A0A075B617_MOUSE Loading...

T cell receptor alpha variable 16D-DV11

AlphaFold DB , UniProt , Accession A0A075B617, Species MOUSE (Mus musculus, Mouse), Gene Trav16d-dv11, Length 117 aa.

						>A0A075B617_MOUSE|A0A075B617|Trav16d-dv11
MLILSLLGAPFFGSICFATSMAQKVTQTQTSISVMEKTTVTMDCVYETQDSSYFLFWYKQTASGEIVFLIRQDSYKKENATVGHYSLNFQKPKSSIGLIITATQIEDSAVYFCAMRE
					

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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	43.7	Very low	46.8	Very low	217 Å²	217	144.2 Å²	144.2	100%	1.069	82%	0.818	S	S	*	*				0	94.8	0	-165.8	166.2	82.4	0	0	107.1	I3	M1-I3 HydrophobicContact CE-CD1 4.03Å; M1-I3 HydrophobicContact CG-CG1 4.42Å; M1-I3 PolarHBondContact O-N 3.5Å
2	L	34.4	Very low	47.7	Very low	170 Å²	170	148.7 Å²	148.7	89%	0.89	82%	0.822	S	S	*	*			trans	-89.5	106.1	-178.1	-99	140.5	0	0	0	108.1
3	I	43.1	Very low	48.8	Very low	132 Å²	132	140.8 Å²	140.8	68%	0.677	80%	0.795	S	S	*	*			trans	-95.3	101	177.4	-49.1	166.1	0	0	0	105.9	M1 S5	M1-I3 HydrophobicContact CE-CD1 4.03Å; M1-I3 HydrophobicContact CG-CG1 4.42Å; M1-I3 PolarHBondContact O-N 3.5Å; I3-S5 PolarHBondContact O-N 3.17Å; I3-S5 VanDerWaalsContact O-N 3.17Å
4	L	41.2	Very low	50.2	Low	160 Å²	160	138.2 Å²	138.2	84%	0.838	79%	0.791	S	S	*	*			trans	-79	94.3	170.3	-83.1	149.3	0	0	0	107.9	L6	L4-L6 PolarHBondContact O-N 2.84Å
5	S	43.9	Very low	51.2	Low	88 Å²	88	137.3 Å²	137.3	62%	0.615	78%	0.78	S	S	*	*			trans	-76.6	104.2	172.1	52.8	0	0	0	0	110	I3 L7	I3-S5 PolarHBondContact O-N 3.17Å; I3-S5 VanDerWaalsContact O-N 3.17Å; S5-L7 PolarHBondContact O-N 3.14Å
6	L	52.6	Low	52.3	Low	180 Å²	180	135.4 Å²	135.4	94%	0.942	78%	0.777	S	S	*	*			trans	-81.1	92.8	165.2	-87.1	146.2	0	0	0	108.6	L4	L4-L6 PolarHBondContact O-N 2.84Å
7	L	43.7	Very low	53	Low	164 Å²	164	137.6 Å²	137.6	86%	0.859	78%	0.776	S	S	*	*			trans	-88	112.8	167.4	-68.1	160.8	0	0	0	107.9	S5	S5-L7 PolarHBondContact O-N 3.14Å
8	G	48	Very low	53.9	Low	75 Å²	75	135.1 Å²	135.1	77%	0.773	78%	0.775	S	S	*	*	S	Bend	trans	147.1	103.6	160.5	0	0	0	0	0	117.4
9	A	54.5	Low	54.6	Low	89 Å²	89	134.6 Å²	134.6	74%	0.736	78%	0.775	S	S	*	*			trans	60.5	121.8	153.5	0	0	0	0	0	119.9	F11	A9-F11 VanDerWaalsContact C-N 3.32Å; A9-F11 PolarHBondContact O-N 3.47Å
10	P	53.5	Low	55.3	Low	110 Å²	110	133.4 Å²	133.4	71%	0.714	77%	0.774	S	S	*	*			trans	-76	86.2	173.8	33.5	-31.2	0	0	0	108.6	F12	P10-F12 VanDerWaalsContact C-N 3.27Å; P10-F12 HydrophobicContact CB-CD2 4.22Å; P10-F12 HydrophobicContact CB-CE2 4.17Å; P10-F12 HydrophobicContact CG-CE2 4.48Å; P10-F12 PolarHBondContact O-N 3.24Å
11	F	56.6	Low	55.9	Low	201 Å²	201	135.9 Å²	135.9	88%	0.882	78%	0.781	S	S	*	*			trans	-63.8	102.4	154.5	-126.4	-98.1	0	0	0	105	A9 G13	A9-F11 VanDerWaalsContact C-N 3.32Å; A9-F11 PolarHBondContact O-N 3.47Å; F11-G13 PolarHBondContact O-N 3.49Å
12	F	57.9	Low	57.4	Low	198 Å²	198	129.7 Å²	129.7	87%	0.868	77%	0.765	S	S	*	*			trans	-66.3	58.7	166.6	-85.3	-93.1	0	0	0	108.6	P10 S14	P10-F12 VanDerWaalsContact C-N 3.27Å; P10-F12 HydrophobicContact CB-CD2 4.22Å; P10-F12 HydrophobicContact CB-CE2 4.17Å; P10-F12 HydrophobicContact CG-CE2 4.48Å; P10-F12 PolarHBondContact O-N 3.24Å; F12-S14 PolarHBondContact O-N 3.34Å
13	G	61.1	Low	59.8	Low	46 Å²	46	126.2 Å²	126.2	47%	0.474	74%	0.744	S	S	.	*			trans	-70.3	106.2	161.7	0	0	0	0	0	105.5	F11 I15	F11-G13 PolarHBondContact O-N 3.49Å; G13-I15 PolarHBondContact O-N 3.31Å
14	S	69	Low	62.2	Low	105 Å²	105	124.9 Å²	124.9	73%	0.734	73%	0.733	S	S	*	*			trans	-56.1	97.4	162.5	-179.2	0	0	0	0	106.4	F12 C16	F12-S14 PolarHBondContact O-N 3.34Å; S14-C16 PolarHBondContact O-N 3.27Å
15	I	65.6	Low	64.8	Low	124 Å²	124	119.6 Å²	119.6	64%	0.636	71%	0.707	S	S	*	*			trans	-66.4	92.9	171.6	-61.3	174.2	0	0	0	104.3	G13 F17	G13-I15 PolarHBondContact O-N 3.31Å; I15-F17 HydrophobicContact CB-CE2 4.22Å; I15-F17 HydrophobicContact CG2-CD1 4.31Å; I15-F17 HydrophobicContact CG2-CD2 4.13Å; I15-F17 HydrophobicContact CG2-CE1 4.01Å; I15-F17 HydrophobicContact CG2-CE2 3.82Å; I15-F17 HydrophobicContact CG2-CG 4.37Å; I15-F17 HydrophobicContact CG2-CZ 3.76Å; I15-F17 WeakPolarHBondContact O-CD2 3.49Å; I15-F17 PolarHBondContact O-N 2.87Å
16	C	67.4	Low	67.3	Low	108 Å²	108	118.3 Å²	118.3	73%	0.73	70%	0.696	S	S	*	*			trans	-64.5	94.2	168.9	-78.4	0	0	0	0	106.5	S14 A18	S14-C16 PolarHBondContact O-N 3.27Å; C16-A18 PolarHBondContact O-N 3.39Å
17	F	64.9	Low	69.5	Low	173 Å²	173	113.1 Å²	113.1	76%	0.759	67%	0.667	S	S	*	*			trans	-66	83.5	159.6	-66.2	-76.7	0	0	0	106.5	I15 T19	I15-F17 HydrophobicContact CB-CE2 4.22Å; I15-F17 HydrophobicContact CG2-CD1 4.31Å; I15-F17 HydrophobicContact CG2-CD2 4.13Å; I15-F17 HydrophobicContact CG2-CE1 4.01Å; I15-F17 HydrophobicContact CG2-CE2 3.82Å; I15-F17 HydrophobicContact CG2-CG 4.37Å; I15-F17 HydrophobicContact CG2-CZ 3.76Å; I15-F17 WeakPolarHBondContact O-CD2 3.49Å; I15-F17 PolarHBondContact O-N 2.87Å; F17-T19 PolarHBondContact O-N 2.9Å
18	A	69.5	Low	71.7	Confident	91 Å²	91	110.6 Å²	110.6	75%	0.752	66%	0.659	S	S	*	*			trans	-61	107.3	165.4	0	0	0	0	0	106	C16 S20	C16-A18 PolarHBondContact O-N 3.39Å; A18-S20 VanDerWaalsContact C-N 3.34Å; A18-S20 PolarHBondContact O-N 2.89Å
19	T	66.9	Low	73.7	Confident	127 Å²	127	110 Å²	110	78%	0.779	64%	0.636	S	S	*	*			trans	-65.8	99.6	170.3	51.3	0	0	0	0	106.6	F17 M21	F17-T19 PolarHBondContact O-N 2.9Å; T19-M21 PolarHBondContact O-N 2.79Å; T19-M21 VanDerWaalsContact O-N 3.12Å
20	S	69	Low	75.2	Confident	109 Å²	109	112.8 Å²	112.8	76%	0.762	64%	0.644	S	S	*	*			trans	-65.1	112.9	167.1	58.1	0	0	0	0	106.8	A18 A22	A18-S20 VanDerWaalsContact C-N 3.34Å; A18-S20 PolarHBondContact O-N 2.89Å; S20-A22 PolarHBondContact O-N 2.94Å
21	M	68.4	Low	77.1	Confident	186 Å²	186	112.9 Å²	112.9	92%	0.916	65%	0.647	S	S	*	*			trans	-68.8	103.9	168.1	-68	-146.7	-87.2	0	0	107	T19	T19-M21 PolarHBondContact O-N 2.79Å; T19-M21 VanDerWaalsContact O-N 3.12Å
22	A	75.3	Confident	78.9	Confident	88 Å²	88	106.7 Å²	106.7	73%	0.727	62%	0.622	S	S	*	*			trans	-74	139.8	174.2	0	0	0	0	0	109	S20 K24	S20-A22 PolarHBondContact O-N 2.94Å; A22-K24 PolarHBondContact O-N 2.98Å
23	Q	84.2	Confident	80.7	Confident	97 Å²	97	103 Å²	103	45%	0.453	62%	0.621	S	S	.	*			trans	-64.2	134.1	172.4	-72.9	163.5	-33.3	0	0	109.5	M115 E117	Q23-M115 HydrophobicContact CB-CE 4.22Å; Q23-M115 HydrophobicContact CG-CE 4.08Å; Q23-M115 PolarHBondContact OE1-O 2.84Å; Q23-M115 VanDerWaalsContact OE1-O 3.07Å; Q23-E117 VanDerWaalsContact NE2-N 3.14Å
24	K	92.1	Very high	82.3	Confident	104 Å²	104	104 Å²	104	45%	0.452	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.1	120.8	-175.8	-172.7	173.7	169.1	-152.6	0	110.9	A22 Y46 E47	A22-K24 PolarHBondContact O-N 2.98Å; K24-Y46 WeakPolarHBondContact O-CA 3.4Å; K24-E47 HydrophobicContact CB-CB 4.39Å; K24-E47 VanDerWaalsContact CE-OE1 3.28Å; K24-E47 WeakPolarHBondContact CE-OE1 3.43Å; K24-E47 IonicContact NZ-OE1 2.69Å; K24-E47 PolarHBondContact NZ-OE1 3.14Å; K24-E47 IonicContact NZ-OE2 3.54Å; K24-E47 PolarHBondContact O-N 2.9Å
25	V	96.7	Very high	83.6	Confident	48 Å²	48	106.1 Å²	106.1	29%	0.291	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126	148.3	168.9	-62.9	0	0	0	0	108.8	V45 M115	V25-V45 CarbonylContact C-O 3.46Å; V25-V45 VanDerWaalsContact CA-O 3.24Å; V25-V45 WeakPolarHBondContact CA-O 3.4Å; V25-M115 HydrophobicContact CG1-CB 3.96Å
26	T	97.2	Very high	85	Confident	62 Å²	62	105.4 Å²	105.4	38%	0.38	61%	0.612	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.5	121.8	-178.2	-56.8	0	0	0	0	109.8	T28 C44 V45	T26-T28 HydrophobicContact CG2-CG2 4.35Å; T26-C44 WeakPolarHBondContact O-CA 3.3Å; T26-V45 PolarHBondContact N-O 3.25Å; T26-V45 PolarHBondContact O-N 3.03Å
27	Q	97.4	Very high	86.5	Confident	70 Å²	70	108.7 Å²	108.7	33%	0.327	61%	0.614	S	S	.	*			trans	-110.6	116.3	170.2	-69.1	172.9	-110.7	0	0	107.9	C44 Y111 C113	Q27-C44 HydrophobicContact CG-CB 4.17Å; Q27-Y111 PolarHBondContact NE2-O 3.36Å; Q27-C113 HydrophobicContact CG-CB 4.12Å
28	T	90.5	Very high	88	Confident	112 Å²	112	103 Å²	103	69%	0.687	59%	0.593	S	S	*	*			trans	-86.4	-21.9	-177.3	52.3	0	0	0	0	112.8	T26 T30	T26-T28 HydrophobicContact CG2-CG2 4.35Å; T28-T30 PolarHBondContact O-N 2.8Å
29	Q	89.1	Confident	89.4	Confident	62 Å²	62	102.9 Å²	102.9	29%	0.29	58%	0.583	S	S	.	*			trans	-81.1	114.2	-177.9	-70.6	150.5	75	0	0	109.6	I32 T41 D43	Q29-I32 HydrophobicContact CB-CD1 4.19Å; Q29-I32 HydrophobicContact CB-CG1 4.44Å; Q29-I32 HydrophobicContact CG-CD1 4.46Å; Q29-I32 VanDerWaalsContact OE1-CD1 3.32Å; Q29-T41 PolarHBondContact OE1-O 2.91Å; Q29-D43 VanDerWaalsContact NE2-CB 3.28Å; Q29-D43 PolarHBondContact NE2-OD2 3.21Å
30	T	86.7	Confident	90.8	Very high	148 Å²	148	97.6 Å²	97.6	91%	0.908	55%	0.551	S	S	*	*			trans	-80.9	-39.5	-178.8	-40.7	0	0	0	0	112.4	T28	T28-T30 PolarHBondContact O-N 2.8Å
31	S	92.8	Very high	92.2	Very high	111 Å²	111	95.1 Å²	95.1	78%	0.776	53%	0.531	S	S	*	.			trans	-157.1	141.9	-179	-178.7	0	0	0	0	109.4
32	I	94.4	Very high	93.6	Very high	71 Å²	71	87 Å²	87	36%	0.364	49%	0.491	S	S	.	.			trans	-131	129.1	177.2	-60.9	160.4	0	0	0	107.5	Q29 V34 V40 M42	Q29-I32 HydrophobicContact CB-CD1 4.19Å; Q29-I32 HydrophobicContact CB-CG1 4.44Å; Q29-I32 HydrophobicContact CG-CD1 4.46Å; Q29-I32 VanDerWaalsContact OE1-CD1 3.32Å; I32-V34 HydrophobicContact CG2-CG1 3.84Å; I32-V40 HydrophobicContact CB-CG2 4.48Å; I32-V40 HydrophobicContact CD1-CG2 4.23Å; I32-V40 HydrophobicContact CG2-CG2 3.55Å; I32-M42 HydrophobicContact CD1-CB 4.46Å; I32-M42 HydrophobicContact CD1-CG 3.56Å
33	S	95.6	Very high	94.6	Very high	121 Å²	121	85.8 Å²	85.8	85%	0.846	47%	0.473	S	S	*	.			trans	-114.2	125.3	174.1	-175.3	0	0	0	0	108.3
34	V	94.8	Very high	95.3	Very high	67 Å²	67	81.2 Å²	81.2	41%	0.406	45%	0.451	S	S	.	.			trans	-136.4	156.8	-179.3	-69.2	0	0	0	0	110.5	I32 V40 T103	I32-V34 HydrophobicContact CG2-CG1 3.84Å; V34-V40 HydrophobicContact CG1-CB 4.12Å; V34-V40 HydrophobicContact CG1-CG2 4.06Å; V34-V40 HydrophobicContact CG2-CB 4.33Å; V34-T103 HydrophobicContact CG2-CG2 4.27Å
35	M	96.1	Very high	95.6	Very high	150 Å²	150	79.5 Å²	79.5	74%	0.739	45%	0.449	S	S	*	.			trans	-80.1	149.5	172.1	-63.7	-62.1	-63.5	0	0	109.8	T38 T103	M35-T38 HydrophobicContact CB-CG2 4.01Å; M35-T38 WeakPolarHBondContact O-CB 3.3Å; M35-T38 VanDerWaalsContact O-CG2 3.3Å; M35-T38 WeakPolarHBondContact O-CG2 3.16Å; M35-T38 PolarHBondContact O-N 3.37Å; M35-T38 PolarHBondContact O-OG1 3.28Å; M35-T103 PolarHBondContact O-OG1 2.79Å; M35-T103 VanDerWaalsContact O-OG1 3.09Å
36	E	96.8	Very high	95.6	Very high	108 Å²	108	77.3 Å²	77.3	51%	0.505	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	154.1	170.6	-70.5	180	-109.9	0	0	111.9	T38 T103 I105	E36-T38 PolarHBondContact O-N 2.97Å; E36-T103 CarbonylContact C-O 3.55Å; E36-T103 VanDerWaalsContact CA-O 3.3Å; E36-T103 WeakPolarHBondContact CA-O 3.35Å; E36-I105 HydrophobicContact CG-CG1 4.11Å; E36-I105 WeakPolarHBondContact OE1-CG1 3.47Å
37	K	97.2	Very high	95.5	Very high	178 Å²	178	79.5 Å²	79.5	77%	0.774	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	12.5	180	-51.6	171.2	-176	173.8	0	113.9	T103	K37-T103 PolarHBondContact N-O 3.03Å; K37-T103 PolarHBondContact N-OG1 2.8Å
38	T	97.8	Very high	95.3	Very high	53 Å²	53	77.7 Å²	77.7	33%	0.325	44%	0.436	S	S	.	.			trans	-96.3	169.2	170.8	67.6	0	0	0	0	111.1	M35 E36 A102 T103	M35-T38 HydrophobicContact CB-CG2 4.01Å; M35-T38 WeakPolarHBondContact O-CB 3.3Å; M35-T38 VanDerWaalsContact O-CG2 3.3Å; M35-T38 WeakPolarHBondContact O-CG2 3.16Å; M35-T38 PolarHBondContact O-N 3.37Å; M35-T38 PolarHBondContact O-OG1 3.28Å; E36-T38 PolarHBondContact O-N 2.97Å; T38-A102 PolarHBondContact O-N 2.8Å; T38-T103 PolarHBondContact N-OG1 3.25Å; T38-T103 VanDerWaalsContact N-OG1 3.14Å; T38-T103 WeakPolarHBondContact O-CB 3.3Å; T38-T103 WeakPolarHBondContact O-CG2 3.3Å; T38-T103 PolarHBondContact O-N 2.84Å; T38-T103 PolarHBondContact O-OG1 2.98Å; T38-T103 PolarHBondContact OG1-OG1 2.98Å
39	T	98	Very high	95.4	Very high	88 Å²	88	82 Å²	82	54%	0.54	45%	0.448	S	S	.	.			trans	-102.7	131.8	172.4	-60.2	0	0	0	0	109.3	I99 I100 T101	T39-I99 HydrophobicContact CG2-CG2 3.66Å; T39-I100 WeakPolarHBondContact CA-O 3.35Å; T39-T101 HydrophobicContact CG2-CG2 4.08Å
40	V	97.2	Very high	95.5	Very high	16 Å²	16	82.8 Å²	82.8	10%	0.097	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	147.3	174.7	63.4	0	0	0	0	110.1	I32 V34 M42 I99 I100 T103	I32-V40 HydrophobicContact CB-CG2 4.48Å; I32-V40 HydrophobicContact CD1-CG2 4.23Å; I32-V40 HydrophobicContact CG2-CG2 3.55Å; V34-V40 HydrophobicContact CG1-CB 4.12Å; V34-V40 HydrophobicContact CG1-CG2 4.06Å; V34-V40 HydrophobicContact CG2-CB 4.33Å; V40-M42 HydrophobicContact CG1-SD 4.09Å; V40-M42 HydrophobicContact CG2-SD 4.17Å; V40-I99 WeakPolarHBondContact O-CA 3.49Å; V40-I100 HydrophobicContact CG1-CB 3.77Å; V40-I100 HydrophobicContact CG1-CD1 4.18Å; V40-I100 HydrophobicContact CG1-CG1 4.08Å; V40-I100 PolarHBondContact N-O 2.72Å; V40-I100 PolarHBondContact O-N 2.79Å; V40-T103 HydrophobicContact CB-CG2 4.46Å; V40-T103 HydrophobicContact CG1-CG2 3.67Å
41	T	97.2	Very high	95.7	Very high	57 Å²	57	80.9 Å²	80.9	35%	0.35	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.4	174.9	-55.5	0	0	0	0	108.8	Q29 L98 I99	Q29-T41 PolarHBondContact OE1-O 2.91Å; T41-L98 CarbonylContact C-O 3.49Å; T41-L98 VanDerWaalsContact CA-O 3.3Å; T41-L98 WeakPolarHBondContact CA-O 3.42Å; T41-I99 HydrophobicContact CG2-CG1 4.14Å
42	M	97.5	Very high	95.9	Very high	15 Å²	15	78 Å²	78	7%	0.074	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.4	172.4	-55.7	89.4	79.9	0	0	109.3	I32 V40 W57 G97 L98 I100 Y111	I32-M42 HydrophobicContact CD1-CB 4.46Å; I32-M42 HydrophobicContact CD1-CG 3.56Å; V40-M42 HydrophobicContact CG1-SD 4.09Å; V40-M42 HydrophobicContact CG2-SD 4.17Å; M42-W57 HydrophobicContact CB-CH2 3.88Å; M42-W57 HydrophobicContact CB-CZ3 4.29Å; M42-W57 WeakPolarHBondContact O-CZ2 3.31Å; M42-G97 CarbonylContact O-C 3.51Å; M42-G97 WeakPolarHBondContact O-CA 3.23Å; M42-L98 HydrophobicContact CE-CB 4.22Å; M42-L98 HydrophobicContact CE-CD2 3.47Å; M42-L98 VanDerWaalsContact CE-CD2 3.47Å; M42-L98 HydrophobicContact CE-CG 3.87Å; M42-L98 PolarHBondContact N-O 3.18Å; M42-L98 PolarHBondContact O-N 2.8Å; M42-I100 HydrophobicContact CE-CD1 3.55Å; M42-I100 HydrophobicContact CE-CG1 4.02Å; M42-I100 HydrophobicContact SD-CD1 4.11Å; M42-I100 HydrophobicContact SD-CG1 4.24Å; M42-Y111 HydrophobicContact CE-CD1 3.7Å; M42-Y111 HydrophobicContact CE-CD2 3.86Å; M42-Y111 HydrophobicContact CE-CE1 4.01Å; M42-Y111 HydrophobicContact CE-CE2 4.18Å; M42-Y111 HydrophobicContact CE-CG 3.61Å
43	D	97.4	Very high	96	Very high	64 Å²	64	74.9 Å²	74.9	34%	0.342	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	143	-175	-52.7	-66.1	0	0	0	112	Q29	Q29-D43 VanDerWaalsContact NE2-CB 3.28Å; Q29-D43 PolarHBondContact NE2-OD2 3.21Å
44	C	98.2	Very high	96.1	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	133.8	171.7	174.1	0	0	0	0	109.7	T26 Q27 W57 S95 I96 C113	T26-C44 WeakPolarHBondContact O-CA 3.3Å; Q27-C44 HydrophobicContact CG-CB 4.17Å; C44-W57 HydrophobicContact CB-CH2 4.11Å; C44-W57 HydrophobicContact CB-CZ2 3.6Å; C44-S95 CarbonylContact O-C 3.51Å; C44-S95 WeakPolarHBondContact O-CA 3.42Å; C44-I96 HydrophobicContact CB-CG2 4.03Å; C44-I96 WeakPolarHBondContact CB-O 3.29Å; C44-I96 PolarHBondContact N-O 2.89Å; C44-I96 PolarHBondContact O-N 2.96Å; C44-C113 HydrophobicContact CB-CB 3.45Å; C44-C113 VanDerWaalsContact CB-CB 3.45Å; C44-C113 WeakPolarHBondContact CB-SG 3.32Å; C44-C113 WeakPolarHBondContact SG-CB 3.42Å; C44-C113 CovalentContact SG-SG 2.03Å; C44-C113 PolarHBondContact SG-SG 3.28Å
45	V	98.1	Very high	96.2	Very high	69 Å²	69	68.1 Å²	68.1	42%	0.418	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	141.6	170.7	179.7	0	0	0	0	108.5	V25 T26 S94	V25-V45 CarbonylContact C-O 3.46Å; V25-V45 VanDerWaalsContact CA-O 3.24Å; V25-V45 WeakPolarHBondContact CA-O 3.4Å; T26-V45 PolarHBondContact N-O 3.25Å; T26-V45 PolarHBondContact O-N 3.03Å; V45-S94 CarbonylContact C-O 3.53Å; V45-S94 WeakPolarHBondContact CA-O 3.36Å; V45-S94 WeakPolarHBondContact CG1-O 3.28Å
46	Y	96.9	Very high	96.4	Very high	1 Å²	1	62.4 Å²	62.4	0%	0.004	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	158.6	178.8	60.7	-90.2	0	0	0	111.1	K24 T48 Y53 L55 F89 S94 I96 M115	K24-Y46 WeakPolarHBondContact O-CA 3.4Å; Y46-T48 HydrophobicContact CD2-CG2 3.85Å; Y46-T48 HydrophobicContact CE2-CG2 3.8Å; Y46-Y53 HydrophobicContact CD2-CE2 4.22Å; Y46-Y53 HydrophobicContact CE2-CD2 4.38Å; Y46-Y53 AromaticContact CE2-CE2 3.44Å; Y46-Y53 HydrophobicContact CE2-CE2 3.44Å; Y46-Y53 VanDerWaalsContact CE2-CE2 3.44Å; Y46-Y53 AromaticContact CE2-CZ 3.59Å; Y46-Y53 WeakPolarHBondContact CE2-OH 3.5Å; Y46-Y53 AromaticContact CZ-CE2 3.71Å; Y46-Y53 AromaticContact CZ-CZ 3.96Å; Y46-Y53 PolarHBondContact OH-OH 3.32Å; Y46-L55 HydrophobicContact CD1-CD1 3.9Å; Y46-L55 HydrophobicContact CD1-CD2 3.62Å; Y46-L55 HydrophobicContact CD1-CG 4.43Å; Y46-L55 HydrophobicContact CD2-CD2 4.27Å; Y46-L55 HydrophobicContact CE1-CD1 3.43Å; Y46-L55 VanDerWaalsContact CE1-CD1 3.43Å; Y46-L55 HydrophobicContact CE1-CD2 4.02Å; Y46-L55 HydrophobicContact CE1-CG 4.37Å; Y46-L55 HydrophobicContact CG-CD2 3.76Å; Y46-F89 HydrophobicContact CE1-CE2 4.39Å; Y46-F89 VanDerWaalsContact OH-CE2 3.28Å; Y46-F89 WeakPolarHBondContact OH-CE2 3.37Å; Y46-S94 VanDerWaalsContact CD1-C 3.5Å; Y46-S94 WeakPolarHBondContact CD1-O 3.47Å; Y46-S94 WeakPolarHBondContact CE1-O 3.33Å; Y46-S94 VanDerWaalsContact CZ-CA 3.47Å; Y46-S94 PolarHBondContact N-O 3.09Å; Y46-S94 WeakPolarHBondContact O-CB 3.33Å; Y46-I96 HydrophobicContact CD1-CG2 4.28Å; Y46-M115 HydrophobicContact CD2-SD 3.64Å; Y46-M115 HydrophobicContact CG-SD 4.06Å
47	E	95.9	Very high	96.4	Very high	108 Å²	108	57.3 Å²	57.3	51%	0.505	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.3	174.6	-67.9	176.2	-154.6	0	0	109.1	K24 M115	K24-E47 HydrophobicContact CB-CB 4.39Å; K24-E47 VanDerWaalsContact CE-OE1 3.28Å; K24-E47 WeakPolarHBondContact CE-OE1 3.43Å; K24-E47 IonicContact NZ-OE1 2.69Å; K24-E47 PolarHBondContact NZ-OE1 3.14Å; K24-E47 IonicContact NZ-OE2 3.54Å; K24-E47 PolarHBondContact O-N 2.9Å; E47-M115 WeakPolarHBondContact O-CE 3.3Å
48	T	93.8	Very high	96.5	Very high	33 Å²	33	52 Å²	52	20%	0.202	28%	0.284	C	S	.	.			trans	-151.7	149.3	174.1	-176.5	0	0	0	0	109.9	Y46 D50 Y53 M115 E117	Y46-T48 HydrophobicContact CD2-CG2 3.85Å; Y46-T48 HydrophobicContact CE2-CG2 3.8Å; T48-D50 PolarHBondContact OG1-N 2.83Å; T48-Y53 HydrophobicContact CG2-CD1 3.73Å; T48-Y53 HydrophobicContact CG2-CD2 4.37Å; T48-Y53 HydrophobicContact CG2-CE1 3.6Å; T48-Y53 HydrophobicContact CG2-CE2 4.24Å; T48-Y53 HydrophobicContact CG2-CG 4.14Å; T48-M115 HydrophobicContact CG2-SD 3.98Å; T48-E117 VanDerWaalsContact CB-OE1 3.3Å; T48-E117 WeakPolarHBondContact CB-OE1 3.34Å; T48-E117 PolarHBondContact OG1-OE1 3Å
49	Q	91.5	Very high	96.5	Very high	201 Å²	201	51.6 Å²	51.6	94%	0.939	28%	0.277	S	S	*	.			trans	-104.7	-5.7	169.3	-61.4	-178.6	25.1	0	0	111.6
50	D	92.1	Very high	96.4	Very high	79 Å²	79	50.4 Å²	50.4	42%	0.422	27%	0.266	S	S	.	.			trans	-76.3	145.2	-175.9	-72.2	-32.9	0	0	0	111.8	T48 Y53 E117	T48-D50 PolarHBondContact OG1-N 2.83Å; D50-Y53 VanDerWaalsContact O-CD1 3.31Å; D50-Y53 WeakPolarHBondContact O-CD1 3.3Å; D50-Y53 WeakPolarHBondContact O-CE1 3.38Å; D50-E117 HydrophobicContact CB-CG 4.14Å; D50-E117 VanDerWaalsContact OD2-CB 3.24Å; D50-E117 WeakPolarHBondContact OD2-CB 3.31Å; D50-E117 WeakPolarHBondContact OD2-CG 3.31Å
51	S	91.4	Very high	96.3	Very high	109 Å²	109	51.6 Å²	51.6	76%	0.762	27%	0.273	S	S	*	.	S	Bend	trans	-76	-28.2	179	61.5	0	0	0	0	112.6	S74 K91	S51-S74 PolarHBondContact O-OG 2.03Å; S51-K91 PolarHBondContact O-NZ 2.85Å
52	S	95.4	Very high	96.1	Very high	50 Å²	50	54.3 Å²	54.3	35%	0.35	30%	0.301	S	S	.	.	S	Bend	trans	-124.7	126.8	-178.1	-179.4	0	0	0	0	109.3	S74	S52-S74 WeakPolarHBondContact CA-OG 3.38Å
53	Y	96.3	Very high	95.9	Very high	6 Å²	6	58.4 Å²	58.4	2%	0.024	33%	0.331	C	S	.	.			trans	-164.2	167.7	179.3	53.9	-88.9	0	0	0	108.6	Y46 T48 D50 L55 S74 M115 R116	Y46-Y53 HydrophobicContact CD2-CE2 4.22Å; Y46-Y53 HydrophobicContact CE2-CD2 4.38Å; Y46-Y53 AromaticContact CE2-CE2 3.44Å; Y46-Y53 HydrophobicContact CE2-CE2 3.44Å; Y46-Y53 VanDerWaalsContact CE2-CE2 3.44Å; Y46-Y53 AromaticContact CE2-CZ 3.59Å; Y46-Y53 WeakPolarHBondContact CE2-OH 3.5Å; Y46-Y53 AromaticContact CZ-CE2 3.71Å; Y46-Y53 AromaticContact CZ-CZ 3.96Å; Y46-Y53 PolarHBondContact OH-OH 3.32Å; T48-Y53 HydrophobicContact CG2-CD1 3.73Å; T48-Y53 HydrophobicContact CG2-CD2 4.37Å; T48-Y53 HydrophobicContact CG2-CE1 3.6Å; T48-Y53 HydrophobicContact CG2-CE2 4.24Å; T48-Y53 HydrophobicContact CG2-CG 4.14Å; D50-Y53 VanDerWaalsContact O-CD1 3.31Å; D50-Y53 WeakPolarHBondContact O-CD1 3.3Å; D50-Y53 WeakPolarHBondContact O-CE1 3.38Å; Y53-L55 HydrophobicContact CD2-CD1 4.47Å; Y53-L55 HydrophobicContact CD2-CD2 4.44Å; Y53-L55 HydrophobicContact CD2-CG 4.12Å; Y53-L55 HydrophobicContact CE2-CD1 3.98Å; Y53-L55 HydrophobicContact CE2-CG 4.13Å; Y53-S74 VanDerWaalsContact CE1-CB 3.47Å; Y53-S74 VanDerWaalsContact CZ-CB 3.41Å; Y53-S74 PolarHBondContact N-OG 3.43Å; Y53-S74 VanDerWaalsContact O-CB 3.25Å; Y53-S74 WeakPolarHBondContact O-CB 3.34Å; Y53-S74 PolarHBondContact O-N 2.61Å; Y53-S74 PolarHBondContact O-OG 3.4Å; Y53-M115 HydrophobicContact CD2-CG 4.33Å; Y53-M115 HydrophobicContact CD2-SD 4.33Å; Y53-R116 CarbonylContact C-O 3.53Å; Y53-R116 WeakPolarHBondContact CA-O 3.28Å; Y53-R116 WeakPolarHBondContact CB-O 3.33Å
54	F	98	Very high	95.9	Very high	45 Å²	45	57.1 Å²	57.1	20%	0.197	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.9	-179.4	-53.3	-62.5	0	0	0	109.7	F56 Q72 D73 Y75 M115 R116	F54-F56 HydrophobicContact CB-CD2 4.43Å; F54-F56 HydrophobicContact CB-CE1 4.41Å; F54-F56 HydrophobicContact CB-CE2 3.42Å; F54-F56 VanDerWaalsContact CB-CE2 3.42Å; F54-F56 HydrophobicContact CB-CZ 3.4Å; F54-F56 HydrophobicContact CG-CZ 4.29Å; F54-F56 WeakPolarHBondContact O-CE2 3.43Å; F54-Q72 WeakPolarHBondContact CA-O 3.33Å; F54-D73 HydrophobicContact CD1-CB 4.37Å; F54-D73 WeakPolarHBondContact CD1-OD1 3.46Å; F54-D73 HydrophobicContact CE1-CB 4.43Å; F54-D73 WeakPolarHBondContact CE1-OD1 2.98Å; F54-Y75 AromaticContact CE1-CE1 3.92Å; F54-Y75 HydrophobicContact CE1-CE1 3.92Å; F54-M115 CarbonylContact O-C 3.56Å; F54-M115 VanDerWaalsContact O-CA 3.31Å; F54-M115 WeakPolarHBondContact O-CA 3.41Å; F54-R116 PolarHBondContact N-O 3.14Å; F54-R116 PolarHBondContact O-N 3.24Å
55	L	98.4	Very high	95.8	Very high	1 Å²	1	63 Å²	63	1%	0.005	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.7	175.4	-63.6	163.1	0	0	0	108.7	Y46 Y53 R71 Q72 F89 I96 A114 M115	Y46-L55 HydrophobicContact CD1-CD1 3.9Å; Y46-L55 HydrophobicContact CD1-CD2 3.62Å; Y46-L55 HydrophobicContact CD1-CG 4.43Å; Y46-L55 HydrophobicContact CD2-CD2 4.27Å; Y46-L55 HydrophobicContact CE1-CD1 3.43Å; Y46-L55 VanDerWaalsContact CE1-CD1 3.43Å; Y46-L55 HydrophobicContact CE1-CD2 4.02Å; Y46-L55 HydrophobicContact CE1-CG 4.37Å; Y46-L55 HydrophobicContact CG-CD2 3.76Å; Y53-L55 HydrophobicContact CD2-CD1 4.47Å; Y53-L55 HydrophobicContact CD2-CD2 4.44Å; Y53-L55 HydrophobicContact CD2-CG 4.12Å; Y53-L55 HydrophobicContact CE2-CD1 3.98Å; Y53-L55 HydrophobicContact CE2-CG 4.13Å; L55-R71 CarbonylContact O-C 3.59Å; L55-R71 WeakPolarHBondContact O-CA 3.48Å; L55-Q72 HydrophobicContact CB-CB 4.29Å; L55-Q72 PolarHBondContact N-O 2.83Å; L55-Q72 PolarHBondContact O-N 2.86Å; L55-F89 HydrophobicContact CD1-CD2 3.88Å; L55-F89 HydrophobicContact CD1-CE2 3.55Å; L55-I96 HydrophobicContact CB-CD1 3.69Å; L55-I96 HydrophobicContact CB-CG2 4.39Å; L55-I96 HydrophobicContact CD1-CB 4.02Å; L55-I96 HydrophobicContact CD1-CD1 3.6Å; L55-I96 HydrophobicContact CD1-CG1 4.43Å; L55-I96 HydrophobicContact CD1-CG2 4.04Å; L55-I96 HydrophobicContact CD2-CG2 4.34Å; L55-I96 HydrophobicContact CG-CD1 4.29Å; L55-A114 WeakPolarHBondContact CA-O 3.13Å; L55-M115 HydrophobicContact CD2-CB 3.78Å; L55-M115 HydrophobicContact CD2-CG 3.65Å; L55-M115 HydrophobicContact CD2-SD 4.26Å
56	F	98.5	Very high	95.8	Very high	30 Å²	30	63.8 Å²	63.8	13%	0.132	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.2	-172.3	-53.7	-96.9	0	0	0	110	F54 Y58 F68 I70 R71 C113 A114 R116	F54-F56 HydrophobicContact CB-CD2 4.43Å; F54-F56 HydrophobicContact CB-CE1 4.41Å; F54-F56 HydrophobicContact CB-CE2 3.42Å; F54-F56 VanDerWaalsContact CB-CE2 3.42Å; F54-F56 HydrophobicContact CB-CZ 3.4Å; F54-F56 HydrophobicContact CG-CZ 4.29Å; F54-F56 WeakPolarHBondContact O-CE2 3.43Å; F56-Y58 HydrophobicContact CB-CD2 4.19Å; F56-Y58 HydrophobicContact CB-CE2 3.44Å; F56-Y58 VanDerWaalsContact CB-CE2 3.44Å; F56-Y58 HydrophobicContact CG-CE2 4.22Å; F56-F68 HydrophobicContact CD1-CD2 4.35Å; F56-F68 AromaticContact CD1-CE2 3.84Å; F56-F68 HydrophobicContact CD1-CE2 3.84Å; F56-I70 WeakPolarHBondContact CA-O 2.94Å; F56-R71 HydrophobicContact CD1-CB 4.06Å; F56-R71 HydrophobicContact CD1-CG 4.13Å; F56-R71 HydrophobicContact CE1-CB 4.21Å; F56-R71 HydrophobicContact CE1-CG 3.87Å; F56-R71 HydrophobicContact CZ-CG 4.42Å; F56-C113 WeakPolarHBondContact O-CA 3.04Å; F56-A114 HydrophobicContact CB-CB 4.39Å; F56-A114 PolarHBondContact N-O 3.1Å; F56-A114 PolarHBondContact O-N 3.15Å; F56-R116 HydrophobicContact CE2-CB 3.72Å; F56-R116 HydrophobicContact CZ-CB 4.39Å
57	W	98.6	Very high	95.8	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.2	162.9	-78.5	87.7	0	0	0	110.2	M42 C44 L69 I70 L87 L98 F112 C113	M42-W57 HydrophobicContact CB-CH2 3.88Å; M42-W57 HydrophobicContact CB-CZ3 4.29Å; M42-W57 WeakPolarHBondContact O-CZ2 3.31Å; C44-W57 HydrophobicContact CB-CH2 4.11Å; C44-W57 HydrophobicContact CB-CZ2 3.6Å; W57-L69 WeakPolarHBondContact O-CB 3.42Å; W57-L69 PolarHBondContact O-N 2.85Å; W57-I70 HydrophobicContact CB-CG2 3.93Å; W57-I70 PolarHBondContact N-O 3.19Å; W57-I70 PolarHBondContact O-N 3.48Å; W57-L87 VanDerWaalsContact CD1-CD2 3.42Å; W57-L87 HydrophobicContact CG-CD2 4.32Å; W57-L98 HydrophobicContact CB-CD2 4.05Å; W57-L98 HydrophobicContact CD2-CB 3.55Å; W57-L98 HydrophobicContact CD2-CD2 3.79Å; W57-L98 HydrophobicContact CD2-CG 4.24Å; W57-L98 VanDerWaalsContact CE2-CB 3.47Å; W57-L98 HydrophobicContact CE3-CB 3.95Å; W57-L98 HydrophobicContact CE3-CD2 3.66Å; W57-L98 HydrophobicContact CE3-CG 4.46Å; W57-L98 HydrophobicContact CG-CB 3.94Å; W57-L98 HydrophobicContact CG-CD1 4.45Å; W57-L98 HydrophobicContact CG-CD2 3.99Å; W57-L98 HydrophobicContact CG-CG 4.37Å; W57-L98 HydrophobicContact CH2-CB 4.15Å; W57-L98 HydrophobicContact CZ2-CB 3.78Å; W57-L98 HydrophobicContact CZ3-CB 4.24Å; W57-L98 HydrophobicContact CZ3-CD2 4.32Å; W57-F112 CarbonylContact C-O 3.55Å; W57-F112 WeakPolarHBondContact CA-O 3.45Å; W57-C113 HydrophobicContact CD2-CB 4.26Å; W57-C113 HydrophobicContact CE3-CB 4.31Å; W57-C113 HydrophobicContact CH2-CB 4.08Å; W57-C113 HydrophobicContact CZ2-CB 4Å; W57-C113 HydrophobicContact CZ3-CB 4.22Å
58	Y	98.2	Very high	96	Very high	68 Å²	68	65.9 Å²	65.9	27%	0.267	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	153.5	175.8	-59.9	-95	0	0	0	109.4	F56 I66 V67 F68 Y111 F112 A114	F56-Y58 HydrophobicContact CB-CD2 4.19Å; F56-Y58 HydrophobicContact CB-CE2 3.44Å; F56-Y58 VanDerWaalsContact CB-CE2 3.44Å; F56-Y58 HydrophobicContact CG-CE2 4.22Å; Y58-I66 HydrophobicContact CD1-CG2 3.85Å; Y58-I66 HydrophobicContact CG-CG2 4.08Å; Y58-V67 CarbonylContact C-O 3.58Å; Y58-V67 VanDerWaalsContact CA-O 3.23Å; Y58-V67 WeakPolarHBondContact CA-O 3.43Å; Y58-F68 HydrophobicContact CD1-CB 4.06Å; Y58-F68 HydrophobicContact CE1-CB 3.88Å; Y58-F68 HydrophobicContact CE1-CD2 4.02Å; Y58-F68 HydrophobicContact CE1-CG 4.45Å; Y58-Y111 WeakPolarHBondContact O-CA 3.09Å; Y58-F112 PolarHBondContact N-O 2.92Å; Y58-F112 PolarHBondContact O-N 2.92Å; Y58-A114 HydrophobicContact CD2-CB 4.45Å; Y58-A114 HydrophobicContact CE2-CB 4.02Å
59	K	97.1	Very high	96.1	Very high	43 Å²	43	65 Å²	65	19%	0.187	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.6	163.5	63.6	176.6	177.3	-176.5	0	110.5	V67 L69 A109 V110 Y111	K59-V67 HydrophobicContact CG-CB 4.07Å; K59-V67 PolarHBondContact N-O 3.29Å; K59-V67 PolarHBondContact O-N 3.05Å; K59-L69 HydrophobicContact CB-CD1 4.03Å; K59-L69 HydrophobicContact CB-CD2 4.43Å; K59-L69 HydrophobicContact CB-CG 4.35Å; K59-L69 HydrophobicContact CD-CD2 3.8Å; K59-L69 HydrophobicContact CG-CD1 4.28Å; K59-L69 HydrophobicContact CG-CD2 3.77Å; K59-L69 HydrophobicContact CG-CG 4.13Å; K59-A109 HydrophobicContact CB-CB 4.2Å; K59-V110 CarbonylContact C-O 3.55Å; K59-V110 WeakPolarHBondContact CA-O 3.25Å; K59-Y111 HydrophobicContact CB-CD1 4.13Å; K59-Y111 HydrophobicContact CB-CE1 3.98Å
60	Q	97.7	Very high	96.5	Very high	64 Å²	64	55.5 Å²	55.5	30%	0.299	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	118.1	165.7	-173.2	169	33.9	0	0	109.2	G64 E65 I66 A109 V110 F112	Q60-G64 PolarHBondContact NE2-O 3.37Å; Q60-E65 CarbonylContact C-O 3.44Å; Q60-E65 VanDerWaalsContact CA-O 3.3Å; Q60-E65 WeakPolarHBondContact CA-O 3.44Å; Q60-I66 HydrophobicContact CB-CD1 3.63Å; Q60-I66 HydrophobicContact CG-CD1 3.7Å; Q60-A109 VanDerWaalsContact O-CB 3.3Å; Q60-A109 WeakPolarHBondContact O-CB 3.32Å; Q60-V110 HydrophobicContact CB-CB 4.22Å; Q60-V110 PolarHBondContact N-O 2.85Å; Q60-F112 HydrophobicContact CB-CE2 3.89Å
61	T	94.1	Very high	96.8	Very high	40 Å²	40	56.5 Å²	56.5	25%	0.245	32%	0.32	C	S	.	.			trans	-70.6	167.8	177.1	66.1	0	0	0	0	110.8	S63 G64 E65 V67	T61-S63 PolarHBondContact O-N 3.45Å; T61-S63 VanDerWaalsContact O-N 3.14Å; T61-S63 PolarHBondContact OG1-N 3.1Å; T61-S63 PolarHBondContact OG1-OG 3.03Å; T61-G64 WeakPolarHBondContact O-CA 3.38Å; T61-G64 PolarHBondContact O-N 3Å; T61-E65 PolarHBondContact N-O 2.95Å; T61-E65 WeakPolarHBondContact OG1-CB 3.38Å; T61-E65 PolarHBondContact OG1-N 2.8Å; T61-E65 PolarHBondContact OG1-O 3.2Å; T61-V67 HydrophobicContact CG2-CG2 3.78Å
62	A	92.5	Very high	97.1	Very high	115 Å²	115	51.4 Å²	51.4	95%	0.95	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.5	174.7	0	0	0	0	0	113.6	G64	A62-G64 PolarHBondContact O-N 2.67Å
63	S	94.7	Very high	97.3	Very high	101 Å²	101	49.2 Å²	49.2	71%	0.706	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-4.7	173.4	61.6	0	0	0	0	113.5	T61 E65	T61-S63 PolarHBondContact O-N 3.45Å; T61-S63 VanDerWaalsContact O-N 3.14Å; T61-S63 PolarHBondContact OG1-N 3.1Å; T61-S63 PolarHBondContact OG1-OG 3.03Å; S63-E65 VanDerWaalsContact C-N 3.34Å
64	G	95.5	Very high	97.3	Very high	37 Å²	37	49.2 Å²	49.2	38%	0.381	27%	0.269	S	S	.	.	S	Bend	trans	87	-0.5	-176.7	0	0	0	0	0	114.4	Q60 T61 A62	Q60-G64 PolarHBondContact NE2-O 3.37Å; T61-G64 WeakPolarHBondContact O-CA 3.38Å; T61-G64 PolarHBondContact O-N 3Å; A62-G64 PolarHBondContact O-N 2.67Å
65	E	97.3	Very high	97.2	Very high	122 Å²	122	53.5 Å²	53.5	57%	0.57	29%	0.285	S	S	*	.			trans	-68.7	133.4	177.2	-176.1	-176.4	-169	0	0	111	Q60 T61 S63 V67	Q60-E65 CarbonylContact C-O 3.44Å; Q60-E65 VanDerWaalsContact CA-O 3.3Å; Q60-E65 WeakPolarHBondContact CA-O 3.44Å; T61-E65 PolarHBondContact N-O 2.95Å; T61-E65 WeakPolarHBondContact OG1-CB 3.38Å; T61-E65 PolarHBondContact OG1-N 2.8Å; T61-E65 PolarHBondContact OG1-O 3.2Å; S63-E65 VanDerWaalsContact C-N 3.34Å; E65-V67 HydrophobicContact CG-CG2 4.06Å
66	I	97.8	Very high	97.2	Very high	87 Å²	87	58.7 Å²	58.7	45%	0.446	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	114.4	175.1	-56	-61.1	0	0	0	109.4	Y58 Q60 F112	Y58-I66 HydrophobicContact CD1-CG2 3.85Å; Y58-I66 HydrophobicContact CG-CG2 4.08Å; Q60-I66 HydrophobicContact CB-CD1 3.63Å; Q60-I66 HydrophobicContact CG-CD1 3.7Å; I66-F112 HydrophobicContact CD1-CD2 4.13Å; I66-F112 HydrophobicContact CD1-CE2 3.88Å
67	V	97.9	Very high	97	Very high	43 Å²	43	66.8 Å²	66.8	26%	0.261	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.5	-176.9	179.6	0	0	0	0	109.8	Y58 K59 T61 E65	Y58-V67 CarbonylContact C-O 3.58Å; Y58-V67 VanDerWaalsContact CA-O 3.23Å; Y58-V67 WeakPolarHBondContact CA-O 3.43Å; K59-V67 HydrophobicContact CG-CB 4.07Å; K59-V67 PolarHBondContact N-O 3.29Å; K59-V67 PolarHBondContact O-N 3.05Å; T61-V67 HydrophobicContact CG2-CG2 3.78Å; E65-V67 HydrophobicContact CG-CG2 4.06Å
68	F	98.1	Very high	96.9	Very high	109 Å²	109	74.4 Å²	74.4	48%	0.478	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	133.2	172	169.8	-104.9	0	0	0	110.9	F56 Y58 I70 R71	F56-F68 HydrophobicContact CD1-CD2 4.35Å; F56-F68 AromaticContact CD1-CE2 3.84Å; F56-F68 HydrophobicContact CD1-CE2 3.84Å; Y58-F68 HydrophobicContact CD1-CB 4.06Å; Y58-F68 HydrophobicContact CE1-CB 3.88Å; Y58-F68 HydrophobicContact CE1-CD2 4.02Å; Y58-F68 HydrophobicContact CE1-CG 4.45Å; F68-I70 VanDerWaalsContact CE2-C 3.42Å; F68-I70 WeakPolarHBondContact CE2-O 3.44Å; F68-I70 VanDerWaalsContact CZ-C 3.47Å; F68-R71 HydrophobicContact CE2-CB 3.96Å; F68-R71 HydrophobicContact CZ-CB 3.78Å
69	L	98	Very high	97	Very high	15 Å²	15	74.4 Å²	74.4	8%	0.079	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-58.6	177.5	-64.6	178.3	0	0	0	112.2	W57 K59 Y85 L98 Y111	W57-L69 WeakPolarHBondContact O-CB 3.42Å; W57-L69 PolarHBondContact O-N 2.85Å; K59-L69 HydrophobicContact CB-CD1 4.03Å; K59-L69 HydrophobicContact CB-CD2 4.43Å; K59-L69 HydrophobicContact CB-CG 4.35Å; K59-L69 HydrophobicContact CD-CD2 3.8Å; K59-L69 HydrophobicContact CG-CD1 4.28Å; K59-L69 HydrophobicContact CG-CD2 3.77Å; K59-L69 HydrophobicContact CG-CG 4.13Å; L69-Y85 HydrophobicContact CD1-CE1 4.36Å; L69-Y85 HydrophobicContact CD2-CD2 4.41Å; L69-Y85 HydrophobicContact CD2-CE2 3.84Å; L69-L98 HydrophobicContact CD1-CD2 4.11Å; L69-Y111 HydrophobicContact CD1-CD1 3.75Å; L69-Y111 HydrophobicContact CD1-CE1 3.54Å
70	I	98.7	Very high	97	Very high	2 Å²	2	73.5 Å²	73.5	1%	0.01	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	150.6	-165.9	-167.5	160.4	0	0	0	111.3	F56 W57 F68 A80 V82 L87 L98	F56-I70 WeakPolarHBondContact CA-O 2.94Å; W57-I70 HydrophobicContact CB-CG2 3.93Å; W57-I70 PolarHBondContact N-O 3.19Å; W57-I70 PolarHBondContact O-N 3.48Å; F68-I70 VanDerWaalsContact CE2-C 3.42Å; F68-I70 WeakPolarHBondContact CE2-O 3.44Å; F68-I70 VanDerWaalsContact CZ-C 3.47Å; I70-A80 HydrophobicContact CD1-CB 3.89Å; I70-A80 WeakPolarHBondContact CD1-O 3.34Å; I70-A80 HydrophobicContact CG1-CB 3.83Å; I70-V82 HydrophobicContact CD1-CB 4.11Å; I70-V82 HydrophobicContact CD1-CG2 3.91Å; I70-V82 HydrophobicContact CG1-CG2 3.99Å; I70-L87 HydrophobicContact CD1-CD1 4.36Å; I70-L87 HydrophobicContact CD1-CG 4.04Å; I70-L87 HydrophobicContact CG1-CD1 3.96Å; I70-L87 HydrophobicContact CG1-CG 4.15Å; I70-L87 HydrophobicContact CG2-CD1 3.99Å; I70-L87 HydrophobicContact CG2-CD2 3.65Å; I70-L87 HydrophobicContact CG2-CG 3.95Å; I70-L98 HydrophobicContact CG2-CD1 4.1Å
71	R	98.4	Very high	97.1	Very high	99 Å²	99	75 Å²	75	37%	0.374	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	138.4	-179.4	170.6	-174.4	157.8	-157	-2.8	110.7	L55 F56 F68 D73 A80	L55-R71 CarbonylContact O-C 3.59Å; L55-R71 WeakPolarHBondContact O-CA 3.48Å; F56-R71 HydrophobicContact CD1-CB 4.06Å; F56-R71 HydrophobicContact CD1-CG 4.13Å; F56-R71 HydrophobicContact CE1-CB 4.21Å; F56-R71 HydrophobicContact CE1-CG 3.87Å; F56-R71 HydrophobicContact CZ-CG 4.42Å; F68-R71 HydrophobicContact CE2-CB 3.96Å; F68-R71 HydrophobicContact CZ-CB 3.78Å; R71-D73 IonicContact CZ-OD1 3.45Å; R71-D73 IonicContact NE-OD1 3.37Å; R71-D73 PolarHBondContact NE-OD1 3.43Å; R71-D73 IonicContact NH2-OD1 3.1Å; R71-D73 PolarHBondContact NH2-OD1 2.81Å; R71-D73 IonicContact NH2-OD2 3Å; R71-A80 WeakPolarHBondContact O-CB 3.22Å
72	Q	98.6	Very high	97.2	Very high	2 Å²	2	76.9 Å²	76.9	1%	0.009	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.3	166.3	-175.5	66.6	38.2	0	0	110.2	F54 L55 K76 E78 L87 F89 I96	F54-Q72 WeakPolarHBondContact CA-O 3.33Å; L55-Q72 HydrophobicContact CB-CB 4.29Å; L55-Q72 PolarHBondContact N-O 2.83Å; L55-Q72 PolarHBondContact O-N 2.86Å; Q72-K76 PolarHBondContact NE2-O 2.98Å; Q72-E78 PolarHBondContact NE2-O 2.94Å; Q72-L87 HydrophobicContact CB-CD1 3.72Å; Q72-F89 HydrophobicContact CG-CB 3.89Å; Q72-F89 HydrophobicContact CG-CD1 3.62Å; Q72-F89 HydrophobicContact CG-CD2 3.99Å; Q72-F89 HydrophobicContact CG-CE1 4.08Å; Q72-F89 HydrophobicContact CG-CE2 4.39Å; Q72-F89 HydrophobicContact CG-CG 3.57Å; Q72-F89 HydrophobicContact CG-CZ 4.44Å; Q72-I96 HydrophobicContact CB-CD1 3.55Å; Q72-I96 HydrophobicContact CG-CD1 4.04Å
73	D	98	Very high	97.4	Very high	5 Å²	5	75 Å²	75	3%	0.027	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.2	170.4	-59.6	-26	0	0	0	109.7	F54 R71 Y75 K76	F54-D73 HydrophobicContact CD1-CB 4.37Å; F54-D73 WeakPolarHBondContact CD1-OD1 3.46Å; F54-D73 HydrophobicContact CE1-CB 4.43Å; F54-D73 WeakPolarHBondContact CE1-OD1 2.98Å; R71-D73 IonicContact CZ-OD1 3.45Å; R71-D73 IonicContact NE-OD1 3.37Å; R71-D73 PolarHBondContact NE-OD1 3.43Å; R71-D73 IonicContact NH2-OD1 3.1Å; R71-D73 PolarHBondContact NH2-OD1 2.81Å; R71-D73 IonicContact NH2-OD2 3Å; D73-Y75 HydrophobicContact CB-CD1 4.13Å; D73-Y75 HydrophobicContact CB-CD2 4.09Å; D73-Y75 HydrophobicContact CB-CE1 3.76Å; D73-Y75 HydrophobicContact CB-CE2 3.66Å; D73-Y75 HydrophobicContact CB-CG 4.29Å; D73-Y75 VanDerWaalsContact CB-CZ 3.47Å; D73-Y75 PolarHBondContact O-N 3.12Å; D73-Y75 VanDerWaalsContact O-N 3.13Å; D73-Y75 PolarHBondContact OD2-OH 2.99Å; D73-K76 HydrophobicContact CB-CB 4.19Å; D73-K76 HydrophobicContact CB-CD 3.91Å; D73-K76 HydrophobicContact CB-CG 3.92Å; D73-K76 PolarHBondContact O-N 3.03Å; D73-K76 WeakPolarHBondContact OD2-CD 3.45Å; D73-K76 WeakPolarHBondContact OD2-CE 3.42Å; D73-K76 IonicContact OD2-NZ 2.97Å; D73-K76 PolarHBondContact OD2-NZ 3.07Å
74	S	97.3	Very high	97.5	Very high	5 Å²	5	72 Å²	72	4%	0.035	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.1	-176.6	75.8	0	0	0	0	114.5	S51 S52 Y53 K91	S51-S74 PolarHBondContact O-OG 2.03Å; S52-S74 WeakPolarHBondContact CA-OG 3.38Å; Y53-S74 VanDerWaalsContact CE1-CB 3.47Å; Y53-S74 VanDerWaalsContact CZ-CB 3.41Å; Y53-S74 PolarHBondContact N-OG 3.43Å; Y53-S74 VanDerWaalsContact O-CB 3.25Å; Y53-S74 WeakPolarHBondContact O-CB 3.34Å; Y53-S74 PolarHBondContact O-N 2.61Å; Y53-S74 PolarHBondContact O-OG 3.4Å; S74-K91 PolarHBondContact O-NZ 2.86Å
75	Y	96	Very high	97.7	Very high	135 Å²	135	71.3 Å²	71.3	53%	0.529	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-12.3	173	56.2	-103.2	0	0	0	113.3	F54 D73	F54-Y75 AromaticContact CE1-CE1 3.92Å; F54-Y75 HydrophobicContact CE1-CE1 3.92Å; D73-Y75 HydrophobicContact CB-CD1 4.13Å; D73-Y75 HydrophobicContact CB-CD2 4.09Å; D73-Y75 HydrophobicContact CB-CE1 3.76Å; D73-Y75 HydrophobicContact CB-CE2 3.66Å; D73-Y75 HydrophobicContact CB-CG 4.29Å; D73-Y75 VanDerWaalsContact CB-CZ 3.47Å; D73-Y75 PolarHBondContact O-N 3.12Å; D73-Y75 VanDerWaalsContact O-N 3.13Å; D73-Y75 PolarHBondContact OD2-OH 2.99Å
76	K	97.2	Very high	97.7	Very high	111 Å²	111	66.8 Å²	66.8	48%	0.483	34%	0.343	S	S	.	.			trans	-87.1	128.2	174.6	-74.4	178.7	178.9	155.7	0	109.8	Q72 D73	Q72-K76 PolarHBondContact NE2-O 2.98Å; D73-K76 HydrophobicContact CB-CB 4.19Å; D73-K76 HydrophobicContact CB-CD 3.91Å; D73-K76 HydrophobicContact CB-CG 3.92Å; D73-K76 PolarHBondContact O-N 3.03Å; D73-K76 WeakPolarHBondContact OD2-CD 3.45Å; D73-K76 WeakPolarHBondContact OD2-CE 3.42Å; D73-K76 IonicContact OD2-NZ 2.97Å; D73-K76 PolarHBondContact OD2-NZ 3.07Å
77	K	94.8	Very high	97.8	Very high	200 Å²	200	62.7 Å²	62.7	87%	0.87	32%	0.322	S	S	*	.			trans	-78.1	-37.2	173.7	-66.7	-176.7	-179.9	179.1	0	112.1
78	E	97.8	Very high	97.8	Very high	159 Å²	159	62.9 Å²	62.9	74%	0.743	32%	0.322	S	S	*	.	S	Bend	trans	-71.2	140.4	179.1	-60.6	-59.7	160.3	0	0	110.7	Q72	Q72-E78 PolarHBondContact NE2-O 2.94Å
79	N	98.5	Very high	97.8	Very high	69 Å²	69	58.9 Å²	58.9	37%	0.369	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-70.6	130.9	174.4	-76.8	-28.5	0	0	0	110.3	L87 F89	N79-L87 WeakPolarHBondContact CB-O 3.19Å; N79-L87 PolarHBondContact ND2-O 3.35Å; N79-L87 VanDerWaalsContact ND2-O 3.11Å; N79-L87 PolarHBondContact OD1-O 2.74Å; N79-F89 VanDerWaalsContact OD1-CB 3.31Å; N79-F89 WeakPolarHBondContact OD1-CB 3.13Å; N79-F89 PolarHBondContact OD1-N 2.82Å
80	A	98.5	Very high	97.7	Very high	24 Å²	24	61.2 Å²	61.2	20%	0.198	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-63.7	140.8	172.4	0	0	0	0	0	110.6	I70 R71 S86 L87	I70-A80 HydrophobicContact CD1-CB 3.89Å; I70-A80 WeakPolarHBondContact CD1-O 3.34Å; I70-A80 HydrophobicContact CG1-CB 3.83Å; R71-A80 WeakPolarHBondContact O-CB 3.22Å; A80-S86 WeakPolarHBondContact O-CA 3.43Å; A80-L87 HydrophobicContact CB-CD1 4.04Å; A80-L87 HydrophobicContact CB-CG 4.5Å; A80-L87 PolarHBondContact O-N 2.95Å
81	T	98.4	Very high	97.6	Very high	95 Å²	95	65.1 Å²	65.1	58%	0.583	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.3	132.2	174.9	-58.2	0	0	0	0	109.3	Y85	T81-Y85 CarbonylContact C-O 3.51Å; T81-Y85 WeakPolarHBondContact CA-O 3.39Å
82	V	97.9	Very high	97.4	Very high	79 Å²	79	66.6 Å²	66.6	48%	0.479	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	111.6	177.2	177.8	0	0	0	0	108.4	I70 H84 Y85	I70-V82 HydrophobicContact CD1-CB 4.11Å; I70-V82 HydrophobicContact CD1-CG2 3.91Å; I70-V82 HydrophobicContact CG1-CG2 3.99Å; V82-H84 PolarHBondContact O-N 2.83Å; V82-Y85 PolarHBondContact N-O 3.02Å; V82-Y85 WeakPolarHBondContact O-CB 3.35Å; V82-Y85 PolarHBondContact O-N 2.99Å
83	G	96.5	Very high	97.3	Very high	76 Å²	76	73.4 Å²	73.4	78%	0.784	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	-126.7	-175	0	0	0	0	0	111	Y85	G83-Y85 VanDerWaalsContact C-N 3.33Å
84	H	97	Very high	97.3	Very high	38 Å²	38	75.1 Å²	75.1	18%	0.176	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	0.8	176.8	65.1	-159.8	0	0	0	114.6	V82 T101 Q104 D107	V82-H84 PolarHBondContact O-N 2.83Å; H84-T101 WeakPolarHBondContact CB-O 3.22Å; H84-T101 PolarHBondContact O-N 3.07Å; H84-T101 PolarHBondContact O-OG1 2.9Å; H84-T101 VanDerWaalsContact O-OG1 3.04Å; H84-Q104 PolarHBondContact CE1-NE2 2.97Å; H84-Q104 PolarHBondContact ND1-NE2 3.33Å; H84-D107 IonicContact CE1-OD1 2.75Å; H84-D107 PolarHBondContact CE1-OD1 2.92Å; H84-D107 IonicContact CE1-OD2 3.63Å; H84-D107 PolarHBondContact CE1-OD2 2.8Å; H84-D107 IonicContact NE2-OD1 2.71Å; H84-D107 PolarHBondContact NE2-OD1 3.22Å; H84-D107 IonicContact NE2-OD2 2.67Å; H84-D107 PolarHBondContact NE2-OD2 2.75Å
85	Y	98.3	Very high	97.3	Very high	23 Å²	23	75.6 Å²	75.6	9%	0.09	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.5	177	-56.9	-68	0	0	0	110.1	L69 T81 V82 G83 L98 I99 I100 D107 Y111	L69-Y85 HydrophobicContact CD1-CE1 4.36Å; L69-Y85 HydrophobicContact CD2-CD2 4.41Å; L69-Y85 HydrophobicContact CD2-CE2 3.84Å; T81-Y85 CarbonylContact C-O 3.51Å; T81-Y85 WeakPolarHBondContact CA-O 3.39Å; V82-Y85 PolarHBondContact N-O 3.02Å; V82-Y85 WeakPolarHBondContact O-CB 3.35Å; V82-Y85 PolarHBondContact O-N 2.99Å; G83-Y85 VanDerWaalsContact C-N 3.33Å; Y85-L98 HydrophobicContact CD1-CD1 4.16Å; Y85-I99 WeakPolarHBondContact CA-O 3.37Å; Y85-I100 HydrophobicContact CD1-CB 4.39Å; Y85-I100 HydrophobicContact CD1-CD1 4.36Å; Y85-I100 HydrophobicContact CD1-CG1 3.85Å; Y85-I100 HydrophobicContact CD1-CG2 4.14Å; Y85-I100 HydrophobicContact CE1-CB 4.43Å; Y85-I100 HydrophobicContact CE1-CD1 3.91Å; Y85-I100 HydrophobicContact CE1-CG1 3.88Å; Y85-I100 HydrophobicContact CE1-CG2 3.87Å; Y85-D107 PolarHBondContact OH-OD1 2.9Å; Y85-Y111 HydrophobicContact CE1-CE1 4.46Å
86	S	98.5	Very high	97.4	Very high	26 Å²	26	69.1 Å²	69.1	18%	0.182	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	156.8	168.6	59.4	0	0	0	0	110.7	A80 I99	A80-S86 WeakPolarHBondContact O-CA 3.43Å; S86-I99 PolarHBondContact N-O 2.86Å; S86-I99 PolarHBondContact O-N 3.01Å; S86-I99 WeakPolarHBondContact OG-CB 3.32Å
87	L	98.7	Very high	97.5	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.01	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	147.1	176.7	-62.1	179.6	0	0	0	110.6	W57 I70 Q72 N79 A80 I96 G97 L98	W57-L87 VanDerWaalsContact CD1-CD2 3.42Å; W57-L87 HydrophobicContact CG-CD2 4.32Å; I70-L87 HydrophobicContact CD1-CD1 4.36Å; I70-L87 HydrophobicContact CD1-CG 4.04Å; I70-L87 HydrophobicContact CG1-CD1 3.96Å; I70-L87 HydrophobicContact CG1-CG 4.15Å; I70-L87 HydrophobicContact CG2-CD1 3.99Å; I70-L87 HydrophobicContact CG2-CD2 3.65Å; I70-L87 HydrophobicContact CG2-CG 3.95Å; Q72-L87 HydrophobicContact CB-CD1 3.72Å; N79-L87 WeakPolarHBondContact CB-O 3.19Å; N79-L87 PolarHBondContact ND2-O 3.35Å; N79-L87 VanDerWaalsContact ND2-O 3.11Å; N79-L87 PolarHBondContact OD1-O 2.74Å; A80-L87 HydrophobicContact CB-CD1 4.04Å; A80-L87 HydrophobicContact CB-CG 4.5Å; A80-L87 PolarHBondContact O-N 2.95Å; L87-I96 HydrophobicContact CB-CD1 4.3Å; L87-I96 HydrophobicContact CB-CG1 4.34Å; L87-I96 HydrophobicContact CD1-CD1 3.84Å; L87-I96 HydrophobicContact CD1-CG1 4.5Å; L87-I96 HydrophobicContact CD2-CG1 4.34Å; L87-I96 HydrophobicContact CG-CD1 4.43Å; L87-G97 CarbonylContact C-O 3.57Å; L87-G97 VanDerWaalsContact CA-O 3.28Å; L87-G97 WeakPolarHBondContact CA-O 3.24Å; L87-L98 HydrophobicContact CD2-CB 4.37Å; L87-L98 HydrophobicContact CD2-CD1 3.96Å
88	N	98.1	Very high	97.6	Very high	47 Å²	47	54.3 Å²	54.3	25%	0.251	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	83.6	166	177.4	33.6	0	0	0	107.9	I96 G97 I99	N88-I96 WeakPolarHBondContact O-CA 3.41Å; N88-G97 PolarHBondContact N-O 3.48Å; N88-G97 PolarHBondContact O-N 2.91Å; N88-I99 HydrophobicContact CB-CD1 4.06Å
89	F	98.3	Very high	97.7	Very high	24 Å²	24	48.5 Å²	48.5	11%	0.105	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	116	-176.6	179	-135.4	0	0	0	111.3	Y46 L55 Q72 N79 K91 I96	Y46-F89 HydrophobicContact CE1-CE2 4.39Å; Y46-F89 VanDerWaalsContact OH-CE2 3.28Å; Y46-F89 WeakPolarHBondContact OH-CE2 3.37Å; L55-F89 HydrophobicContact CD1-CD2 3.88Å; L55-F89 HydrophobicContact CD1-CE2 3.55Å; Q72-F89 HydrophobicContact CG-CB 3.89Å; Q72-F89 HydrophobicContact CG-CD1 3.62Å; Q72-F89 HydrophobicContact CG-CD2 3.99Å; Q72-F89 HydrophobicContact CG-CE1 4.08Å; Q72-F89 HydrophobicContact CG-CE2 4.39Å; Q72-F89 HydrophobicContact CG-CG 3.57Å; Q72-F89 HydrophobicContact CG-CZ 4.44Å; N79-F89 VanDerWaalsContact OD1-CB 3.31Å; N79-F89 WeakPolarHBondContact OD1-CB 3.13Å; N79-F89 PolarHBondContact OD1-N 2.82Å; F89-K91 HydrophobicContact CE1-CB 4Å; F89-K91 HydrophobicContact CE1-CD 4.5Å; F89-K91 HydrophobicContact CE2-CB 4.13Å; F89-K91 HydrophobicContact CZ-CB 3.64Å; F89-K91 HydrophobicContact CZ-CD 4.14Å; F89-K91 HydrophobicContact CZ-CG 4.04Å; F89-I96 HydrophobicContact CB-CD1 4.36Å; F89-I96 HydrophobicContact CD2-CD1 4.09Å
90	Q	97.2	Very high	97.7	Very high	65 Å²	65	45.4 Å²	45.4	30%	0.304	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	76.3	179.7	-61.2	-169.1	-29.7	0	0	110	P92 K93 S94 S95	Q90-P92 VanDerWaalsContact C-CD 3.46Å; Q90-K93 HydrophobicContact CB-CB 4.31Å; Q90-K93 PolarHBondContact O-N 3.02Å; Q90-S94 PolarHBondContact O-N 2.71Å; Q90-S95 PolarHBondContact N-O 3.17Å; Q90-S95 PolarHBondContact O-N 2.76Å
91	K	95.8	Very high	97.6	Very high	84 Å²	84	46.9 Å²	46.9	37%	0.365	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-48.3	-46.5	-179.3	-170.6	167.5	-169.2	171.6	0	114.2	S51 S74 F89 K93 S94	S51-K91 PolarHBondContact O-NZ 2.85Å; S74-K91 PolarHBondContact O-NZ 2.86Å; F89-K91 HydrophobicContact CE1-CB 4Å; F89-K91 HydrophobicContact CE1-CD 4.5Å; F89-K91 HydrophobicContact CE2-CB 4.13Å; F89-K91 HydrophobicContact CZ-CB 3.64Å; F89-K91 HydrophobicContact CZ-CD 4.14Å; F89-K91 HydrophobicContact CZ-CG 4.04Å; K91-K93 PolarHBondContact O-N 3.04Å; K91-K93 VanDerWaalsContact O-N 3.14Å; K91-S94 PolarHBondContact O-N 2.96Å; K91-S94 VanDerWaalsContact O-N 3.1Å
92	P	94.9	Very high	97.6	Very high	129 Å²	129	45.1 Å²	45.1	84%	0.838	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-65.6	-18.2	-178.9	-22	34.8	0	0	0	114.8	Q90	Q90-P92 VanDerWaalsContact C-CD 3.46Å
93	K	96.3	Very high	97.6	Very high	146 Å²	146	41.7 Å²	41.7	64%	0.635	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-105.6	5.4	179.4	-62.1	-176.4	-177.8	176.1	0	112.5	Q90 K91 S95	Q90-K93 HydrophobicContact CB-CB 4.31Å; Q90-K93 PolarHBondContact O-N 3.02Å; K91-K93 PolarHBondContact O-N 3.04Å; K91-K93 VanDerWaalsContact O-N 3.14Å; K93-S95 PolarHBondContact O-N 2.67Å; K93-S95 VanDerWaalsContact O-N 3.15Å
94	S	97	Very high	97.6	Very high	40 Å²	40	42.6 Å²	42.6	28%	0.28	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	43.3	-170.7	-48.9	0	0	0	0	112.8	V45 Y46 Q90 K91	V45-S94 CarbonylContact C-O 3.53Å; V45-S94 WeakPolarHBondContact CA-O 3.36Å; V45-S94 WeakPolarHBondContact CG1-O 3.28Å; Y46-S94 VanDerWaalsContact CD1-C 3.5Å; Y46-S94 WeakPolarHBondContact CD1-O 3.47Å; Y46-S94 WeakPolarHBondContact CE1-O 3.33Å; Y46-S94 VanDerWaalsContact CZ-CA 3.47Å; Y46-S94 PolarHBondContact N-O 3.09Å; Y46-S94 WeakPolarHBondContact O-CB 3.33Å; Q90-S94 PolarHBondContact O-N 2.71Å; K91-S94 PolarHBondContact O-N 2.96Å; K91-S94 VanDerWaalsContact O-N 3.1Å
95	S	97.8	Very high	97.5	Very high	15 Å²	15	45.8 Å²	45.8	11%	0.105	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.6	-174.9	175.7	0	0	0	0	111.6	C44 Q90 K93	C44-S95 CarbonylContact O-C 3.51Å; C44-S95 WeakPolarHBondContact O-CA 3.42Å; Q90-S95 PolarHBondContact N-O 3.17Å; Q90-S95 PolarHBondContact O-N 2.76Å; K93-S95 PolarHBondContact O-N 2.67Å; K93-S95 VanDerWaalsContact O-N 3.15Å
96	I	98.3	Very high	97.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	110.4	172.2	-168.4	149.8	0	0	0	111	C44 Y46 L55 Q72 L87 N88 F89	C44-I96 HydrophobicContact CB-CG2 4.03Å; C44-I96 WeakPolarHBondContact CB-O 3.29Å; C44-I96 PolarHBondContact N-O 2.89Å; C44-I96 PolarHBondContact O-N 2.96Å; Y46-I96 HydrophobicContact CD1-CG2 4.28Å; L55-I96 HydrophobicContact CB-CD1 3.69Å; L55-I96 HydrophobicContact CB-CG2 4.39Å; L55-I96 HydrophobicContact CD1-CB 4.02Å; L55-I96 HydrophobicContact CD1-CD1 3.6Å; L55-I96 HydrophobicContact CD1-CG1 4.43Å; L55-I96 HydrophobicContact CD1-CG2 4.04Å; L55-I96 HydrophobicContact CD2-CG2 4.34Å; L55-I96 HydrophobicContact CG-CD1 4.29Å; Q72-I96 HydrophobicContact CB-CD1 3.55Å; Q72-I96 HydrophobicContact CG-CD1 4.04Å; L87-I96 HydrophobicContact CB-CD1 4.3Å; L87-I96 HydrophobicContact CB-CG1 4.34Å; L87-I96 HydrophobicContact CD1-CD1 3.84Å; L87-I96 HydrophobicContact CD1-CG1 4.5Å; L87-I96 HydrophobicContact CD2-CG1 4.34Å; L87-I96 HydrophobicContact CG-CD1 4.43Å; N88-I96 WeakPolarHBondContact O-CA 3.41Å; F89-I96 HydrophobicContact CB-CD1 4.36Å; F89-I96 HydrophobicContact CD2-CD1 4.09Å
97	G	98.2	Very high	97.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	141.6	172.2	0	0	0	0	0	111.6	M42 L87 N88	M42-G97 CarbonylContact O-C 3.51Å; M42-G97 WeakPolarHBondContact O-CA 3.23Å; L87-G97 CarbonylContact C-O 3.57Å; L87-G97 VanDerWaalsContact CA-O 3.28Å; L87-G97 WeakPolarHBondContact CA-O 3.24Å; N88-G97 PolarHBondContact N-O 3.48Å; N88-G97 PolarHBondContact O-N 2.91Å
98	L	98.6	Very high	96.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	122.8	162.1	174.9	61.4	0	0	0	108.8	T41 M42 W57 L69 I70 Y85 L87 I100 Y111	T41-L98 CarbonylContact C-O 3.49Å; T41-L98 VanDerWaalsContact CA-O 3.3Å; T41-L98 WeakPolarHBondContact CA-O 3.42Å; M42-L98 HydrophobicContact CE-CB 4.22Å; M42-L98 HydrophobicContact CE-CD2 3.47Å; M42-L98 VanDerWaalsContact CE-CD2 3.47Å; M42-L98 HydrophobicContact CE-CG 3.87Å; M42-L98 PolarHBondContact N-O 3.18Å; M42-L98 PolarHBondContact O-N 2.8Å; W57-L98 HydrophobicContact CB-CD2 4.05Å; W57-L98 HydrophobicContact CD2-CB 3.55Å; W57-L98 HydrophobicContact CD2-CD2 3.79Å; W57-L98 HydrophobicContact CD2-CG 4.24Å; W57-L98 VanDerWaalsContact CE2-CB 3.47Å; W57-L98 HydrophobicContact CE3-CB 3.95Å; W57-L98 HydrophobicContact CE3-CD2 3.66Å; W57-L98 HydrophobicContact CE3-CG 4.46Å; W57-L98 HydrophobicContact CG-CB 3.94Å; W57-L98 HydrophobicContact CG-CD1 4.45Å; W57-L98 HydrophobicContact CG-CD2 3.99Å; W57-L98 HydrophobicContact CG-CG 4.37Å; W57-L98 HydrophobicContact CH2-CB 4.15Å; W57-L98 HydrophobicContact CZ2-CB 3.78Å; W57-L98 HydrophobicContact CZ3-CB 4.24Å; W57-L98 HydrophobicContact CZ3-CD2 4.32Å; L69-L98 HydrophobicContact CD1-CD2 4.11Å; I70-L98 HydrophobicContact CG2-CD1 4.1Å; Y85-L98 HydrophobicContact CD1-CD1 4.16Å; L87-L98 HydrophobicContact CD2-CB 4.37Å; L87-L98 HydrophobicContact CD2-CD1 3.96Å; L98-I100 HydrophobicContact CG-CG1 4.31Å; L98-Y111 HydrophobicContact CD2-CD1 3.54Å; L98-Y111 HydrophobicContact CD2-CE1 3.9Å; L98-Y111 HydrophobicContact CD2-CG 4.46Å
99	I	98.5	Very high	96.8	Very high	37 Å²	37	54.8 Å²	54.8	19%	0.19	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127.7	174.8	-58.8	168.6	0	0	0	107.7	T39 V40 T41 Y85 S86 N88 T101	T39-I99 HydrophobicContact CG2-CG2 3.66Å; V40-I99 WeakPolarHBondContact O-CA 3.49Å; T41-I99 HydrophobicContact CG2-CG1 4.14Å; Y85-I99 WeakPolarHBondContact CA-O 3.37Å; S86-I99 PolarHBondContact N-O 2.86Å; S86-I99 PolarHBondContact O-N 3.01Å; S86-I99 WeakPolarHBondContact OG-CB 3.32Å; N88-I99 HydrophobicContact CB-CD1 4.06Å; I99-T101 HydrophobicContact CG2-CG2 4.09Å
100	I	98.3	Very high	96.8	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.021	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.3	171.1	-43.5	-179.1	0	0	0	107.2	T39 V40 M42 Y85 L98 T103 Y111	T39-I100 WeakPolarHBondContact CA-O 3.35Å; V40-I100 HydrophobicContact CG1-CB 3.77Å; V40-I100 HydrophobicContact CG1-CD1 4.18Å; V40-I100 HydrophobicContact CG1-CG1 4.08Å; V40-I100 PolarHBondContact N-O 2.72Å; V40-I100 PolarHBondContact O-N 2.79Å; M42-I100 HydrophobicContact CE-CD1 3.55Å; M42-I100 HydrophobicContact CE-CG1 4.02Å; M42-I100 HydrophobicContact SD-CD1 4.11Å; M42-I100 HydrophobicContact SD-CG1 4.24Å; Y85-I100 HydrophobicContact CD1-CB 4.39Å; Y85-I100 HydrophobicContact CD1-CD1 4.36Å; Y85-I100 HydrophobicContact CD1-CG1 3.85Å; Y85-I100 HydrophobicContact CD1-CG2 4.14Å; Y85-I100 HydrophobicContact CE1-CB 4.43Å; Y85-I100 HydrophobicContact CE1-CD1 3.91Å; Y85-I100 HydrophobicContact CE1-CG1 3.88Å; Y85-I100 HydrophobicContact CE1-CG2 3.87Å; L98-I100 HydrophobicContact CG-CG1 4.31Å; I100-T103 HydrophobicContact CB-CG2 4.22Å; I100-T103 HydrophobicContact CG2-CG2 4.04Å; I100-Y111 HydrophobicContact CD1-CE1 3.8Å; I100-Y111 HydrophobicContact CD1-CE2 4.22Å; I100-Y111 WeakPolarHBondContact CD1-OH 3.15Å
101	T	98	Very high	96.8	Very high	55 Å²	55	55.5 Å²	55.5	34%	0.337	31%	0.312	S	S	.	.			trans	-97	154.5	176.9	56.7	0	0	0	0	110.7	T39 H84 I99 T103	T39-T101 HydrophobicContact CG2-CG2 4.08Å; H84-T101 WeakPolarHBondContact CB-O 3.22Å; H84-T101 PolarHBondContact O-N 3.07Å; H84-T101 PolarHBondContact O-OG1 2.9Å; H84-T101 VanDerWaalsContact O-OG1 3.04Å; I99-T101 HydrophobicContact CG2-CG2 4.09Å; T101-T103 PolarHBondContact O-N 2.6Å
102	A	97.4	Very high	96.9	Very high	57 Å²	57	55.4 Å²	55.4	47%	0.471	31%	0.312	S	S	.	.	S	Bend	trans	48.8	46.4	178.1	0	0	0	0	0	112.9	T38 Q104	T38-A102 PolarHBondContact O-N 2.8Å; A102-Q104 WeakPolarHBondContact O-CG 3.28Å
103	T	97.5	Very high	97	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.043	27%	0.274	C	S	.	.			trans	-45.5	138.7	-174.9	41.4	0	0	0	0	113.6	V34 M35 E36 K37 T38 V40 I100 T101	V34-T103 HydrophobicContact CG2-CG2 4.27Å; M35-T103 PolarHBondContact O-OG1 2.79Å; M35-T103 VanDerWaalsContact O-OG1 3.09Å; E36-T103 CarbonylContact C-O 3.55Å; E36-T103 VanDerWaalsContact CA-O 3.3Å; E36-T103 WeakPolarHBondContact CA-O 3.35Å; K37-T103 PolarHBondContact N-O 3.03Å; K37-T103 PolarHBondContact N-OG1 2.8Å; T38-T103 PolarHBondContact N-OG1 3.25Å; T38-T103 VanDerWaalsContact N-OG1 3.14Å; T38-T103 WeakPolarHBondContact O-CB 3.3Å; T38-T103 WeakPolarHBondContact O-CG2 3.3Å; T38-T103 PolarHBondContact O-N 2.84Å; T38-T103 PolarHBondContact O-OG1 2.98Å; T38-T103 PolarHBondContact OG1-OG1 2.98Å; V40-T103 HydrophobicContact CB-CG2 4.46Å; V40-T103 HydrophobicContact CG1-CG2 3.67Å; I100-T103 HydrophobicContact CB-CG2 4.22Å; I100-T103 HydrophobicContact CG2-CG2 4.04Å; T101-T103 PolarHBondContact O-N 2.6Å
104	Q	96.5	Very high	97	Very high	96 Å²	96	44.1 Å²	44.1	45%	0.449	26%	0.256	S	S	.	.			trans	-122	164.5	-178.9	-55.8	172.9	67.5	0	0	110.2	H84 A102 E106 D107	H84-Q104 PolarHBondContact CE1-NE2 2.97Å; H84-Q104 PolarHBondContact ND1-NE2 3.33Å; A102-Q104 WeakPolarHBondContact O-CG 3.28Å; Q104-E106 VanDerWaalsContact CB-OE2 3.29Å; Q104-E106 WeakPolarHBondContact CB-OE2 3.1Å; Q104-E106 PolarHBondContact O-N 2.95Å; Q104-D107 PolarHBondContact N-OD2 2.69Å; Q104-D107 WeakPolarHBondContact O-CB 3.45Å; Q104-D107 PolarHBondContact O-N 3.11Å
105	I	94.6	Very high	97	Very high	105 Å²	105	42.6 Å²	42.6	54%	0.538	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-58.2	-34.8	177.9	-63.1	178.4	0	0	0	110.4	E36 D107 S108	E36-I105 HydrophobicContact CG-CG1 4.11Å; E36-I105 WeakPolarHBondContact OE1-CG1 3.47Å; I105-D107 PolarHBondContact O-N 2.95Å; I105-S108 WeakPolarHBondContact O-CB 3.48Å; I105-S108 PolarHBondContact O-N 3.04Å; I105-S108 PolarHBondContact O-OG 3.22Å
106	E	93.9	Very high	96.9	Very high	137 Å²	137	49.7 Å²	49.7	64%	0.64	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-68.6	-13.1	179.4	-60.7	73.5	-161.3	0	0	114	Q104 S108	Q104-E106 VanDerWaalsContact CB-OE2 3.29Å; Q104-E106 WeakPolarHBondContact CB-OE2 3.1Å; Q104-E106 PolarHBondContact O-N 2.95Å; E106-S108 VanDerWaalsContact C-N 3.26Å
107	D	95.5	Very high	96.5	Very high	15 Å²	15	54.7 Å²	54.7	8%	0.08	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-81.4	-4.8	169.9	-67.4	-54.5	0	0	0	112.3	H84 Y85 Q104 I105 A109 Y111	H84-D107 IonicContact CE1-OD1 2.75Å; H84-D107 PolarHBondContact CE1-OD1 2.92Å; H84-D107 IonicContact CE1-OD2 3.63Å; H84-D107 PolarHBondContact CE1-OD2 2.8Å; H84-D107 IonicContact NE2-OD1 2.71Å; H84-D107 PolarHBondContact NE2-OD1 3.22Å; H84-D107 IonicContact NE2-OD2 2.67Å; H84-D107 PolarHBondContact NE2-OD2 2.75Å; Y85-D107 PolarHBondContact OH-OD1 2.9Å; Q104-D107 PolarHBondContact N-OD2 2.69Å; Q104-D107 WeakPolarHBondContact O-CB 3.45Å; Q104-D107 PolarHBondContact O-N 3.11Å; I105-D107 PolarHBondContact O-N 2.95Å; D107-A109 PolarHBondContact O-N 2.82Å; D107-Y111 WeakPolarHBondContact O-CE2 3.24Å; D107-Y111 PolarHBondContact O-OH 3.13Å
108	S	95.1	Very high	96.4	Very high	97 Å²	97	57.5 Å²	57.5	68%	0.678	31%	0.307	S	S	*	.			trans	-68.3	99.7	174.9	-57	0	0	0	0	110.3	I105 E106	I105-S108 WeakPolarHBondContact O-CB 3.48Å; I105-S108 PolarHBondContact O-N 3.04Å; I105-S108 PolarHBondContact O-OG 3.22Å; E106-S108 VanDerWaalsContact C-N 3.26Å
109	A	96.2	Very high	96.3	Very high	37 Å²	37	60.5 Å²	60.5	31%	0.306	32%	0.323	S	S	.	.	S	Bend	trans	-158	169.2	-173.3	0	0	0	0	0	111.7	K59 Q60 D107 Y111	K59-A109 HydrophobicContact CB-CB 4.2Å; Q60-A109 VanDerWaalsContact O-CB 3.3Å; Q60-A109 WeakPolarHBondContact O-CB 3.32Å; D107-A109 PolarHBondContact O-N 2.82Å; A109-Y111 HydrophobicContact CB-CD2 4.39Å; A109-Y111 HydrophobicContact CB-CE2 3.85Å; A109-Y111 WeakPolarHBondContact O-CD2 3.48Å
110	V	96.6	Very high	96.2	Very high	78 Å²	78	61.8 Å²	61.8	47%	0.473	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132.7	164.3	-178.2	0	0	0	0	108.4	K59 Q60 F112	K59-V110 CarbonylContact C-O 3.55Å; K59-V110 WeakPolarHBondContact CA-O 3.25Å; Q60-V110 HydrophobicContact CB-CB 4.22Å; Q60-V110 PolarHBondContact N-O 2.85Å; V110-F112 HydrophobicContact CB-CE2 4.38Å; V110-F112 HydrophobicContact CB-CZ 4.45Å; V110-F112 HydrophobicContact CG1-CE1 4.02Å; V110-F112 HydrophobicContact CG1-CE2 3.82Å; V110-F112 HydrophobicContact CG1-CZ 3.54Å
111	Y	97.5	Very high	96	Very high	26 Å²	26	65.2 Å²	65.2	10%	0.102	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.9	-178.5	-71.4	-98.8	0	0	0	111.1	Q27 M42 Y58 K59 L69 Y85 L98 I100 D107 A109	Q27-Y111 PolarHBondContact NE2-O 3.36Å; M42-Y111 HydrophobicContact CE-CD1 3.7Å; M42-Y111 HydrophobicContact CE-CD2 3.86Å; M42-Y111 HydrophobicContact CE-CE1 4.01Å; M42-Y111 HydrophobicContact CE-CE2 4.18Å; M42-Y111 HydrophobicContact CE-CG 3.61Å; Y58-Y111 WeakPolarHBondContact O-CA 3.09Å; K59-Y111 HydrophobicContact CB-CD1 4.13Å; K59-Y111 HydrophobicContact CB-CE1 3.98Å; L69-Y111 HydrophobicContact CD1-CD1 3.75Å; L69-Y111 HydrophobicContact CD1-CE1 3.54Å; Y85-Y111 HydrophobicContact CE1-CE1 4.46Å; L98-Y111 HydrophobicContact CD2-CD1 3.54Å; L98-Y111 HydrophobicContact CD2-CE1 3.9Å; L98-Y111 HydrophobicContact CD2-CG 4.46Å; I100-Y111 HydrophobicContact CD1-CE1 3.8Å; I100-Y111 HydrophobicContact CD1-CE2 4.22Å; I100-Y111 WeakPolarHBondContact CD1-OH 3.15Å; D107-Y111 WeakPolarHBondContact O-CE2 3.24Å; D107-Y111 PolarHBondContact O-OH 3.13Å; A109-Y111 HydrophobicContact CB-CD2 4.39Å; A109-Y111 HydrophobicContact CB-CE2 3.85Å; A109-Y111 WeakPolarHBondContact O-CD2 3.48Å
112	F	97.3	Very high	95.9	Very high	82 Å²	82	65.8 Å²	65.8	36%	0.36	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.7	-179.8	-62.1	-74.2	0	0	0	110.7	W57 Y58 Q60 I66 V110	W57-F112 CarbonylContact C-O 3.55Å; W57-F112 WeakPolarHBondContact CA-O 3.45Å; Y58-F112 PolarHBondContact N-O 2.92Å; Y58-F112 PolarHBondContact O-N 2.92Å; Q60-F112 HydrophobicContact CB-CE2 3.89Å; I66-F112 HydrophobicContact CD1-CD2 4.13Å; I66-F112 HydrophobicContact CD1-CE2 3.88Å; V110-F112 HydrophobicContact CB-CE2 4.38Å; V110-F112 HydrophobicContact CB-CZ 4.45Å; V110-F112 HydrophobicContact CG1-CE1 4.02Å; V110-F112 HydrophobicContact CG1-CE2 3.82Å; V110-F112 HydrophobicContact CG1-CZ 3.54Å
113	C	97.8	Very high	95.8	Very high	8 Å²	8	66.4 Å²	66.4	5%	0.054	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	143.1	165.6	177.6	0	0	0	0	109.6	Q27 C44 F56 W57	Q27-C113 HydrophobicContact CG-CB 4.12Å; C44-C113 HydrophobicContact CB-CB 3.45Å; C44-C113 VanDerWaalsContact CB-CB 3.45Å; C44-C113 WeakPolarHBondContact CB-SG 3.32Å; C44-C113 WeakPolarHBondContact SG-CB 3.42Å; C44-C113 CovalentContact SG-SG 2.03Å; C44-C113 PolarHBondContact SG-SG 3.28Å; F56-C113 WeakPolarHBondContact O-CA 3.04Å; W57-C113 HydrophobicContact CD2-CB 4.26Å; W57-C113 HydrophobicContact CE3-CB 4.31Å; W57-C113 HydrophobicContact CH2-CB 4.08Å; W57-C113 HydrophobicContact CZ2-CB 4Å; W57-C113 HydrophobicContact CZ3-CB 4.22Å
114	A	97.4	Very high	95.7	Very high	30 Å²	30	70.6 Å²	70.6	25%	0.248	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	160	173.1	0	0	0	0	0	111.3	L55 F56 Y58	L55-A114 WeakPolarHBondContact CA-O 3.13Å; F56-A114 HydrophobicContact CB-CB 4.39Å; F56-A114 PolarHBondContact N-O 3.1Å; F56-A114 PolarHBondContact O-N 3.15Å; Y58-A114 HydrophobicContact CD2-CB 4.45Å; Y58-A114 HydrophobicContact CE2-CB 4.02Å
115	M	96.5	Very high	95.6	Very high	9 Å²	9	68.7 Å²	68.7	4%	0.044	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.1	176.3	-173.6	-176.2	72.9	0	0	109.5	Q23 V25 Y46 E47 T48 Y53 F54 L55 E117	Q23-M115 HydrophobicContact CB-CE 4.22Å; Q23-M115 HydrophobicContact CG-CE 4.08Å; Q23-M115 PolarHBondContact OE1-O 2.84Å; Q23-M115 VanDerWaalsContact OE1-O 3.07Å; V25-M115 HydrophobicContact CG1-CB 3.96Å; Y46-M115 HydrophobicContact CD2-SD 3.64Å; Y46-M115 HydrophobicContact CG-SD 4.06Å; E47-M115 WeakPolarHBondContact O-CE 3.3Å; T48-M115 HydrophobicContact CG2-SD 3.98Å; Y53-M115 HydrophobicContact CD2-CG 4.33Å; Y53-M115 HydrophobicContact CD2-SD 4.33Å; F54-M115 CarbonylContact O-C 3.56Å; F54-M115 VanDerWaalsContact O-CA 3.31Å; F54-M115 WeakPolarHBondContact O-CA 3.41Å; L55-M115 HydrophobicContact CD2-CB 3.78Å; L55-M115 HydrophobicContact CD2-CG 3.65Å; L55-M115 HydrophobicContact CD2-SD 4.26Å; M115-E117 HydrophobicContact CE-CG 4.26Å
116	R	95.2	Very high	95.7	Very high	164 Å²	164	65.7 Å²	65.7	62%	0.619	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	126	169.7	-171.6	-175.7	-175.6	-176.5	4.6	110	Y53 F54 F56	Y53-R116 CarbonylContact C-O 3.53Å; Y53-R116 WeakPolarHBondContact CA-O 3.28Å; Y53-R116 WeakPolarHBondContact CB-O 3.33Å; F54-R116 PolarHBondContact N-O 3.14Å; F54-R116 PolarHBondContact O-N 3.24Å; F56-R116 HydrophobicContact CE2-CB 3.72Å; F56-R116 HydrophobicContact CZ-CB 4.39Å
117	E	89.6	Confident	95.9	Very high	105 Å²	105	59.2 Å²	59.2	49%	0.491	31%	0.314	S	S	.	.			trans	-79.5	0	168.8	-68.3	163.7	167.2	0	0	111.3	Q23 T48 D50 M115	Q23-E117 VanDerWaalsContact NE2-N 3.14Å; T48-E117 VanDerWaalsContact CB-OE1 3.3Å; T48-E117 WeakPolarHBondContact CB-OE1 3.34Å; T48-E117 PolarHBondContact OG1-OE1 3Å; D50-E117 HydrophobicContact CB-CG 4.14Å; D50-E117 VanDerWaalsContact OD2-CB 3.24Å; D50-E117 WeakPolarHBondContact OD2-CB 3.31Å; D50-E117 WeakPolarHBondContact OD2-CG 3.31Å; M115-E117 HydrophobicContact CE-CG 4.26Å

Retrieved 117 of 117 residues in 118 ms (Link to these results)

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