A0A075B5S6_MOUSE Loading...

Immunoglobulin heavy variable 3-1

AlphaFold DB , UniProt , Accession A0A075B5S6, Species MOUSE (Mus musculus, Mouse), Gene Ighv3-1, Length 116 aa.

						>A0A075B5S6_MOUSE|A0A075B5S6|Ighv3-1
MSVLILLWLFTAFPGILSDVQLQESGPGMVKPSQSLSLTCTVTGYSITSGYDWHWIRHFPGNKLEWMGYISYSGSTNYNPSLKSRISITHDTSKNHFFLKLNSVTTEDTATYYCAR
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	49.5	Very low	59.2	Low	242 Å²	242	156.9 Å²	156.9	100%	1.192	81%	0.813	S	S	*	*				0	119	0	-79.1	152.4	65.7	0	0	107.6
2	S	59.3	Low	59.1	Low	130 Å²	130	151.5 Å²	151.5	91%	0.909	81%	0.809	S	S	*	*			trans	49.7	105	176.6	-72.7	0	0	0	0	121
3	V	56.9	Low	59.5	Low	132 Å²	132	154.4 Å²	154.4	80%	0.8	81%	0.81	S	S	*	*			trans	-84.1	149.1	166.4	174.2	0	0	0	0	110.2
4	L	57.3	Low	58.8	Low	132 Å²	132	152.7 Å²	152.7	69%	0.691	81%	0.813	S	S	*	*			trans	-39.1	153.4	173.4	-58.7	85.1	0	0	0	115.7
5	I	67.9	Low	58.5	Low	156 Å²	156	147.1 Å²	147.1	80%	0.8	81%	0.806	S	S	*	*			trans	-155.8	115.3	133.6	-83.3	125.4	0	0	0	108.3	L7	I5-L7 PolarHBondContact O-N 3.15Å
6	L	59.5	Low	58.6	Low	139 Å²	139	147.9 Å²	147.9	73%	0.728	81%	0.807	S	S	*	*			trans	-73.5	112.8	164.9	-79.2	101	0	0	0	108.6	W8	L6-W8 PolarHBondContact O-N 3.18Å
7	L	59.7	Low	58.6	Low	154 Å²	154	149.1 Å²	149.1	81%	0.806	81%	0.811	S	S	*	*			trans	-75.5	99.9	169.2	-80.8	154.3	0	0	0	109.2	I5 L9	I5-L7 PolarHBondContact O-N 3.15Å; L7-L9 PolarHBondContact O-N 2.87Å; L7-L9 VanDerWaalsContact O-N 3.1Å
8	W	61.4	Low	59.1	Low	202 Å²	202	144.7 Å²	144.7	77%	0.765	79%	0.793	S	S	*	*			trans	-68.3	100.4	162.1	-84.2	51.6	0	0	0	108.2	L6 F10	L6-W8 PolarHBondContact O-N 3.18Å; W8-F10 VanDerWaalsContact C-N 3.26Å; W8-F10 HydrophobicContact CB-CD2 4.37Å; W8-F10 HydrophobicContact CB-CE2 4.37Å; W8-F10 HydrophobicContact CD2-CE2 4.48Å; W8-F10 HydrophobicContact CE3-CD2 4.48Å; W8-F10 AromaticContact CE3-CE2 3.56Å; W8-F10 HydrophobicContact CE3-CE2 3.56Å; W8-F10 AromaticContact CE3-CZ 3.68Å; W8-F10 HydrophobicContact CE3-CZ 3.68Å; W8-F10 HydrophobicContact CZ3-CE2 4.27Å; W8-F10 AromaticContact CZ3-CZ 3.96Å; W8-F10 HydrophobicContact CZ3-CZ 3.96Å; W8-F10 PolarHBondContact O-N 2.87Å
9	L	56.2	Low	60.6	Low	156 Å²	156	143.4 Å²	143.4	82%	0.817	79%	0.785	S	S	*	*			trans	-67.9	85.6	168.2	-73.5	163	0	0	0	108.5	L7 T11	L7-L9 PolarHBondContact O-N 2.87Å; L7-L9 VanDerWaalsContact O-N 3.1Å; L9-T11 VanDerWaalsContact C-N 3.25Å; L9-T11 PolarHBondContact O-N 3.43Å
10	F	62	Low	62.3	Low	171 Å²	171	137.6 Å²	137.6	75%	0.75	75%	0.754	S	S	*	*			trans	-73.5	93.2	156.4	-80.8	-75.5	0	0	0	107	W8 A12	W8-F10 VanDerWaalsContact C-N 3.26Å; W8-F10 HydrophobicContact CB-CD2 4.37Å; W8-F10 HydrophobicContact CB-CE2 4.37Å; W8-F10 HydrophobicContact CD2-CE2 4.48Å; W8-F10 HydrophobicContact CE3-CD2 4.48Å; W8-F10 AromaticContact CE3-CE2 3.56Å; W8-F10 HydrophobicContact CE3-CE2 3.56Å; W8-F10 AromaticContact CE3-CZ 3.68Å; W8-F10 HydrophobicContact CE3-CZ 3.68Å; W8-F10 HydrophobicContact CZ3-CE2 4.27Å; W8-F10 AromaticContact CZ3-CZ 3.96Å; W8-F10 HydrophobicContact CZ3-CZ 3.96Å; W8-F10 PolarHBondContact O-N 2.87Å; F10-A12 PolarHBondContact O-N 2.96Å
11	T	62.1	Low	63.9	Low	112 Å²	112	137.1 Å²	137.1	69%	0.687	75%	0.747	S	S	*	*			trans	-53	109.8	167.6	48.1	0	0	0	0	108.6	L9 F13	L9-T11 VanDerWaalsContact C-N 3.25Å; L9-T11 PolarHBondContact O-N 3.43Å; T11-F13 PolarHBondContact O-N 3.21Å
12	A	58.2	Low	66.2	Low	92 Å²	92	127.9 Å²	127.9	76%	0.76	70%	0.702	S	S	*	*			trans	-60.7	116.2	170.4	0	0	0	0	0	108.3	F10 P14	F10-A12 PolarHBondContact O-N 2.96Å; A12-P14 WeakPolarHBondContact O-CD 3.32Å
13	F	63.5	Low	68	Low	189 Å²	189	127.8 Å²	127.8	83%	0.829	69%	0.687	S	S	*	*			trans	-74.7	108.6	166.2	-89.2	-87.8	0	0	0	108	T11 G15	T11-F13 PolarHBondContact O-N 3.21Å; F13-G15 PolarHBondContact O-N 3.47Å
14	P	50.1	Low	70	Confident	131 Å²	131	124.8 Å²	124.8	85%	0.851	66%	0.664	S	S	*	*			trans	-85.5	101.2	173.9	25.1	-9	0	0	0	107.1	A12	A12-P14 WeakPolarHBondContact O-CD 3.32Å
15	G	53.6	Low	72	Confident	68 Å²	68	121.1 Å²	121.1	70%	0.701	65%	0.65	S	S	*	*			trans	164.1	47.8	176.5	0	0	0	0	0	115.3	F13 L17	F13-G15 PolarHBondContact O-N 3.47Å; G15-L17 VanDerWaalsContact C-N 3.28Å; G15-L17 PolarHBondContact O-N 3.45Å; G15-L17 VanDerWaalsContact O-N 3.1Å
16	I	61	Low	73.4	Confident	160 Å²	160	116.1 Å²	116.1	82%	0.821	64%	0.637	S	S	*	*			trans	-80.3	86.6	164.3	-56.4	173.1	0	0	0	106.4	S18	I16-S18 VanDerWaalsContact C-N 3.34Å; I16-S18 PolarHBondContact O-N 2.81Å; I16-S18 VanDerWaalsContact O-N 3.11Å
17	L	58.3	Low	75.2	Confident	169 Å²	169	112.6 Å²	112.6	89%	0.885	62%	0.622	S	S	*	*			trans	-61.1	109.6	149.4	-82.7	164.4	0	0	0	104.5	G15 D19	G15-L17 VanDerWaalsContact C-N 3.28Å; G15-L17 PolarHBondContact O-N 3.45Å; G15-L17 VanDerWaalsContact O-N 3.1Å; L17-D19 PolarHBondContact O-N 2.95Å
18	S	68.4	Low	77	Confident	70 Å²	70	109.5 Å²	109.5	49%	0.49	63%	0.628	S	S	.	*			trans	-63.4	106.5	179.3	-175.7	0	0	0	0	107.8	I16 G44	I16-S18 VanDerWaalsContact C-N 3.34Å; I16-S18 PolarHBondContact O-N 2.81Å; I16-S18 VanDerWaalsContact O-N 3.11Å; S18-G44 WeakPolarHBondContact OG-CA 3.26Å
19	D	87.5	Confident	78.6	Confident	120 Å²	120	108.2 Å²	108.2	64%	0.642	63%	0.633	S	S	*	*			trans	-62.6	148	171.2	-160.2	5.1	0	0	0	109	L17 Q21	L17-D19 PolarHBondContact O-N 2.95Å; D19-Q21 PolarHBondContact O-N 3.05Å
20	V	93.2	Very high	80.6	Confident	27 Å²	27	102.6 Å²	102.6	16%	0.164	61%	0.605	C	S	.	*			trans	-77.6	118.6	-179.1	-173.7	0	0	0	0	108.1	V42 T43 Y45 W53	V20-V42 HydrophobicContact CG1-CG1 4.13Å; V20-T43 WeakPolarHBondContact CA-O 3.15Å; V20-Y45 HydrophobicContact CG2-CD2 4.23Å; V20-Y45 HydrophobicContact CG2-CG 4.17Å; V20-W53 HydrophobicContact CG1-CH2 4.46Å
21	Q	96.2	Very high	82.3	Confident	128 Å²	128	101.7 Å²	101.7	60%	0.598	60%	0.6	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.7	142.5	177.1	-41.4	177.9	-45.6	0	0	110.5	D19 V42 T43	D19-Q21 PolarHBondContact O-N 3.05Å; Q21-V42 WeakPolarHBondContact O-CA 3.24Å; Q21-T43 WeakPolarHBondContact CB-OG1 3.35Å; Q21-T43 PolarHBondContact N-O 3.38Å; Q21-T43 PolarHBondContact O-N 2.79Å; Q21-T43 PolarHBondContact OE1-OG1 2.82Å
22	L	97.9	Very high	83.9	Confident	47 Å²	47	100.5 Å²	100.5	25%	0.246	60%	0.595	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.1	130.8	178	-55.4	179.6	0	0	0	108.2	V42 W53 C114	L22-V42 HydrophobicContact CD2-CB 4.27Å; L22-V42 HydrophobicContact CD2-CG1 4.06Å; L22-V42 HydrophobicContact CD2-CG2 3.68Å; L22-W53 HydrophobicContact CD2-CE3 4.24Å; L22-W53 HydrophobicContact CD2-CZ3 3.79Å; L22-C114 HydrophobicContact CB-CB 4.07Å; L22-C114 HydrophobicContact CD1-CB 3.98Å
23	Q	98.1	Very high	85.8	Confident	128 Å²	128	100.9 Å²	100.9	60%	0.598	59%	0.592	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-131	112.7	179.6	-176.3	178.7	-4.9	0	0	110.7	C40 T41	Q23-C40 WeakPolarHBondContact O-CA 3.26Å; Q23-T41 PolarHBondContact N-O 3.27Å; Q23-T41 PolarHBondContact O-N 2.87Å
24	E	98.6	Very high	87.4	Confident	69 Å²	69	96.7 Å²	96.7	32%	0.322	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.5	142.1	174.8	-56.8	83.8	174	0	0	111.5	T39 W55 Y113 C114	E24-T39 CarbonylContact C-O 3.58Å; E24-T39 WeakPolarHBondContact CA-O 3.37Å; E24-W55 HydrophobicContact CG-CH2 4.44Å; E24-W55 HydrophobicContact CG-CZ3 4.14Å; E24-Y113 WeakPolarHBondContact OE1-CA 3.32Å; E24-C114 HydrophobicContact CG-CB 4.3Å; E24-C114 PolarHBondContact OE1-N 3.35Å
25	S	98.6	Very high	89.7	Confident	56 Å²	56	93.1 Å²	93.1	39%	0.392	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-149.3	154.5	172.7	59.6	0	0	0	0	111.6	L38 T39	S25-L38 CarbonylContact O-C 3.57Å; S25-L38 WeakPolarHBondContact O-CA 3.35Å; S25-T39 PolarHBondContact N-O 2.92Å; S25-T39 PolarHBondContact O-N 2.83Å
26	G	98.2	Very high	91.8	Very high	51 Å²	51	90.5 Å²	90.5	53%	0.526	52%	0.523	S	S	.	.	S	Bend	trans	159.6	-174.7	-179.1	0	0	0	0	0	112.2
27	P	97.6	Very high	93.6	Very high	64 Å²	64	85.9 Å²	85.9	42%	0.416	51%	0.505	S	S	.	.			trans	-69.6	132.6	177.9	29.7	-33.5	0	0	0	110.6	M29 V30 L36 S37	P27-M29 VanDerWaalsContact C-N 3.27Å; P27-M29 PolarHBondContact O-N 3.27Å; P27-V30 HydrophobicContact CB-CG2 4.04Å; P27-V30 HydrophobicContact CG-CG2 3.64Å; P27-L36 HydrophobicContact CG-CD1 3.74Å; P27-S37 VanDerWaalsContact CD-O 3.24Å; P27-S37 WeakPolarHBondContact CD-O 3.49Å
28	G	95.9	Very high	95.6	Very high	90 Å²	90	78.6 Å²	78.6	93%	0.928	47%	0.466	S	S	*	.	S	Bend	trans	-72.6	-18.4	176	0	0	0	0	0	114.2
29	M	96.5	Very high	97	Very high	175 Å²	175	76.7 Å²	76.7	86%	0.862	45%	0.452	S	S	*	.			trans	-147.2	139.9	178	-172.7	-177.3	-66.4	0	0	110.2	P27	P27-M29 VanDerWaalsContact C-N 3.27Å; P27-M29 PolarHBondContact O-N 3.27Å
30	V	97.3	Very high	97.5	Very high	38 Å²	38	71 Å²	71	23%	0.23	42%	0.421	C	S	.	.			trans	-136.4	141.9	178.3	178.7	0	0	0	0	107.9	P27 Q34 L36 V104	P27-V30 HydrophobicContact CB-CG2 4.04Å; P27-V30 HydrophobicContact CG-CG2 3.64Å; V30-Q34 HydrophobicContact CG1-CB 3.54Å; V30-L36 HydrophobicContact CG2-CB 4.49Å; V30-L36 HydrophobicContact CG2-CD1 3.91Å; V30-V104 HydrophobicContact CB-CG2 4.33Å; V30-V104 HydrophobicContact CG1-CG2 3.77Å
31	K	97.3	Very high	97.8	Very high	151 Å²	151	71.2 Å²	71.2	66%	0.657	42%	0.423	S	S	*	.			trans	-75.1	152.8	177.9	-64.2	-178.6	179.5	179.7	0	110.6	Q34 V104	K31-Q34 HydrophobicContact CB-CG 4.15Å; K31-Q34 VanDerWaalsContact N-OE1 3.14Å; K31-Q34 WeakPolarHBondContact O-CB 3.48Å; K31-Q34 PolarHBondContact O-N 3.2Å; K31-V104 VanDerWaalsContact O-CG2 3.32Å; K31-V104 WeakPolarHBondContact O-CG2 3.3Å
32	P	96.8	Very high	97.9	Very high	88 Å²	88	65.3 Å²	65.3	57%	0.571	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	147.3	171.9	-27.2	35.4	0	0	0	112.6	Q34 V104	P32-Q34 PolarHBondContact O-N 3.3Å; P32-Q34 VanDerWaalsContact O-N 3.15Å; P32-V104 CarbonylContact C-O 3.54Å; P32-V104 WeakPolarHBondContact CA-O 3.44Å
33	S	97.1	Very high	97.8	Very high	100 Å²	100	65.6 Å²	65.6	70%	0.699	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	-5.9	-176	-47.8	0	0	0	0	116.2	V104	S33-V104 PolarHBondContact N-O 2.82Å
34	Q	98	Very high	97.7	Very high	100 Å²	100	61.4 Å²	61.4	47%	0.467	39%	0.391	S	S	.	.	S	Bend	trans	-80.3	177.8	171.1	-61.8	-171.5	-43	0	0	111.2	V30 K31 P32 S103 V104	V30-Q34 HydrophobicContact CG1-CB 3.54Å; K31-Q34 HydrophobicContact CB-CG 4.15Å; K31-Q34 VanDerWaalsContact N-OE1 3.14Å; K31-Q34 WeakPolarHBondContact O-CB 3.48Å; K31-Q34 PolarHBondContact O-N 3.2Å; P32-Q34 PolarHBondContact O-N 3.3Å; P32-Q34 VanDerWaalsContact O-N 3.15Å; Q34-S103 PolarHBondContact O-N 3.12Å; Q34-V104 WeakPolarHBondContact O-CG2 3.4Å; Q34-V104 PolarHBondContact O-N 2.83Å
35	S	98.1	Very high	97.5	Very high	56 Å²	56	61.2 Å²	61.2	39%	0.392	39%	0.387	S	S	.	.			trans	-103.6	133	175	-57.5	0	0	0	0	110.6	L101 N102	S35-L101 CarbonylContact C-O 3.6Å; S35-L101 VanDerWaalsContact CA-O 3.3Å; S35-L101 WeakPolarHBondContact CA-O 3.46Å; S35-N102 PolarHBondContact OG-OD1 3.06Å
36	L	98.4	Very high	97.3	Very high	14 Å²	14	60.7 Å²	60.7	7%	0.073	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	136.1	166.6	173.5	63.9	0	0	0	108.8	P27 V30 L38 K100 L101 V104 Y112	P27-L36 HydrophobicContact CG-CD1 3.74Å; V30-L36 HydrophobicContact CG2-CB 4.49Å; V30-L36 HydrophobicContact CG2-CD1 3.91Å; L36-L38 HydrophobicContact CD1-CD2 3.75Å; L36-L38 HydrophobicContact CD1-CG 4.12Å; L36-L38 HydrophobicContact CD2-CD1 4.23Å; L36-L38 HydrophobicContact CD2-CG 4.26Å; L36-L38 HydrophobicContact CG-CD2 4.24Å; L36-L38 HydrophobicContact CG-CG 4.05Å; L36-K100 WeakPolarHBondContact O-CA 3.33Å; L36-L101 HydrophobicContact CB-CB 4.34Å; L36-L101 PolarHBondContact N-O 2.84Å; L36-L101 PolarHBondContact O-N 2.72Å; L36-V104 HydrophobicContact CB-CG1 3.78Å; L36-Y112 HydrophobicContact CD2-CD2 4.42Å; L36-Y112 HydrophobicContact CD2-CE1 4.19Å; L36-Y112 HydrophobicContact CD2-CE2 3.9Å
37	S	98.5	Very high	97.3	Very high	63 Å²	63	58.3 Å²	58.3	44%	0.441	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	115.9	174.2	-63.9	0	0	0	0	109.3	P27 L99	P27-S37 VanDerWaalsContact CD-O 3.24Å; P27-S37 WeakPolarHBondContact CD-O 3.49Å; S37-L99 CarbonylContact C-O 3.5Å; S37-L99 WeakPolarHBondContact CA-O 3.12Å
38	L	98.8	Very high	97.2	Very high	15 Å²	15	58.1 Å²	58.1	8%	0.079	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	149.6	179.2	-58.8	-179.7	0	0	0	110	S25 L36 W55 F98 L99 Y112	S25-L38 CarbonylContact O-C 3.57Å; S25-L38 WeakPolarHBondContact O-CA 3.35Å; L36-L38 HydrophobicContact CD1-CD2 3.75Å; L36-L38 HydrophobicContact CD1-CG 4.12Å; L36-L38 HydrophobicContact CD2-CD1 4.23Å; L36-L38 HydrophobicContact CD2-CG 4.26Å; L36-L38 HydrophobicContact CG-CD2 4.24Å; L36-L38 HydrophobicContact CG-CG 4.05Å; L38-W55 HydrophobicContact CB-CH2 3.57Å; L38-W55 HydrophobicContact CB-CZ2 4.15Å; L38-W55 HydrophobicContact CB-CZ3 4.01Å; L38-W55 HydrophobicContact CD1-CE3 4.47Å; L38-W55 HydrophobicContact CD1-CH2 4.32Å; L38-W55 HydrophobicContact CD1-CZ3 3.87Å; L38-F98 VanDerWaalsContact O-CA 3.27Å; L38-F98 WeakPolarHBondContact O-CA 3.29Å; L38-L99 HydrophobicContact CB-CB 4.4Å; L38-L99 HydrophobicContact CD1-CD2 4.28Å; L38-L99 PolarHBondContact N-O 2.84Å; L38-L99 PolarHBondContact O-N 2.84Å; L38-Y112 HydrophobicContact CD1-CD1 3.76Å; L38-Y112 HydrophobicContact CD1-CD2 4.07Å; L38-Y112 HydrophobicContact CD1-CG 3.45Å; L38-Y112 VanDerWaalsContact CD1-CG 3.45Å
39	T	98.8	Very high	97.2	Very high	31 Å²	31	57.4 Å²	57.4	19%	0.19	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	139.6	174.4	-57.3	0	0	0	0	108.8	E24 S25 H96 F98	E24-T39 CarbonylContact C-O 3.58Å; E24-T39 WeakPolarHBondContact CA-O 3.37Å; S25-T39 PolarHBondContact N-O 2.92Å; S25-T39 PolarHBondContact O-N 2.83Å; T39-H96 HydrophobicContact CG2-CB 4.16Å; T39-F98 HydrophobicContact CG2-CD1 3.89Å; T39-F98 HydrophobicContact CG2-CE1 3.54Å; T39-F98 HydrophobicContact CG2-CZ 4.45Å; T39-F98 WeakPolarHBondContact OG1-CD1 3.49Å; T39-F98 WeakPolarHBondContact OG1-CE1 3.36Å
40	C	98.8	Very high	97.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121	166.8	-154	0	0	0	0	109.8	Q23 W55 H96 F97 C114	Q23-C40 WeakPolarHBondContact O-CA 3.26Å; C40-W55 HydrophobicContact CB-CH2 4.11Å; C40-W55 HydrophobicContact CB-CZ2 3.83Å; C40-H96 WeakPolarHBondContact O-CA 3.27Å; C40-F97 HydrophobicContact CB-CD1 3.63Å; C40-F97 HydrophobicContact CB-CD2 4.16Å; C40-F97 HydrophobicContact CB-CE1 3.32Å; C40-F97 HydrophobicContact CB-CE2 3.88Å; C40-F97 HydrophobicContact CB-CG 4.04Å; C40-F97 HydrophobicContact CB-CZ 3.46Å; C40-F97 VanDerWaalsContact CB-CZ 3.46Å; C40-F97 WeakPolarHBondContact CB-O 3.5Å; C40-F97 PolarHBondContact N-O 2.95Å; C40-F97 PolarHBondContact O-N 2.85Å; C40-F97 VanDerWaalsContact O-N 3.07Å; C40-F97 WeakPolarHBondContact SG-CE1 3.44Å; C40-F97 WeakPolarHBondContact SG-CZ 3.33Å; C40-C114 HydrophobicContact CB-CB 4.19Å; C40-C114 WeakPolarHBondContact CB-SG 3.35Å; C40-C114 WeakPolarHBondContact SG-CB 3.48Å; C40-C114 CovalentContact SG-SG 2.01Å; C40-C114 PolarHBondContact SG-SG 3.11Å
41	T	98.5	Very high	97	Very high	32 Å²	32	52.9 Å²	52.9	20%	0.196	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.4	172.2	-62.5	0	0	0	0	109	Q23 T43 H96	Q23-T41 PolarHBondContact N-O 3.27Å; Q23-T41 PolarHBondContact O-N 2.87Å; T41-T43 HydrophobicContact CG2-CG2 4.23Å; T41-H96 WeakPolarHBondContact CG2-NE2 3.4Å; T41-H96 PolarHBondContact OG1-CD2 2.97Å; T41-H96 PolarHBondContact OG1-CE1 3.41Å; T41-H96 PolarHBondContact OG1-NE2 3.03Å
42	V	98	Very high	97	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.024	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131.1	174.7	-174.2	0	0	0	0	108.7	V20 Q21 L22 Y45 I47 W53 N95 F97	V20-V42 HydrophobicContact CG1-CG1 4.13Å; Q21-V42 WeakPolarHBondContact O-CA 3.24Å; L22-V42 HydrophobicContact CD2-CB 4.27Å; L22-V42 HydrophobicContact CD2-CG1 4.06Å; L22-V42 HydrophobicContact CD2-CG2 3.68Å; V42-Y45 WeakPolarHBondContact CG1-O 3.34Å; V42-I47 HydrophobicContact CB-CG2 3.85Å; V42-I47 HydrophobicContact CG1-CG2 4.34Å; V42-I47 HydrophobicContact CG2-CG2 3.53Å; V42-W53 HydrophobicContact CG1-CH2 3.79Å; V42-W53 HydrophobicContact CG1-CZ2 4.48Å; V42-W53 HydrophobicContact CG1-CZ3 4.06Å; V42-W53 HydrophobicContact CG2-CE3 4.21Å; V42-W53 HydrophobicContact CG2-CH2 4.39Å; V42-W53 HydrophobicContact CG2-CZ3 4.09Å; V42-N95 PolarHBondContact N-O 3.22Å; V42-N95 VanDerWaalsContact N-O 3.09Å; V42-N95 PolarHBondContact O-ND2 2.86Å; V42-F97 HydrophobicContact CG2-CD1 4.02Å; V42-F97 HydrophobicContact CG2-CE1 3.86Å
43	T	96.5	Very high	97.1	Very high	53 Å²	53	44.1 Å²	44.1	33%	0.325	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	152.7	171.7	65.4	0	0	0	0	110	V20 Q21 T41 Y45	V20-T43 WeakPolarHBondContact CA-O 3.15Å; Q21-T43 WeakPolarHBondContact CB-OG1 3.35Å; Q21-T43 PolarHBondContact N-O 3.38Å; Q21-T43 PolarHBondContact O-N 2.79Å; Q21-T43 PolarHBondContact OE1-OG1 2.82Å; T41-T43 HydrophobicContact CG2-CG2 4.23Å; T43-Y45 PolarHBondContact O-N 2.85Å
44	G	94.8	Very high	97.2	Very high	40 Å²	40	41.5 Å²	41.5	41%	0.412	25%	0.251	S	S	.	.	S	Bend	trans	77.2	-6.3	-179.3	0	0	0	0	0	116.6	S18	S18-G44 WeakPolarHBondContact OG-CA 3.26Å
45	Y	94.5	Very high	97.2	Very high	64 Å²	64	36.7 Å²	36.7	25%	0.251	23%	0.229	S	C	.	.	S	Bend	trans	-151	144.2	178.2	-164.2	-93.5	0	0	0	111	V20 V42 T43 S49 Y51 W53 N95	V20-Y45 HydrophobicContact CG2-CD2 4.23Å; V20-Y45 HydrophobicContact CG2-CG 4.17Å; V42-Y45 WeakPolarHBondContact CG1-O 3.34Å; T43-Y45 PolarHBondContact O-N 2.85Å; Y45-S49 WeakPolarHBondContact OH-CB 3.42Å; Y45-S49 PolarHBondContact OH-O 2.99Å; Y45-Y51 AromaticContact CD1-CD2 3.69Å; Y45-Y51 HydrophobicContact CD1-CD2 3.69Å; Y45-Y51 HydrophobicContact CD1-CE2 4.01Å; Y45-Y51 HydrophobicContact CD2-CE2 4.08Å; Y45-Y51 AromaticContact CE1-CD2 3.2Å; Y45-Y51 HydrophobicContact CE1-CD2 3.2Å; Y45-Y51 AromaticContact CE1-CE2 3.57Å; Y45-Y51 HydrophobicContact CE1-CE2 3.57Å; Y45-Y51 HydrophobicContact CE1-CG 4.18Å; Y45-Y51 HydrophobicContact CE2-CD2 4.19Å; Y45-Y51 AromaticContact CE2-CE2 3.64Å; Y45-Y51 HydrophobicContact CE2-CE2 3.64Å; Y45-Y51 HydrophobicContact CG-CD2 4.36Å; Y45-Y51 HydrophobicContact CG-CE2 4.24Å; Y45-Y51 AromaticContact CZ-CD2 3.49Å; Y45-Y51 VanDerWaalsContact CZ-CD2 3.49Å; Y45-Y51 AromaticContact CZ-CE2 3.36Å; Y45-W53 AromaticContact CD1-CH2 3.87Å; Y45-W53 HydrophobicContact CD1-CH2 3.87Å; Y45-W53 AromaticContact CD1-CZ2 3.81Å; Y45-W53 HydrophobicContact CD1-CZ2 3.81Å; Y45-W53 HydrophobicContact CE1-CZ2 4.18Å; Y45-N95 PolarHBondContact O-ND2 3.34Å; Y45-N95 PolarHBondContact O-OD1 3.11Å
46	S	96.1	Very high	97.2	Very high	46 Å²	46	36.3 Å²	36.3	32%	0.322	22%	0.222	S	C	.	.			trans	-83.5	131.5	176	170.1	0	0	0	0	111.3	T48 S49 N95	S46-T48 PolarHBondContact O-N 2.71Å; S46-T48 PolarHBondContact OG-N 2.82Å; S46-T48 PolarHBondContact OG-OG1 2.64Å; S46-S49 WeakPolarHBondContact CB-OG 3.36Å; S46-S49 WeakPolarHBondContact O-CB 3.41Å; S46-S49 PolarHBondContact O-N 3.18Å; S46-N95 WeakPolarHBondContact CA-OD1 3.33Å
47	I	97.1	Very high	97.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.2	-179.8	62.6	174.4	0	0	0	114.1	V42 W53 Y72 H90 T92 N95 H96	V42-I47 HydrophobicContact CB-CG2 3.85Å; V42-I47 HydrophobicContact CG1-CG2 4.34Å; V42-I47 HydrophobicContact CG2-CG2 3.53Å; I47-W53 HydrophobicContact CB-CZ2 4.21Å; I47-W53 HydrophobicContact CG2-CD2 4.32Å; I47-W53 HydrophobicContact CG2-CZ2 4Å; I47-W53 PolarHBondContact O-NE1 3.34Å; I47-Y72 WeakPolarHBondContact O-CA 3.5Å; I47-H90 HydrophobicContact CD1-CB 3.79Å; I47-T92 HydrophobicContact CD1-CG2 4.23Å; I47-T92 HydrophobicContact CG1-CG2 4.39Å; I47-N95 WeakPolarHBondContact CG2-OD1 3.44Å; I47-N95 PolarHBondContact N-OD1 2.79Å; I47-H96 WeakPolarHBondContact CD1-O 2.85Å
48	T	96.5	Very high	97.2	Very high	61 Å²	61	35.4 Å²	35.4	37%	0.374	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	4.2	179.1	58.1	0	0	0	0	114	S46 T92	S46-T48 PolarHBondContact O-N 2.71Å; S46-T48 PolarHBondContact OG-N 2.82Å; S46-T48 PolarHBondContact OG-OG1 2.64Å; T48-T92 HydrophobicContact CG2-CG2 3.37Å
49	S	94.9	Very high	97.1	Very high	74 Å²	74	35.6 Å²	35.6	52%	0.517	21%	0.21	S	C	.	.	S	Bend	trans	-91.8	1.2	-170.4	-70.7	0	0	0	0	116.4	Y45 S46	Y45-S49 WeakPolarHBondContact OH-CB 3.42Å; Y45-S49 PolarHBondContact OH-O 2.99Å; S46-S49 WeakPolarHBondContact CB-OG 3.36Å; S46-S49 WeakPolarHBondContact O-CB 3.41Å; S46-S49 PolarHBondContact O-N 3.18Å
50	G	94.3	Very high	96.9	Very high	37 Å²	37	39.7 Å²	39.7	38%	0.381	24%	0.236	S	C	.	.	S	Bend	trans	138.8	-6.4	167.7	0	0	0	0	0	117.3
51	Y	95.2	Very high	96.7	Very high	81 Å²	81	43.1 Å²	43.1	32%	0.318	27%	0.272	S	S	.	.			trans	-87.6	159.7	176.3	-68	-50.3	0	0	0	113.1	Y45 W53 Y72 R116	Y45-Y51 AromaticContact CD1-CD2 3.69Å; Y45-Y51 HydrophobicContact CD1-CD2 3.69Å; Y45-Y51 HydrophobicContact CD1-CE2 4.01Å; Y45-Y51 HydrophobicContact CD2-CE2 4.08Å; Y45-Y51 AromaticContact CE1-CD2 3.2Å; Y45-Y51 HydrophobicContact CE1-CD2 3.2Å; Y45-Y51 AromaticContact CE1-CE2 3.57Å; Y45-Y51 HydrophobicContact CE1-CE2 3.57Å; Y45-Y51 HydrophobicContact CE1-CG 4.18Å; Y45-Y51 HydrophobicContact CE2-CD2 4.19Å; Y45-Y51 AromaticContact CE2-CE2 3.64Å; Y45-Y51 HydrophobicContact CE2-CE2 3.64Å; Y45-Y51 HydrophobicContact CG-CD2 4.36Å; Y45-Y51 HydrophobicContact CG-CE2 4.24Å; Y45-Y51 AromaticContact CZ-CD2 3.49Å; Y45-Y51 VanDerWaalsContact CZ-CD2 3.49Å; Y45-Y51 AromaticContact CZ-CE2 3.36Å; Y51-W53 HydrophobicContact CD2-CH2 4.04Å; Y51-W53 HydrophobicContact CD2-CZ2 4.19Å; Y51-Y72 WeakPolarHBondContact O-CB 3.2Å; Y51-Y72 PolarHBondContact O-N 3.36Å; Y51-R116 PolarHBondContact OH-NH1 3.21Å
52	D	97.8	Very high	96.3	Very high	56 Å²	56	48.3 Å²	48.3	30%	0.299	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	140.8	161.4	-65.3	-23.5	0	0	0	108.5	H54 Y69 S71 R116	D52-H54 WeakPolarHBondContact CB-NE2 3.49Å; D52-H54 PolarHBondContact O-CD2 2.87Å; D52-Y69 HydrophobicContact CB-CD2 4.06Å; D52-Y69 HydrophobicContact CB-CG 4.4Å; D52-S71 WeakPolarHBondContact OD1-CA 3.47Å; D52-S71 WeakPolarHBondContact OD1-CB 3.48Å; D52-R116 WeakPolarHBondContact O-CA 3.19Å
53	W	98.4	Very high	96.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116.1	-176.9	-56.7	99.6	0	0	0	109.6	V20 L22 V42 Y45 I47 Y51 Y69 I70 F97 R116	V20-W53 HydrophobicContact CG1-CH2 4.46Å; L22-W53 HydrophobicContact CD2-CE3 4.24Å; L22-W53 HydrophobicContact CD2-CZ3 3.79Å; V42-W53 HydrophobicContact CG1-CH2 3.79Å; V42-W53 HydrophobicContact CG1-CZ2 4.48Å; V42-W53 HydrophobicContact CG1-CZ3 4.06Å; V42-W53 HydrophobicContact CG2-CE3 4.21Å; V42-W53 HydrophobicContact CG2-CH2 4.39Å; V42-W53 HydrophobicContact CG2-CZ3 4.09Å; Y45-W53 AromaticContact CD1-CH2 3.87Å; Y45-W53 HydrophobicContact CD1-CH2 3.87Å; Y45-W53 AromaticContact CD1-CZ2 3.81Å; Y45-W53 HydrophobicContact CD1-CZ2 3.81Å; Y45-W53 HydrophobicContact CE1-CZ2 4.18Å; I47-W53 HydrophobicContact CB-CZ2 4.21Å; I47-W53 HydrophobicContact CG2-CD2 4.32Å; I47-W53 HydrophobicContact CG2-CZ2 4Å; I47-W53 PolarHBondContact O-NE1 3.34Å; Y51-W53 HydrophobicContact CD2-CH2 4.04Å; Y51-W53 HydrophobicContact CD2-CZ2 4.19Å; W53-Y69 CarbonylContact O-C 3.54Å; W53-Y69 WeakPolarHBondContact O-CA 3.27Å; W53-Y69 WeakPolarHBondContact O-CB 2.94Å; W53-I70 HydrophobicContact CB-CG2 4.12Å; W53-I70 PolarHBondContact N-O 3.45Å; W53-I70 PolarHBondContact O-N 2.89Å; W53-F97 HydrophobicContact CB-CD1 3.84Å; W53-F97 HydrophobicContact CB-CD2 3.93Å; W53-F97 HydrophobicContact CB-CE1 3.75Å; W53-F97 HydrophobicContact CB-CE2 3.85Å; W53-F97 HydrophobicContact CB-CG 3.93Å; W53-F97 HydrophobicContact CB-CZ 3.75Å; W53-F97 HydrophobicContact CD2-CD1 4.4Å; W53-F97 HydrophobicContact CD2-CE1 4.16Å; W53-F97 AromaticContact CE3-CE1 3.96Å; W53-F97 HydrophobicContact CE3-CE1 3.96Å; W53-F97 HydrophobicContact CG-CD1 4.07Å; W53-F97 HydrophobicContact CG-CE1 4.1Å; W53-F97 HydrophobicContact CG-CG 4.49Å; W53-R116 HydrophobicContact CE3-CB 3.83Å; W53-R116 HydrophobicContact CH2-CB 4.35Å; W53-R116 HydrophobicContact CZ3-CB 3.58Å; W53-R116 HydrophobicContact CZ3-CG 4.38Å
54	H	98.6	Very high	96.2	Very high	44 Å²	44	57 Å²	57	20%	0.204	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	147.2	-168.3	-64.3	-108	0	0	0	111.4	D52 W66 G68 C114 A115	D52-H54 WeakPolarHBondContact CB-NE2 3.49Å; D52-H54 PolarHBondContact O-CD2 2.87Å; H54-W66 AromaticContact ND1-CD1 3.86Å; H54-W66 AromaticContact ND1-NE1 3.23Å; H54-W66 PolarHBondContact ND1-NE1 3.01Å; H54-G68 WeakPolarHBondContact CA-O 3.41Å; H54-C114 CarbonylContact O-C 3.52Å; H54-C114 WeakPolarHBondContact O-CA 3.41Å; H54-A115 HydrophobicContact CB-CB 4.18Å; H54-A115 PolarHBondContact N-O 3.3Å; H54-A115 PolarHBondContact O-N 3.1Å
55	W	98.8	Very high	96.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.3	163.4	-76.6	97.5	0	0	0	109.9	E24 L38 C40 M67 G68 F97 L99 Y113 C114	E24-W55 HydrophobicContact CG-CH2 4.44Å; E24-W55 HydrophobicContact CG-CZ3 4.14Å; L38-W55 HydrophobicContact CB-CH2 3.57Å; L38-W55 HydrophobicContact CB-CZ2 4.15Å; L38-W55 HydrophobicContact CB-CZ3 4.01Å; L38-W55 HydrophobicContact CD1-CE3 4.47Å; L38-W55 HydrophobicContact CD1-CH2 4.32Å; L38-W55 HydrophobicContact CD1-CZ3 3.87Å; C40-W55 HydrophobicContact CB-CH2 4.11Å; C40-W55 HydrophobicContact CB-CZ2 3.83Å; W55-M67 HydrophobicContact CB-CB 4.22Å; W55-M67 WeakPolarHBondContact O-CB 3.33Å; W55-M67 PolarHBondContact O-N 2.71Å; W55-G68 PolarHBondContact N-O 3.46Å; W55-F97 AromaticContact CD1-CD2 3.93Å; W55-F97 AromaticContact CD1-CE2 3.71Å; W55-F97 HydrophobicContact CD2-CE2 4.32Å; W55-F97 AromaticContact CE2-CD2 3.97Å; W55-F97 AromaticContact CE2-CE2 3.68Å; W55-F97 HydrophobicContact CG-CE2 4.36Å; W55-F97 HydrophobicContact CZ2-CD2 4.39Å; W55-F97 HydrophobicContact CZ2-CE2 4.18Å; W55-F97 AromaticContact NE1-CD2 3.26Å; W55-F97 VanDerWaalsContact NE1-CD2 3.26Å; W55-F97 AromaticContact NE1-CE2 3.26Å; W55-F97 VanDerWaalsContact NE1-CE2 3.26Å; W55-L99 HydrophobicContact CB-CD2 4.27Å; W55-L99 HydrophobicContact CD2-CB 3.64Å; W55-L99 HydrophobicContact CD2-CD2 4.01Å; W55-L99 HydrophobicContact CD2-CG 4.39Å; W55-L99 VanDerWaalsContact CE2-CB 3.44Å; W55-L99 HydrophobicContact CE3-CB 4.29Å; W55-L99 HydrophobicContact CE3-CD2 4.11Å; W55-L99 HydrophobicContact CG-CB 3.84Å; W55-L99 HydrophobicContact CG-CD1 4.41Å; W55-L99 HydrophobicContact CG-CD2 4.1Å; W55-L99 HydrophobicContact CG-CG 4.35Å; W55-L99 HydrophobicContact CZ2-CB 3.94Å; W55-Y113 WeakPolarHBondContact CA-O 2.97Å; W55-C114 VanDerWaalsContact CH2-SG 3.58Å
56	I	98.5	Very high	96.6	Very high	48 Å²	48	57.8 Å²	57.8	25%	0.246	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.8	177.7	-57.5	170.3	0	0	0	107.3	L64 E65 Y113 A115	I56-L64 HydrophobicContact CG2-CD2 4.18Å; I56-E65 WeakPolarHBondContact CA-O 3.41Å; I56-Y113 PolarHBondContact N-O 3.36Å; I56-Y113 PolarHBondContact O-N 3Å; I56-A115 HydrophobicContact CD1-CB 4.03Å
57	R	98	Very high	96.7	Very high	13 Å²	13	55.6 Å²	55.6	5%	0.049	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	142.1	170.8	65.4	-178.1	177.8	169	10.6	111.2	F59 E65 M67 D108 A110 T111 Y112	R57-F59 HydrophobicContact CG-CE2 3.88Å; R57-F59 HydrophobicContact CG-CZ 3.91Å; R57-F59 VanDerWaalsContact CZ-CZ 3.44Å; R57-E65 HydrophobicContact CG-CB 4.04Å; R57-E65 IonicContact CZ-OE2 3.71Å; R57-E65 PolarHBondContact N-O 3.48Å; R57-E65 IonicContact NE-OE2 2.71Å; R57-E65 PolarHBondContact NE-OE2 2.76Å; R57-E65 IonicContact NH2-OE2 2.66Å; R57-E65 PolarHBondContact NH2-OE2 2.79Å; R57-E65 PolarHBondContact O-N 3.23Å; R57-M67 HydrophobicContact CB-CG 4.43Å; R57-M67 HydrophobicContact CB-SD 3.92Å; R57-M67 HydrophobicContact CG-CG 4.01Å; R57-M67 HydrophobicContact CG-SD 3.95Å; R57-D108 IonicContact CZ-OD1 3.08Å; R57-D108 IonicContact NH1-OD1 2.71Å; R57-D108 PolarHBondContact NH1-OD1 3.06Å; R57-D108 IonicContact NH2-OD1 2.79Å; R57-A110 HydrophobicContact CB-CB 3.88Å; R57-A110 HydrophobicContact CG-CB 4.45Å; R57-T111 CarbonylContact C-O 3.59Å; R57-T111 WeakPolarHBondContact CA-O 3.45Å; R57-Y112 HydrophobicContact CB-CD1 3.89Å; R57-Y112 HydrophobicContact CB-CE1 3.86Å; R57-Y112 HydrophobicContact CB-CG 4.39Å
58	H	98	Very high	96.8	Very high	44 Å²	44	55.6 Å²	55.6	20%	0.204	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.5	-177.8	179.1	-144.5	0	0	0	109.4	N62 L64 A110 T111 Y113	H58-N62 WeakPolarHBondContact NE2-CA 3.3Å; H58-L64 HydrophobicContact CB-CD2 3.68Å; H58-A110 WeakPolarHBondContact O-CA 3.43Å; H58-A110 WeakPolarHBondContact O-CB 3.46Å; H58-T111 PolarHBondContact N-O 2.96Å; H58-T111 PolarHBondContact O-N 3Å; H58-Y113 HydrophobicContact CB-CD2 4.02Å; H58-Y113 HydrophobicContact CB-CE2 3.55Å
59	F	97.6	Very high	96.9	Very high	20 Å²	20	55.1 Å²	55.1	9%	0.088	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	154.8	-179.3	-62.2	-79.4	0	0	0	111.8	R57 G61 N62 K63 E65 E107 T109 A110	R57-F59 HydrophobicContact CG-CE2 3.88Å; R57-F59 HydrophobicContact CG-CZ 3.91Å; R57-F59 VanDerWaalsContact CZ-CZ 3.44Å; F59-G61 PolarHBondContact O-N 2.58Å; F59-N62 PolarHBondContact O-N 2.9Å; F59-K63 HydrophobicContact CB-CB 4.29Å; F59-K63 HydrophobicContact CD2-CB 4.25Å; F59-K63 HydrophobicContact CD2-CD 4.4Å; F59-K63 HydrophobicContact CD2-CG 4.39Å; F59-K63 WeakPolarHBondContact CD2-O 3.37Å; F59-K63 VanDerWaalsContact CE2-CE 3.43Å; F59-K63 PolarHBondContact N-O 3.42Å; F59-E65 HydrophobicContact CE2-CB 3.88Å; F59-E65 WeakPolarHBondContact CE2-OE2 3.4Å; F59-E107 WeakPolarHBondContact CE1-O 3.41Å; F59-T109 WeakPolarHBondContact CD1-O 3.36Å; F59-A110 HydrophobicContact CD1-CB 3.78Å; F59-A110 HydrophobicContact CE1-CB 3.88Å; F59-A110 HydrophobicContact CG-CB 4.38Å
60	P	94.9	Very high	97	Very high	116 Å²	116	51.9 Å²	51.9	75%	0.753	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	133.9	161.5	-24.5	34.3	0	0	0	110.6
61	G	94.5	Very high	97.2	Very high	73 Å²	73	50.3 Å²	50.3	75%	0.753	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	15.8	-174.6	0	0	0	0	0	115.3	F59 K63	F59-G61 PolarHBondContact O-N 2.58Å; G61-K63 VanDerWaalsContact C-N 3.3Å; G61-K63 PolarHBondContact O-N 2.79Å
62	N	89.5	Confident	97.2	Very high	140 Å²	140	52 Å²	52	75%	0.749	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	23.5	173.4	-58.1	-45.1	0	0	0	115.5	H58 F59	H58-N62 WeakPolarHBondContact NE2-CA 3.3Å; F59-N62 PolarHBondContact O-N 2.9Å
63	K	95.5	Very high	97.2	Very high	122 Å²	122	53.2 Å²	53.2	53%	0.53	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	120.8	171.9	-169.9	-175.3	75.6	175.7	0	109.4	F59 G61	F59-K63 HydrophobicContact CB-CB 4.29Å; F59-K63 HydrophobicContact CD2-CB 4.25Å; F59-K63 HydrophobicContact CD2-CD 4.4Å; F59-K63 HydrophobicContact CD2-CG 4.39Å; F59-K63 WeakPolarHBondContact CD2-O 3.37Å; F59-K63 VanDerWaalsContact CE2-CE 3.43Å; F59-K63 PolarHBondContact N-O 3.42Å; G61-K63 VanDerWaalsContact C-N 3.3Å; G61-K63 PolarHBondContact O-N 2.79Å
64	L	97.3	Very high	97.1	Very high	117 Å²	117	54.7 Å²	54.7	61%	0.613	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	140	169.9	-66.8	170.6	0	0	0	110	I56 H58	I56-L64 HydrophobicContact CG2-CD2 4.18Å; H58-L64 HydrophobicContact CB-CD2 3.68Å
65	E	98.2	Very high	97.1	Very high	38 Å²	38	55.4 Å²	55.4	18%	0.178	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	118	172.3	-177.4	174.2	-143.6	0	0	109.7	I56 R57 F59 N79	I56-E65 WeakPolarHBondContact CA-O 3.41Å; R57-E65 HydrophobicContact CG-CB 4.04Å; R57-E65 IonicContact CZ-OE2 3.71Å; R57-E65 PolarHBondContact N-O 3.48Å; R57-E65 IonicContact NE-OE2 2.71Å; R57-E65 PolarHBondContact NE-OE2 2.76Å; R57-E65 IonicContact NH2-OE2 2.66Å; R57-E65 PolarHBondContact NH2-OE2 2.79Å; R57-E65 PolarHBondContact O-N 3.23Å; F59-E65 HydrophobicContact CE2-CB 3.88Å; F59-E65 WeakPolarHBondContact CE2-OE2 3.4Å; E65-N79 PolarHBondContact OE1-ND2 3.09Å
66	W	98.5	Very high	97	Very high	84 Å²	84	58.1 Å²	58.1	32%	0.318	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	132	168.1	174.8	72.7	0	0	0	109.3	H54 G68 Y69 N77 Y78 N79	H54-W66 AromaticContact ND1-CD1 3.86Å; H54-W66 AromaticContact ND1-NE1 3.23Å; H54-W66 PolarHBondContact ND1-NE1 3.01Å; W66-G68 VanDerWaalsContact CE2-CA 3.45Å; W66-G68 PolarHBondContact NE1-O 3.41Å; W66-Y69 HydrophobicContact CH2-CD1 4.46Å; W66-Y69 AromaticContact CZ2-CD1 3.69Å; W66-Y69 HydrophobicContact CZ2-CD1 3.69Å; W66-Y69 HydrophobicContact CZ2-CG 4.48Å; W66-N77 HydrophobicContact CH2-CB 4.39Å; W66-Y78 VanDerWaalsContact CZ3-C 3.48Å; W66-N79 HydrophobicContact CE3-CB 3.98Å; W66-N79 HydrophobicContact CZ3-CB 4.1Å; W66-N79 VanDerWaalsContact CZ3-N 3.28Å; W66-N79 VanDerWaalsContact O-CB 3.26Å; W66-N79 WeakPolarHBondContact O-CB 3.35Å; W66-N79 PolarHBondContact O-ND2 2.66Å
67	M	98.5	Very high	97	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-44.9	-178	-59.3	-175.8	70.1	0	0	111.7	W55 R57 N79 L82 I86 L99 L101 Y112	W55-M67 HydrophobicContact CB-CB 4.22Å; W55-M67 WeakPolarHBondContact O-CB 3.33Å; W55-M67 PolarHBondContact O-N 2.71Å; R57-M67 HydrophobicContact CB-CG 4.43Å; R57-M67 HydrophobicContact CB-SD 3.92Å; R57-M67 HydrophobicContact CG-CG 4.01Å; R57-M67 HydrophobicContact CG-SD 3.95Å; M67-N79 WeakPolarHBondContact O-CB 3.43Å; M67-N79 PolarHBondContact O-N 3.3Å; M67-L82 HydrophobicContact CB-CD1 4.18Å; M67-L82 HydrophobicContact CE-CD1 4.14Å; M67-L82 HydrophobicContact CG-CD1 3.99Å; M67-I86 HydrophobicContact CB-CD1 4.35Å; M67-I86 HydrophobicContact CE-CG2 3.95Å; M67-I86 WeakPolarHBondContact O-CD1 3.44Å; M67-L99 HydrophobicContact CE-CD1 4.14Å; M67-L99 HydrophobicContact CE-CD2 3.69Å; M67-L99 HydrophobicContact CE-CG 4.47Å; M67-L99 HydrophobicContact SD-CD2 3.69Å; M67-L101 HydrophobicContact CE-CD2 4.45Å; M67-Y112 HydrophobicContact CE-CE1 3.87Å; M67-Y112 HydrophobicContact SD-CD1 3.71Å; M67-Y112 HydrophobicContact SD-CE1 3.54Å; M67-Y112 VanDerWaalsContact SD-CE1 3.54Å
68	G	98.6	Very high	97.1	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.7	175.3	-174	0	0	0	0	0	111.9	H54 W55 W66 N77	H54-G68 WeakPolarHBondContact CA-O 3.41Å; W55-G68 PolarHBondContact N-O 3.46Å; W66-G68 VanDerWaalsContact CE2-CA 3.45Å; W66-G68 PolarHBondContact NE1-O 3.41Å; G68-N77 CarbonylContact C-O 3.57Å; G68-N77 WeakPolarHBondContact CA-O 3.33Å
69	Y	98.7	Very high	97.1	Very high	51 Å²	51	60 Å²	60	20%	0.2	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	162.2	168.8	76.2	-106	0	0	0	111.6	D52 W53 W66 T76 N77	D52-Y69 HydrophobicContact CB-CD2 4.06Å; D52-Y69 HydrophobicContact CB-CG 4.4Å; W53-Y69 CarbonylContact O-C 3.54Å; W53-Y69 WeakPolarHBondContact O-CA 3.27Å; W53-Y69 WeakPolarHBondContact O-CB 2.94Å; W66-Y69 HydrophobicContact CH2-CD1 4.46Å; W66-Y69 AromaticContact CZ2-CD1 3.69Å; W66-Y69 HydrophobicContact CZ2-CD1 3.69Å; W66-Y69 HydrophobicContact CZ2-CG 4.48Å; Y69-T76 WeakPolarHBondContact O-CA 3.43Å; Y69-N77 HydrophobicContact CD1-CB 4Å; Y69-N77 HydrophobicContact CE1-CB 3.42Å; Y69-N77 VanDerWaalsContact CE1-CB 3.42Å; Y69-N77 HydrophobicContact CE2-CB 4.48Å; Y69-N77 PolarHBondContact N-O 3.25Å; Y69-N77 PolarHBondContact O-N 2.89Å
70	I	98.7	Very high	97.1	Very high	5 Å²	5	64.4 Å²	64.4	3%	0.026	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.4	161.1	-173.2	164.1	0	0	0	109.5	W53 S75 T76 I88 H90 F97	W53-I70 HydrophobicContact CB-CG2 4.12Å; W53-I70 PolarHBondContact N-O 3.45Å; W53-I70 PolarHBondContact O-N 2.89Å; I70-S75 CarbonylContact C-O 3.53Å; I70-S75 WeakPolarHBondContact CA-O 3.41Å; I70-T76 HydrophobicContact CB-CG2 4.06Å; I70-T76 HydrophobicContact CD1-CG2 4.06Å; I70-T76 HydrophobicContact CG1-CG2 3.9Å; I70-I88 HydrophobicContact CB-CG2 3.7Å; I70-I88 HydrophobicContact CG2-CG2 3.57Å; I70-H90 HydrophobicContact CD1-CB 4.17Å; I70-H90 VanDerWaalsContact CD1-ND1 3.34Å; I70-H90 WeakPolarHBondContact CD1-ND1 3.45Å; I70-F97 HydrophobicContact CG2-CB 4.18Å; I70-F97 HydrophobicContact CG2-CD2 4.47Å
71	S	97.9	Very high	97.2	Very high	4 Å²	4	63.4 Å²	63.4	3%	0.028	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	163.2	178.2	69.7	0	0	0	0	111.5	D52 S73 G74 S75	D52-S71 WeakPolarHBondContact OD1-CA 3.47Å; D52-S71 WeakPolarHBondContact OD1-CB 3.48Å; S71-S73 PolarHBondContact O-N 2.97Å; S71-S73 VanDerWaalsContact O-N 3.11Å; S71-S73 PolarHBondContact OG-N 2.9Å; S71-S73 PolarHBondContact OG-OG 2.83Å; S71-G74 WeakPolarHBondContact O-CA 3.44Å; S71-G74 PolarHBondContact O-N 2.91Å; S71-G74 PolarHBondContact OG-N 2.78Å; S71-S75 WeakPolarHBondContact CB-OG 3.35Å; S71-S75 PolarHBondContact N-O 2.98Å; S71-S75 WeakPolarHBondContact OG-CB 2.81Å; S71-S75 PolarHBondContact OG-N 2.87Å; S71-S75 PolarHBondContact OG-O 2.75Å; S71-S75 PolarHBondContact OG-OG 2.76Å
72	Y	95.9	Very high	97.3	Very high	116 Å²	116	60 Å²	60	46%	0.455	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-29.3	170.6	73.6	-88.4	0	0	0	113.2	I47 Y51 G74	I47-Y72 WeakPolarHBondContact O-CA 3.5Å; Y51-Y72 WeakPolarHBondContact O-CB 3.2Å; Y51-Y72 PolarHBondContact O-N 3.36Å; Y72-G74 VanDerWaalsContact C-N 3.35Å
73	S	96.2	Very high	97.7	Very high	82 Å²	82	60 Å²	60	57%	0.573	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-3.6	176.6	60	0	0	0	0	114.2	S71	S71-S73 PolarHBondContact O-N 2.97Å; S71-S73 VanDerWaalsContact O-N 3.11Å; S71-S73 PolarHBondContact OG-N 2.9Å; S71-S73 PolarHBondContact OG-OG 2.83Å
74	G	96.9	Very high	97.7	Very high	32 Å²	32	59.6 Å²	59.6	33%	0.33	33%	0.333	S	S	.	.	S	Bend	trans	88.8	3.2	178.9	0	0	0	0	0	115.3	S71 Y72	S71-G74 WeakPolarHBondContact O-CA 3.44Å; S71-G74 PolarHBondContact O-N 2.91Å; S71-G74 PolarHBondContact OG-N 2.78Å; Y72-G74 VanDerWaalsContact C-N 3.35Å
75	S	97.9	Very high	97.8	Very high	58 Å²	58	56.6 Å²	56.6	41%	0.406	31%	0.314	S	S	.	.			trans	-71	140.8	173.3	73.9	0	0	0	0	110.7	I70 S71	I70-S75 CarbonylContact C-O 3.53Å; I70-S75 WeakPolarHBondContact CA-O 3.41Å; S71-S75 WeakPolarHBondContact CB-OG 3.35Å; S71-S75 PolarHBondContact N-O 2.98Å; S71-S75 WeakPolarHBondContact OG-CB 2.81Å; S71-S75 PolarHBondContact OG-N 2.87Å; S71-S75 PolarHBondContact OG-O 2.75Å; S71-S75 PolarHBondContact OG-OG 2.76Å
76	T	98.6	Very high	97.8	Very high	57 Å²	57	55.2 Å²	55.2	35%	0.35	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143.1	-177.1	56.5	0	0	0	0	111.6	Y69 I70 Y78	Y69-T76 WeakPolarHBondContact O-CA 3.43Å; I70-T76 HydrophobicContact CB-CG2 4.06Å; I70-T76 HydrophobicContact CD1-CG2 4.06Å; I70-T76 HydrophobicContact CG1-CG2 3.9Å; T76-Y78 WeakPolarHBondContact CB-OH 3.5Å; T76-Y78 PolarHBondContact OG1-OH 3.32Å
77	N	98.4	Very high	97.8	Very high	80 Å²	80	53.4 Å²	53.4	43%	0.428	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.6	164.9	-158.6	-1.7	0	0	0	110.2	W66 G68 Y69	W66-N77 HydrophobicContact CH2-CB 4.39Å; G68-N77 CarbonylContact C-O 3.57Å; G68-N77 WeakPolarHBondContact CA-O 3.33Å; Y69-N77 HydrophobicContact CD1-CB 4Å; Y69-N77 HydrophobicContact CE1-CB 3.42Å; Y69-N77 VanDerWaalsContact CE1-CB 3.42Å; Y69-N77 HydrophobicContact CE2-CB 4.48Å; Y69-N77 PolarHBondContact N-O 3.25Å; Y69-N77 PolarHBondContact O-N 2.89Å
78	Y	98.6	Very high	97.8	Very high	41 Å²	41	53.6 Å²	53.6	16%	0.161	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149.9	-170.3	-57.4	-53.3	0	0	0	110.4	W66 T76 P80 K83 I86 I88	W66-Y78 VanDerWaalsContact CZ3-C 3.48Å; T76-Y78 WeakPolarHBondContact CB-OH 3.5Å; T76-Y78 PolarHBondContact OG1-OH 3.32Å; Y78-P80 WeakPolarHBondContact O-CD 3.42Å; Y78-K83 HydrophobicContact CD2-CG 4.17Å; Y78-I86 HydrophobicContact CD1-CD1 3.51Å; Y78-I86 HydrophobicContact CD1-CG1 3.72Å; Y78-I86 HydrophobicContact CE1-CD1 4.4Å; Y78-I86 HydrophobicContact CE1-CG1 4.32Å; Y78-I86 HydrophobicContact CG-CD1 3.97Å; Y78-I86 HydrophobicContact CG-CG1 4.03Å; Y78-I88 HydrophobicContact CD1-CD1 4.29Å; Y78-I88 HydrophobicContact CE1-CB 4.17Å; Y78-I88 HydrophobicContact CE1-CD1 4.12Å; Y78-I88 HydrophobicContact CE1-CG1 4.03Å
79	N	98.2	Very high	97.8	Very high	24 Å²	24	56.9 Å²	56.9	13%	0.128	33%	0.329	C	S	.	.			trans	-59.1	124.1	164.7	-179	-30.2	0	0	0	108.6	E65 W66 M67 S81 L82 K83	E65-N79 PolarHBondContact OE1-ND2 3.09Å; W66-N79 HydrophobicContact CE3-CB 3.98Å; W66-N79 HydrophobicContact CZ3-CB 4.1Å; W66-N79 VanDerWaalsContact CZ3-N 3.28Å; W66-N79 VanDerWaalsContact O-CB 3.26Å; W66-N79 WeakPolarHBondContact O-CB 3.35Å; W66-N79 PolarHBondContact O-ND2 2.66Å; M67-N79 WeakPolarHBondContact O-CB 3.43Å; M67-N79 PolarHBondContact O-N 3.3Å; N79-S81 PolarHBondContact O-N 3.28Å; N79-S81 VanDerWaalsContact O-N 3.12Å; N79-S81 WeakPolarHBondContact OD1-CB 3.34Å; N79-S81 PolarHBondContact OD1-N 3.12Å; N79-L82 HydrophobicContact CB-CB 4.38Å; N79-L82 HydrophobicContact CB-CD1 4.34Å; N79-L82 HydrophobicContact CB-CG 4.47Å; N79-L82 PolarHBondContact O-N 2.82Å; N79-K83 PolarHBondContact O-N 3.02Å
80	P	98	Very high	97.7	Very high	113 Å²	113	57.3 Å²	57.3	73%	0.734	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-36.9	-178	-29.5	36.1	0	0	0	113.9	Y78 L82 K83	Y78-P80 WeakPolarHBondContact O-CD 3.42Å; P80-L82 PolarHBondContact O-N 2.9Å; P80-K83 PolarHBondContact O-N 3.47Å
81	S	96.4	Very high	97.7	Very high	94 Å²	94	58.8 Å²	58.8	66%	0.657	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.1	179.4	-56.5	0	0	0	0	113.7	N79	N79-S81 PolarHBondContact O-N 3.28Å; N79-S81 VanDerWaalsContact O-N 3.12Å; N79-S81 WeakPolarHBondContact OD1-CB 3.34Å; N79-S81 PolarHBondContact OD1-N 3.12Å
82	L	97.4	Very high	97.6	Very high	3 Å²	3	62.3 Å²	62.3	2%	0.016	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-9.5	-177	-63	177.2	0	0	0	113.3	M67 N79 P80 S84 R85 I86	M67-L82 HydrophobicContact CB-CD1 4.18Å; M67-L82 HydrophobicContact CE-CD1 4.14Å; M67-L82 HydrophobicContact CG-CD1 3.99Å; N79-L82 HydrophobicContact CB-CB 4.38Å; N79-L82 HydrophobicContact CB-CD1 4.34Å; N79-L82 HydrophobicContact CB-CG 4.47Å; N79-L82 PolarHBondContact O-N 2.82Å; P80-L82 PolarHBondContact O-N 2.9Å; L82-S84 PolarHBondContact O-N 3.22Å; L82-R85 PolarHBondContact O-N 3.32Å; L82-I86 HydrophobicContact CB-CD1 4Å; L82-I86 HydrophobicContact CB-CG1 4.25Å; L82-I86 HydrophobicContact CB-CG2 3.96Å; L82-I86 WeakPolarHBondContact O-CG1 3.11Å; L82-I86 PolarHBondContact O-N 3.07Å
83	K	96.8	Very high	97.6	Very high	139 Å²	139	61.7 Å²	61.7	60%	0.604	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-31	-170.5	-174.4	171.3	-177.2	177.1	0	114.5	Y78 N79 P80	Y78-K83 HydrophobicContact CD2-CG 4.17Å; N79-K83 PolarHBondContact O-N 3.02Å; P80-K83 PolarHBondContact O-N 3.47Å
84	S	97.5	Very high	97.7	Very high	113 Å²	113	63.8 Å²	63.8	79%	0.79	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-15.7	178.4	58.8	0	0	0	0	114.3	L82	L82-S84 PolarHBondContact O-N 3.22Å
85	R	97.8	Very high	97.7	Very high	54 Å²	54	63.7 Å²	63.7	20%	0.204	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-23.8	-172.5	-56.7	-165.5	-61.9	141.8	1.4	113.5	L82 L101 N102 S103 D108	L82-R85 PolarHBondContact O-N 3.32Å; R85-L101 HydrophobicContact CB-CD1 3.83Å; R85-N102 PolarHBondContact O-N 3.34Å; R85-N102 PolarHBondContact O-ND2 3.21Å; R85-N102 VanDerWaalsContact O-ND2 3.12Å; R85-S103 PolarHBondContact NH1-O 3.38Å; R85-D108 IonicContact CZ-OD1 3.56Å; R85-D108 IonicContact CZ-OD2 3.72Å; R85-D108 IonicContact NH1-OD1 3.38Å; R85-D108 PolarHBondContact NH1-OD1 3.1Å; R85-D108 IonicContact NH1-OD2 2.79Å; R85-D108 PolarHBondContact NH1-OD2 3.04Å; R85-D108 IonicContact NH2-OD1 2.82Å; R85-D108 PolarHBondContact NH2-OD1 2.84Å; R85-D108 IonicContact NH2-OD2 3.7Å
86	I	98.1	Very high	97.7	Very high	10 Å²	10	62.8 Å²	62.8	5%	0.051	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	150.1	-174.9	69.6	174.5	0	0	0	113.4	M67 Y78 L82 L99 K100 L101	M67-I86 HydrophobicContact CB-CD1 4.35Å; M67-I86 HydrophobicContact CE-CG2 3.95Å; M67-I86 WeakPolarHBondContact O-CD1 3.44Å; Y78-I86 HydrophobicContact CD1-CD1 3.51Å; Y78-I86 HydrophobicContact CD1-CG1 3.72Å; Y78-I86 HydrophobicContact CE1-CD1 4.4Å; Y78-I86 HydrophobicContact CE1-CG1 4.32Å; Y78-I86 HydrophobicContact CG-CD1 3.97Å; Y78-I86 HydrophobicContact CG-CG1 4.03Å; L82-I86 HydrophobicContact CB-CD1 4Å; L82-I86 HydrophobicContact CB-CG1 4.25Å; L82-I86 HydrophobicContact CB-CG2 3.96Å; L82-I86 WeakPolarHBondContact O-CG1 3.11Å; L82-I86 PolarHBondContact O-N 3.07Å; I86-L99 HydrophobicContact CB-CD1 4.28Å; I86-L99 HydrophobicContact CG2-CD1 4.41Å; I86-K100 CarbonylContact C-O 3.55Å; I86-K100 VanDerWaalsContact CA-O 3.26Å; I86-K100 WeakPolarHBondContact CA-O 3.42Å; I86-L101 HydrophobicContact CG2-CB 4.45Å; I86-L101 HydrophobicContact CG2-CD1 3.49Å; I86-L101 VanDerWaalsContact CG2-CD1 3.49Å
87	S	98.4	Very high	97.7	Very high	46 Å²	46	60 Å²	60	32%	0.322	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	135.9	166.9	179	0	0	0	0	108.8	K100	S87-K100 PolarHBondContact N-O 2.73Å; S87-K100 PolarHBondContact O-N 3.48Å
88	I	98.7	Very high	97.8	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.015	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.8	176	-59.7	170.2	0	0	0	107.5	I70 Y78 F98 L99	I70-I88 HydrophobicContact CB-CG2 3.7Å; I70-I88 HydrophobicContact CG2-CG2 3.57Å; Y78-I88 HydrophobicContact CD1-CD1 4.29Å; Y78-I88 HydrophobicContact CE1-CB 4.17Å; Y78-I88 HydrophobicContact CE1-CD1 4.12Å; Y78-I88 HydrophobicContact CE1-CG1 4.03Å; I88-F98 VanDerWaalsContact CA-O 3.27Å; I88-F98 WeakPolarHBondContact CA-O 3.4Å; I88-F98 WeakPolarHBondContact CG2-O 3.49Å; I88-L99 HydrophobicContact CG1-CD1 3.97Å
89	T	98.3	Very high	97.8	Very high	70 Å²	70	57 Å²	57	43%	0.429	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	169.1	-179.4	62	0	0	0	0	110	F97 F98	T89-F97 CarbonylContact O-C 3.49Å; T89-F97 VanDerWaalsContact O-CA 3.32Å; T89-F97 WeakPolarHBondContact O-CA 3.37Å; T89-F97 WeakPolarHBondContact O-CB 3.49Å; T89-F98 PolarHBondContact N-O 2.99Å; T89-F98 PolarHBondContact O-N 3.23Å
90	H	97.5	Very high	97.8	Very high	59 Å²	59	60.3 Å²	60.3	27%	0.273	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	158.3	173.5	59.7	-146.6	0	0	0	113.2	I47 I70 H96 F97	I47-H90 HydrophobicContact CD1-CB 3.79Å; I70-H90 HydrophobicContact CD1-CB 4.17Å; I70-H90 VanDerWaalsContact CD1-ND1 3.34Å; I70-H90 WeakPolarHBondContact CD1-ND1 3.45Å; H90-H96 CarbonylContact C-O 3.53Å; H90-H96 WeakPolarHBondContact CA-O 3.26Å; H90-H96 WeakPolarHBondContact CB-O 3.43Å; H90-F97 HydrophobicContact CB-CB 4.03Å
91	D	97.5	Very high	97.8	Very high	37 Å²	37	55 Å²	55	20%	0.198	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	97.6	168.2	-179.9	-10.8	0	0	0	107.3	S93 K94 N95 H96 F98	D91-S93 PolarHBondContact O-N 2.01Å; D91-S93 WeakPolarHBondContact OD1-CB 3.48Å; D91-S93 PolarHBondContact OD1-N 3.42Å; D91-S93 VanDerWaalsContact OD1-N 3.09Å; D91-S93 PolarHBondContact OD1-OG 2.94Å; D91-K94 PolarHBondContact O-N 2.9Å; D91-K94 PolarHBondContact OD1-N 3.09Å; D91-K94 VanDerWaalsContact OD2-CD 3.3Å; D91-K94 WeakPolarHBondContact OD2-CD 3.32Å; D91-K94 WeakPolarHBondContact OD2-CE 3.42Å; D91-K94 IonicContact OD2-NZ 3.83Å; D91-K94 PolarHBondContact OD2-NZ 3.27Å; D91-N95 PolarHBondContact O-N 2.89Å; D91-H96 PolarHBondContact N-O 3.05Å; D91-H96 PolarHBondContact O-N 2.87Å; D91-H96 VanDerWaalsContact O-N 3.1Å; D91-F98 HydrophobicContact CB-CE2 3.66Å; D91-F98 HydrophobicContact CB-CZ 4.04Å
92	T	96.2	Very high	97.9	Very high	78 Å²	78	53 Å²	53	48%	0.479	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-24.2	-176	59.2	0	0	0	0	112.5	I47 T48 K94	I47-T92 HydrophobicContact CD1-CG2 4.23Å; I47-T92 HydrophobicContact CG1-CG2 4.39Å; T48-T92 HydrophobicContact CG2-CG2 3.37Å; T92-K94 VanDerWaalsContact C-N 3.3Å; T92-K94 PolarHBondContact O-N 2.98Å
93	S	96.7	Very high	97.9	Very high	103 Å²	103	56.2 Å²	56.2	72%	0.72	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-27.9	177.4	76.2	0	0	0	0	112.6	D91	D91-S93 PolarHBondContact O-N 2.01Å; D91-S93 WeakPolarHBondContact OD1-CB 3.48Å; D91-S93 PolarHBondContact OD1-N 3.42Å; D91-S93 VanDerWaalsContact OD1-N 3.09Å; D91-S93 PolarHBondContact OD1-OG 2.94Å
94	K	97.6	Very high	98	Very high	125 Å²	125	50.1 Å²	50.1	54%	0.543	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-3.8	178.7	-63.3	-176.7	-167.1	123.7	0	113.5	D91 T92 H96	D91-K94 PolarHBondContact O-N 2.9Å; D91-K94 PolarHBondContact OD1-N 3.09Å; D91-K94 VanDerWaalsContact OD2-CD 3.3Å; D91-K94 WeakPolarHBondContact OD2-CD 3.32Å; D91-K94 WeakPolarHBondContact OD2-CE 3.42Å; D91-K94 IonicContact OD2-NZ 3.83Å; D91-K94 PolarHBondContact OD2-NZ 3.27Å; T92-K94 VanDerWaalsContact C-N 3.3Å; T92-K94 PolarHBondContact O-N 2.98Å; K94-H96 VanDerWaalsContact C-N 3.26Å; K94-H96 HydrophobicContact CB-CB 4.4Å; K94-H96 PolarHBondContact O-CD2 3.22Å; K94-H96 PolarHBondContact O-N 3.42Å; K94-H96 PolarHBondContact O-NE2 2.87Å
95	N	97.5	Very high	98	Very high	30 Å²	30	47.7 Å²	47.7	16%	0.16	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	39.4	-174.2	-150.6	40.6	0	0	0	112.8	V42 Y45 S46 I47 D91	V42-N95 PolarHBondContact N-O 3.22Å; V42-N95 VanDerWaalsContact N-O 3.09Å; V42-N95 PolarHBondContact O-ND2 2.86Å; Y45-N95 PolarHBondContact O-ND2 3.34Å; Y45-N95 PolarHBondContact O-OD1 3.11Å; S46-N95 WeakPolarHBondContact CA-OD1 3.33Å; I47-N95 WeakPolarHBondContact CG2-OD1 3.44Å; I47-N95 PolarHBondContact N-OD1 2.79Å; D91-N95 PolarHBondContact O-N 2.89Å
96	H	98.5	Very high	97.9	Very high	39 Å²	39	50.6 Å²	50.6	18%	0.181	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	149	-178.2	-67.8	-177.4	0	0	0	111.6	T39 C40 T41 I47 H90 D91 K94 F98	T39-H96 HydrophobicContact CG2-CB 4.16Å; C40-H96 WeakPolarHBondContact O-CA 3.27Å; T41-H96 WeakPolarHBondContact CG2-NE2 3.4Å; T41-H96 PolarHBondContact OG1-CD2 2.97Å; T41-H96 PolarHBondContact OG1-CE1 3.41Å; T41-H96 PolarHBondContact OG1-NE2 3.03Å; I47-H96 WeakPolarHBondContact CD1-O 2.85Å; H90-H96 CarbonylContact C-O 3.53Å; H90-H96 WeakPolarHBondContact CA-O 3.26Å; H90-H96 WeakPolarHBondContact CB-O 3.43Å; D91-H96 PolarHBondContact N-O 3.05Å; D91-H96 PolarHBondContact O-N 2.87Å; D91-H96 VanDerWaalsContact O-N 3.1Å; K94-H96 VanDerWaalsContact C-N 3.26Å; K94-H96 HydrophobicContact CB-CB 4.4Å; K94-H96 PolarHBondContact O-CD2 3.22Å; K94-H96 PolarHBondContact O-N 3.42Å; K94-H96 PolarHBondContact O-NE2 2.87Å; H96-F98 HydrophobicContact CB-CE1 4.19Å; H96-F98 HydrophobicContact CB-CE2 4.06Å; H96-F98 HydrophobicContact CB-CZ 3.65Å
97	F	98.5	Very high	97.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.9	161.7	69.9	-81.6	0	0	0	110.9	C40 V42 W53 W55 I70 T89 H90 C114	C40-F97 HydrophobicContact CB-CD1 3.63Å; C40-F97 HydrophobicContact CB-CD2 4.16Å; C40-F97 HydrophobicContact CB-CE1 3.32Å; C40-F97 HydrophobicContact CB-CE2 3.88Å; C40-F97 HydrophobicContact CB-CG 4.04Å; C40-F97 HydrophobicContact CB-CZ 3.46Å; C40-F97 VanDerWaalsContact CB-CZ 3.46Å; C40-F97 WeakPolarHBondContact CB-O 3.5Å; C40-F97 PolarHBondContact N-O 2.95Å; C40-F97 PolarHBondContact O-N 2.85Å; C40-F97 VanDerWaalsContact O-N 3.07Å; C40-F97 WeakPolarHBondContact SG-CE1 3.44Å; C40-F97 WeakPolarHBondContact SG-CZ 3.33Å; V42-F97 HydrophobicContact CG2-CD1 4.02Å; V42-F97 HydrophobicContact CG2-CE1 3.86Å; W53-F97 HydrophobicContact CB-CD1 3.84Å; W53-F97 HydrophobicContact CB-CD2 3.93Å; W53-F97 HydrophobicContact CB-CE1 3.75Å; W53-F97 HydrophobicContact CB-CE2 3.85Å; W53-F97 HydrophobicContact CB-CG 3.93Å; W53-F97 HydrophobicContact CB-CZ 3.75Å; W53-F97 HydrophobicContact CD2-CD1 4.4Å; W53-F97 HydrophobicContact CD2-CE1 4.16Å; W53-F97 AromaticContact CE3-CE1 3.96Å; W53-F97 HydrophobicContact CE3-CE1 3.96Å; W53-F97 HydrophobicContact CG-CD1 4.07Å; W53-F97 HydrophobicContact CG-CE1 4.1Å; W53-F97 HydrophobicContact CG-CG 4.49Å; W55-F97 AromaticContact CD1-CD2 3.93Å; W55-F97 AromaticContact CD1-CE2 3.71Å; W55-F97 HydrophobicContact CD2-CE2 4.32Å; W55-F97 AromaticContact CE2-CD2 3.97Å; W55-F97 AromaticContact CE2-CE2 3.68Å; W55-F97 HydrophobicContact CG-CE2 4.36Å; W55-F97 HydrophobicContact CZ2-CD2 4.39Å; W55-F97 HydrophobicContact CZ2-CE2 4.18Å; W55-F97 AromaticContact NE1-CD2 3.26Å; W55-F97 VanDerWaalsContact NE1-CD2 3.26Å; W55-F97 AromaticContact NE1-CE2 3.26Å; W55-F97 VanDerWaalsContact NE1-CE2 3.26Å; I70-F97 HydrophobicContact CG2-CB 4.18Å; I70-F97 HydrophobicContact CG2-CD2 4.47Å; T89-F97 CarbonylContact O-C 3.49Å; T89-F97 VanDerWaalsContact O-CA 3.32Å; T89-F97 WeakPolarHBondContact O-CA 3.37Å; T89-F97 WeakPolarHBondContact O-CB 3.49Å; H90-F97 HydrophobicContact CB-CB 4.03Å; F97-C114 HydrophobicContact CZ-CB 3.73Å; F97-C114 VanDerWaalsContact CZ-SG 3.57Å
98	F	98.7	Very high	97.7	Very high	54 Å²	54	55.8 Å²	55.8	24%	0.237	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.9	-164.9	-52.3	-85.6	0	0	0	110.6	L38 T39 I88 T89 D91 H96	L38-F98 VanDerWaalsContact O-CA 3.27Å; L38-F98 WeakPolarHBondContact O-CA 3.29Å; T39-F98 HydrophobicContact CG2-CD1 3.89Å; T39-F98 HydrophobicContact CG2-CE1 3.54Å; T39-F98 HydrophobicContact CG2-CZ 4.45Å; T39-F98 WeakPolarHBondContact OG1-CD1 3.49Å; T39-F98 WeakPolarHBondContact OG1-CE1 3.36Å; I88-F98 VanDerWaalsContact CA-O 3.27Å; I88-F98 WeakPolarHBondContact CA-O 3.4Å; I88-F98 WeakPolarHBondContact CG2-O 3.49Å; T89-F98 PolarHBondContact N-O 2.99Å; T89-F98 PolarHBondContact O-N 3.23Å; D91-F98 HydrophobicContact CB-CE2 3.66Å; D91-F98 HydrophobicContact CB-CZ 4.04Å; H96-F98 HydrophobicContact CB-CE1 4.19Å; H96-F98 HydrophobicContact CB-CE2 4.06Å; H96-F98 HydrophobicContact CB-CZ 3.65Å
99	L	98.8	Very high	97.6	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.5	166.4	172.6	69.4	0	0	0	108.6	S37 L38 W55 M67 I86 I88 Y112	S37-L99 CarbonylContact C-O 3.5Å; S37-L99 WeakPolarHBondContact CA-O 3.12Å; L38-L99 HydrophobicContact CB-CB 4.4Å; L38-L99 HydrophobicContact CD1-CD2 4.28Å; L38-L99 PolarHBondContact N-O 2.84Å; L38-L99 PolarHBondContact O-N 2.84Å; W55-L99 HydrophobicContact CB-CD2 4.27Å; W55-L99 HydrophobicContact CD2-CB 3.64Å; W55-L99 HydrophobicContact CD2-CD2 4.01Å; W55-L99 HydrophobicContact CD2-CG 4.39Å; W55-L99 VanDerWaalsContact CE2-CB 3.44Å; W55-L99 HydrophobicContact CE3-CB 4.29Å; W55-L99 HydrophobicContact CE3-CD2 4.11Å; W55-L99 HydrophobicContact CG-CB 3.84Å; W55-L99 HydrophobicContact CG-CD1 4.41Å; W55-L99 HydrophobicContact CG-CD2 4.1Å; W55-L99 HydrophobicContact CG-CG 4.35Å; W55-L99 HydrophobicContact CZ2-CB 3.94Å; M67-L99 HydrophobicContact CE-CD1 4.14Å; M67-L99 HydrophobicContact CE-CD2 3.69Å; M67-L99 HydrophobicContact CE-CG 4.47Å; M67-L99 HydrophobicContact SD-CD2 3.69Å; I86-L99 HydrophobicContact CB-CD1 4.28Å; I86-L99 HydrophobicContact CG2-CD1 4.41Å; I88-L99 HydrophobicContact CG1-CD1 3.97Å; L99-Y112 HydrophobicContact CD2-CD1 3.88Å; L99-Y112 HydrophobicContact CD2-CE1 4.14Å
100	K	98.6	Very high	97.6	Very high	95 Å²	95	58.1 Å²	58.1	41%	0.413	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.5	165.1	-171.4	174.1	-175.5	179.7	0	109.2	L36 I86 S87 N102	L36-K100 WeakPolarHBondContact O-CA 3.33Å; I86-K100 CarbonylContact C-O 3.55Å; I86-K100 VanDerWaalsContact CA-O 3.26Å; I86-K100 WeakPolarHBondContact CA-O 3.42Å; S87-K100 PolarHBondContact N-O 2.73Å; S87-K100 PolarHBondContact O-N 3.48Å; K100-N102 VanDerWaalsContact CE-OD1 3.29Å; K100-N102 WeakPolarHBondContact CE-OD1 3.17Å
101	L	98.5	Very high	97.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.1	173.3	173.4	66.4	0	0	0	108.6	S35 L36 M67 R85 I86 V104 D108	S35-L101 CarbonylContact C-O 3.6Å; S35-L101 VanDerWaalsContact CA-O 3.3Å; S35-L101 WeakPolarHBondContact CA-O 3.46Å; L36-L101 HydrophobicContact CB-CB 4.34Å; L36-L101 PolarHBondContact N-O 2.84Å; L36-L101 PolarHBondContact O-N 2.72Å; M67-L101 HydrophobicContact CE-CD2 4.45Å; R85-L101 HydrophobicContact CB-CD1 3.83Å; I86-L101 HydrophobicContact CG2-CB 4.45Å; I86-L101 HydrophobicContact CG2-CD1 3.49Å; I86-L101 VanDerWaalsContact CG2-CD1 3.49Å; L101-V104 HydrophobicContact CD2-CG1 4.09Å; L101-V104 HydrophobicContact CG-CG1 4.06Å; L101-D108 HydrophobicContact CD2-CB 3.91Å
102	N	98.4	Very high	97.7	Very high	52 Å²	52	58.3 Å²	58.3	28%	0.278	32%	0.324	S	S	.	.			trans	-86.5	152.3	-178.1	-57.2	-55.1	0	0	0	111.4	S35 R85 K100 V104	S35-N102 PolarHBondContact OG-OD1 3.06Å; R85-N102 PolarHBondContact O-N 3.34Å; R85-N102 PolarHBondContact O-ND2 3.21Å; R85-N102 VanDerWaalsContact O-ND2 3.12Å; K100-N102 VanDerWaalsContact CE-OD1 3.29Å; K100-N102 WeakPolarHBondContact CE-OD1 3.17Å; N102-V104 PolarHBondContact O-N 2.93Å
103	S	97.5	Very high	97.8	Very high	71 Å²	71	59.1 Å²	59.1	50%	0.497	32%	0.319	S	S	.	.	S	Bend	trans	51.7	57.2	175.1	-54.9	0	0	0	0	112.3	Q34 R85	Q34-S103 PolarHBondContact O-N 3.12Å; R85-S103 PolarHBondContact NH1-O 3.38Å
104	V	98	Very high	97.8	Very high	11 Å²	11	54.8 Å²	54.8	7%	0.067	29%	0.288	C	S	.	.			trans	-63.3	145.4	-178.4	-58.4	0	0	0	0	111.4	V30 K31 P32 S33 Q34 L36 L101 N102	V30-V104 HydrophobicContact CB-CG2 4.33Å; V30-V104 HydrophobicContact CG1-CG2 3.77Å; K31-V104 VanDerWaalsContact O-CG2 3.32Å; K31-V104 WeakPolarHBondContact O-CG2 3.3Å; P32-V104 CarbonylContact C-O 3.54Å; P32-V104 WeakPolarHBondContact CA-O 3.44Å; S33-V104 PolarHBondContact N-O 2.82Å; Q34-V104 WeakPolarHBondContact O-CG2 3.4Å; Q34-V104 PolarHBondContact O-N 2.83Å; L36-V104 HydrophobicContact CB-CG1 3.78Å; L101-V104 HydrophobicContact CD2-CG1 4.09Å; L101-V104 HydrophobicContact CG-CG1 4.06Å; N102-V104 PolarHBondContact O-N 2.93Å
105	T	97.3	Very high	97.9	Very high	63 Å²	63	50.1 Å²	50.1	39%	0.387	27%	0.273	S	S	.	.			trans	-122.2	172.9	176.8	66.8	0	0	0	0	109.9	E107 D108	T105-E107 PolarHBondContact O-N 3.04Å; T105-E107 PolarHBondContact OG1-N 2.93Å; T105-D108 PolarHBondContact N-OD2 3.42Å; T105-D108 WeakPolarHBondContact O-CB 3.42Å; T105-D108 PolarHBondContact O-N 3.06Å; T105-D108 PolarHBondContact OG1-OD2 2.76Å
106	T	96.2	Very high	97.7	Very high	114 Å²	114	55 Å²	55	70%	0.699	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-59.9	-29.7	173	48.2	0	0	0	0	112.5	D108 T109	T106-D108 PolarHBondContact O-N 3.1Å; T106-T109 WeakPolarHBondContact O-CB 3.43Å; T106-T109 PolarHBondContact O-N 3.38Å; T106-T109 PolarHBondContact O-OG1 2.72Å
107	E	95.5	Very high	97.6	Very high	157 Å²	157	55.9 Å²	55.9	73%	0.734	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-67.7	-15.9	176.4	-58.5	-176.9	169.7	0	0	113.2	F59 T105 T109	F59-E107 WeakPolarHBondContact CE1-O 3.41Å; T105-E107 PolarHBondContact O-N 3.04Å; T105-E107 PolarHBondContact OG1-N 2.93Å; E107-T109 VanDerWaalsContact C-N 3.27Å
108	D	97.1	Very high	97.6	Very high	9 Å²	9	58.8 Å²	58.8	5%	0.048	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-88.2	5.1	177.1	-58.1	-60.7	0	0	0	112.4	R57 R85 L101 T105 T106 A110 Y112	R57-D108 IonicContact CZ-OD1 3.08Å; R57-D108 IonicContact NH1-OD1 2.71Å; R57-D108 PolarHBondContact NH1-OD1 3.06Å; R57-D108 IonicContact NH2-OD1 2.79Å; R85-D108 IonicContact CZ-OD1 3.56Å; R85-D108 IonicContact CZ-OD2 3.72Å; R85-D108 IonicContact NH1-OD1 3.38Å; R85-D108 PolarHBondContact NH1-OD1 3.1Å; R85-D108 IonicContact NH1-OD2 2.79Å; R85-D108 PolarHBondContact NH1-OD2 3.04Å; R85-D108 IonicContact NH2-OD1 2.82Å; R85-D108 PolarHBondContact NH2-OD1 2.84Å; R85-D108 IonicContact NH2-OD2 3.7Å; L101-D108 HydrophobicContact CD2-CB 3.91Å; T105-D108 PolarHBondContact N-OD2 3.42Å; T105-D108 WeakPolarHBondContact O-CB 3.42Å; T105-D108 PolarHBondContact O-N 3.06Å; T105-D108 PolarHBondContact OG1-OD2 2.76Å; T106-D108 PolarHBondContact O-N 3.1Å; D108-A110 PolarHBondContact O-N 3.06Å; D108-Y112 PolarHBondContact O-OH 3.16Å
109	T	97.2	Very high	97.5	Very high	98 Å²	98	59.1 Å²	59.1	60%	0.601	31%	0.314	S	S	*	.			trans	-71.2	108	174.9	-52.5	0	0	0	0	110	F59 T106 E107	F59-T109 WeakPolarHBondContact CD1-O 3.36Å; T106-T109 WeakPolarHBondContact O-CB 3.43Å; T106-T109 PolarHBondContact O-N 3.38Å; T106-T109 PolarHBondContact O-OG1 2.72Å; E107-T109 VanDerWaalsContact C-N 3.27Å
110	A	97.9	Very high	97.4	Very high	24 Å²	24	62.4 Å²	62.4	20%	0.198	33%	0.332	C	S	.	.	S	Bend	trans	-156.4	164.7	-175.9	0	0	0	0	0	110.4	R57 H58 F59 D108 Y112	R57-A110 HydrophobicContact CB-CB 3.88Å; R57-A110 HydrophobicContact CG-CB 4.45Å; H58-A110 WeakPolarHBondContact O-CA 3.43Å; H58-A110 WeakPolarHBondContact O-CB 3.46Å; F59-A110 HydrophobicContact CD1-CB 3.78Å; F59-A110 HydrophobicContact CE1-CB 3.88Å; F59-A110 HydrophobicContact CG-CB 4.38Å; D108-A110 PolarHBondContact O-N 3.06Å; A110-Y112 HydrophobicContact CB-CD2 4.46Å; A110-Y112 HydrophobicContact CB-CE2 3.98Å; A110-Y112 VanDerWaalsContact O-CD2 3.26Å; A110-Y112 WeakPolarHBondContact O-CD2 3.5Å; A110-Y112 WeakPolarHBondContact O-CE2 3.4Å
111	T	97.8	Very high	97.3	Very high	72 Å²	72	60.4 Å²	60.4	44%	0.442	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133	159.9	-52.1	0	0	0	0	108.4	R57 H58 Y113	R57-T111 CarbonylContact C-O 3.59Å; R57-T111 WeakPolarHBondContact CA-O 3.45Å; H58-T111 PolarHBondContact N-O 2.96Å; H58-T111 PolarHBondContact O-N 3Å; T111-Y113 HydrophobicContact CG2-CD2 4.4Å; T111-Y113 HydrophobicContact CG2-CE1 3.84Å; T111-Y113 HydrophobicContact CG2-CE2 3.71Å; T111-Y113 WeakPolarHBondContact CG2-OH 2.94Å
112	Y	98.4	Very high	97.3	Very high	27 Å²	27	64.4 Å²	64.4	11%	0.106	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.3	-178.9	-69.9	-101.1	0	0	0	109.1	L36 L38 R57 M67 L99 D108 A110	L36-Y112 HydrophobicContact CD2-CD2 4.42Å; L36-Y112 HydrophobicContact CD2-CE1 4.19Å; L36-Y112 HydrophobicContact CD2-CE2 3.9Å; L38-Y112 HydrophobicContact CD1-CD1 3.76Å; L38-Y112 HydrophobicContact CD1-CD2 4.07Å; L38-Y112 HydrophobicContact CD1-CG 3.45Å; L38-Y112 VanDerWaalsContact CD1-CG 3.45Å; R57-Y112 HydrophobicContact CB-CD1 3.89Å; R57-Y112 HydrophobicContact CB-CE1 3.86Å; R57-Y112 HydrophobicContact CB-CG 4.39Å; M67-Y112 HydrophobicContact CE-CE1 3.87Å; M67-Y112 HydrophobicContact SD-CD1 3.71Å; M67-Y112 HydrophobicContact SD-CE1 3.54Å; M67-Y112 VanDerWaalsContact SD-CE1 3.54Å; L99-Y112 HydrophobicContact CD2-CD1 3.88Å; L99-Y112 HydrophobicContact CD2-CE1 4.14Å; D108-Y112 PolarHBondContact O-OH 3.16Å; A110-Y112 HydrophobicContact CB-CD2 4.46Å; A110-Y112 HydrophobicContact CB-CE2 3.98Å; A110-Y112 VanDerWaalsContact O-CD2 3.26Å; A110-Y112 WeakPolarHBondContact O-CD2 3.5Å; A110-Y112 WeakPolarHBondContact O-CE2 3.4Å
113	Y	98.5	Very high	97.2	Very high	96 Å²	96	65.3 Å²	65.3	38%	0.376	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142	-177.6	-62.8	-72.7	0	0	0	110.8	E24 W55 I56 H58 T111	E24-Y113 WeakPolarHBondContact OE1-CA 3.32Å; W55-Y113 WeakPolarHBondContact CA-O 2.97Å; I56-Y113 PolarHBondContact N-O 3.36Å; I56-Y113 PolarHBondContact O-N 3Å; H58-Y113 HydrophobicContact CB-CD2 4.02Å; H58-Y113 HydrophobicContact CB-CE2 3.55Å; T111-Y113 HydrophobicContact CG2-CD2 4.4Å; T111-Y113 HydrophobicContact CG2-CE1 3.84Å; T111-Y113 HydrophobicContact CG2-CE2 3.71Å; T111-Y113 WeakPolarHBondContact CG2-OH 2.94Å
114	C	98.2	Very high	97.2	Very high	12 Å²	12	64.8 Å²	64.8	8%	0.081	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	148.1	161.4	-65.1	0	0	0	0	111	L22 E24 C40 H54 W55 F97	L22-C114 HydrophobicContact CB-CB 4.07Å; L22-C114 HydrophobicContact CD1-CB 3.98Å; E24-C114 HydrophobicContact CG-CB 4.3Å; E24-C114 PolarHBondContact OE1-N 3.35Å; C40-C114 HydrophobicContact CB-CB 4.19Å; C40-C114 WeakPolarHBondContact CB-SG 3.35Å; C40-C114 WeakPolarHBondContact SG-CB 3.48Å; C40-C114 CovalentContact SG-SG 2.01Å; C40-C114 PolarHBondContact SG-SG 3.11Å; H54-C114 CarbonylContact O-C 3.52Å; H54-C114 WeakPolarHBondContact O-CA 3.41Å; W55-C114 VanDerWaalsContact CH2-SG 3.58Å; F97-C114 HydrophobicContact CZ-CB 3.73Å; F97-C114 VanDerWaalsContact CZ-SG 3.57Å
115	A	97.9	Very high	97.1	Very high	26 Å²	26	69.3 Å²	69.3	22%	0.215	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	167.5	169.8	0	0	0	0	0	111.3	H54 I56	H54-A115 HydrophobicContact CB-CB 4.18Å; H54-A115 PolarHBondContact N-O 3.3Å; H54-A115 PolarHBondContact O-N 3.1Å; I56-A115 HydrophobicContact CD1-CB 4.03Å
116	R	93.3	Very high	97.1	Very high	134 Å²	134	69.9 Å²	69.9	51%	0.506	36%	0.364	S	S	.	.			trans	-133.4	0	171.4	69.9	179.4	178.2	85.7	-1.4	110	Y51 D52 W53	Y51-R116 PolarHBondContact OH-NH1 3.21Å; D52-R116 WeakPolarHBondContact O-CA 3.19Å; W53-R116 HydrophobicContact CE3-CB 3.83Å; W53-R116 HydrophobicContact CH2-CB 4.35Å; W53-R116 HydrophobicContact CZ3-CB 3.58Å; W53-R116 HydrophobicContact CZ3-CG 4.38Å

Retrieved 116 of 116 residues in 103.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).