A0A075B5R8_MOUSE Loading...

Immunoglobulin heavy variable V11-2

AlphaFold DB , UniProt , Accession A0A075B5R8, Species MOUSE (Mus musculus, Mouse), Gene Ighv11-2, Length 117 aa.

						>A0A075B5R8_MOUSE|A0A075B5R8|Ighv11-2
MEWELSLIFIFALLKDVQCEVQLLETGGGLVQPGGSRGLSCEGSGFTFSGFWMSWVRQTPGKTLEWIGDINSDGSAINYAPSIKDRFTIFRDNDKSTLYLQMSNVRSEDTATYFCMR
					

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	62	Low	66.8	Low	188 Å²	188	123.8 Å²	123.8	93%	0.926	60%	0.595	S	S	*	*				0	-25.1	0	-144.8	161.2	62.4	0	0	112.4
2	E	66.9	Low	66.9	Low	169 Å²	169	119 Å²	119	79%	0.79	59%	0.591	S	S	*	*	H	α-helix	trans	-79.8	-27.9	178.1	-58.6	-157.1	161.6	0	0	115.1	L5 S6	E2-L5 PolarHBondContact O-N 3.29Å; E2-S6 PolarHBondContact O-N 3.38Å; E2-S6 VanDerWaalsContact O-N 3.12Å
3	W	63.2	Low	66.7	Low	168 Å²	168	119.9 Å²	119.9	64%	0.636	60%	0.598	S	S	*	*	H	α-helix	trans	-69.2	-34.1	-179.9	52.9	-92.4	0	0	0	113.3	S6 L7	W3-S6 PolarHBondContact O-N 3.41Å; W3-L7 PolarHBondContact O-N 3.03Å; W3-L7 VanDerWaalsContact O-N 3.15Å
4	E	69.3	Low	66.4	Low	99 Å²	99	119.1 Å²	119.1	46%	0.463	60%	0.596	S	S	.	*	H	α-helix	trans	-61.4	-46.9	173.2	-71.4	-81.9	167.8	0	0	111.3	S6 L7 I8	E4-S6 VanDerWaalsContact C-N 3.3Å; E4-S6 PolarHBondContact O-N 2.78Å; E4-L7 PolarHBondContact O-N 2.97Å; E4-I8 WeakPolarHBondContact O-CG1 3.45Å; E4-I8 PolarHBondContact O-N 3.43Å; E4-I8 VanDerWaalsContact O-N 3.09Å
5	L	66.9	Low	65.9	Low	110 Å²	110	122.1 Å²	122.1	58%	0.576	60%	0.603	S	S	*	*	H	α-helix	trans	-64.1	-37.3	178	-65.7	173	0	0	0	111.7	E2 I8 F9	E2-L5 PolarHBondContact O-N 3.29Å; L5-I8 PolarHBondContact O-N 3.01Å; L5-F9 PolarHBondContact O-N 2.88Å
6	S	73.8	Confident	65.3	Low	71 Å²	71	123.2 Å²	123.2	50%	0.497	61%	0.612	S	S	.	*	H	α-helix	trans	-66.2	-37.5	178.7	-152.3	0	0	0	0	112.2	E2 W3 E4 F9 I10	E2-S6 PolarHBondContact O-N 3.38Å; E2-S6 VanDerWaalsContact O-N 3.12Å; W3-S6 PolarHBondContact O-N 3.41Å; E4-S6 VanDerWaalsContact C-N 3.3Å; E4-S6 PolarHBondContact O-N 2.78Å; S6-F9 PolarHBondContact O-N 3.46Å; S6-I10 WeakPolarHBondContact O-CD1 3.17Å; S6-I10 VanDerWaalsContact O-CG1 3.32Å; S6-I10 WeakPolarHBondContact O-CG1 3.31Å; S6-I10 PolarHBondContact O-N 3.15Å; S6-I10 VanDerWaalsContact O-N 3.13Å
7	L	65.8	Low	65	Low	85 Å²	85	122.5 Å²	122.5	45%	0.445	62%	0.616	S	S	.	*	H	α-helix	trans	-69.2	-43	174.8	-72.2	172.6	0	0	0	111.9	W3 E4 F9 I10 F11	W3-L7 PolarHBondContact O-N 3.03Å; W3-L7 VanDerWaalsContact O-N 3.15Å; E4-L7 PolarHBondContact O-N 2.97Å; L7-F9 PolarHBondContact O-N 3.27Å; L7-I10 PolarHBondContact O-N 3.41Å; L7-I10 VanDerWaalsContact O-N 3.12Å; L7-F11 WeakPolarHBondContact O-CD2 3.39Å; L7-F11 PolarHBondContact O-N 2.93Å
8	I	71.4	Confident	64.7	Low	106 Å²	106	120.9 Å²	120.9	54%	0.544	61%	0.606	S	S	.	*	H	α-helix	trans	-57.9	-41.4	175.3	-67.2	167.2	0	0	0	110.4	E4 L5 F11 A12	E4-I8 WeakPolarHBondContact O-CG1 3.45Å; E4-I8 PolarHBondContact O-N 3.43Å; E4-I8 VanDerWaalsContact O-N 3.09Å; L5-I8 PolarHBondContact O-N 3.01Å; I8-F11 PolarHBondContact O-N 3.1Å; I8-A12 WeakPolarHBondContact O-CB 3.45Å; I8-A12 PolarHBondContact O-N 2.65Å
9	F	64.9	Low	65.2	Low	150 Å²	150	120.8 Å²	120.8	66%	0.658	62%	0.617	S	S	*	*	H	α-helix	trans	-61.6	-43.6	174.3	-109.4	-87.6	0	0	0	112.8	L5 S6 L7 A12 L13	L5-F9 PolarHBondContact O-N 2.88Å; S6-F9 PolarHBondContact O-N 3.46Å; L7-F9 PolarHBondContact O-N 3.27Å; F9-A12 PolarHBondContact O-N 2.92Å; F9-L13 WeakPolarHBondContact O-CG 3.38Å; F9-L13 PolarHBondContact O-N 2.77Å; F9-L13 VanDerWaalsContact O-N 3.12Å
10	I	66.4	Low	66.4	Low	81 Å²	81	121.5 Å²	121.5	42%	0.415	62%	0.617	S	S	.	*	H	α-helix	trans	-64.4	-44.1	178.6	-67	161.3	0	0	0	111.3	S6 L7 A12 L13 L14	S6-I10 WeakPolarHBondContact O-CD1 3.17Å; S6-I10 VanDerWaalsContact O-CG1 3.32Å; S6-I10 WeakPolarHBondContact O-CG1 3.31Å; S6-I10 PolarHBondContact O-N 3.15Å; S6-I10 VanDerWaalsContact O-N 3.13Å; L7-I10 PolarHBondContact O-N 3.41Å; L7-I10 VanDerWaalsContact O-N 3.12Å; I10-A12 VanDerWaalsContact C-N 3.29Å; I10-A12 PolarHBondContact O-N 2.86Å; I10-L13 PolarHBondContact O-N 3.3Å; I10-L13 VanDerWaalsContact O-N 3.14Å; I10-L14 HydrophobicContact CG2-CD1 3.94Å; I10-L14 HydrophobicContact CG2-CG 4.43Å; I10-L14 WeakPolarHBondContact O-CG 3.15Å; I10-L14 PolarHBondContact O-N 2.67Å
11	F	64.3	Low	67.6	Low	135 Å²	135	119 Å²	119	59%	0.592	61%	0.608	S	S	*	*	H	α-helix	trans	-66.5	-31	176.6	-76.2	-68.4	0	0	0	112.7	L7 I8 L13 K15	L7-F11 WeakPolarHBondContact O-CD2 3.39Å; L7-F11 PolarHBondContact O-N 2.93Å; I8-F11 PolarHBondContact O-N 3.1Å; F11-L13 VanDerWaalsContact C-N 3.32Å; F11-K15 WeakPolarHBondContact O-CG 3.48Å
12	A	67.6	Low	69.2	Low	66 Å²	66	113.6 Å²	113.6	55%	0.545	58%	0.58	S	S	.	*	H	α-helix	trans	-65.8	-35.4	172.2	0	0	0	0	0	112	I8 F9 I10	I8-A12 WeakPolarHBondContact O-CB 3.45Å; I8-A12 PolarHBondContact O-N 2.65Å; F9-A12 PolarHBondContact O-N 2.92Å; I10-A12 VanDerWaalsContact C-N 3.29Å; I10-A12 PolarHBondContact O-N 2.86Å
13	L	64.4	Low	70.6	Confident	131 Å²	131	107.9 Å²	107.9	69%	0.686	56%	0.555	S	S	*	*	H	α-helix	trans	-76	-29.7	178.6	-66.6	169.8	0	0	0	113.7	F9 I10 F11	F9-L13 WeakPolarHBondContact O-CG 3.38Å; F9-L13 PolarHBondContact O-N 2.77Å; F9-L13 VanDerWaalsContact O-N 3.12Å; I10-L13 PolarHBondContact O-N 3.3Å; I10-L13 VanDerWaalsContact O-N 3.14Å; F11-L13 VanDerWaalsContact C-N 3.32Å
14	L	62.9	Low	72.3	Confident	108 Å²	108	104.8 Å²	104.8	57%	0.565	55%	0.55	S	S	*	*	H	α-helix	trans	-82.8	-10.2	-178.3	-70	173.6	0	0	0	114.4	I10 D16	I10-L14 HydrophobicContact CG2-CD1 3.94Å; I10-L14 HydrophobicContact CG2-CG 4.43Å; I10-L14 WeakPolarHBondContact O-CG 3.15Å; I10-L14 PolarHBondContact O-N 2.67Å; L14-D16 PolarHBondContact O-N 3.5Å; L14-D16 VanDerWaalsContact O-N 3.11Å
15	K	58.3	Low	73.6	Confident	164 Å²	164	103.3 Å²	103.3	71%	0.713	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-3.6	-177.3	-82.5	179.3	-178.9	-167.7	0	114.8	F11	F11-K15 WeakPolarHBondContact O-CG 3.48Å
16	D	56.6	Low	75.1	Confident	140 Å²	140	101.3 Å²	101.3	75%	0.749	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	19.6	-175	-108.9	-20.7	0	0	0	115.5	L14 Q18	L14-D16 PolarHBondContact O-N 3.5Å; L14-D16 VanDerWaalsContact O-N 3.11Å; D16-Q18 VanDerWaalsContact C-N 3.34Å; D16-Q18 PolarHBondContact O-N 3.16Å
17	V	60.8	Low	76.2	Confident	112 Å²	112	99.3 Å²	99.3	68%	0.679	53%	0.527	S	S	*	.			trans	-88.1	78.4	163.8	-175.5	0	0	0	0	108.9	C19	V17-C19 PolarHBondContact O-N 2.69Å
18	Q	59.2	Low	77.6	Confident	93 Å²	93	98 Å²	98	44%	0.435	53%	0.534	S	S	.	.			trans	-74.2	89.8	172.6	-63.1	-67.3	-41	0	0	109.3	D16 E20	D16-Q18 VanDerWaalsContact C-N 3.34Å; D16-Q18 PolarHBondContact O-N 3.16Å; Q18-E20 VanDerWaalsContact C-N 3.3Å
19	C	73.4	Confident	78.8	Confident	119 Å²	119	95.8 Å²	95.8	80%	0.804	54%	0.537	S	S	*	.			trans	-89.5	0.9	174.5	-136	0	0	0	0	112.5	V17	V17-C19 PolarHBondContact O-N 2.69Å
20	E	89.2	Confident	80.2	Confident	135 Å²	135	97 Å²	97	63%	0.631	55%	0.55	S	S	*	.	S	Bend	trans	-93.7	134.9	179.4	-173	169.3	-165.5	0	0	109.9	Q18 Q22	Q18-E20 VanDerWaalsContact C-N 3.3Å; E20-Q22 HydrophobicContact CG-CG 4.49Å; E20-Q22 PolarHBondContact O-N 3.05Å
21	V	92	Very high	81.6	Confident	68 Å²	68	95.8 Å²	95.8	41%	0.412	55%	0.546	S	S	.	.			trans	-69.6	121.8	172.9	172.2	0	0	0	0	108.4	S44 F46	V21-S44 WeakPolarHBondContact CA-O 3.34Å; V21-F46 HydrophobicContact CG1-CD1 3.82Å; V21-F46 HydrophobicContact CG1-CE1 4.14Å; V21-F46 HydrophobicContact CG2-CB 4.43Å; V21-F46 HydrophobicContact CG2-CD1 4.46Å
22	Q	95.5	Very high	83	Confident	75 Å²	75	96.7 Å²	96.7	35%	0.35	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.2	147.4	177	-61.9	175.3	18.3	0	0	110.8	E20 G43 S44	E20-Q22 HydrophobicContact CG-CG 4.49Å; E20-Q22 PolarHBondContact O-N 3.05Å; Q22-G43 WeakPolarHBondContact O-CA 3.21Å; Q22-S44 PolarHBondContact N-O 3.02Å; Q22-S44 PolarHBondContact O-N 3.48Å
23	L	97.3	Very high	84.3	Confident	49 Å²	49	98.5 Å²	98.5	26%	0.257	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.5	123.2	171.1	-68	178.1	0	0	0	106.5	E42 F46 M53 C115	L23-E42 CarbonylContact C-O 3.48Å; L23-E42 WeakPolarHBondContact CA-O 3.32Å; L23-F46 HydrophobicContact CD2-CE1 3.97Å; L23-F46 HydrophobicContact CD2-CZ 3.85Å; L23-M53 HydrophobicContact CD2-CE 3.88Å; L23-C115 WeakPolarHBondContact CD1-O 3.42Å
24	L	97.4	Very high	85.8	Confident	104 Å²	104	94.3 Å²	94.3	55%	0.545	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	100.8	-174.5	179	62.2	0	0	0	110.9	T26 C41 E42	L24-T26 HydrophobicContact CG-CG2 4.41Å; L24-C41 WeakPolarHBondContact O-CA 3.32Å; L24-E42 PolarHBondContact N-O 3.35Å; L24-E42 PolarHBondContact O-N 2.99Å
25	E	98.4	Very high	87.4	Confident	67 Å²	67	90.2 Å²	90.2	31%	0.313	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	137.2	176.2	-60.7	88.5	162.9	0	0	113.1	S40 C41 W55 F114 C115	E25-S40 CarbonylContact C-O 3.59Å; E25-S40 VanDerWaalsContact CA-O 3.27Å; E25-S40 WeakPolarHBondContact CA-O 3.28Å; E25-C41 HydrophobicContact CG-CB 4.27Å; E25-W55 HydrophobicContact CG-CH2 4.38Å; E25-W55 HydrophobicContact CG-CZ3 4.15Å; E25-F114 VanDerWaalsContact OE1-CA 3.29Å; E25-F114 WeakPolarHBondContact OE1-CA 3.34Å; E25-C115 PolarHBondContact OE1-N 2.71Å; E25-C115 PolarHBondContact OE1-SG 3.05Å
26	T	98.1	Very high	89.2	Confident	68 Å²	68	86.1 Å²	86.1	42%	0.417	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	168.4	179.6	52.2	0	0	0	0	111.1	L24 L39 S40	L24-T26 HydrophobicContact CG-CG2 4.41Å; T26-L39 WeakPolarHBondContact O-CA 3.31Å; T26-S40 PolarHBondContact N-O 3.37Å; T26-S40 PolarHBondContact O-N 3.17Å; T26-S40 PolarHBondContact OG1-O 3.12Å; T26-S40 PolarHBondContact OG1-OG 3.41Å
27	G	97.1	Very high	91.1	Very high	30 Å²	30	82.8 Å²	82.8	31%	0.309	50%	0.499	S	S	.	.			trans	91.5	5.2	179.4	0	0	0	0	0	115.3	R37 L39	G27-R37 WeakPolarHBondContact O-CD 3.46Å; G27-R37 VanDerWaalsContact O-CZ 3.27Å; G27-R37 PolarHBondContact O-NE 3.26Å; G27-R37 VanDerWaalsContact O-NE 3.15Å; G27-R37 PolarHBondContact O-NH1 3.29Å; G27-L39 VanDerWaalsContact C-CD2 3.48Å; G27-L39 WeakPolarHBondContact O-CD2 3.08Å
28	G	95.4	Very high	92.8	Very high	57 Å²	57	79 Å²	79	59%	0.588	48%	0.482	S	S	*	.			trans	-64.8	177.5	176.3	0	0	0	0	0	114.8	R37	G28-R37 PolarHBondContact O-NH2 3.13Å
29	G	95.2	Very high	94.7	Very high	60 Å²	60	75.3 Å²	75.3	62%	0.619	47%	0.466	S	S	*	.	S	Bend	trans	114.7	178.6	176	0	0	0	0	0	113.5	R37	G29-R37 VanDerWaalsContact CA-NH2 3.31Å; G29-R37 PolarHBondContact O-NH2 3.48Å
30	L	95.1	Very high	95.9	Very high	176 Å²	176	71 Å²	71	92%	0.921	44%	0.437	S	S	*	.			trans	-64.2	143.1	-172.3	-59.3	175	0	0	0	113.1	R37	L30-R37 PolarHBondContact O-NH2 3.01Å
31	V	94.8	Very high	96.4	Very high	54 Å²	54	64.6 Å²	64.6	33%	0.327	41%	0.407	S	S	.	.			trans	-139.1	143.1	173.5	62.7	0	0	0	0	108.4	R37 V105	V31-R37 HydrophobicContact CG2-CB 4.47Å; V31-V105 HydrophobicContact CG1-CB 4.14Å; V31-V105 HydrophobicContact CG1-CG1 3.69Å; V31-V105 HydrophobicContact CG1-CG2 4.44Å
32	Q	94.3	Very high	96.6	Very high	154 Å²	154	66.4 Å²	66.4	72%	0.72	41%	0.411	S	S	*	.			trans	-71.1	146	175.6	-66.1	-64.9	-16.7	0	0	110.3	G34 G35	Q32-G34 PolarHBondContact O-N 3.23Å; Q32-G35 WeakPolarHBondContact O-CA 3.41Å; Q32-G35 PolarHBondContact O-N 2.86Å
33	P	94.3	Very high	96.7	Very high	104 Å²	104	63 Å²	63	68%	0.675	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	135.4	170.6	-25.4	34.7	0	0	0	111.7	G35 V105	P33-G35 PolarHBondContact O-N 2.93Å; P33-V105 CarbonylContact C-O 3.53Å; P33-V105 WeakPolarHBondContact CA-O 3.22Å
34	G	95.8	Very high	96.6	Very high	44 Å²	44	62.5 Å²	62.5	45%	0.454	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	-7.8	-172.5	0	0	0	0	0	114.6	Q32 V105	Q32-G34 PolarHBondContact O-N 3.23Å; G34-V105 PolarHBondContact N-O 2.82Å
35	G	96.8	Very high	96.5	Very high	22 Å²	22	59.4 Å²	59.4	23%	0.227	39%	0.39	C	S	.	.			trans	-70.7	-178.3	177.9	0	0	0	0	0	113.8	Q32 P33 N104 V105	Q32-G35 WeakPolarHBondContact O-CA 3.41Å; Q32-G35 PolarHBondContact O-N 2.86Å; P33-G35 PolarHBondContact O-N 2.93Å; G35-N104 PolarHBondContact O-N 3.17Å; G35-N104 VanDerWaalsContact O-N 3.1Å; G35-V105 PolarHBondContact O-N 3.12Å
36	S	96.9	Very high	96.3	Very high	77 Å²	77	57.8 Å²	57.8	54%	0.538	38%	0.382	S	S	.	.			trans	-125.9	151	176.9	-61.3	0	0	0	0	110.6	M102	S36-M102 CarbonylContact C-O 3.58Å; S36-M102 WeakPolarHBondContact CA-O 3.44Å; S36-M102 VanDerWaalsContact CB-O 3.31Å; S36-M102 WeakPolarHBondContact CB-O 3.42Å
37	R	96	Very high	96.1	Very high	71 Å²	71	59.2 Å²	59.2	27%	0.268	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	135.9	-179.4	174	68.4	101.4	171.6	7	110.4	G27 G28 G29 L30 V31 L39 Q101 M102	G27-R37 WeakPolarHBondContact O-CD 3.46Å; G27-R37 VanDerWaalsContact O-CZ 3.27Å; G27-R37 PolarHBondContact O-NE 3.26Å; G27-R37 VanDerWaalsContact O-NE 3.15Å; G27-R37 PolarHBondContact O-NH1 3.29Å; G28-R37 PolarHBondContact O-NH2 3.13Å; G29-R37 VanDerWaalsContact CA-NH2 3.31Å; G29-R37 PolarHBondContact O-NH2 3.48Å; L30-R37 PolarHBondContact O-NH2 3.01Å; V31-R37 HydrophobicContact CG2-CB 4.47Å; R37-L39 HydrophobicContact CG-CD2 4.22Å; R37-Q101 PolarHBondContact O-NE2 2.94Å; R37-M102 HydrophobicContact CB-CE 3.8Å; R37-M102 HydrophobicContact CG-CE 3.6Å; R37-M102 PolarHBondContact N-O 2.99Å; R37-M102 WeakPolarHBondContact O-CA 3.05Å; R37-M102 WeakPolarHBondContact O-CB 3.27Å; R37-M102 PolarHBondContact O-N 2.86Å
38	G	97.4	Very high	96.1	Very high	31 Å²	31	58 Å²	58	32%	0.32	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	135	168.6	0	0	0	0	0	110.8	L100	G38-L100 WeakPolarHBondContact CA-O 3.34Å
39	L	98.4	Very high	96.2	Very high	16 Å²	16	58 Å²	58	8%	0.084	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	153.3	162.5	-51.8	-178.5	0	0	0	109.4	T26 G27 R37 W55 Y99 L100 M102 Y113	T26-L39 WeakPolarHBondContact O-CA 3.31Å; G27-L39 VanDerWaalsContact C-CD2 3.48Å; G27-L39 WeakPolarHBondContact O-CD2 3.08Å; R37-L39 HydrophobicContact CG-CD2 4.22Å; L39-W55 HydrophobicContact CB-CH2 3.9Å; L39-W55 HydrophobicContact CB-CZ2 4.31Å; L39-W55 HydrophobicContact CB-CZ3 4.48Å; L39-W55 HydrophobicContact CD1-CZ3 4.34Å; L39-Y99 WeakPolarHBondContact O-CA 3.29Å; L39-L100 HydrophobicContact CB-CB 4.29Å; L39-L100 HydrophobicContact CD1-CD2 4.18Å; L39-L100 PolarHBondContact N-O 3.46Å; L39-L100 PolarHBondContact O-N 2.86Å; L39-M102 HydrophobicContact CD1-CE 3.88Å; L39-M102 HydrophobicContact CD2-CE 3.99Å; L39-M102 HydrophobicContact CG-CE 3.6Å; L39-Y113 HydrophobicContact CD1-CD1 4.04Å; L39-Y113 HydrophobicContact CD1-CD2 4.02Å; L39-Y113 HydrophobicContact CD1-CG 3.59Å
40	S	98.6	Very high	96.2	Very high	29 Å²	29	57.3 Å²	57.3	20%	0.203	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.2	171.9	32.5	0	0	0	0	110.2	E25 T26 L98	E25-S40 CarbonylContact C-O 3.59Å; E25-S40 VanDerWaalsContact CA-O 3.27Å; E25-S40 WeakPolarHBondContact CA-O 3.28Å; T26-S40 PolarHBondContact N-O 3.37Å; T26-S40 PolarHBondContact O-N 3.17Å; T26-S40 PolarHBondContact OG1-O 3.12Å; T26-S40 PolarHBondContact OG1-OG 3.41Å; S40-L98 CarbonylContact C-O 3.57Å; S40-L98 WeakPolarHBondContact CA-O 3.37Å
41	C	98.6	Very high	96.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	111	172.3	161.7	0	0	0	0	108.8	L24 E25 W55 T97 L98 C115	L24-C41 WeakPolarHBondContact O-CA 3.32Å; E25-C41 HydrophobicContact CG-CB 4.27Å; C41-W55 HydrophobicContact CB-CH2 3.79Å; C41-W55 HydrophobicContact CB-CZ2 3.97Å; C41-T97 CarbonylContact O-C 3.5Å; C41-T97 VanDerWaalsContact O-CA 3.31Å; C41-T97 WeakPolarHBondContact O-CA 3.32Å; C41-L98 HydrophobicContact CB-CB 4.27Å; C41-L98 PolarHBondContact N-O 2.83Å; C41-L98 PolarHBondContact O-N 3.15Å; C41-C115 HydrophobicContact CB-CB 3.44Å; C41-C115 VanDerWaalsContact CB-CB 3.44Å; C41-C115 WeakPolarHBondContact CB-SG 3.49Å; C41-C115 WeakPolarHBondContact SG-CB 3.49Å; C41-C115 CovalentContact SG-SG 2Å; C41-C115 PolarHBondContact SG-SG 3.41Å
42	E	98.1	Very high	96.4	Very high	107 Å²	107	55.5 Å²	55.5	50%	0.5	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125.6	177.1	-170.7	179.2	119.7	0	0	109.6	L23 L24	L23-E42 CarbonylContact C-O 3.48Å; L23-E42 WeakPolarHBondContact CA-O 3.32Å; L24-E42 PolarHBondContact N-O 3.35Å; L24-E42 PolarHBondContact O-N 2.99Å
43	G	97.1	Very high	96.6	Very high	3 Å²	3	48.1 Å²	48.1	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	134.3	177.8	0	0	0	0	0	112.5	Q22 S96	Q22-G43 WeakPolarHBondContact O-CA 3.21Å; G43-S96 PolarHBondContact N-O 3.35Å; G43-S96 WeakPolarHBondContact O-CB 3.26Å
44	S	95.5	Very high	96.8	Very high	38 Å²	38	44.3 Å²	44.3	27%	0.266	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	160.7	176.7	70.2	0	0	0	0	111.7	V21 Q22 F46	V21-S44 WeakPolarHBondContact CA-O 3.34Å; Q22-S44 PolarHBondContact N-O 3.02Å; Q22-S44 PolarHBondContact O-N 3.48Å; S44-F46 VanDerWaalsContact C-N 3.34Å; S44-F46 WeakPolarHBondContact O-CD1 3.29Å
45	G	94.1	Very high	96.9	Very high	40 Å²	40	42.2 Å²	42.2	41%	0.412	26%	0.258	S	S	.	.	S	Bend	trans	79.3	9.5	-176.2	0	0	0	0	0	115.2
46	F	93.9	Very high	97	Very high	33 Å²	33	41.6 Å²	41.6	15%	0.145	25%	0.25	C	S	.	.	S	Bend	trans	-153.8	164.1	175.1	65.4	-79.3	0	0	0	112.2	V21 L23 S44 F48 F51 M53 R117	V21-F46 HydrophobicContact CG1-CD1 3.82Å; V21-F46 HydrophobicContact CG1-CE1 4.14Å; V21-F46 HydrophobicContact CG2-CB 4.43Å; V21-F46 HydrophobicContact CG2-CD1 4.46Å; L23-F46 HydrophobicContact CD2-CE1 3.97Å; L23-F46 HydrophobicContact CD2-CZ 3.85Å; S44-F46 VanDerWaalsContact C-N 3.34Å; S44-F46 WeakPolarHBondContact O-CD1 3.29Å; F46-F48 VanDerWaalsContact CE2-CA 3.5Å; F46-F48 HydrophobicContact CE2-CB 4.06Å; F46-F48 AromaticContact CE2-CD2 3.84Å; F46-F48 HydrophobicContact CE2-CD2 3.84Å; F46-F48 HydrophobicContact CE2-CG 4.35Å; F46-F48 AromaticContact CZ-CD2 3.77Å; F46-F48 HydrophobicContact CZ-CD2 3.77Å; F46-F48 PolarHBondContact O-N 2.98Å; F46-F51 AromaticContact CD2-CD2 3.76Å; F46-F51 HydrophobicContact CD2-CD2 3.76Å; F46-F51 HydrophobicContact CD2-CE2 4.12Å; F46-F51 HydrophobicContact CE2-CD2 4.3Å; F46-M53 HydrophobicContact CE2-SD 4.32Å; F46-R117 HydrophobicContact CD2-CG 4.41Å; F46-R117 HydrophobicContact CE2-CG 4.02Å; F46-R117 HydrophobicContact CZ-CG 4.5Å
47	T	95.1	Very high	97	Very high	97 Å²	97	38.8 Å²	38.8	60%	0.595	23%	0.227	S	C	*	.			trans	-73.5	91.2	172.3	-51.7	0	0	0	0	110	S49 G50 F51	T47-S49 VanDerWaalsContact C-N 3.31Å; T47-S49 PolarHBondContact O-N 3.31Å; T47-G50 WeakPolarHBondContact O-CA 3.29Å; T47-G50 PolarHBondContact O-N 2.98Å; T47-F51 VanDerWaalsContact O-CD2 3.29Å; T47-F51 WeakPolarHBondContact O-CD2 3.49Å
48	F	96.5	Very high	97.1	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.018	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-52.3	-44.1	-174.6	-176.9	-94.8	0	0	0	114.2	F46 G50 F51 M53 R91 N93 S96 L98	F46-F48 VanDerWaalsContact CE2-CA 3.5Å; F46-F48 HydrophobicContact CE2-CB 4.06Å; F46-F48 AromaticContact CE2-CD2 3.84Å; F46-F48 HydrophobicContact CE2-CD2 3.84Å; F46-F48 HydrophobicContact CE2-CG 4.35Å; F46-F48 AromaticContact CZ-CD2 3.77Å; F46-F48 HydrophobicContact CZ-CD2 3.77Å; F46-F48 PolarHBondContact O-N 2.98Å; F48-G50 PolarHBondContact O-N 3.12Å; F48-G50 VanDerWaalsContact O-N 3.17Å; F48-F51 PolarHBondContact O-N 3.42Å; F48-M53 HydrophobicContact CD2-SD 4.29Å; F48-M53 HydrophobicContact CE2-CE 3.9Å; F48-M53 HydrophobicContact CE2-CG 3.89Å; F48-M53 HydrophobicContact CE2-SD 3.98Å; F48-M53 HydrophobicContact CZ-CG 3.89Å; F48-R91 HydrophobicContact CE1-CB 4.3Å; F48-R91 PolarHBondContact O-NH2 3.15Å; F48-N93 WeakPolarHBondContact CD1-OD1 3Å; F48-S96 WeakPolarHBondContact CD2-O 3.5Å; F48-S96 WeakPolarHBondContact CE2-O 3.46Å; F48-L98 HydrophobicContact CZ-CB 4.1Å
49	S	96.7	Very high	97	Very high	57 Å²	57	39 Å²	39	40%	0.399	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-63	-17.8	176.3	56	0	0	0	0	114.1	T47 F51 S72	T47-S49 VanDerWaalsContact C-N 3.31Å; T47-S49 PolarHBondContact O-N 3.31Å; S49-F51 VanDerWaalsContact C-N 3.29Å; S49-F51 PolarHBondContact O-N 3.09Å; S49-S72 WeakPolarHBondContact O-CB 3.4Å; S49-S72 PolarHBondContact O-OG 2.81Å; S49-S72 VanDerWaalsContact O-OG 3.1Å
50	G	96.1	Very high	96.8	Very high	47 Å²	47	43.1 Å²	43.1	49%	0.485	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-79.7	-4.9	-179.9	0	0	0	0	0	115	T47 F48	T47-G50 WeakPolarHBondContact O-CA 3.29Å; T47-G50 PolarHBondContact O-N 2.98Å; F48-G50 PolarHBondContact O-N 3.12Å; F48-G50 VanDerWaalsContact O-N 3.17Å
51	F	96.7	Very high	96.6	Very high	76 Å²	76	46.2 Å²	46.2	33%	0.333	29%	0.289	S	S	.	.	S	Bend	trans	-128	150.1	-173.2	-63.3	-89.4	0	0	0	112.5	F46 T47 F48 S49 M53 R91 R117	F46-F51 AromaticContact CD2-CD2 3.76Å; F46-F51 HydrophobicContact CD2-CD2 3.76Å; F46-F51 HydrophobicContact CD2-CE2 4.12Å; F46-F51 HydrophobicContact CE2-CD2 4.3Å; T47-F51 VanDerWaalsContact O-CD2 3.29Å; T47-F51 WeakPolarHBondContact O-CD2 3.49Å; F48-F51 PolarHBondContact O-N 3.42Å; S49-F51 VanDerWaalsContact C-N 3.29Å; S49-F51 PolarHBondContact O-N 3.09Å; F51-M53 HydrophobicContact CB-SD 4.38Å; F51-R91 PolarHBondContact O-NH1 3.08Å; F51-R117 HydrophobicContact CB-CG 3.5Å; F51-R117 HydrophobicContact CD1-CG 3.74Å; F51-R117 HydrophobicContact CD2-CG 4.13Å; F51-R117 HydrophobicContact CG-CG 3.5Å; F51-R117 VanDerWaalsContact CG-CG 3.5Å
52	W	98	Very high	96.4	Very high	115 Å²	115	53 Å²	53	44%	0.436	32%	0.319	S	S	.	.			trans	-66.4	148.2	157.7	-77	55.5	0	0	0	108.4	D69 I70 N71	W52-D69 HydrophobicContact CE3-CB 4.21Å; W52-D69 VanDerWaalsContact CZ3-OD1 3.3Å; W52-D69 WeakPolarHBondContact CZ3-OD1 3.36Å; W52-I70 VanDerWaalsContact CA-O 3.31Å; W52-I70 WeakPolarHBondContact CA-O 3.39Å; W52-N71 HydrophobicContact CD2-CB 3.86Å; W52-N71 HydrophobicContact CE3-CB 4.34Å; W52-N71 HydrophobicContact CG-CB 4.39Å; W52-N71 HydrophobicContact CH2-CB 4.02Å; W52-N71 HydrophobicContact CZ2-CB 3.48Å; W52-N71 VanDerWaalsContact CZ2-CB 3.48Å; W52-N71 HydrophobicContact CZ3-CB 4.41Å
53	M	98.3	Very high	96.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.2	178.3	-62.4	-59.2	-56.6	0	0	108.7	L23 F46 F48 F51 D69 I70 L98 M116 R117	L23-M53 HydrophobicContact CD2-CE 3.88Å; F46-M53 HydrophobicContact CE2-SD 4.32Å; F48-M53 HydrophobicContact CD2-SD 4.29Å; F48-M53 HydrophobicContact CE2-CE 3.9Å; F48-M53 HydrophobicContact CE2-CG 3.89Å; F48-M53 HydrophobicContact CE2-SD 3.98Å; F48-M53 HydrophobicContact CZ-CG 3.89Å; F51-M53 HydrophobicContact CB-SD 4.38Å; M53-D69 CarbonylContact O-C 3.52Å; M53-D69 VanDerWaalsContact O-CA 3.22Å; M53-D69 WeakPolarHBondContact O-CA 3.32Å; M53-D69 WeakPolarHBondContact O-CB 3.27Å; M53-I70 HydrophobicContact CB-CG2 4.18Å; M53-I70 PolarHBondContact N-O 3.19Å; M53-I70 PolarHBondContact O-N 2.8Å; M53-L98 HydrophobicContact CB-CD1 3.94Å; M53-L98 HydrophobicContact CB-CD2 3.9Å; M53-L98 HydrophobicContact CB-CG 4.39Å; M53-M116 CarbonylContact C-O 3.58Å; M53-M116 WeakPolarHBondContact CA-O 3.24Å; M53-M116 WeakPolarHBondContact CE-O 3.45Å; M53-R117 HydrophobicContact CE-CB 4.05Å; M53-R117 HydrophobicContact SD-CB 3.87Å; M53-R117 HydrophobicContact SD-CG 3.95Å
54	S	98.4	Very high	96.1	Very high	23 Å²	23	57.9 Å²	57.9	16%	0.161	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	151.5	-177.4	-56.7	0	0	0	0	111.1	G68 D69 C115 M116	S54-G68 CarbonylContact C-O 3.57Å; S54-G68 VanDerWaalsContact CA-O 3.31Å; S54-G68 WeakPolarHBondContact CA-O 3.4Å; S54-D69 WeakPolarHBondContact OG-CB 3.36Å; S54-C115 CarbonylContact O-C 3.52Å; S54-C115 VanDerWaalsContact O-CA 3.24Å; S54-C115 WeakPolarHBondContact O-CA 3.29Å; S54-M116 PolarHBondContact N-O 2.93Å; S54-M116 PolarHBondContact O-N 3.42Å
55	W	98.5	Very high	96.2	Very high	1 Å²	1	59.3 Å²	59.3	0%	0.004	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.4	160.6	-76.8	101	0	0	0	109.6	E25 L39 C41 I67 G68 L98 Y99 L100 C115	E25-W55 HydrophobicContact CG-CH2 4.38Å; E25-W55 HydrophobicContact CG-CZ3 4.15Å; L39-W55 HydrophobicContact CB-CH2 3.9Å; L39-W55 HydrophobicContact CB-CZ2 4.31Å; L39-W55 HydrophobicContact CB-CZ3 4.48Å; L39-W55 HydrophobicContact CD1-CZ3 4.34Å; C41-W55 HydrophobicContact CB-CH2 3.79Å; C41-W55 HydrophobicContact CB-CZ2 3.97Å; W55-I67 HydrophobicContact CB-CD1 3.81Å; W55-I67 HydrophobicContact CB-CG1 3.59Å; W55-I67 VanDerWaalsContact O-CG1 3.28Å; W55-I67 WeakPolarHBondContact O-CG1 3.3Å; W55-I67 PolarHBondContact O-N 2.84Å; W55-G68 PolarHBondContact N-O 2.72Å; W55-L98 HydrophobicContact CD2-CD2 4.22Å; W55-L98 HydrophobicContact CG-CD2 4.16Å; W55-L98 HydrophobicContact CZ2-CD2 4.23Å; W55-L98 HydrophobicContact CZ2-CG 4.33Å; W55-L98 VanDerWaalsContact NE1-CG 3.35Å; W55-Y99 PolarHBondContact NE1-O 2.99Å; W55-L100 HydrophobicContact CD2-CB 4.09Å; W55-L100 HydrophobicContact CD2-CD2 4.32Å; W55-L100 HydrophobicContact CG-CB 4.36Å; W55-L100 HydrophobicContact CG-CD1 4.49Å; W55-L100 HydrophobicContact CG-CD2 4.4Å; W55-L100 HydrophobicContact CZ2-CB 3.97Å; W55-C115 HydrophobicContact CE3-CB 4.31Å; W55-C115 HydrophobicContact CH2-CB 4.41Å; W55-C115 HydrophobicContact CZ3-CB 4.25Å
56	V	97.9	Very high	96.4	Very high	9 Å²	9	62.2 Å²	62.2	6%	0.055	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	155.7	167.4	-54.8	0	0	0	0	109.5	L64 E65 W66 Y113 F114 M116	V56-L64 HydrophobicContact CG2-CD2 4.14Å; V56-E65 CarbonylContact C-O 3.52Å; V56-E65 VanDerWaalsContact CA-O 3.26Å; V56-E65 WeakPolarHBondContact CA-O 2.96Å; V56-E65 WeakPolarHBondContact CB-O 3.35Å; V56-W66 HydrophobicContact CG1-CB 4.49Å; V56-Y113 WeakPolarHBondContact O-CA 3.28Å; V56-F114 HydrophobicContact CG2-CB 3.74Å; V56-F114 HydrophobicContact CG2-CD2 4.25Å; V56-F114 HydrophobicContact CG2-CG 4.48Å; V56-F114 PolarHBondContact N-O 3.1Å; V56-F114 PolarHBondContact O-N 2.87Å; V56-F114 VanDerWaalsContact O-O 3.14Å; V56-M116 HydrophobicContact CB-CE 4.42Å; V56-M116 HydrophobicContact CB-SD 4.37Å; V56-M116 HydrophobicContact CG1-CE 4.14Å; V56-M116 HydrophobicContact CG1-CG 4.4Å; V56-M116 HydrophobicContact CG1-SD 3.52Å; V56-M116 VanDerWaalsContact CG1-SD 3.52Å; V56-M116 HydrophobicContact CG2-CE 3.47Å; V56-M116 VanDerWaalsContact CG2-CE 3.47Å; V56-M116 HydrophobicContact CG2-CG 4.31Å; V56-M116 HydrophobicContact CG2-SD 3.87Å
57	R	97.2	Very high	96.5	Very high	17 Å²	17	60.6 Å²	60.6	6%	0.064	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151.7	173.9	73.9	179.6	179	-178.6	-0.4	111.7	L64 E65 I67 D109 A111 T112 Y113	R57-L64 WeakPolarHBondContact O-CA 3.29Å; R57-E65 HydrophobicContact CG-CB 4.21Å; R57-E65 IonicContact CZ-OE2 2.83Å; R57-E65 VanDerWaalsContact CZ-OE2 3.26Å; R57-E65 PolarHBondContact N-O 3.5Å; R57-E65 IonicContact NE-OE2 3.71Å; R57-E65 PolarHBondContact NE-OE2 2.88Å; R57-E65 IonicContact NH2-OE1 3.69Å; R57-E65 PolarHBondContact NH2-OE1 2.97Å; R57-E65 IonicContact NH2-OE2 2.92Å; R57-E65 PolarHBondContact NH2-OE2 3.22Å; R57-E65 PolarHBondContact O-N 2.78Å; R57-I67 HydrophobicContact CB-CG2 4.42Å; R57-I67 HydrophobicContact CG-CG2 3.73Å; R57-D109 IonicContact NH1-OD1 2.82Å; R57-D109 PolarHBondContact NH1-OD1 3.11Å; R57-A111 HydrophobicContact CB-CB 3.88Å; R57-A111 HydrophobicContact CG-CB 4.26Å; R57-T112 CarbonylContact C-O 3.47Å; R57-T112 VanDerWaalsContact CA-O 3.26Å; R57-T112 WeakPolarHBondContact CA-O 3.3Å; R57-Y113 HydrophobicContact CB-CD1 3.9Å; R57-Y113 HydrophobicContact CB-CE1 3.86Å; R57-Y113 HydrophobicContact CB-CG 4.31Å
58	Q	97.2	Very high	96.7	Very high	79 Å²	79	56 Å²	56	37%	0.369	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	105.1	172.7	-167	177.4	29.4	0	0	109.6	L64 A111 T112 F114	Q58-L64 HydrophobicContact CB-CD2 3.81Å; Q58-L64 HydrophobicContact CG-CD2 4.34Å; Q58-A111 CarbonylContact O-C 3.47Å; Q58-A111 VanDerWaalsContact O-CA 3.28Å; Q58-A111 WeakPolarHBondContact O-CA 3.37Å; Q58-A111 VanDerWaalsContact O-CB 3.3Å; Q58-A111 WeakPolarHBondContact O-CB 3.29Å; Q58-T112 PolarHBondContact N-O 2.8Å; Q58-T112 PolarHBondContact O-N 3.02Å; Q58-F114 HydrophobicContact CB-CE2 4.11Å
59	T	95.5	Very high	96.8	Very high	28 Å²	28	57 Å²	57	17%	0.172	32%	0.323	C	S	.	.			trans	-72	140.7	169.2	-53.6	0	0	0	0	109.4	G61 K62	T59-G61 PolarHBondContact O-N 2.83Å; T59-K62 HydrophobicContact CG2-CD 4.23Å; T59-K62 PolarHBondContact O-N 2.92Å
60	P	95.1	Very high	96.9	Very high	102 Å²	102	54.4 Å²	54.4	66%	0.662	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	125.7	176.3	-29.2	35.8	0	0	0	112.5	K62	P60-K62 VanDerWaalsContact C-N 3.32Å; P60-K62 PolarHBondContact O-N 2.82Å
61	G	95.2	Very high	96.9	Very high	94 Å²	94	53.1 Å²	53.1	97%	0.969	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	7.1	-179.2	0	0	0	0	0	115.8	T59	T59-G61 PolarHBondContact O-N 2.83Å
62	K	93.8	Very high	97	Very high	143 Å²	143	51.3 Å²	51.3	62%	0.622	28%	0.283	S	S	*	.	S	Bend	trans	-117.6	167.9	176.7	-62.9	-168.8	178.7	179.2	0	112.3	T59 P60	T59-K62 HydrophobicContact CG2-CD 4.23Å; T59-K62 PolarHBondContact O-N 2.92Å; P60-K62 VanDerWaalsContact C-N 3.32Å; P60-K62 PolarHBondContact O-N 2.82Å
63	T	93.8	Very high	96.9	Very high	120 Å²	120	51.2 Å²	51.2	74%	0.736	29%	0.291	S	S	*	.			trans	-70.9	167.8	170.1	57.7	0	0	0	0	111.1
64	L	95.8	Very high	96.8	Very high	92 Å²	92	52.4 Å²	52.4	48%	0.482	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	139	169.6	-71.1	164.7	0	0	0	110.5	V56 R57 Q58 F114	V56-L64 HydrophobicContact CG2-CD2 4.14Å; R57-L64 WeakPolarHBondContact O-CA 3.29Å; Q58-L64 HydrophobicContact CB-CD2 3.81Å; Q58-L64 HydrophobicContact CG-CD2 4.34Å; L64-F114 HydrophobicContact CD2-CD2 4.07Å; L64-F114 HydrophobicContact CD2-CE2 4.18Å
65	E	96.8	Very high	96.7	Very high	68 Å²	68	55.7 Å²	55.7	32%	0.318	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.5	175.8	-178	-171	177.7	0	0	108.4	V56 R57 I67 S82	V56-E65 CarbonylContact C-O 3.52Å; V56-E65 VanDerWaalsContact CA-O 3.26Å; V56-E65 WeakPolarHBondContact CA-O 2.96Å; V56-E65 WeakPolarHBondContact CB-O 3.35Å; R57-E65 HydrophobicContact CG-CB 4.21Å; R57-E65 IonicContact CZ-OE2 2.83Å; R57-E65 VanDerWaalsContact CZ-OE2 3.26Å; R57-E65 PolarHBondContact N-O 3.5Å; R57-E65 IonicContact NE-OE2 3.71Å; R57-E65 PolarHBondContact NE-OE2 2.88Å; R57-E65 IonicContact NH2-OE1 3.69Å; R57-E65 PolarHBondContact NH2-OE1 2.97Å; R57-E65 IonicContact NH2-OE2 2.92Å; R57-E65 PolarHBondContact NH2-OE2 3.22Å; R57-E65 PolarHBondContact O-N 2.78Å; E65-I67 HydrophobicContact CG-CG2 4.43Å; E65-S82 PolarHBondContact OE1-OG 2.93Å
66	W	97.4	Very high	96.7	Very high	101 Å²	101	57.4 Å²	57.4	38%	0.383	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	132.5	167.6	172.3	92.7	0	0	0	109.7	V56 G68 D69 N78 A80	V56-W66 HydrophobicContact CG1-CB 4.49Å; W66-G68 PolarHBondContact NE1-O 2.81Å; W66-D69 HydrophobicContact CZ2-CB 4.26Å; W66-D69 WeakPolarHBondContact CZ2-OD2 3.47Å; W66-N78 HydrophobicContact CH2-CB 3.86Å; W66-N78 HydrophobicContact CZ2-CB 3.98Å; W66-A80 HydrophobicContact CE3-CB 4.03Å; W66-A80 HydrophobicContact CZ3-CB 3.9Å
67	I	97.4	Very high	96.7	Very high	0 Å²	0	60 Å²	60	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-22.3	-179.2	64.1	170.5	0	0	0	113.5	W55 R57 E65 A80 I83 L100 Y113	W55-I67 HydrophobicContact CB-CD1 3.81Å; W55-I67 HydrophobicContact CB-CG1 3.59Å; W55-I67 VanDerWaalsContact O-CG1 3.28Å; W55-I67 WeakPolarHBondContact O-CG1 3.3Å; W55-I67 PolarHBondContact O-N 2.84Å; R57-I67 HydrophobicContact CB-CG2 4.42Å; R57-I67 HydrophobicContact CG-CG2 3.73Å; E65-I67 HydrophobicContact CG-CG2 4.43Å; I67-A80 WeakPolarHBondContact O-CB 3.26Å; I67-A80 PolarHBondContact O-N 3.47Å; I67-I83 HydrophobicContact CB-CD1 3.87Å; I67-I83 HydrophobicContact CB-CG1 4.31Å; I67-I83 HydrophobicContact CB-CG2 4.44Å; I67-I83 HydrophobicContact CD1-CD1 4.29Å; I67-I83 HydrophobicContact CG1-CD1 4.22Å; I67-I83 WeakPolarHBondContact O-CD1 3.28Å; I67-I83 WeakPolarHBondContact O-CG1 3.18Å; I67-L100 HydrophobicContact CD1-CD2 3.89Å; I67-Y113 HydrophobicContact CD1-CD1 3.9Å; I67-Y113 HydrophobicContact CD1-CE1 3.72Å
68	G	98.1	Very high	96.8	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.5	165.2	176	0	0	0	0	0	112.7	S54 W55 W66 N78	S54-G68 CarbonylContact C-O 3.57Å; S54-G68 VanDerWaalsContact CA-O 3.31Å; S54-G68 WeakPolarHBondContact CA-O 3.4Å; W55-G68 PolarHBondContact N-O 2.72Å; W66-G68 PolarHBondContact NE1-O 2.81Å; G68-N78 CarbonylContact C-O 3.51Å; G68-N78 WeakPolarHBondContact CA-O 3.41Å
69	D	98.3	Very high	96.8	Very high	26 Å²	26	61.8 Å²	61.8	14%	0.139	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	159.8	176.5	60.1	35.5	0	0	0	112	W52 M53 S54 W66 I77 N78	W52-D69 HydrophobicContact CE3-CB 4.21Å; W52-D69 VanDerWaalsContact CZ3-OD1 3.3Å; W52-D69 WeakPolarHBondContact CZ3-OD1 3.36Å; M53-D69 CarbonylContact O-C 3.52Å; M53-D69 VanDerWaalsContact O-CA 3.22Å; M53-D69 WeakPolarHBondContact O-CA 3.32Å; M53-D69 WeakPolarHBondContact O-CB 3.27Å; S54-D69 WeakPolarHBondContact OG-CB 3.36Å; W66-D69 HydrophobicContact CZ2-CB 4.26Å; W66-D69 WeakPolarHBondContact CZ2-OD2 3.47Å; D69-I77 VanDerWaalsContact O-CA 3.31Å; D69-I77 WeakPolarHBondContact O-CA 3.39Å; D69-I77 VanDerWaalsContact O-CG2 3.27Å; D69-I77 WeakPolarHBondContact O-CG2 3.31Å; D69-N78 PolarHBondContact N-O 3.04Å; D69-N78 PolarHBondContact O-N 3.11Å; D69-N78 VanDerWaalsContact OD1-CB 3.28Å; D69-N78 WeakPolarHBondContact OD1-CB 3.45Å; D69-N78 PolarHBondContact OD1-ND2 2.97Å
70	I	98.6	Very high	96.9	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	136.1	178.8	-173.8	162.3	0	0	0	109.7	W52 M53 A76 I77 I89 R91 L98	W52-I70 VanDerWaalsContact CA-O 3.31Å; W52-I70 WeakPolarHBondContact CA-O 3.39Å; M53-I70 HydrophobicContact CB-CG2 4.18Å; M53-I70 PolarHBondContact N-O 3.19Å; M53-I70 PolarHBondContact O-N 2.8Å; I70-A76 WeakPolarHBondContact CA-O 3.46Å; I70-I77 HydrophobicContact CB-CG1 4.47Å; I70-I77 HydrophobicContact CD1-CD1 4.13Å; I70-I77 HydrophobicContact CD1-CG1 3.94Å; I70-I77 HydrophobicContact CG1-CG1 3.97Å; I70-I89 HydrophobicContact CB-CG2 4.03Å; I70-I89 HydrophobicContact CG2-CG2 3.89Å; I70-R91 HydrophobicContact CD1-CB 4.43Å; I70-R91 HydrophobicContact CD1-CG 3.94Å; I70-R91 HydrophobicContact CG1-CG 4.47Å; I70-L98 HydrophobicContact CG2-CD1 3.41Å; I70-L98 VanDerWaalsContact CG2-CD1 3.41Å
71	N	97.9	Very high	96.9	Very high	20 Å²	20	61.8 Å²	61.8	11%	0.107	37%	0.365	C	S	.	.			trans	-73	172.7	178.4	75.5	-27	0	0	0	112.6	W52 D73 G74 S75 A76 R91	W52-N71 HydrophobicContact CD2-CB 3.86Å; W52-N71 HydrophobicContact CE3-CB 4.34Å; W52-N71 HydrophobicContact CG-CB 4.39Å; W52-N71 HydrophobicContact CH2-CB 4.02Å; W52-N71 HydrophobicContact CZ2-CB 3.48Å; W52-N71 VanDerWaalsContact CZ2-CB 3.48Å; W52-N71 HydrophobicContact CZ3-CB 4.41Å; N71-D73 PolarHBondContact ND2-OD1 2.85Å; N71-D73 PolarHBondContact O-N 2.82Å; N71-D73 PolarHBondContact OD1-OD1 3.05Å; N71-D73 VanDerWaalsContact OD1-OD1 3.11Å; N71-G74 PolarHBondContact O-N 3.2Å; N71-G74 VanDerWaalsContact O-N 3.15Å; N71-G74 VanDerWaalsContact OD1-C 3.27Å; N71-G74 VanDerWaalsContact OD1-CA 3.32Å; N71-G74 WeakPolarHBondContact OD1-CA 3.45Å; N71-G74 PolarHBondContact OD1-N 2.87Å; N71-G74 VanDerWaalsContact OD1-N 3.08Å; N71-S75 PolarHBondContact ND2-OG 3.46Å; N71-S75 PolarHBondContact OD1-N 2.87Å; N71-A76 HydrophobicContact CB-CB 4.21Å; N71-A76 PolarHBondContact N-O 3.14Å; N71-A76 PolarHBondContact OD1-N 3.06Å; N71-A76 PolarHBondContact OD1-O 3.35Å; N71-R91 VanDerWaalsContact O-CD 3.29Å; N71-R91 WeakPolarHBondContact O-CD 3.37Å; N71-R91 PolarHBondContact O-NH1 2.82Å
72	S	97.8	Very high	96.8	Very high	38 Å²	38	59.6 Å²	59.6	27%	0.266	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-43.5	-175.5	-72	0	0	0	0	115.9	S49 R91 N93	S49-S72 WeakPolarHBondContact O-CB 3.4Å; S49-S72 PolarHBondContact O-OG 2.81Å; S49-S72 VanDerWaalsContact O-OG 3.1Å; S72-R91 VanDerWaalsContact CA-NH1 3.29Å; S72-R91 PolarHBondContact O-NE 3.32Å; S72-R91 PolarHBondContact O-NH1 2.84Å; S72-N93 PolarHBondContact O-ND2 2Å
73	D	95.5	Very high	96.9	Very high	112 Å²	112	52.8 Å²	52.8	60%	0.599	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-4.5	-178	67.4	-2.8	0	0	0	113.6	N71 S75	N71-D73 PolarHBondContact ND2-OD1 2.85Å; N71-D73 PolarHBondContact O-N 2.82Å; N71-D73 PolarHBondContact OD1-OD1 3.05Å; N71-D73 VanDerWaalsContact OD1-OD1 3.11Å; D73-S75 VanDerWaalsContact C-N 3.34Å; D73-S75 VanDerWaalsContact CG-OG 3.32Å; D73-S75 VanDerWaalsContact OD1-CB 3.29Å; D73-S75 WeakPolarHBondContact OD1-CB 3.13Å; D73-S75 PolarHBondContact OD1-N 2.76Å; D73-S75 PolarHBondContact OD1-OG 2.95Å; D73-S75 PolarHBondContact OD2-OG 3.21Å
74	G	97.1	Very high	96.8	Very high	25 Å²	25	53.5 Å²	53.5	26%	0.258	30%	0.298	S	S	.	.	S	Bend	trans	80.2	5.4	-178.3	0	0	0	0	0	115.8	N71	N71-G74 PolarHBondContact O-N 3.2Å; N71-G74 VanDerWaalsContact O-N 3.15Å; N71-G74 VanDerWaalsContact OD1-C 3.27Å; N71-G74 VanDerWaalsContact OD1-CA 3.32Å; N71-G74 WeakPolarHBondContact OD1-CA 3.45Å; N71-G74 PolarHBondContact OD1-N 2.87Å; N71-G74 VanDerWaalsContact OD1-N 3.08Å
75	S	96.7	Very high	96.8	Very high	92 Å²	92	56.3 Å²	56.3	64%	0.643	31%	0.313	S	S	*	.	S	Bend	trans	-75.6	-23.7	-179	63.6	0	0	0	0	114.6	N71 D73	N71-S75 PolarHBondContact ND2-OG 3.46Å; N71-S75 PolarHBondContact OD1-N 2.87Å; D73-S75 VanDerWaalsContact C-N 3.34Å; D73-S75 VanDerWaalsContact CG-OG 3.32Å; D73-S75 VanDerWaalsContact OD1-CB 3.29Å; D73-S75 WeakPolarHBondContact OD1-CB 3.13Å; D73-S75 PolarHBondContact OD1-N 2.76Å; D73-S75 PolarHBondContact OD1-OG 2.95Å; D73-S75 PolarHBondContact OD2-OG 3.21Å
76	A	98	Very high	96.8	Very high	37 Å²	37	54 Å²	54	31%	0.306	30%	0.301	S	S	.	.			trans	-124.2	129.9	-178.7	0	0	0	0	0	110.2	I70 N71	I70-A76 WeakPolarHBondContact CA-O 3.46Å; N71-A76 HydrophobicContact CB-CB 4.21Å; N71-A76 PolarHBondContact N-O 3.14Å; N71-A76 PolarHBondContact OD1-N 3.06Å; N71-A76 PolarHBondContact OD1-O 3.35Å
77	I	98.2	Very high	96.8	Very high	63 Å²	63	49.3 Å²	49.3	32%	0.323	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	128.5	-177.9	-47.5	171.2	0	0	0	108.5	D69 I70 Y79 I89	D69-I77 VanDerWaalsContact O-CA 3.31Å; D69-I77 WeakPolarHBondContact O-CA 3.39Å; D69-I77 VanDerWaalsContact O-CG2 3.27Å; D69-I77 WeakPolarHBondContact O-CG2 3.31Å; I70-I77 HydrophobicContact CB-CG1 4.47Å; I70-I77 HydrophobicContact CD1-CD1 4.13Å; I70-I77 HydrophobicContact CD1-CG1 3.94Å; I70-I77 HydrophobicContact CG1-CG1 3.97Å; I77-Y79 HydrophobicContact CB-CE2 3.94Å; I77-Y79 HydrophobicContact CG2-CD2 3.99Å; I77-Y79 HydrophobicContact CG2-CE1 4.23Å; I77-Y79 HydrophobicContact CG2-CE2 3.32Å; I77-Y79 VanDerWaalsContact CG2-CZ 3.47Å; I77-I89 HydrophobicContact CG2-CB 4.24Å
78	N	97.9	Very high	96.8	Very high	79 Å²	79	52.8 Å²	52.8	42%	0.422	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	144	169.3	-54.2	-66.5	0	0	0	110.2	W66 G68 D69	W66-N78 HydrophobicContact CH2-CB 3.86Å; W66-N78 HydrophobicContact CZ2-CB 3.98Å; G68-N78 CarbonylContact C-O 3.51Å; G68-N78 WeakPolarHBondContact CA-O 3.41Å; D69-N78 PolarHBondContact N-O 3.04Å; D69-N78 PolarHBondContact O-N 3.11Å; D69-N78 VanDerWaalsContact OD1-CB 3.28Å; D69-N78 WeakPolarHBondContact OD1-CB 3.45Å; D69-N78 PolarHBondContact OD1-ND2 2.97Å
79	Y	98.1	Very high	96.9	Very high	55 Å²	55	52.9 Å²	52.9	22%	0.216	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.1	178.9	-67.9	-86.5	0	0	0	110	I77 I83 K84 F87 I89	I77-Y79 HydrophobicContact CB-CE2 3.94Å; I77-Y79 HydrophobicContact CG2-CD2 3.99Å; I77-Y79 HydrophobicContact CG2-CE1 4.23Å; I77-Y79 HydrophobicContact CG2-CE2 3.32Å; I77-Y79 VanDerWaalsContact CG2-CZ 3.47Å; Y79-I83 HydrophobicContact CD1-CD1 3.83Å; Y79-I83 HydrophobicContact CD1-CG1 4.24Å; Y79-K84 HydrophobicContact CG-CG 4.5Å; Y79-F87 WeakPolarHBondContact CE1-O 3.37Å; Y79-I89 HydrophobicContact CD1-CD1 4.4Å; Y79-I89 HydrophobicContact CE1-CB 4.32Å; Y79-I89 HydrophobicContact CE1-CD1 4.14Å; Y79-I89 HydrophobicContact CE1-CG1 3.98Å; Y79-I89 PolarHBondContact OH-N 3.13Å
80	A	97.4	Very high	96.8	Very high	6 Å²	6	55.9 Å²	55.9	5%	0.05	32%	0.318	C	S	.	.			trans	-63.7	142.6	162.9	0	0	0	0	0	109.6	W66 I67 S82 I83 K84	W66-A80 HydrophobicContact CE3-CB 4.03Å; W66-A80 HydrophobicContact CZ3-CB 3.9Å; I67-A80 WeakPolarHBondContact O-CB 3.26Å; I67-A80 PolarHBondContact O-N 3.47Å; A80-S82 PolarHBondContact O-N 3.06Å; A80-I83 HydrophobicContact CB-CG1 4.48Å; A80-I83 PolarHBondContact O-N 3.37Å; A80-I83 VanDerWaalsContact O-N 3.09Å; A80-K84 PolarHBondContact O-N 2.85Å
81	P	96.1	Very high	96.8	Very high	125 Å²	125	57.2 Å²	57.2	81%	0.812	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-27.8	179.2	-27.7	35.2	0	0	0	114.2	I83	P81-I83 VanDerWaalsContact C-N 3.26Å; P81-I83 PolarHBondContact O-N 3.09Å
82	S	93	Very high	96.8	Very high	47 Å²	47	58.1 Å²	58.1	33%	0.329	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-21.1	-179.2	53.4	0	0	0	0	114.3	E65 A80 R86	E65-S82 PolarHBondContact OE1-OG 2.93Å; A80-S82 PolarHBondContact O-N 3.06Å; S82-R86 PolarHBondContact O-NH2 3.43Å
83	I	94.7	Very high	96.8	Very high	1 Å²	1	59 Å²	59	1%	0.005	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-13.2	-173.6	69	149	0	0	0	115	I67 Y79 A80 P81 D85 R86 F87	I67-I83 HydrophobicContact CB-CD1 3.87Å; I67-I83 HydrophobicContact CB-CG1 4.31Å; I67-I83 HydrophobicContact CB-CG2 4.44Å; I67-I83 HydrophobicContact CD1-CD1 4.29Å; I67-I83 HydrophobicContact CG1-CD1 4.22Å; I67-I83 WeakPolarHBondContact O-CD1 3.28Å; I67-I83 WeakPolarHBondContact O-CG1 3.18Å; Y79-I83 HydrophobicContact CD1-CD1 3.83Å; Y79-I83 HydrophobicContact CD1-CG1 4.24Å; A80-I83 HydrophobicContact CB-CG1 4.48Å; A80-I83 PolarHBondContact O-N 3.37Å; A80-I83 VanDerWaalsContact O-N 3.09Å; P81-I83 VanDerWaalsContact C-N 3.26Å; P81-I83 PolarHBondContact O-N 3.09Å; I83-D85 PolarHBondContact O-N 2.79Å; I83-R86 PolarHBondContact O-N 3.2Å; I83-F87 HydrophobicContact CB-CB 4.06Å; I83-F87 HydrophobicContact CB-CD2 3.65Å; I83-F87 HydrophobicContact CB-CE2 4.27Å; I83-F87 HydrophobicContact CB-CG 3.92Å; I83-F87 HydrophobicContact CD1-CB 3.87Å; I83-F87 HydrophobicContact CD1-CD2 3.9Å; I83-F87 HydrophobicContact CD1-CG 4.32Å; I83-F87 HydrophobicContact CG1-CB 4.49Å; I83-F87 HydrophobicContact CG1-CD2 4.43Å; I83-F87 HydrophobicContact CG2-CD2 3.57Å; I83-F87 HydrophobicContact CG2-CE2 3.71Å; I83-F87 HydrophobicContact CG2-CG 4.29Å; I83-F87 PolarHBondContact O-N 3.09Å
84	K	93.2	Very high	96.9	Very high	135 Å²	135	61.4 Å²	61.4	59%	0.587	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-34.6	-165.9	-174.8	174.4	178.7	179.6	0	115.6	Y79 A80	Y79-K84 HydrophobicContact CG-CG 4.5Å; A80-K84 PolarHBondContact O-N 2.85Å
85	D	95.4	Very high	96.9	Very high	151 Å²	151	66 Å²	66	81%	0.807	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-1.7	-175.2	-56.1	-38.6	0	0	0	113.9	I83	I83-D85 PolarHBondContact O-N 2.79Å
86	R	96.9	Very high	96.9	Very high	18 Å²	18	63.3 Å²	63.3	7%	0.068	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-33.6	-170.7	-64.8	-172.3	-56.8	109.6	0.3	112.6	S82 I83 S103 N104 D109	S82-R86 PolarHBondContact O-NH2 3.43Å; I83-R86 PolarHBondContact O-N 3.2Å; R86-S103 WeakPolarHBondContact CB-O 3.5Å; R86-S103 WeakPolarHBondContact O-CB 3.31Å; R86-S103 PolarHBondContact O-N 2.98Å; R86-S103 PolarHBondContact O-OG 3.24Å; R86-N104 PolarHBondContact NH1-O 3.32Å; R86-N104 VanDerWaalsContact NH1-O 3.16Å; R86-D109 IonicContact CZ-OD1 3.9Å; R86-D109 IonicContact CZ-OD2 2.8Å; R86-D109 IonicContact NH1-OD1 3.82Å; R86-D109 IonicContact NH1-OD2 3.26Å; R86-D109 PolarHBondContact NH1-OD2 2.72Å; R86-D109 IonicContact NH2-OD1 2.72Å; R86-D109 PolarHBondContact NH2-OD1 3.27Å; R86-D109 IonicContact NH2-OD2 3.19Å; R86-D109 PolarHBondContact NH2-OD2 2.9Å
87	F	97.3	Very high	97	Very high	3 Å²	3	61.9 Å²	61.9	1%	0.013	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.6	-174.9	-63.6	2.4	0	0	0	109.9	Y79 I83 L100 Q101 M102 D109 Y113	Y79-F87 WeakPolarHBondContact CE1-O 3.37Å; I83-F87 HydrophobicContact CB-CB 4.06Å; I83-F87 HydrophobicContact CB-CD2 3.65Å; I83-F87 HydrophobicContact CB-CE2 4.27Å; I83-F87 HydrophobicContact CB-CG 3.92Å; I83-F87 HydrophobicContact CD1-CB 3.87Å; I83-F87 HydrophobicContact CD1-CD2 3.9Å; I83-F87 HydrophobicContact CD1-CG 4.32Å; I83-F87 HydrophobicContact CG1-CB 4.49Å; I83-F87 HydrophobicContact CG1-CD2 4.43Å; I83-F87 HydrophobicContact CG2-CD2 3.57Å; I83-F87 HydrophobicContact CG2-CE2 3.71Å; I83-F87 HydrophobicContact CG2-CG 4.29Å; I83-F87 PolarHBondContact O-N 3.09Å; F87-L100 HydrophobicContact CB-CD1 4.1Å; F87-L100 HydrophobicContact CD2-CD1 4.28Å; F87-L100 HydrophobicContact CD2-CD2 4.4Å; F87-Q101 CarbonylContact C-O 3.55Å; F87-Q101 VanDerWaalsContact CA-O 3.24Å; F87-Q101 WeakPolarHBondContact CA-O 3.46Å; F87-M102 HydrophobicContact CD1-CB 3.63Å; F87-M102 HydrophobicContact CD1-CG 3.7Å; F87-M102 HydrophobicContact CD2-CG 3.82Å; F87-M102 HydrophobicContact CD2-SD 4.36Å; F87-M102 HydrophobicContact CE1-CB 3.53Å; F87-M102 HydrophobicContact CE1-CG 3.68Å; F87-M102 HydrophobicContact CE1-SD 4.28Å; F87-M102 HydrophobicContact CE2-CG 3.78Å; F87-M102 HydrophobicContact CE2-SD 3.8Å; F87-M102 HydrophobicContact CG-CB 4.23Å; F87-M102 HydrophobicContact CG-CG 3.8Å; F87-M102 HydrophobicContact CZ-CB 4.02Å; F87-M102 HydrophobicContact CZ-CG 3.72Å; F87-M102 HydrophobicContact CZ-SD 3.76Å; F87-D109 HydrophobicContact CZ-CB 4.08Å; F87-Y113 HydrophobicContact CE2-CE1 4.4Å
88	T	97.8	Very high	97	Very high	74 Å²	74	58.9 Å²	58.9	45%	0.454	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.6	178.5	-54.1	0	0	0	0	108.9	F90 Q101	T88-F90 HydrophobicContact CG2-CD1 4.47Å; T88-Q101 PolarHBondContact N-O 3.04Å; T88-Q101 PolarHBondContact O-N 3.31Å
89	I	98.3	Very high	97	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.7	174	-61.2	170.9	0	0	0	107.7	I70 I77 Y79 L98 Y99 L100	I70-I89 HydrophobicContact CB-CG2 4.03Å; I70-I89 HydrophobicContact CG2-CG2 3.89Å; I77-I89 HydrophobicContact CG2-CB 4.24Å; Y79-I89 HydrophobicContact CD1-CD1 4.4Å; Y79-I89 HydrophobicContact CE1-CB 4.32Å; Y79-I89 HydrophobicContact CE1-CD1 4.14Å; Y79-I89 HydrophobicContact CE1-CG1 3.98Å; Y79-I89 PolarHBondContact OH-N 3.13Å; I89-L98 HydrophobicContact CG2-CD1 3.85Å; I89-Y99 WeakPolarHBondContact CA-O 3.31Å; I89-L100 HydrophobicContact CD1-CD1 4.41Å; I89-L100 HydrophobicContact CG1-CD1 3.62Å
90	F	97.7	Very high	97	Very high	89 Å²	89	55.1 Å²	55.1	39%	0.39	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	165.6	172.5	61.2	-82.9	0	0	0	109.8	T88 Y99 Q101	T88-F90 HydrophobicContact CG2-CD1 4.47Å; F90-Y99 AromaticContact CD2-CD2 3.62Å; F90-Y99 HydrophobicContact CD2-CD2 3.62Å; F90-Y99 HydrophobicContact CD2-CG 4.01Å; F90-Y99 HydrophobicContact CE1-CG 4.39Å; F90-Y99 VanDerWaalsContact CE2-CB 3.41Å; F90-Y99 HydrophobicContact CE2-CD1 4.29Å; F90-Y99 AromaticContact CE2-CD2 3.29Å; F90-Y99 HydrophobicContact CE2-CD2 3.29Å; F90-Y99 HydrophobicContact CE2-CE2 4.1Å; F90-Y99 AromaticContact CE2-CG 3.4Å; F90-Y99 HydrophobicContact CE2-CG 3.4Å; F90-Y99 VanDerWaalsContact CE2-CG 3.4Å; F90-Y99 HydrophobicContact CZ-CD1 4.3Å; F90-Y99 HydrophobicContact CZ-CD2 4.03Å; F90-Y99 AromaticContact CZ-CG 3.63Å; F90-Y99 HydrophobicContact CZ-CG 3.63Å; F90-Y99 PolarHBondContact N-O 2.8Å; F90-Y99 PolarHBondContact O-N 2.8Å; F90-Q101 HydrophobicContact CE1-CB 3.97Å
91	R	98.1	Very high	97.1	Very high	30 Å²	30	58.7 Å²	58.7	11%	0.113	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150.2	-175.9	65	-174.2	-65.9	158.4	3.7	111.4	F48 F51 I70 N71 S72 N93 T97 L98	F48-R91 HydrophobicContact CE1-CB 4.3Å; F48-R91 PolarHBondContact O-NH2 3.15Å; F51-R91 PolarHBondContact O-NH1 3.08Å; I70-R91 HydrophobicContact CD1-CB 4.43Å; I70-R91 HydrophobicContact CD1-CG 3.94Å; I70-R91 HydrophobicContact CG1-CG 4.47Å; N71-R91 VanDerWaalsContact O-CD 3.29Å; N71-R91 WeakPolarHBondContact O-CD 3.37Å; N71-R91 PolarHBondContact O-NH1 2.82Å; S72-R91 VanDerWaalsContact CA-NH1 3.29Å; S72-R91 PolarHBondContact O-NE 3.32Å; S72-R91 PolarHBondContact O-NH1 2.84Å; R91-N93 PolarHBondContact NE-OD1 2.84Å; R91-N93 PolarHBondContact NH2-OD1 2.85Å; R91-T97 WeakPolarHBondContact CA-O 3.31Å; R91-L98 HydrophobicContact CB-CD1 4.24Å
92	D	98	Very high	97.1	Very high	39 Å²	39	53.2 Å²	53.2	21%	0.209	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	106	170	-175.2	-27.1	0	0	0	107.6	D94 K95 S96 T97 Y99	D92-D94 VanDerWaalsContact C-N 3.33Å; D92-D94 PolarHBondContact OD1-N 2.84Å; D92-K95 HydrophobicContact CB-CB 4.27Å; D92-K95 PolarHBondContact O-N 2.85Å; D92-K95 PolarHBondContact OD1-N 3.23Å; D92-K95 VanDerWaalsContact OD1-N 3.13Å; D92-K95 VanDerWaalsContact OD2-CD 3.29Å; D92-K95 WeakPolarHBondContact OD2-CD 3.24Å; D92-K95 VanDerWaalsContact OD2-CE 3.29Å; D92-K95 WeakPolarHBondContact OD2-CE 3.49Å; D92-K95 WeakPolarHBondContact OD2-CG 3.41Å; D92-K95 IonicContact OD2-NZ 3.3Å; D92-K95 PolarHBondContact OD2-NZ 2.92Å; D92-S96 PolarHBondContact O-N 2.86Å; D92-S96 VanDerWaalsContact O-N 3.09Å; D92-T97 PolarHBondContact N-O 3.02Å; D92-T97 PolarHBondContact O-N 3.27Å; D92-Y99 HydrophobicContact CB-CE2 3.84Å
93	N	97.7	Very high	97.3	Very high	55 Å²	55	53.2 Å²	53.2	29%	0.294	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-26.1	-176.7	-79.7	-19.8	0	0	0	112.8	F48 S72 R91 K95 S96	F48-N93 WeakPolarHBondContact CD1-OD1 3Å; S72-N93 PolarHBondContact O-ND2 2Å; R91-N93 PolarHBondContact NE-OD1 2.84Å; R91-N93 PolarHBondContact NH2-OD1 2.85Å; N93-K95 VanDerWaalsContact C-N 3.29Å; N93-S96 PolarHBondContact O-N 2.96Å
94	D	97	Very high	97.4	Very high	163 Å²	163	57 Å²	57	87%	0.872	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-30	178.3	-65.1	-23.1	0	0	0	110.8	D92	D92-D94 VanDerWaalsContact C-N 3.33Å; D92-D94 PolarHBondContact OD1-N 2.84Å
95	K	97.5	Very high	97.6	Very high	122 Å²	122	51 Å²	51	53%	0.53	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	3	175.1	-59.6	-176	-167	123.7	0	113.9	D92 N93 T97	D92-K95 HydrophobicContact CB-CB 4.27Å; D92-K95 PolarHBondContact O-N 2.85Å; D92-K95 PolarHBondContact OD1-N 3.23Å; D92-K95 VanDerWaalsContact OD1-N 3.13Å; D92-K95 VanDerWaalsContact OD2-CD 3.29Å; D92-K95 WeakPolarHBondContact OD2-CD 3.24Å; D92-K95 VanDerWaalsContact OD2-CE 3.29Å; D92-K95 WeakPolarHBondContact OD2-CE 3.49Å; D92-K95 WeakPolarHBondContact OD2-CG 3.41Å; D92-K95 IonicContact OD2-NZ 3.3Å; D92-K95 PolarHBondContact OD2-NZ 2.92Å; N93-K95 VanDerWaalsContact C-N 3.29Å; K95-T97 PolarHBondContact O-N 3.05Å; K95-T97 VanDerWaalsContact O-N 3.08Å; K95-T97 PolarHBondContact O-OG1 3.08Å
96	S	97.6	Very high	97.6	Very high	36 Å²	36	49.2 Å²	49.2	25%	0.252	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	39.3	-171.7	-60.1	0	0	0	0	113.3	G43 F48 D92 N93	G43-S96 PolarHBondContact N-O 3.35Å; G43-S96 WeakPolarHBondContact O-CB 3.26Å; F48-S96 WeakPolarHBondContact CD2-O 3.5Å; F48-S96 WeakPolarHBondContact CE2-O 3.46Å; D92-S96 PolarHBondContact O-N 2.86Å; D92-S96 VanDerWaalsContact O-N 3.09Å; N93-S96 PolarHBondContact O-N 2.96Å
97	T	98.5	Very high	97.5	Very high	6 Å²	6	53.1 Å²	53.1	4%	0.037	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.3	-170.6	-58.5	0	0	0	0	111.7	C41 R91 D92 K95 Y99	C41-T97 CarbonylContact O-C 3.5Å; C41-T97 VanDerWaalsContact O-CA 3.31Å; C41-T97 WeakPolarHBondContact O-CA 3.32Å; R91-T97 WeakPolarHBondContact CA-O 3.31Å; D92-T97 PolarHBondContact N-O 3.02Å; D92-T97 PolarHBondContact O-N 3.27Å; K95-T97 PolarHBondContact O-N 3.05Å; K95-T97 VanDerWaalsContact O-N 3.08Å; K95-T97 PolarHBondContact O-OG1 3.08Å; T97-Y99 HydrophobicContact CG2-CD1 4.16Å; T97-Y99 HydrophobicContact CG2-CD2 4.16Å; T97-Y99 HydrophobicContact CG2-CE1 3.62Å; T97-Y99 HydrophobicContact CG2-CE2 3.63Å; T97-Y99 HydrophobicContact CG2-CG 4.41Å
98	L	98.7	Very high	97.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138	168.4	-175.9	71.1	0	0	0	109.6	S40 C41 F48 M53 W55 I70 I89 R91 C115	S40-L98 CarbonylContact C-O 3.57Å; S40-L98 WeakPolarHBondContact CA-O 3.37Å; C41-L98 HydrophobicContact CB-CB 4.27Å; C41-L98 PolarHBondContact N-O 2.83Å; C41-L98 PolarHBondContact O-N 3.15Å; F48-L98 HydrophobicContact CZ-CB 4.1Å; M53-L98 HydrophobicContact CB-CD1 3.94Å; M53-L98 HydrophobicContact CB-CD2 3.9Å; M53-L98 HydrophobicContact CB-CG 4.39Å; W55-L98 HydrophobicContact CD2-CD2 4.22Å; W55-L98 HydrophobicContact CG-CD2 4.16Å; W55-L98 HydrophobicContact CZ2-CD2 4.23Å; W55-L98 HydrophobicContact CZ2-CG 4.33Å; W55-L98 VanDerWaalsContact NE1-CG 3.35Å; I70-L98 HydrophobicContact CG2-CD1 3.41Å; I70-L98 VanDerWaalsContact CG2-CD1 3.41Å; I89-L98 HydrophobicContact CG2-CD1 3.85Å; R91-L98 HydrophobicContact CB-CD1 4.24Å; L98-C115 HydrophobicContact CD2-CB 4.08Å
99	Y	98.6	Very high	97.2	Very high	55 Å²	55	54.8 Å²	54.8	22%	0.216	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.4	178.6	-61.5	-83	0	0	0	111.5	L39 W55 I89 F90 D92 T97	L39-Y99 WeakPolarHBondContact O-CA 3.29Å; W55-Y99 PolarHBondContact NE1-O 2.99Å; I89-Y99 WeakPolarHBondContact CA-O 3.31Å; F90-Y99 AromaticContact CD2-CD2 3.62Å; F90-Y99 HydrophobicContact CD2-CD2 3.62Å; F90-Y99 HydrophobicContact CD2-CG 4.01Å; F90-Y99 HydrophobicContact CE1-CG 4.39Å; F90-Y99 VanDerWaalsContact CE2-CB 3.41Å; F90-Y99 HydrophobicContact CE2-CD1 4.29Å; F90-Y99 AromaticContact CE2-CD2 3.29Å; F90-Y99 HydrophobicContact CE2-CD2 3.29Å; F90-Y99 HydrophobicContact CE2-CE2 4.1Å; F90-Y99 AromaticContact CE2-CG 3.4Å; F90-Y99 HydrophobicContact CE2-CG 3.4Å; F90-Y99 VanDerWaalsContact CE2-CG 3.4Å; F90-Y99 HydrophobicContact CZ-CD1 4.3Å; F90-Y99 HydrophobicContact CZ-CD2 4.03Å; F90-Y99 AromaticContact CZ-CG 3.63Å; F90-Y99 HydrophobicContact CZ-CG 3.63Å; F90-Y99 PolarHBondContact N-O 2.8Å; F90-Y99 PolarHBondContact O-N 2.8Å; D92-Y99 HydrophobicContact CB-CE2 3.84Å; T97-Y99 HydrophobicContact CG2-CD1 4.16Å; T97-Y99 HydrophobicContact CG2-CD2 4.16Å; T97-Y99 HydrophobicContact CG2-CE1 3.62Å; T97-Y99 HydrophobicContact CG2-CE2 3.63Å; T97-Y99 HydrophobicContact CG2-CG 4.41Å
100	L	98.5	Very high	97.1	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	105.3	167.9	-177	69.5	0	0	0	108.5	G38 L39 W55 I67 F87 I89 M102 Y113	G38-L100 WeakPolarHBondContact CA-O 3.34Å; L39-L100 HydrophobicContact CB-CB 4.29Å; L39-L100 HydrophobicContact CD1-CD2 4.18Å; L39-L100 PolarHBondContact N-O 3.46Å; L39-L100 PolarHBondContact O-N 2.86Å; W55-L100 HydrophobicContact CD2-CB 4.09Å; W55-L100 HydrophobicContact CD2-CD2 4.32Å; W55-L100 HydrophobicContact CG-CB 4.36Å; W55-L100 HydrophobicContact CG-CD1 4.49Å; W55-L100 HydrophobicContact CG-CD2 4.4Å; W55-L100 HydrophobicContact CZ2-CB 3.97Å; I67-L100 HydrophobicContact CD1-CD2 3.89Å; F87-L100 HydrophobicContact CB-CD1 4.1Å; F87-L100 HydrophobicContact CD2-CD1 4.28Å; F87-L100 HydrophobicContact CD2-CD2 4.4Å; I89-L100 HydrophobicContact CD1-CD1 4.41Å; I89-L100 HydrophobicContact CG1-CD1 3.62Å; L100-M102 HydrophobicContact CD2-CG 4.05Å; L100-M102 HydrophobicContact CD2-SD 4.03Å; L100-M102 HydrophobicContact CG-CG 3.96Å; L100-Y113 HydrophobicContact CD2-CD1 3.76Å; L100-Y113 HydrophobicContact CD2-CE1 3.92Å
101	Q	98.1	Very high	97	Very high	80 Å²	80	56.1 Å²	56.1	37%	0.374	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	115	172.4	-177.9	61.2	54.1	0	0	109.6	R37 F87 T88 F90	R37-Q101 PolarHBondContact O-NE2 2.94Å; F87-Q101 CarbonylContact C-O 3.55Å; F87-Q101 VanDerWaalsContact CA-O 3.24Å; F87-Q101 WeakPolarHBondContact CA-O 3.46Å; T88-Q101 PolarHBondContact N-O 3.04Å; T88-Q101 PolarHBondContact O-N 3.31Å; F90-Q101 HydrophobicContact CE1-CB 3.97Å
102	M	97.5	Very high	97	Very high	10 Å²	10	58.4 Å²	58.4	5%	0.049	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.5	178.2	-58.1	177.9	-76.3	0	0	109.7	S36 R37 L39 F87 L100 V105 Y113	S36-M102 CarbonylContact C-O 3.58Å; S36-M102 WeakPolarHBondContact CA-O 3.44Å; S36-M102 VanDerWaalsContact CB-O 3.31Å; S36-M102 WeakPolarHBondContact CB-O 3.42Å; R37-M102 HydrophobicContact CB-CE 3.8Å; R37-M102 HydrophobicContact CG-CE 3.6Å; R37-M102 PolarHBondContact N-O 2.99Å; R37-M102 WeakPolarHBondContact O-CA 3.05Å; R37-M102 WeakPolarHBondContact O-CB 3.27Å; R37-M102 PolarHBondContact O-N 2.86Å; L39-M102 HydrophobicContact CD1-CE 3.88Å; L39-M102 HydrophobicContact CD2-CE 3.99Å; L39-M102 HydrophobicContact CG-CE 3.6Å; F87-M102 HydrophobicContact CD1-CB 3.63Å; F87-M102 HydrophobicContact CD1-CG 3.7Å; F87-M102 HydrophobicContact CD2-CG 3.82Å; F87-M102 HydrophobicContact CD2-SD 4.36Å; F87-M102 HydrophobicContact CE1-CB 3.53Å; F87-M102 HydrophobicContact CE1-CG 3.68Å; F87-M102 HydrophobicContact CE1-SD 4.28Å; F87-M102 HydrophobicContact CE2-CG 3.78Å; F87-M102 HydrophobicContact CE2-SD 3.8Å; F87-M102 HydrophobicContact CG-CB 4.23Å; F87-M102 HydrophobicContact CG-CG 3.8Å; F87-M102 HydrophobicContact CZ-CB 4.02Å; F87-M102 HydrophobicContact CZ-CG 3.72Å; F87-M102 HydrophobicContact CZ-SD 3.76Å; L100-M102 HydrophobicContact CD2-CG 4.05Å; L100-M102 HydrophobicContact CD2-SD 4.03Å; L100-M102 HydrophobicContact CG-CG 3.96Å; M102-V105 HydrophobicContact CB-CG2 3.79Å; M102-Y113 HydrophobicContact SD-CE1 4.24Å
103	S	97	Very high	97	Very high	47 Å²	47	57.8 Å²	57.8	33%	0.329	31%	0.308	S	S	.	.			trans	-125.3	156.1	171.2	72.5	0	0	0	0	110.2	R86 V105	R86-S103 WeakPolarHBondContact CB-O 3.5Å; R86-S103 WeakPolarHBondContact O-CB 3.31Å; R86-S103 PolarHBondContact O-N 2.98Å; R86-S103 PolarHBondContact O-OG 3.24Å; S103-V105 VanDerWaalsContact C-N 3.28Å; S103-V105 PolarHBondContact O-N 2.79Å
104	N	96.7	Very high	97	Very high	80 Å²	80	58.5 Å²	58.5	43%	0.428	31%	0.309	S	S	.	.	S	Bend	trans	48.8	50.9	-178.8	-168.8	23.4	0	0	0	111.9	G35 R86 R106	G35-N104 PolarHBondContact O-N 3.17Å; G35-N104 VanDerWaalsContact O-N 3.1Å; R86-N104 PolarHBondContact NH1-O 3.32Å; R86-N104 VanDerWaalsContact NH1-O 3.16Å; N104-R106 PolarHBondContact O-N 3.02Å
105	V	96.7	Very high	97	Very high	11 Å²	11	51 Å²	51	7%	0.067	27%	0.269	C	S	.	.			trans	-65.2	132.7	-176.2	178.3	0	0	0	0	109.9	V31 P33 G34 G35 M102 S103 D109	V31-V105 HydrophobicContact CG1-CB 4.14Å; V31-V105 HydrophobicContact CG1-CG1 3.69Å; V31-V105 HydrophobicContact CG1-CG2 4.44Å; P33-V105 CarbonylContact C-O 3.53Å; P33-V105 WeakPolarHBondContact CA-O 3.22Å; G34-V105 PolarHBondContact N-O 2.82Å; G35-V105 PolarHBondContact O-N 3.12Å; M102-V105 HydrophobicContact CB-CG2 3.79Å; S103-V105 VanDerWaalsContact C-N 3.28Å; S103-V105 PolarHBondContact O-N 2.79Å; V105-D109 HydrophobicContact CG1-CB 4.06Å
106	R	95.6	Very high	97	Very high	112 Å²	112	49 Å²	49	42%	0.423	26%	0.262	S	S	.	.			trans	-111.1	165	-178.2	-64.1	168.7	-175	177.6	0.3	110.3	N104 E108 D109	N104-R106 PolarHBondContact O-N 3.02Å; R106-E108 HydrophobicContact CB-CG 3.73Å; R106-E108 WeakPolarHBondContact CD-OE1 3.4Å; R106-E108 IonicContact CZ-OE1 2.67Å; R106-E108 IonicContact NE-OE1 3.39Å; R106-E108 IonicContact NH1-OE1 3.35Å; R106-E108 PolarHBondContact NH1-OE1 3.27Å; R106-E108 PolarHBondContact O-N 3.4Å; R106-D109 PolarHBondContact N-OD2 3.28Å; R106-D109 WeakPolarHBondContact O-CB 3.38Å; R106-D109 PolarHBondContact O-N 2.65Å
107	S	94	Very high	96.7	Very high	101 Å²	101	53.5 Å²	53.5	71%	0.706	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-57.7	-34	175.2	53.1	0	0	0	0	112.7	D109 T110	S107-D109 PolarHBondContact O-N 2.97Å; S107-T110 WeakPolarHBondContact O-CB 3.41Å; S107-T110 PolarHBondContact O-N 3.18Å; S107-T110 PolarHBondContact O-OG1 2.82Å
108	E	93.6	Very high	96.6	Very high	107 Å²	107	55.9 Å²	55.9	50%	0.5	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-63.5	-19.1	175.7	66.3	-166.4	-166.6	0	0	114.3	R106 T110	R106-E108 HydrophobicContact CB-CG 3.73Å; R106-E108 WeakPolarHBondContact CD-OE1 3.4Å; R106-E108 IonicContact CZ-OE1 2.67Å; R106-E108 IonicContact NE-OE1 3.39Å; R106-E108 IonicContact NH1-OE1 3.35Å; R106-E108 PolarHBondContact NH1-OE1 3.27Å; R106-E108 PolarHBondContact O-N 3.4Å; E108-T110 VanDerWaalsContact C-N 3.28Å
109	D	95.5	Very high	96.5	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.027	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-86	-0.1	177.7	-58.1	-49	0	0	0	112.9	R57 R86 F87 V105 R106 S107 A111 Y113	R57-D109 IonicContact NH1-OD1 2.82Å; R57-D109 PolarHBondContact NH1-OD1 3.11Å; R86-D109 IonicContact CZ-OD1 3.9Å; R86-D109 IonicContact CZ-OD2 2.8Å; R86-D109 IonicContact NH1-OD1 3.82Å; R86-D109 IonicContact NH1-OD2 3.26Å; R86-D109 PolarHBondContact NH1-OD2 2.72Å; R86-D109 IonicContact NH2-OD1 2.72Å; R86-D109 PolarHBondContact NH2-OD1 3.27Å; R86-D109 IonicContact NH2-OD2 3.19Å; R86-D109 PolarHBondContact NH2-OD2 2.9Å; F87-D109 HydrophobicContact CZ-CB 4.08Å; V105-D109 HydrophobicContact CG1-CB 4.06Å; R106-D109 PolarHBondContact N-OD2 3.28Å; R106-D109 WeakPolarHBondContact O-CB 3.38Å; R106-D109 PolarHBondContact O-N 2.65Å; S107-D109 PolarHBondContact O-N 2.97Å; D109-A111 PolarHBondContact O-N 2.97Å; D109-Y113 WeakPolarHBondContact O-CE2 3.21Å; D109-Y113 PolarHBondContact O-OH 2.92Å
110	T	95.8	Very high	96.4	Very high	95 Å²	95	59.1 Å²	59.1	58%	0.583	31%	0.305	S	S	*	.			trans	-67.5	106.2	176.1	-53.1	0	0	0	0	109.6	S107 E108	S107-T110 WeakPolarHBondContact O-CB 3.41Å; S107-T110 PolarHBondContact O-N 3.18Å; S107-T110 PolarHBondContact O-OG1 2.82Å; E108-T110 VanDerWaalsContact C-N 3.28Å
111	A	97.1	Very high	96.3	Very high	24 Å²	24	62.5 Å²	62.5	20%	0.198	32%	0.323	C	S	.	.	S	Bend	trans	-157.1	163.6	-176	0	0	0	0	0	110.3	R57 Q58 D109 Y113	R57-A111 HydrophobicContact CB-CB 3.88Å; R57-A111 HydrophobicContact CG-CB 4.26Å; Q58-A111 CarbonylContact O-C 3.47Å; Q58-A111 VanDerWaalsContact O-CA 3.28Å; Q58-A111 WeakPolarHBondContact O-CA 3.37Å; Q58-A111 VanDerWaalsContact O-CB 3.3Å; Q58-A111 WeakPolarHBondContact O-CB 3.29Å; D109-A111 PolarHBondContact O-N 2.97Å; A111-Y113 HydrophobicContact CB-CD2 4.33Å; A111-Y113 HydrophobicContact CB-CE2 3.84Å; A111-Y113 VanDerWaalsContact O-CD2 3.31Å; A111-Y113 WeakPolarHBondContact O-CD2 3.03Å; A111-Y113 WeakPolarHBondContact O-CE2 3.47Å
112	T	97.3	Very high	96.2	Very high	77 Å²	77	61.4 Å²	61.4	47%	0.472	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	131.6	159.7	-50.7	0	0	0	0	108	R57 Q58 F114	R57-T112 CarbonylContact C-O 3.47Å; R57-T112 VanDerWaalsContact CA-O 3.26Å; R57-T112 WeakPolarHBondContact CA-O 3.3Å; Q58-T112 PolarHBondContact N-O 2.8Å; Q58-T112 PolarHBondContact O-N 3.02Å; T112-F114 HydrophobicContact CG2-CD2 4.4Å; T112-F114 HydrophobicContact CG2-CE1 3.82Å; T112-F114 HydrophobicContact CG2-CE2 3.63Å; T112-F114 HydrophobicContact CG2-CZ 3.3Å
113	Y	97.9	Very high	96.1	Very high	27 Å²	27	64.8 Å²	64.8	11%	0.106	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.5	-179.9	-71.2	-103.5	0	0	0	109	L39 V56 R57 I67 F87 L100 M102 D109 A111	L39-Y113 HydrophobicContact CD1-CD1 4.04Å; L39-Y113 HydrophobicContact CD1-CD2 4.02Å; L39-Y113 HydrophobicContact CD1-CG 3.59Å; V56-Y113 WeakPolarHBondContact O-CA 3.28Å; R57-Y113 HydrophobicContact CB-CD1 3.9Å; R57-Y113 HydrophobicContact CB-CE1 3.86Å; R57-Y113 HydrophobicContact CB-CG 4.31Å; I67-Y113 HydrophobicContact CD1-CD1 3.9Å; I67-Y113 HydrophobicContact CD1-CE1 3.72Å; F87-Y113 HydrophobicContact CE2-CE1 4.4Å; L100-Y113 HydrophobicContact CD2-CD1 3.76Å; L100-Y113 HydrophobicContact CD2-CE1 3.92Å; M102-Y113 HydrophobicContact SD-CE1 4.24Å; D109-Y113 WeakPolarHBondContact O-CE2 3.21Å; D109-Y113 PolarHBondContact O-OH 2.92Å; A111-Y113 HydrophobicContact CB-CD2 4.33Å; A111-Y113 HydrophobicContact CB-CE2 3.84Å; A111-Y113 VanDerWaalsContact O-CD2 3.31Å; A111-Y113 WeakPolarHBondContact O-CD2 3.03Å; A111-Y113 WeakPolarHBondContact O-CE2 3.47Å
114	F	98	Very high	96	Very high	70 Å²	70	66.1 Å²	66.1	31%	0.307	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.6	177.8	-53.1	-85.3	0	0	0	109.3	E25 V56 Q58 L64 T112	E25-F114 VanDerWaalsContact OE1-CA 3.29Å; E25-F114 WeakPolarHBondContact OE1-CA 3.34Å; V56-F114 HydrophobicContact CG2-CB 3.74Å; V56-F114 HydrophobicContact CG2-CD2 4.25Å; V56-F114 HydrophobicContact CG2-CG 4.48Å; V56-F114 PolarHBondContact N-O 3.1Å; V56-F114 PolarHBondContact O-N 2.87Å; V56-F114 VanDerWaalsContact O-O 3.14Å; Q58-F114 HydrophobicContact CB-CE2 4.11Å; L64-F114 HydrophobicContact CD2-CD2 4.07Å; L64-F114 HydrophobicContact CD2-CE2 4.18Å; T112-F114 HydrophobicContact CG2-CD2 4.4Å; T112-F114 HydrophobicContact CG2-CE1 3.82Å; T112-F114 HydrophobicContact CG2-CE2 3.63Å; T112-F114 HydrophobicContact CG2-CZ 3.3Å
115	C	97.9	Very high	96	Very high	6 Å²	6	65 Å²	65	4%	0.041	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	153.2	166.3	55	0	0	0	0	110.3	L23 E25 C41 S54 W55 L98	L23-C115 WeakPolarHBondContact CD1-O 3.42Å; E25-C115 PolarHBondContact OE1-N 2.71Å; E25-C115 PolarHBondContact OE1-SG 3.05Å; C41-C115 HydrophobicContact CB-CB 3.44Å; C41-C115 VanDerWaalsContact CB-CB 3.44Å; C41-C115 WeakPolarHBondContact CB-SG 3.49Å; C41-C115 WeakPolarHBondContact SG-CB 3.49Å; C41-C115 CovalentContact SG-SG 2Å; C41-C115 PolarHBondContact SG-SG 3.41Å; S54-C115 CarbonylContact O-C 3.52Å; S54-C115 VanDerWaalsContact O-CA 3.24Å; S54-C115 WeakPolarHBondContact O-CA 3.29Å; W55-C115 HydrophobicContact CE3-CB 4.31Å; W55-C115 HydrophobicContact CH2-CB 4.41Å; W55-C115 HydrophobicContact CZ3-CB 4.25Å; L98-C115 HydrophobicContact CD2-CB 4.08Å
116	M	96.8	Very high	95.9	Very high	80 Å²	80	69.5 Å²	69.5	39%	0.394	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	146.9	178.5	-65.8	179.8	167.6	0	0	109.8	M53 S54 V56	M53-M116 CarbonylContact C-O 3.58Å; M53-M116 WeakPolarHBondContact CA-O 3.24Å; M53-M116 WeakPolarHBondContact CE-O 3.45Å; S54-M116 PolarHBondContact N-O 2.93Å; S54-M116 PolarHBondContact O-N 3.42Å; V56-M116 HydrophobicContact CB-CE 4.42Å; V56-M116 HydrophobicContact CB-SD 4.37Å; V56-M116 HydrophobicContact CG1-CE 4.14Å; V56-M116 HydrophobicContact CG1-CG 4.4Å; V56-M116 HydrophobicContact CG1-SD 3.52Å; V56-M116 VanDerWaalsContact CG1-SD 3.52Å; V56-M116 HydrophobicContact CG2-CE 3.47Å; V56-M116 VanDerWaalsContact CG2-CE 3.47Å; V56-M116 HydrophobicContact CG2-CG 4.31Å; V56-M116 HydrophobicContact CG2-SD 3.87Å
117	R	91.3	Very high	95.9	Very high	130 Å²	130	65.6 Å²	65.6	49%	0.491	35%	0.348	S	S	.	.			trans	-104.9	0	172.3	-179.2	-177.2	69.2	122.7	-8.4	110.1	F46 F51 M53	F46-R117 HydrophobicContact CD2-CG 4.41Å; F46-R117 HydrophobicContact CE2-CG 4.02Å; F46-R117 HydrophobicContact CZ-CG 4.5Å; F51-R117 HydrophobicContact CB-CG 3.5Å; F51-R117 HydrophobicContact CD1-CG 3.74Å; F51-R117 HydrophobicContact CD2-CG 4.13Å; F51-R117 HydrophobicContact CG-CG 3.5Å; F51-R117 VanDerWaalsContact CG-CG 3.5Å; M53-R117 HydrophobicContact CE-CB 4.05Å; M53-R117 HydrophobicContact SD-CB 3.87Å; M53-R117 HydrophobicContact SD-CG 3.95Å

Retrieved 117 of 117 residues in 77.4 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).