A0A075B694_MOUSE Loading...

T cell receptor alpha variable 14-2

AlphaFold DB , UniProt , Accession A0A075B694, Species MOUSE (Mus musculus, Mouse), Gene Trav14-2, Length 121 aa.

						>A0A075B694_MOUSE|A0A075B694|Trav14-2
MDKILTASFLLLGLHLAGVSGQQQEKHDQQQVRQSPQSLTVWEGETAILNCSYEDSTFDYFPWYHQFPGESPALLIAIRPVSNKKEDGRFTIFFNKREKKFSLHIADSQPGDSATYFCAAS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.9	Very low	49.3	Very low	225 Å²	225	155.2 Å²	155.2	100%	1.108	82%	0.824	S	S	*	*				0	82.3	0	-82.4	-172.6	-54.7	0	0	104.6
2	D	41.1	Very low	49.2	Very low	152 Å²	152	156.4 Å²	156.4	81%	0.813	83%	0.83	S	S	*	*			trans	-117.4	112.5	-165.6	-59.7	-70.6	0	0	0	107.1	I4	D2-I4 PolarHBondContact O-N 2.76Å
3	K	40.9	Very low	49.8	Very low	200 Å²	200	150.1 Å²	150.1	87%	0.87	82%	0.824	S	S	*	*			trans	-73.1	105.6	-174.6	-64.9	172.3	178.4	174.6	0	107.8	L5	K3-L5 PolarHBondContact O-N 3.02Å; K3-L5 VanDerWaalsContact O-N 3.1Å
4	I	53.8	Low	49.9	Very low	160 Å²	160	149.9 Å²	149.9	82%	0.821	82%	0.821	S	S	*	*			trans	-71	103.6	166.8	-60.2	175.7	0	0	0	106.4	D2 T6	D2-I4 PolarHBondContact O-N 2.76Å; I4-T6 PolarHBondContact O-N 3.09Å
5	L	51.6	Low	50.1	Low	154 Å²	154	152.5 Å²	152.5	81%	0.806	82%	0.824	S	S	*	*			trans	-72.1	106.1	173.3	-145.6	88.7	0	0	0	107.4	K3 A7	K3-L5 PolarHBondContact O-N 3.02Å; K3-L5 VanDerWaalsContact O-N 3.1Å; L5-A7 PolarHBondContact O-N 3.31Å
6	T	51.1	Low	50	Low	133 Å²	133	152.1 Å²	152.1	82%	0.816	82%	0.82	S	S	*	*			trans	-65	101.3	172.3	-31.8	0	0	0	0	108.3	I4	I4-T6 PolarHBondContact O-N 3.09Å
7	A	52.7	Low	50.4	Low	68 Å²	68	149.2 Å²	149.2	56%	0.562	82%	0.822	S	S	*	*			trans	-87.5	107.5	172.6	0	0	0	0	0	108.8	L5 F9	L5-A7 PolarHBondContact O-N 3.31Å; A7-F9 HydrophobicContact CB-CD2 4.43Å; A7-F9 HydrophobicContact CB-CE2 4.29Å; A7-F9 PolarHBondContact O-N 3.28Å; A7-F9 VanDerWaalsContact O-N 3.08Å
8	S	51.2	Low	50.4	Low	115 Å²	115	144.2 Å²	144.2	80%	0.804	81%	0.81	S	S	*	*			trans	-65.3	103.1	166.4	-72	0	0	0	0	109.2	L10	S8-L10 PolarHBondContact O-N 3.43Å
9	F	53	Low	50.2	Low	179 Å²	179	143.6 Å²	143.6	79%	0.785	81%	0.81	S	S	*	*			trans	-79.8	103.9	166.4	-86.8	-89.8	0	0	0	108.8	A7 L11	A7-F9 HydrophobicContact CB-CD2 4.43Å; A7-F9 HydrophobicContact CB-CE2 4.29Å; A7-F9 PolarHBondContact O-N 3.28Å; A7-F9 VanDerWaalsContact O-N 3.08Å; F9-L11 PolarHBondContact O-N 3.48Å
10	L	47.5	Very low	50.3	Low	158 Å²	158	142.3 Å²	142.3	83%	0.827	81%	0.811	S	S	*	*			trans	-75.9	100.3	160.8	-69.3	173.1	0	0	0	107.6	S8 L12	S8-L10 PolarHBondContact O-N 3.43Å; L10-L12 PolarHBondContact O-N 3.44Å; L10-L12 VanDerWaalsContact O-N 3.13Å
11	L	55.4	Low	50.1	Low	163 Å²	163	138.1 Å²	138.1	85%	0.853	80%	0.799	S	S	*	*			trans	-76.1	91.4	166.7	-72.4	169.6	0	0	0	108.4	F9 G13	F9-L11 PolarHBondContact O-N 3.48Å; L11-G13 VanDerWaalsContact C-N 3.32Å; L11-G13 PolarHBondContact O-N 2.87Å; L11-G13 VanDerWaalsContact O-N 3.09Å
12	L	48.5	Very low	50.2	Low	170 Å²	170	135.3 Å²	135.3	89%	0.89	78%	0.783	S	S	*	*			trans	-74.9	90.5	163	-78.3	163.6	0	0	0	108	L10 L14	L10-L12 PolarHBondContact O-N 3.44Å; L10-L12 VanDerWaalsContact O-N 3.13Å; L12-L14 PolarHBondContact O-N 3.03Å
13	G	56.7	Low	50.6	Low	74 Å²	74	136.9 Å²	136.9	76%	0.763	79%	0.786	S	S	*	*			trans	-70.9	107.2	170.5	0	0	0	0	0	110.4	L11 H15	L11-G13 VanDerWaalsContact C-N 3.32Å; L11-G13 PolarHBondContact O-N 2.87Å; L11-G13 VanDerWaalsContact O-N 3.09Å; G13-H15 PolarHBondContact O-N 3.34Å
14	L	50.6	Low	50.8	Low	147 Å²	147	134.8 Å²	134.8	77%	0.77	78%	0.779	S	S	*	*			trans	-87.7	98.9	162.6	-142.9	84.9	0	0	0	107.4	L12 L16	L12-L14 PolarHBondContact O-N 3.03Å; L14-L16 VanDerWaalsContact C-N 3.28Å; L14-L16 HydrophobicContact CD2-CD1 4.43Å; L14-L16 HydrophobicContact CD2-CD2 4.23Å; L14-L16 HydrophobicContact CD2-CG 4.13Å; L14-L16 PolarHBondContact O-N 3.15Å
15	H	53.5	Low	50.6	Low	189 Å²	189	135.1 Å²	135.1	88%	0.875	78%	0.777	S	S	*	*			trans	-74.6	87.1	169.7	-119.4	47.6	0	0	0	108.3	G13 A17	G13-H15 PolarHBondContact O-N 3.34Å; H15-A17 VanDerWaalsContact C-N 3.27Å; H15-A17 PolarHBondContact O-N 2.93Å; H15-A17 VanDerWaalsContact O-N 3.1Å
16	L	49.1	Very low	50.2	Low	146 Å²	146	135.6 Å²	135.6	76%	0.764	77%	0.773	S	S	*	*			trans	-75.2	92.3	158.8	-68.2	175.4	0	0	0	106.6	L14 G18	L14-L16 VanDerWaalsContact C-N 3.28Å; L14-L16 HydrophobicContact CD2-CD1 4.43Å; L14-L16 HydrophobicContact CD2-CD2 4.23Å; L14-L16 HydrophobicContact CD2-CG 4.13Å; L14-L16 PolarHBondContact O-N 3.15Å; L16-G18 PolarHBondContact O-N 2.85Å
17	A	55.7	Low	50.1	Low	103 Å²	103	137.1 Å²	137.1	85%	0.851	77%	0.77	S	S	*	*			trans	-62	92.8	154.9	0	0	0	0	0	106.7	H15	H15-A17 VanDerWaalsContact C-N 3.27Å; H15-A17 PolarHBondContact O-N 2.93Å; H15-A17 VanDerWaalsContact O-N 3.1Å
18	G	49.9	Very low	50.1	Low	59 Å²	59	139.2 Å²	139.2	61%	0.608	77%	0.772	S	S	*	*			trans	-132	88.6	-173.2	0	0	0	0	0	110.3	L16	L16-G18 PolarHBondContact O-N 2.85Å
19	V	46.5	Very low	50.5	Low	133 Å²	133	140.6 Å²	140.6	81%	0.806	77%	0.766	S	S	*	*			trans	45.9	118.6	153.8	-172.9	0	0	0	0	116.4	G21	V19-G21 PolarHBondContact O-N 3.15Å
20	S	52.2	Low	51.5	Low	117 Å²	117	137.8 Å²	137.8	82%	0.818	76%	0.755	S	S	*	*			trans	-59.1	84.3	151.8	-179.1	0	0	0	0	107.9	Q22	S20-Q22 PolarHBondContact O-N 2.88Å
21	G	47.5	Very low	53.5	Low	55 Å²	55	135 Å²	135	57%	0.567	74%	0.738	S	S	*	*			trans	-72.3	102.1	162.4	0	0	0	0	0	104.3	V19 Q23	V19-G21 PolarHBondContact O-N 3.15Å; G21-Q23 PolarHBondContact O-N 2.92Å
22	Q	44.7	Very low	55.4	Low	166 Å²	166	128.6 Å²	128.6	78%	0.776	71%	0.705	S	S	*	*			trans	-50.8	104.5	150.9	-68	175.4	-81.7	0	0	104.2	S20 Q24	S20-Q22 PolarHBondContact O-N 2.88Å; Q22-Q24 PolarHBondContact O-N 2.76Å
23	Q	50.1	Low	57.8	Low	186 Å²	186	127.1 Å²	127.1	87%	0.869	69%	0.688	S	S	*	*			trans	-61.3	86.1	155.5	-84.6	176.2	-40	0	0	103.8	G21 E25	G21-Q23 PolarHBondContact O-N 2.92Å; Q23-E25 PolarHBondContact O-N 2.83Å
24	Q	44.4	Very low	59.7	Low	156 Å²	156	127.1 Å²	127.1	73%	0.729	67%	0.668	S	S	*	*			trans	-58	96.8	152.5	-164.9	86.6	16.7	0	0	102.3	Q22 K26	Q22-Q24 PolarHBondContact O-N 2.76Å; Q24-K26 PolarHBondContact O-N 2.68Å
25	E	50.1	Low	62	Low	167 Å²	167	123.1 Å²	123.1	78%	0.78	65%	0.652	S	S	*	*			trans	-54.3	95.4	156.2	-71.4	-172.5	163.5	0	0	104.1	Q23 H27	Q23-E25 PolarHBondContact O-N 2.83Å; E25-H27 PolarHBondContact O-N 3.4Å
26	K	43	Very low	64.1	Low	163 Å²	163	116.7 Å²	116.7	71%	0.709	63%	0.627	S	S	*	*			trans	-64.2	88.4	165.1	-176.5	-177.2	177.6	-110.5	0	102.7	Q24 D28	Q24-K26 PolarHBondContact O-N 2.68Å; K26-D28 IonicContact NZ-OD1 2.72Å; K26-D28 PolarHBondContact NZ-OD1 2.93Å; K26-D28 PolarHBondContact O-N 2.87Å
27	H	49.8	Very low	66.3	Low	165 Å²	165	119.5 Å²	119.5	76%	0.764	64%	0.637	S	S	*	*			trans	-58.4	96.5	164.9	-143	-78	0	0	0	102.7	E25 Q29	E25-H27 PolarHBondContact O-N 3.4Å; H27-Q29 PolarHBondContact O-N 2.68Å
28	D	52.2	Low	68.3	Low	112 Å²	112	119.5 Å²	119.5	60%	0.599	63%	0.63	S	S	*	*			trans	-56.7	103.1	171.4	-81.8	-33.7	0	0	0	103.8	K26 Q30	K26-D28 IonicContact NZ-OD1 2.72Å; K26-D28 PolarHBondContact NZ-OD1 2.93Å; K26-D28 PolarHBondContact O-N 2.87Å; D28-Q30 PolarHBondContact O-N 2.94Å
29	Q	60.8	Low	70.6	Confident	144 Å²	144	120.4 Å²	120.4	67%	0.673	62%	0.621	S	S	*	*			trans	-71.4	94.7	-172.6	-160	-178.7	-25.2	0	0	105	H27 Q31 E54	H27-Q29 PolarHBondContact O-N 2.68Å; Q29-Q31 WeakPolarHBondContact O-CG 3.46Å; Q29-Q31 PolarHBondContact O-N 3.1Å; Q29-E54 PolarHBondContact NE2-OE2 2.8Å
30	Q	73.1	Confident	73	Confident	120 Å²	120	120.5 Å²	120.5	56%	0.561	62%	0.622	S	S	*	*			trans	-63.4	101	-172.3	-162.4	-171.3	-25.7	0	0	108.3	D28 V32	D28-Q30 PolarHBondContact O-N 2.94Å; Q30-V32 VanDerWaalsContact CD-O 3.25Å; Q30-V32 WeakPolarHBondContact CG-O 3.37Å; Q30-V32 PolarHBondContact NE2-O 3.3Å; Q30-V32 PolarHBondContact O-N 3.48Å; Q30-V32 VanDerWaalsContact O-N 3.16Å
31	Q	89.7	Confident	75.2	Confident	100 Å²	100	117.2 Å²	117.2	47%	0.467	60%	0.597	S	S	.	*	S	Bend	trans	-69.6	-13.2	-172	-63.2	-168.9	-54.6	0	0	113.3	Q29 Y53 E54 F58	Q29-Q31 WeakPolarHBondContact O-CG 3.46Å; Q29-Q31 PolarHBondContact O-N 3.1Å; Q31-Y53 CarbonylContact O-C 3.53Å; Q31-Y53 VanDerWaalsContact O-CA 3.22Å; Q31-Y53 WeakPolarHBondContact O-CA 3.46Å; Q31-E54 PolarHBondContact O-N 2.81Å; Q31-F58 HydrophobicContact CB-CE2 4.22Å; Q31-F58 HydrophobicContact CB-CZ 4.35Å
32	V	95.9	Very high	77.6	Confident	29 Å²	29	123.9 Å²	123.9	18%	0.176	61%	0.605	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.2	137.1	174.2	-66.5	0	0	0	0	111	Q30 S52 A120	Q30-V32 VanDerWaalsContact CD-O 3.25Å; Q30-V32 WeakPolarHBondContact CG-O 3.37Å; Q30-V32 PolarHBondContact NE2-O 3.3Å; Q30-V32 PolarHBondContact O-N 3.48Å; Q30-V32 VanDerWaalsContact O-N 3.16Å; V32-S52 CarbonylContact C-O 3.6Å; V32-S52 VanDerWaalsContact CA-O 3.22Å; V32-S52 WeakPolarHBondContact CA-O 3.33Å; V32-A120 HydrophobicContact CG1-CB 3.67Å
33	R	97.5	Very high	80.1	Confident	139 Å²	139	123 Å²	123	53%	0.525	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.9	130.4	178.4	-52	-178.8	-174.5	-146.1	2.1	110	C51 S52 E54	R33-C51 CarbonylContact O-C 3.53Å; R33-C51 VanDerWaalsContact O-CA 3.3Å; R33-C51 WeakPolarHBondContact O-CA 3.38Å; R33-S52 PolarHBondContact N-O 2.93Å; R33-S52 PolarHBondContact O-N 2.77Å; R33-E54 IonicContact CZ-OE1 3.76Å; R33-E54 IonicContact NE-OE1 3.58Å; R33-E54 IonicContact NH2-OE1 3.04Å; R33-E54 PolarHBondContact NH2-OE1 3.02Å
34	Q	97.8	Very high	82.4	Confident	73 Å²	73	116 Å²	116	34%	0.341	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.6	146.4	-177.7	-72.7	-178.2	-114.3	0	0	112.4	N50 C51 Y116 C118	Q34-N50 VanDerWaalsContact CA-O 3.31Å; Q34-N50 WeakPolarHBondContact CA-O 3.48Å; Q34-C51 HydrophobicContact CG-CB 4.47Å; Q34-Y116 PolarHBondContact NE2-O 2.72Å; Q34-C118 VanDerWaalsContact CD-N 3.29Å; Q34-C118 VanDerWaalsContact CD-SG 3.51Å; Q34-C118 HydrophobicContact CG-CB 4.14Å; Q34-C118 WeakPolarHBondContact CG-SG 3.46Å
35	S	97.5	Very high	85	Confident	63 Å²	63	113.5 Å²	113.5	44%	0.441	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-151.5	150.4	171.5	64.2	0	0	0	0	112.9	N50	S35-N50 PolarHBondContact N-O 2.88Å; S35-N50 PolarHBondContact O-N 2.98Å
36	P	98	Very high	87.3	Confident	54 Å²	54	109.1 Å²	109.1	35%	0.351	55%	0.552	S	S	.	*			cis	-70.3	169	-11.4	34.3	-37.7	0	0	0	112	S38 L39	P36-S38 VanDerWaalsContact C-N 3.3Å; P36-S38 WeakPolarHBondContact CB-O 3.43Å; P36-S38 WeakPolarHBondContact CG-O 3.27Å; P36-L39 HydrophobicContact CG-CB 3.95Å; P36-L39 HydrophobicContact CG-CD1 4.35Å
37	Q	96.2	Very high	89.9	Confident	206 Å²	206	101.8 Å²	101.8	96%	0.963	52%	0.522	S	S	*	.	S	Bend	trans	-71.6	-27.1	174.8	-69.3	179.8	-5.1	0	0	112.7
38	S	97.1	Very high	92.3	Very high	102 Å²	102	97.3 Å²	97.3	71%	0.713	50%	0.503	S	S	*	.	S	Bend	trans	-146.8	144.1	175.4	-179.7	0	0	0	0	108.5	P36	P36-S38 VanDerWaalsContact C-N 3.3Å; P36-S38 WeakPolarHBondContact CB-O 3.43Å; P36-S38 WeakPolarHBondContact CG-O 3.27Å
39	L	97.5	Very high	94.5	Very high	79 Å²	79	93 Å²	93	41%	0.414	48%	0.479	S	S	.	.			trans	-139.1	127.3	-178.9	179.8	63	0	0	0	108.8	P36 A47 L49	P36-L39 HydrophobicContact CG-CB 3.95Å; P36-L39 HydrophobicContact CG-CD1 4.35Å; L39-A47 HydrophobicContact CD2-CB 3.92Å; L39-L49 HydrophobicContact CD2-CD2 4.07Å
40	T	97.9	Very high	96.3	Very high	134 Å²	134	89.2 Å²	89.2	82%	0.822	46%	0.464	S	S	*	.			trans	-107.6	129.7	166.2	-56.3	0	0	0	0	107.6
41	V	97.5	Very high	97.5	Very high	49 Å²	49	83.7 Å²	83.7	30%	0.297	44%	0.438	S	S	.	.			trans	-132.1	145.8	-178.8	67.7	0	0	0	0	108.8	E45 A47	V41-E45 HydrophobicContact CG2-CB 3.68Å; V41-A47 HydrophobicContact CB-CB 4.45Å; V41-A47 HydrophobicContact CG1-CB 4.18Å; V41-A47 HydrophobicContact CG2-CB 4.38Å
42	W	98	Very high	97.9	Very high	195 Å²	195	80.8 Å²	80.8	74%	0.739	43%	0.429	S	S	*	.			trans	-79.4	153.8	174.8	-63.7	105.2	0	0	0	111.3	G44 E45	W42-G44 PolarHBondContact O-N 2.88Å; W42-E45 HydrophobicContact CB-CG 4.05Å; W42-E45 PolarHBondContact N-OE2 2.79Å; W42-E45 WeakPolarHBondContact O-CB 3.42Å; W42-E45 PolarHBondContact O-N 3.36Å; W42-E45 VanDerWaalsContact O-N 3.1Å
43	E	98.2	Very high	98	Very high	146 Å²	146	80 Å²	80	68%	0.682	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	136.3	173.3	-171.1	173.8	-179	0	0	110.3	E45 S108	E43-E45 PolarHBondContact O-N 3.32Å; E43-S108 CarbonylContact C-O 3.54Å; E43-S108 VanDerWaalsContact CA-O 3.27Å; E43-S108 WeakPolarHBondContact CA-O 3.49Å; E43-S108 WeakPolarHBondContact CG-O 3.34Å
44	G	98	Very high	97.9	Very high	40 Å²	40	76.2 Å²	76.2	41%	0.412	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-15.6	-175.4	0	0	0	0	0	115.3	W42 S108	W42-G44 PolarHBondContact O-N 2.88Å; G44-S108 PolarHBondContact N-O 3.21Å
45	E	98.6	Very high	97.7	Very high	103 Å²	103	75.3 Å²	75.3	48%	0.481	41%	0.409	S	S	.	.	S	Bend	trans	-79.4	168.4	175.5	-69.8	-168.7	149.9	0	0	112.4	V41 W42 E43 S108	V41-E45 HydrophobicContact CG2-CB 3.68Å; W42-E45 HydrophobicContact CB-CG 4.05Å; W42-E45 PolarHBondContact N-OE2 2.79Å; W42-E45 WeakPolarHBondContact O-CB 3.42Å; W42-E45 PolarHBondContact O-N 3.36Å; W42-E45 VanDerWaalsContact O-N 3.1Å; E43-E45 PolarHBondContact O-N 3.32Å; E45-S108 VanDerWaalsContact O-CB 3.26Å; E45-S108 WeakPolarHBondContact O-CB 3.4Å; E45-S108 PolarHBondContact O-N 2.99Å; E45-S108 PolarHBondContact O-OG 3.23Å
46	T	98.7	Very high	97.5	Very high	75 Å²	75	75.9 Å²	75.9	46%	0.46	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-94	119.8	176.8	-59.4	0	0	0	0	111.3	I48 H104 I105	T46-I48 HydrophobicContact CG2-CG1 4.1Å; T46-H104 HydrophobicContact CG2-CB 4.31Å; T46-I105 CarbonylContact C-O 3.59Å; T46-I105 VanDerWaalsContact CA-O 3.27Å; T46-I105 WeakPolarHBondContact CA-O 3.31Å
47	A	98.6	Very high	97.4	Very high	9 Å²	9	78.4 Å²	78.4	7%	0.074	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	136.9	169.2	0	0	0	0	0	110.3	L39 V41 H104 I105	L39-A47 HydrophobicContact CD2-CB 3.92Å; V41-A47 HydrophobicContact CB-CB 4.45Å; V41-A47 HydrophobicContact CG1-CB 4.18Å; V41-A47 HydrophobicContact CG2-CB 4.38Å; A47-H104 CarbonylContact O-C 3.54Å; A47-H104 WeakPolarHBondContact O-CA 3.3Å; A47-I105 HydrophobicContact CB-CB 4.11Å; A47-I105 HydrophobicContact CB-CD1 4.45Å; A47-I105 HydrophobicContact CB-CG1 4.38Å; A47-I105 PolarHBondContact N-O 3.01Å; A47-I105 PolarHBondContact O-N 2.75Å
48	I	98.8	Very high	97.4	Very high	71 Å²	71	69.7 Å²	69.7	36%	0.364	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	117.8	179	-57.2	177	0	0	0	109.5	T46 L103	T46-I48 HydrophobicContact CG2-CG1 4.1Å; I48-L103 WeakPolarHBondContact CA-O 3.47Å
49	L	98.8	Very high	97.4	Very high	21 Å²	21	69.2 Å²	69.2	11%	0.11	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.2	174.9	-59.8	171.7	0	0	0	109	L39 W63 S102 L103 Y116	L39-L49 HydrophobicContact CD2-CD2 4.07Å; L49-W63 HydrophobicContact CB-CH2 3.58Å; L49-W63 HydrophobicContact CB-CZ2 4.25Å; L49-W63 HydrophobicContact CB-CZ3 3.94Å; L49-W63 HydrophobicContact CD1-CZ3 4.15Å; L49-S102 CarbonylContact O-C 3.44Å; L49-S102 WeakPolarHBondContact O-CA 3.24Å; L49-S102 VanDerWaalsContact O-CB 3.23Å; L49-S102 WeakPolarHBondContact O-CB 3.45Å; L49-L103 HydrophobicContact CB-CB 4.42Å; L49-L103 HydrophobicContact CD1-CD2 4.33Å; L49-L103 PolarHBondContact N-O 2.76Å; L49-L103 PolarHBondContact O-N 2.78Å; L49-Y116 VanDerWaalsContact CD1-CB 3.44Å; L49-Y116 HydrophobicContact CD1-CD1 4.09Å; L49-Y116 HydrophobicContact CD1-CD2 3.88Å; L49-Y116 HydrophobicContact CD1-CG 3.54Å
50	N	98.7	Very high	97.4	Very high	66 Å²	66	68.5 Å²	68.5	35%	0.353	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	146.3	-176.2	-59.4	-78.3	0	0	0	110.6	Q34 S35	Q34-N50 VanDerWaalsContact CA-O 3.31Å; Q34-N50 WeakPolarHBondContact CA-O 3.48Å; S35-N50 PolarHBondContact N-O 2.88Å; S35-N50 PolarHBondContact O-N 2.98Å
51	C	98.5	Very high	97.4	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.02	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	133.7	172.7	-174.5	0	0	0	0	109.8	R33 Q34 W63 K100 F101 C118	R33-C51 CarbonylContact O-C 3.53Å; R33-C51 VanDerWaalsContact O-CA 3.3Å; R33-C51 WeakPolarHBondContact O-CA 3.38Å; Q34-C51 HydrophobicContact CG-CB 4.47Å; C51-W63 HydrophobicContact CB-CH2 4.25Å; C51-W63 HydrophobicContact CB-CZ2 3.83Å; C51-K100 CarbonylContact O-C 3.56Å; C51-K100 VanDerWaalsContact O-CA 3.25Å; C51-K100 WeakPolarHBondContact O-CA 3.29Å; C51-F101 WeakPolarHBondContact CA-O 3.08Å; C51-F101 HydrophobicContact CB-CD1 4.01Å; C51-F101 HydrophobicContact CB-CD2 4.37Å; C51-F101 HydrophobicContact CB-CE1 3.65Å; C51-F101 HydrophobicContact CB-CE2 4.04Å; C51-F101 HydrophobicContact CB-CG 4.36Å; C51-F101 HydrophobicContact CB-CZ 3.67Å; C51-F101 WeakPolarHBondContact CB-O 3.31Å; C51-F101 PolarHBondContact N-O 2.92Å; C51-F101 PolarHBondContact O-N 2.72Å; C51-F101 VanDerWaalsContact O-O 3.05Å; C51-F101 WeakPolarHBondContact SG-CE1 3.36Å; C51-F101 WeakPolarHBondContact SG-CZ 3.07Å; C51-C118 HydrophobicContact CB-CB 3.46Å; C51-C118 VanDerWaalsContact CB-CB 3.46Å; C51-C118 WeakPolarHBondContact CB-SG 3.38Å; C51-C118 WeakPolarHBondContact SG-CB 3.49Å; C51-C118 CovalentContact SG-SG 2.03Å; C51-C118 PolarHBondContact SG-SG 2.81Å
52	S	98.3	Very high	97.5	Very high	40 Å²	40	59.9 Å²	59.9	28%	0.28	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	149.6	169.3	61.4	0	0	0	0	110.1	V32 R33 K99	V32-S52 CarbonylContact C-O 3.6Å; V32-S52 VanDerWaalsContact CA-O 3.22Å; V32-S52 WeakPolarHBondContact CA-O 3.33Å; R33-S52 PolarHBondContact N-O 2.93Å; R33-S52 PolarHBondContact O-N 2.77Å; S52-K99 CarbonylContact C-O 3.57Å; S52-K99 VanDerWaalsContact CA-O 3.24Å; S52-K99 WeakPolarHBondContact CA-O 3.33Å
53	Y	97.1	Very high	97.5	Very high	11 Å²	11	50.6 Å²	50.6	4%	0.043	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	155.2	179.5	66.2	-85.9	0	0	0	111.9	Q31 D55 F58 F61 F94 K99 F101	Q31-Y53 CarbonylContact O-C 3.53Å; Q31-Y53 VanDerWaalsContact O-CA 3.22Å; Q31-Y53 WeakPolarHBondContact O-CA 3.46Å; Y53-D55 WeakPolarHBondContact CD2-O 3.26Å; Y53-D55 WeakPolarHBondContact CE2-O 3.43Å; Y53-F58 HydrophobicContact CD2-CD2 4.09Å; Y53-F61 HydrophobicContact CD1-CD1 4.2Å; Y53-F61 AromaticContact CD1-CE1 3.57Å; Y53-F61 HydrophobicContact CD1-CE1 3.57Å; Y53-F61 HydrophobicContact CD1-CZ 4.41Å; Y53-F61 AromaticContact CD2-CE1 3.94Å; Y53-F61 HydrophobicContact CD2-CE1 3.94Å; Y53-F61 HydrophobicContact CD2-CZ 4.4Å; Y53-F61 HydrophobicContact CE1-CD1 4.29Å; Y53-F61 AromaticContact CE1-CE1 3.51Å; Y53-F61 HydrophobicContact CE1-CE1 3.51Å; Y53-F61 AromaticContact CE1-CZ 3.95Å; Y53-F61 HydrophobicContact CE1-CZ 3.95Å; Y53-F61 AromaticContact CE2-CE1 3.89Å; Y53-F61 HydrophobicContact CE2-CE1 3.89Å; Y53-F61 AromaticContact CE2-CZ 3.93Å; Y53-F61 HydrophobicContact CE2-CZ 3.93Å; Y53-F61 AromaticContact CG-CE1 3.79Å; Y53-F61 HydrophobicContact CG-CE1 3.79Å; Y53-F61 AromaticContact CZ-CE1 3.69Å; Y53-F61 AromaticContact CZ-CZ 3.7Å; Y53-F94 AromaticContact CE1-CE2 3.89Å; Y53-F94 HydrophobicContact CE1-CE2 3.89Å; Y53-F94 HydrophobicContact CE1-CZ 4.24Å; Y53-F94 WeakPolarHBondContact OH-CZ 3.43Å; Y53-K99 VanDerWaalsContact CD1-C 3.46Å; Y53-K99 HydrophobicContact CD1-CB 4.12Å; Y53-K99 WeakPolarHBondContact CD1-O 3.4Å; Y53-K99 HydrophobicContact CD2-CB 4.28Å; Y53-K99 HydrophobicContact CE1-CB 3.87Å; Y53-K99 HydrophobicContact CE2-CB 4.04Å; Y53-K99 HydrophobicContact CE2-CG 4.18Å; Y53-K99 HydrophobicContact CG-CB 4.32Å; Y53-K99 PolarHBondContact N-O 2.9Å; Y53-K99 VanDerWaalsContact O-CB 3.24Å; Y53-K99 WeakPolarHBondContact O-CB 3.37Å; Y53-K99 WeakPolarHBondContact O-CD 3.33Å; Y53-F101 HydrophobicContact CD1-CD1 4.13Å; Y53-F101 HydrophobicContact CD1-CE1 4.28Å
54	E	95.8	Very high	97.5	Very high	60 Å²	60	47 Å²	47	28%	0.28	26%	0.261	S	S	.	.	S	Bend	trans	-96.3	-41.1	-176	-64.8	-171.3	-178.6	0	0	112.6	Q29 Q31 R33 K99	Q29-E54 PolarHBondContact NE2-OE2 2.8Å; Q31-E54 PolarHBondContact O-N 2.81Å; R33-E54 IonicContact CZ-OE1 3.76Å; R33-E54 IonicContact NE-OE1 3.58Å; R33-E54 IonicContact NH2-OE1 3.04Å; R33-E54 PolarHBondContact NH2-OE1 3.02Å; E54-K99 PolarHBondContact O-NZ 3.34Å
55	D	94.6	Very high	97.6	Very high	54 Å²	54	46.9 Å²	46.9	29%	0.289	25%	0.25	S	C	.	.			trans	-83.3	122	-174.1	-160.4	-21.4	0	0	0	112.8	Y53 T57 F58	Y53-D55 WeakPolarHBondContact CD2-O 3.26Å; Y53-D55 WeakPolarHBondContact CE2-O 3.43Å; D55-T57 VanDerWaalsContact CG-OG1 3.24Å; D55-T57 PolarHBondContact O-N 2.58Å; D55-T57 PolarHBondContact OD1-N 2.78Å; D55-T57 PolarHBondContact OD1-OG1 2.96Å; D55-T57 PolarHBondContact OD2-OG1 2.91Å; D55-F58 HydrophobicContact CB-CD1 4.08Å; D55-F58 HydrophobicContact CB-CD2 3.73Å; D55-F58 HydrophobicContact CB-CE1 3.83Å; D55-F58 HydrophobicContact CB-CE2 3.48Å; D55-F58 VanDerWaalsContact CB-CE2 3.48Å; D55-F58 HydrophobicContact CB-CG 4.05Å; D55-F58 HydrophobicContact CB-CZ 3.53Å; D55-F58 WeakPolarHBondContact O-CD2 3.27Å
56	S	93.3	Very high	97.6	Very high	76 Å²	76	44.6 Å²	44.6	53%	0.531	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-11.5	178.1	-62.1	0	0	0	0	113.6	K99	S56-K99 WeakPolarHBondContact OG-CE 3.36Å; S56-K99 PolarHBondContact OG-NZ 2.83Å
57	T	94.9	Very high	97.5	Very high	107 Å²	107	43.8 Å²	43.8	66%	0.656	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-16.4	179	65.9	0	0	0	0	113.2	D55 D59	D55-T57 VanDerWaalsContact CG-OG1 3.24Å; D55-T57 PolarHBondContact O-N 2.58Å; D55-T57 PolarHBondContact OD1-N 2.78Å; D55-T57 PolarHBondContact OD1-OG1 2.96Å; D55-T57 PolarHBondContact OD2-OG1 2.91Å; T57-D59 PolarHBondContact O-N 3.15Å
58	F	96.3	Very high	97.5	Very high	22 Å²	22	49.2 Å²	49.2	10%	0.096	26%	0.264	C	S	.	.			trans	-60.5	135.2	177.7	-62.4	-26.6	0	0	0	111.6	Q31 Y53 D55 F61 A120 S121	Q31-F58 HydrophobicContact CB-CE2 4.22Å; Q31-F58 HydrophobicContact CB-CZ 4.35Å; Y53-F58 HydrophobicContact CD2-CD2 4.09Å; D55-F58 HydrophobicContact CB-CD1 4.08Å; D55-F58 HydrophobicContact CB-CD2 3.73Å; D55-F58 HydrophobicContact CB-CE1 3.83Å; D55-F58 HydrophobicContact CB-CE2 3.48Å; D55-F58 VanDerWaalsContact CB-CE2 3.48Å; D55-F58 HydrophobicContact CB-CG 4.05Å; D55-F58 HydrophobicContact CB-CZ 3.53Å; D55-F58 WeakPolarHBondContact O-CD2 3.27Å; F58-F61 HydrophobicContact CB-CE1 4.04Å; F58-F61 HydrophobicContact CB-CZ 3.83Å; F58-F61 WeakPolarHBondContact O-CZ 3.37Å; F58-A120 HydrophobicContact CB-CB 4.16Å; F58-A120 HydrophobicContact CD2-CB 3.36Å; F58-A120 HydrophobicContact CE2-CB 3.91Å; F58-A120 HydrophobicContact CG-CB 3.98Å; F58-S121 CarbonylContact C-O 3.58Å; F58-S121 WeakPolarHBondContact CA-O 3.46Å; F58-S121 VanDerWaalsContact CD1-C 3.45Å; F58-S121 WeakPolarHBondContact CD1-OXT 3.24Å
59	D	97	Very high	97.4	Very high	92 Å²	92	50.1 Å²	50.1	49%	0.492	29%	0.291	S	S	.	.			trans	-128.5	0	-176.1	79.6	-3.2	0	0	0	114	T57 R79 P80 S121	T57-D59 PolarHBondContact O-N 3.15Å; D59-R79 WeakPolarHBondContact O-CA 3.38Å; D59-R79 WeakPolarHBondContact O-CG 3.33Å; D59-P80 HydrophobicContact CB-CG 4.18Å; D59-P80 WeakPolarHBondContact O-CD 3.17Å; D59-S121 PolarHBondContact N-O 3.1Å
60	Y	97.9	Very high	97.3	Very high	64 Å²	64	54.4 Å²	54.4	25%	0.251	31%	0.311	S	S	.	.			trans	-131.6	121.2	177.3	-172	-115.4	0	0	0	111.5	P62 A77 R79 A120 S121	Y60-P62 HydrophobicContact CD1-CG 4.04Å; Y60-P62 HydrophobicContact CE1-CB 3.93Å; Y60-P62 HydrophobicContact CE1-CG 3.78Å; Y60-P62 WeakPolarHBondContact O-CD 2.96Å; Y60-A77 HydrophobicContact CD2-CB 4.44Å; Y60-A77 HydrophobicContact CE1-CB 4.46Å; Y60-A77 HydrophobicContact CE2-CB 3.52Å; Y60-A77 WeakPolarHBondContact OH-CB 3.27Å; Y60-R79 HydrophobicContact CD2-CG 4.33Å; Y60-A120 WeakPolarHBondContact O-CA 3.49Å; Y60-S121 PolarHBondContact N-O 2.79Å; Y60-S121 PolarHBondContact O-N 2.81Å; Y60-S121 VanDerWaalsContact O-N 3.08Å
61	F	98.5	Very high	97.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	81.8	-173	-58.1	-86.4	0	0	0	111.1	Y53 F58 A77 I78 P80 F94 F101 A120	Y53-F61 HydrophobicContact CD1-CD1 4.2Å; Y53-F61 AromaticContact CD1-CE1 3.57Å; Y53-F61 HydrophobicContact CD1-CE1 3.57Å; Y53-F61 HydrophobicContact CD1-CZ 4.41Å; Y53-F61 AromaticContact CD2-CE1 3.94Å; Y53-F61 HydrophobicContact CD2-CE1 3.94Å; Y53-F61 HydrophobicContact CD2-CZ 4.4Å; Y53-F61 HydrophobicContact CE1-CD1 4.29Å; Y53-F61 AromaticContact CE1-CE1 3.51Å; Y53-F61 HydrophobicContact CE1-CE1 3.51Å; Y53-F61 AromaticContact CE1-CZ 3.95Å; Y53-F61 HydrophobicContact CE1-CZ 3.95Å; Y53-F61 AromaticContact CE2-CE1 3.89Å; Y53-F61 HydrophobicContact CE2-CE1 3.89Å; Y53-F61 AromaticContact CE2-CZ 3.93Å; Y53-F61 HydrophobicContact CE2-CZ 3.93Å; Y53-F61 AromaticContact CG-CE1 3.79Å; Y53-F61 HydrophobicContact CG-CE1 3.79Å; Y53-F61 AromaticContact CZ-CE1 3.69Å; Y53-F61 AromaticContact CZ-CZ 3.7Å; F58-F61 HydrophobicContact CB-CE1 4.04Å; F58-F61 HydrophobicContact CB-CZ 3.83Å; F58-F61 WeakPolarHBondContact O-CZ 3.37Å; F61-A77 WeakPolarHBondContact O-CA 2.89Å; F61-I78 HydrophobicContact CB-CG2 3.9Å; F61-I78 PolarHBondContact N-O 2.03Å; F61-I78 PolarHBondContact O-N 2.98Å; F61-I78 VanDerWaalsContact O-N 3.15Å; F61-P80 HydrophobicContact CE2-CB 4.29Å; F61-P80 HydrophobicContact CE2-CG 4.09Å; F61-F94 AromaticContact CD1-CE2 3.98Å; F61-F94 HydrophobicContact CD1-CE2 3.98Å; F61-F94 HydrophobicContact CD2-CD2 4.06Å; F61-F94 AromaticContact CD2-CE2 3.49Å; F61-F94 HydrophobicContact CD2-CE2 3.49Å; F61-F94 VanDerWaalsContact CD2-CE2 3.49Å; F61-F94 HydrophobicContact CD2-CZ 4.11Å; F61-F94 AromaticContact CE1-CE2 3.9Å; F61-F94 HydrophobicContact CE1-CE2 3.9Å; F61-F94 HydrophobicContact CE2-CD2 4.39Å; F61-F94 AromaticContact CE2-CE2 3.41Å; F61-F94 HydrophobicContact CE2-CE2 3.41Å; F61-F94 VanDerWaalsContact CE2-CE2 3.41Å; F61-F94 AromaticContact CE2-CZ 3.63Å; F61-F94 HydrophobicContact CE2-CZ 3.63Å; F61-F94 HydrophobicContact CG-CD2 4.2Å; F61-F94 AromaticContact CG-CE2 3.78Å; F61-F94 HydrophobicContact CG-CE2 3.78Å; F61-F94 AromaticContact CZ-CE2 3.62Å; F61-F94 HydrophobicContact CZ-CE2 3.62Å; F61-F94 AromaticContact CZ-CZ 3.86Å; F61-F94 HydrophobicContact CZ-CZ 3.86Å; F61-F101 HydrophobicContact CB-CD1 4.39Å; F61-F101 HydrophobicContact CB-CD2 4.1Å; F61-F101 HydrophobicContact CB-CE1 4.3Å; F61-F101 HydrophobicContact CB-CE2 4Å; F61-F101 HydrophobicContact CB-CG 4.31Å; F61-F101 HydrophobicContact CB-CZ 4.09Å; F61-F101 AromaticContact CD1-CD1 3.84Å; F61-F101 HydrophobicContact CD1-CD1 3.84Å; F61-F101 AromaticContact CD1-CE1 3.62Å; F61-F101 HydrophobicContact CD1-CE1 3.62Å; F61-F101 HydrophobicContact CD1-CZ 4.12Å; F61-F101 HydrophobicContact CE1-CE1 4.48Å; F61-F101 HydrophobicContact CG-CD1 4.42Å; F61-F101 HydrophobicContact CG-CE1 4.39Å; F61-A120 HydrophobicContact CD1-CB 3.71Å; F61-A120 HydrophobicContact CE1-CB 3.7Å
62	P	98.6	Very high	97.3	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.013	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	149.4	177.7	33.6	-37.6	0	0	0	113.4	Y60 Y64 L74 A77 A119	Y60-P62 HydrophobicContact CD1-CG 4.04Å; Y60-P62 HydrophobicContact CE1-CB 3.93Å; Y60-P62 HydrophobicContact CE1-CG 3.78Å; Y60-P62 WeakPolarHBondContact O-CD 2.96Å; P62-Y64 HydrophobicContact CB-CD2 4.43Å; P62-Y64 HydrophobicContact CB-CE2 3.72Å; P62-Y64 HydrophobicContact CG-CE2 3.6Å; P62-L74 HydrophobicContact CB-CD1 3.66Å; P62-A77 HydrophobicContact CB-CB 3.86Å; P62-A119 WeakPolarHBondContact CD-O 3.38Å; P62-A119 HydrophobicContact CG-CB 4.03Å; P62-A119 PolarHBondContact O-N 3.05Å
63	W	98.8	Very high	97.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	138.6	160	-80.1	93.7	0	0	0	109.7	L49 C51 L75 I76 F101 L103 F117 C118	L49-W63 HydrophobicContact CB-CH2 3.58Å; L49-W63 HydrophobicContact CB-CZ2 4.25Å; L49-W63 HydrophobicContact CB-CZ3 3.94Å; L49-W63 HydrophobicContact CD1-CZ3 4.15Å; C51-W63 HydrophobicContact CB-CH2 4.25Å; C51-W63 HydrophobicContact CB-CZ2 3.83Å; W63-L75 WeakPolarHBondContact O-CB 3.45Å; W63-L75 PolarHBondContact O-N 2.89Å; W63-I76 HydrophobicContact CB-CG2 4.27Å; W63-I76 PolarHBondContact N-O 3.1Å; W63-I76 PolarHBondContact O-N 2.83Å; W63-F101 AromaticContact CD1-CD2 3.94Å; W63-F101 AromaticContact CD1-CE2 3.82Å; W63-F101 AromaticContact CE2-CE2 3.95Å; W63-F101 HydrophobicContact CZ2-CE2 4.48Å; W63-F101 AromaticContact NE1-CD2 3.29Å; W63-F101 VanDerWaalsContact NE1-CD2 3.29Å; W63-F101 AromaticContact NE1-CE2 3.37Å; W63-L103 HydrophobicContact CB-CD2 4.22Å; W63-L103 HydrophobicContact CD2-CB 3.65Å; W63-L103 HydrophobicContact CD2-CD2 4.01Å; W63-L103 HydrophobicContact CD2-CG 4.42Å; W63-L103 HydrophobicContact CE3-CB 4.22Å; W63-L103 HydrophobicContact CE3-CD2 4.06Å; W63-L103 HydrophobicContact CG-CB 3.91Å; W63-L103 HydrophobicContact CG-CD2 4.09Å; W63-L103 HydrophobicContact CG-CG 4.42Å; W63-L103 HydrophobicContact CH2-CB 4.49Å; W63-L103 HydrophobicContact CZ2-CB 3.96Å; W63-F117 CarbonylContact C-O 3.52Å; W63-F117 WeakPolarHBondContact CA-O 3.24Å; W63-C118 HydrophobicContact CD2-CB 4.09Å; W63-C118 HydrophobicContact CE3-CB 4.08Å; W63-C118 HydrophobicContact CH2-CB 3.91Å; W63-C118 HydrophobicContact CZ2-CB 3.91Å; W63-C118 HydrophobicContact CZ3-CB 4Å
64	Y	98.8	Very high	97.3	Very high	70 Å²	70	62.8 Å²	62.8	28%	0.275	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	152.5	174.5	-59.6	-94.9	0	0	0	109.7	P62 A73 L74 Y116 F117 A119	P62-Y64 HydrophobicContact CB-CD2 4.43Å; P62-Y64 HydrophobicContact CB-CE2 3.72Å; P62-Y64 HydrophobicContact CG-CE2 3.6Å; Y64-A73 CarbonylContact C-O 3.59Å; Y64-A73 WeakPolarHBondContact CA-O 3.32Å; Y64-A73 WeakPolarHBondContact CB-O 3.48Å; Y64-L74 HydrophobicContact CD1-CB 4.2Å; Y64-L74 HydrophobicContact CD1-CD1 4.41Å; Y64-L74 HydrophobicContact CE1-CB 4Å; Y64-L74 HydrophobicContact CE1-CD1 3.99Å; Y64-Y116 WeakPolarHBondContact O-CA 3.25Å; Y64-F117 PolarHBondContact N-O 3.17Å; Y64-F117 PolarHBondContact O-N 2.72Å; Y64-A119 HydrophobicContact CE2-CB 4.31Å
65	H	98.4	Very high	97.5	Very high	38 Å²	38	61.1 Å²	61.1	18%	0.176	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	155.9	165.5	66.5	177.6	0	0	0	110.6	F67 P72 A73 A114 T115 Y116	H65-F67 AromaticContact CE1-CE2 3.71Å; H65-F67 AromaticContact ND1-CE2 3.89Å; H65-F67 AromaticContact ND1-CZ 3.89Å; H65-P72 CarbonylContact O-C 3.56Å; H65-P72 WeakPolarHBondContact O-CA 3.4Å; H65-A73 PolarHBondContact CD2-O 2.89Å; H65-A73 PolarHBondContact N-O 3.28Å; H65-A73 PolarHBondContact O-N 3.02Å; H65-A114 HydrophobicContact CB-CB 4.41Å; H65-T115 CarbonylContact C-O 3.59Å; H65-T115 WeakPolarHBondContact CA-O 3.41Å; H65-Y116 HydrophobicContact CB-CD1 4.03Å; H65-Y116 HydrophobicContact CB-CE1 3.88Å
66	Q	98.6	Very high	97.7	Very high	56 Å²	56	58.9 Å²	58.9	26%	0.262	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	111.3	174.7	-175.1	-177.6	22.9	0	0	108.8	E70 P72 A114 T115 F117	Q66-E70 VanDerWaalsContact CG-O 3.27Å; Q66-E70 WeakPolarHBondContact CG-O 3.39Å; Q66-E70 PolarHBondContact NE2-O 2.81Å; Q66-P72 HydrophobicContact CB-CG 4.41Å; Q66-P72 HydrophobicContact CG-CG 4.4Å; Q66-A114 WeakPolarHBondContact O-CB 3.38Å; Q66-T115 PolarHBondContact N-O 2.93Å; Q66-T115 PolarHBondContact O-N 2.94Å; Q66-F117 HydrophobicContact CB-CE2 3.8Å; Q66-F117 VanDerWaalsContact OE1-CE2 3.31Å
67	F	98.1	Very high	97.9	Very high	58 Å²	58	55.7 Å²	55.7	25%	0.254	33%	0.328	S	S	.	.			trans	-74.4	155.1	170	-64.7	-61.1	0	0	0	110.9	H65 G69 E70 G111 A114	H65-F67 AromaticContact CE1-CE2 3.71Å; H65-F67 AromaticContact ND1-CE2 3.89Å; H65-F67 AromaticContact ND1-CZ 3.89Å; F67-G69 PolarHBondContact O-N 2.97Å; F67-G69 VanDerWaalsContact O-N 3.15Å; F67-E70 HydrophobicContact CB-CB 4.41Å; F67-E70 HydrophobicContact CB-CG 4.25Å; F67-E70 PolarHBondContact O-N 2.99Å; F67-G111 VanDerWaalsContact CE1-O 3.24Å; F67-G111 WeakPolarHBondContact CE1-O 3.22Å; F67-A114 HydrophobicContact CD1-CB 3.76Å; F67-A114 HydrophobicContact CE1-CB 3.82Å
68	P	97	Very high	98.1	Very high	122 Å²	122	50.8 Å²	50.8	79%	0.792	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	121.5	177.2	-26.2	35.3	0	0	0	112.1
69	G	97.3	Very high	98.2	Very high	91 Å²	91	57.1 Å²	57.1	94%	0.938	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	-1.6	179.3	0	0	0	0	0	115.4	F67	F67-G69 PolarHBondContact O-N 2.97Å; F67-G69 VanDerWaalsContact O-N 3.15Å
70	E	97.6	Very high	98	Very high	111 Å²	111	54.5 Å²	54.5	52%	0.519	31%	0.309	S	S	.	.	S	Bend	trans	-103.9	166	177.8	-62.9	-172.7	-172	0	0	112.4	Q66 F67	Q66-E70 VanDerWaalsContact CG-O 3.27Å; Q66-E70 WeakPolarHBondContact CG-O 3.39Å; Q66-E70 PolarHBondContact NE2-O 2.81Å; F67-E70 HydrophobicContact CB-CB 4.41Å; F67-E70 HydrophobicContact CB-CG 4.25Å; F67-E70 PolarHBondContact O-N 2.99Å
71	S	97.6	Very high	97.9	Very high	92 Å²	92	57.8 Å²	57.8	64%	0.643	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-81.6	152.7	168.4	56	0	0	0	0	111.1	A73	S71-A73 PolarHBondContact O-N 2.82Å
72	P	98.1	Very high	97.8	Very high	69 Å²	69	60.6 Å²	60.6	45%	0.448	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-55.2	129.5	172.7	-24.7	34.3	0	0	0	112.2	H65 Q66 F117	H65-P72 CarbonylContact O-C 3.56Å; H65-P72 WeakPolarHBondContact O-CA 3.4Å; Q66-P72 HydrophobicContact CB-CG 4.41Å; Q66-P72 HydrophobicContact CG-CG 4.4Å; P72-F117 HydrophobicContact CG-CE2 4.35Å
73	A	98.4	Very high	97.8	Very high	41 Å²	41	66.2 Å²	66.2	34%	0.339	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.9	176.8	0	0	0	0	0	110.8	Y64 H65 S71 L75	Y64-A73 CarbonylContact C-O 3.59Å; Y64-A73 WeakPolarHBondContact CA-O 3.32Å; Y64-A73 WeakPolarHBondContact CB-O 3.48Å; H65-A73 PolarHBondContact CD2-O 2.89Å; H65-A73 PolarHBondContact N-O 3.28Å; H65-A73 PolarHBondContact O-N 3.02Å; S71-A73 PolarHBondContact O-N 2.82Å; A73-L75 PolarHBondContact O-N 3.08Å
74	L	98.6	Very high	97.7	Very high	94 Å²	94	70.4 Å²	70.4	49%	0.492	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	123.8	-179	178.5	67.4	0	0	0	109.4	P62 Y64 A77	P62-L74 HydrophobicContact CB-CD1 3.66Å; Y64-L74 HydrophobicContact CD1-CB 4.2Å; Y64-L74 HydrophobicContact CD1-CD1 4.41Å; Y64-L74 HydrophobicContact CE1-CB 4Å; Y64-L74 HydrophobicContact CE1-CD1 3.99Å; L74-A77 HydrophobicContact CD1-CB 4.35Å
75	L	98.5	Very high	97.7	Very high	25 Å²	25	71.5 Å²	71.5	13%	0.131	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-59.9	177.4	-177.7	65.8	0	0	0	110.8	W63 A73 F90 L103 Y116	W63-L75 WeakPolarHBondContact O-CB 3.45Å; W63-L75 PolarHBondContact O-N 2.89Å; A73-L75 PolarHBondContact O-N 3.08Å; L75-F90 HydrophobicContact CD1-CD1 4.16Å; L75-F90 HydrophobicContact CD1-CD2 4.04Å; L75-F90 HydrophobicContact CD1-CE1 3.95Å; L75-F90 HydrophobicContact CD1-CE2 3.82Å; L75-F90 HydrophobicContact CD1-CG 4.22Å; L75-F90 HydrophobicContact CD1-CZ 3.78Å; L75-F90 HydrophobicContact CD2-CD1 3.78Å; L75-F90 HydrophobicContact CD2-CE1 3.95Å; L75-F90 HydrophobicContact CD2-CG 4.33Å; L75-F90 HydrophobicContact CG-CD1 4.22Å; L75-F90 HydrophobicContact CG-CE1 4.41Å; L75-F90 HydrophobicContact CG-CG 4.31Å; L75-L103 HydrophobicContact CD2-CD1 4.34Å; L75-L103 HydrophobicContact CD2-CD2 3.65Å; L75-Y116 HydrophobicContact CD2-CD1 4.18Å; L75-Y116 HydrophobicContact CD2-CE1 3.87Å
76	I	98.7	Very high	97.7	Very high	7 Å²	7	75.3 Å²	75.3	4%	0.036	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	149.3	-177.6	-175.4	171.6	0	0	0	109.3	W63 K85 D87 F90 I92 L103	W63-I76 HydrophobicContact CB-CG2 4.27Å; W63-I76 PolarHBondContact N-O 3.1Å; W63-I76 PolarHBondContact O-N 2.83Å; I76-K85 HydrophobicContact CD1-CD 4.4Å; I76-K85 HydrophobicContact CD1-CG 4.18Å; I76-K85 HydrophobicContact CG1-CD 4.17Å; I76-K85 HydrophobicContact CG1-CG 4.49Å; I76-D87 HydrophobicContact CD1-CB 3.8Å; I76-D87 HydrophobicContact CG1-CB 4.48Å; I76-F90 HydrophobicContact CD1-CB 4.45Å; I76-F90 HydrophobicContact CG2-CB 4.36Å; I76-I92 HydrophobicContact CB-CD1 4.27Å; I76-I92 HydrophobicContact CD1-CD1 4.49Å; I76-I92 HydrophobicContact CD1-CG1 4.24Å; I76-I92 HydrophobicContact CG1-CD1 3.93Å; I76-I92 HydrophobicContact CG1-CG1 4.19Å; I76-I92 HydrophobicContact CG2-CD1 3.82Å; I76-I92 HydrophobicContact CG2-CG1 3.76Å; I76-L103 HydrophobicContact CG2-CD1 3.82Å
77	A	98.4	Very high	97.7	Very high	9 Å²	9	77.4 Å²	77.4	7%	0.074	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	143	178.7	0	0	0	0	0	113.1	Y60 F61 P62 L74 K85	Y60-A77 HydrophobicContact CD2-CB 4.44Å; Y60-A77 HydrophobicContact CE1-CB 4.46Å; Y60-A77 HydrophobicContact CE2-CB 3.52Å; Y60-A77 WeakPolarHBondContact OH-CB 3.27Å; F61-A77 WeakPolarHBondContact O-CA 2.89Å; P62-A77 HydrophobicContact CB-CB 3.86Å; L74-A77 HydrophobicContact CD1-CB 4.35Å; A77-K85 WeakPolarHBondContact O-CD 3.5Å; A77-K85 WeakPolarHBondContact O-CE 3.39Å; A77-K85 PolarHBondContact O-NZ 2.79Å
78	I	98.6	Very high	97.7	Very high	4 Å²	4	78.2 Å²	78.2	2%	0.021	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	153	178.7	-164.9	166.9	0	0	0	111.4	F61 K85 I92 F94	F61-I78 HydrophobicContact CB-CG2 3.9Å; F61-I78 PolarHBondContact N-O 2.03Å; F61-I78 PolarHBondContact O-N 2.98Å; F61-I78 VanDerWaalsContact O-N 3.15Å; I78-K85 HydrophobicContact CB-CB 4.31Å; I78-K85 HydrophobicContact CD1-CB 3.91Å; I78-K85 HydrophobicContact CG1-CB 4.11Å; I78-I92 HydrophobicContact CB-CB 4.41Å; I78-I92 HydrophobicContact CB-CD1 4.07Å; I78-I92 HydrophobicContact CB-CG2 4.19Å; I78-I92 HydrophobicContact CD1-CG2 4.43Å; I78-I92 HydrophobicContact CG2-CB 4.33Å; I78-I92 HydrophobicContact CG2-CD1 4.08Å; I78-I92 HydrophobicContact CG2-CG2 3.59Å; I78-F94 HydrophobicContact CD1-CB 3.95Å; I78-F94 HydrophobicContact CG2-CB 4.24Å; I78-F94 HydrophobicContact CG2-CD2 4.26Å; I78-F94 HydrophobicContact CG2-CG 4.49Å
79	R	97.9	Very high	97.8	Very high	154 Å²	154	75 Å²	75	58%	0.581	44%	0.437	S	S	*	.			trans	-111.8	150	168.6	-67	-167	-180	105.8	1	109.8	D59 Y60 V81 S82	D59-R79 WeakPolarHBondContact O-CA 3.38Å; D59-R79 WeakPolarHBondContact O-CG 3.33Å; Y60-R79 HydrophobicContact CD2-CG 4.33Å; R79-V81 HydrophobicContact CB-CG2 4.12Å; R79-V81 PolarHBondContact O-N 2.84Å; R79-S82 PolarHBondContact O-N 2.89Å; R79-S82 VanDerWaalsContact O-N 3.1Å
80	P	94.3	Very high	97.8	Very high	38 Å²	38	72.5 Å²	72.5	25%	0.247	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	16.9	-173.9	29.1	-33.8	0	0	0	114.9	D59 F61 S82 F94	D59-P80 HydrophobicContact CB-CG 4.18Å; D59-P80 WeakPolarHBondContact O-CD 3.17Å; F61-P80 HydrophobicContact CE2-CB 4.29Å; F61-P80 HydrophobicContact CE2-CG 4.09Å; P80-S82 VanDerWaalsContact C-N 3.32Å; P80-F94 HydrophobicContact CB-CD1 4.39Å; P80-F94 HydrophobicContact CB-CE1 3.5Å; P80-F94 VanDerWaalsContact CB-CE1 3.5Å; P80-F94 HydrophobicContact CB-CZ 3.73Å
81	V	94.9	Very high	97.9	Very high	132 Å²	132	68 Å²	68	80%	0.8	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.8	165.1	-61.6	0	0	0	0	112.2	R79	R79-V81 HydrophobicContact CB-CG2 4.12Å; R79-V81 PolarHBondContact O-N 2.84Å
82	S	96.4	Very high	98	Very high	60 Å²	60	63.6 Å²	63.6	42%	0.42	35%	0.35	S	S	.	.			trans	-134.5	148.9	177.5	-55.1	0	0	0	0	110.1	R79 P80	R79-S82 PolarHBondContact O-N 2.89Å; R79-S82 VanDerWaalsContact O-N 3.1Å; P80-S82 VanDerWaalsContact C-N 3.32Å
83	N	98	Very high	98	Very high	120 Å²	120	64.3 Å²	64.3	64%	0.642	35%	0.346	S	S	*	.	S	Bend	trans	-96.3	-5.4	175.6	65	-24.1	0	0	0	112.9	F94	N83-F94 PolarHBondContact O-N 2.8Å
84	K	98.4	Very high	98	Very high	87 Å²	87	63.1 Å²	63.1	38%	0.378	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	142.1	-177.4	-172.1	-176.8	179.3	-162.8	0	110.4	E86 T91 I92 F93	K84-E86 WeakPolarHBondContact CE-OE1 3.25Å; K84-E86 VanDerWaalsContact NZ-CD 3.29Å; K84-E86 IonicContact NZ-OE1 2.87Å; K84-E86 PolarHBondContact NZ-OE1 2.84Å; K84-E86 IonicContact NZ-OE2 2.58Å; K84-T91 HydrophobicContact CG-CG2 4.04Å; K84-I92 CarbonylContact C-O 3.59Å; K84-I92 VanDerWaalsContact CA-O 3.25Å; K84-I92 WeakPolarHBondContact CA-O 3.42Å; K84-F93 HydrophobicContact CD-CE1 3.99Å; K84-F93 HydrophobicContact CG-CD1 4.26Å; K84-F93 HydrophobicContact CG-CE1 4.08Å
85	K	98.6	Very high	98	Very high	93 Å²	93	61.4 Å²	61.4	40%	0.404	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	136.1	167.4	-174.5	178.8	175.9	168.7	0	109.7	I76 A77 I78 T91 I92	I76-K85 HydrophobicContact CD1-CD 4.4Å; I76-K85 HydrophobicContact CD1-CG 4.18Å; I76-K85 HydrophobicContact CG1-CD 4.17Å; I76-K85 HydrophobicContact CG1-CG 4.49Å; A77-K85 WeakPolarHBondContact O-CD 3.5Å; A77-K85 WeakPolarHBondContact O-CE 3.39Å; A77-K85 PolarHBondContact O-NZ 2.79Å; I78-K85 HydrophobicContact CB-CB 4.31Å; I78-K85 HydrophobicContact CD1-CB 3.91Å; I78-K85 HydrophobicContact CG1-CB 4.11Å; K85-T91 CarbonylContact O-C 3.57Å; K85-T91 VanDerWaalsContact O-CA 3.32Å; K85-T91 WeakPolarHBondContact O-CA 3.33Å; K85-I92 PolarHBondContact N-O 3.36Å; K85-I92 PolarHBondContact O-N 2.94Å
86	E	98.5	Very high	97.9	Very high	119 Å²	119	66.6 Å²	66.6	56%	0.556	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	143.1	-179.9	-64.7	178.3	146.7	0	0	110.2	K84 F90 T91	K84-E86 WeakPolarHBondContact CE-OE1 3.25Å; K84-E86 VanDerWaalsContact NZ-CD 3.29Å; K84-E86 IonicContact NZ-OE1 2.87Å; K84-E86 PolarHBondContact NZ-OE1 2.84Å; K84-E86 IonicContact NZ-OE2 2.58Å; E86-F90 CarbonylContact C-O 3.42Å; E86-F90 WeakPolarHBondContact CA-O 3.32Å; E86-T91 HydrophobicContact CG-CG2 3.84Å
87	D	98.1	Very high	97.7	Very high	99 Å²	99	77.4 Å²	77.4	53%	0.529	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	103.8	168.3	-170.3	1.5	0	0	0	109	I76 R89 F90	I76-D87 HydrophobicContact CD1-CB 3.8Å; I76-D87 HydrophobicContact CG1-CB 4.48Å; D87-R89 PolarHBondContact O-N 2.78Å; D87-R89 VanDerWaalsContact O-N 3.15Å; D87-F90 PolarHBondContact N-O 3.49Å; D87-F90 WeakPolarHBondContact O-CB 3.22Å; D87-F90 WeakPolarHBondContact O-CD2 3.09Å; D87-F90 PolarHBondContact O-N 2.94Å
88	G	98	Very high	97.7	Very high	75 Å²	75	82 Å²	82	77%	0.773	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	-118.6	-173	0	0	0	0	0	112.2	F90	G88-F90 VanDerWaalsContact C-N 3.35Å
89	R	98.4	Very high	97.6	Very high	56 Å²	56	85.1 Å²	85.1	21%	0.211	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-10.4	178.6	-64	-170.6	-60.9	106.6	-1.8	113.7	D87 A106 D107 D112	D87-R89 PolarHBondContact O-N 2.78Å; D87-R89 VanDerWaalsContact O-N 3.15Å; R89-A106 WeakPolarHBondContact CB-O 3.33Å; R89-A106 WeakPolarHBondContact CD-O 3.23Å; R89-A106 PolarHBondContact NH1-O 3.16Å; R89-A106 PolarHBondContact O-N 3.35Å; R89-D107 PolarHBondContact NH1-O 2.81Å; R89-D112 IonicContact CZ-OD1 3.73Å; R89-D112 IonicContact CZ-OD2 3.34Å; R89-D112 IonicContact NH1-OD1 3.79Å; R89-D112 IonicContact NH1-OD2 2.76Å; R89-D112 PolarHBondContact NH1-OD2 2.8Å; R89-D112 VanDerWaalsContact NH2-CG 3.29Å; R89-D112 IonicContact NH2-OD1 2.76Å; R89-D112 PolarHBondContact NH2-OD1 3.44Å; R89-D112 IonicContact NH2-OD2 3.02Å; R89-D112 PolarHBondContact NH2-OD2 3.03Å
90	F	98.8	Very high	97.6	Very high	37 Å²	37	82.3 Å²	82.3	16%	0.162	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.9	-175.9	-54.6	-73.6	0	0	0	110.9	L75 I76 E86 D87 G88 L103 H104 I105	L75-F90 HydrophobicContact CD1-CD1 4.16Å; L75-F90 HydrophobicContact CD1-CD2 4.04Å; L75-F90 HydrophobicContact CD1-CE1 3.95Å; L75-F90 HydrophobicContact CD1-CE2 3.82Å; L75-F90 HydrophobicContact CD1-CG 4.22Å; L75-F90 HydrophobicContact CD1-CZ 3.78Å; L75-F90 HydrophobicContact CD2-CD1 3.78Å; L75-F90 HydrophobicContact CD2-CE1 3.95Å; L75-F90 HydrophobicContact CD2-CG 4.33Å; L75-F90 HydrophobicContact CG-CD1 4.22Å; L75-F90 HydrophobicContact CG-CE1 4.41Å; L75-F90 HydrophobicContact CG-CG 4.31Å; I76-F90 HydrophobicContact CD1-CB 4.45Å; I76-F90 HydrophobicContact CG2-CB 4.36Å; E86-F90 CarbonylContact C-O 3.42Å; E86-F90 WeakPolarHBondContact CA-O 3.32Å; D87-F90 PolarHBondContact N-O 3.49Å; D87-F90 WeakPolarHBondContact O-CB 3.22Å; D87-F90 WeakPolarHBondContact O-CD2 3.09Å; D87-F90 PolarHBondContact O-N 2.94Å; G88-F90 VanDerWaalsContact C-N 3.35Å; F90-L103 HydrophobicContact CB-CD1 4.22Å; F90-L103 HydrophobicContact CD1-CD1 4.42Å; F90-H104 CarbonylContact C-O 3.45Å; F90-H104 WeakPolarHBondContact CA-O 3.49Å; F90-I105 HydrophobicContact CD1-CB 4.38Å; F90-I105 HydrophobicContact CD1-CD1 4.39Å; F90-I105 HydrophobicContact CD1-CG1 3.94Å; F90-I105 HydrophobicContact CD1-CG2 3.99Å; F90-I105 HydrophobicContact CE1-CB 4.43Å; F90-I105 HydrophobicContact CE1-CD1 4.12Å; F90-I105 HydrophobicContact CE1-CG1 4.09Å; F90-I105 HydrophobicContact CE1-CG2 3.68Å
91	T	98.9	Very high	97.8	Very high	17 Å²	17	80.7 Å²	80.7	10%	0.104	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127	175.1	-55.2	0	0	0	0	110.5	K84 K85 E86 F93 L103 H104	K84-T91 HydrophobicContact CG-CG2 4.04Å; K85-T91 CarbonylContact O-C 3.57Å; K85-T91 VanDerWaalsContact O-CA 3.32Å; K85-T91 WeakPolarHBondContact O-CA 3.33Å; E86-T91 HydrophobicContact CG-CG2 3.84Å; T91-F93 HydrophobicContact CG2-CD2 3.93Å; T91-F93 HydrophobicContact CG2-CE1 4.27Å; T91-F93 HydrophobicContact CG2-CE2 3.42Å; T91-F93 VanDerWaalsContact CG2-CE2 3.42Å; T91-F93 HydrophobicContact CG2-CZ 3.62Å; T91-L103 CarbonylContact O-C 3.44Å; T91-L103 WeakPolarHBondContact O-CA 3.4Å; T91-H104 PolarHBondContact N-O 2.85Å; T91-H104 PolarHBondContact O-N 3.07Å
92	I	98.8	Very high	98	Very high	0 Å²	0	75 Å²	75	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	129.3	164.3	-57.3	175.5	0	0	0	109.3	I76 I78 K84 K85 F101 S102	I76-I92 HydrophobicContact CB-CD1 4.27Å; I76-I92 HydrophobicContact CD1-CD1 4.49Å; I76-I92 HydrophobicContact CD1-CG1 4.24Å; I76-I92 HydrophobicContact CG1-CD1 3.93Å; I76-I92 HydrophobicContact CG1-CG1 4.19Å; I76-I92 HydrophobicContact CG2-CD1 3.82Å; I76-I92 HydrophobicContact CG2-CG1 3.76Å; I78-I92 HydrophobicContact CB-CB 4.41Å; I78-I92 HydrophobicContact CB-CD1 4.07Å; I78-I92 HydrophobicContact CB-CG2 4.19Å; I78-I92 HydrophobicContact CD1-CG2 4.43Å; I78-I92 HydrophobicContact CG2-CB 4.33Å; I78-I92 HydrophobicContact CG2-CD1 4.08Å; I78-I92 HydrophobicContact CG2-CG2 3.59Å; K84-I92 CarbonylContact C-O 3.59Å; K84-I92 VanDerWaalsContact CA-O 3.25Å; K84-I92 WeakPolarHBondContact CA-O 3.42Å; K85-I92 PolarHBondContact N-O 3.36Å; K85-I92 PolarHBondContact O-N 2.94Å; I92-F101 HydrophobicContact CG2-CB 4.28Å; I92-F101 HydrophobicContact CG2-CD2 4.36Å; I92-S102 CarbonylContact C-O 3.58Å; I92-S102 VanDerWaalsContact CA-O 3.22Å; I92-S102 WeakPolarHBondContact CA-O 3.49Å
93	F	98.8	Very high	98.1	Very high	83 Å²	83	72.1 Å²	72.1	36%	0.364	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133.4	162.1	-65.2	-86.4	0	0	0	109.5	K84 T91 F101 S102 H104	K84-F93 HydrophobicContact CD-CE1 3.99Å; K84-F93 HydrophobicContact CG-CD1 4.26Å; K84-F93 HydrophobicContact CG-CE1 4.08Å; T91-F93 HydrophobicContact CG2-CD2 3.93Å; T91-F93 HydrophobicContact CG2-CE1 4.27Å; T91-F93 HydrophobicContact CG2-CE2 3.42Å; T91-F93 VanDerWaalsContact CG2-CE2 3.42Å; T91-F93 HydrophobicContact CG2-CZ 3.62Å; F93-F101 CarbonylContact O-C 3.53Å; F93-F101 WeakPolarHBondContact O-CA 3.03Å; F93-F101 WeakPolarHBondContact O-CB 3.15Å; F93-S102 PolarHBondContact N-O 3.29Å; F93-S102 PolarHBondContact O-N 3.04Å; F93-H104 AromaticContact CD2-CD2 3.56Å; F93-H104 AromaticContact CD2-CE1 3.84Å; F93-H104 AromaticContact CD2-CG 3.83Å; F93-H104 AromaticContact CD2-ND1 3.99Å; F93-H104 AromaticContact CD2-NE2 3.57Å; F93-H104 HydrophobicContact CE2-CB 4.22Å; F93-H104 AromaticContact CE2-CD2 3.93Å; F93-H104 AromaticContact CE2-CE1 3.81Å; F93-H104 AromaticContact CE2-CG 3.69Å; F93-H104 AromaticContact CE2-ND1 3.62Å
94	F	98.7	Very high	98.2	Very high	16 Å²	16	68.6 Å²	68.6	7%	0.07	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.7	-176.3	-178.9	-95	0	0	0	111	Y53 F61 I78 P80 N83 K96 F101	Y53-F94 AromaticContact CE1-CE2 3.89Å; Y53-F94 HydrophobicContact CE1-CE2 3.89Å; Y53-F94 HydrophobicContact CE1-CZ 4.24Å; Y53-F94 WeakPolarHBondContact OH-CZ 3.43Å; F61-F94 AromaticContact CD1-CE2 3.98Å; F61-F94 HydrophobicContact CD1-CE2 3.98Å; F61-F94 HydrophobicContact CD2-CD2 4.06Å; F61-F94 AromaticContact CD2-CE2 3.49Å; F61-F94 HydrophobicContact CD2-CE2 3.49Å; F61-F94 VanDerWaalsContact CD2-CE2 3.49Å; F61-F94 HydrophobicContact CD2-CZ 4.11Å; F61-F94 AromaticContact CE1-CE2 3.9Å; F61-F94 HydrophobicContact CE1-CE2 3.9Å; F61-F94 HydrophobicContact CE2-CD2 4.39Å; F61-F94 AromaticContact CE2-CE2 3.41Å; F61-F94 HydrophobicContact CE2-CE2 3.41Å; F61-F94 VanDerWaalsContact CE2-CE2 3.41Å; F61-F94 AromaticContact CE2-CZ 3.63Å; F61-F94 HydrophobicContact CE2-CZ 3.63Å; F61-F94 HydrophobicContact CG-CD2 4.2Å; F61-F94 AromaticContact CG-CE2 3.78Å; F61-F94 HydrophobicContact CG-CE2 3.78Å; F61-F94 AromaticContact CZ-CE2 3.62Å; F61-F94 HydrophobicContact CZ-CE2 3.62Å; F61-F94 AromaticContact CZ-CZ 3.86Å; F61-F94 HydrophobicContact CZ-CZ 3.86Å; I78-F94 HydrophobicContact CD1-CB 3.95Å; I78-F94 HydrophobicContact CG2-CB 4.24Å; I78-F94 HydrophobicContact CG2-CD2 4.26Å; I78-F94 HydrophobicContact CG2-CG 4.49Å; P80-F94 HydrophobicContact CB-CD1 4.39Å; P80-F94 HydrophobicContact CB-CE1 3.5Å; P80-F94 VanDerWaalsContact CB-CE1 3.5Å; P80-F94 HydrophobicContact CB-CZ 3.73Å; N83-F94 PolarHBondContact O-N 2.8Å; F94-K96 HydrophobicContact CE1-CB 3.69Å; F94-K96 HydrophobicContact CE1-CG 4.25Å; F94-K96 HydrophobicContact CZ-CB 4.26Å; F94-F101 HydrophobicContact CB-CB 4.44Å; F94-F101 HydrophobicContact CD2-CB 3.77Å; F94-F101 HydrophobicContact CD2-CG 4.48Å
95	N	97.9	Very high	98.2	Very high	59 Å²	59	64.6 Å²	64.6	32%	0.316	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	97.7	177.4	-174.9	-24.1	0	0	0	109.8	R97 E98 K99 K100	N95-R97 VanDerWaalsContact C-N 3.29Å; N95-R97 PolarHBondContact O-N 2.72Å; N95-R97 WeakPolarHBondContact OD1-CB 2.95Å; N95-R97 PolarHBondContact OD1-N 3.29Å; N95-R97 VanDerWaalsContact OD1-N 3.07Å; N95-E98 HydrophobicContact CB-CB 4.35Å; N95-E98 VanDerWaalsContact ND2-CD 3.3Å; N95-E98 WeakPolarHBondContact ND2-CG 3.49Å; N95-E98 PolarHBondContact ND2-OE1 3.03Å; N95-E98 PolarHBondContact O-N 2.99Å; N95-E98 PolarHBondContact OD1-N 3.43Å; N95-K99 PolarHBondContact O-N 3.02Å; N95-K100 PolarHBondContact N-O 3.39Å; N95-K100 PolarHBondContact O-N 2.86Å
96	K	95.9	Very high	98.2	Very high	133 Å²	133	62.1 Å²	62.1	58%	0.578	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-37.6	178.7	-164.5	172.7	-178.3	171.4	0	112.9	F94 K99	F94-K96 HydrophobicContact CE1-CB 3.69Å; F94-K96 HydrophobicContact CE1-CG 4.25Å; F94-K96 HydrophobicContact CZ-CB 4.26Å; K96-K99 PolarHBondContact O-N 2.87Å
97	R	95.8	Very high	98.2	Very high	234 Å²	234	60.5 Å²	60.5	88%	0.883	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-42.7	-175.9	-178.6	-175.9	-70.4	-163	-1.1	110.8	N95 K99	N95-R97 VanDerWaalsContact C-N 3.29Å; N95-R97 PolarHBondContact O-N 2.72Å; N95-R97 WeakPolarHBondContact OD1-CB 2.95Å; N95-R97 PolarHBondContact OD1-N 3.29Å; N95-R97 VanDerWaalsContact OD1-N 3.07Å; R97-K99 VanDerWaalsContact C-N 3.28Å
98	E	97.4	Very high	98.2	Very high	106 Å²	106	56 Å²	56	50%	0.495	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-4.6	177.8	-68.8	-175.5	-143.4	0	0	113.5	N95 K100	N95-E98 HydrophobicContact CB-CB 4.35Å; N95-E98 VanDerWaalsContact ND2-CD 3.3Å; N95-E98 WeakPolarHBondContact ND2-CG 3.49Å; N95-E98 PolarHBondContact ND2-OE1 3.03Å; N95-E98 PolarHBondContact O-N 2.99Å; N95-E98 PolarHBondContact OD1-N 3.43Å; E98-K100 VanDerWaalsContact C-N 3.28Å; E98-K100 HydrophobicContact CB-CB 4.32Å; E98-K100 HydrophobicContact CB-CD 4.04Å; E98-K100 HydrophobicContact CB-CG 4.19Å; E98-K100 PolarHBondContact O-N 2.79Å; E98-K100 IonicContact OE2-NZ 3.68Å; E98-K100 PolarHBondContact OE2-NZ 3.03Å
99	K	97.4	Very high	98.2	Very high	69 Å²	69	56.5 Å²	56.5	30%	0.3	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	49.8	-170.4	-57	-176	173.4	-170.5	0	112.1	S52 Y53 E54 S56 N95 K96 R97	S52-K99 CarbonylContact C-O 3.57Å; S52-K99 VanDerWaalsContact CA-O 3.24Å; S52-K99 WeakPolarHBondContact CA-O 3.33Å; Y53-K99 VanDerWaalsContact CD1-C 3.46Å; Y53-K99 HydrophobicContact CD1-CB 4.12Å; Y53-K99 WeakPolarHBondContact CD1-O 3.4Å; Y53-K99 HydrophobicContact CD2-CB 4.28Å; Y53-K99 HydrophobicContact CE1-CB 3.87Å; Y53-K99 HydrophobicContact CE2-CB 4.04Å; Y53-K99 HydrophobicContact CE2-CG 4.18Å; Y53-K99 HydrophobicContact CG-CB 4.32Å; Y53-K99 PolarHBondContact N-O 2.9Å; Y53-K99 VanDerWaalsContact O-CB 3.24Å; Y53-K99 WeakPolarHBondContact O-CB 3.37Å; Y53-K99 WeakPolarHBondContact O-CD 3.33Å; E54-K99 PolarHBondContact O-NZ 3.34Å; S56-K99 WeakPolarHBondContact OG-CE 3.36Å; S56-K99 PolarHBondContact OG-NZ 2.83Å; N95-K99 PolarHBondContact O-N 3.02Å; K96-K99 PolarHBondContact O-N 2.87Å; R97-K99 VanDerWaalsContact C-N 3.28Å
100	K	98.1	Very high	98.2	Very high	95 Å²	95	58.5 Å²	58.5	41%	0.413	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	151.5	-177.8	-72.8	175.4	-165.1	161.9	0	111.9	C51 N95 E98	C51-K100 CarbonylContact O-C 3.56Å; C51-K100 VanDerWaalsContact O-CA 3.25Å; C51-K100 WeakPolarHBondContact O-CA 3.29Å; N95-K100 PolarHBondContact N-O 3.39Å; N95-K100 PolarHBondContact O-N 2.86Å; E98-K100 VanDerWaalsContact C-N 3.28Å; E98-K100 HydrophobicContact CB-CB 4.32Å; E98-K100 HydrophobicContact CB-CD 4.04Å; E98-K100 HydrophobicContact CB-CG 4.19Å; E98-K100 PolarHBondContact O-N 2.79Å; E98-K100 IonicContact OE2-NZ 3.68Å; E98-K100 PolarHBondContact OE2-NZ 3.03Å
101	F	98.6	Very high	98.1	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	144.3	165	64.3	-73.5	0	0	0	110.4	C51 Y53 F61 W63 I92 F93 F94 C118 A119	C51-F101 WeakPolarHBondContact CA-O 3.08Å; C51-F101 HydrophobicContact CB-CD1 4.01Å; C51-F101 HydrophobicContact CB-CD2 4.37Å; C51-F101 HydrophobicContact CB-CE1 3.65Å; C51-F101 HydrophobicContact CB-CE2 4.04Å; C51-F101 HydrophobicContact CB-CG 4.36Å; C51-F101 HydrophobicContact CB-CZ 3.67Å; C51-F101 WeakPolarHBondContact CB-O 3.31Å; C51-F101 PolarHBondContact N-O 2.92Å; C51-F101 PolarHBondContact O-N 2.72Å; C51-F101 VanDerWaalsContact O-O 3.05Å; C51-F101 WeakPolarHBondContact SG-CE1 3.36Å; C51-F101 WeakPolarHBondContact SG-CZ 3.07Å; Y53-F101 HydrophobicContact CD1-CD1 4.13Å; Y53-F101 HydrophobicContact CD1-CE1 4.28Å; F61-F101 HydrophobicContact CB-CD1 4.39Å; F61-F101 HydrophobicContact CB-CD2 4.1Å; F61-F101 HydrophobicContact CB-CE1 4.3Å; F61-F101 HydrophobicContact CB-CE2 4Å; F61-F101 HydrophobicContact CB-CG 4.31Å; F61-F101 HydrophobicContact CB-CZ 4.09Å; F61-F101 AromaticContact CD1-CD1 3.84Å; F61-F101 HydrophobicContact CD1-CD1 3.84Å; F61-F101 AromaticContact CD1-CE1 3.62Å; F61-F101 HydrophobicContact CD1-CE1 3.62Å; F61-F101 HydrophobicContact CD1-CZ 4.12Å; F61-F101 HydrophobicContact CE1-CE1 4.48Å; F61-F101 HydrophobicContact CG-CD1 4.42Å; F61-F101 HydrophobicContact CG-CE1 4.39Å; W63-F101 AromaticContact CD1-CD2 3.94Å; W63-F101 AromaticContact CD1-CE2 3.82Å; W63-F101 AromaticContact CE2-CE2 3.95Å; W63-F101 HydrophobicContact CZ2-CE2 4.48Å; W63-F101 AromaticContact NE1-CD2 3.29Å; W63-F101 VanDerWaalsContact NE1-CD2 3.29Å; W63-F101 AromaticContact NE1-CE2 3.37Å; I92-F101 HydrophobicContact CG2-CB 4.28Å; I92-F101 HydrophobicContact CG2-CD2 4.36Å; F93-F101 CarbonylContact O-C 3.53Å; F93-F101 WeakPolarHBondContact O-CA 3.03Å; F93-F101 WeakPolarHBondContact O-CB 3.15Å; F94-F101 HydrophobicContact CB-CB 4.44Å; F94-F101 HydrophobicContact CD2-CB 3.77Å; F94-F101 HydrophobicContact CD2-CG 4.48Å; F101-C118 HydrophobicContact CE2-CB 3.85Å; F101-C118 HydrophobicContact CZ-CB 3.64Å; F101-A119 WeakPolarHBondContact CZ-O 3.12Å
102	S	98.8	Very high	98.1	Very high	13 Å²	13	59.6 Å²	59.6	9%	0.091	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	148.2	-179.4	59.7	0	0	0	0	110.8	L49 I92 F93 H104	L49-S102 CarbonylContact O-C 3.44Å; L49-S102 WeakPolarHBondContact O-CA 3.24Å; L49-S102 VanDerWaalsContact O-CB 3.23Å; L49-S102 WeakPolarHBondContact O-CB 3.45Å; I92-S102 CarbonylContact C-O 3.58Å; I92-S102 VanDerWaalsContact CA-O 3.22Å; I92-S102 WeakPolarHBondContact CA-O 3.49Å; F93-S102 PolarHBondContact N-O 3.29Å; F93-S102 PolarHBondContact O-N 3.04Å; S102-H104 PolarHBondContact OG-CD2 3.06Å; S102-H104 VanDerWaalsContact OG-CD2 3.28Å; S102-H104 PolarHBondContact OG-NE2 3.1Å
103	L	98.9	Very high	98	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.1	166.2	175.6	66.2	0	0	0	108.4	I48 L49 W63 L75 I76 F90 T91 I105 Y116	I48-L103 WeakPolarHBondContact CA-O 3.47Å; L49-L103 HydrophobicContact CB-CB 4.42Å; L49-L103 HydrophobicContact CD1-CD2 4.33Å; L49-L103 PolarHBondContact N-O 2.76Å; L49-L103 PolarHBondContact O-N 2.78Å; W63-L103 HydrophobicContact CB-CD2 4.22Å; W63-L103 HydrophobicContact CD2-CB 3.65Å; W63-L103 HydrophobicContact CD2-CD2 4.01Å; W63-L103 HydrophobicContact CD2-CG 4.42Å; W63-L103 HydrophobicContact CE3-CB 4.22Å; W63-L103 HydrophobicContact CE3-CD2 4.06Å; W63-L103 HydrophobicContact CG-CB 3.91Å; W63-L103 HydrophobicContact CG-CD2 4.09Å; W63-L103 HydrophobicContact CG-CG 4.42Å; W63-L103 HydrophobicContact CH2-CB 4.49Å; W63-L103 HydrophobicContact CZ2-CB 3.96Å; L75-L103 HydrophobicContact CD2-CD1 4.34Å; L75-L103 HydrophobicContact CD2-CD2 3.65Å; I76-L103 HydrophobicContact CG2-CD1 3.82Å; F90-L103 HydrophobicContact CB-CD1 4.22Å; F90-L103 HydrophobicContact CD1-CD1 4.42Å; T91-L103 CarbonylContact O-C 3.44Å; T91-L103 WeakPolarHBondContact O-CA 3.4Å; L103-I105 HydrophobicContact CD2-CD1 4.26Å; L103-I105 HydrophobicContact CD2-CG1 4.26Å; L103-I105 HydrophobicContact CG-CG1 4.12Å; L103-Y116 HydrophobicContact CD2-CD1 3.88Å; L103-Y116 HydrophobicContact CD2-CE1 4.22Å
104	H	98.8	Very high	98	Very high	45 Å²	45	61.5 Å²	61.5	21%	0.208	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.6	172.7	-69.3	-140.3	0	0	0	107.9	T46 A47 F90 T91 F93 S102	T46-H104 HydrophobicContact CG2-CB 4.31Å; A47-H104 CarbonylContact O-C 3.54Å; A47-H104 WeakPolarHBondContact O-CA 3.3Å; F90-H104 CarbonylContact C-O 3.45Å; F90-H104 WeakPolarHBondContact CA-O 3.49Å; T91-H104 PolarHBondContact N-O 2.85Å; T91-H104 PolarHBondContact O-N 3.07Å; F93-H104 AromaticContact CD2-CD2 3.56Å; F93-H104 AromaticContact CD2-CE1 3.84Å; F93-H104 AromaticContact CD2-CG 3.83Å; F93-H104 AromaticContact CD2-ND1 3.99Å; F93-H104 AromaticContact CD2-NE2 3.57Å; F93-H104 HydrophobicContact CE2-CB 4.22Å; F93-H104 AromaticContact CE2-CD2 3.93Å; F93-H104 AromaticContact CE2-CE1 3.81Å; F93-H104 AromaticContact CE2-CG 3.69Å; F93-H104 AromaticContact CE2-ND1 3.62Å; S102-H104 PolarHBondContact OG-CD2 3.06Å; S102-H104 VanDerWaalsContact OG-CD2 3.28Å; S102-H104 PolarHBondContact OG-NE2 3.1Å
105	I	98.8	Very high	98	Very high	4 Å²	4	64.4 Å²	64.4	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	102.5	176	-45.4	-179.4	0	0	0	106.3	T46 A47 F90 L103 Y116	T46-I105 CarbonylContact C-O 3.59Å; T46-I105 VanDerWaalsContact CA-O 3.27Å; T46-I105 WeakPolarHBondContact CA-O 3.31Å; A47-I105 HydrophobicContact CB-CB 4.11Å; A47-I105 HydrophobicContact CB-CD1 4.45Å; A47-I105 HydrophobicContact CB-CG1 4.38Å; A47-I105 PolarHBondContact N-O 3.01Å; A47-I105 PolarHBondContact O-N 2.75Å; F90-I105 HydrophobicContact CD1-CB 4.38Å; F90-I105 HydrophobicContact CD1-CD1 4.39Å; F90-I105 HydrophobicContact CD1-CG1 3.94Å; F90-I105 HydrophobicContact CD1-CG2 3.99Å; F90-I105 HydrophobicContact CE1-CB 4.43Å; F90-I105 HydrophobicContact CE1-CD1 4.12Å; F90-I105 HydrophobicContact CE1-CG1 4.09Å; F90-I105 HydrophobicContact CE1-CG2 3.68Å; L103-I105 HydrophobicContact CD2-CD1 4.26Å; L103-I105 HydrophobicContact CD2-CG1 4.26Å; L103-I105 HydrophobicContact CG-CG1 4.12Å; I105-Y116 HydrophobicContact CD1-CE1 3.71Å; I105-Y116 HydrophobicContact CD1-CE2 4.37Å
106	A	98.7	Very high	98	Very high	41 Å²	41	63.1 Å²	63.1	34%	0.339	34%	0.335	S	S	.	.	S	Bend	trans	-75.5	155	177.3	0	0	0	0	0	110.6	R89 S108	R89-A106 WeakPolarHBondContact CB-O 3.33Å; R89-A106 WeakPolarHBondContact CD-O 3.23Å; R89-A106 PolarHBondContact NH1-O 3.16Å; R89-A106 PolarHBondContact O-N 3.35Å; A106-S108 PolarHBondContact O-N 3.08Å
107	D	98.4	Very high	98.1	Very high	85 Å²	85	60.3 Å²	60.3	46%	0.455	32%	0.323	S	S	.	.	S	Bend	trans	48.7	59.2	175.9	-178.7	50.5	0	0	0	111.2	R89 Q109	R89-D107 PolarHBondContact NH1-O 2.81Å; D107-Q109 WeakPolarHBondContact O-CG 3.19Å; D107-Q109 PolarHBondContact O-N 2.73Å; D107-Q109 PolarHBondContact OD2-NE2 2.87Å
108	S	98.4	Very high	98.2	Very high	4 Å²	4	49.5 Å²	49.5	3%	0.028	28%	0.283	C	S	.	.			trans	-58	136.9	-173.2	-61.3	0	0	0	0	111	E43 G44 E45 A106	E43-S108 CarbonylContact C-O 3.54Å; E43-S108 VanDerWaalsContact CA-O 3.27Å; E43-S108 WeakPolarHBondContact CA-O 3.49Å; E43-S108 WeakPolarHBondContact CG-O 3.34Å; G44-S108 PolarHBondContact N-O 3.21Å; E45-S108 VanDerWaalsContact O-CB 3.26Å; E45-S108 WeakPolarHBondContact O-CB 3.4Å; E45-S108 PolarHBondContact O-N 2.99Å; E45-S108 PolarHBondContact O-OG 3.23Å; A106-S108 PolarHBondContact O-N 3.08Å
109	Q	98.3	Very high	98.3	Very high	86 Å²	86	46.1 Å²	46.1	40%	0.402	27%	0.273	S	S	.	.			trans	-121.1	157.4	-177.2	-64.3	172.9	14.3	0	0	110.5	D107 G111 D112	D107-Q109 WeakPolarHBondContact O-CG 3.19Å; D107-Q109 PolarHBondContact O-N 2.73Å; D107-Q109 PolarHBondContact OD2-NE2 2.87Å; Q109-G111 PolarHBondContact O-N 3.09Å; Q109-G111 VanDerWaalsContact O-N 3.09Å; Q109-D112 PolarHBondContact N-OD2 3.24Å; Q109-D112 WeakPolarHBondContact O-CB 3.22Å; Q109-D112 PolarHBondContact O-N 2.91Å
110	P	97.6	Very high	98.3	Very high	97 Å²	97	43.6 Å²	43.6	63%	0.63	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-54.4	-31.4	175.1	-27.9	35.7	0	0	0	113.7	D112 S113	P110-D112 PolarHBondContact O-N 3.48Å; P110-S113 WeakPolarHBondContact O-CB 3.13Å; P110-S113 PolarHBondContact O-N 3.13Å
111	G	97.2	Very high	98.1	Very high	53 Å²	53	43.3 Å²	43.3	55%	0.546	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-69.1	-9.7	175.4	0	0	0	0	0	115.1	F67 Q109 S113	F67-G111 VanDerWaalsContact CE1-O 3.24Å; F67-G111 WeakPolarHBondContact CE1-O 3.22Å; Q109-G111 PolarHBondContact O-N 3.09Å; Q109-G111 VanDerWaalsContact O-N 3.09Å; G111-S113 VanDerWaalsContact C-N 3.28Å
112	D	97.9	Very high	98.1	Very high	25 Å²	25	45.3 Å²	45.3	13%	0.134	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-84.9	-2.5	175.8	-61.1	-34.3	0	0	0	112.4	R89 Q109 P110 A114 Y116	R89-D112 IonicContact CZ-OD1 3.73Å; R89-D112 IonicContact CZ-OD2 3.34Å; R89-D112 IonicContact NH1-OD1 3.79Å; R89-D112 IonicContact NH1-OD2 2.76Å; R89-D112 PolarHBondContact NH1-OD2 2.8Å; R89-D112 VanDerWaalsContact NH2-CG 3.29Å; R89-D112 IonicContact NH2-OD1 2.76Å; R89-D112 PolarHBondContact NH2-OD1 3.44Å; R89-D112 IonicContact NH2-OD2 3.02Å; R89-D112 PolarHBondContact NH2-OD2 3.03Å; Q109-D112 PolarHBondContact N-OD2 3.24Å; Q109-D112 WeakPolarHBondContact O-CB 3.22Å; Q109-D112 PolarHBondContact O-N 2.91Å; P110-D112 PolarHBondContact O-N 3.48Å; D112-A114 PolarHBondContact O-N 3.24Å; D112-Y116 WeakPolarHBondContact O-CE2 3.18Å; D112-Y116 PolarHBondContact O-OH 2.99Å
113	S	98.1	Very high	98	Very high	96 Å²	96	46.9 Å²	46.9	67%	0.671	30%	0.298	S	S	*	.			trans	-68.2	102.4	178.3	-164.2	0	0	0	0	110.9	P110 G111	P110-S113 WeakPolarHBondContact O-CB 3.13Å; P110-S113 PolarHBondContact O-N 3.13Å; G111-S113 VanDerWaalsContact C-N 3.28Å
114	A	98.1	Very high	98	Very high	27 Å²	27	49.6 Å²	49.6	22%	0.223	32%	0.315	C	S	.	.	S	Bend	trans	-155.9	169.9	-175.7	0	0	0	0	0	111.2	H65 Q66 F67 D112 Y116	H65-A114 HydrophobicContact CB-CB 4.41Å; Q66-A114 WeakPolarHBondContact O-CB 3.38Å; F67-A114 HydrophobicContact CD1-CB 3.76Å; F67-A114 HydrophobicContact CE1-CB 3.82Å; D112-A114 PolarHBondContact O-N 3.24Å; A114-Y116 HydrophobicContact CB-CD2 4.41Å; A114-Y116 HydrophobicContact CB-CE2 3.84Å; A114-Y116 WeakPolarHBondContact O-CD2 3.21Å
115	T	98.6	Very high	97.9	Very high	77 Å²	77	49.8 Å²	49.8	47%	0.472	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	133.6	163.9	-54.8	0	0	0	0	109.1	H65 Q66 F117	H65-T115 CarbonylContact C-O 3.59Å; H65-T115 WeakPolarHBondContact CA-O 3.41Å; Q66-T115 PolarHBondContact N-O 2.93Å; Q66-T115 PolarHBondContact O-N 2.94Å; T115-F117 HydrophobicContact CG2-CD2 4.41Å; T115-F117 HydrophobicContact CG2-CE1 3.84Å; T115-F117 HydrophobicContact CG2-CE2 3.62Å; T115-F117 HydrophobicContact CG2-CZ 3.3Å
116	Y	98.6	Very high	97.9	Very high	32 Å²	32	52.7 Å²	52.7	13%	0.125	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.8	-178.5	-68.5	-96.8	0	0	0	111.2	Q34 L49 Y64 H65 L75 L103 I105 D112 A114	Q34-Y116 PolarHBondContact NE2-O 2.72Å; L49-Y116 VanDerWaalsContact CD1-CB 3.44Å; L49-Y116 HydrophobicContact CD1-CD1 4.09Å; L49-Y116 HydrophobicContact CD1-CD2 3.88Å; L49-Y116 HydrophobicContact CD1-CG 3.54Å; Y64-Y116 WeakPolarHBondContact O-CA 3.25Å; H65-Y116 HydrophobicContact CB-CD1 4.03Å; H65-Y116 HydrophobicContact CB-CE1 3.88Å; L75-Y116 HydrophobicContact CD2-CD1 4.18Å; L75-Y116 HydrophobicContact CD2-CE1 3.87Å; L103-Y116 HydrophobicContact CD2-CD1 3.88Å; L103-Y116 HydrophobicContact CD2-CE1 4.22Å; I105-Y116 HydrophobicContact CD1-CE1 3.71Å; I105-Y116 HydrophobicContact CD1-CE2 4.37Å; D112-Y116 WeakPolarHBondContact O-CE2 3.18Å; D112-Y116 PolarHBondContact O-OH 2.99Å; A114-Y116 HydrophobicContact CB-CD2 4.41Å; A114-Y116 HydrophobicContact CB-CE2 3.84Å; A114-Y116 WeakPolarHBondContact O-CD2 3.21Å
117	F	98.3	Very high	97.8	Very high	73 Å²	73	53.5 Å²	53.5	32%	0.32	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.4	-178.7	-55.2	-84	0	0	0	110.4	W63 Y64 Q66 P72 T115	W63-F117 CarbonylContact C-O 3.52Å; W63-F117 WeakPolarHBondContact CA-O 3.24Å; Y64-F117 PolarHBondContact N-O 3.17Å; Y64-F117 PolarHBondContact O-N 2.72Å; Q66-F117 HydrophobicContact CB-CE2 3.8Å; Q66-F117 VanDerWaalsContact OE1-CE2 3.31Å; P72-F117 HydrophobicContact CG-CE2 4.35Å; T115-F117 HydrophobicContact CG2-CD2 4.41Å; T115-F117 HydrophobicContact CG2-CE1 3.84Å; T115-F117 HydrophobicContact CG2-CE2 3.62Å; T115-F117 HydrophobicContact CG2-CZ 3.3Å
118	C	98.3	Very high	97.8	Very high	8 Å²	8	51.2 Å²	51.2	5%	0.054	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	151.6	165.5	77.1	0	0	0	0	109.8	Q34 C51 W63 F101	Q34-C118 VanDerWaalsContact CD-N 3.29Å; Q34-C118 VanDerWaalsContact CD-SG 3.51Å; Q34-C118 HydrophobicContact CG-CB 4.14Å; Q34-C118 WeakPolarHBondContact CG-SG 3.46Å; C51-C118 HydrophobicContact CB-CB 3.46Å; C51-C118 VanDerWaalsContact CB-CB 3.46Å; C51-C118 WeakPolarHBondContact CB-SG 3.38Å; C51-C118 WeakPolarHBondContact SG-CB 3.49Å; C51-C118 CovalentContact SG-SG 2.03Å; C51-C118 PolarHBondContact SG-SG 2.81Å; W63-C118 HydrophobicContact CD2-CB 4.09Å; W63-C118 HydrophobicContact CE3-CB 4.08Å; W63-C118 HydrophobicContact CH2-CB 3.91Å; W63-C118 HydrophobicContact CZ2-CB 3.91Å; W63-C118 HydrophobicContact CZ3-CB 4Å; F101-C118 HydrophobicContact CE2-CB 3.85Å; F101-C118 HydrophobicContact CZ-CB 3.64Å
119	A	97.9	Very high	97.8	Very high	34 Å²	34	54.8 Å²	54.8	28%	0.281	36%	0.355	S	S	.	.			trans	-137.3	166	165.6	0	0	0	0	0	110.4	P62 Y64 F101	P62-A119 WeakPolarHBondContact CD-O 3.38Å; P62-A119 HydrophobicContact CG-CB 4.03Å; P62-A119 PolarHBondContact O-N 3.05Å; Y64-A119 HydrophobicContact CE2-CB 4.31Å; F101-A119 WeakPolarHBondContact CZ-O 3.12Å
120	A	97.3	Very high	97.7	Very high	17 Å²	17	52.3 Å²	52.3	14%	0.14	35%	0.351	C	S	.	.			trans	-142.9	135.7	172.4	0	0	0	0	0	108.5	V32 F58 Y60 F61	V32-A120 HydrophobicContact CG1-CB 3.67Å; F58-A120 HydrophobicContact CB-CB 4.16Å; F58-A120 HydrophobicContact CD2-CB 3.36Å; F58-A120 HydrophobicContact CE2-CB 3.91Å; F58-A120 HydrophobicContact CG-CB 3.98Å; Y60-A120 WeakPolarHBondContact O-CA 3.49Å; F61-A120 HydrophobicContact CD1-CB 3.71Å; F61-A120 HydrophobicContact CE1-CB 3.7Å
121	S	94.8	Very high	97.7	Very high	88 Å²	88	48.2 Å²	48.2	62%	0.615	33%	0.326	S	S	*	.			trans	-147.7	0	179.9	59.5	0	0	0	0	111.4	F58 D59 Y60	F58-S121 CarbonylContact C-O 3.58Å; F58-S121 WeakPolarHBondContact CA-O 3.46Å; F58-S121 VanDerWaalsContact CD1-C 3.45Å; F58-S121 WeakPolarHBondContact CD1-OXT 3.24Å; D59-S121 PolarHBondContact N-O 3.1Å; Y60-S121 PolarHBondContact N-O 2.79Å; Y60-S121 PolarHBondContact O-N 2.81Å; Y60-S121 VanDerWaalsContact O-N 3.08Å

Retrieved 121 of 121 residues in 205.6 ms (Link to these results)

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