A0A075B5Q4_MOUSE Loading...

Immunoglobulin heavy variable 5-12

AlphaFold DB , UniProt , Accession A0A075B5Q4, Species MOUSE (Mus musculus, Mouse), Gene Ighv5-12, Length 117 aa.

						>A0A075B5Q4_MOUSE|A0A075B5Q4|Ighv5-12
MNLGLSLIFLVLVLKGVQCEVKLVESGGGLVQPGGSLKLSCAASGFTFSDYYMYWVRQTPEKRLEWVAYISNGGGSTYYPDTVKGRFTISRDNAKNTLYLQMSRLKSEDTAMYYCAR
					

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	54.3	Low	61.9	Low	231 Å²	231	117.1 Å²	117.1	100%	1.138	63%	0.634	S	S	*	*				0	116	0	-87.3	149.2	57.3	0	0	108	L3	M1-L3 PolarHBondContact O-N 3.09Å
2	N	57	Low	61.9	Low	123 Å²	123	117.3 Å²	117.3	66%	0.658	63%	0.633	S	S	*	*			trans	-68.7	112.6	-159.3	-69	-37.7	0	0	0	113.1	G4 L5	N2-G4 PolarHBondContact O-N 2.78Å; N2-G4 VanDerWaalsContact O-N 3.09Å; N2-L5 HydrophobicContact CB-CD1 4.1Å; N2-L5 HydrophobicContact CB-CG 4.3Å; N2-L5 PolarHBondContact O-N 2.75Å; N2-L5 VanDerWaalsContact O-N 3.07Å
3	L	62.6	Low	62.1	Low	145 Å²	145	116 Å²	116	76%	0.759	63%	0.631	S	S	*	*	H	α-helix	trans	-51	-32	172.2	-91	78	0	0	0	112.5	M1 L5 S6 L7	M1-L3 PolarHBondContact O-N 3.09Å; L3-L5 PolarHBondContact O-N 3.37Å; L3-S6 PolarHBondContact O-N 2.91Å; L3-L7 PolarHBondContact O-N 3.44Å
4	G	64.1	Low	61.9	Low	42 Å²	42	117.2 Å²	117.2	43%	0.433	64%	0.636	S	S	.	*	H	α-helix	trans	-63.5	-35.5	178.7	0	0	0	0	0	114.6	N2 L7 I8	N2-G4 PolarHBondContact O-N 2.78Å; N2-G4 VanDerWaalsContact O-N 3.09Å; G4-L7 PolarHBondContact O-N 3.29Å; G4-I8 WeakPolarHBondContact O-CG1 3.16Å; G4-I8 PolarHBondContact O-N 2.69Å
5	L	61.6	Low	61.8	Low	108 Å²	108	121.3 Å²	121.3	57%	0.565	65%	0.646	S	S	*	*	H	α-helix	trans	-71.5	-34.1	177.7	-73.3	167.5	0	0	0	111.5	N2 L3 F9	N2-L5 HydrophobicContact CB-CD1 4.1Å; N2-L5 HydrophobicContact CB-CG 4.3Å; N2-L5 PolarHBondContact O-N 2.75Å; N2-L5 VanDerWaalsContact O-N 3.07Å; L3-L5 PolarHBondContact O-N 3.37Å; L5-F9 PolarHBondContact O-N 3.31Å; L5-F9 VanDerWaalsContact O-N 3.17Å
6	S	67.8	Low	61.8	Low	84 Å²	84	117.4 Å²	117.4	59%	0.587	64%	0.643	S	S	*	*	H	α-helix	trans	-66.9	-38.8	176.6	-178	0	0	0	0	111.9	L3 L10	L3-S6 PolarHBondContact O-N 2.91Å; S6-L10 PolarHBondContact O-N 2.96Å; S6-L10 VanDerWaalsContact O-N 3.1Å
7	L	62.1	Low	62	Low	110 Å²	110	117.3 Å²	117.3	58%	0.576	65%	0.646	S	S	*	*	H	α-helix	trans	-67.4	-40.5	176.8	-74.8	163.3	0	0	0	112.7	L3 G4 L10 V11	L3-L7 PolarHBondContact O-N 3.44Å; G4-L7 PolarHBondContact O-N 3.29Å; L7-L10 PolarHBondContact O-N 2.92Å; L7-V11 WeakPolarHBondContact O-CG2 3.42Å; L7-V11 PolarHBondContact O-N 2.8Å; L7-V11 VanDerWaalsContact O-N 3.1Å
8	I	63.9	Low	62	Low	101 Å²	101	120.7 Å²	120.7	52%	0.518	66%	0.656	S	S	.	*	H	α-helix	trans	-64.7	-43.2	177.6	-67.1	166.3	0	0	0	110.8	G4 L10 V11 L12	G4-I8 WeakPolarHBondContact O-CG1 3.16Å; G4-I8 PolarHBondContact O-N 2.69Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 2.91Å; I8-V11 PolarHBondContact O-N 3.08Å; I8-L12 HydrophobicContact CG2-CD1 4.05Å; I8-L12 WeakPolarHBondContact O-CG 3.25Å; I8-L12 PolarHBondContact O-N 2.8Å; I8-L12 VanDerWaalsContact O-N 3.1Å
9	F	61.2	Low	62.8	Low	151 Å²	151	119.2 Å²	119.2	66%	0.662	66%	0.655	S	S	*	*	H	α-helix	trans	-60.3	-41.8	174.9	-105.1	-88.8	0	0	0	112.2	L5 V11 L12 V13	L5-F9 PolarHBondContact O-N 3.31Å; L5-F9 VanDerWaalsContact O-N 3.17Å; F9-V11 PolarHBondContact O-N 2.68Å; F9-L12 PolarHBondContact O-N 3.41Å; F9-V13 WeakPolarHBondContact O-CG2 3.47Å; F9-V13 PolarHBondContact O-N 2.94Å; F9-V13 VanDerWaalsContact O-N 3.12Å
10	L	62	Low	64.2	Low	112 Å²	112	119.9 Å²	119.9	59%	0.586	65%	0.653	S	S	*	*	H	α-helix	trans	-62.7	-41.5	178.2	-159.9	82	0	0	0	112	S6 L7 I8 V13 L14	S6-L10 PolarHBondContact O-N 2.96Å; S6-L10 VanDerWaalsContact O-N 3.1Å; L7-L10 PolarHBondContact O-N 2.92Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 2.91Å; L10-V13 PolarHBondContact O-N 3.03Å; L10-L14 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 2.96Å
11	V	63.9	Low	65.6	Low	81 Å²	81	117 Å²	117	49%	0.491	64%	0.639	S	S	.	*	H	α-helix	trans	-67	-38.5	178.2	173.9	0	0	0	0	111.8	L7 I8 F9 L14 K15	L7-V11 WeakPolarHBondContact O-CG2 3.42Å; L7-V11 PolarHBondContact O-N 2.8Å; L7-V11 VanDerWaalsContact O-N 3.1Å; I8-V11 PolarHBondContact O-N 3.08Å; F9-V11 PolarHBondContact O-N 2.68Å; V11-L14 PolarHBondContact O-N 3.26Å; V11-K15 WeakPolarHBondContact O-CG 3.5Å; V11-K15 PolarHBondContact O-N 3.34Å
12	L	61.8	Low	67.7	Low	119 Å²	119	110.6 Å²	110.6	62%	0.623	61%	0.605	S	S	*	*	H	α-helix	trans	-67	-38.6	178.1	-73.9	166.4	0	0	0	112.4	I8 F9 L14 K15	I8-L12 HydrophobicContact CG2-CD1 4.05Å; I8-L12 WeakPolarHBondContact O-CG 3.25Å; I8-L12 PolarHBondContact O-N 2.8Å; I8-L12 VanDerWaalsContact O-N 3.1Å; F9-L12 PolarHBondContact O-N 3.41Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-K15 PolarHBondContact O-N 2.99Å
13	V	64.5	Low	69.6	Low	101 Å²	101	106.8 Å²	106.8	61%	0.612	59%	0.585	S	S	*	*	H	α-helix	trans	-66.2	-37.2	176.3	175.7	0	0	0	0	111.4	F9 L10 K15 G16	F9-V13 WeakPolarHBondContact O-CG2 3.47Å; F9-V13 PolarHBondContact O-N 2.94Å; F9-V13 VanDerWaalsContact O-N 3.12Å; L10-V13 PolarHBondContact O-N 3.03Å; V13-K15 VanDerWaalsContact C-N 3.34Å; V13-K15 PolarHBondContact O-N 3.01Å; V13-G16 PolarHBondContact O-N 3.26Å
14	L	60	Low	71.3	Confident	133 Å²	133	104 Å²	104	70%	0.696	57%	0.573	S	S	*	*	H	α-helix	trans	-70.2	-25	179.7	-71.8	168.8	0	0	0	114	L10 V11 L12 G16	L10-L14 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 2.96Å; V11-L14 PolarHBondContact O-N 3.26Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L14-G16 VanDerWaalsContact C-N 3.29Å; L14-G16 PolarHBondContact O-N 3.16Å
15	K	60.3	Low	73	Confident	179 Å²	179	105.2 Å²	105.2	78%	0.778	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-2.3	179	-66.1	-150	177.9	-169.6	0	114.4	V11 L12 V13	V11-K15 WeakPolarHBondContact O-CG 3.5Å; V11-K15 PolarHBondContact O-N 3.34Å; L12-K15 PolarHBondContact O-N 2.99Å; V13-K15 VanDerWaalsContact C-N 3.34Å; V13-K15 PolarHBondContact O-N 3.01Å
16	G	61.1	Low	74.7	Confident	58 Å²	58	102.8 Å²	102.8	60%	0.598	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	-0.7	-169.5	0	0	0	0	0	117.3	V13 L14 Q18	V13-G16 PolarHBondContact O-N 3.26Å; L14-G16 VanDerWaalsContact C-N 3.29Å; L14-G16 PolarHBondContact O-N 3.16Å; G16-Q18 PolarHBondContact O-N 2.9Å; G16-Q18 VanDerWaalsContact O-N 3.15Å
17	V	65.8	Low	76.1	Confident	116 Å²	116	100.5 Å²	100.5	70%	0.703	55%	0.549	S	S	*	.			trans	-89.7	82.4	-177.8	-171.6	0	0	0	0	110.2
18	Q	62.9	Low	77.8	Confident	178 Å²	178	98.2 Å²	98.2	83%	0.832	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-74.7	123.4	162.8	-68.8	-70.3	-44.5	0	0	107.9	G16 E20	G16-Q18 PolarHBondContact O-N 2.9Å; G16-Q18 VanDerWaalsContact O-N 3.15Å; Q18-E20 PolarHBondContact O-N 2.85Å
19	C	76.6	Confident	79.3	Confident	92 Å²	92	96.2 Å²	96.2	62%	0.622	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-69.7	122.9	173.5	-70.4	0	0	0	0	109.7	V21	C19-V21 PolarHBondContact O-N 2.79Å
20	E	91	Very high	80.9	Confident	133 Å²	133	97.8 Å²	97.8	62%	0.621	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-65.4	127.4	172.4	-171.4	-174.5	-178	0	0	109.8	Q18 K22	Q18-E20 PolarHBondContact O-N 2.85Å; E20-K22 HydrophobicContact CG-CG 4.46Å; E20-K22 PolarHBondContact O-N 3.28Å; E20-K22 WeakPolarHBondContact OE2-CE 2.95Å; E20-K22 IonicContact OE2-NZ 2.74Å; E20-K22 PolarHBondContact OE2-NZ 2.97Å
21	V	93.9	Very high	82.5	Confident	61 Å²	61	95.2 Å²	95.2	37%	0.37	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-72.4	125.1	176.4	172.7	0	0	0	0	108.9	C19 S44 F46	C19-V21 PolarHBondContact O-N 2.79Å; V21-S44 WeakPolarHBondContact CA-O 3.46Å; V21-F46 HydrophobicContact CG1-CD1 3.91Å; V21-F46 HydrophobicContact CG1-CE1 4.13Å; V21-F46 HydrophobicContact CG2-CD1 4.47Å
22	K	97.1	Very high	84	Confident	95 Å²	95	98.8 Å²	98.8	41%	0.413	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.4	140.6	177	-55.2	-175.2	178.9	-175.4	0	111	E20 A43 S44	E20-K22 HydrophobicContact CG-CG 4.46Å; E20-K22 PolarHBondContact O-N 3.28Å; E20-K22 WeakPolarHBondContact OE2-CE 2.95Å; E20-K22 IonicContact OE2-NZ 2.74Å; E20-K22 PolarHBondContact OE2-NZ 2.97Å; K22-A43 WeakPolarHBondContact O-CA 3.37Å; K22-S44 PolarHBondContact N-O 3Å; K22-S44 PolarHBondContact O-N 2.92Å
23	L	98.1	Very high	85.5	Confident	44 Å²	44	98.1 Å²	98.1	23%	0.23	57%	0.574	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-129	122.4	170.5	-67.6	-178.1	0	0	0	105.9	A42 A43 F46 M53 C115	L23-A42 WeakPolarHBondContact CA-O 3.5Å; L23-A43 HydrophobicContact CD2-CB 3.6Å; L23-F46 HydrophobicContact CD2-CE1 3.94Å; L23-F46 HydrophobicContact CD2-CZ 3.98Å; L23-M53 HydrophobicContact CD2-CE 4.08Å; L23-C115 WeakPolarHBondContact CD1-O 3.46Å
24	V	98.3	Very high	87.1	Confident	85 Å²	85	95.8 Å²	95.8	52%	0.515	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126	104.6	-173.3	-176.7	0	0	0	0	109.9	C41 A42	V24-C41 WeakPolarHBondContact O-CA 3.28Å; V24-A42 PolarHBondContact N-O 2.93Å; V24-A42 PolarHBondContact O-N 2.71Å
25	E	98.6	Very high	88.9	Confident	69 Å²	69	90.5 Å²	90.5	32%	0.322	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	147.3	178.8	-60.3	86.1	167.5	0	0	113	S40 C41 W55 Y114 C115	E25-S40 CarbonylContact C-O 3.46Å; E25-S40 VanDerWaalsContact CA-O 3.27Å; E25-S40 WeakPolarHBondContact CA-O 3.35Å; E25-C41 HydrophobicContact CG-CB 4.4Å; E25-W55 HydrophobicContact CG-CH2 4.1Å; E25-W55 HydrophobicContact CG-CZ3 3.96Å; E25-Y114 VanDerWaalsContact OE1-CA 3.29Å; E25-Y114 WeakPolarHBondContact OE1-CA 3.43Å; E25-C115 VanDerWaalsContact CD-SG 3.59Å; E25-C115 PolarHBondContact OE1-N 3.09Å; E25-C115 PolarHBondContact OE1-SG 3.07Å
26	S	98.5	Very high	90.7	Very high	56 Å²	56	85.5 Å²	85.5	39%	0.392	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	169.5	-179.9	46	0	0	0	0	111.1	L39 S40	S26-L39 WeakPolarHBondContact O-CA 3.3Å; S26-S40 PolarHBondContact N-O 3.16Å; S26-S40 PolarHBondContact O-N 2.72Å; S26-S40 PolarHBondContact OG-O 3.07Å; S26-S40 PolarHBondContact OG-OG 3.17Å
27	G	97.5	Very high	92.4	Very high	36 Å²	36	84.5 Å²	84.5	37%	0.371	52%	0.516	S	S	.	.			trans	85.6	8.6	179.8	0	0	0	0	0	114.6	L37 L39	G27-L37 VanDerWaalsContact O-CD1 3.24Å; G27-L37 WeakPolarHBondContact O-CD1 3.43Å; G27-L37 WeakPolarHBondContact O-CG 3.26Å; G27-L39 WeakPolarHBondContact O-CD2 3.24Å
28	G	96.3	Very high	93.9	Very high	63 Å²	63	83.9 Å²	83.9	65%	0.649	50%	0.504	S	S	*	.			trans	-66.8	165.1	169.2	0	0	0	0	0	112.4
29	G	95.8	Very high	95.6	Very high	58 Å²	58	75.9 Å²	75.9	60%	0.598	47%	0.467	S	S	*	.			trans	160.4	177.4	176.8	0	0	0	0	0	112.8
30	L	95.8	Very high	96.7	Very high	184 Å²	184	73 Å²	73	96%	0.963	45%	0.448	S	S	*	.			trans	-77.5	135.9	172.7	-65.1	174.3	0	0	0	109.9
31	V	95.4	Very high	97.1	Very high	59 Å²	59	66.6 Å²	66.6	36%	0.358	42%	0.418	S	S	.	.			trans	-133	148.5	175.5	-54.9	0	0	0	0	109.6	L37 L105	V31-L37 HydrophobicContact CG1-CB 4.12Å; V31-L37 HydrophobicContact CG1-CD1 3.89Å; V31-L37 HydrophobicContact CG1-CD2 4.26Å; V31-L37 HydrophobicContact CG1-CG 4.33Å; V31-L105 HydrophobicContact CG1-CD1 4.48Å; V31-L105 HydrophobicContact CG2-CB 4.24Å; V31-L105 HydrophobicContact CG2-CD1 3.76Å
32	Q	94.6	Very high	97.3	Very high	155 Å²	155	66 Å²	66	72%	0.724	42%	0.419	S	S	*	.			trans	-72.3	148.7	170.9	-63.6	-61.1	-25.6	0	0	110.3	G34 G35	Q32-G34 PolarHBondContact O-N 3Å; Q32-G35 WeakPolarHBondContact O-CA 3.34Å; Q32-G35 PolarHBondContact O-N 2.93Å
33	P	94.5	Very high	97.3	Very high	106 Å²	106	61.9 Å²	61.9	69%	0.688	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	137.1	171.1	-26.1	34.9	0	0	0	111.8	G35	P33-G35 PolarHBondContact O-N 2.98Å
34	G	96.8	Very high	97.3	Very high	51 Å²	51	62.5 Å²	62.5	53%	0.526	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-9.8	-173.1	0	0	0	0	0	114.5	Q32 L105	Q32-G34 PolarHBondContact O-N 3Å; G34-L105 PolarHBondContact N-O 2.74Å
35	G	97.7	Very high	97.1	Very high	23 Å²	23	60 Å²	60	24%	0.237	40%	0.402	C	S	.	.			trans	-66.7	-178	177.7	0	0	0	0	0	114.1	Q32 P33 R104 L105	Q32-G35 WeakPolarHBondContact O-CA 3.34Å; Q32-G35 PolarHBondContact O-N 2.93Å; P33-G35 PolarHBondContact O-N 2.98Å; G35-R104 PolarHBondContact O-N 3.34Å; G35-R104 VanDerWaalsContact O-N 3.09Å; G35-L105 PolarHBondContact O-N 3.25Å
36	S	97.8	Very high	96.9	Very high	73 Å²	73	58.1 Å²	58.1	51%	0.51	39%	0.393	S	S	.	.			trans	-130.7	149.7	178.5	-60.4	0	0	0	0	110.4	M102	S36-M102 CarbonylContact C-O 3.53Å; S36-M102 WeakPolarHBondContact CA-O 3.42Å; S36-M102 VanDerWaalsContact CB-O 3.25Å; S36-M102 WeakPolarHBondContact CB-O 3.49Å
37	L	97.4	Very high	96.8	Very high	38 Å²	38	59.2 Å²	59.2	20%	0.199	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	151.6	178.3	-167.4	65	0	0	0	109	G27 V31 L39 Q101 M102 L105	G27-L37 VanDerWaalsContact O-CD1 3.24Å; G27-L37 WeakPolarHBondContact O-CD1 3.43Å; G27-L37 WeakPolarHBondContact O-CG 3.26Å; V31-L37 HydrophobicContact CG1-CB 4.12Å; V31-L37 HydrophobicContact CG1-CD1 3.89Å; V31-L37 HydrophobicContact CG1-CD2 4.26Å; V31-L37 HydrophobicContact CG1-CG 4.33Å; L37-L39 HydrophobicContact CD2-CD2 3.86Å; L37-L39 HydrophobicContact CG-CD2 4.29Å; L37-Q101 PolarHBondContact O-NE2 3.4Å; L37-M102 HydrophobicContact CB-CE 3.79Å; L37-M102 HydrophobicContact CD2-CE 3.72Å; L37-M102 HydrophobicContact CG-CE 4.07Å; L37-M102 PolarHBondContact N-O 3.45Å; L37-M102 PolarHBondContact O-N 3.19Å; L37-L105 HydrophobicContact CB-CD1 3.72Å
38	K	98.4	Very high	96.8	Very high	103 Å²	103	57.6 Å²	57.6	45%	0.448	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	117.3	172.3	-176.1	177.3	175.6	178.9	0	109.2	L100	K38-L100 WeakPolarHBondContact CA-O 3.33Å
39	L	98.7	Very high	96.8	Very high	10 Å²	10	56.7 Å²	56.7	5%	0.052	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	149.7	169.7	-52.3	-177.6	0	0	0	110.1	S26 G27 L37 W55 Y99 L100 M102 Y113	S26-L39 WeakPolarHBondContact O-CA 3.3Å; G27-L39 WeakPolarHBondContact O-CD2 3.24Å; L37-L39 HydrophobicContact CD2-CD2 3.86Å; L37-L39 HydrophobicContact CG-CD2 4.29Å; L39-W55 HydrophobicContact CB-CH2 3.73Å; L39-W55 HydrophobicContact CB-CZ2 4.03Å; L39-W55 HydrophobicContact CB-CZ3 4.31Å; L39-W55 HydrophobicContact CD1-CE3 4.46Å; L39-W55 HydrophobicContact CD1-CH2 4.29Å; L39-W55 HydrophobicContact CD1-CZ3 4.03Å; L39-Y99 VanDerWaalsContact O-CA 3.3Å; L39-Y99 WeakPolarHBondContact O-CA 3.37Å; L39-L100 HydrophobicContact CB-CB 4.24Å; L39-L100 HydrophobicContact CD1-CD2 4.37Å; L39-L100 PolarHBondContact N-O 3.4Å; L39-L100 PolarHBondContact O-N 3.31Å; L39-M102 HydrophobicContact CD1-CE 3.81Å; L39-M102 HydrophobicContact CD1-SD 4.33Å; L39-M102 HydrophobicContact CD2-CE 4.02Å; L39-M102 HydrophobicContact CG-CE 3.61Å; L39-Y113 VanDerWaalsContact CD1-CB 3.46Å; L39-Y113 HydrophobicContact CD1-CD1 4.01Å; L39-Y113 HydrophobicContact CD1-CD2 4.16Å; L39-Y113 HydrophobicContact CD1-CG 3.62Å
40	S	98.8	Very high	96.9	Very high	30 Å²	30	58.9 Å²	58.9	21%	0.21	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.8	170	37.7	0	0	0	0	110.5	E25 S26 L98	E25-S40 CarbonylContact C-O 3.46Å; E25-S40 VanDerWaalsContact CA-O 3.27Å; E25-S40 WeakPolarHBondContact CA-O 3.35Å; S26-S40 PolarHBondContact N-O 3.16Å; S26-S40 PolarHBondContact O-N 2.72Å; S26-S40 PolarHBondContact OG-O 3.07Å; S26-S40 PolarHBondContact OG-OG 3.17Å; S40-L98 CarbonylContact C-O 3.46Å; S40-L98 VanDerWaalsContact CA-O 3.3Å; S40-L98 WeakPolarHBondContact CA-O 3.44Å
41	C	98.8	Very high	96.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	111.5	172.6	162.7	0	0	0	0	109.2	V24 E25 W55 T97 L98 C115	V24-C41 WeakPolarHBondContact O-CA 3.28Å; E25-C41 HydrophobicContact CG-CB 4.4Å; C41-W55 HydrophobicContact CB-CH2 3.91Å; C41-W55 HydrophobicContact CB-CZ2 3.94Å; C41-T97 WeakPolarHBondContact O-CA 3.31Å; C41-L98 HydrophobicContact CB-CB 4.18Å; C41-L98 PolarHBondContact N-O 2.85Å; C41-L98 PolarHBondContact O-N 3.46Å; C41-C115 HydrophobicContact CB-CB 3.47Å; C41-C115 VanDerWaalsContact CB-CB 3.47Å; C41-C115 WeakPolarHBondContact CB-SG 3.38Å; C41-C115 WeakPolarHBondContact SG-CB 3.5Å; C41-C115 CovalentContact SG-SG 2.01Å; C41-C115 PolarHBondContact SG-SG 2.85Å
42	A	98.5	Very high	97.1	Very high	48 Å²	48	56.8 Å²	56.8	40%	0.397	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	126.6	176.3	0	0	0	0	0	109.5	L23 V24	L23-A42 WeakPolarHBondContact CA-O 3.5Å; V24-A42 PolarHBondContact N-O 2.93Å; V24-A42 PolarHBondContact O-N 2.71Å
43	A	98.1	Very high	97.3	Very high	9 Å²	9	49.4 Å²	49.4	7%	0.074	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.6	-177.7	0	0	0	0	0	111.8	K22 L23 F46 F48 N96	K22-A43 WeakPolarHBondContact O-CA 3.37Å; L23-A43 HydrophobicContact CD2-CB 3.6Å; A43-F46 HydrophobicContact CB-CE1 3.82Å; A43-F46 HydrophobicContact CB-CZ 3.72Å; A43-F48 HydrophobicContact CB-CD2 3.49Å; A43-F48 VanDerWaalsContact CB-CD2 3.49Å; A43-F48 HydrophobicContact CB-CE2 3.93Å; A43-F48 HydrophobicContact CB-CG 4.39Å; A43-N96 HydrophobicContact CB-CB 4.48Å; A43-N96 WeakPolarHBondContact CB-O 3.39Å; A43-N96 PolarHBondContact N-O 3.16Å; A43-N96 WeakPolarHBondContact O-CB 2.91Å
44	S	96.9	Very high	97.5	Very high	56 Å²	56	47.8 Å²	47.8	39%	0.392	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	161.4	175.1	66.3	0	0	0	0	112.1	V21 K22 F46	V21-S44 WeakPolarHBondContact CA-O 3.46Å; K22-S44 PolarHBondContact N-O 3Å; K22-S44 PolarHBondContact O-N 2.92Å; S44-F46 WeakPolarHBondContact O-CD1 3.42Å
45	G	95.2	Very high	97.5	Very high	32 Å²	32	45.4 Å²	45.4	33%	0.33	26%	0.258	S	S	.	.	S	Bend	trans	83.9	9.4	178.5	0	0	0	0	0	114.9
46	F	94.6	Very high	97.6	Very high	31 Å²	31	46 Å²	46	14%	0.136	26%	0.257	C	S	.	.	S	Bend	trans	-156.1	162.7	171.7	66	-78.9	0	0	0	110.7	V21 L23 A43 S44 F48 Y51 M53 R117	V21-F46 HydrophobicContact CG1-CD1 3.91Å; V21-F46 HydrophobicContact CG1-CE1 4.13Å; V21-F46 HydrophobicContact CG2-CD1 4.47Å; L23-F46 HydrophobicContact CD2-CE1 3.94Å; L23-F46 HydrophobicContact CD2-CZ 3.98Å; A43-F46 HydrophobicContact CB-CE1 3.82Å; A43-F46 HydrophobicContact CB-CZ 3.72Å; S44-F46 WeakPolarHBondContact O-CD1 3.42Å; F46-F48 HydrophobicContact CE2-CB 4.39Å; F46-F48 HydrophobicContact CE2-CD2 4.16Å; F46-F48 HydrophobicContact CZ-CD2 4.1Å; F46-F48 PolarHBondContact O-N 3.1Å; F46-Y51 HydrophobicContact CB-CE2 4.33Å; F46-Y51 AromaticContact CD2-CD2 3.44Å; F46-Y51 HydrophobicContact CD2-CD2 3.44Å; F46-Y51 VanDerWaalsContact CD2-CD2 3.44Å; F46-Y51 AromaticContact CD2-CE2 3.75Å; F46-Y51 HydrophobicContact CD2-CE2 3.75Å; F46-Y51 HydrophobicContact CD2-CG 4.13Å; F46-Y51 AromaticContact CE2-CD2 3.89Å; F46-Y51 HydrophobicContact CE2-CD2 3.89Å; F46-Y51 HydrophobicContact CE2-CG 4.17Å; F46-Y51 HydrophobicContact CG-CE2 4.46Å; F46-M53 HydrophobicContact CZ-SD 4.45Å; F46-R117 VanDerWaalsContact CB-NH1 3.29Å; F46-R117 HydrophobicContact CE2-CB 4.5Å; F46-R117 VanDerWaalsContact CG-NH1 3.32Å; F46-R117 HydrophobicContact CZ-CB 4.46Å
47	T	95.6	Very high	97.6	Very high	79 Å²	79	43.2 Å²	43.2	49%	0.485	24%	0.235	S	C	.	.			trans	-72	96.3	173	-51.6	0	0	0	0	109.5	S49 D50 Y51	T47-S49 WeakPolarHBondContact CG2-OG 3.33Å; T47-S49 PolarHBondContact O-N 2.79Å; T47-S49 VanDerWaalsContact O-N 3.16Å; T47-D50 WeakPolarHBondContact CB-OD2 3.48Å; T47-D50 HydrophobicContact CG2-CB 4.34Å; T47-D50 VanDerWaalsContact CG2-CG 3.42Å; T47-D50 WeakPolarHBondContact CG2-OD1 3.2Å; T47-D50 VanDerWaalsContact CG2-OD2 3.25Å; T47-D50 WeakPolarHBondContact CG2-OD2 2.99Å; T47-D50 WeakPolarHBondContact O-CB 3.36Å; T47-D50 PolarHBondContact O-N 3Å; T47-Y51 WeakPolarHBondContact O-CD2 3.4Å
48	F	96.9	Very high	97.6	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-54.6	-37.3	-174	179.6	-107	0	0	0	113.5	A43 F46 D50 Y51 M53 R91 N93 N96 L98	A43-F48 HydrophobicContact CB-CD2 3.49Å; A43-F48 VanDerWaalsContact CB-CD2 3.49Å; A43-F48 HydrophobicContact CB-CE2 3.93Å; A43-F48 HydrophobicContact CB-CG 4.39Å; F46-F48 HydrophobicContact CE2-CB 4.39Å; F46-F48 HydrophobicContact CE2-CD2 4.16Å; F46-F48 HydrophobicContact CZ-CD2 4.1Å; F46-F48 PolarHBondContact O-N 3.1Å; F48-D50 PolarHBondContact O-N 3.45Å; F48-Y51 PolarHBondContact O-N 2.8Å; F48-M53 HydrophobicContact CD2-CG 4.47Å; F48-M53 HydrophobicContact CD2-SD 4.08Å; F48-M53 HydrophobicContact CE2-CE 3.88Å; F48-M53 HydrophobicContact CE2-CG 3.72Å; F48-M53 HydrophobicContact CE2-SD 3.69Å; F48-M53 HydrophobicContact CZ-CG 4.04Å; F48-R91 VanDerWaalsContact CD1-NH2 3.26Å; F48-R91 HydrophobicContact CE1-CB 4.13Å; F48-R91 VanDerWaalsContact CE1-NH2 3.28Å; F48-R91 HydrophobicContact CZ-CB 4.24Å; F48-R91 PolarHBondContact O-NH2 2.86Å; F48-N93 VanDerWaalsContact CD1-OD1 3.31Å; F48-N93 WeakPolarHBondContact CD1-OD1 3.29Å; F48-N93 WeakPolarHBondContact CE1-OD1 3.44Å; F48-N96 HydrophobicContact CB-CB 3.97Å; F48-N96 WeakPolarHBondContact CB-OD1 3.34Å; F48-N96 HydrophobicContact CD1-CB 4.46Å; F48-N96 HydrophobicContact CG-CB 4.16Å; F48-L98 HydrophobicContact CZ-CB 4.22Å
49	S	97.2	Very high	97.5	Very high	45 Å²	45	39 Å²	39	32%	0.315	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-66.7	-11.7	179	56.1	0	0	0	0	115.2	T47 N72	T47-S49 WeakPolarHBondContact CG2-OG 3.33Å; T47-S49 PolarHBondContact O-N 2.79Å; T47-S49 VanDerWaalsContact O-N 3.16Å; S49-N72 VanDerWaalsContact O-CB 3.31Å; S49-N72 WeakPolarHBondContact O-CB 3.38Å; S49-N72 PolarHBondContact O-ND2 3.1Å
50	D	96.8	Very high	97.3	Very high	104 Å²	104	42.9 Å²	42.9	56%	0.556	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-91.6	-11.1	-178.1	-63.5	-5.9	0	0	0	112.1	T47 F48	T47-D50 WeakPolarHBondContact CB-OD2 3.48Å; T47-D50 HydrophobicContact CG2-CB 4.34Å; T47-D50 VanDerWaalsContact CG2-CG 3.42Å; T47-D50 WeakPolarHBondContact CG2-OD1 3.2Å; T47-D50 VanDerWaalsContact CG2-OD2 3.25Å; T47-D50 WeakPolarHBondContact CG2-OD2 2.99Å; T47-D50 WeakPolarHBondContact O-CB 3.36Å; T47-D50 PolarHBondContact O-N 3Å; F48-D50 PolarHBondContact O-N 3.45Å
51	Y	97.4	Very high	97.2	Very high	92 Å²	92	48.4 Å²	48.4	36%	0.361	27%	0.265	S	S	.	.	S	Bend	trans	-114.3	142.5	-173	-68.5	-96.9	0	0	0	112.6	F46 T47 F48 N72 R91 R117	F46-Y51 HydrophobicContact CB-CE2 4.33Å; F46-Y51 AromaticContact CD2-CD2 3.44Å; F46-Y51 HydrophobicContact CD2-CD2 3.44Å; F46-Y51 VanDerWaalsContact CD2-CD2 3.44Å; F46-Y51 AromaticContact CD2-CE2 3.75Å; F46-Y51 HydrophobicContact CD2-CE2 3.75Å; F46-Y51 HydrophobicContact CD2-CG 4.13Å; F46-Y51 AromaticContact CE2-CD2 3.89Å; F46-Y51 HydrophobicContact CE2-CD2 3.89Å; F46-Y51 HydrophobicContact CE2-CG 4.17Å; F46-Y51 HydrophobicContact CG-CE2 4.46Å; T47-Y51 WeakPolarHBondContact O-CD2 3.4Å; F48-Y51 PolarHBondContact O-N 2.8Å; Y51-N72 WeakPolarHBondContact O-CA 3.45Å; Y51-R91 PolarHBondContact O-NH1 2.96Å; Y51-R117 HydrophobicContact CD1-CB 4.36Å; Y51-R117 HydrophobicContact CD1-CG 4.39Å; Y51-R117 HydrophobicContact CG-CB 4.49Å
52	Y	98.1	Very high	96.9	Very high	106 Å²	106	55.3 Å²	55.3	42%	0.416	30%	0.295	S	S	.	.			trans	-60	149.6	156.8	-61	-64.2	0	0	0	109.8	Y69 R117	Y52-Y69 AromaticContact CD1-CE2 3.51Å; Y52-Y69 HydrophobicContact CD1-CE2 3.51Å; Y52-Y69 AromaticContact CD1-CZ 3.46Å; Y52-Y69 VanDerWaalsContact CD1-CZ 3.46Å; Y52-Y69 WeakPolarHBondContact CD1-OH 3.35Å; Y52-Y69 HydrophobicContact CE1-CE2 4.35Å; Y52-Y69 AromaticContact CE1-CZ 3.91Å; Y52-Y69 WeakPolarHBondContact CE1-OH 3.44Å; Y52-Y69 AromaticContact CG-CE2 3.77Å; Y52-Y69 HydrophobicContact CG-CE2 3.77Å; Y52-R117 WeakPolarHBondContact O-CA 3.48Å
53	M	98.4	Very high	96.7	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.2	177.1	-62	-61.9	-56.4	0	0	110.3	L23 F46 F48 Y69 I70 L98 A116 R117	L23-M53 HydrophobicContact CD2-CE 4.08Å; F46-M53 HydrophobicContact CZ-SD 4.45Å; F48-M53 HydrophobicContact CD2-CG 4.47Å; F48-M53 HydrophobicContact CD2-SD 4.08Å; F48-M53 HydrophobicContact CE2-CE 3.88Å; F48-M53 HydrophobicContact CE2-CG 3.72Å; F48-M53 HydrophobicContact CE2-SD 3.69Å; F48-M53 HydrophobicContact CZ-CG 4.04Å; M53-Y69 WeakPolarHBondContact O-CA 3.27Å; M53-I70 HydrophobicContact CB-CG2 3.82Å; M53-I70 PolarHBondContact N-O 3.31Å; M53-I70 PolarHBondContact O-N 3.01Å; M53-L98 HydrophobicContact CB-CD1 3.71Å; M53-L98 HydrophobicContact CB-CD2 3.91Å; M53-L98 HydrophobicContact CB-CG 4.38Å; M53-L98 HydrophobicContact CE-CD2 4.21Å; M53-L98 HydrophobicContact CG-CD1 4.31Å; M53-A116 WeakPolarHBondContact CA-O 3.42Å; M53-A116 WeakPolarHBondContact CE-O 3.41Å; M53-R117 HydrophobicContact CE-CB 4.3Å; M53-R117 HydrophobicContact SD-CB 3.75Å
54	Y	98.6	Very high	96.7	Very high	73 Å²	73	65.4 Å²	65.4	29%	0.286	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.5	-175	-53	-100.7	0	0	0	109.9	W66 A68 Y69 C115 A116	Y54-W66 AromaticContact CD1-CD1 3.97Å; Y54-W66 AromaticContact CD1-NE1 3.63Å; Y54-A68 VanDerWaalsContact CA-O 3.31Å; Y54-A68 WeakPolarHBondContact CA-O 3.34Å; Y54-Y69 AromaticContact CD1-CD2 3.85Å; Y54-Y69 HydrophobicContact CD1-CD2 3.85Å; Y54-Y69 AromaticContact CE1-CD2 3.34Å; Y54-Y69 HydrophobicContact CE1-CD2 3.34Å; Y54-Y69 HydrophobicContact CE1-CE2 4.01Å; Y54-Y69 HydrophobicContact CE1-CG 4.31Å; Y54-Y69 HydrophobicContact CE2-CD2 4.47Å; Y54-Y69 AromaticContact CZ-CD2 3.67Å; Y54-Y69 AromaticContact CZ-CE2 3.92Å; Y54-C115 VanDerWaalsContact O-CA 3.31Å; Y54-C115 WeakPolarHBondContact O-CA 3.41Å; Y54-A116 PolarHBondContact N-O 2.74Å; Y54-A116 PolarHBondContact O-N 2.9Å
55	W	98.7	Very high	96.7	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.9	157.1	-78.1	98.8	0	0	0	108.8	E25 L39 C41 V67 A68 L98 L100 Y114 C115	E25-W55 HydrophobicContact CG-CH2 4.1Å; E25-W55 HydrophobicContact CG-CZ3 3.96Å; L39-W55 HydrophobicContact CB-CH2 3.73Å; L39-W55 HydrophobicContact CB-CZ2 4.03Å; L39-W55 HydrophobicContact CB-CZ3 4.31Å; L39-W55 HydrophobicContact CD1-CE3 4.46Å; L39-W55 HydrophobicContact CD1-CH2 4.29Å; L39-W55 HydrophobicContact CD1-CZ3 4.03Å; C41-W55 HydrophobicContact CB-CH2 3.91Å; C41-W55 HydrophobicContact CB-CZ2 3.94Å; W55-V67 HydrophobicContact CB-CB 4.06Å; W55-V67 HydrophobicContact CB-CG1 4.42Å; W55-V67 WeakPolarHBondContact O-CB 3.35Å; W55-V67 PolarHBondContact O-N 2.98Å; W55-A68 PolarHBondContact N-O 3.25Å; W55-A68 PolarHBondContact O-N 3.03Å; W55-L98 HydrophobicContact CD2-CD2 4.43Å; W55-L98 HydrophobicContact CG-CD2 4.41Å; W55-L98 HydrophobicContact CZ2-CD2 4.31Å; W55-L98 VanDerWaalsContact NE1-CD2 3.27Å; W55-L100 HydrophobicContact CB-CD2 4.23Å; W55-L100 HydrophobicContact CD2-CB 4.1Å; W55-L100 HydrophobicContact CD2-CD2 4.14Å; W55-L100 HydrophobicContact CG-CB 4.19Å; W55-L100 HydrophobicContact CG-CD1 4.31Å; W55-L100 HydrophobicContact CG-CD2 3.95Å; W55-L100 HydrophobicContact CG-CG 4.39Å; W55-L100 HydrophobicContact CZ2-CB 4.17Å; W55-Y114 WeakPolarHBondContact CA-O 3.33Å; W55-C115 HydrophobicContact CD2-CB 4.49Å; W55-C115 HydrophobicContact CE3-CB 4.35Å; W55-C115 HydrophobicContact CH2-CB 4.3Å; W55-C115 HydrophobicContact CZ2-CB 4.43Å; W55-C115 HydrophobicContact CZ3-CB 4.26Å
56	V	98.4	Very high	96.8	Very high	37 Å²	37	67.4 Å²	67.4	22%	0.224	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.5	175.4	-178	0	0	0	0	107.1	L64 E65 Y113 Y114	V56-L64 HydrophobicContact CG1-CD2 4.28Å; V56-E65 CarbonylContact C-O 3.56Å; V56-E65 WeakPolarHBondContact CA-O 3.28Å; V56-E65 WeakPolarHBondContact CG1-O 3.24Å; V56-Y113 WeakPolarHBondContact O-CA 3.45Å; V56-Y114 PolarHBondContact N-O 3.28Å; V56-Y114 PolarHBondContact O-N 2.64Å
57	R	97.9	Very high	97	Very high	13 Å²	13	66 Å²	66	5%	0.049	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	145.7	173.6	72.2	-178.1	-178.4	-179.6	6.4	111.8	L64 E65 V67 D109 A111 M112 Y113	R57-L64 CarbonylContact O-C 3.59Å; R57-L64 WeakPolarHBondContact O-CA 3.32Å; R57-E65 HydrophobicContact CG-CB 3.95Å; R57-E65 IonicContact CZ-OE2 2.97Å; R57-E65 PolarHBondContact N-O 3.34Å; R57-E65 IonicContact NE-OE2 3Å; R57-E65 PolarHBondContact NE-OE2 3.06Å; R57-E65 IonicContact NH2-OE2 2.91Å; R57-E65 PolarHBondContact NH2-OE2 2.91Å; R57-E65 PolarHBondContact O-N 2.8Å; R57-V67 HydrophobicContact CB-CG2 3.74Å; R57-V67 HydrophobicContact CG-CG2 3.52Å; R57-D109 IonicContact NH1-OD1 2.74Å; R57-D109 PolarHBondContact NH1-OD1 3.1Å; R57-A111 HydrophobicContact CB-CB 3.86Å; R57-A111 HydrophobicContact CG-CB 4.21Å; R57-M112 CarbonylContact C-O 3.43Å; R57-M112 WeakPolarHBondContact CA-O 3.28Å; R57-Y113 HydrophobicContact CB-CD1 3.86Å; R57-Y113 HydrophobicContact CB-CD2 4.5Å; R57-Y113 HydrophobicContact CB-CE1 3.78Å; R57-Y113 HydrophobicContact CB-CE2 4.43Å; R57-Y113 HydrophobicContact CB-CG 4.21Å; R57-Y113 HydrophobicContact CG-CE1 4.45Å; R57-Y113 PolarHBondContact NH1-OH 3.37Å
58	Q	97.9	Very high	97.1	Very high	46 Å²	46	62.2 Å²	62.2	22%	0.215	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	114.2	169	-172.9	175.8	63	0	0	108.8	K62 R63 L64 A111 M112 Y114	Q58-K62 HydrophobicContact CG-CD 4.43Å; Q58-R63 WeakPolarHBondContact CA-O 3.4Å; Q58-L64 HydrophobicContact CB-CD2 3.85Å; Q58-L64 HydrophobicContact CG-CD2 4.13Å; Q58-A111 WeakPolarHBondContact O-CA 3.45Å; Q58-A111 VanDerWaalsContact O-CB 3.28Å; Q58-A111 WeakPolarHBondContact O-CB 3.47Å; Q58-M112 PolarHBondContact N-O 2.98Å; Q58-M112 PolarHBondContact O-N 3.31Å; Q58-Y114 HydrophobicContact CB-CE2 4.01Å
59	T	95.9	Very high	97.2	Very high	8 Å²	8	64 Å²	64	5%	0.049	30%	0.297	C	S	.	.			trans	-69.6	165.5	177.2	77.4	0	0	0	0	110.9	E61 K62 R63	T59-E61 VanDerWaalsContact CB-OE2 3.24Å; T59-E61 WeakPolarHBondContact CB-OE2 3.3Å; T59-E61 PolarHBondContact O-N 2.79Å; T59-E61 VanDerWaalsContact O-N 3.16Å; T59-E61 PolarHBondContact OG1-N 3.05Å; T59-E61 PolarHBondContact OG1-OE2 3.02Å; T59-K62 WeakPolarHBondContact O-CA 3.32Å; T59-K62 PolarHBondContact O-N 2.85Å; T59-R63 PolarHBondContact N-O 2.71Å
60	P	95.6	Very high	97.3	Very high	91 Å²	91	62.2 Å²	62.2	59%	0.591	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-32.4	174.5	-27.7	37.3	0	0	0	113.3	K62 T110	P60-K62 PolarHBondContact O-N 2.9Å; P60-T110 WeakPolarHBondContact CD-O 3.25Å
61	E	95.5	Very high	97.3	Very high	145 Å²	145	57.8 Å²	57.8	68%	0.678	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	10.6	175.4	-51.7	71.7	-151.7	0	0	113.4	T59 R63	T59-E61 VanDerWaalsContact CB-OE2 3.24Å; T59-E61 WeakPolarHBondContact CB-OE2 3.3Å; T59-E61 PolarHBondContact O-N 2.79Å; T59-E61 VanDerWaalsContact O-N 3.16Å; T59-E61 PolarHBondContact OG1-N 3.05Å; T59-E61 PolarHBondContact OG1-OE2 3.02Å; E61-R63 PolarHBondContact O-N 3.43Å
62	K	93.2	Very high	97.2	Very high	145 Å²	145	56.5 Å²	56.5	63%	0.63	26%	0.261	S	S	*	.			trans	65	11.2	179.9	-54.8	-60.8	-173.8	-179.6	0	115.5	Q58 T59 P60 L64	Q58-K62 HydrophobicContact CG-CD 4.43Å; T59-K62 WeakPolarHBondContact O-CA 3.32Å; T59-K62 PolarHBondContact O-N 2.85Å; P60-K62 PolarHBondContact O-N 2.9Å; K62-L64 PolarHBondContact O-N 2.84Å
63	R	94.8	Very high	96.9	Very high	154 Å²	154	54.3 Å²	54.3	58%	0.581	27%	0.27	S	S	*	.			trans	-72.2	128.9	173.6	-175	170.7	61.8	169.9	-0.1	110.1	Q58 T59 E61 E65	Q58-R63 WeakPolarHBondContact CA-O 3.4Å; T59-R63 PolarHBondContact N-O 2.71Å; E61-R63 PolarHBondContact O-N 3.43Å; R63-E65 HydrophobicContact CG-CG 4.25Å; R63-E65 IonicContact CZ-OE1 3.87Å; R63-E65 IonicContact NE-OE1 2.64Å; R63-E65 PolarHBondContact NE-OE1 2.92Å; R63-E65 IonicContact NH1-OE1 2.9Å; R63-E65 IonicContact NH2-OE1 2.85Å; R63-E65 PolarHBondContact NH2-OE1 3.16Å
64	L	96.7	Very high	96.7	Very high	115 Å²	115	55.7 Å²	55.7	60%	0.602	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	131.8	171.8	-68.6	173.7	0	0	0	110	V56 R57 Q58 K62	V56-L64 HydrophobicContact CG1-CD2 4.28Å; R57-L64 CarbonylContact O-C 3.59Å; R57-L64 WeakPolarHBondContact O-CA 3.32Å; Q58-L64 HydrophobicContact CB-CD2 3.85Å; Q58-L64 HydrophobicContact CG-CD2 4.13Å; K62-L64 PolarHBondContact O-N 2.84Å
65	E	97.2	Very high	96.6	Very high	36 Å²	36	55.9 Å²	55.9	17%	0.168	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.8	178.4	-63.7	-179.8	176.3	0	0	109.5	V56 R57 R63	V56-E65 CarbonylContact C-O 3.56Å; V56-E65 WeakPolarHBondContact CA-O 3.28Å; V56-E65 WeakPolarHBondContact CG1-O 3.24Å; R57-E65 HydrophobicContact CG-CB 3.95Å; R57-E65 IonicContact CZ-OE2 2.97Å; R57-E65 PolarHBondContact N-O 3.34Å; R57-E65 IonicContact NE-OE2 3Å; R57-E65 PolarHBondContact NE-OE2 3.06Å; R57-E65 IonicContact NH2-OE2 2.91Å; R57-E65 PolarHBondContact NH2-OE2 2.91Å; R57-E65 PolarHBondContact O-N 2.8Å; R63-E65 HydrophobicContact CG-CG 4.25Å; R63-E65 IonicContact CZ-OE1 3.87Å; R63-E65 IonicContact NE-OE1 2.64Å; R63-E65 PolarHBondContact NE-OE1 2.92Å; R63-E65 IonicContact NH1-OE1 2.9Å; R63-E65 IonicContact NH2-OE1 2.85Å; R63-E65 PolarHBondContact NH2-OE1 3.16Å
66	W	97.6	Very high	96.5	Very high	95 Å²	95	58.7 Å²	58.7	36%	0.36	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	135.8	168.3	172.6	81.6	0	0	0	109.9	Y54 A68 Y69 Y78 P80	Y54-W66 AromaticContact CD1-CD1 3.97Å; Y54-W66 AromaticContact CD1-NE1 3.63Å; W66-A68 VanDerWaalsContact CE2-C 3.49Å; W66-A68 VanDerWaalsContact CZ2-C 3.42Å; W66-A68 VanDerWaalsContact NE1-C 3.34Å; W66-A68 PolarHBondContact NE1-O 3.34Å; W66-Y69 VanDerWaalsContact CZ2-N 3.35Å; W66-Y78 WeakPolarHBondContact CH2-O 3.31Å; W66-Y78 WeakPolarHBondContact CZ2-O 3.42Å; W66-P80 HydrophobicContact CE3-CB 4.14Å; W66-P80 HydrophobicContact CE3-CG 4Å; W66-P80 HydrophobicContact CZ3-CB 3.95Å; W66-P80 HydrophobicContact CZ3-CG 3.97Å; W66-P80 VanDerWaalsContact CZ3-N 3.28Å
67	V	98.3	Very high	96.6	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.006	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-43.3	-172.4	177.3	0	0	0	0	112.3	W55 R57 P80 V83 F87 L100 Y113	W55-V67 HydrophobicContact CB-CB 4.06Å; W55-V67 HydrophobicContact CB-CG1 4.42Å; W55-V67 WeakPolarHBondContact O-CB 3.35Å; W55-V67 PolarHBondContact O-N 2.98Å; R57-V67 HydrophobicContact CB-CG2 3.74Å; R57-V67 HydrophobicContact CG-CG2 3.52Å; V67-P80 WeakPolarHBondContact O-CD 3.31Å; V67-V83 HydrophobicContact CG1-CG2 4.35Å; V67-V83 WeakPolarHBondContact O-CG2 3.48Å; V67-F87 HydrophobicContact CG1-CD2 3.61Å; V67-F87 HydrophobicContact CG1-CE2 3.98Å; V67-L100 HydrophobicContact CG1-CD2 4.07Å; V67-Y113 HydrophobicContact CG1-CE1 4.35Å; V67-Y113 HydrophobicContact CG2-CD1 4.46Å; V67-Y113 HydrophobicContact CG2-CE1 4.12Å
68	A	98.5	Very high	96.6	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	157.1	-179.1	0	0	0	0	0	111.5	Y54 W55 W66 Y78 Y79 I89 L100	Y54-A68 VanDerWaalsContact CA-O 3.31Å; Y54-A68 WeakPolarHBondContact CA-O 3.34Å; W55-A68 PolarHBondContact N-O 3.25Å; W55-A68 PolarHBondContact O-N 3.03Å; W66-A68 VanDerWaalsContact CE2-C 3.49Å; W66-A68 VanDerWaalsContact CZ2-C 3.42Å; W66-A68 VanDerWaalsContact NE1-C 3.34Å; W66-A68 PolarHBondContact NE1-O 3.34Å; A68-Y78 WeakPolarHBondContact CA-O 3.39Å; A68-Y79 HydrophobicContact CB-CD1 3.77Å; A68-Y79 HydrophobicContact CB-CE1 3.81Å; A68-I89 HydrophobicContact CB-CB 3.84Å; A68-I89 HydrophobicContact CB-CD1 3.92Å; A68-I89 HydrophobicContact CB-CG1 4.43Å; A68-I89 HydrophobicContact CB-CG2 4.01Å; A68-L100 HydrophobicContact CB-CD1 4.24Å
69	Y	98.3	Very high	96.6	Very high	39 Å²	39	66.1 Å²	66.1	15%	0.153	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	145.7	175.2	161.7	-89.7	0	0	0	109.8	Y52 M53 Y54 W66 T77 Y78 I89	Y52-Y69 AromaticContact CD1-CE2 3.51Å; Y52-Y69 HydrophobicContact CD1-CE2 3.51Å; Y52-Y69 AromaticContact CD1-CZ 3.46Å; Y52-Y69 VanDerWaalsContact CD1-CZ 3.46Å; Y52-Y69 WeakPolarHBondContact CD1-OH 3.35Å; Y52-Y69 HydrophobicContact CE1-CE2 4.35Å; Y52-Y69 AromaticContact CE1-CZ 3.91Å; Y52-Y69 WeakPolarHBondContact CE1-OH 3.44Å; Y52-Y69 AromaticContact CG-CE2 3.77Å; Y52-Y69 HydrophobicContact CG-CE2 3.77Å; M53-Y69 WeakPolarHBondContact O-CA 3.27Å; Y54-Y69 AromaticContact CD1-CD2 3.85Å; Y54-Y69 HydrophobicContact CD1-CD2 3.85Å; Y54-Y69 AromaticContact CE1-CD2 3.34Å; Y54-Y69 HydrophobicContact CE1-CD2 3.34Å; Y54-Y69 HydrophobicContact CE1-CE2 4.01Å; Y54-Y69 HydrophobicContact CE1-CG 4.31Å; Y54-Y69 HydrophobicContact CE2-CD2 4.47Å; Y54-Y69 AromaticContact CZ-CD2 3.67Å; Y54-Y69 AromaticContact CZ-CE2 3.92Å; W66-Y69 VanDerWaalsContact CZ2-N 3.35Å; Y69-T77 WeakPolarHBondContact O-CA 3.43Å; Y69-Y78 AromaticContact CD1-CD2 3.49Å; Y69-Y78 HydrophobicContact CD1-CD2 3.49Å; Y69-Y78 VanDerWaalsContact CD1-CD2 3.49Å; Y69-Y78 HydrophobicContact CD1-CE2 4.26Å; Y69-Y78 HydrophobicContact CD1-CG 4.43Å; Y69-Y78 AromaticContact CE1-CD2 3.77Å; Y69-Y78 HydrophobicContact CE1-CD2 3.77Å; Y69-Y78 HydrophobicContact CE1-CE2 4.08Å; Y69-Y78 HydrophobicContact CG-CD2 4.42Å; Y69-Y78 PolarHBondContact N-O 3.18Å; Y69-Y78 PolarHBondContact O-N 2.88Å; Y69-Y78 VanDerWaalsContact O-N 3.1Å; Y69-I89 WeakPolarHBondContact O-CG2 3.4Å
70	I	98.7	Very high	96.7	Very high	6 Å²	6	67.3 Å²	67.3	3%	0.031	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135.9	168.6	-169.8	160.9	0	0	0	111.5	M53 S76 T77 I89 R91 L98	M53-I70 HydrophobicContact CB-CG2 3.82Å; M53-I70 PolarHBondContact N-O 3.31Å; M53-I70 PolarHBondContact O-N 3.01Å; I70-S76 WeakPolarHBondContact CA-O 3.31Å; I70-T77 HydrophobicContact CB-CG2 4.26Å; I70-T77 HydrophobicContact CD1-CG2 4Å; I70-T77 HydrophobicContact CG1-CG2 3.91Å; I70-I89 HydrophobicContact CB-CD1 3.89Å; I70-I89 HydrophobicContact CB-CG1 4.13Å; I70-I89 HydrophobicContact CB-CG2 4Å; I70-I89 HydrophobicContact CG2-CD1 3.63Å; I70-I89 HydrophobicContact CG2-CG1 3.99Å; I70-R91 HydrophobicContact CD1-CB 4.21Å; I70-R91 HydrophobicContact CD1-CG 3.77Å; I70-R91 HydrophobicContact CG1-CG 4.4Å; I70-L98 HydrophobicContact CG2-CD1 3.65Å
71	S	98.2	Very high	96.8	Very high	12 Å²	12	69.6 Å²	69.6	8%	0.084	37%	0.373	C	S	.	.			trans	-58.3	159.2	171.6	61.1	0	0	0	0	113	G73 G74 G75 S76 R91	S71-G73 VanDerWaalsContact C-N 3.29Å; S71-G73 PolarHBondContact O-N 2.91Å; S71-G74 PolarHBondContact O-N 3.31Å; S71-G74 PolarHBondContact OG-N 2.79Å; S71-G75 PolarHBondContact OG-N 2.78Å; S71-S76 PolarHBondContact N-O 2.75Å; S71-S76 PolarHBondContact OG-N 3.36Å; S71-S76 PolarHBondContact OG-O 3.35Å; S71-R91 WeakPolarHBondContact O-CD 3.44Å; S71-R91 PolarHBondContact O-NH1 2.87Å
72	N	95.9	Very high	96.8	Very high	65 Å²	65	66.6 Å²	66.6	35%	0.348	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-37	179.7	72.8	-58.5	0	0	0	113	S49 Y51 R91 N93	S49-N72 VanDerWaalsContact O-CB 3.31Å; S49-N72 WeakPolarHBondContact O-CB 3.38Å; S49-N72 PolarHBondContact O-ND2 3.1Å; Y51-N72 WeakPolarHBondContact O-CA 3.45Å; N72-R91 VanDerWaalsContact CA-NH1 3.27Å; N72-R91 PolarHBondContact O-NE 3.49Å; N72-R91 PolarHBondContact O-NH1 3.18Å; N72-R91 PolarHBondContact O-NH2 2.91Å; N72-N93 PolarHBondContact O-ND2 2.87Å
73	G	90.9	Very high	97	Very high	60 Å²	60	59.7 Å²	59.7	62%	0.619	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-7.3	172.8	0	0	0	0	0	115.4	S71 G75	S71-G73 VanDerWaalsContact C-N 3.29Å; S71-G73 PolarHBondContact O-N 2.91Å; G73-G75 VanDerWaalsContact C-N 3.34Å
74	G	95.2	Very high	97.1	Very high	29 Å²	29	58.7 Å²	58.7	30%	0.299	34%	0.335	S	S	.	.	S	Bend	trans	82.3	0.8	-177.5	0	0	0	0	0	116.1	S71	S71-G74 PolarHBondContact O-N 3.31Å; S71-G74 PolarHBondContact OG-N 2.79Å
75	G	95	Very high	97.1	Very high	77 Å²	77	55.9 Å²	55.9	79%	0.794	33%	0.333	S	S	*	.			trans	-72.3	-32.5	-177	0	0	0	0	0	115.2	S71 G73	S71-G75 PolarHBondContact OG-N 2.78Å; G73-G75 VanDerWaalsContact C-N 3.34Å
76	S	98	Very high	97.2	Very high	59 Å²	59	55.1 Å²	55.1	41%	0.413	33%	0.329	S	S	.	.			trans	-113.7	134.2	177.5	-54.9	0	0	0	0	111.5	I70 S71	I70-S76 WeakPolarHBondContact CA-O 3.31Å; S71-S76 PolarHBondContact N-O 2.75Å; S71-S76 PolarHBondContact OG-N 3.36Å; S71-S76 PolarHBondContact OG-O 3.35Å
77	T	98.6	Very high	97.2	Very high	57 Å²	57	50.7 Å²	50.7	35%	0.35	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	143.7	172.2	62.2	0	0	0	0	111	Y69 I70 I89	Y69-T77 WeakPolarHBondContact O-CA 3.43Å; I70-T77 HydrophobicContact CB-CG2 4.26Å; I70-T77 HydrophobicContact CD1-CG2 4Å; I70-T77 HydrophobicContact CG1-CG2 3.91Å; T77-I89 HydrophobicContact CG2-CG2 3.76Å
78	Y	98.3	Very high	97.2	Very high	147 Å²	147	54.2 Å²	54.2	58%	0.576	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.5	149.6	173.8	-65.3	-80.3	0	0	0	110.7	W66 A68 Y69	W66-Y78 WeakPolarHBondContact CH2-O 3.31Å; W66-Y78 WeakPolarHBondContact CZ2-O 3.42Å; A68-Y78 WeakPolarHBondContact CA-O 3.39Å; Y69-Y78 AromaticContact CD1-CD2 3.49Å; Y69-Y78 HydrophobicContact CD1-CD2 3.49Å; Y69-Y78 VanDerWaalsContact CD1-CD2 3.49Å; Y69-Y78 HydrophobicContact CD1-CE2 4.26Å; Y69-Y78 HydrophobicContact CD1-CG 4.43Å; Y69-Y78 AromaticContact CE1-CD2 3.77Å; Y69-Y78 HydrophobicContact CE1-CD2 3.77Å; Y69-Y78 HydrophobicContact CE1-CE2 4.08Å; Y69-Y78 HydrophobicContact CG-CD2 4.42Å; Y69-Y78 PolarHBondContact N-O 3.18Å; Y69-Y78 PolarHBondContact O-N 2.88Å; Y69-Y78 VanDerWaalsContact O-N 3.1Å
79	Y	98.5	Very high	97.2	Very high	48 Å²	48	54.5 Å²	54.5	19%	0.188	34%	0.335	C	S	.	.			trans	-141.1	146.1	178.3	-52.9	-89.4	0	0	0	109.8	A68 F87 T88 I89	A68-Y79 HydrophobicContact CB-CD1 3.77Å; A68-Y79 HydrophobicContact CB-CE1 3.81Å; Y79-F87 WeakPolarHBondContact CE1-O 3.15Å; Y79-T88 WeakPolarHBondContact OH-CA 3.38Å; Y79-I89 HydrophobicContact CE1-CB 4.3Å; Y79-I89 HydrophobicContact CE1-CG2 3.94Å; Y79-I89 WeakPolarHBondContact OH-CG2 3.03Å; Y79-I89 PolarHBondContact OH-N 3.06Å
80	P	97.7	Very high	97.2	Very high	32 Å²	32	55 Å²	55	21%	0.208	35%	0.345	C	S	.	.			trans	-75.4	156.1	168.2	34	-32.1	0	0	0	110.1	W66 V67 T82 V83 K84	W66-P80 HydrophobicContact CE3-CB 4.14Å; W66-P80 HydrophobicContact CE3-CG 4Å; W66-P80 HydrophobicContact CZ3-CB 3.95Å; W66-P80 HydrophobicContact CZ3-CG 3.97Å; W66-P80 VanDerWaalsContact CZ3-N 3.28Å; V67-P80 WeakPolarHBondContact O-CD 3.31Å; P80-T82 PolarHBondContact O-N 2.94Å; P80-T82 VanDerWaalsContact O-N 3.1Å; P80-V83 HydrophobicContact CG-CG2 3.84Å; P80-V83 PolarHBondContact O-N 2.84Å; P80-V83 VanDerWaalsContact O-N 3.16Å; P80-K84 WeakPolarHBondContact O-CB 3.5Å; P80-K84 PolarHBondContact O-N 2.82Å
81	D	97.1	Very high	97.2	Very high	139 Å²	139	56.3 Å²	56.3	74%	0.743	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.8	-174.8	-68.1	-30.3	0	0	0	113.6	V83	D81-V83 VanDerWaalsContact C-N 3.25Å; D81-V83 PolarHBondContact O-N 3.35Å
82	T	95.8	Very high	97.2	Very high	82 Å²	82	57.5 Å²	57.5	50%	0.503	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.8	-179.9	54.7	0	0	0	0	113.9	P80 R86	P80-T82 PolarHBondContact O-N 2.94Å; P80-T82 VanDerWaalsContact O-N 3.1Å; T82-R86 PolarHBondContact O-NH2 3.03Å
83	V	97.6	Very high	97.3	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.006	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-8	-178.6	-53.2	0	0	0	0	113.2	V67 P80 D81 G85 R86 F87	V67-V83 HydrophobicContact CG1-CG2 4.35Å; V67-V83 WeakPolarHBondContact O-CG2 3.48Å; P80-V83 HydrophobicContact CG-CG2 3.84Å; P80-V83 PolarHBondContact O-N 2.84Å; P80-V83 VanDerWaalsContact O-N 3.16Å; D81-V83 VanDerWaalsContact C-N 3.25Å; D81-V83 PolarHBondContact O-N 3.35Å; V83-G85 PolarHBondContact O-N 2.85Å; V83-R86 WeakPolarHBondContact O-CB 3.35Å; V83-R86 PolarHBondContact O-N 3.31Å; V83-F87 HydrophobicContact CB-CB 4.17Å; V83-F87 HydrophobicContact CB-CD1 4.32Å; V83-F87 HydrophobicContact CB-CD2 3.62Å; V83-F87 HydrophobicContact CB-CE2 4.01Å; V83-F87 HydrophobicContact CB-CG 3.79Å; V83-F87 HydrophobicContact CB-CZ 4.49Å; V83-F87 HydrophobicContact CG1-CD2 3.78Å; V83-F87 HydrophobicContact CG1-CE2 3.64Å; V83-F87 HydrophobicContact CG1-CG 4.36Å; V83-F87 HydrophobicContact CG1-CZ 4.1Å; V83-F87 HydrophobicContact CG2-CB 4.28Å; V83-F87 HydrophobicContact CG2-CD2 4.01Å; V83-F87 HydrophobicContact CG2-CG 4.31Å; V83-F87 PolarHBondContact O-N 2.86Å
84	K	97.1	Very high	97.5	Very high	133 Å²	133	59 Å²	59	58%	0.578	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	130	179.5	-169.5	173.8	-176.9	178.7	0	110.8	P80 R86	P80-K84 WeakPolarHBondContact O-CB 3.5Å; P80-K84 PolarHBondContact O-N 2.82Å; K84-R86 PolarHBondContact O-N 3.14Å
85	G	97.4	Very high	97.7	Very high	55 Å²	55	63.9 Å²	63.9	57%	0.567	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	-4.4	-177	0	0	0	0	0	115.2	V83 R104	V83-G85 PolarHBondContact O-N 2.85Å; G85-R104 PolarHBondContact O-NH2 3.12Å
86	R	98	Very high	97.8	Very high	20 Å²	20	63.2 Å²	63.2	8%	0.075	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-37.7	171.9	-63.6	-169.2	-56.4	110.9	-1.2	111.7	T82 V83 K84 S103 R104 D109	T82-R86 PolarHBondContact O-NH2 3.03Å; V83-R86 WeakPolarHBondContact O-CB 3.35Å; V83-R86 PolarHBondContact O-N 3.31Å; K84-R86 PolarHBondContact O-N 3.14Å; R86-S103 WeakPolarHBondContact CB-O 3.41Å; R86-S103 PolarHBondContact O-N 3.42Å; R86-S103 PolarHBondContact O-OG 3.43Å; R86-R104 PolarHBondContact NH1-O 3.48Å; R86-R104 VanDerWaalsContact NH1-O 3.08Å; R86-D109 IonicContact CZ-OD1 3.84Å; R86-D109 IonicContact CZ-OD2 3.41Å; R86-D109 IonicContact NH1-OD1 3.76Å; R86-D109 IonicContact NH1-OD2 2.68Å; R86-D109 PolarHBondContact NH1-OD2 2.94Å; R86-D109 IonicContact NH2-OD1 2.8Å; R86-D109 PolarHBondContact NH2-OD1 3.17Å; R86-D109 IonicContact NH2-OD2 3.2Å; R86-D109 PolarHBondContact NH2-OD2 3.45Å
87	F	98.4	Very high	97.8	Very high	3 Å²	3	61.3 Å²	61.3	1%	0.013	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	151	-179.1	-66.5	8.7	0	0	0	110.7	V67 Y79 V83 L100 Q101 M102 L105 D109 Y113	V67-F87 HydrophobicContact CG1-CD2 3.61Å; V67-F87 HydrophobicContact CG1-CE2 3.98Å; Y79-F87 WeakPolarHBondContact CE1-O 3.15Å; V83-F87 HydrophobicContact CB-CB 4.17Å; V83-F87 HydrophobicContact CB-CD1 4.32Å; V83-F87 HydrophobicContact CB-CD2 3.62Å; V83-F87 HydrophobicContact CB-CE2 4.01Å; V83-F87 HydrophobicContact CB-CG 3.79Å; V83-F87 HydrophobicContact CB-CZ 4.49Å; V83-F87 HydrophobicContact CG1-CD2 3.78Å; V83-F87 HydrophobicContact CG1-CE2 3.64Å; V83-F87 HydrophobicContact CG1-CG 4.36Å; V83-F87 HydrophobicContact CG1-CZ 4.1Å; V83-F87 HydrophobicContact CG2-CB 4.28Å; V83-F87 HydrophobicContact CG2-CD2 4.01Å; V83-F87 HydrophobicContact CG2-CG 4.31Å; V83-F87 PolarHBondContact O-N 2.86Å; F87-L100 HydrophobicContact CB-CD1 4.26Å; F87-L100 HydrophobicContact CD2-CD2 4.26Å; F87-Q101 CarbonylContact C-O 3.46Å; F87-Q101 VanDerWaalsContact CA-O 3.26Å; F87-Q101 WeakPolarHBondContact CA-O 3.41Å; F87-M102 HydrophobicContact CD1-CB 3.74Å; F87-M102 HydrophobicContact CD1-CG 3.77Å; F87-M102 HydrophobicContact CD2-CG 3.97Å; F87-M102 HydrophobicContact CD2-SD 4.27Å; F87-M102 HydrophobicContact CE1-CB 3.67Å; F87-M102 HydrophobicContact CE1-CG 3.82Å; F87-M102 HydrophobicContact CE1-SD 4.27Å; F87-M102 HydrophobicContact CE2-CG 3.98Å; F87-M102 HydrophobicContact CE2-SD 3.78Å; F87-M102 HydrophobicContact CG-CB 4.35Å; F87-M102 HydrophobicContact CG-CG 3.89Å; F87-M102 HydrophobicContact CZ-CB 4.18Å; F87-M102 HydrophobicContact CZ-CG 3.92Å; F87-M102 HydrophobicContact CZ-SD 3.79Å; F87-L105 HydrophobicContact CE1-CD2 3.74Å; F87-L105 HydrophobicContact CZ-CD2 3.77Å; F87-D109 HydrophobicContact CZ-CB 4.15Å; F87-Y113 HydrophobicContact CE2-CE1 4.24Å
88	T	98.5	Very high	97.8	Very high	75 Å²	75	58.6 Å²	58.6	46%	0.46	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	114.8	178.5	-55	0	0	0	0	109.7	Y79 Q101	Y79-T88 WeakPolarHBondContact OH-CA 3.38Å; T88-Q101 PolarHBondContact N-O 3.15Å; T88-Q101 PolarHBondContact O-N 2.87Å
89	I	98.8	Very high	97.8	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	137.6	172.8	-167.8	171.6	0	0	0	109.2	A68 Y69 I70 T77 Y79 L98 Y99 L100	A68-I89 HydrophobicContact CB-CB 3.84Å; A68-I89 HydrophobicContact CB-CD1 3.92Å; A68-I89 HydrophobicContact CB-CG1 4.43Å; A68-I89 HydrophobicContact CB-CG2 4.01Å; Y69-I89 WeakPolarHBondContact O-CG2 3.4Å; I70-I89 HydrophobicContact CB-CD1 3.89Å; I70-I89 HydrophobicContact CB-CG1 4.13Å; I70-I89 HydrophobicContact CB-CG2 4Å; I70-I89 HydrophobicContact CG2-CD1 3.63Å; I70-I89 HydrophobicContact CG2-CG1 3.99Å; T77-I89 HydrophobicContact CG2-CG2 3.76Å; Y79-I89 HydrophobicContact CE1-CB 4.3Å; Y79-I89 HydrophobicContact CE1-CG2 3.94Å; Y79-I89 WeakPolarHBondContact OH-CG2 3.03Å; Y79-I89 PolarHBondContact OH-N 3.06Å; I89-L98 HydrophobicContact CD1-CD1 3.97Å; I89-L98 HydrophobicContact CD1-CD2 4.47Å; I89-L98 HydrophobicContact CG1-CD1 3.89Å; I89-L98 HydrophobicContact CG1-CG 4.48Å; I89-Y99 WeakPolarHBondContact CA-O 3.43Å; I89-L100 HydrophobicContact CB-CD1 4.31Å
90	S	98.5	Very high	97.9	Very high	50 Å²	50	51.4 Å²	51.4	35%	0.35	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	160.9	173	54.3	0	0	0	0	109.9	Y99	S90-Y99 PolarHBondContact N-O 2.8Å; S90-Y99 PolarHBondContact O-N 2.77Å
91	R	98.3	Very high	97.9	Very high	32 Å²	32	53.5 Å²	53.5	12%	0.121	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147.5	-178.9	65.7	-175.8	-66.8	149.3	2	110.8	F48 Y51 I70 S71 N72 N93 T97 L98	F48-R91 VanDerWaalsContact CD1-NH2 3.26Å; F48-R91 HydrophobicContact CE1-CB 4.13Å; F48-R91 VanDerWaalsContact CE1-NH2 3.28Å; F48-R91 HydrophobicContact CZ-CB 4.24Å; F48-R91 PolarHBondContact O-NH2 2.86Å; Y51-R91 PolarHBondContact O-NH1 2.96Å; I70-R91 HydrophobicContact CD1-CB 4.21Å; I70-R91 HydrophobicContact CD1-CG 3.77Å; I70-R91 HydrophobicContact CG1-CG 4.4Å; S71-R91 WeakPolarHBondContact O-CD 3.44Å; S71-R91 PolarHBondContact O-NH1 2.87Å; N72-R91 VanDerWaalsContact CA-NH1 3.27Å; N72-R91 PolarHBondContact O-NE 3.49Å; N72-R91 PolarHBondContact O-NH1 3.18Å; N72-R91 PolarHBondContact O-NH2 2.91Å; R91-N93 PolarHBondContact NE-OD1 3.17Å; R91-N93 PolarHBondContact NH2-OD1 3.35Å; R91-T97 WeakPolarHBondContact CA-O 3.32Å; R91-L98 HydrophobicContact CB-CD1 4.2Å
92	D	97.8	Very high	98	Very high	37 Å²	37	47 Å²	47	20%	0.198	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	104.4	170.5	-175.4	-24.4	0	0	0	108.1	A94 K95 N96 T97 Y99	D92-A94 VanDerWaalsContact C-N 3.3Å; D92-A94 WeakPolarHBondContact OD1-CB 2.91Å; D92-A94 PolarHBondContact OD1-N 3.2Å; D92-K95 HydrophobicContact CB-CB 4.21Å; D92-K95 PolarHBondContact O-N 3.35Å; D92-K95 PolarHBondContact OD1-N 3.21Å; D92-K95 VanDerWaalsContact OD2-CD 3.28Å; D92-K95 WeakPolarHBondContact OD2-CD 3.46Å; D92-K95 WeakPolarHBondContact OD2-CE 2.95Å; D92-K95 VanDerWaalsContact OD2-CG 3.32Å; D92-K95 WeakPolarHBondContact OD2-CG 3.39Å; D92-K95 IonicContact OD2-NZ 3.28Å; D92-K95 PolarHBondContact OD2-NZ 3.01Å; D92-N96 PolarHBondContact O-N 2.98Å; D92-T97 PolarHBondContact N-O 2.89Å; D92-T97 PolarHBondContact O-N 2.01Å; D92-Y99 HydrophobicContact CB-CE2 4Å
93	N	97.1	Very high	98.1	Very high	60 Å²	60	44.7 Å²	44.7	32%	0.321	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-24.8	-178.7	-76.8	-11.7	0	0	0	112.8	F48 N72 R91 K95 N96	F48-N93 VanDerWaalsContact CD1-OD1 3.31Å; F48-N93 WeakPolarHBondContact CD1-OD1 3.29Å; F48-N93 WeakPolarHBondContact CE1-OD1 3.44Å; N72-N93 PolarHBondContact O-ND2 2.87Å; R91-N93 PolarHBondContact NE-OD1 3.17Å; R91-N93 PolarHBondContact NH2-OD1 3.35Å; N93-K95 VanDerWaalsContact C-N 3.34Å; N93-N96 PolarHBondContact O-OD1 2.84Å
94	A	96.8	Very high	98.1	Very high	97 Å²	97	51.6 Å²	51.6	80%	0.802	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-30.9	176.2	0	0	0	0	0	111.3	D92	D92-A94 VanDerWaalsContact C-N 3.3Å; D92-A94 WeakPolarHBondContact OD1-CB 2.91Å; D92-A94 PolarHBondContact OD1-N 3.2Å
95	K	97.6	Very high	98.1	Very high	132 Å²	132	45.8 Å²	45.8	57%	0.574	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	2.1	178.5	-59.9	-171.4	-168.7	109.5	0	114.4	D92 N93 T97	D92-K95 HydrophobicContact CB-CB 4.21Å; D92-K95 PolarHBondContact O-N 3.35Å; D92-K95 PolarHBondContact OD1-N 3.21Å; D92-K95 VanDerWaalsContact OD2-CD 3.28Å; D92-K95 WeakPolarHBondContact OD2-CD 3.46Å; D92-K95 WeakPolarHBondContact OD2-CE 2.95Å; D92-K95 VanDerWaalsContact OD2-CG 3.32Å; D92-K95 WeakPolarHBondContact OD2-CG 3.39Å; D92-K95 IonicContact OD2-NZ 3.28Å; D92-K95 PolarHBondContact OD2-NZ 3.01Å; N93-K95 VanDerWaalsContact C-N 3.34Å; K95-T97 PolarHBondContact O-N 3.05Å; K95-T97 VanDerWaalsContact O-N 3.14Å; K95-T97 PolarHBondContact O-OG1 2.92Å
96	N	97.7	Very high	98.1	Very high	63 Å²	63	48 Å²	48	34%	0.337	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	42.2	-171.7	-58.8	-35	0	0	0	112.7	A43 F48 D92 N93	A43-N96 HydrophobicContact CB-CB 4.48Å; A43-N96 WeakPolarHBondContact CB-O 3.39Å; A43-N96 PolarHBondContact N-O 3.16Å; A43-N96 WeakPolarHBondContact O-CB 2.91Å; F48-N96 HydrophobicContact CB-CB 3.97Å; F48-N96 WeakPolarHBondContact CB-OD1 3.34Å; F48-N96 HydrophobicContact CD1-CB 4.46Å; F48-N96 HydrophobicContact CG-CB 4.16Å; D92-N96 PolarHBondContact O-N 2.98Å; N93-N96 PolarHBondContact O-OD1 2.84Å
97	T	98.5	Very high	97.9	Very high	18 Å²	18	52 Å²	52	11%	0.11	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.7	-172.2	-56.5	0	0	0	0	111.1	C41 R91 D92 K95 Y99	C41-T97 WeakPolarHBondContact O-CA 3.31Å; R91-T97 WeakPolarHBondContact CA-O 3.32Å; D92-T97 PolarHBondContact N-O 2.89Å; D92-T97 PolarHBondContact O-N 2.01Å; K95-T97 PolarHBondContact O-N 3.05Å; K95-T97 VanDerWaalsContact O-N 3.14Å; K95-T97 PolarHBondContact O-OG1 2.92Å; T97-Y99 HydrophobicContact CG2-CD1 4.11Å; T97-Y99 HydrophobicContact CG2-CD2 4.47Å; T97-Y99 HydrophobicContact CG2-CE1 3.48Å; T97-Y99 VanDerWaalsContact CG2-CE1 3.48Å; T97-Y99 HydrophobicContact CG2-CE2 3.9Å; T97-Y99 WeakPolarHBondContact CG2-OH 3.46Å
98	L	98.8	Very high	97.7	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	141.3	170.3	-173.6	72.3	0	0	0	109.7	S40 C41 F48 M53 W55 I70 I89 R91 C115	S40-L98 CarbonylContact C-O 3.46Å; S40-L98 VanDerWaalsContact CA-O 3.3Å; S40-L98 WeakPolarHBondContact CA-O 3.44Å; C41-L98 HydrophobicContact CB-CB 4.18Å; C41-L98 PolarHBondContact N-O 2.85Å; C41-L98 PolarHBondContact O-N 3.46Å; F48-L98 HydrophobicContact CZ-CB 4.22Å; M53-L98 HydrophobicContact CB-CD1 3.71Å; M53-L98 HydrophobicContact CB-CD2 3.91Å; M53-L98 HydrophobicContact CB-CG 4.38Å; M53-L98 HydrophobicContact CE-CD2 4.21Å; M53-L98 HydrophobicContact CG-CD1 4.31Å; W55-L98 HydrophobicContact CD2-CD2 4.43Å; W55-L98 HydrophobicContact CG-CD2 4.41Å; W55-L98 HydrophobicContact CZ2-CD2 4.31Å; W55-L98 VanDerWaalsContact NE1-CD2 3.27Å; I70-L98 HydrophobicContact CG2-CD1 3.65Å; I89-L98 HydrophobicContact CD1-CD1 3.97Å; I89-L98 HydrophobicContact CD1-CD2 4.47Å; I89-L98 HydrophobicContact CG1-CD1 3.89Å; I89-L98 HydrophobicContact CG1-CG 4.48Å; R91-L98 HydrophobicContact CB-CD1 4.2Å; L98-C115 HydrophobicContact CD2-CB 3.92Å
99	Y	98.7	Very high	97.7	Very high	45 Å²	45	53.7 Å²	53.7	18%	0.176	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.5	177.3	-57.5	-75.5	0	0	0	111.3	L39 I89 S90 D92 T97	L39-Y99 VanDerWaalsContact O-CA 3.3Å; L39-Y99 WeakPolarHBondContact O-CA 3.37Å; I89-Y99 WeakPolarHBondContact CA-O 3.43Å; S90-Y99 PolarHBondContact N-O 2.8Å; S90-Y99 PolarHBondContact O-N 2.77Å; D92-Y99 HydrophobicContact CB-CE2 4Å; T97-Y99 HydrophobicContact CG2-CD1 4.11Å; T97-Y99 HydrophobicContact CG2-CD2 4.47Å; T97-Y99 HydrophobicContact CG2-CE1 3.48Å; T97-Y99 VanDerWaalsContact CG2-CE1 3.48Å; T97-Y99 HydrophobicContact CG2-CE2 3.9Å; T97-Y99 WeakPolarHBondContact CG2-OH 3.46Å
100	L	98.8	Very high	97.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	105.8	166.6	-169.9	66.2	0	0	0	108.8	K38 L39 W55 V67 A68 F87 I89 M102 Y113	K38-L100 WeakPolarHBondContact CA-O 3.33Å; L39-L100 HydrophobicContact CB-CB 4.24Å; L39-L100 HydrophobicContact CD1-CD2 4.37Å; L39-L100 PolarHBondContact N-O 3.4Å; L39-L100 PolarHBondContact O-N 3.31Å; W55-L100 HydrophobicContact CB-CD2 4.23Å; W55-L100 HydrophobicContact CD2-CB 4.1Å; W55-L100 HydrophobicContact CD2-CD2 4.14Å; W55-L100 HydrophobicContact CG-CB 4.19Å; W55-L100 HydrophobicContact CG-CD1 4.31Å; W55-L100 HydrophobicContact CG-CD2 3.95Å; W55-L100 HydrophobicContact CG-CG 4.39Å; W55-L100 HydrophobicContact CZ2-CB 4.17Å; V67-L100 HydrophobicContact CG1-CD2 4.07Å; A68-L100 HydrophobicContact CB-CD1 4.24Å; F87-L100 HydrophobicContact CB-CD1 4.26Å; F87-L100 HydrophobicContact CD2-CD2 4.26Å; I89-L100 HydrophobicContact CB-CD1 4.31Å; L100-M102 HydrophobicContact CD2-CG 3.95Å; L100-M102 HydrophobicContact CD2-SD 3.79Å; L100-M102 HydrophobicContact CG-CG 3.85Å; L100-M102 HydrophobicContact CG-SD 4.34Å; L100-Y113 HydrophobicContact CD2-CD1 4.08Å; L100-Y113 HydrophobicContact CD2-CE1 4.24Å
101	Q	98.6	Very high	97.5	Very high	75 Å²	75	56.5 Å²	56.5	35%	0.35	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121.9	169.1	-177.8	62.3	48.3	0	0	108.4	L37 F87 T88	L37-Q101 PolarHBondContact O-NE2 3.4Å; F87-Q101 CarbonylContact C-O 3.46Å; F87-Q101 VanDerWaalsContact CA-O 3.26Å; F87-Q101 WeakPolarHBondContact CA-O 3.41Å; T88-Q101 PolarHBondContact N-O 3.15Å; T88-Q101 PolarHBondContact O-N 2.87Å
102	M	98.4	Very high	97.5	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.015	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.9	178.3	-59.1	-177.7	-63.7	0	0	108.8	S36 L37 L39 F87 L100 L105 Y113	S36-M102 CarbonylContact C-O 3.53Å; S36-M102 WeakPolarHBondContact CA-O 3.42Å; S36-M102 VanDerWaalsContact CB-O 3.25Å; S36-M102 WeakPolarHBondContact CB-O 3.49Å; L37-M102 HydrophobicContact CB-CE 3.79Å; L37-M102 HydrophobicContact CD2-CE 3.72Å; L37-M102 HydrophobicContact CG-CE 4.07Å; L37-M102 PolarHBondContact N-O 3.45Å; L37-M102 PolarHBondContact O-N 3.19Å; L39-M102 HydrophobicContact CD1-CE 3.81Å; L39-M102 HydrophobicContact CD1-SD 4.33Å; L39-M102 HydrophobicContact CD2-CE 4.02Å; L39-M102 HydrophobicContact CG-CE 3.61Å; F87-M102 HydrophobicContact CD1-CB 3.74Å; F87-M102 HydrophobicContact CD1-CG 3.77Å; F87-M102 HydrophobicContact CD2-CG 3.97Å; F87-M102 HydrophobicContact CD2-SD 4.27Å; F87-M102 HydrophobicContact CE1-CB 3.67Å; F87-M102 HydrophobicContact CE1-CG 3.82Å; F87-M102 HydrophobicContact CE1-SD 4.27Å; F87-M102 HydrophobicContact CE2-CG 3.98Å; F87-M102 HydrophobicContact CE2-SD 3.78Å; F87-M102 HydrophobicContact CG-CB 4.35Å; F87-M102 HydrophobicContact CG-CG 3.89Å; F87-M102 HydrophobicContact CZ-CB 4.18Å; F87-M102 HydrophobicContact CZ-CG 3.92Å; F87-M102 HydrophobicContact CZ-SD 3.79Å; L100-M102 HydrophobicContact CD2-CG 3.95Å; L100-M102 HydrophobicContact CD2-SD 3.79Å; L100-M102 HydrophobicContact CG-CG 3.85Å; L100-M102 HydrophobicContact CG-SD 4.34Å; M102-L105 HydrophobicContact CB-CD1 4.11Å; M102-L105 HydrophobicContact CB-CD2 3.9Å; M102-L105 HydrophobicContact CB-CG 4.11Å; M102-L105 HydrophobicContact CE-CD1 4.49Å; M102-L105 HydrophobicContact SD-CD2 4.24Å; M102-Y113 HydrophobicContact SD-CE1 4.05Å
103	S	98	Very high	97.5	Very high	33 Å²	33	59.9 Å²	59.9	23%	0.231	32%	0.316	C	S	.	.			trans	-127.7	155.7	177.8	68.7	0	0	0	0	110.6	R86 L105	R86-S103 WeakPolarHBondContact CB-O 3.41Å; R86-S103 PolarHBondContact O-N 3.42Å; R86-S103 PolarHBondContact O-OG 3.43Å; S103-L105 VanDerWaalsContact C-N 3.26Å; S103-L105 PolarHBondContact O-N 3.42Å
104	R	97.7	Very high	97.6	Very high	147 Å²	147	61.9 Å²	61.9	56%	0.555	32%	0.32	S	S	*	.	S	Bend	trans	51.7	49.5	178.9	-57.7	177.8	-71.5	-173.8	-0.7	110.8	G35 G85 R86	G35-R104 PolarHBondContact O-N 3.34Å; G35-R104 VanDerWaalsContact O-N 3.09Å; G85-R104 PolarHBondContact O-NH2 3.12Å; R86-R104 PolarHBondContact NH1-O 3.48Å; R86-R104 VanDerWaalsContact NH1-O 3.08Å
105	L	97.8	Very high	97.6	Very high	11 Å²	11	57.7 Å²	57.7	6%	0.058	29%	0.285	C	S	.	.			trans	-64.2	138	-178.4	-79.6	165.1	0	0	0	110.6	V31 G34 G35 L37 F87 M102 S103 D109	V31-L105 HydrophobicContact CG1-CD1 4.48Å; V31-L105 HydrophobicContact CG2-CB 4.24Å; V31-L105 HydrophobicContact CG2-CD1 3.76Å; G34-L105 PolarHBondContact N-O 2.74Å; G35-L105 PolarHBondContact O-N 3.25Å; L37-L105 HydrophobicContact CB-CD1 3.72Å; F87-L105 HydrophobicContact CE1-CD2 3.74Å; F87-L105 HydrophobicContact CZ-CD2 3.77Å; M102-L105 HydrophobicContact CB-CD1 4.11Å; M102-L105 HydrophobicContact CB-CD2 3.9Å; M102-L105 HydrophobicContact CB-CG 4.11Å; M102-L105 HydrophobicContact CE-CD1 4.49Å; M102-L105 HydrophobicContact SD-CD2 4.24Å; S103-L105 VanDerWaalsContact C-N 3.26Å; S103-L105 PolarHBondContact O-N 3.42Å; L105-D109 HydrophobicContact CD2-CB 3.64Å
106	K	96.6	Very high	97.7	Very high	101 Å²	101	53 Å²	53	44%	0.439	27%	0.271	S	S	.	.			trans	-113.5	166.3	177.8	-59.9	169.8	-178.9	-177.3	0	109.7	E108 D109	K106-E108 HydrophobicContact CB-CG 3.61Å; K106-E108 HydrophobicContact CD-CG 3.87Å; K106-E108 WeakPolarHBondContact CD-OE1 3.46Å; K106-E108 WeakPolarHBondContact CE-OE1 3.39Å; K106-E108 HydrophobicContact CG-CG 4.48Å; K106-E108 IonicContact NZ-OE1 2.8Å; K106-E108 PolarHBondContact NZ-OE1 3.1Å; K106-E108 PolarHBondContact O-N 3.31Å; K106-D109 PolarHBondContact N-OD2 3.1Å; K106-D109 WeakPolarHBondContact O-CB 3.47Å; K106-D109 PolarHBondContact O-N 3.35Å
107	S	94.8	Very high	97.5	Very high	103 Å²	103	55.3 Å²	55.3	72%	0.72	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-56	-37.6	174.7	50.2	0	0	0	0	112.4	D109 T110	S107-D109 PolarHBondContact O-N 3.33Å; S107-D109 VanDerWaalsContact O-N 3.17Å; S107-T110 VanDerWaalsContact O-CB 3.28Å; S107-T110 WeakPolarHBondContact O-CB 2.85Å; S107-T110 PolarHBondContact O-N 3.19Å; S107-T110 VanDerWaalsContact O-N 3.07Å; S107-T110 PolarHBondContact O-OG1 3.47Å
108	E	94.7	Very high	97.4	Very high	108 Å²	108	57.2 Å²	57.2	51%	0.505	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-61.6	-15	174.5	59.2	-177.4	-158.5	0	0	114.7	K106	K106-E108 HydrophobicContact CB-CG 3.61Å; K106-E108 HydrophobicContact CD-CG 3.87Å; K106-E108 WeakPolarHBondContact CD-OE1 3.46Å; K106-E108 WeakPolarHBondContact CE-OE1 3.39Å; K106-E108 HydrophobicContact CG-CG 4.48Å; K106-E108 IonicContact NZ-OE1 2.8Å; K106-E108 PolarHBondContact NZ-OE1 3.1Å; K106-E108 PolarHBondContact O-N 3.31Å
109	D	96.7	Very high	97.3	Very high	6 Å²	6	60.2 Å²	60.2	3%	0.032	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-89.5	-3.1	175.8	-59.5	-50.9	0	0	0	113.2	R57 R86 F87 L105 K106 S107 A111 Y113	R57-D109 IonicContact NH1-OD1 2.74Å; R57-D109 PolarHBondContact NH1-OD1 3.1Å; R86-D109 IonicContact CZ-OD1 3.84Å; R86-D109 IonicContact CZ-OD2 3.41Å; R86-D109 IonicContact NH1-OD1 3.76Å; R86-D109 IonicContact NH1-OD2 2.68Å; R86-D109 PolarHBondContact NH1-OD2 2.94Å; R86-D109 IonicContact NH2-OD1 2.8Å; R86-D109 PolarHBondContact NH2-OD1 3.17Å; R86-D109 IonicContact NH2-OD2 3.2Å; R86-D109 PolarHBondContact NH2-OD2 3.45Å; F87-D109 HydrophobicContact CZ-CB 4.15Å; L105-D109 HydrophobicContact CD2-CB 3.64Å; K106-D109 PolarHBondContact N-OD2 3.1Å; K106-D109 WeakPolarHBondContact O-CB 3.47Å; K106-D109 PolarHBondContact O-N 3.35Å; S107-D109 PolarHBondContact O-N 3.33Å; S107-D109 VanDerWaalsContact O-N 3.17Å; D109-A111 PolarHBondContact O-N 3.46Å; D109-A111 VanDerWaalsContact O-N 3.16Å; D109-Y113 WeakPolarHBondContact O-CE2 3.21Å; D109-Y113 PolarHBondContact O-OH 3.49Å
110	T	96.7	Very high	97.3	Very high	95 Å²	95	61.1 Å²	61.1	58%	0.583	31%	0.305	S	S	*	.			trans	-67.4	111.2	175.7	-52.8	0	0	0	0	109.3	P60 S107	P60-T110 WeakPolarHBondContact CD-O 3.25Å; S107-T110 VanDerWaalsContact O-CB 3.28Å; S107-T110 WeakPolarHBondContact O-CB 2.85Å; S107-T110 PolarHBondContact O-N 3.19Å; S107-T110 VanDerWaalsContact O-N 3.07Å; S107-T110 PolarHBondContact O-OG1 3.47Å
111	A	97.6	Very high	97.2	Very high	20 Å²	20	64.6 Å²	64.6	17%	0.165	32%	0.323	C	S	.	.	S	Bend	trans	-161.9	166.8	-175.8	0	0	0	0	0	110	R57 Q58 D109 Y113	R57-A111 HydrophobicContact CB-CB 3.86Å; R57-A111 HydrophobicContact CG-CB 4.21Å; Q58-A111 WeakPolarHBondContact O-CA 3.45Å; Q58-A111 VanDerWaalsContact O-CB 3.28Å; Q58-A111 WeakPolarHBondContact O-CB 3.47Å; D109-A111 PolarHBondContact O-N 3.46Å; D109-A111 VanDerWaalsContact O-N 3.16Å; A111-Y113 HydrophobicContact CB-CD2 4.3Å; A111-Y113 HydrophobicContact CB-CE2 3.79Å; A111-Y113 WeakPolarHBondContact O-CD2 3.32Å
112	M	97.8	Very high	97.1	Very high	116 Å²	116	64 Å²	64	57%	0.571	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	133.1	160.1	-63	-44.4	-32.7	0	0	110	R57 Q58 Y114	R57-M112 CarbonylContact C-O 3.43Å; R57-M112 WeakPolarHBondContact CA-O 3.28Å; Q58-M112 PolarHBondContact N-O 2.98Å; Q58-M112 PolarHBondContact O-N 3.31Å; M112-Y114 HydrophobicContact CB-CE2 3.74Å
113	Y	98.4	Very high	97	Very high	24 Å²	24	68.1 Å²	68.1	9%	0.094	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.8	-179.3	-72.9	-101.8	0	0	0	109.3	L39 V56 R57 V67 F87 L100 M102 D109 A111	L39-Y113 VanDerWaalsContact CD1-CB 3.46Å; L39-Y113 HydrophobicContact CD1-CD1 4.01Å; L39-Y113 HydrophobicContact CD1-CD2 4.16Å; L39-Y113 HydrophobicContact CD1-CG 3.62Å; V56-Y113 WeakPolarHBondContact O-CA 3.45Å; R57-Y113 HydrophobicContact CB-CD1 3.86Å; R57-Y113 HydrophobicContact CB-CD2 4.5Å; R57-Y113 HydrophobicContact CB-CE1 3.78Å; R57-Y113 HydrophobicContact CB-CE2 4.43Å; R57-Y113 HydrophobicContact CB-CG 4.21Å; R57-Y113 HydrophobicContact CG-CE1 4.45Å; R57-Y113 PolarHBondContact NH1-OH 3.37Å; V67-Y113 HydrophobicContact CG1-CE1 4.35Å; V67-Y113 HydrophobicContact CG2-CD1 4.46Å; V67-Y113 HydrophobicContact CG2-CE1 4.12Å; F87-Y113 HydrophobicContact CE2-CE1 4.24Å; L100-Y113 HydrophobicContact CD2-CD1 4.08Å; L100-Y113 HydrophobicContact CD2-CE1 4.24Å; M102-Y113 HydrophobicContact SD-CE1 4.05Å; D109-Y113 WeakPolarHBondContact O-CE2 3.21Å; D109-Y113 PolarHBondContact O-OH 3.49Å; A111-Y113 HydrophobicContact CB-CD2 4.3Å; A111-Y113 HydrophobicContact CB-CE2 3.79Å; A111-Y113 WeakPolarHBondContact O-CD2 3.32Å
114	Y	98.4	Very high	96.9	Very high	102 Å²	102	70.6 Å²	70.6	40%	0.4	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139	180	-57.7	-81.3	0	0	0	109.2	E25 W55 V56 Q58 M112	E25-Y114 VanDerWaalsContact OE1-CA 3.29Å; E25-Y114 WeakPolarHBondContact OE1-CA 3.43Å; W55-Y114 WeakPolarHBondContact CA-O 3.33Å; V56-Y114 PolarHBondContact N-O 3.28Å; V56-Y114 PolarHBondContact O-N 2.64Å; Q58-Y114 HydrophobicContact CB-CE2 4.01Å; M112-Y114 HydrophobicContact CB-CE2 3.74Å
115	C	98.3	Very high	96.9	Very high	9 Å²	9	64.7 Å²	64.7	6%	0.061	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	146.1	165.3	54.3	0	0	0	0	109.8	L23 E25 C41 Y54 W55 L98	L23-C115 WeakPolarHBondContact CD1-O 3.46Å; E25-C115 VanDerWaalsContact CD-SG 3.59Å; E25-C115 PolarHBondContact OE1-N 3.09Å; E25-C115 PolarHBondContact OE1-SG 3.07Å; C41-C115 HydrophobicContact CB-CB 3.47Å; C41-C115 VanDerWaalsContact CB-CB 3.47Å; C41-C115 WeakPolarHBondContact CB-SG 3.38Å; C41-C115 WeakPolarHBondContact SG-CB 3.5Å; C41-C115 CovalentContact SG-SG 2.01Å; C41-C115 PolarHBondContact SG-SG 2.85Å; Y54-C115 VanDerWaalsContact O-CA 3.31Å; Y54-C115 WeakPolarHBondContact O-CA 3.41Å; W55-C115 HydrophobicContact CD2-CB 4.49Å; W55-C115 HydrophobicContact CE3-CB 4.35Å; W55-C115 HydrophobicContact CH2-CB 4.3Å; W55-C115 HydrophobicContact CZ2-CB 4.43Å; W55-C115 HydrophobicContact CZ3-CB 4.26Å; L98-C115 HydrophobicContact CD2-CB 3.92Å
116	A	97.8	Very high	96.8	Very high	35 Å²	35	69.2 Å²	69.2	29%	0.289	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	156.1	176.9	0	0	0	0	0	110.4	M53 Y54	M53-A116 WeakPolarHBondContact CA-O 3.42Å; M53-A116 WeakPolarHBondContact CE-O 3.41Å; Y54-A116 PolarHBondContact N-O 2.74Å; Y54-A116 PolarHBondContact O-N 2.9Å
117	R	93.6	Very high	96.8	Very high	111 Å²	111	66.3 Å²	66.3	42%	0.419	35%	0.349	S	S	.	.			trans	-113.9	0	172	71.2	177	-175.2	149.2	3.6	110.1	F46 Y51 Y52 M53	F46-R117 VanDerWaalsContact CB-NH1 3.29Å; F46-R117 HydrophobicContact CE2-CB 4.5Å; F46-R117 VanDerWaalsContact CG-NH1 3.32Å; F46-R117 HydrophobicContact CZ-CB 4.46Å; Y51-R117 HydrophobicContact CD1-CB 4.36Å; Y51-R117 HydrophobicContact CD1-CG 4.39Å; Y51-R117 HydrophobicContact CG-CB 4.49Å; Y52-R117 WeakPolarHBondContact O-CA 3.48Å; M53-R117 HydrophobicContact CE-CB 4.3Å; M53-R117 HydrophobicContact SD-CB 3.75Å

Retrieved 117 of 117 residues in 164.4 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).