A0A075B5R0_MOUSE Loading...

Immunoglobulin heavy variable 5-16

AlphaFold DB , UniProt , Accession A0A075B5R0, Species MOUSE (Mus musculus, Mouse), Gene Ighv5-16, Length 116 aa.

						>A0A075B5R0_MOUSE|A0A075B5R0|Ighv5-16
MYFRLSSVFLVLILKVQCEVKLVESEGGLVQPGSSMKLSCTASGFTFSDYYMAWVRQVPEKGLEWVANINYDGSSTYYLDSLKSRFIISRDNAKNILYLQMSSLKSEDTATYYCAR
					

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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	52.7	Low	57.7	Low	228 Å²	228	156.3 Å²	156.3	100%	1.123	78%	0.779	S	S	*	*				0	71.5	0	-162.7	169.2	85.3	0	0	106.7
2	Y	42.6	Very low	58.5	Low	202 Å²	202	155 Å²	155	79%	0.792	78%	0.776	S	S	*	*			cis	52.1	116.4	39.8	-72.5	-43.1	0	0	0	110
3	F	49	Very low	59.4	Low	158 Å²	158	153.3 Å²	153.3	69%	0.693	77%	0.768	S	S	*	*			cis	-156.4	135.3	13.5	-100.6	-94.8	0	0	0	104.9
4	R	54.6	Low	59.7	Low	215 Å²	215	153.7 Å²	153.7	81%	0.811	77%	0.773	S	S	*	*				65.6	143.8	89.3	-87.8	-113.5	-172.3	-164.3	-1	115.7
5	L	54.5	Low	59.9	Low	147 Å²	147	154.2 Å²	154.2	77%	0.77	77%	0.768	S	S	*	*			trans	88.2	146.8	151.8	-59	139.7	0	0	0	115.7
6	S	58.1	Low	60	Low	90 Å²	90	153.1 Å²	153.1	63%	0.629	77%	0.772	S	S	*	*			cis	176.5	157.8	-7	-178.2	0	0	0	0	107
7	S	56.6	Low	59.9	Low	104 Å²	104	149.2 Å²	149.2	73%	0.727	75%	0.75	S	S	*	*			trans	70	145.9	154.1	-46.4	0	0	0	0	116.5
8	V	65.6	Low	60.4	Low	114 Å²	114	147.8 Å²	147.8	69%	0.691	76%	0.755	S	S	*	*			cis	-158.7	135.5	28.7	174.5	0	0	0	0	106.2	L10	V8-L10 HydrophobicContact CG1-CD1 4.44Å; V8-L10 PolarHBondContact O-N 2.89Å
9	F	61.7	Low	61.8	Low	211 Å²	211	145.5 Å²	145.5	93%	0.925	74%	0.741	S	S	*	*			trans	-81.5	97.2	164.4	-107.8	-90.3	0	0	0	108.4
10	L	69.4	Low	63.3	Low	132 Å²	132	141.8 Å²	141.8	69%	0.691	73%	0.726	S	S	*	*			trans	-84	109.7	174.6	-156.4	88.6	0	0	0	108.4	V8 L12	V8-L10 HydrophobicContact CG1-CD1 4.44Å; V8-L10 PolarHBondContact O-N 2.89Å; L10-L12 HydrophobicContact CD2-CD2 4.43Å; L10-L12 HydrophobicContact CD2-CG 4.37Å; L10-L12 PolarHBondContact O-N 3.12Å
11	V	70.3	Confident	64.8	Low	118 Å²	118	138.9 Å²	138.9	72%	0.715	71%	0.708	S	S	*	*			trans	-81.2	103.4	172.3	179.6	0	0	0	0	108.3	I13	V11-I13 HydrophobicContact CG1-CG1 4.07Å; V11-I13 PolarHBondContact O-N 3.2Å
12	L	67	Low	67	Low	141 Å²	141	130.3 Å²	130.3	74%	0.738	67%	0.666	S	S	*	*			trans	-77.7	99.7	169.2	-77.4	161.8	0	0	0	108.9	L10 L14	L10-L12 HydrophobicContact CD2-CD2 4.43Å; L10-L12 HydrophobicContact CD2-CG 4.37Å; L10-L12 PolarHBondContact O-N 3.12Å; L12-L14 PolarHBondContact O-N 3.01Å; L12-L14 VanDerWaalsContact O-N 3.15Å
13	I	70.5	Confident	69.6	Low	133 Å²	133	124.7 Å²	124.7	68%	0.682	65%	0.653	S	S	*	*			trans	-77.8	98.6	168.7	-52.4	177.9	0	0	0	107.4	V11 K15	V11-I13 HydrophobicContact CG1-CG1 4.07Å; V11-I13 PolarHBondContact O-N 3.2Å; I13-K15 VanDerWaalsContact C-N 3.27Å; I13-K15 HydrophobicContact CG2-CG 3.89Å; I13-K15 PolarHBondContact O-N 3.2Å
14	L	63.2	Low	71.9	Confident	159 Å²	159	120.2 Å²	120.2	83%	0.832	63%	0.634	S	S	*	*			trans	-69.1	87.2	166.1	-70.9	169.6	0	0	0	108.5	L12 V16	L12-L14 PolarHBondContact O-N 3.01Å; L12-L14 VanDerWaalsContact O-N 3.15Å; L14-V16 PolarHBondContact O-N 2.77Å; L14-V16 VanDerWaalsContact O-N 3.13Å
15	K	63.4	Low	73.9	Confident	161 Å²	161	111.7 Å²	111.7	70%	0.7	61%	0.607	S	S	*	*			trans	-75.4	96.3	165.2	-75.3	-164.9	176.1	-174.3	0	108.3	I13 Q17	I13-K15 VanDerWaalsContact C-N 3.27Å; I13-K15 HydrophobicContact CG2-CG 3.89Å; I13-K15 PolarHBondContact O-N 3.2Å; K15-Q17 VanDerWaalsContact C-N 3.32Å; K15-Q17 HydrophobicContact CB-CG 4.05Å; K15-Q17 PolarHBondContact O-N 3.45Å
16	V	60.9	Low	75.8	Confident	137 Å²	137	113.8 Å²	113.8	83%	0.83	61%	0.613	S	S	*	*			trans	-69.4	96.1	160	177.9	0	0	0	0	106.5	L14 C18	L14-V16 PolarHBondContact O-N 2.77Å; L14-V16 VanDerWaalsContact O-N 3.13Å; V16-C18 PolarHBondContact O-N 3.1Å
17	Q	57.4	Low	77.4	Confident	86 Å²	86	112 Å²	112	40%	0.402	61%	0.609	S	S	.	*			trans	-89.7	94.2	176	-72.9	-119.7	-70.2	0	0	109.2	K15 E19	K15-Q17 VanDerWaalsContact C-N 3.32Å; K15-Q17 HydrophobicContact CB-CG 4.05Å; K15-Q17 PolarHBondContact O-N 3.45Å; Q17-E19 HydrophobicContact CB-CB 4.44Å; Q17-E19 PolarHBondContact NE2-OE2 2.6Å; Q17-E19 PolarHBondContact O-N 3.11Å; Q17-E19 PolarHBondContact OE1-OE2 3.41Å
18	C	69.1	Low	79.1	Confident	125 Å²	125	109.4 Å²	109.4	85%	0.845	60%	0.598	S	S	*	*			trans	-83.6	52.3	159.1	-160.2	0	0	0	0	108.9	V16	V16-C18 PolarHBondContact O-N 3.1Å
19	E	87.5	Confident	80.4	Confident	104 Å²	104	112.8 Å²	112.8	49%	0.486	61%	0.612	S	S	.	*			trans	-113.7	130.6	-177.6	-169	173.2	-177.2	0	0	108.1	Q17 K21	Q17-E19 HydrophobicContact CB-CB 4.44Å; Q17-E19 PolarHBondContact NE2-OE2 2.6Å; Q17-E19 PolarHBondContact O-N 3.11Å; Q17-E19 PolarHBondContact OE1-OE2 3.41Å; E19-K21 PolarHBondContact O-N 3.28Å
20	V	91.6	Very high	81.9	Confident	71 Å²	71	105.6 Å²	105.6	43%	0.43	59%	0.585	S	S	.	*			trans	-65.4	124.4	172.1	171.6	0	0	0	0	107.8	F45	V20-F45 HydrophobicContact CG1-CD1 3.79Å; V20-F45 HydrophobicContact CG1-CE1 3.94Å; V20-F45 HydrophobicContact CG2-CD1 4.34Å
21	K	95.7	Very high	83.1	Confident	81 Å²	81	106.5 Å²	106.5	35%	0.352	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.9	136.2	177.8	-62.8	-179.4	-178.8	-174.6	0	110.7	E19 A42 S43	E19-K21 PolarHBondContact O-N 3.28Å; K21-A42 CarbonylContact O-C 3.58Å; K21-A42 WeakPolarHBondContact O-CA 3.22Å; K21-S43 WeakPolarHBondContact CB-OG 3.5Å; K21-S43 PolarHBondContact N-O 2.87Å; K21-S43 PolarHBondContact O-N 2.68Å
22	L	97.4	Very high	84.3	Confident	47 Å²	47	105.7 Å²	105.7	25%	0.246	58%	0.583	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.6	123.2	169.7	-66.4	-176.8	0	0	0	106	A42 F45 M52 C114	L22-A42 HydrophobicContact CD2-CB 3.71Å; L22-F45 HydrophobicContact CD2-CE1 3.94Å; L22-F45 HydrophobicContact CD2-CZ 3.97Å; L22-M52 HydrophobicContact CD1-CE 4.47Å; L22-M52 HydrophobicContact CD2-CE 3.93Å; L22-C114 WeakPolarHBondContact CD1-O 3.5Å
23	V	97.6	Very high	85.7	Confident	84 Å²	84	101.4 Å²	101.4	51%	0.509	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.7	105.7	-175	-176.7	0	0	0	0	109.2	C40 T41	V23-C40 CarbonylContact O-C 3.57Å; V23-C40 WeakPolarHBondContact O-CA 3.42Å; V23-T41 PolarHBondContact N-O 3.33Å; V23-T41 PolarHBondContact O-N 2.89Å
24	E	98.2	Very high	86.9	Confident	64 Å²	64	96.9 Å²	96.9	30%	0.299	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.2	148	176.6	-61.8	84.3	172.4	0	0	111.9	S39 C40 W54 Y113 C114	E24-S39 CarbonylContact C-O 3.53Å; E24-S39 VanDerWaalsContact CA-O 3.32Å; E24-S39 WeakPolarHBondContact CA-O 3.49Å; E24-C40 HydrophobicContact CG-CB 4.43Å; E24-W54 HydrophobicContact CG-CH2 4.1Å; E24-W54 HydrophobicContact CG-CZ3 3.96Å; E24-Y113 WeakPolarHBondContact OE1-CA 3.28Å; E24-C114 PolarHBondContact OE1-N 2.93Å; E24-C114 PolarHBondContact OE1-SG 3.15Å
25	S	97.2	Very high	88.5	Confident	36 Å²	36	92.6 Å²	92.6	25%	0.252	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-63.1	150.5	168.5	50.2	0	0	0	0	110.5	G27 S39	S25-G27 PolarHBondContact O-N 3.01Å; S25-S39 WeakPolarHBondContact CB-OG 3.43Å; S25-S39 PolarHBondContact N-O 2.94Å; S25-S39 PolarHBondContact OG-N 2.8Å; S25-S39 PolarHBondContact OG-O 3.07Å
26	E	93.2	Very high	90.1	Very high	192 Å²	192	86.8 Å²	86.8	90%	0.897	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-54.1	129.4	167.3	-164.2	175.8	178	0	0	109.7
27	G	91.3	Very high	91.8	Very high	52 Å²	52	85.5 Å²	85.5	54%	0.536	50%	0.495	S	S	.	.			trans	-71.3	-166.3	172.4	0	0	0	0	0	111	S25	S25-G27 PolarHBondContact O-N 3.01Å
28	G	92.5	Very high	93.7	Very high	49 Å²	49	82 Å²	82	51%	0.505	48%	0.479	S	S	.	.			trans	-170.5	162	174.6	0	0	0	0	0	112.4
29	L	93.7	Very high	95.1	Very high	185 Å²	185	77.6 Å²	77.6	97%	0.969	45%	0.45	S	S	*	.			trans	-77.8	129.3	168.7	-64.4	174.1	0	0	0	108.8
30	V	93.7	Very high	95.7	Very high	61 Å²	61	72.6 Å²	72.6	37%	0.37	43%	0.427	S	S	.	.			trans	-133.8	152	179.3	-68.2	0	0	0	0	110.4	S34 M36 L104	V30-S34 WeakPolarHBondContact CB-OG 3.41Å; V30-M36 HydrophobicContact CG1-CE 3.36Å; V30-M36 HydrophobicContact CG1-SD 4.48Å; V30-L104 HydrophobicContact CG2-CD1 3.66Å
31	Q	94.4	Very high	96	Very high	151 Å²	151	72.2 Å²	72.2	71%	0.706	42%	0.424	S	S	*	.			trans	-74.5	145.8	178.6	-64	-61	-30.1	0	0	110.6	G33 S34	Q31-G33 PolarHBondContact O-N 3Å; Q31-S34 VanDerWaalsContact O-CB 3.22Å; Q31-S34 WeakPolarHBondContact O-CB 3.47Å; Q31-S34 PolarHBondContact O-N 2.93Å; Q31-S34 VanDerWaalsContact O-N 3.1Å; Q31-S34 PolarHBondContact O-OG 2.86Å
32	P	94.3	Very high	96.1	Very high	100 Å²	100	68.5 Å²	68.5	65%	0.649	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	138.9	170.1	-25.8	34.9	0	0	0	111.7	S34 L104	P32-S34 VanDerWaalsContact C-N 3.27Å; P32-S34 PolarHBondContact O-N 2.91Å; P32-L104 CarbonylContact C-O 3.56Å; P32-L104 WeakPolarHBondContact CA-O 3.26Å
33	G	96.1	Very high	96	Very high	51 Å²	51	68.8 Å²	68.8	53%	0.526	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-12.9	-176.2	0	0	0	0	0	115	Q31 L104	Q31-G33 PolarHBondContact O-N 3Å; G33-L104 PolarHBondContact N-O 2.85Å
34	S	96.7	Very high	95.8	Very high	39 Å²	39	66.9 Å²	66.9	27%	0.273	41%	0.412	S	S	.	.			trans	-75.5	178.6	176.2	72.8	0	0	0	0	112.6	V30 Q31 P32 S103 L104	V30-S34 WeakPolarHBondContact CB-OG 3.41Å; Q31-S34 VanDerWaalsContact O-CB 3.22Å; Q31-S34 WeakPolarHBondContact O-CB 3.47Å; Q31-S34 PolarHBondContact O-N 2.93Å; Q31-S34 VanDerWaalsContact O-N 3.1Å; Q31-S34 PolarHBondContact O-OG 2.86Å; P32-S34 VanDerWaalsContact C-N 3.27Å; P32-S34 PolarHBondContact O-N 2.91Å; S34-S103 PolarHBondContact O-N 2.01Å; S34-L104 PolarHBondContact O-N 2.85Å
35	S	96.6	Very high	95.7	Very high	69 Å²	69	65.4 Å²	65.4	48%	0.483	41%	0.405	S	S	.	.			trans	-121.9	150.5	178.3	-58.5	0	0	0	0	110.7	M101 S102	S35-M101 CarbonylContact C-O 3.5Å; S35-M101 WeakPolarHBondContact CA-O 3.34Å; S35-M101 VanDerWaalsContact CB-O 3.26Å; S35-M101 WeakPolarHBondContact CB-O 3.3Å; S35-S102 WeakPolarHBondContact OG-CA 3.39Å
36	M	96.3	Very high	95.6	Very high	39 Å²	39	67.4 Å²	67.4	19%	0.192	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	151.8	176.5	173.1	175.2	-90	0	0	109.6	V30 L38 M101 L104	V30-M36 HydrophobicContact CG1-CE 3.36Å; V30-M36 HydrophobicContact CG1-SD 4.48Å; M36-L38 HydrophobicContact CG-CD2 4.22Å; M36-L38 HydrophobicContact SD-CD2 3.91Å; M36-M101 HydrophobicContact CB-CE 3.84Å; M36-M101 HydrophobicContact CG-CE 3.77Å; M36-M101 PolarHBondContact N-O 3.2Å; M36-M101 PolarHBondContact O-N 3.32Å; M36-M101 HydrophobicContact SD-CE 3.93Å; M36-L104 HydrophobicContact CB-CD1 3.85Å
37	K	97.3	Very high	95.7	Very high	110 Å²	110	58.4 Å²	58.4	48%	0.478	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.7	173.3	-174.2	177.6	177.7	178.6	0	109.3	Y98 L99	K37-Y98 HydrophobicContact CD-CD1 4.44Å; K37-L99 WeakPolarHBondContact CA-O 3.41Å
38	L	98	Very high	96	Very high	11 Å²	11	58 Å²	58	6%	0.058	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	152.7	169.6	-56.3	178.1	0	0	0	109.8	M36 W54 Y98 L99 M101 Y112	M36-L38 HydrophobicContact CG-CD2 4.22Å; M36-L38 HydrophobicContact SD-CD2 3.91Å; L38-W54 HydrophobicContact CB-CH2 3.82Å; L38-W54 HydrophobicContact CB-CZ2 4.08Å; L38-W54 HydrophobicContact CB-CZ3 4.43Å; L38-W54 HydrophobicContact CD1-CH2 4.48Å; L38-W54 HydrophobicContact CD1-CZ3 4.27Å; L38-Y98 VanDerWaalsContact O-CA 3.31Å; L38-Y98 WeakPolarHBondContact O-CA 3.35Å; L38-L99 HydrophobicContact CB-CB 4.36Å; L38-L99 PolarHBondContact N-O 2.84Å; L38-L99 PolarHBondContact O-N 2.81Å; L38-M101 HydrophobicContact CD1-CE 3.78Å; L38-M101 HydrophobicContact CD1-SD 4.28Å; L38-M101 HydrophobicContact CD2-CE 4.24Å; L38-M101 HydrophobicContact CG-CE 3.63Å; L38-Y112 HydrophobicContact CD1-CD1 4.17Å; L38-Y112 HydrophobicContact CD1-CD2 4.09Å; L38-Y112 HydrophobicContact CD1-CG 3.68Å
39	S	98.5	Very high	96.2	Very high	33 Å²	33	60.7 Å²	60.7	23%	0.231	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	152.8	169.6	63.3	0	0	0	0	110.9	E24 S25 L97	E24-S39 CarbonylContact C-O 3.53Å; E24-S39 VanDerWaalsContact CA-O 3.32Å; E24-S39 WeakPolarHBondContact CA-O 3.49Å; S25-S39 WeakPolarHBondContact CB-OG 3.43Å; S25-S39 PolarHBondContact N-O 2.94Å; S25-S39 PolarHBondContact OG-N 2.8Å; S25-S39 PolarHBondContact OG-O 3.07Å; S39-L97 CarbonylContact C-O 3.53Å; S39-L97 VanDerWaalsContact CA-O 3.24Å; S39-L97 WeakPolarHBondContact CA-O 3.32Å
40	C	98.6	Very high	96.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	118.6	171.1	162.7	0	0	0	0	109.2	V23 E24 W54 I96 L97 C114	V23-C40 CarbonylContact O-C 3.57Å; V23-C40 WeakPolarHBondContact O-CA 3.42Å; E24-C40 HydrophobicContact CG-CB 4.43Å; C40-W54 HydrophobicContact CB-CH2 3.87Å; C40-W54 HydrophobicContact CB-CZ2 3.88Å; C40-I96 WeakPolarHBondContact O-CA 3.34Å; C40-L97 HydrophobicContact CB-CB 4.28Å; C40-L97 PolarHBondContact N-O 3.21Å; C40-L97 PolarHBondContact O-N 3.43Å; C40-C114 HydrophobicContact CB-CB 3.39Å; C40-C114 WeakPolarHBondContact CB-SG 3.4Å; C40-C114 WeakPolarHBondContact SG-CB 3.37Å; C40-C114 CovalentContact SG-SG 2.01Å; C40-C114 PolarHBondContact SG-SG 3.27Å
41	T	98.1	Very high	96.6	Very high	62 Å²	62	59.2 Å²	59.2	38%	0.38	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	121.9	178.8	-55	0	0	0	0	109.2	V23	V23-T41 PolarHBondContact N-O 3.33Å; V23-T41 PolarHBondContact O-N 2.89Å
42	A	97.7	Very high	96.8	Very high	3 Å²	3	52.1 Å²	52.1	3%	0.025	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	139.3	-179.9	0	0	0	0	0	111.7	K21 L22 F45 F47 N95	K21-A42 CarbonylContact O-C 3.58Å; K21-A42 WeakPolarHBondContact O-CA 3.22Å; L22-A42 HydrophobicContact CD2-CB 3.71Å; A42-F45 HydrophobicContact CB-CE1 3.75Å; A42-F45 HydrophobicContact CB-CZ 3.55Å; A42-F47 HydrophobicContact CB-CD2 3.44Å; A42-F47 VanDerWaalsContact CB-CD2 3.44Å; A42-F47 HydrophobicContact CB-CE2 3.92Å; A42-F47 HydrophobicContact CB-CG 4.33Å; A42-N95 HydrophobicContact CB-CB 4.38Å; A42-N95 PolarHBondContact N-O 2.78Å; A42-N95 WeakPolarHBondContact O-CB 3.43Å
43	S	95.9	Very high	97	Very high	53 Å²	53	48 Å²	48	37%	0.371	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	163.2	172.4	58.6	0	0	0	0	111.6	K21 F45	K21-S43 WeakPolarHBondContact CB-OG 3.5Å; K21-S43 PolarHBondContact N-O 2.87Å; K21-S43 PolarHBondContact O-N 2.68Å; S43-F45 WeakPolarHBondContact O-CD1 3.29Å
44	G	94.5	Very high	97.1	Very high	45 Å²	45	45.7 Å²	45.7	46%	0.464	26%	0.259	S	S	.	.	S	Bend	trans	84.7	7	-177.7	0	0	0	0	0	114.9
45	F	94.3	Very high	97.2	Very high	33 Å²	33	45.4 Å²	45.4	15%	0.145	26%	0.255	C	S	.	.	S	Bend	trans	-157.6	164.8	173.8	65.2	-81	0	0	0	111.6	V20 L22 A42 S43 F47 Y50 M52 R116	V20-F45 HydrophobicContact CG1-CD1 3.79Å; V20-F45 HydrophobicContact CG1-CE1 3.94Å; V20-F45 HydrophobicContact CG2-CD1 4.34Å; L22-F45 HydrophobicContact CD2-CE1 3.94Å; L22-F45 HydrophobicContact CD2-CZ 3.97Å; A42-F45 HydrophobicContact CB-CE1 3.75Å; A42-F45 HydrophobicContact CB-CZ 3.55Å; S43-F45 WeakPolarHBondContact O-CD1 3.29Å; F45-F47 HydrophobicContact CE2-CB 4.27Å; F45-F47 HydrophobicContact CE2-CD2 4.12Å; F45-F47 HydrophobicContact CZ-CD2 4.15Å; F45-F47 PolarHBondContact O-N 3.27Å; F45-F47 VanDerWaalsContact O-N 3.1Å; F45-Y50 AromaticContact CD2-CD2 3.73Å; F45-Y50 HydrophobicContact CD2-CD2 3.73Å; F45-Y50 HydrophobicContact CD2-CE2 4.05Å; F45-Y50 HydrophobicContact CE2-CD2 4.19Å; F45-M52 HydrophobicContact CE2-SD 4.31Å; F45-M52 HydrophobicContact CZ-SD 4.27Å; F45-R116 HydrophobicContact CE2-CG 4.25Å; F45-R116 HydrophobicContact CZ-CG 4.5Å
46	T	95.6	Very high	97.2	Very high	78 Å²	78	42.8 Å²	42.8	48%	0.479	24%	0.235	S	C	.	.			trans	-72.8	97.9	171.4	-49.8	0	0	0	0	109.7	S48 D49 Y50	T46-S48 WeakPolarHBondContact CG2-OG 3.26Å; T46-S48 PolarHBondContact O-N 2.8Å; T46-D49 WeakPolarHBondContact CB-OD2 3.26Å; T46-D49 HydrophobicContact CG2-CB 4.3Å; T46-D49 WeakPolarHBondContact CG2-OD1 3.43Å; T46-D49 VanDerWaalsContact CG2-OD2 3.28Å; T46-D49 WeakPolarHBondContact CG2-OD2 3.47Å; T46-D49 WeakPolarHBondContact O-CB 3.13Å; T46-D49 PolarHBondContact O-N 2.97Å; T46-Y50 WeakPolarHBondContact O-CD2 3.49Å
47	F	96.7	Very high	97.3	Very high	2 Å²	2	45 Å²	45	1%	0.009	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-55.2	-37.9	-175.3	179	-106.3	0	0	0	113.5	A42 F45 D49 Y50 M52 R90 N92 N95 L97	A42-F47 HydrophobicContact CB-CD2 3.44Å; A42-F47 VanDerWaalsContact CB-CD2 3.44Å; A42-F47 HydrophobicContact CB-CE2 3.92Å; A42-F47 HydrophobicContact CB-CG 4.33Å; F45-F47 HydrophobicContact CE2-CB 4.27Å; F45-F47 HydrophobicContact CE2-CD2 4.12Å; F45-F47 HydrophobicContact CZ-CD2 4.15Å; F45-F47 PolarHBondContact O-N 3.27Å; F45-F47 VanDerWaalsContact O-N 3.1Å; F47-D49 PolarHBondContact O-N 3.24Å; F47-Y50 PolarHBondContact O-N 2.91Å; F47-M52 HydrophobicContact CD2-CE 4.47Å; F47-M52 HydrophobicContact CD2-CG 4.21Å; F47-M52 HydrophobicContact CD2-SD 3.99Å; F47-M52 HydrophobicContact CE2-CE 3.94Å; F47-M52 HydrophobicContact CE2-CG 3.55Å; F47-M52 HydrophobicContact CE2-SD 3.74Å; F47-M52 HydrophobicContact CZ-CG 3.95Å; F47-R90 VanDerWaalsContact CD1-NH2 3.27Å; F47-R90 HydrophobicContact CE1-CB 4.12Å; F47-R90 VanDerWaalsContact CE1-NH2 3.29Å; F47-R90 HydrophobicContact CZ-CB 4.22Å; F47-R90 PolarHBondContact O-NH2 2.76Å; F47-N92 WeakPolarHBondContact CD1-OD1 3.26Å; F47-N92 WeakPolarHBondContact CE1-OD1 3.36Å; F47-N95 HydrophobicContact CB-CB 3.93Å; F47-N95 VanDerWaalsContact CB-OD1 3.26Å; F47-N95 WeakPolarHBondContact CB-OD1 3.49Å; F47-N95 HydrophobicContact CD1-CB 4.43Å; F47-N95 HydrophobicContact CG-CB 4.1Å; F47-L97 HydrophobicContact CE2-CB 4.48Å; F47-L97 HydrophobicContact CZ-CB 4.24Å
48	S	96.9	Very high	97.2	Very high	45 Å²	45	40.9 Å²	40.9	32%	0.315	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-69.8	-5.2	179.1	57.9	0	0	0	0	115.1	T46 Y71	T46-S48 WeakPolarHBondContact CG2-OG 3.26Å; T46-S48 PolarHBondContact O-N 2.8Å; S48-Y71 WeakPolarHBondContact O-CB 3.35Å
49	D	96.8	Very high	97.1	Very high	104 Å²	104	44.6 Å²	44.6	56%	0.556	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-94.3	-7.2	-179.7	-65.9	-5.6	0	0	0	112.4	T46 F47	T46-D49 WeakPolarHBondContact CB-OD2 3.26Å; T46-D49 HydrophobicContact CG2-CB 4.3Å; T46-D49 WeakPolarHBondContact CG2-OD1 3.43Å; T46-D49 VanDerWaalsContact CG2-OD2 3.28Å; T46-D49 WeakPolarHBondContact CG2-OD2 3.47Å; T46-D49 WeakPolarHBondContact O-CB 3.13Å; T46-D49 PolarHBondContact O-N 2.97Å; F47-D49 PolarHBondContact O-N 3.24Å
50	Y	97.1	Very high	96.9	Very high	97 Å²	97	53.1 Å²	53.1	38%	0.38	29%	0.29	S	S	.	.	S	Bend	trans	-125.1	150.2	-171.3	-64.2	-97.5	0	0	0	113	F45 T46 F47 R90 R116	F45-Y50 AromaticContact CD2-CD2 3.73Å; F45-Y50 HydrophobicContact CD2-CD2 3.73Å; F45-Y50 HydrophobicContact CD2-CE2 4.05Å; F45-Y50 HydrophobicContact CE2-CD2 4.19Å; T46-Y50 WeakPolarHBondContact O-CD2 3.49Å; F47-Y50 PolarHBondContact O-N 2.91Å; Y50-R90 PolarHBondContact O-NH1 2.84Å; Y50-R116 HydrophobicContact CD1-CG 3.71Å; Y50-R116 HydrophobicContact CG-CG 3.65Å; Y50-R116 PolarHBondContact OH-NH1 3.26Å
51	Y	98	Very high	96.6	Very high	119 Å²	119	59.6 Å²	59.6	47%	0.467	32%	0.318	S	S	.	.			trans	-64.3	150.1	159.7	-73.8	-107	0	0	0	108.8	I69 N70 Y71	Y51-I69 WeakPolarHBondContact CA-O 3.3Å; Y51-N70 VanDerWaalsContact CD1-CA 3.47Å; Y51-N70 HydrophobicContact CD1-CB 3.8Å; Y51-N70 HydrophobicContact CE1-CB 3.27Å; Y51-N70 HydrophobicContact CE2-CB 4.45Å; Y51-Y71 HydrophobicContact CE2-CD1 4.32Å
52	M	98.4	Very high	96.5	Very high	1 Å²	1	58 Å²	58	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145.4	176	-62.9	-60.2	-53.7	0	0	108.8	L22 F45 F47 N68 I69 L97 A115 R116	L22-M52 HydrophobicContact CD1-CE 4.47Å; L22-M52 HydrophobicContact CD2-CE 3.93Å; F45-M52 HydrophobicContact CE2-SD 4.31Å; F45-M52 HydrophobicContact CZ-SD 4.27Å; F47-M52 HydrophobicContact CD2-CE 4.47Å; F47-M52 HydrophobicContact CD2-CG 4.21Å; F47-M52 HydrophobicContact CD2-SD 3.99Å; F47-M52 HydrophobicContact CE2-CE 3.94Å; F47-M52 HydrophobicContact CE2-CG 3.55Å; F47-M52 HydrophobicContact CE2-SD 3.74Å; F47-M52 HydrophobicContact CZ-CG 3.95Å; M52-N68 CarbonylContact O-C 3.45Å; M52-N68 VanDerWaalsContact O-CA 3.23Å; M52-N68 WeakPolarHBondContact O-CA 3.31Å; M52-N68 WeakPolarHBondContact O-CB 3.41Å; M52-I69 HydrophobicContact CB-CG2 4.06Å; M52-I69 PolarHBondContact N-O 2.86Å; M52-I69 PolarHBondContact O-N 3.03Å; M52-L97 HydrophobicContact CB-CD1 3.69Å; M52-L97 HydrophobicContact CB-CD2 3.89Å; M52-L97 HydrophobicContact CB-CG 4.32Å; M52-L97 HydrophobicContact CG-CD1 4.48Å; M52-A115 CarbonylContact C-O 3.47Å; M52-A115 WeakPolarHBondContact CA-O 3.41Å; M52-A115 WeakPolarHBondContact CE-O 3.5Å; M52-R116 HydrophobicContact CE-CB 4.13Å; M52-R116 HydrophobicContact SD-CB 3.84Å; M52-R116 HydrophobicContact SD-CG 3.81Å
53	A	98.6	Very high	96.5	Very high	15 Å²	15	63.9 Å²	63.9	12%	0.124	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157	-177.9	0	0	0	0	0	111.8	A67 N68 C114 A115	A53-A67 CarbonylContact C-O 3.59Å; A53-A67 WeakPolarHBondContact CA-O 3.45Å; A53-A67 WeakPolarHBondContact CB-O 3.39Å; A53-N68 HydrophobicContact CB-CB 3.91Å; A53-C114 CarbonylContact O-C 3.59Å; A53-C114 VanDerWaalsContact O-CA 3.3Å; A53-C114 WeakPolarHBondContact O-CA 3.41Å; A53-A115 HydrophobicContact CB-CB 4.46Å; A53-A115 PolarHBondContact N-O 3.3Å; A53-A115 PolarHBondContact O-N 3.19Å
54	W	98.6	Very high	96.5	Very high	1 Å²	1	63.1 Å²	63.1	0%	0.004	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.8	161	-76.6	96.3	0	0	0	108.9	E24 L38 C40 V66 A67 L97 L99 Y113 C114	E24-W54 HydrophobicContact CG-CH2 4.1Å; E24-W54 HydrophobicContact CG-CZ3 3.96Å; L38-W54 HydrophobicContact CB-CH2 3.82Å; L38-W54 HydrophobicContact CB-CZ2 4.08Å; L38-W54 HydrophobicContact CB-CZ3 4.43Å; L38-W54 HydrophobicContact CD1-CH2 4.48Å; L38-W54 HydrophobicContact CD1-CZ3 4.27Å; C40-W54 HydrophobicContact CB-CH2 3.87Å; C40-W54 HydrophobicContact CB-CZ2 3.88Å; W54-V66 HydrophobicContact CB-CB 4.12Å; W54-V66 HydrophobicContact CB-CG1 4.38Å; W54-V66 WeakPolarHBondContact O-CB 3.31Å; W54-V66 PolarHBondContact O-N 2.72Å; W54-A67 PolarHBondContact N-O 2.71Å; W54-A67 PolarHBondContact O-N 2.91Å; W54-L97 HydrophobicContact CD2-CD2 4.47Å; W54-L97 HydrophobicContact CG-CD2 4.34Å; W54-L97 VanDerWaalsContact NE1-CD2 3.3Å; W54-L99 HydrophobicContact CB-CD2 4.19Å; W54-L99 HydrophobicContact CD2-CB 4.09Å; W54-L99 HydrophobicContact CD2-CD2 4.2Å; W54-L99 HydrophobicContact CG-CB 4.11Å; W54-L99 HydrophobicContact CG-CD1 4.38Å; W54-L99 HydrophobicContact CG-CD2 3.97Å; W54-L99 HydrophobicContact CG-CG 4.39Å; W54-L99 HydrophobicContact CZ2-CB 4.27Å; W54-Y113 WeakPolarHBondContact CA-O 3.47Å; W54-C114 HydrophobicContact CD2-CB 4.49Å; W54-C114 HydrophobicContact CE3-CB 4.37Å; W54-C114 HydrophobicContact CH2-CB 4.38Å; W54-C114 HydrophobicContact CZ2-CB 4.49Å; W54-C114 HydrophobicContact CZ3-CB 4.31Å
55	V	98.3	Very high	96.7	Very high	33 Å²	33	65.4 Å²	65.4	20%	0.2	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.4	173.4	-177.5	0	0	0	0	106.7	L63 E64 Y113 A115	V55-L63 HydrophobicContact CG1-CB 4.25Å; V55-L63 HydrophobicContact CG1-CD2 3.94Å; V55-E64 WeakPolarHBondContact CA-O 3.5Å; V55-E64 WeakPolarHBondContact CG1-O 3.34Å; V55-Y113 PolarHBondContact N-O 2.79Å; V55-Y113 PolarHBondContact O-N 3.13Å; V55-Y113 VanDerWaalsContact O-O 3.12Å; V55-A115 HydrophobicContact CG2-CB 4.38Å
56	R	97.6	Very high	96.9	Very high	14 Å²	14	63.9 Å²	63.9	5%	0.053	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.2	175.5	70.8	-180	179.2	177.1	3.1	110.9	V58 L63 E64 V66 D108 A110 T111 Y112	R56-V58 HydrophobicContact CG-CG2 4.02Å; R56-L63 CarbonylContact O-C 3.54Å; R56-L63 WeakPolarHBondContact O-CA 3.46Å; R56-E64 HydrophobicContact CG-CB 4.23Å; R56-E64 IonicContact CZ-OE2 2.91Å; R56-E64 VanDerWaalsContact CZ-OE2 3.25Å; R56-E64 PolarHBondContact N-O 3.35Å; R56-E64 IonicContact NE-OE2 2.71Å; R56-E64 PolarHBondContact NE-OE2 2.95Å; R56-E64 IonicContact NH2-OE2 3.83Å; R56-E64 PolarHBondContact NH2-OE2 2.83Å; R56-E64 PolarHBondContact O-N 3.48Å; R56-V66 HydrophobicContact CB-CG2 3.78Å; R56-V66 HydrophobicContact CG-CG2 3.56Å; R56-D108 IonicContact NH1-OD1 2.72Å; R56-D108 PolarHBondContact NH1-OD1 3.35Å; R56-A110 HydrophobicContact CB-CB 3.85Å; R56-A110 HydrophobicContact CG-CB 4.24Å; R56-T111 CarbonylContact C-O 3.56Å; R56-T111 VanDerWaalsContact CA-O 3.26Å; R56-T111 WeakPolarHBondContact CA-O 3.07Å; R56-Y112 HydrophobicContact CB-CD1 3.82Å; R56-Y112 HydrophobicContact CB-CE1 3.74Å; R56-Y112 HydrophobicContact CB-CE2 4.5Å; R56-Y112 HydrophobicContact CB-CG 4.24Å; R56-Y112 HydrophobicContact CG-CE1 4.45Å
57	Q	97.7	Very high	97	Very high	86 Å²	86	60.1 Å²	60.1	40%	0.402	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	105.5	167.7	-170.6	176.2	22.8	0	0	108.7	G62 L63 A110 T111 Y113	Q57-G62 WeakPolarHBondContact CA-O 3.11Å; Q57-L63 HydrophobicContact CB-CD2 3.82Å; Q57-L63 HydrophobicContact CG-CD2 4.26Å; Q57-A110 WeakPolarHBondContact O-CA 3.36Å; Q57-A110 VanDerWaalsContact O-CB 3.26Å; Q57-A110 WeakPolarHBondContact O-CB 3.34Å; Q57-T111 PolarHBondContact N-O 3.04Å; Q57-T111 PolarHBondContact O-N 3.36Å; Q57-Y113 HydrophobicContact CB-CE2 3.9Å
58	V	96.2	Very high	97.1	Very high	23 Å²	23	61.6 Å²	61.6	14%	0.139	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	131.8	176.5	-177.3	0	0	0	0	108	R56 E60 K61 G62 A110	R56-V58 HydrophobicContact CG-CG2 4.02Å; V58-E60 PolarHBondContact O-N 3.46Å; V58-K61 HydrophobicContact CB-CB 4.05Å; V58-K61 HydrophobicContact CG1-CB 4.11Å; V58-K61 PolarHBondContact O-N 2.93Å; V58-G62 PolarHBondContact N-O 3.1Å; V58-G62 PolarHBondContact O-N 2.93Å; V58-G62 VanDerWaalsContact O-N 3.1Å; V58-A110 HydrophobicContact CG2-CB 4.16Å
59	P	95.1	Very high	97.2	Very high	89 Å²	89	59.7 Å²	59.7	58%	0.578	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	133.4	173.9	-26.7	34.8	0	0	0	110.7	K61 T109	P59-K61 PolarHBondContact O-N 3.5Å; P59-T109 WeakPolarHBondContact CD-O 3.01Å
60	E	93.4	Very high	97.2	Very high	212 Å²	212	55 Å²	55	99%	0.991	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	-17.2	178.8	-51.8	178.6	174.8	0	0	117.2	V58	V58-E60 PolarHBondContact O-N 3.46Å
61	K	93.9	Very high	97.2	Very high	137 Å²	137	56 Å²	56	60%	0.596	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-22.9	-179.9	-178.1	-178.8	173.2	-163.2	0	113.6	V58 P59 E64	V58-K61 HydrophobicContact CB-CB 4.05Å; V58-K61 HydrophobicContact CG1-CB 4.11Å; V58-K61 PolarHBondContact O-N 2.93Å; P59-K61 PolarHBondContact O-N 3.5Å; K61-E64 IonicContact NZ-OE1 3.27Å; K61-E64 PolarHBondContact NZ-OE1 2.91Å; K61-E64 IonicContact NZ-OE2 2.72Å
62	G	95	Very high	97.1	Very high	29 Å²	29	54.1 Å²	54.1	30%	0.299	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	92.2	-155	179	0	0	0	0	0	113.5	Q57 V58	Q57-G62 WeakPolarHBondContact CA-O 3.11Å; V58-G62 PolarHBondContact N-O 3.1Å; V58-G62 PolarHBondContact O-N 2.93Å; V58-G62 VanDerWaalsContact O-N 3.1Å
63	L	97	Very high	97	Very high	126 Å²	126	55.5 Å²	55.5	66%	0.66	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	136.2	-176.2	-68.8	169.7	0	0	0	111.9	V55 R56 Q57	V55-L63 HydrophobicContact CG1-CB 4.25Å; V55-L63 HydrophobicContact CG1-CD2 3.94Å; R56-L63 CarbonylContact O-C 3.54Å; R56-L63 WeakPolarHBondContact O-CA 3.46Å; Q57-L63 HydrophobicContact CB-CD2 3.82Å; Q57-L63 HydrophobicContact CG-CD2 4.26Å
64	E	97.2	Very high	96.9	Very high	37 Å²	37	58.8 Å²	58.8	17%	0.173	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	130.7	177.1	-173.2	176.3	-116.8	0	0	109.5	V55 R56 K61 L79	V55-E64 WeakPolarHBondContact CA-O 3.5Å; V55-E64 WeakPolarHBondContact CG1-O 3.34Å; R56-E64 HydrophobicContact CG-CB 4.23Å; R56-E64 IonicContact CZ-OE2 2.91Å; R56-E64 VanDerWaalsContact CZ-OE2 3.25Å; R56-E64 PolarHBondContact N-O 3.35Å; R56-E64 IonicContact NE-OE2 2.71Å; R56-E64 PolarHBondContact NE-OE2 2.95Å; R56-E64 IonicContact NH2-OE2 3.83Å; R56-E64 PolarHBondContact NH2-OE2 2.83Å; R56-E64 PolarHBondContact O-N 3.48Å; K61-E64 IonicContact NZ-OE1 3.27Å; K61-E64 PolarHBondContact NZ-OE1 2.91Å; K61-E64 IonicContact NZ-OE2 2.72Å; E64-L79 VanDerWaalsContact CD-CD2 3.43Å; E64-L79 HydrophobicContact CG-CD2 3.84Å
65	W	97.7	Very high	96.9	Very high	93 Å²	93	61 Å²	61	35%	0.352	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	136.1	173.5	171	86.9	0	0	0	110.4	A67 N68 Y77 Y78 L79	W65-A67 PolarHBondContact NE1-O 2.93Å; W65-N68 HydrophobicContact CZ2-CB 4.29Å; W65-N68 VanDerWaalsContact CZ2-OD1 3.23Å; W65-N68 WeakPolarHBondContact CZ2-OD1 3.41Å; W65-Y77 WeakPolarHBondContact CZ2-O 3.23Å; W65-Y78 VanDerWaalsContact CH2-CA 3.48Å; W65-Y78 VanDerWaalsContact CH2-N 3.34Å; W65-Y78 WeakPolarHBondContact CZ3-O 3.21Å; W65-L79 HydrophobicContact CE3-CB 4.24Å; W65-L79 HydrophobicContact CZ3-CB 4.21Å
66	V	98.2	Very high	96.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-54.5	-175.4	171.7	0	0	0	0	111.6	W54 R56 Y78 L79 L82 F86 L99 Y112	W54-V66 HydrophobicContact CB-CB 4.12Å; W54-V66 HydrophobicContact CB-CG1 4.38Å; W54-V66 WeakPolarHBondContact O-CB 3.31Å; W54-V66 PolarHBondContact O-N 2.72Å; R56-V66 HydrophobicContact CB-CG2 3.78Å; R56-V66 HydrophobicContact CG-CG2 3.56Å; V66-Y78 CarbonylContact O-C 3.57Å; V66-Y78 WeakPolarHBondContact O-CA 3.33Å; V66-L79 PolarHBondContact O-N 3.4Å; V66-L82 HydrophobicContact CB-CD1 4.34Å; V66-L82 HydrophobicContact CG1-CD1 3.8Å; V66-L82 HydrophobicContact CG2-CD1 4.21Å; V66-F86 HydrophobicContact CG1-CD2 3.77Å; V66-F86 HydrophobicContact CG1-CE2 4.28Å; V66-L99 HydrophobicContact CG1-CD1 4.39Å; V66-L99 HydrophobicContact CG1-CD2 4.14Å; V66-Y112 HydrophobicContact CG2-CD1 4.5Å; V66-Y112 HydrophobicContact CG2-CE1 4.16Å
67	A	98.5	Very high	97	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	156.3	-177.3	0	0	0	0	0	110.7	A53 W54 W65 Y77 Y78 I88	A53-A67 CarbonylContact C-O 3.59Å; A53-A67 WeakPolarHBondContact CA-O 3.45Å; A53-A67 WeakPolarHBondContact CB-O 3.39Å; W54-A67 PolarHBondContact N-O 2.71Å; W54-A67 PolarHBondContact O-N 2.91Å; W65-A67 PolarHBondContact NE1-O 2.93Å; A67-Y77 CarbonylContact C-O 3.5Å; A67-Y77 WeakPolarHBondContact CA-O 3.43Å; A67-Y77 WeakPolarHBondContact CB-O 3.23Å; A67-Y78 HydrophobicContact CB-CD1 3.62Å; A67-Y78 HydrophobicContact CB-CE1 4Å; A67-Y78 HydrophobicContact CB-CG 4.34Å; A67-I88 HydrophobicContact CB-CB 4.07Å; A67-I88 HydrophobicContact CB-CD1 4.13Å; A67-I88 HydrophobicContact CB-CG2 4.14Å
68	N	98.4	Very high	97	Very high	32 Å²	32	66 Å²	66	17%	0.171	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	156.5	167.1	77.8	-89.2	0	0	0	112	M52 A53 W65 T76 Y77	M52-N68 CarbonylContact O-C 3.45Å; M52-N68 VanDerWaalsContact O-CA 3.23Å; M52-N68 WeakPolarHBondContact O-CA 3.31Å; M52-N68 WeakPolarHBondContact O-CB 3.41Å; A53-N68 HydrophobicContact CB-CB 3.91Å; W65-N68 HydrophobicContact CZ2-CB 4.29Å; W65-N68 VanDerWaalsContact CZ2-OD1 3.23Å; W65-N68 WeakPolarHBondContact CZ2-OD1 3.41Å; N68-T76 VanDerWaalsContact O-CA 3.31Å; N68-T76 WeakPolarHBondContact O-CA 3.29Å; N68-Y77 PolarHBondContact N-O 2.93Å; N68-Y77 PolarHBondContact O-N 3.45Å; N68-Y77 WeakPolarHBondContact OD1-CB 3.39Å
69	I	98.7	Very high	97	Very high	5 Å²	5	66.7 Å²	66.7	3%	0.026	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139	178.6	-171.4	162.1	0	0	0	108.9	Y51 M52 S75 T76 I88 R90 L97	Y51-I69 WeakPolarHBondContact CA-O 3.3Å; M52-I69 HydrophobicContact CB-CG2 4.06Å; M52-I69 PolarHBondContact N-O 2.86Å; M52-I69 PolarHBondContact O-N 3.03Å; I69-S75 WeakPolarHBondContact CA-O 3.44Å; I69-T76 HydrophobicContact CB-CG2 4.25Å; I69-T76 HydrophobicContact CD1-CG2 3.9Å; I69-T76 HydrophobicContact CG1-CG2 3.89Å; I69-I88 HydrophobicContact CB-CD1 4.02Å; I69-I88 HydrophobicContact CB-CG1 4.22Å; I69-I88 HydrophobicContact CB-CG2 4.11Å; I69-I88 HydrophobicContact CG2-CD1 3.77Å; I69-I88 HydrophobicContact CG2-CG1 4.04Å; I69-R90 HydrophobicContact CD1-CB 4.32Å; I69-R90 HydrophobicContact CD1-CG 3.8Å; I69-R90 HydrophobicContact CG1-CG 4.43Å; I69-L97 HydrophobicContact CG2-CD1 3.59Å
70	N	98	Very high	97.1	Very high	7 Å²	7	69.2 Å²	69.2	4%	0.037	35%	0.354	C	S	.	.			trans	-75	175.9	176	71	-21.1	0	0	0	112.2	Y51 D72 G73 S74 S75 R90	Y51-N70 VanDerWaalsContact CD1-CA 3.47Å; Y51-N70 HydrophobicContact CD1-CB 3.8Å; Y51-N70 HydrophobicContact CE1-CB 3.27Å; Y51-N70 HydrophobicContact CE2-CB 4.45Å; N70-D72 PolarHBondContact ND2-OD1 2.95Å; N70-D72 PolarHBondContact O-N 2.72Å; N70-D72 PolarHBondContact OD1-OD1 2.94Å; N70-G73 PolarHBondContact O-N 2.74Å; N70-G73 VanDerWaalsContact OD1-C 3.24Å; N70-G73 VanDerWaalsContact OD1-CA 3.29Å; N70-G73 WeakPolarHBondContact OD1-CA 3.4Å; N70-G73 PolarHBondContact OD1-N 2.77Å; N70-G73 VanDerWaalsContact OD1-N 3.09Å; N70-S74 PolarHBondContact ND2-OG 2.75Å; N70-S74 PolarHBondContact OD1-N 2.92Å; N70-S75 PolarHBondContact N-O 2.85Å; N70-S75 PolarHBondContact ND2-N 3.06Å; N70-S75 PolarHBondContact OD1-N 3.09Å; N70-S75 PolarHBondContact OD1-O 3.41Å; N70-R90 WeakPolarHBondContact O-CD 3.32Å; N70-R90 PolarHBondContact O-NH1 3Å
71	Y	97.4	Very high	97.2	Very high	117 Å²	117	62.7 Å²	62.7	46%	0.459	33%	0.332	S	S	.	.	S	Bend	trans	-62.4	-35.3	-168.7	66.4	-98.1	0	0	0	114.2	S48 Y51 R90 N92	S48-Y71 WeakPolarHBondContact O-CB 3.35Å; Y51-Y71 HydrophobicContact CE2-CD1 4.32Å; Y71-R90 VanDerWaalsContact CA-NH1 3.29Å; Y71-R90 PolarHBondContact O-NE 2.92Å; Y71-R90 PolarHBondContact O-NH1 2.75Å; Y71-R90 PolarHBondContact O-NH2 3.17Å; Y71-N92 PolarHBondContact O-ND2 3.48Å; Y71-N92 VanDerWaalsContact O-ND2 3.12Å
72	D	94.7	Very high	97.3	Very high	80 Å²	80	56.2 Å²	56.2	43%	0.428	30%	0.304	S	S	.	.	S	Bend	trans	-96.3	-10.7	178	67.2	-7.7	0	0	0	113.4	N70 S74	N70-D72 PolarHBondContact ND2-OD1 2.95Å; N70-D72 PolarHBondContact O-N 2.72Å; N70-D72 PolarHBondContact OD1-OD1 2.94Å; D72-S74 WeakPolarHBondContact OD1-CB 3.37Å; D72-S74 PolarHBondContact OD1-N 3.02Å; D72-S74 PolarHBondContact OD1-OG 3.38Å; D72-S74 WeakPolarHBondContact OD2-CB 3.48Å; D72-S74 PolarHBondContact OD2-OG 3.24Å
73	G	97	Very high	97.3	Very high	29 Å²	29	61.3 Å²	61.3	30%	0.299	32%	0.318	S	S	.	.	S	Bend	trans	83.6	6.1	-177.6	0	0	0	0	0	115.5	N70 S75	N70-G73 PolarHBondContact O-N 2.74Å; N70-G73 VanDerWaalsContact OD1-C 3.24Å; N70-G73 VanDerWaalsContact OD1-CA 3.29Å; N70-G73 WeakPolarHBondContact OD1-CA 3.4Å; N70-G73 PolarHBondContact OD1-N 2.77Å; N70-G73 VanDerWaalsContact OD1-N 3.09Å; G73-S75 VanDerWaalsContact C-N 3.34Å; G73-S75 PolarHBondContact O-N 2.97Å
74	S	97	Very high	97.3	Very high	85 Å²	85	60.5 Å²	60.5	59%	0.594	32%	0.322	S	S	*	.	S	Bend	trans	-74.4	-19.9	-178.8	62.2	0	0	0	0	114.4	N70 D72	N70-S74 PolarHBondContact ND2-OG 2.75Å; N70-S74 PolarHBondContact OD1-N 2.92Å; D72-S74 WeakPolarHBondContact OD1-CB 3.37Å; D72-S74 PolarHBondContact OD1-N 3.02Å; D72-S74 PolarHBondContact OD1-OG 3.38Å; D72-S74 WeakPolarHBondContact OD2-CB 3.48Å; D72-S74 PolarHBondContact OD2-OG 3.24Å
75	S	98.1	Very high	97.3	Very high	48 Å²	48	59.9 Å²	59.9	34%	0.336	32%	0.318	S	S	.	.			trans	-131.3	129.9	-178.2	-63.4	0	0	0	0	111.8	I69 N70 G73	I69-S75 WeakPolarHBondContact CA-O 3.44Å; N70-S75 PolarHBondContact N-O 2.85Å; N70-S75 PolarHBondContact ND2-N 3.06Å; N70-S75 PolarHBondContact OD1-N 3.09Å; N70-S75 PolarHBondContact OD1-O 3.41Å; G73-S75 VanDerWaalsContact C-N 3.34Å; G73-S75 PolarHBondContact O-N 2.97Å
76	T	98.5	Very high	97.3	Very high	59 Å²	59	55.5 Å²	55.5	36%	0.362	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.9	178.6	57.1	0	0	0	0	111.1	N68 I69 Y78 I88	N68-T76 VanDerWaalsContact O-CA 3.31Å; N68-T76 WeakPolarHBondContact O-CA 3.29Å; I69-T76 HydrophobicContact CB-CG2 4.25Å; I69-T76 HydrophobicContact CD1-CG2 3.9Å; I69-T76 HydrophobicContact CG1-CG2 3.89Å; T76-Y78 WeakPolarHBondContact OG1-CE2 3.36Å; T76-I88 HydrophobicContact CG2-CG2 3.74Å
77	Y	98.2	Very high	97.3	Very high	141 Å²	141	60.1 Å²	60.1	55%	0.553	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	149.9	173.2	-59.4	-93.9	0	0	0	109.5	W65 A67 N68	W65-Y77 WeakPolarHBondContact CZ2-O 3.23Å; A67-Y77 CarbonylContact C-O 3.5Å; A67-Y77 WeakPolarHBondContact CA-O 3.43Å; A67-Y77 WeakPolarHBondContact CB-O 3.23Å; N68-Y77 PolarHBondContact N-O 2.93Å; N68-Y77 PolarHBondContact O-N 3.45Å; N68-Y77 WeakPolarHBondContact OD1-CB 3.39Å
78	Y	98.5	Very high	97.4	Very high	37 Å²	37	60.3 Å²	60.3	15%	0.145	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	152.7	-176.3	-58.8	-93.5	0	0	0	110.7	W65 V66 A67 T76 D80 K83 F86 I88	W65-Y78 VanDerWaalsContact CH2-CA 3.48Å; W65-Y78 VanDerWaalsContact CH2-N 3.34Å; W65-Y78 WeakPolarHBondContact CZ3-O 3.21Å; V66-Y78 CarbonylContact O-C 3.57Å; V66-Y78 WeakPolarHBondContact O-CA 3.33Å; A67-Y78 HydrophobicContact CB-CD1 3.62Å; A67-Y78 HydrophobicContact CB-CE1 4Å; A67-Y78 HydrophobicContact CB-CG 4.34Å; T76-Y78 WeakPolarHBondContact OG1-CE2 3.36Å; Y78-D80 PolarHBondContact O-N 3.12Å; Y78-K83 HydrophobicContact CD2-CG 4.16Å; Y78-K83 HydrophobicContact CG-CB 4.43Å; Y78-K83 HydrophobicContact CG-CG 4.31Å; Y78-F86 WeakPolarHBondContact CE1-O 3.46Å; Y78-I88 HydrophobicContact CE1-CB 4.33Å; Y78-I88 HydrophobicContact CE1-CG2 3.91Å; Y78-I88 PolarHBondContact OH-N 3.24Å
79	L	97.1	Very high	97.4	Very high	38 Å²	38	61 Å²	61	20%	0.199	33%	0.334	C	S	.	.			trans	-61.3	131.4	163.8	-175	67.2	0	0	0	108.8	E64 W65 V66 S81 L82 K83	E64-L79 VanDerWaalsContact CD-CD2 3.43Å; E64-L79 HydrophobicContact CG-CD2 3.84Å; W65-L79 HydrophobicContact CE3-CB 4.24Å; W65-L79 HydrophobicContact CZ3-CB 4.21Å; V66-L79 PolarHBondContact O-N 3.4Å; L79-S81 WeakPolarHBondContact CD2-OG 3.43Å; L79-S81 PolarHBondContact O-N 3.32Å; L79-S81 VanDerWaalsContact O-N 3.11Å; L79-L82 HydrophobicContact CB-CB 4.47Å; L79-L82 HydrophobicContact CB-CD1 4.2Å; L79-L82 HydrophobicContact CB-CG 4.3Å; L79-L82 HydrophobicContact CD2-CD1 3.93Å; L79-L82 HydrophobicContact CD2-CG 4.13Å; L79-L82 WeakPolarHBondContact O-CA 3.49Å; L79-L82 PolarHBondContact O-N 2.77Å; L79-K83 PolarHBondContact O-N 2.85Å
80	D	96.8	Very high	97.3	Very high	141 Å²	141	62.4 Å²	62.4	75%	0.754	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-37.7	-171	-72.7	-27.8	0	0	0	113.3	Y78 L82	Y78-D80 PolarHBondContact O-N 3.12Å; D80-L82 PolarHBondContact O-N 3.47Å
81	S	95.2	Very high	97.3	Very high	75 Å²	75	63.9 Å²	63.9	52%	0.524	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.7	178.4	60.6	0	0	0	0	114.4	L79	L79-S81 WeakPolarHBondContact CD2-OG 3.43Å; L79-S81 PolarHBondContact O-N 3.32Å; L79-S81 VanDerWaalsContact O-N 3.11Å
82	L	96.7	Very high	97.3	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-18.2	-175.1	-55.1	-179.3	0	0	0	113.1	V66 L79 D80 S84 R85 F86 D108	V66-L82 HydrophobicContact CB-CD1 4.34Å; V66-L82 HydrophobicContact CG1-CD1 3.8Å; V66-L82 HydrophobicContact CG2-CD1 4.21Å; L79-L82 HydrophobicContact CB-CB 4.47Å; L79-L82 HydrophobicContact CB-CD1 4.2Å; L79-L82 HydrophobicContact CB-CG 4.3Å; L79-L82 HydrophobicContact CD2-CD1 3.93Å; L79-L82 HydrophobicContact CD2-CG 4.13Å; L79-L82 WeakPolarHBondContact O-CA 3.49Å; L79-L82 PolarHBondContact O-N 2.77Å; D80-L82 PolarHBondContact O-N 3.47Å; L82-S84 PolarHBondContact O-N 2.85Å; L82-R85 PolarHBondContact O-N 2.78Å; L82-F86 HydrophobicContact CB-CB 4.32Å; L82-F86 HydrophobicContact CB-CD2 4.08Å; L82-F86 HydrophobicContact CB-CG 4.1Å; L82-F86 HydrophobicContact CD1-CD2 3.93Å; L82-F86 HydrophobicContact CD1-CE2 3.88Å; L82-F86 HydrophobicContact CD2-CE1 4.49Å; L82-F86 HydrophobicContact CD2-CE2 4.19Å; L82-F86 HydrophobicContact CD2-CZ 4.17Å; L82-F86 HydrophobicContact CG-CD2 4.4Å; L82-F86 HydrophobicContact CG-CE2 4.44Å; L82-F86 PolarHBondContact O-N 2.86Å; L82-D108 WeakPolarHBondContact CD2-OD1 3.42Å
83	K	95.1	Very high	97.4	Very high	137 Å²	137	61.9 Å²	61.9	60%	0.596	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-30.3	-172.8	-174.2	174.7	-179.7	178	0	115.2	Y78 L79	Y78-K83 HydrophobicContact CD2-CG 4.16Å; Y78-K83 HydrophobicContact CG-CB 4.43Å; Y78-K83 HydrophobicContact CG-CG 4.31Å; L79-K83 PolarHBondContact O-N 2.85Å
84	S	96.2	Very high	97.5	Very high	108 Å²	108	66.4 Å²	66.4	76%	0.755	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-13.3	-179.9	59.1	0	0	0	0	114.5	L82	L82-S84 PolarHBondContact O-N 2.85Å
85	R	97.8	Very high	97.5	Very high	24 Å²	24	65.1 Å²	65.1	9%	0.091	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-28.8	-170.2	-65.9	-174.2	-56	113	-2.7	113	L82 S102 S103 D108	L82-R85 PolarHBondContact O-N 2.78Å; R85-S102 WeakPolarHBondContact CA-OG 3.42Å; R85-S102 WeakPolarHBondContact CB-O 3.26Å; R85-S102 PolarHBondContact NH1-O 2.92Å; R85-S102 PolarHBondContact O-N 2.81Å; R85-S102 PolarHBondContact O-OG 3.2Å; R85-S103 PolarHBondContact NH1-O 2.91Å; R85-S103 VanDerWaalsContact NH1-O 3.12Å; R85-D108 IonicContact CZ-OD1 3.85Å; R85-D108 IonicContact CZ-OD2 3.3Å; R85-D108 VanDerWaalsContact CZ-OD2 3.3Å; R85-D108 IonicContact NH1-OD1 3.86Å; R85-D108 IonicContact NH1-OD2 2.68Å; R85-D108 PolarHBondContact NH1-OD2 2.89Å; R85-D108 IonicContact NH2-OD1 2.89Å; R85-D108 PolarHBondContact NH2-OD1 3.22Å; R85-D108 IonicContact NH2-OD2 3.07Å; R85-D108 PolarHBondContact NH2-OD2 3.1Å
86	F	98.1	Very high	97.5	Very high	1 Å²	1	64 Å²	64	0%	0.004	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	138	-173	-72.9	22.3	0	0	0	109.4	V66 Y78 L82 L99 Q100 M101 L104 D108 Y112	V66-F86 HydrophobicContact CG1-CD2 3.77Å; V66-F86 HydrophobicContact CG1-CE2 4.28Å; Y78-F86 WeakPolarHBondContact CE1-O 3.46Å; L82-F86 HydrophobicContact CB-CB 4.32Å; L82-F86 HydrophobicContact CB-CD2 4.08Å; L82-F86 HydrophobicContact CB-CG 4.1Å; L82-F86 HydrophobicContact CD1-CD2 3.93Å; L82-F86 HydrophobicContact CD1-CE2 3.88Å; L82-F86 HydrophobicContact CD2-CE1 4.49Å; L82-F86 HydrophobicContact CD2-CE2 4.19Å; L82-F86 HydrophobicContact CD2-CZ 4.17Å; L82-F86 HydrophobicContact CG-CD2 4.4Å; L82-F86 HydrophobicContact CG-CE2 4.44Å; L82-F86 PolarHBondContact O-N 2.86Å; F86-L99 HydrophobicContact CB-CD1 4.31Å; F86-L99 HydrophobicContact CD2-CD1 4.39Å; F86-L99 HydrophobicContact CD2-CD2 4.18Å; F86-L99 HydrophobicContact CD2-CG 4.47Å; F86-L99 HydrophobicContact CE2-CD2 4.48Å; F86-Q100 CarbonylContact C-O 3.4Å; F86-Q100 VanDerWaalsContact CA-O 3.29Å; F86-Q100 WeakPolarHBondContact CA-O 3.41Å; F86-M101 HydrophobicContact CD1-CB 3.88Å; F86-M101 HydrophobicContact CD1-CG 3.95Å; F86-M101 HydrophobicContact CD2-CG 3.94Å; F86-M101 HydrophobicContact CD2-SD 4.42Å; F86-M101 HydrophobicContact CE1-CB 3.68Å; F86-M101 HydrophobicContact CE1-CG 3.85Å; F86-M101 HydrophobicContact CE1-SD 4.44Å; F86-M101 HydrophobicContact CE2-CG 3.82Å; F86-M101 HydrophobicContact CE2-SD 3.81Å; F86-M101 HydrophobicContact CG-CB 4.43Å; F86-M101 HydrophobicContact CG-CG 4.01Å; F86-M101 HydrophobicContact CZ-CB 4.05Å; F86-M101 HydrophobicContact CZ-CG 3.79Å; F86-M101 HydrophobicContact CZ-SD 3.83Å; F86-L104 HydrophobicContact CE1-CD2 3.96Å; F86-L104 HydrophobicContact CZ-CD2 3.95Å; F86-D108 HydrophobicContact CZ-CB 4.25Å; F86-Y112 HydrophobicContact CE2-CE1 4.15Å
87	I	98.3	Very high	97.5	Very high	97 Å²	97	61.2 Å²	61.2	50%	0.497	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	111.1	179.6	-55.3	173.7	0	0	0	108.3	Q100	I87-Q100 HydrophobicContact CB-CB 4.22Å; I87-Q100 PolarHBondContact N-O 3.32Å; I87-Q100 PolarHBondContact O-N 3.33Å
88	I	98.7	Very high	97.5	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.026	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	138	169.3	-166.6	169.7	0	0	0	109.5	A67 I69 T76 Y78 L97 Y98 L99	A67-I88 HydrophobicContact CB-CB 4.07Å; A67-I88 HydrophobicContact CB-CD1 4.13Å; A67-I88 HydrophobicContact CB-CG2 4.14Å; I69-I88 HydrophobicContact CB-CD1 4.02Å; I69-I88 HydrophobicContact CB-CG1 4.22Å; I69-I88 HydrophobicContact CB-CG2 4.11Å; I69-I88 HydrophobicContact CG2-CD1 3.77Å; I69-I88 HydrophobicContact CG2-CG1 4.04Å; T76-I88 HydrophobicContact CG2-CG2 3.74Å; Y78-I88 HydrophobicContact CE1-CB 4.33Å; Y78-I88 HydrophobicContact CE1-CG2 3.91Å; Y78-I88 PolarHBondContact OH-N 3.24Å; I88-L97 HydrophobicContact CD1-CD1 4Å; I88-L97 HydrophobicContact CD1-CD2 4.49Å; I88-L97 HydrophobicContact CG1-CD1 3.91Å; I88-L97 HydrophobicContact CG1-CG 4.48Å; I88-Y98 WeakPolarHBondContact CA-O 3.36Å; I88-L99 HydrophobicContact CB-CD1 4.42Å
89	S	98.4	Very high	97.5	Very high	47 Å²	47	54.8 Å²	54.8	33%	0.329	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	163.1	172	53.6	0	0	0	0	110.2	Y98	S89-Y98 PolarHBondContact N-O 3.44Å; S89-Y98 PolarHBondContact O-N 2.96Å
90	R	98.4	Very high	97.6	Very high	33 Å²	33	56.3 Å²	56.3	13%	0.125	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147.9	-177.4	65.8	-174.7	-67.6	153.5	2.6	111.6	F47 Y50 I69 N70 Y71 N92 I96 L97	F47-R90 VanDerWaalsContact CD1-NH2 3.27Å; F47-R90 HydrophobicContact CE1-CB 4.12Å; F47-R90 VanDerWaalsContact CE1-NH2 3.29Å; F47-R90 HydrophobicContact CZ-CB 4.22Å; F47-R90 PolarHBondContact O-NH2 2.76Å; Y50-R90 PolarHBondContact O-NH1 2.84Å; I69-R90 HydrophobicContact CD1-CB 4.32Å; I69-R90 HydrophobicContact CD1-CG 3.8Å; I69-R90 HydrophobicContact CG1-CG 4.43Å; N70-R90 WeakPolarHBondContact O-CD 3.32Å; N70-R90 PolarHBondContact O-NH1 3Å; Y71-R90 VanDerWaalsContact CA-NH1 3.29Å; Y71-R90 PolarHBondContact O-NE 2.92Å; Y71-R90 PolarHBondContact O-NH1 2.75Å; Y71-R90 PolarHBondContact O-NH2 3.17Å; R90-N92 PolarHBondContact NE-OD1 3.1Å; R90-N92 PolarHBondContact NH2-OD1 2.9Å; R90-I96 CarbonylContact C-O 3.49Å; R90-I96 WeakPolarHBondContact CA-O 3.33Å; R90-L97 HydrophobicContact CB-CD1 4.25Å
91	D	97.9	Very high	97.6	Very high	39 Å²	39	49.8 Å²	49.8	21%	0.209	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	101.6	170.7	-175.6	-25.1	0	0	0	108.4	A93 K94 N95 I96 Y98	D91-A93 VanDerWaalsContact C-N 3.29Å; D91-A93 PolarHBondContact O-N 2.78Å; D91-A93 WeakPolarHBondContact OD1-CB 3.49Å; D91-A93 PolarHBondContact OD1-N 3.32Å; D91-K94 HydrophobicContact CB-CB 4.27Å; D91-K94 PolarHBondContact O-N 2.76Å; D91-K94 PolarHBondContact OD1-N 2.74Å; D91-K94 VanDerWaalsContact OD1-N 3.07Å; D91-K94 WeakPolarHBondContact OD2-CD 3.24Å; D91-K94 WeakPolarHBondContact OD2-CG 3.41Å; D91-K94 IonicContact OD2-NZ 3.25Å; D91-K94 PolarHBondContact OD2-NZ 3.25Å; D91-N95 PolarHBondContact O-N 3.02Å; D91-I96 PolarHBondContact N-O 2.89Å; D91-I96 PolarHBondContact O-N 3.07Å; D91-I96 VanDerWaalsContact O-N 3.1Å; D91-Y98 HydrophobicContact CB-CE2 4.07Å
92	N	97.4	Very high	97.7	Very high	59 Å²	59	48 Å²	48	32%	0.316	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-26.2	-178	-77.5	-12.1	0	0	0	113	F47 Y71 R90 K94 N95	F47-N92 WeakPolarHBondContact CD1-OD1 3.26Å; F47-N92 WeakPolarHBondContact CE1-OD1 3.36Å; Y71-N92 PolarHBondContact O-ND2 3.48Å; Y71-N92 VanDerWaalsContact O-ND2 3.12Å; R90-N92 PolarHBondContact NE-OD1 3.1Å; R90-N92 PolarHBondContact NH2-OD1 2.9Å; N92-K94 VanDerWaalsContact C-N 3.34Å; N92-N95 PolarHBondContact O-OD1 3.02Å
93	A	97	Very high	97.8	Very high	95 Å²	95	51 Å²	51	79%	0.785	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-30.3	177.5	0	0	0	0	0	111.5	D91	D91-A93 VanDerWaalsContact C-N 3.29Å; D91-A93 PolarHBondContact O-N 2.78Å; D91-A93 WeakPolarHBondContact OD1-CB 3.49Å; D91-A93 PolarHBondContact OD1-N 3.32Å
94	K	97.5	Very high	97.9	Very high	124 Å²	124	45.1 Å²	45.1	54%	0.539	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-8	178.9	-59.6	-168.2	-170.2	100.4	0	114.3	D91 N92 I96	D91-K94 HydrophobicContact CB-CB 4.27Å; D91-K94 PolarHBondContact O-N 2.76Å; D91-K94 PolarHBondContact OD1-N 2.74Å; D91-K94 VanDerWaalsContact OD1-N 3.07Å; D91-K94 WeakPolarHBondContact OD2-CD 3.24Å; D91-K94 WeakPolarHBondContact OD2-CG 3.41Å; D91-K94 IonicContact OD2-NZ 3.25Å; D91-K94 PolarHBondContact OD2-NZ 3.25Å; N92-K94 VanDerWaalsContact C-N 3.34Å; K94-I96 VanDerWaalsContact C-N 3.3Å; K94-I96 HydrophobicContact CB-CB 4.45Å; K94-I96 HydrophobicContact CB-CD1 3.78Å; K94-I96 HydrophobicContact CB-CG1 3.86Å; K94-I96 HydrophobicContact CD-CD1 4.28Å; K94-I96 WeakPolarHBondContact O-CG1 3.39Å; K94-I96 PolarHBondContact O-N 2.82Å
95	N	97.6	Very high	97.9	Very high	58 Å²	58	45.1 Å²	45.1	31%	0.31	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	42.2	-170.2	-54.9	-38.6	0	0	0	112.6	A42 F47 D91 N92	A42-N95 HydrophobicContact CB-CB 4.38Å; A42-N95 PolarHBondContact N-O 2.78Å; A42-N95 WeakPolarHBondContact O-CB 3.43Å; F47-N95 HydrophobicContact CB-CB 3.93Å; F47-N95 VanDerWaalsContact CB-OD1 3.26Å; F47-N95 WeakPolarHBondContact CB-OD1 3.49Å; F47-N95 HydrophobicContact CD1-CB 4.43Å; F47-N95 HydrophobicContact CG-CB 4.1Å; D91-N95 PolarHBondContact O-N 3.02Å; N92-N95 PolarHBondContact O-OD1 3.02Å
96	I	98.4	Very high	97.7	Very high	26 Å²	26	48.3 Å²	48.3	13%	0.133	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.5	-177.4	-56.9	174.7	0	0	0	110.7	C40 R90 D91 K94 Y98	C40-I96 WeakPolarHBondContact O-CA 3.34Å; R90-I96 CarbonylContact C-O 3.49Å; R90-I96 WeakPolarHBondContact CA-O 3.33Å; D91-I96 PolarHBondContact N-O 2.89Å; D91-I96 PolarHBondContact O-N 3.07Å; D91-I96 VanDerWaalsContact O-N 3.1Å; K94-I96 VanDerWaalsContact C-N 3.3Å; K94-I96 HydrophobicContact CB-CB 4.45Å; K94-I96 HydrophobicContact CB-CD1 3.78Å; K94-I96 HydrophobicContact CB-CG1 3.86Å; K94-I96 HydrophobicContact CD-CD1 4.28Å; K94-I96 WeakPolarHBondContact O-CG1 3.39Å; K94-I96 PolarHBondContact O-N 2.82Å; I96-Y98 HydrophobicContact CB-CE1 4.4Å; I96-Y98 HydrophobicContact CB-CE2 4.11Å; I96-Y98 HydrophobicContact CG2-CD1 3.88Å; I96-Y98 HydrophobicContact CG2-CD2 4.29Å; I96-Y98 HydrophobicContact CG2-CE1 3.37Å; I96-Y98 HydrophobicContact CG2-CE2 3.81Å; I96-Y98 HydrophobicContact CG2-CG 4.32Å
97	L	98.7	Very high	97.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.8	166.3	-173.2	71	0	0	0	109.5	S39 C40 F47 M52 W54 I69 I88 R90 C114	S39-L97 CarbonylContact C-O 3.53Å; S39-L97 VanDerWaalsContact CA-O 3.24Å; S39-L97 WeakPolarHBondContact CA-O 3.32Å; C40-L97 HydrophobicContact CB-CB 4.28Å; C40-L97 PolarHBondContact N-O 3.21Å; C40-L97 PolarHBondContact O-N 3.43Å; F47-L97 HydrophobicContact CE2-CB 4.48Å; F47-L97 HydrophobicContact CZ-CB 4.24Å; M52-L97 HydrophobicContact CB-CD1 3.69Å; M52-L97 HydrophobicContact CB-CD2 3.89Å; M52-L97 HydrophobicContact CB-CG 4.32Å; M52-L97 HydrophobicContact CG-CD1 4.48Å; W54-L97 HydrophobicContact CD2-CD2 4.47Å; W54-L97 HydrophobicContact CG-CD2 4.34Å; W54-L97 VanDerWaalsContact NE1-CD2 3.3Å; I69-L97 HydrophobicContact CG2-CD1 3.59Å; I88-L97 HydrophobicContact CD1-CD1 4Å; I88-L97 HydrophobicContact CD1-CD2 4.49Å; I88-L97 HydrophobicContact CG1-CD1 3.91Å; I88-L97 HydrophobicContact CG1-CG 4.48Å; R90-L97 HydrophobicContact CB-CD1 4.25Å; L97-C114 HydrophobicContact CD2-CB 4.05Å
98	Y	98.5	Very high	97.4	Very high	43 Å²	43	50.7 Å²	50.7	17%	0.169	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	147	177.3	-60	-72	0	0	0	111.4	K37 L38 I88 S89 D91 I96	K37-Y98 HydrophobicContact CD-CD1 4.44Å; L38-Y98 VanDerWaalsContact O-CA 3.31Å; L38-Y98 WeakPolarHBondContact O-CA 3.35Å; I88-Y98 WeakPolarHBondContact CA-O 3.36Å; S89-Y98 PolarHBondContact N-O 3.44Å; S89-Y98 PolarHBondContact O-N 2.96Å; D91-Y98 HydrophobicContact CB-CE2 4.07Å; I96-Y98 HydrophobicContact CB-CE1 4.4Å; I96-Y98 HydrophobicContact CB-CE2 4.11Å; I96-Y98 HydrophobicContact CG2-CD1 3.88Å; I96-Y98 HydrophobicContact CG2-CD2 4.29Å; I96-Y98 HydrophobicContact CG2-CE1 3.37Å; I96-Y98 HydrophobicContact CG2-CE2 3.81Å; I96-Y98 HydrophobicContact CG2-CG 4.32Å
99	L	98.6	Very high	97.3	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	106.3	165.5	-170.8	66	0	0	0	108.6	K37 L38 W54 V66 F86 I88 M101 Y112	K37-L99 WeakPolarHBondContact CA-O 3.41Å; L38-L99 HydrophobicContact CB-CB 4.36Å; L38-L99 PolarHBondContact N-O 2.84Å; L38-L99 PolarHBondContact O-N 2.81Å; W54-L99 HydrophobicContact CB-CD2 4.19Å; W54-L99 HydrophobicContact CD2-CB 4.09Å; W54-L99 HydrophobicContact CD2-CD2 4.2Å; W54-L99 HydrophobicContact CG-CB 4.11Å; W54-L99 HydrophobicContact CG-CD1 4.38Å; W54-L99 HydrophobicContact CG-CD2 3.97Å; W54-L99 HydrophobicContact CG-CG 4.39Å; W54-L99 HydrophobicContact CZ2-CB 4.27Å; V66-L99 HydrophobicContact CG1-CD1 4.39Å; V66-L99 HydrophobicContact CG1-CD2 4.14Å; F86-L99 HydrophobicContact CB-CD1 4.31Å; F86-L99 HydrophobicContact CD2-CD1 4.39Å; F86-L99 HydrophobicContact CD2-CD2 4.18Å; F86-L99 HydrophobicContact CD2-CG 4.47Å; F86-L99 HydrophobicContact CE2-CD2 4.48Å; I88-L99 HydrophobicContact CB-CD1 4.42Å; L99-M101 HydrophobicContact CD2-CG 4.02Å; L99-M101 HydrophobicContact CD2-SD 3.9Å; L99-M101 HydrophobicContact CG-CG 3.88Å; L99-M101 HydrophobicContact CG-SD 4.38Å; L99-Y112 HydrophobicContact CD2-CD1 3.94Å; L99-Y112 HydrophobicContact CD2-CE1 4.09Å
100	Q	98	Very high	97.2	Very high	69 Å²	69	54 Å²	54	32%	0.322	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	123.8	169.9	-177.4	69.5	42.2	0	0	108.1	F86 I87	F86-Q100 CarbonylContact C-O 3.4Å; F86-Q100 VanDerWaalsContact CA-O 3.29Å; F86-Q100 WeakPolarHBondContact CA-O 3.41Å; I87-Q100 HydrophobicContact CB-CB 4.22Å; I87-Q100 PolarHBondContact N-O 3.32Å; I87-Q100 PolarHBondContact O-N 3.33Å
101	M	97.9	Very high	97.1	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.02	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.1	-179.8	-57.6	176.5	-64.6	0	0	108.8	S35 M36 L38 F86 L99 L104 Y112	S35-M101 CarbonylContact C-O 3.5Å; S35-M101 WeakPolarHBondContact CA-O 3.34Å; S35-M101 VanDerWaalsContact CB-O 3.26Å; S35-M101 WeakPolarHBondContact CB-O 3.3Å; M36-M101 HydrophobicContact CB-CE 3.84Å; M36-M101 HydrophobicContact CG-CE 3.77Å; M36-M101 PolarHBondContact N-O 3.2Å; M36-M101 PolarHBondContact O-N 3.32Å; M36-M101 HydrophobicContact SD-CE 3.93Å; L38-M101 HydrophobicContact CD1-CE 3.78Å; L38-M101 HydrophobicContact CD1-SD 4.28Å; L38-M101 HydrophobicContact CD2-CE 4.24Å; L38-M101 HydrophobicContact CG-CE 3.63Å; F86-M101 HydrophobicContact CD1-CB 3.88Å; F86-M101 HydrophobicContact CD1-CG 3.95Å; F86-M101 HydrophobicContact CD2-CG 3.94Å; F86-M101 HydrophobicContact CD2-SD 4.42Å; F86-M101 HydrophobicContact CE1-CB 3.68Å; F86-M101 HydrophobicContact CE1-CG 3.85Å; F86-M101 HydrophobicContact CE1-SD 4.44Å; F86-M101 HydrophobicContact CE2-CG 3.82Å; F86-M101 HydrophobicContact CE2-SD 3.81Å; F86-M101 HydrophobicContact CG-CB 4.43Å; F86-M101 HydrophobicContact CG-CG 4.01Å; F86-M101 HydrophobicContact CZ-CB 4.05Å; F86-M101 HydrophobicContact CZ-CG 3.79Å; F86-M101 HydrophobicContact CZ-SD 3.83Å; L99-M101 HydrophobicContact CD2-CG 4.02Å; L99-M101 HydrophobicContact CD2-SD 3.9Å; L99-M101 HydrophobicContact CG-CG 3.88Å; L99-M101 HydrophobicContact CG-SD 4.38Å; M101-L104 HydrophobicContact CB-CD1 4.37Å; M101-L104 HydrophobicContact CB-CD2 3.81Å; M101-L104 HydrophobicContact CB-CG 4.19Å; M101-L104 HydrophobicContact SD-CD2 4.26Å; M101-Y112 HydrophobicContact SD-CE1 4.15Å
102	S	97.6	Very high	97.1	Very high	37 Å²	37	55.4 Å²	55.4	26%	0.259	31%	0.312	S	S	.	.			trans	-116.5	158.1	176.5	69	0	0	0	0	111.9	S35 R85 L104	S35-S102 WeakPolarHBondContact OG-CA 3.39Å; R85-S102 WeakPolarHBondContact CA-OG 3.42Å; R85-S102 WeakPolarHBondContact CB-O 3.26Å; R85-S102 PolarHBondContact NH1-O 2.92Å; R85-S102 PolarHBondContact O-N 2.81Å; R85-S102 PolarHBondContact O-OG 3.2Å; S102-L104 VanDerWaalsContact C-N 3.28Å; S102-L104 PolarHBondContact O-N 2.95Å
103	S	97	Very high	97.2	Very high	66 Å²	66	57 Å²	57	46%	0.462	31%	0.314	S	S	.	.	S	Bend	trans	47.6	50.9	177.3	-57.1	0	0	0	0	112.4	S34 R85	S34-S103 PolarHBondContact O-N 2.01Å; R85-S103 PolarHBondContact NH1-O 2.91Å; R85-S103 VanDerWaalsContact NH1-O 3.12Å
104	L	97.3	Very high	97.2	Very high	13 Å²	13	53 Å²	53	7%	0.068	28%	0.28	C	S	.	.			trans	-61.3	138.1	-175	-78.3	168	0	0	0	111.7	V30 P32 G33 S34 M36 F86 M101 S102 D108	V30-L104 HydrophobicContact CG2-CD1 3.66Å; P32-L104 CarbonylContact C-O 3.56Å; P32-L104 WeakPolarHBondContact CA-O 3.26Å; G33-L104 PolarHBondContact N-O 2.85Å; S34-L104 PolarHBondContact O-N 2.85Å; M36-L104 HydrophobicContact CB-CD1 3.85Å; F86-L104 HydrophobicContact CE1-CD2 3.96Å; F86-L104 HydrophobicContact CZ-CD2 3.95Å; M101-L104 HydrophobicContact CB-CD1 4.37Å; M101-L104 HydrophobicContact CB-CD2 3.81Å; M101-L104 HydrophobicContact CB-CG 4.19Å; M101-L104 HydrophobicContact SD-CD2 4.26Å; S102-L104 VanDerWaalsContact C-N 3.28Å; S102-L104 PolarHBondContact O-N 2.95Å; L104-D108 HydrophobicContact CD2-CB 3.75Å
105	K	95.9	Very high	97.2	Very high	107 Å²	107	48.6 Å²	48.6	47%	0.465	27%	0.267	S	S	.	.			trans	-109.4	163.7	177.1	-58.9	178.9	-177.4	-179.2	0	109.9	E107 D108	K105-E107 HydrophobicContact CB-CB 4.45Å; K105-E107 PolarHBondContact O-N 3.1Å; K105-D108 PolarHBondContact N-OD2 3.21Å; K105-D108 WeakPolarHBondContact O-CB 3.41Å; K105-D108 PolarHBondContact O-N 2.86Å
106	S	94.2	Very high	97	Very high	91 Å²	91	51.5 Å²	51.5	64%	0.636	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-55	-37	171.5	48.7	0	0	0	0	111.9	D108 T109	S106-D108 PolarHBondContact O-N 2.87Å; S106-T109 VanDerWaalsContact O-CB 3.26Å; S106-T109 WeakPolarHBondContact O-CB 2.94Å; S106-T109 PolarHBondContact O-N 3.04Å; S106-T109 VanDerWaalsContact O-N 3.1Å; S106-T109 PolarHBondContact O-OG1 3.49Å
107	E	94.4	Very high	96.9	Very high	140 Å²	140	52.8 Å²	52.8	65%	0.654	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-60.6	-19.5	175.4	-63	165.9	-134.9	0	0	114.4	K105 T109	K105-E107 HydrophobicContact CB-CB 4.45Å; K105-E107 PolarHBondContact O-N 3.1Å; E107-T109 VanDerWaalsContact C-N 3.28Å
108	D	96	Very high	96.8	Very high	8 Å²	8	55.5 Å²	55.5	4%	0.043	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-85.5	-2.4	178.4	-60.9	-47.1	0	0	0	112.9	R56 L82 R85 F86 L104 K105 S106 A110 Y112	R56-D108 IonicContact NH1-OD1 2.72Å; R56-D108 PolarHBondContact NH1-OD1 3.35Å; L82-D108 WeakPolarHBondContact CD2-OD1 3.42Å; R85-D108 IonicContact CZ-OD1 3.85Å; R85-D108 IonicContact CZ-OD2 3.3Å; R85-D108 VanDerWaalsContact CZ-OD2 3.3Å; R85-D108 IonicContact NH1-OD1 3.86Å; R85-D108 IonicContact NH1-OD2 2.68Å; R85-D108 PolarHBondContact NH1-OD2 2.89Å; R85-D108 IonicContact NH2-OD1 2.89Å; R85-D108 PolarHBondContact NH2-OD1 3.22Å; R85-D108 IonicContact NH2-OD2 3.07Å; R85-D108 PolarHBondContact NH2-OD2 3.1Å; F86-D108 HydrophobicContact CZ-CB 4.25Å; L104-D108 HydrophobicContact CD2-CB 3.75Å; K105-D108 PolarHBondContact N-OD2 3.21Å; K105-D108 WeakPolarHBondContact O-CB 3.41Å; K105-D108 PolarHBondContact O-N 2.86Å; S106-D108 PolarHBondContact O-N 2.87Å; D108-A110 PolarHBondContact O-N 3.37Å; D108-A110 VanDerWaalsContact O-N 3.17Å; D108-Y112 WeakPolarHBondContact O-CE2 3.38Å; D108-Y112 PolarHBondContact O-OH 2.78Å
109	T	96	Very high	96.8	Very high	97 Å²	97	56.2 Å²	56.2	60%	0.595	30%	0.302	S	S	*	.			trans	-67.7	110.4	176.9	-53.2	0	0	0	0	109.7	P59 S106 E107	P59-T109 WeakPolarHBondContact CD-O 3.01Å; S106-T109 VanDerWaalsContact O-CB 3.26Å; S106-T109 WeakPolarHBondContact O-CB 2.94Å; S106-T109 PolarHBondContact O-N 3.04Å; S106-T109 VanDerWaalsContact O-N 3.1Å; S106-T109 PolarHBondContact O-OG1 3.49Å; E107-T109 VanDerWaalsContact C-N 3.28Å
110	A	96.9	Very high	96.6	Very high	24 Å²	24	59.5 Å²	59.5	20%	0.198	32%	0.32	C	S	.	.	S	Bend	trans	-160.5	164	-176.4	0	0	0	0	0	109.8	R56 Q57 V58 D108 Y112	R56-A110 HydrophobicContact CB-CB 3.85Å; R56-A110 HydrophobicContact CG-CB 4.24Å; Q57-A110 WeakPolarHBondContact O-CA 3.36Å; Q57-A110 VanDerWaalsContact O-CB 3.26Å; Q57-A110 WeakPolarHBondContact O-CB 3.34Å; V58-A110 HydrophobicContact CG2-CB 4.16Å; D108-A110 PolarHBondContact O-N 3.37Å; D108-A110 VanDerWaalsContact O-N 3.17Å; A110-Y112 HydrophobicContact CB-CD2 4.34Å; A110-Y112 HydrophobicContact CB-CE2 3.83Å; A110-Y112 VanDerWaalsContact O-CD2 3.3Å; A110-Y112 WeakPolarHBondContact O-CD2 3.33Å
111	T	97.1	Very high	96.6	Very high	74 Å²	74	58.9 Å²	58.9	45%	0.454	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.8	163.1	-51.2	0	0	0	0	108.4	R56 Q57 Y113	R56-T111 CarbonylContact C-O 3.56Å; R56-T111 VanDerWaalsContact CA-O 3.26Å; R56-T111 WeakPolarHBondContact CA-O 3.07Å; Q57-T111 PolarHBondContact N-O 3.04Å; Q57-T111 PolarHBondContact O-N 3.36Å; T111-Y113 HydrophobicContact CG2-CD2 4.45Å; T111-Y113 HydrophobicContact CG2-CE1 3.92Å; T111-Y113 HydrophobicContact CG2-CE2 3.68Å; T111-Y113 WeakPolarHBondContact CG2-OH 3.17Å
112	Y	97.9	Very high	96.5	Very high	29 Å²	29	62.6 Å²	62.6	11%	0.114	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.6	-179.7	-72.4	-101.1	0	0	0	109.9	L38 R56 V66 F86 L99 M101 D108 A110	L38-Y112 HydrophobicContact CD1-CD1 4.17Å; L38-Y112 HydrophobicContact CD1-CD2 4.09Å; L38-Y112 HydrophobicContact CD1-CG 3.68Å; R56-Y112 HydrophobicContact CB-CD1 3.82Å; R56-Y112 HydrophobicContact CB-CE1 3.74Å; R56-Y112 HydrophobicContact CB-CE2 4.5Å; R56-Y112 HydrophobicContact CB-CG 4.24Å; R56-Y112 HydrophobicContact CG-CE1 4.45Å; V66-Y112 HydrophobicContact CG2-CD1 4.5Å; V66-Y112 HydrophobicContact CG2-CE1 4.16Å; F86-Y112 HydrophobicContact CE2-CE1 4.15Å; L99-Y112 HydrophobicContact CD2-CD1 3.94Å; L99-Y112 HydrophobicContact CD2-CE1 4.09Å; M101-Y112 HydrophobicContact SD-CE1 4.15Å; D108-Y112 WeakPolarHBondContact O-CE2 3.38Å; D108-Y112 PolarHBondContact O-OH 2.78Å; A110-Y112 HydrophobicContact CB-CD2 4.34Å; A110-Y112 HydrophobicContact CB-CE2 3.83Å; A110-Y112 VanDerWaalsContact O-CD2 3.3Å; A110-Y112 WeakPolarHBondContact O-CD2 3.33Å
113	Y	98.1	Very high	96.4	Very high	92 Å²	92	64.4 Å²	64.4	36%	0.361	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	138.9	179	-59.4	-77.6	0	0	0	109.4	E24 W54 V55 Q57 T111	E24-Y113 WeakPolarHBondContact OE1-CA 3.28Å; W54-Y113 WeakPolarHBondContact CA-O 3.47Å; V55-Y113 PolarHBondContact N-O 2.79Å; V55-Y113 PolarHBondContact O-N 3.13Å; V55-Y113 VanDerWaalsContact O-O 3.12Å; Q57-Y113 HydrophobicContact CB-CE2 3.9Å; T111-Y113 HydrophobicContact CG2-CD2 4.45Å; T111-Y113 HydrophobicContact CG2-CE1 3.92Å; T111-Y113 HydrophobicContact CG2-CE2 3.68Å; T111-Y113 WeakPolarHBondContact CG2-OH 3.17Å
114	C	97.9	Very high	96.3	Very high	10 Å²	10	64.3 Å²	64.3	7%	0.068	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	146.8	165	52.6	0	0	0	0	110.3	L22 E24 C40 A53 W54 L97	L22-C114 WeakPolarHBondContact CD1-O 3.5Å; E24-C114 PolarHBondContact OE1-N 2.93Å; E24-C114 PolarHBondContact OE1-SG 3.15Å; C40-C114 HydrophobicContact CB-CB 3.39Å; C40-C114 WeakPolarHBondContact CB-SG 3.4Å; C40-C114 WeakPolarHBondContact SG-CB 3.37Å; C40-C114 CovalentContact SG-SG 2.01Å; C40-C114 PolarHBondContact SG-SG 3.27Å; A53-C114 CarbonylContact O-C 3.59Å; A53-C114 VanDerWaalsContact O-CA 3.3Å; A53-C114 WeakPolarHBondContact O-CA 3.41Å; W54-C114 HydrophobicContact CD2-CB 4.49Å; W54-C114 HydrophobicContact CE3-CB 4.37Å; W54-C114 HydrophobicContact CH2-CB 4.38Å; W54-C114 HydrophobicContact CZ2-CB 4.49Å; W54-C114 HydrophobicContact CZ3-CB 4.31Å; L97-C114 HydrophobicContact CD2-CB 4.05Å
115	A	97.6	Very high	96.3	Very high	33 Å²	33	68.6 Å²	68.6	27%	0.273	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	157.5	179.3	0	0	0	0	0	110.2	M52 A53 V55	M52-A115 CarbonylContact C-O 3.47Å; M52-A115 WeakPolarHBondContact CA-O 3.41Å; M52-A115 WeakPolarHBondContact CE-O 3.5Å; A53-A115 HydrophobicContact CB-CB 4.46Å; A53-A115 PolarHBondContact N-O 3.3Å; A53-A115 PolarHBondContact O-N 3.19Å; V55-A115 HydrophobicContact CG2-CB 4.38Å
116	R	92.9	Very high	96.3	Very high	118 Å²	118	65.1 Å²	65.1	45%	0.445	35%	0.349	S	S	.	.			trans	-122.8	0	176.1	-176.6	-176.8	74.3	157.6	-11.9	109.3	F45 Y50 M52	F45-R116 HydrophobicContact CE2-CG 4.25Å; F45-R116 HydrophobicContact CZ-CG 4.5Å; Y50-R116 HydrophobicContact CD1-CG 3.71Å; Y50-R116 HydrophobicContact CG-CG 3.65Å; Y50-R116 PolarHBondContact OH-NH1 3.26Å; M52-R116 HydrophobicContact CE-CB 4.13Å; M52-R116 HydrophobicContact SD-CB 3.84Å; M52-R116 HydrophobicContact SD-CG 3.81Å

Retrieved 116 of 116 residues in 105 ms (Link to these results)

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