A0A075B653_MOUSE Loading...

T cell receptor alpha variable 16

AlphaFold DB , UniProt , Accession A0A075B653, Species MOUSE (Mus musculus, Mouse), Gene Trav16, Length 116 aa.

						>A0A075B653_MOUSE|A0A075B653|Trav16
MLILSLLGAAFGSICFATSMAQKVTQTQTSISVMEKTTVTMDCVYETRDSSYFLFWYKQTASGEIVFLIRQDSYKKENATEGHYSLNFQKPKSSIGLIITATQIEDSAVYFCAMRE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.7	Very low	51.3	Low	240 Å²	240	144.1 Å²	144.1	100%	1.182	83%	0.83	S	S	*	*				0	93.1	0	-142.3	156.8	79.2	0	0	107
2	L	33.1	Very low	52.1	Low	154 Å²	154	137.6 Å²	137.6	81%	0.806	82%	0.818	S	S	*	*			trans	-82.9	132.6	173.2	-85.9	100.7	0	0	0	108.2
3	I	47.5	Very low	53.5	Low	156 Å²	156	135.6 Å²	135.6	80%	0.8	82%	0.815	S	S	*	*			trans	-143.6	94	145.9	-50.6	177.9	0	0	0	107.3
4	L	42.2	Very low	54.4	Low	153 Å²	153	135.1 Å²	135.1	80%	0.801	80%	0.804	S	S	*	*			trans	-83.6	107.4	157.5	-88.9	102.3	0	0	0	107	L6	L4-L6 PolarHBondContact O-N 3.21Å
5	S	50.2	Low	55.2	Low	97 Å²	97	133.9 Å²	133.9	68%	0.678	80%	0.803	S	S	*	*			trans	-84.1	105.6	170.8	50.2	0	0	0	0	109.7	L7	S5-L7 PolarHBondContact O-N 3.27Å
6	L	52.7	Low	55.7	Low	168 Å²	168	136.2 Å²	136.2	88%	0.88	80%	0.8	S	S	*	*			trans	-78.7	108.4	166.1	-81.7	145.5	0	0	0	108.4	L4 G8	L4-L6 PolarHBondContact O-N 3.21Å; L6-G8 PolarHBondContact O-N 2.89Å
7	L	54.7	Low	56.3	Low	168 Å²	168	134.1 Å²	134.1	88%	0.88	80%	0.802	S	S	*	*			trans	-70.4	106.5	167	-81.1	109.6	0	0	0	108.7	S5 A9	S5-L7 PolarHBondContact O-N 3.27Å; L7-A9 PolarHBondContact O-N 3.32Å
8	G	54.5	Low	56.6	Low	74 Å²	74	132.6 Å²	132.6	76%	0.763	79%	0.793	S	S	*	*			trans	-67.1	120.9	170.7	0	0	0	0	0	110.7	L6 A10	L6-G8 PolarHBondContact O-N 2.89Å; G8-A10 PolarHBondContact O-N 2.63Å
9	A	62.3	Low	57.2	Low	78 Å²	78	131.2 Å²	131.2	65%	0.645	79%	0.791	S	S	*	*			trans	-70.6	111.6	169.4	0	0	0	0	0	109.2	L7 F11	L7-A9 PolarHBondContact O-N 3.32Å; A9-F11 HydrophobicContact CB-CD2 4.48Å; A9-F11 HydrophobicContact CB-CE2 4.1Å; A9-F11 PolarHBondContact O-N 3.2Å
10	A	59.7	Low	57.7	Low	102 Å²	102	129.6 Å²	129.6	84%	0.843	78%	0.776	S	S	*	*			trans	-75.1	100.2	168.3	0	0	0	0	0	108.5	G8 G12	G8-A10 PolarHBondContact O-N 2.63Å; A10-G12 PolarHBondContact O-N 2.79Å
11	F	64.7	Low	58.7	Low	195 Å²	195	127.1 Å²	127.1	86%	0.855	77%	0.77	S	S	*	*			trans	-71.9	95	166.9	-73	-83.1	0	0	0	108.2	A9 S13	A9-F11 HydrophobicContact CB-CD2 4.48Å; A9-F11 HydrophobicContact CB-CE2 4.1Å; A9-F11 PolarHBondContact O-N 3.2Å; F11-S13 PolarHBondContact O-N 3.35Å; F11-S13 VanDerWaalsContact O-N 3.15Å
12	G	60.8	Low	60.9	Low	66 Å²	66	118.9 Å²	118.9	68%	0.68	73%	0.728	S	S	*	*			trans	-60.5	112.9	170.2	0	0	0	0	0	109.7	A10 I14	A10-G12 PolarHBondContact O-N 2.79Å; G12-I14 PolarHBondContact O-N 3.16Å; G12-I14 VanDerWaalsContact O-N 3.13Å
13	S	70.6	Confident	63.9	Low	112 Å²	112	116.7 Å²	116.7	78%	0.783	71%	0.712	S	S	*	*			trans	-69.7	105.2	176.1	-164.9	0	0	0	0	109	F11 C15	F11-S13 PolarHBondContact O-N 3.35Å; F11-S13 VanDerWaalsContact O-N 3.15Å; S13-C15 PolarHBondContact O-N 3.15Å; S13-C15 VanDerWaalsContact O-N 3.11Å
14	I	65.7	Low	66.2	Low	129 Å²	129	111.7 Å²	111.7	66%	0.662	69%	0.688	S	S	*	*			trans	-70.6	102.7	172.9	-61.4	172	0	0	0	107.5	G12 F16	G12-I14 PolarHBondContact O-N 3.16Å; G12-I14 VanDerWaalsContact O-N 3.13Å; I14-F16 HydrophobicContact CB-CE2 4.19Å; I14-F16 HydrophobicContact CG2-CD2 3.89Å; I14-F16 HydrophobicContact CG2-CE1 4.38Å; I14-F16 HydrophobicContact CG2-CE2 3.55Å; I14-F16 HydrophobicContact CG2-CG 4.44Å; I14-F16 HydrophobicContact CG2-CZ 3.82Å; I14-F16 PolarHBondContact O-N 2.97Å; I14-F16 VanDerWaalsContact O-N 3.14Å
15	C	67	Low	68.9	Low	117 Å²	117	106.7 Å²	106.7	79%	0.791	67%	0.665	S	S	*	*			trans	-73.9	98.4	169.5	-77.2	0	0	0	0	109.2	S13 A17	S13-C15 PolarHBondContact O-N 3.15Å; S13-C15 VanDerWaalsContact O-N 3.11Å; C15-A17 PolarHBondContact O-N 2.88Å
16	F	63.6	Low	71.1	Confident	170 Å²	170	105.5 Å²	105.5	75%	0.746	65%	0.648	S	S	*	*			trans	-69.7	109.4	163.5	-71.5	-83.8	0	0	0	108.3	I14 T18	I14-F16 HydrophobicContact CB-CE2 4.19Å; I14-F16 HydrophobicContact CG2-CD2 3.89Å; I14-F16 HydrophobicContact CG2-CE1 4.38Å; I14-F16 HydrophobicContact CG2-CE2 3.55Å; I14-F16 HydrophobicContact CG2-CG 4.44Å; I14-F16 HydrophobicContact CG2-CZ 3.82Å; I14-F16 PolarHBondContact O-N 2.97Å; I14-F16 VanDerWaalsContact O-N 3.14Å; F16-T18 PolarHBondContact O-N 3.38Å
17	A	65.1	Low	73.1	Confident	101 Å²	101	102.8 Å²	102.8	84%	0.835	64%	0.639	S	S	*	*			trans	-62.6	106.5	169.7	0	0	0	0	0	108.3	C15 S19	C15-A17 PolarHBondContact O-N 2.88Å; A17-S19 PolarHBondContact O-N 3.03Å; A17-S19 VanDerWaalsContact O-N 3.13Å
18	T	61.9	Low	75	Confident	106 Å²	106	98.1 Å²	98.1	65%	0.65	61%	0.613	S	S	*	*			trans	-64.1	114.2	173.1	52.9	0	0	0	0	108.3	F16 M20 R48	F16-T18 PolarHBondContact O-N 3.38Å; T18-M20 PolarHBondContact O-N 2.65Å; T18-R48 PolarHBondContact O-NH1 2.76Å; T18-R48 PolarHBondContact O-NH2 2.95Å
19	S	68	Low	76.8	Confident	107 Å²	107	101.6 Å²	101.6	75%	0.748	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-62	118.5	162	47.9	0	0	0	0	107	A17 A21	A17-S19 PolarHBondContact O-N 3.03Å; A17-S19 VanDerWaalsContact O-N 3.13Å; S19-A21 PolarHBondContact O-N 3.02Å
20	M	67.1	Low	78.4	Confident	99 Å²	99	102.5 Å²	102.5	49%	0.488	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-68.1	118.7	170.7	-75.6	-71.9	-69.7	0	0	106.7	T18 E46 R48	T18-M20 PolarHBondContact O-N 2.65Å; M20-E46 WeakPolarHBondContact CE-OE2 3.16Å; M20-R48 VanDerWaalsContact CG-NH2 3.27Å
21	A	79.5	Confident	80.2	Confident	78 Å²	78	100.9 Å²	100.9	65%	0.645	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-65.9	143.5	168.7	0	0	0	0	0	108.9	S19	S19-A21 PolarHBondContact O-N 3.02Å
22	Q	89	Confident	81.7	Confident	67 Å²	67	97.1 Å²	97.1	31%	0.313	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-61.5	139.6	170	-69.2	-161.8	-36	0	0	110.8	E46 T47 D49 M114 E116	Q22-E46 WeakPolarHBondContact CA-O 3.42Å; Q22-T47 PolarHBondContact NE2-OG1 3.49Å; Q22-D49 PolarHBondContact NE2-OD2 3.22Å; Q22-M114 HydrophobicContact CB-CE 3.5Å; Q22-M114 VanDerWaalsContact CB-CE 3.5Å; Q22-M114 HydrophobicContact CG-CE 3.78Å; Q22-E116 WeakPolarHBondContact CG-OE1 3.48Å; Q22-E116 VanDerWaalsContact NE2-CD 3.26Å; Q22-E116 PolarHBondContact NE2-OE1 3.28Å; Q22-E116 PolarHBondContact OE1-OE1 3.15Å
23	K	94.6	Very high	83.4	Confident	108 Å²	108	97.4 Å²	97.4	47%	0.47	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-146.5	146.5	-178.2	-173.6	-179.5	170.9	-158.2	0	111.3	T25 Y45 E46	K23-T25 WeakPolarHBondContact CE-OG1 3.47Å; K23-Y45 CarbonylContact O-C 3.51Å; K23-Y45 VanDerWaalsContact O-CA 3.23Å; K23-Y45 WeakPolarHBondContact O-CA 3.2Å; K23-E46 HydrophobicContact CB-CB 4.3Å; K23-E46 PolarHBondContact N-O 3.38Å; K23-E46 VanDerWaalsContact N-O 3.13Å; K23-E46 IonicContact NZ-OE1 3.93Å; K23-E46 PolarHBondContact O-N 3.16Å
24	V	97.2	Very high	84.6	Confident	50 Å²	50	99.1 Å²	99.1	30%	0.303	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.1	147	163.8	-64.5	0	0	0	0	109	V44 M114	V24-V44 CarbonylContact C-O 3.48Å; V24-V44 WeakPolarHBondContact CA-O 3.39Å; V24-M114 HydrophobicContact CG1-CB 3.92Å
25	T	97.8	Very high	86.1	Confident	49 Å²	49	97.6 Å²	97.6	30%	0.301	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.5	123.5	-179.8	-54.3	0	0	0	0	109.3	K23 T27 V44	K23-T25 WeakPolarHBondContact CE-OG1 3.47Å; T25-T27 HydrophobicContact CG2-CG2 4.31Å; T25-V44 PolarHBondContact N-O 3.24Å; T25-V44 PolarHBondContact O-N 3Å
26	Q	98	Very high	87.5	Confident	71 Å²	71	100.5 Å²	100.5	33%	0.332	57%	0.57	S	S	.	*			trans	-115.1	119.3	170.9	-68.8	175.3	-108.8	0	0	107.8	C43 Y110 C112	Q26-C43 HydrophobicContact CG-CB 4.29Å; Q26-Y110 PolarHBondContact NE2-O 3.09Å; Q26-C112 HydrophobicContact CG-CB 4.08Å
27	T	93.6	Very high	89.2	Confident	112 Å²	112	94.9 Å²	94.9	69%	0.687	55%	0.55	S	S	*	*			trans	-94.1	-23.4	-176.9	52.1	0	0	0	0	112.9	T25 T29	T25-T27 HydrophobicContact CG2-CG2 4.31Å; T27-T29 PolarHBondContact O-N 2.9Å
28	Q	94.7	Very high	90.7	Very high	70 Å²	70	94.2 Å²	94.2	33%	0.327	54%	0.535	S	S	.	.			trans	-76.7	116	178.3	-64.5	165.9	-49.5	0	0	109.6	I31 T40 M41	Q28-I31 HydrophobicContact CB-CD1 4.24Å; Q28-I31 HydrophobicContact CB-CG1 4.33Å; Q28-I31 HydrophobicContact CG-CD1 4.45Å; Q28-T40 PolarHBondContact NE2-O 3.46Å; Q28-M41 VanDerWaalsContact OE1-CA 3.25Å
29	T	92.7	Very high	92.4	Very high	147 Å²	147	89.9 Å²	89.9	90%	0.902	51%	0.509	S	S	*	.			trans	-87.4	-31.3	-178.8	52.9	0	0	0	0	112.9	T27	T27-T29 PolarHBondContact O-N 2.9Å
30	S	96	Very high	93.9	Very high	97 Å²	97	87.3 Å²	87.3	68%	0.678	49%	0.489	S	S	*	.			trans	-155.9	144.8	177.8	-173.5	0	0	0	0	109.7
31	I	96.4	Very high	95.3	Very high	67 Å²	67	83.5 Å²	83.5	34%	0.344	47%	0.47	S	S	.	.			trans	-135	132.8	176	-53.9	177.5	0	0	0	107.3	Q28 V33 V39 M41	Q28-I31 HydrophobicContact CB-CD1 4.24Å; Q28-I31 HydrophobicContact CB-CG1 4.33Å; Q28-I31 HydrophobicContact CG-CD1 4.45Å; I31-V33 HydrophobicContact CG2-CG1 3.98Å; I31-V39 HydrophobicContact CD1-CG2 4.29Å; I31-V39 HydrophobicContact CG2-CG2 3.67Å; I31-M41 HydrophobicContact CD1-CG 3.62Å
32	S	96.6	Very high	96.2	Very high	116 Å²	116	83 Å²	83	81%	0.811	46%	0.457	S	S	*	.			trans	-120.2	125.9	173	-58.3	0	0	0	0	109
33	V	96	Very high	96.7	Very high	72 Å²	72	79.9 Å²	79.9	44%	0.436	44%	0.442	S	S	.	.			trans	-136.2	156	-179.1	-68.2	0	0	0	0	110.1	I31 V39 T102	I31-V33 HydrophobicContact CG2-CG1 3.98Å; V33-V39 HydrophobicContact CG1-CB 3.99Å; V33-V39 HydrophobicContact CG1-CG2 3.88Å; V33-V39 HydrophobicContact CG2-CB 4.21Å; V33-T102 HydrophobicContact CG2-CG2 4.28Å
34	M	96.8	Very high	96.9	Very high	149 Å²	149	77.9 Å²	77.9	73%	0.734	44%	0.439	S	S	*	.			trans	-77.4	152.4	171.8	-64.8	-62.1	-66	0	0	110	T37 T102	M34-T37 HydrophobicContact CB-CG2 3.91Å; M34-T37 WeakPolarHBondContact O-CB 3.06Å; M34-T37 WeakPolarHBondContact O-CG2 3.28Å; M34-T37 PolarHBondContact O-OG1 3.06Å; M34-T102 PolarHBondContact O-OG1 3.13Å
35	E	96.6	Very high	96.8	Very high	97 Å²	97	75.7 Å²	75.7	45%	0.453	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	155.1	168	-68.4	-166.1	135.5	0	0	111.5	T37 T102 I104	E35-T37 PolarHBondContact O-N 3.3Å; E35-T102 CarbonylContact C-O 3.48Å; E35-T102 WeakPolarHBondContact CA-O 3.37Å; E35-I104 HydrophobicContact CG-CG1 4.4Å; E35-I104 WeakPolarHBondContact OE1-CD1 3.27Å; E35-I104 WeakPolarHBondContact OE1-CG1 3.34Å; E35-I104 PolarHBondContact OE1-N 3.21Å; E35-I104 VanDerWaalsContact OE1-N 3.15Å
36	K	97.3	Very high	96.8	Very high	177 Å²	177	76.9 Å²	76.9	77%	0.77	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	15.9	179	-50.9	174.5	-175.7	174.9	0	113.6	T102	K36-T102 PolarHBondContact N-O 3.03Å; K36-T102 PolarHBondContact N-OG1 3.29Å
37	T	97.9	Very high	96.6	Very high	53 Å²	53	75.2 Å²	75.2	33%	0.325	42%	0.422	S	S	.	.	S	Bend	trans	-102.1	178.5	173.6	68.2	0	0	0	0	110.7	M34 E35 A101 T102	M34-T37 HydrophobicContact CB-CG2 3.91Å; M34-T37 WeakPolarHBondContact O-CB 3.06Å; M34-T37 WeakPolarHBondContact O-CG2 3.28Å; M34-T37 PolarHBondContact O-OG1 3.06Å; E35-T37 PolarHBondContact O-N 3.3Å; T37-A101 PolarHBondContact O-N 3.02Å; T37-A101 VanDerWaalsContact O-N 3.09Å; T37-T102 PolarHBondContact N-OG1 3.15Å; T37-T102 WeakPolarHBondContact O-CG2 3.2Å; T37-T102 PolarHBondContact O-N 3.32Å; T37-T102 PolarHBondContact O-OG1 3.03Å
38	T	98	Very high	96.5	Very high	86 Å²	86	78 Å²	78	53%	0.528	42%	0.42	S	S	.	.			trans	-108.5	132.9	173.6	-60.9	0	0	0	0	109	I98 I99 T100	T38-I98 HydrophobicContact CG2-CG2 3.72Å; T38-I99 WeakPolarHBondContact CA-O 3.4Å; T38-T100 HydrophobicContact CG2-CG2 4.27Å
39	V	97.9	Very high	96.3	Very high	16 Å²	16	77.2 Å²	77.2	10%	0.097	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	147.2	174.1	64.1	0	0	0	0	110	I31 V33 I98 I99 T102	I31-V39 HydrophobicContact CD1-CG2 4.29Å; I31-V39 HydrophobicContact CG2-CG2 3.67Å; V33-V39 HydrophobicContact CG1-CB 3.99Å; V33-V39 HydrophobicContact CG1-CG2 3.88Å; V33-V39 HydrophobicContact CG2-CB 4.21Å; V39-I98 WeakPolarHBondContact O-CA 3.34Å; V39-I99 HydrophobicContact CG1-CB 3.79Å; V39-I99 HydrophobicContact CG1-CD1 4.34Å; V39-I99 HydrophobicContact CG1-CG1 4.17Å; V39-I99 PolarHBondContact N-O 2.76Å; V39-I99 PolarHBondContact O-N 3.09Å; V39-T102 HydrophobicContact CB-CG2 4.44Å; V39-T102 HydrophobicContact CG1-CG2 3.73Å
40	T	97.8	Very high	96.3	Very high	53 Å²	53	75.3 Å²	75.3	33%	0.325	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.1	173.4	-56.1	0	0	0	0	109.8	Q28 L97 I98	Q28-T40 PolarHBondContact NE2-O 3.46Å; T40-L97 CarbonylContact C-O 3.54Å; T40-L97 VanDerWaalsContact CA-O 3.31Å; T40-L97 WeakPolarHBondContact CA-O 3.48Å; T40-I98 HydrophobicContact CG2-CG1 4.14Å
41	M	98.2	Very high	96.2	Very high	19 Å²	19	73.3 Å²	73.3	9%	0.094	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.1	172.5	-71	164.6	-78.6	0	0	109.5	Q28 I31 W56 G96 L97 I99 Y110	Q28-M41 VanDerWaalsContact OE1-CA 3.25Å; I31-M41 HydrophobicContact CD1-CG 3.62Å; M41-W56 HydrophobicContact CB-CH2 3.63Å; M41-W56 HydrophobicContact CB-CZ2 4.42Å; M41-W56 HydrophobicContact CB-CZ3 4Å; M41-W56 WeakPolarHBondContact O-CZ2 3.48Å; M41-G96 CarbonylContact O-C 3.57Å; M41-G96 WeakPolarHBondContact O-CA 3.37Å; M41-L97 HydrophobicContact CB-CB 4.48Å; M41-L97 HydrophobicContact CE-CB 4.35Å; M41-L97 HydrophobicContact CE-CD2 3.52Å; M41-L97 HydrophobicContact CE-CG 3.93Å; M41-L97 PolarHBondContact N-O 2.85Å; M41-L97 PolarHBondContact O-N 2.88Å; M41-I99 HydrophobicContact CE-CD1 3.53Å; M41-I99 HydrophobicContact CE-CG1 3.92Å; M41-Y110 HydrophobicContact CE-CD1 3.84Å; M41-Y110 HydrophobicContact CE-CD2 4.05Å; M41-Y110 HydrophobicContact CE-CE1 4.04Å; M41-Y110 HydrophobicContact CE-CE2 4.26Å; M41-Y110 HydrophobicContact CE-CG 3.84Å; M41-Y110 VanDerWaalsContact SD-CB 3.56Å; M41-Y110 HydrophobicContact SD-CD1 4.07Å; M41-Y110 HydrophobicContact SD-CD2 3.54Å; M41-Y110 VanDerWaalsContact SD-CD2 3.54Å; M41-Y110 HydrophobicContact SD-CE2 4.24Å; M41-Y110 HydrophobicContact SD-CG 3.45Å
42	D	98	Very high	96.3	Very high	68 Å²	68	70.5 Å²	70.5	36%	0.364	38%	0.382	S	S	.	.			trans	-92.1	138.7	-174.3	-64.1	-43.1	0	0	0	111.4
43	C	98.5	Very high	96.3	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.351	C	S	.	.			trans	-136.2	135.9	169.5	177.3	0	0	0	0	109.4	Q26 W56 S94 I95 C112	Q26-C43 HydrophobicContact CG-CB 4.29Å; C43-W56 HydrophobicContact CB-CH2 4.18Å; C43-W56 HydrophobicContact CB-CZ2 3.6Å; C43-S94 CarbonylContact O-C 3.53Å; C43-S94 WeakPolarHBondContact O-CA 3.5Å; C43-S94 PolarHBondContact O-OG 2.74Å; C43-I95 HydrophobicContact CB-CG2 3.99Å; C43-I95 WeakPolarHBondContact CB-O 3.02Å; C43-I95 PolarHBondContact O-N 2.96Å; C43-C112 HydrophobicContact CB-CB 3.52Å; C43-C112 WeakPolarHBondContact CB-SG 3.38Å; C43-C112 WeakPolarHBondContact SG-CB 3.31Å; C43-C112 CovalentContact SG-SG 2.04Å; C43-C112 PolarHBondContact SG-SG 3.01Å
44	V	98.2	Very high	96.4	Very high	67 Å²	67	63.3 Å²	63.3	41%	0.406	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140.4	170	178.2	0	0	0	0	108.2	V24 T25 S93	V24-V44 CarbonylContact C-O 3.48Å; V24-V44 WeakPolarHBondContact CA-O 3.39Å; T25-V44 PolarHBondContact N-O 3.24Å; T25-V44 PolarHBondContact O-N 3Å; V44-S93 CarbonylContact C-O 3.57Å; V44-S93 VanDerWaalsContact CA-O 3.31Å; V44-S93 WeakPolarHBondContact CA-O 3.32Å; V44-S93 WeakPolarHBondContact CG1-O 3.49Å
45	Y	96.9	Very high	96.5	Very high	3 Å²	3	57.6 Å²	57.6	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	157.1	178.1	67	-91.3	0	0	0	111.7	K23 T47 Y52 L54 F88 S93 I95 M114	K23-Y45 CarbonylContact O-C 3.51Å; K23-Y45 VanDerWaalsContact O-CA 3.23Å; K23-Y45 WeakPolarHBondContact O-CA 3.2Å; Y45-T47 HydrophobicContact CD2-CG2 3.88Å; Y45-T47 HydrophobicContact CE2-CG2 3.86Å; Y45-Y52 HydrophobicContact CD2-CE2 4.35Å; Y45-Y52 AromaticContact CE2-CE2 3.64Å; Y45-Y52 HydrophobicContact CE2-CE2 3.64Å; Y45-Y52 AromaticContact CE2-CZ 3.65Å; Y45-Y52 WeakPolarHBondContact CE2-OH 3.49Å; Y45-Y52 AromaticContact CZ-CE2 3.78Å; Y45-Y52 AromaticContact CZ-CZ 3.89Å; Y45-Y52 PolarHBondContact OH-OH 3.34Å; Y45-L54 HydrophobicContact CD1-CD1 3.71Å; Y45-L54 HydrophobicContact CD1-CD2 3.86Å; Y45-L54 HydrophobicContact CD1-CG 4.46Å; Y45-L54 HydrophobicContact CE1-CD1 3.48Å; Y45-L54 VanDerWaalsContact CE1-CD1 3.48Å; Y45-L54 HydrophobicContact CE1-CD2 4.45Å; Y45-L54 HydrophobicContact CG-CD1 4.4Å; Y45-L54 HydrophobicContact CG-CD2 3.91Å; Y45-F88 HydrophobicContact CE1-CE2 4.11Å; Y45-S93 VanDerWaalsContact CD1-C 3.45Å; Y45-S93 WeakPolarHBondContact CD1-O 3.42Å; Y45-S93 VanDerWaalsContact CE1-CA 3.49Å; Y45-S93 WeakPolarHBondContact CE1-O 3.34Å; Y45-S93 VanDerWaalsContact CZ-CA 3.46Å; Y45-S93 PolarHBondContact N-O 3.21Å; Y45-S93 WeakPolarHBondContact O-CB 3.44Å; Y45-I95 HydrophobicContact CD1-CG2 4.37Å; Y45-M114 HydrophobicContact CD2-SD 3.82Å; Y45-M114 HydrophobicContact CG-SD 4.16Å
46	E	96	Very high	96.6	Very high	74 Å²	74	53 Å²	53	35%	0.346	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	118.3	175.1	-62.9	175.2	-133.4	0	0	107.8	M20 Q22 K23 M114	M20-E46 WeakPolarHBondContact CE-OE2 3.16Å; Q22-E46 WeakPolarHBondContact CA-O 3.42Å; K23-E46 HydrophobicContact CB-CB 4.3Å; K23-E46 PolarHBondContact N-O 3.38Å; K23-E46 VanDerWaalsContact N-O 3.13Å; K23-E46 IonicContact NZ-OE1 3.93Å; K23-E46 PolarHBondContact O-N 3.16Å; E46-M114 WeakPolarHBondContact O-CE 3.39Å
47	T	93.9	Very high	96.7	Very high	37 Å²	37	47.8 Å²	47.8	23%	0.227	26%	0.256	C	S	.	.			trans	-148.1	154	176.2	-178.2	0	0	0	0	110.5	Q22 Y45 D49 Y52 M114	Q22-T47 PolarHBondContact NE2-OG1 3.49Å; Y45-T47 HydrophobicContact CD2-CG2 3.88Å; Y45-T47 HydrophobicContact CE2-CG2 3.86Å; T47-D49 PolarHBondContact OG1-N 3.48Å; T47-D49 PolarHBondContact OG1-OD2 3.02Å; T47-Y52 HydrophobicContact CG2-CD1 3.71Å; T47-Y52 HydrophobicContact CG2-CD2 4.49Å; T47-Y52 HydrophobicContact CG2-CE1 3.7Å; T47-Y52 HydrophobicContact CG2-CE2 4.48Å; T47-Y52 HydrophobicContact CG2-CG 4.14Å; T47-M114 HydrophobicContact CG2-SD 4.03Å
48	R	91.2	Very high	96.7	Very high	170 Å²	170	46.7 Å²	46.7	64%	0.642	25%	0.247	S	C	*	.			trans	-99.9	-8.4	169.2	-69.3	-176.7	173.5	166	0.5	112.2	T18 M20	T18-R48 PolarHBondContact O-NH1 2.76Å; T18-R48 PolarHBondContact O-NH2 2.95Å; M20-R48 VanDerWaalsContact CG-NH2 3.27Å
49	D	92.4	Very high	96.7	Very high	54 Å²	54	45.7 Å²	45.7	29%	0.289	24%	0.236	S	C	.	.			trans	-76.5	141.7	-174.4	-51.8	-55.2	0	0	0	111	Q22 T47 Y52 E116	Q22-D49 PolarHBondContact NE2-OD2 3.22Å; T47-D49 PolarHBondContact OG1-N 3.48Å; T47-D49 PolarHBondContact OG1-OD2 3.02Å; D49-Y52 HydrophobicContact CB-CD1 4.42Å; D49-Y52 VanDerWaalsContact O-CD1 3.25Å; D49-Y52 WeakPolarHBondContact O-CD1 3.3Å; D49-Y52 VanDerWaalsContact O-CE1 3.3Å; D49-Y52 WeakPolarHBondContact O-CE1 3.27Å; D49-E116 HydrophobicContact CB-CG 4.48Å; D49-E116 WeakPolarHBondContact OD2-CG 3.37Å
50	S	91.7	Very high	96.6	Very high	107 Å²	107	46.7 Å²	46.7	75%	0.748	24%	0.242	S	C	*	.	S	Bend	trans	-77.6	-28.6	175.5	58.7	0	0	0	0	112
51	S	95	Very high	96.4	Very high	55 Å²	55	49.5 Å²	49.5	39%	0.385	27%	0.27	S	S	.	.	S	Bend	trans	-122.9	120.1	178.7	-178.7	0	0	0	0	109.9	S73	S51-S73 WeakPolarHBondContact CA-OG 3.33Å
52	Y	96.6	Very high	96.3	Very high	7 Å²	7	53.4 Å²	53.4	3%	0.027	30%	0.3	C	S	.	.			trans	-153.6	169.6	176.3	52.8	-88.2	0	0	0	109.7	Y45 T47 D49 L54 S73 K90 M114 R115	Y45-Y52 HydrophobicContact CD2-CE2 4.35Å; Y45-Y52 AromaticContact CE2-CE2 3.64Å; Y45-Y52 HydrophobicContact CE2-CE2 3.64Å; Y45-Y52 AromaticContact CE2-CZ 3.65Å; Y45-Y52 WeakPolarHBondContact CE2-OH 3.49Å; Y45-Y52 AromaticContact CZ-CE2 3.78Å; Y45-Y52 AromaticContact CZ-CZ 3.89Å; Y45-Y52 PolarHBondContact OH-OH 3.34Å; T47-Y52 HydrophobicContact CG2-CD1 3.71Å; T47-Y52 HydrophobicContact CG2-CD2 4.49Å; T47-Y52 HydrophobicContact CG2-CE1 3.7Å; T47-Y52 HydrophobicContact CG2-CE2 4.48Å; T47-Y52 HydrophobicContact CG2-CG 4.14Å; D49-Y52 HydrophobicContact CB-CD1 4.42Å; D49-Y52 VanDerWaalsContact O-CD1 3.25Å; D49-Y52 WeakPolarHBondContact O-CD1 3.3Å; D49-Y52 VanDerWaalsContact O-CE1 3.3Å; D49-Y52 WeakPolarHBondContact O-CE1 3.27Å; Y52-L54 HydrophobicContact CD2-CD1 4.31Å; Y52-L54 HydrophobicContact CD2-CG 4.1Å; Y52-L54 HydrophobicContact CE2-CD1 3.88Å; Y52-L54 HydrophobicContact CE2-CG 4.18Å; Y52-S73 PolarHBondContact N-OG 3Å; Y52-S73 WeakPolarHBondContact O-CB 3.41Å; Y52-S73 PolarHBondContact O-N 3.11Å; Y52-S73 PolarHBondContact O-OG 3.43Å; Y52-K90 WeakPolarHBondContact OH-CE 3.41Å; Y52-M114 HydrophobicContact CD2-CG 4.5Å; Y52-M114 HydrophobicContact CD2-SD 4.33Å; Y52-R115 CarbonylContact C-O 3.59Å; Y52-R115 VanDerWaalsContact CA-O 3.32Å; Y52-R115 WeakPolarHBondContact CA-O 3.27Å; Y52-R115 WeakPolarHBondContact CB-O 3.15Å
53	F	97.9	Very high	96.2	Very high	38 Å²	38	51.9 Å²	51.9	17%	0.167	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137.9	178.2	-51.8	-67	0	0	0	109.5	F55 R70 D72 Y74 M114 R115	F53-F55 HydrophobicContact CB-CD2 4.41Å; F53-F55 HydrophobicContact CB-CE2 3.4Å; F53-F55 HydrophobicContact CB-CZ 3.45Å; F53-F55 VanDerWaalsContact CB-CZ 3.45Å; F53-F55 HydrophobicContact CG-CZ 4.31Å; F53-R70 VanDerWaalsContact CD1-CZ 3.5Å; F53-D72 HydrophobicContact CD1-CB 4.46Å; F53-D72 VanDerWaalsContact CD1-OD1 3.27Å; F53-D72 WeakPolarHBondContact CD1-OD1 3.49Å; F53-Y74 HydrophobicContact CE1-CE1 4.13Å; F53-M114 CarbonylContact O-C 3.56Å; F53-M114 VanDerWaalsContact O-CA 3.32Å; F53-M114 WeakPolarHBondContact O-CA 3.12Å; F53-R115 PolarHBondContact N-O 2.67Å; F53-R115 PolarHBondContact O-N 2.7Å
54	L	98.3	Very high	96.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	141	175.4	-65.8	160.9	0	0	0	109	Y45 Y52 R70 Q71 F88 I95 A113 M114	Y45-L54 HydrophobicContact CD1-CD1 3.71Å; Y45-L54 HydrophobicContact CD1-CD2 3.86Å; Y45-L54 HydrophobicContact CD1-CG 4.46Å; Y45-L54 HydrophobicContact CE1-CD1 3.48Å; Y45-L54 VanDerWaalsContact CE1-CD1 3.48Å; Y45-L54 HydrophobicContact CE1-CD2 4.45Å; Y45-L54 HydrophobicContact CG-CD1 4.4Å; Y45-L54 HydrophobicContact CG-CD2 3.91Å; Y52-L54 HydrophobicContact CD2-CD1 4.31Å; Y52-L54 HydrophobicContact CD2-CG 4.1Å; Y52-L54 HydrophobicContact CE2-CD1 3.88Å; Y52-L54 HydrophobicContact CE2-CG 4.18Å; L54-R70 CarbonylContact O-C 3.44Å; L54-R70 VanDerWaalsContact O-CA 3.27Å; L54-R70 WeakPolarHBondContact O-CA 3.43Å; L54-Q71 HydrophobicContact CB-CB 4.37Å; L54-Q71 PolarHBondContact N-O 2.76Å; L54-Q71 PolarHBondContact O-N 3.22Å; L54-F88 HydrophobicContact CD1-CD2 4.09Å; L54-F88 HydrophobicContact CD1-CE2 3.72Å; L54-I95 HydrophobicContact CB-CD1 3.48Å; L54-I95 VanDerWaalsContact CB-CD1 3.48Å; L54-I95 HydrophobicContact CB-CG2 4.39Å; L54-I95 HydrophobicContact CD1-CB 4.12Å; L54-I95 HydrophobicContact CD1-CD1 3.69Å; L54-I95 HydrophobicContact CD1-CG2 4.03Å; L54-I95 HydrophobicContact CD2-CG2 4.32Å; L54-I95 HydrophobicContact CG-CD1 4.21Å; L54-I95 HydrophobicContact CG-CG2 4.48Å; L54-A113 WeakPolarHBondContact CA-O 3.46Å; L54-M114 HydrophobicContact CD2-CB 3.81Å; L54-M114 HydrophobicContact CD2-CG 3.69Å; L54-M114 HydrophobicContact CD2-SD 4.01Å
55	F	98.5	Very high	96.1	Very high	28 Å²	28	59 Å²	59	12%	0.123	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147.6	-172.7	-53.5	-99.9	0	0	0	110.2	F53 Y57 F67 I69 R70 C112 A113 R115	F53-F55 HydrophobicContact CB-CD2 4.41Å; F53-F55 HydrophobicContact CB-CE2 3.4Å; F53-F55 HydrophobicContact CB-CZ 3.45Å; F53-F55 VanDerWaalsContact CB-CZ 3.45Å; F53-F55 HydrophobicContact CG-CZ 4.31Å; F55-Y57 HydrophobicContact CB-CD2 4.09Å; F55-Y57 HydrophobicContact CB-CE2 3.53Å; F55-Y57 HydrophobicContact CG-CE2 4.19Å; F55-F67 HydrophobicContact CD1-CD2 4.3Å; F55-F67 AromaticContact CD1-CE2 3.83Å; F55-F67 HydrophobicContact CD1-CE2 3.83Å; F55-I69 WeakPolarHBondContact CA-O 3.4Å; F55-R70 HydrophobicContact CD1-CB 4.02Å; F55-R70 HydrophobicContact CD1-CG 4.12Å; F55-R70 HydrophobicContact CE1-CB 4.15Å; F55-R70 HydrophobicContact CE1-CG 3.85Å; F55-R70 HydrophobicContact CZ-CG 4.35Å; F55-C112 WeakPolarHBondContact O-CA 3.25Å; F55-A113 HydrophobicContact CB-CB 4.38Å; F55-A113 PolarHBondContact N-O 2.78Å; F55-A113 PolarHBondContact O-N 2.85Å; F55-R115 HydrophobicContact CE2-CB 3.78Å; F55-R115 HydrophobicContact CZ-CB 4.47Å
56	W	98.7	Very high	96.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.8	162.3	-79.6	87.8	0	0	0	110.2	M41 C43 L68 I69 L86 I95 L97 F111 C112	M41-W56 HydrophobicContact CB-CH2 3.63Å; M41-W56 HydrophobicContact CB-CZ2 4.42Å; M41-W56 HydrophobicContact CB-CZ3 4Å; M41-W56 WeakPolarHBondContact O-CZ2 3.48Å; C43-W56 HydrophobicContact CB-CH2 4.18Å; C43-W56 HydrophobicContact CB-CZ2 3.6Å; W56-L68 WeakPolarHBondContact O-CB 3.41Å; W56-L68 PolarHBondContact O-N 2.86Å; W56-I69 HydrophobicContact CB-CG2 4.01Å; W56-I69 PolarHBondContact N-O 3.02Å; W56-I69 PolarHBondContact O-N 2.92Å; W56-L86 VanDerWaalsContact CD1-CD2 3.42Å; W56-L86 HydrophobicContact CG-CD2 4.3Å; W56-I95 WeakPolarHBondContact CZ2-O 3.23Å; W56-I95 PolarHBondContact NE1-O 2.84Å; W56-L97 HydrophobicContact CB-CD1 4.43Å; W56-L97 HydrophobicContact CB-CD2 4.06Å; W56-L97 HydrophobicContact CD2-CB 3.48Å; W56-L97 VanDerWaalsContact CD2-CB 3.48Å; W56-L97 HydrophobicContact CD2-CD2 3.81Å; W56-L97 HydrophobicContact CD2-CG 4.2Å; W56-L97 VanDerWaalsContact CE2-CB 3.43Å; W56-L97 HydrophobicContact CE3-CB 3.91Å; W56-L97 HydrophobicContact CE3-CD2 3.66Å; W56-L97 HydrophobicContact CE3-CG 4.43Å; W56-L97 HydrophobicContact CG-CB 3.83Å; W56-L97 HydrophobicContact CG-CD1 4.37Å; W56-L97 HydrophobicContact CG-CD2 4.01Å; W56-L97 HydrophobicContact CG-CG 4.3Å; W56-L97 HydrophobicContact CH2-CB 4.19Å; W56-L97 HydrophobicContact CZ2-CB 3.8Å; W56-L97 HydrophobicContact CZ3-CB 4.25Å; W56-L97 HydrophobicContact CZ3-CD2 4.34Å; W56-F111 WeakPolarHBondContact CA-O 3.3Å; W56-C112 HydrophobicContact CD2-CB 4.36Å; W56-C112 HydrophobicContact CE3-CB 4.45Å; W56-C112 HydrophobicContact CH2-CB 4.18Å; W56-C112 HydrophobicContact CZ2-CB 4.06Å; W56-C112 HydrophobicContact CZ3-CB 4.36Å
57	Y	98.5	Very high	96.3	Very high	69 Å²	69	62.3 Å²	62.3	27%	0.271	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	155.1	174.4	-69	-95.9	0	0	0	109.3	F55 I65 V66 F67 Y110 F111 A113	F55-Y57 HydrophobicContact CB-CD2 4.09Å; F55-Y57 HydrophobicContact CB-CE2 3.53Å; F55-Y57 HydrophobicContact CG-CE2 4.19Å; Y57-I65 HydrophobicContact CD1-CG2 3.59Å; Y57-I65 HydrophobicContact CE1-CG2 4.37Å; Y57-I65 HydrophobicContact CG-CG2 4.06Å; Y57-V66 CarbonylContact C-O 3.58Å; Y57-V66 VanDerWaalsContact CA-O 3.25Å; Y57-V66 WeakPolarHBondContact CA-O 3.47Å; Y57-F67 VanDerWaalsContact CD1-CA 3.47Å; Y57-F67 HydrophobicContact CD1-CB 4.05Å; Y57-F67 HydrophobicContact CE1-CB 3.67Å; Y57-F67 HydrophobicContact CE1-CD2 4.16Å; Y57-F67 HydrophobicContact CE1-CG 4.42Å; Y57-Y110 WeakPolarHBondContact O-CA 3.15Å; Y57-F111 PolarHBondContact N-O 2.92Å; Y57-F111 PolarHBondContact O-N 2.83Å; Y57-A113 HydrophobicContact CE2-CB 4.41Å
58	K	97.7	Very high	96.5	Very high	30 Å²	30	61.1 Å²	61.1	13%	0.13	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	142.9	161.6	68.3	179	179.2	179.3	0	110.9	V66 L68 Y84 E105 A108 V109 Y110	K58-V66 HydrophobicContact CG-CB 4.07Å; K58-V66 PolarHBondContact N-O 3.39Å; K58-V66 PolarHBondContact O-N 3.44Å; K58-L68 HydrophobicContact CB-CD1 4.1Å; K58-L68 HydrophobicContact CB-CD2 4.44Å; K58-L68 HydrophobicContact CB-CG 4.45Å; K58-L68 HydrophobicContact CD-CD2 3.9Å; K58-L68 HydrophobicContact CG-CD1 4.4Å; K58-L68 HydrophobicContact CG-CD2 3.82Å; K58-L68 HydrophobicContact CG-CG 4.31Å; K58-Y84 PolarHBondContact NZ-OH 3.19Å; K58-E105 PolarHBondContact NZ-O 3.02Å; K58-A108 HydrophobicContact CB-CB 3.99Å; K58-A108 HydrophobicContact CD-CB 4.32Å; K58-V109 CarbonylContact C-O 3.56Å; K58-V109 WeakPolarHBondContact CA-O 3.39Å; K58-Y110 HydrophobicContact CB-CD1 4.01Å; K58-Y110 HydrophobicContact CB-CE1 3.86Å
59	Q	98.2	Very high	96.8	Very high	64 Å²	64	53.3 Å²	53.3	30%	0.299	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115.2	164.7	-175.7	172.8	36.3	0	0	108.9	G63 E64 I65 A108 V109 F111	Q59-G63 PolarHBondContact NE2-O 3.13Å; Q59-E64 CarbonylContact C-O 3.57Å; Q59-E64 VanDerWaalsContact CA-O 3.27Å; Q59-E64 WeakPolarHBondContact CA-O 3.29Å; Q59-I65 HydrophobicContact CB-CD1 3.59Å; Q59-I65 HydrophobicContact CG-CD1 3.73Å; Q59-A108 VanDerWaalsContact O-CB 3.3Å; Q59-A108 WeakPolarHBondContact O-CB 3.4Å; Q59-V109 HydrophobicContact CB-CB 4.29Å; Q59-V109 PolarHBondContact N-O 3Å; Q59-V109 PolarHBondContact O-N 2.84Å; Q59-F111 HydrophobicContact CB-CD2 4.39Å; Q59-F111 HydrophobicContact CB-CE2 3.78Å
60	T	95.6	Very high	97.1	Very high	38 Å²	38	55.4 Å²	55.4	23%	0.233	32%	0.315	C	S	.	.			trans	-69.8	169.2	178.1	66.4	0	0	0	0	111	S62 G63 E64 V66	T60-S62 PolarHBondContact O-N 2.82Å; T60-S62 VanDerWaalsContact O-N 3.15Å; T60-S62 PolarHBondContact OG1-N 2.79Å; T60-S62 PolarHBondContact OG1-OG 3.41Å; T60-G63 PolarHBondContact O-N 3.37Å; T60-E64 PolarHBondContact N-O 2.79Å; T60-E64 WeakPolarHBondContact OG1-CB 3.19Å; T60-E64 PolarHBondContact OG1-N 2.9Å; T60-V66 HydrophobicContact CG2-CG2 3.94Å
61	A	94	Very high	97.4	Very high	111 Å²	111	50.4 Å²	50.4	92%	0.917	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.3	175	0	0	0	0	0	113.6	G63	A61-G63 VanDerWaalsContact C-N 3.26Å
62	S	95.7	Very high	97.6	Very high	101 Å²	101	48 Å²	48	71%	0.706	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-4.4	174	60.8	0	0	0	0	113.5	T60	T60-S62 PolarHBondContact O-N 2.82Å; T60-S62 VanDerWaalsContact O-N 3.15Å; T60-S62 PolarHBondContact OG1-N 2.79Å; T60-S62 PolarHBondContact OG1-OG 3.41Å
63	G	96.3	Very high	97.6	Very high	37 Å²	37	47.8 Å²	47.8	38%	0.381	26%	0.263	S	S	.	.			trans	88.1	-0.9	-178.3	0	0	0	0	0	114.5	Q59 T60 A61	Q59-G63 PolarHBondContact NE2-O 3.13Å; T60-G63 PolarHBondContact O-N 3.37Å; A61-G63 VanDerWaalsContact C-N 3.26Å
64	E	97.5	Very high	97.5	Very high	123 Å²	123	52.8 Å²	52.8	58%	0.575	28%	0.281	S	S	*	.			trans	-67.3	132.5	177.3	-175.5	-176	-174	0	0	111.1	Q59 T60 V66	Q59-E64 CarbonylContact C-O 3.57Å; Q59-E64 VanDerWaalsContact CA-O 3.27Å; Q59-E64 WeakPolarHBondContact CA-O 3.29Å; T60-E64 PolarHBondContact N-O 2.79Å; T60-E64 WeakPolarHBondContact OG1-CB 3.19Å; T60-E64 PolarHBondContact OG1-N 2.9Å; E64-V66 HydrophobicContact CG-CG2 3.96Å
65	I	98	Very high	97.5	Very high	93 Å²	93	57.5 Å²	57.5	48%	0.477	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	113.1	174	-57.1	-59.7	0	0	0	109.3	Y57 Q59 F111	Y57-I65 HydrophobicContact CD1-CG2 3.59Å; Y57-I65 HydrophobicContact CE1-CG2 4.37Å; Y57-I65 HydrophobicContact CG-CG2 4.06Å; Q59-I65 HydrophobicContact CB-CD1 3.59Å; Q59-I65 HydrophobicContact CG-CD1 3.73Å; I65-F111 HydrophobicContact CD1-CE2 4.36Å
66	V	97.8	Very high	97.3	Very high	43 Å²	43	65.4 Å²	65.4	26%	0.261	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.1	-177.2	-178.5	0	0	0	0	109.7	Y57 K58 T60 E64	Y57-V66 CarbonylContact C-O 3.58Å; Y57-V66 VanDerWaalsContact CA-O 3.25Å; Y57-V66 WeakPolarHBondContact CA-O 3.47Å; K58-V66 HydrophobicContact CG-CB 4.07Å; K58-V66 PolarHBondContact N-O 3.39Å; K58-V66 PolarHBondContact O-N 3.44Å; T60-V66 HydrophobicContact CG2-CG2 3.94Å; E64-V66 HydrophobicContact CG-CG2 3.96Å
67	F	98.2	Very high	97.2	Very high	103 Å²	103	72 Å²	72	45%	0.452	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	133.7	171.4	168.7	-104.6	0	0	0	110.3	F55 Y57 I69 R70	F55-F67 HydrophobicContact CD1-CD2 4.3Å; F55-F67 AromaticContact CD1-CE2 3.83Å; F55-F67 HydrophobicContact CD1-CE2 3.83Å; Y57-F67 VanDerWaalsContact CD1-CA 3.47Å; Y57-F67 HydrophobicContact CD1-CB 4.05Å; Y57-F67 HydrophobicContact CE1-CB 3.67Å; Y57-F67 HydrophobicContact CE1-CD2 4.16Å; Y57-F67 HydrophobicContact CE1-CG 4.42Å; F67-I69 WeakPolarHBondContact CE2-O 3.34Å; F67-I69 VanDerWaalsContact CZ-C 3.47Å; F67-R70 HydrophobicContact CE2-CB 3.95Å; F67-R70 HydrophobicContact CZ-CB 3.84Å
68	L	98.2	Very high	97.2	Very high	12 Å²	12	72 Å²	72	6%	0.063	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-59.1	177.3	-59.7	179.3	0	0	0	111.6	W56 K58 Y84 L97 Y110	W56-L68 WeakPolarHBondContact O-CB 3.41Å; W56-L68 PolarHBondContact O-N 2.86Å; K58-L68 HydrophobicContact CB-CD1 4.1Å; K58-L68 HydrophobicContact CB-CD2 4.44Å; K58-L68 HydrophobicContact CB-CG 4.45Å; K58-L68 HydrophobicContact CD-CD2 3.9Å; K58-L68 HydrophobicContact CG-CD1 4.4Å; K58-L68 HydrophobicContact CG-CD2 3.82Å; K58-L68 HydrophobicContact CG-CG 4.31Å; L68-Y84 HydrophobicContact CD1-CD1 4.28Å; L68-Y84 HydrophobicContact CD1-CE1 3.98Å; L68-Y84 HydrophobicContact CD2-CE1 4.17Å; L68-Y84 HydrophobicContact CD2-CE2 3.98Å; L68-L97 HydrophobicContact CD1-CD2 4Å; L68-Y110 HydrophobicContact CD1-CD1 3.77Å; L68-Y110 HydrophobicContact CD1-CE1 3.58Å
69	I	98.7	Very high	97.3	Very high	6 Å²	6	71.7 Å²	71.7	3%	0.031	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	151.3	-167	-166.7	162.5	0	0	0	111.5	F55 W56 F67 A79 E81 L86 L97	F55-I69 WeakPolarHBondContact CA-O 3.4Å; W56-I69 HydrophobicContact CB-CG2 4.01Å; W56-I69 PolarHBondContact N-O 3.02Å; W56-I69 PolarHBondContact O-N 2.92Å; F67-I69 WeakPolarHBondContact CE2-O 3.34Å; F67-I69 VanDerWaalsContact CZ-C 3.47Å; I69-A79 HydrophobicContact CD1-CB 3.86Å; I69-A79 WeakPolarHBondContact CD1-O 3.38Å; I69-A79 HydrophobicContact CG1-CB 3.82Å; I69-E81 HydrophobicContact CD1-CB 3.88Å; I69-E81 HydrophobicContact CG1-CB 4.22Å; I69-L86 HydrophobicContact CD1-CD1 4.4Å; I69-L86 HydrophobicContact CD1-CG 4.11Å; I69-L86 HydrophobicContact CG1-CD1 4.04Å; I69-L86 HydrophobicContact CG1-CG 4.25Å; I69-L86 HydrophobicContact CG2-CD1 3.92Å; I69-L86 HydrophobicContact CG2-CD2 3.63Å; I69-L86 HydrophobicContact CG2-CG 3.89Å; I69-L97 HydrophobicContact CG2-CD1 4.05Å
70	R	98.4	Very high	97.3	Very high	98 Å²	98	73.5 Å²	73.5	37%	0.37	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.5	-179.3	170.6	-177	155.2	-168	-10.4	110.8	F53 L54 F55 F67 D72 A79	F53-R70 VanDerWaalsContact CD1-CZ 3.5Å; L54-R70 CarbonylContact O-C 3.44Å; L54-R70 VanDerWaalsContact O-CA 3.27Å; L54-R70 WeakPolarHBondContact O-CA 3.43Å; F55-R70 HydrophobicContact CD1-CB 4.02Å; F55-R70 HydrophobicContact CD1-CG 4.12Å; F55-R70 HydrophobicContact CE1-CB 4.15Å; F55-R70 HydrophobicContact CE1-CG 3.85Å; F55-R70 HydrophobicContact CZ-CG 4.35Å; F67-R70 HydrophobicContact CE2-CB 3.95Å; F67-R70 HydrophobicContact CZ-CB 3.84Å; R70-D72 IonicContact CZ-OD1 3.06Å; R70-D72 IonicContact NE-OD1 2.67Å; R70-D72 PolarHBondContact NE-OD1 2.89Å; R70-D72 IonicContact NH2-OD1 2.7Å; R70-D72 PolarHBondContact NH2-OD1 2.9Å; R70-D72 IonicContact NH2-OD2 3.58Å; R70-A79 WeakPolarHBondContact O-CB 3.38Å
71	Q	98.5	Very high	97.4	Very high	2 Å²	2	77.6 Å²	77.6	1%	0.009	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.8	166.2	-175.6	67.3	44.1	0	0	110.6	L54 K75 E77 L86 F88 I95	L54-Q71 HydrophobicContact CB-CB 4.37Å; L54-Q71 PolarHBondContact N-O 2.76Å; L54-Q71 PolarHBondContact O-N 3.22Å; Q71-K75 PolarHBondContact NE2-O 2.98Å; Q71-E77 PolarHBondContact NE2-O 3.28Å; Q71-L86 HydrophobicContact CB-CD1 3.73Å; Q71-F88 HydrophobicContact CG-CB 3.82Å; Q71-F88 HydrophobicContact CG-CD1 3.52Å; Q71-F88 HydrophobicContact CG-CD2 3.99Å; Q71-F88 HydrophobicContact CG-CE1 3.99Å; Q71-F88 HydrophobicContact CG-CE2 4.42Å; Q71-F88 HydrophobicContact CG-CG 3.51Å; Q71-F88 HydrophobicContact CG-CZ 4.42Å; Q71-I95 HydrophobicContact CB-CD1 3.52Å; Q71-I95 HydrophobicContact CG-CD1 4.12Å
72	D	97.9	Very high	97.5	Very high	4 Å²	4	76.2 Å²	76.2	2%	0.021	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131.6	170.4	-58.2	-24.6	0	0	0	109.6	F53 R70 Y74 K75	F53-D72 HydrophobicContact CD1-CB 4.46Å; F53-D72 VanDerWaalsContact CD1-OD1 3.27Å; F53-D72 WeakPolarHBondContact CD1-OD1 3.49Å; R70-D72 IonicContact CZ-OD1 3.06Å; R70-D72 IonicContact NE-OD1 2.67Å; R70-D72 PolarHBondContact NE-OD1 2.89Å; R70-D72 IonicContact NH2-OD1 2.7Å; R70-D72 PolarHBondContact NH2-OD1 2.9Å; R70-D72 IonicContact NH2-OD2 3.58Å; D72-Y74 HydrophobicContact CB-CD1 4.07Å; D72-Y74 HydrophobicContact CB-CD2 4.18Å; D72-Y74 HydrophobicContact CB-CE1 3.72Å; D72-Y74 HydrophobicContact CB-CE2 3.8Å; D72-Y74 HydrophobicContact CB-CG 4.3Å; D72-Y74 PolarHBondContact O-N 2.04Å; D72-Y74 VanDerWaalsContact O-N 3.09Å; D72-Y74 PolarHBondContact OD2-OH 2.92Å; D72-K75 HydrophobicContact CB-CB 4.25Å; D72-K75 HydrophobicContact CB-CD 3.92Å; D72-K75 HydrophobicContact CB-CG 3.94Å; D72-K75 PolarHBondContact O-N 3.21Å; D72-K75 WeakPolarHBondContact OD2-CD 3.31Å; D72-K75 WeakPolarHBondContact OD2-CE 3.01Å; D72-K75 IonicContact OD2-NZ 2.78Å; D72-K75 PolarHBondContact OD2-NZ 2.8Å
73	S	97.3	Very high	97.5	Very high	4 Å²	4	73.2 Å²	73.2	3%	0.028	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-21.9	178.3	57.4	0	0	0	0	115.1	S51 Y52 K90	S51-S73 WeakPolarHBondContact CA-OG 3.33Å; Y52-S73 PolarHBondContact N-OG 3Å; Y52-S73 WeakPolarHBondContact O-CB 3.41Å; Y52-S73 PolarHBondContact O-N 3.11Å; Y52-S73 PolarHBondContact O-OG 3.43Å; S73-K90 PolarHBondContact O-NZ 3.13Å
74	Y	96	Very high	97.6	Very high	142 Å²	142	72.9 Å²	72.9	56%	0.557	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-12.2	177.8	57.1	-102.4	0	0	0	113.5	F53 D72	F53-Y74 HydrophobicContact CE1-CE1 4.13Å; D72-Y74 HydrophobicContact CB-CD1 4.07Å; D72-Y74 HydrophobicContact CB-CD2 4.18Å; D72-Y74 HydrophobicContact CB-CE1 3.72Å; D72-Y74 HydrophobicContact CB-CE2 3.8Å; D72-Y74 HydrophobicContact CB-CG 4.3Å; D72-Y74 PolarHBondContact O-N 2.04Å; D72-Y74 VanDerWaalsContact O-N 3.09Å; D72-Y74 PolarHBondContact OD2-OH 2.92Å
75	K	97.2	Very high	97.7	Very high	100 Å²	100	68.3 Å²	68.3	44%	0.435	35%	0.347	S	S	.	.			trans	-83.6	133.6	175.9	-75.8	177.9	177.3	156.4	0	110.1	Q71 D72	Q71-K75 PolarHBondContact NE2-O 2.98Å; D72-K75 HydrophobicContact CB-CB 4.25Å; D72-K75 HydrophobicContact CB-CD 3.92Å; D72-K75 HydrophobicContact CB-CG 3.94Å; D72-K75 PolarHBondContact O-N 3.21Å; D72-K75 WeakPolarHBondContact OD2-CD 3.31Å; D72-K75 WeakPolarHBondContact OD2-CE 3.01Å; D72-K75 IonicContact OD2-NZ 2.78Å; D72-K75 PolarHBondContact OD2-NZ 2.8Å
76	K	94.7	Very high	97.7	Very high	193 Å²	193	64 Å²	64	84%	0.839	33%	0.325	S	S	*	.			trans	-84.5	-35.1	176	-69.6	-176.3	-179.9	178.2	0	111.2
77	E	97.7	Very high	97.7	Very high	139 Å²	139	64.5 Å²	64.5	65%	0.65	33%	0.326	S	S	*	.	S	Bend	trans	-72.2	140.1	177.5	-56.2	76.5	-165.3	0	0	109.9	Q71	Q71-E77 PolarHBondContact NE2-O 3.28Å
78	N	98.3	Very high	97.7	Very high	68 Å²	68	60.6 Å²	60.6	36%	0.364	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-68	133.2	170.7	-76.9	-21.2	0	0	0	109.8	L86 F88	N78-L86 WeakPolarHBondContact CB-O 3.5Å; N78-L86 PolarHBondContact ND2-O 2.9Å; N78-L86 PolarHBondContact OD1-O 2.84Å; N78-F88 WeakPolarHBondContact OD1-CB 2.97Å; N78-F88 PolarHBondContact OD1-N 3.18Å
79	A	98.5	Very high	97.7	Very high	24 Å²	24	62.8 Å²	62.8	20%	0.198	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-64.4	142.3	171.6	0	0	0	0	0	110.8	I69 R70 S85 L86	I69-A79 HydrophobicContact CD1-CB 3.86Å; I69-A79 WeakPolarHBondContact CD1-O 3.38Å; I69-A79 HydrophobicContact CG1-CB 3.82Å; R70-A79 WeakPolarHBondContact O-CB 3.38Å; A79-S85 WeakPolarHBondContact O-CA 3.36Å; A79-L86 HydrophobicContact CB-CD1 4.03Å; A79-L86 HydrophobicContact CB-CG 4.49Å; A79-L86 PolarHBondContact O-N 2.96Å
80	T	98.3	Very high	97.5	Very high	102 Å²	102	66.6 Å²	66.6	63%	0.626	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.3	174.5	57.8	0	0	0	0	109.2	Y84	T80-Y84 WeakPolarHBondContact CA-O 3.05Å
81	E	97.6	Very high	97.4	Very high	125 Å²	125	68.2 Å²	68.2	58%	0.584	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.8	112.9	177.3	-176.6	61.9	-145.6	0	0	108.5	I69 H83 Y84	I69-E81 HydrophobicContact CD1-CB 3.88Å; I69-E81 HydrophobicContact CG1-CB 4.22Å; E81-H83 PolarHBondContact O-N 3.14Å; E81-Y84 PolarHBondContact N-O 2.86Å; E81-Y84 WeakPolarHBondContact O-CA 3.41Å; E81-Y84 WeakPolarHBondContact O-CB 3.25Å; E81-Y84 WeakPolarHBondContact O-CD2 3.45Å; E81-Y84 PolarHBondContact O-N 2.85Å
82	G	96.2	Very high	97.3	Very high	81 Å²	81	75.1 Å²	75.1	84%	0.835	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	-124	-173.9	0	0	0	0	0	112.2	Y84	G82-Y84 VanDerWaalsContact C-N 3.34Å
83	H	96.8	Very high	97.3	Very high	39 Å²	39	77.1 Å²	77.1	18%	0.181	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1.3	176.7	64.1	-163	0	0	0	114.7	E81 T100 D106	E81-H83 PolarHBondContact O-N 3.14Å; H83-T100 WeakPolarHBondContact CB-O 3.35Å; H83-T100 PolarHBondContact O-N 2.75Å; H83-T100 PolarHBondContact O-OG1 2.9Å; H83-D106 IonicContact CE1-OD1 3.69Å; H83-D106 PolarHBondContact CE1-OD1 2.95Å; H83-D106 IonicContact CE1-OD2 3.02Å; H83-D106 PolarHBondContact CE1-OD2 3.19Å; H83-D106 VanDerWaalsContact CE1-OD2 3.24Å; H83-D106 IonicContact NE2-OD1 3.24Å; H83-D106 PolarHBondContact NE2-OD1 3.19Å; H83-D106 IonicContact NE2-OD2 3.16Å
84	Y	98.3	Very high	97.3	Very high	30 Å²	30	77.9 Å²	77.9	12%	0.118	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	136.5	176.5	-52.3	-76.1	0	0	0	109.9	K58 L68 T80 E81 G82 L97 I98 I99 D106	K58-Y84 PolarHBondContact NZ-OH 3.19Å; L68-Y84 HydrophobicContact CD1-CD1 4.28Å; L68-Y84 HydrophobicContact CD1-CE1 3.98Å; L68-Y84 HydrophobicContact CD2-CE1 4.17Å; L68-Y84 HydrophobicContact CD2-CE2 3.98Å; T80-Y84 WeakPolarHBondContact CA-O 3.05Å; E81-Y84 PolarHBondContact N-O 2.86Å; E81-Y84 WeakPolarHBondContact O-CA 3.41Å; E81-Y84 WeakPolarHBondContact O-CB 3.25Å; E81-Y84 WeakPolarHBondContact O-CD2 3.45Å; E81-Y84 PolarHBondContact O-N 2.85Å; G82-Y84 VanDerWaalsContact C-N 3.34Å; Y84-L97 HydrophobicContact CD1-CD1 4.12Å; Y84-I98 CarbonylContact C-O 3.6Å; Y84-I98 WeakPolarHBondContact CA-O 3.45Å; Y84-I99 HydrophobicContact CD1-CD1 4.24Å; Y84-I99 HydrophobicContact CD1-CG1 3.89Å; Y84-I99 HydrophobicContact CD1-CG2 4.47Å; Y84-I99 HydrophobicContact CE1-CD1 3.92Å; Y84-I99 HydrophobicContact CE1-CG1 4.06Å; Y84-I99 HydrophobicContact CE1-CG2 4.34Å; Y84-D106 PolarHBondContact OH-OD1 3.39Å
85	S	98.6	Very high	97.4	Very high	27 Å²	27	71.1 Å²	71.1	19%	0.189	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	155.4	167.5	57.7	0	0	0	0	110.2	A79 I98	A79-S85 WeakPolarHBondContact O-CA 3.36Å; S85-I98 PolarHBondContact N-O 2.85Å; S85-I98 PolarHBondContact O-N 3Å; S85-I98 WeakPolarHBondContact OG-CB 3.36Å
86	L	98.6	Very high	97.5	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.01	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	145.4	176.8	-60.6	178.3	0	0	0	110.5	W56 I69 Q71 N78 A79 I95 G96 L97	W56-L86 VanDerWaalsContact CD1-CD2 3.42Å; W56-L86 HydrophobicContact CG-CD2 4.3Å; I69-L86 HydrophobicContact CD1-CD1 4.4Å; I69-L86 HydrophobicContact CD1-CG 4.11Å; I69-L86 HydrophobicContact CG1-CD1 4.04Å; I69-L86 HydrophobicContact CG1-CG 4.25Å; I69-L86 HydrophobicContact CG2-CD1 3.92Å; I69-L86 HydrophobicContact CG2-CD2 3.63Å; I69-L86 HydrophobicContact CG2-CG 3.89Å; Q71-L86 HydrophobicContact CB-CD1 3.73Å; N78-L86 WeakPolarHBondContact CB-O 3.5Å; N78-L86 PolarHBondContact ND2-O 2.9Å; N78-L86 PolarHBondContact OD1-O 2.84Å; A79-L86 HydrophobicContact CB-CD1 4.03Å; A79-L86 HydrophobicContact CB-CG 4.49Å; A79-L86 PolarHBondContact O-N 2.96Å; L86-I95 HydrophobicContact CB-CD1 4.48Å; L86-I95 HydrophobicContact CB-CG1 4.32Å; L86-I95 HydrophobicContact CD1-CD1 3.82Å; L86-I95 HydrophobicContact CD1-CG1 4.39Å; L86-I95 HydrophobicContact CD2-CG1 4.35Å; L86-G96 CarbonylContact C-O 3.53Å; L86-G96 VanDerWaalsContact CA-O 3.29Å; L86-G96 WeakPolarHBondContact CA-O 3.45Å; L86-L97 HydrophobicContact CD2-CB 4.31Å; L86-L97 HydrophobicContact CD2-CD1 3.93Å
87	N	98.2	Very high	97.7	Very high	53 Å²	53	57.1 Å²	57.1	28%	0.283	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	82.1	164.1	178.6	21.9	0	0	0	107.5	Q89 I95 G96 I98	N87-Q89 PolarHBondContact ND2-NE2 3.01Å; N87-Q89 PolarHBondContact OD1-NE2 3.49Å; N87-Q89 VanDerWaalsContact OD1-NE2 3.11Å; N87-I95 WeakPolarHBondContact O-CA 3.22Å; N87-G96 PolarHBondContact N-O 3.32Å; N87-G96 PolarHBondContact O-N 3.26Å; N87-G96 VanDerWaalsContact O-N 3.13Å; N87-I98 HydrophobicContact CB-CD1 4.05Å
88	F	98.2	Very high	97.7	Very high	22 Å²	22	52.3 Å²	52.3	10%	0.096	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	116.1	-178.2	177.5	-133	0	0	0	110.8	Y45 L54 Q71 N78 K90 I95	Y45-F88 HydrophobicContact CE1-CE2 4.11Å; L54-F88 HydrophobicContact CD1-CD2 4.09Å; L54-F88 HydrophobicContact CD1-CE2 3.72Å; Q71-F88 HydrophobicContact CG-CB 3.82Å; Q71-F88 HydrophobicContact CG-CD1 3.52Å; Q71-F88 HydrophobicContact CG-CD2 3.99Å; Q71-F88 HydrophobicContact CG-CE1 3.99Å; Q71-F88 HydrophobicContact CG-CE2 4.42Å; Q71-F88 HydrophobicContact CG-CG 3.51Å; Q71-F88 HydrophobicContact CG-CZ 4.42Å; N78-F88 WeakPolarHBondContact OD1-CB 2.97Å; N78-F88 PolarHBondContact OD1-N 3.18Å; F88-K90 HydrophobicContact CE1-CB 3.97Å; F88-K90 HydrophobicContact CE2-CB 4.09Å; F88-K90 HydrophobicContact CZ-CB 3.59Å; F88-K90 HydrophobicContact CZ-CD 4.13Å; F88-K90 HydrophobicContact CZ-CG 3.97Å; F88-I95 HydrophobicContact CD2-CB 4.47Å; F88-I95 HydrophobicContact CD2-CD1 4.28Å
89	Q	97.5	Very high	97.7	Very high	58 Å²	58	49.2 Å²	49.2	27%	0.271	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	77.2	-179.9	-58.9	-168.1	-12.2	0	0	109.5	N87 P91 K92 S93 S94	N87-Q89 PolarHBondContact ND2-NE2 3.01Å; N87-Q89 PolarHBondContact OD1-NE2 3.49Å; N87-Q89 VanDerWaalsContact OD1-NE2 3.11Å; Q89-P91 VanDerWaalsContact C-CD 3.45Å; Q89-P91 VanDerWaalsContact C-N 3.35Å; Q89-K92 HydrophobicContact CB-CB 4.27Å; Q89-K92 HydrophobicContact CB-CD 4.45Å; Q89-K92 CarbonylContact O-C 3.47Å; Q89-K92 PolarHBondContact O-N 2.81Å; Q89-K92 VanDerWaalsContact OE1-CD 3.3Å; Q89-K92 VanDerWaalsContact OE1-NZ 3.17Å; Q89-S93 PolarHBondContact O-N 2.91Å; Q89-S94 PolarHBondContact N-O 3.48Å; Q89-S94 PolarHBondContact O-N 2.94Å
90	K	95.7	Very high	97.7	Very high	86 Å²	86	50.7 Å²	50.7	37%	0.374	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-48.3	-45.5	-178.6	-169.6	169.1	-171.1	171.2	0	114.2	Y52 S73 F88 K92 S93	Y52-K90 WeakPolarHBondContact OH-CE 3.41Å; S73-K90 PolarHBondContact O-NZ 3.13Å; F88-K90 HydrophobicContact CE1-CB 3.97Å; F88-K90 HydrophobicContact CE2-CB 4.09Å; F88-K90 HydrophobicContact CZ-CB 3.59Å; F88-K90 HydrophobicContact CZ-CD 4.13Å; F88-K90 HydrophobicContact CZ-CG 3.97Å; K90-K92 PolarHBondContact O-N 2.87Å; K90-S93 PolarHBondContact O-N 2.96Å; K90-S93 VanDerWaalsContact O-N 3.14Å
91	P	95.4	Very high	97.7	Very high	132 Å²	132	48.5 Å²	48.5	86%	0.857	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-65.7	-19.2	-179.8	-22.4	35.3	0	0	0	114.7	Q89	Q89-P91 VanDerWaalsContact C-CD 3.45Å; Q89-P91 VanDerWaalsContact C-N 3.35Å
92	K	96.8	Very high	97.7	Very high	147 Å²	147	43 Å²	43	64%	0.639	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-105.4	5	178.8	-64.1	179.7	-174.9	172.1	0	112.5	Q89 K90 S94	Q89-K92 HydrophobicContact CB-CB 4.27Å; Q89-K92 HydrophobicContact CB-CD 4.45Å; Q89-K92 CarbonylContact O-C 3.47Å; Q89-K92 PolarHBondContact O-N 2.81Å; Q89-K92 VanDerWaalsContact OE1-CD 3.3Å; Q89-K92 VanDerWaalsContact OE1-NZ 3.17Å; K90-K92 PolarHBondContact O-N 2.87Å; K92-S94 PolarHBondContact O-N 2.97Å
93	S	97	Very high	97.7	Very high	45 Å²	45	43.8 Å²	43.8	32%	0.315	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.2	46.1	-171.6	-49.5	0	0	0	0	113.4	V44 Y45 Q89 K90	V44-S93 CarbonylContact C-O 3.57Å; V44-S93 VanDerWaalsContact CA-O 3.31Å; V44-S93 WeakPolarHBondContact CA-O 3.32Å; V44-S93 WeakPolarHBondContact CG1-O 3.49Å; Y45-S93 VanDerWaalsContact CD1-C 3.45Å; Y45-S93 WeakPolarHBondContact CD1-O 3.42Å; Y45-S93 VanDerWaalsContact CE1-CA 3.49Å; Y45-S93 WeakPolarHBondContact CE1-O 3.34Å; Y45-S93 VanDerWaalsContact CZ-CA 3.46Å; Y45-S93 PolarHBondContact N-O 3.21Å; Y45-S93 WeakPolarHBondContact O-CB 3.44Å; Q89-S93 PolarHBondContact O-N 2.91Å; K90-S93 PolarHBondContact O-N 2.96Å; K90-S93 VanDerWaalsContact O-N 3.14Å
94	S	98	Very high	97.6	Very high	20 Å²	20	47.6 Å²	47.6	14%	0.14	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.7	-175.2	177.8	0	0	0	0	111.4	C43 Q89 K92	C43-S94 CarbonylContact O-C 3.53Å; C43-S94 WeakPolarHBondContact O-CA 3.5Å; C43-S94 PolarHBondContact O-OG 2.74Å; Q89-S94 PolarHBondContact N-O 3.48Å; Q89-S94 PolarHBondContact O-N 2.94Å; K92-S94 PolarHBondContact O-N 2.97Å
95	I	98.4	Very high	97.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	94.5	175.4	-169.7	161.1	0	0	0	111.6	C43 Y45 L54 W56 Q71 L86 N87 F88	C43-I95 HydrophobicContact CB-CG2 3.99Å; C43-I95 WeakPolarHBondContact CB-O 3.02Å; C43-I95 PolarHBondContact O-N 2.96Å; Y45-I95 HydrophobicContact CD1-CG2 4.37Å; L54-I95 HydrophobicContact CB-CD1 3.48Å; L54-I95 VanDerWaalsContact CB-CD1 3.48Å; L54-I95 HydrophobicContact CB-CG2 4.39Å; L54-I95 HydrophobicContact CD1-CB 4.12Å; L54-I95 HydrophobicContact CD1-CD1 3.69Å; L54-I95 HydrophobicContact CD1-CG2 4.03Å; L54-I95 HydrophobicContact CD2-CG2 4.32Å; L54-I95 HydrophobicContact CG-CD1 4.21Å; L54-I95 HydrophobicContact CG-CG2 4.48Å; W56-I95 WeakPolarHBondContact CZ2-O 3.23Å; W56-I95 PolarHBondContact NE1-O 2.84Å; Q71-I95 HydrophobicContact CB-CD1 3.52Å; Q71-I95 HydrophobicContact CG-CD1 4.12Å; L86-I95 HydrophobicContact CB-CD1 4.48Å; L86-I95 HydrophobicContact CB-CG1 4.32Å; L86-I95 HydrophobicContact CD1-CD1 3.82Å; L86-I95 HydrophobicContact CD1-CG1 4.39Å; L86-I95 HydrophobicContact CD2-CG1 4.35Å; N87-I95 WeakPolarHBondContact O-CA 3.22Å; F88-I95 HydrophobicContact CD2-CB 4.47Å; F88-I95 HydrophobicContact CD2-CD1 4.28Å
96	G	98.4	Very high	97.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	136	175.8	0	0	0	0	0	111.9	M41 L86 N87	M41-G96 CarbonylContact O-C 3.57Å; M41-G96 WeakPolarHBondContact O-CA 3.37Å; L86-G96 CarbonylContact C-O 3.53Å; L86-G96 VanDerWaalsContact CA-O 3.29Å; L86-G96 WeakPolarHBondContact CA-O 3.45Å; N87-G96 PolarHBondContact N-O 3.32Å; N87-G96 PolarHBondContact O-N 3.26Å; N87-G96 VanDerWaalsContact O-N 3.13Å
97	L	98.7	Very high	97.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123.3	164.5	173.7	65	0	0	0	109.3	T40 M41 W56 L68 I69 Y84 L86 I99 Y110	T40-L97 CarbonylContact C-O 3.54Å; T40-L97 VanDerWaalsContact CA-O 3.31Å; T40-L97 WeakPolarHBondContact CA-O 3.48Å; M41-L97 HydrophobicContact CB-CB 4.48Å; M41-L97 HydrophobicContact CE-CB 4.35Å; M41-L97 HydrophobicContact CE-CD2 3.52Å; M41-L97 HydrophobicContact CE-CG 3.93Å; M41-L97 PolarHBondContact N-O 2.85Å; M41-L97 PolarHBondContact O-N 2.88Å; W56-L97 HydrophobicContact CB-CD1 4.43Å; W56-L97 HydrophobicContact CB-CD2 4.06Å; W56-L97 HydrophobicContact CD2-CB 3.48Å; W56-L97 VanDerWaalsContact CD2-CB 3.48Å; W56-L97 HydrophobicContact CD2-CD2 3.81Å; W56-L97 HydrophobicContact CD2-CG 4.2Å; W56-L97 VanDerWaalsContact CE2-CB 3.43Å; W56-L97 HydrophobicContact CE3-CB 3.91Å; W56-L97 HydrophobicContact CE3-CD2 3.66Å; W56-L97 HydrophobicContact CE3-CG 4.43Å; W56-L97 HydrophobicContact CG-CB 3.83Å; W56-L97 HydrophobicContact CG-CD1 4.37Å; W56-L97 HydrophobicContact CG-CD2 4.01Å; W56-L97 HydrophobicContact CG-CG 4.3Å; W56-L97 HydrophobicContact CH2-CB 4.19Å; W56-L97 HydrophobicContact CZ2-CB 3.8Å; W56-L97 HydrophobicContact CZ3-CB 4.25Å; W56-L97 HydrophobicContact CZ3-CD2 4.34Å; L68-L97 HydrophobicContact CD1-CD2 4Å; I69-L97 HydrophobicContact CG2-CD1 4.05Å; Y84-L97 HydrophobicContact CD1-CD1 4.12Å; L86-L97 HydrophobicContact CD2-CB 4.31Å; L86-L97 HydrophobicContact CD2-CD1 3.93Å; L97-I99 HydrophobicContact CD2-CD1 4.5Å; L97-I99 HydrophobicContact CD2-CG1 4.46Å; L97-I99 HydrophobicContact CG-CG1 4.27Å; L97-Y110 HydrophobicContact CD2-CD1 3.58Å; L97-Y110 HydrophobicContact CD2-CE1 3.93Å
98	I	98.6	Very high	97.1	Very high	38 Å²	38	55.4 Å²	55.4	20%	0.195	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.2	175.2	-58.9	170.7	0	0	0	108	T38 V39 T40 Y84 S85 N87 T100	T38-I98 HydrophobicContact CG2-CG2 3.72Å; V39-I98 WeakPolarHBondContact O-CA 3.34Å; T40-I98 HydrophobicContact CG2-CG1 4.14Å; Y84-I98 CarbonylContact C-O 3.6Å; Y84-I98 WeakPolarHBondContact CA-O 3.45Å; S85-I98 PolarHBondContact N-O 2.85Å; S85-I98 PolarHBondContact O-N 3Å; S85-I98 WeakPolarHBondContact OG-CB 3.36Å; N87-I98 HydrophobicContact CB-CD1 4.05Å; I98-T100 HydrophobicContact CG2-CG2 4.09Å
99	I	98.5	Very high	97.1	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.5	169.9	-47.3	-177.1	0	0	0	107.3	T38 V39 M41 Y84 L97 T102 Y110	T38-I99 WeakPolarHBondContact CA-O 3.4Å; V39-I99 HydrophobicContact CG1-CB 3.79Å; V39-I99 HydrophobicContact CG1-CD1 4.34Å; V39-I99 HydrophobicContact CG1-CG1 4.17Å; V39-I99 PolarHBondContact N-O 2.76Å; V39-I99 PolarHBondContact O-N 3.09Å; M41-I99 HydrophobicContact CE-CD1 3.53Å; M41-I99 HydrophobicContact CE-CG1 3.92Å; Y84-I99 HydrophobicContact CD1-CD1 4.24Å; Y84-I99 HydrophobicContact CD1-CG1 3.89Å; Y84-I99 HydrophobicContact CD1-CG2 4.47Å; Y84-I99 HydrophobicContact CE1-CD1 3.92Å; Y84-I99 HydrophobicContact CE1-CG1 4.06Å; Y84-I99 HydrophobicContact CE1-CG2 4.34Å; L97-I99 HydrophobicContact CD2-CD1 4.5Å; L97-I99 HydrophobicContact CD2-CG1 4.46Å; L97-I99 HydrophobicContact CG-CG1 4.27Å; I99-T102 HydrophobicContact CB-CG2 4.29Å; I99-T102 HydrophobicContact CG2-CG2 4.09Å; I99-Y110 HydrophobicContact CD1-CE1 3.68Å; I99-Y110 HydrophobicContact CD1-CE2 4.41Å; I99-Y110 WeakPolarHBondContact CD1-OH 3.32Å
100	T	98.2	Very high	97.1	Very high	56 Å²	56	56.5 Å²	56.5	34%	0.344	32%	0.319	S	S	.	.			trans	-99.6	150.3	177.1	58	0	0	0	0	110.8	T38 H83 I98 T102	T38-T100 HydrophobicContact CG2-CG2 4.27Å; H83-T100 WeakPolarHBondContact CB-O 3.35Å; H83-T100 PolarHBondContact O-N 2.75Å; H83-T100 PolarHBondContact O-OG1 2.9Å; I98-T100 HydrophobicContact CG2-CG2 4.09Å; T100-T102 VanDerWaalsContact C-N 3.3Å; T100-T102 PolarHBondContact O-N 3.25Å
101	A	97.6	Very high	97.2	Very high	56 Å²	56	56.6 Å²	56.6	46%	0.463	32%	0.319	S	S	.	.	S	Bend	trans	49.9	50.5	178.6	0	0	0	0	0	112.9	T37	T37-A101 PolarHBondContact O-N 3.02Å; T37-A101 VanDerWaalsContact O-N 3.09Å
102	T	97.7	Very high	97.4	Very high	8 Å²	8	50.7 Å²	50.7	5%	0.049	28%	0.281	C	S	.	.			trans	-47.5	141.3	-174.8	47.4	0	0	0	0	113.8	V33 M34 E35 K36 T37 V39 I99 T100 D106	V33-T102 HydrophobicContact CG2-CG2 4.28Å; M34-T102 PolarHBondContact O-OG1 3.13Å; E35-T102 CarbonylContact C-O 3.48Å; E35-T102 WeakPolarHBondContact CA-O 3.37Å; K36-T102 PolarHBondContact N-O 3.03Å; K36-T102 PolarHBondContact N-OG1 3.29Å; T37-T102 PolarHBondContact N-OG1 3.15Å; T37-T102 WeakPolarHBondContact O-CG2 3.2Å; T37-T102 PolarHBondContact O-N 3.32Å; T37-T102 PolarHBondContact O-OG1 3.03Å; V39-T102 HydrophobicContact CB-CG2 4.44Å; V39-T102 HydrophobicContact CG1-CG2 3.73Å; I99-T102 HydrophobicContact CB-CG2 4.29Å; I99-T102 HydrophobicContact CG2-CG2 4.09Å; T100-T102 VanDerWaalsContact C-N 3.3Å; T100-T102 PolarHBondContact O-N 3.25Å; T102-D106 WeakPolarHBondContact CA-OD2 3.4Å
103	Q	96.7	Very high	97.4	Very high	99 Å²	99	45.3 Å²	45.3	46%	0.463	26%	0.264	S	S	.	.			trans	-121.1	160.8	180	-49.8	175.9	17.5	0	0	110.3	E105 D106	Q103-E105 WeakPolarHBondContact CB-OE2 3.13Å; Q103-E105 PolarHBondContact O-N 3.11Å; Q103-E105 VanDerWaalsContact O-N 3.16Å; Q103-D106 PolarHBondContact N-OD2 3.13Å; Q103-D106 WeakPolarHBondContact O-CB 3.5Å; Q103-D106 PolarHBondContact O-N 3.14Å
104	I	95	Very high	97.4	Very high	118 Å²	118	44.6 Å²	44.6	61%	0.605	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-52.6	-35.5	173.6	-82.6	152.4	0	0	0	111.7	E35 D106 S107	E35-I104 HydrophobicContact CG-CG1 4.4Å; E35-I104 WeakPolarHBondContact OE1-CD1 3.27Å; E35-I104 WeakPolarHBondContact OE1-CG1 3.34Å; E35-I104 PolarHBondContact OE1-N 3.21Å; E35-I104 VanDerWaalsContact OE1-N 3.15Å; I104-D106 PolarHBondContact O-N 3.49Å; I104-S107 WeakPolarHBondContact O-CB 3.32Å; I104-S107 PolarHBondContact O-N 3.28Å
105	E	94	Very high	97.3	Very high	126 Å²	126	51.7 Å²	51.7	59%	0.589	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-69.1	-12.4	179.8	-59.4	74.8	-163.4	0	0	113.8	K58 Q103 S107	K58-E105 PolarHBondContact NZ-O 3.02Å; Q103-E105 WeakPolarHBondContact CB-OE2 3.13Å; Q103-E105 PolarHBondContact O-N 3.11Å; Q103-E105 VanDerWaalsContact O-N 3.16Å; E105-S107 VanDerWaalsContact C-N 3.29Å
106	D	95.9	Very high	96.7	Very high	15 Å²	15	57.6 Å²	57.6	8%	0.08	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-82	-8.1	171.8	-63.5	-42.7	0	0	0	112.2	H83 Y84 T102 Q103 I104 A108 Y110	H83-D106 IonicContact CE1-OD1 3.69Å; H83-D106 PolarHBondContact CE1-OD1 2.95Å; H83-D106 IonicContact CE1-OD2 3.02Å; H83-D106 PolarHBondContact CE1-OD2 3.19Å; H83-D106 VanDerWaalsContact CE1-OD2 3.24Å; H83-D106 IonicContact NE2-OD1 3.24Å; H83-D106 PolarHBondContact NE2-OD1 3.19Å; H83-D106 IonicContact NE2-OD2 3.16Å; Y84-D106 PolarHBondContact OH-OD1 3.39Å; T102-D106 WeakPolarHBondContact CA-OD2 3.4Å; Q103-D106 PolarHBondContact N-OD2 3.13Å; Q103-D106 WeakPolarHBondContact O-CB 3.5Å; Q103-D106 PolarHBondContact O-N 3.14Å; I104-D106 PolarHBondContact O-N 3.49Å; D106-A108 PolarHBondContact O-N 3.46Å; D106-Y110 VanDerWaalsContact O-CE2 3.28Å; D106-Y110 WeakPolarHBondContact O-CE2 3.43Å; D106-Y110 PolarHBondContact O-OH 3.19Å
107	S	95.9	Very high	96.6	Very high	102 Å²	102	60.5 Å²	60.5	71%	0.713	32%	0.322	S	S	*	.			trans	-67.6	102.6	174.3	-179.6	0	0	0	0	110.6	I104 E105	I104-S107 WeakPolarHBondContact O-CB 3.32Å; I104-S107 PolarHBondContact O-N 3.28Å; E105-S107 VanDerWaalsContact C-N 3.29Å
108	A	97.1	Very high	96.5	Very high	33 Å²	33	63.7 Å²	63.7	27%	0.273	34%	0.339	S	S	.	.	S	Bend	trans	-158.6	171.3	-173.3	0	0	0	0	0	111.2	K58 Q59 D106 Y110	K58-A108 HydrophobicContact CB-CB 3.99Å; K58-A108 HydrophobicContact CD-CB 4.32Å; Q59-A108 VanDerWaalsContact O-CB 3.3Å; Q59-A108 WeakPolarHBondContact O-CB 3.4Å; D106-A108 PolarHBondContact O-N 3.46Å; A108-Y110 HydrophobicContact CB-CD2 4.37Å; A108-Y110 HydrophobicContact CB-CE2 3.83Å; A108-Y110 WeakPolarHBondContact O-CD2 3.48Å
109	V	97.6	Very high	96.3	Very high	81 Å²	81	65.1 Å²	65.1	49%	0.491	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132.6	164.1	-179.3	0	0	0	0	108.3	K58 Q59 F111	K58-V109 CarbonylContact C-O 3.56Å; K58-V109 WeakPolarHBondContact CA-O 3.39Å; Q59-V109 HydrophobicContact CB-CB 4.29Å; Q59-V109 PolarHBondContact N-O 3Å; Q59-V109 PolarHBondContact O-N 2.84Å; V109-F111 HydrophobicContact CB-CE2 4.19Å; V109-F111 HydrophobicContact CB-CZ 4.48Å; V109-F111 HydrophobicContact CG1-CD2 4.38Å; V109-F111 HydrophobicContact CG1-CE1 4.23Å; V109-F111 HydrophobicContact CG1-CE2 3.64Å; V109-F111 HydrophobicContact CG1-CZ 3.56Å
110	Y	98.3	Very high	96.2	Very high	23 Å²	23	68.8 Å²	68.8	9%	0.09	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.7	-177.1	-71.1	-98.8	0	0	0	111.5	Q26 M41 Y57 K58 L68 L97 I99 D106 A108	Q26-Y110 PolarHBondContact NE2-O 3.09Å; M41-Y110 HydrophobicContact CE-CD1 3.84Å; M41-Y110 HydrophobicContact CE-CD2 4.05Å; M41-Y110 HydrophobicContact CE-CE1 4.04Å; M41-Y110 HydrophobicContact CE-CE2 4.26Å; M41-Y110 HydrophobicContact CE-CG 3.84Å; M41-Y110 VanDerWaalsContact SD-CB 3.56Å; M41-Y110 HydrophobicContact SD-CD1 4.07Å; M41-Y110 HydrophobicContact SD-CD2 3.54Å; M41-Y110 VanDerWaalsContact SD-CD2 3.54Å; M41-Y110 HydrophobicContact SD-CE2 4.24Å; M41-Y110 HydrophobicContact SD-CG 3.45Å; Y57-Y110 WeakPolarHBondContact O-CA 3.15Å; K58-Y110 HydrophobicContact CB-CD1 4.01Å; K58-Y110 HydrophobicContact CB-CE1 3.86Å; L68-Y110 HydrophobicContact CD1-CD1 3.77Å; L68-Y110 HydrophobicContact CD1-CE1 3.58Å; L97-Y110 HydrophobicContact CD2-CD1 3.58Å; L97-Y110 HydrophobicContact CD2-CE1 3.93Å; I99-Y110 HydrophobicContact CD1-CE1 3.68Å; I99-Y110 HydrophobicContact CD1-CE2 4.41Å; I99-Y110 WeakPolarHBondContact CD1-OH 3.32Å; D106-Y110 VanDerWaalsContact O-CE2 3.28Å; D106-Y110 WeakPolarHBondContact O-CE2 3.43Å; D106-Y110 PolarHBondContact O-OH 3.19Å; A108-Y110 HydrophobicContact CB-CD2 4.37Å; A108-Y110 HydrophobicContact CB-CE2 3.83Å; A108-Y110 WeakPolarHBondContact O-CD2 3.48Å
111	F	98.2	Very high	96.1	Very high	87 Å²	87	69.6 Å²	69.6	38%	0.382	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.1	-178.5	-64.2	-80.5	0	0	0	110.8	W56 Y57 Q59 I65 V109	W56-F111 WeakPolarHBondContact CA-O 3.3Å; Y57-F111 PolarHBondContact N-O 2.92Å; Y57-F111 PolarHBondContact O-N 2.83Å; Q59-F111 HydrophobicContact CB-CD2 4.39Å; Q59-F111 HydrophobicContact CB-CE2 3.78Å; I65-F111 HydrophobicContact CD1-CE2 4.36Å; V109-F111 HydrophobicContact CB-CE2 4.19Å; V109-F111 HydrophobicContact CB-CZ 4.48Å; V109-F111 HydrophobicContact CG1-CD2 4.38Å; V109-F111 HydrophobicContact CG1-CE1 4.23Å; V109-F111 HydrophobicContact CG1-CE2 3.64Å; V109-F111 HydrophobicContact CG1-CZ 3.56Å
112	C	98.4	Very high	96	Very high	9 Å²	9	70.5 Å²	70.5	6%	0.061	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138	166.2	-178.6	0	0	0	0	109.3	Q26 C43 F55 W56	Q26-C112 HydrophobicContact CG-CB 4.08Å; C43-C112 HydrophobicContact CB-CB 3.52Å; C43-C112 WeakPolarHBondContact CB-SG 3.38Å; C43-C112 WeakPolarHBondContact SG-CB 3.31Å; C43-C112 CovalentContact SG-SG 2.04Å; C43-C112 PolarHBondContact SG-SG 3.01Å; F55-C112 WeakPolarHBondContact O-CA 3.25Å; W56-C112 HydrophobicContact CD2-CB 4.36Å; W56-C112 HydrophobicContact CE3-CB 4.45Å; W56-C112 HydrophobicContact CH2-CB 4.18Å; W56-C112 HydrophobicContact CZ2-CB 4.06Å; W56-C112 HydrophobicContact CZ3-CB 4.36Å
113	A	97.9	Very high	95.9	Very high	33 Å²	33	75 Å²	75	27%	0.273	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	159.4	177.5	0	0	0	0	0	111.5	L54 F55 Y57	L54-A113 WeakPolarHBondContact CA-O 3.46Å; F55-A113 HydrophobicContact CB-CB 4.38Å; F55-A113 PolarHBondContact N-O 2.78Å; F55-A113 PolarHBondContact O-N 2.85Å; Y57-A113 HydrophobicContact CE2-CB 4.41Å
114	M	96.8	Very high	95.8	Very high	31 Å²	31	73.2 Å²	73.2	15%	0.153	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.7	178.5	-171.5	174.1	62.6	0	0	110.4	Q22 V24 Y45 E46 T47 Y52 F53 L54	Q22-M114 HydrophobicContact CB-CE 3.5Å; Q22-M114 VanDerWaalsContact CB-CE 3.5Å; Q22-M114 HydrophobicContact CG-CE 3.78Å; V24-M114 HydrophobicContact CG1-CB 3.92Å; Y45-M114 HydrophobicContact CD2-SD 3.82Å; Y45-M114 HydrophobicContact CG-SD 4.16Å; E46-M114 WeakPolarHBondContact O-CE 3.39Å; T47-M114 HydrophobicContact CG2-SD 4.03Å; Y52-M114 HydrophobicContact CD2-CG 4.5Å; Y52-M114 HydrophobicContact CD2-SD 4.33Å; F53-M114 CarbonylContact O-C 3.56Å; F53-M114 VanDerWaalsContact O-CA 3.32Å; F53-M114 WeakPolarHBondContact O-CA 3.12Å; L54-M114 HydrophobicContact CD2-CB 3.81Å; L54-M114 HydrophobicContact CD2-CG 3.69Å; L54-M114 HydrophobicContact CD2-SD 4.01Å
115	R	94.8	Very high	95.9	Very high	169 Å²	169	69.4 Å²	69.4	64%	0.638	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.6	146.7	174.9	-168.8	-165.1	157.4	170.2	3.4	110.6	Y52 F53 F55	Y52-R115 CarbonylContact C-O 3.59Å; Y52-R115 VanDerWaalsContact CA-O 3.32Å; Y52-R115 WeakPolarHBondContact CA-O 3.27Å; Y52-R115 WeakPolarHBondContact CB-O 3.15Å; F53-R115 PolarHBondContact N-O 2.67Å; F53-R115 PolarHBondContact O-N 2.7Å; F55-R115 HydrophobicContact CE2-CB 3.78Å; F55-R115 HydrophobicContact CZ-CB 4.47Å
116	E	85.8	Confident	96	Very high	124 Å²	124	64.3 Å²	64.3	58%	0.579	34%	0.339	S	S	*	.			trans	-83	0	166.9	-55.8	173.5	-159.8	0	0	112.4	Q22 D49	Q22-E116 WeakPolarHBondContact CG-OE1 3.48Å; Q22-E116 VanDerWaalsContact NE2-CD 3.26Å; Q22-E116 PolarHBondContact NE2-OE1 3.28Å; Q22-E116 PolarHBondContact OE1-OE1 3.15Å; D49-E116 HydrophobicContact CB-CG 4.48Å; D49-E116 WeakPolarHBondContact OD2-CG 3.37Å

Retrieved 116 of 116 residues in 104.1 ms (Link to these results)

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