A0A075B658_MOUSE Loading...

T cell receptor delta variable 2-1

AlphaFold DB , UniProt , Accession A0A075B658, Species MOUSE (Mus musculus, Mouse), Gene Trdv2-1, Length 115 aa.

						>A0A075B658_MOUSE|A0A075B658|Trdv2-1
MAVLSSLWAVVITTCLASMAQTVSQPQKKKSVQVAESATLDCTYDTSDTNYLLFWYKQQGGQVTLVILQEAYKQYNATLNRFSVNFQKAAKSFSLEISDSQLGDAATYFCALRGS
					

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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	43.6	Very low	58.4	Low	241 Å²	241	143.5 Å²	143.5	100%	1.187	83%	0.826	S	S	*	*				0	104.8	0	-69.3	-172	-75.4	0	0	108.6
2	A	46.5	Very low	59.5	Low	99 Å²	99	143.1 Å²	143.1	82%	0.818	82%	0.817	S	S	*	*			trans	-158.8	99.5	154.5	0	0	0	0	0	104.8
3	V	57.5	Low	60.5	Low	142 Å²	142	141.7 Å²	141.7	86%	0.861	81%	0.813	S	S	*	*			trans	-78.9	131.2	-171.2	-168.6	0	0	0	0	107.9	S5	V3-S5 PolarHBondContact O-N 2.96Å
4	L	54.1	Low	61	Low	156 Å²	156	139.6 Å²	139.6	82%	0.817	80%	0.804	S	S	*	*			trans	-60.6	124.9	172.1	-77.7	88.6	0	0	0	109.8
5	S	57.5	Low	61.6	Low	109 Å²	109	138.2 Å²	138.2	76%	0.762	80%	0.804	S	S	*	*			trans	-107.3	90.5	166.6	63.3	0	0	0	0	109.6	V3 L7	V3-S5 PolarHBondContact O-N 2.96Å; S5-L7 PolarHBondContact O-N 3.12Å
6	S	59.1	Low	61.6	Low	91 Å²	91	139.9 Å²	139.9	64%	0.636	81%	0.808	S	S	*	*			trans	-74.1	106.4	172.2	-41.3	0	0	0	0	109	W8	S6-W8 PolarHBondContact O-N 3.31Å; S6-W8 VanDerWaalsContact O-N 3.16Å
7	L	56.2	Low	61.7	Low	168 Å²	168	135.6 Å²	135.6	88%	0.88	79%	0.793	S	S	*	*			trans	-71.3	103.5	172	-77.6	155.2	0	0	0	109.1	S5 A9	S5-L7 PolarHBondContact O-N 3.12Å; L7-A9 PolarHBondContact O-N 3.26Å
8	W	62.2	Low	61.8	Low	238 Å²	238	133.9 Å²	133.9	90%	0.902	79%	0.789	S	S	*	*			trans	-69.5	109.2	167.6	-84.6	48.5	0	0	0	108.7	S6 V10	S6-W8 PolarHBondContact O-N 3.31Å; S6-W8 VanDerWaalsContact O-N 3.16Å; W8-V10 PolarHBondContact O-N 3.21Å
9	A	64.5	Low	62.3	Low	92 Å²	92	134.4 Å²	134.4	76%	0.76	79%	0.785	S	S	*	*			trans	-69.3	110.2	169.8	0	0	0	0	0	109.1	L7 V11	L7-A9 PolarHBondContact O-N 3.26Å; A9-V11 PolarHBondContact O-N 3.13Å
10	V	70.2	Confident	63.3	Low	121 Å²	121	131.2 Å²	131.2	73%	0.733	78%	0.775	S	S	*	*			trans	-78.2	105.3	168.6	-179	0	0	0	0	107.5	W8 I12	W8-V10 PolarHBondContact O-N 3.21Å; V10-I12 HydrophobicContact CG1-CG1 3.88Å; V10-I12 PolarHBondContact O-N 3.37Å
11	V	71.4	Confident	64.7	Low	121 Å²	121	128.6 Å²	128.6	73%	0.733	76%	0.755	S	S	*	*			trans	-80.6	100.9	171.5	180	0	0	0	0	107.9	A9 T13	A9-V11 PolarHBondContact O-N 3.13Å; V11-T13 PolarHBondContact O-N 3.32Å
12	I	71.4	Confident	67.2	Low	139 Å²	139	120.7 Å²	120.7	71%	0.713	72%	0.72	S	S	*	*			trans	-85.2	99.5	170.3	-57.1	176.3	0	0	0	107.1	V10 T14	V10-I12 HydrophobicContact CG1-CG1 3.88Å; V10-I12 PolarHBondContact O-N 3.37Å; I12-T14 HydrophobicContact CG2-CG2 4.48Å; I12-T14 PolarHBondContact O-N 3.16Å; I12-T14 VanDerWaalsContact O-N 3.15Å
13	T	72.8	Confident	69.6	Low	125 Å²	125	118.9 Å²	118.9	77%	0.767	70%	0.699	S	S	*	*			trans	-74.2	101	170.1	-50.4	0	0	0	0	108.4	V11 C15	V11-T13 PolarHBondContact O-N 3.32Å; T13-C15 PolarHBondContact O-N 3.08Å; T13-C15 VanDerWaalsContact O-N 3.17Å
14	T	66.7	Low	71.6	Confident	113 Å²	113	115 Å²	115	69%	0.693	68%	0.679	S	S	*	*			trans	-69.8	109.2	168.8	43.4	0	0	0	0	108.4	I12 L16	I12-T14 HydrophobicContact CG2-CG2 4.48Å; I12-T14 PolarHBondContact O-N 3.16Å; I12-T14 VanDerWaalsContact O-N 3.15Å; T14-L16 PolarHBondContact O-N 3.19Å
15	C	70	Confident	73.7	Confident	118 Å²	118	110.2 Å²	110.2	80%	0.797	65%	0.652	S	S	*	*			trans	-64.6	105	169.6	-167.8	0	0	0	0	107.3	T13 A17	T13-C15 PolarHBondContact O-N 3.08Å; T13-C15 VanDerWaalsContact O-N 3.17Å; C15-A17 PolarHBondContact O-N 3.33Å
16	L	62.9	Low	75.4	Confident	166 Å²	166	109 Å²	109	87%	0.869	64%	0.641	S	S	*	*			trans	-64.4	89.5	165.6	-78	156	0	0	0	106.6	T14 S18	T14-L16 PolarHBondContact O-N 3.19Å; L16-S18 PolarHBondContact O-N 3.02Å
17	A	62.7	Low	77	Confident	67 Å²	67	107.7 Å²	107.7	55%	0.554	63%	0.625	S	S	*	*			trans	-60	105.1	167.3	0	0	0	0	0	106.5	C15 M19	C15-A17 PolarHBondContact O-N 3.33Å; A17-M19 WeakPolarHBondContact O-CE 3.37Å; A17-M19 PolarHBondContact O-N 3.4Å
18	S	63.8	Low	78.8	Confident	104 Å²	104	109 Å²	109	73%	0.727	62%	0.624	S	S	*	*			trans	-55.3	129.7	164.5	53.6	0	0	0	0	107.2	L16 A20	L16-S18 PolarHBondContact O-N 3.02Å; S18-A20 PolarHBondContact O-N 3.19Å
19	M	70.4	Confident	80.4	Confident	144 Å²	144	106.2 Å²	106.2	71%	0.709	62%	0.618	S	S	*	*			trans	-68.7	84	178.1	-63.6	-60.8	144.1	0	0	108.9	A17	A17-M19 WeakPolarHBondContact O-CE 3.37Å; A17-M19 PolarHBondContact O-N 3.4Å
20	A	83.7	Confident	81.9	Confident	70 Å²	70	106.9 Å²	106.9	58%	0.579	60%	0.604	S	S	*	*			trans	-71.1	135.6	178.5	0	0	0	0	0	109.4	S18	S18-A20 PolarHBondContact O-N 3.19Å
21	Q	91.8	Very high	83.2	Confident	76 Å²	76	105.5 Å²	105.5	36%	0.355	60%	0.6	S	S	.	*			trans	-73.5	139.4	171.7	-67.6	-178.9	-16.4	0	0	109.7	D45 T46 D48 L112	Q21-D45 VanDerWaalsContact CA-O 3.3Å; Q21-D45 WeakPolarHBondContact CA-O 3.26Å; Q21-T46 PolarHBondContact NE2-OG1 2.7Å; Q21-D48 PolarHBondContact NE2-OD1 2.86Å; Q21-D48 PolarHBondContact NE2-OD2 3.11Å; Q21-L112 HydrophobicContact CB-CD2 3.84Å; Q21-L112 HydrophobicContact CG-CD2 4.24Å
22	T	96.2	Very high	84.4	Confident	75 Å²	75	102.2 Å²	102.2	46%	0.46	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.7	153.9	-179.6	62.7	0	0	0	0	111.7	Y44 D45	T22-Y44 CarbonylContact O-C 3.57Å; T22-Y44 VanDerWaalsContact O-CA 3.24Å; T22-Y44 WeakPolarHBondContact O-CA 3.24Å; T22-D45 PolarHBondContact N-O 2.83Å; T22-D45 PolarHBondContact O-N 3.4Å; T22-D45 WeakPolarHBondContact OG1-CB 3.37Å
23	V	97.6	Very high	85.7	Confident	61 Å²	61	102 Å²	102	37%	0.37	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.6	143.5	167.3	-68.2	0	0	0	0	108.1	T43 L112	V23-T43 CarbonylContact C-O 3.6Å; V23-T43 WeakPolarHBondContact CA-O 3.43Å; V23-L112 HydrophobicContact CG1-CB 3.58Å
24	S	97.9	Very high	86.9	Confident	62 Å²	62	100.3 Å²	100.3	43%	0.434	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132	125.9	178.8	-176.4	0	0	0	0	110	C42 T43	S24-C42 WeakPolarHBondContact O-CA 3.39Å; S24-T43 PolarHBondContact N-O 3.47Å; S24-T43 PolarHBondContact O-N 3.29Å
25	Q	98	Very high	88.4	Confident	55 Å²	55	98.1 Å²	98.1	26%	0.257	56%	0.558	S	S	.	*			trans	-114.5	95.6	173.7	-69.6	178	-110.9	0	0	107.8	Q27 C42 W55 Y108 C110	Q25-Q27 VanDerWaalsContact C-N 3.31Å; Q25-Q27 PolarHBondContact O-N 3.48Å; Q25-C42 HydrophobicContact CG-CB 4.38Å; Q25-W55 HydrophobicContact CG-CH2 4.46Å; Q25-Y108 PolarHBondContact NE2-O 3.25Å; Q25-C110 HydrophobicContact CG-CB 3.91Å
26	P	94.6	Very high	89.7	Confident	83 Å²	83	97.4 Å²	97.4	54%	0.539	54%	0.543	S	S	.	.			trans	-69.5	-31.6	-174.6	26.4	-33.4	0	0	0	112	K28 D41	P26-K28 PolarHBondContact O-N 2.8Å; P26-D41 HydrophobicContact CG-CB 4.04Å
27	Q	92.8	Very high	91.4	Very high	63 Å²	63	92.7 Å²	92.7	29%	0.294	52%	0.524	S	S	.	.			trans	-76.2	118	179.5	-64.2	175.6	-30.3	0	0	110.7	Q25 T39 L40 D41	Q25-Q27 VanDerWaalsContact C-N 3.31Å; Q25-Q27 PolarHBondContact O-N 3.48Å; Q27-T39 PolarHBondContact OE1-O 2.71Å; Q27-L40 VanDerWaalsContact OE1-CA 3.32Å; Q27-D41 HydrophobicContact CG-CB 4.22Å; Q27-D41 PolarHBondContact NE2-OD2 2.9Å
28	K	92.7	Very high	93	Very high	196 Å²	196	89.8 Å²	89.8	85%	0.852	50%	0.5	S	S	*	.	S	Bend	trans	-84.1	-28.3	174.4	-60.5	-54	-175.4	-168.6	0	113.4	P26	P26-K28 PolarHBondContact O-N 2.8Å
29	K	96.1	Very high	94.7	Very high	179 Å²	179	87.5 Å²	87.5	78%	0.778	48%	0.482	S	S	*	.			trans	-151	141.1	179.7	-173.1	175.6	178.9	-179.5	0	109.8
30	K	96.7	Very high	96	Very high	106 Å²	106	82 Å²	82	46%	0.461	46%	0.455	S	S	.	.			trans	-127.8	138.6	169.4	-176.3	68.1	175.2	-176.1	0	108.4	L40	K30-L40 HydrophobicContact CB-CD2 3.84Å; K30-L40 HydrophobicContact CG-CD2 4.18Å
31	S	97	Very high	96.7	Very high	93 Å²	93	81.3 Å²	81.3	65%	0.65	44%	0.442	S	S	*	.			trans	-126.6	140.9	170.4	-63	0	0	0	0	108
32	V	97.1	Very high	97	Very high	52 Å²	52	77.7 Å²	77.7	32%	0.315	43%	0.425	S	S	.	.			trans	-147.6	149.2	-172.8	65.2	0	0	0	0	107.8	E36 A38	V32-E36 HydrophobicContact CG2-CB 3.64Å; V32-A38 HydrophobicContact CB-CB 4.2Å; V32-A38 HydrophobicContact CG1-CB 4.04Å; V32-A38 HydrophobicContact CG2-CB 4.19Å
33	Q	98	Very high	97.1	Very high	134 Å²	134	77.1 Å²	77.1	63%	0.626	42%	0.421	S	S	*	.			trans	-78.3	158.3	171.9	-59.2	-60.6	-40.7	0	0	110.5	E36	Q33-E36 HydrophobicContact CB-CG 4.04Å; Q33-E36 PolarHBondContact N-OE2 2.88Å; Q33-E36 PolarHBondContact O-N 3.13Å
34	V	97.7	Very high	97.1	Very high	90 Å²	90	74.7 Å²	74.7	55%	0.545	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	145.2	171.2	174	0	0	0	0	109.2	E36 S100 L102	V34-E36 PolarHBondContact O-N 2.87Å; V34-S100 CarbonylContact C-O 3.57Å; V34-S100 WeakPolarHBondContact CA-O 3.44Å; V34-S100 WeakPolarHBondContact CG1-O 3.36Å; V34-L102 HydrophobicContact CG2-CD2 3.94Å; V34-L102 HydrophobicContact CG2-CG 4.2Å
35	A	97.7	Very high	97	Very high	66 Å²	66	75 Å²	75	55%	0.545	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	-5.2	-175.2	0	0	0	0	0	116.2	S100	A35-S100 PolarHBondContact N-O 3.4Å
36	E	98.3	Very high	96.9	Very high	103 Å²	103	73.2 Å²	73.2	48%	0.481	40%	0.395	S	S	.	.	S	Bend	trans	-84.9	164.8	170.8	-69.2	-177.6	173.5	0	0	111.9	V32 Q33 V34 S100	V32-E36 HydrophobicContact CG2-CB 3.64Å; Q33-E36 HydrophobicContact CB-CG 4.04Å; Q33-E36 PolarHBondContact N-OE2 2.88Å; Q33-E36 PolarHBondContact O-N 3.13Å; V34-E36 PolarHBondContact O-N 2.87Å; E36-S100 WeakPolarHBondContact O-CB 3.47Å; E36-S100 PolarHBondContact O-N 3.2Å; E36-S100 PolarHBondContact O-OG 3.21Å
37	S	98	Very high	96.8	Very high	68 Å²	68	73 Å²	73	48%	0.476	40%	0.396	S	S	.	.			trans	-86.9	136.3	173.6	-63.8	0	0	0	0	112	I97	S37-I97 CarbonylContact C-O 3.55Å; S37-I97 VanDerWaalsContact CA-O 3.26Å; S37-I97 WeakPolarHBondContact CA-O 3.45Å
38	A	97.8	Very high	96.9	Very high	6 Å²	6	72 Å²	72	5%	0.05	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.6	170	0	0	0	0	0	111.1	V32 E96 I97	V32-A38 HydrophobicContact CB-CB 4.2Å; V32-A38 HydrophobicContact CG1-CB 4.04Å; V32-A38 HydrophobicContact CG2-CB 4.19Å; A38-E96 CarbonylContact O-C 3.6Å; A38-E96 WeakPolarHBondContact O-CA 3.18Å; A38-I97 HydrophobicContact CB-CB 4.42Å; A38-I97 PolarHBondContact N-O 3.47Å; A38-I97 PolarHBondContact O-N 2.76Å
39	T	98.1	Very high	96.8	Very high	56 Å²	56	68.7 Å²	68.7	34%	0.344	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.9	171.2	-50.4	0	0	0	0	109.3	Q27 L95	Q27-T39 PolarHBondContact OE1-O 2.71Å; T39-L95 CarbonylContact C-O 3.48Å; T39-L95 VanDerWaalsContact CA-O 3.3Å; T39-L95 WeakPolarHBondContact CA-O 3.24Å
40	L	98.5	Very high	96.7	Very high	27 Å²	27	63.9 Å²	63.9	14%	0.141	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.2	174.2	-56.4	-177.4	0	0	0	109.5	Q27 K30 W55 S94 L95 Y108	Q27-L40 VanDerWaalsContact OE1-CA 3.32Å; K30-L40 HydrophobicContact CB-CD2 3.84Å; K30-L40 HydrophobicContact CG-CD2 4.18Å; L40-W55 HydrophobicContact CB-CH2 3.72Å; L40-W55 HydrophobicContact CB-CZ2 4.24Å; L40-W55 HydrophobicContact CB-CZ3 4.14Å; L40-W55 HydrophobicContact CD1-CZ3 4.36Å; L40-W55 WeakPolarHBondContact O-CZ2 3.45Å; L40-S94 CarbonylContact O-C 3.55Å; L40-S94 WeakPolarHBondContact O-CA 3.33Å; L40-S94 VanDerWaalsContact O-CB 3.28Å; L40-S94 WeakPolarHBondContact O-CB 3.32Å; L40-L95 HydrophobicContact CB-CB 4.34Å; L40-L95 HydrophobicContact CD1-CD2 4.25Å; L40-L95 PolarHBondContact N-O 2.88Å; L40-L95 PolarHBondContact O-N 2.77Å; L40-Y108 HydrophobicContact CD1-CD1 4Å; L40-Y108 HydrophobicContact CD1-CD2 3.72Å; L40-Y108 HydrophobicContact CD1-CE2 4.42Å; L40-Y108 HydrophobicContact CD1-CG 3.48Å; L40-Y108 VanDerWaalsContact CD1-CG 3.48Å
41	D	98.2	Very high	96.7	Very high	56 Å²	56	59.3 Å²	59.3	30%	0.299	35%	0.352	S	S	.	.			trans	-85.4	135.5	-172.8	-62.8	-38.6	0	0	0	112.3	P26 Q27 S94	P26-D41 HydrophobicContact CG-CB 4.04Å; Q27-D41 HydrophobicContact CG-CB 4.22Å; Q27-D41 PolarHBondContact NE2-OD2 2.9Å; D41-S94 PolarHBondContact OD1-OG 2.83Å
42	C	98.5	Very high	96.8	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	33%	0.327	C	S	.	.			trans	-142.4	136.7	167.9	179.1	0	0	0	0	110.5	S24 Q25 W55 F93 C110	S24-C42 WeakPolarHBondContact O-CA 3.39Å; Q25-C42 HydrophobicContact CG-CB 4.38Å; C42-W55 HydrophobicContact CB-CH2 3.99Å; C42-W55 HydrophobicContact CB-CZ2 3.45Å; C42-W55 VanDerWaalsContact CB-CZ2 3.45Å; C42-F93 WeakPolarHBondContact CB-O 3.26Å; C42-F93 CarbonylContact O-C 3.48Å; C42-F93 PolarHBondContact O-N 2.96Å; C42-C110 HydrophobicContact CB-CB 3.53Å; C42-C110 WeakPolarHBondContact CB-SG 3.03Å; C42-C110 WeakPolarHBondContact SG-CB 3.32Å; C42-C110 CovalentContact SG-SG 2.03Å; C42-C110 PolarHBondContact SG-SG 3.05Å
43	T	98.2	Very high	96.8	Very high	64 Å²	64	53.6 Å²	53.6	39%	0.393	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	156.7	164.4	63.3	0	0	0	0	109.4	V23 S24 K91	V23-T43 CarbonylContact C-O 3.6Å; V23-T43 WeakPolarHBondContact CA-O 3.43Å; S24-T43 PolarHBondContact N-O 3.47Å; S24-T43 PolarHBondContact O-N 3.29Å; T43-K91 CarbonylContact C-O 3.55Å; T43-K91 VanDerWaalsContact CA-O 3.26Å; T43-K91 WeakPolarHBondContact CA-O 3.45Å; T43-K91 WeakPolarHBondContact CB-O 3.31Å
44	Y	97.4	Very high	96.9	Very high	9 Å²	9	48.2 Å²	48.2	4%	0.035	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	161.8	179.2	66.1	-86.7	0	0	0	111.2	T22 T46 Y51 L53 F86 K91 F93	T22-Y44 CarbonylContact O-C 3.57Å; T22-Y44 VanDerWaalsContact O-CA 3.24Å; T22-Y44 WeakPolarHBondContact O-CA 3.24Å; Y44-T46 HydrophobicContact CD2-CG2 4.1Å; Y44-T46 HydrophobicContact CE2-CG2 4.07Å; Y44-Y51 HydrophobicContact CD2-CE2 4.33Å; Y44-Y51 HydrophobicContact CE2-CD2 4.45Å; Y44-Y51 AromaticContact CE2-CE2 3.56Å; Y44-Y51 HydrophobicContact CE2-CE2 3.56Å; Y44-Y51 AromaticContact CE2-CZ 3.72Å; Y44-Y51 AromaticContact CZ-CE2 3.81Å; Y44-Y51 PolarHBondContact OH-OH 2.83Å; Y44-L53 HydrophobicContact CD1-CD1 3.8Å; Y44-L53 HydrophobicContact CD1-CD2 3.86Å; Y44-L53 HydrophobicContact CD1-CG 4.48Å; Y44-L53 HydrophobicContact CD2-CD2 4.47Å; Y44-L53 HydrophobicContact CE1-CD1 3.55Å; Y44-L53 HydrophobicContact CE1-CD2 4.46Å; Y44-L53 HydrophobicContact CG-CD1 4.38Å; Y44-L53 HydrophobicContact CG-CD2 3.88Å; Y44-F86 HydrophobicContact CE1-CD2 4.48Å; Y44-F86 HydrophobicContact CE1-CE2 4.01Å; Y44-F86 AromaticContact CZ-CE2 3.99Å; Y44-F86 WeakPolarHBondContact OH-CE2 3.41Å; Y44-K91 HydrophobicContact CD1-CB 4.43Å; Y44-K91 WeakPolarHBondContact CD1-O 3.36Å; Y44-K91 HydrophobicContact CD2-CB 4.44Å; Y44-K91 VanDerWaalsContact CE1-C 3.42Å; Y44-K91 HydrophobicContact CE1-CB 4.21Å; Y44-K91 HydrophobicContact CE2-CB 4.22Å; Y44-K91 HydrophobicContact CE2-CG 4.49Å; Y44-K91 PolarHBondContact N-O 2.84Å; Y44-K91 WeakPolarHBondContact O-CB 3.39Å; Y44-K91 VanDerWaalsContact O-CD 3.32Å; Y44-K91 WeakPolarHBondContact O-CD 3.26Å; Y44-F93 HydrophobicContact CD1-CB 4.13Å; Y44-F93 HydrophobicContact CE1-CB 4.31Å
45	D	96.3	Very high	96.9	Very high	69 Å²	69	43.9 Å²	43.9	37%	0.369	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.9	166.8	-152.2	-45.4	0	0	0	109.8	Q21 T22 K91 L112	Q21-D45 VanDerWaalsContact CA-O 3.3Å; Q21-D45 WeakPolarHBondContact CA-O 3.26Å; T22-D45 PolarHBondContact N-O 2.83Å; T22-D45 PolarHBondContact O-N 3.4Å; T22-D45 WeakPolarHBondContact OG1-CB 3.37Å; D45-K91 IonicContact OD1-NZ 3.29Å; D45-K91 PolarHBondContact OD1-NZ 2.95Å; D45-K91 IonicContact OD2-NZ 2.7Å; D45-K91 PolarHBondContact OD2-NZ 2.88Å; D45-L112 WeakPolarHBondContact O-CD2 3.39Å
46	T	95.1	Very high	96.9	Very high	17 Å²	17	44.4 Å²	44.4	10%	0.104	25%	0.249	C	C	.	.			trans	-154.4	145.7	176.5	-172.2	0	0	0	0	110.4	Q21 Y44 D48 Y51 L112	Q21-T46 PolarHBondContact NE2-OG1 2.7Å; Y44-T46 HydrophobicContact CD2-CG2 4.1Å; Y44-T46 HydrophobicContact CE2-CG2 4.07Å; T46-D48 PolarHBondContact OG1-N 2.96Å; T46-D48 VanDerWaalsContact OG1-N 3.08Å; T46-Y51 HydrophobicContact CG2-CD1 3.73Å; T46-Y51 HydrophobicContact CG2-CD2 4.31Å; T46-Y51 HydrophobicContact CG2-CE1 3.85Å; T46-Y51 HydrophobicContact CG2-CE2 4.42Å; T46-Y51 HydrophobicContact CG2-CG 3.99Å; T46-L112 HydrophobicContact CG2-CD1 4.46Å; T46-L112 HydrophobicContact CG2-CD2 4.42Å
47	S	92.9	Very high	96.9	Very high	80 Å²	80	40.8 Å²	40.8	56%	0.559	23%	0.231	S	C	*	.			trans	-86.5	-12.1	167.5	49.4	0	0	0	0	113
48	D	93.8	Very high	96.9	Very high	40 Å²	40	40.9 Å²	40.9	21%	0.214	23%	0.225	C	C	.	.			trans	-74.9	140.2	-170.8	-63.1	11	0	0	0	110.3	Q21 T46 Y51 G114 S115	Q21-D48 PolarHBondContact NE2-OD1 2.86Å; Q21-D48 PolarHBondContact NE2-OD2 3.11Å; T46-D48 PolarHBondContact OG1-N 2.96Å; T46-D48 VanDerWaalsContact OG1-N 3.08Å; D48-Y51 WeakPolarHBondContact O-CD1 3.46Å; D48-Y51 WeakPolarHBondContact O-CE1 3.48Å; D48-G114 VanDerWaalsContact OD2-C 3.31Å; D48-G114 WeakPolarHBondContact OD2-CA 3.36Å; D48-S115 PolarHBondContact OD2-N 3.32Å
49	T	91.6	Very high	96.9	Very high	128 Å²	128	44.9 Å²	44.9	79%	0.785	24%	0.242	S	C	*	.	S	Bend	trans	-80.6	-29.5	178.2	54	0	0	0	0	111.8
50	N	94.3	Very high	96.8	Very high	77 Å²	77	46.5 Å²	46.5	41%	0.412	27%	0.27	S	S	.	.	S	Bend	trans	-116.8	120.1	175.6	-172.5	18.2	0	0	0	109.6	S115	N50-S115 PolarHBondContact O-N 3.02Å; N50-S115 PolarHBondContact O-OG 2.82Å; N50-S115 VanDerWaalsContact O-OG 3.05Å
51	Y	97	Very high	96.6	Very high	10 Å²	10	48.2 Å²	48.2	4%	0.039	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	162.1	-179.3	57.5	-88	0	0	0	110.4	Y44 T46 D48 L53 A71 F86 K88 L112 R113	Y44-Y51 HydrophobicContact CD2-CE2 4.33Å; Y44-Y51 HydrophobicContact CE2-CD2 4.45Å; Y44-Y51 AromaticContact CE2-CE2 3.56Å; Y44-Y51 HydrophobicContact CE2-CE2 3.56Å; Y44-Y51 AromaticContact CE2-CZ 3.72Å; Y44-Y51 AromaticContact CZ-CE2 3.81Å; Y44-Y51 PolarHBondContact OH-OH 2.83Å; T46-Y51 HydrophobicContact CG2-CD1 3.73Å; T46-Y51 HydrophobicContact CG2-CD2 4.31Å; T46-Y51 HydrophobicContact CG2-CE1 3.85Å; T46-Y51 HydrophobicContact CG2-CE2 4.42Å; T46-Y51 HydrophobicContact CG2-CG 3.99Å; D48-Y51 WeakPolarHBondContact O-CD1 3.46Å; D48-Y51 WeakPolarHBondContact O-CE1 3.48Å; Y51-L53 HydrophobicContact CD2-CD1 4.32Å; Y51-L53 HydrophobicContact CD2-CG 4.21Å; Y51-L53 HydrophobicContact CE2-CD1 3.88Å; Y51-L53 HydrophobicContact CE2-CG 4.26Å; Y51-A71 HydrophobicContact CD1-CB 3.67Å; Y51-A71 HydrophobicContact CD2-CB 3.65Å; Y51-A71 HydrophobicContact CE1-CB 3.48Å; Y51-A71 VanDerWaalsContact CE1-CB 3.48Å; Y51-A71 HydrophobicContact CE2-CB 3.45Å; Y51-A71 VanDerWaalsContact CE2-CB 3.45Å; Y51-A71 HydrophobicContact CG-CB 3.74Å; Y51-A71 WeakPolarHBondContact O-CB 3.05Å; Y51-A71 PolarHBondContact O-N 3Å; Y51-F86 HydrophobicContact CE2-CZ 4.48Å; Y51-K88 WeakPolarHBondContact OH-CE 3.42Å; Y51-K88 WeakPolarHBondContact OH-CG 3.46Å; Y51-L112 HydrophobicContact CD2-CD1 3.6Å; Y51-L112 HydrophobicContact CE2-CD1 4.48Å; Y51-L112 HydrophobicContact CG-CD1 4.03Å; Y51-R113 CarbonylContact C-O 3.55Å; Y51-R113 VanDerWaalsContact CA-O 3.32Å; Y51-R113 WeakPolarHBondContact CA-O 3.48Å; Y51-R113 WeakPolarHBondContact CB-O 3.09Å
52	L	98	Very high	96.5	Very high	26 Å²	26	52.1 Å²	52.1	14%	0.136	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140.6	178.2	-58.7	178.9	0	0	0	109.6	F54 E70 L112 R113	L52-F54 HydrophobicContact CB-CD2 4.5Å; L52-F54 HydrophobicContact CB-CE1 4.32Å; L52-F54 HydrophobicContact CB-CE2 3.5Å; L52-F54 VanDerWaalsContact CB-CE2 3.5Å; L52-F54 HydrophobicContact CB-CZ 3.39Å; L52-F54 HydrophobicContact CD1-CZ 3.83Å; L52-F54 HydrophobicContact CG-CZ 4.27Å; L52-E70 HydrophobicContact CD2-CB 4.03Å; L52-E70 HydrophobicContact CD2-CG 3.69Å; L52-L112 WeakPolarHBondContact O-CA 3.24Å; L52-R113 PolarHBondContact N-O 2.92Å; L52-R113 PolarHBondContact O-N 3.41Å
53	L	98.4	Very high	96.5	Very high	0 Å²	0	56 Å²	56	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.3	174.9	-74.6	160.3	0	0	0	109.5	Y44 Y51 L68 Q69 F86 F93 A111 L112	Y44-L53 HydrophobicContact CD1-CD1 3.8Å; Y44-L53 HydrophobicContact CD1-CD2 3.86Å; Y44-L53 HydrophobicContact CD1-CG 4.48Å; Y44-L53 HydrophobicContact CD2-CD2 4.47Å; Y44-L53 HydrophobicContact CE1-CD1 3.55Å; Y44-L53 HydrophobicContact CE1-CD2 4.46Å; Y44-L53 HydrophobicContact CG-CD1 4.38Å; Y44-L53 HydrophobicContact CG-CD2 3.88Å; Y51-L53 HydrophobicContact CD2-CD1 4.32Å; Y51-L53 HydrophobicContact CD2-CG 4.21Å; Y51-L53 HydrophobicContact CE2-CD1 3.88Å; Y51-L53 HydrophobicContact CE2-CG 4.26Å; L53-L68 WeakPolarHBondContact O-CA 3.36Å; L53-Q69 HydrophobicContact CB-CB 4.32Å; L53-Q69 PolarHBondContact N-O 2.93Å; L53-Q69 PolarHBondContact O-N 3.48Å; L53-F86 HydrophobicContact CD1-CD2 3.89Å; L53-F86 HydrophobicContact CD1-CE2 3.54Å; L53-F86 HydrophobicContact CD1-CZ 4.46Å; L53-F93 HydrophobicContact CB-CD1 3.68Å; L53-F93 HydrophobicContact CB-CD2 4.18Å; L53-F93 HydrophobicContact CB-CE1 3.55Å; L53-F93 HydrophobicContact CB-CE2 4.05Å; L53-F93 HydrophobicContact CB-CG 4Å; L53-F93 HydrophobicContact CB-CZ 3.74Å; L53-F93 HydrophobicContact CD1-CB 4.03Å; L53-F93 HydrophobicContact CD1-CD1 4.27Å; L53-F93 HydrophobicContact CD1-CD2 4.08Å; L53-F93 HydrophobicContact CD1-CG 3.85Å; L53-F93 HydrophobicContact CD2-CD1 4.06Å; L53-F93 HydrophobicContact CD2-CG 4.38Å; L53-F93 HydrophobicContact CG-CD1 4.23Å; L53-F93 HydrophobicContact CG-CG 4.31Å; L53-A111 WeakPolarHBondContact CA-O 3.03Å; L53-L112 HydrophobicContact CD2-CB 4.06Å; L53-L112 HydrophobicContact CD2-CD1 3.87Å; L53-L112 HydrophobicContact CG-CD1 4.26Å
54	F	98.4	Very high	96.5	Very high	20 Å²	20	55.7 Å²	55.7	9%	0.088	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	143.4	-172.5	-48.2	-99.8	0	0	0	110.5	L52 Y56 L65 I67 L68 C110 A111 R113	L52-F54 HydrophobicContact CB-CD2 4.5Å; L52-F54 HydrophobicContact CB-CE1 4.32Å; L52-F54 HydrophobicContact CB-CE2 3.5Å; L52-F54 VanDerWaalsContact CB-CE2 3.5Å; L52-F54 HydrophobicContact CB-CZ 3.39Å; L52-F54 HydrophobicContact CD1-CZ 3.83Å; L52-F54 HydrophobicContact CG-CZ 4.27Å; F54-Y56 HydrophobicContact CB-CD2 4.05Å; F54-Y56 HydrophobicContact CB-CE2 3.64Å; F54-Y56 HydrophobicContact CG-CE2 4.14Å; F54-L65 HydrophobicContact CB-CD1 4.04Å; F54-L65 HydrophobicContact CD1-CD1 3.85Å; F54-L65 HydrophobicContact CG-CD1 4.44Å; F54-I67 WeakPolarHBondContact CA-O 3.36Å; F54-L68 HydrophobicContact CD1-CB 4.36Å; F54-L68 HydrophobicContact CD1-CD1 3.98Å; F54-L68 HydrophobicContact CD1-CG 4.21Å; F54-L68 HydrophobicContact CE1-CD1 3.48Å; F54-L68 VanDerWaalsContact CE1-CD1 3.48Å; F54-L68 HydrophobicContact CE1-CG 4.07Å; F54-L68 HydrophobicContact CZ-CD1 4.35Å; F54-C110 WeakPolarHBondContact O-CA 3.46Å; F54-A111 HydrophobicContact CB-CB 4.35Å; F54-A111 HydrophobicContact CD2-CB 4.38Å; F54-A111 PolarHBondContact N-O 2.52Å; F54-A111 PolarHBondContact O-N 2.64Å; F54-R113 HydrophobicContact CE2-CB 3.78Å; F54-R113 HydrophobicContact CZ-CB 4.37Å
55	W	98.6	Very high	96.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.9	158.5	-80.8	98.3	0	0	0	109.5	Q25 L40 C42 V66 I67 F93 L95 F109 C110	Q25-W55 HydrophobicContact CG-CH2 4.46Å; L40-W55 HydrophobicContact CB-CH2 3.72Å; L40-W55 HydrophobicContact CB-CZ2 4.24Å; L40-W55 HydrophobicContact CB-CZ3 4.14Å; L40-W55 HydrophobicContact CD1-CZ3 4.36Å; L40-W55 WeakPolarHBondContact O-CZ2 3.45Å; C42-W55 HydrophobicContact CB-CH2 3.99Å; C42-W55 HydrophobicContact CB-CZ2 3.45Å; C42-W55 VanDerWaalsContact CB-CZ2 3.45Å; W55-V66 HydrophobicContact CB-CB 4.33Å; W55-V66 WeakPolarHBondContact O-CB 3.34Å; W55-V66 PolarHBondContact O-N 2.9Å; W55-I67 HydrophobicContact CB-CG2 3.98Å; W55-I67 HydrophobicContact CG-CG2 4.47Å; W55-I67 PolarHBondContact N-O 2.82Å; W55-I67 PolarHBondContact O-N 2.86Å; W55-F93 AromaticContact CD1-CD1 3.89Å; W55-F93 AromaticContact CD1-CE1 3.18Å; W55-F93 AromaticContact CD1-CZ 3.53Å; W55-F93 HydrophobicContact CG-CE1 4.16Å; W55-F93 AromaticContact NE1-CD1 3.53Å; W55-F93 AromaticContact NE1-CE1 3.35Å; W55-F93 AromaticContact NE1-CZ 3.95Å; W55-F93 PolarHBondContact NE1-O 2.85Å; W55-L95 HydrophobicContact CB-CD1 4.31Å; W55-L95 HydrophobicContact CB-CD2 4.25Å; W55-L95 HydrophobicContact CD2-CB 3.7Å; W55-L95 HydrophobicContact CD2-CD2 4.21Å; W55-L95 HydrophobicContact CD2-CG 4.48Å; W55-L95 HydrophobicContact CE3-CB 4.39Å; W55-L95 HydrophobicContact CE3-CD2 4.4Å; W55-L95 HydrophobicContact CG-CB 3.81Å; W55-L95 HydrophobicContact CG-CD1 4.2Å; W55-L95 HydrophobicContact CG-CD2 4.16Å; W55-L95 HydrophobicContact CG-CG 4.29Å; W55-L95 HydrophobicContact CZ2-CB 4.02Å; W55-F109 CarbonylContact C-O 3.58Å; W55-F109 WeakPolarHBondContact CA-O 3.17Å; W55-C110 HydrophobicContact CD2-CB 4.32Å; W55-C110 HydrophobicContact CE3-CB 4.25Å; W55-C110 HydrophobicContact CH2-CB 4Å; W55-C110 HydrophobicContact CZ2-CB 4.05Å; W55-C110 HydrophobicContact CZ3-CB 4.09Å
56	Y	98.4	Very high	96.6	Very high	76 Å²	76	56.6 Å²	56.6	30%	0.298	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	147.6	172.1	-74	-86.1	0	0	0	110.3	F54 V63 T64 L65 Y108 F109 A111	F54-Y56 HydrophobicContact CB-CD2 4.05Å; F54-Y56 HydrophobicContact CB-CE2 3.64Å; F54-Y56 HydrophobicContact CG-CE2 4.14Å; Y56-V63 HydrophobicContact CD1-CG1 3.65Å; Y56-V63 HydrophobicContact CE1-CG1 4.49Å; Y56-V63 HydrophobicContact CG-CG1 4.09Å; Y56-T64 CarbonylContact C-O 3.53Å; Y56-T64 VanDerWaalsContact CA-O 3.28Å; Y56-T64 WeakPolarHBondContact CA-O 3.28Å; Y56-T64 WeakPolarHBondContact CD1-O 3.15Å; Y56-L65 HydrophobicContact CD1-CB 4.32Å; Y56-L65 HydrophobicContact CE1-CB 3.98Å; Y56-L65 HydrophobicContact CE1-CD1 4.17Å; Y56-L65 HydrophobicContact CE2-CD1 4.4Å; Y56-Y108 CarbonylContact O-C 3.59Å; Y56-Y108 VanDerWaalsContact O-CA 3.24Å; Y56-Y108 WeakPolarHBondContact O-CA 3.44Å; Y56-F109 PolarHBondContact N-O 3.42Å; Y56-F109 PolarHBondContact O-N 3.05Å; Y56-A111 HydrophobicContact CD2-CB 4.48Å; Y56-A111 HydrophobicContact CE2-CB 4.41Å
57	K	98.1	Very high	96.8	Very high	27 Å²	27	56.2 Å²	56.2	12%	0.117	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.6	170.9	178.6	-177.4	-179.1	-176.1	0	108.7	V63 T64 V66 G103 A106 Y108	K57-V63 CarbonylContact O-C 3.6Å; K57-V63 WeakPolarHBondContact O-CA 3.3Å; K57-T64 PolarHBondContact N-O 3.48Å; K57-T64 PolarHBondContact O-N 3.19Å; K57-V66 HydrophobicContact CB-CG2 3.47Å; K57-V66 VanDerWaalsContact CB-CG2 3.47Å; K57-G103 PolarHBondContact NZ-O 3.17Å; K57-A106 HydrophobicContact CD-CB 4.17Å; K57-A106 VanDerWaalsContact CE-CB 3.48Å; K57-A106 HydrophobicContact CG-CB 3.63Å; K57-Y108 HydrophobicContact CB-CD1 4.14Å; K57-Y108 HydrophobicContact CB-CE1 3.88Å; K57-Y108 HydrophobicContact CD-CE1 4.24Å; K57-Y108 HydrophobicContact CG-CE1 4.01Å; K57-Y108 HydrophobicContact CG-CE2 4.37Å
58	Q	98	Very high	97	Very high	71 Å²	71	55.3 Å²	55.3	33%	0.332	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.8	172	-173.9	-176.1	16.2	0	0	110.6	Q62 V63 A106 T107 F109	Q58-Q62 VanDerWaalsContact CA-O 3.26Å; Q58-Q62 WeakPolarHBondContact CA-O 3.28Å; Q58-V63 HydrophobicContact CB-CG2 4.16Å; Q58-V63 HydrophobicContact CG-CG2 3.95Å; Q58-A106 WeakPolarHBondContact O-CB 3.42Å; Q58-T107 PolarHBondContact N-O 3.11Å; Q58-T107 PolarHBondContact O-N 2.91Å; Q58-T107 VanDerWaalsContact O-N 3.13Å; Q58-F109 HydrophobicContact CB-CD2 4.34Å; Q58-F109 HydrophobicContact CB-CE2 3.67Å; Q58-F109 HydrophobicContact CG-CE2 4.5Å
59	Q	96.8	Very high	97.2	Very high	90 Å²	90	53.4 Å²	53.4	42%	0.421	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	129.3	178.9	-169.7	172.6	27.3	0	0	109.2	G61 Q62 G103 A105 A106	Q59-G61 PolarHBondContact O-N 2.99Å; Q59-Q62 PolarHBondContact N-O 2.81Å; Q59-Q62 PolarHBondContact O-N 2.9Å; Q59-Q62 VanDerWaalsContact O-N 3.08Å; Q59-G103 PolarHBondContact NE2-O 2.94Å; Q59-G103 VanDerWaalsContact NE2-O 3.16Å; Q59-G103 PolarHBondContact OE1-O 2.03Å; Q59-A105 PolarHBondContact NE2-O 2.94Å; Q59-A106 HydrophobicContact CB-CB 4.15Å
60	G	95.4	Very high	97.5	Very high	89 Å²	89	49.2 Å²	49.2	92%	0.918	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	30	179.5	0	0	0	0	0	114.7	Q62	G60-Q62 PolarHBondContact O-N 2.78Å
61	G	94.6	Very high	97.6	Very high	64 Å²	64	45.7 Å²	45.7	66%	0.66	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-11.8	-177.3	0	0	0	0	0	115	Q59	Q59-G61 PolarHBondContact O-N 2.99Å
62	Q	97.3	Very high	97.5	Very high	137 Å²	137	51.7 Å²	51.7	64%	0.64	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	137.5	174.4	-169.4	176.7	23.9	0	0	110.6	Q58 Q59 G60 T64	Q58-Q62 VanDerWaalsContact CA-O 3.26Å; Q58-Q62 WeakPolarHBondContact CA-O 3.28Å; Q59-Q62 PolarHBondContact N-O 2.81Å; Q59-Q62 PolarHBondContact O-N 2.9Å; Q59-Q62 VanDerWaalsContact O-N 3.08Å; G60-Q62 PolarHBondContact O-N 2.78Å; Q62-T64 HydrophobicContact CG-CG2 4.1Å
63	V	97.6	Very high	97.4	Very high	81 Å²	81	53.4 Å²	53.4	49%	0.491	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.2	173.7	179.8	0	0	0	0	108.9	Y56 K57 Q58	Y56-V63 HydrophobicContact CD1-CG1 3.65Å; Y56-V63 HydrophobicContact CE1-CG1 4.49Å; Y56-V63 HydrophobicContact CG-CG1 4.09Å; K57-V63 CarbonylContact O-C 3.6Å; K57-V63 WeakPolarHBondContact O-CA 3.3Å; Q58-V63 HydrophobicContact CB-CG2 4.16Å; Q58-V63 HydrophobicContact CG-CG2 3.95Å
64	T	97.8	Very high	97.1	Very high	58 Å²	58	62.2 Å²	62.2	36%	0.356	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.5	179.7	56.4	0	0	0	0	111.1	Y56 K57 Q62 V66	Y56-T64 CarbonylContact C-O 3.53Å; Y56-T64 VanDerWaalsContact CA-O 3.28Å; Y56-T64 WeakPolarHBondContact CA-O 3.28Å; Y56-T64 WeakPolarHBondContact CD1-O 3.15Å; K57-T64 PolarHBondContact N-O 3.48Å; K57-T64 PolarHBondContact O-N 3.19Å; Q62-T64 HydrophobicContact CG-CG2 4.1Å; T64-V66 PolarHBondContact O-N 2.88Å
65	L	98.3	Very high	97	Very high	85 Å²	85	68.2 Å²	68.2	45%	0.445	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	124.7	172.7	178.5	65.4	0	0	0	109	F54 Y56 L68	F54-L65 HydrophobicContact CB-CD1 4.04Å; F54-L65 HydrophobicContact CD1-CD1 3.85Å; F54-L65 HydrophobicContact CG-CD1 4.44Å; Y56-L65 HydrophobicContact CD1-CB 4.32Å; Y56-L65 HydrophobicContact CE1-CB 3.98Å; Y56-L65 HydrophobicContact CE1-CD1 4.17Å; Y56-L65 HydrophobicContact CE2-CD1 4.4Å; L65-L68 HydrophobicContact CD2-CB 4.47Å
66	V	98	Very high	97	Very high	13 Å²	13	71.3 Å²	71.3	8%	0.079	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-53.2	175.6	178.6	0	0	0	0	109.8	W55 K57 T64 L79 F82 L95 Y108	W55-V66 HydrophobicContact CB-CB 4.33Å; W55-V66 WeakPolarHBondContact O-CB 3.34Å; W55-V66 PolarHBondContact O-N 2.9Å; K57-V66 HydrophobicContact CB-CG2 3.47Å; K57-V66 VanDerWaalsContact CB-CG2 3.47Å; T64-V66 PolarHBondContact O-N 2.88Å; V66-L79 WeakPolarHBondContact O-CD2 3.5Å; V66-F82 HydrophobicContact CG1-CB 3.89Å; V66-F82 HydrophobicContact CG1-CD1 3.38Å; V66-F82 HydrophobicContact CG1-CD2 4.12Å; V66-F82 HydrophobicContact CG1-CE1 3.91Å; V66-F82 HydrophobicContact CG1-CG 3.51Å; V66-F82 HydrophobicContact CG1-CZ 4.48Å; V66-L95 HydrophobicContact CG1-CD1 4.19Å; V66-L95 HydrophobicContact CG1-CD2 4.38Å; V66-Y108 HydrophobicContact CG2-CD1 4.36Å; V66-Y108 HydrophobicContact CG2-CE1 4.06Å
67	I	98.4	Very high	97	Very high	9 Å²	9	68.5 Å²	68.5	5%	0.046	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	148.8	-176.2	-163.6	156.3	0	0	0	111.4	F54 W55 A77 L79 V84 L95	F54-I67 WeakPolarHBondContact CA-O 3.36Å; W55-I67 HydrophobicContact CB-CG2 3.98Å; W55-I67 HydrophobicContact CG-CG2 4.47Å; W55-I67 PolarHBondContact N-O 2.82Å; W55-I67 PolarHBondContact O-N 2.86Å; I67-A77 VanDerWaalsContact CD1-C 3.47Å; I67-A77 HydrophobicContact CD1-CB 3.76Å; I67-A77 VanDerWaalsContact CD1-O 3.31Å; I67-A77 WeakPolarHBondContact CD1-O 3.49Å; I67-A77 HydrophobicContact CG1-CB 3.69Å; I67-L79 HydrophobicContact CD1-CB 4.38Å; I67-V84 HydrophobicContact CD1-CG1 4.2Å; I67-V84 HydrophobicContact CG1-CG1 4.38Å; I67-V84 HydrophobicContact CG2-CG1 3.55Å; I67-L95 HydrophobicContact CG2-CD1 3.66Å
68	L	98.2	Very high	97	Very high	60 Å²	60	71.8 Å²	71.8	31%	0.314	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.9	179.5	174.7	155.1	0	0	0	109.1	L53 F54 L65 E70 A77	L53-L68 WeakPolarHBondContact O-CA 3.36Å; F54-L68 HydrophobicContact CD1-CB 4.36Å; F54-L68 HydrophobicContact CD1-CD1 3.98Å; F54-L68 HydrophobicContact CD1-CG 4.21Å; F54-L68 HydrophobicContact CE1-CD1 3.48Å; F54-L68 VanDerWaalsContact CE1-CD1 3.48Å; F54-L68 HydrophobicContact CE1-CG 4.07Å; F54-L68 HydrophobicContact CZ-CD1 4.35Å; L65-L68 HydrophobicContact CD2-CB 4.47Å; L68-E70 HydrophobicContact CD2-CG 3.45Å; L68-E70 VanDerWaalsContact CD2-CG 3.45Å; L68-A77 WeakPolarHBondContact O-CB 3.41Å
69	Q	98.2	Very high	97	Very high	1 Å²	1	72.8 Å²	72.8	1%	0.005	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.5	172	177.3	68	54.5	0	0	109.8	L53 Y75 F86 F93	L53-Q69 HydrophobicContact CB-CB 4.32Å; L53-Q69 PolarHBondContact N-O 2.93Å; L53-Q69 PolarHBondContact O-N 3.48Å; Q69-Y75 PolarHBondContact NE2-O 2.98Å; Q69-F86 HydrophobicContact CG-CB 3.94Å; Q69-F86 HydrophobicContact CG-CD1 3.58Å; Q69-F86 HydrophobicContact CG-CD2 4.09Å; Q69-F86 HydrophobicContact CG-CE1 4.05Å; Q69-F86 HydrophobicContact CG-CG 3.6Å; Q69-F86 HydrophobicContact CG-CZ 4.49Å; Q69-F93 HydrophobicContact CB-CD2 4.26Å; Q69-F93 HydrophobicContact CB-CE2 3.39Å; Q69-F93 HydrophobicContact CB-CZ 3.87Å; Q69-F93 HydrophobicContact CG-CE2 4.04Å
70	E	97.3	Very high	97	Very high	39 Å²	39	75.5 Å²	75.5	18%	0.182	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.6	174	-51.8	-177	-112.8	0	0	108.9	L52 L68 Y72 K73	L52-E70 HydrophobicContact CD2-CB 4.03Å; L52-E70 HydrophobicContact CD2-CG 3.69Å; L68-E70 HydrophobicContact CD2-CG 3.45Å; L68-E70 VanDerWaalsContact CD2-CG 3.45Å; E70-Y72 HydrophobicContact CB-CD1 3.94Å; E70-Y72 HydrophobicContact CB-CE1 3.59Å; E70-Y72 VanDerWaalsContact CD-OH 3.23Å; E70-Y72 HydrophobicContact CG-CE1 4.22Å; E70-Y72 PolarHBondContact O-N 2.91Å; E70-Y72 VanDerWaalsContact O-N 3.11Å; E70-Y72 WeakPolarHBondContact OE2-CE1 3.43Å; E70-Y72 PolarHBondContact OE2-OH 2.83Å; E70-K73 HydrophobicContact CB-CD 4.04Å; E70-K73 HydrophobicContact CB-CG 4.11Å; E70-K73 HydrophobicContact CG-CD 4.23Å; E70-K73 PolarHBondContact O-N 2.91Å; E70-K73 VanDerWaalsContact O-N 3.1Å; E70-K73 WeakPolarHBondContact OE1-CE 3.34Å; E70-K73 IonicContact OE1-NZ 2.64Å; E70-K73 PolarHBondContact OE1-NZ 3.43Å
71	A	96.2	Very high	97.1	Very high	3 Å²	3	73.2 Å²	73.2	3%	0.025	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.7	-172.6	0	0	0	0	0	115	Y51 K88	Y51-A71 HydrophobicContact CD1-CB 3.67Å; Y51-A71 HydrophobicContact CD2-CB 3.65Å; Y51-A71 HydrophobicContact CE1-CB 3.48Å; Y51-A71 VanDerWaalsContact CE1-CB 3.48Å; Y51-A71 HydrophobicContact CE2-CB 3.45Å; Y51-A71 VanDerWaalsContact CE2-CB 3.45Å; Y51-A71 HydrophobicContact CG-CB 3.74Å; Y51-A71 WeakPolarHBondContact O-CB 3.05Å; Y51-A71 PolarHBondContact O-N 3Å; A71-K88 PolarHBondContact O-NZ 2.83Å
72	Y	94.6	Very high	97.3	Very high	136 Å²	136	71.8 Å²	71.8	53%	0.533	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-13.4	179	67.6	-96.4	0	0	0	112.9	E70	E70-Y72 HydrophobicContact CB-CD1 3.94Å; E70-Y72 HydrophobicContact CB-CE1 3.59Å; E70-Y72 VanDerWaalsContact CD-OH 3.23Å; E70-Y72 HydrophobicContact CG-CE1 4.22Å; E70-Y72 PolarHBondContact O-N 2.91Å; E70-Y72 VanDerWaalsContact O-N 3.11Å; E70-Y72 WeakPolarHBondContact OE2-CE1 3.43Å; E70-Y72 PolarHBondContact OE2-OH 2.83Å
73	K	96.2	Very high	97.3	Very high	62 Å²	62	66.4 Å²	66.4	27%	0.27	33%	0.333	S	S	.	.			trans	-74.9	135.4	176.1	-75.4	179	169.2	172.4	0	110	E70 Y75	E70-K73 HydrophobicContact CB-CD 4.04Å; E70-K73 HydrophobicContact CB-CG 4.11Å; E70-K73 HydrophobicContact CG-CD 4.23Å; E70-K73 PolarHBondContact O-N 2.91Å; E70-K73 VanDerWaalsContact O-N 3.1Å; E70-K73 WeakPolarHBondContact OE1-CE 3.34Å; E70-K73 IonicContact OE1-NZ 2.64Å; E70-K73 PolarHBondContact OE1-NZ 3.43Å; K73-Y75 VanDerWaalsContact C-N 3.35Å; K73-Y75 HydrophobicContact CB-CE1 4.46Å; K73-Y75 HydrophobicContact CD-CE1 4.41Å; K73-Y75 HydrophobicContact CD-CE2 4.01Å; K73-Y75 VanDerWaalsContact CE-OH 3.24Å; K73-Y75 WeakPolarHBondContact CE-OH 2.97Å; K73-Y75 HydrophobicContact CG-CE1 4.36Å
74	Q	93.4	Very high	97.4	Very high	186 Å²	186	62.7 Å²	62.7	87%	0.869	31%	0.311	S	S	*	.	S	Bend	trans	-84.6	-11.7	-179.8	-60.7	-60.5	-38.9	0	0	113.2
75	Y	96.5	Very high	97.4	Very high	146 Å²	146	63.2 Å²	63.2	57%	0.573	31%	0.311	S	S	*	.	S	Bend	trans	-109.7	149.7	178.3	57.6	-94.3	0	0	0	110.6	Q69 K73	Q69-Y75 PolarHBondContact NE2-O 2.98Å; K73-Y75 VanDerWaalsContact C-N 3.35Å; K73-Y75 HydrophobicContact CB-CE1 4.46Å; K73-Y75 HydrophobicContact CD-CE1 4.41Å; K73-Y75 HydrophobicContact CD-CE2 4.01Å; K73-Y75 VanDerWaalsContact CE-OH 3.24Å; K73-Y75 WeakPolarHBondContact CE-OH 2.97Å; K73-Y75 HydrophobicContact CG-CE1 4.36Å
76	N	98.1	Very high	97.4	Very high	65 Å²	65	60.2 Å²	60.2	35%	0.348	30%	0.295	S	S	.	.			trans	-70.4	133.6	172.8	-71.5	-9.4	0	0	0	109.9	V84 F86	N76-V84 HydrophobicContact CB-CG2 3.98Å; N76-V84 WeakPolarHBondContact CB-O 3.38Å; N76-V84 PolarHBondContact ND2-O 2.76Å; N76-F86 WeakPolarHBondContact OD1-CB 3.47Å; N76-F86 PolarHBondContact OD1-N 2.84Å; N76-F86 PolarHBondContact OD1-O 2.99Å
77	A	98.4	Very high	97.3	Very high	16 Å²	16	64 Å²	64	13%	0.132	31%	0.312	C	S	.	.			trans	-60.4	139.2	171.2	0	0	0	0	0	110.4	I67 L68 V84	I67-A77 VanDerWaalsContact CD1-C 3.47Å; I67-A77 HydrophobicContact CD1-CB 3.76Å; I67-A77 VanDerWaalsContact CD1-O 3.31Å; I67-A77 WeakPolarHBondContact CD1-O 3.49Å; I67-A77 HydrophobicContact CG1-CB 3.69Å; L68-A77 WeakPolarHBondContact O-CB 3.41Å; A77-V84 HydrophobicContact CB-CG2 4.08Å; A77-V84 PolarHBondContact O-N 3.17Å
78	T	98	Very high	97.2	Very high	97 Å²	97	68.3 Å²	68.3	60%	0.595	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.9	137.8	173.2	-58.2	0	0	0	0	109.1	F82	T78-F82 CarbonylContact C-O 3.55Å; T78-F82 WeakPolarHBondContact CA-O 3.4Å
79	L	97.4	Very high	97	Very high	92 Å²	92	70.7 Å²	70.7	48%	0.482	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	103.3	175.3	-176.7	65.4	0	0	0	109.3	V66 I67 R81 F82	V66-L79 WeakPolarHBondContact O-CD2 3.5Å; I67-L79 HydrophobicContact CD1-CB 4.38Å; L79-R81 PolarHBondContact O-N 2.76Å; L79-F82 PolarHBondContact N-O 3.38Å; L79-F82 WeakPolarHBondContact O-CB 3.47Å; L79-F82 PolarHBondContact O-N 3.12Å
80	N	96.5	Very high	97	Very high	147 Å²	147	73.7 Å²	73.7	79%	0.786	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	-120.5	-175.2	-57.2	-45.1	0	0	0	111.4	F82	N80-F82 VanDerWaalsContact C-N 3.28Å; N80-F82 PolarHBondContact O-N 3.24Å
81	R	97.8	Very high	96.9	Very high	40 Å²	40	75.4 Å²	75.4	15%	0.151	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.5	178.2	-64.9	-170.4	-58.4	98.9	-3	114.1	L79 I97 S98 D99 Q101 D104	L79-R81 PolarHBondContact O-N 2.76Å; R81-I97 WeakPolarHBondContact O-CA 3.3Å; R81-S98 WeakPolarHBondContact CA-OG 3.47Å; R81-S98 WeakPolarHBondContact CB-O 3.31Å; R81-S98 WeakPolarHBondContact CD-O 3.15Å; R81-S98 PolarHBondContact NH1-O 3.24Å; R81-S98 PolarHBondContact O-N 3.16Å; R81-S98 PolarHBondContact O-OG 3.02Å; R81-D99 WeakPolarHBondContact CD-O 3.32Å; R81-D99 PolarHBondContact NH1-O 3.24Å; R81-Q101 VanDerWaalsContact NE-NE2 3.18Å; R81-Q101 VanDerWaalsContact NH2-CD 3.25Å; R81-D104 IonicContact CZ-OD2 2.8Å; R81-D104 VanDerWaalsContact CZ-OD2 3.29Å; R81-D104 IonicContact NH1-OD2 3.13Å; R81-D104 PolarHBondContact NH1-OD2 2.81Å; R81-D104 IonicContact NH2-OD1 2.76Å; R81-D104 PolarHBondContact NH2-OD1 2.7Å; R81-D104 VanDerWaalsContact NH2-OD1 3.13Å; R81-D104 IonicContact NH2-OD2 2.87Å; R81-D104 PolarHBondContact NH2-OD2 3.44Å
82	F	98.5	Very high	97	Very high	34 Å²	34	76.3 Å²	76.3	15%	0.149	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.7	-179	-58.6	-82	0	0	0	110.2	V66 T78 L79 N80 L95 E96 I97	V66-F82 HydrophobicContact CG1-CB 3.89Å; V66-F82 HydrophobicContact CG1-CD1 3.38Å; V66-F82 HydrophobicContact CG1-CD2 4.12Å; V66-F82 HydrophobicContact CG1-CE1 3.91Å; V66-F82 HydrophobicContact CG1-CG 3.51Å; V66-F82 HydrophobicContact CG1-CZ 4.48Å; T78-F82 CarbonylContact C-O 3.55Å; T78-F82 WeakPolarHBondContact CA-O 3.4Å; L79-F82 PolarHBondContact N-O 3.38Å; L79-F82 WeakPolarHBondContact O-CB 3.47Å; L79-F82 PolarHBondContact O-N 3.12Å; N80-F82 VanDerWaalsContact C-N 3.28Å; N80-F82 PolarHBondContact O-N 3.24Å; F82-L95 HydrophobicContact CB-CD1 4.37Å; F82-L95 HydrophobicContact CD1-CD1 4.39Å; F82-L95 HydrophobicContact CD1-CD2 4.5Å; F82-E96 WeakPolarHBondContact CA-O 3.2Å; F82-I97 HydrophobicContact CD1-CB 4.42Å; F82-I97 HydrophobicContact CD1-CD1 4.34Å; F82-I97 HydrophobicContact CD1-CG1 3.81Å; F82-I97 HydrophobicContact CD1-CG2 4.18Å; F82-I97 HydrophobicContact CE1-CB 4.38Å; F82-I97 HydrophobicContact CE1-CD1 3.92Å; F82-I97 HydrophobicContact CE1-CG1 3.84Å; F82-I97 HydrophobicContact CE1-CG2 3.8Å; F82-I97 HydrophobicContact CZ-CG2 4.43Å
83	S	98.5	Very high	97.2	Very high	24 Å²	24	69.9 Å²	69.9	17%	0.168	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	165	172.8	52.7	0	0	0	0	109.8	L95 E96	S83-L95 WeakPolarHBondContact O-CD1 3.5Å; S83-E96 PolarHBondContact N-O 2.92Å; S83-E96 PolarHBondContact O-N 2.87Å; S83-E96 WeakPolarHBondContact OG-CB 3.29Å
84	V	98.6	Very high	97.3	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.024	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	149.3	173.3	-62.3	0	0	0	0	110.5	I67 N76 A77 F86 F93 S94 L95	I67-V84 HydrophobicContact CD1-CG1 4.2Å; I67-V84 HydrophobicContact CG1-CG1 4.38Å; I67-V84 HydrophobicContact CG2-CG1 3.55Å; N76-V84 HydrophobicContact CB-CG2 3.98Å; N76-V84 WeakPolarHBondContact CB-O 3.38Å; N76-V84 PolarHBondContact ND2-O 2.76Å; A77-V84 HydrophobicContact CB-CG2 4.08Å; A77-V84 PolarHBondContact O-N 3.17Å; V84-F86 HydrophobicContact CG2-CB 4.2Å; V84-F93 HydrophobicContact CB-CD2 4.13Å; V84-F93 HydrophobicContact CB-CE2 3.62Å; V84-F93 HydrophobicContact CB-CZ 4.41Å; V84-F93 HydrophobicContact CG1-CD2 4.31Å; V84-F93 HydrophobicContact CG1-CE2 3.43Å; V84-F93 VanDerWaalsContact CG1-CE2 3.43Å; V84-F93 HydrophobicContact CG1-CZ 3.73Å; V84-F93 HydrophobicContact CG2-CE2 3.89Å; V84-S94 CarbonylContact C-O 3.54Å; V84-S94 VanDerWaalsContact CA-O 3.29Å; V84-S94 WeakPolarHBondContact CA-O 3.11Å; V84-L95 HydrophobicContact CG1-CD1 4.46Å
85	N	97.8	Very high	97.5	Very high	68 Å²	68	58.5 Å²	58.5	36%	0.364	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	88.2	160.4	-174.3	-1.7	0	0	0	107.8	Q87 F93 S94	N85-Q87 WeakPolarHBondContact OD1-CG 3.45Å; N85-Q87 PolarHBondContact OD1-NE2 2.88Å; N85-F93 WeakPolarHBondContact O-CA 3.39Å; N85-S94 PolarHBondContact N-O 3.38Å; N85-S94 PolarHBondContact O-N 2.71Å
86	F	98.1	Very high	97.6	Very high	22 Å²	22	55.1 Å²	55.1	10%	0.096	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	113.6	179.4	174.8	-126.5	0	0	0	110.6	Y44 Y51 L53 Q69 N76 V84 K88 F93	Y44-F86 HydrophobicContact CE1-CD2 4.48Å; Y44-F86 HydrophobicContact CE1-CE2 4.01Å; Y44-F86 AromaticContact CZ-CE2 3.99Å; Y44-F86 WeakPolarHBondContact OH-CE2 3.41Å; Y51-F86 HydrophobicContact CE2-CZ 4.48Å; L53-F86 HydrophobicContact CD1-CD2 3.89Å; L53-F86 HydrophobicContact CD1-CE2 3.54Å; L53-F86 HydrophobicContact CD1-CZ 4.46Å; Q69-F86 HydrophobicContact CG-CB 3.94Å; Q69-F86 HydrophobicContact CG-CD1 3.58Å; Q69-F86 HydrophobicContact CG-CD2 4.09Å; Q69-F86 HydrophobicContact CG-CE1 4.05Å; Q69-F86 HydrophobicContact CG-CG 3.6Å; Q69-F86 HydrophobicContact CG-CZ 4.49Å; N76-F86 WeakPolarHBondContact OD1-CB 3.47Å; N76-F86 PolarHBondContact OD1-N 2.84Å; N76-F86 PolarHBondContact OD1-O 2.99Å; V84-F86 HydrophobicContact CG2-CB 4.2Å; F86-K88 HydrophobicContact CE1-CB 4.23Å; F86-K88 HydrophobicContact CE2-CB 4.38Å; F86-K88 HydrophobicContact CZ-CB 3.85Å; F86-K88 HydrophobicContact CZ-CD 4.39Å; F86-K88 HydrophobicContact CZ-CG 4.23Å; F86-F93 HydrophobicContact CB-CD2 4.14Å; F86-F93 HydrophobicContact CD2-CD2 4.09Å; F86-F93 HydrophobicContact CG-CD2 4.48Å
87	Q	97.2	Very high	97.7	Very high	93 Å²	93	52.3 Å²	52.3	44%	0.435	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	92.7	178.5	-59.5	-175.8	-17.9	0	0	109.5	N85 A89 A90 K91 S92	N85-Q87 WeakPolarHBondContact OD1-CG 3.45Å; N85-Q87 PolarHBondContact OD1-NE2 2.88Å; Q87-A89 PolarHBondContact O-N 2.83Å; Q87-A90 HydrophobicContact CB-CB 4.03Å; Q87-A90 CarbonylContact O-C 3.59Å; Q87-A90 PolarHBondContact O-N 3.27Å; Q87-K91 PolarHBondContact O-N 2.88Å; Q87-S92 PolarHBondContact N-O 3.31Å; Q87-S92 PolarHBondContact O-N 2.99Å; Q87-S92 VanDerWaalsContact O-N 3.12Å
88	K	95.3	Very high	97.6	Very high	99 Å²	99	53.6 Å²	53.6	43%	0.43	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-45.8	-174.3	-174	164.9	-169.7	171.7	0	113.5	Y51 A71 F86 K91	Y51-K88 WeakPolarHBondContact OH-CE 3.42Å; Y51-K88 WeakPolarHBondContact OH-CG 3.46Å; A71-K88 PolarHBondContact O-NZ 2.83Å; F86-K88 HydrophobicContact CE1-CB 4.23Å; F86-K88 HydrophobicContact CE2-CB 4.38Å; F86-K88 HydrophobicContact CZ-CB 3.85Å; F86-K88 HydrophobicContact CZ-CD 4.39Å; F86-K88 HydrophobicContact CZ-CG 4.23Å; K88-K91 PolarHBondContact O-N 3.18Å
89	A	94.9	Very high	97.7	Very high	110 Å²	110	52.8 Å²	52.8	91%	0.909	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-35	-178.6	0	0	0	0	0	113	Q87 K91	Q87-A89 PolarHBondContact O-N 2.83Å; A89-K91 VanDerWaalsContact C-N 3.29Å
90	A	96.9	Very high	97.7	Very high	65 Å²	65	48.7 Å²	48.7	54%	0.537	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-1.1	177.6	0	0	0	0	0	113.1	Q87 S92	Q87-A90 HydrophobicContact CB-CB 4.03Å; Q87-A90 CarbonylContact O-C 3.59Å; Q87-A90 PolarHBondContact O-N 3.27Å; A90-S92 PolarHBondContact O-N 2.76Å
91	K	96.8	Very high	97.8	Very high	75 Å²	75	46.1 Å²	46.1	33%	0.326	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	42.9	-170.7	-49.2	-173.6	-178.2	177.9	0	113.5	T43 Y44 D45 Q87 K88 A89	T43-K91 CarbonylContact C-O 3.55Å; T43-K91 VanDerWaalsContact CA-O 3.26Å; T43-K91 WeakPolarHBondContact CA-O 3.45Å; T43-K91 WeakPolarHBondContact CB-O 3.31Å; Y44-K91 HydrophobicContact CD1-CB 4.43Å; Y44-K91 WeakPolarHBondContact CD1-O 3.36Å; Y44-K91 HydrophobicContact CD2-CB 4.44Å; Y44-K91 VanDerWaalsContact CE1-C 3.42Å; Y44-K91 HydrophobicContact CE1-CB 4.21Å; Y44-K91 HydrophobicContact CE2-CB 4.22Å; Y44-K91 HydrophobicContact CE2-CG 4.49Å; Y44-K91 PolarHBondContact N-O 2.84Å; Y44-K91 WeakPolarHBondContact O-CB 3.39Å; Y44-K91 VanDerWaalsContact O-CD 3.32Å; Y44-K91 WeakPolarHBondContact O-CD 3.26Å; D45-K91 IonicContact OD1-NZ 3.29Å; D45-K91 PolarHBondContact OD1-NZ 2.95Å; D45-K91 IonicContact OD2-NZ 2.7Å; D45-K91 PolarHBondContact OD2-NZ 2.88Å; Q87-K91 PolarHBondContact O-N 2.88Å; K88-K91 PolarHBondContact O-N 3.18Å; A89-K91 VanDerWaalsContact C-N 3.29Å
92	S	97.9	Very high	97.7	Very high	22 Å²	22	51.2 Å²	51.2	15%	0.154	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	142.7	-179.9	-177.5	0	0	0	0	111.5	Q87 A90	Q87-S92 PolarHBondContact N-O 3.31Å; Q87-S92 PolarHBondContact O-N 2.99Å; Q87-S92 VanDerWaalsContact O-N 3.12Å; A90-S92 PolarHBondContact O-N 2.76Å
93	F	98.1	Very high	97.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	60.8	-175.5	-177.8	-120.1	0	0	0	112	C42 Y44 L53 W55 Q69 V84 N85 F86	C42-F93 WeakPolarHBondContact CB-O 3.26Å; C42-F93 CarbonylContact O-C 3.48Å; C42-F93 PolarHBondContact O-N 2.96Å; Y44-F93 HydrophobicContact CD1-CB 4.13Å; Y44-F93 HydrophobicContact CE1-CB 4.31Å; L53-F93 HydrophobicContact CB-CD1 3.68Å; L53-F93 HydrophobicContact CB-CD2 4.18Å; L53-F93 HydrophobicContact CB-CE1 3.55Å; L53-F93 HydrophobicContact CB-CE2 4.05Å; L53-F93 HydrophobicContact CB-CG 4Å; L53-F93 HydrophobicContact CB-CZ 3.74Å; L53-F93 HydrophobicContact CD1-CB 4.03Å; L53-F93 HydrophobicContact CD1-CD1 4.27Å; L53-F93 HydrophobicContact CD1-CD2 4.08Å; L53-F93 HydrophobicContact CD1-CG 3.85Å; L53-F93 HydrophobicContact CD2-CD1 4.06Å; L53-F93 HydrophobicContact CD2-CG 4.38Å; L53-F93 HydrophobicContact CG-CD1 4.23Å; L53-F93 HydrophobicContact CG-CG 4.31Å; W55-F93 AromaticContact CD1-CD1 3.89Å; W55-F93 AromaticContact CD1-CE1 3.18Å; W55-F93 AromaticContact CD1-CZ 3.53Å; W55-F93 HydrophobicContact CG-CE1 4.16Å; W55-F93 AromaticContact NE1-CD1 3.53Å; W55-F93 AromaticContact NE1-CE1 3.35Å; W55-F93 AromaticContact NE1-CZ 3.95Å; W55-F93 PolarHBondContact NE1-O 2.85Å; Q69-F93 HydrophobicContact CB-CD2 4.26Å; Q69-F93 HydrophobicContact CB-CE2 3.39Å; Q69-F93 HydrophobicContact CB-CZ 3.87Å; Q69-F93 HydrophobicContact CG-CE2 4.04Å; V84-F93 HydrophobicContact CB-CD2 4.13Å; V84-F93 HydrophobicContact CB-CE2 3.62Å; V84-F93 HydrophobicContact CB-CZ 4.41Å; V84-F93 HydrophobicContact CG1-CD2 4.31Å; V84-F93 HydrophobicContact CG1-CE2 3.43Å; V84-F93 VanDerWaalsContact CG1-CE2 3.43Å; V84-F93 HydrophobicContact CG1-CZ 3.73Å; V84-F93 HydrophobicContact CG2-CE2 3.89Å; N85-F93 WeakPolarHBondContact O-CA 3.39Å; F86-F93 HydrophobicContact CB-CD2 4.14Å; F86-F93 HydrophobicContact CD2-CD2 4.09Å; F86-F93 HydrophobicContact CG-CD2 4.48Å
94	S	98.4	Very high	97.5	Very high	9 Å²	9	51.2 Å²	51.2	6%	0.063	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	141.5	179.4	-58.7	0	0	0	0	112	L40 D41 V84 N85	L40-S94 CarbonylContact O-C 3.55Å; L40-S94 WeakPolarHBondContact O-CA 3.33Å; L40-S94 VanDerWaalsContact O-CB 3.28Å; L40-S94 WeakPolarHBondContact O-CB 3.32Å; D41-S94 PolarHBondContact OD1-OG 2.83Å; V84-S94 CarbonylContact C-O 3.54Å; V84-S94 VanDerWaalsContact CA-O 3.29Å; V84-S94 WeakPolarHBondContact CA-O 3.11Å; N85-S94 PolarHBondContact N-O 3.38Å; N85-S94 PolarHBondContact O-N 2.71Å
95	L	98.7	Very high	97.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	133.7	168.5	180	71.2	0	0	0	109.2	T39 L40 W55 V66 I67 F82 S83 V84 I97 Y108	T39-L95 CarbonylContact C-O 3.48Å; T39-L95 VanDerWaalsContact CA-O 3.3Å; T39-L95 WeakPolarHBondContact CA-O 3.24Å; L40-L95 HydrophobicContact CB-CB 4.34Å; L40-L95 HydrophobicContact CD1-CD2 4.25Å; L40-L95 PolarHBondContact N-O 2.88Å; L40-L95 PolarHBondContact O-N 2.77Å; W55-L95 HydrophobicContact CB-CD1 4.31Å; W55-L95 HydrophobicContact CB-CD2 4.25Å; W55-L95 HydrophobicContact CD2-CB 3.7Å; W55-L95 HydrophobicContact CD2-CD2 4.21Å; W55-L95 HydrophobicContact CD2-CG 4.48Å; W55-L95 HydrophobicContact CE3-CB 4.39Å; W55-L95 HydrophobicContact CE3-CD2 4.4Å; W55-L95 HydrophobicContact CG-CB 3.81Å; W55-L95 HydrophobicContact CG-CD1 4.2Å; W55-L95 HydrophobicContact CG-CD2 4.16Å; W55-L95 HydrophobicContact CG-CG 4.29Å; W55-L95 HydrophobicContact CZ2-CB 4.02Å; V66-L95 HydrophobicContact CG1-CD1 4.19Å; V66-L95 HydrophobicContact CG1-CD2 4.38Å; I67-L95 HydrophobicContact CG2-CD1 3.66Å; F82-L95 HydrophobicContact CB-CD1 4.37Å; F82-L95 HydrophobicContact CD1-CD1 4.39Å; F82-L95 HydrophobicContact CD1-CD2 4.5Å; S83-L95 WeakPolarHBondContact O-CD1 3.5Å; V84-L95 HydrophobicContact CG1-CD1 4.46Å; L95-I97 HydrophobicContact CD2-CD1 4.13Å; L95-I97 HydrophobicContact CD2-CG1 4.06Å; L95-I97 HydrophobicContact CG-CG1 4.15Å; L95-Y108 HydrophobicContact CD2-CD1 3.75Å; L95-Y108 HydrophobicContact CD2-CE1 3.9Å
96	E	98.5	Very high	97.5	Very high	76 Å²	76	53.2 Å²	53.2	36%	0.355	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.9	168.9	-178.6	177.5	-171.6	0	0	109.5	A38 F82 S83	A38-E96 CarbonylContact O-C 3.6Å; A38-E96 WeakPolarHBondContact O-CA 3.18Å; F82-E96 WeakPolarHBondContact CA-O 3.2Å; S83-E96 PolarHBondContact N-O 2.92Å; S83-E96 PolarHBondContact O-N 2.87Å; S83-E96 WeakPolarHBondContact OG-CB 3.29Å
97	I	98.5	Very high	97.5	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.026	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	106.7	177.2	-48.7	177.4	0	0	0	106.2	S37 A38 R81 F82 L95 Y108	S37-I97 CarbonylContact C-O 3.55Å; S37-I97 VanDerWaalsContact CA-O 3.26Å; S37-I97 WeakPolarHBondContact CA-O 3.45Å; A38-I97 HydrophobicContact CB-CB 4.42Å; A38-I97 PolarHBondContact N-O 3.47Å; A38-I97 PolarHBondContact O-N 2.76Å; R81-I97 WeakPolarHBondContact O-CA 3.3Å; F82-I97 HydrophobicContact CD1-CB 4.42Å; F82-I97 HydrophobicContact CD1-CD1 4.34Å; F82-I97 HydrophobicContact CD1-CG1 3.81Å; F82-I97 HydrophobicContact CD1-CG2 4.18Å; F82-I97 HydrophobicContact CE1-CB 4.38Å; F82-I97 HydrophobicContact CE1-CD1 3.92Å; F82-I97 HydrophobicContact CE1-CG1 3.84Å; F82-I97 HydrophobicContact CE1-CG2 3.8Å; F82-I97 HydrophobicContact CZ-CG2 4.43Å; L95-I97 HydrophobicContact CD2-CD1 4.13Å; L95-I97 HydrophobicContact CD2-CG1 4.06Å; L95-I97 HydrophobicContact CG-CG1 4.15Å; I97-Y108 HydrophobicContact CD1-CE1 4.1Å
98	S	98.3	Very high	97.5	Very high	44 Å²	44	52.5 Å²	52.5	31%	0.308	32%	0.323	S	S	.	.	S	Bend	trans	-82.4	156.8	173.3	61.3	0	0	0	0	111	R81 S100	R81-S98 WeakPolarHBondContact CA-OG 3.47Å; R81-S98 WeakPolarHBondContact CB-O 3.31Å; R81-S98 WeakPolarHBondContact CD-O 3.15Å; R81-S98 PolarHBondContact NH1-O 3.24Å; R81-S98 PolarHBondContact O-N 3.16Å; R81-S98 PolarHBondContact O-OG 3.02Å; S98-S100 PolarHBondContact O-N 3.33Å
99	D	98.1	Very high	97.6	Very high	80 Å²	80	51.7 Å²	51.7	43%	0.428	32%	0.32	S	S	.	.	S	Bend	trans	46.9	58.2	177.2	177.5	46.8	0	0	0	111.9	R81 Q101	R81-D99 WeakPolarHBondContact CD-O 3.32Å; R81-D99 PolarHBondContact NH1-O 3.24Å; D99-Q101 WeakPolarHBondContact O-CG 3.39Å; D99-Q101 PolarHBondContact O-N 3.31Å
100	S	98	Very high	97.8	Very high	5 Å²	5	46.9 Å²	46.9	4%	0.035	28%	0.279	C	S	.	.			trans	-56.6	137.2	-172.5	-64.6	0	0	0	0	112	V34 A35 E36 S98	V34-S100 CarbonylContact C-O 3.57Å; V34-S100 WeakPolarHBondContact CA-O 3.44Å; V34-S100 WeakPolarHBondContact CG1-O 3.36Å; A35-S100 PolarHBondContact N-O 3.4Å; E36-S100 WeakPolarHBondContact O-CB 3.47Å; E36-S100 PolarHBondContact O-N 3.2Å; E36-S100 PolarHBondContact O-OG 3.21Å; S98-S100 PolarHBondContact O-N 3.33Å
101	Q	98.1	Very high	97.8	Very high	94 Å²	94	45.3 Å²	45.3	44%	0.439	27%	0.266	S	S	.	.			trans	-117.9	157.8	-178.5	-59.7	175.6	-5.8	0	0	110.6	R81 D99 G103 D104	R81-Q101 VanDerWaalsContact NE-NE2 3.18Å; R81-Q101 VanDerWaalsContact NH2-CD 3.25Å; D99-Q101 WeakPolarHBondContact O-CG 3.39Å; D99-Q101 PolarHBondContact O-N 3.31Å; Q101-G103 PolarHBondContact O-N 3.27Å; Q101-G103 VanDerWaalsContact O-N 3.12Å; Q101-D104 PolarHBondContact N-OD2 3.36Å; Q101-D104 VanDerWaalsContact O-CB 3.31Å; Q101-D104 WeakPolarHBondContact O-CB 3.46Å; Q101-D104 PolarHBondContact O-N 3.15Å
102	L	96.8	Very high	97.9	Very high	147 Å²	147	43.1 Å²	43.1	77%	0.77	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-55.5	-33.3	176.2	-68	177.8	0	0	0	112.5	V34 D104 A105	V34-L102 HydrophobicContact CG2-CD2 3.94Å; V34-L102 HydrophobicContact CG2-CG 4.2Å; L102-D104 PolarHBondContact O-N 3.31Å; L102-A105 WeakPolarHBondContact O-CB 3.47Å; L102-A105 PolarHBondContact O-N 3.21Å
103	G	96.2	Very high	97.8	Very high	38 Å²	38	49.7 Å²	49.7	39%	0.392	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-64.2	-19.7	176	0	0	0	0	0	114.1	K57 Q59 Q101 A105	K57-G103 PolarHBondContact NZ-O 3.17Å; Q59-G103 PolarHBondContact NE2-O 2.94Å; Q59-G103 VanDerWaalsContact NE2-O 3.16Å; Q59-G103 PolarHBondContact OE1-O 2.03Å; Q101-G103 PolarHBondContact O-N 3.27Å; Q101-G103 VanDerWaalsContact O-N 3.12Å; G103-A105 VanDerWaalsContact C-N 3.27Å; G103-A105 PolarHBondContact O-N 3.08Å
104	D	97.2	Very high	97.5	Very high	20 Å²	20	50.6 Å²	50.6	11%	0.107	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-78	-11.2	177.9	-60.6	-34.5	0	0	0	112.6	R81 Q101 L102 A106 Y108	R81-D104 IonicContact CZ-OD2 2.8Å; R81-D104 VanDerWaalsContact CZ-OD2 3.29Å; R81-D104 IonicContact NH1-OD2 3.13Å; R81-D104 PolarHBondContact NH1-OD2 2.81Å; R81-D104 IonicContact NH2-OD1 2.76Å; R81-D104 PolarHBondContact NH2-OD1 2.7Å; R81-D104 VanDerWaalsContact NH2-OD1 3.13Å; R81-D104 IonicContact NH2-OD2 2.87Å; R81-D104 PolarHBondContact NH2-OD2 3.44Å; Q101-D104 PolarHBondContact N-OD2 3.36Å; Q101-D104 VanDerWaalsContact O-CB 3.31Å; Q101-D104 WeakPolarHBondContact O-CB 3.46Å; Q101-D104 PolarHBondContact O-N 3.15Å; L102-D104 PolarHBondContact O-N 3.31Å; D104-A106 PolarHBondContact O-N 3.1Å; D104-Y108 VanDerWaalsContact O-CE2 3.32Å; D104-Y108 WeakPolarHBondContact O-CE2 3.19Å; D104-Y108 PolarHBondContact O-OH 2.92Å; D104-Y108 VanDerWaalsContact O-OH 3.11Å
105	A	97.3	Very high	96.6	Very high	78 Å²	78	56.5 Å²	56.5	65%	0.645	33%	0.33	S	S	*	.			trans	-64.6	103.5	173.8	0	0	0	0	0	110.8	Q59 L102 G103	Q59-A105 PolarHBondContact NE2-O 2.94Å; L102-A105 WeakPolarHBondContact O-CB 3.47Å; L102-A105 PolarHBondContact O-N 3.21Å; G103-A105 VanDerWaalsContact C-N 3.27Å; G103-A105 PolarHBondContact O-N 3.08Å
106	A	97.8	Very high	96.5	Very high	36 Å²	36	59.3 Å²	59.3	30%	0.298	35%	0.346	S	S	.	.	S	Bend	trans	-162.3	173.3	-173.9	0	0	0	0	0	111.1	K57 Q58 Q59 D104 Y108	K57-A106 HydrophobicContact CD-CB 4.17Å; K57-A106 VanDerWaalsContact CE-CB 3.48Å; K57-A106 HydrophobicContact CG-CB 3.63Å; Q58-A106 WeakPolarHBondContact O-CB 3.42Å; Q59-A106 HydrophobicContact CB-CB 4.15Å; D104-A106 PolarHBondContact O-N 3.1Å; A106-Y108 HydrophobicContact CB-CD2 4.37Å; A106-Y108 HydrophobicContact CB-CE2 3.84Å
107	T	97.8	Very high	96.4	Very high	78 Å²	78	58.4 Å²	58.4	48%	0.479	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	135.6	166.4	-56.3	0	0	0	0	109	Q58 F109	Q58-T107 PolarHBondContact N-O 3.11Å; Q58-T107 PolarHBondContact O-N 2.91Å; Q58-T107 VanDerWaalsContact O-N 3.13Å; T107-F109 HydrophobicContact CG2-CD2 4.4Å; T107-F109 HydrophobicContact CG2-CE1 3.93Å; T107-F109 HydrophobicContact CG2-CE2 3.62Å; T107-F109 HydrophobicContact CG2-CZ 3.36Å
108	Y	98.3	Very high	96.3	Very high	21 Å²	21	61.4 Å²	61.4	8%	0.082	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.5	179.4	-71.9	-103.8	0	0	0	110.8	Q25 L40 Y56 K57 V66 L95 I97 D104 A106	Q25-Y108 PolarHBondContact NE2-O 3.25Å; L40-Y108 HydrophobicContact CD1-CD1 4Å; L40-Y108 HydrophobicContact CD1-CD2 3.72Å; L40-Y108 HydrophobicContact CD1-CE2 4.42Å; L40-Y108 HydrophobicContact CD1-CG 3.48Å; L40-Y108 VanDerWaalsContact CD1-CG 3.48Å; Y56-Y108 CarbonylContact O-C 3.59Å; Y56-Y108 VanDerWaalsContact O-CA 3.24Å; Y56-Y108 WeakPolarHBondContact O-CA 3.44Å; K57-Y108 HydrophobicContact CB-CD1 4.14Å; K57-Y108 HydrophobicContact CB-CE1 3.88Å; K57-Y108 HydrophobicContact CD-CE1 4.24Å; K57-Y108 HydrophobicContact CG-CE1 4.01Å; K57-Y108 HydrophobicContact CG-CE2 4.37Å; V66-Y108 HydrophobicContact CG2-CD1 4.36Å; V66-Y108 HydrophobicContact CG2-CE1 4.06Å; L95-Y108 HydrophobicContact CD2-CD1 3.75Å; L95-Y108 HydrophobicContact CD2-CE1 3.9Å; I97-Y108 HydrophobicContact CD1-CE1 4.1Å; D104-Y108 VanDerWaalsContact O-CE2 3.32Å; D104-Y108 WeakPolarHBondContact O-CE2 3.19Å; D104-Y108 PolarHBondContact O-OH 2.92Å; D104-Y108 VanDerWaalsContact O-OH 3.11Å; A106-Y108 HydrophobicContact CB-CD2 4.37Å; A106-Y108 HydrophobicContact CB-CE2 3.84Å
109	F	97.7	Very high	96.2	Very high	83 Å²	83	62.4 Å²	62.4	36%	0.364	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.3	-178.9	-57.3	-84	0	0	0	110.6	W55 Y56 Q58 T107	W55-F109 CarbonylContact C-O 3.58Å; W55-F109 WeakPolarHBondContact CA-O 3.17Å; Y56-F109 PolarHBondContact N-O 3.42Å; Y56-F109 PolarHBondContact O-N 3.05Å; Q58-F109 HydrophobicContact CB-CD2 4.34Å; Q58-F109 HydrophobicContact CB-CE2 3.67Å; Q58-F109 HydrophobicContact CG-CE2 4.5Å; T107-F109 HydrophobicContact CG2-CD2 4.4Å; T107-F109 HydrophobicContact CG2-CE1 3.93Å; T107-F109 HydrophobicContact CG2-CE2 3.62Å; T107-F109 HydrophobicContact CG2-CZ 3.36Å
110	C	98.3	Very high	96.1	Very high	8 Å²	8	61.3 Å²	61.3	5%	0.054	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	136.5	169.5	-176.7	0	0	0	0	109.2	Q25 C42 F54 W55	Q25-C110 HydrophobicContact CG-CB 3.91Å; C42-C110 HydrophobicContact CB-CB 3.53Å; C42-C110 WeakPolarHBondContact CB-SG 3.03Å; C42-C110 WeakPolarHBondContact SG-CB 3.32Å; C42-C110 CovalentContact SG-SG 2.03Å; C42-C110 PolarHBondContact SG-SG 3.05Å; F54-C110 WeakPolarHBondContact O-CA 3.46Å; W55-C110 HydrophobicContact CD2-CB 4.32Å; W55-C110 HydrophobicContact CE3-CB 4.25Å; W55-C110 HydrophobicContact CH2-CB 4Å; W55-C110 HydrophobicContact CZ2-CB 4.05Å; W55-C110 HydrophobicContact CZ3-CB 4.09Å
111	A	98.1	Very high	95.9	Very high	32 Å²	32	65.1 Å²	65.1	26%	0.264	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	152.8	177.9	0	0	0	0	0	111.4	L53 F54 Y56	L53-A111 WeakPolarHBondContact CA-O 3.03Å; F54-A111 HydrophobicContact CB-CB 4.35Å; F54-A111 HydrophobicContact CD2-CB 4.38Å; F54-A111 PolarHBondContact N-O 2.52Å; F54-A111 PolarHBondContact O-N 2.64Å; Y56-A111 HydrophobicContact CD2-CB 4.48Å; Y56-A111 HydrophobicContact CE2-CB 4.41Å
112	L	97.9	Very high	95.8	Very high	30 Å²	30	63 Å²	63	16%	0.157	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.1	177.9	168.5	67.7	0	0	0	108.4	Q21 V23 D45 T46 Y51 L52 L53	Q21-L112 HydrophobicContact CB-CD2 3.84Å; Q21-L112 HydrophobicContact CG-CD2 4.24Å; V23-L112 HydrophobicContact CG1-CB 3.58Å; D45-L112 WeakPolarHBondContact O-CD2 3.39Å; T46-L112 HydrophobicContact CG2-CD1 4.46Å; T46-L112 HydrophobicContact CG2-CD2 4.42Å; Y51-L112 HydrophobicContact CD2-CD1 3.6Å; Y51-L112 HydrophobicContact CE2-CD1 4.48Å; Y51-L112 HydrophobicContact CG-CD1 4.03Å; L52-L112 WeakPolarHBondContact O-CA 3.24Å; L53-L112 HydrophobicContact CD2-CB 4.06Å; L53-L112 HydrophobicContact CD2-CD1 3.87Å; L53-L112 HydrophobicContact CG-CD1 4.26Å
113	R	96.5	Very high	95.7	Very high	160 Å²	160	56.5 Å²	56.5	60%	0.604	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	111.3	168.5	-169	-171.5	88.6	-179	6.5	109.4	Y51 L52 F54	Y51-R113 CarbonylContact C-O 3.55Å; Y51-R113 VanDerWaalsContact CA-O 3.32Å; Y51-R113 WeakPolarHBondContact CA-O 3.48Å; Y51-R113 WeakPolarHBondContact CB-O 3.09Å; L52-R113 PolarHBondContact N-O 2.92Å; L52-R113 PolarHBondContact O-N 3.41Å; F54-R113 HydrophobicContact CE2-CB 3.78Å; F54-R113 HydrophobicContact CZ-CB 4.37Å
114	G	92	Very high	95.7	Very high	18 Å²	18	58.1 Å²	58.1	19%	0.186	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-179.3	168.7	0	0	0	0	0	114.4	D48	D48-G114 VanDerWaalsContact OD2-C 3.31Å; D48-G114 WeakPolarHBondContact OD2-CA 3.36Å
115	S	79.3	Confident	95.5	Very high	133 Å²	133	61.5 Å²	61.5	93%	0.93	37%	0.369	S	S	*	.			trans	-130.6	0	179.5	65.3	0	0	0	0	111.3	D48 N50	D48-S115 PolarHBondContact OD2-N 3.32Å; N50-S115 PolarHBondContact O-N 3.02Å; N50-S115 PolarHBondContact O-OG 2.82Å; N50-S115 VanDerWaalsContact O-OG 3.05Å

Retrieved 115 of 115 residues in 127.8 ms (Link to these results)

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