A0A096NPG1_PAPAN Loading...

Immunoglobulin kappa variable 1-27

AlphaFold DB , UniProt , Accession A0A096NPG1, Species PAPAN (Papio anubis, Olive baboon), Gene IGKV1-27, Length 125 aa.

						>A0A096NPG1_PAPAN|A0A096NPG1|IGKV1-27
MGMRASAQLLGLLLLWLPDTRCAIQMTQSPSSLSASVGDRVTITCRASQSIGSNLAWYQQKPGKVPKLLIYAASTLQSEVPSRFSGSGSGTDFTLTISSLQPEDVATYYCQKCDSAPPTVIQART
					

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	35.5	Very low	46.5	Very low	243 Å²	243	139.1 Å²	139.1	100%	1.197	80%	0.801	S	S	*	*				0	120.7	0	-95.1	81.8	123.7	0	0	109.1
2	G	40.1	Very low	47.3	Very low	79 Å²	79	136.8 Å²	136.8	81%	0.814	78%	0.783	S	S	*	*			trans	-75.1	135.8	176.9	0	0	0	0	0	111.6
3	M	32.3	Very low	48.1	Very low	196 Å²	196	137.6 Å²	137.6	97%	0.966	78%	0.782	S	S	*	*			trans	-105	87.8	160.1	-76.8	178.3	147.8	0	0	107.3	A5	M3-A5 PolarHBondContact O-N 3.26Å
4	R	42.1	Very low	48.7	Very low	246 Å²	246	137 Å²	137	93%	0.928	77%	0.774	S	S	*	*			trans	-78.4	104.3	158.9	-77.6	-176.4	175.2	-152	-0.7	106.3	S6	R4-S6 PolarHBondContact O-N 2.98Å
5	A	45.3	Very low	49.3	Very low	99 Å²	99	137 Å²	137	82%	0.818	77%	0.77	S	S	*	*			trans	-66	115.1	166.2	0	0	0	0	0	107.7	M3 A7	M3-A5 PolarHBondContact O-N 3.26Å; A5-A7 PolarHBondContact O-N 3.1Å; A5-A7 VanDerWaalsContact O-N 3.14Å
6	S	48.5	Very low	49.8	Very low	79 Å²	79	141.8 Å²	141.8	55%	0.552	77%	0.773	S	S	*	*			trans	-66.1	109.9	-179.2	-168.4	0	0	0	0	109.5	R4 Q8	R4-S6 PolarHBondContact O-N 2.98Å; S6-Q8 PolarHBondContact O-N 3.26Å
7	A	51.5	Low	50.4	Low	94 Å²	94	141.3 Å²	141.3	78%	0.777	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	17.4	175.3	0	0	0	0	0	113.5	A5	A5-A7 PolarHBondContact O-N 3.1Å; A5-A7 VanDerWaalsContact O-N 3.14Å
8	Q	54.9	Low	51.1	Low	153 Å²	153	138.8 Å²	138.8	72%	0.715	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-6	-171.3	-62.3	-152.5	-49.1	0	0	114.9	S6	S6-Q8 PolarHBondContact O-N 3.26Å
9	L	51.8	Low	51.3	Low	143 Å²	143	139.3 Å²	139.3	75%	0.749	76%	0.762	S	S	*	*	S	Bend	trans	-85.2	-20.8	177.2	-91.4	109.8	0	0	0	114.6
10	L	53.1	Low	51.6	Low	148 Å²	148	137.5 Å²	137.5	78%	0.775	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-25.5	179.1	-96.2	123.2	0	0	0	113.5
11	G	56	Low	52	Low	50 Å²	50	140.4 Å²	140.4	52%	0.515	76%	0.756	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.7	-26.4	-179.8	0	0	0	0	0	114.4
12	L	56.4	Low	53.3	Low	112 Å²	112	134.4 Å²	134.4	59%	0.586	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-22.7	-177.8	-83.1	143.1	0	0	0	113.4	L14	L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 2.82Å
13	L	57.1	Low	55.2	Low	147 Å²	147	134.3 Å²	134.3	77%	0.77	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-17	-178.6	-146	78.5	0	0	0	113.3
14	L	57	Low	57.9	Low	129 Å²	129	127.1 Å²	127.1	68%	0.675	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-13	-179	-64.9	172.2	0	0	0	113.7	L12 W16	L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 2.82Å; L14-W16 VanDerWaalsContact C-N 3.28Å; L14-W16 PolarHBondContact O-N 2.74Å
15	L	57.5	Low	60.3	Low	137 Å²	137	121 Å²	121	72%	0.717	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-2	-178.6	-72.4	159.8	0	0	0	113.5
16	W	57.6	Low	62.7	Low	213 Å²	213	118.8 Å²	118.8	81%	0.807	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.3	18.8	-175.4	-66.1	63	0	0	0	112.4	L14 P18	L14-W16 VanDerWaalsContact C-N 3.28Å; L14-W16 PolarHBondContact O-N 2.74Å; W16-P18 WeakPolarHBondContact O-CD 3.3Å
17	L	59.8	Low	65.1	Low	134 Å²	134	118.2 Å²	118.2	70%	0.702	64%	0.641	S	S	*	*			trans	-75.6	105.2	163	-64.8	172.9	0	0	0	105.7	D19	L17-D19 PolarHBondContact O-N 3.47Å
18	P	62.7	Low	67.3	Low	97 Å²	97	117 Å²	117	63%	0.63	62%	0.619	S	S	*	*			trans	-51.7	136.7	164.3	22.4	-30.9	0	0	0	106.9	W16 T20	W16-P18 WeakPolarHBondContact O-CD 3.3Å; P18-T20 HydrophobicContact CB-CG2 4.5Å; P18-T20 HydrophobicContact CG-CG2 4.08Å; P18-T20 WeakPolarHBondContact O-CG2 3.49Å; P18-T20 PolarHBondContact O-N 3.18Å
19	D	55.9	Low	69.3	Low	148 Å²	148	112.8 Å²	112.8	79%	0.791	61%	0.607	S	S	*	*			trans	-59.6	84.6	171.7	-117.6	-49.6	0	0	0	107.6	L17 R21	L17-D19 PolarHBondContact O-N 3.47Å; D19-R21 PolarHBondContact O-N 3.28Å
20	T	57.7	Low	71.6	Confident	102 Å²	102	108.5 Å²	108.5	63%	0.626	59%	0.587	S	S	*	*			trans	-78.4	80.4	180	54.6	0	0	0	0	107.1	P18 C22	P18-T20 HydrophobicContact CB-CG2 4.5Å; P18-T20 HydrophobicContact CG-CG2 4.08Å; P18-T20 WeakPolarHBondContact O-CG2 3.49Å; P18-T20 PolarHBondContact O-N 3.18Å; T20-C22 PolarHBondContact O-N 2.74Å
21	R	58.7	Low	73.6	Confident	200 Å²	200	107.4 Å²	107.4	76%	0.755	59%	0.593	S	S	*	*			trans	-73.1	77.4	161.9	-64.3	-160.6	-177.8	-129.7	0.7	108	D19 A23	D19-R21 PolarHBondContact O-N 3.28Å; R21-A23 PolarHBondContact O-N 3.18Å
22	C	63.9	Low	75.5	Confident	117 Å²	117	109.7 Å²	109.7	79%	0.791	60%	0.6	S	S	*	*			trans	-71.8	-3.9	176.9	-72.6	0	0	0	0	113.4	T20	T20-C22 PolarHBondContact O-N 2.74Å
23	A	79.8	Confident	77.5	Confident	77 Å²	77	108.3 Å²	108.3	64%	0.636	59%	0.593	S	S	*	*	S	Bend	trans	-92.7	130.9	178	0	0	0	0	0	111.2	R21 Q25	R21-A23 PolarHBondContact O-N 3.18Å; A23-Q25 PolarHBondContact O-N 3.17Å
24	I	88.4	Confident	79.4	Confident	45 Å²	45	107.4 Å²	107.4	23%	0.231	60%	0.599	C	S	.	*	P	Polyproline II helix	trans	-72.7	119.9	170.7	-67.7	166.7	0	0	0	108.1	M26 A47 Q49 I51 K112	I24-M26 HydrophobicContact CG2-SD 3.95Å; I24-A47 HydrophobicContact CG2-CB 4.01Å; I24-Q49 HydrophobicContact CD1-CB 4.5Å; I24-Q49 HydrophobicContact CG1-CB 4.24Å; I24-I51 HydrophobicContact CD1-CG2 3.89Å; I24-I51 HydrophobicContact CG2-CG2 4.08Å; I24-K112 HydrophobicContact CB-CD 4.09Å; I24-K112 HydrophobicContact CD1-CD 3.63Å; I24-K112 HydrophobicContact CG1-CD 4.43Å; I24-K112 HydrophobicContact CG2-CD 4.27Å
25	Q	92.9	Very high	81.3	Confident	118 Å²	118	103 Å²	103	55%	0.551	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-84.9	133.7	178.1	-176.6	177.7	-8.2	0	0	109.6	A23 T27 A47 S48	A23-Q25 PolarHBondContact O-N 3.17Å; Q25-T27 HydrophobicContact CG-CG2 4.32Å; Q25-A47 CarbonylContact O-C 3.6Å; Q25-A47 WeakPolarHBondContact O-CA 2.96Å; Q25-S48 PolarHBondContact N-OG 3.12Å; Q25-S48 PolarHBondContact O-N 2.92Å
26	M	95.6	Very high	83.3	Confident	51 Å²	51	100.2 Å²	100.2	25%	0.251	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.3	128.9	174.3	-50.8	-58.5	-67.7	0	0	108.9	I24 C45 R46 A47 I51 L55 K112	I24-M26 HydrophobicContact CG2-SD 3.95Å; M26-C45 WeakPolarHBondContact CE-SG 3.37Å; M26-R46 CarbonylContact C-O 3.59Å; M26-R46 WeakPolarHBondContact CA-O 3.26Å; M26-A47 HydrophobicContact CE-CB 4.03Å; M26-A47 HydrophobicContact SD-CB 3.79Å; M26-I51 HydrophobicContact CE-CD1 4.02Å; M26-L55 HydrophobicContact CE-CD1 3.84Å; M26-K112 HydrophobicContact CE-CB 4.4Å; M26-K112 HydrophobicContact SD-CB 3.98Å
27	T	97.8	Very high	85.2	Confident	67 Å²	67	94.5 Å²	94.5	41%	0.411	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.3	133.4	175.6	55.1	0	0	0	0	110.2	Q25 C45 R46	Q25-T27 HydrophobicContact CG-CG2 4.32Å; T27-C45 CarbonylContact O-C 3.58Å; T27-C45 VanDerWaalsContact O-CA 3.3Å; T27-C45 WeakPolarHBondContact O-CA 3.38Å; T27-R46 PolarHBondContact N-O 2.86Å; T27-R46 PolarHBondContact O-N 3.07Å; T27-R46 PolarHBondContact OG1-O 2.6Å
28	Q	98.4	Very high	87.1	Confident	68 Å²	68	89.9 Å²	89.9	32%	0.318	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	148.8	-178.8	-74.2	-179	-114.9	0	0	111.6	T44 C45 Y108 C110	Q28-T44 VanDerWaalsContact CA-O 3.25Å; Q28-T44 WeakPolarHBondContact CA-O 3.47Å; Q28-C45 HydrophobicContact CG-CB 4.1Å; Q28-Y108 PolarHBondContact NE2-O 2.88Å; Q28-C110 VanDerWaalsContact CD-SG 3.56Å; Q28-C110 HydrophobicContact CG-CB 4.47Å; Q28-C110 WeakPolarHBondContact CG-SG 3.31Å
29	S	98.1	Very high	88.8	Confident	65 Å²	65	88.7 Å²	88.7	46%	0.455	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	144.6	174.1	179.9	0	0	0	0	111.4	T44	S29-T44 PolarHBondContact N-O 3.07Å; S29-T44 PolarHBondContact O-N 2.99Å; S29-T44 PolarHBondContact O-OG1 2.85Å
30	P	98.4	Very high	90.8	Very high	53 Å²	53	89.8 Å²	89.8	34%	0.344	53%	0.528	S	S	.	.			cis	-73	164.2	-11.5	33.3	-35.4	0	0	0	111.5	S32 L33	P30-S32 VanDerWaalsContact C-N 3.3Å; P30-L33 HydrophobicContact CG-CB 3.89Å; P30-L33 HydrophobicContact CG-CD2 3.74Å; P30-L33 HydrophobicContact CG-CG 4.44Å
31	S	96	Very high	92.8	Very high	126 Å²	126	85.4 Å²	85.4	88%	0.881	50%	0.501	S	S	*	.	S	Bend	trans	-70.3	-27.6	174.4	52.1	0	0	0	0	112.9
32	S	96.9	Very high	94.7	Very high	97 Å²	97	78.8 Å²	78.8	68%	0.678	48%	0.483	S	S	*	.			trans	-154.4	148.7	172.7	60.8	0	0	0	0	109.4	P30	P30-S32 VanDerWaalsContact C-N 3.3Å
33	L	96.8	Very high	96.3	Very high	84 Å²	84	73.8 Å²	73.8	44%	0.44	45%	0.448	S	S	.	.			trans	-144.2	151.1	173.4	68.6	99.1	0	0	0	110	P30 A35 V41 I43	P30-L33 HydrophobicContact CG-CB 3.89Å; P30-L33 HydrophobicContact CG-CD2 3.74Å; P30-L33 HydrophobicContact CG-CG 4.44Å; L33-A35 HydrophobicContact CD1-CB 3.89Å; L33-V41 HydrophobicContact CD1-CG1 3.84Å; L33-V41 HydrophobicContact CD1-CG2 4.02Å; L33-V41 HydrophobicContact CD2-CG1 3.61Å; L33-V41 HydrophobicContact CG-CG1 4.39Å; L33-I43 HydrophobicContact CD2-CG1 4.37Å
34	S	97.6	Very high	97.2	Very high	127 Å²	127	73 Å²	73	89%	0.888	44%	0.436	S	S	*	.			trans	-114.4	134.5	168.6	-173.5	0	0	0	0	108
35	A	97.5	Very high	97.7	Very high	37 Å²	37	70.9 Å²	70.9	31%	0.306	43%	0.425	S	S	.	.			trans	-148.3	157.7	-178.1	0	0	0	0	0	109.4	L33 D39 V41 L100	L33-A35 HydrophobicContact CD1-CB 3.89Å; A35-D39 HydrophobicContact CB-CB 4.16Å; A35-V41 HydrophobicContact CB-CG2 3.87Å; A35-L100 HydrophobicContact CB-CD2 3.79Å
36	S	98.4	Very high	98	Very high	78 Å²	78	72.1 Å²	72.1	55%	0.545	43%	0.425	S	S	.	.			trans	-90.1	158.5	178.3	-56.2	0	0	0	0	111.1	G38 D39	S36-G38 PolarHBondContact O-N 3.12Å; S36-D39 WeakPolarHBondContact CB-OD2 3.37Å; S36-D39 PolarHBondContact N-OD2 2.92Å; S36-D39 VanDerWaalsContact O-CB 3.26Å; S36-D39 WeakPolarHBondContact O-CB 3.46Å; S36-D39 PolarHBondContact O-N 3.33Å; S36-D39 VanDerWaalsContact O-N 3.07Å
37	V	98.4	Very high	98	Very high	93 Å²	93	69.9 Å²	69.9	56%	0.564	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	133.7	170.3	174.9	0	0	0	0	109.1	D39 L100 P102	V37-D39 VanDerWaalsContact C-N 3.34Å; V37-L100 CarbonylContact C-O 3.06Å; V37-L100 WeakPolarHBondContact CA-O 3.49Å; V37-P102 HydrophobicContact CG2-CG 4.02Å
38	G	98.4	Very high	97.9	Very high	38 Å²	38	70 Å²	70	39%	0.392	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	-17.4	-175.9	0	0	0	0	0	114.5	S36 L100	S36-G38 PolarHBondContact O-N 3.12Å; G38-L100 PolarHBondContact N-O 2.84Å
39	D	98.7	Very high	97.6	Very high	71 Å²	71	71.7 Å²	71.7	38%	0.38	43%	0.425	S	S	.	.			trans	-64.9	148.5	179.4	-72.6	-10.8	0	0	0	111.6	A35 S36 V37 L100	A35-D39 HydrophobicContact CB-CB 4.16Å; S36-D39 WeakPolarHBondContact CB-OD2 3.37Å; S36-D39 PolarHBondContact N-OD2 2.92Å; S36-D39 VanDerWaalsContact O-CB 3.26Å; S36-D39 WeakPolarHBondContact O-CB 3.46Å; S36-D39 PolarHBondContact O-N 3.33Å; S36-D39 VanDerWaalsContact O-N 3.07Å; V37-D39 VanDerWaalsContact C-N 3.34Å; D39-L100 WeakPolarHBondContact O-CB 3.28Å; D39-L100 PolarHBondContact O-N 2.89Å
40	R	98.7	Very high	97.5	Very high	172 Å²	172	72.6 Å²	72.6	65%	0.649	43%	0.431	S	S	*	.			trans	-83.6	121.7	167.4	-179.3	-176.5	176.6	112.6	-0.8	109.3	T96 I97	R40-T96 HydrophobicContact CG-CG2 4.15Å; R40-T96 VanDerWaalsContact CZ-CG2 3.46Å; R40-I97 CarbonylContact C-O 3.48Å; R40-I97 WeakPolarHBondContact CA-O 3.32Å
41	V	98.5	Very high	97.3	Very high	10 Å²	10	70.4 Å²	70.4	6%	0.061	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	140.1	176.7	176.7	0	0	0	0	109.9	L33 A35 I43 T96 I97 L100	L33-V41 HydrophobicContact CD1-CG1 3.84Å; L33-V41 HydrophobicContact CD1-CG2 4.02Å; L33-V41 HydrophobicContact CD2-CG1 3.61Å; L33-V41 HydrophobicContact CG-CG1 4.39Å; A35-V41 HydrophobicContact CB-CG2 3.87Å; V41-I43 HydrophobicContact CG1-CG1 4.3Å; V41-T96 CarbonylContact O-C 3.5Å; V41-T96 VanDerWaalsContact O-CA 3.32Å; V41-T96 WeakPolarHBondContact O-CA 3.29Å; V41-I97 HydrophobicContact CB-CB 4.36Å; V41-I97 PolarHBondContact N-O 3.04Å; V41-I97 PolarHBondContact O-N 2.97Å; V41-L100 HydrophobicContact CG2-CB 4.46Å; V41-L100 HydrophobicContact CG2-CD1 4.23Å; V41-L100 HydrophobicContact CG2-CD2 4.16Å
42	T	98.7	Very high	97.3	Very high	61 Å²	61	66.2 Å²	66.2	37%	0.374	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	128.3	172.8	-57.8	0	0	0	0	109.8	L95	T42-L95 CarbonylContact C-O 3.57Å; T42-L95 WeakPolarHBondContact CA-O 3.47Å
43	I	98.8	Very high	97.2	Very high	12 Å²	12	64.3 Å²	64.3	6%	0.062	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.7	175.2	-53.3	176.3	0	0	0	107	L33 V41 W57 T94 L95 Y108	L33-I43 HydrophobicContact CD2-CG1 4.37Å; V41-I43 HydrophobicContact CG1-CG1 4.3Å; I43-W57 HydrophobicContact CB-CH2 4.43Å; I43-W57 HydrophobicContact CB-CZ3 4.42Å; I43-W57 HydrophobicContact CG2-CH2 4.11Å; I43-W57 HydrophobicContact CG2-CZ3 4Å; I43-T94 CarbonylContact O-C 3.6Å; I43-T94 VanDerWaalsContact O-CA 3.29Å; I43-T94 WeakPolarHBondContact O-CA 3.22Å; I43-L95 HydrophobicContact CB-CB 4.44Å; I43-L95 HydrophobicContact CD1-CD2 4.44Å; I43-L95 PolarHBondContact N-O 2.8Å; I43-L95 PolarHBondContact O-N 2.9Å; I43-Y108 HydrophobicContact CD1-CD1 4.42Å; I43-Y108 HydrophobicContact CD1-CD2 3.76Å; I43-Y108 HydrophobicContact CD1-CG 3.69Å
44	T	98.8	Very high	97.2	Very high	60 Å²	60	62.8 Å²	62.8	37%	0.368	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	151.4	177.2	65.9	0	0	0	0	110.7	Q28 S29 F93 T94	Q28-T44 VanDerWaalsContact CA-O 3.25Å; Q28-T44 WeakPolarHBondContact CA-O 3.47Å; S29-T44 PolarHBondContact N-O 3.07Å; S29-T44 PolarHBondContact O-N 2.99Å; S29-T44 PolarHBondContact O-OG1 2.85Å; T44-F93 CarbonylContact C-O 3.59Å; T44-F93 WeakPolarHBondContact CA-O 3.48Å; T44-T94 HydrophobicContact CG2-CG2 4.2Å
45	C	98.6	Very high	97.2	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.007	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	128.9	171.9	176.1	0	0	0	0	109.1	M26 T27 Q28 L55 W57 F93 C110	M26-C45 WeakPolarHBondContact CE-SG 3.37Å; T27-C45 CarbonylContact O-C 3.58Å; T27-C45 VanDerWaalsContact O-CA 3.3Å; T27-C45 WeakPolarHBondContact O-CA 3.38Å; Q28-C45 HydrophobicContact CG-CB 4.1Å; C45-L55 HydrophobicContact CB-CD1 4.38Å; C45-W57 HydrophobicContact CB-CH2 3.5Å; C45-W57 HydrophobicContact CB-CZ2 3.74Å; C45-W57 HydrophobicContact CB-CZ3 4.38Å; C45-F93 HydrophobicContact CB-CB 4.37Å; C45-F93 PolarHBondContact N-O 3.17Å; C45-F93 PolarHBondContact O-N 3.48Å; C45-C110 HydrophobicContact CB-CB 3.49Å; C45-C110 VanDerWaalsContact CB-CB 3.49Å; C45-C110 WeakPolarHBondContact CB-SG 3.3Å; C45-C110 WeakPolarHBondContact SG-CB 3.4Å; C45-C110 CovalentContact SG-SG 2.02Å; C45-C110 PolarHBondContact SG-SG 2.71Å
46	R	98.4	Very high	97.2	Very high	144 Å²	144	55.1 Å²	55.1	54%	0.543	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.7	177.3	178.6	174.8	-71.6	175.6	-1.9	110.5	M26 T27 T91 D92	M26-R46 CarbonylContact C-O 3.59Å; M26-R46 WeakPolarHBondContact CA-O 3.26Å; T27-R46 PolarHBondContact N-O 2.86Å; T27-R46 PolarHBondContact O-N 3.07Å; T27-R46 PolarHBondContact OG1-O 2.6Å; R46-T91 CarbonylContact C-O 3.49Å; R46-T91 WeakPolarHBondContact CA-O 3.03Å; R46-D92 IonicContact CZ-OD1 3.49Å; R46-D92 VanDerWaalsContact CZ-OD1 3.24Å; R46-D92 IonicContact NE-OD1 2.78Å; R46-D92 PolarHBondContact NE-OD1 2.91Å; R46-D92 IonicContact NH2-OD1 2.83Å; R46-D92 PolarHBondContact NH2-OD1 3.33Å
47	A	96.8	Very high	97.2	Very high	3 Å²	3	51.4 Å²	51.4	3%	0.025	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	142.9	168.7	0	0	0	0	0	110	I24 Q25 M26 Q49 I51 T91	I24-A47 HydrophobicContact CG2-CB 4.01Å; Q25-A47 CarbonylContact O-C 3.6Å; Q25-A47 WeakPolarHBondContact O-CA 2.96Å; M26-A47 HydrophobicContact CE-CB 4.03Å; M26-A47 HydrophobicContact SD-CB 3.79Å; A47-Q49 VanDerWaalsContact CB-O 3.25Å; A47-Q49 WeakPolarHBondContact CB-O 3.3Å; A47-Q49 PolarHBondContact O-N 3.5Å; A47-I51 HydrophobicContact CB-CD1 4.15Å; A47-I51 HydrophobicContact CB-CG1 4.38Å; A47-I51 HydrophobicContact CB-CG2 4.13Å; A47-T91 PolarHBondContact N-O 2.98Å
48	S	95.3	Very high	97.2	Very high	69 Å²	69	49.5 Å²	49.5	48%	0.483	27%	0.273	S	S	.	.	S	Bend	trans	-69.3	-15.6	177.2	64.3	0	0	0	0	113.8	Q25	Q25-S48 PolarHBondContact N-OG 3.12Å; Q25-S48 PolarHBondContact O-N 2.92Å
49	Q	92.8	Very high	97.3	Very high	105 Å²	105	48.7 Å²	48.7	49%	0.491	26%	0.259	S	S	.	.	S	Bend	trans	-143	159.6	176.4	-60	-179.8	38.2	0	0	108.8	I24 A47 I51	I24-Q49 HydrophobicContact CD1-CB 4.5Å; I24-Q49 HydrophobicContact CG1-CB 4.24Å; A47-Q49 VanDerWaalsContact CB-O 3.25Å; A47-Q49 WeakPolarHBondContact CB-O 3.3Å; A47-Q49 PolarHBondContact O-N 3.5Å; Q49-I51 PolarHBondContact O-N 2.9Å
50	S	94.8	Very high	97.2	Very high	83 Å²	83	47.9 Å²	47.9	58%	0.58	25%	0.253	S	S	*	.			trans	-61.9	130.4	178.3	-178.8	0	0	0	0	111.4	G90	S50-G90 CarbonylContact C-O 3.57Å; S50-G90 WeakPolarHBondContact CA-O 3.37Å; S50-G90 WeakPolarHBondContact OG-CA 3.39Å
51	I	94.4	Very high	97.2	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.041	24%	0.239	C	C	.	.			trans	-118.4	13.8	175.5	66.4	177.6	0	0	0	112.3	I24 M26 A47 Q49 S53 N54 L55 G90 F93 K112	I24-I51 HydrophobicContact CD1-CG2 3.89Å; I24-I51 HydrophobicContact CG2-CG2 4.08Å; M26-I51 HydrophobicContact CE-CD1 4.02Å; A47-I51 HydrophobicContact CB-CD1 4.15Å; A47-I51 HydrophobicContact CB-CG1 4.38Å; A47-I51 HydrophobicContact CB-CG2 4.13Å; Q49-I51 PolarHBondContact O-N 2.9Å; I51-S53 PolarHBondContact O-N 2.88Å; I51-N54 VanDerWaalsContact O-CB 3.29Å; I51-N54 WeakPolarHBondContact O-CB 3.38Å; I51-N54 PolarHBondContact O-N 3.36Å; I51-L55 HydrophobicContact CD1-CB 4.14Å; I51-L55 HydrophobicContact CD1-CD1 4.19Å; I51-G90 WeakPolarHBondContact CG1-O 3.02Å; I51-G90 PolarHBondContact N-O 2.81Å; I51-F93 HydrophobicContact CD1-CE2 3.72Å; I51-F93 HydrophobicContact CD1-CZ 3.79Å; I51-F93 HydrophobicContact CG1-CE2 3.71Å; I51-F93 HydrophobicContact CG1-CZ 3.46Å; I51-F93 VanDerWaalsContact CG1-CZ 3.46Å; I51-K112 HydrophobicContact CB-CG 4.23Å; I51-K112 HydrophobicContact CD1-CB 4.07Å; I51-K112 HydrophobicContact CD1-CG 4.15Å; I51-K112 HydrophobicContact CG2-CD 3.84Å; I51-K112 HydrophobicContact CG2-CG 3.88Å
52	G	95.6	Very high	97.1	Very high	37 Å²	37	48.7 Å²	48.7	38%	0.381	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	-124.4	-174	0	0	0	0	0	110.6	S89 G90 F93	G52-S89 CarbonylContact O-C 3.54Å; G52-S89 VanDerWaalsContact O-CA 3.31Å; G52-S89 WeakPolarHBondContact O-CA 3.45Å; G52-G90 PolarHBondContact O-N 2.87Å; G52-F93 WeakPolarHBondContact O-CZ 3.29Å
53	S	96.1	Very high	97	Very high	57 Å²	57	50 Å²	50	40%	0.399	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	11.2	172.9	55	0	0	0	0	113.1	I51 L55 A72 A73	I51-S53 PolarHBondContact O-N 2.88Å; S53-L55 PolarHBondContact O-N 3.49Å; S53-A72 CarbonylContact O-C 3.59Å; S53-A72 WeakPolarHBondContact O-CA 3.36Å; S53-A73 PolarHBondContact O-N 2.77Å; S53-A73 VanDerWaalsContact O-N 3.14Å
54	N	95.7	Very high	97	Very high	53 Å²	53	56 Å²	56	28%	0.283	32%	0.324	S	S	.	.			trans	-77.4	61.3	-174.3	-65.4	-14.3	0	0	0	112.3	I51 K112 C113 S115	I51-N54 VanDerWaalsContact O-CB 3.29Å; I51-N54 WeakPolarHBondContact O-CB 3.38Å; I51-N54 PolarHBondContact O-N 3.36Å; N54-K112 CarbonylContact O-C 3.52Å; N54-K112 WeakPolarHBondContact O-CA 3.48Å; N54-C113 VanDerWaalsContact CB-O 3.24Å; N54-C113 WeakPolarHBondContact CB-O 3.37Å; N54-C113 PolarHBondContact O-N 3.29Å; N54-S115 PolarHBondContact ND2-OG 2.89Å
55	L	97.4	Very high	96.9	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138.3	178.3	-171.1	140.3	0	0	0	110.5	M26 C45 I51 S53 W57 Y71 A72 A73 F93 C110 Q111	M26-L55 HydrophobicContact CE-CD1 3.84Å; C45-L55 HydrophobicContact CB-CD1 4.38Å; I51-L55 HydrophobicContact CD1-CB 4.14Å; I51-L55 HydrophobicContact CD1-CD1 4.19Å; S53-L55 PolarHBondContact O-N 3.49Å; L55-W57 VanDerWaalsContact CD2-CD1 3.49Å; L55-W57 HydrophobicContact CD2-CD2 4.16Å; L55-W57 HydrophobicContact CD2-CG 4.05Å; L55-W57 HydrophobicContact CD2-CZ2 4.38Å; L55-Y71 CarbonylContact O-C 3.52Å; L55-A72 PolarHBondContact O-N 2.82Å; L55-A73 HydrophobicContact CB-CB 4.48Å; L55-A73 PolarHBondContact O-N 3.28Å; L55-F93 HydrophobicContact CB-CD1 4Å; L55-F93 HydrophobicContact CB-CE1 3.95Å; L55-F93 HydrophobicContact CB-CG 4.41Å; L55-F93 HydrophobicContact CB-CZ 4.33Å; L55-F93 HydrophobicContact CD1-CB 3.84Å; L55-F93 HydrophobicContact CD1-CD1 3.93Å; L55-F93 HydrophobicContact CD1-CD2 3.44Å; L55-F93 VanDerWaalsContact CD1-CD2 3.44Å; L55-F93 HydrophobicContact CD1-CE1 4.36Å; L55-F93 HydrophobicContact CD1-CE2 3.94Å; L55-F93 HydrophobicContact CD1-CG 3.45Å; L55-F93 VanDerWaalsContact CD1-CG 3.45Å; L55-F93 HydrophobicContact CD1-CZ 4.38Å; L55-F93 HydrophobicContact CD2-CB 4.43Å; L55-F93 HydrophobicContact CD2-CD1 4.49Å; L55-F93 HydrophobicContact CD2-CG 4.48Å; L55-F93 HydrophobicContact CG-CD1 4.34Å; L55-F93 HydrophobicContact CG-CG 4.31Å; L55-C110 HydrophobicContact CD1-CB 4.05Å; L55-C110 HydrophobicContact CD2-CB 4.26Å; L55-C110 HydrophobicContact CG-CB 4.39Å; L55-Q111 CarbonylContact C-O 3.48Å; L55-Q111 WeakPolarHBondContact CA-O 3.22Å
56	A	98.3	Very high	96.8	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.008	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.7	169.1	0	0	0	0	0	111.2	Y58 L68 I70 C110 Q111 C113	A56-Y58 HydrophobicContact CB-CD2 4.44Å; A56-Y58 HydrophobicContact CB-CE2 3.63Å; A56-L68 HydrophobicContact CB-CD1 3.85Å; A56-I70 CarbonylContact C-O 3.56Å; A56-I70 WeakPolarHBondContact CA-O 3.33Å; A56-C110 CarbonylContact O-C 3.58Å; A56-C110 WeakPolarHBondContact O-CA 3.46Å; A56-Q111 PolarHBondContact N-O 3.46Å; A56-Q111 PolarHBondContact O-N 3.47Å; A56-C113 VanDerWaalsContact CB-SG 3.54Å
57	W	98.7	Very high	96.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.6	173	-71.4	101.9	0	0	0	110.2	I43 C45 L55 L69 I70 F93 L95 Y109 C110	I43-W57 HydrophobicContact CB-CH2 4.43Å; I43-W57 HydrophobicContact CB-CZ3 4.42Å; I43-W57 HydrophobicContact CG2-CH2 4.11Å; I43-W57 HydrophobicContact CG2-CZ3 4Å; C45-W57 HydrophobicContact CB-CH2 3.5Å; C45-W57 HydrophobicContact CB-CZ2 3.74Å; C45-W57 HydrophobicContact CB-CZ3 4.38Å; L55-W57 VanDerWaalsContact CD2-CD1 3.49Å; L55-W57 HydrophobicContact CD2-CD2 4.16Å; L55-W57 HydrophobicContact CD2-CG 4.05Å; L55-W57 HydrophobicContact CD2-CZ2 4.38Å; W57-L69 HydrophobicContact CB-CB 4.49Å; W57-L69 PolarHBondContact O-N 3.07Å; W57-I70 HydrophobicContact CB-CB 4.19Å; W57-I70 PolarHBondContact N-O 2.82Å; W57-I70 PolarHBondContact O-N 3.24Å; W57-F93 HydrophobicContact CZ2-CB 4.38Å; W57-L95 HydrophobicContact CB-CD1 4.37Å; W57-L95 HydrophobicContact CB-CD2 4.43Å; W57-L95 HydrophobicContact CD2-CB 3.62Å; W57-L95 HydrophobicContact CD2-CD1 4.49Å; W57-L95 HydrophobicContact CD2-CD2 4.11Å; W57-L95 HydrophobicContact CD2-CG 4.3Å; W57-L95 HydrophobicContact CE3-CB 3.81Å; W57-L95 HydrophobicContact CE3-CD2 3.83Å; W57-L95 HydrophobicContact CE3-CG 4.4Å; W57-L95 HydrophobicContact CG-CB 4.18Å; W57-L95 HydrophobicContact CG-CD1 4.2Å; W57-L95 HydrophobicContact CG-CD2 4.38Å; W57-L95 HydrophobicContact CH2-CB 3.91Å; W57-L95 HydrophobicContact CZ2-CB 3.76Å; W57-L95 HydrophobicContact CZ3-CB 3.94Å; W57-L95 HydrophobicContact CZ3-CD2 4.36Å; W57-Y109 CarbonylContact C-O 3.55Å; W57-Y109 WeakPolarHBondContact CA-O 3.48Å; W57-C110 HydrophobicContact CD2-CB 4.2Å; W57-C110 HydrophobicContact CE3-CB 3.88Å; W57-C110 HydrophobicContact CH2-CB 3.99Å; W57-C110 HydrophobicContact CZ2-CB 4.26Å; W57-C110 HydrophobicContact CZ3-CB 3.78Å
58	Y	98.6	Very high	96.9	Very high	54 Å²	54	63.9 Å²	63.9	21%	0.212	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147.3	179.3	-61.1	-95.1	0	0	0	111.4	A56 P66 K67 L68 Y108 Y109 Q111	A56-Y58 HydrophobicContact CB-CD2 4.44Å; A56-Y58 HydrophobicContact CB-CE2 3.63Å; Y58-P66 HydrophobicContact CD1-CB 4.32Å; Y58-K67 CarbonylContact C-O 3.53Å; Y58-K67 WeakPolarHBondContact CA-O 3.33Å; Y58-L68 HydrophobicContact CD1-CB 4.18Å; Y58-L68 HydrophobicContact CD1-CD1 4.38Å; Y58-L68 HydrophobicContact CE1-CB 3.97Å; Y58-L68 HydrophobicContact CE1-CD1 3.93Å; Y58-Y108 VanDerWaalsContact O-CA 3.31Å; Y58-Y108 WeakPolarHBondContact O-CA 3.45Å; Y58-Y109 PolarHBondContact N-O 3.27Å; Y58-Y109 PolarHBondContact O-N 2.83Å; Y58-Q111 HydrophobicContact CD2-CB 4.34Å; Y58-Q111 HydrophobicContact CE2-CB 3.78Å; Y58-Q111 VanDerWaalsContact CE2-OE1 3.29Å; Y58-Q111 PolarHBondContact OH-OE1 2.84Å
59	Q	98.7	Very high	97	Very high	20 Å²	20	61 Å²	61	9%	0.093	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.8	169.3	-171.9	-173.3	70.1	0	0	109.6	P66 K67 L69 A106 Y108	Q59-P66 WeakPolarHBondContact O-CA 3.4Å; Q59-K67 PolarHBondContact N-O 2.86Å; Q59-K67 PolarHBondContact O-N 3.01Å; Q59-L69 HydrophobicContact CB-CD1 3.85Å; Q59-L69 HydrophobicContact CB-CD2 4.03Å; Q59-L69 HydrophobicContact CB-CG 3.92Å; Q59-A106 HydrophobicContact CG-CB 3.33Å; Q59-Y108 HydrophobicContact CB-CD1 4.4Å; Q59-Y108 HydrophobicContact CB-CE1 4.13Å; Q59-Y108 HydrophobicContact CG-CD1 4.48Å; Q59-Y108 HydrophobicContact CG-CE1 3.91Å; Q59-Y108 PolarHBondContact NE2-OH 3.27Å
60	Q	98.4	Very high	97.3	Very high	55 Å²	55	56 Å²	56	26%	0.257	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	114.6	173.6	-168.3	-180	21.3	0	0	110.7	K64 P66 A106 T107 Y109	Q60-K64 VanDerWaalsContact CG-O 3.3Å; Q60-K64 WeakPolarHBondContact CG-O 3.39Å; Q60-K64 PolarHBondContact NE2-O 2.97Å; Q60-K64 VanDerWaalsContact NE2-O 3.1Å; Q60-P66 HydrophobicContact CB-CB 4.49Å; Q60-P66 HydrophobicContact CB-CG 4.36Å; Q60-P66 HydrophobicContact CG-CG 4.2Å; Q60-A106 WeakPolarHBondContact O-CB 3.21Å; Q60-T107 PolarHBondContact N-O 2.87Å; Q60-T107 PolarHBondContact O-N 3.02Å; Q60-Y109 HydrophobicContact CB-CD2 4.35Å; Q60-Y109 HydrophobicContact CB-CE2 3.77Å; Q60-Y109 PolarHBondContact OE1-OH 2.89Å; Q60-Y109 VanDerWaalsContact OE1-OH 3.12Å
61	K	97.8	Very high	97.4	Very high	79 Å²	79	57 Å²	57	34%	0.343	32%	0.322	S	S	.	.			trans	-82.3	152.6	170.8	-65.6	-172.9	177.7	-169.6	0	110.5	G63 K64 E103 A106	K61-G63 PolarHBondContact O-N 2.93Å; K61-K64 HydrophobicContact CB-CB 4.25Å; K61-K64 HydrophobicContact CB-CG 4.14Å; K61-K64 PolarHBondContact O-N 2.75Å; K61-E103 WeakPolarHBondContact CE-O 3.31Å; K61-E103 PolarHBondContact NZ-O 3.34Å; K61-A106 HydrophobicContact CG-CB 4.25Å
62	P	97	Very high	97.6	Very high	120 Å²	120	58.4 Å²	58.4	78%	0.779	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	127.7	176.6	-28.2	35.4	0	0	0	112.4	K64	P62-K64 PolarHBondContact O-N 3Å
63	G	96.9	Very high	97.7	Very high	87 Å²	87	56.7 Å²	56.7	90%	0.897	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	12.1	179.8	0	0	0	0	0	115.7	K61	K61-G63 PolarHBondContact O-N 2.93Å
64	K	97.4	Very high	97.8	Very high	140 Å²	140	57.6 Å²	57.6	61%	0.609	32%	0.323	S	S	*	.	S	Bend	trans	-116.3	158	177.1	-57.9	-60.8	-179.6	-174.1	0	111.3	Q60 K61 P62	Q60-K64 VanDerWaalsContact CG-O 3.3Å; Q60-K64 WeakPolarHBondContact CG-O 3.39Å; Q60-K64 PolarHBondContact NE2-O 2.97Å; Q60-K64 VanDerWaalsContact NE2-O 3.1Å; K61-K64 HydrophobicContact CB-CB 4.25Å; K61-K64 HydrophobicContact CB-CG 4.14Å; K61-K64 PolarHBondContact O-N 2.75Å; P62-K64 PolarHBondContact O-N 3Å
65	V	96.3	Very high	97.9	Very high	113 Å²	113	57.6 Å²	57.6	69%	0.685	33%	0.325	S	S	*	.			trans	-70	149.2	171	-62.9	0	0	0	0	110.5
66	P	97.5	Very high	98	Very high	67 Å²	67	60.5 Å²	60.5	44%	0.435	34%	0.34	S	S	.	.			trans	-58.2	136.2	173	-23.7	34.1	0	0	0	112	Y58 Q59 Q60	Y58-P66 HydrophobicContact CD1-CB 4.32Å; Q59-P66 WeakPolarHBondContact O-CA 3.4Å; Q60-P66 HydrophobicContact CB-CB 4.49Å; Q60-P66 HydrophobicContact CB-CG 4.36Å; Q60-P66 HydrophobicContact CG-CG 4.2Å
67	K	98.1	Very high	98	Very high	141 Å²	141	63.9 Å²	63.9	61%	0.613	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	133.8	174	-67.4	-171.7	175.6	-170.2	0	110.1	Y58 Q59 L69	Y58-K67 CarbonylContact C-O 3.53Å; Y58-K67 WeakPolarHBondContact CA-O 3.33Å; Q59-K67 PolarHBondContact N-O 2.86Å; Q59-K67 PolarHBondContact O-N 3.01Å; K67-L69 PolarHBondContact O-N 2.84Å
68	L	98.3	Very high	97.9	Very high	52 Å²	52	68.3 Å²	68.3	27%	0.272	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	129.1	175.5	178.1	64.5	0	0	0	110.1	A56 Y58 I70 Q77	A56-L68 HydrophobicContact CB-CD1 3.85Å; Y58-L68 HydrophobicContact CD1-CB 4.18Å; Y58-L68 HydrophobicContact CD1-CD1 4.38Å; Y58-L68 HydrophobicContact CE1-CB 3.97Å; Y58-L68 HydrophobicContact CE1-CD1 3.93Å; L68-I70 WeakPolarHBondContact CD1-O 3.27Å; L68-Q77 HydrophobicContact CD2-CB 4.39Å; L68-Q77 HydrophobicContact CD2-CG 4.26Å; L68-Q77 HydrophobicContact CG-CB 4.23Å; L68-Q77 HydrophobicContact CG-CG 4.35Å
69	L	98.6	Very high	97.8	Very high	9 Å²	9	74.8 Å²	74.8	5%	0.047	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-52	172.9	-66	-177.6	0	0	0	111.8	W57 Q59 K67 Q77 V80 F84 L95 Y108	W57-L69 HydrophobicContact CB-CB 4.49Å; W57-L69 PolarHBondContact O-N 3.07Å; Q59-L69 HydrophobicContact CB-CD1 3.85Å; Q59-L69 HydrophobicContact CB-CD2 4.03Å; Q59-L69 HydrophobicContact CB-CG 3.92Å; K67-L69 PolarHBondContact O-N 2.84Å; L69-Q77 WeakPolarHBondContact O-CB 3.31Å; L69-Q77 PolarHBondContact O-N 3.37Å; L69-V80 HydrophobicContact CB-CG1 4.49Å; L69-V80 HydrophobicContact CD2-CG1 3.83Å; L69-V80 HydrophobicContact CD2-CG2 4.16Å; L69-F84 HydrophobicContact CD1-CD1 3.81Å; L69-F84 HydrophobicContact CD1-CE1 3.81Å; L69-L95 HydrophobicContact CD1-CD2 4.35Å; L69-Y108 HydrophobicContact CD1-CD1 4.04Å; L69-Y108 HydrophobicContact CD1-CE1 3.78Å
70	I	98.7	Very high	97.8	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	137.4	-171.6	-58.2	-174.8	0	0	0	108.2	A56 W57 L68 T75 L76 L95	A56-I70 CarbonylContact C-O 3.56Å; A56-I70 WeakPolarHBondContact CA-O 3.33Å; W57-I70 HydrophobicContact CB-CB 4.19Å; W57-I70 PolarHBondContact N-O 2.82Å; W57-I70 PolarHBondContact O-N 3.24Å; L68-I70 WeakPolarHBondContact CD1-O 3.27Å; I70-T75 CarbonylContact C-O 3.59Å; I70-T75 VanDerWaalsContact CA-O 3.26Å; I70-T75 WeakPolarHBondContact CA-O 3.39Å; I70-T75 WeakPolarHBondContact CG2-O 3.26Å; I70-L76 HydrophobicContact CD1-CD1 4.27Å; I70-L76 HydrophobicContact CG1-CD1 3.86Å; I70-L95 HydrophobicContact CD1-CD1 3.65Å; I70-L95 HydrophobicContact CG1-CD1 4.46Å
71	Y	97.7	Very high	97.8	Very high	104 Å²	104	74.9 Å²	74.9	41%	0.408	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	168.2	171.7	68.6	-85.7	0	0	0	110.5	L55 A73 S74 T75	L55-Y71 CarbonylContact O-C 3.52Å; Y71-A73 PolarHBondContact O-N 3.38Å; Y71-A73 VanDerWaalsContact O-N 3.14Å; Y71-S74 PolarHBondContact O-N 3.46Å; Y71-T75 HydrophobicContact CD1-CG2 4.31Å; Y71-T75 WeakPolarHBondContact CD1-O 3.35Å; Y71-T75 HydrophobicContact CD2-CG2 4.49Å; Y71-T75 HydrophobicContact CE1-CG2 3.57Å; Y71-T75 HydrophobicContact CE2-CG2 3.77Å; Y71-T75 PolarHBondContact N-O 3.47Å; Y71-T75 WeakPolarHBondContact O-CA 3.48Å; Y71-T75 VanDerWaalsContact O-CB 3.31Å; Y71-T75 WeakPolarHBondContact O-CB 3.17Å; Y71-T75 PolarHBondContact O-N 2.86Å; Y71-T75 VanDerWaalsContact OH-CG2 3.27Å; Y71-T75 WeakPolarHBondContact OH-CG2 3.38Å
72	A	96.8	Very high	97.8	Very high	37 Å²	37	76.5 Å²	76.5	31%	0.306	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	39.4	-176.2	0	0	0	0	0	112.6	S53 L55 S74	S53-A72 CarbonylContact O-C 3.59Å; S53-A72 WeakPolarHBondContact O-CA 3.36Å; L55-A72 PolarHBondContact O-N 2.82Å; A72-S74 PolarHBondContact O-N 2.88Å
73	A	97.9	Very high	97.9	Very high	1 Å²	1	72.8 Å²	72.8	1%	0.008	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	-32.4	-176	0	0	0	0	0	117.1	S53 L55 Y71 G86 S87 F93	S53-A73 PolarHBondContact O-N 2.77Å; S53-A73 VanDerWaalsContact O-N 3.14Å; L55-A73 HydrophobicContact CB-CB 4.48Å; L55-A73 PolarHBondContact O-N 3.28Å; Y71-A73 PolarHBondContact O-N 3.38Å; Y71-A73 VanDerWaalsContact O-N 3.14Å; A73-G86 CarbonylContact O-C 3.58Å; A73-G86 VanDerWaalsContact O-C 3.27Å; A73-G86 VanDerWaalsContact O-CA 3.31Å; A73-G86 WeakPolarHBondContact O-CA 3.41Å; A73-S87 PolarHBondContact O-N 2.93Å; A73-F93 HydrophobicContact CB-CD1 3.82Å; A73-F93 HydrophobicContact CB-CE1 3.87Å
74	S	98.4	Very high	98	Very high	75 Å²	75	69 Å²	69	52%	0.524	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.6	-6.4	-171.8	60.4	0	0	0	0	115.1	Y71 A72 L76 G86	Y71-S74 PolarHBondContact O-N 3.46Å; A72-S74 PolarHBondContact O-N 2.88Å; S74-L76 PolarHBondContact O-N 2.84Å; S74-G86 VanDerWaalsContact CB-O 3.28Å; S74-G86 WeakPolarHBondContact CB-O 3.26Å
75	T	98.4	Very high	98.1	Very high	54 Å²	54	65.1 Å²	65.1	33%	0.331	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	115.9	-177.7	-51.1	0	0	0	0	110.6	I70 Y71	I70-T75 CarbonylContact C-O 3.59Å; I70-T75 VanDerWaalsContact CA-O 3.26Å; I70-T75 WeakPolarHBondContact CA-O 3.39Å; I70-T75 WeakPolarHBondContact CG2-O 3.26Å; Y71-T75 HydrophobicContact CD1-CG2 4.31Å; Y71-T75 WeakPolarHBondContact CD1-O 3.35Å; Y71-T75 HydrophobicContact CD2-CG2 4.49Å; Y71-T75 HydrophobicContact CE1-CG2 3.57Å; Y71-T75 HydrophobicContact CE2-CG2 3.77Å; Y71-T75 PolarHBondContact N-O 3.47Å; Y71-T75 WeakPolarHBondContact O-CA 3.48Å; Y71-T75 VanDerWaalsContact O-CB 3.31Å; Y71-T75 WeakPolarHBondContact O-CB 3.17Å; Y71-T75 PolarHBondContact O-N 2.86Å; Y71-T75 VanDerWaalsContact OH-CG2 3.27Å; Y71-T75 WeakPolarHBondContact OH-CG2 3.38Å
76	L	98.6	Very high	98.2	Very high	61 Å²	61	60.3 Å²	60.3	32%	0.319	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.2	-179	-164.2	64.9	0	0	0	110.5	I70 S74 V80 F84	I70-L76 HydrophobicContact CD1-CD1 4.27Å; I70-L76 HydrophobicContact CG1-CD1 3.86Å; S74-L76 PolarHBondContact O-N 2.84Å; L76-V80 HydrophobicContact CD1-CB 3.8Å; L76-V80 HydrophobicContact CD1-CG1 3.52Å; L76-V80 WeakPolarHBondContact CD2-O 3.45Å; L76-V80 HydrophobicContact CG-CB 3.94Å; L76-V80 HydrophobicContact CG-CG1 4.2Å; L76-F84 HydrophobicContact CD1-CB 3.96Å
77	Q	98.4	Very high	98.2	Very high	72 Å²	72	60 Å²	60	34%	0.336	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-68.1	147.6	173.9	176.7	64.2	-31.6	0	0	110.3	L68 L69 V80	L68-Q77 HydrophobicContact CD2-CB 4.39Å; L68-Q77 HydrophobicContact CD2-CG 4.26Å; L68-Q77 HydrophobicContact CG-CB 4.23Å; L68-Q77 HydrophobicContact CG-CG 4.35Å; L69-Q77 WeakPolarHBondContact O-CB 3.31Å; L69-Q77 PolarHBondContact O-N 3.37Å; Q77-V80 HydrophobicContact CB-CG2 3.9Å; Q77-V80 HydrophobicContact CG-CG2 4.45Å; Q77-V80 WeakPolarHBondContact O-CB 3.4Å; Q77-V80 WeakPolarHBondContact O-CG2 3.38Å; Q77-V80 PolarHBondContact O-N 2.84Å
78	S	97.9	Very high	98.2	Very high	94 Å²	94	55.1 Å²	55.1	66%	0.657	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	144.1	176.5	-55.7	0	0	0	0	111.8	V80	S78-V80 PolarHBondContact O-N 3.39Å
79	E	96.3	Very high	98.2	Very high	190 Å²	190	56.6 Å²	56.6	89%	0.888	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	2.4	-177.8	-50.4	-55.4	132.2	0	0	116
80	V	98.4	Very high	98.1	Very high	22 Å²	22	56.9 Å²	56.9	13%	0.133	35%	0.35	C	S	.	.			trans	-80.5	129.5	170.7	-178.1	0	0	0	0	109	L69 L76 Q77 S78 F84	L69-V80 HydrophobicContact CB-CG1 4.49Å; L69-V80 HydrophobicContact CD2-CG1 3.83Å; L69-V80 HydrophobicContact CD2-CG2 4.16Å; L76-V80 HydrophobicContact CD1-CB 3.8Å; L76-V80 HydrophobicContact CD1-CG1 3.52Å; L76-V80 WeakPolarHBondContact CD2-O 3.45Å; L76-V80 HydrophobicContact CG-CB 3.94Å; L76-V80 HydrophobicContact CG-CG1 4.2Å; Q77-V80 HydrophobicContact CB-CG2 3.9Å; Q77-V80 HydrophobicContact CG-CG2 4.45Å; Q77-V80 WeakPolarHBondContact O-CB 3.4Å; Q77-V80 WeakPolarHBondContact O-CG2 3.38Å; Q77-V80 PolarHBondContact O-N 2.84Å; S78-V80 PolarHBondContact O-N 3.39Å; V80-F84 HydrophobicContact CG1-CB 3.98Å; V80-F84 HydrophobicContact CG1-CD2 3.75Å; V80-F84 HydrophobicContact CG1-CG 4.01Å
81	P	98.4	Very high	98	Very high	54 Å²	54	59.2 Å²	59.2	35%	0.351	36%	0.364	S	S	.	.			trans	-57.8	141.7	179.4	-28.6	37.1	0	0	0	113.1	R83 F84	P81-R83 HydrophobicContact CB-CG 3.93Å; P81-R83 PolarHBondContact O-N 3.14Å; P81-F84 HydrophobicContact CB-CD2 4.3Å; P81-F84 WeakPolarHBondContact O-CD2 3.35Å; P81-F84 PolarHBondContact O-N 3.42Å
82	S	98.3	Very high	98.1	Very high	114 Å²	114	57.5 Å²	57.5	80%	0.797	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-7.7	-179.1	58.5	0	0	0	0	115	F84	S82-F84 PolarHBondContact O-N 2.02Å
83	R	98.6	Very high	98.2	Very high	42 Å²	42	55.8 Å²	55.8	16%	0.158	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.4	170	63	172.7	178.6	-90.7	3.7	113	P81 I97 S98 S99 E103 D104	P81-R83 HydrophobicContact CB-CG 3.93Å; P81-R83 PolarHBondContact O-N 3.14Å; R83-I97 HydrophobicContact CG-CG2 4.41Å; R83-I97 CarbonylContact O-C 3.27Å; R83-I97 WeakPolarHBondContact O-CA 3.46Å; R83-S98 WeakPolarHBondContact CA-OG 3.31Å; R83-S98 WeakPolarHBondContact CB-OG 3.33Å; R83-S98 PolarHBondContact O-N 2.8Å; R83-S98 PolarHBondContact O-OG 3.33Å; R83-S99 WeakPolarHBondContact CD-O 3.41Å; R83-E103 IonicContact CZ-OE1 2.74Å; R83-E103 IonicContact NH1-OE1 3.5Å; R83-E103 IonicContact NH2-OE1 3.59Å; R83-E103 PolarHBondContact NH2-OE1 2.84Å; R83-D104 IonicContact CZ-OD1 2.77Å; R83-D104 IonicContact CZ-OD2 3.49Å; R83-D104 IonicContact NE-OD1 3.53Å; R83-D104 PolarHBondContact NE-OD1 3.34Å; R83-D104 IonicContact NE-OD2 3.24Å; R83-D104 PolarHBondContact NE-OD2 2.84Å; R83-D104 IonicContact NH2-OD1 3.36Å; R83-D104 PolarHBondContact NH2-OD1 3.06Å; R83-D104 IonicContact NH2-OD2 2.82Å; R83-D104 PolarHBondContact NH2-OD2 3.38Å
84	F	98.9	Very high	98.2	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.035	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	136.3	172.7	-67.8	-87.6	0	0	0	110.3	L69 L76 V80 P81 S82 L95 T96 I97 D104 Y108	L69-F84 HydrophobicContact CD1-CD1 3.81Å; L69-F84 HydrophobicContact CD1-CE1 3.81Å; L76-F84 HydrophobicContact CD1-CB 3.96Å; V80-F84 HydrophobicContact CG1-CB 3.98Å; V80-F84 HydrophobicContact CG1-CD2 3.75Å; V80-F84 HydrophobicContact CG1-CG 4.01Å; P81-F84 HydrophobicContact CB-CD2 4.3Å; P81-F84 WeakPolarHBondContact O-CD2 3.35Å; P81-F84 PolarHBondContact O-N 3.42Å; S82-F84 PolarHBondContact O-N 2.02Å; F84-L95 HydrophobicContact CD1-CD1 4.39Å; F84-T96 CarbonylContact C-O 3.58Å; F84-T96 WeakPolarHBondContact CA-O 3.33Å; F84-I97 HydrophobicContact CD1-CD1 4.31Å; F84-I97 HydrophobicContact CD1-CG1 3.82Å; F84-I97 HydrophobicContact CE1-CD1 3.61Å; F84-I97 HydrophobicContact CE1-CG1 3.63Å; F84-I97 HydrophobicContact CE1-CG2 4.42Å; F84-I97 HydrophobicContact CZ-CD1 4.28Å; F84-I97 HydrophobicContact CZ-CG1 4.49Å; F84-D104 HydrophobicContact CZ-CB 4.38Å; F84-D104 WeakPolarHBondContact CZ-OD1 3.25Å; F84-Y108 AromaticContact CE1-CE1 3.97Å; F84-Y108 HydrophobicContact CE1-CE1 3.97Å
85	S	98.8	Very high	98.3	Very high	57 Å²	57	54 Å²	54	40%	0.399	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	146.4	174.8	53.9	0	0	0	0	110.7	T96	S85-T96 PolarHBondContact N-O 2.97Å; S85-T96 PolarHBondContact O-N 2.87Å; S85-T96 WeakPolarHBondContact OG-CB 3.17Å; S85-T96 PolarHBondContact OG-O 3.14Å
86	G	98.7	Very high	98.3	Very high	13 Å²	13	51.8 Å²	51.8	13%	0.134	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	146.9	-179.5	0	0	0	0	0	110	A73 S74 T94	A73-G86 CarbonylContact O-C 3.58Å; A73-G86 VanDerWaalsContact O-C 3.27Å; A73-G86 VanDerWaalsContact O-CA 3.31Å; A73-G86 WeakPolarHBondContact O-CA 3.41Å; S74-G86 VanDerWaalsContact CB-O 3.28Å; S74-G86 WeakPolarHBondContact CB-O 3.26Å; G86-T94 WeakPolarHBondContact CA-O 3.24Å
87	S	98.6	Very high	98.3	Very high	59 Å²	59	49 Å²	49	41%	0.413	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	167.6	175.4	74.9	0	0	0	0	111.5	A73 F93 T94	A73-S87 PolarHBondContact O-N 2.93Å; S87-F93 CarbonylContact O-C 3.57Å; S87-F93 VanDerWaalsContact O-CA 3.3Å; S87-F93 WeakPolarHBondContact O-CA 3.35Å; S87-T94 PolarHBondContact N-O 2.92Å; S87-T94 PolarHBondContact O-N 3.36Å; S87-T94 PolarHBondContact OG-OG1 2.77Å
88	G	98	Very high	98.3	Very high	39 Å²	39	48.4 Å²	48.4	40%	0.402	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	109.2	167.5	176.8	0	0	0	0	0	113.6	D92	G88-D92 VanDerWaalsContact CA-O 3.22Å; G88-D92 WeakPolarHBondContact CA-O 3.37Å
89	S	97.3	Very high	98.3	Very high	84 Å²	84	46 Å²	46	59%	0.587	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-163.7	164	178.1	66.6	0	0	0	0	109.2	G52 T91 D92	G52-S89 CarbonylContact O-C 3.54Å; G52-S89 VanDerWaalsContact O-CA 3.31Å; G52-S89 WeakPolarHBondContact O-CA 3.45Å; S89-T91 PolarHBondContact O-N 2.83Å; S89-T91 VanDerWaalsContact O-N 3.08Å; S89-D92 PolarHBondContact N-O 2.84Å
90	G	96.8	Very high	98.4	Very high	15 Å²	15	37.9 Å²	37.9	16%	0.155	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	-102.9	-179	0	0	0	0	0	110.2	S50 I51 G52 F93	S50-G90 CarbonylContact C-O 3.57Å; S50-G90 WeakPolarHBondContact CA-O 3.37Å; S50-G90 WeakPolarHBondContact OG-CA 3.39Å; I51-G90 WeakPolarHBondContact CG1-O 3.02Å; I51-G90 PolarHBondContact N-O 2.81Å; G52-G90 PolarHBondContact O-N 2.87Å; G90-F93 WeakPolarHBondContact O-CE2 3.02Å; G90-F93 WeakPolarHBondContact O-CZ 3.34Å
91	T	97.7	Very high	98.4	Very high	49 Å²	49	39.5 Å²	39.5	30%	0.301	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-23.5	-174.6	48	0	0	0	0	114.1	R46 A47 S89	R46-T91 CarbonylContact C-O 3.49Å; R46-T91 WeakPolarHBondContact CA-O 3.03Å; A47-T91 PolarHBondContact N-O 2.98Å; S89-T91 PolarHBondContact O-N 2.83Å; S89-T91 VanDerWaalsContact O-N 3.08Å
92	D	98.6	Very high	98.4	Very high	67 Å²	67	41 Å²	41	36%	0.358	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.5	-168.3	-64.5	-94.5	0	0	0	110.9	R46 G88 S89	R46-D92 IonicContact CZ-OD1 3.49Å; R46-D92 VanDerWaalsContact CZ-OD1 3.24Å; R46-D92 IonicContact NE-OD1 2.78Å; R46-D92 PolarHBondContact NE-OD1 2.91Å; R46-D92 IonicContact NH2-OD1 2.83Å; R46-D92 PolarHBondContact NH2-OD1 3.33Å; G88-D92 VanDerWaalsContact CA-O 3.22Å; G88-D92 WeakPolarHBondContact CA-O 3.37Å; S89-D92 PolarHBondContact N-O 2.84Å
93	F	98.8	Very high	98.4	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.009	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.8	-173.1	-56	-92.2	0	0	0	110.8	T44 C45 I51 G52 L55 W57 A73 S87 G90	T44-F93 CarbonylContact C-O 3.59Å; T44-F93 WeakPolarHBondContact CA-O 3.48Å; C45-F93 HydrophobicContact CB-CB 4.37Å; C45-F93 PolarHBondContact N-O 3.17Å; C45-F93 PolarHBondContact O-N 3.48Å; I51-F93 HydrophobicContact CD1-CE2 3.72Å; I51-F93 HydrophobicContact CD1-CZ 3.79Å; I51-F93 HydrophobicContact CG1-CE2 3.71Å; I51-F93 HydrophobicContact CG1-CZ 3.46Å; I51-F93 VanDerWaalsContact CG1-CZ 3.46Å; G52-F93 WeakPolarHBondContact O-CZ 3.29Å; L55-F93 HydrophobicContact CB-CD1 4Å; L55-F93 HydrophobicContact CB-CE1 3.95Å; L55-F93 HydrophobicContact CB-CG 4.41Å; L55-F93 HydrophobicContact CB-CZ 4.33Å; L55-F93 HydrophobicContact CD1-CB 3.84Å; L55-F93 HydrophobicContact CD1-CD1 3.93Å; L55-F93 HydrophobicContact CD1-CD2 3.44Å; L55-F93 VanDerWaalsContact CD1-CD2 3.44Å; L55-F93 HydrophobicContact CD1-CE1 4.36Å; L55-F93 HydrophobicContact CD1-CE2 3.94Å; L55-F93 HydrophobicContact CD1-CG 3.45Å; L55-F93 VanDerWaalsContact CD1-CG 3.45Å; L55-F93 HydrophobicContact CD1-CZ 4.38Å; L55-F93 HydrophobicContact CD2-CB 4.43Å; L55-F93 HydrophobicContact CD2-CD1 4.49Å; L55-F93 HydrophobicContact CD2-CG 4.48Å; L55-F93 HydrophobicContact CG-CD1 4.34Å; L55-F93 HydrophobicContact CG-CG 4.31Å; W57-F93 HydrophobicContact CZ2-CB 4.38Å; A73-F93 HydrophobicContact CB-CD1 3.82Å; A73-F93 HydrophobicContact CB-CE1 3.87Å; S87-F93 CarbonylContact O-C 3.57Å; S87-F93 VanDerWaalsContact O-CA 3.3Å; S87-F93 WeakPolarHBondContact O-CA 3.35Å; G90-F93 WeakPolarHBondContact O-CE2 3.02Å; G90-F93 WeakPolarHBondContact O-CZ 3.34Å
94	T	98.8	Very high	98.4	Very high	37 Å²	37	37.9 Å²	37.9	23%	0.227	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	145.9	173.8	77.5	0	0	0	0	111.7	I43 T44 G86 S87	I43-T94 CarbonylContact O-C 3.6Å; I43-T94 VanDerWaalsContact O-CA 3.29Å; I43-T94 WeakPolarHBondContact O-CA 3.22Å; T44-T94 HydrophobicContact CG2-CG2 4.2Å; G86-T94 WeakPolarHBondContact CA-O 3.24Å; S87-T94 PolarHBondContact N-O 2.92Å; S87-T94 PolarHBondContact O-N 3.36Å; S87-T94 PolarHBondContact OG-OG1 2.77Å
95	L	98.9	Very high	98.4	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125	163.1	175.9	67.4	0	0	0	107.3	T42 I43 W57 L69 I70 F84 Y108	T42-L95 CarbonylContact C-O 3.57Å; T42-L95 WeakPolarHBondContact CA-O 3.47Å; I43-L95 HydrophobicContact CB-CB 4.44Å; I43-L95 HydrophobicContact CD1-CD2 4.44Å; I43-L95 PolarHBondContact N-O 2.8Å; I43-L95 PolarHBondContact O-N 2.9Å; W57-L95 HydrophobicContact CB-CD1 4.37Å; W57-L95 HydrophobicContact CB-CD2 4.43Å; W57-L95 HydrophobicContact CD2-CB 3.62Å; W57-L95 HydrophobicContact CD2-CD1 4.49Å; W57-L95 HydrophobicContact CD2-CD2 4.11Å; W57-L95 HydrophobicContact CD2-CG 4.3Å; W57-L95 HydrophobicContact CE3-CB 3.81Å; W57-L95 HydrophobicContact CE3-CD2 3.83Å; W57-L95 HydrophobicContact CE3-CG 4.4Å; W57-L95 HydrophobicContact CG-CB 4.18Å; W57-L95 HydrophobicContact CG-CD1 4.2Å; W57-L95 HydrophobicContact CG-CD2 4.38Å; W57-L95 HydrophobicContact CH2-CB 3.91Å; W57-L95 HydrophobicContact CZ2-CB 3.76Å; W57-L95 HydrophobicContact CZ3-CB 3.94Å; W57-L95 HydrophobicContact CZ3-CD2 4.36Å; L69-L95 HydrophobicContact CD1-CD2 4.35Å; I70-L95 HydrophobicContact CD1-CD1 3.65Å; I70-L95 HydrophobicContact CG1-CD1 4.46Å; F84-L95 HydrophobicContact CD1-CD1 4.39Å; L95-Y108 HydrophobicContact CD2-CD1 3.57Å; L95-Y108 HydrophobicContact CD2-CE1 4.12Å; L95-Y108 HydrophobicContact CD2-CG 4.29Å
96	T	98.8	Very high	98.3	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.049	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.1	175.1	-63.7	0	0	0	0	109.8	R40 V41 F84 S85	R40-T96 HydrophobicContact CG-CG2 4.15Å; R40-T96 VanDerWaalsContact CZ-CG2 3.46Å; V41-T96 CarbonylContact O-C 3.5Å; V41-T96 VanDerWaalsContact O-CA 3.32Å; V41-T96 WeakPolarHBondContact O-CA 3.29Å; F84-T96 CarbonylContact C-O 3.58Å; F84-T96 WeakPolarHBondContact CA-O 3.33Å; S85-T96 PolarHBondContact N-O 2.97Å; S85-T96 PolarHBondContact O-N 2.87Å; S85-T96 WeakPolarHBondContact OG-CB 3.17Å; S85-T96 PolarHBondContact OG-O 3.14Å
97	I	98.8	Very high	98.3	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	112.5	164	-47.5	178.1	0	0	0	106.2	R40 V41 R83 F84 L100 D104 Y108	R40-I97 CarbonylContact C-O 3.48Å; R40-I97 WeakPolarHBondContact CA-O 3.32Å; V41-I97 HydrophobicContact CB-CB 4.36Å; V41-I97 PolarHBondContact N-O 3.04Å; V41-I97 PolarHBondContact O-N 2.97Å; R83-I97 HydrophobicContact CG-CG2 4.41Å; R83-I97 CarbonylContact O-C 3.27Å; R83-I97 WeakPolarHBondContact O-CA 3.46Å; F84-I97 HydrophobicContact CD1-CD1 4.31Å; F84-I97 HydrophobicContact CD1-CG1 3.82Å; F84-I97 HydrophobicContact CE1-CD1 3.61Å; F84-I97 HydrophobicContact CE1-CG1 3.63Å; F84-I97 HydrophobicContact CE1-CG2 4.42Å; F84-I97 HydrophobicContact CZ-CD1 4.28Å; F84-I97 HydrophobicContact CZ-CG1 4.49Å; I97-L100 HydrophobicContact CD1-CD1 3.95Å; I97-L100 HydrophobicContact CG2-CD1 4.31Å; I97-D104 HydrophobicContact CD1-CB 4.47Å; I97-Y108 HydrophobicContact CD1-CE1 4.21Å; I97-Y108 HydrophobicContact CD1-CE2 4.46Å; I97-Y108 WeakPolarHBondContact CD1-OH 3.38Å
98	S	98.8	Very high	98.3	Very high	59 Å²	59	42.7 Å²	42.7	41%	0.413	27%	0.268	S	S	.	.	S	Bend	trans	-73.6	-28.9	-171.8	61.5	0	0	0	0	113.8	R83	R83-S98 WeakPolarHBondContact CA-OG 3.31Å; R83-S98 WeakPolarHBondContact CB-OG 3.33Å; R83-S98 PolarHBondContact O-N 2.8Å; R83-S98 PolarHBondContact O-OG 3.33Å
99	S	98.6	Very high	98.4	Very high	43 Å²	43	45.4 Å²	45.4	30%	0.301	27%	0.266	S	S	.	.	S	Bend	trans	-149.7	95.8	178	-175.1	0	0	0	0	109.3	R83 Q101	R83-S99 WeakPolarHBondContact CD-O 3.41Å; S99-Q101 PolarHBondContact O-N 3.48Å; S99-Q101 PolarHBondContact O-NE2 2.88Å
100	L	98.6	Very high	98.4	Very high	20 Å²	20	42 Å²	42	11%	0.105	24%	0.242	C	C	.	.			trans	-59.8	133.1	-174.6	-171.3	72.8	0	0	0	111.8	A35 V37 G38 D39 V41 I97 D104	A35-L100 HydrophobicContact CB-CD2 3.79Å; V37-L100 CarbonylContact C-O 3.06Å; V37-L100 WeakPolarHBondContact CA-O 3.49Å; G38-L100 PolarHBondContact N-O 2.84Å; D39-L100 WeakPolarHBondContact O-CB 3.28Å; D39-L100 PolarHBondContact O-N 2.89Å; V41-L100 HydrophobicContact CG2-CB 4.46Å; V41-L100 HydrophobicContact CG2-CD1 4.23Å; V41-L100 HydrophobicContact CG2-CD2 4.16Å; I97-L100 HydrophobicContact CD1-CD1 3.95Å; I97-L100 HydrophobicContact CG2-CD1 4.31Å; L100-D104 HydrophobicContact CD1-CB 3.63Å; L100-D104 HydrophobicContact CG-CB 4.49Å
101	Q	98.6	Very high	98.4	Very high	57 Å²	57	45.2 Å²	45.2	27%	0.266	25%	0.253	S	S	.	.			trans	-114.5	160.3	175.8	-58.6	-56.9	-42.9	0	0	111.9	S99 E103 D104	S99-Q101 PolarHBondContact O-N 3.48Å; S99-Q101 PolarHBondContact O-NE2 2.88Å; Q101-E103 VanDerWaalsContact CB-CD 3.4Å; Q101-E103 HydrophobicContact CB-CG 4.41Å; Q101-E103 WeakPolarHBondContact CB-OE1 3.43Å; Q101-E103 VanDerWaalsContact CB-OE2 3.26Å; Q101-E103 WeakPolarHBondContact CB-OE2 3.38Å; Q101-E103 PolarHBondContact O-N 2.85Å; Q101-D104 PolarHBondContact N-OD2 3.27Å; Q101-D104 VanDerWaalsContact O-CB 3.3Å; Q101-D104 WeakPolarHBondContact O-CB 3.3Å; Q101-D104 PolarHBondContact O-N 2.78Å
102	P	98.1	Very high	98.1	Very high	86 Å²	86	45.3 Å²	45.3	56%	0.558	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-55.4	-34.6	178.6	-26.7	35.8	0	0	0	113.7	V37 D104 V105	V37-P102 HydrophobicContact CG2-CG 4.02Å; P102-D104 PolarHBondContact O-N 3.36Å; P102-V105 WeakPolarHBondContact O-CG2 3.25Å; P102-V105 PolarHBondContact O-N 2.96Å
103	E	97.8	Very high	97.4	Very high	85 Å²	85	44 Å²	44	40%	0.397	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-72.5	-8.1	177.5	70.4	-86.5	-165.6	0	0	114.3	K61 R83 Q101 V105	K61-E103 WeakPolarHBondContact CE-O 3.31Å; K61-E103 PolarHBondContact NZ-O 3.34Å; R83-E103 IonicContact CZ-OE1 2.74Å; R83-E103 IonicContact NH1-OE1 3.5Å; R83-E103 IonicContact NH2-OE1 3.59Å; R83-E103 PolarHBondContact NH2-OE1 2.84Å; Q101-E103 VanDerWaalsContact CB-CD 3.4Å; Q101-E103 HydrophobicContact CB-CG 4.41Å; Q101-E103 WeakPolarHBondContact CB-OE1 3.43Å; Q101-E103 VanDerWaalsContact CB-OE2 3.26Å; Q101-E103 WeakPolarHBondContact CB-OE2 3.38Å; Q101-E103 PolarHBondContact O-N 2.85Å; E103-V105 VanDerWaalsContact C-N 3.33Å
104	D	98.3	Very high	96.1	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-88.4	-2.4	179.6	-58.9	-27.3	0	0	0	112.4	R83 F84 I97 L100 Q101 P102 A106 Y108	R83-D104 IonicContact CZ-OD1 2.77Å; R83-D104 IonicContact CZ-OD2 3.49Å; R83-D104 IonicContact NE-OD1 3.53Å; R83-D104 PolarHBondContact NE-OD1 3.34Å; R83-D104 IonicContact NE-OD2 3.24Å; R83-D104 PolarHBondContact NE-OD2 2.84Å; R83-D104 IonicContact NH2-OD1 3.36Å; R83-D104 PolarHBondContact NH2-OD1 3.06Å; R83-D104 IonicContact NH2-OD2 2.82Å; R83-D104 PolarHBondContact NH2-OD2 3.38Å; F84-D104 HydrophobicContact CZ-CB 4.38Å; F84-D104 WeakPolarHBondContact CZ-OD1 3.25Å; I97-D104 HydrophobicContact CD1-CB 4.47Å; L100-D104 HydrophobicContact CD1-CB 3.63Å; L100-D104 HydrophobicContact CG-CB 4.49Å; Q101-D104 PolarHBondContact N-OD2 3.27Å; Q101-D104 VanDerWaalsContact O-CB 3.3Å; Q101-D104 WeakPolarHBondContact O-CB 3.3Å; Q101-D104 PolarHBondContact O-N 2.78Å; P102-D104 PolarHBondContact O-N 3.36Å; D104-A106 PolarHBondContact O-N 2.8Å; D104-Y108 PolarHBondContact O-OH 2.84Å
105	V	98.2	Very high	94.2	Very high	109 Å²	109	52 Å²	52	66%	0.661	30%	0.295	S	S	*	.			trans	-68.1	107.6	174.5	-179.3	0	0	0	0	109.6	P102 E103	P102-V105 WeakPolarHBondContact O-CG2 3.25Å; P102-V105 PolarHBondContact O-N 2.96Å; E103-V105 VanDerWaalsContact C-N 3.33Å
106	A	98.4	Very high	92	Very high	27 Å²	27	55.6 Å²	55.6	22%	0.223	32%	0.324	C	S	.	.	S	Bend	trans	-164.9	169.6	-172.3	0	0	0	0	0	111.3	Q59 Q60 K61 D104 Y108	Q59-A106 HydrophobicContact CG-CB 3.33Å; Q60-A106 WeakPolarHBondContact O-CB 3.21Å; K61-A106 HydrophobicContact CG-CB 4.25Å; D104-A106 PolarHBondContact O-N 2.8Å; A106-Y108 HydrophobicContact CB-CE2 4.05Å; A106-Y108 WeakPolarHBondContact O-CD2 3.21Å; A106-Y108 WeakPolarHBondContact O-CE2 3.37Å
107	T	98.7	Very high	89.3	Confident	75 Å²	75	60.4 Å²	60.4	46%	0.46	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	137.3	162.7	-49.9	0	0	0	0	109.5	Q60 Y109	Q60-T107 PolarHBondContact N-O 2.87Å; Q60-T107 PolarHBondContact O-N 3.02Å; T107-Y109 HydrophobicContact CG2-CD2 4.44Å; T107-Y109 HydrophobicContact CG2-CE1 3.91Å; T107-Y109 HydrophobicContact CG2-CE2 3.67Å; T107-Y109 WeakPolarHBondContact CG2-OH 3.48Å
108	Y	98.7	Very high	86.9	Confident	28 Å²	28	65.1 Å²	65.1	11%	0.11	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.3	-178	-67.9	-93.2	0	0	0	110.7	Q28 I43 Y58 Q59 L69 F84 L95 I97 D104 A106	Q28-Y108 PolarHBondContact NE2-O 2.88Å; I43-Y108 HydrophobicContact CD1-CD1 4.42Å; I43-Y108 HydrophobicContact CD1-CD2 3.76Å; I43-Y108 HydrophobicContact CD1-CG 3.69Å; Y58-Y108 VanDerWaalsContact O-CA 3.31Å; Y58-Y108 WeakPolarHBondContact O-CA 3.45Å; Q59-Y108 HydrophobicContact CB-CD1 4.4Å; Q59-Y108 HydrophobicContact CB-CE1 4.13Å; Q59-Y108 HydrophobicContact CG-CD1 4.48Å; Q59-Y108 HydrophobicContact CG-CE1 3.91Å; Q59-Y108 PolarHBondContact NE2-OH 3.27Å; L69-Y108 HydrophobicContact CD1-CD1 4.04Å; L69-Y108 HydrophobicContact CD1-CE1 3.78Å; F84-Y108 AromaticContact CE1-CE1 3.97Å; F84-Y108 HydrophobicContact CE1-CE1 3.97Å; L95-Y108 HydrophobicContact CD2-CD1 3.57Å; L95-Y108 HydrophobicContact CD2-CE1 4.12Å; L95-Y108 HydrophobicContact CD2-CG 4.29Å; I97-Y108 HydrophobicContact CD1-CE1 4.21Å; I97-Y108 HydrophobicContact CD1-CE2 4.46Å; I97-Y108 WeakPolarHBondContact CD1-OH 3.38Å; D104-Y108 PolarHBondContact O-OH 2.84Å; A106-Y108 HydrophobicContact CB-CE2 4.05Å; A106-Y108 WeakPolarHBondContact O-CD2 3.21Å; A106-Y108 WeakPolarHBondContact O-CE2 3.37Å
109	Y	98.4	Very high	84.5	Confident	95 Å²	95	68.8 Å²	68.8	37%	0.373	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	137.5	-179.2	-56.7	-83.8	0	0	0	110.8	W57 Y58 Q60 T107	W57-Y109 CarbonylContact C-O 3.55Å; W57-Y109 WeakPolarHBondContact CA-O 3.48Å; Y58-Y109 PolarHBondContact N-O 3.27Å; Y58-Y109 PolarHBondContact O-N 2.83Å; Q60-Y109 HydrophobicContact CB-CD2 4.35Å; Q60-Y109 HydrophobicContact CB-CE2 3.77Å; Q60-Y109 PolarHBondContact OE1-OH 2.89Å; Q60-Y109 VanDerWaalsContact OE1-OH 3.12Å; T107-Y109 HydrophobicContact CG2-CD2 4.44Å; T107-Y109 HydrophobicContact CG2-CE1 3.91Å; T107-Y109 HydrophobicContact CG2-CE2 3.67Å; T107-Y109 WeakPolarHBondContact CG2-OH 3.48Å
110	C	97.9	Very high	82.2	Confident	13 Å²	13	72.6 Å²	72.6	9%	0.088	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	144.9	162.6	67.2	0	0	0	0	110.3	Q28 C45 L55 A56 W57	Q28-C110 VanDerWaalsContact CD-SG 3.56Å; Q28-C110 HydrophobicContact CG-CB 4.47Å; Q28-C110 WeakPolarHBondContact CG-SG 3.31Å; C45-C110 HydrophobicContact CB-CB 3.49Å; C45-C110 VanDerWaalsContact CB-CB 3.49Å; C45-C110 WeakPolarHBondContact CB-SG 3.3Å; C45-C110 WeakPolarHBondContact SG-CB 3.4Å; C45-C110 CovalentContact SG-SG 2.02Å; C45-C110 PolarHBondContact SG-SG 2.71Å; L55-C110 HydrophobicContact CD1-CB 4.05Å; L55-C110 HydrophobicContact CD2-CB 4.26Å; L55-C110 HydrophobicContact CG-CB 4.39Å; A56-C110 CarbonylContact O-C 3.58Å; A56-C110 WeakPolarHBondContact O-CA 3.46Å; W57-C110 HydrophobicContact CD2-CB 4.2Å; W57-C110 HydrophobicContact CE3-CB 3.88Å; W57-C110 HydrophobicContact CH2-CB 3.99Å; W57-C110 HydrophobicContact CZ2-CB 4.26Å; W57-C110 HydrophobicContact CZ3-CB 3.78Å
111	Q	96	Very high	79.7	Confident	83 Å²	83	79 Å²	79	39%	0.388	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	129	178.8	-171.1	-137.5	-35.9	0	0	109.2	L55 A56 Y58 C113	L55-Q111 CarbonylContact C-O 3.48Å; L55-Q111 WeakPolarHBondContact CA-O 3.22Å; A56-Q111 PolarHBondContact N-O 3.46Å; A56-Q111 PolarHBondContact O-N 3.47Å; Y58-Q111 HydrophobicContact CD2-CB 4.34Å; Y58-Q111 HydrophobicContact CE2-CB 3.78Å; Y58-Q111 VanDerWaalsContact CE2-OE1 3.29Å; Y58-Q111 PolarHBondContact OH-OE1 2.84Å; Q111-C113 PolarHBondContact O-N 2.67Å
112	K	93.1	Very high	77.2	Confident	51 Å²	51	84.4 Å²	84.4	22%	0.222	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	125.3	160.9	176	-163.2	164.5	82.2	0	108.4	I24 M26 I51 N54 D114	I24-K112 HydrophobicContact CB-CD 4.09Å; I24-K112 HydrophobicContact CD1-CD 3.63Å; I24-K112 HydrophobicContact CG1-CD 4.43Å; I24-K112 HydrophobicContact CG2-CD 4.27Å; M26-K112 HydrophobicContact CE-CB 4.4Å; M26-K112 HydrophobicContact SD-CB 3.98Å; I51-K112 HydrophobicContact CB-CG 4.23Å; I51-K112 HydrophobicContact CD1-CB 4.07Å; I51-K112 HydrophobicContact CD1-CG 4.15Å; I51-K112 HydrophobicContact CG2-CD 3.84Å; I51-K112 HydrophobicContact CG2-CG 3.88Å; N54-K112 CarbonylContact O-C 3.52Å; N54-K112 WeakPolarHBondContact O-CA 3.48Å; K112-D114 WeakPolarHBondContact CE-OD1 2.95Å
113	C	83.4	Confident	74.4	Confident	39 Å²	39	84.1 Å²	84.1	26%	0.264	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-91.1	136.3	169.5	-62.3	0	0	0	0	108.8	N54 A56 Q111	N54-C113 VanDerWaalsContact CB-O 3.24Å; N54-C113 WeakPolarHBondContact CB-O 3.37Å; N54-C113 PolarHBondContact O-N 3.29Å; A56-C113 VanDerWaalsContact CB-SG 3.54Å; Q111-C113 PolarHBondContact O-N 2.67Å
114	D	71.5	Confident	71.7	Confident	111 Å²	111	91.9 Å²	91.9	59%	0.594	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-84.9	128.7	171.8	-68.1	-37.9	0	0	0	109.3	K112 A116	K112-D114 WeakPolarHBondContact CE-OD1 2.95Å; D114-A116 PolarHBondContact O-N 3.28Å
115	S	58.2	Low	69.3	Low	97 Å²	97	101.5 Å²	101.5	68%	0.678	58%	0.576	S	S	*	*	S	Bend	trans	-81.8	88.9	165.2	52.7	0	0	0	0	107.8	N54	N54-S115 PolarHBondContact ND2-OG 2.89Å
116	A	52.5	Low	67.9	Low	76 Å²	76	101.2 Å²	101.2	63%	0.628	57%	0.571	S	S	*	*	S	Bend	trans	118.4	148.9	179.4	0	0	0	0	0	113.4	D114	D114-A116 PolarHBondContact O-N 3.28Å
117	P	43.3	Very low	66.3	Low	108 Å²	108	105.1 Å²	105.1	70%	0.701	59%	0.59	S	S	*	*			trans	-70	153.3	-144.4	30.6	-34.3	0	0	0	113	T119	P117-T119 PolarHBondContact O-N 2.83Å
118	P	47.8	Very low	64.5	Low	102 Å²	102	106.7 Å²	106.7	66%	0.662	60%	0.597	S	S	*	*			trans	-60.9	116	178.3	25.4	-31.3	0	0	0	108.4	V120	P118-V120 PolarHBondContact O-N 2.78Å
119	T	49.5	Very low	62.5	Low	135 Å²	135	111.4 Å²	111.4	83%	0.828	63%	0.625	S	S	*	*			trans	-63.4	111.8	166.3	-52.7	0	0	0	0	105.7	P117 I121	P117-T119 PolarHBondContact O-N 2.83Å; T119-I121 PolarHBondContact O-N 3.08Å
120	V	48.8	Very low	60.2	Low	124 Å²	124	112.4 Å²	112.4	75%	0.752	64%	0.641	S	S	*	*			trans	-3.1	107.4	178.8	-176.3	0	0	0	0	113.9	P118 Q122	P118-V120 PolarHBondContact O-N 2.78Å; V120-Q122 VanDerWaalsContact C-N 3.28Å; V120-Q122 PolarHBondContact O-N 3.39Å
121	I	46.5	Very low	57.7	Low	153 Å²	153	119 Å²	119	79%	0.785	68%	0.678	S	S	*	*			trans	-71.2	93.6	165.7	-42.4	175.9	0	0	0	106	T119 A123	T119-I121 PolarHBondContact O-N 3.08Å; I121-A123 PolarHBondContact O-N 3.14Å
122	Q	46	Very low	55	Low	171 Å²	171	121.6 Å²	121.6	80%	0.799	70%	0.699	S	S	*	*			trans	-71.4	99.9	172.4	-153.9	176.5	-5.9	0	0	107	V120 R124	V120-Q122 VanDerWaalsContact C-N 3.28Å; V120-Q122 PolarHBondContact O-N 3.39Å; Q122-R124 PolarHBondContact O-N 3.22Å; Q122-R124 VanDerWaalsContact O-N 3.07Å
123	A	39.5	Very low	52	Low	81 Å²	81	127 Å²	127	67%	0.669	74%	0.736	S	S	*	*			trans	-62.1	110.3	167.9	0	0	0	0	0	107.3	I121 T125	I121-A123 PolarHBondContact O-N 3.14Å; A123-T125 PolarHBondContact O-N 2.94Å; A123-T125 VanDerWaalsContact O-N 3.12Å
124	R	41.6	Very low	49.4	Very low	247 Å²	247	134.3 Å²	134.3	93%	0.932	78%	0.775	S	S	*	*			trans	-69.3	107.8	162.5	-79.3	-167.7	179.3	-169.6	1.1	106.7	Q122	Q122-R124 PolarHBondContact O-N 3.22Å; Q122-R124 VanDerWaalsContact O-N 3.07Å
125	T	48	Very low	47.4	Very low	207 Å²	207	136.5 Å²	136.5	100%	1.27	79%	0.791	S	S	*	*			trans	-77.8	0	159.4	6.5	0	0	0	0	109	A123	A123-T125 PolarHBondContact O-N 2.94Å; A123-T125 VanDerWaalsContact O-N 3.12Å

Retrieved 125 of 125 residues in 187.4 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).