A0A075B697_MOUSE Loading...

Immunoglobulin heavy variable 2-9-1

AlphaFold DB , UniProt , Accession A0A075B697, Species MOUSE (Mus musculus, Mouse), Gene Ighv2-9-1, Length 116 aa.

						>A0A075B697_MOUSE|A0A075B697|Ighv2-9-1
MAVLALLLCLVTFPSCALSQVQLKESGPGLVAPSQSLSITCTVSGFSLTSYAISWVRQPPGKGLEWLGVIWTGGGTNYNSALKSRLSISKDNSKSQVFLKMNSLQTDDTARYYCAR
					

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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	67.1	Low	71.4	Confident	204 Å²	204	109.6 Å²	109.6	100%	1.005	63%	0.632	S	S	*	*				0	-48.7	0	-75.4	174.5	58	0	0	113.1	V3 L4 A5	M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 3.2Å; M1-L4 PolarHBondContact O-N 3.31Å; M1-A5 PolarHBondContact O-N 3.43Å; M1-A5 VanDerWaalsContact O-N 3.12Å
2	A	75.8	Confident	70.9	Confident	82 Å²	82	108 Å²	108	68%	0.678	63%	0.625	S	S	*	*	H	α-helix	trans	-57.5	-38.6	179.8	0	0	0	0	0	114.5	A5 L6	A2-A5 PolarHBondContact O-N 3.05Å; A2-L6 PolarHBondContact O-N 3.12Å
3	V	80.2	Confident	70.2	Confident	107 Å²	107	113.2 Å²	113.2	65%	0.648	64%	0.636	S	S	*	*	H	α-helix	trans	-65.7	-39.1	178.2	-175.9	0	0	0	0	112.1	M1 L6 L7	M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 3.2Å; V3-L6 PolarHBondContact O-N 3.31Å; V3-L7 HydrophobicContact CG1-CD1 4.23Å; V3-L7 WeakPolarHBondContact O-CG 3.32Å; V3-L7 PolarHBondContact O-N 2.98Å
4	L	75.1	Confident	69.7	Low	120 Å²	120	111.6 Å²	111.6	63%	0.628	63%	0.633	S	S	*	*	H	α-helix	trans	-67.4	-38.9	175	-92.6	117.6	0	0	0	111.8	M1 L7 L8	M1-L4 PolarHBondContact O-N 3.31Å; L4-L7 PolarHBondContact O-N 2.84Å; L4-L8 WeakPolarHBondContact O-CB 3.4Å; L4-L8 VanDerWaalsContact O-CG 3.26Å; L4-L8 WeakPolarHBondContact O-CG 3.12Å; L4-L8 PolarHBondContact O-N 3.21Å
5	A	74.1	Confident	69.2	Low	53 Å²	53	111.5 Å²	111.5	44%	0.438	64%	0.642	S	S	.	*	H	α-helix	trans	-64.6	-40.5	175.5	0	0	0	0	0	111.9	M1 A2 L8 C9	M1-A5 PolarHBondContact O-N 3.43Å; M1-A5 VanDerWaalsContact O-N 3.12Å; A2-A5 PolarHBondContact O-N 3.05Å; A5-L8 PolarHBondContact O-N 3.05Å; A5-C9 PolarHBondContact O-N 3.35Å; A5-C9 PolarHBondContact O-SG 3.26Å
6	L	70.7	Confident	68.8	Low	122 Å²	122	112 Å²	112	64%	0.639	65%	0.652	S	S	*	*	H	α-helix	trans	-64.7	-41.9	176.5	-158.7	83.9	0	0	0	112	A2 V3 C9 L10	A2-L6 PolarHBondContact O-N 3.12Å; V3-L6 PolarHBondContact O-N 3.31Å; L6-C9 PolarHBondContact O-N 3.24Å; L6-L10 PolarHBondContact O-N 3.47Å
7	L	71.9	Confident	68.8	Low	106 Å²	106	110.6 Å²	110.6	56%	0.555	66%	0.657	S	S	*	*	H	α-helix	trans	-64.3	-39.2	175	-72.4	167.4	0	0	0	111.9	V3 L4 L10 V11	V3-L7 HydrophobicContact CG1-CD1 4.23Å; V3-L7 WeakPolarHBondContact O-CG 3.32Å; V3-L7 PolarHBondContact O-N 2.98Å; L4-L7 PolarHBondContact O-N 2.84Å; L7-L10 PolarHBondContact O-N 3.32Å; L7-V11 PolarHBondContact O-N 3.49Å
8	L	67.8	Low	68.7	Low	108 Å²	108	113.4 Å²	113.4	57%	0.565	67%	0.668	S	S	*	*	H	α-helix	trans	-66.4	-36.3	175.5	-73.5	167.1	0	0	0	112.7	L4 A5 L10 V11 T12	L4-L8 WeakPolarHBondContact O-CB 3.4Å; L4-L8 VanDerWaalsContact O-CG 3.26Å; L4-L8 WeakPolarHBondContact O-CG 3.12Å; L4-L8 PolarHBondContact O-N 3.21Å; A5-L8 PolarHBondContact O-N 3.05Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 2.97Å; L8-V11 HydrophobicContact CD2-CG2 4.45Å; L8-V11 WeakPolarHBondContact O-CG2 3.2Å; L8-V11 PolarHBondContact O-N 3.39Å; L8-T12 PolarHBondContact O-N 3.44Å; L8-T12 PolarHBondContact O-OG1 3.29Å
9	C	68.2	Low	68.9	Low	76 Å²	76	112.4 Å²	112.4	51%	0.514	67%	0.667	S	S	.	*	H	α-helix	trans	-66.3	-32.3	174.6	-74.9	0	0	0	0	113.2	A5 L6 T12	A5-C9 PolarHBondContact O-N 3.35Å; A5-C9 PolarHBondContact O-SG 3.26Å; L6-C9 PolarHBondContact O-N 3.24Å; C9-T12 PolarHBondContact O-OG1 3.36Å
10	L	66.2	Low	69.9	Low	125 Å²	125	114 Å²	114	65%	0.654	67%	0.667	S	S	*	*	H	α-helix	trans	-72.8	-29.2	178.3	-70.9	167.6	0	0	0	112.6	L6 L7 L8	L6-L10 PolarHBondContact O-N 3.47Å; L7-L10 PolarHBondContact O-N 3.32Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 2.97Å
11	V	68.1	Low	71.1	Confident	103 Å²	103	111 Å²	111	62%	0.624	65%	0.65	S	S	*	*	H	α-helix	trans	-83.5	-19.4	178.6	-71.3	0	0	0	0	114.2	L7 L8 P14	L7-V11 PolarHBondContact O-N 3.49Å; L8-V11 HydrophobicContact CD2-CG2 4.45Å; L8-V11 WeakPolarHBondContact O-CG2 3.2Å; L8-V11 PolarHBondContact O-N 3.39Å; V11-P14 WeakPolarHBondContact O-CD 3.45Å
12	T	65.6	Low	72.4	Confident	90 Å²	90	105.3 Å²	105.3	55%	0.552	62%	0.621	S	S	*	*	S	Bend	trans	-90.8	-6.9	-179.3	54.9	0	0	0	0	114.9	L8 C9	L8-T12 PolarHBondContact O-N 3.44Å; L8-T12 PolarHBondContact O-OG1 3.29Å; C9-T12 PolarHBondContact O-OG1 3.36Å
13	F	62.1	Low	73.5	Confident	176 Å²	176	103.6 Å²	103.6	77%	0.772	60%	0.601	S	S	*	*	S	Bend	trans	-109.8	15.1	-172.6	-90.2	-82	0	0	0	119.4
14	P	63.2	Low	74.3	Confident	91 Å²	91	105.7 Å²	105.7	59%	0.591	60%	0.601	S	S	*	*			trans	-105.8	11.8	174.3	35.8	-27.5	0	0	0	115.8	V11 C16	V11-P14 WeakPolarHBondContact O-CD 3.45Å; P14-C16 VanDerWaalsContact C-N 3.27Å; P14-C16 PolarHBondContact O-N 3.46Å
15	S	61.4	Low	75.4	Confident	109 Å²	109	102.8 Å²	102.8	76%	0.762	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-9.3	-179.2	-12.3	0	0	0	0	114.5
16	C	63.2	Low	76.6	Confident	120 Å²	120	103.1 Å²	103.1	81%	0.811	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	38.2	179.5	-70.6	0	0	0	0	112.7	P14 L18	P14-C16 VanDerWaalsContact C-N 3.27Å; P14-C16 PolarHBondContact O-N 3.46Å; C16-L18 PolarHBondContact O-N 3.31Å
17	A	68.6	Low	77.8	Confident	89 Å²	89	99.7 Å²	99.7	74%	0.736	58%	0.577	S	S	*	*			trans	-71	81.3	161.1	0	0	0	0	0	108.3	S19	A17-S19 PolarHBondContact O-N 2.99Å; A17-S19 VanDerWaalsContact O-N 3.16Å
18	L	67.2	Low	78.8	Confident	161 Å²	161	98.3 Å²	98.3	84%	0.843	58%	0.575	S	S	*	*			trans	-53.8	123.3	163.9	-68.6	173.9	0	0	0	106.7	C16 Q20	C16-L18 PolarHBondContact O-N 3.31Å; L18-Q20 PolarHBondContact O-N 3Å
19	S	73.4	Confident	80	Confident	93 Å²	93	96.3 Å²	96.3	65%	0.65	58%	0.581	S	S	*	*			trans	-61.5	106.5	178.2	-168.4	0	0	0	0	108.4	A17 V21 G45	A17-S19 PolarHBondContact O-N 2.99Å; A17-S19 VanDerWaalsContact O-N 3.16Å; S19-V21 PolarHBondContact O-N 2.83Å; S19-G45 WeakPolarHBondContact OG-CA 3.36Å
20	Q	89	Confident	81.2	Confident	144 Å²	144	101.1 Å²	101.1	67%	0.673	60%	0.6	S	S	*	*			trans	-68.3	128.8	-179.2	-169.9	-179.9	-5.5	0	0	109	L18 Q22	L18-Q20 PolarHBondContact O-N 3Å; Q20-Q22 PolarHBondContact O-N 3.13Å
21	V	93.5	Very high	82.6	Confident	53 Å²	53	97 Å²	97	32%	0.321	58%	0.58	S	S	.	*			trans	-67.1	127.3	174.5	171.8	0	0	0	0	109.1	S19 L23 S44 F46	S19-V21 PolarHBondContact O-N 2.83Å; V21-L23 HydrophobicContact CG1-CD1 3.89Å; V21-S44 WeakPolarHBondContact CA-O 3.46Å; V21-F46 HydrophobicContact CG1-CD1 3.76Å; V21-F46 HydrophobicContact CG1-CE1 3.74Å; V21-F46 HydrophobicContact CG2-CD1 4.26Å
22	Q	95.8	Very high	83.8	Confident	83 Å²	83	94.4 Å²	94.4	39%	0.388	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.7	144	175.2	-56.1	-68.4	-22.1	0	0	110.6	Q20 V43 S44	Q20-Q22 PolarHBondContact O-N 3.13Å; Q22-V43 WeakPolarHBondContact O-CA 3.11Å; Q22-S44 WeakPolarHBondContact CB-OG 3.45Å; Q22-S44 PolarHBondContact N-O 2.93Å; Q22-S44 PolarHBondContact O-N 3.27Å
23	L	98	Very high	85.1	Confident	47 Å²	47	94 Å²	94	25%	0.246	57%	0.568	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.4	119.8	170.5	-71.3	88.5	0	0	0	106.2	V21 V43 F46 I53 C114 R116	V21-L23 HydrophobicContact CG1-CD1 3.89Å; L23-V43 HydrophobicContact CG-CG1 4.3Å; L23-F46 HydrophobicContact CD1-CE1 4.18Å; L23-I53 HydrophobicContact CD2-CD1 4.38Å; L23-C114 HydrophobicContact CD2-CB 4.24Å; L23-C114 WeakPolarHBondContact CD2-O 3.39Å; L23-R116 HydrophobicContact CD2-CB 4.39Å
24	K	98	Very high	86.7	Confident	150 Å²	150	90.5 Å²	90.5	65%	0.652	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.6	108.5	-176.3	-174.9	-178.8	-175.9	-178.7	0	110.3	C41 T42	K24-C41 WeakPolarHBondContact O-CA 3.31Å; K24-T42 PolarHBondContact N-O 3.4Å; K24-T42 PolarHBondContact O-N 3.34Å
25	E	98.3	Very high	88.3	Confident	59 Å²	59	91.4 Å²	91.4	28%	0.276	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.5	142.6	174.7	-56.6	84.7	171.2	0	0	111.9	I39 T40 W55 Y113 C114	E25-I39 HydrophobicContact CB-CG2 4.39Å; E25-T40 CarbonylContact C-O 3.48Å; E25-T40 WeakPolarHBondContact CA-O 3.14Å; E25-W55 HydrophobicContact CG-CZ3 4.32Å; E25-Y113 WeakPolarHBondContact OE1-CA 3.33Å; E25-C114 PolarHBondContact OE1-N 3.29Å; E25-C114 PolarHBondContact OE1-SG 2.83Å
26	S	98	Very high	89.9	Confident	60 Å²	60	89.2 Å²	89.2	42%	0.42	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	144.8	176.1	55.1	0	0	0	0	109.7	I39 T40	S26-I39 CarbonylContact O-C 3.56Å; S26-I39 WeakPolarHBondContact O-CA 3.37Å; S26-I39 WeakPolarHBondContact O-CG2 3.47Å; S26-T40 PolarHBondContact N-O 3.46Å; S26-T40 PolarHBondContact O-N 3.37Å; S26-T40 PolarHBondContact OG-O 2.8Å
27	G	96.2	Very high	91.5	Very high	50 Å²	50	84.1 Å²	84.1	52%	0.515	51%	0.511	S	S	.	.			trans	-173.4	-179.3	-177	0	0	0	0	0	111.8	G29	G27-G29 PolarHBondContact O-N 2.8Å; G27-G29 VanDerWaalsContact O-N 3.13Å
28	P	93.4	Very high	92.9	Very high	77 Å²	77	82.8 Å²	82.8	50%	0.5	50%	0.497	S	S	.	.			trans	-69.6	-6.1	-174.5	28.6	-37.1	0	0	0	114.6	L30 V31 L37 S38	P28-L30 PolarHBondContact O-N 2.71Å; P28-V31 HydrophobicContact CB-CG2 3.89Å; P28-V31 HydrophobicContact CG-CG2 3.36Å; P28-L37 HydrophobicContact CG-CD1 3.7Å; P28-S38 WeakPolarHBondContact CD-O 2.92Å
29	G	92.7	Very high	94.3	Very high	67 Å²	67	75.8 Å²	75.8	69%	0.691	46%	0.46	S	S	*	.	S	Bend	trans	74.9	-106.6	-173.6	0	0	0	0	0	110.8	G27	G27-G29 PolarHBondContact O-N 2.8Å; G27-G29 VanDerWaalsContact O-N 3.13Å
30	L	93.7	Very high	95.5	Very high	176 Å²	176	72.6 Å²	72.6	92%	0.921	44%	0.436	S	S	*	.	S	Bend	trans	-87.8	131.7	179.5	-64.8	174.5	0	0	0	110.6	P28	P28-L30 PolarHBondContact O-N 2.71Å
31	V	95.3	Very high	96	Very high	40 Å²	40	65.7 Å²	65.7	24%	0.242	40%	0.404	C	S	.	.			trans	-131.9	137.6	178.4	-176.8	0	0	0	0	108.1	P28 Q35 L37 L104	P28-V31 HydrophobicContact CB-CG2 3.89Å; P28-V31 HydrophobicContact CG-CG2 3.36Å; V31-Q35 HydrophobicContact CG1-CB 3.67Å; V31-L37 HydrophobicContact CG2-CD1 4.01Å; V31-L104 HydrophobicContact CB-CD1 3.69Å; V31-L104 HydrophobicContact CG1-CD1 3.47Å; V31-L104 VanDerWaalsContact CG1-CD1 3.47Å
32	A	93.2	Very high	96.2	Very high	47 Å²	47	65.5 Å²	65.5	39%	0.388	40%	0.403	S	S	.	.			trans	-68.9	153.3	-178.7	0	0	0	0	0	111.4	Q35	A32-Q35 HydrophobicContact CB-CG 4.21Å; A32-Q35 WeakPolarHBondContact O-CB 3.27Å; A32-Q35 PolarHBondContact O-N 3.03Å
33	P	94	Very high	96.3	Very high	83 Å²	83	61.8 Å²	61.8	54%	0.539	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	153.7	170.9	-25.5	34.9	0	0	0	112.4	Q35	P33-Q35 PolarHBondContact O-N 3.31Å
34	S	94.6	Very high	96.2	Very high	102 Å²	102	62.2 Å²	62.2	71%	0.713	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	-8.6	-176.5	-50	0	0	0	0	116.1	L104	S34-L104 PolarHBondContact N-O 3.41Å
35	Q	96.2	Very high	96.1	Very high	110 Å²	110	56.5 Å²	56.5	51%	0.514	38%	0.377	S	S	.	.	S	Bend	trans	-80.5	-179.3	171	-61	-174.6	-14.4	0	0	111.4	V31 A32 P33 S103 L104	V31-Q35 HydrophobicContact CG1-CB 3.67Å; A32-Q35 HydrophobicContact CB-CG 4.21Å; A32-Q35 WeakPolarHBondContact O-CB 3.27Å; A32-Q35 PolarHBondContact O-N 3.03Å; P33-Q35 PolarHBondContact O-N 3.31Å; Q35-S103 PolarHBondContact O-N 3.36Å; Q35-L104 WeakPolarHBondContact O-CG 3.47Å; Q35-L104 PolarHBondContact O-N 3.07Å
36	S	96.6	Very high	95.9	Very high	62 Å²	62	55 Å²	55	43%	0.434	37%	0.369	S	S	.	.			trans	-107.7	134.4	177.5	-57.5	0	0	0	0	111	M101 N102	S36-M101 CarbonylContact C-O 3.53Å; S36-M101 VanDerWaalsContact CA-O 3.28Å; S36-M101 WeakPolarHBondContact CA-O 3.46Å; S36-N102 PolarHBondContact OG-OD1 3.31Å
37	L	96.1	Very high	95.8	Very high	14 Å²	14	54.5 Å²	54.5	7%	0.073	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	138.6	171	178.2	60	0	0	0	109.7	P28 V31 I39 K100 M101 L104 Y112	P28-L37 HydrophobicContact CG-CD1 3.7Å; V31-L37 HydrophobicContact CG2-CD1 4.01Å; L37-I39 HydrophobicContact CD1-CD1 4.1Å; L37-I39 HydrophobicContact CD1-CG1 3.84Å; L37-I39 HydrophobicContact CD2-CD1 3.62Å; L37-I39 HydrophobicContact CD2-CG1 4.23Å; L37-I39 HydrophobicContact CG-CD1 3.87Å; L37-I39 HydrophobicContact CG-CG1 3.9Å; L37-K100 VanDerWaalsContact O-CA 3.31Å; L37-K100 WeakPolarHBondContact O-CA 3.23Å; L37-M101 HydrophobicContact CB-CB 4.35Å; L37-M101 PolarHBondContact N-O 3.37Å; L37-M101 PolarHBondContact O-N 2.78Å; L37-L104 HydrophobicContact CB-CD1 3.85Å; L37-L104 HydrophobicContact CB-CD2 3.94Å; L37-L104 HydrophobicContact CB-CG 4.18Å; L37-L104 HydrophobicContact CD2-CD2 4.31Å; L37-Y112 HydrophobicContact CD2-CD2 4.42Å; L37-Y112 HydrophobicContact CD2-CE1 4.4Å; L37-Y112 HydrophobicContact CD2-CE2 3.96Å
38	S	97.5	Very high	95.9	Very high	61 Å²	61	52.2 Å²	52.2	43%	0.427	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	121.5	167.2	-171.6	0	0	0	0	109.7	P28 L99	P28-S38 WeakPolarHBondContact CD-O 2.92Å; S38-L99 WeakPolarHBondContact CA-O 3.41Å
39	I	98	Very high	96	Very high	14 Å²	14	52.4 Å²	52.4	7%	0.072	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.2	178.7	-59.5	160.9	0	0	0	108	E25 S26 L37 W55 F98 L99 Y112	E25-I39 HydrophobicContact CB-CG2 4.39Å; S26-I39 CarbonylContact O-C 3.56Å; S26-I39 WeakPolarHBondContact O-CA 3.37Å; S26-I39 WeakPolarHBondContact O-CG2 3.47Å; L37-I39 HydrophobicContact CD1-CD1 4.1Å; L37-I39 HydrophobicContact CD1-CG1 3.84Å; L37-I39 HydrophobicContact CD2-CD1 3.62Å; L37-I39 HydrophobicContact CD2-CG1 4.23Å; L37-I39 HydrophobicContact CG-CD1 3.87Å; L37-I39 HydrophobicContact CG-CG1 3.9Å; I39-W55 HydrophobicContact CB-CH2 4.33Å; I39-W55 HydrophobicContact CB-CZ3 4.42Å; I39-W55 HydrophobicContact CG2-CH2 3.81Å; I39-W55 HydrophobicContact CG2-CZ3 3.81Å; I39-F98 WeakPolarHBondContact O-CA 3.49Å; I39-L99 PolarHBondContact N-O 2.96Å; I39-L99 PolarHBondContact O-N 2.8Å; I39-Y112 HydrophobicContact CD1-CD1 3.87Å; I39-Y112 HydrophobicContact CD1-CD2 3.8Å; I39-Y112 HydrophobicContact CD1-CG 3.44Å; I39-Y112 VanDerWaalsContact CD1-CG 3.44Å
40	T	98.7	Very high	96.2	Very high	25 Å²	25	52.9 Å²	52.9	15%	0.153	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	130	176.9	-55.6	0	0	0	0	109.6	E25 S26 Q96 V97 F98	E25-T40 CarbonylContact C-O 3.48Å; E25-T40 WeakPolarHBondContact CA-O 3.14Å; S26-T40 PolarHBondContact N-O 3.46Å; S26-T40 PolarHBondContact O-N 3.37Å; S26-T40 PolarHBondContact OG-O 2.8Å; T40-Q96 HydrophobicContact CG2-CB 4.08Å; T40-Q96 HydrophobicContact CG2-CG 3.81Å; T40-V97 CarbonylContact C-O 3.59Å; T40-V97 WeakPolarHBondContact CA-O 3.26Å; T40-F98 HydrophobicContact CG2-CD1 3.86Å; T40-F98 HydrophobicContact CG2-CE1 3.55Å; T40-F98 HydrophobicContact CG2-CZ 4.39Å; T40-F98 VanDerWaalsContact OG1-CD1 3.31Å; T40-F98 WeakPolarHBondContact OG1-CD1 3.48Å; T40-F98 WeakPolarHBondContact OG1-CE1 3.38Å
41	C	98.6	Very high	96.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	114.9	167.8	175.4	0	0	0	0	108.9	K24 W55 Q96 V97 C114	K24-C41 WeakPolarHBondContact O-CA 3.31Å; C41-W55 HydrophobicContact CB-CH2 3.46Å; C41-W55 VanDerWaalsContact CB-CH2 3.46Å; C41-W55 HydrophobicContact CB-CZ2 3.61Å; C41-W55 HydrophobicContact CB-CZ3 4.36Å; C41-Q96 CarbonylContact O-C 3.42Å; C41-Q96 VanDerWaalsContact O-CA 3.31Å; C41-Q96 WeakPolarHBondContact O-CA 3.35Å; C41-V97 HydrophobicContact CB-CB 4.37Å; C41-V97 PolarHBondContact N-O 2.8Å; C41-V97 PolarHBondContact O-N 2.79Å; C41-C114 HydrophobicContact CB-CB 3.45Å; C41-C114 VanDerWaalsContact CB-CB 3.45Å; C41-C114 WeakPolarHBondContact CB-SG 3.45Å; C41-C114 WeakPolarHBondContact SG-CB 3.28Å; C41-C114 CovalentContact SG-SG 2.01Å; C41-C114 PolarHBondContact SG-SG 3.41Å
42	T	98.4	Very high	96.5	Very high	48 Å²	48	48.6 Å²	48.6	29%	0.294	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	127.6	171.4	-55.5	0	0	0	0	109	K24 S95 Q96	K24-T42 PolarHBondContact N-O 3.4Å; K24-T42 PolarHBondContact O-N 3.34Å; T42-S95 WeakPolarHBondContact CA-O 3.31Å; T42-Q96 HydrophobicContact CG2-CG 4.37Å; T42-Q96 PolarHBondContact OG1-NE2 2.97Å
43	V	97.9	Very high	96.7	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.03	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	146.7	-178.3	-53.4	0	0	0	0	111.6	Q22 L23 F46 L48 I53 S95	Q22-V43 WeakPolarHBondContact O-CA 3.11Å; L23-V43 HydrophobicContact CG-CG1 4.3Å; V43-F46 HydrophobicContact CB-CE1 3.77Å; V43-F46 HydrophobicContact CB-CE2 4.16Å; V43-F46 HydrophobicContact CB-CZ 3.49Å; V43-F46 VanDerWaalsContact CB-CZ 3.49Å; V43-F46 HydrophobicContact CG1-CE1 4.28Å; V43-F46 HydrophobicContact CG1-CE2 4.36Å; V43-F46 HydrophobicContact CG1-CZ 3.63Å; V43-F46 HydrophobicContact CG2-CE1 4.4Å; V43-F46 HydrophobicContact CG2-CE2 4.08Å; V43-F46 HydrophobicContact CG2-CZ 3.93Å; V43-L48 HydrophobicContact CG1-CD2 4.18Å; V43-L48 HydrophobicContact CG2-CD1 4.27Å; V43-L48 HydrophobicContact CG2-CD2 3.62Å; V43-L48 HydrophobicContact CG2-CG 3.7Å; V43-I53 HydrophobicContact CG1-CD1 4.19Å; V43-S95 PolarHBondContact N-O 3.48Å; V43-S95 VanDerWaalsContact O-CB 3.3Å; V43-S95 WeakPolarHBondContact O-CB 3.42Å
44	S	96.1	Very high	97	Very high	56 Å²	56	43.9 Å²	43.9	39%	0.392	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	164.2	169.8	71	0	0	0	0	111.2	V21 Q22 F46	V21-S44 WeakPolarHBondContact CA-O 3.46Å; Q22-S44 WeakPolarHBondContact CB-OG 3.45Å; Q22-S44 PolarHBondContact N-O 2.93Å; Q22-S44 PolarHBondContact O-N 3.27Å; S44-F46 WeakPolarHBondContact O-CD1 3.32Å; S44-F46 PolarHBondContact O-N 2.85Å
45	G	94.6	Very high	97.2	Very high	31 Å²	31	39 Å²	39	32%	0.32	24%	0.238	S	C	.	.	S	Bend	trans	78.5	1.8	-174.9	0	0	0	0	0	114.7	S19	S19-G45 WeakPolarHBondContact OG-CA 3.36Å
46	F	94.3	Very high	97.3	Very high	27 Å²	27	35.1 Å²	35.1	12%	0.118	22%	0.222	C	C	.	.	S	Bend	trans	-160.9	168.3	171.3	66.3	-80.6	0	0	0	111.3	V21 L23 V43 S44 L48 Y51 I53 R116	V21-F46 HydrophobicContact CG1-CD1 3.76Å; V21-F46 HydrophobicContact CG1-CE1 3.74Å; V21-F46 HydrophobicContact CG2-CD1 4.26Å; L23-F46 HydrophobicContact CD1-CE1 4.18Å; V43-F46 HydrophobicContact CB-CE1 3.77Å; V43-F46 HydrophobicContact CB-CE2 4.16Å; V43-F46 HydrophobicContact CB-CZ 3.49Å; V43-F46 VanDerWaalsContact CB-CZ 3.49Å; V43-F46 HydrophobicContact CG1-CE1 4.28Å; V43-F46 HydrophobicContact CG1-CE2 4.36Å; V43-F46 HydrophobicContact CG1-CZ 3.63Å; V43-F46 HydrophobicContact CG2-CE1 4.4Å; V43-F46 HydrophobicContact CG2-CE2 4.08Å; V43-F46 HydrophobicContact CG2-CZ 3.93Å; S44-F46 WeakPolarHBondContact O-CD1 3.32Å; S44-F46 PolarHBondContact O-N 2.85Å; F46-L48 HydrophobicContact CE2-CD2 4.35Å; F46-Y51 HydrophobicContact CB-CD2 3.94Å; F46-Y51 HydrophobicContact CB-CE2 4.01Å; F46-Y51 AromaticContact CD2-CD2 3.64Å; F46-Y51 HydrophobicContact CD2-CD2 3.64Å; F46-Y51 HydrophobicContact CD2-CG 4.14Å; F46-Y51 HydrophobicContact CG-CD2 4.1Å; F46-I53 HydrophobicContact CE2-CD1 3.85Å; F46-I53 HydrophobicContact CZ-CD1 3.76Å; F46-R116 VanDerWaalsContact CB-NH1 3.34Å; F46-R116 HydrophobicContact CD2-CG 4.48Å; F46-R116 VanDerWaalsContact CE2-CD 3.47Å; F46-R116 HydrophobicContact CE2-CG 3.98Å; F46-R116 VanDerWaalsContact CG-NH1 3.32Å; F46-R116 HydrophobicContact CZ-CB 4.12Å; F46-R116 HydrophobicContact CZ-CG 4.02Å
47	S	95.7	Very high	97.3	Very high	50 Å²	50	32.5 Å²	32.5	35%	0.35	20%	0.202	S	C	.	.			trans	-99.3	140.2	175.5	179.5	0	0	0	0	112.2	T49 S50 Y51	S47-T49 PolarHBondContact O-N 3.02Å; S47-T49 PolarHBondContact OG-N 3.12Å; S47-T49 VanDerWaalsContact OG-N 3.16Å; S47-T49 PolarHBondContact OG-OG1 3.49Å; S47-S50 PolarHBondContact O-N 3.4Å; S47-Y51 PolarHBondContact O-N 3.42Å
48	L	97.6	Very high	97.4	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-9.1	171.1	-67.9	178.4	0	0	0	113.9	V43 F46 I53 K90 N92 V97	V43-L48 HydrophobicContact CG1-CD2 4.18Å; V43-L48 HydrophobicContact CG2-CD1 4.27Å; V43-L48 HydrophobicContact CG2-CD2 3.62Å; V43-L48 HydrophobicContact CG2-CG 3.7Å; F46-L48 HydrophobicContact CE2-CD2 4.35Å; L48-I53 HydrophobicContact CD2-CD1 4.19Å; L48-I53 HydrophobicContact CD2-CG1 3.55Å; L48-K90 HydrophobicContact CD1-CB 4.43Å; L48-K90 PolarHBondContact O-NZ 3Å; L48-N92 WeakPolarHBondContact CB-OD1 3.3Å; L48-V97 HydrophobicContact CD1-CG2 3.85Å; L48-V97 HydrophobicContact CD2-CG2 3.62Å; L48-V97 HydrophobicContact CG-CG2 4.42Å
49	T	96.9	Very high	97.4	Very high	81 Å²	81	33.1 Å²	33.1	50%	0.497	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-17	169.8	60	0	0	0	0	112.6	S47 T72	S47-T49 PolarHBondContact O-N 3.02Å; S47-T49 PolarHBondContact OG-N 3.12Å; S47-T49 VanDerWaalsContact OG-N 3.16Å; S47-T49 PolarHBondContact OG-OG1 3.49Å; T49-T72 WeakPolarHBondContact O-CB 3.33Å; T49-T72 WeakPolarHBondContact O-CG2 3.29Å
50	S	96.1	Very high	97.3	Very high	76 Å²	76	37.3 Å²	37.3	53%	0.531	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-20.6	-175.8	-55.9	0	0	0	0	113.4	S47	S47-S50 PolarHBondContact O-N 3.4Å
51	Y	97	Very high	97.2	Very high	109 Å²	109	40.5 Å²	40.5	43%	0.427	27%	0.265	S	S	.	.			trans	-135.8	145.9	-178.7	-63.4	-89.1	0	0	0	112.4	F46 S47 T72 R116	F46-Y51 HydrophobicContact CB-CD2 3.94Å; F46-Y51 HydrophobicContact CB-CE2 4.01Å; F46-Y51 AromaticContact CD2-CD2 3.64Å; F46-Y51 HydrophobicContact CD2-CD2 3.64Å; F46-Y51 HydrophobicContact CD2-CG 4.14Å; F46-Y51 HydrophobicContact CG-CD2 4.1Å; S47-Y51 PolarHBondContact O-N 3.42Å; Y51-T72 VanDerWaalsContact C-CG2 3.49Å; Y51-R116 HydrophobicContact CD1-CG 3.9Å; Y51-R116 HydrophobicContact CG-CG 3.83Å
52	A	98	Very high	97.1	Very high	17 Å²	17	47.3 Å²	47.3	14%	0.14	30%	0.295	C	S	.	.			trans	-76.9	155.9	168.3	0	0	0	0	0	110.2	V69 I70 W71	A52-V69 HydrophobicContact CB-CG2 3.91Å; A52-I70 VanDerWaalsContact CA-O 3.26Å; A52-I70 WeakPolarHBondContact CA-O 3.31Å; A52-I70 WeakPolarHBondContact CB-O 3.33Å; A52-W71 HydrophobicContact CB-CD2 4.41Å; A52-W71 HydrophobicContact CB-CE3 3.65Å; A52-W71 HydrophobicContact CB-CZ3 4.12Å
53	I	98.7	Very high	97	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	120.4	174.4	-61.3	-63.9	0	0	0	109.1	L23 V43 F46 L48 V69 I70 V97 C114 A115 R116	L23-I53 HydrophobicContact CD2-CD1 4.38Å; V43-I53 HydrophobicContact CG1-CD1 4.19Å; F46-I53 HydrophobicContact CE2-CD1 3.85Å; F46-I53 HydrophobicContact CZ-CD1 3.76Å; L48-I53 HydrophobicContact CD2-CD1 4.19Å; L48-I53 HydrophobicContact CD2-CG1 3.55Å; I53-V69 WeakPolarHBondContact O-CA 3.34Å; I53-V69 WeakPolarHBondContact O-CG2 3.39Å; I53-I70 HydrophobicContact CB-CG2 4.33Å; I53-I70 PolarHBondContact N-O 2.98Å; I53-I70 PolarHBondContact O-N 3.25Å; I53-V97 HydrophobicContact CB-CG1 4.35Å; I53-V97 HydrophobicContact CB-CG2 3.97Å; I53-V97 HydrophobicContact CG1-CG2 3.82Å; I53-V97 HydrophobicContact CG2-CB 4.24Å; I53-V97 HydrophobicContact CG2-CG1 4.13Å; I53-V97 HydrophobicContact CG2-CG2 4.12Å; I53-C114 HydrophobicContact CG2-CB 3.88Å; I53-A115 CarbonylContact C-O 3.57Å; I53-A115 WeakPolarHBondContact CA-O 3.4Å; I53-R116 HydrophobicContact CD1-CB 4.03Å; I53-R116 HydrophobicContact CD1-CG 4.29Å
54	S	98.7	Very high	97	Very high	31 Å²	31	53 Å²	53	22%	0.217	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	147.6	173.3	-67.1	0	0	0	0	110.8	G68 V69 C114 A115	S54-G68 CarbonylContact C-O 3.57Å; S54-G68 WeakPolarHBondContact CA-O 3.37Å; S54-V69 WeakPolarHBondContact OG-CG2 3.39Å; S54-C114 CarbonylContact O-C 3.56Å; S54-C114 VanDerWaalsContact O-CA 3.31Å; S54-C114 WeakPolarHBondContact O-CA 3.41Å; S54-A115 PolarHBondContact N-O 3.09Å; S54-A115 PolarHBondContact O-N 3.27Å
55	W	98.7	Very high	97.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133	168.7	-72.7	98.7	0	0	0	109.7	E25 I39 C41 L67 G68 V97 L99 C114	E25-W55 HydrophobicContact CG-CZ3 4.32Å; I39-W55 HydrophobicContact CB-CH2 4.33Å; I39-W55 HydrophobicContact CB-CZ3 4.42Å; I39-W55 HydrophobicContact CG2-CH2 3.81Å; I39-W55 HydrophobicContact CG2-CZ3 3.81Å; C41-W55 HydrophobicContact CB-CH2 3.46Å; C41-W55 VanDerWaalsContact CB-CH2 3.46Å; C41-W55 HydrophobicContact CB-CZ2 3.61Å; C41-W55 HydrophobicContact CB-CZ3 4.36Å; W55-L67 HydrophobicContact CB-CB 4.11Å; W55-L67 HydrophobicContact CB-CD1 4.34Å; W55-L67 WeakPolarHBondContact O-CB 3.34Å; W55-L67 PolarHBondContact O-N 2.79Å; W55-G68 PolarHBondContact N-O 2.84Å; W55-V97 HydrophobicContact CZ2-CB 4.43Å; W55-V97 HydrophobicContact CZ2-CG1 4.22Å; W55-V97 WeakPolarHBondContact CZ2-O 3.29Å; W55-L99 HydrophobicContact CB-CD1 4.26Å; W55-L99 HydrophobicContact CB-CD2 4.17Å; W55-L99 HydrophobicContact CD2-CB 3.69Å; W55-L99 HydrophobicContact CD2-CD2 3.93Å; W55-L99 HydrophobicContact CD2-CG 4.26Å; W55-L99 HydrophobicContact CE3-CB 4.12Å; W55-L99 HydrophobicContact CE3-CD2 3.9Å; W55-L99 HydrophobicContact CG-CB 4.07Å; W55-L99 HydrophobicContact CG-CD1 4.04Å; W55-L99 HydrophobicContact CG-CD2 4.06Å; W55-L99 HydrophobicContact CG-CG 4.29Å; W55-L99 HydrophobicContact CH2-CB 4.21Å; W55-L99 HydrophobicContact CZ2-CB 3.82Å; W55-L99 HydrophobicContact CZ3-CB 4.37Å; W55-C114 HydrophobicContact CD2-CB 4.3Å; W55-C114 HydrophobicContact CE3-CB 4.05Å; W55-C114 HydrophobicContact CH2-CB 4.11Å; W55-C114 HydrophobicContact CZ2-CB 4.31Å; W55-C114 HydrophobicContact CZ3-CB 3.95Å
56	V	98.4	Very high	97.3	Very high	27 Å²	27	56.2 Å²	56.2	16%	0.164	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146.2	177.8	-87.6	0	0	0	0	108.6	E65 W66 Y113	V56-E65 CarbonylContact C-O 3.57Å; V56-E65 WeakPolarHBondContact CA-O 3.46Å; V56-W66 HydrophobicContact CG1-CB 4.28Å; V56-Y113 PolarHBondContact N-O 2.85Å; V56-Y113 PolarHBondContact O-N 2.79Å; V56-Y113 VanDerWaalsContact O-O 3.13Å
57	R	97.3	Very high	97.5	Very high	7 Å²	7	55 Å²	55	3%	0.026	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	153.6	171.8	70.9	175.3	-179.9	-174.1	5.6	111.3	L64 E65 L67 D108 A110 R111 Y112	R57-L64 WeakPolarHBondContact O-CA 2.99Å; R57-E65 HydrophobicContact CG-CB 4.06Å; R57-E65 IonicContact CZ-OE2 3.37Å; R57-E65 PolarHBondContact N-O 2.87Å; R57-E65 IonicContact NE-OE2 3.7Å; R57-E65 PolarHBondContact NE-OE2 2.89Å; R57-E65 IonicContact NH2-OE1 2.67Å; R57-E65 IonicContact NH2-OE2 3.18Å; R57-E65 PolarHBondContact NH2-OE2 3.18Å; R57-E65 PolarHBondContact O-N 2.88Å; R57-L67 HydrophobicContact CB-CD1 4.12Å; R57-L67 HydrophobicContact CB-CG 4.45Å; R57-L67 HydrophobicContact CG-CD1 4.31Å; R57-L67 HydrophobicContact CG-CD2 3.87Å; R57-L67 HydrophobicContact CG-CG 4.23Å; R57-D108 IonicContact CZ-OD1 2.72Å; R57-D108 IonicContact NH1-OD1 3.47Å; R57-D108 PolarHBondContact NH1-OD1 2.9Å; R57-A110 HydrophobicContact CB-CB 3.82Å; R57-A110 HydrophobicContact CG-CB 4.17Å; R57-R111 CarbonylContact C-O 3.45Å; R57-R111 VanDerWaalsContact CA-O 3.23Å; R57-R111 WeakPolarHBondContact CA-O 3.26Å; R57-Y112 HydrophobicContact CB-CD1 3.87Å; R57-Y112 HydrophobicContact CB-CE1 3.86Å; R57-Y112 HydrophobicContact CB-CG 4.3Å
58	Q	98	Very high	97.6	Very high	77 Å²	77	52.6 Å²	52.6	36%	0.36	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	99.3	174.4	-164.9	175.6	17.5	0	0	109.4	L64 A110 R111 Y113	Q58-L64 HydrophobicContact CB-CD2 3.84Å; Q58-L64 HydrophobicContact CG-CD2 4.09Å; Q58-A110 WeakPolarHBondContact O-CA 3.03Å; Q58-A110 WeakPolarHBondContact O-CB 3.4Å; Q58-R111 PolarHBondContact N-O 2.96Å; Q58-R111 PolarHBondContact O-N 3.01Å; Q58-Y113 HydrophobicContact CB-CE2 4.02Å; Q58-Y113 PolarHBondContact OE1-OH 2.89Å
59	P	97.1	Very high	97.6	Very high	12 Å²	12	52.8 Å²	52.8	8%	0.078	31%	0.311	C	S	.	.			trans	-65.8	150.3	172.1	-16.9	30.3	0	0	0	111	G61 K62 G63 A110	P59-G61 PolarHBondContact O-N 2.67Å; P59-K62 HydrophobicContact CB-CB 4.03Å; P59-K62 HydrophobicContact CB-CD 4.01Å; P59-K62 HydrophobicContact CB-CG 4.23Å; P59-K62 HydrophobicContact CG-CB 4.28Å; P59-K62 HydrophobicContact CG-CD 4.32Å; P59-K62 PolarHBondContact O-N 2.81Å; P59-G63 WeakPolarHBondContact CD-O 3.46Å; P59-A110 HydrophobicContact CB-CB 4.44Å; P59-A110 HydrophobicContact CG-CB 4.31Å
60	P	96.6	Very high	97.7	Very high	101 Å²	101	49.2 Å²	49.2	66%	0.656	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	128.5	177.4	-24.6	32.8	0	0	0	111.9	K62 T109	P60-K62 PolarHBondContact O-N 2.7Å; P60-T109 WeakPolarHBondContact CD-O 3.24Å
61	G	97.3	Very high	97.9	Very high	93 Å²	93	51.7 Å²	51.7	96%	0.959	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	8.6	179.8	0	0	0	0	0	115.2	P59	P59-G61 PolarHBondContact O-N 2.67Å
62	K	96.3	Very high	97.9	Very high	142 Å²	142	49.6 Å²	49.6	62%	0.617	29%	0.286	S	S	*	.	S	Bend	trans	-118.7	167.2	177.4	-59.2	-170.8	-176.6	176.3	0	111.5	P59 P60	P59-K62 HydrophobicContact CB-CB 4.03Å; P59-K62 HydrophobicContact CB-CD 4.01Å; P59-K62 HydrophobicContact CB-CG 4.23Å; P59-K62 HydrophobicContact CG-CB 4.28Å; P59-K62 HydrophobicContact CG-CD 4.32Å; P59-K62 PolarHBondContact O-N 2.81Å; P60-K62 PolarHBondContact O-N 2.7Å
63	G	96.6	Very high	97.8	Very high	54 Å²	54	52.5 Å²	52.5	56%	0.557	32%	0.317	S	S	*	.			trans	-71.7	179.7	173	0	0	0	0	0	113.2	P59	P59-G63 WeakPolarHBondContact CD-O 3.46Å
64	L	97.7	Very high	97.8	Very high	120 Å²	120	54.1 Å²	54.1	63%	0.628	33%	0.334	S	S	*	.			trans	-70.1	136.9	172.4	-64.5	173.7	0	0	0	110.5	R57 Q58	R57-L64 WeakPolarHBondContact O-CA 2.99Å; Q58-L64 HydrophobicContact CB-CD2 3.84Å; Q58-L64 HydrophobicContact CG-CD2 4.09Å
65	E	97.8	Very high	97.8	Very high	57 Å²	57	54.6 Å²	54.6	27%	0.266	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.1	174.1	-176.4	-179.7	-167.1	0	0	109.3	V56 R57	V56-E65 CarbonylContact C-O 3.57Å; V56-E65 WeakPolarHBondContact CA-O 3.46Å; R57-E65 HydrophobicContact CG-CB 4.06Å; R57-E65 IonicContact CZ-OE2 3.37Å; R57-E65 PolarHBondContact N-O 2.87Å; R57-E65 IonicContact NE-OE2 3.7Å; R57-E65 PolarHBondContact NE-OE2 2.89Å; R57-E65 IonicContact NH2-OE1 2.67Å; R57-E65 IonicContact NH2-OE2 3.18Å; R57-E65 PolarHBondContact NH2-OE2 3.18Å; R57-E65 PolarHBondContact O-N 2.88Å
66	W	98.2	Very high	97.8	Very high	97 Å²	97	56.9 Å²	56.9	37%	0.367	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	135.8	175.6	-178.4	82.9	0	0	0	110.9	V56 G68 V69 N77 N79	V56-W66 HydrophobicContact CG1-CB 4.28Å; W66-G68 VanDerWaalsContact CZ2-C 3.42Å; W66-G68 PolarHBondContact NE1-O 2.78Å; W66-V69 HydrophobicContact CZ2-CB 4.05Å; W66-V69 HydrophobicContact CZ2-CG1 3.86Å; W66-N77 HydrophobicContact CH2-CB 4.16Å; W66-N79 HydrophobicContact CE3-CB 3.92Å; W66-N79 HydrophobicContact CZ3-CB 4.11Å; W66-N79 VanDerWaalsContact O-CB 3.29Å; W66-N79 WeakPolarHBondContact O-CB 2.94Å; W66-N79 PolarHBondContact O-ND2 2.87Å
67	L	98.3	Very high	97.8	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-42.7	-177.2	-61.4	-177.9	0	0	0	112.5	W55 R57 Y78 N79 L82 L86 L99 M101 Y112	W55-L67 HydrophobicContact CB-CB 4.11Å; W55-L67 HydrophobicContact CB-CD1 4.34Å; W55-L67 WeakPolarHBondContact O-CB 3.34Å; W55-L67 PolarHBondContact O-N 2.79Å; R57-L67 HydrophobicContact CB-CD1 4.12Å; R57-L67 HydrophobicContact CB-CG 4.45Å; R57-L67 HydrophobicContact CG-CD1 4.31Å; R57-L67 HydrophobicContact CG-CD2 3.87Å; R57-L67 HydrophobicContact CG-CG 4.23Å; L67-Y78 WeakPolarHBondContact O-CA 3.37Å; L67-N79 PolarHBondContact O-N 2.01Å; L67-L82 HydrophobicContact CD2-CD1 3.33Å; L67-L86 HydrophobicContact CB-CD1 3.94Å; L67-L86 HydrophobicContact CD2-CD1 4.43Å; L67-L86 WeakPolarHBondContact O-CD1 3.5Å; L67-L99 HydrophobicContact CD1-CD2 3.75Å; L67-M101 HydrophobicContact CD1-CE 4.41Å; L67-M101 HydrophobicContact CD2-CE 4.43Å; L67-Y112 HydrophobicContact CD1-CD1 3.72Å; L67-Y112 HydrophobicContact CD1-CE1 3.64Å
68	G	98.5	Very high	97.8	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.4	174.4	-175.3	0	0	0	0	0	112.4	S54 W55 W66 N77	S54-G68 CarbonylContact C-O 3.57Å; S54-G68 WeakPolarHBondContact CA-O 3.37Å; W55-G68 PolarHBondContact N-O 2.84Å; W66-G68 VanDerWaalsContact CZ2-C 3.42Å; W66-G68 PolarHBondContact NE1-O 2.78Å; G68-N77 CarbonylContact C-O 3.55Å; G68-N77 WeakPolarHBondContact CA-O 3.25Å
69	V	98.7	Very high	97.8	Very high	6 Å²	6	59.6 Å²	59.6	4%	0.036	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	145.3	179.1	64.1	0	0	0	0	109.4	A52 I53 S54 W66 W71 T76 N77	A52-V69 HydrophobicContact CB-CG2 3.91Å; I53-V69 WeakPolarHBondContact O-CA 3.34Å; I53-V69 WeakPolarHBondContact O-CG2 3.39Å; S54-V69 WeakPolarHBondContact OG-CG2 3.39Å; W66-V69 HydrophobicContact CZ2-CB 4.05Å; W66-V69 HydrophobicContact CZ2-CG1 3.86Å; V69-W71 HydrophobicContact CG1-CD2 4.45Å; V69-W71 HydrophobicContact CG1-CZ2 3.77Å; V69-W71 HydrophobicContact CG2-CD2 4.49Å; V69-T76 VanDerWaalsContact O-CA 3.24Å; V69-T76 WeakPolarHBondContact O-CA 3.36Å; V69-N77 HydrophobicContact CG1-CB 3.91Å; V69-N77 PolarHBondContact N-O 2.85Å; V69-N77 PolarHBondContact O-N 2.72Å
70	I	98.8	Very high	97.8	Very high	7 Å²	7	64.4 Å²	64.4	4%	0.036	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.2	163.6	-171.4	159.8	0	0	0	109.6	A52 I53 G75 T76 I88 K90 V97	A52-I70 VanDerWaalsContact CA-O 3.26Å; A52-I70 WeakPolarHBondContact CA-O 3.31Å; A52-I70 WeakPolarHBondContact CB-O 3.33Å; I53-I70 HydrophobicContact CB-CG2 4.33Å; I53-I70 PolarHBondContact N-O 2.98Å; I53-I70 PolarHBondContact O-N 3.25Å; I70-G75 WeakPolarHBondContact CA-O 3.4Å; I70-T76 HydrophobicContact CB-CG2 4.13Å; I70-T76 HydrophobicContact CD1-CG2 4.04Å; I70-T76 HydrophobicContact CG1-CG2 3.96Å; I70-I88 HydrophobicContact CB-CG2 3.7Å; I70-I88 HydrophobicContact CD1-CG2 4.37Å; I70-I88 HydrophobicContact CG2-CG2 3.75Å; I70-K90 HydrophobicContact CD1-CB 4.01Å; I70-K90 HydrophobicContact CD1-CD 4Å; I70-K90 HydrophobicContact CD1-CG 3.67Å; I70-K90 HydrophobicContact CG1-CD 4.12Å; I70-K90 HydrophobicContact CG1-CG 4.35Å; I70-K90 HydrophobicContact CG2-CD 4.44Å; I70-V97 HydrophobicContact CG2-CG1 3.76Å
71	W	98.5	Very high	97.8	Very high	127 Å²	127	63.2 Å²	63.2	48%	0.481	40%	0.404	S	S	.	.			trans	-78.6	165.6	-179.7	-58.5	106.7	0	0	0	111.3	A52 V69 G73 G74 G75 N77	A52-W71 HydrophobicContact CB-CD2 4.41Å; A52-W71 HydrophobicContact CB-CE3 3.65Å; A52-W71 HydrophobicContact CB-CZ3 4.12Å; V69-W71 HydrophobicContact CG1-CD2 4.45Å; V69-W71 HydrophobicContact CG1-CZ2 3.77Å; V69-W71 HydrophobicContact CG2-CD2 4.49Å; W71-G73 VanDerWaalsContact C-N 3.25Å; W71-G73 PolarHBondContact O-N 2.94Å; W71-G74 WeakPolarHBondContact O-CA 3.2Å; W71-G74 PolarHBondContact O-N 3.41Å; W71-G75 PolarHBondContact N-O 3.27Å; W71-N77 PolarHBondContact NE1-ND2 3.42Å
72	T	97.7	Very high	97.7	Very high	66 Å²	66	59.2 Å²	59.2	41%	0.405	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-40.6	178.7	52	0	0	0	0	112.5	T49 Y51 G74 K90	T49-T72 WeakPolarHBondContact O-CB 3.33Å; T49-T72 WeakPolarHBondContact O-CG2 3.29Å; Y51-T72 VanDerWaalsContact C-CG2 3.49Å; T72-G74 PolarHBondContact O-N 2.82Å; T72-K90 PolarHBondContact O-NZ 2.8Å
73	G	97.2	Very high	97.7	Very high	78 Å²	78	58.8 Å²	58.8	80%	0.804	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	0.4	175	0	0	0	0	0	115.4	W71	W71-G73 VanDerWaalsContact C-N 3.25Å; W71-G73 PolarHBondContact O-N 2.94Å
74	G	97.7	Very high	97.8	Very high	35 Å²	35	61.6 Å²	61.6	36%	0.361	37%	0.37	S	S	.	.	S	Bend	trans	88.8	-8.1	178.1	0	0	0	0	0	115.4	W71 T72	W71-G74 WeakPolarHBondContact O-CA 3.2Å; W71-G74 PolarHBondContact O-N 3.41Å; T72-G74 PolarHBondContact O-N 2.82Å
75	G	98.3	Very high	97.7	Very high	41 Å²	41	57.1 Å²	57.1	42%	0.423	35%	0.345	S	S	.	.			trans	-61.9	147.4	172	0	0	0	0	0	111.9	I70 W71	I70-G75 WeakPolarHBondContact CA-O 3.4Å; W71-G75 PolarHBondContact N-O 3.27Å
76	T	98.6	Very high	97.7	Very high	48 Å²	48	55 Å²	55	29%	0.294	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139.3	-178	56.7	0	0	0	0	112.1	V69 I70 Y78 I88	V69-T76 VanDerWaalsContact O-CA 3.24Å; V69-T76 WeakPolarHBondContact O-CA 3.36Å; I70-T76 HydrophobicContact CB-CG2 4.13Å; I70-T76 HydrophobicContact CD1-CG2 4.04Å; I70-T76 HydrophobicContact CG1-CG2 3.96Å; T76-Y78 WeakPolarHBondContact CB-OH 3.33Å; T76-Y78 VanDerWaalsContact OG1-CE2 3.24Å; T76-Y78 WeakPolarHBondContact OG1-CE2 3.48Å; T76-Y78 PolarHBondContact OG1-OH 2.95Å; T76-I88 HydrophobicContact CG2-CB 4.34Å
77	N	98.4	Very high	97.7	Very high	85 Å²	85	53 Å²	53	46%	0.455	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	149.7	165.2	-70	-39.4	0	0	0	109.6	W66 G68 V69 W71	W66-N77 HydrophobicContact CH2-CB 4.16Å; G68-N77 CarbonylContact C-O 3.55Å; G68-N77 WeakPolarHBondContact CA-O 3.25Å; V69-N77 HydrophobicContact CG1-CB 3.91Å; V69-N77 PolarHBondContact N-O 2.85Å; V69-N77 PolarHBondContact O-N 2.72Å; W71-N77 PolarHBondContact NE1-ND2 3.42Å
78	Y	98.6	Very high	97.7	Very high	46 Å²	46	53.4 Å²	53.4	18%	0.18	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	154.2	-175.6	-58.7	-81.8	0	0	0	110.5	L67 T76 S80 K83 L86 I88	L67-Y78 WeakPolarHBondContact O-CA 3.37Å; T76-Y78 WeakPolarHBondContact CB-OH 3.33Å; T76-Y78 VanDerWaalsContact OG1-CE2 3.24Å; T76-Y78 WeakPolarHBondContact OG1-CE2 3.48Å; T76-Y78 PolarHBondContact OG1-OH 2.95Å; Y78-S80 PolarHBondContact O-N 2.86Å; Y78-K83 HydrophobicContact CD2-CG 4.17Å; Y78-K83 HydrophobicContact CG-CG 4.29Å; Y78-L86 HydrophobicContact CD1-CB 3.81Å; Y78-L86 HydrophobicContact CD1-CD1 4.42Å; Y78-L86 HydrophobicContact CE1-CB 4.11Å; Y78-I88 HydrophobicContact CD1-CD1 4.07Å; Y78-I88 HydrophobicContact CE1-CB 4.24Å; Y78-I88 HydrophobicContact CE1-CD1 3.76Å; Y78-I88 HydrophobicContact CE1-CG1 3.84Å; Y78-I88 PolarHBondContact OH-N 2.8Å
79	N	97.7	Very high	97.7	Very high	36 Å²	36	56.2 Å²	56.2	19%	0.193	36%	0.357	C	S	.	.			trans	-62	124.4	164.9	-179.4	-32.5	0	0	0	108.9	W66 L67 A81 L82 K83	W66-N79 HydrophobicContact CE3-CB 3.92Å; W66-N79 HydrophobicContact CZ3-CB 4.11Å; W66-N79 VanDerWaalsContact O-CB 3.29Å; W66-N79 WeakPolarHBondContact O-CB 2.94Å; W66-N79 PolarHBondContact O-ND2 2.87Å; L67-N79 PolarHBondContact O-N 2.01Å; N79-A81 PolarHBondContact O-N 3.16Å; N79-A81 VanDerWaalsContact O-N 3.13Å; N79-A81 WeakPolarHBondContact OD1-CB 3.31Å; N79-A81 PolarHBondContact OD1-N 2.91Å; N79-L82 PolarHBondContact O-N 3.39Å; N79-K83 PolarHBondContact O-N 3.47Å
80	S	97.2	Very high	97.7	Very high	113 Å²	113	57.9 Å²	57.9	79%	0.79	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-34.2	-176.4	-57.8	0	0	0	0	113.4	Y78 L82	Y78-S80 PolarHBondContact O-N 2.86Å; S80-L82 VanDerWaalsContact C-N 3.33Å; S80-L82 PolarHBondContact O-N 3.35Å
81	A	95.7	Very high	97.7	Very high	77 Å²	77	59.5 Å²	59.5	64%	0.636	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-26	-179.6	0	0	0	0	0	113.4	N79	N79-A81 PolarHBondContact O-N 3.16Å; N79-A81 VanDerWaalsContact O-N 3.13Å; N79-A81 WeakPolarHBondContact OD1-CB 3.31Å; N79-A81 PolarHBondContact OD1-N 2.91Å
82	L	95.7	Very high	97.6	Very high	8 Å²	8	57 Å²	57	4%	0.042	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-6	-173.2	-59.8	172.6	0	0	0	113	L67 N79 S80 S84 R85 L86	L67-L82 HydrophobicContact CD2-CD1 3.33Å; N79-L82 PolarHBondContact O-N 3.39Å; S80-L82 VanDerWaalsContact C-N 3.33Å; S80-L82 PolarHBondContact O-N 3.35Å; L82-S84 PolarHBondContact O-N 2.88Å; L82-S84 VanDerWaalsContact O-N 3.08Å; L82-R85 PolarHBondContact O-N 2.86Å; L82-L86 HydrophobicContact CB-CD1 3.57Å; L82-L86 HydrophobicContact CB-CG 4.03Å; L82-L86 HydrophobicContact CD1-CD1 4.48Å; L82-L86 WeakPolarHBondContact O-CG 3.3Å; L82-L86 PolarHBondContact O-N 3.33Å; L82-L86 VanDerWaalsContact O-N 3.16Å
83	K	96.5	Very high	97.6	Very high	134 Å²	134	58.9 Å²	58.9	58%	0.583	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-35.2	-174.3	-178.6	175.3	179.1	-179.4	0	113.8	Y78 N79 R85	Y78-K83 HydrophobicContact CD2-CG 4.17Å; Y78-K83 HydrophobicContact CG-CG 4.29Å; N79-K83 PolarHBondContact O-N 3.47Å; K83-R85 VanDerWaalsContact C-N 3.25Å; K83-R85 PolarHBondContact O-N 3.45Å
84	S	97.1	Very high	97.6	Very high	112 Å²	112	61.1 Å²	61.1	78%	0.783	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-20.1	-179.5	57.4	0	0	0	0	113.9	L82	L82-S84 PolarHBondContact O-N 2.88Å; L82-S84 VanDerWaalsContact O-N 3.08Å
85	R	96.7	Very high	97.6	Very high	27 Å²	27	61.5 Å²	61.5	10%	0.102	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-16.1	-175.7	-58.8	-165.5	-63.2	117.9	-5.9	113.1	L82 K83 M101 N102 S103 D108	L82-R85 PolarHBondContact O-N 2.86Å; K83-R85 VanDerWaalsContact C-N 3.25Å; K83-R85 PolarHBondContact O-N 3.45Å; R85-M101 HydrophobicContact CB-CG 4.49Å; R85-M101 CarbonylContact O-C 3.58Å; R85-M101 WeakPolarHBondContact O-CA 3.37Å; R85-N102 PolarHBondContact NH1-O 2.61Å; R85-N102 PolarHBondContact O-N 3.42Å; R85-S103 PolarHBondContact NH1-O 2.94Å; R85-S103 VanDerWaalsContact NH1-O 3.12Å; R85-D108 IonicContact CZ-OD1 3.17Å; R85-D108 IonicContact CZ-OD2 3.68Å; R85-D108 IonicContact NH1-OD1 3.61Å; R85-D108 IonicContact NH1-OD2 2.7Å; R85-D108 PolarHBondContact NH1-OD2 2.73Å; R85-D108 IonicContact NH2-OD1 2.78Å; R85-D108 PolarHBondContact NH2-OD1 3.34Å; R85-D108 IonicContact NH2-OD2 3.77Å; R85-D108 PolarHBondContact NH2-OD2 3.16Å
86	L	97.8	Very high	97.6	Very high	13 Å²	13	61.9 Å²	61.9	7%	0.068	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	145.5	-174.7	-73.2	178.7	0	0	0	113.6	L67 Y78 L82 L99 K100 M101	L67-L86 HydrophobicContact CB-CD1 3.94Å; L67-L86 HydrophobicContact CD2-CD1 4.43Å; L67-L86 WeakPolarHBondContact O-CD1 3.5Å; Y78-L86 HydrophobicContact CD1-CB 3.81Å; Y78-L86 HydrophobicContact CD1-CD1 4.42Å; Y78-L86 HydrophobicContact CE1-CB 4.11Å; L82-L86 HydrophobicContact CB-CD1 3.57Å; L82-L86 HydrophobicContact CB-CG 4.03Å; L82-L86 HydrophobicContact CD1-CD1 4.48Å; L82-L86 WeakPolarHBondContact O-CG 3.3Å; L82-L86 PolarHBondContact O-N 3.33Å; L82-L86 VanDerWaalsContact O-N 3.16Å; L86-L99 HydrophobicContact CD2-CD1 3.82Å; L86-K100 CarbonylContact C-O 3.52Å; L86-K100 WeakPolarHBondContact CA-O 3.44Å; L86-M101 HydrophobicContact CD2-CB 3.97Å; L86-M101 HydrophobicContact CD2-CE 3.31Å; L86-M101 HydrophobicContact CD2-CG 3.98Å; L86-M101 HydrophobicContact CD2-SD 4.47Å; L86-M101 HydrophobicContact CG-CE 4.24Å
87	S	98.3	Very high	97.6	Very high	55 Å²	55	59.6 Å²	59.6	39%	0.385	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	131.2	166	178.9	0	0	0	0	109.4	K100	S87-K100 PolarHBondContact N-O 3.34Å; S87-K100 PolarHBondContact O-N 2.87Å
88	I	98.6	Very high	97.6	Very high	8 Å²	8	57.9 Å²	57.9	4%	0.041	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.4	176.3	-60.1	161.2	0	0	0	108.5	I70 T76 Y78 V97 F98 L99	I70-I88 HydrophobicContact CB-CG2 3.7Å; I70-I88 HydrophobicContact CD1-CG2 4.37Å; I70-I88 HydrophobicContact CG2-CG2 3.75Å; T76-I88 HydrophobicContact CG2-CB 4.34Å; Y78-I88 HydrophobicContact CD1-CD1 4.07Å; Y78-I88 HydrophobicContact CE1-CB 4.24Å; Y78-I88 HydrophobicContact CE1-CD1 3.76Å; Y78-I88 HydrophobicContact CE1-CG1 3.84Å; Y78-I88 PolarHBondContact OH-N 2.8Å; I88-V97 HydrophobicContact CG2-CG1 4.03Å; I88-F98 VanDerWaalsContact CA-O 3.3Å; I88-F98 WeakPolarHBondContact CA-O 3.36Å; I88-L99 HydrophobicContact CD1-CD1 4.29Å; I88-L99 HydrophobicContact CG1-CD1 3.65Å
89	S	98.4	Very high	97.6	Very high	58 Å²	58	55.8 Å²	55.8	41%	0.406	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	166.8	173.8	61.6	0	0	0	0	110.7	V97 F98	S89-V97 CarbonylContact O-C 3.55Å; S89-V97 WeakPolarHBondContact O-CA 3.34Å; S89-V97 WeakPolarHBondContact O-CG1 3.44Å; S89-F98 PolarHBondContact N-O 2.89Å; S89-F98 PolarHBondContact O-N 3.45Å
90	K	98.3	Very high	97.6	Very high	42 Å²	42	58.7 Å²	58.7	18%	0.183	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	148.5	177.3	68.2	178.2	-178.2	138.5	0	112	L48 I70 T72 N92 Q96 V97	L48-K90 HydrophobicContact CD1-CB 4.43Å; L48-K90 PolarHBondContact O-NZ 3Å; I70-K90 HydrophobicContact CD1-CB 4.01Å; I70-K90 HydrophobicContact CD1-CD 4Å; I70-K90 HydrophobicContact CD1-CG 3.67Å; I70-K90 HydrophobicContact CG1-CD 4.12Å; I70-K90 HydrophobicContact CG1-CG 4.35Å; I70-K90 HydrophobicContact CG2-CD 4.44Å; T72-K90 PolarHBondContact O-NZ 2.8Å; K90-N92 PolarHBondContact NZ-OD1 2.85Å; K90-N92 VanDerWaalsContact NZ-OD1 3.15Å; K90-Q96 CarbonylContact C-O 3.56Å; K90-Q96 WeakPolarHBondContact CA-O 3.48Å; K90-V97 HydrophobicContact CB-CG2 4.01Å
91	D	98	Very high	97.7	Very high	41 Å²	41	53.4 Å²	53.4	22%	0.219	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	102.7	171.2	-175.7	-17.5	0	0	0	108.3	S93 K94 S95 Q96 F98	D91-S93 PolarHBondContact O-N 3.16Å; D91-S93 WeakPolarHBondContact OD1-CB 3.32Å; D91-S93 PolarHBondContact OD1-N 2.94Å; D91-S93 PolarHBondContact OD1-OG 3.37Å; D91-K94 HydrophobicContact CB-CB 4.37Å; D91-K94 PolarHBondContact O-N 3.08Å; D91-K94 PolarHBondContact OD1-N 2.87Å; D91-K94 WeakPolarHBondContact OD2-CD 3.42Å; D91-K94 VanDerWaalsContact OD2-CE 3.29Å; D91-K94 WeakPolarHBondContact OD2-CE 3.46Å; D91-K94 WeakPolarHBondContact OD2-CG 3.45Å; D91-K94 IonicContact OD2-NZ 2.81Å; D91-K94 PolarHBondContact OD2-NZ 2.84Å; D91-S95 PolarHBondContact O-N 2.77Å; D91-S95 VanDerWaalsContact O-N 3.12Å; D91-Q96 PolarHBondContact N-O 3.13Å; D91-Q96 PolarHBondContact O-N 2.81Å; D91-F98 HydrophobicContact CB-CE2 3.98Å
92	N	97.4	Very high	97.7	Very high	73 Å²	73	52.4 Å²	52.4	39%	0.39	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-64.8	-30.8	-179.6	-63.8	-19.4	0	0	0	111.8	L48 K90 K94 S95	L48-N92 WeakPolarHBondContact CB-OD1 3.3Å; K90-N92 PolarHBondContact NZ-OD1 2.85Å; K90-N92 VanDerWaalsContact NZ-OD1 3.15Å; N92-K94 VanDerWaalsContact C-N 3.27Å; N92-K94 PolarHBondContact O-N 3.34Å; N92-S95 PolarHBondContact O-N 3Å
93	S	96.9	Very high	97.7	Very high	107 Å²	107	55.6 Å²	55.6	75%	0.748	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-70.3	-27	-177.6	73.4	0	0	0	0	112.5	D91	D91-S93 PolarHBondContact O-N 3.16Å; D91-S93 WeakPolarHBondContact OD1-CB 3.32Å; D91-S93 PolarHBondContact OD1-N 2.94Å; D91-S93 PolarHBondContact OD1-OG 3.37Å
94	K	97.8	Very high	97.7	Very high	125 Å²	125	50 Å²	50	54%	0.543	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-101.7	-1.1	177.5	-62.6	-179.4	-169.6	158.9	0	113.4	D91 N92 Q96	D91-K94 HydrophobicContact CB-CB 4.37Å; D91-K94 PolarHBondContact O-N 3.08Å; D91-K94 PolarHBondContact OD1-N 2.87Å; D91-K94 WeakPolarHBondContact OD2-CD 3.42Å; D91-K94 VanDerWaalsContact OD2-CE 3.29Å; D91-K94 WeakPolarHBondContact OD2-CE 3.46Å; D91-K94 WeakPolarHBondContact OD2-CG 3.45Å; D91-K94 IonicContact OD2-NZ 2.81Å; D91-K94 PolarHBondContact OD2-NZ 2.84Å; N92-K94 VanDerWaalsContact C-N 3.27Å; N92-K94 PolarHBondContact O-N 3.34Å; K94-Q96 HydrophobicContact CB-CB 4.26Å; K94-Q96 HydrophobicContact CB-CG 4.19Å; K94-Q96 WeakPolarHBondContact O-CG 3.49Å; K94-Q96 PolarHBondContact O-N 2.86Å
95	S	97.6	Very high	97.6	Very high	42 Å²	42	49.3 Å²	49.3	29%	0.294	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	43.8	-171.2	-58.8	0	0	0	0	112.3	T42 V43 D91 N92	T42-S95 WeakPolarHBondContact CA-O 3.31Å; V43-S95 PolarHBondContact N-O 3.48Å; V43-S95 VanDerWaalsContact O-CB 3.3Å; V43-S95 WeakPolarHBondContact O-CB 3.42Å; D91-S95 PolarHBondContact O-N 2.77Å; D91-S95 VanDerWaalsContact O-N 3.12Å; N92-S95 PolarHBondContact O-N 3Å
96	Q	98.6	Very high	97.5	Very high	49 Å²	49	53.4 Å²	53.4	23%	0.229	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.6	-175.6	-78.4	173.9	-1.9	0	0	112.6	T40 C41 T42 K90 D91 K94 F98	T40-Q96 HydrophobicContact CG2-CB 4.08Å; T40-Q96 HydrophobicContact CG2-CG 3.81Å; C41-Q96 CarbonylContact O-C 3.42Å; C41-Q96 VanDerWaalsContact O-CA 3.31Å; C41-Q96 WeakPolarHBondContact O-CA 3.35Å; T42-Q96 HydrophobicContact CG2-CG 4.37Å; T42-Q96 PolarHBondContact OG1-NE2 2.97Å; K90-Q96 CarbonylContact C-O 3.56Å; K90-Q96 WeakPolarHBondContact CA-O 3.48Å; D91-Q96 PolarHBondContact N-O 3.13Å; D91-Q96 PolarHBondContact O-N 2.81Å; K94-Q96 HydrophobicContact CB-CB 4.26Å; K94-Q96 HydrophobicContact CB-CG 4.19Å; K94-Q96 WeakPolarHBondContact O-CG 3.49Å; K94-Q96 PolarHBondContact O-N 2.86Å; Q96-F98 HydrophobicContact CB-CE1 4.25Å; Q96-F98 HydrophobicContact CB-CE2 4.03Å; Q96-F98 HydrophobicContact CB-CZ 3.66Å
97	V	98.7	Very high	97.3	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	-120.8	137.5	169.7	-175.9	0	0	0	0	108.3	T40 C41 L48 I53 W55 I70 I88 S89 K90	T40-V97 CarbonylContact C-O 3.59Å; T40-V97 WeakPolarHBondContact CA-O 3.26Å; C41-V97 HydrophobicContact CB-CB 4.37Å; C41-V97 PolarHBondContact N-O 2.8Å; C41-V97 PolarHBondContact O-N 2.79Å; L48-V97 HydrophobicContact CD1-CG2 3.85Å; L48-V97 HydrophobicContact CD2-CG2 3.62Å; L48-V97 HydrophobicContact CG-CG2 4.42Å; I53-V97 HydrophobicContact CB-CG1 4.35Å; I53-V97 HydrophobicContact CB-CG2 3.97Å; I53-V97 HydrophobicContact CG1-CG2 3.82Å; I53-V97 HydrophobicContact CG2-CB 4.24Å; I53-V97 HydrophobicContact CG2-CG1 4.13Å; I53-V97 HydrophobicContact CG2-CG2 4.12Å; W55-V97 HydrophobicContact CZ2-CB 4.43Å; W55-V97 HydrophobicContact CZ2-CG1 4.22Å; W55-V97 WeakPolarHBondContact CZ2-O 3.29Å; I70-V97 HydrophobicContact CG2-CG1 3.76Å; I88-V97 HydrophobicContact CG2-CG1 4.03Å; S89-V97 CarbonylContact O-C 3.55Å; S89-V97 WeakPolarHBondContact O-CA 3.34Å; S89-V97 WeakPolarHBondContact O-CG1 3.44Å; K90-V97 HydrophobicContact CB-CG2 4.01Å
98	F	98.6	Very high	97.2	Very high	49 Å²	49	54.5 Å²	54.5	22%	0.215	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.8	-176.9	-51.6	-83	0	0	0	109.9	I39 T40 I88 S89 D91 Q96	I39-F98 WeakPolarHBondContact O-CA 3.49Å; T40-F98 HydrophobicContact CG2-CD1 3.86Å; T40-F98 HydrophobicContact CG2-CE1 3.55Å; T40-F98 HydrophobicContact CG2-CZ 4.39Å; T40-F98 VanDerWaalsContact OG1-CD1 3.31Å; T40-F98 WeakPolarHBondContact OG1-CD1 3.48Å; T40-F98 WeakPolarHBondContact OG1-CE1 3.38Å; I88-F98 VanDerWaalsContact CA-O 3.3Å; I88-F98 WeakPolarHBondContact CA-O 3.36Å; S89-F98 PolarHBondContact N-O 2.89Å; S89-F98 PolarHBondContact O-N 3.45Å; D91-F98 HydrophobicContact CB-CE2 3.98Å; Q96-F98 HydrophobicContact CB-CE1 4.25Å; Q96-F98 HydrophobicContact CB-CE2 4.03Å; Q96-F98 HydrophobicContact CB-CZ 3.66Å
99	L	98.6	Very high	97	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.3	166.9	178.9	71.1	0	0	0	108.1	S38 I39 W55 L67 L86 I88 Y112	S38-L99 WeakPolarHBondContact CA-O 3.41Å; I39-L99 PolarHBondContact N-O 2.96Å; I39-L99 PolarHBondContact O-N 2.8Å; W55-L99 HydrophobicContact CB-CD1 4.26Å; W55-L99 HydrophobicContact CB-CD2 4.17Å; W55-L99 HydrophobicContact CD2-CB 3.69Å; W55-L99 HydrophobicContact CD2-CD2 3.93Å; W55-L99 HydrophobicContact CD2-CG 4.26Å; W55-L99 HydrophobicContact CE3-CB 4.12Å; W55-L99 HydrophobicContact CE3-CD2 3.9Å; W55-L99 HydrophobicContact CG-CB 4.07Å; W55-L99 HydrophobicContact CG-CD1 4.04Å; W55-L99 HydrophobicContact CG-CD2 4.06Å; W55-L99 HydrophobicContact CG-CG 4.29Å; W55-L99 HydrophobicContact CH2-CB 4.21Å; W55-L99 HydrophobicContact CZ2-CB 3.82Å; W55-L99 HydrophobicContact CZ3-CB 4.37Å; L67-L99 HydrophobicContact CD1-CD2 3.75Å; L86-L99 HydrophobicContact CD2-CD1 3.82Å; I88-L99 HydrophobicContact CD1-CD1 4.29Å; I88-L99 HydrophobicContact CG1-CD1 3.65Å; L99-Y112 HydrophobicContact CD2-CD1 3.82Å; L99-Y112 HydrophobicContact CD2-CE1 4.25Å
100	K	98.1	Very high	96.9	Very high	98 Å²	98	57 Å²	57	43%	0.426	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.7	169.8	-170	177.5	-177	-176.8	0	109.5	L37 L86 S87 N102	L37-K100 VanDerWaalsContact O-CA 3.31Å; L37-K100 WeakPolarHBondContact O-CA 3.23Å; L86-K100 CarbonylContact C-O 3.52Å; L86-K100 WeakPolarHBondContact CA-O 3.44Å; S87-K100 PolarHBondContact N-O 3.34Å; S87-K100 PolarHBondContact O-N 2.87Å; K100-N102 VanDerWaalsContact CE-OD1 3.25Å; K100-N102 WeakPolarHBondContact CE-OD1 3.41Å
101	M	97.6	Very high	96.9	Very high	1 Å²	1	62 Å²	62	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	121.8	173.7	-171	179.1	-73.9	0	0	108.8	S36 L37 L67 R85 L86 L104 D108 Y112	S36-M101 CarbonylContact C-O 3.53Å; S36-M101 VanDerWaalsContact CA-O 3.28Å; S36-M101 WeakPolarHBondContact CA-O 3.46Å; L37-M101 HydrophobicContact CB-CB 4.35Å; L37-M101 PolarHBondContact N-O 3.37Å; L37-M101 PolarHBondContact O-N 2.78Å; L67-M101 HydrophobicContact CD1-CE 4.41Å; L67-M101 HydrophobicContact CD2-CE 4.43Å; R85-M101 HydrophobicContact CB-CG 4.49Å; R85-M101 CarbonylContact O-C 3.58Å; R85-M101 WeakPolarHBondContact O-CA 3.37Å; L86-M101 HydrophobicContact CD2-CB 3.97Å; L86-M101 HydrophobicContact CD2-CE 3.31Å; L86-M101 HydrophobicContact CD2-CG 3.98Å; L86-M101 HydrophobicContact CD2-SD 4.47Å; L86-M101 HydrophobicContact CG-CE 4.24Å; M101-L104 HydrophobicContact CB-CD2 4.43Å; M101-L104 HydrophobicContact CG-CD2 4.19Å; M101-L104 HydrophobicContact SD-CD2 3.87Å; M101-D108 HydrophobicContact SD-CB 4.03Å; M101-D108 VanDerWaalsContact SD-CG 3.58Å; M101-Y112 HydrophobicContact CE-CE1 4.07Å
102	N	97	Very high	96.9	Very high	56 Å²	56	61.1 Å²	61.1	30%	0.299	33%	0.325	S	S	.	.			trans	-95.9	159.5	179.8	-56.5	-49.7	0	0	0	110.9	S36 R85 K100 L104	S36-N102 PolarHBondContact OG-OD1 3.31Å; R85-N102 PolarHBondContact NH1-O 2.61Å; R85-N102 PolarHBondContact O-N 3.42Å; K100-N102 VanDerWaalsContact CE-OD1 3.25Å; K100-N102 WeakPolarHBondContact CE-OD1 3.41Å; N102-L104 PolarHBondContact O-N 3.38Å
103	S	95.8	Very high	96.9	Very high	75 Å²	75	60.8 Å²	60.8	52%	0.524	32%	0.319	S	S	.	.	S	Bend	trans	50.4	57.7	176	-55.3	0	0	0	0	111.5	Q35 R85 Q105	Q35-S103 PolarHBondContact O-N 3.36Å; R85-S103 PolarHBondContact NH1-O 2.94Å; R85-S103 VanDerWaalsContact NH1-O 3.12Å; S103-Q105 PolarHBondContact O-N 3.12Å
104	L	96.4	Very high	97	Very high	16 Å²	16	56.1 Å²	56.1	8%	0.084	29%	0.286	C	S	.	.			trans	-55	137.2	-179.3	-79	172.3	0	0	0	111.6	V31 S34 Q35 L37 M101 N102 D108	V31-L104 HydrophobicContact CB-CD1 3.69Å; V31-L104 HydrophobicContact CG1-CD1 3.47Å; V31-L104 VanDerWaalsContact CG1-CD1 3.47Å; S34-L104 PolarHBondContact N-O 3.41Å; Q35-L104 WeakPolarHBondContact O-CG 3.47Å; Q35-L104 PolarHBondContact O-N 3.07Å; L37-L104 HydrophobicContact CB-CD1 3.85Å; L37-L104 HydrophobicContact CB-CD2 3.94Å; L37-L104 HydrophobicContact CB-CG 4.18Å; L37-L104 HydrophobicContact CD2-CD2 4.31Å; M101-L104 HydrophobicContact CB-CD2 4.43Å; M101-L104 HydrophobicContact CG-CD2 4.19Å; M101-L104 HydrophobicContact SD-CD2 3.87Å; N102-L104 PolarHBondContact O-N 3.38Å; L104-D108 HydrophobicContact CD2-CB 3.9Å
105	Q	95.5	Very high	97	Very high	98 Å²	98	52 Å²	52	46%	0.458	28%	0.276	S	S	.	.			trans	-112.9	161.2	176.9	-68.5	174.3	-36.9	0	0	109	S103 D107 D108	S103-Q105 PolarHBondContact O-N 3.12Å; Q105-D107 WeakPolarHBondContact CB-OD1 3.36Å; Q105-D107 PolarHBondContact O-N 3.22Å; Q105-D108 PolarHBondContact N-OD2 3.03Å; Q105-D108 WeakPolarHBondContact O-CB 3.49Å; Q105-D108 PolarHBondContact O-N 3.22Å
106	T	93.3	Very high	96.8	Very high	114 Å²	114	56.1 Å²	56.1	70%	0.699	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-64	-29.7	-179	46.5	0	0	0	0	112.5	D108 T109	T106-D108 PolarHBondContact O-N 3.15Å; T106-T109 WeakPolarHBondContact O-CB 3.24Å; T106-T109 PolarHBondContact O-N 2.97Å; T106-T109 PolarHBondContact O-OG1 3.37Å
107	D	93.2	Very high	96.7	Very high	85 Å²	85	56.5 Å²	56.5	46%	0.455	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-70.7	-12.7	174.8	69.5	-23.4	0	0	0	113.7	Q105 T109	Q105-D107 WeakPolarHBondContact CB-OD1 3.36Å; Q105-D107 PolarHBondContact O-N 3.22Å; D107-T109 PolarHBondContact O-N 3.18Å
108	D	95.9	Very high	96.6	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.032	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-79.4	-2.9	173.6	-60.3	-42.8	0	0	0	113.4	R57 R85 M101 L104 Q105 T106 A110 Y112	R57-D108 IonicContact CZ-OD1 2.72Å; R57-D108 IonicContact NH1-OD1 3.47Å; R57-D108 PolarHBondContact NH1-OD1 2.9Å; R85-D108 IonicContact CZ-OD1 3.17Å; R85-D108 IonicContact CZ-OD2 3.68Å; R85-D108 IonicContact NH1-OD1 3.61Å; R85-D108 IonicContact NH1-OD2 2.7Å; R85-D108 PolarHBondContact NH1-OD2 2.73Å; R85-D108 IonicContact NH2-OD1 2.78Å; R85-D108 PolarHBondContact NH2-OD1 3.34Å; R85-D108 IonicContact NH2-OD2 3.77Å; R85-D108 PolarHBondContact NH2-OD2 3.16Å; M101-D108 HydrophobicContact SD-CB 4.03Å; M101-D108 VanDerWaalsContact SD-CG 3.58Å; L104-D108 HydrophobicContact CD2-CB 3.9Å; Q105-D108 PolarHBondContact N-OD2 3.03Å; Q105-D108 WeakPolarHBondContact O-CB 3.49Å; Q105-D108 PolarHBondContact O-N 3.22Å; T106-D108 PolarHBondContact O-N 3.15Å; D108-A110 PolarHBondContact O-N 3.01Å; D108-Y112 PolarHBondContact O-OH 2.85Å
109	T	95.9	Very high	96.5	Very high	93 Å²	93	60.1 Å²	60.1	57%	0.571	31%	0.308	S	S	*	.			trans	-63.8	106.5	174.4	-55.9	0	0	0	0	109.5	P60 T106 D107	P60-T109 WeakPolarHBondContact CD-O 3.24Å; T106-T109 WeakPolarHBondContact O-CB 3.24Å; T106-T109 PolarHBondContact O-N 2.97Å; T106-T109 PolarHBondContact O-OG1 3.37Å; D107-T109 PolarHBondContact O-N 3.18Å
110	A	96.8	Very high	96.3	Very high	25 Å²	25	63.5 Å²	63.5	21%	0.207	33%	0.326	C	S	.	.	S	Bend	trans	-159.8	164.1	-175.2	0	0	0	0	0	111.5	R57 Q58 P59 D108 Y112	R57-A110 HydrophobicContact CB-CB 3.82Å; R57-A110 HydrophobicContact CG-CB 4.17Å; Q58-A110 WeakPolarHBondContact O-CA 3.03Å; Q58-A110 WeakPolarHBondContact O-CB 3.4Å; P59-A110 HydrophobicContact CB-CB 4.44Å; P59-A110 HydrophobicContact CG-CB 4.31Å; D108-A110 PolarHBondContact O-N 3.01Å; A110-Y112 HydrophobicContact CB-CD2 4.47Å; A110-Y112 HydrophobicContact CB-CE2 3.97Å; A110-Y112 VanDerWaalsContact O-CD2 3.27Å; A110-Y112 WeakPolarHBondContact O-CD2 3.49Å; A110-Y112 WeakPolarHBondContact O-CE2 3.38Å
111	R	97	Very high	96.2	Very high	147 Å²	147	61.3 Å²	61.3	56%	0.555	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	128.2	162.3	-165.1	158.8	-162.3	-53.4	0.4	109.1	R57 Q58 Y113	R57-R111 CarbonylContact C-O 3.45Å; R57-R111 VanDerWaalsContact CA-O 3.23Å; R57-R111 WeakPolarHBondContact CA-O 3.26Å; Q58-R111 PolarHBondContact N-O 2.96Å; Q58-R111 PolarHBondContact O-N 3.01Å; R111-Y113 HydrophobicContact CB-CE2 3.79Å; R111-Y113 WeakPolarHBondContact CD-OH 3.5Å; R111-Y113 HydrophobicContact CG-CD2 4.46Å; R111-Y113 HydrophobicContact CG-CE1 4.1Å; R111-Y113 HydrophobicContact CG-CE2 3.69Å
112	Y	97.9	Very high	96.1	Very high	23 Å²	23	65.3 Å²	65.3	9%	0.09	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.8	-178.6	-69.9	-100.7	0	0	0	109.9	L37 I39 R57 L67 L99 M101 D108 A110	L37-Y112 HydrophobicContact CD2-CD2 4.42Å; L37-Y112 HydrophobicContact CD2-CE1 4.4Å; L37-Y112 HydrophobicContact CD2-CE2 3.96Å; I39-Y112 HydrophobicContact CD1-CD1 3.87Å; I39-Y112 HydrophobicContact CD1-CD2 3.8Å; I39-Y112 HydrophobicContact CD1-CG 3.44Å; I39-Y112 VanDerWaalsContact CD1-CG 3.44Å; R57-Y112 HydrophobicContact CB-CD1 3.87Å; R57-Y112 HydrophobicContact CB-CE1 3.86Å; R57-Y112 HydrophobicContact CB-CG 4.3Å; L67-Y112 HydrophobicContact CD1-CD1 3.72Å; L67-Y112 HydrophobicContact CD1-CE1 3.64Å; L99-Y112 HydrophobicContact CD2-CD1 3.82Å; L99-Y112 HydrophobicContact CD2-CE1 4.25Å; M101-Y112 HydrophobicContact CE-CE1 4.07Å; D108-Y112 PolarHBondContact O-OH 2.85Å; A110-Y112 HydrophobicContact CB-CD2 4.47Å; A110-Y112 HydrophobicContact CB-CE2 3.97Å; A110-Y112 VanDerWaalsContact O-CD2 3.27Å; A110-Y112 WeakPolarHBondContact O-CD2 3.49Å; A110-Y112 WeakPolarHBondContact O-CE2 3.38Å
113	Y	98.1	Very high	96.1	Very high	65 Å²	65	66 Å²	66	26%	0.255	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	145.2	179.8	-49.8	-98.7	0	0	0	110.1	E25 V56 Q58 R111	E25-Y113 WeakPolarHBondContact OE1-CA 3.33Å; V56-Y113 PolarHBondContact N-O 2.85Å; V56-Y113 PolarHBondContact O-N 2.79Å; V56-Y113 VanDerWaalsContact O-O 3.13Å; Q58-Y113 HydrophobicContact CB-CE2 4.02Å; Q58-Y113 PolarHBondContact OE1-OH 2.89Å; R111-Y113 HydrophobicContact CB-CE2 3.79Å; R111-Y113 WeakPolarHBondContact CD-OH 3.5Å; R111-Y113 HydrophobicContact CG-CD2 4.46Å; R111-Y113 HydrophobicContact CG-CE1 4.1Å; R111-Y113 HydrophobicContact CG-CE2 3.69Å
114	C	98.3	Very high	96.1	Very high	9 Å²	9	65.3 Å²	65.3	6%	0.061	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	146.1	162.4	54.6	0	0	0	0	109.8	L23 E25 C41 I53 S54 W55	L23-C114 HydrophobicContact CD2-CB 4.24Å; L23-C114 WeakPolarHBondContact CD2-O 3.39Å; E25-C114 PolarHBondContact OE1-N 3.29Å; E25-C114 PolarHBondContact OE1-SG 2.83Å; C41-C114 HydrophobicContact CB-CB 3.45Å; C41-C114 VanDerWaalsContact CB-CB 3.45Å; C41-C114 WeakPolarHBondContact CB-SG 3.45Å; C41-C114 WeakPolarHBondContact SG-CB 3.28Å; C41-C114 CovalentContact SG-SG 2.01Å; C41-C114 PolarHBondContact SG-SG 3.41Å; I53-C114 HydrophobicContact CG2-CB 3.88Å; S54-C114 CarbonylContact O-C 3.56Å; S54-C114 VanDerWaalsContact O-CA 3.31Å; S54-C114 WeakPolarHBondContact O-CA 3.41Å; W55-C114 HydrophobicContact CD2-CB 4.3Å; W55-C114 HydrophobicContact CE3-CB 4.05Å; W55-C114 HydrophobicContact CH2-CB 4.11Å; W55-C114 HydrophobicContact CZ2-CB 4.31Å; W55-C114 HydrophobicContact CZ3-CB 3.95Å
115	A	97.7	Very high	96.1	Very high	40 Å²	40	69.4 Å²	69.4	33%	0.331	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139	-180	0	0	0	0	0	109.7	I53 S54	I53-A115 CarbonylContact C-O 3.57Å; I53-A115 WeakPolarHBondContact CA-O 3.4Å; S54-A115 PolarHBondContact N-O 3.09Å; S54-A115 PolarHBondContact O-N 3.27Å
116	R	93.3	Very high	96.1	Very high	128 Å²	128	66.8 Å²	66.8	48%	0.483	34%	0.34	S	S	.	.			trans	-93	0	171.9	-173.2	-174.5	74.3	174	-0.9	110	L23 F46 Y51 I53	L23-R116 HydrophobicContact CD2-CB 4.39Å; F46-R116 VanDerWaalsContact CB-NH1 3.34Å; F46-R116 HydrophobicContact CD2-CG 4.48Å; F46-R116 VanDerWaalsContact CE2-CD 3.47Å; F46-R116 HydrophobicContact CE2-CG 3.98Å; F46-R116 VanDerWaalsContact CG-NH1 3.32Å; F46-R116 HydrophobicContact CZ-CB 4.12Å; F46-R116 HydrophobicContact CZ-CG 4.02Å; Y51-R116 HydrophobicContact CD1-CG 3.9Å; Y51-R116 HydrophobicContact CG-CG 3.83Å; I53-R116 HydrophobicContact CD1-CB 4.03Å; I53-R116 HydrophobicContact CD1-CG 4.29Å

Retrieved 116 of 116 residues in 126.8 ms (Link to these results)

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