A0A075B607_MOUSE Loading...

T cell receptor alpha variable 14-3

AlphaFold DB , UniProt , Accession A0A075B607, Species MOUSE (Mus musculus, Mouse), Gene Trav14-3, Length 120 aa.

						>A0A075B607_MOUSE|A0A075B607|Trav14-3
MDKILTASFLLLGLHLSGVSGQQEKRDQQQVRQSPQSLTVWEGETAILNCSYENSAFDYFPWYQQFPGEGPALLIAIRSVSDKKEDGRFTIFFNKREKKLSLHITDSQPGDSATYFCAAS
					

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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	47.8	Very low	53.6	Low	229 Å²	229	154.1 Å²	154.1	100%	1.128	82%	0.821	S	S	*	*				0	116.7	0	-100.8	148.9	61	0	0	104.8
2	D	42.9	Very low	54.7	Low	144 Å²	144	153.8 Å²	153.8	77%	0.77	82%	0.818	S	S	*	*				-147.1	146.7	57.8	-69	-45.6	0	0	0	115.3
3	K	41.7	Very low	55.6	Low	195 Å²	195	147.3 Å²	147.3	85%	0.848	81%	0.811	S	S	*	*			trans	-91	122	166.6	-82.1	173.9	169.5	175.8	0	107.7
4	I	58.8	Low	56.6	Low	144 Å²	144	147.6 Å²	147.6	74%	0.738	81%	0.81	S	S	*	*			trans	-106.9	100.9	166.2	-58.7	177.1	0	0	0	107	T6	I4-T6 HydrophobicContact CG2-CG2 4.37Å; I4-T6 PolarHBondContact O-N 3.47Å
5	L	52	Low	56.8	Low	164 Å²	164	150.1 Å²	150.1	86%	0.859	81%	0.813	S	S	*	*			trans	-78.2	98	164.4	-90.2	113.5	0	0	0	107.8
6	T	53.9	Low	57.2	Low	122 Å²	122	150.9 Å²	150.9	75%	0.748	82%	0.815	S	S	*	*			trans	-100.4	103.9	166.9	10.9	0	0	0	0	108.9	I4 S8	I4-T6 HydrophobicContact CG2-CG2 4.37Å; I4-T6 PolarHBondContact O-N 3.47Å; T6-S8 PolarHBondContact O-N 3.4Å
7	A	52.4	Low	57.7	Low	88 Å²	88	148.6 Å²	148.6	73%	0.727	81%	0.813	S	S	*	*			trans	-67.6	122.9	178.4	0	0	0	0	0	111	F9	A7-F9 HydrophobicContact CB-CE2 4.36Å
8	S	59.6	Low	58.1	Low	106 Å²	106	144.8 Å²	144.8	74%	0.741	81%	0.814	S	S	*	*			trans	-80.8	130.3	170.2	-54	0	0	0	0	110.5	T6	T6-S8 PolarHBondContact O-N 3.4Å
9	F	59.8	Low	58.6	Low	186 Å²	186	144.5 Å²	144.5	82%	0.816	82%	0.816	S	S	*	*			trans	-132.3	81.9	161.4	-77.5	-83.5	0	0	0	108.7	A7	A7-F9 HydrophobicContact CB-CE2 4.36Å
10	L	62.5	Low	58.8	Low	153 Å²	153	143.3 Å²	143.3	80%	0.801	82%	0.817	S	S	*	*			trans	-92.5	95.4	169.5	-67	173.1	0	0	0	108.2	L12	L10-L12 PolarHBondContact O-N 3.41Å
11	L	59	Low	58.9	Low	164 Å²	164	139.4 Å²	139.4	86%	0.859	81%	0.808	S	S	*	*			trans	-91	88	170.3	-68.9	173.4	0	0	0	108.9
12	L	66	Low	59.3	Low	150 Å²	150	137.9 Å²	137.9	79%	0.785	80%	0.798	S	S	*	*			trans	-92.8	98.6	170.6	-81.5	152.3	0	0	0	108.8	L10	L10-L12 PolarHBondContact O-N 3.41Å
13	G	66.4	Low	59.8	Low	70 Å²	70	139.8 Å²	139.8	72%	0.722	80%	0.803	S	S	*	*			trans	-79.8	113	172.2	0	0	0	0	0	110.8
14	L	69.4	Low	60.3	Low	151 Å²	151	138.9 Å²	138.9	79%	0.791	80%	0.801	S	S	*	*			trans	-110	100.3	172.5	-80	162.8	0	0	0	109	L16	L14-L16 PolarHBondContact O-N 3.31Å
15	H	60.5	Low	60	Low	186 Å²	186	139.3 Å²	139.3	86%	0.861	80%	0.798	S	S	*	*			trans	-85.8	98.8	168.5	-70.8	-77	0	0	0	108.9	S17	H15-S17 PolarHBondContact O-N 3.39Å
16	L	63.4	Low	60	Low	162 Å²	162	142.7 Å²	142.7	85%	0.848	80%	0.799	S	S	*	*			trans	-81.9	98	167.8	-77.8	152.3	0	0	0	108	L14 G18	L14-L16 PolarHBondContact O-N 3.31Å; L16-G18 PolarHBondContact O-N 3.18Å
17	S	64.8	Low	60.2	Low	112 Å²	112	141.8 Å²	141.8	78%	0.783	79%	0.79	S	S	*	*			trans	-60.9	113.8	164.5	39.3	0	0	0	0	108.6	H15 V19	H15-S17 PolarHBondContact O-N 3.39Å; S17-V19 PolarHBondContact O-N 3.35Å
18	G	65.8	Low	60.7	Low	80 Å²	80	145 Å²	145	83%	0.825	79%	0.79	S	S	*	*			trans	-61.9	124.1	-174.4	0	0	0	0	0	112.2	L16	L16-G18 PolarHBondContact O-N 3.18Å
19	V	66.7	Low	61.2	Low	140 Å²	140	145 Å²	145	85%	0.848	78%	0.778	S	S	*	*			trans	-93.2	112.1	163.9	173.3	0	0	0	0	107.1	S17 G21	S17-V19 PolarHBondContact O-N 3.35Å; V19-G21 VanDerWaalsContact C-N 3.3Å; V19-G21 PolarHBondContact O-N 3.45Å
20	S	62.6	Low	62.6	Low	120 Å²	120	139.8 Å²	139.8	84%	0.839	76%	0.756	S	S	*	*			trans	-79	81.4	169.8	59.5	0	0	0	0	109.2	Q22	S20-Q22 PolarHBondContact O-N 3.07Å
21	G	61.1	Low	64.2	Low	61 Å²	61	134 Å²	134	63%	0.629	73%	0.727	S	S	*	*			trans	-78	109.9	161.7	0	0	0	0	0	108.4	V19 Q23	V19-G21 VanDerWaalsContact C-N 3.3Å; V19-G21 PolarHBondContact O-N 3.45Å; G21-Q23 VanDerWaalsContact C-N 3.26Å; G21-Q23 PolarHBondContact O-N 2.92Å
22	Q	55.4	Low	66.1	Low	197 Å²	197	132.5 Å²	132.5	92%	0.921	71%	0.71	S	S	*	*			trans	-64.2	95.5	160.2	-76.3	179.3	-35.4	0	0	106.5	S20 E24	S20-Q22 PolarHBondContact O-N 3.07Å; Q22-E24 VanDerWaalsContact C-N 3.35Å; Q22-E24 PolarHBondContact O-N 2.95Å
23	Q	54.1	Low	67.6	Low	185 Å²	185	128.9 Å²	128.9	86%	0.864	69%	0.689	S	S	*	*			trans	-69.1	100.8	172.6	-168.1	149.9	-46.4	0	0	106.8	G21 K25	G21-Q23 VanDerWaalsContact C-N 3.26Å; G21-Q23 PolarHBondContact O-N 2.92Å; Q23-K25 VanDerWaalsContact C-N 3.34Å; Q23-K25 PolarHBondContact O-N 2.87Å
24	E	51.6	Low	69.1	Low	175 Å²	175	128.6 Å²	128.6	82%	0.818	68%	0.676	S	S	*	*			trans	-52.4	104.3	166.6	-165.3	175.9	-159.3	0	0	106.4	Q22 R26	Q22-E24 VanDerWaalsContact C-N 3.35Å; Q22-E24 PolarHBondContact O-N 2.95Å; E24-R26 VanDerWaalsContact C-N 3.28Å; E24-R26 PolarHBondContact O-N 2.69Å
25	K	52.5	Low	70.5	Confident	154 Å²	154	124.1 Å²	124.1	67%	0.67	66%	0.656	S	S	*	*			trans	-57.4	97.8	175.9	-168.2	-173.4	-173.4	-148.3	0	105.2	Q23 D27	Q23-K25 VanDerWaalsContact C-N 3.34Å; Q23-K25 PolarHBondContact O-N 2.87Å; K25-D27 HydrophobicContact CD-CB 4.24Å; K25-D27 WeakPolarHBondContact CD-OD2 3.43Å; K25-D27 VanDerWaalsContact CE-CG 3.41Å; K25-D27 WeakPolarHBondContact CE-OD1 3.41Å; K25-D27 VanDerWaalsContact CE-OD2 3.27Å; K25-D27 WeakPolarHBondContact CE-OD2 3.27Å; K25-D27 HydrophobicContact CG-CB 4.09Å; K25-D27 VanDerWaalsContact NZ-CG 3.31Å; K25-D27 IonicContact NZ-OD1 2.74Å; K25-D27 PolarHBondContact NZ-OD1 3.24Å; K25-D27 IonicContact NZ-OD2 3.66Å; K25-D27 PolarHBondContact NZ-OD2 2.78Å; K25-D27 PolarHBondContact O-N 3.22Å
26	R	52.6	Low	72.3	Confident	235 Å²	235	124.9 Å²	124.9	89%	0.887	66%	0.66	S	S	*	*			trans	-64.8	75.7	167.3	-79.5	-166.4	-152.4	-155.6	5.7	107	E24 Q28	E24-R26 VanDerWaalsContact C-N 3.28Å; E24-R26 PolarHBondContact O-N 2.69Å; R26-Q28 PolarHBondContact O-N 2.69Å; R26-Q28 VanDerWaalsContact O-N 3.08Å
27	D	57.5	Low	73.9	Confident	102 Å²	102	121.9 Å²	121.9	55%	0.545	65%	0.652	S	S	.	*			trans	-83.7	31.5	-178.6	-126.7	20.2	0	0	0	110.2	K25 Q29	K25-D27 HydrophobicContact CD-CB 4.24Å; K25-D27 WeakPolarHBondContact CD-OD2 3.43Å; K25-D27 VanDerWaalsContact CE-CG 3.41Å; K25-D27 WeakPolarHBondContact CE-OD1 3.41Å; K25-D27 VanDerWaalsContact CE-OD2 3.27Å; K25-D27 WeakPolarHBondContact CE-OD2 3.27Å; K25-D27 HydrophobicContact CG-CB 4.09Å; K25-D27 VanDerWaalsContact NZ-CG 3.31Å; K25-D27 IonicContact NZ-OD1 2.74Å; K25-D27 PolarHBondContact NZ-OD1 3.24Å; K25-D27 IonicContact NZ-OD2 3.66Å; K25-D27 PolarHBondContact NZ-OD2 2.78Å; K25-D27 PolarHBondContact O-N 3.22Å; D27-Q29 PolarHBondContact O-N 2.86Å
28	Q	63.3	Low	75.5	Confident	156 Å²	156	120.1 Å²	120.1	73%	0.729	63%	0.633	S	S	*	*			trans	-78.9	61.9	163.2	-72.7	-173.4	-19.3	0	0	108.1	R26 Q30	R26-Q28 PolarHBondContact O-N 2.69Å; R26-Q28 VanDerWaalsContact O-N 3.08Å; Q28-Q30 PolarHBondContact O-N 2.91Å
29	Q	70	Confident	77	Confident	107 Å²	107	122.5 Å²	122.5	50%	0.5	63%	0.632	S	S	.	*			trans	-72	85.9	171.7	-174	176.3	-92.3	0	0	108.2	D27 V31 R32	D27-Q29 PolarHBondContact O-N 2.86Å; Q29-V31 WeakPolarHBondContact CG-O 3.45Å; Q29-V31 PolarHBondContact O-N 2.93Å; Q29-R32 HydrophobicContact CG-CG 4.42Å
30	Q	90.2	Very high	78.5	Confident	75 Å²	75	118.2 Å²	118.2	35%	0.35	61%	0.606	S	S	.	*			trans	-71.1	-13	-175.9	-69.6	177.5	-11.5	0	0	113.5	Q28 Y52 E53 F57	Q28-Q30 PolarHBondContact O-N 2.91Å; Q30-Y52 CarbonylContact O-C 3.6Å; Q30-Y52 WeakPolarHBondContact O-CA 3.25Å; Q30-Y52 WeakPolarHBondContact O-CB 3.31Å; Q30-E53 PolarHBondContact O-N 2.68Å; Q30-F57 HydrophobicContact CB-CE2 4.04Å; Q30-F57 HydrophobicContact CB-CZ 4.31Å
31	V	96.5	Very high	80.2	Confident	31 Å²	31	122.2 Å²	122.2	19%	0.188	60%	0.603	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-135	130.7	179.8	-176.9	0	0	0	0	109.5	Q29 C50 S51 C117 A119	Q29-V31 WeakPolarHBondContact CG-O 3.45Å; Q29-V31 PolarHBondContact O-N 2.93Å; V31-C50 WeakPolarHBondContact CG1-SG 3.06Å; V31-S51 CarbonylContact C-O 3.54Å; V31-S51 VanDerWaalsContact CA-O 3.3Å; V31-S51 WeakPolarHBondContact CA-O 3.34Å; V31-C117 HydrophobicContact CG1-CB 4.39Å; V31-A119 HydrophobicContact CG2-CB 3.66Å
32	R	97.5	Very high	82	Confident	133 Å²	133	126.3 Å²	126.3	50%	0.502	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.2	137.5	179.6	-44.2	-168.5	179.7	-175.4	2.6	110.4	Q29 C50 S51 E53	Q29-R32 HydrophobicContact CG-CG 4.42Å; R32-C50 CarbonylContact O-C 3.59Å; R32-C50 VanDerWaalsContact O-CA 3.31Å; R32-C50 WeakPolarHBondContact O-CA 3.42Å; R32-S51 PolarHBondContact N-O 2.94Å; R32-S51 PolarHBondContact O-N 2.85Å; R32-E53 IonicContact CZ-OE1 3.24Å; R32-E53 IonicContact NE-OE1 2.7Å; R32-E53 IonicContact NH2-OE1 2.69Å; R32-E53 PolarHBondContact NH2-OE1 3.21Å
33	Q	98.1	Very high	84.1	Confident	75 Å²	75	118.9 Å²	118.9	35%	0.35	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.7	150.3	179.5	-74.8	175.6	-123.5	0	0	112.5	N49 C50 Y115 C117	Q33-N49 CarbonylContact C-O 3.59Å; Q33-N49 VanDerWaalsContact CA-O 3.25Å; Q33-N49 WeakPolarHBondContact CA-O 3.33Å; Q33-C50 HydrophobicContact CG-CB 4.44Å; Q33-Y115 PolarHBondContact NE2-O 3.26Å; Q33-C117 VanDerWaalsContact CD-N 3.34Å; Q33-C117 HydrophobicContact CG-CB 3.78Å
34	S	98.3	Very high	86.2	Confident	63 Å²	63	114.3 Å²	114.3	44%	0.441	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-153.4	148.3	172.7	59.5	0	0	0	0	112.1	N49	S34-N49 PolarHBondContact N-O 2.92Å; S34-N49 WeakPolarHBondContact O-CA 3.36Å; S34-N49 WeakPolarHBondContact O-CB 3.45Å; S34-N49 PolarHBondContact O-N 3.46Å
35	P	98.3	Very high	88.4	Confident	57 Å²	57	109.2 Å²	109.2	37%	0.37	54%	0.542	S	S	.	.			cis	-69.8	169.5	-10.5	34.3	-38.1	0	0	0	111.8	S37 L38	P35-S37 VanDerWaalsContact C-N 3.32Å; P35-S37 WeakPolarHBondContact CB-O 3.47Å; P35-S37 WeakPolarHBondContact CG-O 3.37Å; P35-L38 HydrophobicContact CG-CB 3.94Å; P35-L38 HydrophobicContact CG-CD1 4.31Å
36	Q	97.2	Very high	90.6	Very high	203 Å²	203	102.3 Å²	102.3	95%	0.949	51%	0.513	S	S	*	.	S	Bend	trans	-73	-27.2	175.5	-70.9	-178.1	-4.7	0	0	112.7
37	S	98	Very high	92.8	Very high	98 Å²	98	94.3 Å²	94.3	69%	0.685	49%	0.488	S	S	*	.	S	Bend	trans	-145.3	143	174.9	-177	0	0	0	0	107.9	P35	P35-S37 VanDerWaalsContact C-N 3.32Å; P35-S37 WeakPolarHBondContact CB-O 3.47Å; P35-S37 WeakPolarHBondContact CG-O 3.37Å
38	L	98.2	Very high	94.8	Very high	75 Å²	75	90.5 Å²	90.5	39%	0.393	47%	0.467	S	S	.	.			trans	-136.8	136	-179.7	179.9	63	0	0	0	108.2	P35 V40 A46 L48	P35-L38 HydrophobicContact CG-CB 3.94Å; P35-L38 HydrophobicContact CG-CD1 4.31Å; L38-V40 HydrophobicContact CD1-CG1 4.16Å; L38-V40 HydrophobicContact CD2-CG1 4.15Å; L38-V40 HydrophobicContact CG-CG1 3.97Å; L38-A46 HydrophobicContact CD2-CB 3.82Å; L38-L48 HydrophobicContact CB-CD2 4.4Å; L38-L48 HydrophobicContact CD2-CD2 4.11Å
39	T	98.4	Very high	96.5	Very high	131 Å²	131	86.4 Å²	86.4	80%	0.804	45%	0.45	S	S	*	.			trans	-124.1	131.4	170.6	-55.6	0	0	0	0	107.4
40	V	97.9	Very high	97.8	Very high	49 Å²	49	81.5 Å²	81.5	30%	0.297	43%	0.427	S	S	.	.			trans	-135.1	157.4	179.5	-64.8	0	0	0	0	109.4	L38 E44 A46	L38-V40 HydrophobicContact CD1-CG1 4.16Å; L38-V40 HydrophobicContact CD2-CG1 4.15Å; L38-V40 HydrophobicContact CG-CG1 3.97Å; V40-E44 HydrophobicContact CB-CB 4.34Å; V40-A46 HydrophobicContact CG1-CB 4.11Å; V40-A46 HydrophobicContact CG2-CB 4.1Å
41	W	98.3	Very high	98.2	Very high	204 Å²	204	79.8 Å²	79.8	77%	0.773	42%	0.424	S	S	*	.			trans	-79.9	156.8	171.6	-61	104.7	0	0	0	111.4	G43 E44	W41-G43 PolarHBondContact O-N 2.91Å; W41-E44 HydrophobicContact CB-CG 3.96Å; W41-E44 PolarHBondContact N-OE2 2.8Å; W41-E44 WeakPolarHBondContact O-CB 3.29Å; W41-E44 PolarHBondContact O-N 3.05Å; W41-E44 VanDerWaalsContact O-N 3.1Å
42	E	98.3	Very high	98.3	Very high	147 Å²	147	78.8 Å²	78.8	69%	0.687	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	136.8	172	-172.3	174.3	-177.4	0	0	110.4	E44 S107	E42-E44 VanDerWaalsContact C-N 3.25Å; E42-E44 PolarHBondContact O-N 2.95Å; E42-S107 CarbonylContact C-O 3.6Å; E42-S107 VanDerWaalsContact CA-O 3.29Å; E42-S107 WeakPolarHBondContact CA-O 3.35Å; E42-S107 WeakPolarHBondContact CG-O 3.46Å
43	G	98.5	Very high	98.2	Very high	41 Å²	41	76.8 Å²	76.8	42%	0.423	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-15.2	-175.3	0	0	0	0	0	115.1	W41 S107	W41-G43 PolarHBondContact O-N 2.91Å; G43-S107 PolarHBondContact N-O 2.81Å
44	E	98.6	Very high	98	Very high	90 Å²	90	76.2 Å²	76.2	42%	0.421	41%	0.412	S	S	.	.	S	Bend	trans	-74.3	167.6	176.6	-67.7	-172.1	144	0	0	112.2	V40 W41 E42 S107	V40-E44 HydrophobicContact CB-CB 4.34Å; W41-E44 HydrophobicContact CB-CG 3.96Å; W41-E44 PolarHBondContact N-OE2 2.8Å; W41-E44 WeakPolarHBondContact O-CB 3.29Å; W41-E44 PolarHBondContact O-N 3.05Å; W41-E44 VanDerWaalsContact O-N 3.1Å; E42-E44 VanDerWaalsContact C-N 3.25Å; E42-E44 PolarHBondContact O-N 2.95Å; E44-S107 VanDerWaalsContact O-CB 3.23Å; E44-S107 WeakPolarHBondContact O-CB 3.07Å; E44-S107 PolarHBondContact O-N 3.17Å; E44-S107 PolarHBondContact O-OG 3.31Å
45	T	98.7	Very high	97.8	Very high	67 Å²	67	76.8 Å²	76.8	41%	0.411	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-94	117.5	172.6	-56.7	0	0	0	0	110.5	I47 H103 I104 T105	T45-I47 HydrophobicContact CG2-CG1 4.02Å; T45-H103 HydrophobicContact CG2-CB 4.38Å; T45-I104 CarbonylContact C-O 3.55Å; T45-I104 VanDerWaalsContact CA-O 3.31Å; T45-I104 WeakPolarHBondContact CA-O 3.44Å; T45-T105 HydrophobicContact CG2-CG2 4.25Å
46	A	98.7	Very high	97.7	Very high	9 Å²	9	77.6 Å²	77.6	7%	0.074	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	135.8	167.7	0	0	0	0	0	110.5	L38 V40 H103 I104	L38-A46 HydrophobicContact CD2-CB 3.82Å; V40-A46 HydrophobicContact CG1-CB 4.11Å; V40-A46 HydrophobicContact CG2-CB 4.1Å; A46-H103 WeakPolarHBondContact O-CA 3.23Å; A46-I104 HydrophobicContact CB-CB 4.23Å; A46-I104 PolarHBondContact N-O 3.08Å; A46-I104 PolarHBondContact O-N 3.1Å
47	I	98.8	Very high	97.7	Very high	68 Å²	68	68.7 Å²	68.7	35%	0.349	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118	179.6	-56.4	176.6	0	0	0	109.5	T45 L102	T45-I47 HydrophobicContact CG2-CG1 4.02Å; I47-L102 WeakPolarHBondContact CA-O 3.46Å
48	L	98.9	Very high	97.6	Very high	22 Å²	22	68.3 Å²	68.3	12%	0.115	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.3	173.3	-59.8	172.3	0	0	0	108.9	L38 W62 S101 L102 Y115	L38-L48 HydrophobicContact CB-CD2 4.4Å; L38-L48 HydrophobicContact CD2-CD2 4.11Å; L48-W62 HydrophobicContact CB-CH2 3.75Å; L48-W62 HydrophobicContact CB-CZ3 3.97Å; L48-W62 HydrophobicContact CD1-CZ3 4.26Å; L48-S101 CarbonylContact O-C 3.47Å; L48-S101 WeakPolarHBondContact O-CA 3.41Å; L48-L102 HydrophobicContact CB-CB 4.43Å; L48-L102 HydrophobicContact CD1-CD2 4.38Å; L48-L102 PolarHBondContact N-O 3.35Å; L48-L102 PolarHBondContact O-N 3.44Å; L48-Y115 HydrophobicContact CD1-CD1 4.37Å; L48-Y115 HydrophobicContact CD1-CD2 3.86Å; L48-Y115 HydrophobicContact CD1-CG 3.67Å
49	N	98.7	Very high	97.6	Very high	70 Å²	70	67.9 Å²	67.9	37%	0.374	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	145.8	-178.8	-61	-76	0	0	0	110.5	Q33 S34	Q33-N49 CarbonylContact C-O 3.59Å; Q33-N49 VanDerWaalsContact CA-O 3.25Å; Q33-N49 WeakPolarHBondContact CA-O 3.33Å; S34-N49 PolarHBondContact N-O 2.92Å; S34-N49 WeakPolarHBondContact O-CA 3.36Å; S34-N49 WeakPolarHBondContact O-CB 3.45Å; S34-N49 PolarHBondContact O-N 3.46Å
50	C	98.5	Very high	97.6	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.02	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	140	177	-176.4	0	0	0	0	109.6	V31 R32 Q33 W62 K99 L100 C117	V31-C50 WeakPolarHBondContact CG1-SG 3.06Å; R32-C50 CarbonylContact O-C 3.59Å; R32-C50 VanDerWaalsContact O-CA 3.31Å; R32-C50 WeakPolarHBondContact O-CA 3.42Å; Q33-C50 HydrophobicContact CG-CB 4.44Å; C50-W62 HydrophobicContact CB-CH2 3.97Å; C50-W62 HydrophobicContact CB-CZ2 3.57Å; C50-K99 CarbonylContact O-C 3.5Å; C50-K99 VanDerWaalsContact O-CA 3.31Å; C50-K99 WeakPolarHBondContact O-CA 3.27Å; C50-L100 HydrophobicContact CB-CD1 3.62Å; C50-L100 PolarHBondContact N-O 2.88Å; C50-L100 PolarHBondContact O-N 3.4Å; C50-L100 VanDerWaalsContact O-O 3.04Å; C50-L100 VanDerWaalsContact SG-CD1 3.54Å; C50-C117 HydrophobicContact CB-CB 3.61Å; C50-C117 WeakPolarHBondContact CB-SG 3.49Å; C50-C117 WeakPolarHBondContact SG-CB 3.33Å; C50-C117 CovalentContact SG-SG 2.03Å; C50-C117 PolarHBondContact SG-SG 2.85Å
51	S	98.1	Very high	97.7	Very high	40 Å²	40	59.5 Å²	59.5	28%	0.28	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	148.4	174.5	62.5	0	0	0	0	109.8	V31 R32 K98	V31-S51 CarbonylContact C-O 3.54Å; V31-S51 VanDerWaalsContact CA-O 3.3Å; V31-S51 WeakPolarHBondContact CA-O 3.34Å; R32-S51 PolarHBondContact N-O 2.94Å; R32-S51 PolarHBondContact O-N 2.85Å; S51-K98 VanDerWaalsContact CA-O 3.29Å; S51-K98 WeakPolarHBondContact CA-O 3.39Å
52	Y	97.2	Very high	97.7	Very high	10 Å²	10	49.8 Å²	49.8	4%	0.039	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	156.5	-178.5	68.1	-82	0	0	0	112.3	Q30 N54 F57 F60 F93 K98 L100	Q30-Y52 CarbonylContact O-C 3.6Å; Q30-Y52 WeakPolarHBondContact O-CA 3.25Å; Q30-Y52 WeakPolarHBondContact O-CB 3.31Å; Y52-N54 WeakPolarHBondContact CD2-O 3.31Å; Y52-N54 VanDerWaalsContact CE2-O 3.3Å; Y52-N54 WeakPolarHBondContact CE2-O 3.17Å; Y52-F57 HydrophobicContact CD2-CB 4.42Å; Y52-F57 AromaticContact CD2-CD2 3.97Å; Y52-F57 HydrophobicContact CD2-CD2 3.97Å; Y52-F60 HydrophobicContact CD1-CD1 4.45Å; Y52-F60 AromaticContact CD1-CE1 3.71Å; Y52-F60 HydrophobicContact CD1-CE1 3.71Å; Y52-F60 HydrophobicContact CD1-CZ 4.37Å; Y52-F60 HydrophobicContact CD2-CE1 4.04Å; Y52-F60 HydrophobicContact CD2-CZ 4.46Å; Y52-F60 AromaticContact CE1-CE1 3.7Å; Y52-F60 HydrophobicContact CE1-CE1 3.7Å; Y52-F60 AromaticContact CE1-CZ 3.9Å; Y52-F60 HydrophobicContact CE1-CZ 3.9Å; Y52-F60 HydrophobicContact CE2-CE1 4.02Å; Y52-F60 AromaticContact CE2-CZ 3.98Å; Y52-F60 HydrophobicContact CE2-CZ 3.98Å; Y52-F60 AromaticContact CG-CE1 3.89Å; Y52-F60 HydrophobicContact CG-CE1 3.89Å; Y52-F60 AromaticContact CZ-CE1 3.85Å; Y52-F60 AromaticContact CZ-CZ 3.69Å; Y52-F93 AromaticContact CE1-CE2 3.71Å; Y52-F93 HydrophobicContact CE1-CE2 3.71Å; Y52-F93 HydrophobicContact CE1-CZ 4.37Å; Y52-F93 WeakPolarHBondContact OH-CZ 3Å; Y52-K98 HydrophobicContact CD1-CB 4Å; Y52-K98 VanDerWaalsContact CD1-O 3.25Å; Y52-K98 WeakPolarHBondContact CD1-O 3.42Å; Y52-K98 HydrophobicContact CD2-CB 4.31Å; Y52-K98 HydrophobicContact CE1-CB 3.7Å; Y52-K98 HydrophobicContact CE1-CG 4.48Å; Y52-K98 HydrophobicContact CE2-CB 4.05Å; Y52-K98 HydrophobicContact CE2-CD 4.43Å; Y52-K98 HydrophobicContact CE2-CG 4.13Å; Y52-K98 HydrophobicContact CG-CB 4.29Å; Y52-K98 PolarHBondContact N-O 2.78Å; Y52-K98 WeakPolarHBondContact O-CB 3.29Å; Y52-K98 WeakPolarHBondContact O-CD 3.3Å; Y52-L100 HydrophobicContact CD1-CD1 4.16Å
53	E	95.9	Very high	97.7	Very high	90 Å²	90	46.3 Å²	46.3	42%	0.421	26%	0.263	S	S	.	.			trans	-100.2	-44.9	-173.9	-63.7	-177	179.6	0	0	112.2	Q30 R32 S55 K98	Q30-E53 PolarHBondContact O-N 2.68Å; R32-E53 IonicContact CZ-OE1 3.24Å; R32-E53 IonicContact NE-OE1 2.7Å; R32-E53 IonicContact NH2-OE1 2.69Å; R32-E53 PolarHBondContact NH2-OE1 3.21Å; E53-S55 PolarHBondContact O-N 3.36Å; E53-K98 PolarHBondContact O-NZ 2.82Å
54	N	95.1	Very high	97.7	Very high	63 Å²	63	45.7 Å²	45.7	34%	0.337	25%	0.249	S	C	.	.			trans	-77.3	119.7	-174.2	-174.2	-1.5	0	0	0	112.1	Y52 A56 F57	Y52-N54 WeakPolarHBondContact CD2-O 3.31Å; Y52-N54 VanDerWaalsContact CE2-O 3.3Å; Y52-N54 WeakPolarHBondContact CE2-O 3.17Å; N54-A56 VanDerWaalsContact C-N 3.25Å; N54-A56 PolarHBondContact O-N 3.46Å; N54-A56 VanDerWaalsContact OD1-CB 3.3Å; N54-A56 WeakPolarHBondContact OD1-CB 3.27Å; N54-A56 PolarHBondContact OD1-N 2.88Å; N54-F57 HydrophobicContact CB-CD1 4.29Å; N54-F57 HydrophobicContact CB-CD2 3.75Å; N54-F57 HydrophobicContact CB-CE1 4.19Å; N54-F57 HydrophobicContact CB-CE2 3.64Å; N54-F57 HydrophobicContact CB-CG 4.13Å; N54-F57 HydrophobicContact CB-CZ 3.91Å; N54-F57 WeakPolarHBondContact O-CD2 3.15Å; N54-F57 PolarHBondContact O-N 2.97Å
55	S	94.2	Very high	97.7	Very high	75 Å²	75	43.9 Å²	43.9	52%	0.524	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-8.4	-178.3	-50.3	0	0	0	0	114.1	E53 F57 K98	E53-S55 PolarHBondContact O-N 3.36Å; S55-F57 VanDerWaalsContact C-N 3.29Å; S55-K98 WeakPolarHBondContact OG-CE 3.43Å; S55-K98 PolarHBondContact OG-NZ 2.92Å
56	A	95.6	Very high	97.7	Very high	74 Å²	74	44 Å²	44	61%	0.612	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-18.5	174.4	0	0	0	0	0	112.8	N54 D58	N54-A56 VanDerWaalsContact C-N 3.25Å; N54-A56 PolarHBondContact O-N 3.46Å; N54-A56 VanDerWaalsContact OD1-CB 3.3Å; N54-A56 WeakPolarHBondContact OD1-CB 3.27Å; N54-A56 PolarHBondContact OD1-N 2.88Å; A56-D58 PolarHBondContact O-N 3.06Å
57	F	96.5	Very high	97.7	Very high	17 Å²	17	49.2 Å²	49.2	8%	0.075	27%	0.269	C	S	.	.			trans	-64.1	130.7	178.2	-63.5	-29	0	0	0	111.6	Q30 Y52 N54 S55 F60 A119 S120	Q30-F57 HydrophobicContact CB-CE2 4.04Å; Q30-F57 HydrophobicContact CB-CZ 4.31Å; Y52-F57 HydrophobicContact CD2-CB 4.42Å; Y52-F57 AromaticContact CD2-CD2 3.97Å; Y52-F57 HydrophobicContact CD2-CD2 3.97Å; N54-F57 HydrophobicContact CB-CD1 4.29Å; N54-F57 HydrophobicContact CB-CD2 3.75Å; N54-F57 HydrophobicContact CB-CE1 4.19Å; N54-F57 HydrophobicContact CB-CE2 3.64Å; N54-F57 HydrophobicContact CB-CG 4.13Å; N54-F57 HydrophobicContact CB-CZ 3.91Å; N54-F57 WeakPolarHBondContact O-CD2 3.15Å; N54-F57 PolarHBondContact O-N 2.97Å; S55-F57 VanDerWaalsContact C-N 3.29Å; F57-F60 HydrophobicContact CB-CE1 3.94Å; F57-F60 HydrophobicContact CB-CZ 3.97Å; F57-F60 WeakPolarHBondContact O-CZ 3.31Å; F57-A119 HydrophobicContact CB-CB 4.11Å; F57-A119 HydrophobicContact CD2-CB 3.35Å; F57-A119 HydrophobicContact CE2-CB 3.72Å; F57-A119 HydrophobicContact CG-CB 3.87Å; F57-S120 CarbonylContact C-O 3.48Å; F57-S120 WeakPolarHBondContact CA-O 3.23Å; F57-S120 WeakPolarHBondContact CD1-OXT 3.42Å
58	D	97.1	Very high	97.6	Very high	90 Å²	90	50.4 Å²	50.4	48%	0.481	30%	0.298	S	S	.	.			trans	-128.6	-6	-177.1	77.1	1.9	0	0	0	114.2	A56 R78 S79 S120	A56-D58 PolarHBondContact O-N 3.06Å; D58-R78 CarbonylContact O-C 3.47Å; D58-R78 VanDerWaalsContact O-CA 3.23Å; D58-R78 WeakPolarHBondContact O-CA 3.44Å; D58-S79 PolarHBondContact O-N 2.85Å; D58-S120 PolarHBondContact N-O 2.94Å
59	Y	98.4	Very high	97.6	Very high	65 Å²	65	54.9 Å²	54.9	26%	0.255	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.1	177.6	-177.3	-110.5	0	0	0	111.2	P61 A76 R78 A119 S120	Y59-P61 HydrophobicContact CD1-CG 4.14Å; Y59-P61 HydrophobicContact CE1-CB 3.93Å; Y59-P61 HydrophobicContact CE1-CG 3.74Å; Y59-A76 HydrophobicContact CE2-CB 3.57Å; Y59-A76 VanDerWaalsContact OH-CB 3.26Å; Y59-A76 WeakPolarHBondContact OH-CB 3.48Å; Y59-R78 HydrophobicContact CD2-CG 4.09Å; Y59-A119 WeakPolarHBondContact O-CA 3.29Å; Y59-S120 PolarHBondContact N-O 2.94Å; Y59-S120 PolarHBondContact O-N 2.81Å
60	F	98.4	Very high	97.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	88.6	-172.2	-53.2	-88.4	0	0	0	111.3	Y52 F57 A76 I77 F93 L100 A118 A119	Y52-F60 HydrophobicContact CD1-CD1 4.45Å; Y52-F60 AromaticContact CD1-CE1 3.71Å; Y52-F60 HydrophobicContact CD1-CE1 3.71Å; Y52-F60 HydrophobicContact CD1-CZ 4.37Å; Y52-F60 HydrophobicContact CD2-CE1 4.04Å; Y52-F60 HydrophobicContact CD2-CZ 4.46Å; Y52-F60 AromaticContact CE1-CE1 3.7Å; Y52-F60 HydrophobicContact CE1-CE1 3.7Å; Y52-F60 AromaticContact CE1-CZ 3.9Å; Y52-F60 HydrophobicContact CE1-CZ 3.9Å; Y52-F60 HydrophobicContact CE2-CE1 4.02Å; Y52-F60 AromaticContact CE2-CZ 3.98Å; Y52-F60 HydrophobicContact CE2-CZ 3.98Å; Y52-F60 AromaticContact CG-CE1 3.89Å; Y52-F60 HydrophobicContact CG-CE1 3.89Å; Y52-F60 AromaticContact CZ-CE1 3.85Å; Y52-F60 AromaticContact CZ-CZ 3.69Å; F57-F60 HydrophobicContact CB-CE1 3.94Å; F57-F60 HydrophobicContact CB-CZ 3.97Å; F57-F60 WeakPolarHBondContact O-CZ 3.31Å; F60-A76 WeakPolarHBondContact O-CA 3.38Å; F60-I77 HydrophobicContact CB-CG2 4.01Å; F60-I77 HydrophobicContact CD2-CG2 4.45Å; F60-I77 PolarHBondContact N-O 3.44Å; F60-I77 PolarHBondContact O-N 2.81Å; F60-I77 VanDerWaalsContact O-N 3.15Å; F60-F93 HydrophobicContact CD2-CD2 4.35Å; F60-F93 AromaticContact CD2-CE2 3.88Å; F60-F93 HydrophobicContact CD2-CE2 3.88Å; F60-F93 HydrophobicContact CD2-CZ 4.23Å; F60-F93 HydrophobicContact CE1-CE2 4.19Å; F60-F93 HydrophobicContact CE2-CD2 4.3Å; F60-F93 HydrophobicContact CE2-CE1 4.34Å; F60-F93 AromaticContact CE2-CE2 3.42Å; F60-F93 HydrophobicContact CE2-CE2 3.42Å; F60-F93 VanDerWaalsContact CE2-CE2 3.42Å; F60-F93 AromaticContact CE2-CZ 3.45Å; F60-F93 HydrophobicContact CE2-CZ 3.45Å; F60-F93 VanDerWaalsContact CE2-CZ 3.45Å; F60-F93 HydrophobicContact CG-CE2 4.45Å; F60-F93 AromaticContact CZ-CE2 3.6Å; F60-F93 HydrophobicContact CZ-CE2 3.6Å; F60-F93 AromaticContact CZ-CZ 3.76Å; F60-F93 HydrophobicContact CZ-CZ 3.76Å; F60-L100 HydrophobicContact CB-CD2 3.29Å; F60-L100 HydrophobicContact CD1-CD1 4.3Å; F60-L100 HydrophobicContact CD1-CD2 3.59Å; F60-L100 HydrophobicContact CD1-CG 4.48Å; F60-L100 HydrophobicContact CD2-CD2 3.96Å; F60-L100 HydrophobicContact CE1-CD2 4.37Å; F60-L100 HydrophobicContact CG-CD2 3.34Å; F60-A118 WeakPolarHBondContact CA-O 3.31Å; F60-A119 HydrophobicContact CD1-CB 3.58Å; F60-A119 HydrophobicContact CE1-CB 3.69Å
61	P	98.5	Very high	97.5	Very high	4 Å²	4	57.4 Å²	57.4	3%	0.026	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	145.9	175.8	32.7	-33.1	0	0	0	112.1	Y59 Y63 L73 A76 A118	Y59-P61 HydrophobicContact CD1-CG 4.14Å; Y59-P61 HydrophobicContact CE1-CB 3.93Å; Y59-P61 HydrophobicContact CE1-CG 3.74Å; P61-Y63 HydrophobicContact CB-CE2 3.83Å; P61-Y63 HydrophobicContact CG-CE2 3.69Å; P61-L73 HydrophobicContact CB-CD1 3.59Å; P61-A76 HydrophobicContact CB-CB 3.98Å; P61-A118 WeakPolarHBondContact CD-O 3.41Å; P61-A118 HydrophobicContact CG-CB 4.1Å; P61-A118 PolarHBondContact O-N 2.78Å
62	W	98.8	Very high	97.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.6	162.3	-75.4	84.2	0	0	0	109.7	L48 C50 L74 I75 L102 F116 C117	L48-W62 HydrophobicContact CB-CH2 3.75Å; L48-W62 HydrophobicContact CB-CZ3 3.97Å; L48-W62 HydrophobicContact CD1-CZ3 4.26Å; C50-W62 HydrophobicContact CB-CH2 3.97Å; C50-W62 HydrophobicContact CB-CZ2 3.57Å; W62-L74 WeakPolarHBondContact O-CB 3.39Å; W62-L74 PolarHBondContact O-N 2.91Å; W62-I75 HydrophobicContact CB-CG2 4.29Å; W62-I75 PolarHBondContact N-O 2.79Å; W62-I75 PolarHBondContact O-N 3.06Å; W62-L102 HydrophobicContact CB-CD2 4.35Å; W62-L102 HydrophobicContact CD2-CB 3.81Å; W62-L102 HydrophobicContact CD2-CD2 3.89Å; W62-L102 HydrophobicContact CD2-CG 4.39Å; W62-L102 HydrophobicContact CE3-CB 4.14Å; W62-L102 HydrophobicContact CE3-CD2 3.76Å; W62-L102 HydrophobicContact CG-CB 4.32Å; W62-L102 HydrophobicContact CG-CD2 4.17Å; W62-L102 HydrophobicContact CH2-CB 4.1Å; W62-L102 HydrophobicContact CZ2-CB 3.79Å; W62-L102 HydrophobicContact CZ3-CB 4.27Å; W62-L102 HydrophobicContact CZ3-CD2 4.32Å; W62-F116 CarbonylContact C-O 3.58Å; W62-F116 VanDerWaalsContact CA-O 3.27Å; W62-F116 WeakPolarHBondContact CA-O 3.37Å; W62-C117 HydrophobicContact CD2-CB 4.02Å; W62-C117 HydrophobicContact CE3-CB 3.97Å; W62-C117 HydrophobicContact CH2-CB 3.76Å; W62-C117 HydrophobicContact CZ2-CB 3.78Å; W62-C117 HydrophobicContact CZ3-CB 3.84Å
63	Y	98.7	Very high	97.6	Very high	74 Å²	74	62.5 Å²	62.5	29%	0.29	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	147.6	175.9	-59.3	-94.7	0	0	0	110.2	P61 P71 A72 L73 Y115 F116 A118	P61-Y63 HydrophobicContact CB-CE2 3.83Å; P61-Y63 HydrophobicContact CG-CE2 3.69Å; Y63-P71 HydrophobicContact CD1-CB 4.46Å; Y63-P71 HydrophobicContact CG-CB 4.49Å; Y63-A72 CarbonylContact C-O 3.58Å; Y63-A72 WeakPolarHBondContact CA-O 3.37Å; Y63-A72 WeakPolarHBondContact CB-O 3.21Å; Y63-L73 HydrophobicContact CD1-CB 4.32Å; Y63-L73 HydrophobicContact CE1-CB 4.19Å; Y63-L73 HydrophobicContact CE1-CD1 4.15Å; Y63-Y115 CarbonylContact O-C 3.49Å; Y63-Y115 VanDerWaalsContact O-CA 3.29Å; Y63-Y115 WeakPolarHBondContact O-CA 3.3Å; Y63-F116 PolarHBondContact N-O 3.37Å; Y63-F116 PolarHBondContact O-N 2.7Å; Y63-A118 HydrophobicContact CE2-CB 4.24Å
64	Q	98.6	Very high	97.7	Very high	28 Å²	28	59.7 Å²	59.7	13%	0.131	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.7	170.9	-173.4	-177.9	37.5	0	0	108.7	F66 A72 L74 A113 T114 Y115	Q64-F66 HydrophobicContact CG-CZ 4.37Å; Q64-A72 PolarHBondContact N-O 2.74Å; Q64-A72 PolarHBondContact O-N 2.91Å; Q64-L74 HydrophobicContact CB-CB 4.31Å; Q64-A113 HydrophobicContact CG-CB 3.54Å; Q64-T114 CarbonylContact C-O 3.55Å; Q64-Y115 HydrophobicContact CB-CD1 4.33Å; Q64-Y115 HydrophobicContact CB-CE1 4.12Å; Q64-Y115 HydrophobicContact CG-CD1 4.39Å; Q64-Y115 HydrophobicContact CG-CE1 3.87Å; Q64-Y115 PolarHBondContact NE2-OH 3.01Å
65	Q	98.7	Very high	97.9	Very high	52 Å²	52	57.1 Å²	57.1	24%	0.243	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	113.5	176.4	-176.6	-179.6	29.2	0	0	109.9	E69 P71 A113 T114 F116	Q65-E69 WeakPolarHBondContact CG-O 3.4Å; Q65-E69 PolarHBondContact NE2-O 2.82Å; Q65-P71 HydrophobicContact CB-CG 4.5Å; Q65-A113 WeakPolarHBondContact O-CB 3.26Å; Q65-T114 PolarHBondContact N-O 3.43Å; Q65-T114 PolarHBondContact O-N 3.05Å; Q65-F116 HydrophobicContact CB-CD2 4.5Å; Q65-F116 HydrophobicContact CB-CE2 3.76Å; Q65-F116 VanDerWaalsContact OE1-CZ 3.3Å
66	F	98.3	Very high	98.1	Very high	70 Å²	70	54.6 Å²	54.6	31%	0.307	34%	0.336	S	S	.	.			trans	-75.8	155.1	169.9	-66.4	-63.2	0	0	0	111.4	Q64 G68 E69 G110 A113	Q64-F66 HydrophobicContact CG-CZ 4.37Å; F66-G68 PolarHBondContact O-N 2.95Å; F66-E69 HydrophobicContact CB-CB 4.37Å; F66-E69 HydrophobicContact CB-CG 4.26Å; F66-E69 PolarHBondContact O-N 2.91Å; F66-G110 WeakPolarHBondContact CE1-O 3.21Å; F66-A113 HydrophobicContact CD1-CB 3.92Å; F66-A113 HydrophobicContact CE1-CB 3.98Å
67	P	97.6	Very high	98.3	Very high	119 Å²	119	51.3 Å²	51.3	77%	0.773	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	124.4	175.8	-25.9	35.1	0	0	0	112.3	E69	P67-E69 VanDerWaalsContact C-N 3.31Å
68	G	97.8	Very high	98.3	Very high	92 Å²	92	58.2 Å²	58.2	95%	0.948	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-3.6	179.7	0	0	0	0	0	115.2	F66	F66-G68 PolarHBondContact O-N 2.95Å
69	E	97.9	Very high	98.3	Very high	117 Å²	117	54.9 Å²	54.9	55%	0.547	32%	0.318	S	S	.	.	S	Bend	trans	-104.5	170.5	177.5	-63	-175.3	-159.5	0	0	112.2	Q65 F66 P67	Q65-E69 WeakPolarHBondContact CG-O 3.4Å; Q65-E69 PolarHBondContact NE2-O 2.82Å; F66-E69 HydrophobicContact CB-CB 4.37Å; F66-E69 HydrophobicContact CB-CG 4.26Å; F66-E69 PolarHBondContact O-N 2.91Å; P67-E69 VanDerWaalsContact C-N 3.31Å
70	G	97.7	Very high	98.3	Very high	48 Å²	48	57.9 Å²	57.9	50%	0.495	34%	0.342	S	S	.	.			trans	-85.6	162	169.5	0	0	0	0	0	112	A72	G70-A72 PolarHBondContact O-N 2.8Å
71	P	98.3	Very high	98.3	Very high	77 Å²	77	60.4 Å²	60.4	50%	0.5	36%	0.36	S	S	.	.			trans	-62.6	125.7	172.9	-20.4	32.7	0	0	0	111.6	Y63 Q65 F116	Y63-P71 HydrophobicContact CD1-CB 4.46Å; Y63-P71 HydrophobicContact CG-CB 4.49Å; Q65-P71 HydrophobicContact CB-CG 4.5Å; P71-F116 HydrophobicContact CB-CD2 4.41Å; P71-F116 HydrophobicContact CG-CE2 4.27Å
72	A	98.6	Very high	98.2	Very high	56 Å²	56	65.8 Å²	65.8	46%	0.463	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	143.7	174.6	0	0	0	0	0	110.3	Y63 Q64 G70 L74	Y63-A72 CarbonylContact C-O 3.58Å; Y63-A72 WeakPolarHBondContact CA-O 3.37Å; Y63-A72 WeakPolarHBondContact CB-O 3.21Å; Q64-A72 PolarHBondContact N-O 2.74Å; Q64-A72 PolarHBondContact O-N 2.91Å; G70-A72 PolarHBondContact O-N 2.8Å; A72-L74 PolarHBondContact O-N 2.81Å
73	L	98.6	Very high	98.2	Very high	101 Å²	101	70.3 Å²	70.3	53%	0.529	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	123.9	177.3	179.8	67.9	0	0	0	109.3	P61 Y63 A76	P61-L73 HydrophobicContact CB-CD1 3.59Å; Y63-L73 HydrophobicContact CD1-CB 4.32Å; Y63-L73 HydrophobicContact CE1-CB 4.19Å; Y63-L73 HydrophobicContact CE1-CD1 4.15Å; L73-A76 HydrophobicContact CD1-CB 4.41Å
74	L	98.6	Very high	98.2	Very high	31 Å²	31	71.5 Å²	71.5	16%	0.162	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-61.6	177.4	177.6	68.2	0	0	0	110.5	W62 Q64 A72 F89 L102 Y115	W62-L74 WeakPolarHBondContact O-CB 3.39Å; W62-L74 PolarHBondContact O-N 2.91Å; Q64-L74 HydrophobicContact CB-CB 4.31Å; A72-L74 PolarHBondContact O-N 2.81Å; L74-F89 HydrophobicContact CD1-CD1 4.12Å; L74-F89 HydrophobicContact CD1-CD2 4.1Å; L74-F89 HydrophobicContact CD1-CE1 3.96Å; L74-F89 HydrophobicContact CD1-CE2 3.93Å; L74-F89 HydrophobicContact CD1-CG 4.2Å; L74-F89 HydrophobicContact CD1-CZ 3.87Å; L74-F89 HydrophobicContact CD2-CD1 3.75Å; L74-F89 HydrophobicContact CD2-CE1 3.94Å; L74-F89 HydrophobicContact CD2-CG 4.34Å; L74-F89 HydrophobicContact CG-CD1 4.25Å; L74-F89 HydrophobicContact CG-CE1 4.46Å; L74-F89 HydrophobicContact CG-CG 4.4Å; L74-L102 HydrophobicContact CD2-CD1 4.44Å; L74-L102 HydrophobicContact CD2-CD2 3.91Å; L74-Y115 HydrophobicContact CD2-CD1 4.01Å; L74-Y115 HydrophobicContact CD2-CE1 3.74Å
75	I	98.8	Very high	98.2	Very high	9 Å²	9	75.1 Å²	75.1	5%	0.046	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	151.6	-176.3	-171.7	172	0	0	0	109	W62 K84 D86 F89 I91 L102	W62-I75 HydrophobicContact CB-CG2 4.29Å; W62-I75 PolarHBondContact N-O 2.79Å; W62-I75 PolarHBondContact O-N 3.06Å; I75-K84 HydrophobicContact CD1-CG 3.96Å; I75-K84 HydrophobicContact CG1-CG 4Å; I75-D86 HydrophobicContact CD1-CB 3.76Å; I75-D86 HydrophobicContact CG1-CB 4.44Å; I75-F89 HydrophobicContact CD1-CB 4.32Å; I75-F89 HydrophobicContact CG2-CB 4.48Å; I75-I91 HydrophobicContact CB-CD1 4.22Å; I75-I91 HydrophobicContact CD1-CD1 4.45Å; I75-I91 HydrophobicContact CD1-CG1 4.41Å; I75-I91 HydrophobicContact CG1-CD1 3.96Å; I75-I91 HydrophobicContact CG1-CG1 4.45Å; I75-I91 HydrophobicContact CG2-CD1 3.64Å; I75-I91 HydrophobicContact CG2-CG1 3.85Å; I75-L102 HydrophobicContact CG2-CD1 3.92Å
76	A	98.6	Very high	98.2	Very high	22 Å²	22	77.3 Å²	77.3	18%	0.182	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	148.8	178.4	0	0	0	0	0	111.9	Y59 F60 P61 L73	Y59-A76 HydrophobicContact CE2-CB 3.57Å; Y59-A76 VanDerWaalsContact OH-CB 3.26Å; Y59-A76 WeakPolarHBondContact OH-CB 3.48Å; F60-A76 WeakPolarHBondContact O-CA 3.38Å; P61-A76 HydrophobicContact CB-CB 3.98Å; L73-A76 HydrophobicContact CD1-CB 4.41Å
77	I	98.7	Very high	98.2	Very high	5 Å²	5	77.6 Å²	77.6	3%	0.026	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.6	176.5	-166.1	167.4	0	0	0	110.5	F60 K84 I91 F93 L100	F60-I77 HydrophobicContact CB-CG2 4.01Å; F60-I77 HydrophobicContact CD2-CG2 4.45Å; F60-I77 PolarHBondContact N-O 3.44Å; F60-I77 PolarHBondContact O-N 2.81Å; F60-I77 VanDerWaalsContact O-N 3.15Å; I77-K84 HydrophobicContact CB-CB 4.09Å; I77-K84 HydrophobicContact CD1-CB 3.89Å; I77-K84 HydrophobicContact CG1-CB 3.98Å; I77-I91 HydrophobicContact CB-CB 4.48Å; I77-I91 HydrophobicContact CB-CD1 4.2Å; I77-I91 HydrophobicContact CB-CG2 4.26Å; I77-I91 HydrophobicContact CD1-CG2 4.4Å; I77-I91 HydrophobicContact CG2-CB 4.37Å; I77-I91 HydrophobicContact CG2-CD1 4.19Å; I77-I91 HydrophobicContact CG2-CG2 3.65Å; I77-F93 HydrophobicContact CD1-CB 3.94Å; I77-F93 HydrophobicContact CG2-CB 4.41Å; I77-L100 HydrophobicContact CG2-CD2 4.31Å
78	R	98.5	Very high	98.2	Very high	163 Å²	163	74.3 Å²	74.3	62%	0.615	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	151.8	170.4	-74.8	-172.6	172.3	88.6	1.8	110.5	D58 Y59 V80 S81	D58-R78 CarbonylContact O-C 3.47Å; D58-R78 VanDerWaalsContact O-CA 3.23Å; D58-R78 WeakPolarHBondContact O-CA 3.44Å; Y59-R78 HydrophobicContact CD2-CG 4.09Å; R78-V80 HydrophobicContact CB-CG2 4.01Å; R78-V80 PolarHBondContact O-N 2.93Å; R78-S81 PolarHBondContact O-N 2.87Å
79	S	96.6	Very high	98.3	Very high	20 Å²	20	71.4 Å²	71.4	14%	0.14	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-8.9	-175.6	75.1	0	0	0	0	115.8	D58 S81	D58-S79 PolarHBondContact O-N 2.85Å; S79-S81 VanDerWaalsContact C-N 3.31Å
80	V	96.9	Very high	98.3	Very high	127 Å²	127	66.5 Å²	66.5	77%	0.77	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-11.8	173.5	-61.9	0	0	0	0	113	R78	R78-V80 HydrophobicContact CB-CG2 4.01Å; R78-V80 PolarHBondContact O-N 2.93Å
81	S	98.4	Very high	98.4	Very high	54 Å²	54	64.2 Å²	64.2	38%	0.378	36%	0.356	S	S	.	.			trans	-118.4	145.2	179	-56.4	0	0	0	0	109.9	R78 S79 F93	R78-S81 PolarHBondContact O-N 2.87Å; S79-S81 VanDerWaalsContact C-N 3.31Å; S81-F93 VanDerWaalsContact O-CD1 3.29Å; S81-F93 WeakPolarHBondContact O-CD1 3.46Å
82	D	98.3	Very high	98.4	Very high	117 Å²	117	64.6 Å²	64.6	63%	0.626	35%	0.35	S	S	*	.	S	Bend	trans	-98.3	-16.4	177.2	60.4	-9.3	0	0	0	112.9	F92 F93	D82-F92 CarbonylContact O-C 3.54Å; D82-F92 WeakPolarHBondContact O-CA 3.13Å; D82-F93 PolarHBondContact O-N 2.88Å
83	K	98.7	Very high	98.4	Very high	94 Å²	94	62.6 Å²	62.6	41%	0.409	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	142.3	179.1	-167.8	179.7	69.1	153.6	0	112	E85 T90 I91 F92	K83-E85 HydrophobicContact CD-CG 4.33Å; K83-E85 WeakPolarHBondContact CD-OE1 3.25Å; K83-E85 VanDerWaalsContact CE-OE1 3.31Å; K83-E85 WeakPolarHBondContact CE-OE1 3.29Å; K83-E85 HydrophobicContact CG-CG 4.35Å; K83-E85 VanDerWaalsContact NZ-CD 3.3Å; K83-E85 IonicContact NZ-OE1 3.37Å; K83-E85 PolarHBondContact NZ-OE1 3.33Å; K83-E85 IonicContact NZ-OE2 3.06Å; K83-E85 PolarHBondContact NZ-OE2 3.27Å; K83-T90 HydrophobicContact CD-CG2 4.35Å; K83-T90 HydrophobicContact CG-CG2 4Å; K83-I91 CarbonylContact C-O 3.5Å; K83-I91 VanDerWaalsContact CA-O 3.3Å; K83-I91 WeakPolarHBondContact CA-O 3.21Å; K83-F92 HydrophobicContact CD-CD1 4.32Å; K83-F92 HydrophobicContact CD-CE1 3.69Å; K83-F92 HydrophobicContact CD-CZ 4.28Å; K83-F92 HydrophobicContact CG-CD1 4.14Å; K83-F92 HydrophobicContact CG-CE1 3.97Å
84	K	98.7	Very high	98.4	Very high	99 Å²	99	60.6 Å²	60.6	43%	0.43	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	127.2	169.6	177	62.3	179.2	167.7	0	109.6	I75 I77 T90 I91	I75-K84 HydrophobicContact CD1-CG 3.96Å; I75-K84 HydrophobicContact CG1-CG 4Å; I77-K84 HydrophobicContact CB-CB 4.09Å; I77-K84 HydrophobicContact CD1-CB 3.89Å; I77-K84 HydrophobicContact CG1-CB 3.98Å; K84-T90 CarbonylContact O-C 3.6Å; K84-T90 WeakPolarHBondContact O-CA 3.38Å; K84-I91 PolarHBondContact N-O 2.78Å; K84-I91 PolarHBondContact O-N 3.32Å
85	E	98.6	Very high	98.3	Very high	104 Å²	104	64.6 Å²	64.6	49%	0.486	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	141.7	-179.3	-68	170.1	167.8	0	0	110.1	K83 F89 T90	K83-E85 HydrophobicContact CD-CG 4.33Å; K83-E85 WeakPolarHBondContact CD-OE1 3.25Å; K83-E85 VanDerWaalsContact CE-OE1 3.31Å; K83-E85 WeakPolarHBondContact CE-OE1 3.29Å; K83-E85 HydrophobicContact CG-CG 4.35Å; K83-E85 VanDerWaalsContact NZ-CD 3.3Å; K83-E85 IonicContact NZ-OE1 3.37Å; K83-E85 PolarHBondContact NZ-OE1 3.33Å; K83-E85 IonicContact NZ-OE2 3.06Å; K83-E85 PolarHBondContact NZ-OE2 3.27Å; E85-F89 WeakPolarHBondContact CA-O 2.99Å; E85-T90 HydrophobicContact CG-CG2 3.66Å
86	D	98.3	Very high	98.2	Very high	99 Å²	99	75.5 Å²	75.5	53%	0.529	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	103.2	168.8	-171	6.7	0	0	0	109.8	I75 R88 F89	I75-D86 HydrophobicContact CD1-CB 3.76Å; I75-D86 HydrophobicContact CG1-CB 4.44Å; D86-R88 PolarHBondContact O-N 2.99Å; D86-R88 VanDerWaalsContact O-N 3.17Å; D86-F89 PolarHBondContact N-O 2.97Å; D86-F89 WeakPolarHBondContact O-CB 3.31Å; D86-F89 PolarHBondContact O-N 3.21Å
87	G	98	Very high	98.1	Very high	75 Å²	75	79.9 Å²	79.9	77%	0.773	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	-119.2	-174.6	0	0	0	0	0	112.3	F89	G87-F89 VanDerWaalsContact C-N 3.32Å
88	R	98.3	Very high	98.1	Very high	50 Å²	50	83 Å²	83	19%	0.189	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-7.3	178.8	-65.7	-171.3	-57.5	106.4	1.8	113.7	D86 I104 T105 D106 D111	D86-R88 PolarHBondContact O-N 2.99Å; D86-R88 VanDerWaalsContact O-N 3.17Å; R88-I104 WeakPolarHBondContact O-CA 3.35Å; R88-T105 WeakPolarHBondContact CB-O 3.46Å; R88-T105 WeakPolarHBondContact CD-O 3.46Å; R88-T105 PolarHBondContact NH1-O 2.97Å; R88-T105 PolarHBondContact O-N 2.93Å; R88-T105 PolarHBondContact O-OG1 2.81Å; R88-D106 PolarHBondContact NH1-O 2.86Å; R88-D111 IonicContact CZ-OD1 3.7Å; R88-D111 IonicContact CZ-OD2 3.51Å; R88-D111 IonicContact NH1-OD1 3.59Å; R88-D111 IonicContact NH1-OD2 2.91Å; R88-D111 PolarHBondContact NH1-OD2 2.9Å; R88-D111 VanDerWaalsContact NH2-CG 3.29Å; R88-D111 IonicContact NH2-OD1 3.79Å; R88-D111 PolarHBondContact NH2-OD1 2.97Å; R88-D111 IonicContact NH2-OD2 2.7Å; R88-D111 PolarHBondContact NH2-OD2 3.37Å
89	F	98.8	Very high	98.1	Very high	31 Å²	31	80.3 Å²	80.3	14%	0.136	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.7	-176.3	-57.4	-79.6	0	0	0	111	L74 I75 E85 D86 G87 L102 H103 I104	L74-F89 HydrophobicContact CD1-CD1 4.12Å; L74-F89 HydrophobicContact CD1-CD2 4.1Å; L74-F89 HydrophobicContact CD1-CE1 3.96Å; L74-F89 HydrophobicContact CD1-CE2 3.93Å; L74-F89 HydrophobicContact CD1-CG 4.2Å; L74-F89 HydrophobicContact CD1-CZ 3.87Å; L74-F89 HydrophobicContact CD2-CD1 3.75Å; L74-F89 HydrophobicContact CD2-CE1 3.94Å; L74-F89 HydrophobicContact CD2-CG 4.34Å; L74-F89 HydrophobicContact CG-CD1 4.25Å; L74-F89 HydrophobicContact CG-CE1 4.46Å; L74-F89 HydrophobicContact CG-CG 4.4Å; I75-F89 HydrophobicContact CD1-CB 4.32Å; I75-F89 HydrophobicContact CG2-CB 4.48Å; E85-F89 WeakPolarHBondContact CA-O 2.99Å; D86-F89 PolarHBondContact N-O 2.97Å; D86-F89 WeakPolarHBondContact O-CB 3.31Å; D86-F89 PolarHBondContact O-N 3.21Å; G87-F89 VanDerWaalsContact C-N 3.32Å; F89-L102 HydrophobicContact CB-CD1 4.45Å; F89-H103 CarbonylContact C-O 3.51Å; F89-H103 WeakPolarHBondContact CA-O 3.3Å; F89-I104 HydrophobicContact CD1-CB 4.42Å; F89-I104 HydrophobicContact CD1-CD1 4.37Å; F89-I104 HydrophobicContact CD1-CG1 3.85Å; F89-I104 HydrophobicContact CD1-CG2 4.11Å; F89-I104 HydrophobicContact CE1-CB 4.37Å; F89-I104 HydrophobicContact CE1-CD1 4Å; F89-I104 HydrophobicContact CE1-CG1 3.91Å; F89-I104 HydrophobicContact CE1-CG2 3.71Å; F89-I104 HydrophobicContact CZ-CG2 4.39Å
90	T	98.9	Very high	98.1	Very high	14 Å²	14	79.6 Å²	79.6	9%	0.086	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.2	175.4	-54.7	0	0	0	0	110.7	K83 K84 E85 F92 L102 H103	K83-T90 HydrophobicContact CD-CG2 4.35Å; K83-T90 HydrophobicContact CG-CG2 4Å; K84-T90 CarbonylContact O-C 3.6Å; K84-T90 WeakPolarHBondContact O-CA 3.38Å; E85-T90 HydrophobicContact CG-CG2 3.66Å; T90-F92 HydrophobicContact CG2-CD2 4Å; T90-F92 HydrophobicContact CG2-CE1 4.31Å; T90-F92 HydrophobicContact CG2-CE2 3.49Å; T90-F92 VanDerWaalsContact CG2-CE2 3.49Å; T90-F92 HydrophobicContact CG2-CZ 3.67Å; T90-L102 CarbonylContact O-C 3.58Å; T90-L102 WeakPolarHBondContact O-CA 3.48Å; T90-H103 PolarHBondContact N-O 2.94Å; T90-H103 PolarHBondContact O-N 3.24Å
91	I	98.9	Very high	98.2	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.5	166	-57.3	167.7	0	0	0	108.7	I75 I77 K83 K84 L100 S101 L102	I75-I91 HydrophobicContact CB-CD1 4.22Å; I75-I91 HydrophobicContact CD1-CD1 4.45Å; I75-I91 HydrophobicContact CD1-CG1 4.41Å; I75-I91 HydrophobicContact CG1-CD1 3.96Å; I75-I91 HydrophobicContact CG1-CG1 4.45Å; I75-I91 HydrophobicContact CG2-CD1 3.64Å; I75-I91 HydrophobicContact CG2-CG1 3.85Å; I77-I91 HydrophobicContact CB-CB 4.48Å; I77-I91 HydrophobicContact CB-CD1 4.2Å; I77-I91 HydrophobicContact CB-CG2 4.26Å; I77-I91 HydrophobicContact CD1-CG2 4.4Å; I77-I91 HydrophobicContact CG2-CB 4.37Å; I77-I91 HydrophobicContact CG2-CD1 4.19Å; I77-I91 HydrophobicContact CG2-CG2 3.65Å; K83-I91 CarbonylContact C-O 3.5Å; K83-I91 VanDerWaalsContact CA-O 3.3Å; K83-I91 WeakPolarHBondContact CA-O 3.21Å; K84-I91 PolarHBondContact N-O 2.78Å; K84-I91 PolarHBondContact O-N 3.32Å; I91-L100 HydrophobicContact CG2-CB 4.36Å; I91-S101 CarbonylContact C-O 3.51Å; I91-S101 VanDerWaalsContact CA-O 3.27Å; I91-S101 WeakPolarHBondContact CA-O 3.1Å; I91-L102 HydrophobicContact CG1-CD1 4.22Å
92	F	98.8	Very high	98.3	Very high	86 Å²	86	71.7 Å²	71.7	38%	0.377	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.1	161.7	-64.7	-84.2	0	0	0	109.4	D82 K83 T90 L100 S101 H103	D82-F92 CarbonylContact O-C 3.54Å; D82-F92 WeakPolarHBondContact O-CA 3.13Å; K83-F92 HydrophobicContact CD-CD1 4.32Å; K83-F92 HydrophobicContact CD-CE1 3.69Å; K83-F92 HydrophobicContact CD-CZ 4.28Å; K83-F92 HydrophobicContact CG-CD1 4.14Å; K83-F92 HydrophobicContact CG-CE1 3.97Å; T90-F92 HydrophobicContact CG2-CD2 4Å; T90-F92 HydrophobicContact CG2-CE1 4.31Å; T90-F92 HydrophobicContact CG2-CE2 3.49Å; T90-F92 VanDerWaalsContact CG2-CE2 3.49Å; T90-F92 HydrophobicContact CG2-CZ 3.67Å; F92-L100 CarbonylContact O-C 3.6Å; F92-L100 WeakPolarHBondContact O-CA 3.49Å; F92-L100 WeakPolarHBondContact O-CB 3.45Å; F92-S101 PolarHBondContact N-O 3.28Å; F92-S101 PolarHBondContact O-N 2.8Å; F92-H103 AromaticContact CD2-CD2 3.62Å; F92-H103 AromaticContact CD2-NE2 3.68Å; F92-H103 HydrophobicContact CE2-CB 4.47Å; F92-H103 AromaticContact CE2-CD2 3.96Å; F92-H103 AromaticContact CE2-CG 3.9Å; F92-H103 AromaticContact CE2-ND1 3.93Å
93	F	98.7	Very high	98.3	Very high	14 Å²	14	68 Å²	68	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.1	-177.9	176.9	-114	0	0	0	111.2	Y52 F60 I77 S81 D82 K95 L100	Y52-F93 AromaticContact CE1-CE2 3.71Å; Y52-F93 HydrophobicContact CE1-CE2 3.71Å; Y52-F93 HydrophobicContact CE1-CZ 4.37Å; Y52-F93 WeakPolarHBondContact OH-CZ 3Å; F60-F93 HydrophobicContact CD2-CD2 4.35Å; F60-F93 AromaticContact CD2-CE2 3.88Å; F60-F93 HydrophobicContact CD2-CE2 3.88Å; F60-F93 HydrophobicContact CD2-CZ 4.23Å; F60-F93 HydrophobicContact CE1-CE2 4.19Å; F60-F93 HydrophobicContact CE2-CD2 4.3Å; F60-F93 HydrophobicContact CE2-CE1 4.34Å; F60-F93 AromaticContact CE2-CE2 3.42Å; F60-F93 HydrophobicContact CE2-CE2 3.42Å; F60-F93 VanDerWaalsContact CE2-CE2 3.42Å; F60-F93 AromaticContact CE2-CZ 3.45Å; F60-F93 HydrophobicContact CE2-CZ 3.45Å; F60-F93 VanDerWaalsContact CE2-CZ 3.45Å; F60-F93 HydrophobicContact CG-CE2 4.45Å; F60-F93 AromaticContact CZ-CE2 3.6Å; F60-F93 HydrophobicContact CZ-CE2 3.6Å; F60-F93 AromaticContact CZ-CZ 3.76Å; F60-F93 HydrophobicContact CZ-CZ 3.76Å; I77-F93 HydrophobicContact CD1-CB 3.94Å; I77-F93 HydrophobicContact CG2-CB 4.41Å; S81-F93 VanDerWaalsContact O-CD1 3.29Å; S81-F93 WeakPolarHBondContact O-CD1 3.46Å; D82-F93 PolarHBondContact O-N 2.88Å; F93-K95 HydrophobicContact CD1-CB 4.4Å; F93-K95 HydrophobicContact CE1-CB 3.56Å; F93-K95 HydrophobicContact CE1-CD 4.35Å; F93-K95 HydrophobicContact CE1-CG 4.07Å; F93-K95 HydrophobicContact CZ-CB 3.85Å; F93-K95 HydrophobicContact CZ-CG 4.09Å; F93-L100 HydrophobicContact CD2-CB 4.32Å; F93-L100 HydrophobicContact CD2-CD2 3.4Å; F93-L100 HydrophobicContact CD2-CG 3.67Å; F93-L100 HydrophobicContact CE2-CD2 3.88Å; F93-L100 HydrophobicContact CE2-CG 4.17Å; F93-L100 HydrophobicContact CG-CD2 4.41Å
94	N	98.1	Very high	98.3	Very high	58 Å²	58	63.8 Å²	63.8	31%	0.31	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	96.9	173.9	-175.2	-28.5	0	0	0	109.4	R96 E97 K98 K99	N94-R96 VanDerWaalsContact C-N 3.3Å; N94-R96 PolarHBondContact O-N 2.7Å; N94-R96 PolarHBondContact OD1-N 3.27Å; N94-R96 VanDerWaalsContact OD1-N 3.14Å; N94-E97 HydrophobicContact CB-CB 4.32Å; N94-E97 PolarHBondContact ND2-OE1 2.78Å; N94-E97 PolarHBondContact O-N 2.9Å; N94-E97 PolarHBondContact OD1-N 2.81Å; N94-K98 PolarHBondContact O-N 3.01Å; N94-K99 PolarHBondContact N-O 2.98Å; N94-K99 PolarHBondContact O-N 2.03Å; N94-K99 VanDerWaalsContact O-N 3.09Å
95	K	96.6	Very high	98.3	Very high	115 Å²	115	61.7 Å²	61.7	50%	0.5	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-37.9	179.8	-167.2	168.2	-176.4	163.1	0	113	F93 K98	F93-K95 HydrophobicContact CD1-CB 4.4Å; F93-K95 HydrophobicContact CE1-CB 3.56Å; F93-K95 HydrophobicContact CE1-CD 4.35Å; F93-K95 HydrophobicContact CE1-CG 4.07Å; F93-K95 HydrophobicContact CZ-CB 3.85Å; F93-K95 HydrophobicContact CZ-CG 4.09Å; K95-K98 PolarHBondContact O-N 3.45Å
96	R	96.4	Very high	98.3	Very high	239 Å²	239	60.8 Å²	60.8	90%	0.902	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-39.9	-176.8	-174.6	-179.3	179.9	-147.5	0.3	111.2	N94 K98	N94-R96 VanDerWaalsContact C-N 3.3Å; N94-R96 PolarHBondContact O-N 2.7Å; N94-R96 PolarHBondContact OD1-N 3.27Å; N94-R96 VanDerWaalsContact OD1-N 3.14Å; R96-K98 VanDerWaalsContact C-N 3.34Å
97	E	97.7	Very high	98.3	Very high	113 Å²	113	56.4 Å²	56.4	53%	0.528	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-7.2	178.2	-67.4	179.9	-148.1	0	0	113.5	N94 K99	N94-E97 HydrophobicContact CB-CB 4.32Å; N94-E97 PolarHBondContact ND2-OE1 2.78Å; N94-E97 PolarHBondContact O-N 2.9Å; N94-E97 PolarHBondContact OD1-N 2.81Å; E97-K99 VanDerWaalsContact C-N 3.28Å; E97-K99 HydrophobicContact CB-CB 4.35Å; E97-K99 HydrophobicContact CB-CD 4.17Å; E97-K99 HydrophobicContact CB-CG 4.27Å; E97-K99 PolarHBondContact O-N 2.87Å; E97-K99 IonicContact OE2-NZ 3.32Å
98	K	97.5	Very high	98.3	Very high	70 Å²	70	56.9 Å²	56.9	30%	0.304	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	46.4	-171.7	-54.3	-178.8	-178.9	-179.9	0	112.5	S51 Y52 E53 S55 N94 K95 R96	S51-K98 VanDerWaalsContact CA-O 3.29Å; S51-K98 WeakPolarHBondContact CA-O 3.39Å; Y52-K98 HydrophobicContact CD1-CB 4Å; Y52-K98 VanDerWaalsContact CD1-O 3.25Å; Y52-K98 WeakPolarHBondContact CD1-O 3.42Å; Y52-K98 HydrophobicContact CD2-CB 4.31Å; Y52-K98 HydrophobicContact CE1-CB 3.7Å; Y52-K98 HydrophobicContact CE1-CG 4.48Å; Y52-K98 HydrophobicContact CE2-CB 4.05Å; Y52-K98 HydrophobicContact CE2-CD 4.43Å; Y52-K98 HydrophobicContact CE2-CG 4.13Å; Y52-K98 HydrophobicContact CG-CB 4.29Å; Y52-K98 PolarHBondContact N-O 2.78Å; Y52-K98 WeakPolarHBondContact O-CB 3.29Å; Y52-K98 WeakPolarHBondContact O-CD 3.3Å; E53-K98 PolarHBondContact O-NZ 2.82Å; S55-K98 WeakPolarHBondContact OG-CE 3.43Å; S55-K98 PolarHBondContact OG-NZ 2.92Å; N94-K98 PolarHBondContact O-N 3.01Å; K95-K98 PolarHBondContact O-N 3.45Å; R96-K98 VanDerWaalsContact C-N 3.34Å
99	K	98.4	Very high	98.3	Very high	107 Å²	107	58.9 Å²	58.9	47%	0.465	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150.8	-177.6	-72.4	177.1	-172.4	171.2	0	111.3	C50 N94 E97	C50-K99 CarbonylContact O-C 3.5Å; C50-K99 VanDerWaalsContact O-CA 3.31Å; C50-K99 WeakPolarHBondContact O-CA 3.27Å; N94-K99 PolarHBondContact N-O 2.98Å; N94-K99 PolarHBondContact O-N 2.03Å; N94-K99 VanDerWaalsContact O-N 3.09Å; E97-K99 VanDerWaalsContact C-N 3.28Å; E97-K99 HydrophobicContact CB-CB 4.35Å; E97-K99 HydrophobicContact CB-CD 4.17Å; E97-K99 HydrophobicContact CB-CG 4.27Å; E97-K99 PolarHBondContact O-N 2.87Å; E97-K99 IonicContact OE2-NZ 3.32Å
100	L	98.2	Very high	98.2	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	152.9	169.3	-17.1	86.4	0	0	0	109.2	C50 Y52 F60 I77 I91 F92 F93	C50-L100 HydrophobicContact CB-CD1 3.62Å; C50-L100 PolarHBondContact N-O 2.88Å; C50-L100 PolarHBondContact O-N 3.4Å; C50-L100 VanDerWaalsContact O-O 3.04Å; C50-L100 VanDerWaalsContact SG-CD1 3.54Å; Y52-L100 HydrophobicContact CD1-CD1 4.16Å; F60-L100 HydrophobicContact CB-CD2 3.29Å; F60-L100 HydrophobicContact CD1-CD1 4.3Å; F60-L100 HydrophobicContact CD1-CD2 3.59Å; F60-L100 HydrophobicContact CD1-CG 4.48Å; F60-L100 HydrophobicContact CD2-CD2 3.96Å; F60-L100 HydrophobicContact CE1-CD2 4.37Å; F60-L100 HydrophobicContact CG-CD2 3.34Å; I77-L100 HydrophobicContact CG2-CD2 4.31Å; I91-L100 HydrophobicContact CG2-CB 4.36Å; F92-L100 CarbonylContact O-C 3.6Å; F92-L100 WeakPolarHBondContact O-CA 3.49Å; F92-L100 WeakPolarHBondContact O-CB 3.45Å; F93-L100 HydrophobicContact CD2-CB 4.32Å; F93-L100 HydrophobicContact CD2-CD2 3.4Å; F93-L100 HydrophobicContact CD2-CG 3.67Å; F93-L100 HydrophobicContact CE2-CD2 3.88Å; F93-L100 HydrophobicContact CE2-CG 4.17Å; F93-L100 HydrophobicContact CG-CD2 4.41Å
101	S	98.8	Very high	98.2	Very high	15 Å²	15	60.1 Å²	60.1	11%	0.105	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.8	168.9	59.7	0	0	0	0	110.5	L48 I91 F92 H103	L48-S101 CarbonylContact O-C 3.47Å; L48-S101 WeakPolarHBondContact O-CA 3.41Å; I91-S101 CarbonylContact C-O 3.51Å; I91-S101 VanDerWaalsContact CA-O 3.27Å; I91-S101 WeakPolarHBondContact CA-O 3.1Å; F92-S101 PolarHBondContact N-O 3.28Å; F92-S101 PolarHBondContact O-N 2.8Å; S101-H103 PolarHBondContact OG-CD2 3.14Å; S101-H103 VanDerWaalsContact OG-CD2 3.27Å; S101-H103 PolarHBondContact OG-NE2 2.97Å
102	L	98.9	Very high	98.2	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.4	166.4	175.8	67.3	0	0	0	108	I47 L48 W62 L74 I75 F89 T90 I91 I104 Y115	I47-L102 WeakPolarHBondContact CA-O 3.46Å; L48-L102 HydrophobicContact CB-CB 4.43Å; L48-L102 HydrophobicContact CD1-CD2 4.38Å; L48-L102 PolarHBondContact N-O 3.35Å; L48-L102 PolarHBondContact O-N 3.44Å; W62-L102 HydrophobicContact CB-CD2 4.35Å; W62-L102 HydrophobicContact CD2-CB 3.81Å; W62-L102 HydrophobicContact CD2-CD2 3.89Å; W62-L102 HydrophobicContact CD2-CG 4.39Å; W62-L102 HydrophobicContact CE3-CB 4.14Å; W62-L102 HydrophobicContact CE3-CD2 3.76Å; W62-L102 HydrophobicContact CG-CB 4.32Å; W62-L102 HydrophobicContact CG-CD2 4.17Å; W62-L102 HydrophobicContact CH2-CB 4.1Å; W62-L102 HydrophobicContact CZ2-CB 3.79Å; W62-L102 HydrophobicContact CZ3-CB 4.27Å; W62-L102 HydrophobicContact CZ3-CD2 4.32Å; L74-L102 HydrophobicContact CD2-CD1 4.44Å; L74-L102 HydrophobicContact CD2-CD2 3.91Å; I75-L102 HydrophobicContact CG2-CD1 3.92Å; F89-L102 HydrophobicContact CB-CD1 4.45Å; T90-L102 CarbonylContact O-C 3.58Å; T90-L102 WeakPolarHBondContact O-CA 3.48Å; I91-L102 HydrophobicContact CG1-CD1 4.22Å; L102-I104 HydrophobicContact CD2-CD1 4.49Å; L102-I104 HydrophobicContact CD2-CG1 4.49Å; L102-I104 HydrophobicContact CG-CG1 4.32Å; L102-Y115 HydrophobicContact CD2-CD1 3.86Å; L102-Y115 HydrophobicContact CD2-CE1 4.31Å
103	H	98.9	Very high	98.2	Very high	41 Å²	41	61.7 Å²	61.7	19%	0.19	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.1	174.9	-71.1	-133	0	0	0	108.5	T45 A46 F89 T90 F92 S101	T45-H103 HydrophobicContact CG2-CB 4.38Å; A46-H103 WeakPolarHBondContact O-CA 3.23Å; F89-H103 CarbonylContact C-O 3.51Å; F89-H103 WeakPolarHBondContact CA-O 3.3Å; T90-H103 PolarHBondContact N-O 2.94Å; T90-H103 PolarHBondContact O-N 3.24Å; F92-H103 AromaticContact CD2-CD2 3.62Å; F92-H103 AromaticContact CD2-NE2 3.68Å; F92-H103 HydrophobicContact CE2-CB 4.47Å; F92-H103 AromaticContact CE2-CD2 3.96Å; F92-H103 AromaticContact CE2-CG 3.9Å; F92-H103 AromaticContact CE2-ND1 3.93Å; S101-H103 PolarHBondContact OG-CD2 3.14Å; S101-H103 VanDerWaalsContact OG-CD2 3.27Å; S101-H103 PolarHBondContact OG-NE2 2.97Å
104	I	98.8	Very high	98.2	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.021	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	100.5	173.9	-46	176.7	0	0	0	106	T45 A46 R88 F89 L102 S107 Y115	T45-I104 CarbonylContact C-O 3.55Å; T45-I104 VanDerWaalsContact CA-O 3.31Å; T45-I104 WeakPolarHBondContact CA-O 3.44Å; A46-I104 HydrophobicContact CB-CB 4.23Å; A46-I104 PolarHBondContact N-O 3.08Å; A46-I104 PolarHBondContact O-N 3.1Å; R88-I104 WeakPolarHBondContact O-CA 3.35Å; F89-I104 HydrophobicContact CD1-CB 4.42Å; F89-I104 HydrophobicContact CD1-CD1 4.37Å; F89-I104 HydrophobicContact CD1-CG1 3.85Å; F89-I104 HydrophobicContact CD1-CG2 4.11Å; F89-I104 HydrophobicContact CE1-CB 4.37Å; F89-I104 HydrophobicContact CE1-CD1 4Å; F89-I104 HydrophobicContact CE1-CG1 3.91Å; F89-I104 HydrophobicContact CE1-CG2 3.71Å; F89-I104 HydrophobicContact CZ-CG2 4.39Å; L102-I104 HydrophobicContact CD2-CD1 4.49Å; L102-I104 HydrophobicContact CD2-CG1 4.49Å; L102-I104 HydrophobicContact CG-CG1 4.32Å; I104-S107 PolarHBondContact O-OG 3Å; I104-Y115 HydrophobicContact CD1-CE1 3.8Å; I104-Y115 HydrophobicContact CD1-CE2 4.15Å
105	T	98.6	Very high	98.2	Very high	56 Å²	56	63.1 Å²	63.1	34%	0.344	33%	0.331	S	S	.	.			trans	-83	155.6	179.6	57.9	0	0	0	0	110.6	T45 R88 S107	T45-T105 HydrophobicContact CG2-CG2 4.25Å; R88-T105 WeakPolarHBondContact CB-O 3.46Å; R88-T105 WeakPolarHBondContact CD-O 3.46Å; R88-T105 PolarHBondContact NH1-O 2.97Å; R88-T105 PolarHBondContact O-N 2.93Å; R88-T105 PolarHBondContact O-OG1 2.81Å; T105-S107 PolarHBondContact O-N 3.09Å
106	D	98.4	Very high	98.3	Very high	85 Å²	85	61 Å²	61	46%	0.455	32%	0.322	S	S	.	.	S	Bend	trans	51.8	56.5	179.7	179.8	52.1	0	0	0	110.2	R88 Q108	R88-D106 PolarHBondContact NH1-O 2.86Å; D106-Q108 WeakPolarHBondContact O-CG 3.3Å; D106-Q108 PolarHBondContact O-N 3.38Å; D106-Q108 PolarHBondContact OD2-NE2 2.94Å
107	S	98.7	Very high	98.4	Very high	6 Å²	6	50.2 Å²	50.2	4%	0.042	28%	0.283	C	S	.	.			trans	-59.2	134.4	-173.4	-64.8	0	0	0	0	110.9	E42 G43 E44 I104 T105	E42-S107 CarbonylContact C-O 3.6Å; E42-S107 VanDerWaalsContact CA-O 3.29Å; E42-S107 WeakPolarHBondContact CA-O 3.35Å; E42-S107 WeakPolarHBondContact CG-O 3.46Å; G43-S107 PolarHBondContact N-O 2.81Å; E44-S107 VanDerWaalsContact O-CB 3.23Å; E44-S107 WeakPolarHBondContact O-CB 3.07Å; E44-S107 PolarHBondContact O-N 3.17Å; E44-S107 PolarHBondContact O-OG 3.31Å; I104-S107 PolarHBondContact O-OG 3Å; T105-S107 PolarHBondContact O-N 3.09Å
108	Q	98.4	Very high	98.3	Very high	86 Å²	86	46.5 Å²	46.5	40%	0.402	27%	0.272	S	S	.	.			trans	-118.5	155.3	-177.3	-65.3	172.3	13.9	0	0	109.9	D106 G110 D111	D106-Q108 WeakPolarHBondContact O-CG 3.3Å; D106-Q108 PolarHBondContact O-N 3.38Å; D106-Q108 PolarHBondContact OD2-NE2 2.94Å; Q108-G110 PolarHBondContact O-N 2.82Å; Q108-D111 PolarHBondContact N-OD2 3.37Å; Q108-D111 WeakPolarHBondContact O-CB 3.43Å; Q108-D111 PolarHBondContact O-N 2.97Å
109	P	97.9	Very high	98.3	Very high	91 Å²	91	44 Å²	44	59%	0.591	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-52.8	-32.2	174.9	-28.9	35.9	0	0	0	113.7	D111 S112	P109-D111 PolarHBondContact O-N 2.82Å; P109-S112 WeakPolarHBondContact O-CB 3.47Å; P109-S112 PolarHBondContact O-N 3.44Å; P109-S112 PolarHBondContact O-OG 2.93Å
110	G	97.5	Very high	98.2	Very high	53 Å²	53	43.1 Å²	43.1	55%	0.546	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-67.8	-9	175.6	0	0	0	0	0	115.6	F66 Q108 S112	F66-G110 WeakPolarHBondContact CE1-O 3.21Å; Q108-G110 PolarHBondContact O-N 2.82Å; G110-S112 VanDerWaalsContact C-N 3.25Å
111	D	98.3	Very high	98.2	Very high	19 Å²	19	45.1 Å²	45.1	10%	0.102	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-83.4	-2.2	173.1	-60.9	-40.2	0	0	0	112.6	R88 Q108 P109 A113 Y115	R88-D111 IonicContact CZ-OD1 3.7Å; R88-D111 IonicContact CZ-OD2 3.51Å; R88-D111 IonicContact NH1-OD1 3.59Å; R88-D111 IonicContact NH1-OD2 2.91Å; R88-D111 PolarHBondContact NH1-OD2 2.9Å; R88-D111 VanDerWaalsContact NH2-CG 3.29Å; R88-D111 IonicContact NH2-OD1 3.79Å; R88-D111 PolarHBondContact NH2-OD1 2.97Å; R88-D111 IonicContact NH2-OD2 2.7Å; R88-D111 PolarHBondContact NH2-OD2 3.37Å; Q108-D111 PolarHBondContact N-OD2 3.37Å; Q108-D111 WeakPolarHBondContact O-CB 3.43Å; Q108-D111 PolarHBondContact O-N 2.97Å; P109-D111 PolarHBondContact O-N 2.82Å; D111-A113 PolarHBondContact O-N 3.15Å; D111-Y115 WeakPolarHBondContact O-CE2 3.41Å; D111-Y115 PolarHBondContact O-OH 2.93Å
112	S	98.2	Very high	98.1	Very high	89 Å²	89	46.6 Å²	46.6	62%	0.622	29%	0.293	S	S	*	.			trans	-67	97.3	178.7	-58.7	0	0	0	0	111	P109 G110	P109-S112 WeakPolarHBondContact O-CB 3.47Å; P109-S112 PolarHBondContact O-N 3.44Å; P109-S112 PolarHBondContact O-OG 2.93Å; G110-S112 VanDerWaalsContact C-N 3.25Å
113	A	98.5	Very high	98.1	Very high	30 Å²	30	49.2 Å²	49.2	25%	0.248	31%	0.31	C	S	.	.	S	Bend	trans	-154.1	171.3	-175.5	0	0	0	0	0	111.5	Q64 Q65 F66 D111 Y115	Q64-A113 HydrophobicContact CG-CB 3.54Å; Q65-A113 WeakPolarHBondContact O-CB 3.26Å; F66-A113 HydrophobicContact CD1-CB 3.92Å; F66-A113 HydrophobicContact CE1-CB 3.98Å; D111-A113 PolarHBondContact O-N 3.15Å; A113-Y115 HydrophobicContact CB-CD2 4.48Å; A113-Y115 HydrophobicContact CB-CE2 3.92Å
114	T	98.6	Very high	98	Very high	76 Å²	76	49.7 Å²	49.7	47%	0.466	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	134.1	164.4	-54.2	0	0	0	0	109.2	Q64 Q65 F116	Q64-T114 CarbonylContact C-O 3.55Å; Q65-T114 PolarHBondContact N-O 3.43Å; Q65-T114 PolarHBondContact O-N 3.05Å; T114-F116 HydrophobicContact CG2-CD2 4.43Å; T114-F116 HydrophobicContact CG2-CE1 3.82Å; T114-F116 HydrophobicContact CG2-CE2 3.67Å; T114-F116 HydrophobicContact CG2-CZ 3.33Å
115	Y	98.7	Very high	98	Very high	25 Å²	25	52.6 Å²	52.6	10%	0.098	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.7	179.9	-67.6	-95.6	0	0	0	110.9	Q33 L48 Y63 Q64 L74 L102 I104 D111 A113	Q33-Y115 PolarHBondContact NE2-O 3.26Å; L48-Y115 HydrophobicContact CD1-CD1 4.37Å; L48-Y115 HydrophobicContact CD1-CD2 3.86Å; L48-Y115 HydrophobicContact CD1-CG 3.67Å; Y63-Y115 CarbonylContact O-C 3.49Å; Y63-Y115 VanDerWaalsContact O-CA 3.29Å; Y63-Y115 WeakPolarHBondContact O-CA 3.3Å; Q64-Y115 HydrophobicContact CB-CD1 4.33Å; Q64-Y115 HydrophobicContact CB-CE1 4.12Å; Q64-Y115 HydrophobicContact CG-CD1 4.39Å; Q64-Y115 HydrophobicContact CG-CE1 3.87Å; Q64-Y115 PolarHBondContact NE2-OH 3.01Å; L74-Y115 HydrophobicContact CD2-CD1 4.01Å; L74-Y115 HydrophobicContact CD2-CE1 3.74Å; L102-Y115 HydrophobicContact CD2-CD1 3.86Å; L102-Y115 HydrophobicContact CD2-CE1 4.31Å; I104-Y115 HydrophobicContact CD1-CE1 3.8Å; I104-Y115 HydrophobicContact CD1-CE2 4.15Å; D111-Y115 WeakPolarHBondContact O-CE2 3.41Å; D111-Y115 PolarHBondContact O-OH 2.93Å; A113-Y115 HydrophobicContact CB-CD2 4.48Å; A113-Y115 HydrophobicContact CB-CE2 3.92Å
116	F	98.2	Very high	98	Very high	72 Å²	72	52.3 Å²	52.3	32%	0.316	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.6	179.6	-53.6	-85.2	0	0	0	110.4	W62 Y63 Q65 P71 T114	W62-F116 CarbonylContact C-O 3.58Å; W62-F116 VanDerWaalsContact CA-O 3.27Å; W62-F116 WeakPolarHBondContact CA-O 3.37Å; Y63-F116 PolarHBondContact N-O 3.37Å; Y63-F116 PolarHBondContact O-N 2.7Å; Q65-F116 HydrophobicContact CB-CD2 4.5Å; Q65-F116 HydrophobicContact CB-CE2 3.76Å; Q65-F116 VanDerWaalsContact OE1-CZ 3.3Å; P71-F116 HydrophobicContact CB-CD2 4.41Å; P71-F116 HydrophobicContact CG-CE2 4.27Å; T114-F116 HydrophobicContact CG2-CD2 4.43Å; T114-F116 HydrophobicContact CG2-CE1 3.82Å; T114-F116 HydrophobicContact CG2-CE2 3.67Å; T114-F116 HydrophobicContact CG2-CZ 3.33Å
117	C	98.3	Very high	97.9	Very high	11 Å²	11	50 Å²	50	7%	0.074	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.2	167.9	178.1	0	0	0	0	108.8	V31 Q33 C50 W62	V31-C117 HydrophobicContact CG1-CB 4.39Å; Q33-C117 VanDerWaalsContact CD-N 3.34Å; Q33-C117 HydrophobicContact CG-CB 3.78Å; C50-C117 HydrophobicContact CB-CB 3.61Å; C50-C117 WeakPolarHBondContact CB-SG 3.49Å; C50-C117 WeakPolarHBondContact SG-CB 3.33Å; C50-C117 CovalentContact SG-SG 2.03Å; C50-C117 PolarHBondContact SG-SG 2.85Å; W62-C117 HydrophobicContact CD2-CB 4.02Å; W62-C117 HydrophobicContact CE3-CB 3.97Å; W62-C117 HydrophobicContact CH2-CB 3.76Å; W62-C117 HydrophobicContact CZ2-CB 3.78Å; W62-C117 HydrophobicContact CZ3-CB 3.84Å
118	A	97.6	Very high	97.9	Very high	35 Å²	35	53.4 Å²	53.4	29%	0.289	35%	0.348	S	S	.	.			trans	-130.1	168	169.3	0	0	0	0	0	111.3	F60 P61 Y63	F60-A118 WeakPolarHBondContact CA-O 3.31Å; P61-A118 WeakPolarHBondContact CD-O 3.41Å; P61-A118 HydrophobicContact CG-CB 4.1Å; P61-A118 PolarHBondContact O-N 2.78Å; Y63-A118 HydrophobicContact CE2-CB 4.24Å
119	A	97.2	Very high	97.8	Very high	18 Å²	18	50.7 Å²	50.7	15%	0.149	34%	0.344	C	S	.	.			trans	-145.2	137.8	176.4	0	0	0	0	0	109.1	V31 F57 Y59 F60	V31-A119 HydrophobicContact CG2-CB 3.66Å; F57-A119 HydrophobicContact CB-CB 4.11Å; F57-A119 HydrophobicContact CD2-CB 3.35Å; F57-A119 HydrophobicContact CE2-CB 3.72Å; F57-A119 HydrophobicContact CG-CB 3.87Å; Y59-A119 WeakPolarHBondContact O-CA 3.29Å; F60-A119 HydrophobicContact CD1-CB 3.58Å; F60-A119 HydrophobicContact CE1-CB 3.69Å
120	S	95	Very high	97.8	Very high	89 Å²	89	47 Å²	47	62%	0.622	32%	0.321	S	S	*	.			trans	-144.6	0	178.6	60.5	0	0	0	0	111.9	F57 D58 Y59	F57-S120 CarbonylContact C-O 3.48Å; F57-S120 WeakPolarHBondContact CA-O 3.23Å; F57-S120 WeakPolarHBondContact CD1-OXT 3.42Å; D58-S120 PolarHBondContact N-O 2.94Å; Y59-S120 PolarHBondContact N-O 2.94Å; Y59-S120 PolarHBondContact O-N 2.81Å

Retrieved 120 of 120 residues in 98.5 ms (Link to these results)

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