A0A075B625_MOUSE Loading...

T cell receptor alpha variable 4D-3

AlphaFold DB , UniProt , Accession A0A075B625, Species MOUSE (Mus musculus, Mouse), Gene Trav4n-3, Length 110 aa.

						>A0A075B625_MOUSE|A0A075B625|Trav4n-3
MERNLGAVLGILWVQICWVSGDKVKQSPSALSLQEGTNSALRCNFSIAATTVQWFLQNPRGSLMNLFYLVPGTKENGRLKSAFDSKESYSTLHIRDAQLEDSGTYFCAAE
					

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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	51.9	Low	65.1	Low	218 Å²	218	114.5 Å²	114.5	100%	1.074	62%	0.615	S	S	*	*				0	0.1	0	-156.6	162.1	65.8	0	0	112.9
2	E	58.6	Low	65.3	Low	156 Å²	156	114.3 Å²	114.3	73%	0.729	61%	0.613	S	S	*	*	H	α-helix	trans	-70.6	-30.9	-177.6	-61.9	-61.1	109	0	0	115.3	N4 L5	E2-N4 VanDerWaalsContact C-N 3.31Å; E2-N4 PolarHBondContact O-N 3.29Å; E2-L5 PolarHBondContact O-N 3.21Å
3	R	60	Low	65.3	Low	227 Å²	227	119.2 Å²	119.2	86%	0.857	62%	0.618	S	S	*	*	H	α-helix	trans	-65.7	-30.1	-172.4	-168.4	172.6	64.4	-150	0	113.7
4	N	65.2	Low	65.4	Low	124 Å²	124	118.5 Å²	118.5	66%	0.663	62%	0.621	S	S	*	*	H	α-helix	trans	-75.3	-31.3	178.2	-101.5	6.3	0	0	0	112.3	E2 A7 V8	E2-N4 VanDerWaalsContact C-N 3.31Å; E2-N4 PolarHBondContact O-N 3.29Å; N4-A7 PolarHBondContact O-N 2.88Å; N4-V8 VanDerWaalsContact O-CG2 3.28Å; N4-V8 WeakPolarHBondContact O-CG2 3.49Å; N4-V8 PolarHBondContact O-N 3.13Å; N4-V8 VanDerWaalsContact O-N 3.09Å
5	L	63.9	Low	65.3	Low	107 Å²	107	120.9 Å²	120.9	56%	0.56	63%	0.628	S	S	*	*	H	α-helix	trans	-69	-41.6	-175.7	-162.3	68.8	0	0	0	111.2	E2 A7 V8 L9	E2-L5 PolarHBondContact O-N 3.21Å; L5-A7 PolarHBondContact O-N 3.31Å; L5-V8 PolarHBondContact O-N 3.43Å; L5-L9 HydrophobicContact CG-CD1 4.14Å; L5-L9 WeakPolarHBondContact O-CB 3.19Å; L5-L9 WeakPolarHBondContact O-CD1 3.45Å; L5-L9 PolarHBondContact O-N 3.14Å
6	G	67.2	Low	65	Low	49 Å²	49	120.7 Å²	120.7	51%	0.505	63%	0.626	S	S	.	*	H	α-helix	trans	-63.6	-37.5	176.6	0	0	0	0	0	113.8	G10	G6-G10 PolarHBondContact O-N 3Å
7	A	72.4	Confident	64.9	Low	52 Å²	52	120.3 Å²	120.3	43%	0.43	63%	0.634	S	S	.	*	H	α-helix	trans	-68.2	-42.7	175.8	0	0	0	0	0	111.9	N4 L5 G10 I11	N4-A7 PolarHBondContact O-N 2.88Å; L5-A7 PolarHBondContact O-N 3.31Å; A7-G10 PolarHBondContact O-N 2.95Å; A7-I11 WeakPolarHBondContact O-CD1 3.47Å; A7-I11 VanDerWaalsContact O-CG1 3.24Å; A7-I11 WeakPolarHBondContact O-CG1 3.46Å; A7-I11 PolarHBondContact O-N 2.97Å
8	V	70.1	Confident	64.9	Low	91 Å²	91	125.8 Å²	125.8	55%	0.552	65%	0.645	S	S	*	*	H	α-helix	trans	-63.9	-44	176.8	173.8	0	0	0	0	111.1	N4 L5 I11 L12	N4-V8 VanDerWaalsContact O-CG2 3.28Å; N4-V8 WeakPolarHBondContact O-CG2 3.49Å; N4-V8 PolarHBondContact O-N 3.13Å; N4-V8 VanDerWaalsContact O-N 3.09Å; L5-V8 PolarHBondContact O-N 3.43Å; V8-I11 PolarHBondContact O-N 3.06Å; V8-L12 WeakPolarHBondContact O-CB 3.46Å; V8-L12 PolarHBondContact O-N 3.5Å
9	L	70.4	Confident	64.7	Low	87 Å²	87	125.9 Å²	125.9	46%	0.455	65%	0.652	S	S	.	*	H	α-helix	trans	-58	-48.8	173	-89.7	146.2	0	0	0	111	L5 I11 L12 W13	L5-L9 HydrophobicContact CG-CD1 4.14Å; L5-L9 WeakPolarHBondContact O-CB 3.19Å; L5-L9 WeakPolarHBondContact O-CD1 3.45Å; L5-L9 PolarHBondContact O-N 3.14Å; L9-I11 PolarHBondContact O-N 2.86Å; L9-L12 PolarHBondContact O-N 3.13Å; L9-W13 PolarHBondContact O-N 3.45Å
10	G	69.1	Low	64.8	Low	35 Å²	35	124.4 Å²	124.4	36%	0.361	65%	0.653	S	S	.	*	H	α-helix	trans	-58.7	-42.3	178.3	0	0	0	0	0	113.8	G6 A7 W13 V14	G6-G10 PolarHBondContact O-N 3Å; A7-G10 PolarHBondContact O-N 2.95Å; G10-W13 PolarHBondContact O-N 3.19Å; G10-V14 WeakPolarHBondContact O-CG2 3.28Å; G10-V14 PolarHBondContact O-N 3.31Å
11	I	67.7	Low	64.9	Low	114 Å²	114	121.4 Å²	121.4	59%	0.585	65%	0.653	S	S	*	*	H	α-helix	trans	-65.8	-39.7	176.6	-66.3	160.9	0	0	0	111.1	A7 V8 L9 W13 V14 Q15	A7-I11 WeakPolarHBondContact O-CD1 3.47Å; A7-I11 VanDerWaalsContact O-CG1 3.24Å; A7-I11 WeakPolarHBondContact O-CG1 3.46Å; A7-I11 PolarHBondContact O-N 2.97Å; V8-I11 PolarHBondContact O-N 3.06Å; L9-I11 PolarHBondContact O-N 2.86Å; I11-W13 PolarHBondContact O-N 3.41Å; I11-V14 PolarHBondContact O-N 3.44Å; I11-Q15 PolarHBondContact O-N 3.35Å
12	L	67.2	Low	65.7	Low	111 Å²	111	118.1 Å²	118.1	58%	0.581	64%	0.639	S	S	*	*	H	α-helix	trans	-64.8	-38.4	178.8	-165.5	71.7	0	0	0	111.9	V8 L9 I16	V8-L12 WeakPolarHBondContact O-CB 3.46Å; V8-L12 PolarHBondContact O-N 3.5Å; L9-L12 PolarHBondContact O-N 3.13Å; L12-I16 WeakPolarHBondContact O-CG1 3.43Å
13	W	65.2	Low	67.1	Low	179 Å²	179	116.9 Å²	116.9	68%	0.678	63%	0.632	S	S	*	*	H	α-helix	trans	-65.4	-37.4	175.1	-75.1	107.9	0	0	0	113	L9 G10 I11	L9-W13 PolarHBondContact O-N 3.45Å; G10-W13 PolarHBondContact O-N 3.19Å; I11-W13 PolarHBondContact O-N 3.41Å
14	V	67.1	Low	68.7	Low	109 Å²	109	108 Å²	108	66%	0.661	60%	0.602	S	S	*	*	H	α-helix	trans	-68.6	-36.4	-179.5	173.4	0	0	0	0	111.9	G10 I11 I16 C17	G10-V14 WeakPolarHBondContact O-CG2 3.28Å; G10-V14 PolarHBondContact O-N 3.31Å; I11-V14 PolarHBondContact O-N 3.44Å; V14-I16 VanDerWaalsContact C-N 3.32Å; V14-I16 PolarHBondContact O-N 3.46Å; V14-C17 PolarHBondContact O-N 2.95Å
15	Q	63	Low	70.2	Confident	155 Å²	155	109.6 Å²	109.6	72%	0.724	60%	0.603	S	S	*	*	H	α-helix	trans	-68.5	-27.7	-179	-72.5	-89.9	-77.3	0	0	113.4	I11 C17	I11-Q15 PolarHBondContact O-N 3.35Å; Q15-C17 VanDerWaalsContact C-N 3.27Å; Q15-C17 PolarHBondContact O-N 2.64Å
16	I	61.6	Low	71.8	Confident	117 Å²	117	107 Å²	107	60%	0.6	59%	0.588	S	S	*	*	H	α-helix	trans	-73.6	-19.6	-178.8	-64	166.9	0	0	0	111.8	L12 V14 W18	L12-I16 WeakPolarHBondContact O-CG1 3.43Å; V14-I16 VanDerWaalsContact C-N 3.32Å; V14-I16 PolarHBondContact O-N 3.46Å; I16-W18 VanDerWaalsContact C-N 3.32Å; I16-W18 PolarHBondContact O-N 3.09Å
17	C	62.6	Low	73.2	Confident	114 Å²	114	107 Å²	107	77%	0.77	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-2.2	-173.6	-72.3	0	0	0	0	115.6	V14 Q15	V14-C17 PolarHBondContact O-N 2.95Å; Q15-C17 VanDerWaalsContact C-N 3.27Å; Q15-C17 PolarHBondContact O-N 2.64Å
18	W	64.4	Low	74.4	Confident	219 Å²	219	107.5 Å²	107.5	83%	0.83	58%	0.579	S	S	*	*			trans	-115.2	56.6	-176.2	-145.9	-26.9	0	0	0	113.5	I16	I16-W18 VanDerWaalsContact C-N 3.32Å; I16-W18 PolarHBondContact O-N 3.09Å
19	V	62.7	Low	75.7	Confident	129 Å²	129	109 Å²	109	78%	0.782	59%	0.594	S	S	*	*			trans	-98.2	99.4	158.9	-177.6	0	0	0	0	107.4	G21	V19-G21 PolarHBondContact O-N 3.3Å
20	S	66.2	Low	76.9	Confident	94 Å²	94	109.1 Å²	109.1	66%	0.657	61%	0.607	S	S	*	*			trans	-72.2	99.6	169.8	-58.9	0	0	0	0	108.4
21	G	65.4	Low	78.2	Confident	63 Å²	63	110.9 Å²	110.9	65%	0.649	61%	0.608	S	S	*	*			trans	-77.2	155.6	178	0	0	0	0	0	114.2	V19	V19-G21 PolarHBondContact O-N 3.3Å
22	D	68.8	Low	79.6	Confident	149 Å²	149	111 Å²	111	80%	0.797	62%	0.619	S	S	*	*			trans	60.3	81.4	171	-64.3	-5	0	0	0	118.9	V24	D22-V24 PolarHBondContact O-N 3.22Å
23	K	87.9	Confident	80.9	Confident	130 Å²	130	108.8 Å²	108.8	57%	0.565	61%	0.608	S	S	*	*	S	Bend	trans	-73.2	-11.9	163.9	-62	177.8	179.7	-180	0	113.6	F45 S46 I47	K23-F45 VanDerWaalsContact O-CA 3.3Å; K23-F45 WeakPolarHBondContact O-CA 3.26Å; K23-S46 PolarHBondContact O-N 3.4Å; K23-I47 HydrophobicContact CB-CG2 4.22Å; K23-I47 HydrophobicContact CD-CD1 4.34Å; K23-I47 HydrophobicContact CD-CG2 4.09Å; K23-I47 HydrophobicContact CG-CG2 4.11Å
24	V	94.5	Very high	82.4	Confident	40 Å²	40	107.3 Å²	107.3	24%	0.242	61%	0.608	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.9	133.2	-171	-174.5	0	0	0	0	109.9	D22 C43 N44 F45	D22-V24 PolarHBondContact O-N 3.22Å; V24-C43 WeakPolarHBondContact CG1-SG 3.24Å; V24-N44 CarbonylContact C-O 3.47Å; V24-N44 VanDerWaalsContact CA-O 3.31Å; V24-N44 WeakPolarHBondContact CA-O 3.27Å; V24-F45 HydrophobicContact CB-CD1 4.28Å; V24-F45 HydrophobicContact CG1-CD1 3.85Å; V24-F45 HydrophobicContact CG1-CE1 3.84Å; V24-F45 HydrophobicContact CG2-CD1 3.86Å; V24-F45 HydrophobicContact CG2-CE1 4.34Å
25	K	96.3	Very high	83.9	Confident	157 Å²	157	107.6 Å²	107.6	68%	0.683	60%	0.602	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-128.5	117.9	176.7	-172.3	177.3	-178.2	177.6	0	111.4	N44	K25-N44 PolarHBondContact N-O 2.84Å; K25-N44 PolarHBondContact O-N 2.85Å
26	Q	97.4	Very high	85.5	Confident	53 Å²	53	102.2 Å²	102.2	25%	0.248	59%	0.588	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.6	143.3	178	-76.2	179.4	-135.9	0	0	113	R42 C43 Y105 C107	Q26-R42 CarbonylContact C-O 3.49Å; Q26-R42 VanDerWaalsContact CA-O 3.25Å; Q26-R42 WeakPolarHBondContact CA-O 3.39Å; Q26-C43 HydrophobicContact CG-CB 4.17Å; Q26-Y105 PolarHBondContact NE2-O 2.7Å; Q26-C107 HydrophobicContact CG-CB 4.17Å
27	S	97.9	Very high	87.3	Confident	49 Å²	49	99.2 Å²	99.2	34%	0.343	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-146.9	143	177.1	62.6	0	0	0	0	112.3	R42	S27-R42 PolarHBondContact N-O 2.8Å; S27-R42 PolarHBondContact O-N 2.9Å
28	P	97.9	Very high	89	Confident	62 Å²	62	99.2 Å²	99.2	40%	0.403	57%	0.568	S	S	.	*	S	Bend	cis	-65.9	157.5	-12.7	31.7	-37.3	0	0	0	111.2	A30 L31 L41	P28-A30 VanDerWaalsContact C-N 3.31Å; P28-L31 HydrophobicContact CG-CB 4.17Å; P28-L31 HydrophobicContact CG-CD2 4.01Å; P28-L41 HydrophobicContact CG-CD2 4.44Å
29	S	96	Very high	90.6	Very high	124 Å²	124	90 Å²	90	87%	0.867	54%	0.537	S	S	*	.	S	Bend	trans	-72.4	-26.6	179.6	-53	0	0	0	0	112.9
30	A	96.6	Very high	92.2	Very high	88 Å²	88	85.7 Å²	85.7	73%	0.727	52%	0.515	S	S	*	.			trans	-149.9	151.1	173.6	0	0	0	0	0	108.9	P28	P28-A30 VanDerWaalsContact C-N 3.31Å
31	L	95.4	Very high	93.8	Very high	72 Å²	72	81.7 Å²	81.7	38%	0.377	49%	0.486	S	S	.	.			trans	-146.9	144.6	179.4	58.9	94.3	0	0	0	109.6	P28 L33 L41	P28-L31 HydrophobicContact CG-CB 4.17Å; P28-L31 HydrophobicContact CG-CD2 4.01Å; L31-L33 HydrophobicContact CD1-CD1 3.46Å; L31-L33 VanDerWaalsContact CD1-CD1 3.46Å; L31-L33 HydrophobicContact CD1-CD2 4.06Å; L31-L33 HydrophobicContact CD1-CG 3.45Å; L31-L33 VanDerWaalsContact CD1-CG 3.45Å; L31-L41 HydrophobicContact CD2-CD2 3.42Å; L31-L41 VanDerWaalsContact CD2-CD2 3.42Å; L31-L41 HydrophobicContact CD2-CG 4.28Å
32	S	96.5	Very high	95.4	Very high	117 Å²	117	83.5 Å²	83.5	82%	0.818	47%	0.473	S	S	*	.			trans	-123	123.6	171.9	-176.2	0	0	0	0	107.2
33	L	94.7	Very high	96.8	Very high	65 Å²	65	76.4 Å²	76.4	34%	0.34	44%	0.435	S	S	.	.			trans	-122.6	154.6	-173.7	-56.4	175.8	0	0	0	110.5	L31 S39 A97	L31-L33 HydrophobicContact CD1-CD1 3.46Å; L31-L33 VanDerWaalsContact CD1-CD1 3.46Å; L31-L33 HydrophobicContact CD1-CD2 4.06Å; L31-L33 HydrophobicContact CD1-CG 3.45Å; L31-L33 VanDerWaalsContact CD1-CG 3.45Å; L33-S39 VanDerWaalsContact CD1-CB 3.46Å; L33-A97 HydrophobicContact CD1-CB 4.23Å
34	Q	97.5	Very high	97.2	Very high	147 Å²	147	72.5 Å²	72.5	69%	0.687	42%	0.421	S	S	*	.			trans	-87.8	148.4	164.6	-62.1	-61.6	-48.3	0	0	109	T37	Q34-T37 HydrophobicContact CB-CG2 3.97Å; Q34-T37 WeakPolarHBondContact O-CB 3.37Å; Q34-T37 WeakPolarHBondContact O-CG2 3.5Å; Q34-T37 PolarHBondContact O-N 3.01Å; Q34-T37 PolarHBondContact O-OG1 3.1Å
35	E	97.7	Very high	97.2	Very high	116 Å²	116	71.3 Å²	71.3	54%	0.542	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	145.6	173.7	-69.3	180	-115.5	0	0	110.9	T37 A97 L99	E35-T37 PolarHBondContact O-N 3.16Å; E35-A97 CarbonylContact C-O 3.49Å; E35-A97 WeakPolarHBondContact CA-O 3.41Å; E35-L99 HydrophobicContact CG-CD2 4.44Å; E35-L99 HydrophobicContact CG-CG 4.37Å; E35-L99 WeakPolarHBondContact OE1-CG 3.44Å
36	G	98.2	Very high	97.1	Very high	41 Å²	41	68.3 Å²	68.3	42%	0.423	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-6.7	-176.6	0	0	0	0	0	115.5	D96 A97	G36-D96 WeakPolarHBondContact CA-OD1 3.4Å; G36-A97 PolarHBondContact N-O 3.29Å
37	T	98.3	Very high	96.7	Very high	54 Å²	54	68.2 Å²	68.2	33%	0.331	41%	0.411	S	S	.	.			trans	-81.4	153.9	176.8	63.9	0	0	0	0	112.3	Q34 E35 A97	Q34-T37 HydrophobicContact CB-CG2 3.97Å; Q34-T37 WeakPolarHBondContact O-CB 3.37Å; Q34-T37 WeakPolarHBondContact O-CG2 3.5Å; Q34-T37 PolarHBondContact O-N 3.01Å; Q34-T37 PolarHBondContact O-OG1 3.1Å; E35-T37 PolarHBondContact O-N 3.16Å; T37-A97 VanDerWaalsContact O-CB 3.27Å; T37-A97 WeakPolarHBondContact O-CB 3.2Å; T37-A97 PolarHBondContact O-N 3.45Å
38	N	98.2	Very high	96.5	Very high	115 Å²	115	70.2 Å²	70.2	62%	0.615	43%	0.431	S	S	*	.			trans	-97.9	141.8	174.2	-61.5	-28.1	0	0	0	109.8	I94 R95 D96	N38-I94 WeakPolarHBondContact CA-O 3.37Å; N38-R95 VanDerWaalsContact OD1-CA 3.22Å; N38-R95 WeakPolarHBondContact OD1-CA 3.45Å; N38-D96 PolarHBondContact OD1-N 3.09Å
39	S	97.6	Very high	96.3	Very high	26 Å²	26	67.6 Å²	67.6	18%	0.182	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	167	176.8	-168.9	0	0	0	0	111.6	L33 H93 I94	L33-S39 VanDerWaalsContact CD1-CB 3.46Å; S39-H93 WeakPolarHBondContact O-CA 3.43Å; S39-I94 PolarHBondContact N-O 3.21Å; S39-I94 PolarHBondContact O-N 3.39Å
40	A	98.3	Very high	96.3	Very high	38 Å²	38	66.1 Å²	66.1	31%	0.314	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	138.9	176.2	0	0	0	0	0	111.5	L92	A40-L92 CarbonylContact C-O 3.47Å; A40-L92 VanDerWaalsContact CA-O 3.26Å; A40-L92 WeakPolarHBondContact CA-O 3.41Å
41	L	98.6	Very high	96.4	Very high	9 Å²	9	62.7 Å²	62.7	5%	0.047	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	142.4	165.5	-63.4	173.1	0	0	0	108.5	P28 L31 W54 T91 L92 Y105	P28-L41 HydrophobicContact CG-CD2 4.44Å; L31-L41 HydrophobicContact CD2-CD2 3.42Å; L31-L41 VanDerWaalsContact CD2-CD2 3.42Å; L31-L41 HydrophobicContact CD2-CG 4.28Å; L41-W54 HydrophobicContact CB-CH2 3.75Å; L41-W54 HydrophobicContact CB-CZ3 3.98Å; L41-W54 HydrophobicContact CD1-CZ3 4.13Å; L41-T91 CarbonylContact O-C 3.55Å; L41-T91 WeakPolarHBondContact O-CA 3.14Å; L41-L92 HydrophobicContact CB-CB 4.38Å; L41-L92 HydrophobicContact CD1-CD2 4.37Å; L41-L92 PolarHBondContact N-O 2.99Å; L41-L92 PolarHBondContact O-N 2.85Å; L41-Y105 HydrophobicContact CD1-CD1 3.97Å; L41-Y105 HydrophobicContact CD1-CD2 3.82Å; L41-Y105 HydrophobicContact CD1-CG 3.44Å; L41-Y105 VanDerWaalsContact CD1-CG 3.44Å
42	R	98.5	Very high	96.5	Very high	101 Å²	101	59.2 Å²	59.2	38%	0.381	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.9	173.2	-176	174.4	178.4	139.7	1.3	109.6	Q26 S27 N44 Y89 S90 T91	Q26-R42 CarbonylContact C-O 3.49Å; Q26-R42 VanDerWaalsContact CA-O 3.25Å; Q26-R42 WeakPolarHBondContact CA-O 3.39Å; S27-R42 PolarHBondContact N-O 2.8Å; S27-R42 PolarHBondContact O-N 2.9Å; R42-N44 PolarHBondContact NE-OD1 2.82Å; R42-N44 PolarHBondContact NH2-OD1 3.4Å; R42-Y89 HydrophobicContact CG-CD2 4.48Å; R42-S90 WeakPolarHBondContact CA-O 3.36Å; R42-T91 HydrophobicContact CB-CG2 4.26Å; R42-T91 HydrophobicContact CG-CG2 4.14Å
43	C	98	Very high	96.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	112.7	179.9	-176.9	0	0	0	0	107.9	V24 Q26 F45 W54 Y89 S90 C107	V24-C43 WeakPolarHBondContact CG1-SG 3.24Å; Q26-C43 HydrophobicContact CG-CB 4.17Å; C43-F45 HydrophobicContact CB-CE1 4.25Å; C43-F45 HydrophobicContact CB-CZ 4.15Å; C43-F45 WeakPolarHBondContact SG-CE1 3.36Å; C43-F45 VanDerWaalsContact SG-CZ 3.52Å; C43-W54 HydrophobicContact CB-CH2 3.64Å; C43-W54 HydrophobicContact CB-CZ2 3.5Å; C43-Y89 CarbonylContact O-C 3.53Å; C43-Y89 WeakPolarHBondContact O-CA 3.41Å; C43-Y89 WeakPolarHBondContact O-CB 3.35Å; C43-S90 PolarHBondContact N-O 2.02Å; C43-S90 PolarHBondContact O-N 2.97Å; C43-C107 HydrophobicContact CB-CB 3.6Å; C43-C107 WeakPolarHBondContact CB-SG 3.49Å; C43-C107 WeakPolarHBondContact SG-CB 3.22Å; C43-C107 CovalentContact SG-SG 2.02Å; C43-C107 PolarHBondContact SG-SG 3.1Å
44	N	97.6	Very high	96.8	Very high	49 Å²	49	53.3 Å²	53.3	26%	0.262	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	146	-180	-54.6	-86.3	0	0	0	109.4	V24 K25 R42 Y89	V24-N44 CarbonylContact C-O 3.47Å; V24-N44 VanDerWaalsContact CA-O 3.31Å; V24-N44 WeakPolarHBondContact CA-O 3.27Å; K25-N44 PolarHBondContact N-O 2.84Å; K25-N44 PolarHBondContact O-N 2.85Å; R42-N44 PolarHBondContact NE-OD1 2.82Å; R42-N44 PolarHBondContact NH2-OD1 3.4Å; N44-Y89 WeakPolarHBondContact OD1-CB 3.25Å
45	F	94.9	Very high	96.8	Very high	15 Å²	15	48 Å²	48	7%	0.066	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.5	-177	-41	-64.8	0	0	0	109.8	K23 V24 C43 I47 A49 V52 F83 S88 C107 A109	K23-F45 VanDerWaalsContact O-CA 3.3Å; K23-F45 WeakPolarHBondContact O-CA 3.26Å; V24-F45 HydrophobicContact CB-CD1 4.28Å; V24-F45 HydrophobicContact CG1-CD1 3.85Å; V24-F45 HydrophobicContact CG1-CE1 3.84Å; V24-F45 HydrophobicContact CG2-CD1 3.86Å; V24-F45 HydrophobicContact CG2-CE1 4.34Å; C43-F45 HydrophobicContact CB-CE1 4.25Å; C43-F45 HydrophobicContact CB-CZ 4.15Å; C43-F45 WeakPolarHBondContact SG-CE1 3.36Å; C43-F45 VanDerWaalsContact SG-CZ 3.52Å; F45-I47 VanDerWaalsContact C-N 3.33Å; F45-I47 HydrophobicContact CB-CG1 4.34Å; F45-A49 HydrophobicContact CD2-CB 4.41Å; F45-V52 HydrophobicContact CE2-CG2 3.57Å; F45-V52 HydrophobicContact CZ-CB 4.44Å; F45-V52 HydrophobicContact CZ-CG1 3.99Å; F45-V52 HydrophobicContact CZ-CG2 3.52Å; F45-F83 HydrophobicContact CE2-CD2 4.37Å; F45-F83 HydrophobicContact CE2-CE2 4.16Å; F45-S88 VanDerWaalsContact CD2-O 3.28Å; F45-S88 WeakPolarHBondContact CD2-O 3.39Å; F45-S88 PolarHBondContact N-O 3.42Å; F45-S88 WeakPolarHBondContact O-CB 3.28Å; F45-C107 VanDerWaalsContact CE1-SG 3.53Å; F45-A109 HydrophobicContact CD1-CB 3.28Å; F45-A109 HydrophobicContact CD2-CB 4.08Å; F45-A109 HydrophobicContact CE1-CB 3.18Å; F45-A109 HydrophobicContact CE2-CB 4.05Å; F45-A109 HydrophobicContact CG-CB 3.73Å; F45-A109 HydrophobicContact CZ-CB 3.63Å
46	S	93.1	Very high	96.8	Very high	93 Å²	93	43.4 Å²	43.4	65%	0.65	26%	0.264	S	S	*	.	S	Bend	trans	-94.6	6.4	170.8	70.4	0	0	0	0	112.5	K23	K23-S46 PolarHBondContact O-N 3.4Å
47	I	90.2	Very high	96.8	Very high	51 Å²	51	44.6 Å²	44.6	26%	0.262	26%	0.258	S	S	.	.	S	Bend	trans	-122.1	153.9	-177.1	62.7	167.5	0	0	0	110.2	K23 F45 A49	K23-I47 HydrophobicContact CB-CG2 4.22Å; K23-I47 HydrophobicContact CD-CD1 4.34Å; K23-I47 HydrophobicContact CD-CG2 4.09Å; K23-I47 HydrophobicContact CG-CG2 4.11Å; F45-I47 VanDerWaalsContact C-N 3.33Å; F45-I47 HydrophobicContact CB-CG1 4.34Å; I47-A49 PolarHBondContact O-N 3.31Å; I47-A49 VanDerWaalsContact O-N 3.08Å
48	A	92.4	Very high	96.4	Very high	92 Å²	92	44 Å²	44	76%	0.76	25%	0.253	S	S	*	.			trans	-69.3	104.2	168	0	0	0	0	0	108.8
49	A	94.6	Very high	95.7	Very high	6 Å²	6	44.2 Å²	44.2	5%	0.05	26%	0.261	C	S	.	.			trans	-95.5	141.9	175.9	0	0	0	0	0	110.5	F45 I47 F83 A109 E110	F45-A49 HydrophobicContact CD2-CB 4.41Å; I47-A49 PolarHBondContact O-N 3.31Å; I47-A49 VanDerWaalsContact O-N 3.08Å; A49-F83 HydrophobicContact CB-CE2 4.39Å; A49-F83 HydrophobicContact CB-CZ 3.97Å; A49-F83 WeakPolarHBondContact O-CZ 3.41Å; A49-A109 HydrophobicContact CB-CB 3.77Å; A49-E110 CarbonylContact C-O 3.6Å
50	T	96.6	Very high	95.3	Very high	94 Å²	94	54.1 Å²	54.1	58%	0.577	29%	0.294	S	S	*	.	S	Bend	trans	-103.1	-23.6	172.3	61.1	0	0	0	0	112.1	F83 E110	T50-F83 WeakPolarHBondContact O-CE1 3.48Å; T50-E110 WeakPolarHBondContact CA-O 3.41Å; T50-E110 PolarHBondContact N-O 2.96Å; T50-E110 PolarHBondContact OG1-O 3.01Å
51	T	97.6	Very high	94.8	Very high	15 Å²	15	54.2 Å²	54.2	9%	0.092	30%	0.299	C	S	.	.			trans	-139.9	154.5	178.1	69	0	0	0	0	111.8	Y68 L69 V70 A109 E110	T51-Y68 HydrophobicContact CG2-CE1 4.47Å; T51-L69 CarbonylContact C-O 3.55Å; T51-L69 WeakPolarHBondContact CA-O 3.49Å; T51-L69 WeakPolarHBondContact CB-O 3.44Å; T51-V70 HydrophobicContact CG2-CG1 4.48Å; T51-A109 WeakPolarHBondContact O-CA 3.34Å; T51-E110 PolarHBondContact N-O 3.38Å; T51-E110 PolarHBondContact O-N 3.29Å; T51-E110 VanDerWaalsContact O-N 3.09Å
52	V	97.9	Very high	94.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.8	174.1	175.9	0	0	0	0	110.2	F45 L69 F83 A108 A109	F45-V52 HydrophobicContact CE2-CG2 3.57Å; F45-V52 HydrophobicContact CZ-CB 4.44Å; F45-V52 HydrophobicContact CZ-CG1 3.99Å; F45-V52 HydrophobicContact CZ-CG2 3.52Å; V52-L69 PolarHBondContact N-O 3.28Å; V52-L69 PolarHBondContact O-N 2.89Å; V52-F83 HydrophobicContact CB-CD1 4.27Å; V52-F83 HydrophobicContact CB-CD2 4.39Å; V52-F83 HydrophobicContact CB-CG 4.15Å; V52-F83 HydrophobicContact CG2-CB 4.45Å; V52-F83 HydrophobicContact CG2-CD1 3.87Å; V52-F83 HydrophobicContact CG2-CD2 3.46Å; V52-F83 VanDerWaalsContact CG2-CD2 3.46Å; V52-F83 HydrophobicContact CG2-CE1 3.95Å; V52-F83 HydrophobicContact CG2-CE2 3.55Å; V52-F83 HydrophobicContact CG2-CG 3.66Å; V52-F83 HydrophobicContact CG2-CZ 3.81Å; V52-A108 CarbonylContact C-O 3.58Å; V52-A108 WeakPolarHBondContact CA-O 3.5Å; V52-A109 HydrophobicContact CG2-CB 4.1Å
53	Q	98	Very high	94.4	Very high	57 Å²	57	56.5 Å²	56.5	27%	0.266	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.9	171.6	-65	179.8	-72	0	0	111.2	F55 F67 Y68 C107 A108	Q53-F55 HydrophobicContact CB-CD2 4.3Å; Q53-F55 HydrophobicContact CB-CE2 3.41Å; Q53-F55 VanDerWaalsContact CB-CE2 3.41Å; Q53-F55 HydrophobicContact CB-CZ 3.65Å; Q53-F55 HydrophobicContact CG-CE2 4.48Å; Q53-F55 HydrophobicContact CG-CZ 4.3Å; Q53-F67 VanDerWaalsContact CA-O 3.28Å; Q53-F67 WeakPolarHBondContact CA-O 3.37Å; Q53-Y68 HydrophobicContact CG-CD2 3.54Å; Q53-Y68 HydrophobicContact CG-CE2 4.2Å; Q53-Y68 HydrophobicContact CG-CG 4.4Å; Q53-C107 WeakPolarHBondContact O-CA 3.2Å; Q53-A108 PolarHBondContact N-O 2.87Å; Q53-A108 PolarHBondContact O-N 2.72Å
54	W	98.5	Very high	94.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.3	169.3	-77.1	96.5	0	0	0	109.8	L41 C43 L66 F67 S81 S90 L92 F106 C107	L41-W54 HydrophobicContact CB-CH2 3.75Å; L41-W54 HydrophobicContact CB-CZ3 3.98Å; L41-W54 HydrophobicContact CD1-CZ3 4.13Å; C43-W54 HydrophobicContact CB-CH2 3.64Å; C43-W54 HydrophobicContact CB-CZ2 3.5Å; W54-L66 HydrophobicContact CB-CB 4.25Å; W54-L66 HydrophobicContact CB-CD1 4.48Å; W54-L66 WeakPolarHBondContact O-CB 3.43Å; W54-L66 PolarHBondContact O-N 2.99Å; W54-F67 PolarHBondContact N-O 3.31Å; W54-F67 VanDerWaalsContact N-O 3.09Å; W54-F67 PolarHBondContact O-N 2.92Å; W54-S81 VanDerWaalsContact CD1-OG 3.23Å; W54-S81 PolarHBondContact NE1-OG 2.98Å; W54-S90 PolarHBondContact NE1-OG 2.95Å; W54-L92 HydrophobicContact CB-CD2 4.37Å; W54-L92 HydrophobicContact CD2-CB 3.68Å; W54-L92 HydrophobicContact CD2-CD2 3.97Å; W54-L92 HydrophobicContact CD2-CG 4.38Å; W54-L92 HydrophobicContact CE3-CB 3.92Å; W54-L92 HydrophobicContact CE3-CD2 3.71Å; W54-L92 HydrophobicContact CE3-CG 4.46Å; W54-L92 HydrophobicContact CG-CB 4.19Å; W54-L92 HydrophobicContact CG-CD2 4.27Å; W54-L92 HydrophobicContact CH2-CB 4.06Å; W54-L92 HydrophobicContact CZ2-CB 3.84Å; W54-L92 HydrophobicContact CZ3-CB 4.1Å; W54-L92 HydrophobicContact CZ3-CD2 4.27Å; W54-F106 CarbonylContact C-O 3.5Å; W54-F106 WeakPolarHBondContact CA-O 3.48Å; W54-C107 HydrophobicContact CD2-CB 4.12Å; W54-C107 HydrophobicContact CE3-CB 3.88Å; W54-C107 HydrophobicContact CH2-CB 3.94Å; W54-C107 HydrophobicContact CZ2-CB 4.15Å; W54-C107 HydrophobicContact CZ3-CB 3.79Å
55	F	98.1	Very high	94.3	Very high	37 Å²	37	62.9 Å²	62.9	16%	0.162	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	150	178.5	-53	-95.1	0	0	0	110.9	Q53 L63 M64 N65 Y105 F106 A108	Q53-F55 HydrophobicContact CB-CD2 4.3Å; Q53-F55 HydrophobicContact CB-CE2 3.41Å; Q53-F55 VanDerWaalsContact CB-CE2 3.41Å; Q53-F55 HydrophobicContact CB-CZ 3.65Å; Q53-F55 HydrophobicContact CG-CE2 4.48Å; Q53-F55 HydrophobicContact CG-CZ 4.3Å; F55-L63 HydrophobicContact CB-CD1 3.72Å; F55-L63 HydrophobicContact CB-CD2 4.47Å; F55-L63 HydrophobicContact CB-CG 4.02Å; F55-L63 HydrophobicContact CD1-CD2 4.1Å; F55-L63 HydrophobicContact CD1-CG 4.14Å; F55-L63 HydrophobicContact CG-CD1 4.46Å; F55-L63 HydrophobicContact CG-CD2 4.36Å; F55-L63 HydrophobicContact CG-CG 4.35Å; F55-M64 CarbonylContact C-O 3.56Å; F55-M64 WeakPolarHBondContact CA-O 3.32Å; F55-N65 HydrophobicContact CD1-CB 4.06Å; F55-N65 HydrophobicContact CE1-CB 4.06Å; F55-N65 WeakPolarHBondContact CE1-ND2 3.19Å; F55-Y105 VanDerWaalsContact O-CA 3.32Å; F55-Y105 WeakPolarHBondContact O-CA 3.5Å; F55-F106 HydrophobicContact CB-CB 4.31Å; F55-F106 PolarHBondContact N-O 3.25Å; F55-F106 PolarHBondContact O-N 2.94Å; F55-A108 HydrophobicContact CE2-CB 4.21Å
56	L	97.9	Very high	94.5	Very high	18 Å²	18	63.6 Å²	63.6	9%	0.094	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.1	168.1	174.1	58.6	0	0	0	108.8	M64 L66 Y105	L56-M64 PolarHBondContact N-O 3.25Å; L56-M64 PolarHBondContact O-N 2.83Å; L56-L66 HydrophobicContact CB-CD1 4.04Å; L56-L66 HydrophobicContact CB-CD2 4.02Å; L56-L66 HydrophobicContact CB-CG 4.14Å; L56-Y105 HydrophobicContact CB-CD1 4.44Å; L56-Y105 HydrophobicContact CB-CE1 4.28Å; L56-Y105 HydrophobicContact CD1-CD1 4.25Å; L56-Y105 HydrophobicContact CD1-CD2 4.05Å; L56-Y105 HydrophobicContact CD1-CE1 3.99Å; L56-Y105 HydrophobicContact CD1-CE2 3.75Å; L56-Y105 HydrophobicContact CD1-CG 4.3Å
57	Q	97.7	Very high	94.7	Very high	67 Å²	67	59.7 Å²	59.7	31%	0.313	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	115	165.7	-174.5	178	42.3	0	0	109.1	G61 S62 L63 G103 T104 F106	Q57-G61 PolarHBondContact NE2-O 2.82Å; Q57-S62 WeakPolarHBondContact CA-O 3.5Å; Q57-L63 HydrophobicContact CB-CD1 3.89Å; Q57-G103 WeakPolarHBondContact O-CA 3.39Å; Q57-T104 PolarHBondContact N-O 3.09Å; Q57-T104 PolarHBondContact O-N 2.88Å; Q57-F106 HydrophobicContact CB-CD2 4.29Å; Q57-F106 HydrophobicContact CB-CE2 3.7Å
58	N	89.4	Confident	95.1	Very high	40 Å²	40	62.7 Å²	62.7	21%	0.214	34%	0.34	C	S	.	.			trans	-73.7	166	176.1	68.9	18.3	0	0	0	111.3	R60 G61 S62	N58-R60 PolarHBondContact O-N 2.86Å; N58-R60 WeakPolarHBondContact OD1-CA 3.5Å; N58-R60 WeakPolarHBondContact OD1-CB 3.16Å; N58-R60 PolarHBondContact OD1-N 3.37Å; N58-R60 VanDerWaalsContact OD1-N 3.13Å; N58-G61 PolarHBondContact O-N 3.09Å; N58-G61 PolarHBondContact OD1-N 3.18Å; N58-G61 VanDerWaalsContact OD1-N 3.14Å; N58-S62 PolarHBondContact N-O 2.9Å; N58-S62 VanDerWaalsContact N-O 3.1Å; N58-S62 PolarHBondContact OD1-N 2.81Å
59	P	84.5	Confident	95.4	Very high	120 Å²	120	58.3 Å²	58.3	78%	0.779	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.3	178.4	-27.3	35.9	0	0	0	114.9	G61	P59-G61 VanDerWaalsContact C-N 3.26Å
60	R	88.5	Confident	95.6	Very high	234 Å²	234	62.1 Å²	62.1	88%	0.883	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	0.7	175.4	-58.9	-177.5	-172.6	131.3	1.9	112.9	N58	N58-R60 PolarHBondContact O-N 2.86Å; N58-R60 WeakPolarHBondContact OD1-CA 3.5Å; N58-R60 WeakPolarHBondContact OD1-CB 3.16Å; N58-R60 PolarHBondContact OD1-N 3.37Å; N58-R60 VanDerWaalsContact OD1-N 3.13Å
61	G	89.1	Confident	95.7	Very high	41 Å²	41	60.8 Å²	60.8	42%	0.423	32%	0.319	S	S	.	.			trans	85.4	-2.4	176.7	0	0	0	0	0	115.3	Q57 N58 P59	Q57-G61 PolarHBondContact NE2-O 2.82Å; N58-G61 PolarHBondContact O-N 3.09Å; N58-G61 PolarHBondContact OD1-N 3.18Å; N58-G61 VanDerWaalsContact OD1-N 3.14Å; P59-G61 VanDerWaalsContact C-N 3.26Å
62	S	93.2	Very high	95.7	Very high	64 Å²	64	61.8 Å²	61.8	45%	0.448	33%	0.333	S	S	.	.			trans	-73.4	130.1	177.9	-174.9	0	0	0	0	110.6	Q57 N58	Q57-S62 WeakPolarHBondContact CA-O 3.5Å; N58-S62 PolarHBondContact N-O 2.9Å; N58-S62 VanDerWaalsContact N-O 3.1Å; N58-S62 PolarHBondContact OD1-N 2.81Å
63	L	95.6	Very high	95.7	Very high	94 Å²	94	65.8 Å²	65.8	49%	0.492	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118.3	178.6	-166.7	71.7	0	0	0	110	F55 Q57 F106	F55-L63 HydrophobicContact CB-CD1 3.72Å; F55-L63 HydrophobicContact CB-CD2 4.47Å; F55-L63 HydrophobicContact CB-CG 4.02Å; F55-L63 HydrophobicContact CD1-CD2 4.1Å; F55-L63 HydrophobicContact CD1-CG 4.14Å; F55-L63 HydrophobicContact CG-CD1 4.46Å; F55-L63 HydrophobicContact CG-CD2 4.36Å; F55-L63 HydrophobicContact CG-CG 4.35Å; Q57-L63 HydrophobicContact CB-CD1 3.89Å; L63-F106 HydrophobicContact CD1-CD2 3.83Å; L63-F106 HydrophobicContact CD1-CE2 4.25Å
64	M	96.3	Very high	95.7	Very high	101 Å²	101	67.9 Å²	67.9	50%	0.498	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.5	179.4	-64	176.4	62.3	0	0	109.9	F55 L56 L66	F55-M64 CarbonylContact C-O 3.56Å; F55-M64 WeakPolarHBondContact CA-O 3.32Å; L56-M64 PolarHBondContact N-O 3.25Å; L56-M64 PolarHBondContact O-N 2.83Å; M64-L66 PolarHBondContact O-N 3.46Å
65	N	97	Very high	95.7	Very high	82 Å²	82	72.8 Å²	72.8	44%	0.439	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	125.1	169.4	-176.5	-96.1	0	0	0	109.6	F55 F67	F55-N65 HydrophobicContact CD1-CB 4.06Å; F55-N65 HydrophobicContact CE1-CB 4.06Å; F55-N65 WeakPolarHBondContact CE1-ND2 3.19Å; N65-F67 PolarHBondContact ND2-O 2.87Å
66	L	98.2	Very high	95.7	Very high	29 Å²	29	76.4 Å²	76.4	15%	0.152	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-47.2	176.5	-59.3	177.6	0	0	0	110.9	W54 L56 M64 L79 L92 Y105	W54-L66 HydrophobicContact CB-CB 4.25Å; W54-L66 HydrophobicContact CB-CD1 4.48Å; W54-L66 WeakPolarHBondContact O-CB 3.43Å; W54-L66 PolarHBondContact O-N 2.99Å; L56-L66 HydrophobicContact CB-CD1 4.04Å; L56-L66 HydrophobicContact CB-CD2 4.02Å; L56-L66 HydrophobicContact CB-CG 4.14Å; M64-L66 PolarHBondContact O-N 3.46Å; L66-L79 HydrophobicContact CD1-CD1 4.3Å; L66-L79 HydrophobicContact CD2-CD1 3.88Å; L66-L92 HydrophobicContact CD1-CD2 3.76Å; L66-Y105 HydrophobicContact CD1-CD1 3.85Å; L66-Y105 HydrophobicContact CD1-CE1 3.68Å
67	F	98.5	Very high	95.7	Very high	12 Å²	12	78.3 Å²	78.3	5%	0.053	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	149.8	-179.1	-66	-73.1	0	0	0	112.1	Q53 W54 N65 L69 K74 N76 L79 S81 L92	Q53-F67 VanDerWaalsContact CA-O 3.28Å; Q53-F67 WeakPolarHBondContact CA-O 3.37Å; W54-F67 PolarHBondContact N-O 3.31Å; W54-F67 VanDerWaalsContact N-O 3.09Å; W54-F67 PolarHBondContact O-N 2.92Å; N65-F67 PolarHBondContact ND2-O 2.87Å; F67-L69 HydrophobicContact CB-CD1 3.46Å; F67-L69 VanDerWaalsContact CB-CD1 3.46Å; F67-L69 HydrophobicContact CB-CG 4.12Å; F67-L69 HydrophobicContact CG-CD1 4.34Å; F67-K74 HydrophobicContact CD1-CB 3.79Å; F67-K74 HydrophobicContact CE1-CB 3.92Å; F67-N76 HydrophobicContact CE1-CB 4.01Å; F67-N76 HydrophobicContact CZ-CB 4.1Å; F67-L79 HydrophobicContact CE2-CB 3.85Å; F67-L79 HydrophobicContact CZ-CB 3.97Å; F67-L79 WeakPolarHBondContact CZ-O 3.31Å; F67-S81 VanDerWaalsContact CD2-CB 3.42Å; F67-L92 HydrophobicContact CD2-CD1 3.96Å; F67-L92 HydrophobicContact CE2-CD1 3.73Å
68	Y	98.3	Very high	95.7	Very high	113 Å²	113	77.5 Å²	77.5	44%	0.443	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115.9	160.7	-179.5	-87.9	0	0	0	107.5	T51 Q53 K74	T51-Y68 HydrophobicContact CG2-CE1 4.47Å; Q53-Y68 HydrophobicContact CG-CD2 3.54Å; Q53-Y68 HydrophobicContact CG-CE2 4.2Å; Q53-Y68 HydrophobicContact CG-CG 4.4Å; Y68-K74 WeakPolarHBondContact O-CE 3.4Å; Y68-K74 PolarHBondContact O-NZ 2.8Å
69	L	98.3	Very high	96.1	Very high	1 Å²	1	76.8 Å²	76.8	1%	0.005	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.9	-171.8	-60.5	108.5	0	0	0	111.4	T51 V52 F67 K74 S81 F83	T51-L69 CarbonylContact C-O 3.55Å; T51-L69 WeakPolarHBondContact CA-O 3.49Å; T51-L69 WeakPolarHBondContact CB-O 3.44Å; V52-L69 PolarHBondContact N-O 3.28Å; V52-L69 PolarHBondContact O-N 2.89Å; F67-L69 HydrophobicContact CB-CD1 3.46Å; F67-L69 VanDerWaalsContact CB-CD1 3.46Å; F67-L69 HydrophobicContact CB-CG 4.12Å; F67-L69 HydrophobicContact CG-CD1 4.34Å; L69-K74 HydrophobicContact CD2-CB 4.22Å; L69-K74 HydrophobicContact CD2-CG 4.38Å; L69-S81 WeakPolarHBondContact CD1-OG 2.94Å; L69-S81 WeakPolarHBondContact CD2-O 3.1Å; L69-F83 HydrophobicContact CB-CB 4.07Å; L69-F83 HydrophobicContact CB-CD1 4.45Å; L69-F83 HydrophobicContact CD2-CB 4.45Å
70	V	98	Very high	96.8	Very high	85 Å²	85	74.9 Å²	74.9	52%	0.515	40%	0.403	S	S	.	.	S	Bend	trans	-90	170.7	149.1	-63	0	0	0	0	108.2	T51 G72 F83	T51-V70 HydrophobicContact CG2-CG1 4.48Å; V70-G72 PolarHBondContact O-N 2.86Å; V70-F83 VanDerWaalsContact C-CD1 3.49Å
71	P	98.3	Very high	97.3	Very high	67 Å²	67	63.8 Å²	63.8	44%	0.435	36%	0.361	S	S	.	.	S	Bend	trans	-51.9	130.4	178.6	-28.6	37.4	0	0	0	111.6	F83 S85	P71-F83 WeakPolarHBondContact CA-O 3.43Å; P71-F83 HydrophobicContact CG-CD1 4.15Å; P71-F83 HydrophobicContact CG-CE1 3.83Å; P71-F83 HydrophobicContact CG-CZ 4.46Å; P71-S85 WeakPolarHBondContact CG-OG 3.49Å
72	G	98.3	Very high	97.7	Very high	36 Å²	36	63 Å²	63	37%	0.371	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	133.3	-156.2	-170.4	0	0	0	0	0	112.5	V70 A82 F83	V70-G72 PolarHBondContact O-N 2.86Å; G72-A82 CarbonylContact O-C 3.56Å; G72-A82 WeakPolarHBondContact O-CA 3.17Å; G72-F83 PolarHBondContact N-O 2.85Å; G72-F83 PolarHBondContact O-N 3.39Å
73	T	98.6	Very high	98	Very high	84 Å²	84	60.2 Å²	60.2	52%	0.515	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.6	-173.8	-62.2	0	0	0	0	110.6	K80 S81	T73-K80 HydrophobicContact CG2-CD 4.31Å; T73-K80 HydrophobicContact CG2-CG 4Å; T73-S81 CarbonylContact C-O 3.51Å; T73-S81 VanDerWaalsContact CA-O 3.3Å; T73-S81 WeakPolarHBondContact CA-O 3.26Å; T73-S81 WeakPolarHBondContact CG2-O 3.3Å
74	K	98.6	Very high	98.1	Very high	101 Å²	101	58.5 Å²	58.5	44%	0.439	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.8	170.6	-71.2	-172.7	175.7	-179.9	0	110	F67 Y68 L69 K80 S81	F67-K74 HydrophobicContact CD1-CB 3.79Å; F67-K74 HydrophobicContact CE1-CB 3.92Å; Y68-K74 WeakPolarHBondContact O-CE 3.4Å; Y68-K74 PolarHBondContact O-NZ 2.8Å; L69-K74 HydrophobicContact CD2-CB 4.22Å; L69-K74 HydrophobicContact CD2-CG 4.38Å; K74-K80 CarbonylContact O-C 3.59Å; K74-K80 WeakPolarHBondContact O-CA 2.89Å; K74-S81 PolarHBondContact N-O 3.47Å; K74-S81 PolarHBondContact O-N 2.87Å
75	E	98.4	Very high	98.1	Very high	103 Å²	103	55.8 Å²	55.8	48%	0.481	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	139.1	-179.6	-175.9	160.6	-174.8	0	0	109.6	L79 K80 R95	E75-L79 WeakPolarHBondContact CA-O 3.16Å; E75-K80 HydrophobicContact CB-CB 4.39Å; E75-K80 HydrophobicContact CB-CG 4.34Å; E75-K80 HydrophobicContact CG-CB 4.18Å; E75-R95 IonicContact OE1-CZ 3.44Å; E75-R95 IonicContact OE1-NE 3.29Å; E75-R95 IonicContact OE1-NH2 3.96Å; E75-R95 PolarHBondContact OE1-NH2 2.81Å
76	N	97.5	Very high	98.1	Very high	113 Å²	113	60.8 Å²	60.8	60%	0.604	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.5	106	175.6	-177.5	9.7	0	0	0	108.9	F67 R78 L79	F67-N76 HydrophobicContact CE1-CB 4.01Å; F67-N76 HydrophobicContact CZ-CB 4.1Å; N76-R78 PolarHBondContact O-N 2.82Å; N76-L79 PolarHBondContact N-O 3.07Å; N76-L79 PolarHBondContact O-N 2.89Å
77	G	97.2	Very high	98	Very high	57 Å²	57	65.6 Å²	65.6	59%	0.588	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	-116.9	-178.4	0	0	0	0	0	112	R95	G77-R95 PolarHBondContact O-NH2 3.47Å
78	R	97.5	Very high	97.9	Very high	51 Å²	51	66.7 Å²	66.7	19%	0.192	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-12.3	179.5	-68.2	-174.5	-61	96	0.5	113.6	N76 R95 D96 Q98 E100 D101	N76-R78 PolarHBondContact O-N 2.82Å; R78-R95 WeakPolarHBondContact CB-O 3.3Å; R78-R95 PolarHBondContact NH1-O 3.37Å; R78-R95 WeakPolarHBondContact O-CB 3.36Å; R78-R95 PolarHBondContact O-N 2.96Å; R78-D96 WeakPolarHBondContact CD-O 3.45Å; R78-D96 PolarHBondContact NH1-O 3.49Å; R78-D96 VanDerWaalsContact NH1-O 3.09Å; R78-Q98 VanDerWaalsContact CZ-CG 3.48Å; R78-E100 IonicContact CZ-OE1 2.86Å; R78-E100 IonicContact NH2-OE1 3.54Å; R78-E100 PolarHBondContact NH2-OE1 2.83Å; R78-D101 IonicContact CZ-OD1 3.66Å; R78-D101 IonicContact CZ-OD2 3.46Å; R78-D101 IonicContact NH1-OD1 2.7Å; R78-D101 PolarHBondContact NH1-OD1 2.92Å; R78-D101 IonicContact NH1-OD2 2.9Å; R78-D101 PolarHBondContact NH1-OD2 3.09Å; R78-D101 IonicContact NH2-OD1 2.67Å; R78-D101 PolarHBondContact NH2-OD1 2.93Å; R78-D101 IonicContact NH2-OD2 3.63Å; R78-D101 PolarHBondContact NH2-OD2 2.8Å
79	L	98.4	Very high	97.9	Very high	24 Å²	24	64 Å²	64	13%	0.126	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.2	-175.6	-56.1	-176.9	0	0	0	111	L66 F67 E75 N76 H93 I94	L66-L79 HydrophobicContact CD1-CD1 4.3Å; L66-L79 HydrophobicContact CD2-CD1 3.88Å; F67-L79 HydrophobicContact CE2-CB 3.85Å; F67-L79 HydrophobicContact CZ-CB 3.97Å; F67-L79 WeakPolarHBondContact CZ-O 3.31Å; E75-L79 WeakPolarHBondContact CA-O 3.16Å; N76-L79 PolarHBondContact N-O 3.07Å; N76-L79 PolarHBondContact O-N 2.89Å; L79-H93 WeakPolarHBondContact CA-O 3.32Å; L79-I94 HydrophobicContact CD2-CB 4.11Å; L79-I94 HydrophobicContact CD2-CG1 3.81Å; L79-I94 HydrophobicContact CD2-CG2 3.89Å
80	K	98.7	Very high	97.9	Very high	81 Å²	81	63.9 Å²	63.9	35%	0.352	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	129.9	175.1	178.1	178.7	-177.4	173.1	0	110	T73 K74 E75 H93	T73-K80 HydrophobicContact CG2-CD 4.31Å; T73-K80 HydrophobicContact CG2-CG 4Å; K74-K80 CarbonylContact O-C 3.59Å; K74-K80 WeakPolarHBondContact O-CA 2.89Å; E75-K80 HydrophobicContact CB-CB 4.39Å; E75-K80 HydrophobicContact CB-CG 4.34Å; E75-K80 HydrophobicContact CG-CB 4.18Å; K80-H93 HydrophobicContact CB-CB 4.32Å; K80-H93 PolarHBondContact N-O 3.18Å; K80-H93 PolarHBondContact O-N 3.02Å
81	S	98.8	Very high	98	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.8	176.4	-179.3	0	0	0	0	111.5	W54 F67 L69 T73 K74 T91	W54-S81 VanDerWaalsContact CD1-OG 3.23Å; W54-S81 PolarHBondContact NE1-OG 2.98Å; F67-S81 VanDerWaalsContact CD2-CB 3.42Å; L69-S81 WeakPolarHBondContact CD1-OG 2.94Å; L69-S81 WeakPolarHBondContact CD2-O 3.1Å; T73-S81 CarbonylContact C-O 3.51Å; T73-S81 VanDerWaalsContact CA-O 3.3Å; T73-S81 WeakPolarHBondContact CA-O 3.26Å; T73-S81 WeakPolarHBondContact CG2-O 3.3Å; K74-S81 PolarHBondContact N-O 3.47Å; K74-S81 PolarHBondContact O-N 2.87Å; S81-T91 CarbonylContact C-O 3.51Å; S81-T91 WeakPolarHBondContact CA-O 3.46Å; S81-T91 PolarHBondContact OG-O 3.34Å; S81-T91 VanDerWaalsContact OG-O 3.1Å
82	A	98.7	Very high	98	Very high	24 Å²	24	57.6 Å²	57.6	20%	0.198	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.6	173.2	0	0	0	0	0	109.8	G72 S90 T91	G72-A82 CarbonylContact O-C 3.56Å; G72-A82 WeakPolarHBondContact O-CA 3.17Å; A82-S90 CarbonylContact O-C 3.54Å; A82-S90 WeakPolarHBondContact O-CA 3.28Å; A82-S90 WeakPolarHBondContact O-CB 3.38Å; A82-S90 PolarHBondContact O-OG 2.98Å; A82-T91 PolarHBondContact N-O 2.95Å; A82-T91 PolarHBondContact O-N 3.1Å
83	F	98.7	Very high	98	Very high	7 Å²	7	59.7 Å²	59.7	3%	0.031	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	121.5	176.5	170.7	-144.8	0	0	0	109.6	F45 A49 T50 V52 L69 V70 P71 G72 Y89	F45-F83 HydrophobicContact CE2-CD2 4.37Å; F45-F83 HydrophobicContact CE2-CE2 4.16Å; A49-F83 HydrophobicContact CB-CE2 4.39Å; A49-F83 HydrophobicContact CB-CZ 3.97Å; A49-F83 WeakPolarHBondContact O-CZ 3.41Å; T50-F83 WeakPolarHBondContact O-CE1 3.48Å; V52-F83 HydrophobicContact CB-CD1 4.27Å; V52-F83 HydrophobicContact CB-CD2 4.39Å; V52-F83 HydrophobicContact CB-CG 4.15Å; V52-F83 HydrophobicContact CG2-CB 4.45Å; V52-F83 HydrophobicContact CG2-CD1 3.87Å; V52-F83 HydrophobicContact CG2-CD2 3.46Å; V52-F83 VanDerWaalsContact CG2-CD2 3.46Å; V52-F83 HydrophobicContact CG2-CE1 3.95Å; V52-F83 HydrophobicContact CG2-CE2 3.55Å; V52-F83 HydrophobicContact CG2-CG 3.66Å; V52-F83 HydrophobicContact CG2-CZ 3.81Å; L69-F83 HydrophobicContact CB-CB 4.07Å; L69-F83 HydrophobicContact CB-CD1 4.45Å; L69-F83 HydrophobicContact CD2-CB 4.45Å; V70-F83 VanDerWaalsContact C-CD1 3.49Å; P71-F83 WeakPolarHBondContact CA-O 3.43Å; P71-F83 HydrophobicContact CG-CD1 4.15Å; P71-F83 HydrophobicContact CG-CE1 3.83Å; P71-F83 HydrophobicContact CG-CZ 4.46Å; G72-F83 PolarHBondContact N-O 2.85Å; G72-F83 PolarHBondContact O-N 3.39Å; F83-Y89 WeakPolarHBondContact CD2-O 3.43Å
84	D	98.1	Very high	98	Very high	57 Å²	57	56 Å²	56	31%	0.305	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	108.4	172.6	-167.7	-39.2	0	0	0	109.1	K86 E87 S88 Y89	D84-K86 WeakPolarHBondContact OD1-CA 3.32Å; D84-K86 WeakPolarHBondContact OD1-CB 3.32Å; D84-K86 PolarHBondContact OD1-N 2.92Å; D84-E87 HydrophobicContact CB-CB 4.2Å; D84-E87 PolarHBondContact OD1-N 2.87Å; D84-S88 PolarHBondContact O-N 2.83Å; D84-S88 VanDerWaalsContact O-N 3.09Å; D84-Y89 HydrophobicContact CB-CD1 4.47Å; D84-Y89 HydrophobicContact CB-CE1 4.12Å; D84-Y89 PolarHBondContact N-O 2.8Å; D84-Y89 PolarHBondContact O-N 2.8Å; D84-Y89 VanDerWaalsContact O-N 3.1Å
85	S	96.9	Very high	98	Very high	45 Å²	45	55.9 Å²	55.9	32%	0.315	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-22.9	179.4	55.1	0	0	0	0	113.5	P71	P71-S85 WeakPolarHBondContact CG-OG 3.49Å
86	K	96.4	Very high	98	Very high	186 Å²	186	54.6 Å²	54.6	81%	0.809	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-45.3	178.6	-65.7	-178	179.5	179.7	0	109.9	D84 S88	D84-K86 WeakPolarHBondContact OD1-CA 3.32Å; D84-K86 WeakPolarHBondContact OD1-CB 3.32Å; D84-K86 PolarHBondContact OD1-N 2.92Å; K86-S88 PolarHBondContact O-N 2.73Å
87	E	96.8	Very high	98	Very high	130 Å²	130	49.6 Å²	49.6	61%	0.607	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	0.2	178.4	-61.1	-59.9	142.3	0	0	113.1	D84 Y89	D84-E87 HydrophobicContact CB-CB 4.2Å; D84-E87 PolarHBondContact OD1-N 2.87Å; E87-Y89 VanDerWaalsContact C-N 3.34Å; E87-Y89 HydrophobicContact CB-CD1 3.45Å; E87-Y89 VanDerWaalsContact CB-CD1 3.45Å; E87-Y89 HydrophobicContact CB-CE1 3.37Å; E87-Y89 HydrophobicContact CG-CE1 4.1Å; E87-Y89 PolarHBondContact O-N 2.95Å
88	S	96.3	Very high	97.9	Very high	35 Å²	35	49.6 Å²	49.6	25%	0.245	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	46.4	176.9	-58.6	0	0	0	0	113.4	F45 D84 K86	F45-S88 VanDerWaalsContact CD2-O 3.28Å; F45-S88 WeakPolarHBondContact CD2-O 3.39Å; F45-S88 PolarHBondContact N-O 3.42Å; F45-S88 WeakPolarHBondContact O-CB 3.28Å; D84-S88 PolarHBondContact O-N 2.83Å; D84-S88 VanDerWaalsContact O-N 3.09Å; K86-S88 PolarHBondContact O-N 2.73Å
89	Y	98	Very high	97.8	Very high	56 Å²	56	53 Å²	53	22%	0.22	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	156.6	173.3	77.5	-95.2	0	0	0	113.6	R42 C43 N44 F83 D84 E87 T91	R42-Y89 HydrophobicContact CG-CD2 4.48Å; C43-Y89 CarbonylContact O-C 3.53Å; C43-Y89 WeakPolarHBondContact O-CA 3.41Å; C43-Y89 WeakPolarHBondContact O-CB 3.35Å; N44-Y89 WeakPolarHBondContact OD1-CB 3.25Å; F83-Y89 WeakPolarHBondContact CD2-O 3.43Å; D84-Y89 HydrophobicContact CB-CD1 4.47Å; D84-Y89 HydrophobicContact CB-CE1 4.12Å; D84-Y89 PolarHBondContact N-O 2.8Å; D84-Y89 PolarHBondContact O-N 2.8Å; D84-Y89 VanDerWaalsContact O-N 3.1Å; E87-Y89 VanDerWaalsContact C-N 3.34Å; E87-Y89 HydrophobicContact CB-CD1 3.45Å; E87-Y89 VanDerWaalsContact CB-CD1 3.45Å; E87-Y89 HydrophobicContact CB-CE1 3.37Å; E87-Y89 HydrophobicContact CG-CE1 4.1Å; E87-Y89 PolarHBondContact O-N 2.95Å; Y89-T91 HydrophobicContact CD2-CG2 3.94Å; Y89-T91 HydrophobicContact CE2-CG2 3.87Å
90	S	98.6	Very high	97.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154.3	165.2	-176.7	0	0	0	0	110.9	R42 C43 W54 A82	R42-S90 WeakPolarHBondContact CA-O 3.36Å; C43-S90 PolarHBondContact N-O 2.02Å; C43-S90 PolarHBondContact O-N 2.97Å; W54-S90 PolarHBondContact NE1-OG 2.95Å; A82-S90 CarbonylContact O-C 3.54Å; A82-S90 WeakPolarHBondContact O-CA 3.28Å; A82-S90 WeakPolarHBondContact O-CB 3.38Å; A82-S90 PolarHBondContact O-OG 2.98Å
91	T	98.7	Very high	97.3	Very high	19 Å²	19	55.6 Å²	55.6	12%	0.117	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.8	173.9	54.6	0	0	0	0	110.1	L41 R42 S81 A82 Y89 H93	L41-T91 CarbonylContact O-C 3.55Å; L41-T91 WeakPolarHBondContact O-CA 3.14Å; R42-T91 HydrophobicContact CB-CG2 4.26Å; R42-T91 HydrophobicContact CG-CG2 4.14Å; S81-T91 CarbonylContact C-O 3.51Å; S81-T91 WeakPolarHBondContact CA-O 3.46Å; S81-T91 PolarHBondContact OG-O 3.34Å; S81-T91 VanDerWaalsContact OG-O 3.1Å; A82-T91 PolarHBondContact N-O 2.95Å; A82-T91 PolarHBondContact O-N 3.1Å; Y89-T91 HydrophobicContact CD2-CG2 3.94Å; Y89-T91 HydrophobicContact CE2-CG2 3.87Å; T91-H93 PolarHBondContact OG1-CE1 2.83Å
92	L	98.8	Very high	97.1	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	111.9	170.3	173.8	64.5	0	0	0	108.4	A40 L41 W54 L66 F67 Y105	A40-L92 CarbonylContact C-O 3.47Å; A40-L92 VanDerWaalsContact CA-O 3.26Å; A40-L92 WeakPolarHBondContact CA-O 3.41Å; L41-L92 HydrophobicContact CB-CB 4.38Å; L41-L92 HydrophobicContact CD1-CD2 4.37Å; L41-L92 PolarHBondContact N-O 2.99Å; L41-L92 PolarHBondContact O-N 2.85Å; W54-L92 HydrophobicContact CB-CD2 4.37Å; W54-L92 HydrophobicContact CD2-CB 3.68Å; W54-L92 HydrophobicContact CD2-CD2 3.97Å; W54-L92 HydrophobicContact CD2-CG 4.38Å; W54-L92 HydrophobicContact CE3-CB 3.92Å; W54-L92 HydrophobicContact CE3-CD2 3.71Å; W54-L92 HydrophobicContact CE3-CG 4.46Å; W54-L92 HydrophobicContact CG-CB 4.19Å; W54-L92 HydrophobicContact CG-CD2 4.27Å; W54-L92 HydrophobicContact CH2-CB 4.06Å; W54-L92 HydrophobicContact CZ2-CB 3.84Å; W54-L92 HydrophobicContact CZ3-CB 4.1Å; W54-L92 HydrophobicContact CZ3-CD2 4.27Å; L66-L92 HydrophobicContact CD1-CD2 3.76Å; F67-L92 HydrophobicContact CD2-CD1 3.96Å; F67-L92 HydrophobicContact CE2-CD1 3.73Å; L92-Y105 HydrophobicContact CD2-CD1 3.42Å; L92-Y105 VanDerWaalsContact CD2-CD1 3.42Å; L92-Y105 HydrophobicContact CD2-CE1 3.67Å; L92-Y105 HydrophobicContact CD2-CG 4.44Å
93	H	98.6	Very high	97	Very high	80 Å²	80	59.6 Å²	59.6	37%	0.37	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	133.5	175.4	-66.3	76.6	0	0	0	109.9	S39 L79 K80 T91	S39-H93 WeakPolarHBondContact O-CA 3.43Å; L79-H93 WeakPolarHBondContact CA-O 3.32Å; K80-H93 HydrophobicContact CB-CB 4.32Å; K80-H93 PolarHBondContact N-O 3.18Å; K80-H93 PolarHBondContact O-N 3.02Å; T91-H93 PolarHBondContact OG1-CE1 2.83Å
94	I	98.3	Very high	96.9	Very high	6 Å²	6	62.9 Å²	62.9	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.2	176.4	-52.7	169.9	0	0	0	106	N38 S39 L79 Y105	N38-I94 WeakPolarHBondContact CA-O 3.37Å; S39-I94 PolarHBondContact N-O 3.21Å; S39-I94 PolarHBondContact O-N 3.39Å; L79-I94 HydrophobicContact CD2-CB 4.11Å; L79-I94 HydrophobicContact CD2-CG1 3.81Å; L79-I94 HydrophobicContact CD2-CG2 3.89Å; I94-Y105 HydrophobicContact CD1-CE1 4.09Å; I94-Y105 HydrophobicContact CD1-CE2 4.11Å; I94-Y105 WeakPolarHBondContact CD1-OH 3.21Å
95	R	98.3	Very high	96.9	Very high	100 Å²	100	61.4 Å²	61.4	38%	0.377	32%	0.317	S	S	.	.			trans	-94.4	149.3	174.7	-62.6	-171.9	-73.1	106.1	-4	110	N38 E75 G77 R78 A97	N38-R95 VanDerWaalsContact OD1-CA 3.22Å; N38-R95 WeakPolarHBondContact OD1-CA 3.45Å; E75-R95 IonicContact OE1-CZ 3.44Å; E75-R95 IonicContact OE1-NE 3.29Å; E75-R95 IonicContact OE1-NH2 3.96Å; E75-R95 PolarHBondContact OE1-NH2 2.81Å; G77-R95 PolarHBondContact O-NH2 3.47Å; R78-R95 WeakPolarHBondContact CB-O 3.3Å; R78-R95 PolarHBondContact NH1-O 3.37Å; R78-R95 WeakPolarHBondContact O-CB 3.36Å; R78-R95 PolarHBondContact O-N 2.96Å; R95-A97 PolarHBondContact O-N 2.85Å
96	D	97.9	Very high	96.9	Very high	76 Å²	76	63.3 Å²	63.3	41%	0.406	32%	0.32	S	S	.	.	S	Bend	trans	48.8	59.7	172.3	179.6	36.4	0	0	0	111.2	G36 N38 R78 Q98	G36-D96 WeakPolarHBondContact CA-OD1 3.4Å; N38-D96 PolarHBondContact OD1-N 3.09Å; R78-D96 WeakPolarHBondContact CD-O 3.45Å; R78-D96 PolarHBondContact NH1-O 3.49Å; R78-D96 VanDerWaalsContact NH1-O 3.09Å; D96-Q98 WeakPolarHBondContact O-CG 3.46Å; D96-Q98 PolarHBondContact O-N 2.67Å; D96-Q98 PolarHBondContact O-NE2 2.89Å; D96-Q98 VanDerWaalsContact O-NE2 3.1Å; D96-Q98 PolarHBondContact OD1-NE2 3.33Å
97	A	97.6	Very high	96.9	Very high	7 Å²	7	55 Å²	55	6%	0.058	29%	0.286	C	S	.	.			trans	-53.8	136.6	-171.8	0	0	0	0	0	111.8	L33 E35 G36 T37 R95 D101	L33-A97 HydrophobicContact CD1-CB 4.23Å; E35-A97 CarbonylContact C-O 3.49Å; E35-A97 WeakPolarHBondContact CA-O 3.41Å; G36-A97 PolarHBondContact N-O 3.29Å; T37-A97 VanDerWaalsContact O-CB 3.27Å; T37-A97 WeakPolarHBondContact O-CB 3.2Å; T37-A97 PolarHBondContact O-N 3.45Å; R95-A97 PolarHBondContact O-N 2.85Å; A97-D101 WeakPolarHBondContact CA-OD2 3.48Å
98	Q	96.6	Very high	96.9	Very high	58 Å²	58	50.8 Å²	50.8	27%	0.271	27%	0.273	S	S	.	.			trans	-121.8	160.9	-179.6	-60.3	-60.6	-51.9	0	0	110	R78 D96 E100 D101	R78-Q98 VanDerWaalsContact CZ-CG 3.48Å; D96-Q98 WeakPolarHBondContact O-CG 3.46Å; D96-Q98 PolarHBondContact O-N 2.67Å; D96-Q98 PolarHBondContact O-NE2 2.89Å; D96-Q98 VanDerWaalsContact O-NE2 3.1Å; D96-Q98 PolarHBondContact OD1-NE2 3.33Å; Q98-E100 HydrophobicContact CB-CG 3.83Å; Q98-E100 PolarHBondContact O-N 3.1Å; Q98-E100 VanDerWaalsContact O-N 3.16Å; Q98-D101 PolarHBondContact N-OD2 2.78Å; Q98-D101 WeakPolarHBondContact O-CB 3.42Å; Q98-D101 PolarHBondContact O-N 2.73Å
99	L	94.2	Very high	96.9	Very high	121 Å²	121	50.1 Å²	50.1	63%	0.634	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-56	-34.1	177.1	-68.9	175.6	0	0	0	113	E35 D101 S102	E35-L99 HydrophobicContact CG-CD2 4.44Å; E35-L99 HydrophobicContact CG-CG 4.37Å; E35-L99 WeakPolarHBondContact OE1-CG 3.44Å; L99-D101 PolarHBondContact O-N 2.84Å; L99-S102 WeakPolarHBondContact O-CB 3.49Å; L99-S102 PolarHBondContact O-N 2.86Å; L99-S102 VanDerWaalsContact O-N 3.13Å; L99-S102 PolarHBondContact O-OG 3.44Å
100	E	93	Very high	96.6	Very high	140 Å²	140	55 Å²	55	65%	0.654	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-65.7	-19.6	177.8	70.1	-158.8	-166.6	0	0	114.5	R78 Q98 S102	R78-E100 IonicContact CZ-OE1 2.86Å; R78-E100 IonicContact NH2-OE1 3.54Å; R78-E100 PolarHBondContact NH2-OE1 2.83Å; Q98-E100 HydrophobicContact CB-CG 3.83Å; Q98-E100 PolarHBondContact O-N 3.1Å; Q98-E100 VanDerWaalsContact O-N 3.16Å; E100-S102 PolarHBondContact O-N 3.28Å
101	D	94.8	Very high	96.5	Very high	20 Å²	20	57.8 Å²	57.8	11%	0.107	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-77	-8.1	175.3	-58.1	-36.7	0	0	0	111.7	R78 A97 Q98 L99 G103 Y105	R78-D101 IonicContact CZ-OD1 3.66Å; R78-D101 IonicContact CZ-OD2 3.46Å; R78-D101 IonicContact NH1-OD1 2.7Å; R78-D101 PolarHBondContact NH1-OD1 2.92Å; R78-D101 IonicContact NH1-OD2 2.9Å; R78-D101 PolarHBondContact NH1-OD2 3.09Å; R78-D101 IonicContact NH2-OD1 2.67Å; R78-D101 PolarHBondContact NH2-OD1 2.93Å; R78-D101 IonicContact NH2-OD2 3.63Å; R78-D101 PolarHBondContact NH2-OD2 2.8Å; A97-D101 WeakPolarHBondContact CA-OD2 3.48Å; Q98-D101 PolarHBondContact N-OD2 2.78Å; Q98-D101 WeakPolarHBondContact O-CB 3.42Å; Q98-D101 PolarHBondContact O-N 2.73Å; L99-D101 PolarHBondContact O-N 2.84Å; D101-G103 PolarHBondContact O-N 2.95Å; D101-Y105 WeakPolarHBondContact O-CE2 3.44Å; D101-Y105 PolarHBondContact O-OH 3.08Å
102	S	94.6	Very high	96.3	Very high	73 Å²	73	59.8 Å²	59.8	51%	0.51	32%	0.319	S	S	.	.			trans	-66.7	117.5	178.4	-58.2	0	0	0	0	110.9	L99 E100	L99-S102 WeakPolarHBondContact O-CB 3.49Å; L99-S102 PolarHBondContact O-N 2.86Å; L99-S102 VanDerWaalsContact O-N 3.13Å; L99-S102 PolarHBondContact O-OG 3.44Å; E100-S102 PolarHBondContact O-N 3.28Å
103	G	95.7	Very high	96.2	Very high	36 Å²	36	63.2 Å²	63.2	37%	0.371	34%	0.337	S	S	.	.	S	Bend	trans	172.8	-172.5	176.1	0	0	0	0	0	112.5	Q57 D101	Q57-G103 WeakPolarHBondContact O-CA 3.39Å; D101-G103 PolarHBondContact O-N 2.95Å
104	T	97	Very high	96.1	Very high	75 Å²	75	62.2 Å²	62.2	46%	0.46	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.4	178.4	-53.5	0	0	0	0	109.4	Q57 F106	Q57-T104 PolarHBondContact N-O 3.09Å; Q57-T104 PolarHBondContact O-N 2.88Å; T104-F106 HydrophobicContact CG2-CD2 4.32Å; T104-F106 HydrophobicContact CG2-CE1 3.97Å; T104-F106 HydrophobicContact CG2-CE2 3.6Å; T104-F106 HydrophobicContact CG2-CZ 3.41Å; T104-F106 VanDerWaalsContact CG2-CZ 3.41Å
105	Y	97.5	Very high	95.9	Very high	26 Å²	26	65.7 Å²	65.7	10%	0.102	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.4	178	-70.9	-96.8	0	0	0	110.9	Q26 L41 F55 L56 L66 L92 I94 D101	Q26-Y105 PolarHBondContact NE2-O 2.7Å; L41-Y105 HydrophobicContact CD1-CD1 3.97Å; L41-Y105 HydrophobicContact CD1-CD2 3.82Å; L41-Y105 HydrophobicContact CD1-CG 3.44Å; L41-Y105 VanDerWaalsContact CD1-CG 3.44Å; F55-Y105 VanDerWaalsContact O-CA 3.32Å; F55-Y105 WeakPolarHBondContact O-CA 3.5Å; L56-Y105 HydrophobicContact CB-CD1 4.44Å; L56-Y105 HydrophobicContact CB-CE1 4.28Å; L56-Y105 HydrophobicContact CD1-CD1 4.25Å; L56-Y105 HydrophobicContact CD1-CD2 4.05Å; L56-Y105 HydrophobicContact CD1-CE1 3.99Å; L56-Y105 HydrophobicContact CD1-CE2 3.75Å; L56-Y105 HydrophobicContact CD1-CG 4.3Å; L66-Y105 HydrophobicContact CD1-CD1 3.85Å; L66-Y105 HydrophobicContact CD1-CE1 3.68Å; L92-Y105 HydrophobicContact CD2-CD1 3.42Å; L92-Y105 VanDerWaalsContact CD2-CD1 3.42Å; L92-Y105 HydrophobicContact CD2-CE1 3.67Å; L92-Y105 HydrophobicContact CD2-CG 4.44Å; I94-Y105 HydrophobicContact CD1-CE1 4.09Å; I94-Y105 HydrophobicContact CD1-CE2 4.11Å; I94-Y105 WeakPolarHBondContact CD1-OH 3.21Å; D101-Y105 WeakPolarHBondContact O-CE2 3.44Å; D101-Y105 PolarHBondContact O-OH 3.08Å
106	F	97	Very high	95.8	Very high	85 Å²	85	63.4 Å²	63.4	37%	0.373	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.3	176.6	-60.1	-83	0	0	0	110.7	W54 F55 Q57 L63 T104	W54-F106 CarbonylContact C-O 3.5Å; W54-F106 WeakPolarHBondContact CA-O 3.48Å; F55-F106 HydrophobicContact CB-CB 4.31Å; F55-F106 PolarHBondContact N-O 3.25Å; F55-F106 PolarHBondContact O-N 2.94Å; Q57-F106 HydrophobicContact CB-CD2 4.29Å; Q57-F106 HydrophobicContact CB-CE2 3.7Å; L63-F106 HydrophobicContact CD1-CD2 3.83Å; L63-F106 HydrophobicContact CD1-CE2 4.25Å; T104-F106 HydrophobicContact CG2-CD2 4.32Å; T104-F106 HydrophobicContact CG2-CE1 3.97Å; T104-F106 HydrophobicContact CG2-CE2 3.6Å; T104-F106 HydrophobicContact CG2-CZ 3.41Å; T104-F106 VanDerWaalsContact CG2-CZ 3.41Å
107	C	97.3	Very high	95.6	Very high	13 Å²	13	62.5 Å²	62.5	9%	0.088	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134	173.8	168.6	0	0	0	0	109.5	Q26 C43 F45 Q53 W54	Q26-C107 HydrophobicContact CG-CB 4.17Å; C43-C107 HydrophobicContact CB-CB 3.6Å; C43-C107 WeakPolarHBondContact CB-SG 3.49Å; C43-C107 WeakPolarHBondContact SG-CB 3.22Å; C43-C107 CovalentContact SG-SG 2.02Å; C43-C107 PolarHBondContact SG-SG 3.1Å; F45-C107 VanDerWaalsContact CE1-SG 3.53Å; Q53-C107 WeakPolarHBondContact O-CA 3.2Å; W54-C107 HydrophobicContact CD2-CB 4.12Å; W54-C107 HydrophobicContact CE3-CB 3.88Å; W54-C107 HydrophobicContact CH2-CB 3.94Å; W54-C107 HydrophobicContact CZ2-CB 4.15Å; W54-C107 HydrophobicContact CZ3-CB 3.79Å
108	A	96.1	Very high	95.5	Very high	40 Å²	40	66.8 Å²	66.8	33%	0.331	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.3	174.4	0	0	0	0	0	109.4	V52 Q53 F55	V52-A108 CarbonylContact C-O 3.58Å; V52-A108 WeakPolarHBondContact CA-O 3.5Å; Q53-A108 PolarHBondContact N-O 2.87Å; Q53-A108 PolarHBondContact O-N 2.72Å; F55-A108 HydrophobicContact CE2-CB 4.21Å
109	A	95.4	Very high	95.4	Very high	21 Å²	21	67.5 Å²	67.5	17%	0.174	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.7	176.7	0	0	0	0	0	110.9	F45 A49 T51 V52	F45-A109 HydrophobicContact CD1-CB 3.28Å; F45-A109 HydrophobicContact CD2-CB 4.08Å; F45-A109 HydrophobicContact CE1-CB 3.18Å; F45-A109 HydrophobicContact CE2-CB 4.05Å; F45-A109 HydrophobicContact CG-CB 3.73Å; F45-A109 HydrophobicContact CZ-CB 3.63Å; A49-A109 HydrophobicContact CB-CB 3.77Å; T51-A109 WeakPolarHBondContact O-CA 3.34Å; V52-A109 HydrophobicContact CG2-CB 4.1Å
110	E	92	Very high	95.5	Very high	160 Å²	160	62.6 Å²	62.6	75%	0.748	36%	0.356	S	S	*	.			trans	-136.6	0	-177	-173.3	173.2	-164.6	0	0	111	A49 T50 T51	A49-E110 CarbonylContact C-O 3.6Å; T50-E110 WeakPolarHBondContact CA-O 3.41Å; T50-E110 PolarHBondContact N-O 2.96Å; T50-E110 PolarHBondContact OG1-O 3.01Å; T51-E110 PolarHBondContact N-O 3.38Å; T51-E110 PolarHBondContact O-N 3.29Å; T51-E110 VanDerWaalsContact O-N 3.09Å

Retrieved 110 of 110 residues in 141.3 ms (Link to these results)

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