A0A075B5K0_MOUSE Loading...

Immunoglobulin kappa variable 14-126

AlphaFold DB , UniProt , Accession A0A075B5K0, Species MOUSE (Mus musculus, Mouse), Gene Igkv14-126, Length 117 aa.

						>A0A075B5K0_MOUSE|A0A075B5K0|Igkv14-126
MDMRAPAQFFGILLLWFPGIRCDIKMTQSPSSMYASLGERVTITCKASQDIKSYLSWYQQKPWKSPKTLIYYATSLADGVPSRFSGSGSGQDYSLTISSLESDDTATYYCLQHGESP
					

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(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	50.7	Low	55	Low	234 Å²	234	159.9 Å²	159.9	100%	1.153	85%	0.854	S	S	*	*				0	84.2	0	-73	164.1	172.8	0	0	106.2	M3	M1-M3 PolarHBondContact O-N 3.4Å
2	D	46.5	Very low	56	Low	166 Å²	166	158.2 Å²	158.2	89%	0.888	84%	0.843	S	S	*	*			trans	-73.5	119.6	-174.6	-68.7	-72.9	0	0	0	110.9
3	M	50.2	Low	56.5	Low	191 Å²	191	159.1 Å²	159.1	94%	0.941	85%	0.846	S	S	*	*			trans	-105.5	107	167.4	-77.9	-169.7	-101.3	0	0	108.4	M1	M1-M3 PolarHBondContact O-N 3.4Å
4	R	53.9	Low	56.9	Low	249 Å²	249	156.4 Å²	156.4	94%	0.94	83%	0.831	S	S	*	*			trans	-130.4	100.5	166.6	-149.6	175	-159	172.8	5.5	108.2
5	A	59.3	Low	57.1	Low	92 Å²	92	156.3 Å²	156.3	76%	0.76	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-68.1	148.5	177.8	0	0	0	0	0	111.2
6	P	52.3	Low	57.2	Low	119 Å²	119	161.9 Å²	161.9	77%	0.773	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-81	136	-173.1	32.3	-31.8	0	0	0	111.5	Q8	P6-Q8 PolarHBondContact O-N 2.82Å
7	A	59	Low	57.5	Low	85 Å²	85	162.5 Å²	162.5	70%	0.702	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-72.3	117.3	169	0	0	0	0	0	109.4	F9	A7-F9 PolarHBondContact O-N 2.97Å
8	Q	52	Low	57.6	Low	162 Å²	162	159.7 Å²	159.7	76%	0.757	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-73.3	120	172.2	-64.3	-149.7	-24	0	0	110.1	P6	P6-Q8 PolarHBondContact O-N 2.82Å
9	F	59.3	Low	57.8	Low	200 Å²	200	155.4 Å²	155.4	88%	0.877	82%	0.824	S	S	*	*			trans	-104.3	99.5	164.5	-82	-82.4	0	0	0	108.6	A7	A7-F9 PolarHBondContact O-N 2.97Å
10	F	59.1	Low	58.2	Low	183 Å²	183	155.2 Å²	155.2	80%	0.803	82%	0.822	S	S	*	*			trans	-87.6	104.4	162.9	-98.3	-88.3	0	0	0	108.1
11	G	63.2	Low	58.4	Low	78 Å²	78	155.3 Å²	155.3	80%	0.804	81%	0.811	S	S	*	*			trans	-85.2	115.8	173.1	0	0	0	0	0	110.8
12	I	66.7	Low	59.7	Low	139 Å²	139	148.2 Å²	148.2	71%	0.713	78%	0.783	S	S	*	*			trans	-84.4	116.3	180	-68.8	172.4	0	0	0	109.4	L14	I12-L14 HydrophobicContact CG2-CB 3.9Å; I12-L14 HydrophobicContact CG2-CD1 3.29Å; I12-L14 HydrophobicContact CG2-CG 3.33Å
13	L	62.1	Low	61.7	Low	170 Å²	170	145.8 Å²	145.8	89%	0.89	77%	0.77	S	S	*	*			trans	-95.4	89.7	172.6	-147.9	95.7	0	0	0	108.5
14	L	63	Low	63.8	Low	122 Å²	122	137.6 Å²	137.6	64%	0.639	73%	0.73	S	S	*	*			trans	-123	39.8	-175.4	-79.2	179.4	0	0	0	114.1	I12	I12-L14 HydrophobicContact CG2-CB 3.9Å; I12-L14 HydrophobicContact CG2-CD1 3.29Å; I12-L14 HydrophobicContact CG2-CG 3.33Å
15	L	58.7	Low	65.8	Low	155 Å²	155	132.5 Å²	132.5	81%	0.812	72%	0.715	S	S	*	*			trans	-137.2	112.6	177.9	-64	168.8	0	0	0	108.5
16	W	59.2	Low	67.6	Low	245 Å²	245	130.4 Å²	130.4	93%	0.928	69%	0.69	S	S	*	*			trans	120.9	42.8	169.7	-65.5	30.4	0	0	0	116	P18	W16-P18 VanDerWaalsContact O-CD 3.3Å; W16-P18 WeakPolarHBondContact O-CD 3.4Å
17	F	61.8	Low	69.8	Low	172 Å²	172	128.3 Å²	128.3	75%	0.754	68%	0.675	S	S	*	*			trans	-86	109.5	153.8	-64.3	-70.5	0	0	0	107.7	G19	F17-G19 PolarHBondContact O-N 3.43Å
18	P	60.3	Low	71.7	Confident	113 Å²	113	127.2 Å²	127.2	73%	0.734	66%	0.655	S	S	*	*			trans	-55.2	132.1	166.6	24.4	-31.1	0	0	0	107.2	W16 I20	W16-P18 VanDerWaalsContact O-CD 3.3Å; W16-P18 WeakPolarHBondContact O-CD 3.4Å; P18-I20 PolarHBondContact O-N 3.43Å
19	G	60.3	Low	73.9	Confident	77 Å²	77	122.7 Å²	122.7	79%	0.794	64%	0.642	S	S	*	*			trans	-50.5	116.9	-177	0	0	0	0	0	110.2	F17 R21	F17-G19 PolarHBondContact O-N 3.43Å; G19-R21 PolarHBondContact O-N 2.87Å
20	I	65.9	Low	75.8	Confident	152 Å²	152	115.5 Å²	115.5	78%	0.779	62%	0.615	S	S	*	*			trans	-70.4	98.4	176	-60.4	171.4	0	0	0	106.1	P18	P18-I20 PolarHBondContact O-N 3.43Å
21	R	63.8	Low	77.6	Confident	158 Å²	158	112.8 Å²	112.8	60%	0.596	62%	0.619	S	S	*	*			trans	-90	115	167.9	-148.7	171.6	-174	-179.4	-7.6	107.2	G19 D23 S116 P117	G19-R21 PolarHBondContact O-N 2.87Å; R21-D23 PolarHBondContact O-N 2.77Å; R21-S116 PolarHBondContact NH2-O 3.4Å; R21-P117 WeakPolarHBondContact CD-OXT 3.3Å; R21-P117 PolarHBondContact NE-OXT 3.08Å; R21-P117 PolarHBondContact NH1-O 3.46Å; R21-P117 PolarHBondContact NH1-OXT 3.49Å; R21-P117 PolarHBondContact NH2-O 3.45Å
22	C	77.6	Confident	79.2	Confident	84 Å²	84	113.3 Å²	113.3	57%	0.568	61%	0.611	S	S	*	*			trans	-87.6	99.4	178.3	-71.8	0	0	0	0	109.2	Q49	C22-Q49 PolarHBondContact O-NE2 2.87Å
23	D	88.8	Confident	80.7	Confident	115 Å²	115	110.5 Å²	110.5	62%	0.615	60%	0.595	S	S	*	*			trans	-60.8	140	176.5	-71.4	-6.9	0	0	0	111.8	R21 K25	R21-D23 PolarHBondContact O-N 2.77Å; D23-K25 PolarHBondContact O-N 3.09Å
24	I	93.4	Very high	82.4	Confident	19 Å²	19	113.2 Å²	113.2	10%	0.097	60%	0.595	C	S	.	*			trans	-74.9	113.9	172.2	-56.8	-174.1	0	0	0	109.1	M26 A47 Q49 I51 Q112 E115	I24-M26 HydrophobicContact CG2-SD 4.03Å; I24-A47 HydrophobicContact CG2-CB 4.11Å; I24-Q49 HydrophobicContact CD1-CB 4.27Å; I24-Q49 HydrophobicContact CG1-CB 4.29Å; I24-Q49 HydrophobicContact CG1-CG 4.47Å; I24-I51 HydrophobicContact CD1-CG2 3.52Å; I24-I51 HydrophobicContact CG2-CG2 3.99Å; I24-Q112 HydrophobicContact CB-CG 4.32Å; I24-Q112 HydrophobicContact CG2-CG 4.19Å; I24-E115 HydrophobicContact CD1-CB 3.89Å; I24-E115 HydrophobicContact CD1-CG 3.84Å; I24-E115 WeakPolarHBondContact CD1-OE2 3.32Å
25	K	95.6	Very high	84	Confident	142 Å²	142	109.3 Å²	109.3	62%	0.617	58%	0.581	S	S	*	*			trans	-85.1	129.5	176.8	-176.3	179.9	177.7	-178.8	0	110.5	D23 A47 S48	D23-K25 PolarHBondContact O-N 3.09Å; K25-A47 CarbonylContact O-C 3.56Å; K25-A47 WeakPolarHBondContact O-CA 3.44Å; K25-S48 PolarHBondContact N-OG 2.92Å; K25-S48 PolarHBondContact O-N 3.11Å
26	M	97.5	Very high	85.9	Confident	48 Å²	48	105.4 Å²	105.4	24%	0.236	57%	0.566	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.3	132.2	171.6	-53.6	-51.4	-64.6	0	0	110.4	I24 C45 K46 A47 I51 L55 Q112	I24-M26 HydrophobicContact CG2-SD 4.03Å; M26-C45 WeakPolarHBondContact CE-SG 3.4Å; M26-K46 CarbonylContact C-O 3.22Å; M26-K46 WeakPolarHBondContact CA-O 3.42Å; M26-A47 HydrophobicContact CE-CB 3.81Å; M26-A47 HydrophobicContact SD-CB 3.75Å; M26-I51 HydrophobicContact CE-CD1 4.01Å; M26-I51 HydrophobicContact SD-CD1 4.46Å; M26-L55 HydrophobicContact CE-CD1 3.76Å; M26-Q112 HydrophobicContact CE-CB 4.23Å; M26-Q112 HydrophobicContact CG-CB 4.42Å; M26-Q112 HydrophobicContact CG-CG 4.19Å; M26-Q112 HydrophobicContact SD-CB 3.67Å; M26-Q112 HydrophobicContact SD-CG 3.73Å
27	T	98.4	Very high	87.7	Confident	76 Å²	76	99.7 Å²	99.7	47%	0.466	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.9	117.1	178.9	-53.6	0	0	0	0	109.6	C45 K46	T27-C45 CarbonylContact O-C 3.58Å; T27-C45 WeakPolarHBondContact O-CA 3.47Å; T27-K46 PolarHBondContact N-O 2.74Å; T27-K46 PolarHBondContact O-N 2.97Å
28	Q	98.7	Very high	89.5	Confident	61 Å²	61	93.6 Å²	93.6	29%	0.285	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	147.3	178.9	-74.1	-178.2	-123.1	0	0	112.5	T44 C45 Y108 C110	Q28-T44 VanDerWaalsContact CA-O 3.25Å; Q28-T44 WeakPolarHBondContact CA-O 3.43Å; Q28-C45 HydrophobicContact CG-CB 4.03Å; Q28-Y108 PolarHBondContact NE2-O 2.98Å; Q28-C110 VanDerWaalsContact CD-SG 3.54Å; Q28-C110 WeakPolarHBondContact CG-SG 3.49Å; Q28-C110 PolarHBondContact OE1-SG 2.59Å; Q28-C110 VanDerWaalsContact OE1-SG 3.36Å
29	S	98.6	Very high	91.3	Very high	67 Å²	67	92.8 Å²	92.8	47%	0.469	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	140.5	172.8	-173.9	0	0	0	0	111.6	T44	S29-T44 PolarHBondContact N-O 3.43Å; S29-T44 PolarHBondContact O-N 3.03Å; S29-T44 PolarHBondContact O-OG1 3.44Å
30	P	98.4	Very high	93.1	Very high	50 Å²	50	97.1 Å²	97.1	33%	0.325	52%	0.518	S	S	.	.			cis	-74.9	166	-10.9	34	-35.1	0	0	0	111.6	M33	P30-M33 HydrophobicContact CG-CB 3.99Å; P30-M33 HydrophobicContact CG-CE 3.19Å; P30-M33 HydrophobicContact CG-CG 4.36Å
31	S	97.5	Very high	94.6	Very high	125 Å²	125	90.4 Å²	90.4	87%	0.874	48%	0.484	S	S	*	.	S	Bend	trans	-73.7	-28.1	174.5	52.2	0	0	0	0	113.1
32	S	97.8	Very high	96.3	Very high	90 Å²	90	85.5 Å²	85.5	63%	0.629	47%	0.472	S	S	*	.	S	Bend	trans	-152.3	154	170.9	64.7	0	0	0	0	109.9
33	M	96.9	Very high	97.3	Very high	79 Å²	79	82.2 Å²	82.2	39%	0.389	45%	0.448	S	S	.	.			trans	-153.4	159.1	175.7	61.2	168.7	75.5	0	0	110.3	P30 V41 I43	P30-M33 HydrophobicContact CG-CB 3.99Å; P30-M33 HydrophobicContact CG-CE 3.19Å; P30-M33 HydrophobicContact CG-CG 4.36Å; M33-V41 HydrophobicContact CE-CG1 3.92Å; M33-V41 HydrophobicContact SD-CB 4.37Å; M33-V41 HydrophobicContact SD-CG1 3.37Å; M33-V41 WeakPolarHBondContact SD-CG1 3.34Å; M33-V41 HydrophobicContact SD-CG2 4.17Å; M33-I43 HydrophobicContact CE-CG1 3.92Å
34	Y	97.2	Very high	97.8	Very high	228 Å²	228	79.9 Å²	79.9	89%	0.894	44%	0.438	S	S	*	.			trans	-120.5	136.1	168.7	-61.7	-90	0	0	0	107.7
35	A	97.1	Very high	98	Very high	40 Å²	40	79 Å²	79	33%	0.331	43%	0.434	S	S	.	.			trans	-144.3	150.6	178.9	0	0	0	0	0	109.2	E39 V41 L100	A35-E39 WeakPolarHBondContact CA-OE2 3.3Å; A35-V41 HydrophobicContact CB-CG2 3.69Å; A35-L100 HydrophobicContact CB-CD2 3.78Å
36	S	98.2	Very high	98.2	Very high	73 Å²	73	77.4 Å²	77.4	51%	0.51	43%	0.427	S	S	.	.			trans	-83.9	154.6	177.4	-57.5	0	0	0	0	110.7	G38 E39	S36-G38 PolarHBondContact O-N 3.45Å; S36-E39 PolarHBondContact N-OE2 2.82Å; S36-E39 VanDerWaalsContact O-CB 3.3Å; S36-E39 WeakPolarHBondContact O-CB 3.48Å; S36-E39 WeakPolarHBondContact O-CG 3.43Å; S36-E39 PolarHBondContact O-N 3.45Å; S36-E39 VanDerWaalsContact O-N 3.08Å
37	L	98.1	Very high	98.2	Very high	124 Å²	124	75.1 Å²	75.1	65%	0.649	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	137.4	174.6	-61.5	180	0	0	0	110.6	E39 L100	L37-E39 VanDerWaalsContact C-N 3.26Å; L37-E39 PolarHBondContact O-N 2.86Å; L37-L100 WeakPolarHBondContact CA-O 3.02Å
38	G	98.3	Very high	98.1	Very high	45 Å²	45	74.3 Å²	74.3	46%	0.464	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-11.8	-175.4	0	0	0	0	0	114.9	S36 L100	S36-G38 PolarHBondContact O-N 3.45Å; G38-L100 PolarHBondContact N-O 2.85Å
39	E	98.5	Very high	97.9	Very high	95 Å²	95	74.8 Å²	74.8	44%	0.444	42%	0.415	S	S	.	.			trans	-70.5	151.5	174.7	-67.5	-175.2	157.3	0	0	111.6	A35 S36 L37 L100	A35-E39 WeakPolarHBondContact CA-OE2 3.3Å; S36-E39 PolarHBondContact N-OE2 2.82Å; S36-E39 VanDerWaalsContact O-CB 3.3Å; S36-E39 WeakPolarHBondContact O-CB 3.48Å; S36-E39 WeakPolarHBondContact O-CG 3.43Å; S36-E39 PolarHBondContact O-N 3.45Å; S36-E39 VanDerWaalsContact O-N 3.08Å; L37-E39 VanDerWaalsContact C-N 3.26Å; L37-E39 PolarHBondContact O-N 2.86Å; E39-L100 WeakPolarHBondContact O-CB 3.49Å; E39-L100 PolarHBondContact O-N 2.02Å
40	R	98.5	Very high	97.8	Very high	168 Å²	168	76.3 Å²	76.3	63%	0.634	42%	0.418	S	S	*	.			trans	-81.8	127.9	171	177.2	-176.4	168.4	114.4	0.4	109.4	T96 I97	R40-T96 HydrophobicContact CG-CG2 4.16Å; R40-T96 PolarHBondContact NH2-OG1 2.99Å; R40-I97 WeakPolarHBondContact CA-O 3.31Å
41	V	98.3	Very high	97.7	Very high	12 Å²	12	74.1 Å²	74.1	7%	0.073	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.3	175.5	167.5	0	0	0	0	110.1	M33 A35 I43 T96 I97 L100	M33-V41 HydrophobicContact CE-CG1 3.92Å; M33-V41 HydrophobicContact SD-CB 4.37Å; M33-V41 HydrophobicContact SD-CG1 3.37Å; M33-V41 WeakPolarHBondContact SD-CG1 3.34Å; M33-V41 HydrophobicContact SD-CG2 4.17Å; A35-V41 HydrophobicContact CB-CG2 3.69Å; V41-I43 HydrophobicContact CG1-CG1 4.27Å; V41-T96 CarbonylContact O-C 3.57Å; V41-T96 VanDerWaalsContact O-CA 3.27Å; V41-T96 WeakPolarHBondContact O-CA 3.44Å; V41-I97 HydrophobicContact CB-CB 4.37Å; V41-I97 PolarHBondContact N-O 2.83Å; V41-I97 PolarHBondContact O-N 3.28Å; V41-L100 HydrophobicContact CG2-CD1 4.22Å; V41-L100 HydrophobicContact CG2-CD2 4.35Å
42	T	98.6	Very high	97.7	Very high	55 Å²	55	74.6 Å²	74.6	34%	0.337	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.5	170.5	-62.5	0	0	0	0	110.3	L95 T96	T42-L95 CarbonylContact C-O 3.55Å; T42-L95 VanDerWaalsContact CA-O 3.3Å; T42-L95 WeakPolarHBondContact CA-O 3.33Å; T42-T96 PolarHBondContact OG1-OG1 3.06Å; T42-T96 VanDerWaalsContact OG1-OG1 3.11Å
43	I	98.7	Very high	97.7	Very high	15 Å²	15	72.8 Å²	72.8	8%	0.077	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.8	174	-55.4	172.6	0	0	0	107	M33 V41 W57 S94 L95 Y108	M33-I43 HydrophobicContact CE-CG1 3.92Å; V41-I43 HydrophobicContact CG1-CG1 4.27Å; I43-W57 HydrophobicContact CB-CH2 4.36Å; I43-W57 HydrophobicContact CB-CZ3 4.4Å; I43-W57 HydrophobicContact CG2-CH2 4.01Å; I43-W57 HydrophobicContact CG2-CZ3 3.95Å; I43-S94 CarbonylContact O-C 3.57Å; I43-S94 WeakPolarHBondContact O-CA 3.36Å; I43-S94 WeakPolarHBondContact O-CB 3.36Å; I43-L95 PolarHBondContact N-O 2.84Å; I43-L95 PolarHBondContact O-N 2.73Å; I43-Y108 HydrophobicContact CD1-CD1 4.47Å; I43-Y108 HydrophobicContact CD1-CD2 3.83Å; I43-Y108 HydrophobicContact CD1-CG 3.74Å
44	T	98.8	Very high	97.7	Very high	65 Å²	65	73.3 Å²	73.3	40%	0.399	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	152.9	176.5	63.1	0	0	0	0	111.2	Q28 S29 Y93	Q28-T44 VanDerWaalsContact CA-O 3.25Å; Q28-T44 WeakPolarHBondContact CA-O 3.43Å; S29-T44 PolarHBondContact N-O 3.43Å; S29-T44 PolarHBondContact O-N 3.03Å; S29-T44 PolarHBondContact O-OG1 3.44Å; T44-Y93 CarbonylContact C-O 3.52Å; T44-Y93 WeakPolarHBondContact CA-O 3.34Å
45	C	98.8	Very high	97.7	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.014	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	127.3	173.7	178	0	0	0	0	109.4	M26 T27 Q28 W57 Y93 C110	M26-C45 WeakPolarHBondContact CE-SG 3.4Å; T27-C45 CarbonylContact O-C 3.58Å; T27-C45 WeakPolarHBondContact O-CA 3.47Å; Q28-C45 HydrophobicContact CG-CB 4.03Å; C45-W57 HydrophobicContact CB-CH2 3.55Å; C45-W57 HydrophobicContact CB-CZ2 3.76Å; C45-W57 HydrophobicContact CB-CZ3 4.44Å; C45-Y93 PolarHBondContact N-O 2.61Å; C45-Y93 PolarHBondContact O-N 3.17Å; C45-C110 HydrophobicContact CB-CB 3.54Å; C45-C110 WeakPolarHBondContact CB-SG 3.42Å; C45-C110 WeakPolarHBondContact SG-CB 3.39Å; C45-C110 CovalentContact SG-SG 2.02Å; C45-C110 PolarHBondContact SG-SG 2.78Å
46	K	98.6	Very high	97.8	Very high	107 Å²	107	61 Å²	61	47%	0.465	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.6	179.7	-175.9	168.7	-173.9	168.3	0	111	M26 T27 Q91	M26-K46 CarbonylContact C-O 3.22Å; M26-K46 WeakPolarHBondContact CA-O 3.42Å; T27-K46 PolarHBondContact N-O 2.74Å; T27-K46 PolarHBondContact O-N 2.97Å; K46-Q91 CarbonylContact C-O 3.5Å; K46-Q91 VanDerWaalsContact CA-O 3.25Å; K46-Q91 WeakPolarHBondContact CA-O 3.19Å
47	A	97.7	Very high	97.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	148.4	169.5	0	0	0	0	0	110.4	I24 K25 M26 Q49 I51 Q91	I24-A47 HydrophobicContact CG2-CB 4.11Å; K25-A47 CarbonylContact O-C 3.56Å; K25-A47 WeakPolarHBondContact O-CA 3.44Å; M26-A47 HydrophobicContact CE-CB 3.81Å; M26-A47 HydrophobicContact SD-CB 3.75Å; A47-Q49 VanDerWaalsContact CB-O 3.23Å; A47-Q49 WeakPolarHBondContact CB-O 3.36Å; A47-Q49 PolarHBondContact O-N 3.42Å; A47-I51 HydrophobicContact CB-CD1 4.02Å; A47-I51 HydrophobicContact CB-CG1 4.29Å; A47-I51 HydrophobicContact CB-CG2 4.21Å; A47-Q91 PolarHBondContact N-O 2.87Å
48	S	96.4	Very high	97.9	Very high	59 Å²	59	54.3 Å²	54.3	41%	0.413	28%	0.276	S	S	.	.	S	Bend	trans	-75.2	-11.5	174.4	61.8	0	0	0	0	113.8	K25	K25-S48 PolarHBondContact N-OG 2.92Å; K25-S48 PolarHBondContact O-N 3.11Å
49	Q	94.8	Very high	97.9	Very high	71 Å²	71	53 Å²	53	33%	0.332	26%	0.258	S	S	.	.	S	Bend	trans	-145.6	162.6	-178.4	-58.5	-172	58.4	0	0	109.3	C22 I24 A47 I51 Q91	C22-Q49 PolarHBondContact O-NE2 2.87Å; I24-Q49 HydrophobicContact CD1-CB 4.27Å; I24-Q49 HydrophobicContact CG1-CB 4.29Å; I24-Q49 HydrophobicContact CG1-CG 4.47Å; A47-Q49 VanDerWaalsContact CB-O 3.23Å; A47-Q49 WeakPolarHBondContact CB-O 3.36Å; A47-Q49 PolarHBondContact O-N 3.42Å; Q49-I51 PolarHBondContact O-N 2.92Å; Q49-Q91 VanDerWaalsContact C-CG 3.44Å; Q49-Q91 WeakPolarHBondContact O-CG 3.39Å
50	D	96.3	Very high	97.9	Very high	100 Å²	100	51.3 Å²	51.3	54%	0.535	25%	0.25	S	C	.	.			trans	-67.5	117.4	176.8	-177.7	-12.2	0	0	0	111.1	K52 G90	D50-K52 WeakPolarHBondContact OD1-CA 3.37Å; D50-K52 PolarHBondContact OD1-N 3.04Å; D50-G90 WeakPolarHBondContact CA-O 3.37Å; D50-G90 VanDerWaalsContact OD1-CA 3.31Å; D50-G90 WeakPolarHBondContact OD1-CA 3.25Å
51	I	96.5	Very high	97.9	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	23%	0.233	C	C	.	.			trans	-110	17.4	176.1	67.1	178.6	0	0	0	112.5	I24 M26 A47 Q49 S53 Y54 L55 G90 Y93 Q112	I24-I51 HydrophobicContact CD1-CG2 3.52Å; I24-I51 HydrophobicContact CG2-CG2 3.99Å; M26-I51 HydrophobicContact CE-CD1 4.01Å; M26-I51 HydrophobicContact SD-CD1 4.46Å; A47-I51 HydrophobicContact CB-CD1 4.02Å; A47-I51 HydrophobicContact CB-CG1 4.29Å; A47-I51 HydrophobicContact CB-CG2 4.21Å; Q49-I51 PolarHBondContact O-N 2.92Å; I51-S53 PolarHBondContact O-N 3.18Å; I51-Y54 WeakPolarHBondContact O-CB 3.27Å; I51-Y54 WeakPolarHBondContact O-CD2 3.36Å; I51-Y54 PolarHBondContact O-N 3.38Å; I51-L55 HydrophobicContact CD1-CB 4.07Å; I51-L55 HydrophobicContact CD1-CD1 4Å; I51-G90 PolarHBondContact N-O 2.89Å; I51-Y93 HydrophobicContact CD1-CE2 3.73Å; I51-Y93 HydrophobicContact CG1-CE2 3.73Å; I51-Y93 WeakPolarHBondContact CG1-OH 3.44Å; I51-Q112 HydrophobicContact CD1-CB 3.46Å; I51-Q112 VanDerWaalsContact CD1-CB 3.46Å; I51-Q112 HydrophobicContact CG2-CB 4.19Å
52	K	97	Very high	97.8	Very high	135 Å²	135	50.4 Å²	50.4	59%	0.587	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	-106.5	-177.8	-59.8	176.7	-177.4	170.4	0	112	D50 Y54 S89 G90 Y93	D50-K52 WeakPolarHBondContact OD1-CA 3.37Å; D50-K52 PolarHBondContact OD1-N 3.04Å; K52-Y54 HydrophobicContact CB-CD2 4.2Å; K52-Y54 HydrophobicContact CB-CE2 4.33Å; K52-Y54 HydrophobicContact CD-CE2 3.99Å; K52-S89 CarbonylContact O-C 3.59Å; K52-S89 VanDerWaalsContact O-CA 3.29Å; K52-S89 WeakPolarHBondContact O-CA 3.41Å; K52-G90 PolarHBondContact O-N 3.34Å; K52-Y93 PolarHBondContact O-OH 3.49Å
53	S	97.5	Very high	97.7	Very high	51 Å²	51	60.1 Å²	60.1	36%	0.357	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	12.3	173.4	-57.5	0	0	0	0	111.5	I51 L55 Y72 A73	I51-S53 PolarHBondContact O-N 3.18Å; S53-L55 PolarHBondContact O-N 2.76Å; S53-Y72 CarbonylContact O-C 3.58Å; S53-Y72 WeakPolarHBondContact O-CA 3.45Å; S53-A73 PolarHBondContact O-N 3.45Å
54	Y	97.4	Very high	97.7	Very high	90 Å²	90	66.1 Å²	66.1	35%	0.353	32%	0.315	S	S	.	.			trans	-78.7	59.4	-177.7	-59.8	-61.8	0	0	0	111.5	I51 K52 Y72 Q112 H113	I51-Y54 WeakPolarHBondContact O-CB 3.27Å; I51-Y54 WeakPolarHBondContact O-CD2 3.36Å; I51-Y54 PolarHBondContact O-N 3.38Å; K52-Y54 HydrophobicContact CB-CD2 4.2Å; K52-Y54 HydrophobicContact CB-CE2 4.33Å; K52-Y54 HydrophobicContact CD-CE2 3.99Å; Y54-Y72 HydrophobicContact CD1-CD1 4.26Å; Y54-Y72 AromaticContact CD1-CE1 3.74Å; Y54-Y72 HydrophobicContact CD1-CE1 3.74Å; Y54-Y72 AromaticContact CE1-CE1 3.76Å; Y54-Y72 HydrophobicContact CE1-CE1 3.76Å; Y54-Q112 CarbonylContact O-C 3.56Å; Y54-Q112 WeakPolarHBondContact O-CA 3.35Å; Y54-H113 WeakPolarHBondContact CA-NE2 3.29Å; Y54-H113 AromaticContact CD1-CD2 3.86Å; Y54-H113 AromaticContact CD1-NE2 3.82Å; Y54-H113 PolarHBondContact O-N 3.24Å; Y54-H113 PolarHBondContact O-ND1 3.15Å
55	L	98.4	Very high	97.6	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139	175.1	-173.9	140.4	0	0	0	110.6	M26 I51 S53 W57 Y72 A73 Y93 C110 L111 H113	M26-L55 HydrophobicContact CE-CD1 3.76Å; I51-L55 HydrophobicContact CD1-CB 4.07Å; I51-L55 HydrophobicContact CD1-CD1 4Å; S53-L55 PolarHBondContact O-N 2.76Å; L55-W57 HydrophobicContact CD2-CD2 4.35Å; L55-W57 HydrophobicContact CD2-CG 4.24Å; L55-W57 VanDerWaalsContact CD2-NE1 3.35Å; L55-Y72 PolarHBondContact O-N 2.85Å; L55-A73 PolarHBondContact O-N 2.82Å; L55-Y93 HydrophobicContact CB-CD1 4.09Å; L55-Y93 HydrophobicContact CB-CE1 4.01Å; L55-Y93 HydrophobicContact CB-CG 4.44Å; L55-Y93 HydrophobicContact CD1-CD1 4.1Å; L55-Y93 HydrophobicContact CD1-CD2 3.56Å; L55-Y93 HydrophobicContact CD1-CE2 4.02Å; L55-Y93 HydrophobicContact CD1-CG 3.6Å; L55-Y93 HydrophobicContact CD2-CD1 4.34Å; L55-Y93 HydrophobicContact CD2-CG 4.34Å; L55-Y93 HydrophobicContact CG-CD1 4.41Å; L55-Y93 HydrophobicContact CG-CG 4.35Å; L55-C110 HydrophobicContact CD1-CB 4Å; L55-C110 HydrophobicContact CD2-CB 4.28Å; L55-C110 HydrophobicContact CG-CB 4.31Å; L55-L111 CarbonylContact C-O 3.51Å; L55-L111 WeakPolarHBondContact CA-O 3.48Å; L55-H113 PolarHBondContact N-CE1 2.73Å
56	S	98.7	Very high	97.6	Very high	9 Å²	9	70.2 Å²	70.2	6%	0.063	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.3	173.1	-61.1	0	0	0	0	110.6	I70 C110 L111 H113	S56-I70 CarbonylContact C-O 3.6Å; S56-I70 WeakPolarHBondContact CA-O 3.3Å; S56-I70 WeakPolarHBondContact CB-O 3.43Å; S56-C110 CarbonylContact O-C 3.58Å; S56-C110 WeakPolarHBondContact O-CA 3.26Å; S56-L111 PolarHBondContact N-O 2.9Å; S56-L111 PolarHBondContact O-N 3.43Å; S56-H113 PolarHBondContact OG-CE1 2.97Å
57	W	98.8	Very high	97.6	Very high	0 Å²	0	72 Å²	72	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.6	173.6	-71.3	98.8	0	0	0	110.6	I43 C45 L55 L69 I70 L95 Y109 C110	I43-W57 HydrophobicContact CB-CH2 4.36Å; I43-W57 HydrophobicContact CB-CZ3 4.4Å; I43-W57 HydrophobicContact CG2-CH2 4.01Å; I43-W57 HydrophobicContact CG2-CZ3 3.95Å; C45-W57 HydrophobicContact CB-CH2 3.55Å; C45-W57 HydrophobicContact CB-CZ2 3.76Å; C45-W57 HydrophobicContact CB-CZ3 4.44Å; L55-W57 HydrophobicContact CD2-CD2 4.35Å; L55-W57 HydrophobicContact CD2-CG 4.24Å; L55-W57 VanDerWaalsContact CD2-NE1 3.35Å; W57-L69 HydrophobicContact CB-CB 4.45Å; W57-L69 PolarHBondContact O-N 2.91Å; W57-I70 HydrophobicContact CB-CB 4.17Å; W57-I70 PolarHBondContact N-O 2.9Å; W57-I70 PolarHBondContact O-N 3.17Å; W57-L95 HydrophobicContact CB-CD1 4.36Å; W57-L95 HydrophobicContact CB-CD2 4.35Å; W57-L95 HydrophobicContact CD2-CB 3.57Å; W57-L95 HydrophobicContact CD2-CD2 4.1Å; W57-L95 HydrophobicContact CD2-CG 4.29Å; W57-L95 HydrophobicContact CE3-CB 3.82Å; W57-L95 HydrophobicContact CE3-CD2 3.87Å; W57-L95 HydrophobicContact CE3-CG 4.45Å; W57-L95 HydrophobicContact CG-CB 4.06Å; W57-L95 HydrophobicContact CG-CD1 4.2Å; W57-L95 HydrophobicContact CG-CD2 4.32Å; W57-L95 HydrophobicContact CG-CG 4.44Å; W57-L95 HydrophobicContact CH2-CB 4Å; W57-L95 HydrophobicContact CZ2-CB 3.79Å; W57-L95 HydrophobicContact CZ3-CB 4.01Å; W57-L95 HydrophobicContact CZ3-CD2 4.45Å; W57-Y109 CarbonylContact C-O 3.6Å; W57-Y109 WeakPolarHBondContact CA-O 3.38Å; W57-C110 HydrophobicContact CD2-CB 4.32Å; W57-C110 HydrophobicContact CE3-CB 4.06Å; W57-C110 HydrophobicContact CH2-CB 4.13Å; W57-C110 HydrophobicContact CZ2-CB 4.35Å; W57-C110 HydrophobicContact CZ3-CB 3.97Å
58	Y	98.7	Very high	97.6	Very high	58 Å²	58	74.6 Å²	74.6	23%	0.227	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.7	179.1	-68.8	-97.1	0	0	0	111.2	P66 K67 T68 Y108 Y109 L111	Y58-P66 HydrophobicContact CD1-CB 4.06Å; Y58-K67 CarbonylContact C-O 3.59Å; Y58-K67 VanDerWaalsContact CA-O 3.24Å; Y58-K67 WeakPolarHBondContact CA-O 2.95Å; Y58-T68 HydrophobicContact CE1-CG2 4.48Å; Y58-T68 WeakPolarHBondContact CE1-OG1 3.33Å; Y58-Y108 CarbonylContact O-C 3.59Å; Y58-Y108 VanDerWaalsContact O-CA 3.29Å; Y58-Y108 WeakPolarHBondContact O-CA 3.25Å; Y58-Y109 PolarHBondContact N-O 2.93Å; Y58-Y109 PolarHBondContact O-N 2.78Å; Y58-L111 HydrophobicContact CD2-CB 4.2Å; Y58-L111 HydrophobicContact CE2-CB 3.82Å; Y58-L111 HydrophobicContact CE2-CD2 3.74Å; Y58-L111 HydrophobicContact CE2-CG 4.44Å
59	Q	98.7	Very high	97.7	Very high	17 Å²	17	72.2 Å²	72.2	8%	0.079	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.5	169	-171.8	-172.2	69.6	0	0	109.5	K61 P66 K67 L69 A106 Y108	Q59-K61 VanDerWaalsContact OE1-CE 3.29Å; Q59-P66 WeakPolarHBondContact O-CA 3.25Å; Q59-K67 PolarHBondContact N-O 2.83Å; Q59-K67 PolarHBondContact O-N 2.83Å; Q59-L69 HydrophobicContact CB-CD1 3.85Å; Q59-L69 HydrophobicContact CB-CD2 4.07Å; Q59-L69 HydrophobicContact CB-CG 3.9Å; Q59-A106 HydrophobicContact CG-CB 3.36Å; Q59-Y108 HydrophobicContact CB-CD1 4.37Å; Q59-Y108 HydrophobicContact CB-CE1 4.12Å; Q59-Y108 HydrophobicContact CG-CD1 4.43Å; Q59-Y108 HydrophobicContact CG-CE1 3.87Å; Q59-Y108 PolarHBondContact NE2-OH 3Å
60	Q	98.6	Very high	97.9	Very high	59 Å²	59	68.9 Å²	68.9	28%	0.276	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	109.2	173.5	-169.3	-178.6	23	0	0	110.4	K64 P66 A106 T107 Y109	Q60-K64 WeakPolarHBondContact CG-O 3.21Å; Q60-K64 PolarHBondContact NE2-O 3.38Å; Q60-P66 HydrophobicContact CB-CB 4.45Å; Q60-P66 HydrophobicContact CB-CG 4.32Å; Q60-P66 HydrophobicContact CG-CG 4.15Å; Q60-A106 WeakPolarHBondContact O-CB 3.33Å; Q60-T107 PolarHBondContact N-O 2.92Å; Q60-T107 PolarHBondContact O-N 2.85Å; Q60-Y109 HydrophobicContact CB-CD2 4.36Å; Q60-Y109 HydrophobicContact CB-CE2 3.75Å; Q60-Y109 PolarHBondContact OE1-OH 2.97Å
61	K	97.8	Very high	98	Very high	65 Å²	65	68.8 Å²	68.8	28%	0.283	33%	0.329	S	S	.	.			trans	-78.1	154.4	170.4	-64.4	-174.8	-177.6	-169.3	0	110.1	Q59 W63 K64 D103 A106	Q59-K61 VanDerWaalsContact OE1-CE 3.29Å; K61-W63 PolarHBondContact O-N 3.05Å; K61-K64 HydrophobicContact CB-CB 4.25Å; K61-K64 HydrophobicContact CB-CG 4.16Å; K61-K64 PolarHBondContact O-N 2.83Å; K61-D103 WeakPolarHBondContact CE-O 3.36Å; K61-D103 PolarHBondContact NZ-O 2.63Å; K61-D103 IonicContact NZ-OD2 3.52Å; K61-D103 PolarHBondContact NZ-OD2 3.28Å; K61-A106 HydrophobicContact CG-CB 4.19Å
62	P	97.5	Very high	98.1	Very high	96 Å²	96	74.4 Å²	74.4	62%	0.623	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	130.2	177.3	-27.8	35.1	0	0	0	112	K64	P62-K64 PolarHBondContact O-N 3.49Å; P62-K64 VanDerWaalsContact O-N 3.14Å
63	W	96.7	Very high	98.2	Very high	259 Å²	259	68 Å²	68	98%	0.981	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	18.2	178.5	-43.6	107.1	0	0	0	115.5	K61	K61-W63 PolarHBondContact O-N 3.05Å
64	K	97.6	Very high	98.2	Very high	142 Å²	142	69.4 Å²	69.4	62%	0.617	33%	0.329	S	S	*	.	S	Bend	trans	-115.5	156.2	175.1	-60.8	-63.2	-175.6	-178.3	0	110.7	Q60 K61 P62	Q60-K64 WeakPolarHBondContact CG-O 3.21Å; Q60-K64 PolarHBondContact NE2-O 3.38Å; K61-K64 HydrophobicContact CB-CB 4.25Å; K61-K64 HydrophobicContact CB-CG 4.16Å; K61-K64 PolarHBondContact O-N 2.83Å; P62-K64 PolarHBondContact O-N 3.49Å; P62-K64 VanDerWaalsContact O-N 3.14Å
65	S	97.6	Very high	98.3	Very high	88 Å²	88	67.2 Å²	67.2	62%	0.615	33%	0.327	S	S	*	.			trans	-66.6	148.3	168.4	52.1	0	0	0	0	110.6
66	P	98.1	Very high	98.3	Very high	65 Å²	65	70.2 Å²	70.2	42%	0.422	34%	0.343	S	S	.	.			trans	-58.2	139.1	171.1	-22.8	33.5	0	0	0	111.5	Y58 Q59 Q60	Y58-P66 HydrophobicContact CD1-CB 4.06Å; Q59-P66 WeakPolarHBondContact O-CA 3.25Å; Q60-P66 HydrophobicContact CB-CB 4.45Å; Q60-P66 HydrophobicContact CB-CG 4.32Å; Q60-P66 HydrophobicContact CG-CG 4.15Å
67	K	98.4	Very high	98.3	Very high	145 Å²	145	70.8 Å²	70.8	63%	0.63	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	137.8	172.3	-65.8	-173.8	177.3	-171.7	0	109.7	Y58 Q59 L69	Y58-K67 CarbonylContact C-O 3.59Å; Y58-K67 VanDerWaalsContact CA-O 3.24Å; Y58-K67 WeakPolarHBondContact CA-O 2.95Å; Q59-K67 PolarHBondContact N-O 2.83Å; Q59-K67 PolarHBondContact O-N 2.83Å; K67-L69 PolarHBondContact O-N 3.36Å
68	T	98.6	Very high	98.3	Very high	54 Å²	54	78.7 Å²	78.7	33%	0.331	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	130.2	174.1	-47.7	0	0	0	0	109.7	Y58 A77	Y58-T68 HydrophobicContact CE1-CG2 4.48Å; Y58-T68 WeakPolarHBondContact CE1-OG1 3.33Å; T68-A77 HydrophobicContact CG2-CB 4.16Å
69	L	98.8	Very high	98.3	Very high	9 Å²	9	80 Å²	80	5%	0.047	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-49	169.5	-67.1	179	0	0	0	110.9	W57 Q59 K67 A77 V80 F84 L95 Y108	W57-L69 HydrophobicContact CB-CB 4.45Å; W57-L69 PolarHBondContact O-N 2.91Å; Q59-L69 HydrophobicContact CB-CD1 3.85Å; Q59-L69 HydrophobicContact CB-CD2 4.07Å; Q59-L69 HydrophobicContact CB-CG 3.9Å; K67-L69 PolarHBondContact O-N 3.36Å; L69-A77 PolarHBondContact O-N 3.15Å; L69-V80 HydrophobicContact CB-CG1 4.49Å; L69-V80 HydrophobicContact CD2-CG1 3.92Å; L69-V80 HydrophobicContact CD2-CG2 4.29Å; L69-F84 HydrophobicContact CD1-CD1 3.78Å; L69-F84 HydrophobicContact CD1-CE1 3.73Å; L69-F84 HydrophobicContact CD2-CD1 4.37Å; L69-F84 HydrophobicContact CD2-CE1 4.24Å; L69-F84 HydrophobicContact CD2-CZ 4.32Å; L69-L95 HydrophobicContact CD1-CD2 4.1Å; L69-Y108 HydrophobicContact CD1-CD1 3.89Å; L69-Y108 HydrophobicContact CD1-CE1 3.68Å
70	I	98.8	Very high	98.2	Very high	0 Å²	0	80.4 Å²	80.4	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	140.3	-172.3	-59.5	-174.1	0	0	0	108.8	S56 W57 S75 L76 L95	S56-I70 CarbonylContact C-O 3.6Å; S56-I70 WeakPolarHBondContact CA-O 3.3Å; S56-I70 WeakPolarHBondContact CB-O 3.43Å; W57-I70 HydrophobicContact CB-CB 4.17Å; W57-I70 PolarHBondContact N-O 2.9Å; W57-I70 PolarHBondContact O-N 3.17Å; I70-S75 CarbonylContact C-O 3.24Å; I70-S75 WeakPolarHBondContact CA-O 3.21Å; I70-S75 WeakPolarHBondContact CG2-O 3.19Å; I70-L76 HydrophobicContact CD1-CD2 4.26Å; I70-L76 HydrophobicContact CG1-CD2 3.93Å; I70-L95 HydrophobicContact CD1-CD1 3.6Å; I70-L95 HydrophobicContact CG1-CD1 4.35Å
71	Y	98.4	Very high	98.2	Very high	99 Å²	99	80.2 Å²	80.2	39%	0.388	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	163	171.6	68.4	-81.6	0	0	0	109.7	A73 T74 S75 L76	Y71-A73 PolarHBondContact O-N 2.77Å; Y71-A73 VanDerWaalsContact O-N 3.17Å; Y71-T74 PolarHBondContact O-N 3.37Å; Y71-S75 VanDerWaalsContact CD1-O 3.26Å; Y71-S75 WeakPolarHBondContact CD1-O 3.26Å; Y71-S75 PolarHBondContact N-O 2.85Å; Y71-S75 WeakPolarHBondContact O-CB 3.47Å; Y71-S75 PolarHBondContact O-N 2.86Å; Y71-L76 WeakPolarHBondContact CE1-O 3.41Å
72	Y	98.1	Very high	98.2	Very high	122 Å²	122	82.5 Å²	82.5	48%	0.478	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	41.7	-172.2	-71.8	-63.6	0	0	0	113.9	S53 Y54 L55 T74	S53-Y72 CarbonylContact O-C 3.58Å; S53-Y72 WeakPolarHBondContact O-CA 3.45Å; Y54-Y72 HydrophobicContact CD1-CD1 4.26Å; Y54-Y72 AromaticContact CD1-CE1 3.74Å; Y54-Y72 HydrophobicContact CD1-CE1 3.74Å; Y54-Y72 AromaticContact CE1-CE1 3.76Å; Y54-Y72 HydrophobicContact CE1-CE1 3.76Å; L55-Y72 PolarHBondContact O-N 2.85Å; Y72-T74 PolarHBondContact O-N 2.8Å; Y72-T74 PolarHBondContact O-OG1 3.47Å
73	A	98.6	Very high	98.3	Very high	0 Å²	0	79.2 Å²	79.2	0%	0	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	-22.3	-177.4	0	0	0	0	0	117.3	S53 L55 Y71 G86 S87 Y93	S53-A73 PolarHBondContact O-N 3.45Å; L55-A73 PolarHBondContact O-N 2.82Å; Y71-A73 PolarHBondContact O-N 2.77Å; Y71-A73 VanDerWaalsContact O-N 3.17Å; A73-G86 CarbonylContact O-C 3.53Å; A73-G86 VanDerWaalsContact O-C 3.24Å; A73-G86 VanDerWaalsContact O-CA 3.25Å; A73-G86 WeakPolarHBondContact O-CA 3.29Å; A73-S87 PolarHBondContact O-N 3.37Å; A73-Y93 HydrophobicContact CB-CD1 3.78Å; A73-Y93 HydrophobicContact CB-CE1 3.8Å
74	T	98.7	Very high	98.4	Very high	81 Å²	81	67 Å²	67	50%	0.497	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.9	-22.9	-167.8	56.1	0	0	0	0	114.3	Y71 Y72	Y71-T74 PolarHBondContact O-N 3.37Å; Y72-T74 PolarHBondContact O-N 2.8Å; Y72-T74 PolarHBondContact O-OG1 3.47Å
75	S	98.7	Very high	98.4	Very high	44 Å²	44	62.8 Å²	62.8	31%	0.308	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	122.7	-174.6	-60.8	0	0	0	0	111	I70 Y71	I70-S75 CarbonylContact C-O 3.24Å; I70-S75 WeakPolarHBondContact CA-O 3.21Å; I70-S75 WeakPolarHBondContact CG2-O 3.19Å; Y71-S75 VanDerWaalsContact CD1-O 3.26Å; Y71-S75 WeakPolarHBondContact CD1-O 3.26Å; Y71-S75 PolarHBondContact N-O 2.85Å; Y71-S75 WeakPolarHBondContact O-CB 3.47Å; Y71-S75 PolarHBondContact O-N 2.86Å
76	L	98.8	Very high	98.5	Very high	63 Å²	63	59.3 Å²	59.3	33%	0.33	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	137.4	175.8	-74.2	163.9	0	0	0	110.7	I70 Y71 V80 F84	I70-L76 HydrophobicContact CD1-CD2 4.26Å; I70-L76 HydrophobicContact CG1-CD2 3.93Å; Y71-L76 WeakPolarHBondContact CE1-O 3.41Å; L76-V80 HydrophobicContact CD2-CB 4.09Å; L76-V80 HydrophobicContact CD2-CG1 3.62Å; L76-F84 HydrophobicContact CD2-CB 3.84Å; L76-F84 WeakPolarHBondContact CD2-O 3.22Å
77	A	98.7	Very high	98.5	Very high	20 Å²	20	58.9 Å²	58.9	17%	0.165	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-71.1	158.1	169	0	0	0	0	0	111	T68 L69 G79 V80	T68-A77 HydrophobicContact CG2-CB 4.16Å; L69-A77 PolarHBondContact O-N 3.15Å; A77-G79 PolarHBondContact O-N 2.81Å; A77-V80 HydrophobicContact CB-CG2 3.92Å; A77-V80 WeakPolarHBondContact O-CB 3.37Å; A77-V80 VanDerWaalsContact O-CG2 3.29Å; A77-V80 WeakPolarHBondContact O-CG2 3.38Å; A77-V80 PolarHBondContact O-N 3.26Å; A77-V80 VanDerWaalsContact O-N 3.15Å
78	D	98.2	Very high	98.5	Very high	167 Å²	167	53.5 Å²	53.5	89%	0.893	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	132.4	-177.6	-67.1	-21.4	0	0	0	112	V80	D78-V80 VanDerWaalsContact C-N 3.26Å; D78-V80 PolarHBondContact O-N 2.83Å
79	G	97.9	Very high	98.5	Very high	84 Å²	84	54.8 Å²	54.8	87%	0.866	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	1.8	179.5	0	0	0	0	0	115.3	A77	A77-G79 PolarHBondContact O-N 2.81Å
80	V	98.5	Very high	98.4	Very high	26 Å²	26	55 Å²	55	16%	0.158	35%	0.348	C	S	.	.			trans	-77.1	126.3	174.5	-178.5	0	0	0	0	109.6	L69 L76 A77 D78 F84	L69-V80 HydrophobicContact CB-CG1 4.49Å; L69-V80 HydrophobicContact CD2-CG1 3.92Å; L69-V80 HydrophobicContact CD2-CG2 4.29Å; L76-V80 HydrophobicContact CD2-CB 4.09Å; L76-V80 HydrophobicContact CD2-CG1 3.62Å; A77-V80 HydrophobicContact CB-CG2 3.92Å; A77-V80 WeakPolarHBondContact O-CB 3.37Å; A77-V80 VanDerWaalsContact O-CG2 3.29Å; A77-V80 WeakPolarHBondContact O-CG2 3.38Å; A77-V80 PolarHBondContact O-N 3.26Å; A77-V80 VanDerWaalsContact O-N 3.15Å; D78-V80 VanDerWaalsContact C-N 3.26Å; D78-V80 PolarHBondContact O-N 2.83Å; V80-F84 HydrophobicContact CG1-CB 3.93Å; V80-F84 HydrophobicContact CG1-CD2 3.68Å; V80-F84 HydrophobicContact CG1-CE2 4.45Å; V80-F84 HydrophobicContact CG1-CG 3.96Å
81	P	98.4	Very high	98.4	Very high	55 Å²	55	58.9 Å²	58.9	36%	0.357	37%	0.366	S	S	.	.			trans	-59.9	145.3	179.7	-26	36	0	0	0	112.9	R83 F84	P81-R83 HydrophobicContact CB-CG 4.14Å; P81-R83 PolarHBondContact O-N 2.95Å; P81-F84 HydrophobicContact CB-CD2 4.38Å; P81-F84 HydrophobicContact CG-CE2 4.48Å; P81-F84 WeakPolarHBondContact O-CD2 3.15Å; P81-F84 PolarHBondContact O-N 2.93Å; P81-F84 VanDerWaalsContact O-N 3.09Å
82	S	98.2	Very high	98.4	Very high	114 Å²	114	58.8 Å²	58.8	80%	0.797	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-5.2	-178.1	61.4	0	0	0	0	114.8	F84	S82-F84 PolarHBondContact O-N 3.3Å
83	R	98.5	Very high	98.4	Very high	26 Å²	26	53.3 Å²	53.3	10%	0.098	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-23.5	170.6	72.6	-179.4	179.3	-101.3	0.8	112.3	P81 I97 S98 S99 E101 D103 D104	P81-R83 HydrophobicContact CB-CG 4.14Å; P81-R83 PolarHBondContact O-N 2.95Å; R83-I97 HydrophobicContact CG-CG2 4.28Å; R83-I97 CarbonylContact O-C 3.54Å; R83-I97 WeakPolarHBondContact O-CA 3.4Å; R83-S98 WeakPolarHBondContact CA-OG 3.05Å; R83-S98 PolarHBondContact O-N 3.14Å; R83-S98 PolarHBondContact O-OG 3.44Å; R83-S99 WeakPolarHBondContact CD-O 3.24Å; R83-E101 IonicContact CZ-OE1 3.43Å; R83-E101 IonicContact CZ-OE2 3.7Å; R83-E101 VanDerWaalsContact CZ-OE2 3.28Å; R83-E101 IonicContact NE-OE1 3.44Å; R83-E101 IonicContact NH1-OE1 3.75Å; R83-E101 PolarHBondContact NH1-OE1 3.36Å; R83-E101 IonicContact NH1-OE2 3.52Å; R83-E101 PolarHBondContact NH1-OE2 2.99Å; R83-E101 IonicContact NH2-OE2 2.74Å; R83-D103 IonicContact CZ-OD1 3.71Å; R83-D103 IonicContact NH2-OD1 3.61Å; R83-D103 PolarHBondContact NH2-OD1 3.31Å; R83-D103 IonicContact NH2-OD2 2.97Å; R83-D104 IonicContact CZ-OD1 2.82Å; R83-D104 IonicContact CZ-OD2 3.45Å; R83-D104 IonicContact NE-OD1 3.28Å; R83-D104 PolarHBondContact NE-OD1 2.9Å; R83-D104 IonicContact NE-OD2 3.98Å; R83-D104 PolarHBondContact NE-OD2 2.86Å; R83-D104 IonicContact NH2-OD1 3.03Å; R83-D104 PolarHBondContact NH2-OD1 2.86Å; R83-D104 IonicContact NH2-OD2 2.82Å
84	F	98.8	Very high	98.4	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.018	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	138.9	172.7	-66.1	-87.1	0	0	0	110.1	L69 L76 V80 P81 S82 L95 T96 I97 D104 Y108	L69-F84 HydrophobicContact CD1-CD1 3.78Å; L69-F84 HydrophobicContact CD1-CE1 3.73Å; L69-F84 HydrophobicContact CD2-CD1 4.37Å; L69-F84 HydrophobicContact CD2-CE1 4.24Å; L69-F84 HydrophobicContact CD2-CZ 4.32Å; L76-F84 HydrophobicContact CD2-CB 3.84Å; L76-F84 WeakPolarHBondContact CD2-O 3.22Å; V80-F84 HydrophobicContact CG1-CB 3.93Å; V80-F84 HydrophobicContact CG1-CD2 3.68Å; V80-F84 HydrophobicContact CG1-CE2 4.45Å; V80-F84 HydrophobicContact CG1-CG 3.96Å; P81-F84 HydrophobicContact CB-CD2 4.38Å; P81-F84 HydrophobicContact CG-CE2 4.48Å; P81-F84 WeakPolarHBondContact O-CD2 3.15Å; P81-F84 PolarHBondContact O-N 2.93Å; P81-F84 VanDerWaalsContact O-N 3.09Å; S82-F84 PolarHBondContact O-N 3.3Å; F84-L95 HydrophobicContact CD1-CD1 4.44Å; F84-T96 CarbonylContact C-O 3.45Å; F84-T96 WeakPolarHBondContact CA-O 3.43Å; F84-I97 HydrophobicContact CD1-CD1 4.29Å; F84-I97 HydrophobicContact CD1-CG1 3.8Å; F84-I97 HydrophobicContact CE1-CD1 3.68Å; F84-I97 HydrophobicContact CE1-CG1 3.7Å; F84-I97 HydrophobicContact CE1-CG2 4.49Å; F84-I97 HydrophobicContact CZ-CD1 4.46Å; F84-D104 WeakPolarHBondContact CZ-OD1 3.29Å; F84-Y108 HydrophobicContact CE1-CE1 4.15Å
85	S	98.8	Very high	98.4	Very high	53 Å²	53	50.4 Å²	50.4	37%	0.371	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	145.8	174.4	54.5	0	0	0	0	110.8	L95 T96	S85-L95 CarbonylContact O-C 3.6Å; S85-T96 PolarHBondContact N-O 3.28Å; S85-T96 PolarHBondContact O-N 3.4Å; S85-T96 WeakPolarHBondContact OG-CB 3.21Å; S85-T96 PolarHBondContact OG-O 3.07Å
86	G	98.8	Very high	98.4	Very high	14 Å²	14	48.6 Å²	48.6	14%	0.144	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	149.2	179.8	0	0	0	0	0	109.6	A73 S94	A73-G86 CarbonylContact O-C 3.53Å; A73-G86 VanDerWaalsContact O-C 3.24Å; A73-G86 VanDerWaalsContact O-CA 3.25Å; A73-G86 WeakPolarHBondContact O-CA 3.29Å; G86-S94 CarbonylContact C-O 3.52Å; G86-S94 WeakPolarHBondContact CA-O 3.4Å
87	S	98.6	Very high	98.4	Very high	56 Å²	56	45.7 Å²	45.7	39%	0.392	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	165	173.9	67.3	0	0	0	0	111.2	A73 Y93 S94	A73-S87 PolarHBondContact O-N 3.37Å; S87-Y93 CarbonylContact O-C 3.59Å; S87-Y93 WeakPolarHBondContact O-CA 3.33Å; S87-S94 PolarHBondContact N-O 2.83Å; S87-S94 PolarHBondContact O-N 3.42Å; S87-S94 PolarHBondContact OG-OG 3.32Å
88	G	98.1	Very high	98.4	Very high	33 Å²	33	47.7 Å²	47.7	34%	0.34	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	107.7	167.9	176.5	0	0	0	0	0	114.2	D92	G88-D92 WeakPolarHBondContact CA-O 3.04Å
89	S	97.6	Very high	98.4	Very high	80 Å²	80	42.2 Å²	42.2	56%	0.559	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-164.8	163	-179.2	59.4	0	0	0	0	109.1	K52 Q91 D92	K52-S89 CarbonylContact O-C 3.59Å; K52-S89 VanDerWaalsContact O-CA 3.29Å; K52-S89 WeakPolarHBondContact O-CA 3.41Å; S89-Q91 PolarHBondContact O-N 2.89Å; S89-Q91 VanDerWaalsContact O-N 3.15Å; S89-D92 PolarHBondContact N-O 2.92Å
90	G	97.7	Very high	98.5	Very high	15 Å²	15	39.4 Å²	39.4	16%	0.155	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	-101	-179.8	0	0	0	0	0	111.4	D50 I51 K52 Y93	D50-G90 WeakPolarHBondContact CA-O 3.37Å; D50-G90 VanDerWaalsContact OD1-CA 3.31Å; D50-G90 WeakPolarHBondContact OD1-CA 3.25Å; I51-G90 PolarHBondContact N-O 2.89Å; K52-G90 PolarHBondContact O-N 3.34Å; G90-Y93 PolarHBondContact N-OH 2.9Å; G90-Y93 VanDerWaalsContact N-OH 3.17Å; G90-Y93 PolarHBondContact O-OH 2.93Å
91	Q	97.9	Very high	98.5	Very high	80 Å²	80	42.3 Å²	42.3	37%	0.374	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-21.4	-177.4	-76.9	173.8	70	0	0	113.5	K46 A47 Q49 S89	K46-Q91 CarbonylContact C-O 3.5Å; K46-Q91 VanDerWaalsContact CA-O 3.25Å; K46-Q91 WeakPolarHBondContact CA-O 3.19Å; A47-Q91 PolarHBondContact N-O 2.87Å; Q49-Q91 VanDerWaalsContact C-CG 3.44Å; Q49-Q91 WeakPolarHBondContact O-CG 3.39Å; S89-Q91 PolarHBondContact O-N 2.89Å; S89-Q91 VanDerWaalsContact O-N 3.15Å
92	D	98.7	Very high	98.4	Very high	97 Å²	97	44.2 Å²	44.2	52%	0.519	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.7	-169.1	-59.9	-71.9	0	0	0	110.7	G88 S89	G88-D92 WeakPolarHBondContact CA-O 3.04Å; S89-D92 PolarHBondContact N-O 2.92Å
93	Y	98.8	Very high	98.3	Very high	7 Å²	7	42 Å²	42	3%	0.027	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.4	-175.1	-57.5	-92.8	0	0	0	111	T44 C45 I51 K52 L55 A73 S87 G90	T44-Y93 CarbonylContact C-O 3.52Å; T44-Y93 WeakPolarHBondContact CA-O 3.34Å; C45-Y93 PolarHBondContact N-O 2.61Å; C45-Y93 PolarHBondContact O-N 3.17Å; I51-Y93 HydrophobicContact CD1-CE2 3.73Å; I51-Y93 HydrophobicContact CG1-CE2 3.73Å; I51-Y93 WeakPolarHBondContact CG1-OH 3.44Å; K52-Y93 PolarHBondContact O-OH 3.49Å; L55-Y93 HydrophobicContact CB-CD1 4.09Å; L55-Y93 HydrophobicContact CB-CE1 4.01Å; L55-Y93 HydrophobicContact CB-CG 4.44Å; L55-Y93 HydrophobicContact CD1-CD1 4.1Å; L55-Y93 HydrophobicContact CD1-CD2 3.56Å; L55-Y93 HydrophobicContact CD1-CE2 4.02Å; L55-Y93 HydrophobicContact CD1-CG 3.6Å; L55-Y93 HydrophobicContact CD2-CD1 4.34Å; L55-Y93 HydrophobicContact CD2-CG 4.34Å; L55-Y93 HydrophobicContact CG-CD1 4.41Å; L55-Y93 HydrophobicContact CG-CG 4.35Å; A73-Y93 HydrophobicContact CB-CD1 3.78Å; A73-Y93 HydrophobicContact CB-CE1 3.8Å; S87-Y93 CarbonylContact O-C 3.59Å; S87-Y93 WeakPolarHBondContact O-CA 3.33Å; G90-Y93 PolarHBondContact N-OH 2.9Å; G90-Y93 VanDerWaalsContact N-OH 3.17Å; G90-Y93 PolarHBondContact O-OH 2.93Å
94	S	98.8	Very high	98.3	Very high	18 Å²	18	40.9 Å²	40.9	13%	0.126	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149	170.2	71.7	0	0	0	0	112.9	I43 G86 S87	I43-S94 CarbonylContact O-C 3.57Å; I43-S94 WeakPolarHBondContact O-CA 3.36Å; I43-S94 WeakPolarHBondContact O-CB 3.36Å; G86-S94 CarbonylContact C-O 3.52Å; G86-S94 WeakPolarHBondContact CA-O 3.4Å; S87-S94 PolarHBondContact N-O 2.83Å; S87-S94 PolarHBondContact O-N 3.42Å; S87-S94 PolarHBondContact OG-OG 3.32Å
95	L	98.9	Very high	98.2	Very high	2 Å²	2	46 Å²	46	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.6	165.4	176	67.3	0	0	0	107.6	T42 I43 W57 L69 I70 F84 S85 Y108	T42-L95 CarbonylContact C-O 3.55Å; T42-L95 VanDerWaalsContact CA-O 3.3Å; T42-L95 WeakPolarHBondContact CA-O 3.33Å; I43-L95 PolarHBondContact N-O 2.84Å; I43-L95 PolarHBondContact O-N 2.73Å; W57-L95 HydrophobicContact CB-CD1 4.36Å; W57-L95 HydrophobicContact CB-CD2 4.35Å; W57-L95 HydrophobicContact CD2-CB 3.57Å; W57-L95 HydrophobicContact CD2-CD2 4.1Å; W57-L95 HydrophobicContact CD2-CG 4.29Å; W57-L95 HydrophobicContact CE3-CB 3.82Å; W57-L95 HydrophobicContact CE3-CD2 3.87Å; W57-L95 HydrophobicContact CE3-CG 4.45Å; W57-L95 HydrophobicContact CG-CB 4.06Å; W57-L95 HydrophobicContact CG-CD1 4.2Å; W57-L95 HydrophobicContact CG-CD2 4.32Å; W57-L95 HydrophobicContact CG-CG 4.44Å; W57-L95 HydrophobicContact CH2-CB 4Å; W57-L95 HydrophobicContact CZ2-CB 3.79Å; W57-L95 HydrophobicContact CZ3-CB 4.01Å; W57-L95 HydrophobicContact CZ3-CD2 4.45Å; L69-L95 HydrophobicContact CD1-CD2 4.1Å; I70-L95 HydrophobicContact CD1-CD1 3.6Å; I70-L95 HydrophobicContact CG1-CD1 4.35Å; F84-L95 HydrophobicContact CD1-CD1 4.44Å; S85-L95 CarbonylContact O-C 3.6Å; L95-Y108 HydrophobicContact CD2-CD1 3.57Å; L95-Y108 HydrophobicContact CD2-CE1 4.11Å; L95-Y108 HydrophobicContact CD2-CG 4.34Å
96	T	98.8	Very high	98.2	Very high	7 Å²	7	44.8 Å²	44.8	4%	0.043	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134.7	175.1	-68.4	0	0	0	0	110.1	R40 V41 T42 F84 S85	R40-T96 HydrophobicContact CG-CG2 4.16Å; R40-T96 PolarHBondContact NH2-OG1 2.99Å; V41-T96 CarbonylContact O-C 3.57Å; V41-T96 VanDerWaalsContact O-CA 3.27Å; V41-T96 WeakPolarHBondContact O-CA 3.44Å; T42-T96 PolarHBondContact OG1-OG1 3.06Å; T42-T96 VanDerWaalsContact OG1-OG1 3.11Å; F84-T96 CarbonylContact C-O 3.45Å; F84-T96 WeakPolarHBondContact CA-O 3.43Å; S85-T96 PolarHBondContact N-O 3.28Å; S85-T96 PolarHBondContact O-N 3.4Å; S85-T96 WeakPolarHBondContact OG-CB 3.21Å; S85-T96 PolarHBondContact OG-O 3.07Å
97	I	98.7	Very high	98.2	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	113.7	167	-49.5	177.1	0	0	0	106.2	R40 V41 R83 F84 L100 D104 Y108	R40-I97 WeakPolarHBondContact CA-O 3.31Å; V41-I97 HydrophobicContact CB-CB 4.37Å; V41-I97 PolarHBondContact N-O 2.83Å; V41-I97 PolarHBondContact O-N 3.28Å; R83-I97 HydrophobicContact CG-CG2 4.28Å; R83-I97 CarbonylContact O-C 3.54Å; R83-I97 WeakPolarHBondContact O-CA 3.4Å; F84-I97 HydrophobicContact CD1-CD1 4.29Å; F84-I97 HydrophobicContact CD1-CG1 3.8Å; F84-I97 HydrophobicContact CE1-CD1 3.68Å; F84-I97 HydrophobicContact CE1-CG1 3.7Å; F84-I97 HydrophobicContact CE1-CG2 4.49Å; F84-I97 HydrophobicContact CZ-CD1 4.46Å; I97-L100 HydrophobicContact CD1-CD1 4.14Å; I97-L100 HydrophobicContact CG2-CD1 4.39Å; I97-D104 HydrophobicContact CD1-CB 4.42Å; I97-Y108 HydrophobicContact CD1-CE1 4.15Å
98	S	98.6	Very high	98.2	Very high	62 Å²	62	46.1 Å²	46.1	43%	0.434	29%	0.286	S	S	.	.	S	Bend	trans	-73.1	-28.6	-171.3	63.3	0	0	0	0	113.9	R83	R83-S98 WeakPolarHBondContact CA-OG 3.05Å; R83-S98 PolarHBondContact O-N 3.14Å; R83-S98 PolarHBondContact O-OG 3.44Å
99	S	98.5	Very high	98.2	Very high	51 Å²	51	49.2 Å²	49.2	36%	0.357	29%	0.287	S	S	.	.	S	Bend	trans	-148.7	103.2	178.9	170.6	0	0	0	0	108	R83 E101	R83-S99 WeakPolarHBondContact CD-O 3.24Å; S99-E101 PolarHBondContact O-N 2.81Å
100	L	98.4	Very high	98.3	Very high	25 Å²	25	46 Å²	46	13%	0.131	27%	0.265	C	S	.	.			trans	-63.9	128.6	-176.4	-167.4	72.3	0	0	0	111.9	A35 L37 G38 E39 V41 I97 D104	A35-L100 HydrophobicContact CB-CD2 3.78Å; L37-L100 WeakPolarHBondContact CA-O 3.02Å; G38-L100 PolarHBondContact N-O 2.85Å; E39-L100 WeakPolarHBondContact O-CB 3.49Å; E39-L100 PolarHBondContact O-N 2.02Å; V41-L100 HydrophobicContact CG2-CD1 4.22Å; V41-L100 HydrophobicContact CG2-CD2 4.35Å; I97-L100 HydrophobicContact CD1-CD1 4.14Å; I97-L100 HydrophobicContact CG2-CD1 4.39Å; L100-D104 HydrophobicContact CD1-CB 3.53Å; L100-D104 HydrophobicContact CG-CB 4.33Å
101	E	98.3	Very high	98.3	Very high	87 Å²	87	49.2 Å²	49.2	41%	0.407	28%	0.278	S	S	.	.			trans	-106.1	163.4	174.3	-72.3	174.8	-149.1	0	0	111.5	R83 S99 D103 D104	R83-E101 IonicContact CZ-OE1 3.43Å; R83-E101 IonicContact CZ-OE2 3.7Å; R83-E101 VanDerWaalsContact CZ-OE2 3.28Å; R83-E101 IonicContact NE-OE1 3.44Å; R83-E101 IonicContact NH1-OE1 3.75Å; R83-E101 PolarHBondContact NH1-OE1 3.36Å; R83-E101 IonicContact NH1-OE2 3.52Å; R83-E101 PolarHBondContact NH1-OE2 2.99Å; R83-E101 IonicContact NH2-OE2 2.74Å; S99-E101 PolarHBondContact O-N 2.81Å; E101-D103 WeakPolarHBondContact CB-OD1 3.39Å; E101-D103 PolarHBondContact O-N 2.8Å; E101-D104 PolarHBondContact N-OD2 2.8Å; E101-D104 WeakPolarHBondContact O-CB 3.44Å; E101-D104 PolarHBondContact O-N 2.93Å
102	S	96.8	Very high	98.2	Very high	95 Å²	95	46.8 Å²	46.8	66%	0.664	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-61.3	-28.5	-177.8	57.3	0	0	0	0	112.7	D104	S102-D104 VanDerWaalsContact C-N 3.29Å; S102-D104 PolarHBondContact O-N 2.93Å
103	D	96.6	Very high	98	Very high	68 Å²	68	46 Å²	46	36%	0.364	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-82.5	-4.2	179.5	85.3	-45.7	0	0	0	113.6	K61 R83 E101 T105	K61-D103 WeakPolarHBondContact CE-O 3.36Å; K61-D103 PolarHBondContact NZ-O 2.63Å; K61-D103 IonicContact NZ-OD2 3.52Å; K61-D103 PolarHBondContact NZ-OD2 3.28Å; R83-D103 IonicContact CZ-OD1 3.71Å; R83-D103 IonicContact NH2-OD1 3.61Å; R83-D103 PolarHBondContact NH2-OD1 3.31Å; R83-D103 IonicContact NH2-OD2 2.97Å; E101-D103 WeakPolarHBondContact CB-OD1 3.39Å; E101-D103 PolarHBondContact O-N 2.8Å; D103-T105 VanDerWaalsContact C-N 3.29Å; D103-T105 PolarHBondContact O-N 3.41Å
104	D	97.9	Very high	97.4	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-84	-1.9	178.5	-66.3	-27.8	0	0	0	113.1	R83 F84 I97 L100 E101 S102 A106 Y108	R83-D104 IonicContact CZ-OD1 2.82Å; R83-D104 IonicContact CZ-OD2 3.45Å; R83-D104 IonicContact NE-OD1 3.28Å; R83-D104 PolarHBondContact NE-OD1 2.9Å; R83-D104 IonicContact NE-OD2 3.98Å; R83-D104 PolarHBondContact NE-OD2 2.86Å; R83-D104 IonicContact NH2-OD1 3.03Å; R83-D104 PolarHBondContact NH2-OD1 2.86Å; R83-D104 IonicContact NH2-OD2 2.82Å; F84-D104 WeakPolarHBondContact CZ-OD1 3.29Å; I97-D104 HydrophobicContact CD1-CB 4.42Å; L100-D104 HydrophobicContact CD1-CB 3.53Å; L100-D104 HydrophobicContact CG-CB 4.33Å; E101-D104 PolarHBondContact N-OD2 2.8Å; E101-D104 WeakPolarHBondContact O-CB 3.44Å; E101-D104 PolarHBondContact O-N 2.93Å; S102-D104 VanDerWaalsContact C-N 3.29Å; S102-D104 PolarHBondContact O-N 2.93Å; D104-A106 PolarHBondContact O-N 3.29Å; D104-Y108 WeakPolarHBondContact O-CE2 3.49Å; D104-Y108 PolarHBondContact O-OH 3.35Å
105	T	97.6	Very high	96.5	Very high	112 Å²	112	51 Å²	51	69%	0.687	29%	0.29	S	S	*	.			trans	-68.8	104.4	174.2	-58.3	0	0	0	0	110.3	D103	D103-T105 VanDerWaalsContact C-N 3.29Å; D103-T105 PolarHBondContact O-N 3.41Å
106	A	98.2	Very high	95.1	Very high	27 Å²	27	55 Å²	55	22%	0.223	32%	0.318	C	S	.	.	S	Bend	trans	-161.4	167.7	-174.3	0	0	0	0	0	111.5	Q59 Q60 K61 D104 Y108	Q59-A106 HydrophobicContact CG-CB 3.36Å; Q60-A106 WeakPolarHBondContact O-CB 3.33Å; K61-A106 HydrophobicContact CG-CB 4.19Å; D104-A106 PolarHBondContact O-N 3.29Å; A106-Y108 HydrophobicContact CB-CE2 3.95Å; A106-Y108 WeakPolarHBondContact O-CD2 3.23Å; A106-Y108 WeakPolarHBondContact O-CE2 3.49Å
107	T	98.4	Very high	93.1	Very high	75 Å²	75	60.4 Å²	60.4	46%	0.46	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	134.4	162.1	-49.5	0	0	0	0	109	Q60 Y109	Q60-T107 PolarHBondContact N-O 2.92Å; Q60-T107 PolarHBondContact O-N 2.85Å; T107-Y109 HydrophobicContact CG2-CD2 4.48Å; T107-Y109 HydrophobicContact CG2-CE1 3.79Å; T107-Y109 HydrophobicContact CG2-CE2 3.74Å; T107-Y109 WeakPolarHBondContact CG2-OH 3.34Å
108	Y	98.7	Very high	92.8	Very high	23 Å²	23	63.4 Å²	63.4	9%	0.09	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.5	-179.3	-67.1	-96.3	0	0	0	110.5	Q28 I43 Y58 Q59 L69 F84 L95 I97 D104 A106	Q28-Y108 PolarHBondContact NE2-O 2.98Å; I43-Y108 HydrophobicContact CD1-CD1 4.47Å; I43-Y108 HydrophobicContact CD1-CD2 3.83Å; I43-Y108 HydrophobicContact CD1-CG 3.74Å; Y58-Y108 CarbonylContact O-C 3.59Å; Y58-Y108 VanDerWaalsContact O-CA 3.29Å; Y58-Y108 WeakPolarHBondContact O-CA 3.25Å; Q59-Y108 HydrophobicContact CB-CD1 4.37Å; Q59-Y108 HydrophobicContact CB-CE1 4.12Å; Q59-Y108 HydrophobicContact CG-CD1 4.43Å; Q59-Y108 HydrophobicContact CG-CE1 3.87Å; Q59-Y108 PolarHBondContact NE2-OH 3Å; L69-Y108 HydrophobicContact CD1-CD1 3.89Å; L69-Y108 HydrophobicContact CD1-CE1 3.68Å; F84-Y108 HydrophobicContact CE1-CE1 4.15Å; L95-Y108 HydrophobicContact CD2-CD1 3.57Å; L95-Y108 HydrophobicContact CD2-CE1 4.11Å; L95-Y108 HydrophobicContact CD2-CG 4.34Å; I97-Y108 HydrophobicContact CD1-CE1 4.15Å; D104-Y108 WeakPolarHBondContact O-CE2 3.49Å; D104-Y108 PolarHBondContact O-OH 3.35Å; A106-Y108 HydrophobicContact CB-CE2 3.95Å; A106-Y108 WeakPolarHBondContact O-CD2 3.23Å; A106-Y108 WeakPolarHBondContact O-CE2 3.49Å
109	Y	98.7	Very high	92.5	Very high	97 Å²	97	63.4 Å²	63.4	38%	0.38	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.9	-179.4	-55.1	-83.2	0	0	0	111.4	W57 Y58 Q60 T107	W57-Y109 CarbonylContact C-O 3.6Å; W57-Y109 WeakPolarHBondContact CA-O 3.38Å; Y58-Y109 PolarHBondContact N-O 2.93Å; Y58-Y109 PolarHBondContact O-N 2.78Å; Q60-Y109 HydrophobicContact CB-CD2 4.36Å; Q60-Y109 HydrophobicContact CB-CE2 3.75Å; Q60-Y109 PolarHBondContact OE1-OH 2.97Å; T107-Y109 HydrophobicContact CG2-CD2 4.48Å; T107-Y109 HydrophobicContact CG2-CE1 3.79Å; T107-Y109 HydrophobicContact CG2-CE2 3.74Å; T107-Y109 WeakPolarHBondContact CG2-OH 3.34Å
110	C	98.4	Very high	92.2	Very high	12 Å²	12	64.1 Å²	64.1	8%	0.081	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	138.6	162.9	59.4	0	0	0	0	110.7	Q28 C45 L55 S56 W57	Q28-C110 VanDerWaalsContact CD-SG 3.54Å; Q28-C110 WeakPolarHBondContact CG-SG 3.49Å; Q28-C110 PolarHBondContact OE1-SG 2.59Å; Q28-C110 VanDerWaalsContact OE1-SG 3.36Å; C45-C110 HydrophobicContact CB-CB 3.54Å; C45-C110 WeakPolarHBondContact CB-SG 3.42Å; C45-C110 WeakPolarHBondContact SG-CB 3.39Å; C45-C110 CovalentContact SG-SG 2.02Å; C45-C110 PolarHBondContact SG-SG 2.78Å; L55-C110 HydrophobicContact CD1-CB 4Å; L55-C110 HydrophobicContact CD2-CB 4.28Å; L55-C110 HydrophobicContact CG-CB 4.31Å; S56-C110 CarbonylContact O-C 3.58Å; S56-C110 WeakPolarHBondContact O-CA 3.26Å; W57-C110 HydrophobicContact CD2-CB 4.32Å; W57-C110 HydrophobicContact CE3-CB 4.06Å; W57-C110 HydrophobicContact CH2-CB 4.13Å; W57-C110 HydrophobicContact CZ2-CB 4.35Å; W57-C110 HydrophobicContact CZ3-CB 3.97Å
111	L	98	Very high	91.8	Very high	83 Å²	83	66.4 Å²	66.4	44%	0.435	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	118.9	178.3	175	64.9	0	0	0	109.5	L55 S56 Y58	L55-L111 CarbonylContact C-O 3.51Å; L55-L111 WeakPolarHBondContact CA-O 3.48Å; S56-L111 PolarHBondContact N-O 2.9Å; S56-L111 PolarHBondContact O-N 3.43Å; Y58-L111 HydrophobicContact CD2-CB 4.2Å; Y58-L111 HydrophobicContact CE2-CB 3.82Å; Y58-L111 HydrophobicContact CE2-CD2 3.74Å; Y58-L111 HydrophobicContact CE2-CG 4.44Å
112	Q	96.8	Very high	91.4	Very high	29 Å²	29	65.1 Å²	65.1	14%	0.136	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	143.9	166.2	76.6	79.8	19.1	0	0	110.3	I24 M26 I51 Y54 E115	I24-Q112 HydrophobicContact CB-CG 4.32Å; I24-Q112 HydrophobicContact CG2-CG 4.19Å; M26-Q112 HydrophobicContact CE-CB 4.23Å; M26-Q112 HydrophobicContact CG-CB 4.42Å; M26-Q112 HydrophobicContact CG-CG 4.19Å; M26-Q112 HydrophobicContact SD-CB 3.67Å; M26-Q112 HydrophobicContact SD-CG 3.73Å; I51-Q112 HydrophobicContact CD1-CB 3.46Å; I51-Q112 VanDerWaalsContact CD1-CB 3.46Å; I51-Q112 HydrophobicContact CG2-CB 4.19Å; Y54-Q112 CarbonylContact O-C 3.56Å; Y54-Q112 WeakPolarHBondContact O-CA 3.35Å; Q112-E115 PolarHBondContact NE2-O 3.28Å; Q112-E115 VanDerWaalsContact OE1-N 3.13Å; Q112-E115 PolarHBondContact OE1-O 3.01Å
113	H	94.3	Very high	91	Very high	80 Å²	80	63.1 Å²	63.1	37%	0.37	36%	0.361	S	S	.	.			trans	-139.7	23.7	173.6	54.5	-87.5	0	0	0	111.5	Y54 L55 S56	Y54-H113 WeakPolarHBondContact CA-NE2 3.29Å; Y54-H113 AromaticContact CD1-CD2 3.86Å; Y54-H113 AromaticContact CD1-NE2 3.82Å; Y54-H113 PolarHBondContact O-N 3.24Å; Y54-H113 PolarHBondContact O-ND1 3.15Å; L55-H113 PolarHBondContact N-CE1 2.73Å; S56-H113 PolarHBondContact OG-CE1 2.97Å
114	G	86.1	Confident	90.6	Very high	32 Å²	32	62.8 Å²	62.8	33%	0.33	36%	0.361	S	S	.	.	S	Bend	trans	-78	-30.3	175.6	0	0	0	0	0	112
115	E	79.2	Confident	90.1	Very high	99 Å²	99	67.4 Å²	67.4	46%	0.463	39%	0.388	S	S	.	.	S	Bend	trans	-133.1	133.8	172.2	-64.2	-170.6	167.1	0	0	109.6	I24 Q112	I24-E115 HydrophobicContact CD1-CB 3.89Å; I24-E115 HydrophobicContact CD1-CG 3.84Å; I24-E115 WeakPolarHBondContact CD1-OE2 3.32Å; Q112-E115 PolarHBondContact NE2-O 3.28Å; Q112-E115 VanDerWaalsContact OE1-N 3.13Å; Q112-E115 PolarHBondContact OE1-O 3.01Å
116	S	69.3	Low	89.4	Confident	87 Å²	87	63.7 Å²	63.7	61%	0.608	36%	0.363	S	S	*	.			trans	-82.9	148.9	167.3	75.9	0	0	0	0	109.6	R21	R21-S116 PolarHBondContact NH2-O 3.4Å
117	P	57.3	Low	88.6	Confident	120 Å²	120	67 Å²	67	78%	0.779	38%	0.376	S	S	*	.			trans	-56.5	0	163.8	-19.5	30.8	0	0	0	113.5	R21	R21-P117 WeakPolarHBondContact CD-OXT 3.3Å; R21-P117 PolarHBondContact NE-OXT 3.08Å; R21-P117 PolarHBondContact NH1-O 3.46Å; R21-P117 PolarHBondContact NH1-OXT 3.49Å; R21-P117 PolarHBondContact NH2-O 3.45Å

Retrieved 117 of 117 residues in 74.4 ms (Link to these results)

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