-C115 VanDerWaalsContact CD-SG 3.57Å; Q25-C115 VanDerWaalsContact CG-SG 3.55Å; Q25-C115 PolarHBondContact OE1-SG 3.19Å; C41-C115 HydrophobicContact CB-CB 3.42Å; C41-C115 VanDerWaalsContact CB-CB 3.42Å; C41-C115 WeakPolarHBondContact CB-SG 3.47Å; C41-C115 WeakPolarHBondContact SG-CB 3.33Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 3.47Å; M53-C115 HydrophobicContact CG-CB 4.5Å; M53-C115 HydrophobicContact SD-CB 3.73Å; H54-C115 CarbonylContact O-C 3.52Å; H54-C115 VanDerWaalsContact O-CA 3.28Å; H54-C115 WeakPolarHBondContact O-CA 3.37Å; W55-C115 HydrophobicContact CD2-CB 4.47Å; W55-C115 HydrophobicContact CE3-CB 4.28Å; W55-C115 HydrophobicContact CH2-CB 4.34Å; W55-C115 HydrophobicContact CZ2-CB 4.49Å; W55-C115 HydrophobicContact CZ3-CB 4.22Å
116	A	97.8	Very high	95.8	Very high	41 Å²	41	67.9 Å²	67.9	34%	0.339	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.3	178	0	0	0	0	0	110.4	H54	H54-A116 HydrophobicContact CB-CB 4.4Å; H54-A116 PolarHBondContact N-O 3.23Å; H54-A116 PolarHBondContact O-N 3.25Å
117	R	92.5	Very high	95.8	Very high	117 Å²	117	68.2 Å²	68.2	44%	0.442	38%	0.377	S	S	.	.			trans	-110.8	0	171.3	77.4	171.5	-159.7	175.4	5.6	110.8	V21	V21-R117 VanDerWaalsContact CG1-NH1 3.31Å; V21-R117 VanDerWaalsContact CG2-CZ 3.42Å; V21-R117 VanDerWaalsContact CG2-NH2 3.32Å

Retrieved 117 of 117 residues in 154.7 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).