A0A075B6A7_MOUSE Loading...

Immunoglobulin heavy variable 2-6

AlphaFold DB , UniProt , Accession A0A075B6A7, Species MOUSE (Mus musculus, Mouse), Gene Ighv2-6, Length 116 aa.

						>A0A075B6A7_MOUSE|A0A075B6A7|Ighv2-6
MAVLGLLLCLVTFPSCVLSQVQLKESGPGLVAPSQSLSITCTVSGFSLTSYGVHWVRQPPGKGLEWLVVIWSDGSTTYNSALKSRLSISKDNSKSQVFLKMNSLQTDDTAMYYCAR
					

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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	62.1	Low	65.9	Low	217 Å²	217	112 Å²	112	100%	1.069	65%	0.65	S	S	*	*				0	-44.5	0	-73.3	172	66.5	0	0	113.1	V3 L4 G5	M1-V3 PolarHBondContact O-N 3.41Å; M1-L4 PolarHBondContact O-N 3.02Å; M1-G5 PolarHBondContact O-N 3.45Å
2	A	70.8	Confident	65.7	Low	90 Å²	90	109.9 Å²	109.9	74%	0.744	64%	0.641	S	S	*	*	H	α-helix	trans	-59.1	-38.8	179.5	0	0	0	0	0	114.6	L4 G5 L6	A2-L4 VanDerWaalsContact C-N 3.34Å; A2-L4 PolarHBondContact O-N 3.2Å; A2-G5 PolarHBondContact O-N 3.21Å; A2-L6 PolarHBondContact O-N 3.08Å
3	V	72.8	Confident	65.5	Low	109 Å²	109	115.2 Å²	115.2	66%	0.661	65%	0.652	S	S	*	*	H	α-helix	trans	-65.2	-36.6	178.1	-176.3	0	0	0	0	112.1	M1 L6 L7	M1-V3 PolarHBondContact O-N 3.41Å; V3-L6 PolarHBondContact O-N 3.35Å; V3-L7 HydrophobicContact CG1-CD1 4.25Å; V3-L7 WeakPolarHBondContact O-CG 3.47Å; V3-L7 PolarHBondContact O-N 3.28Å; V3-L7 VanDerWaalsContact O-N 3.08Å
4	L	67.5	Low	65.3	Low	119 Å²	119	113.6 Å²	113.6	62%	0.623	65%	0.648	S	S	*	*	H	α-helix	trans	-69.7	-36.2	177.4	-153.8	79.5	0	0	0	111.2	M1 A2 L8	M1-L4 PolarHBondContact O-N 3.02Å; A2-L4 VanDerWaalsContact C-N 3.34Å; A2-L4 PolarHBondContact O-N 3.2Å; L4-L8 WeakPolarHBondContact O-CD1 3.11Å; L4-L8 WeakPolarHBondContact O-CG 3.31Å; L4-L8 PolarHBondContact O-N 3.24Å; L4-L8 VanDerWaalsContact O-N 3.08Å
5	G	65.2	Low	64.9	Low	36 Å²	36	113.5 Å²	113.5	37%	0.371	66%	0.657	S	S	.	*	H	α-helix	trans	-65.8	-40.3	173.2	0	0	0	0	0	113	M1 A2 L8 C9	M1-G5 PolarHBondContact O-N 3.45Å; A2-G5 PolarHBondContact O-N 3.21Å; G5-L8 PolarHBondContact O-N 3.08Å; G5-C9 PolarHBondContact O-N 3.12Å; G5-C9 VanDerWaalsContact O-N 3.12Å
6	L	64.7	Low	64.8	Low	124 Å²	124	113.8 Å²	113.8	65%	0.649	67%	0.666	S	S	*	*	H	α-helix	trans	-65.5	-40.4	176.4	-155.4	90.7	0	0	0	111.9	A2 V3 L8 C9 L10	A2-L6 PolarHBondContact O-N 3.08Å; V3-L6 PolarHBondContact O-N 3.35Å; L6-L8 VanDerWaalsContact C-N 3.34Å; L6-C9 PolarHBondContact O-N 3.31Å; L6-L10 PolarHBondContact O-N 3.28Å
7	L	65.5	Low	64.9	Low	104 Å²	104	114.5 Å²	114.5	55%	0.545	67%	0.672	S	S	.	*	H	α-helix	trans	-64.4	-37.1	174.7	-78.1	161.7	0	0	0	112.1	V3 L10	V3-L7 HydrophobicContact CG1-CD1 4.25Å; V3-L7 WeakPolarHBondContact O-CG 3.47Å; V3-L7 PolarHBondContact O-N 3.28Å; V3-L7 VanDerWaalsContact O-N 3.08Å; L7-L10 PolarHBondContact O-N 3.02Å
8	L	64.2	Low	65	Low	106 Å²	106	116.9 Å²	116.9	56%	0.555	68%	0.68	S	S	*	*	H	α-helix	trans	-68.8	-31.8	175.8	-77.1	162.9	0	0	0	113.1	L4 G5 L6 L10 V11	L4-L8 WeakPolarHBondContact O-CD1 3.11Å; L4-L8 WeakPolarHBondContact O-CG 3.31Å; L4-L8 PolarHBondContact O-N 3.24Å; L4-L8 VanDerWaalsContact O-N 3.08Å; G5-L8 PolarHBondContact O-N 3.08Å; L6-L8 VanDerWaalsContact C-N 3.34Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-V11 HydrophobicContact CD2-CG2 4.47Å; L8-V11 WeakPolarHBondContact O-CG2 3.5Å; L8-V11 PolarHBondContact O-N 3.35Å
9	C	64	Low	65.4	Low	91 Å²	91	115.5 Å²	115.5	62%	0.615	68%	0.678	S	S	*	*	H	α-helix	trans	-68.6	-30.6	174.5	-77.9	0	0	0	0	113.4	G5 L6 V11 T12	G5-C9 PolarHBondContact O-N 3.12Å; G5-C9 VanDerWaalsContact O-N 3.12Å; L6-C9 PolarHBondContact O-N 3.31Å; C9-V11 VanDerWaalsContact C-N 3.32Å; C9-T12 PolarHBondContact O-OG1 3.4Å
10	L	63	Low	66.6	Low	132 Å²	132	116.9 Å²	116.9	69%	0.691	68%	0.677	S	S	*	*	H	α-helix	trans	-74.1	-21.9	179.4	-72.3	167.4	0	0	0	113	L6 L7 L8	L6-L10 PolarHBondContact O-N 3.28Å; L7-L10 PolarHBondContact O-N 3.02Å; L8-L10 VanDerWaalsContact C-N 3.34Å
11	V	65.6	Low	67.9	Low	104 Å²	104	113.9 Å²	113.9	63%	0.63	66%	0.66	S	S	*	*	H	α-helix	trans	-90.6	-12.9	179.3	-77.2	0	0	0	0	114.3	L8 C9	L8-V11 HydrophobicContact CD2-CG2 4.47Å; L8-V11 WeakPolarHBondContact O-CG2 3.5Å; L8-V11 PolarHBondContact O-N 3.35Å; C9-V11 VanDerWaalsContact C-N 3.32Å
12	T	63.6	Low	69.5	Low	87 Å²	87	108.5 Å²	108.5	53%	0.534	63%	0.633	S	S	.	*	S	Bend	trans	-92.1	-2.3	-175	51.9	0	0	0	0	115.6	C9	C9-T12 PolarHBondContact O-OG1 3.4Å
13	F	62.1	Low	70.8	Confident	179 Å²	179	106.8 Å²	106.8	79%	0.785	61%	0.611	S	S	*	*			trans	-139.7	76.1	178.6	-72.7	-86.7	0	0	0	114.2
14	P	62.7	Low	72	Confident	92 Å²	92	108.8 Å²	108.8	60%	0.597	61%	0.61	S	S	*	*			trans	-133.9	18	150.3	35.7	-20.4	0	0	0	114.4	C16	P14-C16 PolarHBondContact O-N 3.42Å
15	S	60	Low	73.5	Confident	112 Å²	112	106.4 Å²	106.4	78%	0.783	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	0.9	177.7	37.5	0	0	0	0	114.7
16	C	63.5	Low	75.1	Confident	119 Å²	119	107.3 Å²	107.3	80%	0.804	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	34.4	173.8	-69.1	0	0	0	0	113.3	P14 L18	P14-C16 PolarHBondContact O-N 3.42Å; C16-L18 PolarHBondContact O-N 3.34Å
17	V	66.5	Low	76.6	Confident	126 Å²	126	103.8 Å²	103.8	76%	0.764	59%	0.591	S	S	*	*			trans	-76.2	87.5	161.7	-172.7	0	0	0	0	107	S19	V17-S19 PolarHBondContact O-N 2.98Å
18	L	66.7	Low	77.9	Confident	157 Å²	157	101.9 Å²	101.9	82%	0.822	58%	0.584	S	S	*	*			trans	-51.9	128.3	162.9	-68.3	172.1	0	0	0	107	C16 Q20	C16-L18 PolarHBondContact O-N 3.34Å; L18-Q20 PolarHBondContact O-N 3.06Å
19	S	72.9	Confident	79.3	Confident	91 Å²	91	100.5 Å²	100.5	64%	0.636	60%	0.596	S	S	*	*			trans	-56.7	113.5	-179.6	-166.2	0	0	0	0	109	V17 V21 G45	V17-S19 PolarHBondContact O-N 2.98Å; S19-V21 PolarHBondContact O-N 3.31Å; S19-G45 WeakPolarHBondContact OG-CA 2.93Å
20	Q	89.2	Confident	80.6	Confident	143 Å²	143	104.4 Å²	104.4	67%	0.668	61%	0.61	S	S	*	*			trans	-69	127	179.3	-173.8	179.4	-0.4	0	0	108.7	L18 Q22	L18-Q20 PolarHBondContact O-N 3.06Å; Q20-Q22 PolarHBondContact O-N 2.84Å
21	V	93.8	Very high	82.1	Confident	53 Å²	53	100.2 Å²	100.2	32%	0.321	59%	0.589	S	S	.	*			trans	-67.1	127.8	172.4	172.4	0	0	0	0	108.9	S19 L23 S44 F46	S19-V21 PolarHBondContact O-N 3.31Å; V21-L23 HydrophobicContact CG1-CD1 3.85Å; V21-S44 WeakPolarHBondContact CA-O 3.37Å; V21-F46 HydrophobicContact CG1-CD1 3.79Å; V21-F46 HydrophobicContact CG1-CE1 3.85Å; V21-F46 HydrophobicContact CG2-CD1 4.33Å
22	Q	96.1	Very high	83.5	Confident	105 Å²	105	97.5 Å²	97.5	49%	0.491	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.2	143.2	173.3	-51.1	-179.4	-18	0	0	109.9	Q20 V43 S44	Q20-Q22 PolarHBondContact O-N 2.84Å; Q22-V43 WeakPolarHBondContact O-CA 3.3Å; Q22-S44 WeakPolarHBondContact CB-OG 3.33Å; Q22-S44 PolarHBondContact N-O 3.46Å; Q22-S44 PolarHBondContact O-N 3.38Å
23	L	98.1	Very high	84.9	Confident	53 Å²	53	97.1 Å²	97.1	28%	0.277	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.5	126.5	172.5	-65	98.9	0	0	0	106.4	V21 V43 F46 C114	V21-L23 HydrophobicContact CG1-CD1 3.85Å; L23-V43 HydrophobicContact CD2-CG1 4.33Å; L23-V43 HydrophobicContact CG-CG1 4.41Å; L23-F46 HydrophobicContact CG-CE1 4.45Å; L23-C114 HydrophobicContact CD2-CB 4.24Å
24	K	98.2	Very high	86.4	Confident	151 Å²	151	93.4 Å²	93.4	66%	0.657	57%	0.574	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-127.2	107.5	-176.9	-178.9	178.1	178.8	179.2	0	110.2	C41 T42	K24-C41 WeakPolarHBondContact O-CA 3.41Å; K24-T42 PolarHBondContact N-O 3Å; K24-T42 PolarHBondContact O-N 3.04Å
25	E	98.4	Very high	88	Confident	69 Å²	69	94.1 Å²	94.1	32%	0.322	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.5	143.1	174.9	-58.8	83.7	171.2	0	0	111.1	T40 W55 Y113 C114	E25-T40 CarbonylContact C-O 3.53Å; E25-T40 WeakPolarHBondContact CA-O 3.33Å; E25-W55 HydrophobicContact CG-CH2 4.09Å; E25-W55 HydrophobicContact CG-CZ3 3.9Å; E25-Y113 WeakPolarHBondContact OE1-CA 3.43Å; E25-C114 PolarHBondContact OE1-N 3.37Å; E25-C114 PolarHBondContact OE1-SG 2.88Å
26	S	98.2	Very high	89.8	Confident	56 Å²	56	91.3 Å²	91.3	39%	0.392	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	149.4	177.1	56	0	0	0	0	109.7	I39 T40	S26-I39 CarbonylContact O-C 3.48Å; S26-I39 WeakPolarHBondContact O-CA 3.35Å; S26-T40 PolarHBondContact N-O 2.83Å; S26-T40 PolarHBondContact O-N 3.28Å; S26-T40 PolarHBondContact OG-O 2.77Å
27	G	96.7	Very high	91.4	Very high	50 Å²	50	86.4 Å²	86.4	52%	0.515	52%	0.515	S	S	.	.			trans	169.2	-177.5	-177.6	0	0	0	0	0	111.8
28	P	93.3	Very high	92.8	Very high	63 Å²	63	83.5 Å²	83.5	41%	0.409	50%	0.5	S	S	.	.			trans	-67.7	136.9	172.6	31.2	-34.3	0	0	0	109.5	V31 L37 S38	P28-V31 HydrophobicContact CB-CG2 3.72Å; P28-V31 HydrophobicContact CG-CG2 3.46Å; P28-V31 VanDerWaalsContact CG-CG2 3.46Å; P28-L37 HydrophobicContact CG-CD1 3.65Å; P28-S38 WeakPolarHBondContact CD-O 3.14Å
29	G	92.1	Very high	94.4	Very high	78 Å²	78	76.7 Å²	76.7	80%	0.804	46%	0.464	S	S	*	.	S	Bend	trans	-70.6	-50.5	-179.1	0	0	0	0	0	112.9
30	L	92.8	Very high	95.6	Very high	173 Å²	173	73.6 Å²	73.6	91%	0.906	44%	0.442	S	S	*	.			trans	-124.7	135.2	177.3	-64.1	174.6	0	0	0	109.2
31	V	95	Very high	96	Very high	43 Å²	43	66.8 Å²	66.8	26%	0.261	41%	0.41	S	S	.	.			trans	-131.9	137.1	178.2	-176	0	0	0	0	107.8	P28 Q35 L37 L104	P28-V31 HydrophobicContact CB-CG2 3.72Å; P28-V31 HydrophobicContact CG-CG2 3.46Å; P28-V31 VanDerWaalsContact CG-CG2 3.46Å; V31-Q35 HydrophobicContact CG1-CB 3.69Å; V31-L37 HydrophobicContact CG2-CD1 4.02Å; V31-L104 HydrophobicContact CB-CD1 3.69Å; V31-L104 HydrophobicContact CG1-CD1 3.43Å; V31-L104 VanDerWaalsContact CG1-CD1 3.43Å
32	A	92.9	Very high	96.3	Very high	47 Å²	47	66.5 Å²	66.5	39%	0.388	41%	0.409	S	S	.	.			trans	-70.6	153.8	-177.8	0	0	0	0	0	111	Q35	A32-Q35 HydrophobicContact CB-CG 4.16Å; A32-Q35 WeakPolarHBondContact O-CB 3.18Å; A32-Q35 PolarHBondContact O-N 3Å
33	P	93.7	Very high	96.4	Very high	80 Å²	80	61.8 Å²	61.8	52%	0.519	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	152.9	170	-25.5	34.8	0	0	0	112.2	Q35	P33-Q35 PolarHBondContact O-N 2.79Å
34	S	94.5	Very high	96.3	Very high	101 Å²	101	61.5 Å²	61.5	71%	0.706	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	-7.2	-176.5	-49.7	0	0	0	0	116.2	L104	S34-L104 PolarHBondContact N-O 2.94Å
35	Q	96.3	Very high	96.1	Very high	106 Å²	106	55.7 Å²	55.7	50%	0.495	37%	0.372	S	S	.	.	S	Bend	trans	-82	-179.7	171	-60.3	-176.2	-24.1	0	0	111.3	V31 A32 P33 S103 L104	V31-Q35 HydrophobicContact CG1-CB 3.69Å; A32-Q35 HydrophobicContact CB-CG 4.16Å; A32-Q35 WeakPolarHBondContact O-CB 3.18Å; A32-Q35 PolarHBondContact O-N 3Å; P33-Q35 PolarHBondContact O-N 2.79Å; Q35-S103 PolarHBondContact O-N 3.2Å; Q35-L104 WeakPolarHBondContact O-CG 3.09Å; Q35-L104 PolarHBondContact O-N 3.07Å
36	S	96.8	Very high	95.9	Very high	54 Å²	54	53.6 Å²	53.6	38%	0.378	36%	0.362	S	S	.	.			trans	-105.8	134.3	175	-60.8	0	0	0	0	111.1	M101 N102	S36-M101 CarbonylContact C-O 3.53Å; S36-M101 WeakPolarHBondContact CA-O 3.36Å; S36-N102 PolarHBondContact OG-OD1 3.49Å
37	L	96.6	Very high	95.9	Very high	15 Å²	15	53.4 Å²	53.4	8%	0.079	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	136.5	168.3	175.8	63.4	0	0	0	109.3	P28 V31 I39 K100 M101 L104 Y112	P28-L37 HydrophobicContact CG-CD1 3.65Å; V31-L37 HydrophobicContact CG2-CD1 4.02Å; L37-I39 HydrophobicContact CD1-CG2 3.61Å; L37-I39 HydrophobicContact CD2-CG2 4.17Å; L37-I39 HydrophobicContact CG-CG2 3.85Å; L37-K100 CarbonylContact O-C 3.53Å; L37-K100 VanDerWaalsContact O-CA 3.28Å; L37-K100 WeakPolarHBondContact O-CA 3.42Å; L37-M101 HydrophobicContact CB-CB 4.34Å; L37-M101 PolarHBondContact N-O 3.03Å; L37-M101 PolarHBondContact O-N 3.04Å; L37-L104 HydrophobicContact CB-CD1 3.84Å; L37-L104 HydrophobicContact CB-CD2 3.89Å; L37-L104 HydrophobicContact CB-CG 4.23Å; L37-Y112 HydrophobicContact CD2-CD2 4.4Å; L37-Y112 HydrophobicContact CD2-CE1 4.23Å; L37-Y112 HydrophobicContact CD2-CE2 3.98Å
38	S	97.8	Very high	95.9	Very high	65 Å²	65	51.2 Å²	51.2	46%	0.455	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	114.5	168.8	-66.3	0	0	0	0	109.2	P28 L99	P28-S38 WeakPolarHBondContact CD-O 3.14Å; S38-L99 WeakPolarHBondContact CA-O 3.4Å
39	I	98.4	Very high	96.1	Very high	14 Å²	14	52 Å²	52	7%	0.072	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	151.8	177.4	62.3	-179	0	0	0	110.5	S26 L37 W55 F98 L99 Y112	S26-I39 CarbonylContact O-C 3.48Å; S26-I39 WeakPolarHBondContact O-CA 3.35Å; L37-I39 HydrophobicContact CD1-CG2 3.61Å; L37-I39 HydrophobicContact CD2-CG2 4.17Å; L37-I39 HydrophobicContact CG-CG2 3.85Å; I39-W55 HydrophobicContact CB-CH2 4.24Å; I39-W55 HydrophobicContact CD1-CD2 4.35Å; I39-W55 HydrophobicContact CD1-CE3 3.69Å; I39-W55 HydrophobicContact CD1-CH2 3.68Å; I39-W55 HydrophobicContact CD1-CZ2 4.33Å; I39-W55 HydrophobicContact CD1-CZ3 3.33Å; I39-W55 HydrophobicContact CG1-CE3 4.38Å; I39-W55 HydrophobicContact CG1-CH2 3.67Å; I39-W55 HydrophobicContact CG1-CZ2 4Å; I39-W55 HydrophobicContact CG1-CZ3 3.89Å; I39-F98 WeakPolarHBondContact O-CA 3.25Å; I39-L99 HydrophobicContact CD1-CB 4.31Å; I39-L99 HydrophobicContact CD1-CD2 3.83Å; I39-L99 HydrophobicContact CG1-CB 3.74Å; I39-L99 HydrophobicContact CG1-CD2 4.15Å; I39-L99 HydrophobicContact CG1-CG 4.41Å; I39-L99 PolarHBondContact N-O 2.82Å; I39-L99 PolarHBondContact O-N 3.3Å; I39-Y112 VanDerWaalsContact CD1-CB 3.44Å; I39-Y112 HydrophobicContact CD1-CD1 3.7Å; I39-Y112 HydrophobicContact CD1-CG 3.73Å
40	T	98.8	Very high	96.3	Very high	26 Å²	26	52 Å²	52	16%	0.16	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.3	-175.8	-53.7	0	0	0	0	109.5	E25 S26 Q96 V97 F98	E25-T40 CarbonylContact C-O 3.53Å; E25-T40 WeakPolarHBondContact CA-O 3.33Å; S26-T40 PolarHBondContact N-O 2.83Å; S26-T40 PolarHBondContact O-N 3.28Å; S26-T40 PolarHBondContact OG-O 2.77Å; T40-Q96 HydrophobicContact CG2-CB 3.99Å; T40-Q96 HydrophobicContact CG2-CG 3.82Å; T40-V97 CarbonylContact C-O 3.49Å; T40-V97 WeakPolarHBondContact CA-O 3.45Å; T40-F98 HydrophobicContact CG2-CD1 3.78Å; T40-F98 HydrophobicContact CG2-CE1 3.53Å; T40-F98 HydrophobicContact CG2-CZ 4.28Å; T40-F98 VanDerWaalsContact OG1-CD1 3.27Å; T40-F98 WeakPolarHBondContact OG1-CD1 3.06Å; T40-F98 WeakPolarHBondContact OG1-CE1 3.38Å
41	C	98.7	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	115.9	169.2	177.9	0	0	0	0	108.6	K24 W55 Q96 V97 C114	K24-C41 WeakPolarHBondContact O-CA 3.41Å; C41-W55 HydrophobicContact CB-CH2 3.71Å; C41-W55 HydrophobicContact CB-CZ2 3.45Å; C41-W55 VanDerWaalsContact CB-CZ2 3.45Å; C41-Q96 CarbonylContact O-C 3.56Å; C41-Q96 VanDerWaalsContact O-CA 3.3Å; C41-Q96 WeakPolarHBondContact O-CA 3.48Å; C41-V97 HydrophobicContact CB-CB 4.41Å; C41-V97 PolarHBondContact N-O 3.34Å; C41-V97 PolarHBondContact O-N 3.35Å; C41-C114 HydrophobicContact CB-CB 3.43Å; C41-C114 VanDerWaalsContact CB-CB 3.43Å; C41-C114 WeakPolarHBondContact CB-SG 3.33Å; C41-C114 WeakPolarHBondContact SG-CB 3.41Å; C41-C114 CovalentContact SG-SG 2.02Å; C41-C114 PolarHBondContact SG-SG 3Å
42	T	98.6	Very high	96.7	Very high	48 Å²	48	47.2 Å²	47.2	29%	0.294	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.8	170.4	-54.9	0	0	0	0	108.7	K24 S95 Q96	K24-T42 PolarHBondContact N-O 3Å; K24-T42 PolarHBondContact O-N 3.04Å; T42-S95 WeakPolarHBondContact CA-O 3.35Å; T42-Q96 HydrophobicContact CG2-CG 4.34Å
43	V	98.1	Very high	96.9	Very high	5 Å²	5	45 Å²	45	3%	0.03	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	146.6	-177.1	-55	0	0	0	0	111.8	Q22 L23 F46 L48 V53 S95	Q22-V43 WeakPolarHBondContact O-CA 3.3Å; L23-V43 HydrophobicContact CD2-CG1 4.33Å; L23-V43 HydrophobicContact CG-CG1 4.41Å; V43-F46 HydrophobicContact CB-CD1 4.47Å; V43-F46 HydrophobicContact CB-CE1 3.65Å; V43-F46 HydrophobicContact CB-CE2 4.23Å; V43-F46 HydrophobicContact CB-CZ 3.53Å; V43-F46 HydrophobicContact CG1-CE1 4.06Å; V43-F46 HydrophobicContact CG1-CE2 4.38Å; V43-F46 HydrophobicContact CG1-CZ 3.56Å; V43-F46 HydrophobicContact CG2-CE1 4.3Å; V43-F46 HydrophobicContact CG2-CE2 4.12Å; V43-F46 HydrophobicContact CG2-CZ 3.92Å; V43-L48 HydrophobicContact CG1-CD2 4.4Å; V43-L48 HydrophobicContact CG2-CD1 4.22Å; V43-L48 HydrophobicContact CG2-CD2 3.65Å; V43-L48 HydrophobicContact CG2-CG 3.74Å; V43-V53 HydrophobicContact CG1-CG2 4.28Å; V43-S95 PolarHBondContact N-O 3.36Å; V43-S95 VanDerWaalsContact O-CB 3.26Å; V43-S95 WeakPolarHBondContact O-CB 3.47Å
44	S	96.4	Very high	97.2	Very high	48 Å²	48	43.2 Å²	43.2	34%	0.336	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	163.3	170.2	67.3	0	0	0	0	111.1	V21 Q22 F46	V21-S44 WeakPolarHBondContact CA-O 3.37Å; Q22-S44 WeakPolarHBondContact CB-OG 3.33Å; Q22-S44 PolarHBondContact N-O 3.46Å; Q22-S44 PolarHBondContact O-N 3.38Å; S44-F46 PolarHBondContact O-N 3.19Å
45	G	94.8	Very high	97.4	Very high	29 Å²	29	38.4 Å²	38.4	30%	0.299	23%	0.229	S	C	.	.	S	Bend	trans	77.4	2	-174.2	0	0	0	0	0	114.7	S19	S19-G45 WeakPolarHBondContact OG-CA 2.93Å
46	F	94.6	Very high	97.5	Very high	25 Å²	25	34.5 Å²	34.5	11%	0.11	21%	0.212	C	C	.	.	S	Bend	trans	-156.5	166.2	169	69.3	-82.7	0	0	0	111.5	V21 L23 V43 S44 L48 Y51 V53 R116	V21-F46 HydrophobicContact CG1-CD1 3.79Å; V21-F46 HydrophobicContact CG1-CE1 3.85Å; V21-F46 HydrophobicContact CG2-CD1 4.33Å; L23-F46 HydrophobicContact CG-CE1 4.45Å; V43-F46 HydrophobicContact CB-CD1 4.47Å; V43-F46 HydrophobicContact CB-CE1 3.65Å; V43-F46 HydrophobicContact CB-CE2 4.23Å; V43-F46 HydrophobicContact CB-CZ 3.53Å; V43-F46 HydrophobicContact CG1-CE1 4.06Å; V43-F46 HydrophobicContact CG1-CE2 4.38Å; V43-F46 HydrophobicContact CG1-CZ 3.56Å; V43-F46 HydrophobicContact CG2-CE1 4.3Å; V43-F46 HydrophobicContact CG2-CE2 4.12Å; V43-F46 HydrophobicContact CG2-CZ 3.92Å; S44-F46 PolarHBondContact O-N 3.19Å; F46-L48 HydrophobicContact CE2-CD2 4.18Å; F46-Y51 HydrophobicContact CB-CD2 3.93Å; F46-Y51 HydrophobicContact CB-CE2 4.19Å; F46-Y51 AromaticContact CD2-CD2 3.87Å; F46-Y51 HydrophobicContact CD2-CD2 3.87Å; F46-Y51 HydrophobicContact CD2-CG 4.14Å; F46-Y51 HydrophobicContact CG-CD2 4.3Å; F46-V53 HydrophobicContact CE2-CG2 4.2Å; F46-V53 HydrophobicContact CZ-CG2 4.24Å; F46-R116 VanDerWaalsContact CD2-CD 3.48Å; F46-R116 HydrophobicContact CD2-CG 4.09Å; F46-R116 HydrophobicContact CE1-CB 4.17Å; F46-R116 HydrophobicContact CE1-CG 4.25Å; F46-R116 HydrophobicContact CE2-CB 4.27Å; F46-R116 HydrophobicContact CE2-CG 3.7Å; F46-R116 VanDerWaalsContact CG-CD 3.49Å; F46-R116 HydrophobicContact CZ-CB 3.82Å; F46-R116 HydrophobicContact CZ-CG 3.77Å
47	S	96.1	Very high	97.5	Very high	51 Å²	51	32.3 Å²	32.3	36%	0.357	20%	0.196	S	C	.	.			trans	-101.4	137.5	176.5	-177	0	0	0	0	112.4	T49 S50 Y51	S47-T49 PolarHBondContact O-N 2.85Å; S47-T49 PolarHBondContact OG-N 2.78Å; S47-T49 PolarHBondContact OG-OG1 3.38Å; S47-S50 PolarHBondContact O-N 2.81Å; S47-Y51 PolarHBondContact O-N 2.77Å; S47-Y51 VanDerWaalsContact O-N 3.15Å
48	L	98	Very high	97.6	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-9.4	171.4	-66	179.5	0	0	0	113.9	V43 F46 S50 V53 K90 N92 V97	V43-L48 HydrophobicContact CG1-CD2 4.4Å; V43-L48 HydrophobicContact CG2-CD1 4.22Å; V43-L48 HydrophobicContact CG2-CD2 3.65Å; V43-L48 HydrophobicContact CG2-CG 3.74Å; F46-L48 HydrophobicContact CE2-CD2 4.18Å; L48-S50 VanDerWaalsContact C-N 3.35Å; L48-V53 HydrophobicContact CD2-CG2 3.46Å; L48-V53 VanDerWaalsContact CD2-CG2 3.46Å; L48-K90 HydrophobicContact CD1-CB 4.43Å; L48-K90 PolarHBondContact O-NZ 2.83Å; L48-N92 WeakPolarHBondContact CB-OD1 3.38Å; L48-V97 HydrophobicContact CD1-CG2 3.88Å; L48-V97 HydrophobicContact CD2-CG2 3.69Å; L48-V97 HydrophobicContact CG-CG2 4.47Å
49	T	97.5	Very high	97.5	Very high	81 Å²	81	32.7 Å²	32.7	50%	0.497	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-10.7	170.3	62.2	0	0	0	0	112.7	S47 S72 N92	S47-T49 PolarHBondContact O-N 2.85Å; S47-T49 PolarHBondContact OG-N 2.78Å; S47-T49 PolarHBondContact OG-OG1 3.38Å; T49-S72 WeakPolarHBondContact O-CB 3.42Å; T49-N92 HydrophobicContact CG2-CB 4.45Å; T49-N92 WeakPolarHBondContact CG2-ND2 3.35Å
50	S	96.4	Very high	97.4	Very high	76 Å²	76	36.8 Å²	36.8	53%	0.531	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-22.4	-177.5	-56.9	0	0	0	0	112.9	S47 L48	S47-S50 PolarHBondContact O-N 2.81Å; L48-S50 VanDerWaalsContact C-N 3.35Å
51	Y	97	Very high	97.4	Very high	111 Å²	111	40 Å²	40	44%	0.435	26%	0.257	S	S	.	.			trans	-133.5	152	-178.4	-63.3	-87.1	0	0	0	111.6	F46 S47 R116	F46-Y51 HydrophobicContact CB-CD2 3.93Å; F46-Y51 HydrophobicContact CB-CE2 4.19Å; F46-Y51 AromaticContact CD2-CD2 3.87Å; F46-Y51 HydrophobicContact CD2-CD2 3.87Å; F46-Y51 HydrophobicContact CD2-CG 4.14Å; F46-Y51 HydrophobicContact CG-CD2 4.3Å; S47-Y51 PolarHBondContact O-N 2.77Å; S47-Y51 VanDerWaalsContact O-N 3.15Å; Y51-R116 HydrophobicContact CD1-CG 4.13Å; Y51-R116 HydrophobicContact CG-CG 4.02Å
52	G	98	Very high	97.3	Very high	6 Å²	6	46.9 Å²	46.9	6%	0.062	29%	0.287	C	S	.	.			trans	-79.8	167.1	166.5	0	0	0	0	0	111.7	I70	G52-I70 CarbonylContact C-O 3.59Å; G52-I70 WeakPolarHBondContact CA-O 3.47Å
53	V	98.8	Very high	97.2	Very high	1 Å²	1	47 Å²	47	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	126	170.7	177.2	0	0	0	0	109	V43 F46 L48 V69 I70 V97 C114 A115	V43-V53 HydrophobicContact CG1-CG2 4.28Å; F46-V53 HydrophobicContact CE2-CG2 4.2Å; F46-V53 HydrophobicContact CZ-CG2 4.24Å; L48-V53 HydrophobicContact CD2-CG2 3.46Å; L48-V53 VanDerWaalsContact CD2-CG2 3.46Å; V53-V69 WeakPolarHBondContact O-CA 2.95Å; V53-I70 PolarHBondContact N-O 2.96Å; V53-I70 PolarHBondContact O-N 3.42Å; V53-I70 VanDerWaalsContact O-N 3.1Å; V53-V97 HydrophobicContact CB-CB 4.4Å; V53-V97 HydrophobicContact CB-CG1 4.33Å; V53-V97 HydrophobicContact CB-CG2 3.87Å; V53-V97 HydrophobicContact CG1-CB 4.24Å; V53-V97 HydrophobicContact CG1-CG1 4.27Å; V53-V97 HydrophobicContact CG1-CG2 4.16Å; V53-V97 HydrophobicContact CG2-CG2 3.85Å; V53-C114 HydrophobicContact CG1-CB 3.94Å; V53-A115 CarbonylContact C-O 3.56Å; V53-A115 WeakPolarHBondContact CA-O 3.28Å
54	H	98.7	Very high	97.1	Very high	41 Å²	41	52.5 Å²	52.5	19%	0.19	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	145.9	176.4	-61.9	-108.7	0	0	0	109.7	W66 V68 V69 C114 A115	H54-W66 AromaticContact CG-NE1 3.92Å; H54-W66 AromaticContact ND1-CD1 3.83Å; H54-W66 AromaticContact ND1-NE1 3.13Å; H54-W66 PolarHBondContact ND1-NE1 2.87Å; H54-W66 VanDerWaalsContact ND1-NE1 3.13Å; H54-V68 CarbonylContact C-O 3.51Å; H54-V68 WeakPolarHBondContact CA-O 2.97Å; H54-V69 WeakPolarHBondContact NE2-CG2 3.28Å; H54-C114 CarbonylContact O-C 3.54Å; H54-C114 WeakPolarHBondContact O-CA 3.3Å; H54-A115 HydrophobicContact CB-CB 4.44Å; H54-A115 PolarHBondContact N-O 3.41Å; H54-A115 PolarHBondContact O-N 2.84Å
55	W	98.7	Very high	97.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	134.6	162	-78.2	99.2	0	0	0	109.8	E25 I39 C41 L67 V68 L99 C114	E25-W55 HydrophobicContact CG-CH2 4.09Å; E25-W55 HydrophobicContact CG-CZ3 3.9Å; I39-W55 HydrophobicContact CB-CH2 4.24Å; I39-W55 HydrophobicContact CD1-CD2 4.35Å; I39-W55 HydrophobicContact CD1-CE3 3.69Å; I39-W55 HydrophobicContact CD1-CH2 3.68Å; I39-W55 HydrophobicContact CD1-CZ2 4.33Å; I39-W55 HydrophobicContact CD1-CZ3 3.33Å; I39-W55 HydrophobicContact CG1-CE3 4.38Å; I39-W55 HydrophobicContact CG1-CH2 3.67Å; I39-W55 HydrophobicContact CG1-CZ2 4Å; I39-W55 HydrophobicContact CG1-CZ3 3.89Å; C41-W55 HydrophobicContact CB-CH2 3.71Å; C41-W55 HydrophobicContact CB-CZ2 3.45Å; C41-W55 VanDerWaalsContact CB-CZ2 3.45Å; W55-L67 HydrophobicContact CB-CB 4.34Å; W55-L67 HydrophobicContact CB-CD1 4.48Å; W55-L67 WeakPolarHBondContact O-CB 3.41Å; W55-L67 PolarHBondContact O-N 2.66Å; W55-V68 HydrophobicContact CB-CG1 4.04Å; W55-V68 PolarHBondContact N-O 2.72Å; W55-L99 HydrophobicContact CB-CD1 4.42Å; W55-L99 HydrophobicContact CB-CD2 3.97Å; W55-L99 HydrophobicContact CD2-CB 3.95Å; W55-L99 HydrophobicContact CD2-CD2 4.02Å; W55-L99 HydrophobicContact CE3-CD2 4.35Å; W55-L99 HydrophobicContact CG-CB 3.98Å; W55-L99 HydrophobicContact CG-CD1 4.26Å; W55-L99 HydrophobicContact CG-CD2 3.87Å; W55-L99 HydrophobicContact CG-CG 4.27Å; W55-L99 HydrophobicContact CZ2-CB 4.22Å; W55-C114 HydrophobicContact CD2-CB 4.21Å; W55-C114 HydrophobicContact CE3-CB 4.08Å; W55-C114 HydrophobicContact CH2-CB 4.17Å; W55-C114 HydrophobicContact CZ2-CB 4.3Å; W55-C114 HydrophobicContact CZ3-CB 4.04Å
56	V	98.4	Very high	97.4	Very high	24 Å²	24	55.4 Å²	55.4	15%	0.145	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.1	179.9	-177.5	0	0	0	0	107.4	L64 E65 Y113	V56-L64 HydrophobicContact CG1-CB 3.79Å; V56-L64 HydrophobicContact CG1-CD2 3.75Å; V56-L64 HydrophobicContact CG1-CG 4.26Å; V56-E65 WeakPolarHBondContact CA-O 3.21Å; V56-E65 WeakPolarHBondContact CG1-O 3.4Å; V56-Y113 PolarHBondContact N-O 2.67Å; V56-Y113 PolarHBondContact O-N 3.36Å; V56-Y113 VanDerWaalsContact O-O 3.1Å
57	R	97.4	Very high	97.5	Very high	9 Å²	9	54.2 Å²	54.2	3%	0.034	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	155.6	170.5	71.6	178	-178.3	-175.9	2	111.8	E65 L67 D108 A110 M111 Y112	R57-E65 HydrophobicContact CG-CB 4.07Å; R57-E65 IonicContact CZ-OE2 3.48Å; R57-E65 PolarHBondContact N-O 2.78Å; R57-E65 IonicContact NE-OE2 3.38Å; R57-E65 PolarHBondContact NE-OE2 3.44Å; R57-E65 IonicContact NH2-OE1 2.78Å; R57-E65 IonicContact NH2-OE2 2.66Å; R57-E65 PolarHBondContact NH2-OE2 2.87Å; R57-E65 PolarHBondContact O-N 2.69Å; R57-L67 HydrophobicContact CB-CD1 4.11Å; R57-L67 HydrophobicContact CG-CD1 4.24Å; R57-L67 HydrophobicContact CG-CD2 3.91Å; R57-L67 HydrophobicContact CG-CG 4.26Å; R57-D108 IonicContact CZ-OD1 3.57Å; R57-D108 IonicContact NH1-OD1 3.36Å; R57-D108 PolarHBondContact NH1-OD1 3.1Å; R57-A110 HydrophobicContact CB-CB 3.84Å; R57-A110 HydrophobicContact CG-CB 4.19Å; R57-M111 CarbonylContact C-O 3.42Å; R57-M111 WeakPolarHBondContact CA-O 3.4Å; R57-Y112 HydrophobicContact CB-CD1 3.92Å; R57-Y112 HydrophobicContact CB-CE1 3.95Å; R57-Y112 HydrophobicContact CB-CG 4.23Å
58	Q	97.9	Very high	97.7	Very high	78 Å²	78	51.8 Å²	51.8	36%	0.364	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	99	174.7	-166.5	176.9	19.6	0	0	109.6	L64 A110 M111 Y113	Q58-L64 HydrophobicContact CB-CD2 3.89Å; Q58-L64 HydrophobicContact CG-CD2 4.22Å; Q58-A110 WeakPolarHBondContact O-CA 3.27Å; Q58-A110 WeakPolarHBondContact O-CB 3.28Å; Q58-M111 PolarHBondContact N-O 3.36Å; Q58-M111 PolarHBondContact O-N 2.77Å; Q58-Y113 HydrophobicContact CB-CE2 3.92Å
59	P	97	Very high	97.7	Very high	10 Å²	10	51.7 Å²	51.7	7%	0.065	30%	0.301	C	S	.	.			trans	-65.2	149.6	172.5	-17.9	31	0	0	0	111.1	G61 K62 A110	P59-G61 PolarHBondContact O-N 3.31Å; P59-K62 HydrophobicContact CB-CB 4.05Å; P59-K62 HydrophobicContact CB-CD 3.99Å; P59-K62 HydrophobicContact CB-CG 4.22Å; P59-K62 HydrophobicContact CG-CB 4.32Å; P59-K62 HydrophobicContact CG-CD 4.3Å; P59-K62 PolarHBondContact O-N 2.93Å; P59-A110 HydrophobicContact CB-CB 4.42Å; P59-A110 HydrophobicContact CG-CB 4.28Å
60	P	96.5	Very high	97.8	Very high	100 Å²	100	48.3 Å²	48.3	65%	0.649	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	128.2	177.6	-25.6	33.4	0	0	0	112	K62 T109	P60-K62 PolarHBondContact O-N 2.02Å; P60-T109 WeakPolarHBondContact CD-O 3.37Å
61	G	97.3	Very high	97.9	Very high	94 Å²	94	49.4 Å²	49.4	97%	0.969	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	8.9	179.9	0	0	0	0	0	115.3	P59	P59-G61 PolarHBondContact O-N 3.31Å
62	K	96.5	Very high	97.9	Very high	143 Å²	143	46.5 Å²	46.5	62%	0.622	27%	0.268	S	S	*	.	S	Bend	trans	-118.4	168.2	177.3	-59.2	-170.3	-175.1	174.7	0	111.6	P59 P60	P59-K62 HydrophobicContact CB-CB 4.05Å; P59-K62 HydrophobicContact CB-CD 3.99Å; P59-K62 HydrophobicContact CB-CG 4.22Å; P59-K62 HydrophobicContact CG-CB 4.32Å; P59-K62 HydrophobicContact CG-CD 4.3Å; P59-K62 PolarHBondContact O-N 2.93Å; P60-K62 PolarHBondContact O-N 2.02Å
63	G	96.5	Very high	97.9	Very high	52 Å²	52	52.1 Å²	52.1	54%	0.536	30%	0.297	S	S	.	.			trans	-72.7	178.6	172.9	0	0	0	0	0	113.2
64	L	97.6	Very high	97.9	Very high	119 Å²	119	53.8 Å²	53.8	62%	0.623	31%	0.314	S	S	*	.			trans	-69.4	135.6	172.4	-67.8	169.6	0	0	0	110.6	V56 Q58 Y113	V56-L64 HydrophobicContact CG1-CB 3.79Å; V56-L64 HydrophobicContact CG1-CD2 3.75Å; V56-L64 HydrophobicContact CG1-CG 4.26Å; Q58-L64 HydrophobicContact CB-CD2 3.89Å; Q58-L64 HydrophobicContact CG-CD2 4.22Å; L64-Y113 HydrophobicContact CD2-CD2 4.39Å
65	E	97.7	Very high	97.8	Very high	56 Å²	56	54.4 Å²	54.4	26%	0.262	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	117.9	174.6	-176.7	-179.1	-169.2	0	0	109.2	V56 R57	V56-E65 WeakPolarHBondContact CA-O 3.21Å; V56-E65 WeakPolarHBondContact CG1-O 3.4Å; R57-E65 HydrophobicContact CG-CB 4.07Å; R57-E65 IonicContact CZ-OE2 3.48Å; R57-E65 PolarHBondContact N-O 2.78Å; R57-E65 IonicContact NE-OE2 3.38Å; R57-E65 PolarHBondContact NE-OE2 3.44Å; R57-E65 IonicContact NH2-OE1 2.78Å; R57-E65 IonicContact NH2-OE2 2.66Å; R57-E65 PolarHBondContact NH2-OE2 2.87Å; R57-E65 PolarHBondContact O-N 2.69Å
66	W	98.3	Very high	97.8	Very high	83 Å²	83	57.2 Å²	57.2	31%	0.314	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	137.3	176.3	177.4	78.6	0	0	0	111.1	H54 V69 T77 Y78 N79	H54-W66 AromaticContact CG-NE1 3.92Å; H54-W66 AromaticContact ND1-CD1 3.83Å; H54-W66 AromaticContact ND1-NE1 3.13Å; H54-W66 PolarHBondContact ND1-NE1 2.87Å; H54-W66 VanDerWaalsContact ND1-NE1 3.13Å; W66-V69 HydrophobicContact CZ2-CB 4.09Å; W66-V69 HydrophobicContact CZ2-CG1 3.9Å; W66-T77 HydrophobicContact CH2-CG2 4.07Å; W66-T77 VanDerWaalsContact CH2-O 3.24Å; W66-T77 WeakPolarHBondContact CH2-O 3.43Å; W66-T77 WeakPolarHBondContact CZ2-O 3.41Å; W66-Y78 VanDerWaalsContact CZ3-C 3.46Å; W66-N79 HydrophobicContact CE3-CB 3.94Å; W66-N79 HydrophobicContact CZ3-CB 3.97Å; W66-N79 WeakPolarHBondContact O-CB 3.34Å; W66-N79 PolarHBondContact O-ND2 2.82Å
67	L	98.4	Very high	97.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-57.8	-174.1	-59.1	-176.8	0	0	0	112.7	W55 R57 N79 L82 L86 L99 M101 Y112	W55-L67 HydrophobicContact CB-CB 4.34Å; W55-L67 HydrophobicContact CB-CD1 4.48Å; W55-L67 WeakPolarHBondContact O-CB 3.41Å; W55-L67 PolarHBondContact O-N 2.66Å; R57-L67 HydrophobicContact CB-CD1 4.11Å; R57-L67 HydrophobicContact CG-CD1 4.24Å; R57-L67 HydrophobicContact CG-CD2 3.91Å; R57-L67 HydrophobicContact CG-CG 4.26Å; L67-N79 VanDerWaalsContact O-CB 3.29Å; L67-N79 WeakPolarHBondContact O-CB 3.46Å; L67-N79 PolarHBondContact O-N 2.82Å; L67-L82 HydrophobicContact CD2-CD1 3.35Å; L67-L86 HydrophobicContact CB-CD1 3.97Å; L67-L99 HydrophobicContact CD1-CD2 3.96Å; L67-M101 HydrophobicContact CD1-CE 4.31Å; L67-Y112 HydrophobicContact CD1-CD1 3.82Å; L67-Y112 HydrophobicContact CD1-CE1 3.62Å
68	V	98.7	Very high	97.9	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	155	-170.8	56.3	0	0	0	0	110.2	H54 W55 T77 Y78 L86 I88 L99	H54-V68 CarbonylContact C-O 3.51Å; H54-V68 WeakPolarHBondContact CA-O 2.97Å; W55-V68 HydrophobicContact CB-CG1 4.04Å; W55-V68 PolarHBondContact N-O 2.72Å; V68-T77 CarbonylContact C-O 3.55Å; V68-T77 VanDerWaalsContact CA-O 3.28Å; V68-T77 WeakPolarHBondContact CA-O 3.27Å; V68-T77 WeakPolarHBondContact CG2-O 3.48Å; V68-Y78 HydrophobicContact CB-CD1 3.88Å; V68-Y78 HydrophobicContact CB-CE1 4.26Å; V68-Y78 HydrophobicContact CB-CG 4.48Å; V68-Y78 HydrophobicContact CG2-CD1 3.45Å; V68-Y78 VanDerWaalsContact CG2-CD1 3.45Å; V68-Y78 HydrophobicContact CG2-CD2 4.41Å; V68-Y78 HydrophobicContact CG2-CE1 3.51Å; V68-Y78 HydrophobicContact CG2-CE2 4.45Å; V68-Y78 HydrophobicContact CG2-CG 3.94Å; V68-L86 HydrophobicContact CB-CD1 4.48Å; V68-I88 HydrophobicContact CG1-CB 4.31Å; V68-I88 HydrophobicContact CG1-CD1 3.98Å; V68-I88 HydrophobicContact CG2-CB 3.92Å; V68-I88 HydrophobicContact CG2-CD1 4.03Å; V68-I88 HydrophobicContact CG2-CG2 3.54Å; V68-L99 HydrophobicContact CG1-CD1 3.4Å
69	V	98.7	Very high	97.9	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.006	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.9	168.7	64.5	0	0	0	0	110	V53 H54 W66 W71 T76 T77	V53-V69 WeakPolarHBondContact O-CA 2.95Å; H54-V69 WeakPolarHBondContact NE2-CG2 3.28Å; W66-V69 HydrophobicContact CZ2-CB 4.09Å; W66-V69 HydrophobicContact CZ2-CG1 3.9Å; V69-W71 HydrophobicContact CG1-CD2 4.4Å; V69-W71 HydrophobicContact CG1-CZ2 3.81Å; V69-W71 HydrophobicContact CG2-CD2 4.06Å; V69-W71 HydrophobicContact CG2-CE3 4.28Å; V69-W71 HydrophobicContact CG2-CH2 4.4Å; V69-W71 HydrophobicContact CG2-CZ2 4.2Å; V69-W71 HydrophobicContact CG2-CZ3 4.43Å; V69-T76 VanDerWaalsContact O-CA 3.27Å; V69-T76 WeakPolarHBondContact O-CA 3.41Å; V69-T77 PolarHBondContact N-O 2.78Å; V69-T77 PolarHBondContact O-N 3.38Å; V69-T77 VanDerWaalsContact O-N 3.1Å
70	I	98.8	Very high	97.9	Very high	10 Å²	10	64.3 Å²	64.3	5%	0.051	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.1	161.5	-172	163.9	0	0	0	108.4	G52 V53 S75 T76 I88 K90 V97	G52-I70 CarbonylContact C-O 3.59Å; G52-I70 WeakPolarHBondContact CA-O 3.47Å; V53-I70 PolarHBondContact N-O 2.96Å; V53-I70 PolarHBondContact O-N 3.42Å; V53-I70 VanDerWaalsContact O-N 3.1Å; I70-S75 WeakPolarHBondContact CA-O 3.22Å; I70-T76 HydrophobicContact CB-CG2 4.17Å; I70-T76 HydrophobicContact CD1-CG2 4.2Å; I70-T76 HydrophobicContact CG1-CG2 3.96Å; I70-I88 HydrophobicContact CB-CD1 3.73Å; I70-I88 HydrophobicContact CB-CG1 4.05Å; I70-I88 HydrophobicContact CB-CG2 4.22Å; I70-I88 HydrophobicContact CG2-CD1 3.57Å; I70-I88 HydrophobicContact CG2-CG1 3.95Å; I70-K90 HydrophobicContact CD1-CB 4.09Å; I70-K90 HydrophobicContact CD1-CD 3.95Å; I70-K90 HydrophobicContact CD1-CG 3.75Å; I70-K90 HydrophobicContact CG1-CD 4.1Å; I70-K90 HydrophobicContact CG1-CG 4.45Å; I70-K90 HydrophobicContact CG2-CB 4.4Å; I70-K90 HydrophobicContact CG2-CD 4.37Å; I70-V97 HydrophobicContact CG2-CG1 3.75Å; I70-V97 HydrophobicContact CG2-CG2 4.5Å
71	W	98.5	Very high	97.9	Very high	100 Å²	100	63 Å²	63	38%	0.379	39%	0.385	S	S	.	.			trans	-81.9	171.5	-176.9	-63	107.7	0	0	0	111.6	V69 D73 G74 S75 T77 K90	V69-W71 HydrophobicContact CG1-CD2 4.4Å; V69-W71 HydrophobicContact CG1-CZ2 3.81Å; V69-W71 HydrophobicContact CG2-CD2 4.06Å; V69-W71 HydrophobicContact CG2-CE3 4.28Å; V69-W71 HydrophobicContact CG2-CH2 4.4Å; V69-W71 HydrophobicContact CG2-CZ2 4.2Å; V69-W71 HydrophobicContact CG2-CZ3 4.43Å; W71-D73 VanDerWaalsContact C-N 3.28Å; W71-D73 WeakPolarHBondContact CB-OD1 3.44Å; W71-D73 PolarHBondContact O-N 2.87Å; W71-G74 PolarHBondContact O-N 2.99Å; W71-S75 PolarHBondContact N-O 2.97Å; W71-T77 PolarHBondContact NE1-OG1 2.84Å; W71-K90 PolarHBondContact O-NZ 2.86Å
72	S	97.9	Very high	97.8	Very high	50 Å²	50	59 Å²	59	35%	0.35	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-36.5	-179.9	49.7	0	0	0	0	113	T49 G74 K90	T49-S72 WeakPolarHBondContact O-CB 3.42Å; S72-G74 PolarHBondContact O-N 2.89Å; S72-K90 VanDerWaalsContact C-NZ 3.27Å; S72-K90 PolarHBondContact O-NZ 3.14Å
73	D	97.6	Very high	97.8	Very high	124 Å²	124	58.4 Å²	58.4	66%	0.663	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-6.2	175.2	68.8	-7.9	0	0	0	113.9	W71 S75	W71-D73 VanDerWaalsContact C-N 3.28Å; W71-D73 WeakPolarHBondContact CB-OD1 3.44Å; W71-D73 PolarHBondContact O-N 2.87Å; D73-S75 VanDerWaalsContact OD1-CB 3.28Å; D73-S75 WeakPolarHBondContact OD1-CB 3.3Å; D73-S75 PolarHBondContact OD1-N 3.35Å; D73-S75 PolarHBondContact OD1-OG 3.27Å; D73-S75 PolarHBondContact OD2-OG 2.88Å
74	G	98.1	Very high	97.9	Very high	35 Å²	35	61.3 Å²	61.3	36%	0.361	35%	0.351	S	S	.	.	S	Bend	trans	89	-2	-178.4	0	0	0	0	0	114.4	W71 S72	W71-G74 PolarHBondContact O-N 2.99Å; S72-G74 PolarHBondContact O-N 2.89Å
75	S	98.3	Very high	97.8	Very high	54 Å²	54	57 Å²	57	38%	0.378	33%	0.326	S	S	.	.			trans	-65.2	151.8	171.8	66.9	0	0	0	0	110.9	I70 W71 D73	I70-S75 WeakPolarHBondContact CA-O 3.22Å; W71-S75 PolarHBondContact N-O 2.97Å; D73-S75 VanDerWaalsContact OD1-CB 3.28Å; D73-S75 WeakPolarHBondContact OD1-CB 3.3Å; D73-S75 PolarHBondContact OD1-N 3.35Å; D73-S75 PolarHBondContact OD1-OG 3.27Å; D73-S75 PolarHBondContact OD2-OG 2.88Å
76	T	98.7	Very high	97.9	Very high	59 Å²	59	54.7 Å²	54.7	36%	0.362	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	140.6	-174.6	58.7	0	0	0	0	111.7	V69 I70 Y78 I88	V69-T76 VanDerWaalsContact O-CA 3.27Å; V69-T76 WeakPolarHBondContact O-CA 3.41Å; I70-T76 HydrophobicContact CB-CG2 4.17Å; I70-T76 HydrophobicContact CD1-CG2 4.2Å; I70-T76 HydrophobicContact CG1-CG2 3.96Å; T76-Y78 VanDerWaalsContact OG1-CE2 3.3Å; T76-Y78 WeakPolarHBondContact OG1-CE2 3.44Å; T76-I88 HydrophobicContact CG2-CG2 3.5Å
77	T	98.5	Very high	97.9	Very high	72 Å²	72	53.4 Å²	53.4	44%	0.442	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.7	172.2	-45.1	0	0	0	0	108.7	W66 V68 V69 W71	W66-T77 HydrophobicContact CH2-CG2 4.07Å; W66-T77 VanDerWaalsContact CH2-O 3.24Å; W66-T77 WeakPolarHBondContact CH2-O 3.43Å; W66-T77 WeakPolarHBondContact CZ2-O 3.41Å; V68-T77 CarbonylContact C-O 3.55Å; V68-T77 VanDerWaalsContact CA-O 3.28Å; V68-T77 WeakPolarHBondContact CA-O 3.27Å; V68-T77 WeakPolarHBondContact CG2-O 3.48Å; V69-T77 PolarHBondContact N-O 2.78Å; V69-T77 PolarHBondContact O-N 3.38Å; V69-T77 VanDerWaalsContact O-N 3.1Å; W71-T77 PolarHBondContact NE1-OG1 2.84Å
78	Y	98.6	Very high	97.9	Very high	55 Å²	55	54.1 Å²	54.1	22%	0.216	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	149.9	-175.3	-65.3	-97.9	0	0	0	111	W66 V68 T76 S80 K83 L86 I88	W66-Y78 VanDerWaalsContact CZ3-C 3.46Å; V68-Y78 HydrophobicContact CB-CD1 3.88Å; V68-Y78 HydrophobicContact CB-CE1 4.26Å; V68-Y78 HydrophobicContact CB-CG 4.48Å; V68-Y78 HydrophobicContact CG2-CD1 3.45Å; V68-Y78 VanDerWaalsContact CG2-CD1 3.45Å; V68-Y78 HydrophobicContact CG2-CD2 4.41Å; V68-Y78 HydrophobicContact CG2-CE1 3.51Å; V68-Y78 HydrophobicContact CG2-CE2 4.45Å; V68-Y78 HydrophobicContact CG2-CG 3.94Å; T76-Y78 VanDerWaalsContact OG1-CE2 3.3Å; T76-Y78 WeakPolarHBondContact OG1-CE2 3.44Å; Y78-S80 PolarHBondContact O-N 2.84Å; Y78-K83 HydrophobicContact CD2-CG 4.45Å; Y78-K83 HydrophobicContact CG-CG 4.08Å; Y78-L86 HydrophobicContact CD1-CB 3.88Å; Y78-L86 HydrophobicContact CD1-CD1 4.49Å; Y78-L86 HydrophobicContact CE1-CB 4Å; Y78-I88 HydrophobicContact CE1-CG2 4.35Å
79	N	97.7	Very high	97.9	Very high	33 Å²	33	57.1 Å²	57.1	18%	0.176	34%	0.344	C	S	.	.			trans	-63.1	123.3	162.2	-178.4	-32.1	0	0	0	108.8	W66 L67 A81 L82 K83	W66-N79 HydrophobicContact CE3-CB 3.94Å; W66-N79 HydrophobicContact CZ3-CB 3.97Å; W66-N79 WeakPolarHBondContact O-CB 3.34Å; W66-N79 PolarHBondContact O-ND2 2.82Å; L67-N79 VanDerWaalsContact O-CB 3.29Å; L67-N79 WeakPolarHBondContact O-CB 3.46Å; L67-N79 PolarHBondContact O-N 2.82Å; N79-A81 PolarHBondContact O-N 2.84Å; N79-A81 WeakPolarHBondContact OD1-CB 3.26Å; N79-A81 PolarHBondContact OD1-N 3.06Å; N79-L82 PolarHBondContact O-N 3.44Å; N79-L82 VanDerWaalsContact O-N 3.14Å; N79-K83 WeakPolarHBondContact O-CB 3.43Å; N79-K83 PolarHBondContact O-N 2.87Å
80	S	97.3	Very high	97.8	Very high	110 Å²	110	59.2 Å²	59.2	77%	0.769	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-33.6	-175	50.7	0	0	0	0	113.2	Y78 L82	Y78-S80 PolarHBondContact O-N 2.84Å; S80-L82 VanDerWaalsContact C-N 3.31Å; S80-L82 PolarHBondContact O-N 3.37Å
81	A	95.7	Very high	97.8	Very high	73 Å²	73	60.6 Å²	60.6	60%	0.603	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-27.4	-179.3	0	0	0	0	0	113.3	N79	N79-A81 PolarHBondContact O-N 2.84Å; N79-A81 WeakPolarHBondContact OD1-CB 3.26Å; N79-A81 PolarHBondContact OD1-N 3.06Å
82	L	95.8	Very high	97.8	Very high	9 Å²	9	59.3 Å²	59.3	5%	0.047	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-5.9	-173.1	-61.8	172.2	0	0	0	113.2	L67 N79 S80 S84 R85 L86	L67-L82 HydrophobicContact CD2-CD1 3.35Å; N79-L82 PolarHBondContact O-N 3.44Å; N79-L82 VanDerWaalsContact O-N 3.14Å; S80-L82 VanDerWaalsContact C-N 3.31Å; S80-L82 PolarHBondContact O-N 3.37Å; L82-S84 PolarHBondContact O-N 2.79Å; L82-S84 VanDerWaalsContact O-N 3.07Å; L82-R85 VanDerWaalsContact CD2-NH2 3.31Å; L82-R85 PolarHBondContact O-N 2.88Å; L82-L86 HydrophobicContact CB-CD1 3.68Å; L82-L86 HydrophobicContact CB-CG 4.07Å; L82-L86 WeakPolarHBondContact O-CG 3.36Å; L82-L86 PolarHBondContact O-N 2.91Å
83	K	97.1	Very high	97.8	Very high	131 Å²	131	61.9 Å²	61.9	57%	0.57	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-37.7	-174.6	-177.8	176.4	179.7	-179.3	0	113.8	Y78 N79 R85	Y78-K83 HydrophobicContact CD2-CG 4.45Å; Y78-K83 HydrophobicContact CG-CG 4.08Å; N79-K83 WeakPolarHBondContact O-CB 3.43Å; N79-K83 PolarHBondContact O-N 2.87Å; K83-R85 PolarHBondContact O-N 2.82Å
84	S	97.3	Very high	97.8	Very high	113 Å²	113	61.8 Å²	61.8	79%	0.79	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-20	-178.8	57.7	0	0	0	0	113.9	L82	L82-S84 PolarHBondContact O-N 2.79Å; L82-S84 VanDerWaalsContact O-N 3.07Å
85	R	97.1	Very high	97.8	Very high	29 Å²	29	62.1 Å²	62.1	11%	0.109	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-16.9	-176	-57.9	-165.3	-63.3	127.9	-2.9	113.1	L82 K83 M101 N102 S103 D108	L82-R85 VanDerWaalsContact CD2-NH2 3.31Å; L82-R85 PolarHBondContact O-N 2.88Å; K83-R85 PolarHBondContact O-N 2.82Å; R85-M101 CarbonylContact O-C 3.55Å; R85-M101 WeakPolarHBondContact O-CA 3.47Å; R85-N102 PolarHBondContact O-N 2.8Å; R85-S103 PolarHBondContact NH1-O 3.3Å; R85-D108 IonicContact CZ-OD1 3.17Å; R85-D108 IonicContact CZ-OD2 3.76Å; R85-D108 IonicContact NH1-OD1 2.78Å; R85-D108 IonicContact NH1-OD2 2.69Å; R85-D108 PolarHBondContact NH1-OD2 3.35Å; R85-D108 IonicContact NH2-OD1 2.72Å; R85-D108 PolarHBondContact NH2-OD1 2.91Å; R85-D108 IonicContact NH2-OD2 3.56Å; R85-D108 PolarHBondContact NH2-OD2 2.6Å
86	L	98.2	Very high	97.8	Very high	7 Å²	7	61.9 Å²	61.9	4%	0.037	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	147.4	-175.4	-69.4	178.6	0	0	0	113	L67 V68 Y78 L82 L99 K100 M101	L67-L86 HydrophobicContact CB-CD1 3.97Å; V68-L86 HydrophobicContact CB-CD1 4.48Å; Y78-L86 HydrophobicContact CD1-CB 3.88Å; Y78-L86 HydrophobicContact CD1-CD1 4.49Å; Y78-L86 HydrophobicContact CE1-CB 4Å; L82-L86 HydrophobicContact CB-CD1 3.68Å; L82-L86 HydrophobicContact CB-CG 4.07Å; L82-L86 WeakPolarHBondContact O-CG 3.36Å; L82-L86 PolarHBondContact O-N 2.91Å; L86-L99 HydrophobicContact CD2-CD1 4Å; L86-K100 CarbonylContact C-O 3.55Å; L86-K100 WeakPolarHBondContact CA-O 3.32Å; L86-M101 HydrophobicContact CD2-CB 4.03Å; L86-M101 HydrophobicContact CD2-CE 3.29Å; L86-M101 HydrophobicContact CD2-CG 4.03Å; L86-M101 HydrophobicContact CD2-SD 4.49Å; L86-M101 HydrophobicContact CG-CE 4.31Å
87	S	98.3	Very high	97.8	Very high	56 Å²	56	59 Å²	59	39%	0.392	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	136	165.5	-55.7	0	0	0	0	109.2	K100	S87-K100 PolarHBondContact N-O 3.38Å; S87-K100 PolarHBondContact O-N 3.06Å
88	I	98.6	Very high	97.8	Very high	16 Å²	16	58.5 Å²	58.5	8%	0.082	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	144.1	178.1	-168.9	167.9	0	0	0	110.3	V68 I70 T76 Y78 V97 F98	V68-I88 HydrophobicContact CG1-CB 4.31Å; V68-I88 HydrophobicContact CG1-CD1 3.98Å; V68-I88 HydrophobicContact CG2-CB 3.92Å; V68-I88 HydrophobicContact CG2-CD1 4.03Å; V68-I88 HydrophobicContact CG2-CG2 3.54Å; I70-I88 HydrophobicContact CB-CD1 3.73Å; I70-I88 HydrophobicContact CB-CG1 4.05Å; I70-I88 HydrophobicContact CB-CG2 4.22Å; I70-I88 HydrophobicContact CG2-CD1 3.57Å; I70-I88 HydrophobicContact CG2-CG1 3.95Å; T76-I88 HydrophobicContact CG2-CG2 3.5Å; Y78-I88 HydrophobicContact CE1-CG2 4.35Å; I88-V97 HydrophobicContact CD1-CG1 3.96Å; I88-V97 HydrophobicContact CG1-CG1 3.99Å; I88-F98 WeakPolarHBondContact CA-O 3.32Å; I88-F98 WeakPolarHBondContact CG1-O 3.44Å
89	S	98.4	Very high	97.8	Very high	62 Å²	62	56 Å²	56	43%	0.434	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	164.1	170.8	60.9	0	0	0	0	110.6	V97 F98	S89-V97 CarbonylContact O-C 3.55Å; S89-V97 WeakPolarHBondContact O-CA 3.37Å; S89-F98 PolarHBondContact N-O 3.31Å; S89-F98 PolarHBondContact O-N 3.4Å
90	K	98.4	Very high	97.8	Very high	45 Å²	45	58.9 Å²	58.9	20%	0.196	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	148.8	175.3	70.4	-178.5	-174.3	177.9	0	111.9	L48 I70 W71 S72 Q96 V97	L48-K90 HydrophobicContact CD1-CB 4.43Å; L48-K90 PolarHBondContact O-NZ 2.83Å; I70-K90 HydrophobicContact CD1-CB 4.09Å; I70-K90 HydrophobicContact CD1-CD 3.95Å; I70-K90 HydrophobicContact CD1-CG 3.75Å; I70-K90 HydrophobicContact CG1-CD 4.1Å; I70-K90 HydrophobicContact CG1-CG 4.45Å; I70-K90 HydrophobicContact CG2-CB 4.4Å; I70-K90 HydrophobicContact CG2-CD 4.37Å; W71-K90 PolarHBondContact O-NZ 2.86Å; S72-K90 VanDerWaalsContact C-NZ 3.27Å; S72-K90 PolarHBondContact O-NZ 3.14Å; K90-Q96 CarbonylContact C-O 3.58Å; K90-Q96 VanDerWaalsContact CA-O 3.32Å; K90-Q96 WeakPolarHBondContact CA-O 3.24Å; K90-V97 HydrophobicContact CB-CG2 4.02Å
91	D	98.2	Very high	97.9	Very high	40 Å²	40	53.7 Å²	53.7	21%	0.214	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	102.6	171.6	-176.3	-18.3	0	0	0	108.2	S93 K94 S95 Q96 F98	D91-S93 VanDerWaalsContact C-N 3.26Å; D91-S93 PolarHBondContact O-N 3.42Å; D91-S93 WeakPolarHBondContact OD1-CB 3.37Å; D91-S93 PolarHBondContact OD1-N 3.38Å; D91-S93 PolarHBondContact OD1-OG 2.77Å; D91-K94 HydrophobicContact CB-CB 4.36Å; D91-K94 PolarHBondContact O-N 2.81Å; D91-K94 PolarHBondContact OD1-N 3.13Å; D91-K94 WeakPolarHBondContact OD2-CD 3.4Å; D91-K94 VanDerWaalsContact OD2-CE 3.24Å; D91-K94 WeakPolarHBondContact OD2-CE 3.45Å; D91-K94 WeakPolarHBondContact OD2-CG 3.29Å; D91-K94 IonicContact OD2-NZ 3.62Å; D91-K94 PolarHBondContact OD2-NZ 2.86Å; D91-S95 PolarHBondContact O-N 2.99Å; D91-S95 VanDerWaalsContact O-N 3.08Å; D91-Q96 PolarHBondContact N-O 3.08Å; D91-Q96 PolarHBondContact O-N 3.36Å; D91-F98 HydrophobicContact CB-CE2 3.94Å
92	N	97.8	Very high	97.9	Very high	72 Å²	72	52.4 Å²	52.4	39%	0.385	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-64.9	-31.1	-178.3	-64.8	-15.5	0	0	0	112	L48 T49 K94 S95	L48-N92 WeakPolarHBondContact CB-OD1 3.38Å; T49-N92 HydrophobicContact CG2-CB 4.45Å; T49-N92 WeakPolarHBondContact CG2-ND2 3.35Å; N92-K94 VanDerWaalsContact C-N 3.25Å; N92-K94 PolarHBondContact O-N 2.92Å; N92-S95 PolarHBondContact O-N 3.23Å
93	S	97.4	Very high	97.9	Very high	105 Å²	105	55.5 Å²	55.5	73%	0.734	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-70.1	-26.2	-178.5	73.2	0	0	0	0	112.4	D91	D91-S93 VanDerWaalsContact C-N 3.26Å; D91-S93 PolarHBondContact O-N 3.42Å; D91-S93 WeakPolarHBondContact OD1-CB 3.37Å; D91-S93 PolarHBondContact OD1-N 3.38Å; D91-S93 PolarHBondContact OD1-OG 2.77Å
94	K	98	Very high	97.9	Very high	121 Å²	121	50.1 Å²	50.1	53%	0.526	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-103.1	-1.9	178.1	-62.3	-179.3	-168.3	157.4	0	113.4	D91 N92 Q96	D91-K94 HydrophobicContact CB-CB 4.36Å; D91-K94 PolarHBondContact O-N 2.81Å; D91-K94 PolarHBondContact OD1-N 3.13Å; D91-K94 WeakPolarHBondContact OD2-CD 3.4Å; D91-K94 VanDerWaalsContact OD2-CE 3.24Å; D91-K94 WeakPolarHBondContact OD2-CE 3.45Å; D91-K94 WeakPolarHBondContact OD2-CG 3.29Å; D91-K94 IonicContact OD2-NZ 3.62Å; D91-K94 PolarHBondContact OD2-NZ 2.86Å; N92-K94 VanDerWaalsContact C-N 3.25Å; N92-K94 PolarHBondContact O-N 2.92Å; K94-Q96 HydrophobicContact CB-CB 4.27Å; K94-Q96 HydrophobicContact CB-CG 4.18Å; K94-Q96 WeakPolarHBondContact O-CG 3.19Å; K94-Q96 PolarHBondContact O-N 2.82Å
95	S	97.9	Very high	97.8	Very high	42 Å²	42	49.3 Å²	49.3	29%	0.294	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	45.2	-170.8	-58.1	0	0	0	0	112.3	T42 V43 D91 N92	T42-S95 WeakPolarHBondContact CA-O 3.35Å; V43-S95 PolarHBondContact N-O 3.36Å; V43-S95 VanDerWaalsContact O-CB 3.26Å; V43-S95 WeakPolarHBondContact O-CB 3.47Å; D91-S95 PolarHBondContact O-N 2.99Å; D91-S95 VanDerWaalsContact O-N 3.08Å; N92-S95 PolarHBondContact O-N 3.23Å
96	Q	98.7	Very high	97.6	Very high	49 Å²	49	53.4 Å²	53.4	23%	0.229	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.8	-175.2	-78.3	172.6	20.3	0	0	112.9	T40 C41 T42 K90 D91 K94 F98	T40-Q96 HydrophobicContact CG2-CB 3.99Å; T40-Q96 HydrophobicContact CG2-CG 3.82Å; C41-Q96 CarbonylContact O-C 3.56Å; C41-Q96 VanDerWaalsContact O-CA 3.3Å; C41-Q96 WeakPolarHBondContact O-CA 3.48Å; T42-Q96 HydrophobicContact CG2-CG 4.34Å; K90-Q96 CarbonylContact C-O 3.58Å; K90-Q96 VanDerWaalsContact CA-O 3.32Å; K90-Q96 WeakPolarHBondContact CA-O 3.24Å; D91-Q96 PolarHBondContact N-O 3.08Å; D91-Q96 PolarHBondContact O-N 3.36Å; K94-Q96 HydrophobicContact CB-CB 4.27Å; K94-Q96 HydrophobicContact CB-CG 4.18Å; K94-Q96 WeakPolarHBondContact O-CG 3.19Å; K94-Q96 PolarHBondContact O-N 2.82Å; Q96-F98 HydrophobicContact CB-CE1 4.34Å; Q96-F98 HydrophobicContact CB-CE2 3.91Å; Q96-F98 HydrophobicContact CB-CZ 3.68Å; Q96-F98 VanDerWaalsContact OE1-CZ 3.24Å
97	V	98.8	Very high	97.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.1	172.1	-177.7	0	0	0	0	108.7	T40 C41 L48 V53 I70 I88 S89 K90	T40-V97 CarbonylContact C-O 3.49Å; T40-V97 WeakPolarHBondContact CA-O 3.45Å; C41-V97 HydrophobicContact CB-CB 4.41Å; C41-V97 PolarHBondContact N-O 3.34Å; C41-V97 PolarHBondContact O-N 3.35Å; L48-V97 HydrophobicContact CD1-CG2 3.88Å; L48-V97 HydrophobicContact CD2-CG2 3.69Å; L48-V97 HydrophobicContact CG-CG2 4.47Å; V53-V97 HydrophobicContact CB-CB 4.4Å; V53-V97 HydrophobicContact CB-CG1 4.33Å; V53-V97 HydrophobicContact CB-CG2 3.87Å; V53-V97 HydrophobicContact CG1-CB 4.24Å; V53-V97 HydrophobicContact CG1-CG1 4.27Å; V53-V97 HydrophobicContact CG1-CG2 4.16Å; V53-V97 HydrophobicContact CG2-CG2 3.85Å; I70-V97 HydrophobicContact CG2-CG1 3.75Å; I70-V97 HydrophobicContact CG2-CG2 4.5Å; I88-V97 HydrophobicContact CD1-CG1 3.96Å; I88-V97 HydrophobicContact CG1-CG1 3.99Å; S89-V97 CarbonylContact O-C 3.55Å; S89-V97 WeakPolarHBondContact O-CA 3.37Å; K90-V97 HydrophobicContact CB-CG2 4.02Å
98	F	98.7	Very high	97.3	Very high	61 Å²	61	54.5 Å²	54.5	27%	0.268	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.5	-174.7	-53.6	-85.8	0	0	0	109.9	I39 T40 I88 S89 D91 Q96	I39-F98 WeakPolarHBondContact O-CA 3.25Å; T40-F98 HydrophobicContact CG2-CD1 3.78Å; T40-F98 HydrophobicContact CG2-CE1 3.53Å; T40-F98 HydrophobicContact CG2-CZ 4.28Å; T40-F98 VanDerWaalsContact OG1-CD1 3.27Å; T40-F98 WeakPolarHBondContact OG1-CD1 3.06Å; T40-F98 WeakPolarHBondContact OG1-CE1 3.38Å; I88-F98 WeakPolarHBondContact CA-O 3.32Å; I88-F98 WeakPolarHBondContact CG1-O 3.44Å; S89-F98 PolarHBondContact N-O 3.31Å; S89-F98 PolarHBondContact O-N 3.4Å; D91-F98 HydrophobicContact CB-CE2 3.94Å; Q96-F98 HydrophobicContact CB-CE1 4.34Å; Q96-F98 HydrophobicContact CB-CE2 3.91Å; Q96-F98 HydrophobicContact CB-CZ 3.68Å; Q96-F98 VanDerWaalsContact OE1-CZ 3.24Å
99	L	98.7	Very high	97.2	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.3	168.6	-178.4	72.4	0	0	0	108.8	S38 I39 W55 L67 V68 L86 Y112	S38-L99 WeakPolarHBondContact CA-O 3.4Å; I39-L99 HydrophobicContact CD1-CB 4.31Å; I39-L99 HydrophobicContact CD1-CD2 3.83Å; I39-L99 HydrophobicContact CG1-CB 3.74Å; I39-L99 HydrophobicContact CG1-CD2 4.15Å; I39-L99 HydrophobicContact CG1-CG 4.41Å; I39-L99 PolarHBondContact N-O 2.82Å; I39-L99 PolarHBondContact O-N 3.3Å; W55-L99 HydrophobicContact CB-CD1 4.42Å; W55-L99 HydrophobicContact CB-CD2 3.97Å; W55-L99 HydrophobicContact CD2-CB 3.95Å; W55-L99 HydrophobicContact CD2-CD2 4.02Å; W55-L99 HydrophobicContact CE3-CD2 4.35Å; W55-L99 HydrophobicContact CG-CB 3.98Å; W55-L99 HydrophobicContact CG-CD1 4.26Å; W55-L99 HydrophobicContact CG-CD2 3.87Å; W55-L99 HydrophobicContact CG-CG 4.27Å; W55-L99 HydrophobicContact CZ2-CB 4.22Å; L67-L99 HydrophobicContact CD1-CD2 3.96Å; V68-L99 HydrophobicContact CG1-CD1 3.4Å; L86-L99 HydrophobicContact CD2-CD1 4Å; L99-Y112 HydrophobicContact CD2-CD1 4.13Å; L99-Y112 HydrophobicContact CD2-CE1 4.34Å
100	K	98.2	Very high	97.1	Very high	94 Å²	94	56.3 Å²	56.3	41%	0.409	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.6	167.9	-168.6	177.9	-176.1	-176	0	109.5	L37 L86 S87 N102	L37-K100 CarbonylContact O-C 3.53Å; L37-K100 VanDerWaalsContact O-CA 3.28Å; L37-K100 WeakPolarHBondContact O-CA 3.42Å; L86-K100 CarbonylContact C-O 3.55Å; L86-K100 WeakPolarHBondContact CA-O 3.32Å; S87-K100 PolarHBondContact N-O 3.38Å; S87-K100 PolarHBondContact O-N 3.06Å; K100-N102 VanDerWaalsContact CE-OD1 3.25Å; K100-N102 WeakPolarHBondContact CE-OD1 3.37Å
101	M	97.8	Very high	97	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.3	172.7	-174.9	179.2	-78.1	0	0	108.6	S36 L37 L67 R85 L86 L104 D108 Y112	S36-M101 CarbonylContact C-O 3.53Å; S36-M101 WeakPolarHBondContact CA-O 3.36Å; L37-M101 HydrophobicContact CB-CB 4.34Å; L37-M101 PolarHBondContact N-O 3.03Å; L37-M101 PolarHBondContact O-N 3.04Å; L67-M101 HydrophobicContact CD1-CE 4.31Å; R85-M101 CarbonylContact O-C 3.55Å; R85-M101 WeakPolarHBondContact O-CA 3.47Å; L86-M101 HydrophobicContact CD2-CB 4.03Å; L86-M101 HydrophobicContact CD2-CE 3.29Å; L86-M101 HydrophobicContact CD2-CG 4.03Å; L86-M101 HydrophobicContact CD2-SD 4.49Å; L86-M101 HydrophobicContact CG-CE 4.31Å; M101-L104 HydrophobicContact CB-CD2 4.34Å; M101-L104 HydrophobicContact CG-CD2 4.02Å; M101-L104 HydrophobicContact SD-CD2 3.8Å; M101-D108 HydrophobicContact SD-CB 4.08Å; M101-Y112 HydrophobicContact CE-CE1 4.09Å
102	N	97.2	Very high	97	Very high	46 Å²	46	59.1 Å²	59.1	25%	0.246	32%	0.322	C	S	.	.			trans	-97.9	156.9	-178.6	-59.9	-53.4	0	0	0	111.4	S36 R85 K100	S36-N102 PolarHBondContact OG-OD1 3.49Å; R85-N102 PolarHBondContact O-N 2.8Å; K100-N102 VanDerWaalsContact CE-OD1 3.25Å; K100-N102 WeakPolarHBondContact CE-OD1 3.37Å
103	S	95.9	Very high	97	Very high	73 Å²	73	59.8 Å²	59.8	51%	0.51	32%	0.32	S	S	.	.	S	Bend	trans	51.9	59.5	177.1	-54.5	0	0	0	0	111.1	Q35 R85 Q105	Q35-S103 PolarHBondContact O-N 3.2Å; R85-S103 PolarHBondContact NH1-O 3.3Å; S103-Q105 PolarHBondContact O-N 2.92Å
104	L	96.5	Very high	97.1	Very high	18 Å²	18	55.2 Å²	55.2	9%	0.094	29%	0.288	C	S	.	.			trans	-56.1	136.5	179.6	-73.2	172.6	0	0	0	111	V31 S34 Q35 L37 M101 D108	V31-L104 HydrophobicContact CB-CD1 3.69Å; V31-L104 HydrophobicContact CG1-CD1 3.43Å; V31-L104 VanDerWaalsContact CG1-CD1 3.43Å; S34-L104 PolarHBondContact N-O 2.94Å; Q35-L104 WeakPolarHBondContact O-CG 3.09Å; Q35-L104 PolarHBondContact O-N 3.07Å; L37-L104 HydrophobicContact CB-CD1 3.84Å; L37-L104 HydrophobicContact CB-CD2 3.89Å; L37-L104 HydrophobicContact CB-CG 4.23Å; M101-L104 HydrophobicContact CB-CD2 4.34Å; M101-L104 HydrophobicContact CG-CD2 4.02Å; M101-L104 HydrophobicContact SD-CD2 3.8Å; L104-D108 WeakPolarHBondContact CA-OD2 3.49Å; L104-D108 HydrophobicContact CD2-CB 4.06Å
105	Q	95.5	Very high	97.1	Very high	97 Å²	97	51.4 Å²	51.4	45%	0.453	28%	0.279	S	S	.	.			trans	-113.5	160.9	177.3	-68.9	174.8	-14.5	0	0	108.6	S103 D107 D108	S103-Q105 PolarHBondContact O-N 2.92Å; Q105-D107 WeakPolarHBondContact CB-OD1 3.44Å; Q105-D107 PolarHBondContact O-N 3Å; Q105-D107 PolarHBondContact OE1-OD1 3.22Å; Q105-D108 PolarHBondContact N-OD2 2.98Å; Q105-D108 WeakPolarHBondContact O-CB 3.47Å; Q105-D108 PolarHBondContact O-N 3.15Å
106	T	93.4	Very high	96.9	Very high	114 Å²	114	55.5 Å²	55.5	70%	0.699	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-63.2	-29.5	-179.2	47.7	0	0	0	0	112.7	D108 T109	T106-D108 PolarHBondContact O-N 2.95Å; T106-T109 WeakPolarHBondContact O-CB 3.4Å; T106-T109 PolarHBondContact O-N 2.72Å; T106-T109 PolarHBondContact O-OG1 2.75Å
107	D	93.2	Very high	96.8	Very high	80 Å²	80	55.8 Å²	55.8	43%	0.428	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-71.4	-11.9	175.4	69.7	-24.4	0	0	0	113.6	Q105 T109	Q105-D107 WeakPolarHBondContact CB-OD1 3.44Å; Q105-D107 PolarHBondContact O-N 3Å; Q105-D107 PolarHBondContact OE1-OD1 3.22Å; D107-T109 PolarHBondContact O-N 3.18Å
108	D	96	Very high	96.7	Very high	6 Å²	6	58.7 Å²	58.7	3%	0.032	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-79.7	-4.8	173.2	-58.6	-43.7	0	0	0	113.3	R57 R85 M101 L104 Q105 T106 A110 Y112	R57-D108 IonicContact CZ-OD1 3.57Å; R57-D108 IonicContact NH1-OD1 3.36Å; R57-D108 PolarHBondContact NH1-OD1 3.1Å; R85-D108 IonicContact CZ-OD1 3.17Å; R85-D108 IonicContact CZ-OD2 3.76Å; R85-D108 IonicContact NH1-OD1 2.78Å; R85-D108 IonicContact NH1-OD2 2.69Å; R85-D108 PolarHBondContact NH1-OD2 3.35Å; R85-D108 IonicContact NH2-OD1 2.72Å; R85-D108 PolarHBondContact NH2-OD1 2.91Å; R85-D108 IonicContact NH2-OD2 3.56Å; R85-D108 PolarHBondContact NH2-OD2 2.6Å; M101-D108 HydrophobicContact SD-CB 4.08Å; L104-D108 WeakPolarHBondContact CA-OD2 3.49Å; L104-D108 HydrophobicContact CD2-CB 4.06Å; Q105-D108 PolarHBondContact N-OD2 2.98Å; Q105-D108 WeakPolarHBondContact O-CB 3.47Å; Q105-D108 PolarHBondContact O-N 3.15Å; T106-D108 PolarHBondContact O-N 2.95Å; D108-A110 PolarHBondContact O-N 2.94Å; D108-Y112 PolarHBondContact O-OH 3.1Å; D108-Y112 VanDerWaalsContact O-OH 3.06Å
109	T	95.8	Very high	96.6	Very high	94 Å²	94	58.6 Å²	58.6	58%	0.577	31%	0.308	S	S	*	.			trans	-63.2	106.8	175.5	-54.3	0	0	0	0	109.6	P60 T106 D107	P60-T109 WeakPolarHBondContact CD-O 3.37Å; T106-T109 WeakPolarHBondContact O-CB 3.4Å; T106-T109 PolarHBondContact O-N 2.72Å; T106-T109 PolarHBondContact O-OG1 2.75Å; D107-T109 PolarHBondContact O-N 3.18Å
110	A	96.8	Very high	96.4	Very high	23 Å²	23	61.9 Å²	61.9	19%	0.19	33%	0.326	C	S	.	.	S	Bend	trans	-160.3	162.4	-174.1	0	0	0	0	0	111.2	R57 Q58 P59 D108 Y112	R57-A110 HydrophobicContact CB-CB 3.84Å; R57-A110 HydrophobicContact CG-CB 4.19Å; Q58-A110 WeakPolarHBondContact O-CA 3.27Å; Q58-A110 WeakPolarHBondContact O-CB 3.28Å; P59-A110 HydrophobicContact CB-CB 4.42Å; P59-A110 HydrophobicContact CG-CB 4.28Å; D108-A110 PolarHBondContact O-N 2.94Å; A110-Y112 HydrophobicContact CB-CD2 4.43Å; A110-Y112 HydrophobicContact CB-CE2 4.01Å; A110-Y112 VanDerWaalsContact O-CD2 3.3Å; A110-Y112 WeakPolarHBondContact O-CD2 3.24Å
111	M	97.1	Very high	96.3	Very high	114 Å²	114	59.9 Å²	59.9	56%	0.562	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	133.6	160.9	-66.1	-57.2	-61.4	0	0	109.1	R57 Q58 Y113	R57-M111 CarbonylContact C-O 3.42Å; R57-M111 WeakPolarHBondContact CA-O 3.4Å; Q58-M111 PolarHBondContact N-O 3.36Å; Q58-M111 PolarHBondContact O-N 2.77Å; M111-Y113 HydrophobicContact CB-CE1 4.39Å; M111-Y113 HydrophobicContact CB-CE2 3.63Å; M111-Y113 VanDerWaalsContact CB-OH 3.31Å; M111-Y113 WeakPolarHBondContact CB-OH 3.49Å
112	Y	98	Very high	96.2	Very high	30 Å²	30	63.9 Å²	63.9	12%	0.118	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.3	179.9	-72.2	-105.3	0	0	0	109.9	L37 I39 R57 L67 L99 M101 D108 A110	L37-Y112 HydrophobicContact CD2-CD2 4.4Å; L37-Y112 HydrophobicContact CD2-CE1 4.23Å; L37-Y112 HydrophobicContact CD2-CE2 3.98Å; I39-Y112 VanDerWaalsContact CD1-CB 3.44Å; I39-Y112 HydrophobicContact CD1-CD1 3.7Å; I39-Y112 HydrophobicContact CD1-CG 3.73Å; R57-Y112 HydrophobicContact CB-CD1 3.92Å; R57-Y112 HydrophobicContact CB-CE1 3.95Å; R57-Y112 HydrophobicContact CB-CG 4.23Å; L67-Y112 HydrophobicContact CD1-CD1 3.82Å; L67-Y112 HydrophobicContact CD1-CE1 3.62Å; L99-Y112 HydrophobicContact CD2-CD1 4.13Å; L99-Y112 HydrophobicContact CD2-CE1 4.34Å; M101-Y112 HydrophobicContact CE-CE1 4.09Å; D108-Y112 PolarHBondContact O-OH 3.1Å; D108-Y112 VanDerWaalsContact O-OH 3.06Å; A110-Y112 HydrophobicContact CB-CD2 4.43Å; A110-Y112 HydrophobicContact CB-CE2 4.01Å; A110-Y112 VanDerWaalsContact O-CD2 3.3Å; A110-Y112 WeakPolarHBondContact O-CD2 3.24Å
113	Y	98.2	Very high	96.2	Very high	85 Å²	85	65.1 Å²	65.1	33%	0.333	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141.5	-176.8	-54.6	-73.5	0	0	0	109.8	E25 V56 Q58 L64 M111	E25-Y113 WeakPolarHBondContact OE1-CA 3.43Å; V56-Y113 PolarHBondContact N-O 2.67Å; V56-Y113 PolarHBondContact O-N 3.36Å; V56-Y113 VanDerWaalsContact O-O 3.1Å; Q58-Y113 HydrophobicContact CB-CE2 3.92Å; L64-Y113 HydrophobicContact CD2-CD2 4.39Å; M111-Y113 HydrophobicContact CB-CE1 4.39Å; M111-Y113 HydrophobicContact CB-CE2 3.63Å; M111-Y113 VanDerWaalsContact CB-OH 3.31Å; M111-Y113 WeakPolarHBondContact CB-OH 3.49Å
114	C	98.3	Very high	96.2	Very high	10 Å²	10	64.5 Å²	64.5	7%	0.068	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	149.4	164.4	56.8	0	0	0	0	110.8	L23 E25 C41 V53 H54 W55	L23-C114 HydrophobicContact CD2-CB 4.24Å; E25-C114 PolarHBondContact OE1-N 3.37Å; E25-C114 PolarHBondContact OE1-SG 2.88Å; C41-C114 HydrophobicContact CB-CB 3.43Å; C41-C114 VanDerWaalsContact CB-CB 3.43Å; C41-C114 WeakPolarHBondContact CB-SG 3.33Å; C41-C114 WeakPolarHBondContact SG-CB 3.41Å; C41-C114 CovalentContact SG-SG 2.02Å; C41-C114 PolarHBondContact SG-SG 3Å; V53-C114 HydrophobicContact CG1-CB 3.94Å; H54-C114 CarbonylContact O-C 3.54Å; H54-C114 WeakPolarHBondContact O-CA 3.3Å; W55-C114 HydrophobicContact CD2-CB 4.21Å; W55-C114 HydrophobicContact CE3-CB 4.08Å; W55-C114 HydrophobicContact CH2-CB 4.17Å; W55-C114 HydrophobicContact CZ2-CB 4.3Å; W55-C114 HydrophobicContact CZ3-CB 4.04Å
115	A	97.9	Very high	96.2	Very high	41 Å²	41	68.4 Å²	68.4	34%	0.339	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	145.1	178.6	0	0	0	0	0	110	V53 H54	V53-A115 CarbonylContact C-O 3.56Å; V53-A115 WeakPolarHBondContact CA-O 3.28Å; H54-A115 HydrophobicContact CB-CB 4.44Å; H54-A115 PolarHBondContact N-O 3.41Å; H54-A115 PolarHBondContact O-N 2.84Å
116	R	93.8	Very high	96.2	Very high	127 Å²	127	65.8 Å²	65.8	48%	0.479	35%	0.348	S	S	.	.			trans	-86.1	0	171.1	-173	-175	73.2	176	-0.5	110.2	F46 Y51	F46-R116 VanDerWaalsContact CD2-CD 3.48Å; F46-R116 HydrophobicContact CD2-CG 4.09Å; F46-R116 HydrophobicContact CE1-CB 4.17Å; F46-R116 HydrophobicContact CE1-CG 4.25Å; F46-R116 HydrophobicContact CE2-CB 4.27Å; F46-R116 HydrophobicContact CE2-CG 3.7Å; F46-R116 VanDerWaalsContact CG-CD 3.49Å; F46-R116 HydrophobicContact CZ-CB 3.82Å; F46-R116 HydrophobicContact CZ-CG 3.77Å; Y51-R116 HydrophobicContact CD1-CG 4.13Å; Y51-R116 HydrophobicContact CG-CG 4.02Å

Retrieved 116 of 116 residues in 166.1 ms (Link to these results)

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