A0A075B5Q8_MOUSE Loading...

Immunoglobulin heavy variable 2-7

AlphaFold DB , UniProt , Accession A0A075B5Q8, Species MOUSE (Mus musculus, Mouse), Gene Ighv2-7, Length 116 aa.

						>A0A075B5Q8_MOUSE|A0A075B5Q8|Ighv2-7
MAVLGLLLCLVTFPSCVLSQVQMKESGPDLVQPSQTLSLTCTVSGFSLSSYGVHWFRKPPRKGLEWLGGIWSGGSIYYTPALSSRLSVSRDTSKSQVFFKMSSLQSEDTAVYHCAR
					

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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	66.3	Low	70.3	Confident	216 Å²	216	109.8 Å²	109.8	100%	1.064	64%	0.636	S	S	*	*				0	-45.3	0	-68.9	178	70.1	0	0	113	V3 L4 G5	M1-V3 PolarHBondContact O-N 3.47Å; M1-L4 PolarHBondContact O-N 3.36Å; M1-G5 PolarHBondContact O-N 2.97Å; M1-G5 VanDerWaalsContact O-N 3.12Å
2	A	75	Confident	69.9	Low	86 Å²	86	108.2 Å²	108.2	71%	0.711	63%	0.629	S	S	*	*	H	α-helix	trans	-58.1	-40.6	179.9	0	0	0	0	0	114.6	L4 G5 L6	A2-L4 PolarHBondContact O-N 3.28Å; A2-G5 PolarHBondContact O-N 3.48Å; A2-L6 PolarHBondContact O-N 3.36Å
3	V	78.3	Confident	69.4	Low	109 Å²	109	113.5 Å²	113.5	66%	0.661	64%	0.641	S	S	*	*	H	α-helix	trans	-65.2	-38	178.5	-175.6	0	0	0	0	112	M1 L6 L7	M1-V3 PolarHBondContact O-N 3.47Å; V3-L6 PolarHBondContact O-N 3.22Å; V3-L7 HydrophobicContact CG1-CD1 4.23Å; V3-L7 WeakPolarHBondContact O-CG 3.36Å; V3-L7 PolarHBondContact O-N 2.99Å
4	L	73.5	Confident	69	Low	118 Å²	118	111.7 Å²	111.7	62%	0.618	64%	0.636	S	S	*	*	H	α-helix	trans	-67.8	-38.8	176.6	-164.2	68.9	0	0	0	111.2	M1 A2 L7 L8	M1-L4 PolarHBondContact O-N 3.36Å; A2-L4 PolarHBondContact O-N 3.28Å; L4-L7 PolarHBondContact O-N 3.09Å; L4-L8 HydrophobicContact CG-CD1 4.5Å; L4-L8 WeakPolarHBondContact O-CB 3.15Å; L4-L8 VanDerWaalsContact O-CG 3.28Å; L4-L8 WeakPolarHBondContact O-CG 3.13Å; L4-L8 PolarHBondContact O-N 3.12Å
5	G	73	Confident	68.5	Low	36 Å²	36	111.7 Å²	111.7	37%	0.371	65%	0.645	S	S	.	*	H	α-helix	trans	-63.4	-40.8	173.1	0	0	0	0	0	112.8	M1 A2 L8 C9	M1-G5 PolarHBondContact O-N 2.97Å; M1-G5 VanDerWaalsContact O-N 3.12Å; A2-G5 PolarHBondContact O-N 3.48Å; G5-L8 PolarHBondContact O-N 3.4Å; G5-C9 PolarHBondContact O-N 3.37Å
6	L	69.5	Low	68.3	Low	125 Å²	125	112 Å²	112	65%	0.654	65%	0.654	S	S	*	*	H	α-helix	trans	-67.7	-39.5	178	-146.4	116.8	0	0	0	112.2	A2 V3 C9 L10	A2-L6 PolarHBondContact O-N 3.36Å; V3-L6 PolarHBondContact O-N 3.22Å; L6-C9 PolarHBondContact O-N 3.05Å; L6-L10 PolarHBondContact O-N 3.32Å
7	L	70.7	Confident	68.3	Low	104 Å²	104	112.9 Å²	112.9	55%	0.545	66%	0.661	S	S	.	*	H	α-helix	trans	-64.2	-39.8	173	-74.1	166.3	0	0	0	111.8	V3 L4 L10 V11	V3-L7 HydrophobicContact CG1-CD1 4.23Å; V3-L7 WeakPolarHBondContact O-CG 3.36Å; V3-L7 PolarHBondContact O-N 2.99Å; L4-L7 PolarHBondContact O-N 3.09Å; L7-L10 PolarHBondContact O-N 3.29Å; L7-V11 PolarHBondContact O-N 3.09Å
8	L	67.2	Low	68.2	Low	102 Å²	102	115.1 Å²	115.1	53%	0.534	67%	0.669	S	S	.	*	H	α-helix	trans	-64.9	-37.2	175.7	-74.9	166.2	0	0	0	112.5	L4 G5 L10 V11 T12	L4-L8 HydrophobicContact CG-CD1 4.5Å; L4-L8 WeakPolarHBondContact O-CB 3.15Å; L4-L8 VanDerWaalsContact O-CG 3.28Å; L4-L8 WeakPolarHBondContact O-CG 3.13Å; L4-L8 PolarHBondContact O-N 3.12Å; G5-L8 PolarHBondContact O-N 3.4Å; L8-L10 VanDerWaalsContact C-N 3.3Å; L8-L10 PolarHBondContact O-N 2.99Å; L8-V11 HydrophobicContact CD2-CG2 4.37Å; L8-V11 WeakPolarHBondContact O-CG2 3.28Å; L8-V11 PolarHBondContact O-N 3.35Å; L8-T12 WeakPolarHBondContact O-CG2 3.47Å; L8-T12 PolarHBondContact O-N 3.3Å
9	C	67	Low	68.4	Low	81 Å²	81	113.9 Å²	113.9	55%	0.547	67%	0.668	S	S	.	*	H	α-helix	trans	-64.3	-32.3	174.9	-74.1	0	0	0	0	113.4	G5 L6 T12	G5-C9 PolarHBondContact O-N 3.37Å; L6-C9 PolarHBondContact O-N 3.05Å; C9-T12 PolarHBondContact O-OG1 3.4Å
10	L	65.7	Low	69.3	Low	129 Å²	129	115.2 Å²	115.2	68%	0.675	67%	0.667	S	S	*	*	H	α-helix	trans	-72	-28.8	177.9	-69.9	170.1	0	0	0	112.6	L6 L7 L8	L6-L10 PolarHBondContact O-N 3.32Å; L7-L10 PolarHBondContact O-N 3.29Å; L8-L10 VanDerWaalsContact C-N 3.3Å; L8-L10 PolarHBondContact O-N 2.99Å
11	V	67.6	Low	70.4	Confident	102 Å²	102	112.8 Å²	112.8	62%	0.618	65%	0.654	S	S	*	*	H	α-helix	trans	-83.4	-16.9	177.3	-78.5	0	0	0	0	114.2	L7 L8 P14	L7-V11 PolarHBondContact O-N 3.09Å; L8-V11 HydrophobicContact CD2-CG2 4.37Å; L8-V11 WeakPolarHBondContact O-CG2 3.28Å; L8-V11 PolarHBondContact O-N 3.35Å; V11-P14 WeakPolarHBondContact O-CD 3.49Å
12	T	65.7	Low	71.8	Confident	90 Å²	90	107.3 Å²	107.3	55%	0.552	63%	0.626	S	S	*	*	S	Bend	trans	-88.6	-3.9	-178.7	55.6	0	0	0	0	115.1	L8 C9	L8-T12 WeakPolarHBondContact O-CG2 3.47Å; L8-T12 PolarHBondContact O-N 3.3Å; C9-T12 PolarHBondContact O-OG1 3.4Å
13	F	62.9	Low	72.8	Confident	178 Å²	178	106.3 Å²	106.3	78%	0.781	61%	0.607	S	S	*	*	S	Bend	trans	-123.2	30	-175.4	-77.9	-78.4	0	0	0	118.3
14	P	63.8	Low	73.7	Confident	88 Å²	88	108.3 Å²	108.3	57%	0.571	61%	0.607	S	S	*	*			trans	-99.4	3.2	174.4	35	-28.5	0	0	0	115.7	V11 C16	V11-P14 WeakPolarHBondContact O-CD 3.49Å; P14-C16 PolarHBondContact O-N 3.43Å
15	S	61.8	Low	74.9	Confident	111 Å²	111	105.8 Å²	105.8	78%	0.776	59%	0.592	S	S	*	*			trans	-87	0.7	-174	35.5	0	0	0	0	116	V17	S15-V17 PolarHBondContact O-N 3.24Å
16	C	65.8	Low	76.1	Confident	117 Å²	117	107 Å²	107	79%	0.791	60%	0.595	S	S	*	*			trans	-97.7	49.6	171.8	-65.6	0	0	0	0	112	P14 L18	P14-C16 PolarHBondContact O-N 3.43Å; C16-L18 PolarHBondContact O-N 3.3Å
17	V	67.1	Low	77.4	Confident	128 Å²	128	103.2 Å²	103.2	78%	0.776	59%	0.586	S	S	*	*			trans	-74.9	87.3	162	-176.1	0	0	0	0	106.7	S15 S19	S15-V17 PolarHBondContact O-N 3.24Å; V17-S19 PolarHBondContact O-N 3.13Å
18	L	67.4	Low	78.6	Confident	151 Å²	151	101.2 Å²	101.2	79%	0.791	58%	0.579	S	S	*	*			trans	-55.8	131.3	162.6	-67.7	175	0	0	0	106.9	C16 Q20	C16-L18 PolarHBondContact O-N 3.3Å; L18-Q20 PolarHBondContact O-N 3.29Å
19	S	72.2	Confident	79.8	Confident	93 Å²	93	104.2 Å²	104.2	65%	0.65	60%	0.596	S	S	*	*			trans	-56.7	107.2	173.7	-172	0	0	0	0	108.3	V17 V21 G45	V17-S19 PolarHBondContact O-N 3.13Å; S19-V21 PolarHBondContact O-N 2.98Å; S19-G45 WeakPolarHBondContact OG-CA 3.22Å
20	Q	86.3	Confident	81.1	Confident	139 Å²	139	108.2 Å²	108.2	65%	0.65	61%	0.611	S	S	*	*			trans	-72.7	123	-177.7	-171.4	178.1	7.2	0	0	108.2	L18 Q22	L18-Q20 PolarHBondContact O-N 3.29Å; Q20-Q22 HydrophobicContact CG-CG 4.16Å; Q20-Q22 PolarHBondContact O-N 2.79Å
21	V	92.3	Very high	82.5	Confident	65 Å²	65	104 Å²	104	39%	0.394	59%	0.59	S	S	.	*			trans	-67.2	123.6	170.7	171.1	0	0	0	0	108.5	S19 S44 F46	S19-V21 PolarHBondContact O-N 2.98Å; V21-S44 WeakPolarHBondContact CA-O 3.34Å; V21-F46 HydrophobicContact CG1-CD1 3.72Å; V21-F46 HydrophobicContact CG1-CE1 3.83Å; V21-F46 HydrophobicContact CG2-CD1 4.33Å
22	Q	94.4	Very high	83.7	Confident	101 Å²	101	105.5 Å²	105.5	47%	0.472	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.1	145.3	175.8	-54.5	178.3	-22.7	0	0	110.4	Q20 V43 S44	Q20-Q22 HydrophobicContact CG-CG 4.16Å; Q20-Q22 PolarHBondContact O-N 2.79Å; Q22-V43 CarbonylContact O-C 3.46Å; Q22-V43 WeakPolarHBondContact O-CA 3.42Å; Q22-S44 WeakPolarHBondContact CB-OG 3.49Å; Q22-S44 PolarHBondContact N-O 2.84Å; Q22-S44 PolarHBondContact O-N 3.13Å
23	M	96.1	Very high	85.1	Confident	65 Å²	65	105.2 Å²	105.2	32%	0.32	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.7	124.8	173.9	-62.8	176.4	-66.6	0	0	106.3	T42 V43 F46 A115 R116	M23-T42 WeakPolarHBondContact CA-O 3.2Å; M23-V43 HydrophobicContact CG-CG1 4.26Å; M23-F46 HydrophobicContact CG-CE1 4.26Å; M23-A115 HydrophobicContact CE-CB 4.32Å; M23-A115 VanDerWaalsContact SD-CA 3.57Å; M23-R116 HydrophobicContact SD-CB 4.05Å; M23-R116 PolarHBondContact SD-N 3.35Å
24	K	97.7	Very high	86.6	Confident	151 Å²	151	101.6 Å²	101.6	66%	0.657	59%	0.587	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-125.2	112.1	-176.8	-177.4	179	179.1	179.7	0	109.7	T42	K24-T42 PolarHBondContact N-O 2.88Å; K24-T42 PolarHBondContact O-N 2.79Å
25	E	98.1	Very high	88.2	Confident	66 Å²	66	101.8 Å²	101.8	31%	0.308	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.2	142.8	172.7	-58.7	87.6	161.3	0	0	111.2	T40 W55 H113 C114	E25-T40 CarbonylContact C-O 3.56Å; E25-T40 VanDerWaalsContact CA-O 3.29Å; E25-T40 WeakPolarHBondContact CA-O 3.46Å; E25-W55 HydrophobicContact CG-CZ3 4.29Å; E25-H113 VanDerWaalsContact OE1-CA 3.26Å; E25-H113 WeakPolarHBondContact OE1-CA 3.31Å; E25-H113 IonicContact OE1-ND1 3.31Å; E25-C114 HydrophobicContact CG-CB 4.45Å; E25-C114 PolarHBondContact OE1-N 2.78Å
26	S	98.1	Very high	89.9	Confident	61 Å²	61	99.9 Å²	99.9	43%	0.427	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-144.2	152.3	170.3	64.3	0	0	0	0	110.6	L39 T40	S26-L39 CarbonylContact O-C 3.53Å; S26-L39 WeakPolarHBondContact O-CA 3.38Å; S26-T40 PolarHBondContact N-O 3.49Å; S26-T40 PolarHBondContact O-N 2.83Å
27	G	97.6	Very high	91.4	Very high	45 Å²	45	94.9 Å²	94.9	46%	0.464	53%	0.529	S	S	.	.	S	Bend	trans	163.4	-172.8	-176.5	0	0	0	0	0	111
28	P	96.2	Very high	92.9	Very high	62 Å²	62	91.2 Å²	91.2	40%	0.403	51%	0.509	S	S	.	.			trans	-68.1	141.4	173.4	29.6	-34.2	0	0	0	111	V31 L37 S38	P28-V31 HydrophobicContact CB-CG2 3.75Å; P28-V31 HydrophobicContact CG-CG2 3.28Å; P28-L37 HydrophobicContact CG-CD1 3.98Å; P28-S38 WeakPolarHBondContact CD-O 3.38Å
29	D	92.6	Very high	94.4	Very high	166 Å²	166	84.8 Å²	84.8	89%	0.888	48%	0.476	S	S	*	.	S	Bend	trans	-66.3	-40.4	177.2	-67	-30.9	0	0	0	112
30	L	93	Very high	95.6	Very high	164 Å²	164	81.8 Å²	81.8	86%	0.859	45%	0.453	S	S	*	.			trans	-141.1	140.6	-179.5	-69.6	170.7	0	0	0	109.5
31	V	95.3	Very high	96.2	Very high	40 Å²	40	75.1 Å²	75.1	24%	0.242	42%	0.422	C	S	.	.			trans	-132	136.4	178.9	-174.6	0	0	0	0	108.2	P28 Q35 L37 L104	P28-V31 HydrophobicContact CB-CG2 3.75Å; P28-V31 HydrophobicContact CG-CG2 3.28Å; V31-Q35 HydrophobicContact CG1-CB 3.6Å; V31-L37 HydrophobicContact CG2-CD1 3.83Å; V31-L104 HydrophobicContact CB-CD1 3.73Å; V31-L104 HydrophobicContact CG1-CD1 3.4Å
32	Q	93.3	Very high	96.5	Very high	135 Å²	135	74.4 Å²	74.4	63%	0.631	42%	0.418	S	S	*	.			trans	-73.8	156.3	-178.5	-65	-179.3	-3.7	0	0	111.2	Q35	Q32-Q35 HydrophobicContact CB-CG 4.18Å; Q32-Q35 VanDerWaalsContact N-OE1 3.12Å; Q32-Q35 WeakPolarHBondContact O-CB 3.24Å; Q32-Q35 PolarHBondContact O-N 2.83Å
33	P	94.1	Very high	96.7	Very high	83 Å²	83	69.8 Å²	69.8	54%	0.539	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	151.8	168.9	-26	35.2	0	0	0	112.2	Q35	P33-Q35 PolarHBondContact O-N 3.1Å
34	S	95.2	Very high	96.6	Very high	103 Å²	103	69 Å²	69	72%	0.72	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	-7.5	-176.4	-49.6	0	0	0	0	116.1	L104	S34-L104 PolarHBondContact N-O 2.92Å
35	Q	97	Very high	96.5	Very high	91 Å²	91	63.4 Å²	63.4	43%	0.425	38%	0.382	S	S	.	.	S	Bend	trans	-82.6	-178.5	172	-60.6	-175.3	-25.8	0	0	111.4	V31 Q32 P33 S103 L104	V31-Q35 HydrophobicContact CG1-CB 3.6Å; Q32-Q35 HydrophobicContact CB-CG 4.18Å; Q32-Q35 VanDerWaalsContact N-OE1 3.12Å; Q32-Q35 WeakPolarHBondContact O-CB 3.24Å; Q32-Q35 PolarHBondContact O-N 2.83Å; P33-Q35 PolarHBondContact O-N 3.1Å; Q35-S103 PolarHBondContact O-N 2.67Å; Q35-L104 WeakPolarHBondContact O-CG 3.43Å; Q35-L104 PolarHBondContact O-N 2.91Å; Q35-L104 VanDerWaalsContact O-N 3.09Å
36	T	97.6	Very high	96.3	Very high	71 Å²	71	61.4 Å²	61.4	44%	0.436	37%	0.373	S	S	.	.			trans	-110.2	121.1	178.3	-62.1	0	0	0	0	110.1	K100 M101	T36-K100 HydrophobicContact CG2-CB 4.43Å; T36-M101 CarbonylContact C-O 3.58Å; T36-M101 VanDerWaalsContact CA-O 3.31Å; T36-M101 WeakPolarHBondContact CA-O 3.33Å
37	L	98	Very high	96.1	Very high	13 Å²	13	61.1 Å²	61.1	7%	0.068	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	130.7	168.8	178.1	60.4	0	0	0	108.9	P28 V31 L39 F99 K100 M101 L104 Y112	P28-L37 HydrophobicContact CG-CD1 3.98Å; V31-L37 HydrophobicContact CG2-CD1 3.83Å; L37-L39 HydrophobicContact CD1-CD2 3.85Å; L37-L39 HydrophobicContact CD1-CG 4.03Å; L37-L39 HydrophobicContact CD2-CD1 4.07Å; L37-L39 HydrophobicContact CD2-CG 4.29Å; L37-L39 HydrophobicContact CG-CD1 4.32Å; L37-L39 HydrophobicContact CG-CD2 4.37Å; L37-L39 HydrophobicContact CG-CG 3.98Å; L37-F99 HydrophobicContact CD2-CE1 4.22Å; L37-K100 VanDerWaalsContact O-CA 3.23Å; L37-K100 WeakPolarHBondContact O-CA 3.37Å; L37-M101 HydrophobicContact CB-CB 4.38Å; L37-M101 PolarHBondContact N-O 3.45Å; L37-M101 PolarHBondContact O-N 3.32Å; L37-L104 HydrophobicContact CB-CD1 3.92Å; L37-L104 HydrophobicContact CB-CD2 4Å; L37-L104 HydrophobicContact CB-CG 4.34Å; L37-Y112 HydrophobicContact CD2-CD1 4.22Å; L37-Y112 HydrophobicContact CD2-CD2 3.96Å; L37-Y112 HydrophobicContact CD2-CE1 3.97Å; L37-Y112 HydrophobicContact CD2-CE2 3.73Å; L37-Y112 HydrophobicContact CD2-CG 4.2Å
38	S	98.3	Very high	96.1	Very high	51 Å²	51	59.1 Å²	59.1	36%	0.357	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	115.1	173.4	-65.3	0	0	0	0	109.7	P28 F99	P28-S38 WeakPolarHBondContact CD-O 3.38Å; S38-F99 WeakPolarHBondContact CA-O 3.26Å
39	L	98.6	Very high	96	Very high	16 Å²	16	59.8 Å²	59.8	8%	0.084	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	150.6	179.7	-60.5	176.3	0	0	0	110.4	S26 L37 W55 F98 F99 Y112	S26-L39 CarbonylContact O-C 3.53Å; S26-L39 WeakPolarHBondContact O-CA 3.38Å; L37-L39 HydrophobicContact CD1-CD2 3.85Å; L37-L39 HydrophobicContact CD1-CG 4.03Å; L37-L39 HydrophobicContact CD2-CD1 4.07Å; L37-L39 HydrophobicContact CD2-CG 4.29Å; L37-L39 HydrophobicContact CG-CD1 4.32Å; L37-L39 HydrophobicContact CG-CD2 4.37Å; L37-L39 HydrophobicContact CG-CG 3.98Å; L39-W55 HydrophobicContact CB-CH2 3.73Å; L39-W55 HydrophobicContact CB-CZ3 3.91Å; L39-W55 HydrophobicContact CD1-CE3 4.44Å; L39-W55 HydrophobicContact CD1-CZ3 3.93Å; L39-F98 WeakPolarHBondContact O-CA 3.4Å; L39-F99 HydrophobicContact CB-CB 4.37Å; L39-F99 HydrophobicContact CB-CD1 4.27Å; L39-F99 HydrophobicContact CD1-CD1 3.93Å; L39-F99 HydrophobicContact CD1-CE1 4.36Å; L39-F99 HydrophobicContact CG-CD1 4.25Å; L39-F99 PolarHBondContact N-O 2.96Å; L39-F99 PolarHBondContact O-N 2.86Å; L39-Y112 HydrophobicContact CD1-CD1 4.15Å; L39-Y112 HydrophobicContact CD1-CG 3.85Å
40	T	98.7	Very high	96.2	Very high	29 Å²	29	55.5 Å²	55.5	18%	0.178	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.6	172.3	-55.9	0	0	0	0	108.7	E25 S26 Q96 V97 F98	E25-T40 CarbonylContact C-O 3.56Å; E25-T40 VanDerWaalsContact CA-O 3.29Å; E25-T40 WeakPolarHBondContact CA-O 3.46Å; S26-T40 PolarHBondContact N-O 3.49Å; S26-T40 PolarHBondContact O-N 2.83Å; T40-Q96 HydrophobicContact CG2-CB 4.1Å; T40-Q96 HydrophobicContact CG2-CG 3.82Å; T40-V97 CarbonylContact C-O 3.6Å; T40-V97 WeakPolarHBondContact CA-O 3.46Å; T40-F98 HydrophobicContact CG2-CD1 3.92Å; T40-F98 HydrophobicContact CG2-CE1 3.66Å; T40-F98 WeakPolarHBondContact OG1-CD1 3.35Å
41	C	98.6	Very high	96.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	112.5	170.3	177.9	0	0	0	0	108.2	W55 Q96 V97 C114	C41-W55 HydrophobicContact CB-CH2 3.59Å; C41-W55 HydrophobicContact CB-CZ2 3.51Å; C41-Q96 CarbonylContact O-C 3.56Å; C41-Q96 WeakPolarHBondContact O-CA 3.21Å; C41-V97 HydrophobicContact CB-CB 4.34Å; C41-V97 PolarHBondContact N-O 2.92Å; C41-V97 PolarHBondContact O-N 3.1Å; C41-C114 HydrophobicContact CB-CB 3.47Å; C41-C114 VanDerWaalsContact CB-CB 3.47Å; C41-C114 WeakPolarHBondContact CB-SG 3.35Å; C41-C114 WeakPolarHBondContact SG-CB 3.39Å; C41-C114 CovalentContact SG-SG 2.02Å; C41-C114 PolarHBondContact SG-SG 2.86Å
42	T	98.4	Very high	96.4	Very high	50 Å²	50	51 Å²	51	31%	0.307	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.5	173.5	-54.9	0	0	0	0	108.9	M23 K24 S95 Q96	M23-T42 WeakPolarHBondContact CA-O 3.2Å; K24-T42 PolarHBondContact N-O 2.88Å; K24-T42 PolarHBondContact O-N 2.79Å; T42-S95 WeakPolarHBondContact CA-O 3.32Å; T42-Q96 HydrophobicContact CG2-CG 4.38Å
43	V	97.6	Very high	96.7	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.024	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	148.6	-177.5	-51.2	0	0	0	0	111.7	Q22 M23 F46 L48 V53 S95	Q22-V43 CarbonylContact O-C 3.46Å; Q22-V43 WeakPolarHBondContact O-CA 3.42Å; M23-V43 HydrophobicContact CG-CG1 4.26Å; V43-F46 HydrophobicContact CB-CE1 3.75Å; V43-F46 HydrophobicContact CB-CE2 4.23Å; V43-F46 HydrophobicContact CB-CZ 3.55Å; V43-F46 HydrophobicContact CG1-CE1 4.22Å; V43-F46 HydrophobicContact CG1-CE2 4.41Å; V43-F46 HydrophobicContact CG1-CZ 3.65Å; V43-F46 HydrophobicContact CG2-CE1 4.34Å; V43-F46 HydrophobicContact CG2-CE2 4.1Å; V43-F46 HydrophobicContact CG2-CZ 3.94Å; V43-L48 HydrophobicContact CG1-CD2 4.25Å; V43-L48 HydrophobicContact CG2-CD1 3.98Å; V43-L48 HydrophobicContact CG2-CD2 3.69Å; V43-L48 HydrophobicContact CG2-CG 3.58Å; V43-V53 HydrophobicContact CG1-CG2 4.25Å; V43-S95 PolarHBondContact N-O 2.97Å; V43-S95 WeakPolarHBondContact O-CB 3.38Å
44	S	95.6	Very high	96.9	Very high	49 Å²	49	41.8 Å²	41.8	34%	0.343	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	163.2	171.1	65.8	0	0	0	0	110.7	V21 Q22 F46	V21-S44 WeakPolarHBondContact CA-O 3.34Å; Q22-S44 WeakPolarHBondContact CB-OG 3.49Å; Q22-S44 PolarHBondContact N-O 2.84Å; Q22-S44 PolarHBondContact O-N 3.13Å; S44-F46 WeakPolarHBondContact O-CD1 3.44Å; S44-F46 PolarHBondContact O-N 2.81Å
45	G	94	Very high	97	Very high	32 Å²	32	36.9 Å²	36.9	33%	0.33	22%	0.224	S	C	.	.	S	Bend	trans	78	-1.7	-174.4	0	0	0	0	0	115.1	S19	S19-G45 WeakPolarHBondContact OG-CA 3.22Å
46	F	93.4	Very high	97.1	Very high	25 Å²	25	34.8 Å²	34.8	11%	0.11	21%	0.213	C	C	.	.	S	Bend	trans	-153.9	164.4	170.6	67.8	-82.9	0	0	0	111.7	V21 M23 V43 S44 L48 Y51 V53 R116	V21-F46 HydrophobicContact CG1-CD1 3.72Å; V21-F46 HydrophobicContact CG1-CE1 3.83Å; V21-F46 HydrophobicContact CG2-CD1 4.33Å; M23-F46 HydrophobicContact CG-CE1 4.26Å; V43-F46 HydrophobicContact CB-CE1 3.75Å; V43-F46 HydrophobicContact CB-CE2 4.23Å; V43-F46 HydrophobicContact CB-CZ 3.55Å; V43-F46 HydrophobicContact CG1-CE1 4.22Å; V43-F46 HydrophobicContact CG1-CE2 4.41Å; V43-F46 HydrophobicContact CG1-CZ 3.65Å; V43-F46 HydrophobicContact CG2-CE1 4.34Å; V43-F46 HydrophobicContact CG2-CE2 4.1Å; V43-F46 HydrophobicContact CG2-CZ 3.94Å; S44-F46 WeakPolarHBondContact O-CD1 3.44Å; S44-F46 PolarHBondContact O-N 2.81Å; F46-L48 HydrophobicContact CE2-CD2 4.12Å; F46-Y51 HydrophobicContact CB-CD2 4.02Å; F46-Y51 HydrophobicContact CB-CE2 4.2Å; F46-Y51 AromaticContact CD2-CD2 3.77Å; F46-Y51 HydrophobicContact CD2-CD2 3.77Å; F46-Y51 HydrophobicContact CD2-CG 4.1Å; F46-Y51 HydrophobicContact CG-CD2 4.26Å; F46-V53 HydrophobicContact CZ-CG2 4.5Å; F46-R116 HydrophobicContact CD2-CG 4.36Å; F46-R116 HydrophobicContact CE1-CB 4.47Å; F46-R116 HydrophobicContact CE2-CB 4.37Å; F46-R116 VanDerWaalsContact CE2-CD 3.45Å; F46-R116 HydrophobicContact CE2-CG 3.81Å; F46-R116 HydrophobicContact CZ-CB 3.96Å; F46-R116 HydrophobicContact CZ-CG 3.91Å
47	S	94.9	Very high	97	Very high	55 Å²	55	32.5 Å²	32.5	39%	0.385	20%	0.196	S	C	.	.			trans	-96	134.8	175.2	-178.2	0	0	0	0	112.1	S49 S50 Y51	S47-S49 PolarHBondContact O-N 2.92Å; S47-S49 PolarHBondContact OG-N 2.99Å; S47-S49 VanDerWaalsContact OG-N 3.12Å; S47-S49 PolarHBondContact OG-OG 3.14Å; S47-S50 PolarHBondContact O-N 2.81Å; S47-Y51 PolarHBondContact O-N 2.8Å
48	L	96.9	Very high	97	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-13.6	170.5	-73.8	-179.5	0	0	0	114	V43 F46 S50 V53 R90 T92 V97	V43-L48 HydrophobicContact CG1-CD2 4.25Å; V43-L48 HydrophobicContact CG2-CD1 3.98Å; V43-L48 HydrophobicContact CG2-CD2 3.69Å; V43-L48 HydrophobicContact CG2-CG 3.58Å; F46-L48 HydrophobicContact CE2-CD2 4.12Å; L48-S50 VanDerWaalsContact C-N 3.29Å; L48-V53 HydrophobicContact CD2-CG2 3.53Å; L48-R90 HydrophobicContact CB-CG 4.48Å; L48-R90 HydrophobicContact CD1-CG 3.8Å; L48-R90 VanDerWaalsContact O-CZ 3.31Å; L48-R90 PolarHBondContact O-NH1 2.72Å; L48-R90 VanDerWaalsContact O-NH1 3.09Å; L48-T92 HydrophobicContact CB-CG2 3.96Å; L48-V97 HydrophobicContact CD1-CG2 3.94Å; L48-V97 HydrophobicContact CD2-CG2 3.79Å
49	S	95.7	Very high	96.9	Very high	77 Å²	77	35.4 Å²	35.4	54%	0.538	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-20	169.8	63.7	0	0	0	0	112.8	S47 S72	S47-S49 PolarHBondContact O-N 2.92Å; S47-S49 PolarHBondContact OG-N 2.99Å; S47-S49 VanDerWaalsContact OG-N 3.12Å; S47-S49 PolarHBondContact OG-OG 3.14Å; S49-S72 WeakPolarHBondContact O-CB 3.44Å
50	S	95.3	Very high	96.8	Very high	76 Å²	76	39 Å²	39	53%	0.531	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-20.6	-176.8	-55.7	0	0	0	0	113	S47 L48	S47-S50 PolarHBondContact O-N 2.81Å; L48-S50 VanDerWaalsContact C-N 3.29Å
51	Y	96.2	Very high	96.6	Very high	106 Å²	106	50.2 Å²	50.2	42%	0.416	27%	0.266	S	S	.	.			trans	-133.2	149.2	-176.5	-64.1	-86.6	0	0	0	112.8	F46 S47 R116	F46-Y51 HydrophobicContact CB-CD2 4.02Å; F46-Y51 HydrophobicContact CB-CE2 4.2Å; F46-Y51 AromaticContact CD2-CD2 3.77Å; F46-Y51 HydrophobicContact CD2-CD2 3.77Å; F46-Y51 HydrophobicContact CD2-CG 4.1Å; F46-Y51 HydrophobicContact CG-CD2 4.26Å; S47-Y51 PolarHBondContact O-N 2.8Å; Y51-R116 HydrophobicContact CD1-CG 4.04Å; Y51-R116 VanDerWaalsContact CG-CD 3.49Å; Y51-R116 HydrophobicContact CG-CG 4.01Å
52	G	97.3	Very high	96.4	Very high	4 Å²	4	56.5 Å²	56.5	4%	0.041	29%	0.294	C	S	.	.			trans	-79	169.2	167.4	0	0	0	0	0	112	I70 R116	G52-I70 CarbonylContact C-O 3.57Å; G52-I70 WeakPolarHBondContact CA-O 3.23Å; G52-R116 WeakPolarHBondContact O-CG 3.41Å
53	V	98.5	Very high	96.3	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	132.8	168.4	176.5	0	0	0	0	108.4	V43 F46 L48 G69 I70 V97 C114 A115	V43-V53 HydrophobicContact CG1-CG2 4.25Å; F46-V53 HydrophobicContact CZ-CG2 4.5Å; L48-V53 HydrophobicContact CD2-CG2 3.53Å; V53-G69 CarbonylContact O-C 3.39Å; V53-G69 WeakPolarHBondContact O-CA 3.34Å; V53-I70 PolarHBondContact N-O 3.35Å; V53-I70 PolarHBondContact O-N 2.89Å; V53-V97 HydrophobicContact CB-CB 4.34Å; V53-V97 HydrophobicContact CB-CG1 4.23Å; V53-V97 HydrophobicContact CB-CG2 3.8Å; V53-V97 HydrophobicContact CG1-CB 4.24Å; V53-V97 HydrophobicContact CG1-CG1 4.23Å; V53-V97 HydrophobicContact CG1-CG2 4.15Å; V53-V97 HydrophobicContact CG2-CG2 3.76Å; V53-C114 HydrophobicContact CG1-CB 3.93Å; V53-A115 CarbonylContact C-O 3.57Å; V53-A115 WeakPolarHBondContact CA-O 3.26Å
54	H	98.4	Very high	96.2	Very high	23 Å²	23	61.5 Å²	61.5	11%	0.106	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	148.4	-178.7	-63.3	-85.5	0	0	0	110.5	F56 W66 G68 W71 C114 A115	H54-F56 HydrophobicContact CB-CD2 4.4Å; H54-F56 HydrophobicContact CB-CE2 3.51Å; H54-F56 HydrophobicContact CB-CZ 3.91Å; H54-W66 AromaticContact CG-NE1 3.7Å; H54-W66 AromaticContact ND1-CE2 3.88Å; H54-W66 AromaticContact ND1-CZ2 3.97Å; H54-W66 AromaticContact ND1-NE1 3.19Å; H54-W66 PolarHBondContact ND1-NE1 2.87Å; H54-W66 VanDerWaalsContact ND1-NE1 3.19Å; H54-G68 CarbonylContact C-O 3.55Å; H54-G68 WeakPolarHBondContact CA-O 3.46Å; H54-W71 AromaticContact CE1-CZ2 3.95Å; H54-C114 CarbonylContact O-C 3.59Å; H54-C114 VanDerWaalsContact O-CA 3.3Å; H54-C114 WeakPolarHBondContact O-CA 3.5Å; H54-A115 PolarHBondContact N-O 3.49Å; H54-A115 PolarHBondContact O-N 3.17Å
55	W	98.5	Very high	96.3	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.6	177.4	-72.2	95.1	0	0	0	110.1	E25 L39 C41 L67 G68 F99 C114	E25-W55 HydrophobicContact CG-CZ3 4.29Å; L39-W55 HydrophobicContact CB-CH2 3.73Å; L39-W55 HydrophobicContact CB-CZ3 3.91Å; L39-W55 HydrophobicContact CD1-CE3 4.44Å; L39-W55 HydrophobicContact CD1-CZ3 3.93Å; C41-W55 HydrophobicContact CB-CH2 3.59Å; C41-W55 HydrophobicContact CB-CZ2 3.51Å; W55-L67 WeakPolarHBondContact O-CB 3.42Å; W55-L67 PolarHBondContact O-N 2.02Å; W55-G68 PolarHBondContact N-O 3.29Å; W55-F99 HydrophobicContact CB-CD2 3.79Å; W55-F99 HydrophobicContact CB-CE2 4.09Å; W55-F99 HydrophobicContact CB-CG 4.45Å; W55-F99 AromaticContact CD1-CD2 3.87Å; W55-F99 HydrophobicContact CD2-CB 3.53Å; W55-F99 HydrophobicContact CD2-CD2 4.06Å; W55-F99 AromaticContact CD2-CG 3.87Å; W55-F99 HydrophobicContact CD2-CG 3.87Å; W55-F99 HydrophobicContact CE3-CB 4.1Å; W55-F99 HydrophobicContact CE3-CG 4.27Å; W55-F99 HydrophobicContact CG-CB 3.88Å; W55-F99 AromaticContact CG-CD2 3.61Å; W55-F99 HydrophobicContact CG-CD2 3.61Å; W55-F99 HydrophobicContact CG-CE2 4.38Å; W55-F99 AromaticContact CG-CG 3.94Å; W55-F99 HydrophobicContact CG-CG 3.94Å; W55-F99 HydrophobicContact CH2-CB 4.14Å; W55-F99 HydrophobicContact CZ2-CB 3.6Å; W55-F99 HydrophobicContact CZ3-CB 4.38Å; W55-C114 HydrophobicContact CD2-CB 4.18Å; W55-C114 HydrophobicContact CE3-CB 3.99Å; W55-C114 HydrophobicContact CH2-CB 4.07Å; W55-C114 HydrophobicContact CZ2-CB 4.22Å; W55-C114 HydrophobicContact CZ3-CB 3.93Å
56	F	98.2	Very high	96.5	Very high	47 Å²	47	64.9 Å²	64.9	21%	0.206	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	155.8	-179.3	-58.4	-99.3	0	0	0	109.5	H54 L64 E65 W66 Y112 H113 A115	H54-F56 HydrophobicContact CB-CD2 4.4Å; H54-F56 HydrophobicContact CB-CE2 3.51Å; H54-F56 HydrophobicContact CB-CZ 3.91Å; F56-L64 HydrophobicContact CB-CD1 3.75Å; F56-L64 HydrophobicContact CB-CD2 4.34Å; F56-L64 HydrophobicContact CB-CG 4.02Å; F56-L64 HydrophobicContact CD1-CD2 3.82Å; F56-L64 HydrophobicContact CD1-CG 3.99Å; F56-L64 HydrophobicContact CE1-CD2 4.4Å; F56-L64 HydrophobicContact CG-CD1 4.49Å; F56-L64 HydrophobicContact CG-CD2 4.21Å; F56-L64 HydrophobicContact CG-CG 4.33Å; F56-E65 CarbonylContact C-O 3.57Å; F56-E65 WeakPolarHBondContact CA-O 2.98Å; F56-W66 HydrophobicContact CD1-CB 4.05Å; F56-W66 HydrophobicContact CD1-CG 4.49Å; F56-W66 HydrophobicContact CE1-CB 3.99Å; F56-W66 AromaticContact CE1-CD1 3.53Å; F56-W66 HydrophobicContact CE1-CG 4.17Å; F56-W66 AromaticContact CZ-CD1 3.68Å; F56-Y112 WeakPolarHBondContact O-CA 3.45Å; F56-H113 PolarHBondContact N-O 3Å; F56-H113 PolarHBondContact O-N 2.59Å; F56-A115 HydrophobicContact CD2-CB 4.22Å; F56-A115 HydrophobicContact CE2-CB 3.78Å
57	R	97.1	Very high	96.7	Very high	22 Å²	22	63.7 Å²	63.7	8%	0.083	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.6	166.6	68.9	176.4	-176.7	-171.5	3.1	111.3	E65 L67 D108 A110 V111 Y112	R57-E65 HydrophobicContact CG-CB 4.01Å; R57-E65 IonicContact CZ-OE2 3.78Å; R57-E65 VanDerWaalsContact CZ-OE2 3.31Å; R57-E65 PolarHBondContact N-O 2.89Å; R57-E65 IonicContact NE-OE2 3.1Å; R57-E65 PolarHBondContact NE-OE2 3.09Å; R57-E65 IonicContact NH2-OE2 3.38Å; R57-E65 PolarHBondContact NH2-OE2 3.34Å; R57-E65 PolarHBondContact O-N 3.34Å; R57-L67 HydrophobicContact CB-CD1 3.96Å; R57-L67 HydrophobicContact CB-CG 4.46Å; R57-L67 HydrophobicContact CG-CD1 4.05Å; R57-L67 HydrophobicContact CG-CD2 3.89Å; R57-L67 HydrophobicContact CG-CG 4.11Å; R57-D108 IonicContact NH1-OD1 3.35Å; R57-D108 PolarHBondContact NH1-OD1 3.27Å; R57-A110 HydrophobicContact CB-CB 3.75Å; R57-A110 HydrophobicContact CG-CB 4.2Å; R57-V111 CarbonylContact C-O 3.46Å; R57-V111 VanDerWaalsContact CA-O 3.24Å; R57-V111 WeakPolarHBondContact CA-O 3.44Å; R57-Y112 HydrophobicContact CB-CD1 3.95Å; R57-Y112 HydrophobicContact CB-CE1 3.95Å; R57-Y112 HydrophobicContact CB-CG 4.29Å
58	K	97.5	Very high	96.8	Very high	117 Å²	117	61.1 Å²	61.1	51%	0.509	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	96.9	172.7	-173.9	169.3	-178.3	162.5	0	109.4	L64 V111	K58-L64 HydrophobicContact CB-CD1 4.24Å; K58-V111 PolarHBondContact N-O 2.89Å; K58-V111 PolarHBondContact O-N 3.27Å; K58-V111 VanDerWaalsContact O-N 3.13Å
59	P	96.5	Very high	96.9	Very high	9 Å²	9	61 Å²	61	6%	0.058	30%	0.304	C	S	.	.			trans	-66.8	155.5	175.9	-16.2	29.4	0	0	0	111.5	R61 K62 G63 A110	P59-R61 PolarHBondContact O-N 3.03Å; P59-K62 HydrophobicContact CB-CB 3.98Å; P59-K62 HydrophobicContact CB-CD 4Å; P59-K62 HydrophobicContact CB-CG 4.23Å; P59-K62 HydrophobicContact CG-CB 4.17Å; P59-K62 HydrophobicContact CG-CD 4.18Å; P59-K62 PolarHBondContact O-N 2.81Å; P59-K62 VanDerWaalsContact O-N 3.09Å; P59-G63 WeakPolarHBondContact CD-O 3.01Å; P59-A110 HydrophobicContact CB-CB 4.32Å; P59-A110 HydrophobicContact CG-CB 4.23Å
60	P	95.5	Very high	97	Very high	91 Å²	91	57.9 Å²	57.9	59%	0.591	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	130	175.7	-24.4	32.8	0	0	0	111.3	K62 T109	P60-K62 PolarHBondContact O-N 3.45Å; P60-K62 VanDerWaalsContact O-N 3.09Å; P60-T109 WeakPolarHBondContact CD-O 3.29Å
61	R	94.8	Very high	97.2	Very high	264 Å²	264	60 Å²	60	100%	0.996	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	13.5	179.7	-50.8	177.5	178.5	174.8	-1.2	115	P59	P59-R61 PolarHBondContact O-N 3.03Å
62	K	94.6	Very high	97.2	Very high	133 Å²	133	57.2 Å²	57.2	58%	0.578	27%	0.273	S	S	*	.	S	Bend	trans	-115.8	169.8	174.2	-63.4	-169.9	-177.6	177.3	0	111.4	P59 P60	P59-K62 HydrophobicContact CB-CB 3.98Å; P59-K62 HydrophobicContact CB-CD 4Å; P59-K62 HydrophobicContact CB-CG 4.23Å; P59-K62 HydrophobicContact CG-CB 4.17Å; P59-K62 HydrophobicContact CG-CD 4.18Å; P59-K62 PolarHBondContact O-N 2.81Å; P59-K62 VanDerWaalsContact O-N 3.09Å; P60-K62 PolarHBondContact O-N 3.45Å; P60-K62 VanDerWaalsContact O-N 3.09Å
63	G	95.1	Very high	97.1	Very high	51 Å²	51	60.5 Å²	60.5	53%	0.526	31%	0.307	S	S	.	.			trans	-72.3	179.5	173.9	0	0	0	0	0	113	P59	P59-G63 WeakPolarHBondContact CD-O 3.01Å
64	L	97	Very high	97	Very high	107 Å²	107	62.1 Å²	62.1	56%	0.56	32%	0.324	S	S	*	.			trans	-74.4	130.3	170.5	-169.7	72.7	0	0	0	109.1	F56 K58	F56-L64 HydrophobicContact CB-CD1 3.75Å; F56-L64 HydrophobicContact CB-CD2 4.34Å; F56-L64 HydrophobicContact CB-CG 4.02Å; F56-L64 HydrophobicContact CD1-CD2 3.82Å; F56-L64 HydrophobicContact CD1-CG 3.99Å; F56-L64 HydrophobicContact CE1-CD2 4.4Å; F56-L64 HydrophobicContact CG-CD1 4.49Å; F56-L64 HydrophobicContact CG-CD2 4.21Å; F56-L64 HydrophobicContact CG-CG 4.33Å; K58-L64 HydrophobicContact CB-CD1 4.24Å
65	E	97.1	Very high	97	Very high	60 Å²	60	63.9 Å²	63.9	28%	0.28	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.4	178.6	-66.1	177.8	-175.6	0	0	109.4	F56 R57	F56-E65 CarbonylContact C-O 3.57Å; F56-E65 WeakPolarHBondContact CA-O 2.98Å; R57-E65 HydrophobicContact CG-CB 4.01Å; R57-E65 IonicContact CZ-OE2 3.78Å; R57-E65 VanDerWaalsContact CZ-OE2 3.31Å; R57-E65 PolarHBondContact N-O 2.89Å; R57-E65 IonicContact NE-OE2 3.1Å; R57-E65 PolarHBondContact NE-OE2 3.09Å; R57-E65 IonicContact NH2-OE2 3.38Å; R57-E65 PolarHBondContact NH2-OE2 3.34Å; R57-E65 PolarHBondContact O-N 3.34Å
66	W	97.8	Very high	97	Very high	92 Å²	92	67.1 Å²	67.1	35%	0.348	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	137.6	171.4	-178.5	80.3	0	0	0	110.3	H54 F56 G68 T79	H54-W66 AromaticContact CG-NE1 3.7Å; H54-W66 AromaticContact ND1-CE2 3.88Å; H54-W66 AromaticContact ND1-CZ2 3.97Å; H54-W66 AromaticContact ND1-NE1 3.19Å; H54-W66 PolarHBondContact ND1-NE1 2.87Å; H54-W66 VanDerWaalsContact ND1-NE1 3.19Å; F56-W66 HydrophobicContact CD1-CB 4.05Å; F56-W66 HydrophobicContact CD1-CG 4.49Å; F56-W66 HydrophobicContact CE1-CB 3.99Å; F56-W66 AromaticContact CE1-CD1 3.53Å; F56-W66 HydrophobicContact CE1-CG 4.17Å; F56-W66 AromaticContact CZ-CD1 3.68Å; W66-G68 VanDerWaalsContact CZ2-CA 3.43Å; W66-G68 PolarHBondContact NE1-O 3.12Å; W66-T79 VanDerWaalsContact CE3-OG1 3.27Å; W66-T79 PolarHBondContact O-OG1 2.87Å
67	L	98	Very high	97	Very high	1 Å²	1	71 Å²	71	1%	0.005	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-38	-177.4	-63	178.9	0	0	0	112.8	W55 R57 Y78 T79 L82 L86 F99 M101 Y112	W55-L67 WeakPolarHBondContact O-CB 3.42Å; W55-L67 PolarHBondContact O-N 2.02Å; R57-L67 HydrophobicContact CB-CD1 3.96Å; R57-L67 HydrophobicContact CB-CG 4.46Å; R57-L67 HydrophobicContact CG-CD1 4.05Å; R57-L67 HydrophobicContact CG-CD2 3.89Å; R57-L67 HydrophobicContact CG-CG 4.11Å; L67-Y78 CarbonylContact O-C 3.59Å; L67-Y78 WeakPolarHBondContact O-CA 3.45Å; L67-T79 PolarHBondContact O-N 2.86Å; L67-L82 HydrophobicContact CD2-CD1 3.37Å; L67-L86 HydrophobicContact CB-CD1 4.05Å; L67-L86 VanDerWaalsContact O-CD1 3.23Å; L67-L86 WeakPolarHBondContact O-CD1 3.3Å; L67-F99 HydrophobicContact CB-CE2 4.31Å; L67-F99 HydrophobicContact CD1-CE2 3.99Å; L67-F99 HydrophobicContact CD1-CZ 3.72Å; L67-M101 HydrophobicContact CD1-CE 4.48Å; L67-Y112 HydrophobicContact CD1-CD1 3.78Å; L67-Y112 HydrophobicContact CD1-CE1 3.55Å
68	G	98	Very high	97	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.7	179.5	-174.6	0	0	0	0	0	111.9	H54 W55 W66 Y77	H54-G68 CarbonylContact C-O 3.55Å; H54-G68 WeakPolarHBondContact CA-O 3.46Å; W55-G68 PolarHBondContact N-O 3.29Å; W66-G68 VanDerWaalsContact CZ2-CA 3.43Å; W66-G68 PolarHBondContact NE1-O 3.12Å; G68-Y77 CarbonylContact C-O 3.58Å; G68-Y77 WeakPolarHBondContact CA-O 3.48Å
69	G	98	Very high	97	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	167.9	175.8	0	0	0	0	0	112.8	V53 I76 Y77	V53-G69 CarbonylContact O-C 3.39Å; V53-G69 WeakPolarHBondContact O-CA 3.34Å; G69-I76 WeakPolarHBondContact O-CA 2.97Å; G69-Y77 PolarHBondContact N-O 3.49Å; G69-Y77 PolarHBondContact O-N 3.33Å
70	I	98.5	Very high	97	Very high	11 Å²	11	74 Å²	74	6%	0.056	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.8	177.3	-177.1	165.6	0	0	0	109.2	G52 V53 S75 I76 V88 R90 V97	G52-I70 CarbonylContact C-O 3.57Å; G52-I70 WeakPolarHBondContact CA-O 3.23Å; V53-I70 PolarHBondContact N-O 3.35Å; V53-I70 PolarHBondContact O-N 2.89Å; I70-S75 WeakPolarHBondContact CA-O 3.42Å; I70-I76 HydrophobicContact CB-CG1 4.22Å; I70-I76 HydrophobicContact CD1-CD1 4.27Å; I70-I76 HydrophobicContact CD1-CG1 4.02Å; I70-I76 HydrophobicContact CG1-CG1 3.97Å; I70-V88 HydrophobicContact CB-CG1 3.92Å; I70-V88 HydrophobicContact CG2-CG1 3.73Å; I70-R90 HydrophobicContact CD1-CB 3.91Å; I70-R90 HydrophobicContact CG2-CB 4.3Å; I70-V97 HydrophobicContact CG2-CG1 3.92Å
71	W	97.9	Very high	96.9	Very high	121 Å²	121	73.7 Å²	73.7	46%	0.458	40%	0.401	S	S	.	.			trans	-76.7	162.8	177.1	-69.5	93.1	0	0	0	111.6	H54 G73 G74 S75 Y77 R90	H54-W71 AromaticContact CE1-CZ2 3.95Å; W71-G73 PolarHBondContact O-N 3.35Å; W71-G74 PolarHBondContact O-N 3.29Å; W71-S75 PolarHBondContact N-O 3.04Å; W71-Y77 AromaticContact CD1-CD2 3.42Å; W71-Y77 VanDerWaalsContact CD1-CD2 3.42Å; W71-Y77 AromaticContact CD1-CE2 3.36Å; W71-Y77 AromaticContact NE1-CD2 3.29Å; W71-Y77 VanDerWaalsContact NE1-CD2 3.29Å; W71-Y77 AromaticContact NE1-CE2 3.36Å; W71-R90 PolarHBondContact O-NH1 2.77Å
72	S	96.5	Very high	96.9	Very high	47 Å²	47	61.7 Å²	61.7	33%	0.329	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-43.7	175.4	50.7	0	0	0	0	112.3	S49 G74 R90	S49-S72 WeakPolarHBondContact O-CB 3.44Å; S72-G74 PolarHBondContact O-N 2.87Å; S72-G74 VanDerWaalsContact O-N 3.17Å; S72-R90 PolarHBondContact O-NH1 2.79Å; S72-R90 PolarHBondContact O-NH2 2.91Å
73	G	96.2	Very high	96.9	Very high	73 Å²	73	58.3 Å²	58.3	75%	0.753	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-3.3	175.4	0	0	0	0	0	115.9	W71	W71-G73 PolarHBondContact O-N 3.35Å
74	G	96.6	Very high	96.9	Very high	35 Å²	35	60.9 Å²	60.9	36%	0.361	36%	0.36	S	S	.	.	S	Bend	trans	92.5	-6	175.6	0	0	0	0	0	115.3	W71 S72 I76	W71-G74 PolarHBondContact O-N 3.29Å; S72-G74 PolarHBondContact O-N 2.87Å; S72-G74 VanDerWaalsContact O-N 3.17Å; G74-I76 PolarHBondContact O-N 2.77Å
75	S	97.9	Very high	96.9	Very high	61 Å²	61	57.2 Å²	57.2	43%	0.427	34%	0.338	S	S	.	.			trans	-62.6	134.3	172.6	-53.6	0	0	0	0	110.9	I70 W71	I70-S75 WeakPolarHBondContact CA-O 3.42Å; W71-S75 PolarHBondContact N-O 3.04Å
76	I	98.3	Very high	96.9	Very high	68 Å²	68	54.9 Å²	54.9	35%	0.349	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136	-178.5	-53.5	171.4	0	0	0	109.2	G69 I70 G74 Y78 V88	G69-I76 WeakPolarHBondContact O-CA 2.97Å; I70-I76 HydrophobicContact CB-CG1 4.22Å; I70-I76 HydrophobicContact CD1-CD1 4.27Å; I70-I76 HydrophobicContact CD1-CG1 4.02Å; I70-I76 HydrophobicContact CG1-CG1 3.97Å; G74-I76 PolarHBondContact O-N 2.77Å; I76-Y78 HydrophobicContact CG2-CD1 4.43Å; I76-Y78 HydrophobicContact CG2-CD2 4.47Å; I76-Y78 HydrophobicContact CG2-CE1 3.69Å; I76-Y78 HydrophobicContact CG2-CE2 3.75Å; I76-Y78 WeakPolarHBondContact CG2-OH 3.44Å; I76-V88 WeakPolarHBondContact CD1-O 3.44Å; I76-V88 HydrophobicContact CG2-CB 4.31Å
77	Y	97.6	Very high	97	Very high	128 Å²	128	53.3 Å²	53.3	50%	0.502	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.2	175.9	-61.7	-90.8	0	0	0	110.1	G68 G69 W71	G68-Y77 CarbonylContact C-O 3.58Å; G68-Y77 WeakPolarHBondContact CA-O 3.48Å; G69-Y77 PolarHBondContact N-O 3.49Å; G69-Y77 PolarHBondContact O-N 3.33Å; W71-Y77 AromaticContact CD1-CD2 3.42Å; W71-Y77 VanDerWaalsContact CD1-CD2 3.42Å; W71-Y77 AromaticContact CD1-CE2 3.36Å; W71-Y77 AromaticContact NE1-CD2 3.29Å; W71-Y77 VanDerWaalsContact NE1-CD2 3.29Å; W71-Y77 AromaticContact NE1-CE2 3.36Å
78	Y	98	Very high	97	Very high	66 Å²	66	53.4 Å²	53.4	26%	0.259	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	156	178.8	-54.8	-68.1	0	0	0	110.3	L67 I76 P80 L86 V88	L67-Y78 CarbonylContact O-C 3.59Å; L67-Y78 WeakPolarHBondContact O-CA 3.45Å; I76-Y78 HydrophobicContact CG2-CD1 4.43Å; I76-Y78 HydrophobicContact CG2-CD2 4.47Å; I76-Y78 HydrophobicContact CG2-CE1 3.69Å; I76-Y78 HydrophobicContact CG2-CE2 3.75Å; I76-Y78 WeakPolarHBondContact CG2-OH 3.44Å; Y78-P80 WeakPolarHBondContact O-CD 3.5Å; Y78-L86 HydrophobicContact CD1-CB 3.77Å; Y78-L86 HydrophobicContact CD1-CD1 4.23Å; Y78-L86 HydrophobicContact CE1-CB 4.03Å; Y78-L86 HydrophobicContact CG-CB 4.38Å; Y78-V88 HydrophobicContact CE1-CB 4.08Å; Y78-V88 HydrophobicContact CE1-CG2 3.9Å; Y78-V88 PolarHBondContact OH-N 2.89Å; Y78-V88 VanDerWaalsContact OH-N 3.11Å
79	T	96.9	Very high	97	Very high	36 Å²	36	56.1 Å²	56.1	22%	0.221	35%	0.35	C	S	.	.			trans	-63.9	124.3	165.3	-66.5	0	0	0	0	108.9	W66 L67 A81 L82 S83	W66-T79 VanDerWaalsContact CE3-OG1 3.27Å; W66-T79 PolarHBondContact O-OG1 2.87Å; L67-T79 PolarHBondContact O-N 2.86Å; T79-A81 HydrophobicContact CG2-CB 4.42Å; T79-A81 PolarHBondContact O-N 2.79Å; T79-A81 VanDerWaalsContact O-N 3.1Å; T79-L82 PolarHBondContact O-N 3.19Å; T79-S83 PolarHBondContact O-N 2.83Å; T79-S83 VanDerWaalsContact O-N 3.13Å
80	P	96.2	Very high	96.9	Very high	109 Å²	109	59 Å²	59	71%	0.708	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-51.7	-40.9	-172.5	-30.9	35.4	0	0	0	114.1	Y78 L82 S83	Y78-P80 WeakPolarHBondContact O-CD 3.5Å; P80-L82 PolarHBondContact O-N 2.91Å; P80-S83 WeakPolarHBondContact O-CB 3.46Å; P80-S83 PolarHBondContact O-N 3.13Å; P80-S83 PolarHBondContact O-OG 3.1Å
81	A	93.6	Very high	96.9	Very high	85 Å²	85	60.3 Å²	60.3	70%	0.702	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-62.2	-22.5	-179.7	0	0	0	0	0	114.5	T79	T79-A81 HydrophobicContact CG2-CB 4.42Å; T79-A81 PolarHBondContact O-N 2.79Å; T79-A81 VanDerWaalsContact O-N 3.1Å
82	L	94.3	Very high	96.8	Very high	11 Å²	11	58.3 Å²	58.3	6%	0.058	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-115.4	-1.7	-176.5	-59.1	174.6	0	0	0	112.7	L67 T79 P80 S84 R85 L86 M101	L67-L82 HydrophobicContact CD2-CD1 3.37Å; T79-L82 PolarHBondContact O-N 3.19Å; P80-L82 PolarHBondContact O-N 2.91Å; L82-S84 PolarHBondContact O-N 2.94Å; L82-S84 VanDerWaalsContact O-N 3.1Å; L82-R85 PolarHBondContact O-N 3.18Å; L82-L86 HydrophobicContact CB-CD1 3.63Å; L82-L86 HydrophobicContact CB-CG 3.85Å; L82-L86 HydrophobicContact CD1-CD1 4.43Å; L82-L86 WeakPolarHBondContact O-CG 3.45Å; L82-L86 PolarHBondContact O-N 2.87Å; L82-M101 HydrophobicContact CD1-CE 4.05Å
83	S	94.5	Very high	96.8	Very high	63 Å²	63	60.9 Å²	60.9	44%	0.441	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-34.1	-173	58.9	0	0	0	0	114.5	T79 P80 R85	T79-S83 PolarHBondContact O-N 2.83Å; T79-S83 VanDerWaalsContact O-N 3.13Å; P80-S83 WeakPolarHBondContact O-CB 3.46Å; P80-S83 PolarHBondContact O-N 3.13Å; P80-S83 PolarHBondContact O-OG 3.1Å; S83-R85 VanDerWaalsContact C-N 3.31Å; S83-R85 PolarHBondContact O-N 2.82Å
84	S	96.6	Very high	96.8	Very high	105 Å²	105	63.3 Å²	63.3	73%	0.734	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-17.4	179.2	59.1	0	0	0	0	114.3	L82	L82-S84 PolarHBondContact O-N 2.94Å; L82-S84 VanDerWaalsContact O-N 3.1Å
85	R	96.8	Very high	96.9	Very high	29 Å²	29	63.8 Å²	63.8	11%	0.109	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-18.7	-176.6	-57.3	-165.9	-66.1	127	-7.6	112.7	L82 S83 M101 S102 S103 D108	L82-R85 PolarHBondContact O-N 3.18Å; S83-R85 VanDerWaalsContact C-N 3.31Å; S83-R85 PolarHBondContact O-N 2.82Å; R85-M101 CarbonylContact O-C 3.59Å; R85-M101 VanDerWaalsContact O-CA 3.3Å; R85-M101 WeakPolarHBondContact O-CA 3.02Å; R85-S102 PolarHBondContact O-N 3.41Å; R85-S102 PolarHBondContact O-OG 3.3Å; R85-S103 PolarHBondContact NH1-O 3.4Å; R85-S103 VanDerWaalsContact NH1-O 3.12Å; R85-D108 IonicContact CZ-OD1 2.99Å; R85-D108 IonicContact CZ-OD2 2.84Å; R85-D108 IonicContact NH1-OD1 2.92Å; R85-D108 IonicContact NH1-OD2 3.88Å; R85-D108 PolarHBondContact NH1-OD2 3.04Å; R85-D108 IonicContact NH2-OD1 3.83Å; R85-D108 PolarHBondContact NH2-OD1 3.22Å; R85-D108 IonicContact NH2-OD2 2.81Å; R85-D108 PolarHBondContact NH2-OD2 3.27Å; R85-D108 VanDerWaalsContact NH2-OD2 3.1Å
86	L	97.6	Very high	96.9	Very high	12 Å²	12	63.2 Å²	63.2	6%	0.063	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	142.4	-176	-68.7	-175.4	0	0	0	113.4	L67 Y78 L82 F99 K100 M101	L67-L86 HydrophobicContact CB-CD1 4.05Å; L67-L86 VanDerWaalsContact O-CD1 3.23Å; L67-L86 WeakPolarHBondContact O-CD1 3.3Å; Y78-L86 HydrophobicContact CD1-CB 3.77Å; Y78-L86 HydrophobicContact CD1-CD1 4.23Å; Y78-L86 HydrophobicContact CE1-CB 4.03Å; Y78-L86 HydrophobicContact CG-CB 4.38Å; L82-L86 HydrophobicContact CB-CD1 3.63Å; L82-L86 HydrophobicContact CB-CG 3.85Å; L82-L86 HydrophobicContact CD1-CD1 4.43Å; L82-L86 WeakPolarHBondContact O-CG 3.45Å; L82-L86 PolarHBondContact O-N 2.87Å; L86-F99 HydrophobicContact CD1-CE2 4.46Å; L86-F99 HydrophobicContact CD2-CE1 4.5Å; L86-F99 HydrophobicContact CD2-CE2 3.42Å; L86-F99 VanDerWaalsContact CD2-CE2 3.42Å; L86-F99 HydrophobicContact CD2-CZ 3.41Å; L86-F99 VanDerWaalsContact CD2-CZ 3.41Å; L86-F99 HydrophobicContact CG-CE2 4.47Å; L86-K100 CarbonylContact C-O 3.55Å; L86-K100 WeakPolarHBondContact CA-O 3.36Å; L86-M101 HydrophobicContact CD2-CB 3.82Å; L86-M101 HydrophobicContact CD2-CE 3.36Å; L86-M101 HydrophobicContact CD2-CG 3.92Å; L86-M101 HydrophobicContact CD2-SD 4.47Å; L86-M101 HydrophobicContact CG-CE 4.3Å
87	S	98	Very high	96.9	Very high	58 Å²	58	60 Å²	60	41%	0.406	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	129.1	167.1	-179.3	0	0	0	0	109.8	F99 K100	S87-F99 CarbonylContact O-C 3.49Å; S87-F99 WeakPolarHBondContact O-CA 3.3Å; S87-K100 PolarHBondContact N-O 3.17Å; S87-K100 PolarHBondContact O-N 3.36Å
88	V	98.4	Very high	96.9	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.024	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.6	173.9	172.9	0	0	0	0	109	I70 I76 Y78 V97 F98 F99	I70-V88 HydrophobicContact CB-CG1 3.92Å; I70-V88 HydrophobicContact CG2-CG1 3.73Å; I76-V88 WeakPolarHBondContact CD1-O 3.44Å; I76-V88 HydrophobicContact CG2-CB 4.31Å; Y78-V88 HydrophobicContact CE1-CB 4.08Å; Y78-V88 HydrophobicContact CE1-CG2 3.9Å; Y78-V88 PolarHBondContact OH-N 2.89Å; Y78-V88 VanDerWaalsContact OH-N 3.11Å; V88-V97 HydrophobicContact CG1-CG1 4.07Å; V88-F98 VanDerWaalsContact CA-O 3.3Å; V88-F98 WeakPolarHBondContact CA-O 3.41Å; V88-F99 HydrophobicContact CG2-CD2 3.92Å
89	S	97.8	Very high	97	Very high	57 Å²	57	53.3 Å²	53.3	40%	0.399	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	172.6	173.5	70.2	0	0	0	0	111	V97 F98	S89-V97 CarbonylContact O-C 3.57Å; S89-V97 WeakPolarHBondContact O-CA 3.23Å; S89-V97 WeakPolarHBondContact O-CG1 3.3Å; S89-F98 PolarHBondContact N-O 3.31Å; S89-F98 PolarHBondContact O-N 2.81Å
90	R	97.7	Very high	97	Very high	60 Å²	60	56.8 Å²	56.8	23%	0.226	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	139.4	-172.8	-177	174.7	84.5	-160.2	-9.3	111.7	L48 I70 W71 S72 T92 Q96 V97	L48-R90 HydrophobicContact CB-CG 4.48Å; L48-R90 HydrophobicContact CD1-CG 3.8Å; L48-R90 VanDerWaalsContact O-CZ 3.31Å; L48-R90 PolarHBondContact O-NH1 2.72Å; L48-R90 VanDerWaalsContact O-NH1 3.09Å; I70-R90 HydrophobicContact CD1-CB 3.91Å; I70-R90 HydrophobicContact CG2-CB 4.3Å; W71-R90 PolarHBondContact O-NH1 2.77Å; S72-R90 PolarHBondContact O-NH1 2.79Å; S72-R90 PolarHBondContact O-NH2 2.91Å; R90-T92 HydrophobicContact CG-CG2 4.33Å; R90-Q96 WeakPolarHBondContact CA-O 3.44Å; R90-V97 HydrophobicContact CG-CG2 4.06Å
91	D	97.3	Very high	97.1	Very high	38 Å²	38	51.6 Å²	51.6	20%	0.203	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	102.7	168.9	-175.2	-17.5	0	0	0	108.5	S93 K94 S95 Q96 F98	D91-S93 VanDerWaalsContact C-N 3.29Å; D91-S93 PolarHBondContact O-N 2.8Å; D91-S93 WeakPolarHBondContact OD1-CB 3.31Å; D91-S93 PolarHBondContact OD1-N 2.99Å; D91-S93 PolarHBondContact OD1-OG 2.88Å; D91-K94 HydrophobicContact CB-CB 4.39Å; D91-K94 PolarHBondContact O-N 3.33Å; D91-K94 PolarHBondContact OD1-N 2.92Å; D91-K94 WeakPolarHBondContact OD2-CD 3.32Å; D91-K94 VanDerWaalsContact OD2-CE 3.26Å; D91-K94 WeakPolarHBondContact OD2-CE 3.43Å; D91-K94 WeakPolarHBondContact OD2-CG 3.47Å; D91-K94 IonicContact OD2-NZ 2.67Å; D91-K94 PolarHBondContact OD2-NZ 3.47Å; D91-S95 PolarHBondContact O-N 2.93Å; D91-Q96 PolarHBondContact N-O 2.87Å; D91-Q96 PolarHBondContact O-N 3.01Å; D91-F98 HydrophobicContact CB-CE2 3.86Å; D91-F98 HydrophobicContact CB-CZ 4.45Å
92	T	96.3	Very high	97.3	Very high	79 Å²	79	49.5 Å²	49.5	49%	0.485	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-28.3	-179.4	50.6	0	0	0	0	112.4	L48 R90 K94 S95	L48-T92 HydrophobicContact CB-CG2 3.96Å; R90-T92 HydrophobicContact CG-CG2 4.33Å; T92-K94 VanDerWaalsContact C-N 3.25Å; T92-K94 PolarHBondContact O-N 2.99Å; T92-S95 PolarHBondContact O-N 2.96Å
93	S	96	Very high	97.4	Very high	102 Å²	102	52.3 Å²	52.3	71%	0.713	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-27.1	179.2	74.8	0	0	0	0	112.3	D91	D91-S93 VanDerWaalsContact C-N 3.29Å; D91-S93 PolarHBondContact O-N 2.8Å; D91-S93 WeakPolarHBondContact OD1-CB 3.31Å; D91-S93 PolarHBondContact OD1-N 2.99Å; D91-S93 PolarHBondContact OD1-OG 2.88Å
94	K	97.2	Very high	97.5	Very high	124 Å²	124	50.2 Å²	50.2	54%	0.539	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	0.3	178	-62.5	-178.7	-169	156.6	0	113.8	D91 T92 Q96	D91-K94 HydrophobicContact CB-CB 4.39Å; D91-K94 PolarHBondContact O-N 3.33Å; D91-K94 PolarHBondContact OD1-N 2.92Å; D91-K94 WeakPolarHBondContact OD2-CD 3.32Å; D91-K94 VanDerWaalsContact OD2-CE 3.26Å; D91-K94 WeakPolarHBondContact OD2-CE 3.43Å; D91-K94 WeakPolarHBondContact OD2-CG 3.47Å; D91-K94 IonicContact OD2-NZ 2.67Å; D91-K94 PolarHBondContact OD2-NZ 3.47Å; T92-K94 VanDerWaalsContact C-N 3.25Å; T92-K94 PolarHBondContact O-N 2.99Å; K94-Q96 HydrophobicContact CB-CB 4.29Å; K94-Q96 HydrophobicContact CB-CG 4.22Å; K94-Q96 WeakPolarHBondContact O-CG 3.47Å; K94-Q96 PolarHBondContact O-N 3.05Å
95	S	97.2	Very high	97.4	Very high	44 Å²	44	49.5 Å²	49.5	31%	0.308	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	42.8	-171.6	-59.6	0	0	0	0	112.5	T42 V43 D91 T92	T42-S95 WeakPolarHBondContact CA-O 3.32Å; V43-S95 PolarHBondContact N-O 2.97Å; V43-S95 WeakPolarHBondContact O-CB 3.38Å; D91-S95 PolarHBondContact O-N 2.93Å; T92-S95 PolarHBondContact O-N 2.96Å
96	Q	98.5	Very high	97.3	Very high	49 Å²	49	52.6 Å²	52.6	23%	0.229	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.2	-175.2	-77.8	172.8	15	0	0	112.8	T40 C41 T42 R90 D91 K94 F98	T40-Q96 HydrophobicContact CG2-CB 4.1Å; T40-Q96 HydrophobicContact CG2-CG 3.82Å; C41-Q96 CarbonylContact O-C 3.56Å; C41-Q96 WeakPolarHBondContact O-CA 3.21Å; T42-Q96 HydrophobicContact CG2-CG 4.38Å; R90-Q96 WeakPolarHBondContact CA-O 3.44Å; D91-Q96 PolarHBondContact N-O 2.87Å; D91-Q96 PolarHBondContact O-N 3.01Å; K94-Q96 HydrophobicContact CB-CB 4.29Å; K94-Q96 HydrophobicContact CB-CG 4.22Å; K94-Q96 WeakPolarHBondContact O-CG 3.47Å; K94-Q96 PolarHBondContact O-N 3.05Å; Q96-F98 HydrophobicContact CB-CE1 4.23Å; Q96-F98 HydrophobicContact CB-CE2 4.27Å; Q96-F98 HydrophobicContact CB-CZ 3.81Å
97	V	98.6	Very high	97.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.6	170.9	-175.9	0	0	0	0	107.8	T40 C41 L48 V53 I70 V88 S89 R90	T40-V97 CarbonylContact C-O 3.6Å; T40-V97 WeakPolarHBondContact CA-O 3.46Å; C41-V97 HydrophobicContact CB-CB 4.34Å; C41-V97 PolarHBondContact N-O 2.92Å; C41-V97 PolarHBondContact O-N 3.1Å; L48-V97 HydrophobicContact CD1-CG2 3.94Å; L48-V97 HydrophobicContact CD2-CG2 3.79Å; V53-V97 HydrophobicContact CB-CB 4.34Å; V53-V97 HydrophobicContact CB-CG1 4.23Å; V53-V97 HydrophobicContact CB-CG2 3.8Å; V53-V97 HydrophobicContact CG1-CB 4.24Å; V53-V97 HydrophobicContact CG1-CG1 4.23Å; V53-V97 HydrophobicContact CG1-CG2 4.15Å; V53-V97 HydrophobicContact CG2-CG2 3.76Å; I70-V97 HydrophobicContact CG2-CG1 3.92Å; V88-V97 HydrophobicContact CG1-CG1 4.07Å; S89-V97 CarbonylContact O-C 3.57Å; S89-V97 WeakPolarHBondContact O-CA 3.23Å; S89-V97 WeakPolarHBondContact O-CG1 3.3Å; R90-V97 HydrophobicContact CG-CG2 4.06Å
98	F	98.6	Very high	97	Very high	54 Å²	54	55.6 Å²	55.6	24%	0.237	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	142.7	-178	-53.3	-75.4	0	0	0	110	L39 T40 V88 S89 D91 Q96	L39-F98 WeakPolarHBondContact O-CA 3.4Å; T40-F98 HydrophobicContact CG2-CD1 3.92Å; T40-F98 HydrophobicContact CG2-CE1 3.66Å; T40-F98 WeakPolarHBondContact OG1-CD1 3.35Å; V88-F98 VanDerWaalsContact CA-O 3.3Å; V88-F98 WeakPolarHBondContact CA-O 3.41Å; S89-F98 PolarHBondContact N-O 3.31Å; S89-F98 PolarHBondContact O-N 2.81Å; D91-F98 HydrophobicContact CB-CE2 3.86Å; D91-F98 HydrophobicContact CB-CZ 4.45Å; Q96-F98 HydrophobicContact CB-CE1 4.23Å; Q96-F98 HydrophobicContact CB-CE2 4.27Å; Q96-F98 HydrophobicContact CB-CZ 3.81Å
99	F	98.5	Very high	96.8	Very high	1 Å²	1	59.9 Å²	59.9	0%	0.004	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.4	174.9	168.8	-90.1	0	0	0	109.5	L37 S38 L39 W55 L67 L86 S87 V88 M101 Y112	L37-F99 HydrophobicContact CD2-CE1 4.22Å; S38-F99 WeakPolarHBondContact CA-O 3.26Å; L39-F99 HydrophobicContact CB-CB 4.37Å; L39-F99 HydrophobicContact CB-CD1 4.27Å; L39-F99 HydrophobicContact CD1-CD1 3.93Å; L39-F99 HydrophobicContact CD1-CE1 4.36Å; L39-F99 HydrophobicContact CG-CD1 4.25Å; L39-F99 PolarHBondContact N-O 2.96Å; L39-F99 PolarHBondContact O-N 2.86Å; W55-F99 HydrophobicContact CB-CD2 3.79Å; W55-F99 HydrophobicContact CB-CE2 4.09Å; W55-F99 HydrophobicContact CB-CG 4.45Å; W55-F99 AromaticContact CD1-CD2 3.87Å; W55-F99 HydrophobicContact CD2-CB 3.53Å; W55-F99 HydrophobicContact CD2-CD2 4.06Å; W55-F99 AromaticContact CD2-CG 3.87Å; W55-F99 HydrophobicContact CD2-CG 3.87Å; W55-F99 HydrophobicContact CE3-CB 4.1Å; W55-F99 HydrophobicContact CE3-CG 4.27Å; W55-F99 HydrophobicContact CG-CB 3.88Å; W55-F99 AromaticContact CG-CD2 3.61Å; W55-F99 HydrophobicContact CG-CD2 3.61Å; W55-F99 HydrophobicContact CG-CE2 4.38Å; W55-F99 AromaticContact CG-CG 3.94Å; W55-F99 HydrophobicContact CG-CG 3.94Å; W55-F99 HydrophobicContact CH2-CB 4.14Å; W55-F99 HydrophobicContact CZ2-CB 3.6Å; W55-F99 HydrophobicContact CZ3-CB 4.38Å; L67-F99 HydrophobicContact CB-CE2 4.31Å; L67-F99 HydrophobicContact CD1-CE2 3.99Å; L67-F99 HydrophobicContact CD1-CZ 3.72Å; L86-F99 HydrophobicContact CD1-CE2 4.46Å; L86-F99 HydrophobicContact CD2-CE1 4.5Å; L86-F99 HydrophobicContact CD2-CE2 3.42Å; L86-F99 VanDerWaalsContact CD2-CE2 3.42Å; L86-F99 HydrophobicContact CD2-CZ 3.41Å; L86-F99 VanDerWaalsContact CD2-CZ 3.41Å; L86-F99 HydrophobicContact CG-CE2 4.47Å; S87-F99 CarbonylContact O-C 3.49Å; S87-F99 WeakPolarHBondContact O-CA 3.3Å; V88-F99 HydrophobicContact CG2-CD2 3.92Å; F99-M101 HydrophobicContact CE1-CB 3.99Å; F99-M101 HydrophobicContact CZ-CB 4.06Å; F99-M101 HydrophobicContact CZ-CE 4.16Å; F99-Y112 AromaticContact CE1-CD1 3.91Å; F99-Y112 HydrophobicContact CE1-CD1 3.91Å; F99-Y112 AromaticContact CE1-CE1 3.87Å; F99-Y112 HydrophobicContact CE1-CE1 3.87Å; F99-Y112 HydrophobicContact CZ-CD1 4.2Å; F99-Y112 AromaticContact CZ-CE1 3.97Å; F99-Y112 HydrophobicContact CZ-CE1 3.97Å
100	K	98.2	Very high	96.8	Very high	109 Å²	109	58.3 Å²	58.3	47%	0.474	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.6	174	-64.2	-176.6	176.8	179.8	0	110.2	T36 L37 L86 S87	T36-K100 HydrophobicContact CG2-CB 4.43Å; L37-K100 VanDerWaalsContact O-CA 3.23Å; L37-K100 WeakPolarHBondContact O-CA 3.37Å; L86-K100 CarbonylContact C-O 3.55Å; L86-K100 WeakPolarHBondContact CA-O 3.36Å; S87-K100 PolarHBondContact N-O 3.17Å; S87-K100 PolarHBondContact O-N 3.36Å
101	M	97.8	Very high	96.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	111.4	170.6	-178.4	-178.9	-84.2	0	0	108.4	T36 L37 L67 L82 R85 L86 F99 L104 D108 Y112	T36-M101 CarbonylContact C-O 3.58Å; T36-M101 VanDerWaalsContact CA-O 3.31Å; T36-M101 WeakPolarHBondContact CA-O 3.33Å; L37-M101 HydrophobicContact CB-CB 4.38Å; L37-M101 PolarHBondContact N-O 3.45Å; L37-M101 PolarHBondContact O-N 3.32Å; L67-M101 HydrophobicContact CD1-CE 4.48Å; L82-M101 HydrophobicContact CD1-CE 4.05Å; R85-M101 CarbonylContact O-C 3.59Å; R85-M101 VanDerWaalsContact O-CA 3.3Å; R85-M101 WeakPolarHBondContact O-CA 3.02Å; L86-M101 HydrophobicContact CD2-CB 3.82Å; L86-M101 HydrophobicContact CD2-CE 3.36Å; L86-M101 HydrophobicContact CD2-CG 3.92Å; L86-M101 HydrophobicContact CD2-SD 4.47Å; L86-M101 HydrophobicContact CG-CE 4.3Å; F99-M101 HydrophobicContact CE1-CB 3.99Å; F99-M101 HydrophobicContact CZ-CB 4.06Å; F99-M101 HydrophobicContact CZ-CE 4.16Å; M101-L104 HydrophobicContact CB-CD2 4.27Å; M101-L104 HydrophobicContact CG-CD2 3.92Å; M101-L104 HydrophobicContact SD-CD2 3.71Å; M101-D108 HydrophobicContact SD-CB 3.93Å; M101-Y112 HydrophobicContact CE-CE1 4.42Å
102	S	97.3	Very high	96.7	Very high	41 Å²	41	59.1 Å²	59.1	29%	0.287	33%	0.332	S	S	.	.			trans	-86	164	178.6	62	0	0	0	0	111.8	R85 L104	R85-S102 PolarHBondContact O-N 3.41Å; R85-S102 PolarHBondContact O-OG 3.3Å; S102-L104 VanDerWaalsContact C-N 3.32Å; S102-L104 PolarHBondContact O-N 2.83Å
103	S	96.3	Very high	96.8	Very high	70 Å²	70	59.1 Å²	59.1	49%	0.49	33%	0.327	S	S	.	.	S	Bend	trans	49.9	52.8	175.4	-57	0	0	0	0	111.9	Q35 R85 Q105	Q35-S103 PolarHBondContact O-N 2.67Å; R85-S103 PolarHBondContact NH1-O 3.4Å; R85-S103 VanDerWaalsContact NH1-O 3.12Å; S103-Q105 PolarHBondContact O-N 2.99Å
104	L	96.7	Very high	96.9	Very high	18 Å²	18	54.6 Å²	54.6	9%	0.094	30%	0.295	C	S	.	.			trans	-54.9	137.2	-178	-73.5	169.8	0	0	0	111.6	V31 S34 Q35 L37 M101 S102 D108	V31-L104 HydrophobicContact CB-CD1 3.73Å; V31-L104 HydrophobicContact CG1-CD1 3.4Å; S34-L104 PolarHBondContact N-O 2.92Å; Q35-L104 WeakPolarHBondContact O-CG 3.43Å; Q35-L104 PolarHBondContact O-N 2.91Å; Q35-L104 VanDerWaalsContact O-N 3.09Å; L37-L104 HydrophobicContact CB-CD1 3.92Å; L37-L104 HydrophobicContact CB-CD2 4Å; L37-L104 HydrophobicContact CB-CG 4.34Å; M101-L104 HydrophobicContact CB-CD2 4.27Å; M101-L104 HydrophobicContact CG-CD2 3.92Å; M101-L104 HydrophobicContact SD-CD2 3.71Å; S102-L104 VanDerWaalsContact C-N 3.32Å; S102-L104 PolarHBondContact O-N 2.83Å; L104-D108 HydrophobicContact CD2-CB 4.06Å
105	Q	95.6	Very high	96.9	Very high	90 Å²	90	50.2 Å²	50.2	42%	0.421	28%	0.282	S	S	.	.			trans	-113.9	160.6	177.1	-63.4	174.5	-21.8	0	0	109.5	S103 E107 D108	S103-Q105 PolarHBondContact O-N 2.99Å; Q105-E107 HydrophobicContact CB-CG 3.72Å; Q105-E107 PolarHBondContact O-N 3.12Å; Q105-E107 VanDerWaalsContact O-N 3.13Å; Q105-E107 PolarHBondContact OE1-OE1 3.11Å; Q105-E107 VanDerWaalsContact OE1-OE1 3.14Å; Q105-D108 PolarHBondContact N-OD2 3.09Å; Q105-D108 WeakPolarHBondContact O-CB 3.39Å; Q105-D108 PolarHBondContact O-N 3.47Å
106	S	93.5	Very high	96.7	Very high	95 Å²	95	54 Å²	54	66%	0.664	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-57.6	-30.1	178.3	-52.4	0	0	0	0	112.6	D108 T109	S106-D108 PolarHBondContact O-N 2.71Å; S106-T109 WeakPolarHBondContact O-CB 3.19Å; S106-T109 PolarHBondContact O-N 2.83Å; S106-T109 PolarHBondContact O-OG1 3.46Å
107	E	93.5	Very high	96.6	Very high	128 Å²	128	54.2 Å²	54.2	60%	0.598	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-68.2	-15.6	175.2	58.8	-179.9	-126	0	0	114.7	Q105 T109	Q105-E107 HydrophobicContact CB-CG 3.72Å; Q105-E107 PolarHBondContact O-N 3.12Å; Q105-E107 VanDerWaalsContact O-N 3.13Å; Q105-E107 PolarHBondContact OE1-OE1 3.11Å; Q105-E107 VanDerWaalsContact OE1-OE1 3.14Å; E107-T109 VanDerWaalsContact C-N 3.26Å
108	D	95.6	Very high	96.5	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.027	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-83.9	-2.5	176.3	-58.7	-47.8	0	0	0	112.9	R57 R85 M101 L104 Q105 S106 A110 Y112	R57-D108 IonicContact NH1-OD1 3.35Å; R57-D108 PolarHBondContact NH1-OD1 3.27Å; R85-D108 IonicContact CZ-OD1 2.99Å; R85-D108 IonicContact CZ-OD2 2.84Å; R85-D108 IonicContact NH1-OD1 2.92Å; R85-D108 IonicContact NH1-OD2 3.88Å; R85-D108 PolarHBondContact NH1-OD2 3.04Å; R85-D108 IonicContact NH2-OD1 3.83Å; R85-D108 PolarHBondContact NH2-OD1 3.22Å; R85-D108 IonicContact NH2-OD2 2.81Å; R85-D108 PolarHBondContact NH2-OD2 3.27Å; R85-D108 VanDerWaalsContact NH2-OD2 3.1Å; M101-D108 HydrophobicContact SD-CB 3.93Å; L104-D108 HydrophobicContact CD2-CB 4.06Å; Q105-D108 PolarHBondContact N-OD2 3.09Å; Q105-D108 WeakPolarHBondContact O-CB 3.39Å; Q105-D108 PolarHBondContact O-N 3.47Å; S106-D108 PolarHBondContact O-N 2.71Å; D108-A110 PolarHBondContact O-N 2.9Å; D108-Y112 PolarHBondContact O-OH 3.38Å
109	T	95.4	Very high	96.4	Very high	93 Å²	93	57.2 Å²	57.2	57%	0.571	31%	0.311	S	S	*	.			trans	-61.3	107.9	176.5	-54.8	0	0	0	0	110.3	P60 S106 E107	P60-T109 WeakPolarHBondContact CD-O 3.29Å; S106-T109 WeakPolarHBondContact O-CB 3.19Å; S106-T109 PolarHBondContact O-N 2.83Å; S106-T109 PolarHBondContact O-OG1 3.46Å; E107-T109 VanDerWaalsContact C-N 3.26Å
110	A	96.4	Very high	96.3	Very high	24 Å²	24	60.5 Å²	60.5	20%	0.198	33%	0.329	C	S	.	.	S	Bend	trans	-162.5	166.1	-177	0	0	0	0	0	111	R57 P59 D108 Y112	R57-A110 HydrophobicContact CB-CB 3.75Å; R57-A110 HydrophobicContact CG-CB 4.2Å; P59-A110 HydrophobicContact CB-CB 4.32Å; P59-A110 HydrophobicContact CG-CB 4.23Å; D108-A110 PolarHBondContact O-N 2.9Å; A110-Y112 HydrophobicContact CB-CE2 4.08Å; A110-Y112 VanDerWaalsContact O-CD2 3.31Å; A110-Y112 WeakPolarHBondContact O-CD2 3.48Å; A110-Y112 WeakPolarHBondContact O-CE2 3.19Å
111	V	96.4	Very high	96.2	Very high	87 Å²	87	57.5 Å²	57.5	53%	0.527	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	131.7	163.9	-170	0	0	0	0	108.4	R57 K58 H113	R57-V111 CarbonylContact C-O 3.46Å; R57-V111 VanDerWaalsContact CA-O 3.24Å; R57-V111 WeakPolarHBondContact CA-O 3.44Å; K58-V111 PolarHBondContact N-O 2.89Å; K58-V111 PolarHBondContact O-N 3.27Å; K58-V111 VanDerWaalsContact O-N 3.13Å; V111-H113 VanDerWaalsContact CG1-CE1 3.42Å; V111-H113 WeakPolarHBondContact CG1-CE1 3.48Å; V111-H113 WeakPolarHBondContact CG1-NE2 3.43Å
112	Y	97.6	Very high	96.1	Very high	29 Å²	29	61.3 Å²	61.3	11%	0.114	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.7	-177.2	-71	-104.6	0	0	0	110.7	L37 L39 F56 R57 L67 F99 M101 D108 A110	L37-Y112 HydrophobicContact CD2-CD1 4.22Å; L37-Y112 HydrophobicContact CD2-CD2 3.96Å; L37-Y112 HydrophobicContact CD2-CE1 3.97Å; L37-Y112 HydrophobicContact CD2-CE2 3.73Å; L37-Y112 HydrophobicContact CD2-CG 4.2Å; L39-Y112 HydrophobicContact CD1-CD1 4.15Å; L39-Y112 HydrophobicContact CD1-CG 3.85Å; F56-Y112 WeakPolarHBondContact O-CA 3.45Å; R57-Y112 HydrophobicContact CB-CD1 3.95Å; R57-Y112 HydrophobicContact CB-CE1 3.95Å; R57-Y112 HydrophobicContact CB-CG 4.29Å; L67-Y112 HydrophobicContact CD1-CD1 3.78Å; L67-Y112 HydrophobicContact CD1-CE1 3.55Å; F99-Y112 AromaticContact CE1-CD1 3.91Å; F99-Y112 HydrophobicContact CE1-CD1 3.91Å; F99-Y112 AromaticContact CE1-CE1 3.87Å; F99-Y112 HydrophobicContact CE1-CE1 3.87Å; F99-Y112 HydrophobicContact CZ-CD1 4.2Å; F99-Y112 AromaticContact CZ-CE1 3.97Å; F99-Y112 HydrophobicContact CZ-CE1 3.97Å; M101-Y112 HydrophobicContact CE-CE1 4.42Å; D108-Y112 PolarHBondContact O-OH 3.38Å; A110-Y112 HydrophobicContact CB-CE2 4.08Å; A110-Y112 VanDerWaalsContact O-CD2 3.31Å; A110-Y112 WeakPolarHBondContact O-CD2 3.48Å; A110-Y112 WeakPolarHBondContact O-CE2 3.19Å
113	H	97.5	Very high	96	Very high	79 Å²	79	62.8 Å²	62.8	37%	0.366	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	148.9	-178.4	-60.6	-65.7	0	0	0	111.1	E25 F56 V111	E25-H113 VanDerWaalsContact OE1-CA 3.26Å; E25-H113 WeakPolarHBondContact OE1-CA 3.31Å; E25-H113 IonicContact OE1-ND1 3.31Å; F56-H113 PolarHBondContact N-O 3Å; F56-H113 PolarHBondContact O-N 2.59Å; V111-H113 VanDerWaalsContact CG1-CE1 3.42Å; V111-H113 WeakPolarHBondContact CG1-CE1 3.48Å; V111-H113 WeakPolarHBondContact CG1-NE2 3.43Å
114	C	98.2	Very high	95.9	Very high	6 Å²	6	62.2 Å²	62.2	4%	0.041	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	145	167.8	62.6	0	0	0	0	110.8	E25 C41 V53 H54 W55	E25-C114 HydrophobicContact CG-CB 4.45Å; E25-C114 PolarHBondContact OE1-N 2.78Å; C41-C114 HydrophobicContact CB-CB 3.47Å; C41-C114 VanDerWaalsContact CB-CB 3.47Å; C41-C114 WeakPolarHBondContact CB-SG 3.35Å; C41-C114 WeakPolarHBondContact SG-CB 3.39Å; C41-C114 CovalentContact SG-SG 2.02Å; C41-C114 PolarHBondContact SG-SG 2.86Å; V53-C114 HydrophobicContact CG1-CB 3.93Å; H54-C114 CarbonylContact O-C 3.59Å; H54-C114 VanDerWaalsContact O-CA 3.3Å; H54-C114 WeakPolarHBondContact O-CA 3.5Å; W55-C114 HydrophobicContact CD2-CB 4.18Å; W55-C114 HydrophobicContact CE3-CB 3.99Å; W55-C114 HydrophobicContact CH2-CB 4.07Å; W55-C114 HydrophobicContact CZ2-CB 4.22Å; W55-C114 HydrophobicContact CZ3-CB 3.93Å
115	A	97.4	Very high	95.9	Very high	32 Å²	32	65.9 Å²	65.9	26%	0.264	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149.3	171.6	0	0	0	0	0	111.2	M23 V53 H54 F56	M23-A115 HydrophobicContact CE-CB 4.32Å; M23-A115 VanDerWaalsContact SD-CA 3.57Å; V53-A115 CarbonylContact C-O 3.57Å; V53-A115 WeakPolarHBondContact CA-O 3.26Å; H54-A115 PolarHBondContact N-O 3.49Å; H54-A115 PolarHBondContact O-N 3.17Å; F56-A115 HydrophobicContact CD2-CB 4.22Å; F56-A115 HydrophobicContact CE2-CB 3.78Å
116	R	93.4	Very high	95.9	Very high	123 Å²	123	63.7 Å²	63.7	46%	0.464	35%	0.349	S	S	.	.			trans	-76.9	0	173.7	-171.1	-177.6	77.8	170.6	-4.8	111.2	M23 F46 Y51 G52	M23-R116 HydrophobicContact SD-CB 4.05Å; M23-R116 PolarHBondContact SD-N 3.35Å; F46-R116 HydrophobicContact CD2-CG 4.36Å; F46-R116 HydrophobicContact CE1-CB 4.47Å; F46-R116 HydrophobicContact CE2-CB 4.37Å; F46-R116 VanDerWaalsContact CE2-CD 3.45Å; F46-R116 HydrophobicContact CE2-CG 3.81Å; F46-R116 HydrophobicContact CZ-CB 3.96Å; F46-R116 HydrophobicContact CZ-CG 3.91Å; Y51-R116 HydrophobicContact CD1-CG 4.04Å; Y51-R116 VanDerWaalsContact CG-CD 3.49Å; Y51-R116 HydrophobicContact CG-CG 4.01Å; G52-R116 WeakPolarHBondContact O-CG 3.41Å

Retrieved 116 of 116 residues in 166.7 ms (Link to these results)

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