A0A075B5T2_MOUSE Loading...

Immunoglobulin heavy variable 6-3

AlphaFold DB , UniProt , Accession A0A075B5T2, Species MOUSE (Mus musculus, Mouse), Gene Ighv6-3, Length 118 aa.

						>A0A075B5T2_MOUSE|A0A075B5T2|Ighv6-3
MDLRLSCAFIIVLLKGVQSEVKLEESGGGLVQPGGSMKLSCVASGFTFSNYWMNWVRQSPEKGLEWVAQIRLKSDNYATHYAESVKGRFTISRDDSKSSVYLQMNNLRAEDTGIYYCT
					

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(Predicted Aligned Error values between residue pairs)

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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	51.6	Low	61	Low	225 Å²	225	125.5 Å²	125.5	100%	1.108	65%	0.645	S	S	*	*				0	101.8	0	-162.9	162.6	74.6	0	0	106.1	L3	M1-L3 PolarHBondContact O-N 3.32Å
2	D	60.3	Low	61.4	Low	114 Å²	114	123.8 Å²	123.8	61%	0.61	64%	0.644	S	S	*	*			trans	-62.9	126.8	-170.8	-95.9	-51	0	0	0	111.1	R4 L5 S6	D2-R4 PolarHBondContact O-N 3.05Å; D2-L5 HydrophobicContact CB-CD1 3.77Å; D2-L5 WeakPolarHBondContact O-CB 3.45Å; D2-L5 PolarHBondContact O-N 3.17Å; D2-S6 PolarHBondContact O-N 2.79Å
3	L	60	Low	61.5	Low	143 Å²	143	124.2 Å²	124.2	75%	0.749	65%	0.647	S	S	*	*	H	α-helix	trans	-55.1	-28.9	176.9	-134.8	81.6	0	0	0	111.5	M1 S6 C7	M1-L3 PolarHBondContact O-N 3.32Å; L3-S6 WeakPolarHBondContact O-CB 3.45Å; L3-S6 PolarHBondContact O-N 3.02Å; L3-C7 PolarHBondContact O-N 2.86Å
4	R	61.6	Low	61.5	Low	217 Å²	217	125.6 Å²	125.6	82%	0.819	65%	0.654	S	S	*	*	H	α-helix	trans	-63.9	-41	174	-65.6	-166.5	178.4	-157.1	1.2	112.9	D2 S6 A8	D2-R4 PolarHBondContact O-N 3.05Å; R4-S6 VanDerWaalsContact C-N 3.33Å; R4-A8 PolarHBondContact O-N 3.47Å
5	L	61.4	Low	61.4	Low	113 Å²	113	128.9 Å²	128.9	59%	0.592	66%	0.661	S	S	*	*	H	α-helix	trans	-67.6	-36.3	174	-91.4	100.4	0	0	0	111.3	D2 A8 F9	D2-L5 HydrophobicContact CB-CD1 3.77Å; D2-L5 WeakPolarHBondContact O-CB 3.45Å; D2-L5 PolarHBondContact O-N 3.17Å; L5-A8 PolarHBondContact O-N 2.99Å; L5-F9 PolarHBondContact O-N 3.11Å
6	S	65.1	Low	61.5	Low	64 Å²	64	124.6 Å²	124.6	45%	0.448	66%	0.659	S	S	.	*	H	α-helix	trans	-65.9	-39.9	178.4	-162.5	0	0	0	0	112.7	D2 L3 R4 I10	D2-S6 PolarHBondContact O-N 2.79Å; L3-S6 WeakPolarHBondContact O-CB 3.45Å; L3-S6 PolarHBondContact O-N 3.02Å; R4-S6 VanDerWaalsContact C-N 3.33Å; S6-I10 PolarHBondContact O-N 2.91Å
7	C	61.5	Low	61.8	Low	75 Å²	75	125.5 Å²	125.5	51%	0.507	67%	0.67	S	S	.	*	H	α-helix	trans	-69.3	-41.5	175.8	-72.6	0	0	0	0	112.3	L3 F9 I10 I11	L3-C7 PolarHBondContact O-N 2.86Å; C7-F9 VanDerWaalsContact C-N 3.29Å; C7-F9 PolarHBondContact O-N 2.92Å; C7-I10 PolarHBondContact O-N 2.8Å; C7-I11 WeakPolarHBondContact O-CG1 3.36Å; C7-I11 PolarHBondContact O-N 2.87Å; C7-I11 VanDerWaalsContact O-N 3.13Å
8	A	60.7	Low	61.7	Low	54 Å²	54	128.9 Å²	128.9	45%	0.446	68%	0.681	S	S	.	*	H	α-helix	trans	-61.1	-38.8	176.2	0	0	0	0	0	111.8	R4 L5 I10 I11 V12	R4-A8 PolarHBondContact O-N 3.47Å; L5-A8 PolarHBondContact O-N 2.99Å; A8-I10 PolarHBondContact O-N 3.33Å; A8-I11 PolarHBondContact O-N 2.96Å; A8-V12 WeakPolarHBondContact O-CG2 3.47Å; A8-V12 PolarHBondContact O-N 3.26Å
9	F	63.1	Low	62.3	Low	151 Å²	151	126.3 Å²	126.3	66%	0.662	68%	0.675	S	S	*	*	H	α-helix	trans	-61.6	-41.2	175.1	-117.5	-92.4	0	0	0	112.8	L5 C7 V12 L13	L5-F9 PolarHBondContact O-N 3.11Å; C7-F9 VanDerWaalsContact C-N 3.29Å; C7-F9 PolarHBondContact O-N 2.92Å; F9-V12 PolarHBondContact O-N 2.67Å; F9-L13 WeakPolarHBondContact O-CG 3.43Å; F9-L13 PolarHBondContact O-N 3.1Å
10	I	63	Low	63.7	Low	102 Å²	102	128.5 Å²	128.5	52%	0.523	68%	0.681	S	S	.	*	H	α-helix	trans	-68.2	-38.7	178.3	-87.7	-74.2	0	0	0	112.5	S6 C7 A8 V12 L13	S6-I10 PolarHBondContact O-N 2.91Å; C7-I10 PolarHBondContact O-N 2.8Å; A8-I10 PolarHBondContact O-N 3.33Å; I10-V12 VanDerWaalsContact C-N 3.26Å; I10-V12 PolarHBondContact O-N 3.17Å; I10-L13 PolarHBondContact O-N 2.97Å
11	I	63	Low	65.2	Low	123 Å²	123	126.7 Å²	126.7	63%	0.631	68%	0.675	S	S	*	*	H	α-helix	trans	-65.7	-31.9	-180	-65.7	167.9	0	0	0	111.3	C7 A8	C7-I11 WeakPolarHBondContact O-CG1 3.36Å; C7-I11 PolarHBondContact O-N 2.87Å; C7-I11 VanDerWaalsContact O-N 3.13Å; A8-I11 PolarHBondContact O-N 2.96Å
12	V	65.3	Low	67.3	Low	105 Å²	105	120.7 Å²	120.7	64%	0.636	64%	0.642	S	S	*	*	H	α-helix	trans	-72.7	-32.6	177.9	178.2	0	0	0	0	112.1	A8 F9 I10 L14 K15	A8-V12 WeakPolarHBondContact O-CG2 3.47Å; A8-V12 PolarHBondContact O-N 3.26Å; F9-V12 PolarHBondContact O-N 2.67Å; I10-V12 VanDerWaalsContact C-N 3.26Å; I10-V12 PolarHBondContact O-N 3.17Å; V12-L14 VanDerWaalsContact C-N 3.3Å; V12-L14 PolarHBondContact O-N 3.28Å; V12-K15 PolarHBondContact O-N 2.8Å
13	L	63.4	Low	69.1	Low	129 Å²	129	117.6 Å²	117.6	68%	0.675	63%	0.626	S	S	*	*	H	α-helix	trans	-73.9	-17.2	-178	-67.7	171.5	0	0	0	114.1	F9 I10	F9-L13 WeakPolarHBondContact O-CG 3.43Å; F9-L13 PolarHBondContact O-N 3.1Å; I10-L13 PolarHBondContact O-N 2.97Å
14	L	61.4	Low	71	Confident	144 Å²	144	114.9 Å²	114.9	75%	0.754	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	13.7	178.1	-71.9	170.4	0	0	0	113.9	V12 G16	V12-L14 VanDerWaalsContact C-N 3.3Å; V12-L14 PolarHBondContact O-N 3.28Å; L14-G16 PolarHBondContact O-N 2.8Å
15	K	60	Low	72.7	Confident	174 Å²	174	108 Å²	108	76%	0.757	59%	0.586	S	S	*	*			trans	-71.6	77.2	161.9	-63.5	-141.7	-176.9	-170	0	108.4	V12 V17	V12-K15 PolarHBondContact O-N 2.8Å; K15-V17 PolarHBondContact O-N 3.02Å; K15-V17 VanDerWaalsContact O-N 3.08Å
16	G	62.9	Low	74.5	Confident	61 Å²	61	105.8 Å²	105.8	63%	0.629	58%	0.58	S	S	*	*			trans	-52.4	117.6	169.5	0	0	0	0	0	108.2	L14 Q18	L14-G16 PolarHBondContact O-N 2.8Å; G16-Q18 PolarHBondContact O-N 2.95Å
17	V	67.1	Low	75.9	Confident	139 Å²	139	104.8 Å²	104.8	84%	0.842	58%	0.58	S	S	*	*			trans	-71.4	87.3	173	-177.7	0	0	0	0	106.1	K15 S19	K15-V17 PolarHBondContact O-N 3.02Å; K15-V17 VanDerWaalsContact O-N 3.08Å; V17-S19 PolarHBondContact O-N 2.84Å
18	Q	59.1	Low	77.4	Confident	187 Å²	187	104 Å²	104	87%	0.874	58%	0.584	S	S	*	*			trans	-73.9	102	162	-66.8	-169.3	37.7	0	0	105.5	G16 E20	G16-Q18 PolarHBondContact O-N 2.95Å; Q18-E20 PolarHBondContact O-N 3.14Å; Q18-E20 VanDerWaalsContact O-N 3.14Å
19	S	73.2	Confident	79	Confident	80 Å²	80	104.2 Å²	104.2	56%	0.559	59%	0.592	S	S	*	*			trans	-71.8	108	170.6	-156.1	0	0	0	0	106.9	V17 G45	V17-S19 PolarHBondContact O-N 2.84Å; S19-G45 WeakPolarHBondContact OG-CA 3.47Å
20	E	90.4	Very high	80.4	Confident	170 Å²	170	105.6 Å²	105.6	79%	0.794	61%	0.605	S	S	*	*			trans	-63.5	138.8	172.2	-173.3	174.7	-173.7	0	0	109.4	Q18 K22 G45	Q18-E20 PolarHBondContact O-N 3.14Å; Q18-E20 VanDerWaalsContact O-N 3.14Å; E20-K22 PolarHBondContact O-N 2.92Å; E20-G45 WeakPolarHBondContact O-CA 3.38Å
21	V	94.4	Very high	81.9	Confident	91 Å²	91	104 Å²	104	55%	0.552	60%	0.6	S	S	*	*			trans	-70.7	126.8	173.6	171.6	0	0	0	0	108.4	S44 F46	V21-S44 WeakPolarHBondContact CA-O 3.35Å; V21-F46 HydrophobicContact CG1-CD1 3.82Å; V21-F46 HydrophobicContact CG1-CE1 4Å; V21-F46 HydrophobicContact CG2-CB 4.42Å; V21-F46 HydrophobicContact CG2-CD1 4.25Å
22	K	97	Very high	83.3	Confident	99 Å²	99	106 Å²	106	43%	0.43	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.2	136.7	-179.6	-164.8	-173.6	-176.9	-158.7	0	110.8	E20 E24 A43 S44	E20-K22 PolarHBondContact O-N 2.92Å; K22-E24 HydrophobicContact CD-CG 3.86Å; K22-E24 WeakPolarHBondContact CD-OE2 3.38Å; K22-E24 VanDerWaalsContact CE-CG 3.47Å; K22-E24 VanDerWaalsContact CE-OE1 3.28Å; K22-E24 WeakPolarHBondContact CE-OE1 3.15Å; K22-E24 WeakPolarHBondContact CE-OE2 3.46Å; K22-E24 HydrophobicContact CG-CG 3.91Å; K22-E24 IonicContact NZ-OE1 2.65Å; K22-E24 PolarHBondContact NZ-OE1 3.41Å; K22-E24 IonicContact NZ-OE2 2.85Å; K22-E24 PolarHBondContact NZ-OE2 3Å; K22-A43 CarbonylContact O-C 3.57Å; K22-A43 WeakPolarHBondContact O-CA 3.43Å; K22-S44 PolarHBondContact N-O 3.41Å; K22-S44 PolarHBondContact O-N 3.25Å
23	L	98.3	Very high	84.7	Confident	49 Å²	49	106.3 Å²	106.3	26%	0.257	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.3	123	174.9	-64.5	-177.1	0	0	0	107	A43 F46 M53 C117	L23-A43 HydrophobicContact CD2-CB 3.61Å; L23-F46 HydrophobicContact CD2-CE1 4.06Å; L23-F46 HydrophobicContact CD2-CZ 4.23Å; L23-M53 HydrophobicContact CD2-CE 4.23Å; L23-C117 WeakPolarHBondContact CD1-O 3.06Å
24	E	98.2	Very high	86.2	Confident	86 Å²	86	102.3 Å²	102.3	40%	0.402	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121	95.9	-173.6	-62.3	-171.1	86.6	0	0	111	K22 C41 V42	K22-E24 HydrophobicContact CD-CG 3.86Å; K22-E24 WeakPolarHBondContact CD-OE2 3.38Å; K22-E24 VanDerWaalsContact CE-CG 3.47Å; K22-E24 VanDerWaalsContact CE-OE1 3.28Å; K22-E24 WeakPolarHBondContact CE-OE1 3.15Å; K22-E24 WeakPolarHBondContact CE-OE2 3.46Å; K22-E24 HydrophobicContact CG-CG 3.91Å; K22-E24 IonicContact NZ-OE1 2.65Å; K22-E24 PolarHBondContact NZ-OE1 3.41Å; K22-E24 IonicContact NZ-OE2 2.85Å; K22-E24 PolarHBondContact NZ-OE2 3Å; E24-C41 WeakPolarHBondContact O-CA 3.35Å; E24-V42 PolarHBondContact N-O 3.16Å; E24-V42 PolarHBondContact O-N 3.05Å; E24-V42 VanDerWaalsContact O-N 3.08Å
25	E	98.6	Very high	87.9	Confident	73 Å²	73	96.7 Å²	96.7	34%	0.341	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76	144.1	178	-59.4	87.7	165.7	0	0	113.1	S40 C41 W55 Y116 C117	E25-S40 CarbonylContact C-O 3.52Å; E25-S40 WeakPolarHBondContact CA-O 3.34Å; E25-C41 HydrophobicContact CG-CB 4.32Å; E25-W55 HydrophobicContact CB-CH2 4.46Å; E25-W55 HydrophobicContact CG-CH2 4Å; E25-W55 HydrophobicContact CG-CZ3 3.88Å; E25-Y116 WeakPolarHBondContact OE1-CA 3.41Å; E25-C117 PolarHBondContact OE1-N 3.23Å; E25-C117 PolarHBondContact OE1-SG 3.27Å
26	S	98.2	Very high	89.7	Confident	65 Å²	65	91.6 Å²	91.6	46%	0.455	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-155.1	168.8	178.3	59.3	0	0	0	0	112	L39 S40	S26-L39 WeakPolarHBondContact O-CA 3.46Å; S26-S40 PolarHBondContact N-O 3.25Å; S26-S40 PolarHBondContact O-N 3.36Å
27	G	96	Very high	91.3	Very high	43 Å²	43	90 Å²	90	44%	0.443	54%	0.541	S	S	.	.			trans	91.1	3.4	177.7	0	0	0	0	0	115.4	M37	G27-M37 WeakPolarHBondContact O-CE 3.5Å; G27-M37 WeakPolarHBondContact O-CG 3.23Å
28	G	92.1	Very high	92.8	Very high	59 Å²	59	88 Å²	88	61%	0.608	52%	0.521	S	S	*	.			trans	-66	170.9	172	0	0	0	0	0	113.1
29	G	93.6	Very high	94.7	Very high	59 Å²	59	79.7 Å²	79.7	61%	0.608	48%	0.482	S	S	*	.			trans	157.3	179.8	180	0	0	0	0	0	112.6	M37	G29-M37 VanDerWaalsContact N-CE 3.3Å; G29-M37 WeakPolarHBondContact O-CE 3.46Å
30	L	94.1	Very high	95.9	Very high	180 Å²	180	77.1 Å²	77.1	94%	0.942	46%	0.464	S	S	*	.			trans	-88.2	129.9	172.9	-66.7	172.4	0	0	0	109.7
31	V	94.1	Very high	96.3	Very high	68 Å²	68	69 Å²	69	41%	0.412	43%	0.426	S	S	.	.			trans	-134.5	147.3	176	-69.7	0	0	0	0	109.3	M37 L107	V31-M37 HydrophobicContact CG1-CE 3.75Å; V31-M37 HydrophobicContact CG2-CE 4.46Å; V31-L107 HydrophobicContact CG2-CD1 3.44Å; V31-L107 VanDerWaalsContact CG2-CD1 3.44Å
32	Q	92.3	Very high	96.5	Very high	164 Å²	164	67.7 Å²	67.7	77%	0.766	42%	0.418	S	S	*	.			trans	-70.7	149.8	176.6	-65	-177.9	5.8	0	0	110.3	G35	Q32-G35 PolarHBondContact O-N 2.9Å
33	P	93.6	Very high	96.6	Very high	113 Å²	113	63.2 Å²	63.2	73%	0.734	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	141.5	170.8	-26.4	34.9	0	0	0	112	G35	P33-G35 PolarHBondContact O-N 2.68Å
34	G	96.4	Very high	96.5	Very high	45 Å²	45	63.2 Å²	63.2	46%	0.464	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	-11.9	-173.7	0	0	0	0	0	114.5	L107	G34-L107 PolarHBondContact N-O 3.48Å
35	G	97.1	Very high	96.4	Very high	26 Å²	26	60.5 Å²	60.5	27%	0.268	40%	0.399	S	S	.	.			trans	-68.9	-178.2	176.2	0	0	0	0	0	114.1	Q32 P33 N106 L107	Q32-G35 PolarHBondContact O-N 2.9Å; P33-G35 PolarHBondContact O-N 2.68Å; G35-N106 PolarHBondContact O-N 3.46Å; G35-N106 VanDerWaalsContact O-N 3.17Å; G35-L107 PolarHBondContact O-N 2.94Å
36	S	97.1	Very high	96.2	Very high	67 Å²	67	59.5 Å²	59.5	47%	0.469	39%	0.393	S	S	.	.			trans	-129.8	151.7	177.8	-66	0	0	0	0	111.3	M104 N105	S36-M104 CarbonylContact C-O 3.52Å; S36-M104 WeakPolarHBondContact CA-O 3.34Å; S36-M104 WeakPolarHBondContact CB-O 3.48Å; S36-N105 WeakPolarHBondContact CB-OD1 3.41Å; S36-N105 WeakPolarHBondContact OG-CA 3.29Å; S36-N105 PolarHBondContact OG-OD1 2.81Å
37	M	97.2	Very high	96.1	Very high	27 Å²	27	60.3 Å²	60.3	13%	0.133	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	155.1	177.7	168.4	175.3	-80.1	0	0	109.7	G27 G29 V31 L39 M104 L107	G27-M37 WeakPolarHBondContact O-CE 3.5Å; G27-M37 WeakPolarHBondContact O-CG 3.23Å; G29-M37 VanDerWaalsContact N-CE 3.3Å; G29-M37 WeakPolarHBondContact O-CE 3.46Å; V31-M37 HydrophobicContact CG1-CE 3.75Å; V31-M37 HydrophobicContact CG2-CE 4.46Å; M37-L39 HydrophobicContact CG-CD2 4.06Å; M37-L39 HydrophobicContact SD-CD2 3.69Å; M37-M104 HydrophobicContact CB-CE 3.83Å; M37-M104 HydrophobicContact CG-CE 3.64Å; M37-M104 PolarHBondContact N-O 3.21Å; M37-M104 PolarHBondContact O-N 3.31Å; M37-M104 HydrophobicContact SD-CE 3.57Å; M37-M104 VanDerWaalsContact SD-CE 3.57Å; M37-L107 HydrophobicContact CB-CD1 3.96Å
38	K	98.3	Very high	96.1	Very high	98 Å²	98	58.4 Å²	58.4	43%	0.426	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	119.9	170.6	-174.4	179.1	176.6	-176	0	110.1	Y101 L102	K38-Y101 VanDerWaalsContact CE-CD1 3.41Å; K38-L102 WeakPolarHBondContact CA-O 3.31Å
39	L	98.7	Very high	96.4	Very high	11 Å²	11	58 Å²	58	6%	0.058	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	149.9	167.9	-53.4	-178.1	0	0	0	110	S26 M37 W55 Y101 L102 M104 Y115	S26-L39 WeakPolarHBondContact O-CA 3.46Å; M37-L39 HydrophobicContact CG-CD2 4.06Å; M37-L39 HydrophobicContact SD-CD2 3.69Å; L39-W55 HydrophobicContact CB-CH2 3.84Å; L39-W55 HydrophobicContact CB-CZ2 4.07Å; L39-W55 HydrophobicContact CB-CZ3 4.33Å; L39-W55 HydrophobicContact CD1-CE3 4.47Å; L39-W55 HydrophobicContact CD1-CZ3 4.18Å; L39-Y101 CarbonylContact O-C 3.53Å; L39-Y101 VanDerWaalsContact O-CA 3.27Å; L39-Y101 WeakPolarHBondContact O-CA 3.32Å; L39-L102 HydrophobicContact CB-CB 4.27Å; L39-L102 HydrophobicContact CD1-CD2 4.41Å; L39-L102 PolarHBondContact N-O 2.94Å; L39-L102 PolarHBondContact O-N 3.1Å; L39-M104 HydrophobicContact CD1-CE 3.87Å; L39-M104 HydrophobicContact CD1-SD 4.16Å; L39-M104 HydrophobicContact CD2-CE 4.07Å; L39-M104 HydrophobicContact CG-CE 3.68Å; L39-M104 HydrophobicContact CG-SD 4.42Å; L39-Y115 VanDerWaalsContact CD1-CB 3.44Å; L39-Y115 HydrophobicContact CD1-CD1 3.77Å; L39-Y115 HydrophobicContact CD1-CD2 4.07Å; L39-Y115 HydrophobicContact CD1-CE1 4.49Å; L39-Y115 HydrophobicContact CD1-CG 3.5Å; L39-Y115 VanDerWaalsContact CD1-CG 3.5Å
40	S	98.8	Very high	96.5	Very high	27 Å²	27	60 Å²	60	19%	0.189	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	148	174.5	-49.3	0	0	0	0	109.2	E25 S26 V100 Y101	E25-S40 CarbonylContact C-O 3.52Å; E25-S40 WeakPolarHBondContact CA-O 3.34Å; S26-S40 PolarHBondContact N-O 3.25Å; S26-S40 PolarHBondContact O-N 3.36Å; S40-V100 CarbonylContact C-O 3.5Å; S40-V100 WeakPolarHBondContact CA-O 3.46Å; S40-Y101 WeakPolarHBondContact OG-CD1 3.41Å
41	C	98.8	Very high	96.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	124.9	171.5	158.9	0	0	0	0	109.3	E24 E25 W55 S99 V100 C117	E24-C41 WeakPolarHBondContact O-CA 3.35Å; E25-C41 HydrophobicContact CG-CB 4.32Å; C41-W55 HydrophobicContact CB-CH2 3.77Å; C41-W55 HydrophobicContact CB-CZ2 3.75Å; C41-S99 CarbonylContact O-C 3.6Å; C41-S99 VanDerWaalsContact O-CA 3.27Å; C41-S99 WeakPolarHBondContact O-CA 3.23Å; C41-V100 HydrophobicContact CB-CG1 3.65Å; C41-V100 PolarHBondContact N-O 3.03Å; C41-V100 PolarHBondContact O-N 2.8Å; C41-C117 HydrophobicContact CB-CB 3.45Å; C41-C117 VanDerWaalsContact CB-CB 3.45Å; C41-C117 WeakPolarHBondContact CB-SG 3.43Å; C41-C117 WeakPolarHBondContact SG-CB 3.49Å; C41-C117 CovalentContact SG-SG 2.01Å; C41-C117 PolarHBondContact SG-SG 3.21Å
42	V	98.5	Very high	96.9	Very high	63 Å²	63	59.3 Å²	59.3	38%	0.382	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	126.5	175.8	-177.5	0	0	0	0	108.5	E24	E24-V42 PolarHBondContact N-O 3.16Å; E24-V42 PolarHBondContact O-N 3.05Å; E24-V42 VanDerWaalsContact O-N 3.08Å
43	A	98.2	Very high	97.2	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.033	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	141.6	-176.4	0	0	0	0	0	111.6	K22 L23 F46 F48 S98	K22-A43 CarbonylContact O-C 3.57Å; K22-A43 WeakPolarHBondContact O-CA 3.43Å; L23-A43 HydrophobicContact CD2-CB 3.61Å; A43-F46 HydrophobicContact CB-CE1 3.76Å; A43-F46 HydrophobicContact CB-CZ 3.69Å; A43-F48 HydrophobicContact CB-CD2 3.56Å; A43-F48 HydrophobicContact CB-CE2 4.02Å; A43-S98 WeakPolarHBondContact CB-O 3.36Å; A43-S98 PolarHBondContact N-O 2.98Å; A43-S98 WeakPolarHBondContact O-CB 3.13Å
44	S	96.9	Very high	97.5	Very high	50 Å²	50	47.5 Å²	47.5	35%	0.35	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	167.1	176.4	62.3	0	0	0	0	111.7	V21 K22 F46	V21-S44 WeakPolarHBondContact CA-O 3.35Å; K22-S44 PolarHBondContact N-O 3.41Å; K22-S44 PolarHBondContact O-N 3.25Å; S44-F46 WeakPolarHBondContact O-CD1 3.46Å
45	G	95	Very high	97.6	Very high	28 Å²	28	45.4 Å²	45.4	29%	0.289	25%	0.252	S	S	.	.	S	Bend	trans	84.5	2.5	-177	0	0	0	0	0	115.6	S19 E20	S19-G45 WeakPolarHBondContact OG-CA 3.47Å; E20-G45 WeakPolarHBondContact O-CA 3.38Å
46	F	94.4	Very high	97.6	Very high	52 Å²	52	45.3 Å²	45.3	23%	0.228	25%	0.246	C	C	.	.	S	Bend	trans	-153.3	167.5	175.2	66.9	-78.8	0	0	0	111.4	V21 L23 A43 S44 F48 Y51 M53	V21-F46 HydrophobicContact CG1-CD1 3.82Å; V21-F46 HydrophobicContact CG1-CE1 4Å; V21-F46 HydrophobicContact CG2-CB 4.42Å; V21-F46 HydrophobicContact CG2-CD1 4.25Å; L23-F46 HydrophobicContact CD2-CE1 4.06Å; L23-F46 HydrophobicContact CD2-CZ 4.23Å; A43-F46 HydrophobicContact CB-CE1 3.76Å; A43-F46 HydrophobicContact CB-CZ 3.69Å; S44-F46 WeakPolarHBondContact O-CD1 3.46Å; F46-F48 HydrophobicContact CE2-CB 4.33Å; F46-F48 HydrophobicContact CE2-CD2 4.35Å; F46-F48 HydrophobicContact CZ-CD2 4.23Å; F46-F48 PolarHBondContact O-N 3.26Å; F46-Y51 AromaticContact CD2-CD2 3.45Å; F46-Y51 HydrophobicContact CD2-CD2 3.45Å; F46-Y51 VanDerWaalsContact CD2-CD2 3.45Å; F46-Y51 AromaticContact CD2-CE2 3.75Å; F46-Y51 HydrophobicContact CD2-CE2 3.75Å; F46-Y51 HydrophobicContact CD2-CG 4.15Å; F46-Y51 AromaticContact CE2-CD2 3.8Å; F46-Y51 HydrophobicContact CE2-CD2 3.8Å; F46-Y51 HydrophobicContact CE2-CG 4.11Å; F46-M53 HydrophobicContact CZ-SD 4.48Å
47	T	95.9	Very high	97.7	Very high	82 Å²	82	42.4 Å²	42.4	50%	0.503	23%	0.225	S	C	.	.			trans	-76.4	86.1	175.2	-52.9	0	0	0	0	110.4	S49 N50 Y51	T47-S49 PolarHBondContact O-N 3.06Å; T47-S49 VanDerWaalsContact O-N 3.1Å; T47-N50 HydrophobicContact CG2-CB 4.33Å; T47-N50 WeakPolarHBondContact O-CB 3.29Å; T47-N50 PolarHBondContact O-N 3.05Å; T47-Y51 WeakPolarHBondContact O-CD2 3.17Å
48	F	97.4	Very high	97.7	Very high	4 Å²	4	45 Å²	45	2%	0.018	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-47.3	-40.7	-175.7	176.4	-97.7	0	0	0	114.8	A43 F46 N50 Y51 M53 R93 D95 S99 V100	A43-F48 HydrophobicContact CB-CD2 3.56Å; A43-F48 HydrophobicContact CB-CE2 4.02Å; F46-F48 HydrophobicContact CE2-CB 4.33Å; F46-F48 HydrophobicContact CE2-CD2 4.35Å; F46-F48 HydrophobicContact CZ-CD2 4.23Å; F46-F48 PolarHBondContact O-N 3.26Å; F48-N50 PolarHBondContact O-N 3.13Å; F48-N50 VanDerWaalsContact O-N 3.09Å; F48-Y51 PolarHBondContact O-N 2.83Å; F48-M53 HydrophobicContact CD2-CE 4.41Å; F48-M53 HydrophobicContact CD2-CG 4.33Å; F48-M53 HydrophobicContact CD2-SD 3.85Å; F48-M53 HydrophobicContact CE2-CE 3.93Å; F48-M53 HydrophobicContact CE2-CG 3.5Å; F48-M53 HydrophobicContact CE2-SD 3.54Å; F48-M53 VanDerWaalsContact CE2-SD 3.54Å; F48-M53 HydrophobicContact CZ-CG 3.79Å; F48-M53 HydrophobicContact CZ-SD 4.39Å; F48-R93 HydrophobicContact CE1-CB 4.42Å; F48-R93 VanDerWaalsContact CE1-NH2 3.33Å; F48-R93 HydrophobicContact CZ-CB 4.28Å; F48-R93 PolarHBondContact O-NH2 2.77Å; F48-D95 VanDerWaalsContact CE1-OD1 3.31Å; F48-D95 WeakPolarHBondContact CE1-OD1 3.45Å; F48-S99 WeakPolarHBondContact CZ-O 3.19Å; F48-V100 HydrophobicContact CZ-CB 4.46Å
49	S	97.7	Very high	97.4	Very high	49 Å²	49	41 Å²	41	34%	0.343	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-61.9	-18	-179.7	59.6	0	0	0	0	114.3	T47 L72	T47-S49 PolarHBondContact O-N 3.06Å; T47-S49 VanDerWaalsContact O-N 3.1Å; S49-L72 WeakPolarHBondContact O-CB 3.32Å
50	N	97.1	Very high	96.9	Very high	103 Å²	103	46 Å²	46	55%	0.551	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-92.6	-1.5	-177.1	-66.7	1.8	0	0	0	113.5	T47 F48	T47-N50 HydrophobicContact CG2-CB 4.33Å; T47-N50 WeakPolarHBondContact O-CB 3.29Å; T47-N50 PolarHBondContact O-N 3.05Å; F48-N50 PolarHBondContact O-N 3.13Å; F48-N50 VanDerWaalsContact O-N 3.09Å
51	Y	97.6	Very high	96.5	Very high	132 Å²	132	53.2 Å²	53.2	52%	0.518	29%	0.285	S	S	.	.	S	Bend	trans	-121.5	144.7	-175.9	-66.8	-94.2	0	0	0	111.2	F46 T47 F48 R93	F46-Y51 AromaticContact CD2-CD2 3.45Å; F46-Y51 HydrophobicContact CD2-CD2 3.45Å; F46-Y51 VanDerWaalsContact CD2-CD2 3.45Å; F46-Y51 AromaticContact CD2-CE2 3.75Å; F46-Y51 HydrophobicContact CD2-CE2 3.75Å; F46-Y51 HydrophobicContact CD2-CG 4.15Å; F46-Y51 AromaticContact CE2-CD2 3.8Å; F46-Y51 HydrophobicContact CE2-CD2 3.8Å; F46-Y51 HydrophobicContact CE2-CG 4.11Å; T47-Y51 WeakPolarHBondContact O-CD2 3.17Å; F48-Y51 PolarHBondContact O-N 2.83Å; Y51-R93 PolarHBondContact O-NH1 2.83Å; Y51-R93 PolarHBondContact O-NH2 3.37Å
52	W	98.3	Very high	95.9	Very high	101 Å²	101	59.8 Å²	59.8	38%	0.383	31%	0.314	S	S	.	.			trans	-71	147.8	162.6	-59.2	-9	0	0	0	108.7	Q69 R71 D75	W52-Q69 HydrophobicContact CB-CG 4.49Å; W52-R71 HydrophobicContact CD2-CB 4.4Å; W52-R71 HydrophobicContact CD2-CG 3.76Å; W52-R71 HydrophobicContact CE3-CG 4.3Å; W52-R71 HydrophobicContact CG-CB 4.2Å; W52-R71 HydrophobicContact CG-CG 3.98Å; W52-R71 HydrophobicContact CZ2-CG 4.13Å; W52-D75 PolarHBondContact NE1-OD2 2.83Å
53	M	98.6	Very high	95.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.8	177.7	-56.8	-56	-56.5	0	0	109.1	L23 F46 F48 Q69 I70 V100	L23-M53 HydrophobicContact CD2-CE 4.23Å; F46-M53 HydrophobicContact CZ-SD 4.48Å; F48-M53 HydrophobicContact CD2-CE 4.41Å; F48-M53 HydrophobicContact CD2-CG 4.33Å; F48-M53 HydrophobicContact CD2-SD 3.85Å; F48-M53 HydrophobicContact CE2-CE 3.93Å; F48-M53 HydrophobicContact CE2-CG 3.5Å; F48-M53 HydrophobicContact CE2-SD 3.54Å; F48-M53 VanDerWaalsContact CE2-SD 3.54Å; F48-M53 HydrophobicContact CZ-CG 3.79Å; F48-M53 HydrophobicContact CZ-SD 4.39Å; M53-Q69 WeakPolarHBondContact O-CA 3.47Å; M53-I70 HydrophobicContact CB-CG2 4.09Å; M53-I70 PolarHBondContact N-O 3.44Å; M53-I70 PolarHBondContact O-N 2.65Å; M53-V100 HydrophobicContact CB-CB 4.15Å; M53-V100 HydrophobicContact CB-CG1 4.37Å; M53-V100 HydrophobicContact CB-CG2 3.94Å; M53-V100 HydrophobicContact CE-CG1 4.48Å; M53-V100 HydrophobicContact CG-CB 4.4Å
54	N	98.8	Very high	95.5	Very high	28 Å²	28	63.9 Å²	63.9	15%	0.15	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	159.6	177.3	-46.3	-99.3	0	0	0	110.5	W66 A68 Q69 C117 T118	N54-W66 PolarHBondContact OD1-NE1 3.08Å; N54-A68 CarbonylContact C-O 3.57Å; N54-A68 VanDerWaalsContact CA-O 3.24Å; N54-A68 WeakPolarHBondContact CA-O 3.42Å; N54-Q69 WeakPolarHBondContact OD1-CB 3.39Å; N54-Q69 WeakPolarHBondContact OD1-CG 3.41Å; N54-Q69 PolarHBondContact OD1-NE2 2.85Å; N54-C117 VanDerWaalsContact O-CA 3.28Å; N54-C117 WeakPolarHBondContact O-CA 3.41Å; N54-T118 WeakPolarHBondContact CB-OG1 3.19Å; N54-T118 PolarHBondContact N-O 3.15Å; N54-T118 PolarHBondContact ND2-O 3.06Å; N54-T118 PolarHBondContact O-N 3.33Å
55	W	98.8	Very high	95.5	Very high	1 Å²	1	63.7 Å²	63.7	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.6	162.2	-78	96.3	0	0	0	109.2	E25 L39 C41 V67 A68 V100 L102 Y115 Y116 C117	E25-W55 HydrophobicContact CB-CH2 4.46Å; E25-W55 HydrophobicContact CG-CH2 4Å; E25-W55 HydrophobicContact CG-CZ3 3.88Å; L39-W55 HydrophobicContact CB-CH2 3.84Å; L39-W55 HydrophobicContact CB-CZ2 4.07Å; L39-W55 HydrophobicContact CB-CZ3 4.33Å; L39-W55 HydrophobicContact CD1-CE3 4.47Å; L39-W55 HydrophobicContact CD1-CZ3 4.18Å; C41-W55 HydrophobicContact CB-CH2 3.77Å; C41-W55 HydrophobicContact CB-CZ2 3.75Å; W55-V67 HydrophobicContact CB-CB 4.24Å; W55-V67 WeakPolarHBondContact O-CB 3.48Å; W55-V67 PolarHBondContact O-N 2.94Å; W55-A68 PolarHBondContact N-O 2.74Å; W55-A68 PolarHBondContact O-N 3.31Å; W55-V100 HydrophobicContact CZ2-CG1 4.27Å; W55-L102 HydrophobicContact CB-CD2 4.14Å; W55-L102 HydrophobicContact CD2-CB 4.19Å; W55-L102 HydrophobicContact CD2-CD2 4.33Å; W55-L102 HydrophobicContact CG-CB 4.14Å; W55-L102 HydrophobicContact CG-CD2 4Å; W55-L102 HydrophobicContact CG-CG 4.46Å; W55-L102 HydrophobicContact CZ2-CB 4.48Å; W55-Y115 HydrophobicContact CE3-CD1 4.44Å; W55-Y116 WeakPolarHBondContact CA-O 3.48Å; W55-C117 HydrophobicContact CD2-CB 4.43Å; W55-C117 HydrophobicContact CE3-CB 4.35Å; W55-C117 HydrophobicContact CH2-CB 4.27Å; W55-C117 HydrophobicContact CZ2-CB 4.32Å; W55-C117 HydrophobicContact CZ3-CB 4.27Å
56	V	98.5	Very high	95.7	Very high	24 Å²	24	67.2 Å²	67.2	15%	0.145	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.9	175.4	-179.7	0	0	0	0	107.9	L64 E65 Y115 Y116 T118	V56-L64 HydrophobicContact CG1-CB 4.13Å; V56-L64 HydrophobicContact CG1-CD2 3.94Å; V56-E65 CarbonylContact C-O 3.54Å; V56-E65 WeakPolarHBondContact CA-O 3.45Å; V56-E65 WeakPolarHBondContact CG1-O 3.46Å; V56-Y115 CarbonylContact O-C 3.57Å; V56-Y115 WeakPolarHBondContact O-CA 3.27Å; V56-Y116 PolarHBondContact N-O 3.03Å; V56-Y116 PolarHBondContact O-N 2.79Å; V56-T118 HydrophobicContact CG2-CG2 4.16Å
57	R	97.6	Very high	95.9	Very high	7 Å²	7	64.9 Å²	64.9	3%	0.026	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.3	174.9	173.8	178.7	63.6	-156.1	15.6	109.3	L64 E65 V67 E110 D111 I114 Y115	R57-L64 CarbonylContact O-C 3.58Å; R57-L64 WeakPolarHBondContact O-CA 3.37Å; R57-E65 IonicContact CZ-OE2 3.23Å; R57-E65 PolarHBondContact N-O 2.82Å; R57-E65 IonicContact NE-OE2 2.68Å; R57-E65 PolarHBondContact NE-OE2 2.96Å; R57-E65 IonicContact NH2-OE2 3.22Å; R57-E65 PolarHBondContact NH2-OE2 2.84Å; R57-E65 PolarHBondContact O-N 2.79Å; R57-V67 HydrophobicContact CB-CG2 3.59Å; R57-E110 PolarHBondContact NH1-O 2.95Å; R57-E110 PolarHBondContact NH2-O 3.36Å; R57-D111 IonicContact NH1-OD1 3.57Å; R57-D111 PolarHBondContact NH1-OD1 3.13Å; R57-I114 CarbonylContact C-O 3.58Å; R57-I114 WeakPolarHBondContact CA-O 3.49Å; R57-Y115 HydrophobicContact CB-CD1 4.23Å; R57-Y115 HydrophobicContact CB-CE1 4Å; R57-Y115 HydrophobicContact CB-CE2 4.32Å; R57-Y115 HydrophobicContact CG-CD2 4.36Å; R57-Y115 HydrophobicContact CG-CE1 4.45Å; R57-Y115 HydrophobicContact CG-CE2 3.93Å; R57-Y115 PolarHBondContact NH1-OH 3.24Å
58	Q	97.6	Very high	96	Very high	81 Å²	81	61 Å²	61	38%	0.379	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	102.2	163.3	-166.9	173.4	15.6	0	0	109.3	G63 L64 G113 I114 Y116	Q58-G63 CarbonylContact C-O 3.56Å; Q58-G63 WeakPolarHBondContact CA-O 3.02Å; Q58-L64 HydrophobicContact CB-CD2 3.78Å; Q58-L64 HydrophobicContact CG-CD2 3.99Å; Q58-G113 VanDerWaalsContact O-CA 3.23Å; Q58-G113 WeakPolarHBondContact O-CA 3.44Å; Q58-I114 HydrophobicContact CB-CB 4.45Å; Q58-I114 PolarHBondContact N-O 2.9Å; Q58-I114 PolarHBondContact O-N 3.21Å; Q58-Y116 HydrophobicContact CB-CE2 3.94Å; Q58-Y116 PolarHBondContact OE1-OH 3.28Å
59	S	92.3	Very high	96.1	Very high	15 Å²	15	62 Å²	62	11%	0.105	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	139.9	171.7	172.8	0	0	0	0	110.1	E61 K62 G63	S59-E61 PolarHBondContact O-N 2.81Å; S59-E61 PolarHBondContact OG-N 2.8Å; S59-K62 PolarHBondContact OG-N 2.77Å; S59-G63 PolarHBondContact N-O 2.82Å; S59-G63 PolarHBondContact O-N 2.93Å; S59-G63 VanDerWaalsContact O-N 3.16Å
60	P	88.6	Confident	96.1	Very high	114 Å²	114	60.1 Å²	60.1	74%	0.74	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-32.8	173	-24.5	33.9	0	0	0	113.7
61	E	89.8	Confident	96.2	Very high	179 Å²	179	58.5 Å²	58.5	84%	0.836	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-35.8	-173.9	-63.7	-178.3	174.2	0	0	113.1	S59	S59-E61 PolarHBondContact O-N 2.81Å; S59-E61 PolarHBondContact OG-N 2.8Å
62	K	86.5	Confident	96.2	Very high	139 Å²	139	54 Å²	54	60%	0.604	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-7.9	-169.4	-63	179.6	-179.7	176.2	0	114.6	S59 E65	S59-K62 PolarHBondContact OG-N 2.77Å; K62-E65 HydrophobicContact CB-CG 4.41Å; K62-E65 WeakPolarHBondContact CD-OE1 3.27Å
63	G	92.2	Very high	96.2	Very high	31 Å²	31	56.3 Å²	56.3	32%	0.32	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	77.1	-144.5	-174.2	0	0	0	0	0	112.3	Q58 S59	Q58-G63 CarbonylContact C-O 3.56Å; Q58-G63 WeakPolarHBondContact CA-O 3.02Å; S59-G63 PolarHBondContact N-O 2.82Å; S59-G63 PolarHBondContact O-N 2.93Å; S59-G63 VanDerWaalsContact O-N 3.16Å
64	L	96.6	Very high	96.1	Very high	122 Å²	122	61 Å²	61	64%	0.639	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	127.3	-176.7	-66.1	173.4	0	0	0	111.8	V56 R57 Q58	V56-L64 HydrophobicContact CG1-CB 4.13Å; V56-L64 HydrophobicContact CG1-CD2 3.94Å; R57-L64 CarbonylContact O-C 3.58Å; R57-L64 WeakPolarHBondContact O-CA 3.37Å; Q58-L64 HydrophobicContact CB-CD2 3.78Å; Q58-L64 HydrophobicContact CG-CD2 3.99Å
65	E	96.8	Very high	96.1	Very high	46 Å²	46	62.3 Å²	62.3	22%	0.215	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.7	179.4	-62.3	180	135.3	0	0	109.4	V56 R57 K62	V56-E65 CarbonylContact C-O 3.54Å; V56-E65 WeakPolarHBondContact CA-O 3.45Å; V56-E65 WeakPolarHBondContact CG1-O 3.46Å; R57-E65 IonicContact CZ-OE2 3.23Å; R57-E65 PolarHBondContact N-O 2.82Å; R57-E65 IonicContact NE-OE2 2.68Å; R57-E65 PolarHBondContact NE-OE2 2.96Å; R57-E65 IonicContact NH2-OE2 3.22Å; R57-E65 PolarHBondContact NH2-OE2 2.84Å; R57-E65 PolarHBondContact O-N 2.79Å; K62-E65 HydrophobicContact CB-CG 4.41Å; K62-E65 WeakPolarHBondContact CD-OE1 3.27Å
66	W	97.9	Very high	96	Very high	102 Å²	102	69 Å²	69	39%	0.386	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	136.7	171.8	177.1	86.8	0	0	0	110.3	N54 Q69 H80 A82	N54-W66 PolarHBondContact OD1-NE1 3.08Å; W66-Q69 HydrophobicContact CZ2-CB 3.64Å; W66-H80 HydrophobicContact CH2-CB 3.77Å; W66-H80 HydrophobicContact CZ2-CB 4.1Å; W66-A82 HydrophobicContact CE3-CB 3.92Å; W66-A82 HydrophobicContact CZ3-CB 4.01Å; W66-A82 VanDerWaalsContact O-CB 3.29Å; W66-A82 WeakPolarHBondContact O-CB 3.26Å
67	V	98.5	Very high	96	Very high	2 Å²	2	71.9 Å²	71.9	1%	0.012	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-53.9	-172.9	177.5	0	0	0	0	112.1	W55 R57 A82 V85 F89 L102 Y115	W55-V67 HydrophobicContact CB-CB 4.24Å; W55-V67 WeakPolarHBondContact O-CB 3.48Å; W55-V67 PolarHBondContact O-N 2.94Å; R57-V67 HydrophobicContact CB-CG2 3.59Å; V67-A82 PolarHBondContact O-N 3.18Å; V67-V85 HydrophobicContact CG1-CG1 4.35Å; V67-V85 HydrophobicContact CG1-CG2 4.05Å; V67-V85 WeakPolarHBondContact O-CG2 3.24Å; V67-F89 HydrophobicContact CG1-CD2 3.83Å; V67-F89 HydrophobicContact CG1-CE2 4.16Å; V67-L102 HydrophobicContact CG1-CD2 4.07Å; V67-Y115 HydrophobicContact CG1-CE1 4.29Å; V67-Y115 HydrophobicContact CG2-CD1 4.47Å; V67-Y115 HydrophobicContact CG2-CE1 3.98Å
68	A	98.8	Very high	96.1	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	156.9	-175.9	0	0	0	0	0	111.6	N54 W55 H80 Y81 I91 L102	N54-A68 CarbonylContact C-O 3.57Å; N54-A68 VanDerWaalsContact CA-O 3.24Å; N54-A68 WeakPolarHBondContact CA-O 3.42Å; W55-A68 PolarHBondContact N-O 2.74Å; W55-A68 PolarHBondContact O-N 3.31Å; A68-H80 CarbonylContact C-O 3.52Å; A68-H80 VanDerWaalsContact CA-O 3.24Å; A68-H80 WeakPolarHBondContact CA-O 3.49Å; A68-Y81 HydrophobicContact CB-CD1 3.74Å; A68-Y81 HydrophobicContact CB-CE1 4.03Å; A68-I91 HydrophobicContact CB-CB 4.02Å; A68-I91 HydrophobicContact CB-CD1 4.11Å; A68-I91 HydrophobicContact CB-CG2 4.11Å; A68-L102 HydrophobicContact CB-CD1 4.14Å
69	Q	98.8	Very high	96.1	Very high	27 Å²	27	72.2 Å²	72.2	13%	0.126	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145	174.1	177.1	-178.9	98.3	0	0	110.2	W52 M53 N54 W66 T79 H80	W52-Q69 HydrophobicContact CB-CG 4.49Å; M53-Q69 WeakPolarHBondContact O-CA 3.47Å; N54-Q69 WeakPolarHBondContact OD1-CB 3.39Å; N54-Q69 WeakPolarHBondContact OD1-CG 3.41Å; N54-Q69 PolarHBondContact OD1-NE2 2.85Å; W66-Q69 HydrophobicContact CZ2-CB 3.64Å; Q69-T79 VanDerWaalsContact O-CA 3.26Å; Q69-T79 WeakPolarHBondContact O-CA 3.48Å; Q69-H80 PolarHBondContact N-O 3.47Å; Q69-H80 PolarHBondContact O-N 3.12Å
70	I	98.9	Very high	96.4	Very high	8 Å²	8	75.5 Å²	75.5	4%	0.041	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125.2	166.6	-173	160.6	0	0	0	109.8	M53 T79 I91 R93 V100	M53-I70 HydrophobicContact CB-CG2 4.09Å; M53-I70 PolarHBondContact N-O 3.44Å; M53-I70 PolarHBondContact O-N 2.65Å; I70-T79 HydrophobicContact CB-CG2 4.35Å; I70-T79 HydrophobicContact CD1-CG2 4.1Å; I70-T79 HydrophobicContact CG1-CG2 4.06Å; I70-I91 HydrophobicContact CB-CD1 3.96Å; I70-I91 HydrophobicContact CB-CG1 4.08Å; I70-I91 HydrophobicContact CB-CG2 4.01Å; I70-I91 HydrophobicContact CG2-CD1 3.63Å; I70-I91 HydrophobicContact CG2-CG1 3.85Å; I70-R93 HydrophobicContact CD1-CB 4.19Å; I70-R93 HydrophobicContact CD1-CG 3.71Å; I70-R93 HydrophobicContact CG1-CG 4.16Å; I70-R93 HydrophobicContact CG2-CB 4.19Å; I70-R93 HydrophobicContact CG2-CG 4.39Å; I70-V100 HydrophobicContact CG2-CG2 3.97Å
71	R	98.6	Very high	96.9	Very high	70 Å²	70	72.8 Å²	72.8	26%	0.264	36%	0.363	S	S	.	.			trans	-79.3	174.3	179.5	-63.2	-165.9	178.7	169.5	1	112.2	W52 D75 A78 R93	W52-R71 HydrophobicContact CD2-CB 4.4Å; W52-R71 HydrophobicContact CD2-CG 3.76Å; W52-R71 HydrophobicContact CE3-CG 4.3Å; W52-R71 HydrophobicContact CG-CB 4.2Å; W52-R71 HydrophobicContact CG-CG 3.98Å; W52-R71 HydrophobicContact CZ2-CG 4.13Å; R71-D75 HydrophobicContact CB-CB 3.61Å; R71-D75 HydrophobicContact CG-CB 4.34Å; R71-A78 HydrophobicContact CG-CB 4.46Å; R71-A78 PolarHBondContact N-O 3.15Å; R71-R93 WeakPolarHBondContact O-CD 3.41Å; R71-R93 PolarHBondContact O-NH1 2.87Å
72	L	97.9	Very high	97.3	Very high	37 Å²	37	65 Å²	65	19%	0.194	33%	0.33	C	S	.	.			trans	-82.1	172.6	178.3	69.1	110.1	0	0	0	111.4	S49 S74 D75 Y77	S49-L72 WeakPolarHBondContact O-CB 3.32Å; L72-S74 VanDerWaalsContact C-N 3.3Å; L72-S74 WeakPolarHBondContact CD1-OG 2.94Å; L72-S74 PolarHBondContact O-N 2.99Å; L72-D75 PolarHBondContact O-N 2.88Å; L72-Y77 PolarHBondContact O-N 2.9Å
73	K	97.5	Very high	97.9	Very high	149 Å²	149	65.4 Å²	65.4	65%	0.648	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-56.5	-37.1	-171.5	-174	174.7	179.3	178.1	0	114.3	D75 N76 Y77	K73-D75 PolarHBondContact O-N 2.61Å; K73-N76 WeakPolarHBondContact O-CA 3.33Å; K73-N76 PolarHBondContact O-N 2.9Å; K73-Y77 HydrophobicContact CB-CE1 4.09Å; K73-Y77 HydrophobicContact CB-CE2 4.1Å; K73-Y77 HydrophobicContact CG-CE2 3.87Å
74	S	97.6	Very high	98	Very high	99 Å²	99	67 Å²	67	69%	0.692	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-64.1	-25.4	179.5	61.7	0	0	0	0	113.1	L72 N76	L72-S74 VanDerWaalsContact C-N 3.3Å; L72-S74 WeakPolarHBondContact CD1-OG 2.94Å; L72-S74 PolarHBondContact O-N 2.99Å; S74-N76 PolarHBondContact O-N 2.87Å
75	D	97.8	Very high	98.1	Very high	55 Å²	55	61.2 Å²	61.2	29%	0.294	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-92.5	20.8	174.7	-57.8	-53.1	0	0	0	111.6	W52 R71 L72 K73 Y77 A78	W52-D75 PolarHBondContact NE1-OD2 2.83Å; R71-D75 HydrophobicContact CB-CB 3.61Å; R71-D75 HydrophobicContact CG-CB 4.34Å; L72-D75 PolarHBondContact O-N 2.88Å; K73-D75 PolarHBondContact O-N 2.61Å; D75-Y77 PolarHBondContact O-N 3.46Å; D75-Y77 VanDerWaalsContact O-N 3.14Å; D75-A78 VanDerWaalsContact O-CB 3.32Å; D75-A78 WeakPolarHBondContact O-CB 3.35Å; D75-A78 PolarHBondContact O-N 3.08Å
76	N	97.9	Very high	98.2	Very high	141 Å²	141	65 Å²	65	75%	0.754	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	35.4	-177	-167.2	45.6	0	0	0	113.5	K73 S74 A78	K73-N76 WeakPolarHBondContact O-CA 3.33Å; K73-N76 PolarHBondContact O-N 2.9Å; S74-N76 PolarHBondContact O-N 2.87Å; N76-A78 PolarHBondContact O-N 3.46Å; N76-A78 VanDerWaalsContact O-N 3.14Å
77	Y	98.3	Very high	98.2	Very high	85 Å²	85	64 Å²	64	33%	0.333	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	32.5	-177.2	-59.1	-70.8	0	0	0	113.7	L72 K73 D75 T79 R93 D95	L72-Y77 PolarHBondContact O-N 2.9Å; K73-Y77 HydrophobicContact CB-CE1 4.09Å; K73-Y77 HydrophobicContact CB-CE2 4.1Å; K73-Y77 HydrophobicContact CG-CE2 3.87Å; D75-Y77 PolarHBondContact O-N 3.46Å; D75-Y77 VanDerWaalsContact O-N 3.14Å; Y77-T79 WeakPolarHBondContact O-CG2 3.28Å; Y77-T79 PolarHBondContact O-N 3.08Å; Y77-R93 HydrophobicContact CD1-CG 4.05Å; Y77-R93 HydrophobicContact CE1-CG 4.11Å; Y77-D95 WeakPolarHBondContact CE1-OD2 3.34Å; Y77-D95 PolarHBondContact OH-OD2 3.35Å
78	A	98.6	Very high	98.2	Very high	36 Å²	36	65 Å²	65	30%	0.298	35%	0.35	S	S	.	.			trans	-52.7	134.1	-179.2	0	0	0	0	0	111.7	R71 D75 N76	R71-A78 HydrophobicContact CG-CB 4.46Å; R71-A78 PolarHBondContact N-O 3.15Å; D75-A78 VanDerWaalsContact O-CB 3.32Å; D75-A78 WeakPolarHBondContact O-CB 3.35Å; D75-A78 PolarHBondContact O-N 3.08Å; N76-A78 PolarHBondContact O-N 3.46Å; N76-A78 VanDerWaalsContact O-N 3.14Å
79	T	98.8	Very high	98.1	Very high	60 Å²	60	65.1 Å²	65.1	37%	0.368	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.1	-177.5	60.6	0	0	0	0	111.7	Q69 I70 Y77 Y81 I91	Q69-T79 VanDerWaalsContact O-CA 3.26Å; Q69-T79 WeakPolarHBondContact O-CA 3.48Å; I70-T79 HydrophobicContact CB-CG2 4.35Å; I70-T79 HydrophobicContact CD1-CG2 4.1Å; I70-T79 HydrophobicContact CG1-CG2 4.06Å; Y77-T79 WeakPolarHBondContact O-CG2 3.28Å; Y77-T79 PolarHBondContact O-N 3.08Å; T79-Y81 WeakPolarHBondContact OG1-CE2 3.47Å; T79-I91 HydrophobicContact CG2-CG2 3.82Å
80	H	98.6	Very high	98.1	Very high	83 Å²	83	67.3 Å²	67.3	38%	0.384	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.7	172.6	-62.2	-87.3	0	0	0	109.9	W66 A68 Q69	W66-H80 HydrophobicContact CH2-CB 3.77Å; W66-H80 HydrophobicContact CZ2-CB 4.1Å; A68-H80 CarbonylContact C-O 3.52Å; A68-H80 VanDerWaalsContact CA-O 3.24Å; A68-H80 WeakPolarHBondContact CA-O 3.49Å; Q69-H80 PolarHBondContact N-O 3.47Å; Q69-H80 PolarHBondContact O-N 3.12Å
81	Y	98.8	Very high	98.1	Very high	57 Å²	57	67.1 Å²	67.1	22%	0.224	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146	-176.7	-59.8	-84.1	0	0	0	110.6	A68 T79 F89 I91	A68-Y81 HydrophobicContact CB-CD1 3.74Å; A68-Y81 HydrophobicContact CB-CE1 4.03Å; T79-Y81 WeakPolarHBondContact OG1-CE2 3.47Å; Y81-F89 WeakPolarHBondContact CE1-O 3.37Å; Y81-I91 HydrophobicContact CE1-CB 4.29Å; Y81-I91 HydrophobicContact CE1-CG2 3.83Å; Y81-I91 PolarHBondContact OH-N 2.93Å; Y81-I91 VanDerWaalsContact OH-N 3.13Å
82	A	98.2	Very high	98.1	Very high	16 Å²	16	66.1 Å²	66.1	13%	0.132	37%	0.369	C	S	.	.			trans	-66	146	168	0	0	0	0	0	109.9	W66 V67 S84 V85 K86	W66-A82 HydrophobicContact CE3-CB 3.92Å; W66-A82 HydrophobicContact CZ3-CB 4.01Å; W66-A82 VanDerWaalsContact O-CB 3.29Å; W66-A82 WeakPolarHBondContact O-CB 3.26Å; V67-A82 PolarHBondContact O-N 3.18Å; A82-S84 PolarHBondContact O-N 3.38Å; A82-S84 VanDerWaalsContact O-N 3.15Å; A82-V85 HydrophobicContact CB-CG2 4.23Å; A82-V85 WeakPolarHBondContact O-CG2 3.46Å; A82-V85 PolarHBondContact O-N 2.83Å; A82-K86 PolarHBondContact O-N 3.03Å
83	E	98	Very high	98.2	Very high	147 Å²	147	65.8 Å²	65.8	69%	0.687	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-31.5	-175.2	-165	58.4	-150.9	0	0	112.1	V85 K86	E83-V85 PolarHBondContact O-N 3.33Å; E83-K86 WeakPolarHBondContact OE2-CD 3.28Å; E83-K86 IonicContact OE2-NZ 2.79Å
84	S	95.9	Very high	98.2	Very high	65 Å²	65	60.5 Å²	60.5	46%	0.455	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.8	177.9	55.6	0	0	0	0	114.6	A82 R88	A82-S84 PolarHBondContact O-N 3.38Å; A82-S84 VanDerWaalsContact O-N 3.15Å; S84-R88 PolarHBondContact O-NH2 3.14Å
85	V	98.1	Very high	98.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-6.5	-175.2	-56.1	0	0	0	0	113.4	V67 A82 E83 G87 R88 F89	V67-V85 HydrophobicContact CG1-CG1 4.35Å; V67-V85 HydrophobicContact CG1-CG2 4.05Å; V67-V85 WeakPolarHBondContact O-CG2 3.24Å; A82-V85 HydrophobicContact CB-CG2 4.23Å; A82-V85 WeakPolarHBondContact O-CG2 3.46Å; A82-V85 PolarHBondContact O-N 2.83Å; E83-V85 PolarHBondContact O-N 3.33Å; V85-G87 PolarHBondContact O-N 2.86Å; V85-R88 WeakPolarHBondContact O-CB 3.46Å; V85-R88 PolarHBondContact O-N 2.85Å; V85-F89 HydrophobicContact CB-CB 4.11Å; V85-F89 HydrophobicContact CB-CD1 4.29Å; V85-F89 HydrophobicContact CB-CD2 3.56Å; V85-F89 HydrophobicContact CB-CE2 3.96Å; V85-F89 HydrophobicContact CB-CG 3.74Å; V85-F89 HydrophobicContact CB-CZ 4.48Å; V85-F89 HydrophobicContact CG1-CD2 3.64Å; V85-F89 HydrophobicContact CG1-CE2 3.51Å; V85-F89 HydrophobicContact CG1-CG 4.25Å; V85-F89 HydrophobicContact CG1-CZ 4.02Å; V85-F89 HydrophobicContact CG2-CB 4.31Å; V85-F89 HydrophobicContact CG2-CD2 4.03Å; V85-F89 HydrophobicContact CG2-CG 4.34Å; V85-F89 PolarHBondContact O-N 3.35Å
86	K	98	Very high	98.2	Very high	126 Å²	126	60.1 Å²	60.1	55%	0.548	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	133	-179.3	-169.4	173.5	-180	-177.1	0	110.9	A82 E83 R88	A82-K86 PolarHBondContact O-N 3.03Å; E83-K86 WeakPolarHBondContact OE2-CD 3.28Å; E83-K86 IonicContact OE2-NZ 2.79Å; K86-R88 PolarHBondContact O-N 2.89Å
87	G	98.1	Very high	98.2	Very high	81 Å²	81	59.2 Å²	59.2	84%	0.835	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	-5	-176	0	0	0	0	0	115.3	V85	V85-G87 PolarHBondContact O-N 2.86Å
88	R	98.1	Very high	98.2	Very high	22 Å²	22	57 Å²	57	8%	0.083	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-39.9	176.8	-61.7	-169.2	-58.6	110.2	-0.3	112.3	S84 V85 K86 N105 N106 D111	S84-R88 PolarHBondContact O-NH2 3.14Å; V85-R88 WeakPolarHBondContact O-CB 3.46Å; V85-R88 PolarHBondContact O-N 2.85Å; K86-R88 PolarHBondContact O-N 2.89Å; R88-N105 WeakPolarHBondContact CB-O 3.43Å; R88-N105 WeakPolarHBondContact O-CB 3.35Å; R88-N105 PolarHBondContact O-N 2.86Å; R88-N105 VanDerWaalsContact O-N 3.11Å; R88-N105 PolarHBondContact O-ND2 3.08Å; R88-N106 PolarHBondContact NH1-O 3.26Å; R88-D111 IonicContact CZ-OD1 3.89Å; R88-D111 IonicContact CZ-OD2 3.35Å; R88-D111 IonicContact NH1-OD1 3.87Å; R88-D111 IonicContact NH1-OD2 2.67Å; R88-D111 PolarHBondContact NH1-OD2 2.01Å; R88-D111 IonicContact NH2-OD1 2.95Å; R88-D111 PolarHBondContact NH2-OD1 3.35Å; R88-D111 IonicContact NH2-OD2 3.14Å; R88-D111 PolarHBondContact NH2-OD2 2.85Å; R88-D111 VanDerWaalsContact NH2-OD2 3.14Å
89	F	98.6	Very high	98.2	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.018	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	154.9	-177.9	-66.8	9.3	0	0	0	111.3	V67 Y81 V85 L102 Q103 M104 L107 D111 Y115	V67-F89 HydrophobicContact CG1-CD2 3.83Å; V67-F89 HydrophobicContact CG1-CE2 4.16Å; Y81-F89 WeakPolarHBondContact CE1-O 3.37Å; V85-F89 HydrophobicContact CB-CB 4.11Å; V85-F89 HydrophobicContact CB-CD1 4.29Å; V85-F89 HydrophobicContact CB-CD2 3.56Å; V85-F89 HydrophobicContact CB-CE2 3.96Å; V85-F89 HydrophobicContact CB-CG 3.74Å; V85-F89 HydrophobicContact CB-CZ 4.48Å; V85-F89 HydrophobicContact CG1-CD2 3.64Å; V85-F89 HydrophobicContact CG1-CE2 3.51Å; V85-F89 HydrophobicContact CG1-CG 4.25Å; V85-F89 HydrophobicContact CG1-CZ 4.02Å; V85-F89 HydrophobicContact CG2-CB 4.31Å; V85-F89 HydrophobicContact CG2-CD2 4.03Å; V85-F89 HydrophobicContact CG2-CG 4.34Å; V85-F89 PolarHBondContact O-N 3.35Å; F89-L102 HydrophobicContact CB-CD1 4.27Å; F89-L102 HydrophobicContact CD2-CD1 4.42Å; F89-L102 HydrophobicContact CD2-CD2 4.19Å; F89-L102 HydrophobicContact CD2-CG 4.45Å; F89-Q103 CarbonylContact C-O 3.47Å; F89-Q103 VanDerWaalsContact CA-O 3.23Å; F89-Q103 WeakPolarHBondContact CA-O 3.32Å; F89-M104 HydrophobicContact CD1-CB 3.74Å; F89-M104 HydrophobicContact CD1-CG 3.97Å; F89-M104 HydrophobicContact CD2-CG 3.84Å; F89-M104 HydrophobicContact CD2-SD 4.3Å; F89-M104 HydrophobicContact CE1-CB 3.57Å; F89-M104 HydrophobicContact CE1-CG 3.91Å; F89-M104 HydrophobicContact CE1-SD 4.48Å; F89-M104 HydrophobicContact CE2-CB 4.35Å; F89-M104 HydrophobicContact CE2-CG 3.76Å; F89-M104 HydrophobicContact CE2-SD 3.71Å; F89-M104 HydrophobicContact CG-CB 4.24Å; F89-M104 HydrophobicContact CG-CG 3.96Å; F89-M104 HydrophobicContact CZ-CB 3.9Å; F89-M104 HydrophobicContact CZ-CG 3.8Å; F89-M104 HydrophobicContact CZ-SD 3.82Å; F89-L107 HydrophobicContact CE1-CD2 3.88Å; F89-L107 HydrophobicContact CZ-CD2 3.78Å; F89-D111 HydrophobicContact CZ-CB 4.03Å; F89-Y115 HydrophobicContact CE2-CE1 4.46Å
90	T	98.8	Very high	98.2	Very high	72 Å²	72	52.8 Å²	52.8	44%	0.442	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	119.4	177.6	-55.6	0	0	0	0	109.4	Q103	T90-Q103 PolarHBondContact N-O 3.01Å; T90-Q103 PolarHBondContact O-N 3.27Å
91	I	98.9	Very high	98.2	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	141.5	174.7	-169.6	173.3	0	0	0	109.5	A68 I70 T79 Y81 V100 Y101 L102	A68-I91 HydrophobicContact CB-CB 4.02Å; A68-I91 HydrophobicContact CB-CD1 4.11Å; A68-I91 HydrophobicContact CB-CG2 4.11Å; I70-I91 HydrophobicContact CB-CD1 3.96Å; I70-I91 HydrophobicContact CB-CG1 4.08Å; I70-I91 HydrophobicContact CB-CG2 4.01Å; I70-I91 HydrophobicContact CG2-CD1 3.63Å; I70-I91 HydrophobicContact CG2-CG1 3.85Å; T79-I91 HydrophobicContact CG2-CG2 3.82Å; Y81-I91 HydrophobicContact CE1-CB 4.29Å; Y81-I91 HydrophobicContact CE1-CG2 3.83Å; Y81-I91 PolarHBondContact OH-N 2.93Å; Y81-I91 VanDerWaalsContact OH-N 3.13Å; I91-V100 HydrophobicContact CD1-CG2 4.01Å; I91-V100 HydrophobicContact CG1-CG2 3.94Å; I91-Y101 WeakPolarHBondContact CA-O 3.37Å; I91-Y101 WeakPolarHBondContact CG1-O 3.45Å; I91-L102 HydrophobicContact CB-CD1 4.2Å
92	S	98.7	Very high	98.3	Very high	49 Å²	49	47.9 Å²	47.9	34%	0.343	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	161.2	175.4	57	0	0	0	0	110.5	V100 Y101	S92-V100 CarbonylContact O-C 3.6Å; S92-V100 WeakPolarHBondContact O-CA 3.24Å; S92-V100 WeakPolarHBondContact O-CG2 3.46Å; S92-Y101 PolarHBondContact N-O 2.9Å; S92-Y101 PolarHBondContact O-N 3.22Å
93	R	98.6	Very high	98.3	Very high	29 Å²	29	50 Å²	50	11%	0.109	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	152.5	179	67.8	-173.1	-77.6	160.6	7.3	111.7	F48 Y51 I70 R71 Y77 D95 S99	F48-R93 HydrophobicContact CE1-CB 4.42Å; F48-R93 VanDerWaalsContact CE1-NH2 3.33Å; F48-R93 HydrophobicContact CZ-CB 4.28Å; F48-R93 PolarHBondContact O-NH2 2.77Å; Y51-R93 PolarHBondContact O-NH1 2.83Å; Y51-R93 PolarHBondContact O-NH2 3.37Å; I70-R93 HydrophobicContact CD1-CB 4.19Å; I70-R93 HydrophobicContact CD1-CG 3.71Å; I70-R93 HydrophobicContact CG1-CG 4.16Å; I70-R93 HydrophobicContact CG2-CB 4.19Å; I70-R93 HydrophobicContact CG2-CG 4.39Å; R71-R93 WeakPolarHBondContact O-CD 3.41Å; R71-R93 PolarHBondContact O-NH1 2.87Å; Y77-R93 HydrophobicContact CD1-CG 4.05Å; Y77-R93 HydrophobicContact CE1-CG 4.11Å; R93-D95 IonicContact CZ-OD1 3.21Å; R93-D95 IonicContact NE-OD1 2.77Å; R93-D95 PolarHBondContact NE-OD1 2.89Å; R93-D95 IonicContact NH2-OD1 2.83Å; R93-D95 PolarHBondContact NH2-OD1 3.22Å; R93-S99 CarbonylContact C-O 3.53Å; R93-S99 VanDerWaalsContact CA-O 3.28Å; R93-S99 WeakPolarHBondContact CA-O 3.49Å
94	D	98.3	Very high	98.3	Very high	38 Å²	38	43.2 Å²	43.2	20%	0.203	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	100.6	173.6	-175.5	-18	0	0	0	108.4	S96 K97 S98 S99 Y101	D94-S96 PolarHBondContact O-N 3.09Å; D94-S96 WeakPolarHBondContact OD1-CB 3.04Å; D94-S96 PolarHBondContact OD1-N 2.77Å; D94-S96 VanDerWaalsContact OD1-N 3.08Å; D94-S96 PolarHBondContact OD1-OG 3.32Å; D94-K97 HydrophobicContact CB-CB 4.37Å; D94-K97 PolarHBondContact O-N 2.87Å; D94-K97 PolarHBondContact OD1-N 3.02Å; D94-K97 WeakPolarHBondContact OD2-CD 3.28Å; D94-K97 WeakPolarHBondContact OD2-CE 3.4Å; D94-K97 IonicContact OD2-NZ 2.94Å; D94-K97 PolarHBondContact OD2-NZ 3.46Å; D94-S98 PolarHBondContact O-N 3.14Å; D94-S98 VanDerWaalsContact O-N 3.12Å; D94-S99 PolarHBondContact N-O 2.94Å; D94-S99 PolarHBondContact O-N 3.01Å; D94-S99 VanDerWaalsContact O-N 3.08Å; D94-Y101 HydrophobicContact CB-CE2 4.06Å
95	D	98	Very high	98.4	Very high	42 Å²	42	42.9 Å²	42.9	23%	0.225	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-65.6	-27	-176.7	-65.9	-31.7	0	0	0	112.3	F48 Y77 R93 K97 S98	F48-D95 VanDerWaalsContact CE1-OD1 3.31Å; F48-D95 WeakPolarHBondContact CE1-OD1 3.45Å; Y77-D95 WeakPolarHBondContact CE1-OD2 3.34Å; Y77-D95 PolarHBondContact OH-OD2 3.35Å; R93-D95 IonicContact CZ-OD1 3.21Å; R93-D95 IonicContact NE-OD1 2.77Å; R93-D95 PolarHBondContact NE-OD1 2.89Å; R93-D95 IonicContact NH2-OD1 2.83Å; R93-D95 PolarHBondContact NH2-OD1 3.22Å; D95-K97 PolarHBondContact O-N 2.92Å; D95-S98 PolarHBondContact O-N 3.48Å
96	S	97.6	Very high	98.4	Very high	105 Å²	105	47 Å²	47	73%	0.734	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-72	-20.2	178.4	74.2	0	0	0	0	113.1	D94	D94-S96 PolarHBondContact O-N 3.09Å; D94-S96 WeakPolarHBondContact OD1-CB 3.04Å; D94-S96 PolarHBondContact OD1-N 2.77Å; D94-S96 VanDerWaalsContact OD1-N 3.08Å; D94-S96 PolarHBondContact OD1-OG 3.32Å
97	K	98	Very high	98.3	Very high	122 Å²	122	41.7 Å²	41.7	53%	0.53	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-112.8	5.4	179.7	-60.5	-178.5	-167.2	136.9	0	112.9	D94 D95 S99	D94-K97 HydrophobicContact CB-CB 4.37Å; D94-K97 PolarHBondContact O-N 2.87Å; D94-K97 PolarHBondContact OD1-N 3.02Å; D94-K97 WeakPolarHBondContact OD2-CD 3.28Å; D94-K97 WeakPolarHBondContact OD2-CE 3.4Å; D94-K97 IonicContact OD2-NZ 2.94Å; D94-K97 PolarHBondContact OD2-NZ 3.46Å; D95-K97 PolarHBondContact O-N 2.92Å; K97-S99 PolarHBondContact O-N 3.14Å; K97-S99 VanDerWaalsContact O-N 3.15Å; K97-S99 PolarHBondContact O-OG 3.28Å
98	S	98.2	Very high	98.2	Very high	38 Å²	38	43.8 Å²	43.8	27%	0.266	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	43.4	-172.4	-57.4	0	0	0	0	112.6	A43 D94 D95	A43-S98 WeakPolarHBondContact CB-O 3.36Å; A43-S98 PolarHBondContact N-O 2.98Å; A43-S98 WeakPolarHBondContact O-CB 3.13Å; D94-S98 PolarHBondContact O-N 3.14Å; D94-S98 VanDerWaalsContact O-N 3.12Å; D95-S98 PolarHBondContact O-N 3.48Å
99	S	98.7	Very high	98	Very high	7 Å²	7	46 Å²	46	5%	0.049	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	139.3	-169.1	-65.1	0	0	0	0	112.4	C41 F48 R93 D94 K97 Y101	C41-S99 CarbonylContact O-C 3.6Å; C41-S99 VanDerWaalsContact O-CA 3.27Å; C41-S99 WeakPolarHBondContact O-CA 3.23Å; F48-S99 WeakPolarHBondContact CZ-O 3.19Å; R93-S99 CarbonylContact C-O 3.53Å; R93-S99 VanDerWaalsContact CA-O 3.28Å; R93-S99 WeakPolarHBondContact CA-O 3.49Å; D94-S99 PolarHBondContact N-O 2.94Å; D94-S99 PolarHBondContact O-N 3.01Å; D94-S99 VanDerWaalsContact O-N 3.08Å; K97-S99 PolarHBondContact O-N 3.14Å; K97-S99 VanDerWaalsContact O-N 3.15Å; K97-S99 PolarHBondContact O-OG 3.28Å; S99-Y101 WeakPolarHBondContact CB-OH 3.49Å
100	V	98.8	Very high	97.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	143.5	169.6	66.8	0	0	0	0	109.8	S40 C41 F48 M53 W55 I70 I91 S92 C117	S40-V100 CarbonylContact C-O 3.5Å; S40-V100 WeakPolarHBondContact CA-O 3.46Å; C41-V100 HydrophobicContact CB-CG1 3.65Å; C41-V100 PolarHBondContact N-O 3.03Å; C41-V100 PolarHBondContact O-N 2.8Å; F48-V100 HydrophobicContact CZ-CB 4.46Å; M53-V100 HydrophobicContact CB-CB 4.15Å; M53-V100 HydrophobicContact CB-CG1 4.37Å; M53-V100 HydrophobicContact CB-CG2 3.94Å; M53-V100 HydrophobicContact CE-CG1 4.48Å; M53-V100 HydrophobicContact CG-CB 4.4Å; W55-V100 HydrophobicContact CZ2-CG1 4.27Å; I70-V100 HydrophobicContact CG2-CG2 3.97Å; I91-V100 HydrophobicContact CD1-CG2 4.01Å; I91-V100 HydrophobicContact CG1-CG2 3.94Å; S92-V100 CarbonylContact O-C 3.6Å; S92-V100 WeakPolarHBondContact O-CA 3.24Å; S92-V100 WeakPolarHBondContact O-CG2 3.46Å; V100-C117 HydrophobicContact CG1-CB 4.05Å
101	Y	98.9	Very high	97.7	Very high	37 Å²	37	48.4 Å²	48.4	15%	0.145	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.2	-177.6	-49.1	-82.3	0	0	0	110.7	K38 L39 S40 I91 S92 D94 S99	K38-Y101 VanDerWaalsContact CE-CD1 3.41Å; L39-Y101 CarbonylContact O-C 3.53Å; L39-Y101 VanDerWaalsContact O-CA 3.27Å; L39-Y101 WeakPolarHBondContact O-CA 3.32Å; S40-Y101 WeakPolarHBondContact OG-CD1 3.41Å; I91-Y101 WeakPolarHBondContact CA-O 3.37Å; I91-Y101 WeakPolarHBondContact CG1-O 3.45Å; S92-Y101 PolarHBondContact N-O 2.9Å; S92-Y101 PolarHBondContact O-N 3.22Å; D94-Y101 HydrophobicContact CB-CE2 4.06Å; S99-Y101 WeakPolarHBondContact CB-OH 3.49Å
102	L	98.9	Very high	97.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	104.4	170.6	-171.9	67.8	0	0	0	109	K38 L39 W55 V67 A68 F89 I91 M104 Y115	K38-L102 WeakPolarHBondContact CA-O 3.31Å; L39-L102 HydrophobicContact CB-CB 4.27Å; L39-L102 HydrophobicContact CD1-CD2 4.41Å; L39-L102 PolarHBondContact N-O 2.94Å; L39-L102 PolarHBondContact O-N 3.1Å; W55-L102 HydrophobicContact CB-CD2 4.14Å; W55-L102 HydrophobicContact CD2-CB 4.19Å; W55-L102 HydrophobicContact CD2-CD2 4.33Å; W55-L102 HydrophobicContact CG-CB 4.14Å; W55-L102 HydrophobicContact CG-CD2 4Å; W55-L102 HydrophobicContact CG-CG 4.46Å; W55-L102 HydrophobicContact CZ2-CB 4.48Å; V67-L102 HydrophobicContact CG1-CD2 4.07Å; A68-L102 HydrophobicContact CB-CD1 4.14Å; F89-L102 HydrophobicContact CB-CD1 4.27Å; F89-L102 HydrophobicContact CD2-CD1 4.42Å; F89-L102 HydrophobicContact CD2-CD2 4.19Å; F89-L102 HydrophobicContact CD2-CG 4.45Å; I91-L102 HydrophobicContact CB-CD1 4.2Å; L102-M104 HydrophobicContact CD2-CG 3.98Å; L102-M104 HydrophobicContact CD2-SD 3.9Å; L102-M104 HydrophobicContact CG-CG 3.87Å; L102-M104 HydrophobicContact CG-SD 4.43Å; L102-Y115 HydrophobicContact CD2-CD1 3.95Å; L102-Y115 HydrophobicContact CD2-CE1 3.87Å
103	Q	98.6	Very high	97.3	Very high	60 Å²	60	51.7 Å²	51.7	28%	0.28	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	122	169	-179.7	62.5	39.3	0	0	108.4	F89 T90 N105	F89-Q103 CarbonylContact C-O 3.47Å; F89-Q103 VanDerWaalsContact CA-O 3.23Å; F89-Q103 WeakPolarHBondContact CA-O 3.32Å; T90-Q103 PolarHBondContact N-O 3.01Å; T90-Q103 PolarHBondContact O-N 3.27Å; Q103-N105 PolarHBondContact NE2-OD1 3.39Å
104	M	98.5	Very high	97.2	Very high	5 Å²	5	55 Å²	55	3%	0.025	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.3	-179.8	-57.3	-175.6	-61.6	0	0	108.7	S36 M37 L39 F89 L102 L107 Y115	S36-M104 CarbonylContact C-O 3.52Å; S36-M104 WeakPolarHBondContact CA-O 3.34Å; S36-M104 WeakPolarHBondContact CB-O 3.48Å; M37-M104 HydrophobicContact CB-CE 3.83Å; M37-M104 HydrophobicContact CG-CE 3.64Å; M37-M104 PolarHBondContact N-O 3.21Å; M37-M104 PolarHBondContact O-N 3.31Å; M37-M104 HydrophobicContact SD-CE 3.57Å; M37-M104 VanDerWaalsContact SD-CE 3.57Å; L39-M104 HydrophobicContact CD1-CE 3.87Å; L39-M104 HydrophobicContact CD1-SD 4.16Å; L39-M104 HydrophobicContact CD2-CE 4.07Å; L39-M104 HydrophobicContact CG-CE 3.68Å; L39-M104 HydrophobicContact CG-SD 4.42Å; F89-M104 HydrophobicContact CD1-CB 3.74Å; F89-M104 HydrophobicContact CD1-CG 3.97Å; F89-M104 HydrophobicContact CD2-CG 3.84Å; F89-M104 HydrophobicContact CD2-SD 4.3Å; F89-M104 HydrophobicContact CE1-CB 3.57Å; F89-M104 HydrophobicContact CE1-CG 3.91Å; F89-M104 HydrophobicContact CE1-SD 4.48Å; F89-M104 HydrophobicContact CE2-CB 4.35Å; F89-M104 HydrophobicContact CE2-CG 3.76Å; F89-M104 HydrophobicContact CE2-SD 3.71Å; F89-M104 HydrophobicContact CG-CB 4.24Å; F89-M104 HydrophobicContact CG-CG 3.96Å; F89-M104 HydrophobicContact CZ-CB 3.9Å; F89-M104 HydrophobicContact CZ-CG 3.8Å; F89-M104 HydrophobicContact CZ-SD 3.82Å; L102-M104 HydrophobicContact CD2-CG 3.98Å; L102-M104 HydrophobicContact CD2-SD 3.9Å; L102-M104 HydrophobicContact CG-CG 3.87Å; L102-M104 HydrophobicContact CG-SD 4.43Å; M104-L107 HydrophobicContact CB-CD1 4.38Å; M104-L107 HydrophobicContact CB-CD2 3.83Å; M104-L107 HydrophobicContact CB-CG 4.19Å; M104-L107 HydrophobicContact CE-CD2 4.38Å; M104-L107 HydrophobicContact SD-CD2 4.26Å; M104-Y115 HydrophobicContact SD-CE1 4Å
105	N	97.8	Very high	97.2	Very high	59 Å²	59	54.3 Å²	54.3	32%	0.316	30%	0.296	S	S	.	.			trans	-120.4	157.7	177.1	-55.6	-59.5	0	0	0	110.8	S36 R88 Q103 L107	S36-N105 WeakPolarHBondContact CB-OD1 3.41Å; S36-N105 WeakPolarHBondContact OG-CA 3.29Å; S36-N105 PolarHBondContact OG-OD1 2.81Å; R88-N105 WeakPolarHBondContact CB-O 3.43Å; R88-N105 WeakPolarHBondContact O-CB 3.35Å; R88-N105 PolarHBondContact O-N 2.86Å; R88-N105 VanDerWaalsContact O-N 3.11Å; R88-N105 PolarHBondContact O-ND2 3.08Å; Q103-N105 PolarHBondContact NE2-OD1 3.39Å; N105-L107 VanDerWaalsContact C-N 3.27Å; N105-L107 PolarHBondContact O-N 3.46Å
106	N	97.5	Very high	97.3	Very high	86 Å²	86	56.4 Å²	56.4	46%	0.46	30%	0.302	S	S	.	.	S	Bend	trans	49.9	52	179.3	-170.9	25.8	0	0	0	111	G35 R88	G35-N106 PolarHBondContact O-N 3.46Å; G35-N106 VanDerWaalsContact O-N 3.17Å; R88-N106 PolarHBondContact NH1-O 3.26Å
107	L	97.6	Very high	97.3	Very high	14 Å²	14	51.6 Å²	51.6	7%	0.073	27%	0.268	C	S	.	.			trans	-62.3	139.5	-176.2	-80.5	164.7	0	0	0	111.2	V31 G34 G35 M37 F89 M104 N105 D111	V31-L107 HydrophobicContact CG2-CD1 3.44Å; V31-L107 VanDerWaalsContact CG2-CD1 3.44Å; G34-L107 PolarHBondContact N-O 3.48Å; G35-L107 PolarHBondContact O-N 2.94Å; M37-L107 HydrophobicContact CB-CD1 3.96Å; F89-L107 HydrophobicContact CE1-CD2 3.88Å; F89-L107 HydrophobicContact CZ-CD2 3.78Å; M104-L107 HydrophobicContact CB-CD1 4.38Å; M104-L107 HydrophobicContact CB-CD2 3.83Å; M104-L107 HydrophobicContact CB-CG 4.19Å; M104-L107 HydrophobicContact CE-CD2 4.38Å; M104-L107 HydrophobicContact SD-CD2 4.26Å; N105-L107 VanDerWaalsContact C-N 3.27Å; N105-L107 PolarHBondContact O-N 3.46Å; L107-D111 HydrophobicContact CD2-CB 3.7Å
108	R	95.9	Very high	97.2	Very high	125 Å²	125	50.1 Å²	50.1	47%	0.472	27%	0.269	S	S	.	.			trans	-116.1	166.4	179	-53.1	178.9	176.9	170.3	-2.5	110.3	E110 D111	R108-E110 WeakPolarHBondContact CB-OE2 3.49Å; R108-E110 PolarHBondContact O-N 3.48Å; R108-D111 PolarHBondContact N-OD2 3.49Å; R108-D111 WeakPolarHBondContact O-CB 3.4Å; R108-D111 PolarHBondContact O-N 3.35Å
109	A	93.7	Very high	97.2	Very high	70 Å²	70	50.8 Å²	50.8	58%	0.579	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-58	-36.4	177.4	0	0	0	0	0	111.5	D111 T112	A109-D111 PolarHBondContact O-N 3.43Å; A109-D111 VanDerWaalsContact O-N 3.17Å; A109-T112 VanDerWaalsContact O-CB 3.29Å; A109-T112 WeakPolarHBondContact O-CB 3.36Å; A109-T112 PolarHBondContact O-N 3.05Å; A109-T112 VanDerWaalsContact O-N 3.1Å; A109-T112 PolarHBondContact O-OG1 3.41Å
110	E	94	Very high	97.1	Very high	117 Å²	117	53.1 Å²	53.1	55%	0.547	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-68.7	-9.7	177.7	-51.9	79.6	-173.8	0	0	113.4	R57 R108 T112	R57-E110 PolarHBondContact NH1-O 2.95Å; R57-E110 PolarHBondContact NH2-O 3.36Å; R108-E110 WeakPolarHBondContact CB-OE2 3.49Å; R108-E110 PolarHBondContact O-N 3.48Å; E110-T112 VanDerWaalsContact C-N 3.29Å
111	D	95.6	Very high	97	Very high	8 Å²	8	56 Å²	56	4%	0.043	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-84.4	-4.7	173.4	-58.8	-45.5	0	0	0	113.6	R57 R88 F89 L107 R108 A109 G113 Y115	R57-D111 IonicContact NH1-OD1 3.57Å; R57-D111 PolarHBondContact NH1-OD1 3.13Å; R88-D111 IonicContact CZ-OD1 3.89Å; R88-D111 IonicContact CZ-OD2 3.35Å; R88-D111 IonicContact NH1-OD1 3.87Å; R88-D111 IonicContact NH1-OD2 2.67Å; R88-D111 PolarHBondContact NH1-OD2 2.01Å; R88-D111 IonicContact NH2-OD1 2.95Å; R88-D111 PolarHBondContact NH2-OD1 3.35Å; R88-D111 IonicContact NH2-OD2 3.14Å; R88-D111 PolarHBondContact NH2-OD2 2.85Å; R88-D111 VanDerWaalsContact NH2-OD2 3.14Å; F89-D111 HydrophobicContact CZ-CB 4.03Å; L107-D111 HydrophobicContact CD2-CB 3.7Å; R108-D111 PolarHBondContact N-OD2 3.49Å; R108-D111 WeakPolarHBondContact O-CB 3.4Å; R108-D111 PolarHBondContact O-N 3.35Å; A109-D111 PolarHBondContact O-N 3.43Å; A109-D111 VanDerWaalsContact O-N 3.17Å; D111-G113 PolarHBondContact O-N 3.46Å; D111-Y115 WeakPolarHBondContact O-CE2 3.02Å; D111-Y115 PolarHBondContact O-OH 3.31Å
112	T	95.1	Very high	96.9	Very high	95 Å²	95	57.1 Å²	57.1	58%	0.583	31%	0.305	S	S	*	.			trans	-68.7	130.2	179.2	-52.8	0	0	0	0	111.2	A109 E110	A109-T112 VanDerWaalsContact O-CB 3.29Å; A109-T112 WeakPolarHBondContact O-CB 3.36Å; A109-T112 PolarHBondContact O-N 3.05Å; A109-T112 VanDerWaalsContact O-N 3.1Å; A109-T112 PolarHBondContact O-OG1 3.41Å; E110-T112 VanDerWaalsContact C-N 3.29Å
113	G	95.7	Very high	96.8	Very high	29 Å²	29	60.7 Å²	60.7	30%	0.299	33%	0.325	S	S	.	.	S	Bend	trans	168.2	179.7	174.9	0	0	0	0	0	112	Q58 D111	Q58-G113 VanDerWaalsContact O-CA 3.23Å; Q58-G113 WeakPolarHBondContact O-CA 3.44Å; D111-G113 PolarHBondContact O-N 3.46Å
114	I	96.9	Very high	96.6	Very high	97 Å²	97	60.7 Å²	60.7	50%	0.497	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	133.2	169.5	-53.7	175.7	0	0	0	107.7	R57 Q58 Y116	R57-I114 CarbonylContact C-O 3.58Å; R57-I114 WeakPolarHBondContact CA-O 3.49Å; Q58-I114 HydrophobicContact CB-CB 4.45Å; Q58-I114 PolarHBondContact N-O 2.9Å; Q58-I114 PolarHBondContact O-N 3.21Å; I114-Y116 HydrophobicContact CB-CE2 4.02Å; I114-Y116 HydrophobicContact CG2-CD2 4.39Å; I114-Y116 HydrophobicContact CG2-CE1 3.93Å; I114-Y116 HydrophobicContact CG2-CE2 3.67Å; I114-Y116 VanDerWaalsContact CG2-CZ 3.41Å; I114-Y116 WeakPolarHBondContact CG2-OH 3.39Å
115	Y	98.1	Very high	96.5	Very high	25 Å²	25	64.7 Å²	64.7	10%	0.098	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.7	-179.8	-79	-107.1	0	0	0	109.8	L39 W55 V56 R57 V67 F89 L102 M104 D111	L39-Y115 VanDerWaalsContact CD1-CB 3.44Å; L39-Y115 HydrophobicContact CD1-CD1 3.77Å; L39-Y115 HydrophobicContact CD1-CD2 4.07Å; L39-Y115 HydrophobicContact CD1-CE1 4.49Å; L39-Y115 HydrophobicContact CD1-CG 3.5Å; L39-Y115 VanDerWaalsContact CD1-CG 3.5Å; W55-Y115 HydrophobicContact CE3-CD1 4.44Å; V56-Y115 CarbonylContact O-C 3.57Å; V56-Y115 WeakPolarHBondContact O-CA 3.27Å; R57-Y115 HydrophobicContact CB-CD1 4.23Å; R57-Y115 HydrophobicContact CB-CE1 4Å; R57-Y115 HydrophobicContact CB-CE2 4.32Å; R57-Y115 HydrophobicContact CG-CD2 4.36Å; R57-Y115 HydrophobicContact CG-CE1 4.45Å; R57-Y115 HydrophobicContact CG-CE2 3.93Å; R57-Y115 PolarHBondContact NH1-OH 3.24Å; V67-Y115 HydrophobicContact CG1-CE1 4.29Å; V67-Y115 HydrophobicContact CG2-CD1 4.47Å; V67-Y115 HydrophobicContact CG2-CE1 3.98Å; F89-Y115 HydrophobicContact CE2-CE1 4.46Å; L102-Y115 HydrophobicContact CD2-CD1 3.95Å; L102-Y115 HydrophobicContact CD2-CE1 3.87Å; M104-Y115 HydrophobicContact SD-CE1 4Å; D111-Y115 WeakPolarHBondContact O-CE2 3.02Å; D111-Y115 PolarHBondContact O-OH 3.31Å
116	Y	98.2	Very high	96.4	Very high	86 Å²	86	65.2 Å²	65.2	34%	0.337	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.5	178	-59.8	-76.9	0	0	0	109.6	E25 W55 V56 Q58 I114	E25-Y116 WeakPolarHBondContact OE1-CA 3.41Å; W55-Y116 WeakPolarHBondContact CA-O 3.48Å; V56-Y116 PolarHBondContact N-O 3.03Å; V56-Y116 PolarHBondContact O-N 2.79Å; Q58-Y116 HydrophobicContact CB-CE2 3.94Å; Q58-Y116 PolarHBondContact OE1-OH 3.28Å; I114-Y116 HydrophobicContact CB-CE2 4.02Å; I114-Y116 HydrophobicContact CG2-CD2 4.39Å; I114-Y116 HydrophobicContact CG2-CE1 3.93Å; I114-Y116 HydrophobicContact CG2-CE2 3.67Å; I114-Y116 VanDerWaalsContact CG2-CZ 3.41Å; I114-Y116 WeakPolarHBondContact CG2-OH 3.39Å
117	C	98.5	Very high	96.3	Very high	4 Å²	4	63.4 Å²	63.4	3%	0.027	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	148.4	163.2	55.5	0	0	0	0	109.3	L23 E25 C41 N54 W55 V100	L23-C117 WeakPolarHBondContact CD1-O 3.06Å; E25-C117 PolarHBondContact OE1-N 3.23Å; E25-C117 PolarHBondContact OE1-SG 3.27Å; C41-C117 HydrophobicContact CB-CB 3.45Å; C41-C117 VanDerWaalsContact CB-CB 3.45Å; C41-C117 WeakPolarHBondContact CB-SG 3.43Å; C41-C117 WeakPolarHBondContact SG-CB 3.49Å; C41-C117 CovalentContact SG-SG 2.01Å; C41-C117 PolarHBondContact SG-SG 3.21Å; N54-C117 VanDerWaalsContact O-CA 3.28Å; N54-C117 WeakPolarHBondContact O-CA 3.41Å; W55-C117 HydrophobicContact CD2-CB 4.43Å; W55-C117 HydrophobicContact CE3-CB 4.35Å; W55-C117 HydrophobicContact CH2-CB 4.27Å; W55-C117 HydrophobicContact CZ2-CB 4.32Å; W55-C117 HydrophobicContact CZ3-CB 4.27Å; V100-C117 HydrophobicContact CG1-CB 4.05Å
118	T	96.5	Very high	96.2	Very high	91 Å²	91	67.9 Å²	67.9	56%	0.558	37%	0.367	S	S	*	.			trans	-145	0	-178.5	66.3	0	0	0	0	111.5	N54 V56	N54-T118 WeakPolarHBondContact CB-OG1 3.19Å; N54-T118 PolarHBondContact N-O 3.15Å; N54-T118 PolarHBondContact ND2-O 3.06Å; N54-T118 PolarHBondContact O-N 3.33Å; V56-T118 HydrophobicContact CG2-CG2 4.16Å

Retrieved 118 of 118 residues in 85.2 ms (Link to these results)

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