A0A075B641_MOUSE Loading...

T cell receptor alpha variable 8-1

AlphaFold DB , UniProt , Accession A0A075B641, Species MOUSE (Mus musculus, Mouse), Gene Trav8-1, Length 109 aa.

						>A0A075B641_MOUSE|A0A075B641|Trav8-1
MHSLLGLLLWLQLTRVNSQLAEENSWALSVHEGESVTVNCSYKTSITALQWYRQKSGKGPAQLILIRSNEREKRNGRLRATLDTSSQSSSLSITATRCEDTAVYFCATD
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.7	Low	59.9	Low	222 Å²	222	139.4 Å²	139.4	100%	1.094	72%	0.721	S	S	*	*				0	-10.6	0	-72.2	168.6	62.5	0	0	114.6	S3	M1-S3 PolarHBondContact O-N 3.43Å
2	H	54.6	Low	59.7	Low	176 Å²	176	138.5 Å²	138.5	82%	0.815	71%	0.711	S	S	*	*	H	α-helix	trans	-75.6	-12.6	-179.3	-70.3	-83.3	0	0	0	116.1
3	S	65.2	Low	59.4	Low	101 Å²	101	141.4 Å²	141.4	71%	0.706	73%	0.727	S	S	*	*	H	α-helix	trans	-74.7	-33.7	-175.1	-162.6	0	0	0	0	113.4	M1 G6 L7	M1-S3 PolarHBondContact O-N 3.43Å; S3-G6 PolarHBondContact O-N 3.45Å; S3-L7 PolarHBondContact O-N 3.45Å
4	L	61.6	Low	59.7	Low	133 Å²	133	138.6 Å²	138.6	70%	0.696	72%	0.72	S	S	*	*	H	α-helix	trans	-73.5	-33.1	-179.6	-67.3	174.1	0	0	0	112.9	G6 L7 L8	L4-G6 PolarHBondContact O-N 3.48Å; L4-L7 PolarHBondContact O-N 3.39Å; L4-L8 PolarHBondContact O-N 3.38Å
5	L	62	Low	60.1	Low	120 Å²	120	143.6 Å²	143.6	63%	0.628	73%	0.726	S	S	*	*	H	α-helix	trans	-63.7	-33.6	176.1	-133.4	79.9	0	0	0	111.2
6	G	62.9	Low	60.4	Low	37 Å²	37	142.3 Å²	142.3	38%	0.381	73%	0.727	S	S	.	*	H	α-helix	trans	-65.3	-40	174.7	0	0	0	0	0	112.8	S3 L4 L8	S3-G6 PolarHBondContact O-N 3.45Å; L4-G6 PolarHBondContact O-N 3.48Å; G6-L8 PolarHBondContact O-N 3.22Å
7	L	60.3	Low	60.7	Low	125 Å²	125	140.9 Å²	140.9	65%	0.654	72%	0.722	S	S	*	*	H	α-helix	trans	-67.1	-34.4	179.8	-114.3	92.3	0	0	0	113.2	S3 L4 W10	S3-L7 PolarHBondContact O-N 3.45Å; L4-L7 PolarHBondContact O-N 3.39Å; L7-W10 PolarHBondContact O-N 3.45Å
8	L	61.8	Low	60.7	Low	133 Å²	133	138.2 Å²	138.2	70%	0.696	72%	0.717	S	S	*	*	H	α-helix	trans	-73	-28.4	-176.8	-68.8	170	0	0	0	113.2	L4 G6 W10	L4-L8 PolarHBondContact O-N 3.38Å; G6-L8 PolarHBondContact O-N 3.22Å; L8-W10 VanDerWaalsContact C-N 3.3Å; L8-W10 PolarHBondContact O-N 3.41Å
9	L	57.8	Low	60.3	Low	144 Å²	144	140.3 Å²	140.3	75%	0.754	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-15	177.3	-99.7	108.3	0	0	0	114.1
10	W	58.4	Low	60	Low	196 Å²	196	141.2 Å²	141.2	74%	0.742	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-0.7	-177.9	-70.3	64.1	0	0	0	113.6	L7 L8 Q12	L7-W10 PolarHBondContact O-N 3.45Å; L8-W10 VanDerWaalsContact C-N 3.3Å; L8-W10 PolarHBondContact O-N 3.41Å; W10-Q12 WeakPolarHBondContact O-CG 3.49Å; W10-Q12 PolarHBondContact O-N 2.81Å; W10-Q12 PolarHBondContact O-NE2 2.87Å
11	L	61.1	Low	59.5	Low	146 Å²	146	138.4 Å²	138.4	76%	0.764	73%	0.726	S	S	*	*	S	Bend	trans	-73.3	68.9	161.7	-96.5	88	0	0	0	109.6	L13	L11-L13 PolarHBondContact O-N 3.13Å; L11-L13 VanDerWaalsContact O-N 3.13Å
12	Q	58	Low	59.3	Low	129 Å²	129	136.8 Å²	136.8	60%	0.603	72%	0.716	S	S	*	*				27.3	83.7	128.5	-58.6	-47.2	-72.1	0	0	113.7	W10 T14	W10-Q12 WeakPolarHBondContact O-CG 3.49Å; W10-Q12 PolarHBondContact O-N 2.81Å; W10-Q12 PolarHBondContact O-NE2 2.87Å; Q12-T14 HydrophobicContact CB-CG2 4.08Å; Q12-T14 PolarHBondContact O-N 2.8Å
13	L	56.4	Low	59.1	Low	176 Å²	176	136.3 Å²	136.3	92%	0.921	71%	0.714	S	S	*	*			trans	-57.4	67	137.5	-74.2	142.8	0	0	0	108.4	L11 R15	L11-L13 PolarHBondContact O-N 3.13Å; L11-L13 VanDerWaalsContact O-N 3.13Å; L13-R15 PolarHBondContact O-N 2.86Å
14	T	63.7	Low	58.5	Low	102 Å²	102	137.4 Å²	137.4	63%	0.626	71%	0.712	S	S	*	*			trans	-70.9	85.7	159.3	39.6	0	0	0	0	105.5	Q12 V16	Q12-T14 HydrophobicContact CB-CG2 4.08Å; Q12-T14 PolarHBondContact O-N 2.8Å; T14-V16 VanDerWaalsContact C-N 3.3Å; T14-V16 PolarHBondContact O-N 2.91Å
15	R	65.2	Low	58.2	Low	214 Å²	214	135.7 Å²	135.7	81%	0.808	71%	0.712	S	S	*	*			trans	-56.2	100	168	-169.4	-175.5	-161.3	175.2	4.7	106.7	L13 N17	L13-R15 PolarHBondContact O-N 2.86Å; R15-N17 VanDerWaalsContact C-N 3.28Å; R15-N17 WeakPolarHBondContact CD-OD1 3.19Å; R15-N17 PolarHBondContact O-N 2.84Å
16	V	65.3	Low	58.5	Low	123 Å²	123	139.3 Å²	139.3	75%	0.745	72%	0.717	S	S	*	*			trans	-68.3	95	170	-179.8	0	0	0	0	105.9	T14 S18	T14-V16 VanDerWaalsContact C-N 3.3Å; T14-V16 PolarHBondContact O-N 2.91Å; V16-S18 PolarHBondContact O-N 3.04Å
17	N	64.4	Low	59.5	Low	118 Å²	118	142.5 Å²	142.5	63%	0.631	74%	0.74	S	S	*	*			trans	-74.8	86.4	163.5	-85.7	15.2	0	0	0	106.6	R15 Q19	R15-N17 VanDerWaalsContact C-N 3.28Å; R15-N17 WeakPolarHBondContact CD-OD1 3.19Å; R15-N17 PolarHBondContact O-N 2.84Å; N17-Q19 PolarHBondContact O-N 2.95Å
18	S	61.5	Low	60.8	Low	92 Å²	92	141.7 Å²	141.7	64%	0.643	74%	0.736	S	S	*	*			trans	-70.6	88	160.4	59.2	0	0	0	0	106.9	V16 L20	V16-S18 PolarHBondContact O-N 3.04Å; S18-L20 VanDerWaalsContact C-N 3.27Å; S18-L20 PolarHBondContact O-N 3.01Å
19	Q	52	Low	62.3	Low	178 Å²	178	141.4 Å²	141.4	83%	0.832	75%	0.745	S	S	*	*			trans	-63.1	104.2	154.3	-77	-178.6	-36.6	0	0	104.5	N17 A21	N17-Q19 PolarHBondContact O-N 2.95Å; Q19-A21 VanDerWaalsContact C-N 3.28Å; Q19-A21 PolarHBondContact O-N 2.87Å
20	L	55	Low	64	Low	159 Å²	159	137 Å²	137	83%	0.832	72%	0.724	S	S	*	*			trans	-55.3	106.1	164.1	-72.7	164.3	0	0	0	104.1	S18 E22	S18-L20 VanDerWaalsContact C-N 3.27Å; S18-L20 PolarHBondContact O-N 3.01Å; L20-E22 VanDerWaalsContact C-N 3.28Å; L20-E22 PolarHBondContact O-N 3.33Å
21	A	49.7	Very low	65.8	Low	82 Å²	82	134.1 Å²	134.1	68%	0.678	72%	0.718	S	S	*	*			trans	-56.7	105.9	170.3	0	0	0	0	0	104.7	Q19 E23	Q19-A21 VanDerWaalsContact C-N 3.28Å; Q19-A21 PolarHBondContact O-N 2.87Å; A21-E23 PolarHBondContact O-N 2.98Å
22	E	48.1	Very low	67.5	Low	188 Å²	188	132.3 Å²	132.3	88%	0.879	71%	0.706	S	S	*	*			trans	-72.7	61	175.4	-151.8	170.6	-154.1	0	0	106.3	L20 N24	L20-E22 VanDerWaalsContact C-N 3.28Å; L20-E22 PolarHBondContact O-N 3.33Å; E22-N24 PolarHBondContact O-N 2.84Å
23	E	50.9	Low	69.4	Low	167 Å²	167	128.6 Å²	128.6	78%	0.78	70%	0.702	S	S	*	*			trans	-76	76.4	178.8	-172	170.9	-168.5	0	0	106.7	A21 S25	A21-E23 PolarHBondContact O-N 2.98Å; E23-S25 PolarHBondContact O-N 3.04Å
24	N	52.2	Low	71.3	Confident	123 Å²	123	125 Å²	125	66%	0.658	68%	0.68	S	S	*	*	S	Bend	trans	40.3	33.9	166.3	-154.4	52	0	0	0	115.8	E22 W26	E22-N24 PolarHBondContact O-N 2.84Å; N24-W26 VanDerWaalsContact C-N 3.3Å; N24-W26 PolarHBondContact O-N 3.21Å; N24-W26 VanDerWaalsContact O-N 3.13Å; N24-W26 PolarHBondContact OD1-NE1 3.43Å
25	S	55.7	Low	72.9	Confident	98 Å²	98	123.9 Å²	123.9	69%	0.685	68%	0.677	S	S	*	*			trans	-86.7	80.3	173.4	44.8	0	0	0	0	107	E23 A27	E23-S25 PolarHBondContact O-N 3.04Å; S25-A27 PolarHBondContact O-N 3.32Å
26	W	68.7	Low	74.4	Confident	196 Å²	196	115 Å²	115	74%	0.742	65%	0.646	S	S	*	*			trans	-61.5	108	170.8	-66.8	95.1	0	0	0	108.1	N24 L28	N24-W26 VanDerWaalsContact C-N 3.3Å; N24-W26 PolarHBondContact O-N 3.21Å; N24-W26 VanDerWaalsContact O-N 3.13Å; N24-W26 PolarHBondContact OD1-NE1 3.43Å; W26-L28 PolarHBondContact O-N 2.95Å
27	A	83	Confident	76	Confident	104 Å²	104	112.1 Å²	112.1	86%	0.86	63%	0.629	S	S	*	*			trans	-66.2	105.1	169.6	0	0	0	0	0	107.8	S25	S25-A27 PolarHBondContact O-N 3.32Å
28	L	88.3	Confident	77.5	Confident	108 Å²	108	107.9 Å²	107.9	57%	0.565	61%	0.607	S	S	*	*			trans	-87.9	123.2	175.6	-64.1	172	0	0	0	108.9	W26 V36 V38	W26-L28 PolarHBondContact O-N 2.95Å; L28-V36 HydrophobicContact CB-CG2 4.35Å; L28-V36 HydrophobicContact CD1-CG2 3.87Å; L28-V38 HydrophobicContact CD1-CG2 4.39Å
29	S	92.5	Very high	79.2	Confident	127 Å²	127	109.4 Å²	109.4	89%	0.888	61%	0.608	S	S	*	*			trans	-110.3	131.8	169.2	-168.9	0	0	0	0	108.5
30	V	94	Very high	81.3	Confident	52 Å²	52	101.3 Å²	101.3	32%	0.315	57%	0.571	S	S	.	*			trans	-142.3	143.4	-172.9	62.3	0	0	0	0	108	E34 V36 T96	V30-E34 HydrophobicContact CG2-CB 3.5Å; V30-E34 HydrophobicContact CG2-CG 4.49Å; V30-E34 VanDerWaalsContact CG2-OE2 3.31Å; V30-E34 WeakPolarHBondContact CG2-OE2 3.49Å; V30-V36 HydrophobicContact CG1-CB 4.3Å; V30-V36 HydrophobicContact CG1-CG1 4.47Å; V30-V36 HydrophobicContact CG2-CB 4.39Å; V30-T96 HydrophobicContact CG1-CG2 4.07Å
31	H	95.9	Very high	83.3	Confident	134 Å²	134	98.5 Å²	98.5	62%	0.62	57%	0.565	S	S	*	*			trans	-71.3	155.2	177	-171.6	61.5	0	0	0	110.5	G33 E34 T96	H31-G33 PolarHBondContact O-N 3.25Å; H31-E34 HydrophobicContact CB-CG 4.04Å; H31-E34 PolarHBondContact N-OE2 2.83Å; H31-E34 WeakPolarHBondContact O-CB 3.31Å; H31-E34 PolarHBondContact O-N 3.37Å; H31-T96 PolarHBondContact O-OG1 2.98Å
32	E	96.6	Very high	85.5	Confident	109 Å²	109	95.8 Å²	95.8	51%	0.509	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	139	173.4	-167.1	166.3	-169.5	0	0	110.1	E34 T96	E32-E34 VanDerWaalsContact C-N 3.26Å; E32-E34 PolarHBondContact O-N 3.29Å; E32-T96 VanDerWaalsContact CG-O 3.24Å; E32-T96 WeakPolarHBondContact CG-O 3.24Å
33	G	97.7	Very high	87.7	Confident	50 Å²	50	96.2 Å²	96.2	52%	0.515	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	-14.5	-177.7	0	0	0	0	0	115.1	H31 A95 T96	H31-G33 PolarHBondContact O-N 3.25Å; G33-A95 WeakPolarHBondContact O-CA 3.48Å; G33-T96 PolarHBondContact N-O 2.75Å; G33-T96 PolarHBondContact N-OG1 3.01Å
34	E	97.8	Very high	89.8	Confident	102 Å²	102	92.2 Å²	92.2	48%	0.477	52%	0.523	S	S	.	.			trans	-74.2	178.8	172.8	-70.8	-179.6	167.1	0	0	111.6	V30 H31 E32 A95 T96	V30-E34 HydrophobicContact CG2-CB 3.5Å; V30-E34 HydrophobicContact CG2-CG 4.49Å; V30-E34 VanDerWaalsContact CG2-OE2 3.31Å; V30-E34 WeakPolarHBondContact CG2-OE2 3.49Å; H31-E34 HydrophobicContact CB-CG 4.04Å; H31-E34 PolarHBondContact N-OE2 2.83Å; H31-E34 WeakPolarHBondContact O-CB 3.31Å; H31-E34 PolarHBondContact O-N 3.37Å; E32-E34 VanDerWaalsContact C-N 3.26Å; E32-E34 PolarHBondContact O-N 3.29Å; E34-A95 PolarHBondContact O-N 2.85Å; E34-A95 VanDerWaalsContact O-N 3.15Å; E34-T96 PolarHBondContact N-OG1 3.39Å; E34-T96 WeakPolarHBondContact O-CG2 3.45Å; E34-T96 PolarHBondContact O-N 3.5Å; E34-T96 PolarHBondContact O-OG1 2.83Å; E34-T96 VanDerWaalsContact O-OG1 3.04Å
35	S	97	Very high	91.9	Very high	78 Å²	78	92.5 Å²	92.5	55%	0.545	54%	0.535	S	S	.	.			trans	-115.8	141.2	175	-59.5	0	0	0	0	110.3	I93	S35-I93 VanDerWaalsContact CA-O 3.27Å; S35-I93 WeakPolarHBondContact CA-O 3.1Å
36	V	96.7	Very high	93.8	Very high	26 Å²	26	88.7 Å²	88.7	16%	0.158	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145.6	177.2	64.7	0	0	0	0	110.1	L28 V30 S92 I93 T96	L28-V36 HydrophobicContact CB-CG2 4.35Å; L28-V36 HydrophobicContact CD1-CG2 3.87Å; V30-V36 HydrophobicContact CG1-CB 4.3Å; V30-V36 HydrophobicContact CG1-CG1 4.47Å; V30-V36 HydrophobicContact CG2-CB 4.39Å; V36-S92 CarbonylContact O-C 3.56Å; V36-S92 VanDerWaalsContact O-CA 3.28Å; V36-S92 WeakPolarHBondContact O-CA 3.31Å; V36-I93 HydrophobicContact CG1-CB 4.04Å; V36-I93 HydrophobicContact CG1-CD1 4.44Å; V36-I93 HydrophobicContact CG1-CG1 4.3Å; V36-I93 PolarHBondContact N-O 3.4Å; V36-I93 PolarHBondContact O-N 2.89Å; V36-T96 HydrophobicContact CB-CG2 4.44Å; V36-T96 HydrophobicContact CG1-CG2 3.75Å
37	T	97.2	Very high	95.2	Very high	64 Å²	64	83.8 Å²	83.8	39%	0.393	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.6	176.3	-59.5	0	0	0	0	110.1	L91 S92	T37-L91 CarbonylContact C-O 3.58Å; T37-L91 WeakPolarHBondContact CA-O 3.26Å; T37-S92 PolarHBondContact OG1-OG 2.99Å
38	V	96.6	Very high	95.9	Very high	29 Å²	29	79.3 Å²	79.3	18%	0.176	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.1	173.5	-175.7	0	0	0	0	108.2	L28 W51 S90 L91	L28-V38 HydrophobicContact CD1-CG2 4.39Å; V38-W51 HydrophobicContact CB-CH2 4.42Å; V38-W51 HydrophobicContact CB-CZ3 4.32Å; V38-W51 HydrophobicContact CG1-CH2 4.22Å; V38-W51 HydrophobicContact CG1-CZ3 4Å; V38-W51 WeakPolarHBondContact O-CH2 3.43Å; V38-S90 CarbonylContact O-C 3.53Å; V38-S90 VanDerWaalsContact O-CA 3.28Å; V38-S90 WeakPolarHBondContact O-CA 3.46Å; V38-L91 PolarHBondContact N-O 2.78Å; V38-L91 PolarHBondContact O-N 2.81Å
39	N	96.7	Very high	96.4	Very high	124 Å²	124	74.1 Å²	74.1	66%	0.663	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	149.2	-178.6	-63.8	-39.7	0	0	0	111.1	S90	N39-S90 WeakPolarHBondContact OD1-CB 3.06Å
40	C	96.8	Very high	96.7	Very high	8 Å²	8	69 Å²	69	5%	0.054	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	137.4	177.5	165	0	0	0	0	108.9	W51 S88 S89 C106	C40-W51 HydrophobicContact CB-CH2 3.57Å; C40-W51 HydrophobicContact CB-CZ2 3.72Å; C40-W51 HydrophobicContact CB-CZ3 4.46Å; C40-S88 CarbonylContact O-C 3.6Å; C40-S88 WeakPolarHBondContact O-CA 3.42Å; C40-S89 PolarHBondContact N-O 2.71Å; C40-S89 PolarHBondContact O-N 2.71Å; C40-S89 VanDerWaalsContact O-O 3.1Å; C40-C106 HydrophobicContact CB-CB 3.67Å; C40-C106 WeakPolarHBondContact CB-SG 3.24Å; C40-C106 WeakPolarHBondContact SG-CB 3.42Å; C40-C106 CovalentContact SG-SG 2Å; C40-C106 PolarHBondContact SG-SG 2.48Å
41	S	96.9	Very high	96.9	Very high	100 Å²	100	66.5 Å²	66.5	70%	0.699	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.2	147.3	171.9	-56.1	0	0	0	0	109.6	Q87	S41-Q87 WeakPolarHBondContact CA-O 3.45Å
42	Y	96.1	Very high	97	Very high	24 Å²	24	62.7 Å²	62.7	9%	0.094	36%	0.361	C	S	.	.			trans	-132.2	172.3	178.8	58.2	-89.5	0	0	0	109.9	T44 I46 L49 L82 T84 Q87 T108	Y42-T44 WeakPolarHBondContact CD2-O 3.27Å; Y42-T44 WeakPolarHBondContact CE2-O 3.3Å; Y42-I46 HydrophobicContact CD1-CD1 4.43Å; Y42-I46 HydrophobicContact CD2-CD1 4.39Å; Y42-I46 HydrophobicContact CD2-CG2 3.92Å; Y42-I46 HydrophobicContact CE1-CD1 3.87Å; Y42-I46 HydrophobicContact CE2-CD1 3.83Å; Y42-I46 HydrophobicContact CE2-CG1 3.88Å; Y42-I46 HydrophobicContact CE2-CG2 3.97Å; Y42-L49 HydrophobicContact CD1-CD1 3.87Å; Y42-L49 HydrophobicContact CE1-CD1 4.05Å; Y42-L82 HydrophobicContact CE1-CD1 3.8Å; Y42-T84 WeakPolarHBondContact OH-CA 3.27Å; Y42-Q87 VanDerWaalsContact CD1-O 3.26Å; Y42-Q87 WeakPolarHBondContact CD1-O 3.3Å; Y42-Q87 HydrophobicContact CD2-CB 3.87Å; Y42-Q87 HydrophobicContact CD2-CG 4.28Å; Y42-Q87 HydrophobicContact CE1-CB 4.37Å; Y42-Q87 WeakPolarHBondContact CE1-O 3.2Å; Y42-Q87 HydrophobicContact CE2-CB 3.7Å; Y42-Q87 HydrophobicContact CE2-CG 3.88Å; Y42-Q87 HydrophobicContact CG-CB 4.29Å; Y42-Q87 VanDerWaalsContact CZ-CA 3.46Å; Y42-Q87 PolarHBondContact N-O 2.89Å; Y42-Q87 VanDerWaalsContact O-CB 3.31Å; Y42-Q87 WeakPolarHBondContact O-CB 3.4Å; Y42-Q87 PolarHBondContact O-OE1 2.86Å; Y42-T108 HydrophobicContact CD2-CG2 4.48Å; Y42-T108 HydrophobicContact CG-CG2 4.08Å
43	K	95.1	Very high	97.1	Very high	198 Å²	198	60.6 Å²	60.6	86%	0.861	35%	0.349	S	S	*	.	S	Bend	trans	-122.5	-2.3	-170.3	-64.1	-175.9	-179	177	0	114.6	Q87	K43-Q87 PolarHBondContact O-OE1 2.71Å
44	T	93.6	Very high	97.1	Very high	83 Å²	83	61.5 Å²	61.5	51%	0.509	34%	0.34	S	S	.	.	S	Bend	trans	-124.8	159.9	-172.1	53	0	0	0	0	110.8	Y42	Y42-T44 WeakPolarHBondContact CD2-O 3.27Å; Y42-T44 WeakPolarHBondContact CE2-O 3.3Å
45	S	95.9	Very high	97	Very high	128 Å²	128	60.3 Å²	60.3	90%	0.895	33%	0.333	S	S	*	.			trans	-66.9	139	164.1	-59.5	0	0	0	0	109.4
46	I	97.2	Very high	96.9	Very high	18 Å²	18	62.5 Å²	62.5	9%	0.092	35%	0.348	C	S	.	.			trans	-131.6	155.4	-175	64.8	170.9	0	0	0	110.5	Y42 L49 S68 L82 T108	Y42-I46 HydrophobicContact CD1-CD1 4.43Å; Y42-I46 HydrophobicContact CD2-CD1 4.39Å; Y42-I46 HydrophobicContact CD2-CG2 3.92Å; Y42-I46 HydrophobicContact CE1-CD1 3.87Å; Y42-I46 HydrophobicContact CE2-CD1 3.83Å; Y42-I46 HydrophobicContact CE2-CG1 3.88Å; Y42-I46 HydrophobicContact CE2-CG2 3.97Å; I46-L49 HydrophobicContact CD1-CB 3.87Å; I46-L49 HydrophobicContact CD1-CD1 4.4Å; I46-S68 VanDerWaalsContact O-CB 3.31Å; I46-S68 WeakPolarHBondContact O-CB 3.42Å; I46-L82 HydrophobicContact CD1-CD1 4.14Å; I46-L82 HydrophobicContact CD1-CD2 4.33Å; I46-T108 HydrophobicContact CD1-CG2 4.48Å; I46-T108 HydrophobicContact CG2-CG2 3.54Å
47	T	98.1	Very high	96.8	Very high	94 Å²	94	65.1 Å²	65.1	58%	0.577	38%	0.381	S	S	*	.	S	Bend	trans	-97.2	-25.5	167.6	89.6	0	0	0	0	111.6	R67 S68 D109	T47-R67 CarbonylContact O-C 3.56Å; T47-R67 WeakPolarHBondContact O-CA 3.37Å; T47-S68 PolarHBondContact O-N 2.98Å; T47-S68 PolarHBondContact O-OG 3.06Å; T47-D109 VanDerWaalsContact CB-OD2 3.24Å; T47-D109 WeakPolarHBondContact CB-OD2 3.38Å; T47-D109 WeakPolarHBondContact CG2-OD2 3.44Å; T47-D109 PolarHBondContact N-OD1 3.04Å; T47-D109 PolarHBondContact N-OD2 3.31Å; T47-D109 PolarHBondContact OG1-OD2 3Å
48	A	98	Very high	96.8	Very high	9 Å²	9	68.9 Å²	68.9	7%	0.074	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	159.1	174.4	0	0	0	0	0	112.8	L65 I66 R67 D109	A48-L65 HydrophobicContact CB-CD1 3.76Å; A48-L65 HydrophobicContact CB-CG 4.3Å; A48-I66 CarbonylContact C-O 3.5Å; A48-I66 VanDerWaalsContact CA-O 3.32Å; A48-I66 WeakPolarHBondContact CA-O 3.38Å; A48-R67 HydrophobicContact CB-CG 4.45Å; A48-D109 PolarHBondContact N-OD1 3.36Å; A48-D109 PolarHBondContact O-N 2.85Å; A48-D109 VanDerWaalsContact O-OD1 3.09Å
49	L	98.4	Very high	96.8	Very high	0 Å²	0	70 Å²	70	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.3	170.9	-175.8	147.8	0	0	0	109.3	Y42 I46 W51 I66 L82 C106	Y42-L49 HydrophobicContact CD1-CD1 3.87Å; Y42-L49 HydrophobicContact CE1-CD1 4.05Å; I46-L49 HydrophobicContact CD1-CB 3.87Å; I46-L49 HydrophobicContact CD1-CD1 4.4Å; L49-W51 HydrophobicContact CD2-CD2 4.46Å; L49-W51 HydrophobicContact CD2-CG 4.27Å; L49-I66 HydrophobicContact CB-CG2 4.11Å; L49-I66 HydrophobicContact CD2-CG2 4.28Å; L49-I66 PolarHBondContact N-O 3.29Å; L49-I66 WeakPolarHBondContact O-CG2 3.42Å; L49-I66 PolarHBondContact O-N 2.87Å; L49-L82 HydrophobicContact CB-CD1 4.39Å; L49-L82 HydrophobicContact CD1-CD1 4.32Å; L49-C106 HydrophobicContact CD1-CB 4.3Å; L49-C106 HydrophobicContact CD2-CB 3.84Å; L49-C106 HydrophobicContact CG-CB 4.18Å
50	Q	98.3	Very high	96.9	Very high	18 Å²	18	67.7 Å²	67.7	8%	0.084	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.5	-179.9	180	65.2	64.2	0	0	110.4	Y52 Q62 I64 L65 C106 A107	Q50-Y52 HydrophobicContact CB-CD2 4.5Å; Q50-Y52 HydrophobicContact CB-CE2 3.73Å; Q50-Y52 HydrophobicContact CG-CD2 3.94Å; Q50-Y52 HydrophobicContact CG-CE1 4.08Å; Q50-Y52 HydrophobicContact CG-CE2 3.26Å; Q50-Y52 WeakPolarHBondContact CG-OH 3.25Å; Q50-Y52 WeakPolarHBondContact O-CD2 3.38Å; Q50-Q62 HydrophobicContact CG-CG 4.26Å; Q50-I64 VanDerWaalsContact NE2-C 3.27Å; Q50-I64 PolarHBondContact NE2-O 3.15Å; Q50-I64 VanDerWaalsContact NE2-O 3.15Å; Q50-L65 HydrophobicContact CB-CD1 4.01Å; Q50-L65 VanDerWaalsContact OE1-CB 3.29Å; Q50-C106 CarbonylContact O-C 3.49Å; Q50-C106 VanDerWaalsContact O-CA 3.26Å; Q50-C106 WeakPolarHBondContact O-CA 3.32Å; Q50-A107 PolarHBondContact N-O 2.65Å; Q50-A107 PolarHBondContact O-N 3.03Å
51	W	98.5	Very high	97	Very high	1 Å²	1	69.5 Å²	69.5	0%	0.004	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	138.8	169	-77.6	96.5	0	0	0	111.3	V38 C40 L49 L63 I64 S89 L91 C106	V38-W51 HydrophobicContact CB-CH2 4.42Å; V38-W51 HydrophobicContact CB-CZ3 4.32Å; V38-W51 HydrophobicContact CG1-CH2 4.22Å; V38-W51 HydrophobicContact CG1-CZ3 4Å; V38-W51 WeakPolarHBondContact O-CH2 3.43Å; C40-W51 HydrophobicContact CB-CH2 3.57Å; C40-W51 HydrophobicContact CB-CZ2 3.72Å; C40-W51 HydrophobicContact CB-CZ3 4.46Å; L49-W51 HydrophobicContact CD2-CD2 4.46Å; L49-W51 HydrophobicContact CD2-CG 4.27Å; W51-L63 HydrophobicContact CB-CB 4.28Å; W51-L63 PolarHBondContact O-N 2.94Å; W51-I64 PolarHBondContact N-O 3.11Å; W51-S89 PolarHBondContact NE1-OG 2.75Å; W51-L91 HydrophobicContact CB-CD2 4.36Å; W51-L91 HydrophobicContact CD2-CB 3.62Å; W51-L91 HydrophobicContact CD2-CD2 4.05Å; W51-L91 HydrophobicContact CD2-CG 4.29Å; W51-L91 HydrophobicContact CE3-CB 3.74Å; W51-L91 HydrophobicContact CE3-CD2 3.81Å; W51-L91 HydrophobicContact CE3-CG 4.38Å; W51-L91 HydrophobicContact CG-CB 4.24Å; W51-L91 HydrophobicContact CG-CD1 4.35Å; W51-L91 HydrophobicContact CG-CD2 4.3Å; W51-L91 HydrophobicContact CH2-CB 3.89Å; W51-L91 HydrophobicContact CZ2-CB 3.8Å; W51-L91 HydrophobicContact CZ3-CB 3.87Å; W51-L91 HydrophobicContact CZ3-CD2 4.44Å; W51-C106 HydrophobicContact CD2-CB 4.31Å; W51-C106 HydrophobicContact CE3-CB 4.26Å; W51-C106 HydrophobicContact CH2-CB 4.41Å; W51-C106 HydrophobicContact CZ2-CB 4.43Å; W51-C106 HydrophobicContact CZ3-CB 4.32Å
52	Y	98.2	Very high	97	Very high	53 Å²	53	71.3 Å²	71.3	21%	0.208	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	152.2	178.6	-66.4	-92.2	0	0	0	111.6	Q50 P60 A61 Q62 Y104 F105 A107	Q50-Y52 HydrophobicContact CB-CD2 4.5Å; Q50-Y52 HydrophobicContact CB-CE2 3.73Å; Q50-Y52 HydrophobicContact CG-CD2 3.94Å; Q50-Y52 HydrophobicContact CG-CE1 4.08Å; Q50-Y52 HydrophobicContact CG-CE2 3.26Å; Q50-Y52 WeakPolarHBondContact CG-OH 3.25Å; Q50-Y52 WeakPolarHBondContact O-CD2 3.38Å; Y52-P60 HydrophobicContact CD1-CB 3.98Å; Y52-A61 CarbonylContact C-O 3.56Å; Y52-A61 VanDerWaalsContact CA-O 3.29Å; Y52-A61 WeakPolarHBondContact CA-O 3.48Å; Y52-Q62 HydrophobicContact CD1-CG 4.13Å; Y52-Q62 HydrophobicContact CE1-CG 3.59Å; Y52-Y104 WeakPolarHBondContact O-CA 3.31Å; Y52-F105 HydrophobicContact CD2-CD2 4.17Å; Y52-F105 AromaticContact CD2-CE2 3.83Å; Y52-F105 HydrophobicContact CD2-CE2 3.83Å; Y52-F105 HydrophobicContact CG-CD2 4.43Å; Y52-F105 AromaticContact CG-CE2 3.86Å; Y52-F105 HydrophobicContact CG-CE2 3.86Å; Y52-F105 HydrophobicContact CG-CZ 4.09Å; Y52-F105 PolarHBondContact N-O 3.06Å; Y52-F105 PolarHBondContact O-N 2.88Å; Y52-A107 HydrophobicContact CE2-CB 3.9Å
53	R	97.5	Very high	97.1	Very high	65 Å²	65	71.5 Å²	71.5	25%	0.245	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.5	167.6	-172.8	174.1	60.9	-177.9	-3.9	109.7	A61 L63 A102 Y104	R53-A61 PolarHBondContact N-O 3.04Å; R53-A61 PolarHBondContact O-N 3.13Å; R53-L63 HydrophobicContact CB-CD1 3.82Å; R53-L63 HydrophobicContact CB-CD2 3.88Å; R53-L63 HydrophobicContact CB-CG 3.82Å; R53-A102 HydrophobicContact CG-CB 3.45Å; R53-A102 VanDerWaalsContact CG-CB 3.45Å; R53-Y104 HydrophobicContact CB-CD1 4.37Å; R53-Y104 HydrophobicContact CB-CE1 4.11Å; R53-Y104 WeakPolarHBondContact CD-OH 3.46Å; R53-Y104 HydrophobicContact CG-CD1 4.39Å; R53-Y104 HydrophobicContact CG-CE1 3.83Å
54	Q	97.7	Very high	97.2	Very high	70 Å²	70	62.3 Å²	62.3	33%	0.327	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	106.2	172.7	-171.9	173	21.4	0	0	110.4	K58 A102 V103 F105	Q54-K58 VanDerWaalsContact CG-O 3.25Å; Q54-K58 WeakPolarHBondContact CG-O 3.28Å; Q54-K58 PolarHBondContact NE2-O 2.86Å; Q54-A102 WeakPolarHBondContact O-CB 3.49Å; Q54-V103 HydrophobicContact CB-CB 4.39Å; Q54-V103 PolarHBondContact N-O 3.11Å; Q54-V103 PolarHBondContact O-N 2.83Å; Q54-F105 HydrophobicContact CB-CE1 4.16Å
55	K	96.6	Very high	97.4	Very high	77 Å²	77	61.4 Å²	61.4	34%	0.335	37%	0.368	S	S	.	.			trans	-74.2	152.7	171.3	-68.9	-170.3	173	-166.4	0	109.8	G57 K58 E99 A102	K55-G57 PolarHBondContact O-N 2.94Å; K55-K58 HydrophobicContact CB-CB 4.36Å; K55-K58 HydrophobicContact CB-CG 4.2Å; K55-K58 WeakPolarHBondContact O-CB 3.27Å; K55-K58 PolarHBondContact O-N 2.73Å; K55-E99 VanDerWaalsContact CE-O 3.3Å; K55-E99 WeakPolarHBondContact CE-O 3.48Å; K55-E99 PolarHBondContact NZ-O 3.02Å; K55-E99 VanDerWaalsContact NZ-O 3.11Å; K55-A102 HydrophobicContact CG-CB 4.25Å
56	S	94.2	Very high	97.6	Very high	123 Å²	123	55.3 Å²	55.3	86%	0.86	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	131.2	178.6	-172.6	0	0	0	0	111.6	K58	S56-K58 PolarHBondContact O-N 2.82Å
57	G	96.1	Very high	97.6	Very high	82 Å²	82	60.6 Å²	60.6	85%	0.845	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	10.6	-178.4	0	0	0	0	0	115.5	K55	K55-G57 PolarHBondContact O-N 2.94Å
58	K	97	Very high	97.6	Very high	143 Å²	143	58.3 Å²	58.3	62%	0.622	33%	0.332	S	S	*	.	S	Bend	trans	-117.3	160.6	177.3	-56.1	-60.9	179.4	-173.6	0	111.3	Q54 K55 S56	Q54-K58 VanDerWaalsContact CG-O 3.25Å; Q54-K58 WeakPolarHBondContact CG-O 3.28Å; Q54-K58 PolarHBondContact NE2-O 2.86Å; K55-K58 HydrophobicContact CB-CB 4.36Å; K55-K58 HydrophobicContact CB-CG 4.2Å; K55-K58 WeakPolarHBondContact O-CB 3.27Å; K55-K58 PolarHBondContact O-N 2.73Å; S56-K58 PolarHBondContact O-N 2.82Å
59	G	97	Very high	97.6	Very high	51 Å²	51	64 Å²	64	53%	0.526	36%	0.361	S	S	.	.			trans	-75.8	167.7	170.8	0	0	0	0	0	112.6
60	P	97.9	Very high	97.6	Very high	76 Å²	76	66.6 Å²	66.6	49%	0.494	37%	0.373	S	S	.	.			trans	-60.8	133	174.4	-24.7	36	0	0	0	112.7	Y52 F105	Y52-P60 HydrophobicContact CD1-CB 3.98Å; P60-F105 HydrophobicContact CB-CE1 4.38Å; P60-F105 HydrophobicContact CB-CZ 3.74Å; P60-F105 HydrophobicContact CG-CE1 4.43Å; P60-F105 HydrophobicContact CG-CZ 3.8Å
61	A	98.2	Very high	97.6	Very high	46 Å²	46	73.2 Å²	73.2	38%	0.38	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.8	172.9	0	0	0	0	0	110.5	Y52 R53	Y52-A61 CarbonylContact C-O 3.56Å; Y52-A61 VanDerWaalsContact CA-O 3.29Å; Y52-A61 WeakPolarHBondContact CA-O 3.48Å; R53-A61 PolarHBondContact N-O 3.04Å; R53-A61 PolarHBondContact O-N 3.13Å
62	Q	97.5	Very high	97.6	Very high	138 Å²	138	76.8 Å²	76.8	65%	0.645	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	136.5	177.2	-70.4	176.9	-32.9	0	0	111.2	Q50 Y52	Q50-Q62 HydrophobicContact CG-CG 4.26Å; Y52-Q62 HydrophobicContact CD1-CG 4.13Å; Y52-Q62 HydrophobicContact CE1-CG 3.59Å
63	L	97.5	Very high	97.6	Very high	28 Å²	28	77.7 Å²	77.7	15%	0.147	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-63.3	176.5	-70.6	175.6	0	0	0	112.3	W51 R53 L78 L91 Y104	W51-L63 HydrophobicContact CB-CB 4.28Å; W51-L63 PolarHBondContact O-N 2.94Å; R53-L63 HydrophobicContact CB-CD1 3.82Å; R53-L63 HydrophobicContact CB-CD2 3.88Å; R53-L63 HydrophobicContact CB-CG 3.82Å; L63-L78 HydrophobicContact CB-CD1 4.42Å; L63-L78 HydrophobicContact CD2-CD1 3.9Å; L63-L91 HydrophobicContact CD1-CD2 3.77Å; L63-Y104 HydrophobicContact CD1-CD1 3.72Å; L63-Y104 HydrophobicContact CD1-CE1 3.76Å
64	I	98.4	Very high	97.7	Very high	6 Å²	6	81.7 Å²	81.7	3%	0.031	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	123.3	-175.3	-62.9	-177.4	0	0	0	108.8	Q50 W51 K73 N75 L78 A80 L91	Q50-I64 VanDerWaalsContact NE2-C 3.27Å; Q50-I64 PolarHBondContact NE2-O 3.15Å; Q50-I64 VanDerWaalsContact NE2-O 3.15Å; W51-I64 PolarHBondContact N-O 3.11Å; I64-K73 HydrophobicContact CG2-CB 3.97Å; I64-K73 HydrophobicContact CG2-CD 3.79Å; I64-K73 HydrophobicContact CG2-CG 3.91Å; I64-N75 HydrophobicContact CD1-CB 4.16Å; I64-N75 HydrophobicContact CG1-CB 4.25Å; I64-L78 HydrophobicContact CD1-CB 3.76Å; I64-A80 HydrophobicContact CB-CB 4.28Å; I64-A80 HydrophobicContact CD1-CB 4.09Å; I64-A80 HydrophobicContact CG2-CB 3.79Å; I64-L91 HydrophobicContact CD1-CD1 4.23Å
65	L	98.4	Very high	97.6	Very high	63 Å²	63	83.2 Å²	83.2	33%	0.33	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	120.5	162.6	-174.6	69.1	0	0	0	108.7	A48 Q50 K73	A48-L65 HydrophobicContact CB-CD1 3.76Å; A48-L65 HydrophobicContact CB-CG 4.3Å; Q50-L65 HydrophobicContact CB-CD1 4.01Å; Q50-L65 VanDerWaalsContact OE1-CB 3.29Å; L65-K73 WeakPolarHBondContact O-CD 3.34Å; L65-K73 WeakPolarHBondContact O-CE 3.28Å; L65-K73 PolarHBondContact O-NZ 2.82Å
66	I	98.6	Very high	97.7	Very high	0 Å²	0	83 Å²	83	0%	0	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.9	174.4	-175	163.2	0	0	0	109.6	A48 L49 E70 K73 L82	A48-I66 CarbonylContact C-O 3.5Å; A48-I66 VanDerWaalsContact CA-O 3.32Å; A48-I66 WeakPolarHBondContact CA-O 3.38Å; L49-I66 HydrophobicContact CB-CG2 4.11Å; L49-I66 HydrophobicContact CD2-CG2 4.28Å; L49-I66 PolarHBondContact N-O 3.29Å; L49-I66 WeakPolarHBondContact O-CG2 3.42Å; L49-I66 PolarHBondContact O-N 2.87Å; I66-E70 WeakPolarHBondContact CA-OE2 3.3Å; I66-E70 HydrophobicContact CD1-CB 4.4Å; I66-E70 HydrophobicContact CG1-CB 3.83Å; I66-K73 HydrophobicContact CD1-CB 4.28Å; I66-K73 HydrophobicContact CG1-CB 4.46Å; I66-L82 HydrophobicContact CD1-CB 3.64Å; I66-L82 HydrophobicContact CG1-CB 3.94Å; I66-L82 HydrophobicContact CG1-CD2 4.37Å; I66-L82 HydrophobicContact CG2-CB 4.12Å; I66-L82 HydrophobicContact CG2-CD2 4.27Å
67	R	98.5	Very high	97.8	Very high	129 Å²	129	79.8 Å²	79.8	49%	0.487	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	155.8	-179.7	-67.5	-168.7	176.8	91.6	-1.1	111.3	T47 A48 N69 E70 L82	T47-R67 CarbonylContact O-C 3.56Å; T47-R67 WeakPolarHBondContact O-CA 3.37Å; A48-R67 HydrophobicContact CB-CG 4.45Å; R67-N69 WeakPolarHBondContact CB-OD1 3.29Å; R67-N69 PolarHBondContact O-N 3.03Å; R67-N69 VanDerWaalsContact O-N 3.11Å; R67-E70 HydrophobicContact CB-CG 4.19Å; R67-E70 PolarHBondContact N-OE2 2.81Å; R67-E70 WeakPolarHBondContact O-CA 3.39Å; R67-E70 WeakPolarHBondContact O-CB 3.48Å; R67-E70 PolarHBondContact O-N 3.14Å; R67-L82 WeakPolarHBondContact O-CD2 3.49Å
68	S	97.8	Very high	97.9	Very high	46 Å²	46	77.1 Å²	77.1	32%	0.322	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.6	-178	62.9	0	0	0	0	114.7	I46 T47	I46-S68 VanDerWaalsContact O-CB 3.31Å; I46-S68 WeakPolarHBondContact O-CB 3.42Å; T47-S68 PolarHBondContact O-N 2.98Å; T47-S68 PolarHBondContact O-OG 3.06Å
69	N	97.8	Very high	98	Very high	130 Å²	130	74.4 Å²	74.4	70%	0.695	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.9	172.8	68.2	-26	0	0	0	113.8	R67	R67-N69 WeakPolarHBondContact CB-OD1 3.29Å; R67-N69 PolarHBondContact O-N 3.03Å; R67-N69 VanDerWaalsContact O-N 3.11Å
70	E	98.4	Very high	98.1	Very high	54 Å²	54	72 Å²	72	25%	0.252	36%	0.361	S	S	.	.			trans	-97.5	132.4	175.7	-63.5	173.9	150.9	0	0	109.5	I66 R67	I66-E70 WeakPolarHBondContact CA-OE2 3.3Å; I66-E70 HydrophobicContact CD1-CB 4.4Å; I66-E70 HydrophobicContact CG1-CB 3.83Å; R67-E70 HydrophobicContact CB-CG 4.19Å; R67-E70 PolarHBondContact N-OE2 2.81Å; R67-E70 WeakPolarHBondContact O-CA 3.39Å; R67-E70 WeakPolarHBondContact O-CB 3.48Å; R67-E70 PolarHBondContact O-N 3.14Å
71	R	98.3	Very high	98.1	Very high	157 Å²	157	69.9 Å²	69.9	59%	0.592	35%	0.346	S	S	*	.	S	Bend	trans	-87.2	-30.5	174	-65.9	-59.4	-171.2	-170.1	1.5	112.9	T81 L82 D83	R71-T81 WeakPolarHBondContact O-CA 3.49Å; R71-L82 PolarHBondContact O-N 2.84Å; R71-D83 IonicContact NH1-OD1 3.88Å
72	E	98.5	Very high	98.2	Very high	76 Å²	76	67.9 Å²	67.9	36%	0.355	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	146.5	-176.6	177.3	172.8	132.9	0	0	110.6	R74 R79 A80	E72-R74 IonicContact OE1-CZ 3.78Å; E72-R74 VanDerWaalsContact OE1-CZ 3.23Å; E72-R74 IonicContact OE1-NE 3.14Å; E72-R74 PolarHBondContact OE1-NE 3.27Å; E72-R74 IonicContact OE1-NH2 3.81Å; E72-R74 PolarHBondContact OE1-NH2 2.86Å; E72-R74 IonicContact OE2-NH2 2.81Å; E72-R79 VanDerWaalsContact CD-NE 3.26Å; E72-R79 HydrophobicContact CG-CG 4.01Å; E72-R79 IonicContact OE1-NE 3.29Å; E72-R79 IonicContact OE2-CZ 3.88Å; E72-R79 IonicContact OE2-NE 3.9Å; E72-R79 PolarHBondContact OE2-NE 2.87Å; E72-R79 IonicContact OE2-NH2 3Å; E72-R79 PolarHBondContact OE2-NH2 2.79Å; E72-A80 CarbonylContact C-O 3.52Å; E72-A80 VanDerWaalsContact CA-O 3.27Å; E72-A80 WeakPolarHBondContact CA-O 3.26Å
73	K	98.5	Very high	98.2	Very high	71 Å²	71	64 Å²	64	31%	0.309	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	137.4	169.9	-170.7	163.8	179.9	170	0	110.9	I64 L65 I66 R79 A80	I64-K73 HydrophobicContact CG2-CB 3.97Å; I64-K73 HydrophobicContact CG2-CD 3.79Å; I64-K73 HydrophobicContact CG2-CG 3.91Å; L65-K73 WeakPolarHBondContact O-CD 3.34Å; L65-K73 WeakPolarHBondContact O-CE 3.28Å; L65-K73 PolarHBondContact O-NZ 2.82Å; I66-K73 HydrophobicContact CD1-CB 4.28Å; I66-K73 HydrophobicContact CG1-CB 4.46Å; K73-R79 WeakPolarHBondContact O-CA 2.97Å; K73-A80 PolarHBondContact N-O 2.99Å; K73-A80 PolarHBondContact O-N 2.91Å
74	R	98.2	Very high	98.2	Very high	149 Å²	149	65.1 Å²	65.1	56%	0.562	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.3	179.5	-69.7	-176.3	-175.9	-102.9	-1.6	111.9	E72 L78 R79	E72-R74 IonicContact OE1-CZ 3.78Å; E72-R74 VanDerWaalsContact OE1-CZ 3.23Å; E72-R74 IonicContact OE1-NE 3.14Å; E72-R74 PolarHBondContact OE1-NE 3.27Å; E72-R74 IonicContact OE1-NH2 3.81Å; E72-R74 PolarHBondContact OE1-NH2 2.86Å; E72-R74 IonicContact OE2-NH2 2.81Å; R74-L78 CarbonylContact C-O 3.59Å; R74-L78 VanDerWaalsContact CA-O 3.3Å; R74-L78 WeakPolarHBondContact CA-O 3.38Å; R74-R79 HydrophobicContact CG-CB 4.2Å; R74-R79 HydrophobicContact CG-CG 4.14Å; R74-R79 VanDerWaalsContact NH2-CD 3.34Å
75	N	97.2	Very high	98.1	Very high	103 Å²	103	69.4 Å²	69.4	55%	0.551	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.1	98.1	168.1	-174.9	-3.5	0	0	0	108.9	I64 R77 L78	I64-N75 HydrophobicContact CD1-CB 4.16Å; I64-N75 HydrophobicContact CG1-CB 4.25Å; N75-R77 PolarHBondContact O-N 3.37Å; N75-L78 PolarHBondContact N-O 2.73Å; N75-L78 WeakPolarHBondContact O-CB 3.44Å; N75-L78 PolarHBondContact O-N 3.42Å
76	G	97.1	Very high	98	Very high	73 Å²	73	69.4 Å²	69.4	75%	0.753	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	-119.9	-174.9	0	0	0	0	0	112	L78	G76-L78 PolarHBondContact O-N 2.95Å
77	R	97.6	Very high	98	Very high	55 Å²	55	72.9 Å²	72.9	21%	0.208	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-8.7	178.1	-63.7	-175.3	-60.1	105.6	-2.4	113.8	N75 I93 T94 A95 E99 D100	N75-R77 PolarHBondContact O-N 3.37Å; R77-I93 WeakPolarHBondContact O-CA 3.15Å; R77-T94 WeakPolarHBondContact CB-O 3.4Å; R77-T94 WeakPolarHBondContact CD-O 3.47Å; R77-T94 PolarHBondContact NH1-O 3.35Å; R77-T94 VanDerWaalsContact NH1-O 3.14Å; R77-T94 PolarHBondContact O-N 2.61Å; R77-T94 PolarHBondContact O-OG1 2.89Å; R77-A95 PolarHBondContact NH1-O 2.81Å; R77-E99 IonicContact NH2-OE1 2.71Å; R77-E99 PolarHBondContact NH2-OE1 3.31Å; R77-D100 IonicContact CZ-OD1 3.3Å; R77-D100 IonicContact CZ-OD2 2.71Å; R77-D100 VanDerWaalsContact CZ-OD2 3.3Å; R77-D100 IonicContact NH1-OD1 2.71Å; R77-D100 IonicContact NH1-OD2 3.58Å; R77-D100 PolarHBondContact NH1-OD2 3.38Å; R77-D100 VanDerWaalsContact NH2-CG 3.3Å; R77-D100 IonicContact NH2-OD1 2.99Å; R77-D100 PolarHBondContact NH2-OD1 3.21Å; R77-D100 IonicContact NH2-OD2 2.71Å; R77-D100 PolarHBondContact NH2-OD2 3.02Å
78	L	98.4	Very high	98	Very high	26 Å²	26	68.6 Å²	68.6	14%	0.136	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	136.3	-177.7	-56	175.9	0	0	0	111.1	L63 I64 R74 N75 G76 L91 S92 I93	L63-L78 HydrophobicContact CB-CD1 4.42Å; L63-L78 HydrophobicContact CD2-CD1 3.9Å; I64-L78 HydrophobicContact CD1-CB 3.76Å; R74-L78 CarbonylContact C-O 3.59Å; R74-L78 VanDerWaalsContact CA-O 3.3Å; R74-L78 WeakPolarHBondContact CA-O 3.38Å; N75-L78 PolarHBondContact N-O 2.73Å; N75-L78 WeakPolarHBondContact O-CB 3.44Å; N75-L78 PolarHBondContact O-N 3.42Å; G76-L78 PolarHBondContact O-N 2.95Å; L78-L91 HydrophobicContact CB-CD1 4.39Å; L78-S92 CarbonylContact C-O 3.58Å; L78-S92 WeakPolarHBondContact CA-O 3.31Å; L78-I93 HydrophobicContact CD2-CB 4.19Å; L78-I93 HydrophobicContact CD2-CD1 4.05Å; L78-I93 HydrophobicContact CD2-CG1 3.62Å; L78-I93 HydrophobicContact CD2-CG2 4Å
79	R	98.6	Very high	98	Very high	86 Å²	86	66.5 Å²	66.5	33%	0.325	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	113.6	173.4	178.1	-160.8	179	-143.4	-4.6	109.2	E72 K73 R74 S92	E72-R79 VanDerWaalsContact CD-NE 3.26Å; E72-R79 HydrophobicContact CG-CG 4.01Å; E72-R79 IonicContact OE1-NE 3.29Å; E72-R79 IonicContact OE2-CZ 3.88Å; E72-R79 IonicContact OE2-NE 3.9Å; E72-R79 PolarHBondContact OE2-NE 2.87Å; E72-R79 IonicContact OE2-NH2 3Å; E72-R79 PolarHBondContact OE2-NH2 2.79Å; K73-R79 WeakPolarHBondContact O-CA 2.97Å; R74-R79 HydrophobicContact CG-CB 4.2Å; R74-R79 HydrophobicContact CG-CG 4.14Å; R74-R79 VanDerWaalsContact NH2-CD 3.34Å; R79-S92 PolarHBondContact N-O 2.65Å; R79-S92 PolarHBondContact O-N 2.87Å
80	A	98.7	Very high	98	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.6	170.4	0	0	0	0	0	110.3	I64 E72 K73 S90 L91	I64-A80 HydrophobicContact CB-CB 4.28Å; I64-A80 HydrophobicContact CD1-CB 4.09Å; I64-A80 HydrophobicContact CG2-CB 3.79Å; E72-A80 CarbonylContact C-O 3.52Å; E72-A80 VanDerWaalsContact CA-O 3.27Å; E72-A80 WeakPolarHBondContact CA-O 3.26Å; K73-A80 PolarHBondContact N-O 2.99Å; K73-A80 PolarHBondContact O-N 2.91Å; A80-S90 CarbonylContact C-O 3.55Å; A80-S90 VanDerWaalsContact CA-O 3.23Å; A80-S90 WeakPolarHBondContact CA-O 3.04Å; A80-L91 HydrophobicContact CB-CD1 4.31Å
81	T	98.8	Very high	98	Very high	32 Å²	32	58.6 Å²	58.6	20%	0.196	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	151.8	168.7	64.7	0	0	0	0	110.2	R71 S89 S90	R71-T81 WeakPolarHBondContact O-CA 3.49Å; T81-S89 WeakPolarHBondContact O-CA 3.39Å; T81-S89 VanDerWaalsContact O-CB 3.3Å; T81-S89 WeakPolarHBondContact O-CB 3.15Å; T81-S89 PolarHBondContact O-OG 2.86Å; T81-S90 PolarHBondContact N-O 2.8Å; T81-S90 PolarHBondContact O-N 2.86Å; T81-S90 PolarHBondContact OG1-OG 2.83Å
82	L	98.7	Very high	98	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	122.4	175.8	-178.8	63.5	0	0	0	110.3	Y42 I46 L49 I66 R67 R71 T84	Y42-L82 HydrophobicContact CE1-CD1 3.8Å; I46-L82 HydrophobicContact CD1-CD1 4.14Å; I46-L82 HydrophobicContact CD1-CD2 4.33Å; L49-L82 HydrophobicContact CB-CD1 4.39Å; L49-L82 HydrophobicContact CD1-CD1 4.32Å; I66-L82 HydrophobicContact CD1-CB 3.64Å; I66-L82 HydrophobicContact CG1-CB 3.94Å; I66-L82 HydrophobicContact CG1-CD2 4.37Å; I66-L82 HydrophobicContact CG2-CB 4.12Å; I66-L82 HydrophobicContact CG2-CD2 4.27Å; R67-L82 WeakPolarHBondContact O-CD2 3.49Å; R71-L82 PolarHBondContact O-N 2.84Å; L82-T84 HydrophobicContact CD2-CG2 4.32Å; L82-T84 HydrophobicContact CG-CG2 4.26Å
83	D	98	Very high	98	Very high	55 Å²	55	48.1 Å²	48.1	29%	0.294	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	101.7	171.7	-179.3	9.2	0	0	0	110.1	R71 S85 S86 Q87 S88	R71-D83 IonicContact NH1-OD1 3.88Å; D83-S85 PolarHBondContact O-N 2.82Å; D83-S85 WeakPolarHBondContact OD1-CB 3.23Å; D83-S85 PolarHBondContact OD1-N 2.95Å; D83-S85 PolarHBondContact OD1-OG 2Å; D83-S85 PolarHBondContact OD2-OG 2.86Å; D83-S86 WeakPolarHBondContact CB-OG 3.33Å; D83-S86 WeakPolarHBondContact OD2-CB 3.41Å; D83-S86 PolarHBondContact OD2-OG 3.15Å; D83-Q87 WeakPolarHBondContact O-CA 3.32Å; D83-Q87 PolarHBondContact O-N 3.18Å; D83-S88 PolarHBondContact N-O 2.71Å; D83-S88 PolarHBondContact O-N 3Å
84	T	97.3	Very high	98	Very high	52 Å²	52	47.5 Å²	47.5	32%	0.319	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-20.2	178.3	52.1	0	0	0	0	114	Y42 L82	Y42-T84 WeakPolarHBondContact OH-CA 3.27Å; L82-T84 HydrophobicContact CD2-CG2 4.32Å; L82-T84 HydrophobicContact CG-CG2 4.26Å
85	S	96.3	Very high	98	Very high	97 Å²	97	42.7 Å²	42.7	68%	0.678	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-40.1	178.3	71.2	0	0	0	0	111.8	D83	D83-S85 PolarHBondContact O-N 2.82Å; D83-S85 WeakPolarHBondContact OD1-CB 3.23Å; D83-S85 PolarHBondContact OD1-N 2.95Å; D83-S85 PolarHBondContact OD1-OG 2Å; D83-S85 PolarHBondContact OD2-OG 2.86Å
86	S	97.3	Very high	98	Very high	62 Å²	62	38.1 Å²	38.1	43%	0.434	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-0.3	175.4	61.6	0	0	0	0	113.8	D83 S88	D83-S86 WeakPolarHBondContact CB-OG 3.33Å; D83-S86 WeakPolarHBondContact OD2-CB 3.41Å; D83-S86 PolarHBondContact OD2-OG 3.15Å; S86-S88 VanDerWaalsContact C-N 3.26Å; S86-S88 PolarHBondContact O-N 2.88Å; S86-S88 PolarHBondContact OG-OG 2.94Å
87	Q	97.7	Very high	98	Very high	74 Å²	74	40.7 Å²	40.7	35%	0.346	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	45.9	-175.8	-61.3	169.1	54.9	0	0	112.2	S41 Y42 K43 D83	S41-Q87 WeakPolarHBondContact CA-O 3.45Å; Y42-Q87 VanDerWaalsContact CD1-O 3.26Å; Y42-Q87 WeakPolarHBondContact CD1-O 3.3Å; Y42-Q87 HydrophobicContact CD2-CB 3.87Å; Y42-Q87 HydrophobicContact CD2-CG 4.28Å; Y42-Q87 HydrophobicContact CE1-CB 4.37Å; Y42-Q87 WeakPolarHBondContact CE1-O 3.2Å; Y42-Q87 HydrophobicContact CE2-CB 3.7Å; Y42-Q87 HydrophobicContact CE2-CG 3.88Å; Y42-Q87 HydrophobicContact CG-CB 4.29Å; Y42-Q87 VanDerWaalsContact CZ-CA 3.46Å; Y42-Q87 PolarHBondContact N-O 2.89Å; Y42-Q87 VanDerWaalsContact O-CB 3.31Å; Y42-Q87 WeakPolarHBondContact O-CB 3.4Å; Y42-Q87 PolarHBondContact O-OE1 2.86Å; K43-Q87 PolarHBondContact O-OE1 2.71Å; D83-Q87 WeakPolarHBondContact O-CA 3.32Å; D83-Q87 PolarHBondContact O-N 3.18Å
88	S	98	Very high	97.9	Very high	38 Å²	38	42.6 Å²	42.6	27%	0.266	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	150.1	-175	73.8	0	0	0	0	112.5	C40 D83 S86	C40-S88 CarbonylContact O-C 3.6Å; C40-S88 WeakPolarHBondContact O-CA 3.42Å; D83-S88 PolarHBondContact N-O 2.71Å; D83-S88 PolarHBondContact O-N 3Å; S86-S88 VanDerWaalsContact C-N 3.26Å; S86-S88 PolarHBondContact O-N 2.88Å; S86-S88 PolarHBondContact OG-OG 2.94Å
89	S	98.5	Very high	97.8	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	150.3	172.5	-177.4	0	0	0	0	109.3	C40 W51 T81	C40-S89 PolarHBondContact N-O 2.71Å; C40-S89 PolarHBondContact O-N 2.71Å; C40-S89 VanDerWaalsContact O-O 3.1Å; W51-S89 PolarHBondContact NE1-OG 2.75Å; T81-S89 WeakPolarHBondContact O-CA 3.39Å; T81-S89 VanDerWaalsContact O-CB 3.3Å; T81-S89 WeakPolarHBondContact O-CB 3.15Å; T81-S89 PolarHBondContact O-OG 2.86Å
90	S	98.3	Very high	97.7	Very high	17 Å²	17	42 Å²	42	12%	0.119	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147.6	171.6	77.9	0	0	0	0	110.5	V38 N39 A80 T81	V38-S90 CarbonylContact O-C 3.53Å; V38-S90 VanDerWaalsContact O-CA 3.28Å; V38-S90 WeakPolarHBondContact O-CA 3.46Å; N39-S90 WeakPolarHBondContact OD1-CB 3.06Å; A80-S90 CarbonylContact C-O 3.55Å; A80-S90 VanDerWaalsContact CA-O 3.23Å; A80-S90 WeakPolarHBondContact CA-O 3.04Å; T81-S90 PolarHBondContact N-O 2.8Å; T81-S90 PolarHBondContact O-N 2.86Å; T81-S90 PolarHBondContact OG1-OG 2.83Å
91	L	98.6	Very high	97.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.7	170.4	179.9	69.7	0	0	0	108.5	T37 V38 W51 L63 I64 L78 A80 Y104	T37-L91 CarbonylContact C-O 3.58Å; T37-L91 WeakPolarHBondContact CA-O 3.26Å; V38-L91 PolarHBondContact N-O 2.78Å; V38-L91 PolarHBondContact O-N 2.81Å; W51-L91 HydrophobicContact CB-CD2 4.36Å; W51-L91 HydrophobicContact CD2-CB 3.62Å; W51-L91 HydrophobicContact CD2-CD2 4.05Å; W51-L91 HydrophobicContact CD2-CG 4.29Å; W51-L91 HydrophobicContact CE3-CB 3.74Å; W51-L91 HydrophobicContact CE3-CD2 3.81Å; W51-L91 HydrophobicContact CE3-CG 4.38Å; W51-L91 HydrophobicContact CG-CB 4.24Å; W51-L91 HydrophobicContact CG-CD1 4.35Å; W51-L91 HydrophobicContact CG-CD2 4.3Å; W51-L91 HydrophobicContact CH2-CB 3.89Å; W51-L91 HydrophobicContact CZ2-CB 3.8Å; W51-L91 HydrophobicContact CZ3-CB 3.87Å; W51-L91 HydrophobicContact CZ3-CD2 4.44Å; L63-L91 HydrophobicContact CD1-CD2 3.77Å; I64-L91 HydrophobicContact CD1-CD1 4.23Å; L78-L91 HydrophobicContact CB-CD1 4.39Å; A80-L91 HydrophobicContact CB-CD1 4.31Å; L91-Y104 HydrophobicContact CD2-CD1 3.7Å; L91-Y104 HydrophobicContact CD2-CE1 4.32Å
92	S	98.3	Very high	97.5	Very high	13 Å²	13	47.4 Å²	47.4	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	137.1	174.2	-56	0	0	0	0	110.8	V36 T37 L78 R79	V36-S92 CarbonylContact O-C 3.56Å; V36-S92 VanDerWaalsContact O-CA 3.28Å; V36-S92 WeakPolarHBondContact O-CA 3.31Å; T37-S92 PolarHBondContact OG1-OG 2.99Å; L78-S92 CarbonylContact C-O 3.58Å; L78-S92 WeakPolarHBondContact CA-O 3.31Å; R79-S92 PolarHBondContact N-O 2.65Å; R79-S92 PolarHBondContact O-N 2.87Å
93	I	98.3	Very high	97.4	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.6	173.9	-45.1	-175.2	0	0	0	106.8	S35 V36 R77 L78 T96 Y104	S35-I93 VanDerWaalsContact CA-O 3.27Å; S35-I93 WeakPolarHBondContact CA-O 3.1Å; V36-I93 HydrophobicContact CG1-CB 4.04Å; V36-I93 HydrophobicContact CG1-CD1 4.44Å; V36-I93 HydrophobicContact CG1-CG1 4.3Å; V36-I93 PolarHBondContact N-O 3.4Å; V36-I93 PolarHBondContact O-N 2.89Å; R77-I93 WeakPolarHBondContact O-CA 3.15Å; L78-I93 HydrophobicContact CD2-CB 4.19Å; L78-I93 HydrophobicContact CD2-CD1 4.05Å; L78-I93 HydrophobicContact CD2-CG1 3.62Å; L78-I93 HydrophobicContact CD2-CG2 4Å; I93-T96 HydrophobicContact CB-CG2 4.42Å; I93-T96 HydrophobicContact CG2-CG2 4.3Å; I93-Y104 HydrophobicContact CD1-CD1 4.35Å; I93-Y104 HydrophobicContact CD1-CE1 3.63Å; I93-Y104 HydrophobicContact CD1-CE2 4.06Å; I93-Y104 VanDerWaalsContact CD1-CZ 3.47Å
94	T	98	Very high	97.4	Very high	58 Å²	58	50.5 Å²	50.5	36%	0.356	30%	0.3	S	S	.	.	S	Bend	trans	-93.4	155.1	175.6	61.7	0	0	0	0	111.2	R77 T96	R77-T94 WeakPolarHBondContact CB-O 3.4Å; R77-T94 WeakPolarHBondContact CD-O 3.47Å; R77-T94 PolarHBondContact NH1-O 3.35Å; R77-T94 VanDerWaalsContact NH1-O 3.14Å; R77-T94 PolarHBondContact O-N 2.61Å; R77-T94 PolarHBondContact O-OG1 2.89Å; T94-T96 VanDerWaalsContact C-N 3.3Å; T94-T96 PolarHBondContact O-N 2.84Å
95	A	97.6	Very high	97.3	Very high	47 Å²	47	51.3 Å²	51.3	39%	0.388	30%	0.299	S	S	.	.	S	Bend	trans	46.1	57.3	-179.8	0	0	0	0	0	111	G33 E34 R77	G33-A95 WeakPolarHBondContact O-CA 3.48Å; E34-A95 PolarHBondContact O-N 2.85Å; E34-A95 VanDerWaalsContact O-N 3.15Å; R77-A95 PolarHBondContact NH1-O 2.81Å
96	T	97.8	Very high	97.4	Very high	8 Å²	8	48.5 Å²	48.5	5%	0.049	28%	0.279	C	S	.	.			trans	-51.9	146.6	-178	46.2	0	0	0	0	110.8	V30 H31 E32 G33 E34 V36 I93 T94	V30-T96 HydrophobicContact CG1-CG2 4.07Å; H31-T96 PolarHBondContact O-OG1 2.98Å; E32-T96 VanDerWaalsContact CG-O 3.24Å; E32-T96 WeakPolarHBondContact CG-O 3.24Å; G33-T96 PolarHBondContact N-O 2.75Å; G33-T96 PolarHBondContact N-OG1 3.01Å; E34-T96 PolarHBondContact N-OG1 3.39Å; E34-T96 WeakPolarHBondContact O-CG2 3.45Å; E34-T96 PolarHBondContact O-N 3.5Å; E34-T96 PolarHBondContact O-OG1 2.83Å; E34-T96 VanDerWaalsContact O-OG1 3.04Å; V36-T96 HydrophobicContact CB-CG2 4.44Å; V36-T96 HydrophobicContact CG1-CG2 3.75Å; I93-T96 HydrophobicContact CB-CG2 4.42Å; I93-T96 HydrophobicContact CG2-CG2 4.3Å; T94-T96 VanDerWaalsContact C-N 3.3Å; T94-T96 PolarHBondContact O-N 2.84Å
97	R	97.8	Very high	97.4	Very high	127 Å²	127	47.4 Å²	47.4	48%	0.479	27%	0.273	S	S	.	.			trans	-127.1	158.1	177.3	-66.9	169.3	-179.6	177.7	-3.9	109.8	E99 D100	R97-E99 HydrophobicContact CB-CG 3.5Å; R97-E99 VanDerWaalsContact CB-CG 3.5Å; R97-E99 WeakPolarHBondContact CD-OE1 3.45Å; R97-E99 HydrophobicContact CG-CG 4.45Å; R97-E99 IonicContact CZ-OE1 3.23Å; R97-E99 IonicContact NE-OE1 2.94Å; R97-E99 IonicContact NH1-OE1 3.94Å; R97-E99 PolarHBondContact NH1-OE1 2.63Å; R97-E99 PolarHBondContact O-N 3.31Å; R97-D100 PolarHBondContact N-OD2 3Å; R97-D100 VanDerWaalsContact O-CB 3.31Å; R97-D100 WeakPolarHBondContact O-CB 3.38Å; R97-D100 PolarHBondContact O-N 3.28Å
98	C	95.8	Very high	97.4	Very high	95 Å²	95	46.6 Å²	46.6	64%	0.642	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-54	-28.6	173	-67.5	0	0	0	0	112.9	D100 T101	C98-D100 PolarHBondContact O-N 3.19Å; C98-T101 PolarHBondContact O-N 2.76Å; C98-T101 PolarHBondContact O-OG1 2.84Å
99	E	95.9	Very high	96.9	Very high	86 Å²	86	51 Å²	51	40%	0.402	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-68.8	-15.8	176.2	57	143.5	168.6	0	0	115.1	K55 R77 R97 T101	K55-E99 VanDerWaalsContact CE-O 3.3Å; K55-E99 WeakPolarHBondContact CE-O 3.48Å; K55-E99 PolarHBondContact NZ-O 3.02Å; K55-E99 VanDerWaalsContact NZ-O 3.11Å; R77-E99 IonicContact NH2-OE1 2.71Å; R77-E99 PolarHBondContact NH2-OE1 3.31Å; R97-E99 HydrophobicContact CB-CG 3.5Å; R97-E99 VanDerWaalsContact CB-CG 3.5Å; R97-E99 WeakPolarHBondContact CD-OE1 3.45Å; R97-E99 HydrophobicContact CG-CG 4.45Å; R97-E99 IonicContact CZ-OE1 3.23Å; R97-E99 IonicContact NE-OE1 2.94Å; R97-E99 IonicContact NH1-OE1 3.94Å; R97-E99 PolarHBondContact NH1-OE1 2.63Å; R97-E99 PolarHBondContact O-N 3.31Å; E99-T101 VanDerWaalsContact C-N 3.33Å
100	D	96.9	Very high	96.8	Very high	13 Å²	13	53.5 Å²	53.5	7%	0.07	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-83.6	-8.3	-179.7	-63.3	-37.3	0	0	0	112.4	R77 R97 C98 A102 Y104	R77-D100 IonicContact CZ-OD1 3.3Å; R77-D100 IonicContact CZ-OD2 2.71Å; R77-D100 VanDerWaalsContact CZ-OD2 3.3Å; R77-D100 IonicContact NH1-OD1 2.71Å; R77-D100 IonicContact NH1-OD2 3.58Å; R77-D100 PolarHBondContact NH1-OD2 3.38Å; R77-D100 VanDerWaalsContact NH2-CG 3.3Å; R77-D100 IonicContact NH2-OD1 2.99Å; R77-D100 PolarHBondContact NH2-OD1 3.21Å; R77-D100 IonicContact NH2-OD2 2.71Å; R77-D100 PolarHBondContact NH2-OD2 3.02Å; R97-D100 PolarHBondContact N-OD2 3Å; R97-D100 VanDerWaalsContact O-CB 3.31Å; R97-D100 WeakPolarHBondContact O-CB 3.38Å; R97-D100 PolarHBondContact O-N 3.28Å; C98-D100 PolarHBondContact O-N 3.19Å; D100-A102 PolarHBondContact O-N 2.91Å; D100-Y104 VanDerWaalsContact O-CE2 3.27Å; D100-Y104 WeakPolarHBondContact O-CE2 3.4Å; D100-Y104 PolarHBondContact O-OH 3.4Å
101	T	96.2	Very high	96.8	Very high	116 Å²	116	55.4 Å²	55.4	71%	0.712	32%	0.318	S	S	*	.			trans	-60.8	109.7	176.1	-57.1	0	0	0	0	110.7	C98 E99	C98-T101 PolarHBondContact O-N 2.76Å; C98-T101 PolarHBondContact O-OG1 2.84Å; E99-T101 VanDerWaalsContact C-N 3.33Å
102	A	96.7	Very high	96.7	Very high	29 Å²	29	58.4 Å²	58.4	24%	0.24	34%	0.336	C	S	.	.	S	Bend	trans	-166.9	168.6	-176.1	0	0	0	0	0	110.3	R53 Q54 K55 D100 Y104	R53-A102 HydrophobicContact CG-CB 3.45Å; R53-A102 VanDerWaalsContact CG-CB 3.45Å; Q54-A102 WeakPolarHBondContact O-CB 3.49Å; K55-A102 HydrophobicContact CG-CB 4.25Å; D100-A102 PolarHBondContact O-N 2.91Å; A102-Y104 HydrophobicContact CB-CD2 4.44Å; A102-Y104 HydrophobicContact CB-CE2 3.84Å; A102-Y104 WeakPolarHBondContact O-CD2 3.17Å
103	V	96.5	Very high	96.6	Very high	91 Å²	91	61.1 Å²	61.1	55%	0.552	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	133.4	163.4	-178.5	0	0	0	0	108.4	Q54 F105	Q54-V103 HydrophobicContact CB-CB 4.39Å; Q54-V103 PolarHBondContact N-O 3.11Å; Q54-V103 PolarHBondContact O-N 2.83Å; V103-F105 HydrophobicContact CG1-CD1 4.25Å
104	Y	97.2	Very high	96.5	Very high	33 Å²	33	64.9 Å²	64.9	13%	0.129	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131	176.1	-66.8	-94.6	0	0	0	109.2	Y52 R53 L63 L91 I93 D100 A102	Y52-Y104 WeakPolarHBondContact O-CA 3.31Å; R53-Y104 HydrophobicContact CB-CD1 4.37Å; R53-Y104 HydrophobicContact CB-CE1 4.11Å; R53-Y104 WeakPolarHBondContact CD-OH 3.46Å; R53-Y104 HydrophobicContact CG-CD1 4.39Å; R53-Y104 HydrophobicContact CG-CE1 3.83Å; L63-Y104 HydrophobicContact CD1-CD1 3.72Å; L63-Y104 HydrophobicContact CD1-CE1 3.76Å; L91-Y104 HydrophobicContact CD2-CD1 3.7Å; L91-Y104 HydrophobicContact CD2-CE1 4.32Å; I93-Y104 HydrophobicContact CD1-CD1 4.35Å; I93-Y104 HydrophobicContact CD1-CE1 3.63Å; I93-Y104 HydrophobicContact CD1-CE2 4.06Å; I93-Y104 VanDerWaalsContact CD1-CZ 3.47Å; D100-Y104 VanDerWaalsContact O-CE2 3.27Å; D100-Y104 WeakPolarHBondContact O-CE2 3.4Å; D100-Y104 PolarHBondContact O-OH 3.4Å; A102-Y104 HydrophobicContact CB-CD2 4.44Å; A102-Y104 HydrophobicContact CB-CE2 3.84Å; A102-Y104 WeakPolarHBondContact O-CD2 3.17Å
105	F	96.5	Very high	96.4	Very high	70 Å²	70	65.3 Å²	65.3	31%	0.307	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	163.9	179.4	62.6	-88.4	0	0	0	110.9	Y52 Q54 P60 V103	Y52-F105 HydrophobicContact CD2-CD2 4.17Å; Y52-F105 AromaticContact CD2-CE2 3.83Å; Y52-F105 HydrophobicContact CD2-CE2 3.83Å; Y52-F105 HydrophobicContact CG-CD2 4.43Å; Y52-F105 AromaticContact CG-CE2 3.86Å; Y52-F105 HydrophobicContact CG-CE2 3.86Å; Y52-F105 HydrophobicContact CG-CZ 4.09Å; Y52-F105 PolarHBondContact N-O 3.06Å; Y52-F105 PolarHBondContact O-N 2.88Å; Q54-F105 HydrophobicContact CB-CE1 4.16Å; P60-F105 HydrophobicContact CB-CE1 4.38Å; P60-F105 HydrophobicContact CB-CZ 3.74Å; P60-F105 HydrophobicContact CG-CE1 4.43Å; P60-F105 HydrophobicContact CG-CZ 3.8Å; V103-F105 HydrophobicContact CG1-CD1 4.25Å
106	C	97.6	Very high	96.3	Very high	38 Å²	38	66.6 Å²	66.6	26%	0.257	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	155.7	179.7	60.2	0	0	0	0	110.7	C40 L49 Q50 W51	C40-C106 HydrophobicContact CB-CB 3.67Å; C40-C106 WeakPolarHBondContact CB-SG 3.24Å; C40-C106 WeakPolarHBondContact SG-CB 3.42Å; C40-C106 CovalentContact SG-SG 2Å; C40-C106 PolarHBondContact SG-SG 2.48Å; L49-C106 HydrophobicContact CD1-CB 4.3Å; L49-C106 HydrophobicContact CD2-CB 3.84Å; L49-C106 HydrophobicContact CG-CB 4.18Å; Q50-C106 CarbonylContact O-C 3.49Å; Q50-C106 VanDerWaalsContact O-CA 3.26Å; Q50-C106 WeakPolarHBondContact O-CA 3.32Å; W51-C106 HydrophobicContact CD2-CB 4.31Å; W51-C106 HydrophobicContact CE3-CB 4.26Å; W51-C106 HydrophobicContact CH2-CB 4.41Å; W51-C106 HydrophobicContact CZ2-CB 4.43Å; W51-C106 HydrophobicContact CZ3-CB 4.32Å
107	A	97.5	Very high	96.1	Very high	38 Å²	38	71.2 Å²	71.2	31%	0.314	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	145.4	163.7	0	0	0	0	0	109.4	Q50 Y52	Q50-A107 PolarHBondContact N-O 2.65Å; Q50-A107 PolarHBondContact O-N 3.03Å; Y52-A107 HydrophobicContact CE2-CB 3.9Å
108	T	96.9	Very high	96	Very high	58 Å²	58	66.5 Å²	66.5	36%	0.356	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	160.4	170.5	63.8	0	0	0	0	109.5	Y42 I46	Y42-T108 HydrophobicContact CD2-CG2 4.48Å; Y42-T108 HydrophobicContact CG-CG2 4.08Å; I46-T108 HydrophobicContact CD1-CG2 4.48Å; I46-T108 HydrophobicContact CG2-CG2 3.54Å
109	D	88.5	Confident	96	Very high	131 Å²	131	63.9 Å²	63.9	70%	0.701	37%	0.367	S	S	*	.			trans	-69.1	0	167.7	67.3	-47.2	0	0	0	113.5	T47 A48	T47-D109 VanDerWaalsContact CB-OD2 3.24Å; T47-D109 WeakPolarHBondContact CB-OD2 3.38Å; T47-D109 WeakPolarHBondContact CG2-OD2 3.44Å; T47-D109 PolarHBondContact N-OD1 3.04Å; T47-D109 PolarHBondContact N-OD2 3.31Å; T47-D109 PolarHBondContact OG1-OD2 3Å; A48-D109 PolarHBondContact N-OD1 3.36Å; A48-D109 PolarHBondContact O-N 2.85Å; A48-D109 VanDerWaalsContact O-OD1 3.09Å

Retrieved 109 of 109 residues in 86.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).