A0A075B696_MOUSE Loading...

Immunoglobulin heavy variable 2-3

AlphaFold DB , UniProt , Accession A0A075B696, Species MOUSE (Mus musculus, Mouse), Gene Ighv2-3, Length 115 aa.

						>A0A075B696_MOUSE|A0A075B696|Ighv2-3
MAVLALLLCLVTFPSCVLSQVQLKESGPGLVAPSQSLSITCTVSGFSLTSYGVSWVRQPPGKGLEWLGVIWGDGSTNYHSALISRLSISKDNSKSQVFLKLNSLQTDDTATYYCA
					

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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	69.3	Low	72.8	Confident	212 Å²	212	110.2 Å²	110.2	100%	1.044	64%	0.635	S	S	*	*				0	-49.1	0	-71.5	-178.8	64.9	0	0	112.9	V3 L4 A5	M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.44Å; M1-L4 PolarHBondContact O-N 2.92Å; M1-L4 VanDerWaalsContact O-N 3.12Å; M1-A5 PolarHBondContact O-N 3.46Å
2	A	78	Confident	72.2	Confident	83 Å²	83	108.5 Å²	108.5	69%	0.686	63%	0.628	S	S	*	*	H	α-helix	trans	-56.8	-40.6	179.1	0	0	0	0	0	114.3	L4 A5 L6	A2-L4 VanDerWaalsContact C-N 3.34Å; A2-L4 PolarHBondContact O-N 3.07Å; A2-A5 PolarHBondContact O-N 3.12Å; A2-L6 WeakPolarHBondContact O-CB 3.26Å; A2-L6 PolarHBondContact O-N 2.97Å
3	V	81.6	Confident	71.4	Confident	107 Å²	107	113 Å²	113	65%	0.648	64%	0.636	S	S	*	*	H	α-helix	trans	-64	-38.7	176.9	-176.6	0	0	0	0	111.8	M1 L6 L7	M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.44Å; V3-L6 PolarHBondContact O-N 3.33Å; V3-L7 HydrophobicContact CG1-CD1 4.16Å; V3-L7 WeakPolarHBondContact O-CB 3.46Å; V3-L7 VanDerWaalsContact O-CG 3.26Å; V3-L7 WeakPolarHBondContact O-CG 3.46Å; V3-L7 PolarHBondContact O-N 3.33Å
4	L	76.9	Confident	70.8	Confident	122 Å²	122	111 Å²	111	64%	0.639	63%	0.63	S	S	*	*	H	α-helix	trans	-68.4	-39.5	177.9	-136.3	87.6	0	0	0	111.3	M1 A2 L7 L8	M1-L4 PolarHBondContact O-N 2.92Å; M1-L4 VanDerWaalsContact O-N 3.12Å; A2-L4 VanDerWaalsContact C-N 3.34Å; A2-L4 PolarHBondContact O-N 3.07Å; L4-L7 PolarHBondContact O-N 3.02Å; L4-L8 WeakPolarHBondContact O-CB 3.15Å; L4-L8 VanDerWaalsContact O-CG 3.26Å; L4-L8 WeakPolarHBondContact O-CG 3.26Å; L4-L8 PolarHBondContact O-N 3.26Å
5	A	75.8	Confident	70.1	Confident	54 Å²	54	110.8 Å²	110.8	45%	0.446	64%	0.638	S	S	.	*	H	α-helix	trans	-66.3	-40.7	175	0	0	0	0	0	112.1	M1 A2 L8 C9	M1-A5 PolarHBondContact O-N 3.46Å; A2-A5 PolarHBondContact O-N 3.12Å; A5-L8 PolarHBondContact O-N 3.44Å; A5-C9 PolarHBondContact O-N 3.24Å; A5-C9 PolarHBondContact O-SG 3.26Å
6	L	73.2	Confident	69.8	Low	120 Å²	120	111 Å²	111	63%	0.628	65%	0.646	S	S	*	*	H	α-helix	trans	-63.7	-42.6	175.4	-164	82.8	0	0	0	111.6	A2 V3 C9 L10	A2-L6 WeakPolarHBondContact O-CB 3.26Å; A2-L6 PolarHBondContact O-N 2.97Å; V3-L6 PolarHBondContact O-N 3.33Å; L6-C9 PolarHBondContact O-N 3.16Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 2.81Å; L6-L10 VanDerWaalsContact O-N 3.15Å
7	L	73.3	Confident	69.5	Low	100 Å²	100	111.6 Å²	111.6	52%	0.524	65%	0.652	S	S	.	*	H	α-helix	trans	-62.7	-44.3	174.3	-72.6	168.4	0	0	0	111.2	V3 L4 C9 L10 V11	V3-L7 HydrophobicContact CG1-CD1 4.16Å; V3-L7 WeakPolarHBondContact O-CB 3.46Å; V3-L7 VanDerWaalsContact O-CG 3.26Å; V3-L7 WeakPolarHBondContact O-CG 3.46Å; V3-L7 PolarHBondContact O-N 3.33Å; L4-L7 PolarHBondContact O-N 3.02Å; L7-C9 VanDerWaalsContact C-N 3.34Å; L7-C9 PolarHBondContact O-N 3.15Å; L7-L10 PolarHBondContact O-N 2.94Å; L7-L10 VanDerWaalsContact O-N 3.16Å; L7-V11 WeakPolarHBondContact O-CG2 2.98Å; L7-V11 PolarHBondContact O-N 3.47Å
8	L	68.5	Low	69.3	Low	107 Å²	107	114.1 Å²	114.1	56%	0.56	66%	0.661	S	S	*	*	H	α-helix	trans	-60.8	-39.6	176.2	-74.7	167.1	0	0	0	112.5	L4 A5 L10 V11 T12	L4-L8 WeakPolarHBondContact O-CB 3.15Å; L4-L8 VanDerWaalsContact O-CG 3.26Å; L4-L8 WeakPolarHBondContact O-CG 3.26Å; L4-L8 PolarHBondContact O-N 3.26Å; A5-L8 PolarHBondContact O-N 3.44Å; L8-L10 PolarHBondContact O-N 3.47Å; L8-V11 PolarHBondContact O-N 3.37Å; L8-T12 WeakPolarHBondContact O-CG2 3.49Å; L8-T12 PolarHBondContact O-N 2.96Å; L8-T12 PolarHBondContact O-OG1 3.32Å
9	C	68.5	Low	69.5	Low	72 Å²	72	113 Å²	113	49%	0.486	66%	0.661	S	S	.	*	H	α-helix	trans	-64	-37	174.3	-73.4	0	0	0	0	112.7	A5 L6 L7 V11 T12 F13	A5-C9 PolarHBondContact O-N 3.24Å; A5-C9 PolarHBondContact O-SG 3.26Å; L6-C9 PolarHBondContact O-N 3.16Å; L7-C9 VanDerWaalsContact C-N 3.34Å; L7-C9 PolarHBondContact O-N 3.15Å; C9-V11 VanDerWaalsContact C-N 3.33Å; C9-V11 PolarHBondContact O-N 3.43Å; C9-T12 PolarHBondContact O-N 3.48Å; C9-T12 PolarHBondContact O-OG1 3.46Å; C9-F13 WeakPolarHBondContact O-CD2 3.35Å
10	L	67.6	Low	70.4	Confident	127 Å²	127	114.4 Å²	114.4	67%	0.665	66%	0.66	S	S	*	*	H	α-helix	trans	-68.2	-31.2	178.3	-71.5	166.6	0	0	0	112.6	L6 L7 L8	L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 2.81Å; L6-L10 VanDerWaalsContact O-N 3.15Å; L7-L10 PolarHBondContact O-N 2.94Å; L7-L10 VanDerWaalsContact O-N 3.16Å; L8-L10 PolarHBondContact O-N 3.47Å
11	V	68.2	Low	71.5	Confident	108 Å²	108	112.9 Å²	112.9	66%	0.655	65%	0.653	S	S	*	*	H	α-helix	trans	-79.7	-23.1	177.7	-115.5	0	0	0	0	113.8	L7 L8 C9 P14	L7-V11 WeakPolarHBondContact O-CG2 2.98Å; L7-V11 PolarHBondContact O-N 3.47Å; L8-V11 PolarHBondContact O-N 3.37Å; C9-V11 VanDerWaalsContact C-N 3.33Å; C9-V11 PolarHBondContact O-N 3.43Å; V11-P14 VanDerWaalsContact O-CD 3.32Å; V11-P14 WeakPolarHBondContact O-CD 3.32Å
12	T	65.2	Low	72.8	Confident	90 Å²	90	107 Å²	107	55%	0.552	62%	0.622	S	S	*	*	H	α-helix	trans	-88.7	-8.3	-178.4	55.6	0	0	0	0	114.6	L8 C9	L8-T12 WeakPolarHBondContact O-CG2 3.49Å; L8-T12 PolarHBondContact O-N 2.96Å; L8-T12 PolarHBondContact O-OG1 3.32Å; C9-T12 PolarHBondContact O-N 3.48Å; C9-T12 PolarHBondContact O-OG1 3.46Å
13	F	61.7	Low	73.7	Confident	167 Å²	167	105.3 Å²	105.3	73%	0.732	60%	0.602	S	S	*	*	S	Bend	trans	-99.9	5.7	-173.8	-93.6	-84.5	0	0	0	119.2	C9	C9-F13 WeakPolarHBondContact O-CD2 3.35Å
14	P	62.6	Low	74.5	Confident	85 Å²	85	107.3 Å²	107.3	55%	0.552	60%	0.602	S	S	*	*	S	Bend	trans	-93.3	-3.2	175.3	22.9	-11.9	0	0	0	115.5	V11 C16	V11-P14 VanDerWaalsContact O-CD 3.32Å; V11-P14 WeakPolarHBondContact O-CD 3.32Å; P14-C16 PolarHBondContact O-N 3.24Å
15	S	60.8	Low	75.5	Confident	108 Å²	108	104.8 Å²	104.8	76%	0.755	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-0.3	-177.9	42.4	0	0	0	0	115.1
16	C	64.8	Low	76.5	Confident	114 Å²	114	105 Å²	105	77%	0.77	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	20.6	176.3	-65.6	0	0	0	0	113.6	P14 L18	P14-C16 PolarHBondContact O-N 3.24Å; C16-L18 PolarHBondContact O-N 2.77Å
17	V	65.1	Low	77.6	Confident	121 Å²	121	101.7 Å²	101.7	73%	0.733	58%	0.58	S	S	*	*			trans	-75.5	86.9	165.5	-171.1	0	0	0	0	107.5	S19	V17-S19 PolarHBondContact O-N 2.98Å
18	L	66	Low	78.4	Confident	157 Å²	157	99.9 Å²	99.9	82%	0.822	57%	0.574	S	S	*	*			trans	-51.4	135.7	161.1	-68.5	171.7	0	0	0	107.4	C16 Q20	C16-L18 PolarHBondContact O-N 2.77Å; L18-Q20 PolarHBondContact O-N 2.97Å
19	S	73.2	Confident	79.5	Confident	93 Å²	93	98.6 Å²	98.6	65%	0.65	59%	0.587	S	S	*	*			trans	-57.4	111.7	179.1	-162.2	0	0	0	0	109	V17 V21 G45	V17-S19 PolarHBondContact O-N 2.98Å; S19-V21 PolarHBondContact O-N 3.36Å; S19-G45 WeakPolarHBondContact OG-CA 3.47Å
20	Q	88.4	Confident	80.6	Confident	141 Å²	141	103.6 Å²	103.6	66%	0.659	61%	0.608	S	S	*	*			trans	-70.6	128.5	-179.9	-173.4	179.5	-4.7	0	0	108.7	L18 Q22	L18-Q20 PolarHBondContact O-N 2.97Å; Q20-Q22 VanDerWaalsContact NE2-NE2 3.14Å; Q20-Q22 PolarHBondContact O-N 3.26Å
21	V	92.9	Very high	81.9	Confident	82 Å²	82	99.6 Å²	99.6	50%	0.497	59%	0.589	S	S	.	*			trans	-65.6	128.4	172.6	174.3	0	0	0	0	109.2	S19 S44 F46	S19-V21 PolarHBondContact O-N 3.36Å; V21-S44 WeakPolarHBondContact CA-O 3.28Å; V21-F46 HydrophobicContact CG1-CD1 3.81Å; V21-F46 HydrophobicContact CG1-CE1 3.78Å; V21-F46 HydrophobicContact CG2-CD1 4.16Å
22	Q	95.4	Very high	83	Confident	88 Å²	88	96.7 Å²	96.7	41%	0.411	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.1	137.9	173.9	-55.8	-70.1	-21.7	0	0	109.9	Q20 V43 S44	Q20-Q22 VanDerWaalsContact NE2-NE2 3.14Å; Q20-Q22 PolarHBondContact O-N 3.26Å; Q22-V43 CarbonylContact O-C 3.57Å; Q22-V43 WeakPolarHBondContact O-CA 2.91Å; Q22-S44 WeakPolarHBondContact CB-OG 3.23Å; Q22-S44 PolarHBondContact N-O 2.83Å; Q22-S44 PolarHBondContact O-N 2.73Å
23	L	97.6	Very high	84.3	Confident	49 Å²	49	96.6 Å²	96.6	26%	0.257	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.5	125.3	174.1	-60	-179.8	0	0	0	106.7	V43 F46 C114	L23-V43 HydrophobicContact CD2-CB 4.05Å; L23-V43 HydrophobicContact CD2-CG1 3.57Å; L23-F46 HydrophobicContact CD2-CE1 3.9Å; L23-F46 HydrophobicContact CD2-CZ 4.06Å; L23-C114 VanDerWaalsContact CD1-O 3.28Å; L23-C114 WeakPolarHBondContact CD1-O 3.46Å
24	K	97.8	Very high	85.8	Confident	149 Å²	149	93.6 Å²	93.6	65%	0.648	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-129.2	105.2	-178.5	-176.6	179.5	179.4	179.2	0	110.4	C41 T42	K24-C41 WeakPolarHBondContact O-CA 3.34Å; K24-T42 PolarHBondContact N-O 2.86Å; K24-T42 PolarHBondContact O-N 2.91Å
25	E	98	Very high	87.3	Confident	68 Å²	68	94.6 Å²	94.6	32%	0.318	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.1	142.8	175.9	-59.4	85.5	166.2	0	0	111.4	T40 W55 Y113 C114	E25-T40 CarbonylContact C-O 3.58Å; E25-T40 WeakPolarHBondContact CA-O 3.42Å; E25-W55 HydrophobicContact CG-CZ3 4.39Å; E25-Y113 WeakPolarHBondContact OE1-CA 3.44Å; E25-C114 PolarHBondContact OE1-N 2.8Å; E25-C114 PolarHBondContact OE1-SG 3.33Å
26	S	97.7	Very high	89	Confident	58 Å²	58	92.3 Å²	92.3	41%	0.406	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-150.3	140.6	174.9	58.9	0	0	0	0	109.2	I39 T40	S26-I39 CarbonylContact O-C 3.49Å; S26-I39 WeakPolarHBondContact O-CA 3.38Å; S26-I39 WeakPolarHBondContact O-CG2 3.38Å; S26-T40 PolarHBondContact N-O 2.76Å; S26-T40 PolarHBondContact O-N 2.92Å; S26-T40 PolarHBondContact OG-O 3Å
27	G	95.4	Very high	90.5	Very high	51 Å²	51	87.6 Å²	87.6	53%	0.526	53%	0.525	S	S	.	.			trans	-176.6	179	-176.9	0	0	0	0	0	111
28	P	91.7	Very high	92	Very high	62 Å²	62	84.7 Å²	84.7	40%	0.403	51%	0.51	S	S	.	.			trans	-66.9	140.7	171.8	31.5	-34.7	0	0	0	109.5	V31 L37 S38	P28-V31 HydrophobicContact CB-CG2 3.67Å; P28-V31 HydrophobicContact CG-CG2 3.43Å; P28-V31 VanDerWaalsContact CG-CG2 3.43Å; P28-L37 HydrophobicContact CG-CD1 3.65Å; P28-S38 WeakPolarHBondContact CD-O 3.49Å
29	G	91	Very high	93.6	Very high	81 Å²	81	77.8 Å²	77.8	84%	0.835	47%	0.474	S	S	*	.	S	Bend	trans	-70.9	-59.6	179.7	0	0	0	0	0	112.6
30	L	91.8	Very high	94.8	Very high	177 Å²	177	74.6 Å²	74.6	93%	0.927	45%	0.451	S	S	*	.			trans	-119.2	133.5	177.3	-66.2	173	0	0	0	109.2
31	V	94	Very high	95.2	Very high	42 Å²	42	67.9 Å²	67.9	26%	0.255	42%	0.419	S	S	.	.			trans	-129	136.4	178.3	-175	0	0	0	0	107.9	P28 Q35 L37 L104	P28-V31 HydrophobicContact CB-CG2 3.67Å; P28-V31 HydrophobicContact CG-CG2 3.43Å; P28-V31 VanDerWaalsContact CG-CG2 3.43Å; V31-Q35 HydrophobicContact CG1-CB 3.69Å; V31-L37 HydrophobicContact CG2-CD1 4.07Å; V31-L104 HydrophobicContact CB-CD1 3.62Å; V31-L104 HydrophobicContact CG1-CD1 3.39Å
32	A	91.8	Very high	95.5	Very high	48 Å²	48	66.3 Å²	66.3	40%	0.397	41%	0.41	S	S	.	.			trans	-70.7	153.3	-178.1	0	0	0	0	0	111.1	Q35	A32-Q35 HydrophobicContact CB-CG 4.24Å; A32-Q35 WeakPolarHBondContact O-CB 3.37Å; A32-Q35 PolarHBondContact O-N 3.28Å
33	P	92.4	Very high	95.6	Very high	87 Å²	87	62.3 Å²	62.3	57%	0.565	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	152.4	171.6	-25.8	34.9	0	0	0	112.3	Q35	P33-Q35 PolarHBondContact O-N 3.35Å
34	S	93.2	Very high	95.5	Very high	104 Å²	104	62.8 Å²	62.8	73%	0.727	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	-7.1	-176.6	-50.8	0	0	0	0	116	L104	S34-L104 PolarHBondContact N-O 2.81Å
35	Q	95.3	Very high	95.4	Very high	107 Å²	107	57.1 Å²	57.1	50%	0.5	38%	0.383	S	S	.	.	S	Bend	trans	-82.4	177.8	170.5	-60.5	-175.9	-20.1	0	0	111.1	V31 A32 P33 S103 L104	V31-Q35 HydrophobicContact CG1-CB 3.69Å; A32-Q35 HydrophobicContact CB-CG 4.24Å; A32-Q35 WeakPolarHBondContact O-CB 3.37Å; A32-Q35 PolarHBondContact O-N 3.28Å; P33-Q35 PolarHBondContact O-N 3.35Å; Q35-S103 PolarHBondContact O-N 3.18Å; Q35-L104 WeakPolarHBondContact O-CB 3.02Å; Q35-L104 WeakPolarHBondContact O-CG 3.24Å; Q35-L104 PolarHBondContact O-N 3.3Å
36	S	95.9	Very high	95.2	Very high	59 Å²	59	56 Å²	56	41%	0.413	38%	0.377	S	S	.	.			trans	-103.1	131.9	175.4	-60.8	0	0	0	0	111	L101 N102	S36-L101 CarbonylContact C-O 3.57Å; S36-L101 VanDerWaalsContact CA-O 3.28Å; S36-L101 WeakPolarHBondContact CA-O 3.47Å; S36-N102 PolarHBondContact OG-OD1 3.32Å
37	L	96.1	Very high	95.1	Very high	15 Å²	15	56 Å²	56	8%	0.079	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	138.5	167.2	177.8	59.7	0	0	0	109.6	P28 V31 I39 K100 L101 L104 Y112	P28-L37 HydrophobicContact CG-CD1 3.65Å; V31-L37 HydrophobicContact CG2-CD1 4.07Å; L37-I39 HydrophobicContact CD1-CD1 4.06Å; L37-I39 HydrophobicContact CD1-CG1 3.82Å; L37-I39 HydrophobicContact CD2-CD1 3.68Å; L37-I39 HydrophobicContact CD2-CG1 4.3Å; L37-I39 HydrophobicContact CG-CD1 3.89Å; L37-I39 HydrophobicContact CG-CG1 3.93Å; L37-K100 VanDerWaalsContact O-CA 3.32Å; L37-K100 WeakPolarHBondContact O-CA 3.45Å; L37-L101 HydrophobicContact CB-CB 4.32Å; L37-L101 PolarHBondContact N-O 2.87Å; L37-L101 PolarHBondContact O-N 2.81Å; L37-L104 HydrophobicContact CB-CD1 3.99Å; L37-L104 HydrophobicContact CB-CD2 3.95Å; L37-L104 HydrophobicContact CB-CG 4.21Å; L37-L104 HydrophobicContact CD2-CD2 4.38Å; L37-Y112 HydrophobicContact CD2-CD2 4.25Å; L37-Y112 HydrophobicContact CD2-CE1 4.28Å; L37-Y112 HydrophobicContact CD2-CE2 3.77Å
38	S	97.2	Very high	95.2	Very high	60 Å²	60	53.8 Å²	53.8	42%	0.42	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	118.6	168.9	-171	0	0	0	0	110	P28 L99	P28-S38 WeakPolarHBondContact CD-O 3.49Å; S38-L99 CarbonylContact C-O 3.56Å; S38-L99 WeakPolarHBondContact CA-O 3.32Å
39	I	97.9	Very high	95.4	Very high	13 Å²	13	54.6 Å²	54.6	7%	0.067	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.5	179.3	-57.5	161.1	0	0	0	108	S26 L37 W55 F98 L99 Y112	S26-I39 CarbonylContact O-C 3.49Å; S26-I39 WeakPolarHBondContact O-CA 3.38Å; S26-I39 WeakPolarHBondContact O-CG2 3.38Å; L37-I39 HydrophobicContact CD1-CD1 4.06Å; L37-I39 HydrophobicContact CD1-CG1 3.82Å; L37-I39 HydrophobicContact CD2-CD1 3.68Å; L37-I39 HydrophobicContact CD2-CG1 4.3Å; L37-I39 HydrophobicContact CG-CD1 3.89Å; L37-I39 HydrophobicContact CG-CG1 3.93Å; I39-W55 HydrophobicContact CB-CH2 4.28Å; I39-W55 HydrophobicContact CB-CZ3 4.4Å; I39-W55 HydrophobicContact CG2-CH2 3.79Å; I39-W55 HydrophobicContact CG2-CZ3 3.85Å; I39-F98 WeakPolarHBondContact O-CA 3.38Å; I39-L99 PolarHBondContact N-O 3.01Å; I39-L99 PolarHBondContact O-N 3.43Å; I39-Y112 HydrophobicContact CD1-CD1 4.01Å; I39-Y112 HydrophobicContact CD1-CD2 3.92Å; I39-Y112 HydrophobicContact CD1-CG 3.55Å
40	T	98.5	Very high	95.6	Very high	26 Å²	26	54.8 Å²	54.8	16%	0.16	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.5	176.2	-55.3	0	0	0	0	109.3	E25 S26 Q96 V97 F98	E25-T40 CarbonylContact C-O 3.58Å; E25-T40 WeakPolarHBondContact CA-O 3.42Å; S26-T40 PolarHBondContact N-O 2.76Å; S26-T40 PolarHBondContact O-N 2.92Å; S26-T40 PolarHBondContact OG-O 3Å; T40-Q96 HydrophobicContact CG2-CB 4.06Å; T40-Q96 HydrophobicContact CG2-CG 3.8Å; T40-V97 CarbonylContact C-O 3.54Å; T40-V97 WeakPolarHBondContact CA-O 3.41Å; T40-F98 HydrophobicContact CG2-CD1 3.88Å; T40-F98 HydrophobicContact CG2-CE1 3.54Å; T40-F98 HydrophobicContact CG2-CZ 4.38Å; T40-F98 WeakPolarHBondContact OG1-CD1 3.48Å; T40-F98 WeakPolarHBondContact OG1-CE1 3.4Å
41	C	98.5	Very high	95.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	116.9	167.4	176.6	0	0	0	0	108.8	K24 W55 Q96 V97 C114	K24-C41 WeakPolarHBondContact O-CA 3.34Å; C41-W55 HydrophobicContact CB-CH2 3.48Å; C41-W55 VanDerWaalsContact CB-CH2 3.48Å; C41-W55 HydrophobicContact CB-CZ2 3.61Å; C41-W55 HydrophobicContact CB-CZ3 4.41Å; C41-Q96 CarbonylContact O-C 3.47Å; C41-Q96 VanDerWaalsContact O-CA 3.3Å; C41-Q96 WeakPolarHBondContact O-CA 3.26Å; C41-V97 HydrophobicContact CB-CB 4.43Å; C41-V97 PolarHBondContact N-O 3.25Å; C41-V97 PolarHBondContact O-N 2.94Å; C41-C114 HydrophobicContact CB-CB 3.45Å; C41-C114 VanDerWaalsContact CB-CB 3.45Å; C41-C114 WeakPolarHBondContact CB-SG 3.35Å; C41-C114 WeakPolarHBondContact SG-CB 3.47Å; C41-C114 CovalentContact SG-SG 2.02Å; C41-C114 PolarHBondContact SG-SG 2.96Å
42	T	98.3	Very high	96	Very high	49 Å²	49	52.4 Å²	52.4	30%	0.301	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124.8	170	-55.2	0	0	0	0	108.5	K24 S95 Q96	K24-T42 PolarHBondContact N-O 2.86Å; K24-T42 PolarHBondContact O-N 2.91Å; T42-S95 WeakPolarHBondContact CA-O 3.29Å; T42-Q96 HydrophobicContact CG2-CG 4.43Å
43	V	97.6	Very high	96.3	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.018	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	148.6	-177.6	-49.9	0	0	0	0	111.1	Q22 L23 F46 L48 V53 S95	Q22-V43 CarbonylContact O-C 3.57Å; Q22-V43 WeakPolarHBondContact O-CA 2.91Å; L23-V43 HydrophobicContact CD2-CB 4.05Å; L23-V43 HydrophobicContact CD2-CG1 3.57Å; V43-F46 HydrophobicContact CB-CE1 3.73Å; V43-F46 HydrophobicContact CB-CE2 4.34Å; V43-F46 HydrophobicContact CB-CZ 3.57Å; V43-F46 HydrophobicContact CG1-CE1 4.29Å; V43-F46 HydrophobicContact CG1-CZ 3.78Å; V43-F46 HydrophobicContact CG2-CE1 4.23Å; V43-F46 HydrophobicContact CG2-CE2 4.1Å; V43-F46 HydrophobicContact CG2-CZ 3.83Å; V43-L48 HydrophobicContact CG1-CD2 4.34Å; V43-L48 HydrophobicContact CG2-CD1 4.03Å; V43-L48 HydrophobicContact CG2-CD2 3.65Å; V43-L48 HydrophobicContact CG2-CG 3.64Å; V43-V53 HydrophobicContact CG1-CG2 4.19Å; V43-S95 PolarHBondContact N-O 2.89Å; V43-S95 VanDerWaalsContact O-CB 3.26Å; V43-S95 WeakPolarHBondContact O-CB 3.28Å
44	S	95.8	Very high	96.6	Very high	59 Å²	59	47.5 Å²	47.5	41%	0.413	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	165.1	168.3	66.1	0	0	0	0	110.5	V21 Q22 F46	V21-S44 WeakPolarHBondContact CA-O 3.28Å; Q22-S44 WeakPolarHBondContact CB-OG 3.23Å; Q22-S44 PolarHBondContact N-O 2.83Å; Q22-S44 PolarHBondContact O-N 2.73Å; S44-F46 VanDerWaalsContact C-N 3.31Å
45	G	94.3	Very high	96.8	Very high	31 Å²	31	42.6 Å²	42.6	32%	0.32	26%	0.258	S	S	.	.	S	Bend	trans	87.9	-8.6	-173.7	0	0	0	0	0	114.8	S19	S19-G45 WeakPolarHBondContact OG-CA 3.47Å
46	F	94	Very high	97	Very high	45 Å²	45	38.6 Å²	38.6	20%	0.197	24%	0.241	C	C	.	.	S	Bend	trans	-153.4	168.6	176.3	67.7	-84.7	0	0	0	111.9	V21 L23 V43 S44 L48 Y51 V53	V21-F46 HydrophobicContact CG1-CD1 3.81Å; V21-F46 HydrophobicContact CG1-CE1 3.78Å; V21-F46 HydrophobicContact CG2-CD1 4.16Å; L23-F46 HydrophobicContact CD2-CE1 3.9Å; L23-F46 HydrophobicContact CD2-CZ 4.06Å; V43-F46 HydrophobicContact CB-CE1 3.73Å; V43-F46 HydrophobicContact CB-CE2 4.34Å; V43-F46 HydrophobicContact CB-CZ 3.57Å; V43-F46 HydrophobicContact CG1-CE1 4.29Å; V43-F46 HydrophobicContact CG1-CZ 3.78Å; V43-F46 HydrophobicContact CG2-CE1 4.23Å; V43-F46 HydrophobicContact CG2-CE2 4.1Å; V43-F46 HydrophobicContact CG2-CZ 3.83Å; S44-F46 VanDerWaalsContact C-N 3.31Å; F46-L48 HydrophobicContact CE2-CD2 4.01Å; F46-Y51 HydrophobicContact CB-CD2 3.92Å; F46-Y51 HydrophobicContact CB-CE2 4.24Å; F46-Y51 AromaticContact CD2-CD2 3.96Å; F46-Y51 HydrophobicContact CD2-CD2 3.96Å; F46-Y51 HydrophobicContact CD2-CG 4.09Å; F46-Y51 HydrophobicContact CG-CD2 4.35Å; F46-V53 HydrophobicContact CE2-CG2 4.09Å; F46-V53 HydrophobicContact CZ-CG2 4Å
47	S	95.6	Very high	97	Very high	56 Å²	56	36.2 Å²	36.2	39%	0.392	22%	0.223	S	C	.	.			trans	-99.2	131.1	176	-176.6	0	0	0	0	112.4	T49 S50 Y51	S47-T49 PolarHBondContact O-N 3.29Å; S47-T49 PolarHBondContact OG-N 3.06Å; S47-T49 PolarHBondContact OG-OG1 2.85Å; S47-S50 PolarHBondContact O-N 3.29Å; S47-Y51 PolarHBondContact O-N 3.41Å; S47-Y51 VanDerWaalsContact O-N 3.1Å
48	L	97.6	Very high	97.1	Very high	6 Å²	6	39 Å²	39	3%	0.031	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-10.5	173	-70.8	178.6	0	0	0	114.1	V43 F46 V53 G72 K90 N92 V97	V43-L48 HydrophobicContact CG1-CD2 4.34Å; V43-L48 HydrophobicContact CG2-CD1 4.03Å; V43-L48 HydrophobicContact CG2-CD2 3.65Å; V43-L48 HydrophobicContact CG2-CG 3.64Å; F46-L48 HydrophobicContact CE2-CD2 4.01Å; L48-V53 HydrophobicContact CD2-CG2 3.55Å; L48-G72 WeakPolarHBondContact O-CA 3.37Å; L48-K90 HydrophobicContact CB-CD 4.49Å; L48-K90 PolarHBondContact O-NZ 2.86Å; L48-N92 WeakPolarHBondContact CB-OD1 3.32Å; L48-V97 HydrophobicContact CD1-CG2 3.89Å; L48-V97 HydrophobicContact CD2-CG2 3.58Å; L48-V97 HydrophobicContact CG-CG2 4.42Å
49	T	97.1	Very high	97	Very high	79 Å²	79	36.8 Å²	36.8	49%	0.485	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-22.9	170.7	58.9	0	0	0	0	112.3	S47 G72 N92	S47-T49 PolarHBondContact O-N 3.29Å; S47-T49 PolarHBondContact OG-N 3.06Å; S47-T49 PolarHBondContact OG-OG1 2.85Å; T49-G72 CarbonylContact O-C 3.53Å; T49-G72 WeakPolarHBondContact O-CA 3.4Å; T49-N92 WeakPolarHBondContact CG2-ND2 3.01Å
50	S	95.5	Very high	96.9	Very high	85 Å²	85	41 Å²	41	59%	0.594	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-23.7	-172.4	-58.1	0	0	0	0	112.8	S47	S47-S50 PolarHBondContact O-N 3.29Å
51	Y	95.9	Very high	96.9	Very high	146 Å²	146	44.2 Å²	44.2	57%	0.573	29%	0.287	S	S	*	.			trans	-127.3	148.7	-178.8	-64.1	-89.3	0	0	0	111.1	F46 S47	F46-Y51 HydrophobicContact CB-CD2 3.92Å; F46-Y51 HydrophobicContact CB-CE2 4.24Å; F46-Y51 AromaticContact CD2-CD2 3.96Å; F46-Y51 HydrophobicContact CD2-CD2 3.96Å; F46-Y51 HydrophobicContact CD2-CG 4.09Å; F46-Y51 HydrophobicContact CG-CD2 4.35Å; S47-Y51 PolarHBondContact O-N 3.41Å; S47-Y51 VanDerWaalsContact O-N 3.1Å
52	G	97.4	Very high	96.7	Very high	23 Å²	23	51.3 Å²	51.3	24%	0.237	32%	0.318	C	S	.	.			trans	-85.9	161.4	168.5	0	0	0	0	0	111.9	I70	G52-I70 CarbonylContact C-O 3.48Å; G52-I70 WeakPolarHBondContact CA-O 3.34Å
53	V	98.5	Very high	96.6	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.6	173	178.6	0	0	0	0	108.2	V43 F46 L48 V69 I70 V97 C114 A115	V43-V53 HydrophobicContact CG1-CG2 4.19Å; F46-V53 HydrophobicContact CE2-CG2 4.09Å; F46-V53 HydrophobicContact CZ-CG2 4Å; L48-V53 HydrophobicContact CD2-CG2 3.55Å; V53-V69 WeakPolarHBondContact O-CA 3.48Å; V53-I70 PolarHBondContact N-O 2.7Å; V53-I70 PolarHBondContact O-N 3.28Å; V53-I70 VanDerWaalsContact O-N 3.11Å; V53-V97 HydrophobicContact CB-CB 4.5Å; V53-V97 HydrophobicContact CB-CG1 4.38Å; V53-V97 HydrophobicContact CB-CG2 3.94Å; V53-V97 HydrophobicContact CG1-CB 4.42Å; V53-V97 HydrophobicContact CG1-CG1 4.41Å; V53-V97 HydrophobicContact CG1-CG2 4.28Å; V53-V97 HydrophobicContact CG2-CG2 3.88Å; V53-C114 HydrophobicContact CG1-CB 3.77Å; V53-A115 CarbonylContact C-O 3.54Å
54	S	98.3	Very high	96.6	Very high	31 Å²	31	57.2 Å²	57.2	22%	0.217	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	153.3	176.3	-63.3	0	0	0	0	110.7	G68 C114 A115	S54-G68 CarbonylContact C-O 3.59Å; S54-G68 WeakPolarHBondContact CA-O 3.47Å; S54-C114 CarbonylContact O-C 3.51Å; S54-C114 VanDerWaalsContact O-CA 3.27Å; S54-C114 WeakPolarHBondContact O-CA 3.42Å; S54-A115 PolarHBondContact N-O 2.68Å; S54-A115 PolarHBondContact O-N 2.91Å
55	W	98.3	Very high	96.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.2	168.7	-73.2	98.4	0	0	0	109.7	E25 I39 C41 L67 G68 V97 L99 Y113 C114	E25-W55 HydrophobicContact CG-CZ3 4.39Å; I39-W55 HydrophobicContact CB-CH2 4.28Å; I39-W55 HydrophobicContact CB-CZ3 4.4Å; I39-W55 HydrophobicContact CG2-CH2 3.79Å; I39-W55 HydrophobicContact CG2-CZ3 3.85Å; C41-W55 HydrophobicContact CB-CH2 3.48Å; C41-W55 VanDerWaalsContact CB-CH2 3.48Å; C41-W55 HydrophobicContact CB-CZ2 3.61Å; C41-W55 HydrophobicContact CB-CZ3 4.41Å; W55-L67 HydrophobicContact CB-CB 4.13Å; W55-L67 HydrophobicContact CB-CD1 4.28Å; W55-L67 WeakPolarHBondContact O-CB 3.33Å; W55-L67 PolarHBondContact O-N 2.76Å; W55-G68 PolarHBondContact N-O 2.79Å; W55-V97 HydrophobicContact CZ2-CG1 4.32Å; W55-L99 HydrophobicContact CB-CD1 4.16Å; W55-L99 HydrophobicContact CB-CD2 4.2Å; W55-L99 HydrophobicContact CD2-CB 3.71Å; W55-L99 HydrophobicContact CD2-CD1 4.38Å; W55-L99 HydrophobicContact CD2-CD2 3.93Å; W55-L99 HydrophobicContact CD2-CG 4.23Å; W55-L99 HydrophobicContact CE3-CB 4.14Å; W55-L99 HydrophobicContact CE3-CD2 3.92Å; W55-L99 HydrophobicContact CG-CB 4.11Å; W55-L99 HydrophobicContact CG-CD1 3.9Å; W55-L99 HydrophobicContact CG-CD2 4.07Å; W55-L99 HydrophobicContact CG-CG 4.26Å; W55-L99 HydrophobicContact CH2-CB 4.24Å; W55-L99 HydrophobicContact CZ2-CB 3.85Å; W55-L99 HydrophobicContact CZ3-CB 4.4Å; W55-Y113 WeakPolarHBondContact CA-O 3.32Å; W55-C114 HydrophobicContact CD2-CB 4.37Å; W55-C114 HydrophobicContact CE3-CB 4.12Å; W55-C114 HydrophobicContact CH2-CB 4.12Å; W55-C114 HydrophobicContact CZ2-CB 4.34Å; W55-C114 HydrophobicContact CZ3-CB 3.99Å
56	V	97.9	Very high	96.8	Very high	23 Å²	23	60.1 Å²	60.1	14%	0.139	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.1	-179.9	-176.1	0	0	0	0	107.9	L64 E65 Y113	V56-L64 HydrophobicContact CG1-CB 3.73Å; V56-L64 HydrophobicContact CG1-CD2 3.75Å; V56-L64 HydrophobicContact CG1-CG 4.21Å; V56-E65 CarbonylContact C-O 3.53Å; V56-E65 WeakPolarHBondContact CA-O 3.45Å; V56-E65 WeakPolarHBondContact CG1-O 3.38Å; V56-Y113 PolarHBondContact N-O 3.4Å; V56-Y113 PolarHBondContact O-N 3Å
57	R	96.5	Very high	97	Very high	9 Å²	9	58 Å²	58	3%	0.034	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	154.5	169.9	71.5	176.8	178.4	-172	0.4	111.8	L64 E65 L67 D108 A110 T111 Y112	R57-L64 WeakPolarHBondContact O-CA 3.41Å; R57-E65 HydrophobicContact CG-CB 4.07Å; R57-E65 IonicContact CZ-OE2 3.29Å; R57-E65 PolarHBondContact N-O 2.89Å; R57-E65 IonicContact NE-OE2 2.83Å; R57-E65 PolarHBondContact NE-OE2 2.99Å; R57-E65 IonicContact NH2-OE1 3.8Å; R57-E65 PolarHBondContact NH2-OE1 3.42Å; R57-E65 IonicContact NH2-OE2 3.41Å; R57-E65 PolarHBondContact NH2-OE2 2.93Å; R57-E65 PolarHBondContact O-N 2.86Å; R57-L67 HydrophobicContact CB-CD1 4.1Å; R57-L67 HydrophobicContact CB-CG 4.47Å; R57-L67 HydrophobicContact CG-CD1 4.32Å; R57-L67 HydrophobicContact CG-CD2 3.86Å; R57-L67 HydrophobicContact CG-CG 4.27Å; R57-D108 IonicContact CZ-OD1 2.73Å; R57-D108 IonicContact NH1-OD1 3.2Å; R57-D108 PolarHBondContact NH1-OD1 3Å; R57-A110 HydrophobicContact CB-CB 3.79Å; R57-A110 HydrophobicContact CG-CB 4.13Å; R57-T111 CarbonylContact C-O 3.45Å; R57-T111 VanDerWaalsContact CA-O 3.23Å; R57-T111 WeakPolarHBondContact CA-O 3.47Å; R57-Y112 HydrophobicContact CB-CD1 3.9Å; R57-Y112 HydrophobicContact CB-CE1 3.94Å; R57-Y112 HydrophobicContact CB-CG 4.25Å
58	Q	97.4	Very high	97.1	Very high	75 Å²	75	55.3 Å²	55.3	35%	0.35	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	99.5	174	-167.4	175.7	18.8	0	0	109.7	L64 A110 T111 Y113	Q58-L64 HydrophobicContact CB-CD2 3.91Å; Q58-L64 HydrophobicContact CG-CD2 4.25Å; Q58-A110 WeakPolarHBondContact O-CA 3.46Å; Q58-A110 WeakPolarHBondContact O-CB 3.3Å; Q58-T111 PolarHBondContact N-O 3.4Å; Q58-T111 PolarHBondContact O-N 3.28Å; Q58-Y113 HydrophobicContact CB-CE2 3.93Å
59	P	96.3	Very high	97.1	Very high	12 Å²	12	55.2 Å²	55.2	8%	0.078	33%	0.326	C	S	.	.			trans	-65.3	149.1	171.8	-17.8	30.8	0	0	0	111.1	G61 K62 A110	P59-G61 PolarHBondContact O-N 2.98Å; P59-K62 HydrophobicContact CB-CB 4.04Å; P59-K62 HydrophobicContact CB-CD 4Å; P59-K62 HydrophobicContact CB-CG 4.2Å; P59-K62 HydrophobicContact CG-CB 4.3Å; P59-K62 HydrophobicContact CG-CD 4.3Å; P59-K62 PolarHBondContact O-N 2.89Å; P59-A110 HydrophobicContact CB-CB 4.44Å; P59-A110 HydrophobicContact CG-CB 4.29Å
60	P	96.1	Very high	97.2	Very high	101 Å²	101	52 Å²	52	66%	0.656	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	127	177.8	-25.2	33.3	0	0	0	112	K62 T109	P60-K62 PolarHBondContact O-N 3.46Å; P60-T109 WeakPolarHBondContact CD-O 3.47Å
61	G	97.1	Very high	97.3	Very high	95 Å²	95	53.4 Å²	53.4	98%	0.979	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	9	-180	0	0	0	0	0	115.3	P59	P59-G61 PolarHBondContact O-N 2.98Å
62	K	96	Very high	97.4	Very high	149 Å²	149	47.2 Å²	47.2	65%	0.648	28%	0.279	S	S	*	.	S	Bend	trans	-118	168.8	176.3	-58.4	-169.6	-176.9	175	0	111.5	P59 P60	P59-K62 HydrophobicContact CB-CB 4.04Å; P59-K62 HydrophobicContact CB-CD 4Å; P59-K62 HydrophobicContact CB-CG 4.2Å; P59-K62 HydrophobicContact CG-CB 4.3Å; P59-K62 HydrophobicContact CG-CD 4.3Å; P59-K62 PolarHBondContact O-N 2.89Å; P60-K62 PolarHBondContact O-N 3.46Å
63	G	96.1	Very high	97.4	Very high	55 Å²	55	52.4 Å²	52.4	57%	0.567	30%	0.301	S	S	*	.			trans	-73.2	179.9	173.1	0	0	0	0	0	113.1
64	L	97.1	Very high	97.3	Very high	120 Å²	120	54 Å²	54	63%	0.628	32%	0.318	S	S	*	.			trans	-70.2	137.1	172.7	-67	171.1	0	0	0	110.7	V56 R57 Q58 Y113	V56-L64 HydrophobicContact CG1-CB 3.73Å; V56-L64 HydrophobicContact CG1-CD2 3.75Å; V56-L64 HydrophobicContact CG1-CG 4.21Å; R57-L64 WeakPolarHBondContact O-CA 3.41Å; Q58-L64 HydrophobicContact CB-CD2 3.91Å; Q58-L64 HydrophobicContact CG-CD2 4.25Å; L64-Y113 HydrophobicContact CD2-CD2 4.4Å; L64-Y113 HydrophobicContact CD2-CE2 4.43Å
65	E	96.6	Very high	97.3	Very high	52 Å²	52	55.1 Å²	55.1	24%	0.243	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.6	175.5	-176.2	-175.5	-178.7	0	0	109.2	V56 R57 H79	V56-E65 CarbonylContact C-O 3.53Å; V56-E65 WeakPolarHBondContact CA-O 3.45Å; V56-E65 WeakPolarHBondContact CG1-O 3.38Å; R57-E65 HydrophobicContact CG-CB 4.07Å; R57-E65 IonicContact CZ-OE2 3.29Å; R57-E65 PolarHBondContact N-O 2.89Å; R57-E65 IonicContact NE-OE2 2.83Å; R57-E65 PolarHBondContact NE-OE2 2.99Å; R57-E65 IonicContact NH2-OE1 3.8Å; R57-E65 PolarHBondContact NH2-OE1 3.42Å; R57-E65 IonicContact NH2-OE2 3.41Å; R57-E65 PolarHBondContact NH2-OE2 2.93Å; R57-E65 PolarHBondContact O-N 2.86Å; E65-H79 IonicContact OE1-CE1 3.54Å; E65-H79 PolarHBondContact OE1-CE1 3.4Å; E65-H79 IonicContact OE1-ND1 3.38Å
66	W	97.5	Very high	97.3	Very high	99 Å²	99	57.5 Å²	57.5	38%	0.375	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	135.9	176.3	179.6	83.9	0	0	0	110.8	G68 V69 N77 Y78 H79	W66-G68 VanDerWaalsContact CZ2-C 3.45Å; W66-G68 PolarHBondContact NE1-O 2.02Å; W66-V69 HydrophobicContact CZ2-CB 4.19Å; W66-V69 HydrophobicContact CZ2-CG1 3.93Å; W66-N77 HydrophobicContact CH2-CB 4.01Å; W66-N77 HydrophobicContact CZ2-CB 4.43Å; W66-Y78 VanDerWaalsContact CZ3-C 3.43Å; W66-H79 HydrophobicContact CE3-CB 4Å; W66-H79 HydrophobicContact CZ3-CB 4.13Å; W66-H79 VanDerWaalsContact CZ3-N 3.32Å; W66-H79 WeakPolarHBondContact O-CB 3.33Å
67	L	97.4	Very high	97.3	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-39.7	-176.4	-60.1	-179.8	0	0	0	112.9	W55 R57 H79 L82 L86 L99 Y112	W55-L67 HydrophobicContact CB-CB 4.13Å; W55-L67 HydrophobicContact CB-CD1 4.28Å; W55-L67 WeakPolarHBondContact O-CB 3.33Å; W55-L67 PolarHBondContact O-N 2.76Å; R57-L67 HydrophobicContact CB-CD1 4.1Å; R57-L67 HydrophobicContact CB-CG 4.47Å; R57-L67 HydrophobicContact CG-CD1 4.32Å; R57-L67 HydrophobicContact CG-CD2 3.86Å; R57-L67 HydrophobicContact CG-CG 4.27Å; L67-H79 WeakPolarHBondContact O-CB 3.43Å; L67-H79 PolarHBondContact O-N 2.9Å; L67-L82 HydrophobicContact CD2-CD1 3.28Å; L67-L86 HydrophobicContact CB-CD1 4.19Å; L67-L86 HydrophobicContact CB-CD2 4.2Å; L67-L86 HydrophobicContact CD1-CD1 4.35Å; L67-L86 WeakPolarHBondContact O-CD2 3.44Å; L67-L99 HydrophobicContact CD1-CD2 3.89Å; L67-Y112 HydrophobicContact CD1-CD1 3.67Å; L67-Y112 HydrophobicContact CD1-CE1 3.59Å
68	G	98	Very high	97.3	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.7	173.8	-174.3	0	0	0	0	0	112.2	S54 W55 W66 N77	S54-G68 CarbonylContact C-O 3.59Å; S54-G68 WeakPolarHBondContact CA-O 3.47Å; W55-G68 PolarHBondContact N-O 2.79Å; W66-G68 VanDerWaalsContact CZ2-C 3.45Å; W66-G68 PolarHBondContact NE1-O 2.02Å; G68-N77 CarbonylContact C-O 3.58Å; G68-N77 WeakPolarHBondContact CA-O 3.41Å
69	V	98.3	Very high	97.2	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.024	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	145.1	177.5	63.4	0	0	0	0	109.2	V53 W66 W71 T76 N77	V53-V69 WeakPolarHBondContact O-CA 3.48Å; W66-V69 HydrophobicContact CZ2-CB 4.19Å; W66-V69 HydrophobicContact CZ2-CG1 3.93Å; V69-W71 HydrophobicContact CG1-CD2 4.39Å; V69-W71 HydrophobicContact CG1-CZ2 3.75Å; V69-W71 HydrophobicContact CG2-CD2 4.21Å; V69-W71 HydrophobicContact CG2-CE3 4.37Å; V69-W71 HydrophobicContact CG2-CH2 4.5Å; V69-W71 HydrophobicContact CG2-CZ2 4.34Å; V69-T76 VanDerWaalsContact O-CA 3.24Å; V69-T76 WeakPolarHBondContact O-CA 3.38Å; V69-N77 HydrophobicContact CG1-CB 3.94Å; V69-N77 PolarHBondContact N-O 2.87Å; V69-N77 PolarHBondContact O-N 2.77Å
70	I	98.6	Very high	97.1	Very high	10 Å²	10	66 Å²	66	5%	0.051	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.3	161.7	-172.2	163.5	0	0	0	108.9	G52 V53 S75 T76 I88 K90 V97	G52-I70 CarbonylContact C-O 3.48Å; G52-I70 WeakPolarHBondContact CA-O 3.34Å; V53-I70 PolarHBondContact N-O 2.7Å; V53-I70 PolarHBondContact O-N 3.28Å; V53-I70 VanDerWaalsContact O-N 3.11Å; I70-S75 WeakPolarHBondContact CA-O 3.41Å; I70-T76 HydrophobicContact CB-CG2 4.04Å; I70-T76 HydrophobicContact CD1-CG2 4.06Å; I70-T76 HydrophobicContact CG1-CG2 3.87Å; I70-I88 HydrophobicContact CB-CG2 3.69Å; I70-I88 HydrophobicContact CG2-CG2 3.61Å; I70-K90 HydrophobicContact CD1-CB 4.1Å; I70-K90 HydrophobicContact CD1-CD 3.9Å; I70-K90 HydrophobicContact CD1-CG 3.74Å; I70-K90 HydrophobicContact CG1-CD 4.1Å; I70-K90 HydrophobicContact CG1-CG 4.49Å; I70-K90 HydrophobicContact CG2-CD 4.47Å; I70-V97 HydrophobicContact CG2-CG1 3.7Å
71	W	98.4	Very high	96.9	Very high	115 Å²	115	64.6 Å²	64.6	44%	0.436	39%	0.386	S	S	.	.			trans	-85.7	170.4	-176.4	-63	106.5	0	0	0	112.3	V69 D73 G74 S75 N77 K90	V69-W71 HydrophobicContact CG1-CD2 4.39Å; V69-W71 HydrophobicContact CG1-CZ2 3.75Å; V69-W71 HydrophobicContact CG2-CD2 4.21Å; V69-W71 HydrophobicContact CG2-CE3 4.37Å; V69-W71 HydrophobicContact CG2-CH2 4.5Å; V69-W71 HydrophobicContact CG2-CZ2 4.34Å; W71-D73 VanDerWaalsContact CB-OD1 3.32Å; W71-D73 WeakPolarHBondContact CB-OD1 2.99Å; W71-D73 PolarHBondContact O-N 3.16Å; W71-G74 PolarHBondContact O-N 2.86Å; W71-S75 PolarHBondContact N-O 3.41Å; W71-N77 PolarHBondContact NE1-ND2 2.88Å; W71-K90 PolarHBondContact O-NZ 2.79Å
72	G	97.7	Very high	96.6	Very high	17 Å²	17	60.4 Å²	60.4	18%	0.175	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-36.9	178.3	0	0	0	0	0	113.5	L48 T49 G74 K90	L48-G72 WeakPolarHBondContact O-CA 3.37Å; T49-G72 CarbonylContact O-C 3.53Å; T49-G72 WeakPolarHBondContact O-CA 3.4Å; G72-G74 VanDerWaalsContact C-N 3.27Å; G72-G74 PolarHBondContact O-N 3.29Å; G72-K90 VanDerWaalsContact C-NZ 3.28Å; G72-K90 PolarHBondContact O-NZ 3.02Å
73	D	97.1	Very high	96.3	Very high	132 Å²	132	58.2 Å²	58.2	71%	0.706	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-7.6	176.3	68.2	-5.2	0	0	0	114.2	W71 S75	W71-D73 VanDerWaalsContact CB-OD1 3.32Å; W71-D73 WeakPolarHBondContact CB-OD1 2.99Å; W71-D73 PolarHBondContact O-N 3.16Å; D73-S75 WeakPolarHBondContact OD1-CB 2.97Å; D73-S75 PolarHBondContact OD1-N 3.38Å; D73-S75 PolarHBondContact OD1-OG 3.21Å; D73-S75 PolarHBondContact OD2-OG 3.44Å
74	G	97.6	Very high	96.3	Very high	35 Å²	35	60.6 Å²	60.6	36%	0.361	34%	0.343	S	S	.	.	S	Bend	trans	91.4	-1.8	-179.1	0	0	0	0	0	114.8	W71 G72	W71-G74 PolarHBondContact O-N 2.86Å; G72-G74 VanDerWaalsContact C-N 3.27Å; G72-G74 PolarHBondContact O-N 3.29Å
75	S	98	Very high	96.2	Very high	54 Å²	54	56.2 Å²	56.2	38%	0.378	32%	0.318	S	S	.	.			trans	-66.4	151	171.8	64	0	0	0	0	111.1	I70 W71 D73	I70-S75 WeakPolarHBondContact CA-O 3.41Å; W71-S75 PolarHBondContact N-O 3.41Å; D73-S75 WeakPolarHBondContact OD1-CB 2.97Å; D73-S75 PolarHBondContact OD1-N 3.38Å; D73-S75 PolarHBondContact OD1-OG 3.21Å; D73-S75 PolarHBondContact OD2-OG 3.44Å
76	T	98	Very high	96.2	Very high	49 Å²	49	54.2 Å²	54.2	30%	0.301	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138.6	-176.5	56.8	0	0	0	0	111.9	V69 I70 Y78	V69-T76 VanDerWaalsContact O-CA 3.24Å; V69-T76 WeakPolarHBondContact O-CA 3.38Å; I70-T76 HydrophobicContact CB-CG2 4.04Å; I70-T76 HydrophobicContact CD1-CG2 4.06Å; I70-T76 HydrophobicContact CG1-CG2 3.87Å; T76-Y78 VanDerWaalsContact OG1-CE2 3.29Å; T76-Y78 WeakPolarHBondContact OG1-CE2 3.27Å; T76-Y78 PolarHBondContact OG1-OH 2.81Å
77	N	97.4	Very high	96.2	Very high	85 Å²	85	52.1 Å²	52.1	46%	0.455	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	147.1	165.5	-63.5	-55.3	0	0	0	109.6	W66 G68 V69 W71	W66-N77 HydrophobicContact CH2-CB 4.01Å; W66-N77 HydrophobicContact CZ2-CB 4.43Å; G68-N77 CarbonylContact C-O 3.58Å; G68-N77 WeakPolarHBondContact CA-O 3.41Å; V69-N77 HydrophobicContact CG1-CB 3.94Å; V69-N77 PolarHBondContact N-O 2.87Å; V69-N77 PolarHBondContact O-N 2.77Å; W71-N77 PolarHBondContact NE1-ND2 2.88Å
78	Y	97.7	Very high	96.2	Very high	58 Å²	58	52.4 Å²	52.4	23%	0.227	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	151.8	-175.6	-61.5	-70.2	0	0	0	111.4	W66 T76 S80 I83 L86 I88	W66-Y78 VanDerWaalsContact CZ3-C 3.43Å; T76-Y78 VanDerWaalsContact OG1-CE2 3.29Å; T76-Y78 WeakPolarHBondContact OG1-CE2 3.27Å; T76-Y78 PolarHBondContact OG1-OH 2.81Å; Y78-S80 PolarHBondContact O-N 2.73Å; Y78-I83 HydrophobicContact CD2-CD1 4.25Å; Y78-I83 HydrophobicContact CD2-CG1 3.97Å; Y78-I83 HydrophobicContact CG-CG1 4.17Å; Y78-L86 HydrophobicContact CD1-CB 4.45Å; Y78-L86 HydrophobicContact CD1-CD2 3.52Å; Y78-L86 HydrophobicContact CE1-CD2 3.9Å; Y78-I88 HydrophobicContact CD1-CD1 4.13Å; Y78-I88 HydrophobicContact CE1-CB 4.22Å; Y78-I88 HydrophobicContact CE1-CD1 3.81Å; Y78-I88 HydrophobicContact CE1-CG1 3.89Å; Y78-I88 PolarHBondContact OH-N 2.85Å
79	H	95.2	Very high	96.2	Very high	56 Å²	56	55.1 Å²	55.1	26%	0.259	33%	0.33	S	S	.	.			trans	-65.7	125.6	166.4	-173.3	-128.2	0	0	0	109.2	E65 W66 L67 A81 L82 I83	E65-H79 IonicContact OE1-CE1 3.54Å; E65-H79 PolarHBondContact OE1-CE1 3.4Å; E65-H79 IonicContact OE1-ND1 3.38Å; W66-H79 HydrophobicContact CE3-CB 4Å; W66-H79 HydrophobicContact CZ3-CB 4.13Å; W66-H79 VanDerWaalsContact CZ3-N 3.32Å; W66-H79 WeakPolarHBondContact O-CB 3.33Å; L67-H79 WeakPolarHBondContact O-CB 3.43Å; L67-H79 PolarHBondContact O-N 2.9Å; H79-A81 PolarHBondContact O-N 3.45Å; H79-A81 VanDerWaalsContact O-N 3.12Å; H79-L82 PolarHBondContact O-N 2.82Å; H79-I83 PolarHBondContact O-N 2.93Å; H79-I83 VanDerWaalsContact O-N 3.12Å
80	S	93	Very high	96.2	Very high	100 Å²	100	57.1 Å²	57.1	70%	0.699	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-34	-170.5	54.3	0	0	0	0	113.4	Y78 L82 I83	Y78-S80 PolarHBondContact O-N 2.73Å; S80-L82 VanDerWaalsContact C-N 3.28Å; S80-L82 PolarHBondContact O-N 3.39Å; S80-I83 WeakPolarHBondContact O-CG2 3.34Å
81	A	91.7	Very high	96.2	Very high	71 Å²	71	58.6 Å²	58.6	59%	0.587	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-20	178.6	0	0	0	0	0	114.1	H79	H79-A81 PolarHBondContact O-N 3.45Å; H79-A81 VanDerWaalsContact O-N 3.12Å
82	L	90.7	Very high	96.1	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.037	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-4.7	-172.4	-62.4	174.7	0	0	0	113.6	L67 H79 S80 S84 R85 L86	L67-L82 HydrophobicContact CD2-CD1 3.28Å; H79-L82 PolarHBondContact O-N 2.82Å; S80-L82 VanDerWaalsContact C-N 3.28Å; S80-L82 PolarHBondContact O-N 3.39Å; L82-S84 PolarHBondContact O-N 3.12Å; L82-R85 PolarHBondContact O-N 3.41Å; L82-L86 HydrophobicContact CB-CB 4.41Å; L82-L86 WeakPolarHBondContact O-CB 3.49Å; L82-L86 PolarHBondContact O-N 3.05Å
83	I	91.2	Very high	96.1	Very high	102 Å²	102	61 Å²	61	52%	0.523	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-30.5	-174.3	-165.5	167.7	0	0	0	114	Y78 H79 S80 R85	Y78-I83 HydrophobicContact CD2-CD1 4.25Å; Y78-I83 HydrophobicContact CD2-CG1 3.97Å; Y78-I83 HydrophobicContact CG-CG1 4.17Å; H79-I83 PolarHBondContact O-N 2.93Å; H79-I83 VanDerWaalsContact O-N 3.12Å; S80-I83 WeakPolarHBondContact O-CG2 3.34Å; I83-R85 VanDerWaalsContact C-N 3.32Å; I83-R85 PolarHBondContact O-N 3.34Å
84	S	94.2	Very high	96.1	Very high	106 Å²	106	60.5 Å²	60.5	74%	0.741	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-17.6	179.6	59	0	0	0	0	113.9	L82	L82-S84 PolarHBondContact O-N 3.12Å
85	R	95.4	Very high	96.1	Very high	27 Å²	27	61.1 Å²	61.1	10%	0.102	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-24	-175	-59.2	-166.4	-62.4	114.7	-7.4	113.1	L82 I83 L101 N102 S103 D108	L82-R85 PolarHBondContact O-N 3.41Å; I83-R85 VanDerWaalsContact C-N 3.32Å; I83-R85 PolarHBondContact O-N 3.34Å; R85-L101 HydrophobicContact CB-CD1 3.68Å; R85-L101 WeakPolarHBondContact O-CA 3.46Å; R85-N102 WeakPolarHBondContact CB-O 3.35Å; R85-N102 PolarHBondContact NH1-O 2.95Å; R85-N102 PolarHBondContact O-N 3.37Å; R85-N102 PolarHBondContact O-ND2 2.87Å; R85-S103 PolarHBondContact NH1-O 2.81Å; R85-D108 IonicContact CZ-OD1 2.92Å; R85-D108 IonicContact CZ-OD2 2.7Å; R85-D108 IonicContact NH1-OD1 3.89Å; R85-D108 IonicContact NH1-OD2 3.16Å; R85-D108 PolarHBondContact NH1-OD2 2.73Å; R85-D108 IonicContact NH2-OD1 2.76Å; R85-D108 PolarHBondContact NH2-OD1 2.79Å; R85-D108 IonicContact NH2-OD2 3.26Å; R85-D108 PolarHBondContact NH2-OD2 2.75Å; R85-D108 VanDerWaalsContact NH2-OD2 3.16Å
86	L	96.3	Very high	96.1	Very high	11 Å²	11	60.8 Å²	60.8	6%	0.058	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	142.2	-174.4	-154.3	102.8	0	0	0	111.9	L67 Y78 L82 I88 L99 K100 L101	L67-L86 HydrophobicContact CB-CD1 4.19Å; L67-L86 HydrophobicContact CB-CD2 4.2Å; L67-L86 HydrophobicContact CD1-CD1 4.35Å; L67-L86 WeakPolarHBondContact O-CD2 3.44Å; Y78-L86 HydrophobicContact CD1-CB 4.45Å; Y78-L86 HydrophobicContact CD1-CD2 3.52Å; Y78-L86 HydrophobicContact CE1-CD2 3.9Å; L82-L86 HydrophobicContact CB-CB 4.41Å; L82-L86 WeakPolarHBondContact O-CB 3.49Å; L82-L86 PolarHBondContact O-N 3.05Å; L86-I88 HydrophobicContact CD2-CD1 3.88Å; L86-I88 HydrophobicContact CD2-CG1 4Å; L86-L99 HydrophobicContact CD1-CD1 3.76Å; L86-L99 HydrophobicContact CD2-CD1 3.81Å; L86-L99 HydrophobicContact CG-CD1 3.73Å; L86-K100 CarbonylContact C-O 3.57Å; L86-K100 WeakPolarHBondContact CA-O 3.5Å; L86-L101 HydrophobicContact CB-CD1 4.42Å; L86-L101 HydrophobicContact CD1-CD1 3.95Å
87	S	97.6	Very high	96.2	Very high	54 Å²	54	58.5 Å²	58.5	38%	0.378	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	134.3	170.3	176.6	0	0	0	0	109.2	K100	S87-K100 PolarHBondContact N-O 3.28Å; S87-K100 PolarHBondContact O-N 3.4Å
88	I	98.3	Very high	96.2	Very high	8 Å²	8	56.9 Å²	56.9	4%	0.041	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.2	176.3	-58.9	162.7	0	0	0	108.5	I70 Y78 L86 V97 F98 L99	I70-I88 HydrophobicContact CB-CG2 3.69Å; I70-I88 HydrophobicContact CG2-CG2 3.61Å; Y78-I88 HydrophobicContact CD1-CD1 4.13Å; Y78-I88 HydrophobicContact CE1-CB 4.22Å; Y78-I88 HydrophobicContact CE1-CD1 3.81Å; Y78-I88 HydrophobicContact CE1-CG1 3.89Å; Y78-I88 PolarHBondContact OH-N 2.85Å; L86-I88 HydrophobicContact CD2-CD1 3.88Å; L86-I88 HydrophobicContact CD2-CG1 4Å; I88-V97 HydrophobicContact CG2-CG1 3.99Å; I88-F98 VanDerWaalsContact CA-O 3.3Å; I88-F98 WeakPolarHBondContact CA-O 3.3Å; I88-L99 HydrophobicContact CD1-CD1 4.35Å; I88-L99 HydrophobicContact CG1-CD1 3.66Å
89	S	98.1	Very high	96.2	Very high	57 Å²	57	54.2 Å²	54.2	40%	0.399	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	169.2	174.4	67.6	0	0	0	0	110.9	V97 F98	S89-V97 CarbonylContact O-C 3.44Å; S89-V97 WeakPolarHBondContact O-CA 3.43Å; S89-V97 WeakPolarHBondContact O-CG1 3.44Å; S89-F98 PolarHBondContact N-O 3.26Å; S89-F98 PolarHBondContact O-N 2.98Å
90	K	98.2	Very high	96.3	Very high	45 Å²	45	56.2 Å²	56.2	20%	0.196	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	150.8	178.1	69.8	-176.8	-174.4	178.3	0	112.4	L48 I70 W71 G72 Q96 V97	L48-K90 HydrophobicContact CB-CD 4.49Å; L48-K90 PolarHBondContact O-NZ 2.86Å; I70-K90 HydrophobicContact CD1-CB 4.1Å; I70-K90 HydrophobicContact CD1-CD 3.9Å; I70-K90 HydrophobicContact CD1-CG 3.74Å; I70-K90 HydrophobicContact CG1-CD 4.1Å; I70-K90 HydrophobicContact CG1-CG 4.49Å; I70-K90 HydrophobicContact CG2-CD 4.47Å; W71-K90 PolarHBondContact O-NZ 2.79Å; G72-K90 VanDerWaalsContact C-NZ 3.28Å; G72-K90 PolarHBondContact O-NZ 3.02Å; K90-Q96 CarbonylContact C-O 3.58Å; K90-Q96 VanDerWaalsContact CA-O 3.3Å; K90-Q96 WeakPolarHBondContact CA-O 3.3Å; K90-V97 HydrophobicContact CB-CG2 4.14Å
91	D	97.9	Very high	96.5	Very high	42 Å²	42	51.4 Å²	51.4	23%	0.225	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	101.1	170.8	-176.6	-15.3	0	0	0	108.4	S93 K94 S95 Q96 F98	D91-S93 PolarHBondContact O-N 2.81Å; D91-S93 WeakPolarHBondContact OD1-CB 3.44Å; D91-S93 PolarHBondContact OD1-N 2.82Å; D91-S93 PolarHBondContact OD1-OG 2.88Å; D91-K94 HydrophobicContact CB-CB 4.41Å; D91-K94 PolarHBondContact O-N 3.42Å; D91-K94 PolarHBondContact OD1-N 3.11Å; D91-K94 WeakPolarHBondContact OD2-CD 3.32Å; D91-K94 VanDerWaalsContact OD2-CE 3.26Å; D91-K94 WeakPolarHBondContact OD2-CE 3.28Å; D91-K94 WeakPolarHBondContact OD2-CG 3.32Å; D91-K94 IonicContact OD2-NZ 3.73Å; D91-K94 PolarHBondContact OD2-NZ 3.5Å; D91-S95 PolarHBondContact O-N 3.05Å; D91-S95 VanDerWaalsContact O-N 3.1Å; D91-Q96 PolarHBondContact N-O 3.12Å; D91-Q96 PolarHBondContact O-N 3.02Å; D91-F98 HydrophobicContact CB-CE2 3.91Å; D91-F98 HydrophobicContact CB-CZ 4.47Å
92	N	97.4	Very high	96.7	Very high	75 Å²	75	50.5 Å²	50.5	40%	0.401	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-63.4	-31.7	-178.5	-64.9	-16	0	0	0	112.1	L48 T49 K94 S95	L48-N92 WeakPolarHBondContact CB-OD1 3.32Å; T49-N92 WeakPolarHBondContact CG2-ND2 3.01Å; N92-K94 PolarHBondContact O-N 2.91Å; N92-S95 PolarHBondContact O-N 2.95Å
93	S	96.8	Very high	96.9	Very high	107 Å²	107	53.7 Å²	53.7	75%	0.748	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-69.6	-25.3	-177.9	74	0	0	0	0	112.6	D91	D91-S93 PolarHBondContact O-N 2.81Å; D91-S93 WeakPolarHBondContact OD1-CB 3.44Å; D91-S93 PolarHBondContact OD1-N 2.82Å; D91-S93 PolarHBondContact OD1-OG 2.88Å
94	K	97.6	Very high	97.1	Very high	122 Å²	122	49.7 Å²	49.7	53%	0.53	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-104.7	-0.7	177.8	-62.4	-179.3	-168.3	152.3	0	113.4	D91 N92 Q96	D91-K94 HydrophobicContact CB-CB 4.41Å; D91-K94 PolarHBondContact O-N 3.42Å; D91-K94 PolarHBondContact OD1-N 3.11Å; D91-K94 WeakPolarHBondContact OD2-CD 3.32Å; D91-K94 VanDerWaalsContact OD2-CE 3.26Å; D91-K94 WeakPolarHBondContact OD2-CE 3.28Å; D91-K94 WeakPolarHBondContact OD2-CG 3.32Å; D91-K94 IonicContact OD2-NZ 3.73Å; D91-K94 PolarHBondContact OD2-NZ 3.5Å; N92-K94 PolarHBondContact O-N 2.91Å; K94-Q96 HydrophobicContact CB-CB 4.27Å; K94-Q96 HydrophobicContact CB-CG 4.16Å; K94-Q96 WeakPolarHBondContact O-CG 3.38Å; K94-Q96 PolarHBondContact O-N 2.93Å
95	S	97.4	Very high	97.1	Very high	48 Å²	48	49.3 Å²	49.3	34%	0.336	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	45.3	-171.6	-52.9	0	0	0	0	111.8	T42 V43 D91 N92	T42-S95 WeakPolarHBondContact CA-O 3.29Å; V43-S95 PolarHBondContact N-O 2.89Å; V43-S95 VanDerWaalsContact O-CB 3.26Å; V43-S95 WeakPolarHBondContact O-CB 3.28Å; D91-S95 PolarHBondContact O-N 3.05Å; D91-S95 VanDerWaalsContact O-N 3.1Å; N92-S95 PolarHBondContact O-N 2.95Å
96	Q	98.6	Very high	96.9	Very high	47 Å²	47	53.6 Å²	53.6	22%	0.22	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	141.9	-175.8	-78.6	174.3	1.5	0	0	112.5	T40 C41 T42 K90 D91 K94 F98	T40-Q96 HydrophobicContact CG2-CB 4.06Å; T40-Q96 HydrophobicContact CG2-CG 3.8Å; C41-Q96 CarbonylContact O-C 3.47Å; C41-Q96 VanDerWaalsContact O-CA 3.3Å; C41-Q96 WeakPolarHBondContact O-CA 3.26Å; T42-Q96 HydrophobicContact CG2-CG 4.43Å; K90-Q96 CarbonylContact C-O 3.58Å; K90-Q96 VanDerWaalsContact CA-O 3.3Å; K90-Q96 WeakPolarHBondContact CA-O 3.3Å; D91-Q96 PolarHBondContact N-O 3.12Å; D91-Q96 PolarHBondContact O-N 3.02Å; K94-Q96 HydrophobicContact CB-CB 4.27Å; K94-Q96 HydrophobicContact CB-CG 4.16Å; K94-Q96 WeakPolarHBondContact O-CG 3.38Å; K94-Q96 PolarHBondContact O-N 2.93Å; Q96-F98 HydrophobicContact CB-CE1 4.27Å; Q96-F98 HydrophobicContact CB-CE2 4.06Å; Q96-F98 HydrophobicContact CB-CZ 3.69Å
97	V	98.7	Very high	96.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.3	171.3	-176.6	0	0	0	0	108	T40 C41 L48 V53 W55 I70 I88 S89 K90	T40-V97 CarbonylContact C-O 3.54Å; T40-V97 WeakPolarHBondContact CA-O 3.41Å; C41-V97 HydrophobicContact CB-CB 4.43Å; C41-V97 PolarHBondContact N-O 3.25Å; C41-V97 PolarHBondContact O-N 2.94Å; L48-V97 HydrophobicContact CD1-CG2 3.89Å; L48-V97 HydrophobicContact CD2-CG2 3.58Å; L48-V97 HydrophobicContact CG-CG2 4.42Å; V53-V97 HydrophobicContact CB-CB 4.5Å; V53-V97 HydrophobicContact CB-CG1 4.38Å; V53-V97 HydrophobicContact CB-CG2 3.94Å; V53-V97 HydrophobicContact CG1-CB 4.42Å; V53-V97 HydrophobicContact CG1-CG1 4.41Å; V53-V97 HydrophobicContact CG1-CG2 4.28Å; V53-V97 HydrophobicContact CG2-CG2 3.88Å; W55-V97 HydrophobicContact CZ2-CG1 4.32Å; I70-V97 HydrophobicContact CG2-CG1 3.7Å; I88-V97 HydrophobicContact CG2-CG1 3.99Å; S89-V97 CarbonylContact O-C 3.44Å; S89-V97 WeakPolarHBondContact O-CA 3.43Å; S89-V97 WeakPolarHBondContact O-CG1 3.44Å; K90-V97 HydrophobicContact CB-CG2 4.14Å
98	F	98.5	Very high	96.6	Very high	51 Å²	51	55.3 Å²	55.3	22%	0.224	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.9	-176.4	-52.6	-81.9	0	0	0	109.9	I39 T40 I88 S89 D91 Q96	I39-F98 WeakPolarHBondContact O-CA 3.38Å; T40-F98 HydrophobicContact CG2-CD1 3.88Å; T40-F98 HydrophobicContact CG2-CE1 3.54Å; T40-F98 HydrophobicContact CG2-CZ 4.38Å; T40-F98 WeakPolarHBondContact OG1-CD1 3.48Å; T40-F98 WeakPolarHBondContact OG1-CE1 3.4Å; I88-F98 VanDerWaalsContact CA-O 3.3Å; I88-F98 WeakPolarHBondContact CA-O 3.3Å; S89-F98 PolarHBondContact N-O 3.26Å; S89-F98 PolarHBondContact O-N 2.98Å; D91-F98 HydrophobicContact CB-CE2 3.91Å; D91-F98 HydrophobicContact CB-CZ 4.47Å; Q96-F98 HydrophobicContact CB-CE1 4.27Å; Q96-F98 HydrophobicContact CB-CE2 4.06Å; Q96-F98 HydrophobicContact CB-CZ 3.69Å
99	L	98.3	Very high	96.4	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.2	167.1	-177.1	69.3	0	0	0	108.4	S38 I39 W55 L67 L86 I88 Y112	S38-L99 CarbonylContact C-O 3.56Å; S38-L99 WeakPolarHBondContact CA-O 3.32Å; I39-L99 PolarHBondContact N-O 3.01Å; I39-L99 PolarHBondContact O-N 3.43Å; W55-L99 HydrophobicContact CB-CD1 4.16Å; W55-L99 HydrophobicContact CB-CD2 4.2Å; W55-L99 HydrophobicContact CD2-CB 3.71Å; W55-L99 HydrophobicContact CD2-CD1 4.38Å; W55-L99 HydrophobicContact CD2-CD2 3.93Å; W55-L99 HydrophobicContact CD2-CG 4.23Å; W55-L99 HydrophobicContact CE3-CB 4.14Å; W55-L99 HydrophobicContact CE3-CD2 3.92Å; W55-L99 HydrophobicContact CG-CB 4.11Å; W55-L99 HydrophobicContact CG-CD1 3.9Å; W55-L99 HydrophobicContact CG-CD2 4.07Å; W55-L99 HydrophobicContact CG-CG 4.26Å; W55-L99 HydrophobicContact CH2-CB 4.24Å; W55-L99 HydrophobicContact CZ2-CB 3.85Å; W55-L99 HydrophobicContact CZ3-CB 4.4Å; L67-L99 HydrophobicContact CD1-CD2 3.89Å; L86-L99 HydrophobicContact CD1-CD1 3.76Å; L86-L99 HydrophobicContact CD2-CD1 3.81Å; L86-L99 HydrophobicContact CG-CD1 3.73Å; I88-L99 HydrophobicContact CD1-CD1 4.35Å; I88-L99 HydrophobicContact CG1-CD1 3.66Å; L99-Y112 HydrophobicContact CD2-CD1 3.69Å; L99-Y112 HydrophobicContact CD2-CE1 4.06Å
100	K	97.5	Very high	96.3	Very high	98 Å²	98	57.6 Å²	57.6	43%	0.426	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.3	170.4	-170.1	175.5	-176.7	-179.4	0	109.5	L37 L86 S87 N102	L37-K100 VanDerWaalsContact O-CA 3.32Å; L37-K100 WeakPolarHBondContact O-CA 3.45Å; L86-K100 CarbonylContact C-O 3.57Å; L86-K100 WeakPolarHBondContact CA-O 3.5Å; S87-K100 PolarHBondContact N-O 3.28Å; S87-K100 PolarHBondContact O-N 3.4Å; K100-N102 VanDerWaalsContact CE-OD1 3.28Å; K100-N102 WeakPolarHBondContact CE-OD1 3Å
101	L	96.6	Very high	96.3	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	117.8	174.7	-178.5	62.3	0	0	0	108.4	S36 L37 R85 L86 L104 D108 Y112	S36-L101 CarbonylContact C-O 3.57Å; S36-L101 VanDerWaalsContact CA-O 3.28Å; S36-L101 WeakPolarHBondContact CA-O 3.47Å; L37-L101 HydrophobicContact CB-CB 4.32Å; L37-L101 PolarHBondContact N-O 2.87Å; L37-L101 PolarHBondContact O-N 2.81Å; R85-L101 HydrophobicContact CB-CD1 3.68Å; R85-L101 WeakPolarHBondContact O-CA 3.46Å; L86-L101 HydrophobicContact CB-CD1 4.42Å; L86-L101 HydrophobicContact CD1-CD1 3.95Å; L101-L104 HydrophobicContact CD2-CD2 3.9Å; L101-L104 HydrophobicContact CG-CD2 4.24Å; L101-D108 HydrophobicContact CD2-CB 4.03Å; L101-Y112 WeakPolarHBondContact CD2-OH 3.42Å
102	N	95.9	Very high	96.2	Very high	52 Å²	52	58.2 Å²	58.2	28%	0.278	32%	0.324	S	S	.	.			trans	-92.9	157.9	-178.7	-60.1	-58.6	0	0	0	111.4	S36 R85 K100 L104	S36-N102 PolarHBondContact OG-OD1 3.32Å; R85-N102 WeakPolarHBondContact CB-O 3.35Å; R85-N102 PolarHBondContact NH1-O 2.95Å; R85-N102 PolarHBondContact O-N 3.37Å; R85-N102 PolarHBondContact O-ND2 2.87Å; K100-N102 VanDerWaalsContact CE-OD1 3.28Å; K100-N102 WeakPolarHBondContact CE-OD1 3Å; N102-L104 PolarHBondContact O-N 3.1Å
103	S	94.9	Very high	96.2	Very high	73 Å²	73	58.9 Å²	58.9	51%	0.51	32%	0.321	S	S	.	.	S	Bend	trans	51	59	176.7	-54.6	0	0	0	0	111.1	Q35 R85 Q105	Q35-S103 PolarHBondContact O-N 3.18Å; R85-S103 PolarHBondContact NH1-O 2.81Å; S103-Q105 PolarHBondContact O-N 3.34Å
104	L	95	Very high	96.3	Very high	18 Å²	18	54.1 Å²	54.1	9%	0.094	29%	0.288	C	S	.	.			trans	-53.2	132.8	-178.6	-81.6	170.4	0	0	0	111.7	V31 S34 Q35 L37 L101 N102 D108	V31-L104 HydrophobicContact CB-CD1 3.62Å; V31-L104 HydrophobicContact CG1-CD1 3.39Å; S34-L104 PolarHBondContact N-O 2.81Å; Q35-L104 WeakPolarHBondContact O-CB 3.02Å; Q35-L104 WeakPolarHBondContact O-CG 3.24Å; Q35-L104 PolarHBondContact O-N 3.3Å; L37-L104 HydrophobicContact CB-CD1 3.99Å; L37-L104 HydrophobicContact CB-CD2 3.95Å; L37-L104 HydrophobicContact CB-CG 4.21Å; L37-L104 HydrophobicContact CD2-CD2 4.38Å; L101-L104 HydrophobicContact CD2-CD2 3.9Å; L101-L104 HydrophobicContact CG-CD2 4.24Å; N102-L104 PolarHBondContact O-N 3.1Å; L104-D108 HydrophobicContact CD2-CB 3.87Å
105	Q	94.2	Very high	96.1	Very high	99 Å²	99	52.3 Å²	52.3	46%	0.463	30%	0.296	S	S	.	.			trans	-111.2	159.7	177.1	-68.4	174.2	-31.1	0	0	109.4	S103 D107 D108	S103-Q105 PolarHBondContact O-N 3.34Å; Q105-D107 WeakPolarHBondContact CB-OD1 3.41Å; Q105-D107 PolarHBondContact O-N 2.75Å; Q105-D108 PolarHBondContact N-OD2 3.39Å; Q105-D108 VanDerWaalsContact O-CB 3.29Å; Q105-D108 WeakPolarHBondContact O-CB 3.26Å; Q105-D108 PolarHBondContact O-N 3.1Å
106	T	92.1	Very high	96.1	Very high	116 Å²	116	52.6 Å²	52.6	71%	0.712	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-61.6	-30.8	-178.6	-48.9	0	0	0	0	112.4	D108 T109	T106-D108 PolarHBondContact O-N 3.26Å; T106-T109 WeakPolarHBondContact O-CB 3.2Å; T106-T109 PolarHBondContact O-N 3.17Å; T106-T109 PolarHBondContact O-OG1 2.86Å
107	D	92.1	Very high	96	Very high	95 Å²	95	52.8 Å²	52.8	51%	0.508	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-70.9	-12.7	175.7	67.6	-23.7	0	0	0	113.7	Q105 T109	Q105-D107 WeakPolarHBondContact CB-OD1 3.41Å; Q105-D107 PolarHBondContact O-N 2.75Å; D107-T109 PolarHBondContact O-N 3.37Å
108	D	94.6	Very high	95.8	Very high	6 Å²	6	55.8 Å²	55.8	3%	0.032	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-79.2	-3.4	172.7	-60	-43.5	0	0	0	113	R57 R85 L101 L104 Q105 T106 A110 Y112	R57-D108 IonicContact CZ-OD1 2.73Å; R57-D108 IonicContact NH1-OD1 3.2Å; R57-D108 PolarHBondContact NH1-OD1 3Å; R85-D108 IonicContact CZ-OD1 2.92Å; R85-D108 IonicContact CZ-OD2 2.7Å; R85-D108 IonicContact NH1-OD1 3.89Å; R85-D108 IonicContact NH1-OD2 3.16Å; R85-D108 PolarHBondContact NH1-OD2 2.73Å; R85-D108 IonicContact NH2-OD1 2.76Å; R85-D108 PolarHBondContact NH2-OD1 2.79Å; R85-D108 IonicContact NH2-OD2 3.26Å; R85-D108 PolarHBondContact NH2-OD2 2.75Å; R85-D108 VanDerWaalsContact NH2-OD2 3.16Å; L101-D108 HydrophobicContact CD2-CB 4.03Å; L104-D108 HydrophobicContact CD2-CB 3.87Å; Q105-D108 PolarHBondContact N-OD2 3.39Å; Q105-D108 VanDerWaalsContact O-CB 3.29Å; Q105-D108 WeakPolarHBondContact O-CB 3.26Å; Q105-D108 PolarHBondContact O-N 3.1Å; T106-D108 PolarHBondContact O-N 3.26Å; D108-A110 PolarHBondContact O-N 2.95Å; D108-Y112 PolarHBondContact O-OH 2.61Å
109	T	95	Very high	95.7	Very high	89 Å²	89	56.1 Å²	56.1	55%	0.546	32%	0.32	S	S	.	.			trans	-64.2	104.7	175.9	-54.6	0	0	0	0	110.1	P60 T106 D107	P60-T109 WeakPolarHBondContact CD-O 3.47Å; T106-T109 WeakPolarHBondContact O-CB 3.2Å; T106-T109 PolarHBondContact O-N 3.17Å; T106-T109 PolarHBondContact O-OG1 2.86Å; D107-T109 PolarHBondContact O-N 3.37Å
110	A	96	Very high	95.5	Very high	24 Å²	24	59.4 Å²	59.4	20%	0.198	34%	0.339	C	S	.	.	S	Bend	trans	-159.2	164.5	-176.1	0	0	0	0	0	111.6	R57 Q58 P59 D108 Y112	R57-A110 HydrophobicContact CB-CB 3.79Å; R57-A110 HydrophobicContact CG-CB 4.13Å; Q58-A110 WeakPolarHBondContact O-CA 3.46Å; Q58-A110 WeakPolarHBondContact O-CB 3.3Å; P59-A110 HydrophobicContact CB-CB 4.44Å; P59-A110 HydrophobicContact CG-CB 4.29Å; D108-A110 PolarHBondContact O-N 2.95Å; A110-Y112 HydrophobicContact CB-CD2 4.49Å; A110-Y112 HydrophobicContact CB-CE2 4.08Å; A110-Y112 WeakPolarHBondContact O-CD2 3.36Å
111	T	96.4	Very high	95.4	Very high	77 Å²	77	56.9 Å²	56.9	47%	0.472	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	133.6	162.4	-50.2	0	0	0	0	108.7	R57 Q58 Y113	R57-T111 CarbonylContact C-O 3.45Å; R57-T111 VanDerWaalsContact CA-O 3.23Å; R57-T111 WeakPolarHBondContact CA-O 3.47Å; Q58-T111 PolarHBondContact N-O 3.4Å; Q58-T111 PolarHBondContact O-N 3.28Å; T111-Y113 HydrophobicContact CG2-CE1 3.75Å; T111-Y113 HydrophobicContact CG2-CE2 3.88Å; T111-Y113 WeakPolarHBondContact CG2-OH 3.29Å
112	Y	97.2	Very high	95.3	Very high	24 Å²	24	60.9 Å²	60.9	9%	0.094	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.6	-176.6	-72	-102.7	0	0	0	110.2	L37 I39 R57 L67 L99 L101 D108 A110	L37-Y112 HydrophobicContact CD2-CD2 4.25Å; L37-Y112 HydrophobicContact CD2-CE1 4.28Å; L37-Y112 HydrophobicContact CD2-CE2 3.77Å; I39-Y112 HydrophobicContact CD1-CD1 4.01Å; I39-Y112 HydrophobicContact CD1-CD2 3.92Å; I39-Y112 HydrophobicContact CD1-CG 3.55Å; R57-Y112 HydrophobicContact CB-CD1 3.9Å; R57-Y112 HydrophobicContact CB-CE1 3.94Å; R57-Y112 HydrophobicContact CB-CG 4.25Å; L67-Y112 HydrophobicContact CD1-CD1 3.67Å; L67-Y112 HydrophobicContact CD1-CE1 3.59Å; L99-Y112 HydrophobicContact CD2-CD1 3.69Å; L99-Y112 HydrophobicContact CD2-CE1 4.06Å; L101-Y112 WeakPolarHBondContact CD2-OH 3.42Å; D108-Y112 PolarHBondContact O-OH 2.61Å; A110-Y112 HydrophobicContact CB-CD2 4.49Å; A110-Y112 HydrophobicContact CB-CE2 4.08Å; A110-Y112 WeakPolarHBondContact O-CD2 3.36Å
113	Y	97.6	Very high	95.2	Very high	88 Å²	88	61.6 Å²	61.6	35%	0.345	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143.3	-176.9	-54.4	-77.5	0	0	0	110.1	E25 W55 V56 Q58 L64 T111	E25-Y113 WeakPolarHBondContact OE1-CA 3.44Å; W55-Y113 WeakPolarHBondContact CA-O 3.32Å; V56-Y113 PolarHBondContact N-O 3.4Å; V56-Y113 PolarHBondContact O-N 3Å; Q58-Y113 HydrophobicContact CB-CE2 3.93Å; L64-Y113 HydrophobicContact CD2-CD2 4.4Å; L64-Y113 HydrophobicContact CD2-CE2 4.43Å; T111-Y113 HydrophobicContact CG2-CE1 3.75Å; T111-Y113 HydrophobicContact CG2-CE2 3.88Å; T111-Y113 WeakPolarHBondContact CG2-OH 3.29Å
114	C	97.9	Very high	95.2	Very high	7 Å²	7	60.7 Å²	60.7	5%	0.047	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	148.3	160.7	53.8	0	0	0	0	110.1	L23 E25 C41 V53 S54 W55	L23-C114 VanDerWaalsContact CD1-O 3.28Å; L23-C114 WeakPolarHBondContact CD1-O 3.46Å; E25-C114 PolarHBondContact OE1-N 2.8Å; E25-C114 PolarHBondContact OE1-SG 3.33Å; C41-C114 HydrophobicContact CB-CB 3.45Å; C41-C114 VanDerWaalsContact CB-CB 3.45Å; C41-C114 WeakPolarHBondContact CB-SG 3.35Å; C41-C114 WeakPolarHBondContact SG-CB 3.47Å; C41-C114 CovalentContact SG-SG 2.02Å; C41-C114 PolarHBondContact SG-SG 2.96Å; V53-C114 HydrophobicContact CG1-CB 3.77Å; S54-C114 CarbonylContact O-C 3.51Å; S54-C114 VanDerWaalsContact O-CA 3.27Å; S54-C114 WeakPolarHBondContact O-CA 3.42Å; W55-C114 HydrophobicContact CD2-CB 4.37Å; W55-C114 HydrophobicContact CE3-CB 4.12Å; W55-C114 HydrophobicContact CH2-CB 4.12Å; W55-C114 HydrophobicContact CZ2-CB 4.34Å; W55-C114 HydrophobicContact CZ3-CB 3.99Å
115	A	94.8	Very high	95.3	Very high	85 Å²	85	64.5 Å²	64.5	70%	0.702	38%	0.375	S	S	*	.			trans	-143.4	0	-175.3	0	0	0	0	0	112.3	V53 S54	V53-A115 CarbonylContact C-O 3.54Å; S54-A115 PolarHBondContact N-O 2.68Å; S54-A115 PolarHBondContact O-N 2.91Å

Retrieved 115 of 115 residues in 115.9 ms (Link to these results)

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