A0A075B5P9_MOUSE Loading...

Immunoglobulin heavy variable 5-4

AlphaFold DB , UniProt , Accession A0A075B5P9, Species MOUSE (Mus musculus, Mouse), Gene Ighv5-4, Length 117 aa.

						>A0A075B5P9_MOUSE|A0A075B5P9|Ighv5-4
MNFGLSLIFLVLVLKGVQCEVQLVESGGGLVKPGGSLKLSCAASGFTFSSYAMSWVRQTPEKRLEWVATISDGGSYTYYPDNVKGRFTISRDNAKNNLYLQMSHLKSEDTAMYYCAR
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.3	Very low	57.8	Low	213 Å²	213	121.5 Å²	121.5	100%	1.049	65%	0.65	S	S	*	*				0	105.4	0	-151.7	143.4	65.8	0	0	106.7	F3	M1-F3 VanDerWaalsContact O-CD2 3.28Å; M1-F3 WeakPolarHBondContact O-CD2 3.48Å; M1-F3 PolarHBondContact O-N 3.24Å
2	N	55.3	Low	58.1	Low	130 Å²	130	120.4 Å²	120.4	70%	0.695	64%	0.643	S	S	*	*			trans	-71.7	94.3	-161.3	-81.3	-9.5	0	0	0	113	G4 L5	N2-G4 PolarHBondContact O-N 3.22Å; N2-L5 HydrophobicContact CB-CD1 4Å; N2-L5 HydrophobicContact CB-CG 4.47Å
3	F	59.1	Low	58.5	Low	180 Å²	180	120.3 Å²	120.3	79%	0.789	65%	0.649	S	S	*	*	H	α-helix	trans	-66.6	-21.1	171.7	-67.4	-78.6	0	0	0	113.4	M1	M1-F3 VanDerWaalsContact O-CD2 3.28Å; M1-F3 WeakPolarHBondContact O-CD2 3.48Å; M1-F3 PolarHBondContact O-N 3.24Å
4	G	58	Low	58.7	Low	50 Å²	50	121.6 Å²	121.6	52%	0.515	66%	0.655	S	S	.	*	H	α-helix	trans	-70.9	-31.4	-178.4	0	0	0	0	0	115	N2	N2-G4 PolarHBondContact O-N 3.22Å
5	L	59.4	Low	58.8	Low	93 Å²	93	124.7 Å²	124.7	49%	0.487	66%	0.66	S	S	.	*	H	α-helix	trans	-69.4	-37.4	179.9	-76.9	163.1	0	0	0	111.4	N2 L7 I8 F9	N2-L5 HydrophobicContact CB-CD1 4Å; N2-L5 HydrophobicContact CB-CG 4.47Å; L5-L7 VanDerWaalsContact C-N 3.3Å; L5-L7 PolarHBondContact O-N 3.14Å; L5-I8 PolarHBondContact O-N 3.41Å; L5-F9 VanDerWaalsContact O-CD2 3.24Å; L5-F9 WeakPolarHBondContact O-CD2 3.48Å; L5-F9 PolarHBondContact O-N 2.95Å
6	S	59.9	Low	59	Low	90 Å²	90	120.4 Å²	120.4	63%	0.629	66%	0.655	S	S	*	*	H	α-helix	trans	-62.9	-35	-178.7	-163.5	0	0	0	0	112.7	L10	S6-L10 PolarHBondContact O-N 3.49Å
7	L	58.1	Low	59.5	Low	122 Å²	122	121.4 Å²	121.4	64%	0.639	67%	0.665	S	S	*	*	H	α-helix	trans	-72	-36.7	178.4	-163.5	70.6	0	0	0	112.2	L5 L10 V11	L5-L7 VanDerWaalsContact C-N 3.3Å; L5-L7 PolarHBondContact O-N 3.14Å; L7-L10 PolarHBondContact O-N 3.35Å; L7-V11 PolarHBondContact O-N 3.31Å
8	I	60.1	Low	59.5	Low	110 Å²	110	124.2 Å²	124.2	56%	0.564	67%	0.673	S	S	*	*	H	α-helix	trans	-65.3	-39.7	176.7	-63.7	171.9	0	0	0	110.8	L5 L10 V11 L12	L5-I8 PolarHBondContact O-N 3.41Å; I8-L10 VanDerWaalsContact C-N 3.28Å; I8-L10 PolarHBondContact O-N 3.38Å; I8-V11 PolarHBondContact O-N 3.03Å; I8-L12 PolarHBondContact O-N 3.08Å
9	F	58.1	Low	60	Low	142 Å²	142	123.9 Å²	123.9	62%	0.623	68%	0.68	S	S	*	*	H	α-helix	trans	-61.3	-35.2	175.6	-84.9	-76.4	0	0	0	112.5	L5	L5-F9 VanDerWaalsContact O-CD2 3.24Å; L5-F9 WeakPolarHBondContact O-CD2 3.48Å; L5-F9 PolarHBondContact O-N 2.95Å
10	L	57	Low	61.4	Low	108 Å²	108	125.3 Å²	125.3	57%	0.565	68%	0.681	S	S	*	*	H	α-helix	trans	-71.6	-37.1	179.4	-157.6	81.2	0	0	0	112.9	S6 L7 I8 L12 V13 L14	S6-L10 PolarHBondContact O-N 3.49Å; L7-L10 PolarHBondContact O-N 3.35Å; I8-L10 VanDerWaalsContact C-N 3.28Å; I8-L10 PolarHBondContact O-N 3.38Å; L10-L12 PolarHBondContact O-N 2.97Å; L10-V13 PolarHBondContact O-N 3.43Å; L10-L14 PolarHBondContact O-N 2.87Å
11	V	63	Low	62.9	Low	98 Å²	98	122.3 Å²	122.3	59%	0.594	67%	0.667	S	S	*	*	H	α-helix	trans	-62.6	-33.3	178.3	176.5	0	0	0	0	111.6	L7 I8 L14	L7-V11 PolarHBondContact O-N 3.31Å; I8-V11 PolarHBondContact O-N 3.03Å; V11-L14 PolarHBondContact O-N 2.95Å
12	L	60.5	Low	65.1	Low	109 Å²	109	117.5 Å²	117.5	57%	0.571	64%	0.642	S	S	*	*	H	α-helix	trans	-70	-30.2	177.7	-69.9	172.1	0	0	0	113.1	I8 L10 L14	I8-L12 PolarHBondContact O-N 3.08Å; L10-L12 PolarHBondContact O-N 2.97Å; L12-L14 VanDerWaalsContact C-N 3.34Å
13	V	63.6	Low	67.2	Low	119 Å²	119	113.6 Å²	113.6	72%	0.721	62%	0.621	S	S	*	*	H	α-helix	trans	-75.1	-26.3	178.9	-177.8	0	0	0	0	111.7	L10 K15	L10-V13 PolarHBondContact O-N 3.43Å; V13-K15 VanDerWaalsContact C-N 3.29Å; V13-K15 PolarHBondContact O-N 3.3Å
14	L	61.1	Low	69	Low	139 Å²	139	108.1 Å²	108.1	73%	0.728	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	10.1	177.7	-66.8	176.8	0	0	0	114.4	L10 V11 L12 G16	L10-L14 PolarHBondContact O-N 2.87Å; V11-L14 PolarHBondContact O-N 2.95Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L14-G16 PolarHBondContact O-N 2.67Å
15	K	60.9	Low	70.9	Confident	167 Å²	167	108.9 Å²	108.9	73%	0.726	59%	0.592	S	S	*	*	S	Bend	trans	-68.3	78.4	158.9	-67	-157.5	178.4	-169.8	0	107.3	V13 V17	V13-K15 VanDerWaalsContact C-N 3.29Å; V13-K15 PolarHBondContact O-N 3.3Å; K15-V17 PolarHBondContact O-N 2.85Å
16	G	62.1	Low	72.8	Confident	57 Å²	57	107.3 Å²	107.3	59%	0.588	59%	0.589	S	S	*	*			trans	-49.3	134.3	-174	0	0	0	0	0	109.9	L14 Q18	L14-G16 PolarHBondContact O-N 2.67Å; G16-Q18 VanDerWaalsContact C-N 3.34Å; G16-Q18 PolarHBondContact O-N 3.05Å
17	V	67.2	Low	74.5	Confident	136 Å²	136	106 Å²	106	82%	0.824	59%	0.589	S	S	*	*			trans	-58	100.8	171.5	176.7	0	0	0	0	106.9	K15 C19	K15-V17 PolarHBondContact O-N 2.85Å; V17-C19 PolarHBondContact O-N 3.31Å
18	Q	59	Low	76.1	Confident	172 Å²	172	101.6 Å²	101.6	80%	0.804	57%	0.574	S	S	*	*			trans	-72.4	111.6	167.4	-80.3	-162.8	-72.6	0	0	106.8	G16 E20	G16-Q18 VanDerWaalsContact C-N 3.34Å; G16-Q18 PolarHBondContact O-N 3.05Å; Q18-E20 PolarHBondContact O-N 2.98Å
19	C	69.9	Low	77.7	Confident	119 Å²	119	99.1 Å²	99.1	80%	0.804	58%	0.575	S	S	*	*			trans	-69.8	78.7	164.9	-76.4	0	0	0	0	108.3	V17	V17-C19 PolarHBondContact O-N 3.31Å
20	E	87.7	Confident	79.4	Confident	152 Å²	152	101.1 Å²	101.1	71%	0.71	59%	0.592	S	S	*	*			trans	-81.2	147.1	173	-166.2	172.1	-174.9	0	0	110	Q18 Q22	Q18-E20 PolarHBondContact O-N 2.98Å; E20-Q22 PolarHBondContact O-N 3.05Å
21	V	92	Very high	81.1	Confident	62 Å²	62	99.1 Å²	99.1	38%	0.376	58%	0.584	S	S	.	*			trans	-68.7	129	171.8	170.7	0	0	0	0	108.5	F46	V21-F46 HydrophobicContact CG1-CD1 3.73Å; V21-F46 HydrophobicContact CG1-CE1 3.92Å; V21-F46 HydrophobicContact CG2-CB 4.47Å; V21-F46 HydrophobicContact CG2-CD1 4.34Å
22	Q	95.7	Very high	82.5	Confident	112 Å²	112	103 Å²	103	52%	0.523	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.9	136.2	178	-158.3	-177.6	31.3	0	0	110.8	E20 V24 A43 S44	E20-Q22 PolarHBondContact O-N 3.05Å; Q22-V24 HydrophobicContact CG-CG2 3.77Å; Q22-A43 CarbonylContact O-C 3.55Å; Q22-A43 WeakPolarHBondContact O-CA 3.49Å; Q22-S44 WeakPolarHBondContact CB-OG 3.23Å; Q22-S44 PolarHBondContact N-O 3.13Å; Q22-S44 PolarHBondContact O-N 3.27Å
23	L	97.9	Very high	84.1	Confident	48 Å²	48	103.1 Å²	103.1	25%	0.251	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.7	124	170.4	-65.2	-179.2	0	0	0	106.7	A42 A43 F46 M53 C115	L23-A42 WeakPolarHBondContact CA-O 3.45Å; L23-A43 HydrophobicContact CD2-CB 3.61Å; L23-F46 HydrophobicContact CD2-CE1 3.97Å; L23-F46 HydrophobicContact CD2-CZ 4.18Å; L23-M53 HydrophobicContact CD2-CE 4.01Å; L23-C115 WeakPolarHBondContact CD1-O 3.36Å
24	V	98.1	Very high	85.7	Confident	65 Å²	65	99.8 Å²	99.8	39%	0.394	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.7	100.8	-175.6	-174.6	0	0	0	0	109.7	Q22 C41 A42	Q22-V24 HydrophobicContact CG-CG2 3.77Å; V24-C41 WeakPolarHBondContact O-CA 3.42Å; V24-A42 PolarHBondContact N-O 2.8Å; V24-A42 PolarHBondContact O-N 3.06Å
25	E	98.4	Very high	87.4	Confident	67 Å²	67	94.2 Å²	94.2	31%	0.313	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.9	143.7	175.9	-59.6	84.5	171.5	0	0	112.2	S40 C41 W55 Y114 C115	E25-S40 CarbonylContact C-O 3.56Å; E25-S40 WeakPolarHBondContact CA-O 3.27Å; E25-C41 HydrophobicContact CG-CB 4.37Å; E25-W55 HydrophobicContact CB-CH2 4.42Å; E25-W55 HydrophobicContact CB-CZ3 4.47Å; E25-W55 HydrophobicContact CG-CH2 3.97Å; E25-W55 HydrophobicContact CG-CZ3 3.81Å; E25-Y114 WeakPolarHBondContact OE1-CA 3.24Å; E25-C115 PolarHBondContact OE1-N 3.36Å; E25-C115 PolarHBondContact OE1-SG 3.05Å
26	S	98	Very high	89.1	Confident	59 Å²	59	89.3 Å²	89.3	41%	0.413	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-154.8	165.8	-178.9	48.7	0	0	0	0	111	S40	S26-S40 PolarHBondContact N-O 2.82Å; S26-S40 PolarHBondContact O-N 2.81Å; S26-S40 PolarHBondContact O-OG 2.92Å; S26-S40 PolarHBondContact OG-O 2.91Å; S26-S40 PolarHBondContact OG-OG 3.43Å
27	G	95.8	Very high	90.8	Very high	62 Å²	62	88.1 Å²	88.1	64%	0.639	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	87.3	-155	-172.5	0	0	0	0	0	111.5
28	G	91.7	Very high	92.2	Very high	31 Å²	31	87.1 Å²	87.1	32%	0.32	52%	0.517	S	S	.	.			trans	76.2	-158.4	-172.3	0	0	0	0	0	112.1	K38 L39	G28-K38 PolarHBondContact N-O 3.46Å; G28-L39 VanDerWaalsContact CA-CD2 3.43Å; G28-L39 VanDerWaalsContact N-CD2 3.27Å
29	G	94.5	Very high	94.1	Very high	58 Å²	58	79.5 Å²	79.5	60%	0.598	48%	0.482	S	S	*	.			trans	126.3	-179.9	-177.2	0	0	0	0	0	112.6	L37	G29-L37 WeakPolarHBondContact O-CD1 3.27Å
30	L	93.2	Very high	95.5	Very high	184 Å²	184	75.3 Å²	75.3	96%	0.963	45%	0.454	S	S	*	.			trans	-83.4	122.7	178.4	-62.2	176.9	0	0	0	109.8
31	V	93.9	Very high	96	Very high	66 Å²	66	68.1 Å²	68.1	40%	0.4	42%	0.42	S	S	.	.			trans	-130.3	153.6	172.9	-63.7	0	0	0	0	110.1	L37 L105	V31-L37 HydrophobicContact CB-CG 4.45Å; V31-L37 HydrophobicContact CG1-CD1 4.16Å; V31-L37 HydrophobicContact CG1-CD2 3.5Å; V31-L37 VanDerWaalsContact CG1-CD2 3.5Å; V31-L37 HydrophobicContact CG1-CG 3.67Å; V31-L37 HydrophobicContact CG2-CD1 3.81Å; V31-L37 HydrophobicContact CG2-CG 3.89Å; V31-L105 HydrophobicContact CG2-CD1 3.51Å
32	K	92.3	Very high	96.3	Very high	178 Å²	178	67.1 Å²	67.1	77%	0.774	42%	0.419	S	S	*	.			trans	-68.8	151.4	173.5	-65.4	-177.3	-179.4	179.6	0	110.1	G34 G35	K32-G34 PolarHBondContact O-N 2.82Å; K32-G35 WeakPolarHBondContact O-CA 3.27Å; K32-G35 PolarHBondContact O-N 3.3Å
33	P	93.9	Very high	96.4	Very high	112 Å²	112	62.1 Å²	62.1	73%	0.727	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	140.6	169.2	-27	35.1	0	0	0	111.8	G35	P33-G35 PolarHBondContact O-N 3.13Å
34	G	96	Very high	96.4	Very high	49 Å²	49	62.2 Å²	62.2	51%	0.505	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-9.9	-172.4	0	0	0	0	0	114.8	K32 L105	K32-G34 PolarHBondContact O-N 2.82Å; G34-L105 PolarHBondContact N-O 3.45Å
35	G	96.7	Very high	96.2	Very high	23 Å²	23	61.3 Å²	61.3	24%	0.237	41%	0.405	C	S	.	.			trans	-68	-177.6	175.9	0	0	0	0	0	114	K32 P33 H104 L105	K32-G35 WeakPolarHBondContact O-CA 3.27Å; K32-G35 PolarHBondContact O-N 3.3Å; P33-G35 PolarHBondContact O-N 3.13Å; G35-H104 PolarHBondContact O-N 2.73Å; G35-L105 PolarHBondContact O-N 3.15Å; G35-L105 VanDerWaalsContact O-N 3.14Å
36	S	97.3	Very high	96	Very high	63 Å²	63	59.6 Å²	59.6	44%	0.441	40%	0.397	S	S	.	.			trans	-131.2	149.7	177.4	-63.7	0	0	0	0	110.9	M102 S103	S36-M102 CarbonylContact C-O 3.51Å; S36-M102 WeakPolarHBondContact CA-O 3.31Å; S36-M102 VanDerWaalsContact CB-O 3.23Å; S36-M102 WeakPolarHBondContact CB-O 3.49Å; S36-S103 WeakPolarHBondContact OG-CA 3.14Å; S36-S103 PolarHBondContact OG-OG 3.39Å
37	L	97.2	Very high	95.9	Very high	33 Å²	33	60.8 Å²	60.8	17%	0.173	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.3	175.5	-79.2	173.1	0	0	0	109.8	G29 V31 Q101 M102 L105	G29-L37 WeakPolarHBondContact O-CD1 3.27Å; V31-L37 HydrophobicContact CB-CG 4.45Å; V31-L37 HydrophobicContact CG1-CD1 4.16Å; V31-L37 HydrophobicContact CG1-CD2 3.5Å; V31-L37 VanDerWaalsContact CG1-CD2 3.5Å; V31-L37 HydrophobicContact CG1-CG 3.67Å; V31-L37 HydrophobicContact CG2-CD1 3.81Å; V31-L37 HydrophobicContact CG2-CG 3.89Å; L37-Q101 PolarHBondContact O-NE2 3.48Å; L37-M102 HydrophobicContact CB-CE 3.54Å; L37-M102 HydrophobicContact CD1-CE 4.2Å; L37-M102 PolarHBondContact N-O 3.25Å; L37-M102 PolarHBondContact O-N 2.87Å; L37-L105 HydrophobicContact CB-CD1 3.96Å; L37-L105 HydrophobicContact CD1-CD1 3.83Å; L37-L105 HydrophobicContact CG-CD1 3.83Å
38	K	98.1	Very high	96	Very high	115 Å²	115	57.9 Å²	57.9	50%	0.5	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.6	169.8	-173.9	176.6	178.1	178.5	0	109	G28 L100	G28-K38 PolarHBondContact N-O 3.46Å; K38-L100 WeakPolarHBondContact CA-O 3.36Å
39	L	98.6	Very high	96.2	Very high	11 Å²	11	58.8 Å²	58.8	6%	0.058	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	150.4	169.2	-50.7	-175.6	0	0	0	109.7	G28 W55 Y99 L100 M102 Y113	G28-L39 VanDerWaalsContact CA-CD2 3.43Å; G28-L39 VanDerWaalsContact N-CD2 3.27Å; L39-W55 HydrophobicContact CB-CH2 3.7Å; L39-W55 HydrophobicContact CB-CZ2 3.87Å; L39-W55 HydrophobicContact CB-CZ3 4.25Å; L39-W55 HydrophobicContact CD1-CE3 4.23Å; L39-W55 HydrophobicContact CD1-CH2 4.28Å; L39-W55 HydrophobicContact CD1-CZ3 3.96Å; L39-Y99 VanDerWaalsContact O-CA 3.3Å; L39-Y99 WeakPolarHBondContact O-CA 3.2Å; L39-L100 HydrophobicContact CB-CB 4.19Å; L39-L100 HydrophobicContact CD1-CD2 4.18Å; L39-L100 PolarHBondContact N-O 2.93Å; L39-L100 PolarHBondContact O-N 3.48Å; L39-M102 HydrophobicContact CD1-CE 3.9Å; L39-M102 HydrophobicContact CD1-SD 4.34Å; L39-M102 HydrophobicContact CD2-CE 3.87Å; L39-M102 HydrophobicContact CG-CE 3.61Å; L39-Y113 VanDerWaalsContact CD1-CB 3.41Å; L39-Y113 HydrophobicContact CD1-CD1 3.82Å; L39-Y113 HydrophobicContact CD1-CD2 4.14Å; L39-Y113 HydrophobicContact CD1-CG 3.53Å
40	S	98.6	Very high	96.3	Very high	32 Å²	32	59.6 Å²	59.6	22%	0.224	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.8	170.9	39.3	0	0	0	0	110.3	E25 S26 L98	E25-S40 CarbonylContact C-O 3.56Å; E25-S40 WeakPolarHBondContact CA-O 3.27Å; S26-S40 PolarHBondContact N-O 2.82Å; S26-S40 PolarHBondContact O-N 2.81Å; S26-S40 PolarHBondContact O-OG 2.92Å; S26-S40 PolarHBondContact OG-O 2.91Å; S26-S40 PolarHBondContact OG-OG 3.43Å; S40-L98 CarbonylContact C-O 3.49Å; S40-L98 WeakPolarHBondContact CA-O 3.38Å
41	C	98.7	Very high	96.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	119.4	172.1	158.6	0	0	0	0	108.9	V24 E25 W55 N97 L98 C115	V24-C41 WeakPolarHBondContact O-CA 3.42Å; E25-C41 HydrophobicContact CG-CB 4.37Å; C41-W55 HydrophobicContact CB-CH2 3.79Å; C41-W55 HydrophobicContact CB-CZ2 3.76Å; C41-N97 CarbonylContact O-C 3.6Å; C41-N97 VanDerWaalsContact O-CA 3.31Å; C41-N97 WeakPolarHBondContact O-CA 3.49Å; C41-L98 HydrophobicContact CB-CB 4.19Å; C41-L98 PolarHBondContact N-O 2.88Å; C41-L98 PolarHBondContact O-N 3.02Å; C41-C115 HydrophobicContact CB-CB 3.45Å; C41-C115 VanDerWaalsContact CB-CB 3.45Å; C41-C115 WeakPolarHBondContact CB-SG 3.24Å; C41-C115 WeakPolarHBondContact SG-CB 3.36Å; C41-C115 CovalentContact SG-SG 2.01Å; C41-C115 PolarHBondContact SG-SG 2.71Å
42	A	98.4	Very high	96.8	Very high	42 Å²	42	54.3 Å²	54.3	35%	0.347	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	126	174.4	0	0	0	0	0	110	L23 V24 N97	L23-A42 WeakPolarHBondContact CA-O 3.45Å; V24-A42 PolarHBondContact N-O 2.8Å; V24-A42 PolarHBondContact O-N 3.06Å; A42-N97 VanDerWaalsContact CA-OD1 3.24Å; A42-N97 WeakPolarHBondContact CA-OD1 3.28Å; A42-N97 WeakPolarHBondContact CB-OD1 3.02Å
43	A	98.1	Very high	97.1	Very high	6 Å²	6	45.8 Å²	45.8	5%	0.05	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	136.4	-176.3	0	0	0	0	0	111.7	Q22 L23 F46 F48 N96	Q22-A43 CarbonylContact O-C 3.55Å; Q22-A43 WeakPolarHBondContact O-CA 3.49Å; L23-A43 HydrophobicContact CD2-CB 3.61Å; A43-F46 HydrophobicContact CB-CE1 3.78Å; A43-F46 HydrophobicContact CB-CZ 3.79Å; A43-F48 HydrophobicContact CB-CD2 3.52Å; A43-F48 HydrophobicContact CB-CE2 4.01Å; A43-F48 HydrophobicContact CB-CG 4.38Å; A43-N96 HydrophobicContact CB-CB 4.5Å; A43-N96 WeakPolarHBondContact CB-O 3.15Å; A43-N96 PolarHBondContact N-O 3.28Å; A43-N96 VanDerWaalsContact O-CB 3.24Å; A43-N96 WeakPolarHBondContact O-CB 3.43Å
44	S	96.4	Very high	97.3	Very high	50 Å²	50	41 Å²	41	35%	0.35	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	167.6	175.9	77.5	0	0	0	0	111.5	Q22 F46	Q22-S44 WeakPolarHBondContact CB-OG 3.23Å; Q22-S44 PolarHBondContact N-O 3.13Å; Q22-S44 PolarHBondContact O-N 3.27Å; S44-F46 VanDerWaalsContact C-N 3.33Å; S44-F46 WeakPolarHBondContact O-CD1 3.11Å; S44-F46 PolarHBondContact O-N 3.16Å
45	G	94.7	Very high	97.4	Very high	47 Å²	47	38.7 Å²	38.7	49%	0.485	25%	0.247	S	C	.	.	S	Bend	trans	80.7	7.1	-178	0	0	0	0	0	115.1
46	F	94.4	Very high	97.5	Very high	31 Å²	31	38.5 Å²	38.5	14%	0.136	24%	0.241	C	C	.	.	S	Bend	trans	-157.9	168	172.6	68.6	-77.6	0	0	0	112.3	V21 L23 A43 S44 F48 Y51 M53 R117	V21-F46 HydrophobicContact CG1-CD1 3.73Å; V21-F46 HydrophobicContact CG1-CE1 3.92Å; V21-F46 HydrophobicContact CG2-CB 4.47Å; V21-F46 HydrophobicContact CG2-CD1 4.34Å; L23-F46 HydrophobicContact CD2-CE1 3.97Å; L23-F46 HydrophobicContact CD2-CZ 4.18Å; A43-F46 HydrophobicContact CB-CE1 3.78Å; A43-F46 HydrophobicContact CB-CZ 3.79Å; S44-F46 VanDerWaalsContact C-N 3.33Å; S44-F46 WeakPolarHBondContact O-CD1 3.11Å; S44-F46 PolarHBondContact O-N 3.16Å; F46-F48 HydrophobicContact CE2-CB 4.26Å; F46-F48 HydrophobicContact CE2-CD2 4.29Å; F46-F48 HydrophobicContact CZ-CD2 4.1Å; F46-F48 PolarHBondContact O-N 2.84Å; F46-Y51 AromaticContact CD2-CD2 3.55Å; F46-Y51 HydrophobicContact CD2-CD2 3.55Å; F46-Y51 AromaticContact CD2-CE2 3.82Å; F46-Y51 HydrophobicContact CD2-CE2 3.82Å; F46-Y51 HydrophobicContact CD2-CG 4.38Å; F46-Y51 AromaticContact CE2-CD2 3.92Å; F46-Y51 HydrophobicContact CE2-CD2 3.92Å; F46-Y51 HydrophobicContact CE2-CG 4.39Å; F46-M53 HydrophobicContact CE2-SD 4.22Å; F46-M53 HydrophobicContact CZ-CE 4.34Å; F46-M53 HydrophobicContact CZ-SD 4.07Å; F46-R117 VanDerWaalsContact CD2-NH1 3.27Å; F46-R117 HydrophobicContact CE2-CG 4.18Å
47	T	95.8	Very high	97.5	Very high	84 Å²	84	36 Å²	36	52%	0.515	22%	0.222	S	C	.	.			trans	-75.6	87.2	173.8	-50.2	0	0	0	0	110.4	S49 S50 Y51	T47-S49 PolarHBondContact O-N 3.16Å; T47-S49 VanDerWaalsContact O-N 3.14Å; T47-S50 WeakPolarHBondContact CG2-OG 3.4Å; T47-S50 WeakPolarHBondContact O-CB 3.3Å; T47-S50 PolarHBondContact O-N 2.99Å; T47-Y51 VanDerWaalsContact O-CD2 3.3Å; T47-Y51 WeakPolarHBondContact O-CD2 3.38Å
48	F	96.9	Very high	97.5	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-49.2	-41	-177.7	177.7	-101.2	0	0	0	113.9	A43 F46 S50 Y51 M53 R91 N93 N96 L98	A43-F48 HydrophobicContact CB-CD2 3.52Å; A43-F48 HydrophobicContact CB-CE2 4.01Å; A43-F48 HydrophobicContact CB-CG 4.38Å; F46-F48 HydrophobicContact CE2-CB 4.26Å; F46-F48 HydrophobicContact CE2-CD2 4.29Å; F46-F48 HydrophobicContact CZ-CD2 4.1Å; F46-F48 PolarHBondContact O-N 2.84Å; F48-S50 PolarHBondContact O-N 2.86Å; F48-S50 VanDerWaalsContact O-N 3.15Å; F48-Y51 PolarHBondContact O-N 2.9Å; F48-M53 HydrophobicContact CD2-CG 4.14Å; F48-M53 HydrophobicContact CD2-SD 4.18Å; F48-M53 HydrophobicContact CE2-CE 4.17Å; F48-M53 HydrophobicContact CE2-CG 3.58Å; F48-M53 HydrophobicContact CE2-SD 4.05Å; F48-M53 HydrophobicContact CZ-CG 4.11Å; F48-R91 VanDerWaalsContact CD1-NH2 3.29Å; F48-R91 HydrophobicContact CE1-CB 4.25Å; F48-R91 HydrophobicContact CZ-CB 4.21Å; F48-R91 PolarHBondContact O-NH2 3.33Å; F48-N93 WeakPolarHBondContact CD1-OD1 3.45Å; F48-N93 VanDerWaalsContact CE1-OD1 3.29Å; F48-N93 WeakPolarHBondContact CE1-OD1 3.24Å; F48-N96 HydrophobicContact CB-CB 3.88Å; F48-N96 WeakPolarHBondContact CB-OD1 3.45Å; F48-N96 HydrophobicContact CD1-CB 4.32Å; F48-N96 HydrophobicContact CG-CB 4.04Å; F48-L98 HydrophobicContact CE2-CB 4.46Å; F48-L98 HydrophobicContact CZ-CB 4.3Å
49	S	97.2	Very high	97.3	Very high	50 Å²	50	32.8 Å²	32.8	35%	0.35	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-67.2	-9	179.4	62.1	0	0	0	0	115.1	T47 D72	T47-S49 PolarHBondContact O-N 3.16Å; T47-S49 VanDerWaalsContact O-N 3.14Å; S49-D72 WeakPolarHBondContact O-CB 3.49Å
50	S	97	Very high	97.1	Very high	74 Å²	74	36.7 Å²	36.7	52%	0.517	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-97.4	1.4	178.8	-57.5	0	0	0	0	113.4	T47 F48	T47-S50 WeakPolarHBondContact CG2-OG 3.4Å; T47-S50 WeakPolarHBondContact O-CB 3.3Å; T47-S50 PolarHBondContact O-N 2.99Å; F48-S50 PolarHBondContact O-N 2.86Å; F48-S50 VanDerWaalsContact O-N 3.15Å
51	Y	97.5	Very high	96.8	Very high	99 Å²	99	41.6 Å²	41.6	39%	0.388	25%	0.254	S	S	.	.	S	Bend	trans	-129.3	140.4	-176.5	-63.6	-94.4	0	0	0	112.1	F46 T47 F48 D72 R91 R117	F46-Y51 AromaticContact CD2-CD2 3.55Å; F46-Y51 HydrophobicContact CD2-CD2 3.55Å; F46-Y51 AromaticContact CD2-CE2 3.82Å; F46-Y51 HydrophobicContact CD2-CE2 3.82Å; F46-Y51 HydrophobicContact CD2-CG 4.38Å; F46-Y51 AromaticContact CE2-CD2 3.92Å; F46-Y51 HydrophobicContact CE2-CD2 3.92Å; F46-Y51 HydrophobicContact CE2-CG 4.39Å; T47-Y51 VanDerWaalsContact O-CD2 3.3Å; T47-Y51 WeakPolarHBondContact O-CD2 3.38Å; F48-Y51 PolarHBondContact O-N 2.9Å; Y51-D72 WeakPolarHBondContact O-CA 3.44Å; Y51-R91 PolarHBondContact O-NH1 3.08Å; Y51-R91 PolarHBondContact O-NH2 3.01Å; Y51-R117 HydrophobicContact CD1-CG 3.65Å; Y51-R117 HydrophobicContact CD2-CG 4.48Å; Y51-R117 HydrophobicContact CE1-CG 4.45Å; Y51-R117 VanDerWaalsContact CG-CD 3.43Å; Y51-R117 HydrophobicContact CG-CG 3.67Å
52	A	98.2	Very high	96.3	Very high	40 Å²	40	49.7 Å²	49.7	33%	0.331	29%	0.289	S	S	.	.			trans	-61.9	148.6	159.2	0	0	0	0	0	109	I70	A52-I70 CarbonylContact C-O 3.51Å; A52-I70 VanDerWaalsContact CA-O 3.24Å; A52-I70 WeakPolarHBondContact CA-O 3.4Å; A52-I70 WeakPolarHBondContact CB-O 3.28Å
53	M	98.5	Very high	96.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	150.4	-179.1	-63.5	-63.6	-57.4	0	0	109	L23 F46 F48 T69 I70 L98 A116 R117	L23-M53 HydrophobicContact CD2-CE 4.01Å; F46-M53 HydrophobicContact CE2-SD 4.22Å; F46-M53 HydrophobicContact CZ-CE 4.34Å; F46-M53 HydrophobicContact CZ-SD 4.07Å; F48-M53 HydrophobicContact CD2-CG 4.14Å; F48-M53 HydrophobicContact CD2-SD 4.18Å; F48-M53 HydrophobicContact CE2-CE 4.17Å; F48-M53 HydrophobicContact CE2-CG 3.58Å; F48-M53 HydrophobicContact CE2-SD 4.05Å; F48-M53 HydrophobicContact CZ-CG 4.11Å; M53-T69 WeakPolarHBondContact O-CA 3.48Å; M53-I70 HydrophobicContact CB-CG2 4.33Å; M53-I70 PolarHBondContact N-O 2.92Å; M53-I70 PolarHBondContact O-N 3.32Å; M53-L98 HydrophobicContact CB-CD1 3.76Å; M53-L98 HydrophobicContact CB-CD2 3.86Å; M53-L98 HydrophobicContact CB-CG 4.37Å; M53-A116 CarbonylContact C-O 3.44Å; M53-A116 WeakPolarHBondContact CA-O 3.41Å; M53-A116 WeakPolarHBondContact CE-O 3.28Å; M53-R117 HydrophobicContact CE-CB 4.12Å; M53-R117 HydrophobicContact SD-CB 3.75Å; M53-R117 HydrophobicContact SD-CG 3.94Å
54	S	98.7	Very high	96	Very high	10 Å²	10	61.1 Å²	61.1	7%	0.07	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	155.9	-174.6	-63.3	0	0	0	0	111.1	A68 T69 C115 A116	S54-A68 CarbonylContact C-O 3.5Å; S54-A68 WeakPolarHBondContact CA-O 3.21Å; S54-A68 WeakPolarHBondContact CB-O 3.47Å; S54-T69 WeakPolarHBondContact OG-CB 3.49Å; S54-T69 VanDerWaalsContact OG-CG2 3.3Å; S54-T69 WeakPolarHBondContact OG-CG2 3.18Å; S54-T69 PolarHBondContact OG-OG1 2.79Å; S54-C115 CarbonylContact O-C 3.56Å; S54-C115 VanDerWaalsContact O-CA 3.28Å; S54-C115 WeakPolarHBondContact O-CA 3.49Å; S54-A116 PolarHBondContact N-O 3.44Å; S54-A116 PolarHBondContact O-N 2.88Å
55	W	98.7	Very high	96	Very high	1 Å²	1	61.3 Å²	61.3	0%	0.004	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.3	163.1	-77.5	96	0	0	0	109.1	E25 L39 C41 V67 A68 L98 L100 Y114 C115	E25-W55 HydrophobicContact CB-CH2 4.42Å; E25-W55 HydrophobicContact CB-CZ3 4.47Å; E25-W55 HydrophobicContact CG-CH2 3.97Å; E25-W55 HydrophobicContact CG-CZ3 3.81Å; L39-W55 HydrophobicContact CB-CH2 3.7Å; L39-W55 HydrophobicContact CB-CZ2 3.87Å; L39-W55 HydrophobicContact CB-CZ3 4.25Å; L39-W55 HydrophobicContact CD1-CE3 4.23Å; L39-W55 HydrophobicContact CD1-CH2 4.28Å; L39-W55 HydrophobicContact CD1-CZ3 3.96Å; C41-W55 HydrophobicContact CB-CH2 3.79Å; C41-W55 HydrophobicContact CB-CZ2 3.76Å; W55-V67 HydrophobicContact CB-CB 4.09Å; W55-V67 WeakPolarHBondContact O-CB 3.16Å; W55-V67 PolarHBondContact O-N 2.78Å; W55-A68 PolarHBondContact N-O 2.79Å; W55-A68 PolarHBondContact O-N 2.84Å; W55-L98 HydrophobicContact CG-CD2 4.38Å; W55-L100 HydrophobicContact CB-CD2 4.23Å; W55-L100 HydrophobicContact CD2-CB 4.19Å; W55-L100 HydrophobicContact CD2-CD2 4.36Å; W55-L100 HydrophobicContact CG-CB 4.13Å; W55-L100 HydrophobicContact CG-CD2 4.05Å; W55-L100 HydrophobicContact CG-CG 4.48Å; W55-L100 HydrophobicContact CZ2-CB 4.46Å; W55-Y114 CarbonylContact C-O 3.51Å; W55-Y114 WeakPolarHBondContact CA-O 3.32Å; W55-C115 HydrophobicContact CD2-CB 4.46Å; W55-C115 HydrophobicContact CE3-CB 4.38Å; W55-C115 HydrophobicContact CH2-CB 4.39Å; W55-C115 HydrophobicContact CZ2-CB 4.46Å; W55-C115 HydrophobicContact CZ3-CB 4.35Å
56	V	98.3	Very high	96.1	Very high	20 Å²	20	66.3 Å²	66.3	12%	0.121	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.9	172.2	-177.7	0	0	0	0	107.1	L64 E65 W66 Y113 Y114 A116	V56-L64 HydrophobicContact CG1-CB 4.37Å; V56-L64 HydrophobicContact CG1-CD2 4.06Å; V56-E65 CarbonylContact C-O 3.48Å; V56-E65 WeakPolarHBondContact CA-O 3.44Å; V56-W66 HydrophobicContact CG2-CD2 4.08Å; V56-W66 HydrophobicContact CG2-CE3 3.39Å; V56-W66 HydrophobicContact CG2-CH2 3.85Å; V56-W66 HydrophobicContact CG2-CZ2 4.48Å; V56-W66 HydrophobicContact CG2-CZ3 3.21Å; V56-Y113 WeakPolarHBondContact O-CA 3.38Å; V56-Y114 PolarHBondContact N-O 3.03Å; V56-Y114 PolarHBondContact O-N 2.82Å; V56-Y114 VanDerWaalsContact O-O 3.12Å; V56-A116 HydrophobicContact CG2-CB 4.16Å
57	R	97.5	Very high	96.3	Very high	9 Å²	9	64.9 Å²	64.9	3%	0.034	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	146.6	170.7	72	-177.5	-179.1	-178.8	7.7	111.4	L64 E65 V67 N82 D109 A111 M112 Y113	R57-L64 WeakPolarHBondContact O-CA 3.08Å; R57-E65 HydrophobicContact CG-CB 4.05Å; R57-E65 IonicContact CZ-OE2 3.85Å; R57-E65 PolarHBondContact N-O 3.45Å; R57-E65 IonicContact NE-OE2 3.01Å; R57-E65 PolarHBondContact NE-OE2 3.03Å; R57-E65 IonicContact NH2-OE2 2.98Å; R57-E65 PolarHBondContact NH2-OE2 3.01Å; R57-E65 PolarHBondContact O-N 2.83Å; R57-V67 HydrophobicContact CB-CG2 3.7Å; R57-V67 HydrophobicContact CG-CG2 3.51Å; R57-N82 PolarHBondContact NH2-ND2 2.8Å; R57-D109 IonicContact NH1-OD1 3.06Å; R57-D109 PolarHBondContact NH1-OD1 3.37Å; R57-A111 HydrophobicContact CB-CB 3.77Å; R57-A111 HydrophobicContact CG-CB 4.08Å; R57-M112 CarbonylContact C-O 3.58Å; R57-M112 WeakPolarHBondContact CA-O 3.41Å; R57-Y113 HydrophobicContact CB-CD1 3.81Å; R57-Y113 HydrophobicContact CB-CD2 4.42Å; R57-Y113 HydrophobicContact CB-CE1 3.77Å; R57-Y113 HydrophobicContact CB-CE2 4.38Å; R57-Y113 HydrophobicContact CB-CG 4.14Å; R57-Y113 HydrophobicContact CG-CE1 4.42Å; R57-Y113 PolarHBondContact NH1-OH 3.34Å
58	Q	97.5	Very high	96.4	Very high	67 Å²	67	61 Å²	61	31%	0.313	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	113.4	170.4	-170.3	173.2	42.3	0	0	109.2	R63 L64 A111 M112 Y114	Q58-R63 WeakPolarHBondContact CA-O 3.29Å; Q58-L64 HydrophobicContact CB-CD2 3.82Å; Q58-L64 HydrophobicContact CG-CD2 4.05Å; Q58-A111 WeakPolarHBondContact O-CA 3.47Å; Q58-A111 VanDerWaalsContact O-CB 3.28Å; Q58-A111 WeakPolarHBondContact O-CB 3.34Å; Q58-M112 PolarHBondContact N-O 3.49Å; Q58-M112 PolarHBondContact O-N 3.39Å; Q58-Y114 HydrophobicContact CB-CE2 3.93Å
59	T	94.2	Very high	96.5	Very high	14 Å²	14	62.5 Å²	62.5	9%	0.086	31%	0.31	C	S	.	.			trans	-70.7	163.4	177.4	77.6	0	0	0	0	110.8	E61 K62 R63	T59-E61 WeakPolarHBondContact CB-OE2 3.42Å; T59-E61 PolarHBondContact O-N 3.42Å; T59-E61 VanDerWaalsContact O-N 3.12Å; T59-E61 PolarHBondContact OG1-N 2.7Å; T59-E61 PolarHBondContact OG1-OE2 2.94Å; T59-K62 WeakPolarHBondContact O-CA 3.46Å; T59-K62 PolarHBondContact O-N 3.4Å; T59-R63 PolarHBondContact N-O 2.83Å; T59-R63 PolarHBondContact OG1-N 3.22Å
60	P	93.2	Very high	96.6	Very high	93 Å²	93	60.5 Å²	60.5	60%	0.604	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-28.9	174.3	-26.3	36.1	0	0	0	113.5	K62 T110	P60-K62 PolarHBondContact O-N 3.05Å; P60-T110 WeakPolarHBondContact CD-O 3.3Å
61	E	93.1	Very high	96.6	Very high	136 Å²	136	57.7 Å²	57.7	64%	0.636	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	7.2	174.8	-53.1	70.8	-149.4	0	0	113.1	T59 R63	T59-E61 WeakPolarHBondContact CB-OE2 3.42Å; T59-E61 PolarHBondContact O-N 3.42Å; T59-E61 VanDerWaalsContact O-N 3.12Å; T59-E61 PolarHBondContact OG1-N 2.7Å; T59-E61 PolarHBondContact OG1-OE2 2.94Å; E61-R63 PolarHBondContact O-N 2.93Å
62	K	88.9	Confident	96.6	Very high	170 Å²	170	56.9 Å²	56.9	74%	0.739	28%	0.278	S	S	*	.			trans	64.5	17.4	-179.5	-54.6	-178.1	178.2	-179.8	0	114.9	T59 P60	T59-K62 WeakPolarHBondContact O-CA 3.46Å; T59-K62 PolarHBondContact O-N 3.4Å; P60-K62 PolarHBondContact O-N 3.05Å
63	R	92.5	Very high	96.3	Very high	167 Å²	167	57.7 Å²	57.7	63%	0.63	29%	0.29	S	S	*	.			trans	-77.9	132.8	173.7	-64.8	175.6	66.7	96.9	-0.3	109.3	Q58 T59 E61	Q58-R63 WeakPolarHBondContact CA-O 3.29Å; T59-R63 PolarHBondContact N-O 2.83Å; T59-R63 PolarHBondContact OG1-N 3.22Å; E61-R63 PolarHBondContact O-N 2.93Å
64	L	96.2	Very high	96.2	Very high	121 Å²	121	59 Å²	59	63%	0.634	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.1	172.5	-68.4	173	0	0	0	109.5	V56 R57 Q58	V56-L64 HydrophobicContact CG1-CB 4.37Å; V56-L64 HydrophobicContact CG1-CD2 4.06Å; R57-L64 WeakPolarHBondContact O-CA 3.08Å; Q58-L64 HydrophobicContact CB-CD2 3.82Å; Q58-L64 HydrophobicContact CG-CD2 4.05Å
65	E	96.4	Very high	96.1	Very high	54 Å²	54	64 Å²	64	25%	0.252	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.9	-179.8	-62	-175.8	163.7	0	0	110.1	V56 R57	V56-E65 CarbonylContact C-O 3.48Å; V56-E65 WeakPolarHBondContact CA-O 3.44Å; R57-E65 HydrophobicContact CG-CB 4.05Å; R57-E65 IonicContact CZ-OE2 3.85Å; R57-E65 PolarHBondContact N-O 3.45Å; R57-E65 IonicContact NE-OE2 3.01Å; R57-E65 PolarHBondContact NE-OE2 3.03Å; R57-E65 IonicContact NH2-OE2 2.98Å; R57-E65 PolarHBondContact NH2-OE2 3.01Å; R57-E65 PolarHBondContact O-N 2.83Å
66	W	97	Very high	96	Very high	151 Å²	151	70.7 Å²	70.7	57%	0.572	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	130.6	167.5	-68.9	104.9	0	0	0	109.3	V56 P80 A116	V56-W66 HydrophobicContact CG2-CD2 4.08Å; V56-W66 HydrophobicContact CG2-CE3 3.39Å; V56-W66 HydrophobicContact CG2-CH2 3.85Å; V56-W66 HydrophobicContact CG2-CZ2 4.48Å; V56-W66 HydrophobicContact CG2-CZ3 3.21Å; W66-P80 WeakPolarHBondContact O-CG 3.15Å; W66-A116 HydrophobicContact CH2-CB 4.49Å; W66-A116 HydrophobicContact CZ3-CB 4.33Å
67	V	98.3	Very high	96	Very high	2 Å²	2	72.4 Å²	72.4	1%	0.012	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-46.9	-177.2	179	0	0	0	0	111	W55 R57 P80 V83 F87 L100 Y113	W55-V67 HydrophobicContact CB-CB 4.09Å; W55-V67 WeakPolarHBondContact O-CB 3.16Å; W55-V67 PolarHBondContact O-N 2.78Å; R57-V67 HydrophobicContact CB-CG2 3.7Å; R57-V67 HydrophobicContact CG-CG2 3.51Å; V67-P80 WeakPolarHBondContact O-CD 3.4Å; V67-V83 WeakPolarHBondContact O-CG2 3.43Å; V67-F87 HydrophobicContact CG1-CD2 3.56Å; V67-F87 HydrophobicContact CG1-CE2 3.9Å; V67-L100 HydrophobicContact CG1-CD2 3.92Å; V67-Y113 HydrophobicContact CG1-CE1 4.22Å; V67-Y113 HydrophobicContact CG2-CD1 4.26Å; V67-Y113 HydrophobicContact CG2-CE1 3.9Å
68	A	98.7	Very high	96.1	Very high	1 Å²	1	77.4 Å²	77.4	1%	0.008	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	151.4	177.8	0	0	0	0	0	110	S54 W55 Y78 Y79 I89 L100	S54-A68 CarbonylContact C-O 3.5Å; S54-A68 WeakPolarHBondContact CA-O 3.21Å; S54-A68 WeakPolarHBondContact CB-O 3.47Å; W55-A68 PolarHBondContact N-O 2.79Å; W55-A68 PolarHBondContact O-N 2.84Å; A68-Y78 VanDerWaalsContact CA-O 3.29Å; A68-Y78 WeakPolarHBondContact CA-O 3.3Å; A68-Y79 HydrophobicContact CB-CD1 3.68Å; A68-Y79 HydrophobicContact CB-CE1 3.67Å; A68-I89 HydrophobicContact CB-CB 3.78Å; A68-I89 HydrophobicContact CB-CD1 3.98Å; A68-I89 HydrophobicContact CB-CG1 4.44Å; A68-I89 HydrophobicContact CB-CG2 3.93Å; A68-L100 HydrophobicContact CB-CD1 4.22Å
69	T	98.6	Very high	96.1	Very high	34 Å²	34	76.1 Å²	76.1	21%	0.209	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.1	174.5	-60.2	0	0	0	0	109.4	M53 S54 T77 Y78	M53-T69 WeakPolarHBondContact O-CA 3.48Å; S54-T69 WeakPolarHBondContact OG-CB 3.49Å; S54-T69 VanDerWaalsContact OG-CG2 3.3Å; S54-T69 WeakPolarHBondContact OG-CG2 3.18Å; S54-T69 PolarHBondContact OG-OG1 2.79Å; T69-T77 CarbonylContact O-C 3.59Å; T69-T77 WeakPolarHBondContact O-CA 3.34Å; T69-Y78 PolarHBondContact N-O 3.12Å; T69-Y78 PolarHBondContact O-N 2.83Å
70	I	98.8	Very high	96.3	Very high	7 Å²	7	76.7 Å²	76.7	4%	0.036	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134.4	174.4	-171.5	161.2	0	0	0	109.7	A52 M53 Y76 T77 I89 R91 L98	A52-I70 CarbonylContact C-O 3.51Å; A52-I70 VanDerWaalsContact CA-O 3.24Å; A52-I70 WeakPolarHBondContact CA-O 3.4Å; A52-I70 WeakPolarHBondContact CB-O 3.28Å; M53-I70 HydrophobicContact CB-CG2 4.33Å; M53-I70 PolarHBondContact N-O 2.92Å; M53-I70 PolarHBondContact O-N 3.32Å; I70-Y76 WeakPolarHBondContact CA-O 3.3Å; I70-T77 HydrophobicContact CB-CG2 4.11Å; I70-T77 HydrophobicContact CD1-CG2 3.84Å; I70-T77 HydrophobicContact CG1-CG2 3.77Å; I70-I89 HydrophobicContact CB-CD1 4.01Å; I70-I89 HydrophobicContact CB-CG1 4.19Å; I70-I89 HydrophobicContact CB-CG2 3.94Å; I70-I89 HydrophobicContact CG2-CD1 3.67Å; I70-I89 HydrophobicContact CG2-CG1 3.95Å; I70-R91 HydrophobicContact CD1-CB 4.45Å; I70-R91 HydrophobicContact CD1-CG 3.9Å; I70-R91 HydrophobicContact CG1-CG 4.48Å; I70-L98 HydrophobicContact CG2-CD1 3.58Å
71	S	98.3	Very high	96.5	Very high	16 Å²	16	78.9 Å²	78.9	11%	0.112	40%	0.399	C	S	.	.			trans	-60.4	163.7	172.7	50.6	0	0	0	0	112.5	G73 G74 S75 Y76 R91	S71-G73 VanDerWaalsContact C-N 3.34Å; S71-G73 PolarHBondContact O-N 3.49Å; S71-G74 PolarHBondContact O-N 2.99Å; S71-G74 VanDerWaalsContact O-N 3.07Å; S71-G74 PolarHBondContact OG-N 3.27Å; S71-S75 PolarHBondContact OG-N 2.89Å; S71-Y76 PolarHBondContact N-O 3.22Å; S71-Y76 PolarHBondContact OG-N 3.29Å; S71-Y76 PolarHBondContact OG-O 3.13Å; S71-Y76 VanDerWaalsContact OG-O 3.05Å; S71-R91 WeakPolarHBondContact O-CD 3.42Å; S71-R91 PolarHBondContact O-NH1 3.14Å
72	D	96.4	Very high	96.6	Very high	81 Å²	81	76 Å²	76	43%	0.433	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-43.1	178.1	63.5	-60.3	0	0	0	112.9	S49 Y51 R91 N93	S49-D72 WeakPolarHBondContact O-CB 3.49Å; Y51-D72 WeakPolarHBondContact O-CA 3.44Å; D72-R91 PolarHBondContact O-NE 2.75Å; D72-R91 PolarHBondContact O-NH1 2.81Å; D72-N93 PolarHBondContact O-ND2 2.85Å; D72-N93 VanDerWaalsContact O-ND2 3.08Å
73	G	92.8	Very high	97	Very high	57 Å²	57	68 Å²	68	59%	0.588	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-9.1	174.4	0	0	0	0	0	115.1	S71 S75	S71-G73 VanDerWaalsContact C-N 3.34Å; S71-G73 PolarHBondContact O-N 3.49Å; G73-S75 VanDerWaalsContact C-N 3.28Å; G73-S75 PolarHBondContact O-N 2.98Å
74	G	96	Very high	97.2	Very high	29 Å²	29	66.3 Å²	66.3	30%	0.299	35%	0.35	S	S	.	.	S	Bend	trans	76.9	5.3	-177.9	0	0	0	0	0	115.9	S71	S71-G74 PolarHBondContact O-N 2.99Å; S71-G74 VanDerWaalsContact O-N 3.07Å; S71-G74 PolarHBondContact OG-N 3.27Å
75	S	95.6	Very high	97.3	Very high	115 Å²	115	64.2 Å²	64.2	80%	0.804	36%	0.358	S	S	*	.	S	Bend	trans	-73.3	-31.1	-178.5	56.4	0	0	0	0	113.4	S71 G73	S71-S75 PolarHBondContact OG-N 2.89Å; G73-S75 VanDerWaalsContact C-N 3.28Å; G73-S75 PolarHBondContact O-N 2.98Å
76	Y	98.1	Very high	97.3	Very high	140 Å²	140	63.1 Å²	63.1	55%	0.549	35%	0.351	S	S	.	.			trans	-113.6	134.5	176.6	176.8	-98.8	0	0	0	111.3	I70 S71	I70-Y76 WeakPolarHBondContact CA-O 3.3Å; S71-Y76 PolarHBondContact N-O 3.22Å; S71-Y76 PolarHBondContact OG-N 3.29Å; S71-Y76 PolarHBondContact OG-O 3.13Å; S71-Y76 VanDerWaalsContact OG-O 3.05Å
77	T	98.5	Very high	97.4	Very high	57 Å²	57	56 Å²	56	35%	0.35	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	146.9	170.3	58.1	0	0	0	0	110.8	T69 I70 I89	T69-T77 CarbonylContact O-C 3.59Å; T69-T77 WeakPolarHBondContact O-CA 3.34Å; I70-T77 HydrophobicContact CB-CG2 4.11Å; I70-T77 HydrophobicContact CD1-CG2 3.84Å; I70-T77 HydrophobicContact CG1-CG2 3.77Å; T77-I89 HydrophobicContact CG2-CG2 3.8Å
78	Y	98.5	Very high	97.4	Very high	114 Å²	114	59.8 Å²	59.8	45%	0.447	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141	175.9	173.3	-99.1	0	0	0	110.6	A68 T69	A68-Y78 VanDerWaalsContact CA-O 3.29Å; A68-Y78 WeakPolarHBondContact CA-O 3.3Å; T69-Y78 PolarHBondContact N-O 3.12Å; T69-Y78 PolarHBondContact O-N 2.83Å
79	Y	98.5	Very high	97.4	Very high	39 Å²	39	60 Å²	60	15%	0.153	35%	0.349	C	S	.	.			trans	-139	135.4	175.2	-54.7	-88.2	0	0	0	109.6	A68 V83 F87 T88 I89	A68-Y79 HydrophobicContact CB-CD1 3.68Å; A68-Y79 HydrophobicContact CB-CE1 3.67Å; Y79-V83 HydrophobicContact CD1-CG2 4.5Å; Y79-F87 VanDerWaalsContact CE1-O 3.27Å; Y79-F87 WeakPolarHBondContact CE1-O 3.35Å; Y79-T88 WeakPolarHBondContact OH-CA 3.34Å; Y79-I89 HydrophobicContact CE1-CB 4.37Å; Y79-I89 HydrophobicContact CE1-CG2 4Å; Y79-I89 WeakPolarHBondContact OH-CG2 3.34Å; Y79-I89 PolarHBondContact OH-N 3.43Å
80	P	97.5	Very high	97.4	Very high	26 Å²	26	60.9 Å²	60.9	17%	0.169	36%	0.356	C	S	.	.			trans	-68.1	154.1	166	29.8	-31.1	0	0	0	110.9	W66 V67 N82 V83 K84	W66-P80 WeakPolarHBondContact O-CG 3.15Å; V67-P80 WeakPolarHBondContact O-CD 3.4Å; P80-N82 WeakPolarHBondContact CB-OD1 3.48Å; P80-N82 VanDerWaalsContact CG-OD1 3.3Å; P80-N82 WeakPolarHBondContact CG-OD1 3.23Å; P80-N82 PolarHBondContact O-N 2.88Å; P80-N82 VanDerWaalsContact O-N 3.13Å; P80-V83 HydrophobicContact CG-CG2 3.86Å; P80-V83 PolarHBondContact O-N 2.8Å; P80-V83 VanDerWaalsContact O-N 3.15Å; P80-K84 PolarHBondContact O-N 2.78Å
81	D	97.3	Very high	97.4	Very high	139 Å²	139	62.2 Å²	62.2	74%	0.743	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-28	-171.8	-68.1	-32.9	0	0	0	113.9	V83	D81-V83 VanDerWaalsContact C-N 3.29Å; D81-V83 PolarHBondContact O-N 3.07Å
82	N	95.1	Very high	97.4	Very high	76 Å²	76	63.4 Å²	63.4	41%	0.406	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-22.6	-179.5	65.1	-18	0	0	0	114.1	R57 P80 R86	R57-N82 PolarHBondContact NH2-ND2 2.8Å; P80-N82 WeakPolarHBondContact CB-OD1 3.48Å; P80-N82 VanDerWaalsContact CG-OD1 3.3Å; P80-N82 WeakPolarHBondContact CG-OD1 3.23Å; P80-N82 PolarHBondContact O-N 2.88Å; P80-N82 VanDerWaalsContact O-N 3.13Å; N82-R86 PolarHBondContact O-NE 3.42Å; N82-R86 PolarHBondContact O-NH2 2.89Å
83	V	97.6	Very high	97.4	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.006	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-11	178.1	-53.3	0	0	0	0	113.3	V67 Y79 P80 D81 G85 R86 F87	V67-V83 WeakPolarHBondContact O-CG2 3.43Å; Y79-V83 HydrophobicContact CD1-CG2 4.5Å; P80-V83 HydrophobicContact CG-CG2 3.86Å; P80-V83 PolarHBondContact O-N 2.8Å; P80-V83 VanDerWaalsContact O-N 3.15Å; D81-V83 VanDerWaalsContact C-N 3.29Å; D81-V83 PolarHBondContact O-N 3.07Å; V83-G85 PolarHBondContact O-N 3.47Å; V83-R86 WeakPolarHBondContact O-CB 3.4Å; V83-R86 PolarHBondContact O-N 2.79Å; V83-F87 HydrophobicContact CB-CB 4.25Å; V83-F87 HydrophobicContact CB-CD2 3.58Å; V83-F87 HydrophobicContact CB-CE2 3.97Å; V83-F87 HydrophobicContact CB-CG 3.87Å; V83-F87 HydrophobicContact CG1-CD2 3.73Å; V83-F87 HydrophobicContact CG1-CE2 3.61Å; V83-F87 HydrophobicContact CG1-CG 4.44Å; V83-F87 HydrophobicContact CG1-CZ 4.21Å; V83-F87 HydrophobicContact CG2-CB 4.44Å; V83-F87 HydrophobicContact CG2-CD2 4.1Å; V83-F87 HydrophobicContact CG2-CG 4.48Å; V83-F87 PolarHBondContact O-N 2.97Å; V83-F87 VanDerWaalsContact O-N 3.08Å
84	K	97.3	Very high	97.6	Very high	133 Å²	133	64.1 Å²	64.1	58%	0.578	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	131.9	179.3	-167.8	172.1	-174.9	175.4	0	111.1	P80 R86	P80-K84 PolarHBondContact O-N 2.78Å; K84-R86 PolarHBondContact O-N 3.08Å
85	G	97.3	Very high	97.7	Very high	77 Å²	77	69.1 Å²	69.1	79%	0.794	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	-7	-177	0	0	0	0	0	115.3	V83	V83-G85 PolarHBondContact O-N 3.47Å
86	R	97.9	Very high	97.8	Very high	30 Å²	30	66.5 Å²	66.5	11%	0.113	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-37.1	175.7	-62.3	-170	-55.6	111.4	-0.7	112.2	N82 V83 K84 S103 H104 D109	N82-R86 PolarHBondContact O-NE 3.42Å; N82-R86 PolarHBondContact O-NH2 2.89Å; V83-R86 WeakPolarHBondContact O-CB 3.4Å; V83-R86 PolarHBondContact O-N 2.79Å; K84-R86 PolarHBondContact O-N 3.08Å; R86-S103 WeakPolarHBondContact CB-O 3.37Å; R86-S103 PolarHBondContact O-N 3.22Å; R86-H104 HydrophobicContact CG-CB 4.44Å; R86-H104 PolarHBondContact NH1-O 3.42Å; R86-D109 IonicContact CZ-OD1 3.42Å; R86-D109 IonicContact CZ-OD2 3.77Å; R86-D109 IonicContact NH1-OD1 2.67Å; R86-D109 IonicContact NH1-OD2 2.81Å; R86-D109 PolarHBondContact NH1-OD2 3.26Å; R86-D109 IonicContact NH2-OD1 3.3Å; R86-D109 PolarHBondContact NH2-OD1 2.79Å; R86-D109 IonicContact NH2-OD2 3.36Å; R86-D109 PolarHBondContact NH2-OD2 3.38Å
87	F	98.5	Very high	97.8	Very high	3 Å²	3	61.3 Å²	61.3	1%	0.013	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	146.4	-177.7	-64.5	3.9	0	0	0	110.7	V67 Y79 V83 L100 Q101 M102 L105 D109	V67-F87 HydrophobicContact CG1-CD2 3.56Å; V67-F87 HydrophobicContact CG1-CE2 3.9Å; Y79-F87 VanDerWaalsContact CE1-O 3.27Å; Y79-F87 WeakPolarHBondContact CE1-O 3.35Å; V83-F87 HydrophobicContact CB-CB 4.25Å; V83-F87 HydrophobicContact CB-CD2 3.58Å; V83-F87 HydrophobicContact CB-CE2 3.97Å; V83-F87 HydrophobicContact CB-CG 3.87Å; V83-F87 HydrophobicContact CG1-CD2 3.73Å; V83-F87 HydrophobicContact CG1-CE2 3.61Å; V83-F87 HydrophobicContact CG1-CG 4.44Å; V83-F87 HydrophobicContact CG1-CZ 4.21Å; V83-F87 HydrophobicContact CG2-CB 4.44Å; V83-F87 HydrophobicContact CG2-CD2 4.1Å; V83-F87 HydrophobicContact CG2-CG 4.48Å; V83-F87 PolarHBondContact O-N 2.97Å; V83-F87 VanDerWaalsContact O-N 3.08Å; F87-L100 HydrophobicContact CB-CD1 4.25Å; F87-L100 HydrophobicContact CD2-CD2 4.41Å; F87-Q101 CarbonylContact C-O 3.57Å; F87-Q101 VanDerWaalsContact CA-O 3.27Å; F87-Q101 WeakPolarHBondContact CA-O 3.41Å; F87-M102 HydrophobicContact CD1-CB 3.72Å; F87-M102 HydrophobicContact CD1-CG 3.8Å; F87-M102 HydrophobicContact CD2-CG 4.07Å; F87-M102 HydrophobicContact CD2-SD 4.48Å; F87-M102 HydrophobicContact CE1-CB 3.66Å; F87-M102 HydrophobicContact CE1-CG 3.86Å; F87-M102 HydrophobicContact CE1-SD 4.41Å; F87-M102 HydrophobicContact CE2-CG 4.1Å; F87-M102 HydrophobicContact CE2-SD 4.02Å; F87-M102 HydrophobicContact CG-CB 4.36Å; F87-M102 HydrophobicContact CG-CG 3.95Å; F87-M102 HydrophobicContact CZ-CB 4.21Å; F87-M102 HydrophobicContact CZ-CG 4Å; F87-M102 HydrophobicContact CZ-SD 3.99Å; F87-L105 HydrophobicContact CE1-CD2 3.89Å; F87-L105 HydrophobicContact CZ-CD2 3.94Å; F87-D109 HydrophobicContact CZ-CB 4.06Å; F87-D109 WeakPolarHBondContact CZ-OD1 3.21Å
88	T	98.5	Very high	97.8	Very high	80 Å²	80	58.6 Å²	58.6	49%	0.491	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	115	178.5	-56.5	0	0	0	0	109.5	Y79 Q101	Y79-T88 WeakPolarHBondContact OH-CA 3.34Å; T88-Q101 PolarHBondContact N-O 2.8Å; T88-Q101 PolarHBondContact O-N 2.81Å
89	I	98.8	Very high	97.8	Very high	6 Å²	6	55.2 Å²	55.2	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	139.5	171	-167.7	169.6	0	0	0	109.7	A68 I70 T77 Y79 L98 Y99 L100	A68-I89 HydrophobicContact CB-CB 3.78Å; A68-I89 HydrophobicContact CB-CD1 3.98Å; A68-I89 HydrophobicContact CB-CG1 4.44Å; A68-I89 HydrophobicContact CB-CG2 3.93Å; I70-I89 HydrophobicContact CB-CD1 4.01Å; I70-I89 HydrophobicContact CB-CG1 4.19Å; I70-I89 HydrophobicContact CB-CG2 3.94Å; I70-I89 HydrophobicContact CG2-CD1 3.67Å; I70-I89 HydrophobicContact CG2-CG1 3.95Å; T77-I89 HydrophobicContact CG2-CG2 3.8Å; Y79-I89 HydrophobicContact CE1-CB 4.37Å; Y79-I89 HydrophobicContact CE1-CG2 4Å; Y79-I89 WeakPolarHBondContact OH-CG2 3.34Å; Y79-I89 PolarHBondContact OH-N 3.43Å; I89-L98 HydrophobicContact CD1-CD1 4Å; I89-L98 HydrophobicContact CD1-CD2 4.38Å; I89-L98 HydrophobicContact CD1-CG 4.44Å; I89-L98 HydrophobicContact CG1-CD1 4Å; I89-L98 HydrophobicContact CG1-CG 4.46Å; I89-Y99 WeakPolarHBondContact CA-O 3.37Å; I89-L100 HydrophobicContact CB-CD1 4.31Å
90	S	98.5	Very high	97.8	Very high	52 Å²	52	53.4 Å²	53.4	36%	0.364	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	161.9	173.6	53.5	0	0	0	0	110.3	Y99	S90-Y99 PolarHBondContact N-O 2.79Å; S90-Y99 PolarHBondContact O-N 2.81Å
91	R	98.3	Very high	97.9	Very high	35 Å²	35	55.4 Å²	55.4	13%	0.132	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151.5	-177.5	66.2	-176.1	-66	152.2	0.9	111.6	F48 Y51 I70 S71 D72 N93 N97 L98	F48-R91 VanDerWaalsContact CD1-NH2 3.29Å; F48-R91 HydrophobicContact CE1-CB 4.25Å; F48-R91 HydrophobicContact CZ-CB 4.21Å; F48-R91 PolarHBondContact O-NH2 3.33Å; Y51-R91 PolarHBondContact O-NH1 3.08Å; Y51-R91 PolarHBondContact O-NH2 3.01Å; I70-R91 HydrophobicContact CD1-CB 4.45Å; I70-R91 HydrophobicContact CD1-CG 3.9Å; I70-R91 HydrophobicContact CG1-CG 4.48Å; S71-R91 WeakPolarHBondContact O-CD 3.42Å; S71-R91 PolarHBondContact O-NH1 3.14Å; D72-R91 PolarHBondContact O-NE 2.75Å; D72-R91 PolarHBondContact O-NH1 2.81Å; R91-N93 PolarHBondContact NE-OD1 2.83Å; R91-N93 PolarHBondContact NH2-OD1 3.36Å; R91-N97 CarbonylContact C-O 3.52Å; R91-N97 WeakPolarHBondContact CA-O 3.42Å; R91-L98 HydrophobicContact CB-CD1 4.08Å
92	D	98.1	Very high	97.9	Very high	41 Å²	41	49 Å²	49	22%	0.219	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	103.8	171.6	-176.4	-22.7	0	0	0	108.4	A94 K95 N96 N97 Y99	D92-A94 VanDerWaalsContact C-N 3.3Å; D92-A94 PolarHBondContact O-N 3.46Å; D92-A94 WeakPolarHBondContact OD1-CB 3.47Å; D92-A94 PolarHBondContact OD1-N 2.01Å; D92-K95 HydrophobicContact CB-CB 4.31Å; D92-K95 PolarHBondContact O-N 2.87Å; D92-K95 PolarHBondContact OD1-N 3.18Å; D92-K95 VanDerWaalsContact OD1-N 3.14Å; D92-K95 WeakPolarHBondContact OD2-CD 3.43Å; D92-K95 VanDerWaalsContact OD2-CE 3.23Å; D92-K95 WeakPolarHBondContact OD2-CE 3.36Å; D92-K95 WeakPolarHBondContact OD2-CG 3.3Å; D92-K95 IonicContact OD2-NZ 3.27Å; D92-K95 PolarHBondContact OD2-NZ 3.32Å; D92-N96 PolarHBondContact O-N 2.9Å; D92-N97 PolarHBondContact N-O 3.14Å; D92-N97 PolarHBondContact O-N 2.94Å; D92-N97 VanDerWaalsContact O-N 3.08Å; D92-Y99 HydrophobicContact CB-CE2 4.14Å
93	N	97.5	Very high	98.1	Very high	59 Å²	59	46.9 Å²	46.9	32%	0.316	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-23.2	-177.9	-77.8	-14.2	0	0	0	113.2	F48 D72 R91 K95 N96	F48-N93 WeakPolarHBondContact CD1-OD1 3.45Å; F48-N93 VanDerWaalsContact CE1-OD1 3.29Å; F48-N93 WeakPolarHBondContact CE1-OD1 3.24Å; D72-N93 PolarHBondContact O-ND2 2.85Å; D72-N93 VanDerWaalsContact O-ND2 3.08Å; R91-N93 PolarHBondContact NE-OD1 2.83Å; R91-N93 PolarHBondContact NH2-OD1 3.36Å; N93-K95 VanDerWaalsContact C-N 3.34Å; N93-N96 PolarHBondContact O-OD1 2.97Å
94	A	97.2	Very high	98	Very high	95 Å²	95	53 Å²	53	79%	0.785	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-28.7	176.9	0	0	0	0	0	111.5	D92	D92-A94 VanDerWaalsContact C-N 3.3Å; D92-A94 PolarHBondContact O-N 3.46Å; D92-A94 WeakPolarHBondContact OD1-CB 3.47Å; D92-A94 PolarHBondContact OD1-N 2.01Å
95	K	97.4	Very high	98.1	Very high	134 Å²	134	47.3 Å²	47.3	58%	0.583	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-1.9	-179.9	-61.1	-178.2	-164.9	152.4	0	114.3	D92 N93 N97	D92-K95 HydrophobicContact CB-CB 4.31Å; D92-K95 PolarHBondContact O-N 2.87Å; D92-K95 PolarHBondContact OD1-N 3.18Å; D92-K95 VanDerWaalsContact OD1-N 3.14Å; D92-K95 WeakPolarHBondContact OD2-CD 3.43Å; D92-K95 VanDerWaalsContact OD2-CE 3.23Å; D92-K95 WeakPolarHBondContact OD2-CE 3.36Å; D92-K95 WeakPolarHBondContact OD2-CG 3.3Å; D92-K95 IonicContact OD2-NZ 3.27Å; D92-K95 PolarHBondContact OD2-NZ 3.32Å; N93-K95 VanDerWaalsContact C-N 3.34Å; K95-N97 HydrophobicContact CB-CB 4.39Å; K95-N97 PolarHBondContact O-N 3.15Å
96	N	97.6	Very high	98	Very high	59 Å²	59	48.5 Å²	48.5	32%	0.316	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	41.5	-172.3	-55.8	-31.5	0	0	0	113.1	A43 F48 D92 N93	A43-N96 HydrophobicContact CB-CB 4.5Å; A43-N96 WeakPolarHBondContact CB-O 3.15Å; A43-N96 PolarHBondContact N-O 3.28Å; A43-N96 VanDerWaalsContact O-CB 3.24Å; A43-N96 WeakPolarHBondContact O-CB 3.43Å; F48-N96 HydrophobicContact CB-CB 3.88Å; F48-N96 WeakPolarHBondContact CB-OD1 3.45Å; F48-N96 HydrophobicContact CD1-CB 4.32Å; F48-N96 HydrophobicContact CG-CB 4.04Å; D92-N96 PolarHBondContact O-N 2.9Å; N93-N96 PolarHBondContact O-OD1 2.97Å
97	N	98.4	Very high	97.8	Very high	32 Å²	32	51 Å²	51	17%	0.171	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	136.9	-176.7	-77.6	-23.5	0	0	0	112.1	C41 A42 R91 D92 K95 Y99	C41-N97 CarbonylContact O-C 3.6Å; C41-N97 VanDerWaalsContact O-CA 3.31Å; C41-N97 WeakPolarHBondContact O-CA 3.49Å; A42-N97 VanDerWaalsContact CA-OD1 3.24Å; A42-N97 WeakPolarHBondContact CA-OD1 3.28Å; A42-N97 WeakPolarHBondContact CB-OD1 3.02Å; R91-N97 CarbonylContact C-O 3.52Å; R91-N97 WeakPolarHBondContact CA-O 3.42Å; D92-N97 PolarHBondContact N-O 3.14Å; D92-N97 PolarHBondContact O-N 2.94Å; D92-N97 VanDerWaalsContact O-N 3.08Å; K95-N97 HydrophobicContact CB-CB 4.39Å; K95-N97 PolarHBondContact O-N 3.15Å; N97-Y99 HydrophobicContact CB-CE1 4.3Å; N97-Y99 HydrophobicContact CB-CE2 3.82Å; N97-Y99 WeakPolarHBondContact CB-OH 3.29Å; N97-Y99 PolarHBondContact ND2-OH 2.88Å; N97-Y99 VanDerWaalsContact ND2-OH 3.13Å
98	L	98.7	Very high	97.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	140.7	168.7	-170.2	72.1	0	0	0	109.5	S40 C41 F48 M53 W55 I70 I89 R91 C115	S40-L98 CarbonylContact C-O 3.49Å; S40-L98 WeakPolarHBondContact CA-O 3.38Å; C41-L98 HydrophobicContact CB-CB 4.19Å; C41-L98 PolarHBondContact N-O 2.88Å; C41-L98 PolarHBondContact O-N 3.02Å; F48-L98 HydrophobicContact CE2-CB 4.46Å; F48-L98 HydrophobicContact CZ-CB 4.3Å; M53-L98 HydrophobicContact CB-CD1 3.76Å; M53-L98 HydrophobicContact CB-CD2 3.86Å; M53-L98 HydrophobicContact CB-CG 4.37Å; W55-L98 HydrophobicContact CG-CD2 4.38Å; I70-L98 HydrophobicContact CG2-CD1 3.58Å; I89-L98 HydrophobicContact CD1-CD1 4Å; I89-L98 HydrophobicContact CD1-CD2 4.38Å; I89-L98 HydrophobicContact CD1-CG 4.44Å; I89-L98 HydrophobicContact CG1-CD1 4Å; I89-L98 HydrophobicContact CG1-CG 4.46Å; R91-L98 HydrophobicContact CB-CD1 4.08Å; L98-C115 HydrophobicContact CD2-CB 3.92Å
99	Y	98.6	Very high	97.5	Very high	43 Å²	43	52.9 Å²	52.9	17%	0.169	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.9	179.3	-56.5	-75.2	0	0	0	111.2	L39 I89 S90 D92 N97	L39-Y99 VanDerWaalsContact O-CA 3.3Å; L39-Y99 WeakPolarHBondContact O-CA 3.2Å; I89-Y99 WeakPolarHBondContact CA-O 3.37Å; S90-Y99 PolarHBondContact N-O 2.79Å; S90-Y99 PolarHBondContact O-N 2.81Å; D92-Y99 HydrophobicContact CB-CE2 4.14Å; N97-Y99 HydrophobicContact CB-CE1 4.3Å; N97-Y99 HydrophobicContact CB-CE2 3.82Å; N97-Y99 WeakPolarHBondContact CB-OH 3.29Å; N97-Y99 PolarHBondContact ND2-OH 2.88Å; N97-Y99 VanDerWaalsContact ND2-OH 3.13Å
100	L	98.8	Very high	97.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	109.5	168.4	-172	67.5	0	0	0	108.8	K38 L39 W55 V67 A68 F87 I89 M102 Y113	K38-L100 WeakPolarHBondContact CA-O 3.36Å; L39-L100 HydrophobicContact CB-CB 4.19Å; L39-L100 HydrophobicContact CD1-CD2 4.18Å; L39-L100 PolarHBondContact N-O 2.93Å; L39-L100 PolarHBondContact O-N 3.48Å; W55-L100 HydrophobicContact CB-CD2 4.23Å; W55-L100 HydrophobicContact CD2-CB 4.19Å; W55-L100 HydrophobicContact CD2-CD2 4.36Å; W55-L100 HydrophobicContact CG-CB 4.13Å; W55-L100 HydrophobicContact CG-CD2 4.05Å; W55-L100 HydrophobicContact CG-CG 4.48Å; W55-L100 HydrophobicContact CZ2-CB 4.46Å; V67-L100 HydrophobicContact CG1-CD2 3.92Å; A68-L100 HydrophobicContact CB-CD1 4.22Å; F87-L100 HydrophobicContact CB-CD1 4.25Å; F87-L100 HydrophobicContact CD2-CD2 4.41Å; I89-L100 HydrophobicContact CB-CD1 4.31Å; L100-M102 HydrophobicContact CD2-CG 3.92Å; L100-M102 HydrophobicContact CD2-SD 3.79Å; L100-M102 HydrophobicContact CG-CG 3.85Å; L100-M102 HydrophobicContact CG-SD 4.35Å; L100-Y113 HydrophobicContact CD2-CD1 4.09Å; L100-Y113 HydrophobicContact CD2-CE1 4.16Å
101	Q	98.4	Very high	97.2	Very high	69 Å²	69	56.1 Å²	56.1	32%	0.322	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	124.5	169.5	-177.2	60.8	46.3	0	0	108.2	L37 F87 T88	L37-Q101 PolarHBondContact O-NE2 3.48Å; F87-Q101 CarbonylContact C-O 3.57Å; F87-Q101 VanDerWaalsContact CA-O 3.27Å; F87-Q101 WeakPolarHBondContact CA-O 3.41Å; T88-Q101 PolarHBondContact N-O 2.8Å; T88-Q101 PolarHBondContact O-N 2.81Å
102	M	98.4	Very high	97.2	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.02	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128	-179.8	-59	179.7	-65.3	0	0	108.9	S36 L37 L39 F87 L100 L105 Y113	S36-M102 CarbonylContact C-O 3.51Å; S36-M102 WeakPolarHBondContact CA-O 3.31Å; S36-M102 VanDerWaalsContact CB-O 3.23Å; S36-M102 WeakPolarHBondContact CB-O 3.49Å; L37-M102 HydrophobicContact CB-CE 3.54Å; L37-M102 HydrophobicContact CD1-CE 4.2Å; L37-M102 PolarHBondContact N-O 3.25Å; L37-M102 PolarHBondContact O-N 2.87Å; L39-M102 HydrophobicContact CD1-CE 3.9Å; L39-M102 HydrophobicContact CD1-SD 4.34Å; L39-M102 HydrophobicContact CD2-CE 3.87Å; L39-M102 HydrophobicContact CG-CE 3.61Å; F87-M102 HydrophobicContact CD1-CB 3.72Å; F87-M102 HydrophobicContact CD1-CG 3.8Å; F87-M102 HydrophobicContact CD2-CG 4.07Å; F87-M102 HydrophobicContact CD2-SD 4.48Å; F87-M102 HydrophobicContact CE1-CB 3.66Å; F87-M102 HydrophobicContact CE1-CG 3.86Å; F87-M102 HydrophobicContact CE1-SD 4.41Å; F87-M102 HydrophobicContact CE2-CG 4.1Å; F87-M102 HydrophobicContact CE2-SD 4.02Å; F87-M102 HydrophobicContact CG-CB 4.36Å; F87-M102 HydrophobicContact CG-CG 3.95Å; F87-M102 HydrophobicContact CZ-CB 4.21Å; F87-M102 HydrophobicContact CZ-CG 4Å; F87-M102 HydrophobicContact CZ-SD 3.99Å; L100-M102 HydrophobicContact CD2-CG 3.92Å; L100-M102 HydrophobicContact CD2-SD 3.79Å; L100-M102 HydrophobicContact CG-CG 3.85Å; L100-M102 HydrophobicContact CG-SD 4.35Å; M102-L105 HydrophobicContact CB-CD1 4.41Å; M102-L105 HydrophobicContact CB-CD2 3.93Å; M102-L105 HydrophobicContact CB-CG 4.24Å; M102-L105 HydrophobicContact SD-CD2 4.32Å; M102-Y113 HydrophobicContact SD-CE1 4.09Å
103	S	97.5	Very high	97.2	Very high	32 Å²	32	59.1 Å²	59.1	22%	0.224	32%	0.317	C	S	.	.			trans	-129.6	158.8	177.5	-67.5	0	0	0	0	110.7	S36 R86 L105	S36-S103 WeakPolarHBondContact OG-CA 3.14Å; S36-S103 PolarHBondContact OG-OG 3.39Å; R86-S103 WeakPolarHBondContact CB-O 3.37Å; R86-S103 PolarHBondContact O-N 3.22Å; S103-L105 VanDerWaalsContact C-N 3.27Å; S103-L105 PolarHBondContact O-N 2.84Å
104	H	97.4	Very high	97.2	Very high	128 Å²	128	60.7 Å²	60.7	59%	0.593	32%	0.319	S	S	*	.	S	Bend	trans	51.1	49	-177.3	-53.6	-77.7	0	0	0	112	G35 R86	G35-H104 PolarHBondContact O-N 2.73Å; R86-H104 HydrophobicContact CG-CB 4.44Å; R86-H104 PolarHBondContact NH1-O 3.42Å
105	L	97.6	Very high	97.2	Very high	14 Å²	14	56.5 Å²	56.5	7%	0.073	28%	0.284	C	S	.	.			trans	-62.2	138.2	-177.5	-79.4	163.6	0	0	0	111.3	V31 G34 G35 L37 F87 M102 S103 D109	V31-L105 HydrophobicContact CG2-CD1 3.51Å; G34-L105 PolarHBondContact N-O 3.45Å; G35-L105 PolarHBondContact O-N 3.15Å; G35-L105 VanDerWaalsContact O-N 3.14Å; L37-L105 HydrophobicContact CB-CD1 3.96Å; L37-L105 HydrophobicContact CD1-CD1 3.83Å; L37-L105 HydrophobicContact CG-CD1 3.83Å; F87-L105 HydrophobicContact CE1-CD2 3.89Å; F87-L105 HydrophobicContact CZ-CD2 3.94Å; M102-L105 HydrophobicContact CB-CD1 4.41Å; M102-L105 HydrophobicContact CB-CD2 3.93Å; M102-L105 HydrophobicContact CB-CG 4.24Å; M102-L105 HydrophobicContact SD-CD2 4.32Å; S103-L105 VanDerWaalsContact C-N 3.27Å; S103-L105 PolarHBondContact O-N 2.84Å; L105-D109 HydrophobicContact CD2-CB 3.67Å
106	K	96.1	Very high	97.2	Very high	103 Å²	103	51.2 Å²	51.2	45%	0.448	27%	0.266	S	S	.	.			trans	-109.6	165.7	177	-56.8	178.2	-178.2	178.9	0	110.2	E108 D109	K106-E108 WeakPolarHBondContact CB-OE2 3.34Å; K106-E108 VanDerWaalsContact CD-OE2 3.27Å; K106-E108 WeakPolarHBondContact CD-OE2 3.39Å; K106-E108 PolarHBondContact O-N 3.42Å; K106-D109 PolarHBondContact N-OD2 3.37Å; K106-D109 WeakPolarHBondContact O-CB 2.96Å; K106-D109 PolarHBondContact O-N 3.18Å
107	S	93.9	Very high	97	Very high	81 Å²	81	54.8 Å²	54.8	57%	0.566	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-52.1	-41.3	170.7	23.1	0	0	0	0	111.9	D109 T110	S107-D109 PolarHBondContact O-N 3.49Å; S107-D109 VanDerWaalsContact O-N 3.16Å; S107-T110 VanDerWaalsContact O-CB 3.32Å; S107-T110 WeakPolarHBondContact O-CB 3.47Å; S107-T110 PolarHBondContact O-N 3.19Å; S107-T110 VanDerWaalsContact O-N 3.13Å; S107-T110 PolarHBondContact O-OG1 3.32Å
108	E	93.9	Very high	97	Very high	116 Å²	116	55.9 Å²	55.9	54%	0.542	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-66.7	-12.7	-179.2	-50.2	78.8	-117.9	0	0	113.9	K106 T110	K106-E108 WeakPolarHBondContact CB-OE2 3.34Å; K106-E108 VanDerWaalsContact CD-OE2 3.27Å; K106-E108 WeakPolarHBondContact CD-OE2 3.39Å; K106-E108 PolarHBondContact O-N 3.42Å; E108-T110 VanDerWaalsContact C-N 3.28Å
109	D	96	Very high	96.9	Very high	8 Å²	8	58.8 Å²	58.8	4%	0.043	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-85.9	-3	176.6	-59.9	-48.2	0	0	0	113	R57 R86 F87 L105 K106 S107 A111 Y113	R57-D109 IonicContact NH1-OD1 3.06Å; R57-D109 PolarHBondContact NH1-OD1 3.37Å; R86-D109 IonicContact CZ-OD1 3.42Å; R86-D109 IonicContact CZ-OD2 3.77Å; R86-D109 IonicContact NH1-OD1 2.67Å; R86-D109 IonicContact NH1-OD2 2.81Å; R86-D109 PolarHBondContact NH1-OD2 3.26Å; R86-D109 IonicContact NH2-OD1 3.3Å; R86-D109 PolarHBondContact NH2-OD1 2.79Å; R86-D109 IonicContact NH2-OD2 3.36Å; R86-D109 PolarHBondContact NH2-OD2 3.38Å; F87-D109 HydrophobicContact CZ-CB 4.06Å; F87-D109 WeakPolarHBondContact CZ-OD1 3.21Å; L105-D109 HydrophobicContact CD2-CB 3.67Å; K106-D109 PolarHBondContact N-OD2 3.37Å; K106-D109 WeakPolarHBondContact O-CB 2.96Å; K106-D109 PolarHBondContact O-N 3.18Å; S107-D109 PolarHBondContact O-N 3.49Å; S107-D109 VanDerWaalsContact O-N 3.16Å; D109-A111 PolarHBondContact O-N 3.3Å; D109-A111 VanDerWaalsContact O-N 3.16Å; D109-Y113 WeakPolarHBondContact O-CE2 3.24Å; D109-Y113 PolarHBondContact O-OH 3.25Å
110	T	95.6	Very high	96.8	Very high	99 Å²	99	59.7 Å²	59.7	61%	0.607	30%	0.301	S	S	*	.			trans	-68.1	109.1	175.3	-52.8	0	0	0	0	109.7	P60 S107 E108	P60-T110 WeakPolarHBondContact CD-O 3.3Å; S107-T110 VanDerWaalsContact O-CB 3.32Å; S107-T110 WeakPolarHBondContact O-CB 3.47Å; S107-T110 PolarHBondContact O-N 3.19Å; S107-T110 VanDerWaalsContact O-N 3.13Å; S107-T110 PolarHBondContact O-OG1 3.32Å; E108-T110 VanDerWaalsContact C-N 3.28Å
111	A	96.7	Very high	96.7	Very high	27 Å²	27	63.2 Å²	63.2	22%	0.223	32%	0.319	C	S	.	.	S	Bend	trans	-161.1	166.6	-178.1	0	0	0	0	0	110	R57 Q58 D109 Y113	R57-A111 HydrophobicContact CB-CB 3.77Å; R57-A111 HydrophobicContact CG-CB 4.08Å; Q58-A111 WeakPolarHBondContact O-CA 3.47Å; Q58-A111 VanDerWaalsContact O-CB 3.28Å; Q58-A111 WeakPolarHBondContact O-CB 3.34Å; D109-A111 PolarHBondContact O-N 3.3Å; D109-A111 VanDerWaalsContact O-N 3.16Å; A111-Y113 HydrophobicContact CB-CD2 4.35Å; A111-Y113 HydrophobicContact CB-CE2 3.86Å; A111-Y113 VanDerWaalsContact O-CD2 3.3Å; A111-Y113 WeakPolarHBondContact O-CD2 3.39Å; A111-Y113 WeakPolarHBondContact O-CE2 3.48Å
112	M	97	Very high	96.6	Very high	114 Å²	114	62.9 Å²	62.9	56%	0.562	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	134.7	161.8	-164.6	59.4	65.8	0	0	108.9	R57 Q58 Y114	R57-M112 CarbonylContact C-O 3.58Å; R57-M112 WeakPolarHBondContact CA-O 3.41Å; Q58-M112 PolarHBondContact N-O 3.49Å; Q58-M112 PolarHBondContact O-N 3.39Å; M112-Y114 HydrophobicContact CB-CE2 3.84Å; M112-Y114 HydrophobicContact CG-CE1 3.93Å; M112-Y114 HydrophobicContact CG-CE2 3.66Å; M112-Y114 WeakPolarHBondContact CG-OH 3.41Å
113	Y	98.2	Very high	96.4	Very high	24 Å²	24	66.8 Å²	66.8	9%	0.094	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.7	-177.7	-73.5	-103.2	0	0	0	110.1	L39 V56 R57 V67 L100 M102 D109 A111	L39-Y113 VanDerWaalsContact CD1-CB 3.41Å; L39-Y113 HydrophobicContact CD1-CD1 3.82Å; L39-Y113 HydrophobicContact CD1-CD2 4.14Å; L39-Y113 HydrophobicContact CD1-CG 3.53Å; V56-Y113 WeakPolarHBondContact O-CA 3.38Å; R57-Y113 HydrophobicContact CB-CD1 3.81Å; R57-Y113 HydrophobicContact CB-CD2 4.42Å; R57-Y113 HydrophobicContact CB-CE1 3.77Å; R57-Y113 HydrophobicContact CB-CE2 4.38Å; R57-Y113 HydrophobicContact CB-CG 4.14Å; R57-Y113 HydrophobicContact CG-CE1 4.42Å; R57-Y113 PolarHBondContact NH1-OH 3.34Å; V67-Y113 HydrophobicContact CG1-CE1 4.22Å; V67-Y113 HydrophobicContact CG2-CD1 4.26Å; V67-Y113 HydrophobicContact CG2-CE1 3.9Å; L100-Y113 HydrophobicContact CD2-CD1 4.09Å; L100-Y113 HydrophobicContact CD2-CE1 4.16Å; M102-Y113 HydrophobicContact SD-CE1 4.09Å; D109-Y113 WeakPolarHBondContact O-CE2 3.24Å; D109-Y113 PolarHBondContact O-OH 3.25Å; A111-Y113 HydrophobicContact CB-CD2 4.35Å; A111-Y113 HydrophobicContact CB-CE2 3.86Å; A111-Y113 VanDerWaalsContact O-CD2 3.3Å; A111-Y113 WeakPolarHBondContact O-CD2 3.39Å; A111-Y113 WeakPolarHBondContact O-CE2 3.48Å
114	Y	98.1	Very high	96.4	Very high	92 Å²	92	69.3 Å²	69.3	36%	0.361	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.2	-178.2	-56	-80.1	0	0	0	109.1	E25 W55 V56 Q58 M112	E25-Y114 WeakPolarHBondContact OE1-CA 3.24Å; W55-Y114 CarbonylContact C-O 3.51Å; W55-Y114 WeakPolarHBondContact CA-O 3.32Å; V56-Y114 PolarHBondContact N-O 3.03Å; V56-Y114 PolarHBondContact O-N 2.82Å; V56-Y114 VanDerWaalsContact O-O 3.12Å; Q58-Y114 HydrophobicContact CB-CE2 3.93Å; M112-Y114 HydrophobicContact CB-CE2 3.84Å; M112-Y114 HydrophobicContact CG-CE1 3.93Å; M112-Y114 HydrophobicContact CG-CE2 3.66Å; M112-Y114 WeakPolarHBondContact CG-OH 3.41Å
115	C	98.1	Very high	96.3	Very high	7 Å²	7	64.8 Å²	64.8	5%	0.047	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	146.9	166.1	55.4	0	0	0	0	109.6	L23 E25 C41 S54 W55 L98	L23-C115 WeakPolarHBondContact CD1-O 3.36Å; E25-C115 PolarHBondContact OE1-N 3.36Å; E25-C115 PolarHBondContact OE1-SG 3.05Å; C41-C115 HydrophobicContact CB-CB 3.45Å; C41-C115 VanDerWaalsContact CB-CB 3.45Å; C41-C115 WeakPolarHBondContact CB-SG 3.24Å; C41-C115 WeakPolarHBondContact SG-CB 3.36Å; C41-C115 CovalentContact SG-SG 2.01Å; C41-C115 PolarHBondContact SG-SG 2.71Å; S54-C115 CarbonylContact O-C 3.56Å; S54-C115 VanDerWaalsContact O-CA 3.28Å; S54-C115 WeakPolarHBondContact O-CA 3.49Å; W55-C115 HydrophobicContact CD2-CB 4.46Å; W55-C115 HydrophobicContact CE3-CB 4.38Å; W55-C115 HydrophobicContact CH2-CB 4.39Å; W55-C115 HydrophobicContact CZ2-CB 4.46Å; W55-C115 HydrophobicContact CZ3-CB 4.35Å; L98-C115 HydrophobicContact CD2-CB 3.92Å
116	A	97.5	Very high	96.2	Very high	24 Å²	24	69 Å²	69	20%	0.198	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	144.4	-179.7	0	0	0	0	0	109.8	M53 S54 V56 W66	M53-A116 CarbonylContact C-O 3.44Å; M53-A116 WeakPolarHBondContact CA-O 3.41Å; M53-A116 WeakPolarHBondContact CE-O 3.28Å; S54-A116 PolarHBondContact N-O 3.44Å; S54-A116 PolarHBondContact O-N 2.88Å; V56-A116 HydrophobicContact CG2-CB 4.16Å; W66-A116 HydrophobicContact CH2-CB 4.49Å; W66-A116 HydrophobicContact CZ3-CB 4.33Å
117	R	93.4	Very high	96.2	Very high	133 Å²	133	65.9 Å²	65.9	50%	0.502	34%	0.341	S	S	.	.			trans	-97.6	0	169.8	-178	-178.8	72.8	179	-5.9	109.5	F46 Y51 M53	F46-R117 VanDerWaalsContact CD2-NH1 3.27Å; F46-R117 HydrophobicContact CE2-CG 4.18Å; Y51-R117 HydrophobicContact CD1-CG 3.65Å; Y51-R117 HydrophobicContact CD2-CG 4.48Å; Y51-R117 HydrophobicContact CE1-CG 4.45Å; Y51-R117 VanDerWaalsContact CG-CD 3.43Å; Y51-R117 HydrophobicContact CG-CG 3.67Å; M53-R117 HydrophobicContact CE-CB 4.12Å; M53-R117 HydrophobicContact SD-CB 3.75Å; M53-R117 HydrophobicContact SD-CG 3.94Å

Retrieved 117 of 117 residues in 81.1 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).