A0A075B6B2_MOUSE Loading...

T cell receptor alpha variable 6N-6

AlphaFold DB , UniProt , Accession A0A075B6B2, Species MOUSE (Mus musculus, Mouse), Gene Trav6n-6, Length 114 aa.

						>A0A075B6B2_MOUSE|A0A075B6B2|Trav6n-6
MDSSPGFVAVILLILGRTHGDSVTQTEGQVTVSESKSLIINCTYSATSIGYPNLFWYVRYPGEGLQLLLKVITAGQKGSSRGFEATYNKEATSFHLQKASVQESDSAVYYCALS
					

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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	43.5	Very low	61.9	Low	242 Å²	242	135.3 Å²	135.3	100%	1.192	81%	0.806	S	S	*	*				0	94.7	0	-71.7	145.5	108.9	0	0	105.2
2	D	44.4	Very low	62.3	Low	173 Å²	173	135.8 Å²	135.8	93%	0.925	80%	0.801	S	S	*	*			trans	-94.5	116.7	-173.7	-134.7	-13	0	0	0	108.1	S4	D2-S4 PolarHBondContact O-N 3.39Å
3	S	50.8	Low	62.6	Low	109 Å²	109	136.7 Å²	136.7	76%	0.762	80%	0.798	S	S	*	*			trans	-85.7	103.5	-174.8	-61.2	0	0	0	0	109
4	S	63.7	Low	63	Low	110 Å²	110	137.4 Å²	137.4	77%	0.769	80%	0.795	S	S	*	*			trans	-59	125.7	173.1	-175.8	0	0	0	0	110.2	D2 G6	D2-S4 PolarHBondContact O-N 3.39Å; S4-G6 PolarHBondContact O-N 3.07Å; S4-G6 VanDerWaalsContact O-N 3.13Å
5	P	59	Low	62.9	Low	103 Å²	103	139.5 Å²	139.5	67%	0.669	80%	0.801	S	S	*	*			trans	-71.2	111.3	172.6	26.9	-28.6	0	0	0	108.3	F7	P5-F7 PolarHBondContact O-N 2.64Å
6	G	66.9	Low	62.7	Low	67 Å²	67	134.4 Å²	134.4	69%	0.691	79%	0.788	S	S	*	*			trans	-63.6	120.7	174.3	0	0	0	0	0	110.1	S4 V8	S4-G6 PolarHBondContact O-N 3.07Å; S4-G6 VanDerWaalsContact O-N 3.13Å; G6-V8 PolarHBondContact O-N 3.23Å
7	F	68.3	Low	62.7	Low	208 Å²	208	140.9 Å²	140.9	91%	0.912	80%	0.796	S	S	*	*			trans	-69.8	109.5	170.9	-82.2	-92.4	0	0	0	109.1	P5	P5-F7 PolarHBondContact O-N 2.64Å
8	V	71.5	Confident	62.6	Low	131 Å²	131	140.6 Å²	140.6	79%	0.794	80%	0.798	S	S	*	*			trans	-85.7	110.3	170.5	-179.5	0	0	0	0	108.2	G6 V10	G6-V8 PolarHBondContact O-N 3.23Å; V8-V10 HydrophobicContact CG1-CG2 4.21Å
9	A	72.5	Confident	62.9	Low	88 Å²	88	140.9 Å²	140.9	73%	0.727	79%	0.792	S	S	*	*			trans	-87.8	111.5	171.1	0	0	0	0	0	109.5
10	V	71.5	Confident	63.8	Low	115 Å²	115	136 Å²	136	70%	0.697	77%	0.774	S	S	*	*			trans	-91.2	102.7	171.7	-179.5	0	0	0	0	108.1	V8 L12	V8-V10 HydrophobicContact CG1-CG2 4.21Å; V10-L12 HydrophobicContact CG1-CD1 4.47Å; V10-L12 HydrophobicContact CG1-CG 4.32Å; V10-L12 PolarHBondContact O-N 3.15Å
11	I	68.8	Low	65.1	Low	142 Å²	142	132.6 Å²	132.6	73%	0.728	75%	0.754	S	S	*	*			trans	-88	99.7	173.4	-58.7	-178.7	0	0	0	108.2	L13	I11-L13 HydrophobicContact CG2-CD2 4.22Å; I11-L13 HydrophobicContact CG2-CG 4.33Å; I11-L13 PolarHBondContact O-N 2.81Å
12	L	66.7	Low	67.5	Low	142 Å²	142	123.7 Å²	123.7	74%	0.743	72%	0.715	S	S	*	*			trans	-79.1	99.2	168.8	-84.5	150.2	0	0	0	108.9	V10 I14	V10-L12 HydrophobicContact CG1-CD1 4.47Å; V10-L12 HydrophobicContact CG1-CG 4.32Å; V10-L12 PolarHBondContact O-N 3.15Å; L12-I14 VanDerWaalsContact C-N 3.3Å; L12-I14 PolarHBondContact O-N 2.98Å
13	L	66.3	Low	70	Confident	147 Å²	147	117.6 Å²	117.6	77%	0.77	68%	0.684	S	S	*	*			trans	-71.4	89.1	167.5	-67.5	172.9	0	0	0	108.7	I11 L15	I11-L13 HydrophobicContact CG2-CD2 4.22Å; I11-L13 HydrophobicContact CG2-CG 4.33Å; I11-L13 PolarHBondContact O-N 2.81Å; L13-L15 VanDerWaalsContact C-N 3.27Å; L13-L15 PolarHBondContact O-N 2.85Å
14	I	67.5	Low	72.2	Confident	146 Å²	146	116.8 Å²	116.8	75%	0.749	68%	0.675	S	S	*	*			trans	-66.8	91.4	162.9	66.8	-41.3	0	0	0	108.1	L12 G16	L12-I14 VanDerWaalsContact C-N 3.3Å; L12-I14 PolarHBondContact O-N 2.98Å; I14-G16 PolarHBondContact O-N 3.09Å
15	L	61.7	Low	73.9	Confident	169 Å²	169	114.1 Å²	114.1	89%	0.885	65%	0.65	S	S	*	*			trans	-66.8	78.8	164.2	-76.9	156.1	0	0	0	107.3	L13 R17	L13-L15 VanDerWaalsContact C-N 3.27Å; L13-L15 PolarHBondContact O-N 2.85Å; L15-R17 PolarHBondContact O-N 2.99Å
16	G	60	Low	75.6	Confident	58 Å²	58	111.3 Å²	111.3	60%	0.598	63%	0.631	S	S	*	*			trans	-59.1	125.2	168.6	0	0	0	0	0	107.8	I14 T18	I14-G16 PolarHBondContact O-N 3.09Å; G16-T18 PolarHBondContact O-N 3.44Å
17	R	62	Low	76.8	Confident	245 Å²	245	116.6 Å²	116.6	93%	0.925	64%	0.638	S	S	*	*			trans	-61.5	107.6	166.4	-79.2	-175.7	157.2	117.1	-2.8	107	L15 H19	L15-R17 PolarHBondContact O-N 2.99Å; R17-H19 PolarHBondContact O-N 3.27Å
18	T	60.9	Low	78	Confident	136 Å²	136	110.3 Å²	110.3	83%	0.834	63%	0.631	S	S	*	*			trans	-68.4	102.7	165.4	54.5	0	0	0	0	106	G16 G20	G16-T18 PolarHBondContact O-N 3.44Å; T18-G20 PolarHBondContact O-N 2.87Å
19	H	68.9	Low	79	Confident	147 Å²	147	112.6 Å²	112.6	68%	0.681	63%	0.633	S	S	*	*			trans	-66.6	106.3	172.8	-137.8	-87.3	0	0	0	106.1	R17 T47	R17-H19 PolarHBondContact O-N 3.27Å; H19-T47 HydrophobicContact CB-CG2 4.27Å; H19-T47 WeakPolarHBondContact O-CG2 3.46Å
20	G	81.2	Confident	80.1	Confident	42 Å²	42	111.9 Å²	111.9	43%	0.433	62%	0.62	S	S	.	*			trans	-106.1	173.8	176.5	0	0	0	0	0	110.6	T18	T18-G20 PolarHBondContact O-N 2.87Å
21	D	91.1	Very high	81.2	Confident	64 Å²	64	112 Å²	112	34%	0.342	62%	0.621	S	S	.	*			trans	-72.7	136.7	173.6	-76.6	14.8	0	0	0	110.2	S45 A46 T47 L113	D21-S45 CarbonylContact C-O 3.51Å; D21-S45 VanDerWaalsContact CA-O 3.3Å; D21-S45 WeakPolarHBondContact CA-O 3.47Å; D21-A46 WeakPolarHBondContact OD1-CA 3.46Å; D21-T47 PolarHBondContact OD1-N 2.87Å; D21-T47 PolarHBondContact OD1-OG1 2.86Å; D21-L113 HydrophobicContact CB-CD1 3.84Å; D21-L113 HydrophobicContact CB-CD2 4.38Å; D21-L113 HydrophobicContact CB-CG 4.31Å
22	S	93.8	Very high	82.5	Confident	55 Å²	55	107.9 Å²	107.9	39%	0.385	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-147.6	156.5	-177.6	66	0	0	0	0	112.9	Y44 S45 L113	S22-Y44 CarbonylContact O-C 3.53Å; S22-Y44 VanDerWaalsContact O-CA 3.26Å; S22-Y44 WeakPolarHBondContact O-CA 3.5Å; S22-S45 PolarHBondContact N-O 2.83Å; S22-S45 PolarHBondContact O-N 2.65Å; S22-L113 VanDerWaalsContact C-CD2 3.41Å; S22-L113 VanDerWaalsContact O-CD2 3.24Å; S22-L113 WeakPolarHBondContact O-CD2 3.24Å
23	V	96.9	Very high	83.9	Confident	45 Å²	45	105.3 Å²	105.3	27%	0.273	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115	148.2	165	-68.6	0	0	0	0	110.3	T43 C111 L113	V23-T43 CarbonylContact C-O 3.59Å; V23-T43 VanDerWaalsContact CA-O 3.23Å; V23-T43 WeakPolarHBondContact CA-O 3.46Å; V23-C111 WeakPolarHBondContact CG2-O 3.19Å; V23-L113 HydrophobicContact CG1-CD2 3.56Å
24	T	97.8	Very high	85.4	Confident	92 Å²	92	103.8 Å²	103.8	56%	0.564	59%	0.585	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.6	120.3	166.3	-58.9	0	0	0	0	107.5	C42 T43	T24-C42 CarbonylContact O-C 3.58Å; T24-C42 WeakPolarHBondContact O-CA 3.45Å; T24-T43 PolarHBondContact N-O 2.87Å; T24-T43 PolarHBondContact O-N 3.04Å; T24-T43 PolarHBondContact O-OG1 2.92Å
25	Q	97.9	Very high	86.8	Confident	55 Å²	55	101.2 Å²	101.2	26%	0.257	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.5	168.9	-178.6	62	172.8	71.5	0	0	112	E27 N41 C42 Y109 C111	Q25-E27 PolarHBondContact O-N 2.62Å; Q25-N41 CarbonylContact C-O 3.52Å; Q25-N41 WeakPolarHBondContact CA-O 3.18Å; Q25-N41 WeakPolarHBondContact CB-O 3.39Å; Q25-C42 HydrophobicContact CB-CB 4.49Å; Q25-Y109 PolarHBondContact NE2-O 2.98Å; Q25-Y109 VanDerWaalsContact NE2-O 3.16Å; Q25-C111 HydrophobicContact CB-CB 4.49Å
26	T	96.5	Very high	88.5	Confident	44 Å²	44	99.4 Å²	99.4	27%	0.27	57%	0.565	S	S	.	*			trans	-52.6	123.7	171	-59.1	0	0	0	0	109.9	V30 N41	T26-V30 HydrophobicContact CG2-CG2 3.72Å; T26-N41 PolarHBondContact N-O 2.82Å; T26-N41 WeakPolarHBondContact OG1-CB 3.16Å; T26-N41 PolarHBondContact OG1-N 3.01Å
27	E	91.4	Very high	90.3	Very high	178 Å²	178	100.8 Å²	100.8	83%	0.832	57%	0.565	S	S	*	*			trans	-89.2	148.8	179.6	-63.2	-173.8	167.8	0	0	111.6	Q25	Q25-E27 PolarHBondContact O-N 2.62Å
28	G	92.4	Very high	92	Very high	75 Å²	75	90.2 Å²	90.2	77%	0.773	53%	0.527	S	S	*	.	S	Bend	trans	77	-166.5	173.8	0	0	0	0	0	114.8
29	Q	93.9	Very high	93.7	Very high	179 Å²	179	88.1 Å²	88.1	84%	0.836	51%	0.51	S	S	*	.			trans	-83.9	133.6	-178.6	-175	175.8	2.4	0	0	110.6
30	V	94.6	Very high	95.1	Very high	73 Å²	73	82 Å²	82	44%	0.442	48%	0.482	S	S	.	.			trans	-111.3	122.4	172.1	-174.9	0	0	0	0	108.4	T26 V32 L38	T26-V30 HydrophobicContact CG2-CG2 3.72Å; V30-V32 HydrophobicContact CG1-CG2 3.94Å; V30-L38 HydrophobicContact CG1-CD1 3.86Å
31	T	95.5	Very high	96	Very high	118 Å²	118	83.7 Å²	83.7	72%	0.724	48%	0.481	S	S	*	.			trans	-110.5	124.7	177.6	-55.7	0	0	0	0	109.3
32	V	95.6	Very high	96.3	Very high	56 Å²	56	80.7 Å²	80.7	34%	0.339	47%	0.465	S	S	.	.			trans	-134.8	138.6	-178.5	-177.2	0	0	0	0	108.7	V30 K36 L38 V101	V30-V32 HydrophobicContact CG1-CG2 3.94Å; V32-K36 HydrophobicContact CG1-CB 3.7Å; V32-L38 HydrophobicContact CG2-CD1 3.86Å; V32-V101 HydrophobicContact CB-CG2 4.28Å; V32-V101 HydrophobicContact CG1-CG2 3.85Å
33	S	96.8	Very high	96.5	Very high	87 Å²	87	80.6 Å²	80.6	61%	0.608	46%	0.463	S	S	*	.			trans	-70.6	147.8	173.8	-53.4	0	0	0	0	111.1	K36 V101	S33-K36 VanDerWaalsContact O-CB 3.3Å; S33-K36 WeakPolarHBondContact O-CB 3.32Å; S33-K36 WeakPolarHBondContact O-CG 3.21Å; S33-K36 PolarHBondContact O-N 2.89Å; S33-V101 WeakPolarHBondContact O-CG2 3.27Å
34	E	97.3	Very high	96.4	Very high	116 Å²	116	79.4 Å²	79.4	54%	0.542	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	152.9	174.7	-65.6	-162.3	128.1	0	0	112.6	K36 V101 E103	E34-K36 PolarHBondContact O-N 2.91Å; E34-K36 VanDerWaalsContact O-N 3.09Å; E34-V101 WeakPolarHBondContact CA-O 3.36Å; E34-E103 WeakPolarHBondContact OE1-CB 3.29Å; E34-E103 PolarHBondContact OE1-N 3.06Å
35	S	97	Very high	96.2	Very high	92 Å²	92	77.2 Å²	77.2	64%	0.643	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	5.3	-177.1	-52.6	0	0	0	0	115.9	S100 V101	S35-S100 WeakPolarHBondContact CA-OG 3.08Å; S35-V101 PolarHBondContact N-O 3.2Å
36	K	98	Very high	95.8	Very high	131 Å²	131	76.2 Å²	76.2	57%	0.57	44%	0.443	S	S	*	.	S	Bend	trans	-91.9	159.9	170.6	-60	-61.1	-175.7	-178.3	0	111.1	V32 S33 E34 A99 S100 V101	V32-K36 HydrophobicContact CG1-CB 3.7Å; S33-K36 VanDerWaalsContact O-CB 3.3Å; S33-K36 WeakPolarHBondContact O-CB 3.32Å; S33-K36 WeakPolarHBondContact O-CG 3.21Å; S33-K36 PolarHBondContact O-N 2.89Å; E34-K36 PolarHBondContact O-N 2.91Å; E34-K36 VanDerWaalsContact O-N 3.09Å; K36-A99 CarbonylContact C-O 3.51Å; K36-S100 WeakPolarHBondContact O-CA 3.21Å; K36-V101 WeakPolarHBondContact O-CG2 3.45Å; K36-V101 PolarHBondContact O-N 3.12Å
37	S	97.7	Very high	95.1	Very high	86 Å²	86	77.9 Å²	77.9	60%	0.601	45%	0.453	S	S	*	.			trans	-78.1	146.7	172.5	55.6	0	0	0	0	111.2	K98 A99	S37-K98 CarbonylContact C-O 3.55Å; S37-K98 VanDerWaalsContact CA-O 3.24Å; S37-K98 WeakPolarHBondContact CA-O 3.24Å; S37-A99 WeakPolarHBondContact CA-O 3.23Å; S37-A99 PolarHBondContact N-O 2.93Å
38	L	96.4	Very high	94.2	Very high	24 Å²	24	72.2 Å²	72.2	13%	0.126	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	140.1	175.1	170.1	66.9	0	0	0	109.2	V30 V32 I40 Q97 K98 V101	V30-L38 HydrophobicContact CG1-CD1 3.86Å; V32-L38 HydrophobicContact CG2-CD1 3.86Å; L38-I40 HydrophobicContact CD1-CG1 4.14Å; L38-I40 HydrophobicContact CD2-CD1 4.21Å; L38-I40 HydrophobicContact CD2-CG1 4.07Å; L38-I40 HydrophobicContact CG-CG1 4.08Å; L38-Q97 WeakPolarHBondContact O-CA 3.33Å; L38-K98 PolarHBondContact N-O 3.29Å; L38-K98 PolarHBondContact O-N 2.87Å; L38-V101 HydrophobicContact CB-CG1 3.51Å; L38-V101 HydrophobicContact CD2-CG1 4.07Å; L38-V101 HydrophobicContact CG-CG1 4.45Å
39	I	97.9	Very high	93.1	Very high	91 Å²	91	77.2 Å²	77.2	47%	0.467	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	121.1	167	-54.4	-177.7	0	0	0	107.8	H95 L96 Q97	I39-H95 HydrophobicContact CG2-CB 4.11Å; I39-L96 CarbonylContact C-O 3.6Å; I39-L96 WeakPolarHBondContact CA-O 3.33Å; I39-Q97 HydrophobicContact CG1-CG 4.13Å; I39-Q97 HydrophobicContact CG2-CG 4.25Å
40	I	98.3	Very high	92.2	Very high	18 Å²	18	70.9 Å²	70.9	9%	0.092	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.1	168.6	-47.7	-176.3	0	0	0	107.3	L38 W56 H95 L96 Y109	L38-I40 HydrophobicContact CD1-CG1 4.14Å; L38-I40 HydrophobicContact CD2-CD1 4.21Å; L38-I40 HydrophobicContact CD2-CG1 4.07Å; L38-I40 HydrophobicContact CG-CG1 4.08Å; I40-W56 HydrophobicContact CB-CH2 3.97Å; I40-W56 HydrophobicContact CB-CZ2 4.49Å; I40-W56 HydrophobicContact CG2-CH2 3.54Å; I40-W56 HydrophobicContact CG2-CZ2 4.43Å; I40-W56 HydrophobicContact CG2-CZ3 4.11Å; I40-H95 WeakPolarHBondContact O-CA 2.97Å; I40-L96 HydrophobicContact CB-CB 4.25Å; I40-L96 HydrophobicContact CD1-CD2 4.22Å; I40-L96 PolarHBondContact N-O 2.83Å; I40-L96 PolarHBondContact O-N 3.09Å; I40-Y109 HydrophobicContact CD1-CD2 3.75Å; I40-Y109 HydrophobicContact CD1-CG 3.76Å
41	N	98.5	Very high	91.6	Very high	79 Å²	79	73.8 Å²	73.8	42%	0.422	43%	0.427	S	S	.	.			trans	-75.1	141.3	-176.2	-68.5	-34.5	0	0	0	110.8	Q25 T26 H95	Q25-N41 CarbonylContact C-O 3.52Å; Q25-N41 WeakPolarHBondContact CA-O 3.18Å; Q25-N41 WeakPolarHBondContact CB-O 3.39Å; T26-N41 PolarHBondContact N-O 2.82Å; T26-N41 WeakPolarHBondContact OG1-CB 3.16Å; T26-N41 PolarHBondContact OG1-N 3.01Å; N41-H95 VanDerWaalsContact CA-ND1 3.32Å; N41-H95 WeakPolarHBondContact CA-ND1 3.44Å; N41-H95 PolarHBondContact OD1-ND1 2.82Å; N41-H95 VanDerWaalsContact OD1-ND1 3.07Å
42	C	98.4	Very high	91.5	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	126.3	165.5	176.9	0	0	0	0	109.4	T24 Q25 W56 S93 F94 H95 C111	T24-C42 CarbonylContact O-C 3.58Å; T24-C42 WeakPolarHBondContact O-CA 3.45Å; Q25-C42 HydrophobicContact CB-CB 4.49Å; C42-W56 HydrophobicContact CB-CH2 4.14Å; C42-W56 HydrophobicContact CB-CZ2 3.49Å; C42-W56 VanDerWaalsContact CB-CZ2 3.49Å; C42-S93 WeakPolarHBondContact O-CA 3.44Å; C42-S93 WeakPolarHBondContact O-CB 3.24Å; C42-F94 PolarHBondContact O-N 2.75Å; C42-H95 PolarHBondContact N-ND1 2.88Å; C42-C111 HydrophobicContact CB-CB 3.57Å; C42-C111 WeakPolarHBondContact CB-SG 3.49Å; C42-C111 WeakPolarHBondContact SG-CB 3.4Å; C42-C111 CovalentContact SG-SG 2.02Å; C42-C111 PolarHBondContact SG-SG 2.97Å
43	T	98	Very high	91.5	Very high	54 Å²	54	67.9 Å²	67.9	33%	0.331	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	158.7	165.7	59.2	0	0	0	0	109.3	V23 T24 T92	V23-T43 CarbonylContact C-O 3.59Å; V23-T43 VanDerWaalsContact CA-O 3.23Å; V23-T43 WeakPolarHBondContact CA-O 3.46Å; T24-T43 PolarHBondContact N-O 2.87Å; T24-T43 PolarHBondContact O-N 3.04Å; T24-T43 PolarHBondContact O-OG1 2.92Å; T43-T92 CarbonylContact C-O 3.53Å; T43-T92 WeakPolarHBondContact CA-O 3.39Å; T43-T92 WeakPolarHBondContact CB-O 3.41Å
44	Y	95.3	Very high	91.5	Very high	20 Å²	20	63.7 Å²	63.7	8%	0.078	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	151.5	179.7	70.6	-92.8	0	0	0	111.6	S22 A46 P52 L54 Y87 T92	S22-Y44 CarbonylContact O-C 3.53Å; S22-Y44 VanDerWaalsContact O-CA 3.26Å; S22-Y44 WeakPolarHBondContact O-CA 3.5Å; Y44-A46 HydrophobicContact CD2-CB 4.11Å; Y44-A46 HydrophobicContact CE2-CB 4.27Å; Y44-P52 HydrophobicContact CD2-CG 3.87Å; Y44-P52 HydrophobicContact CE2-CG 3.65Å; Y44-L54 HydrophobicContact CD1-CD1 4.06Å; Y44-L54 HydrophobicContact CD1-CD2 3.76Å; Y44-L54 HydrophobicContact CE1-CD1 3.84Å; Y44-L54 HydrophobicContact CE1-CD2 4.27Å; Y44-L54 HydrophobicContact CG-CD2 4.07Å; Y44-Y87 AromaticContact CE1-CE2 3.8Å; Y44-Y87 HydrophobicContact CE1-CE2 3.8Å; Y44-Y87 AromaticContact CZ-CE2 3.87Å; Y44-Y87 WeakPolarHBondContact OH-CE2 2.97Å; Y44-Y87 PolarHBondContact OH-OH 3.43Å; Y44-T92 WeakPolarHBondContact CD1-O 3.45Å; Y44-T92 HydrophobicContact CE2-CG2 4.43Å; Y44-T92 PolarHBondContact N-O 3.07Å; Y44-T92 WeakPolarHBondContact O-CB 3.32Å
45	S	93.6	Very high	91.6	Very high	45 Å²	45	59.2 Å²	59.2	32%	0.315	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	118.2	166.2	166.6	0	0	0	0	107.3	D21 S22	D21-S45 CarbonylContact C-O 3.51Å; D21-S45 VanDerWaalsContact CA-O 3.3Å; D21-S45 WeakPolarHBondContact CA-O 3.47Å; S22-S45 PolarHBondContact N-O 2.83Å; S22-S45 PolarHBondContact O-N 2.65Å
46	A	89.2	Confident	91.7	Very high	34 Å²	34	54.9 Å²	54.9	28%	0.281	31%	0.308	S	S	.	.			trans	-118.5	141.4	176.9	0	0	0	0	0	110.1	D21 Y44 P52 L113	D21-A46 WeakPolarHBondContact OD1-CA 3.46Å; Y44-A46 HydrophobicContact CD2-CB 4.11Å; Y44-A46 HydrophobicContact CE2-CB 4.27Å; A46-P52 HydrophobicContact CB-CG 4Å; A46-L113 HydrophobicContact CB-CD1 4.02Å
47	T	81.5	Confident	91.7	Very high	79 Å²	79	51.8 Å²	51.8	49%	0.485	29%	0.294	S	S	.	.			trans	-98.2	-14.9	-176.6	56.4	0	0	0	0	113.1	H19 D21	H19-T47 HydrophobicContact CB-CG2 4.27Å; H19-T47 WeakPolarHBondContact O-CG2 3.46Å; D21-T47 PolarHBondContact OD1-N 2.87Å; D21-T47 PolarHBondContact OD1-OG1 2.86Å
48	S	72.8	Confident	91.7	Very high	60 Å²	60	47.7 Å²	47.7	42%	0.42	27%	0.265	S	S	.	.	S	Bend	trans	-73.6	150.3	179.5	59	0	0	0	0	113.3	G50	S48-G50 PolarHBondContact O-N 2.99Å; S48-G50 PolarHBondContact OG-O 3.09Å
49	I	69.1	Low	91.8	Very high	180 Å²	180	51.8 Å²	51.8	92%	0.923	28%	0.279	S	S	*	.	S	Bend	trans	-65.5	-25.4	170.6	-61.4	171	0	0	0	111.1
50	G	74	Confident	91.8	Very high	46 Å²	46	49.1 Å²	49.1	47%	0.474	26%	0.263	S	S	.	.	S	Bend	trans	-84.6	157.5	174.1	0	0	0	0	0	113.2	S48	S48-G50 PolarHBondContact O-N 2.99Å; S48-G50 PolarHBondContact OG-O 3.09Å
51	Y	83.6	Confident	91.8	Very high	134 Å²	134	53.5 Å²	53.5	53%	0.525	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-78.9	130.4	173.3	-60.7	-57.5	0	0	0	110.2	Y87 K89	Y51-Y87 WeakPolarHBondContact CB-OH 3.4Å; Y51-K89 HydrophobicContact CD1-CD 3.8Å; Y51-K89 HydrophobicContact CD1-CG 4.05Å; Y51-K89 HydrophobicContact CE1-CD 3.34Å; Y51-K89 HydrophobicContact CE1-CG 3.88Å; Y51-K89 HydrophobicContact CE2-CD 4.27Å; Y51-K89 HydrophobicContact CG-CD 4.47Å; Y51-K89 VanDerWaalsContact OH-CE 3.24Å; Y51-K89 WeakPolarHBondContact OH-CE 3.46Å; Y51-K89 PolarHBondContact OH-NZ 3.05Å
52	P	92.7	Very high	91.7	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.032	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-68.3	154.3	-179.8	29.8	-37.9	0	0	0	111.7	Y44 A46 L54 Y87 L113 S114	Y44-P52 HydrophobicContact CD2-CG 3.87Å; Y44-P52 HydrophobicContact CE2-CG 3.65Å; A46-P52 HydrophobicContact CB-CG 4Å; P52-L54 HydrophobicContact CG-CD2 4.41Å; P52-Y87 VanDerWaalsContact CD-OH 3.27Å; P52-Y87 WeakPolarHBondContact CD-OH 3.27Å; P52-Y87 VanDerWaalsContact O-CE1 3.29Å; P52-Y87 WeakPolarHBondContact O-CE1 3.44Å; P52-Y87 PolarHBondContact O-OH 3.42Å; P52-L113 HydrophobicContact CB-CB 4.11Å; P52-L113 HydrophobicContact CB-CD1 3.48Å; P52-L113 VanDerWaalsContact CB-CD1 3.48Å; P52-L113 HydrophobicContact CB-CG 4.45Å; P52-L113 HydrophobicContact CG-CD1 3.91Å; P52-S114 CarbonylContact C-O 3.5Å; P52-S114 WeakPolarHBondContact CA-O 3.21Å
53	N	94.9	Very high	91.6	Very high	44 Å²	44	59 Å²	59	24%	0.235	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-76.3	141.6	161.8	-55.4	-56.5	0	0	0	108.7	F55 I72 L113 S114	N53-F55 HydrophobicContact CB-CE2 3.57Å; N53-F55 HydrophobicContact CB-CZ 3.63Å; N53-F55 VanDerWaalsContact O-CE2 3.3Å; N53-F55 WeakPolarHBondContact O-CE2 3.23Å; N53-I72 WeakPolarHBondContact OD1-CG1 3.27Å; N53-I72 VanDerWaalsContact OD1-CG2 3.27Å; N53-I72 WeakPolarHBondContact OD1-CG2 3.48Å; N53-L113 VanDerWaalsContact O-CA 3.25Å; N53-L113 WeakPolarHBondContact O-CA 3.45Å; N53-S114 WeakPolarHBondContact CB-OG 3.42Å; N53-S114 PolarHBondContact N-O 3.2Å; N53-S114 PolarHBondContact ND2-OG 3.36Å; N53-S114 PolarHBondContact O-N 2.82Å; N53-S114 VanDerWaalsContact O-N 3.08Å
54	L	97.8	Very high	91.6	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140.4	-177.6	-65.1	165.9	0	0	0	111.2	Y44 P52 K70 V71 Y87 F94 L113	Y44-L54 HydrophobicContact CD1-CD1 4.06Å; Y44-L54 HydrophobicContact CD1-CD2 3.76Å; Y44-L54 HydrophobicContact CE1-CD1 3.84Å; Y44-L54 HydrophobicContact CE1-CD2 4.27Å; Y44-L54 HydrophobicContact CG-CD2 4.07Å; P52-L54 HydrophobicContact CG-CD2 4.41Å; L54-K70 CarbonylContact O-C 3.56Å; L54-K70 WeakPolarHBondContact O-CA 3.14Å; L54-V71 PolarHBondContact N-O 2.92Å; L54-V71 PolarHBondContact O-N 2.96Å; L54-Y87 HydrophobicContact CD1-CD1 3.86Å; L54-Y87 HydrophobicContact CD1-CD2 3.22Å; L54-Y87 HydrophobicContact CD1-CE1 3.86Å; L54-Y87 HydrophobicContact CD1-CE2 3.25Å; L54-Y87 HydrophobicContact CD1-CG 3.56Å; L54-Y87 HydrophobicContact CG-CE1 4.4Å; L54-Y87 HydrophobicContact CG-CE2 4.38Å; L54-F94 HydrophobicContact CB-CB 4.38Å; L54-F94 HydrophobicContact CB-CD1 3.6Å; L54-F94 HydrophobicContact CB-CD2 4.05Å; L54-F94 HydrophobicContact CB-CE1 3.75Å; L54-F94 HydrophobicContact CB-CE2 4.23Å; L54-F94 HydrophobicContact CB-CG 3.75Å; L54-F94 HydrophobicContact CB-CZ 4.08Å; L54-F94 HydrophobicContact CD1-CB 3.95Å; L54-F94 HydrophobicContact CD1-CD2 4.02Å; L54-F94 HydrophobicContact CD1-CG 3.96Å; L54-F94 HydrophobicContact CG-CG 4.39Å; L54-L113 HydrophobicContact CD2-CB 3.83Å
55	F	98.4	Very high	91.7	Very high	22 Å²	22	62 Å²	62	10%	0.096	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	146.3	-171.1	-49.9	-101.5	0	0	0	110.7	N53 Y57 L67 L69 K70 C111 A112 S114	N53-F55 HydrophobicContact CB-CE2 3.57Å; N53-F55 HydrophobicContact CB-CZ 3.63Å; N53-F55 VanDerWaalsContact O-CE2 3.3Å; N53-F55 WeakPolarHBondContact O-CE2 3.23Å; F55-Y57 HydrophobicContact CB-CD2 4.17Å; F55-Y57 HydrophobicContact CB-CE2 3.62Å; F55-Y57 HydrophobicContact CG-CE2 4.19Å; F55-L67 HydrophobicContact CB-CD1 4.39Å; F55-L67 HydrophobicContact CD1-CD1 3.99Å; F55-L69 WeakPolarHBondContact CA-O 3.31Å; F55-K70 HydrophobicContact CD1-CB 3.95Å; F55-K70 HydrophobicContact CD1-CD 4.03Å; F55-K70 HydrophobicContact CD1-CG 3.68Å; F55-K70 HydrophobicContact CE1-CB 4.29Å; F55-K70 HydrophobicContact CE1-CD 3.47Å; F55-K70 VanDerWaalsContact CE1-CD 3.47Å; F55-K70 VanDerWaalsContact CE1-CE 3.43Å; F55-K70 HydrophobicContact CE1-CG 3.56Å; F55-K70 HydrophobicContact CZ-CD 4.27Å; F55-K70 HydrophobicContact CZ-CG 4.34Å; F55-C111 WeakPolarHBondContact O-CA 3.41Å; F55-A112 HydrophobicContact CB-CB 4.4Å; F55-A112 PolarHBondContact N-O 3.28Å; F55-A112 PolarHBondContact O-N 3.13Å; F55-S114 WeakPolarHBondContact CE2-OG 3.44Å
56	W	98.7	Very high	91.9	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.3	156.5	-81.7	94.1	0	0	0	109.3	I40 C42 L68 L69 F94 L96 Y110 C111	I40-W56 HydrophobicContact CB-CH2 3.97Å; I40-W56 HydrophobicContact CB-CZ2 4.49Å; I40-W56 HydrophobicContact CG2-CH2 3.54Å; I40-W56 HydrophobicContact CG2-CZ2 4.43Å; I40-W56 HydrophobicContact CG2-CZ3 4.11Å; C42-W56 HydrophobicContact CB-CH2 4.14Å; C42-W56 HydrophobicContact CB-CZ2 3.49Å; C42-W56 VanDerWaalsContact CB-CZ2 3.49Å; W56-L68 HydrophobicContact CB-CB 4.35Å; W56-L68 HydrophobicContact CB-CD2 4.47Å; W56-L68 WeakPolarHBondContact O-CA 3.34Å; W56-L68 WeakPolarHBondContact O-CB 3.37Å; W56-L68 PolarHBondContact O-N 2.97Å; W56-L69 HydrophobicContact CB-CD1 3.68Å; W56-L69 HydrophobicContact CB-CG 3.9Å; W56-L69 VanDerWaalsContact CD1-CD1 3.47Å; W56-L69 HydrophobicContact CG-CD1 3.92Å; W56-L69 PolarHBondContact N-O 3.16Å; W56-L69 PolarHBondContact O-N 2.98Å; W56-L69 VanDerWaalsContact O-N 3.13Å; W56-F94 AromaticContact CD1-CD1 3.43Å; W56-F94 VanDerWaalsContact CD1-CD1 3.43Å; W56-F94 AromaticContact CD1-CE1 3.4Å; W56-F94 HydrophobicContact CG-CE1 4.45Å; W56-F94 AromaticContact NE1-CD1 3.5Å; W56-F94 AromaticContact NE1-CE1 3.97Å; W56-F94 PolarHBondContact NE1-O 2.88Å; W56-L96 HydrophobicContact CB-CD1 4.26Å; W56-L96 HydrophobicContact CD2-CB 3.85Å; W56-L96 HydrophobicContact CD2-CD1 4.27Å; W56-L96 HydrophobicContact CD2-CD2 4.03Å; W56-L96 HydrophobicContact CD2-CG 4.28Å; W56-L96 VanDerWaalsContact CE2-CB 3.47Å; W56-L96 HydrophobicContact CE3-CB 4.4Å; W56-L96 HydrophobicContact CE3-CD2 4.04Å; W56-L96 HydrophobicContact CG-CB 4.25Å; W56-L96 HydrophobicContact CG-CD1 3.87Å; W56-L96 HydrophobicContact CG-CD2 4.34Å; W56-L96 HydrophobicContact CG-CG 4.4Å; W56-L96 HydrophobicContact CH2-CB 4.27Å; W56-L96 HydrophobicContact CZ2-CB 3.68Å; W56-Y110 CarbonylContact C-O 3.6Å; W56-Y110 WeakPolarHBondContact CA-O 3.26Å; W56-Y110 VanDerWaalsContact CE3-C 3.41Å; W56-C111 HydrophobicContact CD2-CB 4.25Å; W56-C111 HydrophobicContact CE3-CB 4.23Å; W56-C111 HydrophobicContact CH2-CB 3.79Å; W56-C111 HydrophobicContact CZ2-CB 3.82Å; W56-C111 HydrophobicContact CZ3-CB 3.99Å
57	Y	98.7	Very high	92.4	Very high	66 Å²	66	65.4 Å²	65.4	26%	0.259	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	152.6	168.7	-64.7	-92.4	0	0	0	109.8	F55 L65 Q66 L67 Y109 Y110 A112	F55-Y57 HydrophobicContact CB-CD2 4.17Å; F55-Y57 HydrophobicContact CB-CE2 3.62Å; F55-Y57 HydrophobicContact CG-CE2 4.19Å; Y57-L65 HydrophobicContact CD1-CD2 4.02Å; Y57-L65 HydrophobicContact CD1-CG 3.97Å; Y57-L65 HydrophobicContact CG-CD1 4.43Å; Y57-L65 HydrophobicContact CG-CD2 4.12Å; Y57-L65 HydrophobicContact CG-CG 4.14Å; Y57-Q66 CarbonylContact C-O 3.51Å; Y57-Q66 WeakPolarHBondContact CA-O 3.39Å; Y57-Q66 WeakPolarHBondContact CB-O 3.44Å; Y57-Q66 WeakPolarHBondContact CD1-O 3.48Å; Y57-L67 HydrophobicContact CD1-CB 4.35Å; Y57-L67 HydrophobicContact CD1-CD1 4.36Å; Y57-L67 HydrophobicContact CE1-CB 4.15Å; Y57-L67 HydrophobicContact CE1-CD1 3.96Å; Y57-Y109 WeakPolarHBondContact O-CA 3.4Å; Y57-Y110 PolarHBondContact N-O 2.87Å; Y57-Y110 PolarHBondContact O-N 3.29Å; Y57-A112 HydrophobicContact CD2-CB 4.31Å; Y57-A112 HydrophobicContact CE2-CB 4.08Å
58	V	98.6	Very high	93.2	Very high	0 Å²	0	62 Å²	62	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143.9	173.3	64.9	0	0	0	0	109.6	Y60 Q66 L68 A107 V108 Y109	V58-Y60 HydrophobicContact CB-CE2 4.47Å; V58-Y60 HydrophobicContact CG1-CD2 4.41Å; V58-Y60 HydrophobicContact CG1-CE2 3.73Å; V58-Y60 HydrophobicContact CG2-CD2 4.3Å; V58-Y60 HydrophobicContact CG2-CE1 4.25Å; V58-Y60 HydrophobicContact CG2-CE2 3.85Å; V58-Q66 HydrophobicContact CG1-CB 4.25Å; V58-Q66 PolarHBondContact N-O 3.49Å; V58-Q66 PolarHBondContact O-N 2.66Å; V58-L68 HydrophobicContact CB-CB 4.37Å; V58-L68 HydrophobicContact CG1-CB 4.13Å; V58-A107 HydrophobicContact CG2-CB 3.44Å; V58-A107 VanDerWaalsContact CG2-CB 3.44Å; V58-V108 CarbonylContact C-O 3.59Å; V58-V108 WeakPolarHBondContact CA-O 3.41Å; V58-Y109 HydrophobicContact CB-CD1 4.03Å; V58-Y109 HydrophobicContact CB-CE1 4Å; V58-Y109 HydrophobicContact CG2-CD1 3.87Å; V58-Y109 HydrophobicContact CG2-CE1 3.52Å; V58-Y109 HydrophobicContact CG2-CE2 4.46Å; V58-Y109 HydrophobicContact CG2-CG 4.48Å
59	R	98.3	Very high	94.4	Very high	111 Å²	111	59.5 Å²	59.5	42%	0.419	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	107.4	171.7	-177.9	-176.5	-69.8	171.9	-2.5	108.9	E63 L65 A107 V108 Y110	R59-E63 WeakPolarHBondContact CG-O 3.43Å; R59-L65 HydrophobicContact CB-CD1 4.23Å; R59-A107 WeakPolarHBondContact O-CB 3.38Å; R59-V108 PolarHBondContact N-O 3.13Å; R59-V108 PolarHBondContact O-N 2.98Å; R59-Y110 HydrophobicContact CB-CE2 4.37Å
60	Y	97.7	Very high	95.7	Very high	34 Å²	34	55.5 Å²	55.5	13%	0.133	31%	0.312	C	S	.	.			trans	-75.8	156.8	172.4	-64.6	-78	0	0	0	111	V58 G62 E63 S104 A107	V58-Y60 HydrophobicContact CB-CE2 4.47Å; V58-Y60 HydrophobicContact CG1-CD2 4.41Å; V58-Y60 HydrophobicContact CG1-CE2 3.73Å; V58-Y60 HydrophobicContact CG2-CD2 4.3Å; V58-Y60 HydrophobicContact CG2-CE1 4.25Å; V58-Y60 HydrophobicContact CG2-CE2 3.85Å; Y60-G62 PolarHBondContact O-N 2.82Å; Y60-E63 PolarHBondContact O-N 2.95Å; Y60-S104 VanDerWaalsContact CE1-O 3.32Å; Y60-S104 WeakPolarHBondContact CE1-O 3.44Å; Y60-A107 HydrophobicContact CD1-CB 3.61Å; Y60-A107 HydrophobicContact CE1-CB 3.79Å; Y60-A107 HydrophobicContact CG-CB 4.23Å
61	P	97.3	Very high	96.9	Very high	111 Å²	111	53.7 Å²	53.7	72%	0.721	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	124.4	175.1	-26.2	35.4	0	0	0	112	E63	P61-E63 VanDerWaalsContact C-N 3.28Å; P61-E63 PolarHBondContact O-N 3.28Å
62	G	97.1	Very high	97.4	Very high	93 Å²	93	51.7 Å²	51.7	96%	0.959	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-1.3	179.4	0	0	0	0	0	115.7	Y60	Y60-G62 PolarHBondContact O-N 2.82Å
63	E	97.1	Very high	97.5	Very high	102 Å²	102	55 Å²	55	48%	0.477	31%	0.309	S	S	.	.	S	Bend	trans	-108.3	163.9	-178.3	-63.4	-173.5	-171.7	0	0	113.1	R59 Y60 P61 Q66	R59-E63 WeakPolarHBondContact CG-O 3.43Å; Y60-E63 PolarHBondContact O-N 2.95Å; P61-E63 VanDerWaalsContact C-N 3.28Å; P61-E63 PolarHBondContact O-N 3.28Å; E63-Q66 PolarHBondContact OE2-NE2 3.31Å
64	G	97.3	Very high	97.4	Very high	51 Å²	51	54.5 Å²	54.5	53%	0.526	31%	0.312	S	S	.	.			trans	-72.4	168.6	171.3	0	0	0	0	0	113.1	Q66	G64-Q66 PolarHBondContact O-N 2.78Å
65	L	97.8	Very high	97.3	Very high	86 Å²	86	57.3 Å²	57.3	45%	0.45	34%	0.34	S	S	.	.			trans	-67.3	128	172.3	-168.4	71.6	0	0	0	109.8	Y57 R59 Y110	Y57-L65 HydrophobicContact CD1-CD2 4.02Å; Y57-L65 HydrophobicContact CD1-CG 3.97Å; Y57-L65 HydrophobicContact CG-CD1 4.43Å; Y57-L65 HydrophobicContact CG-CD2 4.12Å; Y57-L65 HydrophobicContact CG-CG 4.14Å; R59-L65 HydrophobicContact CB-CD1 4.23Å; L65-Y110 HydrophobicContact CD1-CD2 3.61Å; L65-Y110 HydrophobicContact CD1-CE2 3.98Å
66	Q	98.4	Very high	97.2	Very high	60 Å²	60	61.2 Å²	61.2	28%	0.28	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.8	-178.9	-68.1	167.1	44.1	0	0	110.9	Y57 V58 E63 G64 L68	Y57-Q66 CarbonylContact C-O 3.51Å; Y57-Q66 WeakPolarHBondContact CA-O 3.39Å; Y57-Q66 WeakPolarHBondContact CB-O 3.44Å; Y57-Q66 WeakPolarHBondContact CD1-O 3.48Å; V58-Q66 HydrophobicContact CG1-CB 4.25Å; V58-Q66 PolarHBondContact N-O 3.49Å; V58-Q66 PolarHBondContact O-N 2.66Å; E63-Q66 PolarHBondContact OE2-NE2 3.31Å; G64-Q66 PolarHBondContact O-N 2.78Å; Q66-L68 PolarHBondContact O-N 3.41Å
67	L	98.4	Very high	97.2	Very high	90 Å²	90	66.7 Å²	66.7	47%	0.471	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	120.3	169.4	-177.9	64.1	0	0	0	109	F55 Y57 K70	F55-L67 HydrophobicContact CB-CD1 4.39Å; F55-L67 HydrophobicContact CD1-CD1 3.99Å; Y57-L67 HydrophobicContact CD1-CB 4.35Å; Y57-L67 HydrophobicContact CD1-CD1 4.36Å; Y57-L67 HydrophobicContact CE1-CB 4.15Å; Y57-L67 HydrophobicContact CE1-CD1 3.96Å; L67-K70 HydrophobicContact CD1-CB 4.42Å; L67-K70 HydrophobicContact CD2-CB 4.42Å
68	L	98.5	Very high	97.2	Very high	6 Å²	6	64.1 Å²	64.1	3%	0.031	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-52.5	172.4	178.7	60.7	0	0	0	110	W56 V58 Q66 S80 R81 F83 L96 Y109	W56-L68 HydrophobicContact CB-CB 4.35Å; W56-L68 HydrophobicContact CB-CD2 4.47Å; W56-L68 WeakPolarHBondContact O-CA 3.34Å; W56-L68 WeakPolarHBondContact O-CB 3.37Å; W56-L68 PolarHBondContact O-N 2.97Å; V58-L68 HydrophobicContact CB-CB 4.37Å; V58-L68 HydrophobicContact CG1-CB 4.13Å; Q66-L68 PolarHBondContact O-N 3.41Å; L68-S80 WeakPolarHBondContact O-CB 3.34Å; L68-S80 PolarHBondContact O-OG 3.08Å; L68-R81 HydrophobicContact CD1-CB 4.39Å; L68-F83 HydrophobicContact CD1-CD2 4.07Å; L68-F83 HydrophobicContact CD2-CB 4.15Å; L68-F83 HydrophobicContact CD2-CD1 4.43Å; L68-F83 HydrophobicContact CD2-CD2 4.05Å; L68-F83 HydrophobicContact CD2-CG 3.95Å; L68-L96 HydrophobicContact CD2-CD1 4.02Å; L68-L96 HydrophobicContact CD2-CD2 3.87Å; L68-Y109 HydrophobicContact CD2-CD1 3.98Å; L68-Y109 HydrophobicContact CD2-CE1 3.89Å
69	L	97.5	Very high	97.1	Very high	9 Å²	9	68.3 Å²	68.3	5%	0.047	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	153.3	-179.9	46.7	90.7	0	0	0	112.6	F55 W56 F83 A85 F94 L96	F55-L69 WeakPolarHBondContact CA-O 3.31Å; W56-L69 HydrophobicContact CB-CD1 3.68Å; W56-L69 HydrophobicContact CB-CG 3.9Å; W56-L69 VanDerWaalsContact CD1-CD1 3.47Å; W56-L69 HydrophobicContact CG-CD1 3.92Å; W56-L69 PolarHBondContact N-O 3.16Å; W56-L69 PolarHBondContact O-N 2.98Å; W56-L69 VanDerWaalsContact O-N 3.13Å; L69-F83 HydrophobicContact CD2-CB 4.11Å; L69-A85 HydrophobicContact CD1-CB 3.64Å; L69-F94 HydrophobicContact CD1-CE1 3.72Å; L69-F94 HydrophobicContact CD1-CZ 3.7Å; L69-L96 HydrophobicContact CD1-CD1 4.22Å; L69-L96 HydrophobicContact CD2-CD1 3.58Å; L69-L96 HydrophobicContact CG-CD1 4.19Å
70	K	97.8	Very high	97.1	Very high	96 Å²	96	64.9 Å²	64.9	42%	0.417	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	132.4	179.9	178	-174.8	-174.6	-176.7	0	109.2	L54 F55 L67 I72	L54-K70 CarbonylContact O-C 3.56Å; L54-K70 WeakPolarHBondContact O-CA 3.14Å; F55-K70 HydrophobicContact CD1-CB 3.95Å; F55-K70 HydrophobicContact CD1-CD 4.03Å; F55-K70 HydrophobicContact CD1-CG 3.68Å; F55-K70 HydrophobicContact CE1-CB 4.29Å; F55-K70 HydrophobicContact CE1-CD 3.47Å; F55-K70 VanDerWaalsContact CE1-CD 3.47Å; F55-K70 VanDerWaalsContact CE1-CE 3.43Å; F55-K70 HydrophobicContact CE1-CG 3.56Å; F55-K70 HydrophobicContact CZ-CD 4.27Å; F55-K70 HydrophobicContact CZ-CG 4.34Å; L67-K70 HydrophobicContact CD1-CB 4.42Å; L67-K70 HydrophobicContact CD2-CB 4.42Å; K70-I72 HydrophobicContact CD-CD1 4.39Å; K70-I72 HydrophobicContact CD-CG1 4.31Å; K70-I72 HydrophobicContact CG-CG1 4.32Å
71	V	97.9	Very high	97.1	Very high	8 Å²	8	68.4 Å²	68.4	5%	0.048	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.8	170.6	-177.9	0	0	0	0	109	L54 T73 Q76 Y87 F94	L54-V71 PolarHBondContact N-O 2.92Å; L54-V71 PolarHBondContact O-N 2.96Å; V71-T73 WeakPolarHBondContact CG1-O 3.46Å; V71-Q76 HydrophobicContact CG1-CB 3.79Å; V71-Y87 HydrophobicContact CG1-CD1 4.21Å; V71-Y87 HydrophobicContact CG1-CG 4.47Å; V71-F94 HydrophobicContact CB-CE2 3.78Å; V71-F94 HydrophobicContact CB-CZ 3.86Å; V71-F94 HydrophobicContact CG2-CE2 3.73Å; V71-F94 HydrophobicContact CG2-CZ 3.69Å
72	I	95.4	Very high	97.1	Very high	91 Å²	91	65.7 Å²	65.7	47%	0.467	40%	0.404	S	S	.	.			trans	-102.9	-39.2	-175.4	-63.8	173.1	0	0	0	110.6	N53 K70	N53-I72 WeakPolarHBondContact OD1-CG1 3.27Å; N53-I72 VanDerWaalsContact OD1-CG2 3.27Å; N53-I72 WeakPolarHBondContact OD1-CG2 3.48Å; K70-I72 HydrophobicContact CD-CD1 4.39Å; K70-I72 HydrophobicContact CD-CG1 4.31Å; K70-I72 HydrophobicContact CG-CG1 4.32Å
73	T	94.6	Very high	97.2	Very high	74 Å²	74	61.2 Å²	61.2	45%	0.454	36%	0.358	S	S	.	.	S	Bend	trans	-95	127.5	-174.7	-38	0	0	0	0	110.4	V71 Q76 Y87	V71-T73 WeakPolarHBondContact CG1-O 3.46Å; T73-Q76 HydrophobicContact CG2-CG 4.38Å; T73-Q76 WeakPolarHBondContact O-CB 3.41Å; T73-Q76 PolarHBondContact O-N 2.76Å; T73-Q76 VanDerWaalsContact O-N 3.16Å; T73-Q76 PolarHBondContact OG1-OE1 2.91Å; T73-Y87 WeakPolarHBondContact O-CD1 3.44Å
74	A	92.9	Very high	97.3	Very high	35 Å²	35	60 Å²	60	29%	0.289	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	140.8	170.8	0	0	0	0	0	111.3	Q76 Y87 K89	A74-Q76 PolarHBondContact O-N 2.81Å; A74-Y87 HydrophobicContact CB-CD1 4.37Å; A74-Y87 HydrophobicContact CB-CE1 4.31Å; A74-K89 HydrophobicContact CB-CB 3.92Å; A74-K89 HydrophobicContact CB-CD 4.14Å
75	G	94.8	Very high	97.3	Very high	58 Å²	58	57.6 Å²	57.6	60%	0.598	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-10	-177.2	0	0	0	0	0	114.7	Y87	G75-Y87 WeakPolarHBondContact CA-O 3.47Å; G75-Y87 PolarHBondContact N-O 3.15Å
76	Q	97.4	Very high	97.4	Very high	105 Å²	105	56.2 Å²	56.2	49%	0.491	32%	0.323	S	S	.	.			trans	-81.9	153.6	175.4	-70.7	-170.3	-39.2	0	0	112.4	V71 T73 A74 Y87	V71-Q76 HydrophobicContact CG1-CB 3.79Å; T73-Q76 HydrophobicContact CG2-CG 4.38Å; T73-Q76 WeakPolarHBondContact O-CB 3.41Å; T73-Q76 PolarHBondContact O-N 2.76Å; T73-Q76 VanDerWaalsContact O-N 3.16Å; T73-Q76 PolarHBondContact OG1-OE1 2.91Å; A74-Q76 PolarHBondContact O-N 2.81Å; Q76-Y87 PolarHBondContact O-N 3.01Å
77	K	98	Very high	97.3	Very high	114 Å²	114	53.3 Å²	53.3	50%	0.496	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.1	174.3	-175	-177.6	-176.1	-172.1	0	109.3	E84 A85	K77-E84 WeakPolarHBondContact CE-OE1 3.35Å; K77-E84 WeakPolarHBondContact CE-OE2 3.3Å; K77-E84 IonicContact NZ-OE1 2.78Å; K77-E84 PolarHBondContact NZ-OE1 3.46Å; K77-E84 IonicContact NZ-OE2 2.66Å; K77-E84 PolarHBondContact NZ-OE2 2.82Å; K77-A85 CarbonylContact C-O 3.59Å; K77-A85 WeakPolarHBondContact CA-O 2.98Å
78	G	97.8	Very high	97.3	Very high	13 Å²	13	51.9 Å²	51.9	13%	0.134	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	150.9	169.3	0	0	0	0	0	110.7	E84 A85	G78-E84 VanDerWaalsContact O-CA 3.31Å; G78-E84 WeakPolarHBondContact O-CA 3.5Å; G78-A85 PolarHBondContact N-O 3.18Å; G78-A85 PolarHBondContact O-N 2.89Å
79	S	98.3	Very high	97	Very high	88 Å²	88	54.9 Å²	54.9	62%	0.615	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143	146.6	172.4	64.5	0	0	0	0	111.9	F83	S79-F83 CarbonylContact C-O 3.55Å; S79-F83 WeakPolarHBondContact CA-O 3.19Å; S79-F83 WeakPolarHBondContact CB-O 3.24Å
80	S	98.3	Very high	96.8	Very high	39 Å²	39	62 Å²	62	27%	0.273	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	134.4	179.5	178.4	0	0	0	0	110	L68 G82 F83	L68-S80 WeakPolarHBondContact O-CB 3.34Å; L68-S80 PolarHBondContact O-OG 3.08Å; S80-G82 PolarHBondContact O-N 2.87Å; S80-G82 VanDerWaalsContact O-N 3.09Å; S80-F83 PolarHBondContact N-O 2.84Å; S80-F83 WeakPolarHBondContact O-CA 3.3Å; S80-F83 VanDerWaalsContact O-CB 3.32Å; S80-F83 WeakPolarHBondContact O-CB 3.32Å; S80-F83 PolarHBondContact O-N 2.83Å
81	R	96.9	Very high	96.8	Very high	107 Å²	107	59.8 Å²	59.8	40%	0.404	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	34.6	179	-62.7	-173.5	-79.7	-155.8	-10.6	114.3	L68 F83 K98	L68-R81 HydrophobicContact CD1-CB 4.39Å; R81-F83 HydrophobicContact CB-CD2 4.31Å; R81-F83 WeakPolarHBondContact O-CD2 3.36Å; R81-F83 PolarHBondContact O-N 2.02Å; R81-K98 PolarHBondContact O-NZ 2.77Å
82	G	97.4	Very high	96.6	Very high	54 Å²	54	62.5 Å²	62.5	56%	0.557	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	1.6	-176.8	0	0	0	0	0	115.1	S80	S80-G82 PolarHBondContact O-N 2.87Å; S80-G82 VanDerWaalsContact O-N 3.09Å
83	F	98.6	Very high	96.8	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	151	167.1	-66.8	-88.9	0	0	0	110.9	L68 L69 S79 S80 R81 L96 Q97 K98 D105 Y109	L68-F83 HydrophobicContact CD1-CD2 4.07Å; L68-F83 HydrophobicContact CD2-CB 4.15Å; L68-F83 HydrophobicContact CD2-CD1 4.43Å; L68-F83 HydrophobicContact CD2-CD2 4.05Å; L68-F83 HydrophobicContact CD2-CG 3.95Å; L69-F83 HydrophobicContact CD2-CB 4.11Å; S79-F83 CarbonylContact C-O 3.55Å; S79-F83 WeakPolarHBondContact CA-O 3.19Å; S79-F83 WeakPolarHBondContact CB-O 3.24Å; S80-F83 PolarHBondContact N-O 2.84Å; S80-F83 WeakPolarHBondContact O-CA 3.3Å; S80-F83 VanDerWaalsContact O-CB 3.32Å; S80-F83 WeakPolarHBondContact O-CB 3.32Å; S80-F83 PolarHBondContact O-N 2.83Å; R81-F83 HydrophobicContact CB-CD2 4.31Å; R81-F83 WeakPolarHBondContact O-CD2 3.36Å; R81-F83 PolarHBondContact O-N 2.02Å; F83-L96 HydrophobicContact CB-CD1 3.86Å; F83-L96 HydrophobicContact CB-CG 4.43Å; F83-L96 HydrophobicContact CD1-CD1 4.14Å; F83-L96 HydrophobicContact CD1-CD2 3.77Å; F83-L96 HydrophobicContact CD1-CG 3.79Å; F83-L96 HydrophobicContact CE1-CD2 4.16Å; F83-L96 HydrophobicContact CG-CD1 4.35Å; F83-L96 HydrophobicContact CG-CD2 4.5Å; F83-L96 HydrophobicContact CG-CG 4.48Å; F83-Q97 CarbonylContact C-O 3.55Å; F83-Q97 VanDerWaalsContact CA-O 3.27Å; F83-Q97 WeakPolarHBondContact CA-O 3.41Å; F83-K98 HydrophobicContact CD1-CB 3.73Å; F83-K98 HydrophobicContact CD1-CD 3.93Å; F83-K98 HydrophobicContact CD1-CG 4.41Å; F83-K98 HydrophobicContact CD2-CD 4.01Å; F83-K98 HydrophobicContact CE1-CB 3.78Å; F83-K98 HydrophobicContact CE1-CD 3.59Å; F83-K98 HydrophobicContact CE1-CG 4.33Å; F83-K98 HydrophobicContact CE2-CD 3.67Å; F83-K98 HydrophobicContact CG-CB 4.44Å; F83-K98 HydrophobicContact CG-CD 4.12Å; F83-K98 HydrophobicContact CZ-CD 3.44Å; F83-K98 VanDerWaalsContact CZ-CD 3.44Å; F83-D105 HydrophobicContact CZ-CB 4.14Å; F83-Y109 AromaticContact CE1-CE1 3.95Å; F83-Y109 HydrophobicContact CE1-CE1 3.95Å; F83-Y109 HydrophobicContact CE2-CE1 4.26Å; F83-Y109 AromaticContact CZ-CE1 3.76Å; F83-Y109 HydrophobicContact CZ-CE1 3.76Å; F83-Y109 AromaticContact CZ-CZ 3.7Å; F83-Y109 WeakPolarHBondContact CZ-OH 3.49Å
84	E	98.7	Very high	96.9	Very high	76 Å²	76	54.9 Å²	54.9	36%	0.355	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.4	-179.5	-58.7	-172.2	131	0	0	110.5	K77 G78 L96 Q97	K77-E84 WeakPolarHBondContact CE-OE1 3.35Å; K77-E84 WeakPolarHBondContact CE-OE2 3.3Å; K77-E84 IonicContact NZ-OE1 2.78Å; K77-E84 PolarHBondContact NZ-OE1 3.46Å; K77-E84 IonicContact NZ-OE2 2.66Å; K77-E84 PolarHBondContact NZ-OE2 2.82Å; G78-E84 VanDerWaalsContact O-CA 3.31Å; G78-E84 WeakPolarHBondContact O-CA 3.5Å; E84-L96 CarbonylContact O-C 3.5Å; E84-Q97 PolarHBondContact N-O 3.31Å; E84-Q97 PolarHBondContact O-N 2.83Å
85	A	98.6	Very high	97.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	136.6	169.9	0	0	0	0	0	110	L69 K77 G78 F94 H95 L96	L69-A85 HydrophobicContact CD1-CB 3.64Å; K77-A85 CarbonylContact C-O 3.59Å; K77-A85 WeakPolarHBondContact CA-O 2.98Å; G78-A85 PolarHBondContact N-O 3.18Å; G78-A85 PolarHBondContact O-N 2.89Å; A85-F94 HydrophobicContact CB-CD1 4.4Å; A85-F94 HydrophobicContact CB-CD2 4.01Å; A85-F94 HydrophobicContact CB-CE1 4.09Å; A85-F94 HydrophobicContact CB-CE2 3.63Å; A85-F94 HydrophobicContact CB-CG 4.38Å; A85-F94 HydrophobicContact CB-CZ 3.68Å; A85-H95 WeakPolarHBondContact CA-O 3.25Å; A85-H95 WeakPolarHBondContact CB-O 3.5Å; A85-L96 HydrophobicContact CB-CD1 4.49Å
86	T	98.5	Very high	97.4	Very high	57 Å²	57	53 Å²	53	35%	0.35	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	129	177.1	-58.3	0	0	0	0	108.9	N88	T86-N88 PolarHBondContact O-N 2.86Å
87	Y	97.8	Very high	97.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.286	C	S	.	.			trans	-74.7	94.5	171.3	-173.7	173.4	0	0	0	109.3	Y44 Y51 P52 L54 V71 T73 A74 G75 Q76 K89	Y44-Y87 AromaticContact CE1-CE2 3.8Å; Y44-Y87 HydrophobicContact CE1-CE2 3.8Å; Y44-Y87 AromaticContact CZ-CE2 3.87Å; Y44-Y87 WeakPolarHBondContact OH-CE2 2.97Å; Y44-Y87 PolarHBondContact OH-OH 3.43Å; Y51-Y87 WeakPolarHBondContact CB-OH 3.4Å; P52-Y87 VanDerWaalsContact CD-OH 3.27Å; P52-Y87 WeakPolarHBondContact CD-OH 3.27Å; P52-Y87 VanDerWaalsContact O-CE1 3.29Å; P52-Y87 WeakPolarHBondContact O-CE1 3.44Å; P52-Y87 PolarHBondContact O-OH 3.42Å; L54-Y87 HydrophobicContact CD1-CD1 3.86Å; L54-Y87 HydrophobicContact CD1-CD2 3.22Å; L54-Y87 HydrophobicContact CD1-CE1 3.86Å; L54-Y87 HydrophobicContact CD1-CE2 3.25Å; L54-Y87 HydrophobicContact CD1-CG 3.56Å; L54-Y87 HydrophobicContact CG-CE1 4.4Å; L54-Y87 HydrophobicContact CG-CE2 4.38Å; V71-Y87 HydrophobicContact CG1-CD1 4.21Å; V71-Y87 HydrophobicContact CG1-CG 4.47Å; T73-Y87 WeakPolarHBondContact O-CD1 3.44Å; A74-Y87 HydrophobicContact CB-CD1 4.37Å; A74-Y87 HydrophobicContact CB-CE1 4.31Å; G75-Y87 WeakPolarHBondContact CA-O 3.47Å; G75-Y87 PolarHBondContact N-O 3.15Å; Q76-Y87 PolarHBondContact O-N 3.01Å; Y87-K89 HydrophobicContact CE2-CB 4.38Å
88	N	97	Very high	97.5	Very high	60 Å²	60	47.1 Å²	47.1	32%	0.321	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-93.1	106	173.3	-171.1	-30.8	0	0	0	110.1	T86 E90 A91 T92 S93	T86-N88 PolarHBondContact O-N 2.86Å; N88-E90 PolarHBondContact OD1-N 2.83Å; N88-E90 PolarHBondContact OD1-OE2 3.16Å; N88-A91 HydrophobicContact CB-CB 4.34Å; N88-A91 WeakPolarHBondContact OD1-CB 3.4Å; N88-A91 PolarHBondContact OD1-N 2.89Å; N88-T92 WeakPolarHBondContact O-CA 3.47Å; N88-T92 PolarHBondContact O-N 2.94Å; N88-S93 PolarHBondContact N-O 3.34Å; N88-S93 PolarHBondContact O-N 3.34Å
89	K	93.3	Very high	97.5	Very high	69 Å²	69	50.5 Å²	50.5	30%	0.3	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-40.1	-178.3	174.9	-169.6	145.9	-171.1	0	111.3	Y51 A74 Y87 T92	Y51-K89 HydrophobicContact CD1-CD 3.8Å; Y51-K89 HydrophobicContact CD1-CG 4.05Å; Y51-K89 HydrophobicContact CE1-CD 3.34Å; Y51-K89 HydrophobicContact CE1-CG 3.88Å; Y51-K89 HydrophobicContact CE2-CD 4.27Å; Y51-K89 HydrophobicContact CG-CD 4.47Å; Y51-K89 VanDerWaalsContact OH-CE 3.24Å; Y51-K89 WeakPolarHBondContact OH-CE 3.46Å; Y51-K89 PolarHBondContact OH-NZ 3.05Å; A74-K89 HydrophobicContact CB-CB 3.92Å; A74-K89 HydrophobicContact CB-CD 4.14Å; Y87-K89 HydrophobicContact CE2-CB 4.38Å; K89-T92 PolarHBondContact O-N 3.04Å; K89-T92 VanDerWaalsContact O-N 3.12Å
90	E	93.6	Very high	97.5	Very high	158 Å²	158	49 Å²	49	74%	0.738	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-41	-176.6	-65.6	67.4	-149.1	0	0	111.3	N88 T92	N88-E90 PolarHBondContact OD1-N 2.83Å; N88-E90 PolarHBondContact OD1-OE2 3.16Å; E90-T92 VanDerWaalsContact C-N 3.32Å
91	A	96.2	Very high	97.4	Very high	50 Å²	50	47.6 Å²	47.6	41%	0.413	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	0.1	175.3	0	0	0	0	0	113.2	N88 S93	N88-A91 HydrophobicContact CB-CB 4.34Å; N88-A91 WeakPolarHBondContact OD1-CB 3.4Å; N88-A91 PolarHBondContact OD1-N 2.89Å; A91-S93 VanDerWaalsContact C-N 3.29Å; A91-S93 PolarHBondContact O-N 3.35Å
92	T	95.8	Very high	97.5	Very high	65 Å²	65	48 Å²	48	40%	0.399	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	49.7	-174.7	54.3	0	0	0	0	112.4	T43 Y44 N88 K89 E90	T43-T92 CarbonylContact C-O 3.53Å; T43-T92 WeakPolarHBondContact CA-O 3.39Å; T43-T92 WeakPolarHBondContact CB-O 3.41Å; Y44-T92 WeakPolarHBondContact CD1-O 3.45Å; Y44-T92 HydrophobicContact CE2-CG2 4.43Å; Y44-T92 PolarHBondContact N-O 3.07Å; Y44-T92 WeakPolarHBondContact O-CB 3.32Å; N88-T92 WeakPolarHBondContact O-CA 3.47Å; N88-T92 PolarHBondContact O-N 2.94Å; K89-T92 PolarHBondContact O-N 3.04Å; K89-T92 VanDerWaalsContact O-N 3.12Å; E90-T92 VanDerWaalsContact C-N 3.32Å
93	S	97.7	Very high	97.5	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.028	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-138.5	156.2	-169.8	82	0	0	0	0	115.5	C42 N88 A91 H95	C42-S93 WeakPolarHBondContact O-CA 3.44Å; C42-S93 WeakPolarHBondContact O-CB 3.24Å; N88-S93 PolarHBondContact N-O 3.34Å; N88-S93 PolarHBondContact O-N 3.34Å; A91-S93 VanDerWaalsContact C-N 3.29Å; A91-S93 PolarHBondContact O-N 3.35Å; S93-H95 WeakPolarHBondContact CB-NE2 3.43Å; S93-H95 PolarHBondContact OG-CD2 2.86Å; S93-H95 PolarHBondContact OG-NE2 2.75Å
94	F	98.3	Very high	97.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.312	C	S	.	.			trans	-149	53.3	-177.5	-160.2	-127.3	0	0	0	111.3	C42 L54 W56 L69 V71 A85 L96	C42-F94 PolarHBondContact O-N 2.75Å; L54-F94 HydrophobicContact CB-CB 4.38Å; L54-F94 HydrophobicContact CB-CD1 3.6Å; L54-F94 HydrophobicContact CB-CD2 4.05Å; L54-F94 HydrophobicContact CB-CE1 3.75Å; L54-F94 HydrophobicContact CB-CE2 4.23Å; L54-F94 HydrophobicContact CB-CG 3.75Å; L54-F94 HydrophobicContact CB-CZ 4.08Å; L54-F94 HydrophobicContact CD1-CB 3.95Å; L54-F94 HydrophobicContact CD1-CD2 4.02Å; L54-F94 HydrophobicContact CD1-CG 3.96Å; L54-F94 HydrophobicContact CG-CG 4.39Å; W56-F94 AromaticContact CD1-CD1 3.43Å; W56-F94 VanDerWaalsContact CD1-CD1 3.43Å; W56-F94 AromaticContact CD1-CE1 3.4Å; W56-F94 HydrophobicContact CG-CE1 4.45Å; W56-F94 AromaticContact NE1-CD1 3.5Å; W56-F94 AromaticContact NE1-CE1 3.97Å; W56-F94 PolarHBondContact NE1-O 2.88Å; L69-F94 HydrophobicContact CD1-CE1 3.72Å; L69-F94 HydrophobicContact CD1-CZ 3.7Å; V71-F94 HydrophobicContact CB-CE2 3.78Å; V71-F94 HydrophobicContact CB-CZ 3.86Å; V71-F94 HydrophobicContact CG2-CE2 3.73Å; V71-F94 HydrophobicContact CG2-CZ 3.69Å; A85-F94 HydrophobicContact CB-CD1 4.4Å; A85-F94 HydrophobicContact CB-CD2 4.01Å; A85-F94 HydrophobicContact CB-CE1 4.09Å; A85-F94 HydrophobicContact CB-CE2 3.63Å; A85-F94 HydrophobicContact CB-CG 4.38Å; A85-F94 HydrophobicContact CB-CZ 3.68Å; F94-L96 PolarHBondContact O-N 2.87Å
95	H	98.6	Very high	97.3	Very high	52 Å²	52	53.6 Å²	53.6	24%	0.241	30%	0.299	C	S	.	.			trans	-62.2	132.4	-177.6	-48.5	-76.2	0	0	0	111.4	I39 I40 N41 C42 A85 S93	I39-H95 HydrophobicContact CG2-CB 4.11Å; I40-H95 WeakPolarHBondContact O-CA 2.97Å; N41-H95 VanDerWaalsContact CA-ND1 3.32Å; N41-H95 WeakPolarHBondContact CA-ND1 3.44Å; N41-H95 PolarHBondContact OD1-ND1 2.82Å; N41-H95 VanDerWaalsContact OD1-ND1 3.07Å; C42-H95 PolarHBondContact N-ND1 2.88Å; A85-H95 WeakPolarHBondContact CA-O 3.25Å; A85-H95 WeakPolarHBondContact CB-O 3.5Å; S93-H95 WeakPolarHBondContact CB-NE2 3.43Å; S93-H95 PolarHBondContact OG-CD2 2.86Å; S93-H95 PolarHBondContact OG-NE2 2.75Å
96	L	98.7	Very high	97.3	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	130	172.3	-170.3	69.2	0	0	0	109.3	I39 I40 W56 L68 L69 F83 E84 A85 F94 Y109	I39-L96 CarbonylContact C-O 3.6Å; I39-L96 WeakPolarHBondContact CA-O 3.33Å; I40-L96 HydrophobicContact CB-CB 4.25Å; I40-L96 HydrophobicContact CD1-CD2 4.22Å; I40-L96 PolarHBondContact N-O 2.83Å; I40-L96 PolarHBondContact O-N 3.09Å; W56-L96 HydrophobicContact CB-CD1 4.26Å; W56-L96 HydrophobicContact CD2-CB 3.85Å; W56-L96 HydrophobicContact CD2-CD1 4.27Å; W56-L96 HydrophobicContact CD2-CD2 4.03Å; W56-L96 HydrophobicContact CD2-CG 4.28Å; W56-L96 VanDerWaalsContact CE2-CB 3.47Å; W56-L96 HydrophobicContact CE3-CB 4.4Å; W56-L96 HydrophobicContact CE3-CD2 4.04Å; W56-L96 HydrophobicContact CG-CB 4.25Å; W56-L96 HydrophobicContact CG-CD1 3.87Å; W56-L96 HydrophobicContact CG-CD2 4.34Å; W56-L96 HydrophobicContact CG-CG 4.4Å; W56-L96 HydrophobicContact CH2-CB 4.27Å; W56-L96 HydrophobicContact CZ2-CB 3.68Å; L68-L96 HydrophobicContact CD2-CD1 4.02Å; L68-L96 HydrophobicContact CD2-CD2 3.87Å; L69-L96 HydrophobicContact CD1-CD1 4.22Å; L69-L96 HydrophobicContact CD2-CD1 3.58Å; L69-L96 HydrophobicContact CG-CD1 4.19Å; F83-L96 HydrophobicContact CB-CD1 3.86Å; F83-L96 HydrophobicContact CB-CG 4.43Å; F83-L96 HydrophobicContact CD1-CD1 4.14Å; F83-L96 HydrophobicContact CD1-CD2 3.77Å; F83-L96 HydrophobicContact CD1-CG 3.79Å; F83-L96 HydrophobicContact CE1-CD2 4.16Å; F83-L96 HydrophobicContact CG-CD1 4.35Å; F83-L96 HydrophobicContact CG-CD2 4.5Å; F83-L96 HydrophobicContact CG-CG 4.48Å; E84-L96 CarbonylContact O-C 3.5Å; A85-L96 HydrophobicContact CB-CD1 4.49Å; F94-L96 PolarHBondContact O-N 2.87Å; L96-Y109 HydrophobicContact CD2-CD1 3.56Å; L96-Y109 HydrophobicContact CD2-CE1 4.09Å; L96-Y109 HydrophobicContact CD2-CG 4.21Å
97	Q	98.5	Very high	97.2	Very high	79 Å²	79	56.2 Å²	56.2	37%	0.369	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145	-177.4	-57.5	-178.6	46.6	0	0	110.1	L38 I39 F83 E84	L38-Q97 WeakPolarHBondContact O-CA 3.33Å; I39-Q97 HydrophobicContact CG1-CG 4.13Å; I39-Q97 HydrophobicContact CG2-CG 4.25Å; F83-Q97 CarbonylContact C-O 3.55Å; F83-Q97 VanDerWaalsContact CA-O 3.27Å; F83-Q97 WeakPolarHBondContact CA-O 3.41Å; E84-Q97 PolarHBondContact N-O 3.31Å; E84-Q97 PolarHBondContact O-N 2.83Å
98	K	98.3	Very high	97.2	Very high	18 Å²	18	59.7 Å²	59.7	8%	0.078	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	126.8	167.9	-176.9	154.1	-175.7	161.3	0	108.8	S37 L38 R81 F83 S100 V101 D105	S37-K98 CarbonylContact C-O 3.55Å; S37-K98 VanDerWaalsContact CA-O 3.24Å; S37-K98 WeakPolarHBondContact CA-O 3.24Å; L38-K98 PolarHBondContact N-O 3.29Å; L38-K98 PolarHBondContact O-N 2.87Å; R81-K98 PolarHBondContact O-NZ 2.77Å; F83-K98 HydrophobicContact CD1-CB 3.73Å; F83-K98 HydrophobicContact CD1-CD 3.93Å; F83-K98 HydrophobicContact CD1-CG 4.41Å; F83-K98 HydrophobicContact CD2-CD 4.01Å; F83-K98 HydrophobicContact CE1-CB 3.78Å; F83-K98 HydrophobicContact CE1-CD 3.59Å; F83-K98 HydrophobicContact CE1-CG 4.33Å; F83-K98 HydrophobicContact CE2-CD 3.67Å; F83-K98 HydrophobicContact CG-CB 4.44Å; F83-K98 HydrophobicContact CG-CD 4.12Å; F83-K98 HydrophobicContact CZ-CD 3.44Å; F83-K98 VanDerWaalsContact CZ-CD 3.44Å; K98-S100 VanDerWaalsContact C-N 3.34Å; K98-S100 VanDerWaalsContact CE-O 3.23Å; K98-S100 WeakPolarHBondContact CE-O 3.03Å; K98-S100 PolarHBondContact O-N 3.18Å; K98-V101 HydrophobicContact CB-CG1 4.23Å; K98-V101 HydrophobicContact CD-CG1 4.38Å; K98-V101 HydrophobicContact CG-CG1 4.18Å; K98-D105 WeakPolarHBondContact CD-OD2 3.32Å; K98-D105 WeakPolarHBondContact CE-OD2 3.46Å; K98-D105 IonicContact NZ-OD1 2.65Å; K98-D105 PolarHBondContact NZ-OD1 2.72Å; K98-D105 IonicContact NZ-OD2 2.88Å; K98-D105 PolarHBondContact NZ-OD2 2.93Å
99	A	98.1	Very high	97.3	Very high	84 Å²	84	57.8 Å²	57.8	69%	0.694	33%	0.331	S	S	*	.	S	Bend	trans	-70.7	-31.7	-174.1	0	0	0	0	0	113	K36 S37	K36-A99 CarbonylContact C-O 3.51Å; S37-A99 WeakPolarHBondContact CA-O 3.23Å; S37-A99 PolarHBondContact N-O 2.93Å
100	S	97.9	Very high	97.5	Very high	55 Å²	55	58.7 Å²	58.7	39%	0.385	33%	0.333	S	S	.	.	S	Bend	trans	-146.9	106.9	-177.1	-179.9	0	0	0	0	108.8	S35 K36 K98	S35-S100 WeakPolarHBondContact CA-OG 3.08Å; K36-S100 WeakPolarHBondContact O-CA 3.21Å; K98-S100 VanDerWaalsContact C-N 3.34Å; K98-S100 VanDerWaalsContact CE-O 3.23Å; K98-S100 WeakPolarHBondContact CE-O 3.03Å; K98-S100 PolarHBondContact O-N 3.18Å
101	V	97.8	Very high	97.7	Very high	10 Å²	10	51.6 Å²	51.6	6%	0.061	30%	0.301	C	S	.	.			trans	-83.6	149.8	179.2	-60.3	0	0	0	0	112.1	V32 S33 E34 S35 K36 L38 K98 D105	V32-V101 HydrophobicContact CB-CG2 4.28Å; V32-V101 HydrophobicContact CG1-CG2 3.85Å; S33-V101 WeakPolarHBondContact O-CG2 3.27Å; E34-V101 WeakPolarHBondContact CA-O 3.36Å; S35-V101 PolarHBondContact N-O 3.2Å; K36-V101 WeakPolarHBondContact O-CG2 3.45Å; K36-V101 PolarHBondContact O-N 3.12Å; L38-V101 HydrophobicContact CB-CG1 3.51Å; L38-V101 HydrophobicContact CD2-CG1 4.07Å; L38-V101 HydrophobicContact CG-CG1 4.45Å; K98-V101 HydrophobicContact CB-CG1 4.23Å; K98-V101 HydrophobicContact CD-CG1 4.38Å; K98-V101 HydrophobicContact CG-CG1 4.18Å; V101-D105 WeakPolarHBondContact CA-OD2 3.38Å
102	Q	97.9	Very high	97.8	Very high	115 Å²	115	50.6 Å²	50.6	54%	0.537	29%	0.292	S	S	.	.			trans	-125.3	161.6	175.9	-60	175.3	39.4	0	0	109.7	S104 D105	Q102-S104 PolarHBondContact O-N 3.04Å; Q102-S104 VanDerWaalsContact O-N 3.15Å; Q102-D105 PolarHBondContact N-OD2 2.76Å; Q102-D105 VanDerWaalsContact O-CB 3.24Å; Q102-D105 WeakPolarHBondContact O-CB 3.36Å; Q102-D105 PolarHBondContact O-N 3.36Å
103	E	96.9	Very high	97.8	Very high	152 Å²	152	49 Å²	49	71%	0.71	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-52.3	-38.2	176.3	-173.5	-177.4	-179.3	0	0	112.7	E34 D105 S106	E34-E103 WeakPolarHBondContact OE1-CB 3.29Å; E34-E103 PolarHBondContact OE1-N 3.06Å; E103-D105 PolarHBondContact O-N 2.86Å; E103-D105 VanDerWaalsContact O-N 3.09Å; E103-S106 WeakPolarHBondContact O-CB 3.49Å; E103-S106 PolarHBondContact O-N 3.43Å; E103-S106 PolarHBondContact O-OG 3.03Å
104	S	96.4	Very high	97.5	Very high	82 Å²	82	53.3 Å²	53.3	57%	0.573	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-63.2	-12.1	177.1	62.9	0	0	0	0	114.6	Y60 Q102 S106	Y60-S104 VanDerWaalsContact CE1-O 3.32Å; Y60-S104 WeakPolarHBondContact CE1-O 3.44Å; Q102-S104 PolarHBondContact O-N 3.04Å; Q102-S104 VanDerWaalsContact O-N 3.15Å; S104-S106 VanDerWaalsContact C-N 3.27Å
105	D	97.7	Very high	97.5	Very high	15 Å²	15	56 Å²	56	8%	0.08	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-82.8	-2.9	173.1	-63.4	-45.5	0	0	0	113.1	F83 K98 V101 Q102 E103 A107 Y109	F83-D105 HydrophobicContact CZ-CB 4.14Å; K98-D105 WeakPolarHBondContact CD-OD2 3.32Å; K98-D105 WeakPolarHBondContact CE-OD2 3.46Å; K98-D105 IonicContact NZ-OD1 2.65Å; K98-D105 PolarHBondContact NZ-OD1 2.72Å; K98-D105 IonicContact NZ-OD2 2.88Å; K98-D105 PolarHBondContact NZ-OD2 2.93Å; V101-D105 WeakPolarHBondContact CA-OD2 3.38Å; Q102-D105 PolarHBondContact N-OD2 2.76Å; Q102-D105 VanDerWaalsContact O-CB 3.24Å; Q102-D105 WeakPolarHBondContact O-CB 3.36Å; Q102-D105 PolarHBondContact O-N 3.36Å; E103-D105 PolarHBondContact O-N 2.86Å; E103-D105 VanDerWaalsContact O-N 3.09Å; D105-A107 PolarHBondContact O-N 3.29Å; D105-Y109 WeakPolarHBondContact O-CE2 3.43Å; D105-Y109 PolarHBondContact O-OH 3.41Å
106	S	97.6	Very high	97.4	Very high	80 Å²	80	56.2 Å²	56.2	56%	0.559	33%	0.332	S	S	*	.			trans	-66.6	105	178.5	-60.8	0	0	0	0	110.9	E103 S104	E103-S106 WeakPolarHBondContact O-CB 3.49Å; E103-S106 PolarHBondContact O-N 3.43Å; E103-S106 PolarHBondContact O-OG 3.03Å; S104-S106 VanDerWaalsContact C-N 3.27Å
107	A	97.6	Very high	97.3	Very high	31 Å²	31	59.3 Å²	59.3	26%	0.256	35%	0.35	S	S	.	.	S	Bend	trans	-160.3	173.6	-175.7	0	0	0	0	0	111.3	V58 R59 Y60 D105 Y109	V58-A107 HydrophobicContact CG2-CB 3.44Å; V58-A107 VanDerWaalsContact CG2-CB 3.44Å; R59-A107 WeakPolarHBondContact O-CB 3.38Å; Y60-A107 HydrophobicContact CD1-CB 3.61Å; Y60-A107 HydrophobicContact CE1-CB 3.79Å; Y60-A107 HydrophobicContact CG-CB 4.23Å; D105-A107 PolarHBondContact O-N 3.29Å; A107-Y109 HydrophobicContact CB-CD2 4.47Å; A107-Y109 HydrophobicContact CB-CE2 3.8Å; A107-Y109 WeakPolarHBondContact O-CD2 3.3Å; A107-Y109 WeakPolarHBondContact O-CE2 3.39Å
108	V	97.9	Very high	97.3	Very high	74 Å²	74	58.1 Å²	58.1	45%	0.448	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	129.2	167.7	-169.9	0	0	0	0	109.3	V58 R59 Y110	V58-V108 CarbonylContact C-O 3.59Å; V58-V108 WeakPolarHBondContact CA-O 3.41Å; R59-V108 PolarHBondContact N-O 3.13Å; R59-V108 PolarHBondContact O-N 2.98Å; V108-Y110 HydrophobicContact CB-CE2 4Å; V108-Y110 HydrophobicContact CG1-CD2 4.25Å; V108-Y110 HydrophobicContact CG1-CE1 4.05Å; V108-Y110 HydrophobicContact CG1-CE2 3.51Å; V108-Y110 WeakPolarHBondContact CG1-OH 3.37Å
109	Y	98.2	Very high	97.2	Very high	19 Å²	19	60.6 Å²	60.6	8%	0.075	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.3	-178.7	-63	-95.2	0	0	0	110.4	Q25 I40 Y57 V58 L68 F83 L96 D105 A107	Q25-Y109 PolarHBondContact NE2-O 2.98Å; Q25-Y109 VanDerWaalsContact NE2-O 3.16Å; I40-Y109 HydrophobicContact CD1-CD2 3.75Å; I40-Y109 HydrophobicContact CD1-CG 3.76Å; Y57-Y109 WeakPolarHBondContact O-CA 3.4Å; V58-Y109 HydrophobicContact CB-CD1 4.03Å; V58-Y109 HydrophobicContact CB-CE1 4Å; V58-Y109 HydrophobicContact CG2-CD1 3.87Å; V58-Y109 HydrophobicContact CG2-CE1 3.52Å; V58-Y109 HydrophobicContact CG2-CE2 4.46Å; V58-Y109 HydrophobicContact CG2-CG 4.48Å; L68-Y109 HydrophobicContact CD2-CD1 3.98Å; L68-Y109 HydrophobicContact CD2-CE1 3.89Å; F83-Y109 AromaticContact CE1-CE1 3.95Å; F83-Y109 HydrophobicContact CE1-CE1 3.95Å; F83-Y109 HydrophobicContact CE2-CE1 4.26Å; F83-Y109 AromaticContact CZ-CE1 3.76Å; F83-Y109 HydrophobicContact CZ-CE1 3.76Å; F83-Y109 AromaticContact CZ-CZ 3.7Å; F83-Y109 WeakPolarHBondContact CZ-OH 3.49Å; L96-Y109 HydrophobicContact CD2-CD1 3.56Å; L96-Y109 HydrophobicContact CD2-CE1 4.09Å; L96-Y109 HydrophobicContact CD2-CG 4.21Å; D105-Y109 WeakPolarHBondContact O-CE2 3.43Å; D105-Y109 PolarHBondContact O-OH 3.41Å; A107-Y109 HydrophobicContact CB-CD2 4.47Å; A107-Y109 HydrophobicContact CB-CE2 3.8Å; A107-Y109 WeakPolarHBondContact O-CD2 3.3Å; A107-Y109 WeakPolarHBondContact O-CE2 3.39Å
110	Y	98.3	Very high	97.1	Very high	89 Å²	89	59.1 Å²	59.1	35%	0.349	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.8	-178	-61.6	-83.3	0	0	0	110.5	W56 Y57 R59 L65 V108	W56-Y110 CarbonylContact C-O 3.6Å; W56-Y110 WeakPolarHBondContact CA-O 3.26Å; W56-Y110 VanDerWaalsContact CE3-C 3.41Å; Y57-Y110 PolarHBondContact N-O 2.87Å; Y57-Y110 PolarHBondContact O-N 3.29Å; R59-Y110 HydrophobicContact CB-CE2 4.37Å; L65-Y110 HydrophobicContact CD1-CD2 3.61Å; L65-Y110 HydrophobicContact CD1-CE2 3.98Å; V108-Y110 HydrophobicContact CB-CE2 4Å; V108-Y110 HydrophobicContact CG1-CD2 4.25Å; V108-Y110 HydrophobicContact CG1-CE1 4.05Å; V108-Y110 HydrophobicContact CG1-CE2 3.51Å; V108-Y110 WeakPolarHBondContact CG1-OH 3.37Å
111	C	98.3	Very high	97.1	Very high	8 Å²	8	59.4 Å²	59.4	5%	0.054	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	145	167.4	-166	0	0	0	0	109.4	V23 Q25 C42 F55 W56	V23-C111 WeakPolarHBondContact CG2-O 3.19Å; Q25-C111 HydrophobicContact CB-CB 4.49Å; C42-C111 HydrophobicContact CB-CB 3.57Å; C42-C111 WeakPolarHBondContact CB-SG 3.49Å; C42-C111 WeakPolarHBondContact SG-CB 3.4Å; C42-C111 CovalentContact SG-SG 2.02Å; C42-C111 PolarHBondContact SG-SG 2.97Å; F55-C111 WeakPolarHBondContact O-CA 3.41Å; W56-C111 HydrophobicContact CD2-CB 4.25Å; W56-C111 HydrophobicContact CE3-CB 4.23Å; W56-C111 HydrophobicContact CH2-CB 3.79Å; W56-C111 HydrophobicContact CZ2-CB 3.82Å; W56-C111 HydrophobicContact CZ3-CB 3.99Å
112	A	97.7	Very high	97	Very high	29 Å²	29	63.2 Å²	63.2	24%	0.24	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	162.1	175.1	0	0	0	0	0	111.4	F55 Y57	F55-A112 HydrophobicContact CB-CB 4.4Å; F55-A112 PolarHBondContact N-O 3.28Å; F55-A112 PolarHBondContact O-N 3.13Å; Y57-A112 HydrophobicContact CD2-CB 4.31Å; Y57-A112 HydrophobicContact CE2-CB 4.08Å
113	L	95.8	Very high	97	Very high	33 Å²	33	58.8 Å²	58.8	17%	0.173	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	158.3	172.9	82.1	131.3	0	0	0	112.1	D21 S22 V23 A46 P52 N53 L54	D21-L113 HydrophobicContact CB-CD1 3.84Å; D21-L113 HydrophobicContact CB-CD2 4.38Å; D21-L113 HydrophobicContact CB-CG 4.31Å; S22-L113 VanDerWaalsContact C-CD2 3.41Å; S22-L113 VanDerWaalsContact O-CD2 3.24Å; S22-L113 WeakPolarHBondContact O-CD2 3.24Å; V23-L113 HydrophobicContact CG1-CD2 3.56Å; A46-L113 HydrophobicContact CB-CD1 4.02Å; P52-L113 HydrophobicContact CB-CB 4.11Å; P52-L113 HydrophobicContact CB-CD1 3.48Å; P52-L113 VanDerWaalsContact CB-CD1 3.48Å; P52-L113 HydrophobicContact CB-CG 4.45Å; P52-L113 HydrophobicContact CG-CD1 3.91Å; N53-L113 VanDerWaalsContact O-CA 3.25Å; N53-L113 WeakPolarHBondContact O-CA 3.45Å; L54-L113 HydrophobicContact CD2-CB 3.83Å
114	S	91.1	Very high	97	Very high	94 Å²	94	50.4 Å²	50.4	66%	0.657	32%	0.315	S	S	*	.			trans	-145	0	173.4	75.5	0	0	0	0	112.4	P52 N53 F55	P52-S114 CarbonylContact C-O 3.5Å; P52-S114 WeakPolarHBondContact CA-O 3.21Å; N53-S114 WeakPolarHBondContact CB-OG 3.42Å; N53-S114 PolarHBondContact N-O 3.2Å; N53-S114 PolarHBondContact ND2-OG 3.36Å; N53-S114 PolarHBondContact O-N 2.82Å; N53-S114 VanDerWaalsContact O-N 3.08Å; F55-S114 WeakPolarHBondContact CE2-OG 3.44Å

Retrieved 114 of 114 residues in 71.3 ms (Link to these results)

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