A0A075B666_MOUSE Loading...

Immunoglobulin kappa chain variable 13-85

AlphaFold DB , UniProt , Accession A0A075B666, Species MOUSE (Mus musculus, Mouse), Gene Igkv13-85, Length 115 aa.

						>A0A075B666_MOUSE|A0A075B666|Igkv13-85
MKFPSQLLLFLLFRITGIICDIQMTQSSSYLSVSLGGRVTITCKASDHINNWLAWYQQKPGNAPRLLISGATSLETGVPSRFSGSGSGKDYTLSITSLQTEDVATYYCQQYWSTP
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42	Very low	54.9	Low	252 Å²	252	161.5 Å²	161.5	100%	1.241	82%	0.815	S	S	*	*				0	149.8	0	-107.4	160.1	162.6	0	0	109
2	K	48.3	Very low	55.4	Low	206 Å²	206	160.5 Å²	160.5	90%	0.896	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.1	148.4	-156.8	-64.7	170.9	176.4	176.8	0	115.1
3	F	51	Low	55.8	Low	204 Å²	204	160.8 Å²	160.8	90%	0.895	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-61.1	131.7	168	-61.4	-88.9	0	0	0	111.4
4	P	55.5	Low	56.4	Low	105 Å²	105	165.1 Å²	165.1	68%	0.682	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-80.4	120.3	164	29.8	-26.3	0	0	0	109.2	Q6	P4-Q6 PolarHBondContact O-N 2.72Å
5	S	56.6	Low	56.8	Low	119 Å²	119	164.3 Å²	164.3	83%	0.832	81%	0.806	S	S	*	*			trans	-54.7	93.5	168.1	-175.8	0	0	0	0	109.8	L7	S5-L7 VanDerWaalsContact C-N 3.35Å; S5-L7 PolarHBondContact O-N 2.75Å; S5-L7 VanDerWaalsContact O-N 3.14Å
6	Q	53.7	Low	57	Low	178 Å²	178	161.8 Å²	161.8	83%	0.832	80%	0.803	S	S	*	*			trans	-81.9	93.3	169.9	-65.8	-112.4	-66.3	0	0	106.7	P4 L8	P4-Q6 PolarHBondContact O-N 2.72Å; Q6-L8 PolarHBondContact O-N 2.97Å
7	L	55.1	Low	57.3	Low	143 Å²	143	155.4 Å²	155.4	75%	0.749	79%	0.788	S	S	*	*			trans	-26	113.3	168.1	-162.3	74.8	0	0	0	111.5	S5 L9	S5-L7 VanDerWaalsContact C-N 3.35Å; S5-L7 PolarHBondContact O-N 2.75Å; S5-L7 VanDerWaalsContact O-N 3.14Å; L7-L9 HydrophobicContact CD2-CD1 4.32Å; L7-L9 PolarHBondContact O-N 3.02Å
8	L	57.4	Low	57.8	Low	139 Å²	139	155 Å²	155	73%	0.728	79%	0.787	S	S	*	*			trans	-65	83.7	176.2	-140	91.4	0	0	0	108.5	Q6 F10	Q6-L8 PolarHBondContact O-N 2.97Å; L8-F10 HydrophobicContact CD2-CE1 4.13Å; L8-F10 HydrophobicContact CD2-CE2 3.98Å; L8-F10 HydrophobicContact CD2-CZ 3.68Å; L8-F10 PolarHBondContact O-N 3.43Å
9	L	62.5	Low	58.3	Low	137 Å²	137	153.1 Å²	153.1	72%	0.717	78%	0.777	S	S	*	*			trans	-73	99.1	173.9	-145.6	83.4	0	0	0	106.4	L7 L11	L7-L9 HydrophobicContact CD2-CD1 4.32Å; L7-L9 PolarHBondContact O-N 3.02Å; L9-L11 PolarHBondContact O-N 3.03Å
10	F	57.7	Low	59.1	Low	167 Å²	167	150.5 Å²	150.5	73%	0.732	77%	0.773	S	S	*	*			trans	-62	85.7	171.2	-71.7	-87.6	0	0	0	108.7	L8 L12	L8-F10 HydrophobicContact CD2-CE1 4.13Å; L8-F10 HydrophobicContact CD2-CE2 3.98Å; L8-F10 HydrophobicContact CD2-CZ 3.68Å; L8-F10 PolarHBondContact O-N 3.43Å; F10-L12 PolarHBondContact O-N 2.83Å
11	L	63.8	Low	60.5	Low	127 Å²	127	146.4 Å²	146.4	67%	0.665	75%	0.752	S	S	*	*			trans	-62.1	89.4	160.4	-87.3	148.8	0	0	0	106.4	L9 F13	L9-L11 PolarHBondContact O-N 3.03Å; L11-F13 HydrophobicContact CB-CD2 3.95Å; L11-F13 HydrophobicContact CB-CE2 3.84Å; L11-F13 HydrophobicContact CD1-CE2 4.41Å; L11-F13 HydrophobicContact CD2-CE2 4.49Å; L11-F13 HydrophobicContact CG-CE2 4.48Å; L11-F13 PolarHBondContact O-N 3.25Å
12	L	61.3	Low	63	Low	149 Å²	149	135.3 Å²	135.3	78%	0.78	70%	0.698	S	S	*	*			trans	-64.5	83.9	160	-69.9	169.5	0	0	0	105.8	F10 R14	F10-L12 PolarHBondContact O-N 2.83Å; L12-R14 PolarHBondContact O-N 3.27Å
13	F	60.5	Low	65.2	Low	165 Å²	165	130.9 Å²	130.9	72%	0.724	68%	0.68	S	S	*	*			trans	-57	95.6	161.5	-81.9	-88.1	0	0	0	105.7	L11 I15	L11-F13 HydrophobicContact CB-CD2 3.95Å; L11-F13 HydrophobicContact CB-CE2 3.84Å; L11-F13 HydrophobicContact CD1-CE2 4.41Å; L11-F13 HydrophobicContact CD2-CE2 4.49Å; L11-F13 HydrophobicContact CG-CE2 4.48Å; L11-F13 PolarHBondContact O-N 3.25Å; F13-I15 PolarHBondContact O-N 2.89Å
14	R	63.6	Low	67.4	Low	221 Å²	221	123.7 Å²	123.7	83%	0.834	65%	0.65	S	S	*	*			trans	-63.5	92.6	160.3	-63.5	-75	-105.6	-160.7	-4.9	103.2	L12 T16	L12-R14 PolarHBondContact O-N 3.27Å; R14-T16 PolarHBondContact O-N 3.29Å
15	I	62.3	Low	69.4	Low	152 Å²	152	123.2 Å²	123.2	78%	0.779	65%	0.645	S	S	*	*			trans	-60.6	97.9	166.6	-52	174.2	0	0	0	103	F13 G17	F13-I15 PolarHBondContact O-N 2.89Å; I15-G17 PolarHBondContact O-N 3.1Å
16	T	60.9	Low	71.3	Confident	125 Å²	125	120.8 Å²	120.8	77%	0.767	62%	0.621	S	S	*	*			trans	-66.1	83.8	163.4	44.7	0	0	0	0	104.2	R14 I18	R14-T16 PolarHBondContact O-N 3.29Å; T16-I18 PolarHBondContact O-N 2.96Å; T16-I18 VanDerWaalsContact O-N 3.08Å
17	G	62.1	Low	73.1	Confident	53 Å²	53	114 Å²	114	55%	0.546	59%	0.593	S	S	.	*			trans	-52.1	119.7	163.9	0	0	0	0	0	105.7	I15 I19	I15-G17 PolarHBondContact O-N 3.1Å; G17-I19 PolarHBondContact O-N 3.26Å
18	I	66.8	Low	74.3	Confident	148 Å²	148	110.9 Å²	110.9	76%	0.759	58%	0.583	S	S	*	*			trans	-62.7	120.8	171.7	-62.2	173.2	0	0	0	104.9	T16 C20	T16-I18 PolarHBondContact O-N 2.96Å; T16-I18 VanDerWaalsContact O-N 3.08Å; I18-C20 PolarHBondContact O-N 3.37Å
19	I	65.7	Low	75.4	Confident	119 Å²	119	110.7 Å²	110.7	61%	0.61	59%	0.594	S	S	*	*			trans	-71.8	100.1	173	-56.7	172.1	0	0	0	105.1	G17 D21	G17-I19 PolarHBondContact O-N 3.26Å; I19-D21 HydrophobicContact CG2-CB 4.49Å
20	C	76	Confident	76.6	Confident	101 Å²	101	112.5 Å²	112.5	68%	0.682	59%	0.592	S	S	*	*			trans	-82.1	-0.9	179.5	-65.8	0	0	0	0	113.2	I18	I18-C20 PolarHBondContact O-N 3.37Å
21	D	88.2	Confident	78.1	Confident	64 Å²	64	108.2 Å²	108.2	34%	0.342	58%	0.576	S	S	.	*	S	Bend	trans	-92.2	148.1	-176.9	-168.6	18.3	0	0	0	112.8	I19 Q23 P115	I19-D21 HydrophobicContact CG2-CB 4.49Å; D21-Q23 PolarHBondContact O-N 3.31Å; D21-P115 HydrophobicContact CB-CB 4.07Å; D21-P115 HydrophobicContact CB-CG 4.49Å
22	I	94	Very high	79.5	Confident	20 Å²	20	107.1 Å²	107.1	10%	0.103	58%	0.579	C	S	.	*			trans	-79.8	109.7	175.3	-58.7	-179.8	0	0	0	108.6	M24 A45 S46 D47 I49 Q110	I22-M24 HydrophobicContact CG2-SD 4.11Å; I22-A45 HydrophobicContact CG2-CB 4.07Å; I22-S46 WeakPolarHBondContact CA-OG 3.44Å; I22-D47 HydrophobicContact CG1-CB 4.45Å; I22-I49 HydrophobicContact CD1-CG2 3.59Å; I22-I49 HydrophobicContact CG2-CG2 3.98Å; I22-Q110 HydrophobicContact CB-CG 4.05Å; I22-Q110 HydrophobicContact CG2-CG 3.97Å
23	Q	94.9	Very high	81	Confident	113 Å²	113	102.6 Å²	102.6	53%	0.528	56%	0.558	S	S	.	*			trans	-81.1	135.9	178.8	-58.9	-170.2	-65	0	0	110.9	D21 A45 S46	D21-Q23 PolarHBondContact O-N 3.31Å; Q23-A45 CarbonylContact O-C 3.53Å; Q23-A45 WeakPolarHBondContact O-CA 3.36Å; Q23-S46 PolarHBondContact N-OG 3.11Å; Q23-S46 PolarHBondContact O-N 2.91Å
24	M	96	Very high	82.8	Confident	53 Å²	53	99.4 Å²	99.4	26%	0.261	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.7	128.3	176.3	-54.9	-54	-62.6	0	0	110.1	I22 C43 K44 A45 I49 L53 Q110	I22-M24 HydrophobicContact CG2-SD 4.11Å; M24-C43 WeakPolarHBondContact CE-SG 3Å; M24-K44 WeakPolarHBondContact CA-O 3.39Å; M24-A45 HydrophobicContact CE-CB 3.8Å; M24-A45 HydrophobicContact SD-CB 3.68Å; M24-I49 HydrophobicContact CE-CD1 4.1Å; M24-I49 HydrophobicContact SD-CD1 4.44Å; M24-L53 HydrophobicContact CE-CD1 3.53Å; M24-Q110 HydrophobicContact CE-CB 4.33Å; M24-Q110 HydrophobicContact CG-CB 4.45Å; M24-Q110 HydrophobicContact CG-CG 4.2Å; M24-Q110 HydrophobicContact SD-CB 3.68Å; M24-Q110 HydrophobicContact SD-CG 3.71Å
25	T	97.3	Very high	84.4	Confident	94 Å²	94	94.2 Å²	94.2	58%	0.577	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119	123.3	178.2	-57.4	0	0	0	0	109.6	C43 K44	T25-C43 CarbonylContact O-C 3.56Å; T25-C43 WeakPolarHBondContact O-CA 3.45Å; T25-K44 PolarHBondContact N-O 2.81Å; T25-K44 PolarHBondContact O-N 2.91Å
26	Q	96.5	Very high	86	Confident	68 Å²	68	89.2 Å²	89.2	32%	0.318	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	155.4	177.1	-71.8	177.4	-137.3	0	0	111.8	T42 C43 Y106 C108	Q26-T42 CarbonylContact C-O 3.56Å; Q26-T42 VanDerWaalsContact CA-O 3.27Å; Q26-T42 WeakPolarHBondContact CA-O 3.48Å; Q26-C43 HydrophobicContact CG-CB 4.16Å; Q26-Y106 PolarHBondContact NE2-O 2.78Å; Q26-C108 WeakPolarHBondContact CG-SG 3.32Å; Q26-C108 PolarHBondContact OE1-SG 3.05Å; Q26-C108 VanDerWaalsContact OE1-SG 3.34Å
27	S	91.3	Very high	87.8	Confident	35 Å²	35	84.4 Å²	84.4	25%	0.245	51%	0.505	C	S	.	.	S	Bend	trans	-57.6	171.1	163.7	56.3	0	0	0	0	111.8	S29 T42	S27-S29 PolarHBondContact O-N 3.47Å; S27-T42 WeakPolarHBondContact CB-OG1 3.45Å; S27-T42 PolarHBondContact N-O 2.81Å; S27-T42 PolarHBondContact OG-N 3.42Å
28	S	82.2	Confident	89.5	Confident	78 Å²	78	89.3 Å²	89.3	55%	0.545	51%	0.507	S	S	.	.			trans	-22.5	127.3	180	-173.4	0	0	0	0	115	Y30	S28-Y30 PolarHBondContact O-N 2.74Å; S28-Y30 VanDerWaalsContact O-N 3.15Å; S28-Y30 PolarHBondContact OG-N 2.87Å; S28-Y30 PolarHBondContact OG-O 3.17Å
29	S	80.1	Confident	90.9	Very high	136 Å²	136	82.8 Å²	82.8	95%	0.951	48%	0.475	S	S	*	.	S	Bend	trans	-65.2	-13.6	176.2	54.3	0	0	0	0	113.6	S27	S27-S29 PolarHBondContact O-N 3.47Å
30	Y	86.9	Confident	92.4	Very high	175 Å²	175	80.4 Å²	80.4	69%	0.686	47%	0.466	S	S	*	.			trans	-136	131.7	179.7	-171.8	-99.6	0	0	0	111.2	S28	S28-Y30 PolarHBondContact O-N 2.74Å; S28-Y30 VanDerWaalsContact O-N 3.15Å; S28-Y30 PolarHBondContact OG-N 2.87Å; S28-Y30 PolarHBondContact OG-O 3.17Å
31	L	90.2	Very high	93.4	Very high	77 Å²	77	76.3 Å²	76.3	40%	0.403	44%	0.437	S	S	.	.			trans	-131.5	132.9	175.8	-64.4	175.5	0	0	0	108.5	V39 I41	L31-V39 HydrophobicContact CD1-CG1 3.92Å; L31-I41 HydrophobicContact CD1-CD1 4.45Å; L31-I41 HydrophobicContact CD1-CG1 3.84Å
32	S	92.4	Very high	93.9	Very high	104 Å²	104	76.4 Å²	76.4	73%	0.727	44%	0.44	S	S	*	.			trans	-115.4	111.8	171.9	-174.1	0	0	0	0	108.2
33	V	93.8	Very high	94.1	Very high	53 Å²	53	75.5 Å²	75.5	32%	0.321	44%	0.435	S	S	.	.			trans	-134.6	134.8	-176.2	-179.7	0	0	0	0	108	V39 L98	V33-V39 HydrophobicContact CB-CG2 4.09Å; V33-V39 HydrophobicContact CG1-CG2 4.15Å; V33-V39 HydrophobicContact CG2-CG2 4.05Å; V33-L98 HydrophobicContact CB-CD2 3.97Å; V33-L98 HydrophobicContact CG1-CD2 4.17Å; V33-L98 WeakPolarHBondContact O-CD2 3.27Å
34	S	96.6	Very high	94.3	Very high	98 Å²	98	75 Å²	75	69%	0.685	43%	0.431	S	S	*	.			trans	-64.8	149.2	176.8	-57.3	0	0	0	0	111.5	G37	S34-G37 WeakPolarHBondContact O-CA 3.3Å; S34-G37 PolarHBondContact O-N 2.89Å
35	L	97.3	Very high	94.3	Very high	112 Å²	112	72.6 Å²	72.6	59%	0.586	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	141.8	171	-63.2	178.1	0	0	0	110.8	G37 L98	L35-G37 PolarHBondContact O-N 3.03Å; L35-L98 WeakPolarHBondContact CA-O 3.4Å
36	G	97.7	Very high	94.3	Very high	48 Å²	48	70.9 Å²	70.9	50%	0.495	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	-8.8	-170.8	0	0	0	0	0	114.3	L98	G36-L98 PolarHBondContact N-O 2.86Å
37	G	97.7	Very high	94.2	Very high	23 Å²	23	72.2 Å²	72.2	24%	0.237	42%	0.421	C	S	.	.			trans	-71.1	173.7	175.2	0	0	0	0	0	113.4	S34 L35 S97 L98	S34-G37 WeakPolarHBondContact O-CA 3.3Å; S34-G37 PolarHBondContact O-N 2.89Å; L35-G37 PolarHBondContact O-N 3.03Å; G37-S97 WeakPolarHBondContact O-CA 3.49Å; G37-S97 PolarHBondContact O-N 3.36Å; G37-L98 PolarHBondContact O-N 3.41Å
38	R	97.1	Very high	94.5	Very high	156 Å²	156	75.5 Å²	75.5	59%	0.589	43%	0.432	S	S	*	.			trans	-101.6	130.8	174.6	-177.7	179.1	176.3	128.8	4.6	110.2	S94 I95	R38-S94 PolarHBondContact NH2-OG 2.84Å; R38-S94 VanDerWaalsContact NH2-OG 3.11Å; R38-I95 WeakPolarHBondContact CA-O 3.27Å
39	V	96.7	Very high	95.2	Very high	12 Å²	12	71.8 Å²	71.8	7%	0.073	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.6	170.5	179.5	0	0	0	0	109.1	L31 V33 I41 S94 I95 L98	L31-V39 HydrophobicContact CD1-CG1 3.92Å; V33-V39 HydrophobicContact CB-CG2 4.09Å; V33-V39 HydrophobicContact CG1-CG2 4.15Å; V33-V39 HydrophobicContact CG2-CG2 4.05Å; V39-I41 HydrophobicContact CG1-CD1 4.34Å; V39-I41 HydrophobicContact CG1-CG1 3.98Å; V39-S94 CarbonylContact O-C 3.54Å; V39-S94 VanDerWaalsContact O-CA 3.28Å; V39-S94 WeakPolarHBondContact O-CA 3.37Å; V39-I95 HydrophobicContact CB-CB 4.09Å; V39-I95 HydrophobicContact CB-CD1 4.2Å; V39-I95 HydrophobicContact CB-CG1 4.17Å; V39-I95 HydrophobicContact CG1-CD1 4.4Å; V39-I95 PolarHBondContact N-O 3.46Å; V39-I95 PolarHBondContact O-N 2.79Å; V39-L98 HydrophobicContact CG2-CB 4.42Å; V39-L98 HydrophobicContact CG2-CD1 3.88Å; V39-L98 HydrophobicContact CG2-CD2 3.99Å; V39-L98 HydrophobicContact CG2-CG 4.33Å
40	T	97.1	Very high	96.1	Very high	69 Å²	69	68.7 Å²	68.7	42%	0.423	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	122	172.4	-56.8	0	0	0	0	108.2	T92 L93	T40-T92 HydrophobicContact CG2-CG2 3.51Å; T40-L93 WeakPolarHBondContact CA-O 3.17Å
41	I	97.8	Very high	96.6	Very high	14 Å²	14	63.5 Å²	63.5	7%	0.072	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.2	175.8	-54.8	178.5	0	0	0	107.3	L31 V39 W55 T92 L93 Y106	L31-I41 HydrophobicContact CD1-CD1 4.45Å; L31-I41 HydrophobicContact CD1-CG1 3.84Å; V39-I41 HydrophobicContact CG1-CD1 4.34Å; V39-I41 HydrophobicContact CG1-CG1 3.98Å; I41-W55 HydrophobicContact CB-CH2 4.38Å; I41-W55 HydrophobicContact CB-CZ3 4.49Å; I41-W55 HydrophobicContact CG2-CH2 3.98Å; I41-W55 HydrophobicContact CG2-CZ3 3.97Å; I41-T92 CarbonylContact O-C 3.59Å; I41-T92 VanDerWaalsContact O-CA 3.28Å; I41-T92 WeakPolarHBondContact O-CA 3.12Å; I41-L93 HydrophobicContact CB-CB 4.39Å; I41-L93 HydrophobicContact CD1-CD2 4.41Å; I41-L93 PolarHBondContact N-O 2.83Å; I41-L93 PolarHBondContact O-N 3.38Å; I41-Y106 HydrophobicContact CD1-CD2 3.96Å; I41-Y106 HydrophobicContact CD1-CG 4.01Å
42	T	98.1	Very high	97	Very high	66 Å²	66	65 Å²	65	41%	0.405	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	151.2	175.7	64.4	0	0	0	0	110.8	Q26 S27 Y91	Q26-T42 CarbonylContact C-O 3.56Å; Q26-T42 VanDerWaalsContact CA-O 3.27Å; Q26-T42 WeakPolarHBondContact CA-O 3.48Å; S27-T42 WeakPolarHBondContact CB-OG1 3.45Å; S27-T42 PolarHBondContact N-O 2.81Å; S27-T42 PolarHBondContact OG-N 3.42Å; T42-Y91 WeakPolarHBondContact CA-O 3.37Å
43	C	98.3	Very high	97.2	Very high	2 Å²	2	60 Å²	60	1%	0.014	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	133.5	174	175.7	0	0	0	0	109.5	M24 T25 Q26 W55 Y91 C108	M24-C43 WeakPolarHBondContact CE-SG 3Å; T25-C43 CarbonylContact O-C 3.56Å; T25-C43 WeakPolarHBondContact O-CA 3.45Å; Q26-C43 HydrophobicContact CG-CB 4.16Å; C43-W55 HydrophobicContact CB-CH2 3.5Å; C43-W55 VanDerWaalsContact CB-CH2 3.5Å; C43-W55 HydrophobicContact CB-CZ2 3.74Å; C43-W55 HydrophobicContact CB-CZ3 4.4Å; C43-Y91 PolarHBondContact N-O 3.34Å; C43-Y91 PolarHBondContact O-N 2.94Å; C43-C108 HydrophobicContact CB-CB 3.56Å; C43-C108 WeakPolarHBondContact CB-SG 3.24Å; C43-C108 WeakPolarHBondContact SG-CB 3.48Å; C43-C108 CovalentContact SG-SG 2.01Å; C43-C108 PolarHBondContact SG-SG 2.79Å
44	K	98.2	Very high	97.5	Very high	102 Å²	102	57.6 Å²	57.6	44%	0.443	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.2	-177.4	-171.7	179.9	-169.5	89	0	110.6	M24 T25 K89 D90	M24-K44 WeakPolarHBondContact CA-O 3.39Å; T25-K44 PolarHBondContact N-O 2.81Å; T25-K44 PolarHBondContact O-N 2.91Å; K44-K89 CarbonylContact C-O 3.54Å; K44-K89 VanDerWaalsContact CA-O 3.22Å; K44-K89 WeakPolarHBondContact CA-O 3.28Å; K44-D90 IonicContact NZ-OD1 2.73Å; K44-D90 PolarHBondContact NZ-OD1 3.24Å; K44-D90 IonicContact NZ-OD2 3.52Å
45	A	97.4	Very high	97.6	Very high	2 Å²	2	53 Å²	53	2%	0.017	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	145.3	172.3	0	0	0	0	0	111.1	I22 Q23 M24 D47 I49 K89	I22-A45 HydrophobicContact CG2-CB 4.07Å; Q23-A45 CarbonylContact O-C 3.53Å; Q23-A45 WeakPolarHBondContact O-CA 3.36Å; M24-A45 HydrophobicContact CE-CB 3.8Å; M24-A45 HydrophobicContact SD-CB 3.68Å; A45-D47 WeakPolarHBondContact CB-O 3.18Å; A45-D47 PolarHBondContact O-N 2.95Å; A45-I49 HydrophobicContact CB-CD1 3.94Å; A45-I49 HydrophobicContact CB-CG1 4.21Å; A45-I49 HydrophobicContact CB-CG2 4.27Å; A45-K89 PolarHBondContact N-O 3.01Å; A45-K89 WeakPolarHBondContact O-CE 3.47Å
46	S	96	Very high	97.6	Very high	58 Å²	58	50.3 Å²	50.3	41%	0.406	26%	0.264	S	S	.	.	S	Bend	trans	-66.5	-22.8	173.9	63.1	0	0	0	0	112.7	I22 Q23 K89	I22-S46 WeakPolarHBondContact CA-OG 3.44Å; Q23-S46 PolarHBondContact N-OG 3.11Å; Q23-S46 PolarHBondContact O-N 2.91Å; S46-K89 VanDerWaalsContact C-CE 3.49Å; S46-K89 VanDerWaalsContact O-CE 3.24Å; S46-K89 WeakPolarHBondContact O-CE 3.4Å; S46-K89 PolarHBondContact O-NZ 3.26Å
47	D	95.4	Very high	97.7	Very high	97 Å²	97	49.4 Å²	49.4	52%	0.519	25%	0.247	S	C	.	.	S	Bend	trans	-139	169.7	177.4	-153.2	-6.5	0	0	0	112.3	I22 A45 I49	I22-D47 HydrophobicContact CG1-CB 4.45Å; A45-D47 WeakPolarHBondContact CB-O 3.18Å; A45-D47 PolarHBondContact O-N 2.95Å; D47-I49 PolarHBondContact O-N 3.43Å
48	H	97	Very high	97.7	Very high	103 Å²	103	50.9 Å²	50.9	48%	0.477	25%	0.248	S	C	.	.			trans	-72.2	115.3	-178.4	-178.6	-70.8	0	0	0	111.8	N50 G88 K89	H48-N50 VanDerWaalsContact CE1-CA 3.49Å; H48-N50 WeakPolarHBondContact CE1-CA 3.39Å; H48-N50 PolarHBondContact CE1-N 3Å; H48-N50 PolarHBondContact ND1-N 2.82Å; H48-G88 WeakPolarHBondContact CD2-CA 3.34Å; H48-G88 WeakPolarHBondContact NE2-CA 3.39Å; H48-K89 HydrophobicContact CB-CG 4.38Å
49	I	97.7	Very high	97.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.236	C	C	.	.			trans	-112.6	17.4	-179.2	66.2	175.3	0	0	0	113.6	I22 M24 A45 D47 N51 W52 L53 G88 Y91 Q110 W112	I22-I49 HydrophobicContact CD1-CG2 3.59Å; I22-I49 HydrophobicContact CG2-CG2 3.98Å; M24-I49 HydrophobicContact CE-CD1 4.1Å; M24-I49 HydrophobicContact SD-CD1 4.44Å; A45-I49 HydrophobicContact CB-CD1 3.94Å; A45-I49 HydrophobicContact CB-CG1 4.21Å; A45-I49 HydrophobicContact CB-CG2 4.27Å; D47-I49 PolarHBondContact O-N 3.43Å; I49-N51 PolarHBondContact O-N 3.36Å; I49-W52 WeakPolarHBondContact O-CB 3.45Å; I49-W52 PolarHBondContact O-N 3.09Å; I49-L53 HydrophobicContact CD1-CB 4.31Å; I49-L53 HydrophobicContact CD1-CD1 4.01Å; I49-G88 WeakPolarHBondContact CG1-O 3.35Å; I49-G88 PolarHBondContact N-O 3.02Å; I49-Y91 HydrophobicContact CD1-CE2 3.74Å; I49-Y91 HydrophobicContact CG1-CE2 3.79Å; I49-Y91 WeakPolarHBondContact CG1-OH 3.49Å; I49-Q110 HydrophobicContact CD1-CB 3.41Å; I49-Q110 VanDerWaalsContact CD1-CB 3.41Å; I49-Q110 HydrophobicContact CG2-CB 4.17Å; I49-W112 HydrophobicContact CB-CB 3.71Å; I49-W112 HydrophobicContact CB-CG 4.09Å; I49-W112 HydrophobicContact CG2-CB 3.82Å; I49-W112 HydrophobicContact CG2-CG 4.15Å
50	N	97.7	Very high	97.6	Very high	72 Å²	72	52 Å²	52	39%	0.385	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	-105.3	-178.5	-171.7	-18.5	0	0	0	113.1	H48 S87 G88 Y91 W112	H48-N50 VanDerWaalsContact CE1-CA 3.49Å; H48-N50 WeakPolarHBondContact CE1-CA 3.39Å; H48-N50 PolarHBondContact CE1-N 3Å; H48-N50 PolarHBondContact ND1-N 2.82Å; N50-S87 CarbonylContact O-C 3.53Å; N50-S87 WeakPolarHBondContact O-CA 3.33Å; N50-G88 PolarHBondContact O-N 3.02Å; N50-Y91 PolarHBondContact O-OH 2.01Å; N50-W112 HydrophobicContact CB-CE3 4.44Å; N50-W112 HydrophobicContact CB-CZ3 4.08Å
51	N	98	Very high	97.6	Very high	65 Å²	65	53.1 Å²	53.1	35%	0.348	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	16.4	173	66.1	-21.7	0	0	0	111.6	I49 L53 G70 A71	I49-N51 PolarHBondContact O-N 3.36Å; N51-L53 PolarHBondContact O-N 2.86Å; N51-G70 CarbonylContact O-C 3.39Å; N51-G70 WeakPolarHBondContact O-CA 3.1Å; N51-A71 HydrophobicContact CB-CB 4.38Å; N51-A71 PolarHBondContact O-N 3Å
52	W	98.2	Very high	97.6	Very high	109 Å²	109	56.3 Å²	56.3	41%	0.413	31%	0.31	S	S	.	.			trans	-81.5	56.2	-174.7	-66.3	67.3	0	0	0	111	I49 Q110 Y111 W112	I49-W52 WeakPolarHBondContact O-CB 3.45Å; I49-W52 PolarHBondContact O-N 3.09Å; W52-Q110 CarbonylContact O-C 3.5Å; W52-Q110 VanDerWaalsContact O-CA 3.31Å; W52-Q110 WeakPolarHBondContact O-CA 3.11Å; W52-Y111 HydrophobicContact CB-CD2 4.17Å; W52-Y111 HydrophobicContact CB-CE2 3.96Å; W52-Y111 HydrophobicContact CB-CG 4.45Å; W52-Y111 HydrophobicContact CD2-CD2 4.08Å; W52-Y111 AromaticContact CD2-CE2 3.77Å; W52-Y111 HydrophobicContact CD2-CE2 3.77Å; W52-Y111 AromaticContact CE3-CD2 3.17Å; W52-Y111 HydrophobicContact CE3-CD2 3.17Å; W52-Y111 AromaticContact CE3-CE2 3.17Å; W52-Y111 HydrophobicContact CE3-CE2 3.17Å; W52-Y111 HydrophobicContact CE3-CG 4.29Å; W52-Y111 HydrophobicContact CG-CE2 4.15Å; W52-Y111 AromaticContact CZ3-CD2 3.78Å; W52-Y111 HydrophobicContact CZ3-CD2 3.78Å; W52-Y111 AromaticContact CZ3-CE2 3.76Å; W52-Y111 HydrophobicContact CZ3-CE2 3.76Å; W52-Y111 WeakPolarHBondContact O-CD1 3.22Å; W52-Y111 PolarHBondContact O-N 3.21Å; W52-W112 HydrophobicContact CB-CB 3.9Å; W52-W112 HydrophobicContact CB-CE3 4.23Å; W52-W112 AromaticContact CD1-CE3 3.31Å; W52-W112 AromaticContact CD1-CZ3 3.63Å; W52-W112 HydrophobicContact CD2-CE3 4.05Å; W52-W112 HydrophobicContact CG-CB 4.4Å; W52-W112 AromaticContact CG-CE3 3.6Å; W52-W112 HydrophobicContact CG-CE3 3.6Å; W52-W112 HydrophobicContact CG-CZ3 4.31Å; W52-W112 AromaticContact NE1-CE3 3.63Å; W52-W112 AromaticContact NE1-CZ3 3.55Å
53	L	98.5	Very high	97.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.2	177.3	-172.4	112.6	0	0	0	110.4	M24 I49 N51 W55 G70 A71 Y91 C108 Q109	M24-L53 HydrophobicContact CE-CD1 3.53Å; I49-L53 HydrophobicContact CD1-CB 4.31Å; I49-L53 HydrophobicContact CD1-CD1 4.01Å; N51-L53 PolarHBondContact O-N 2.86Å; L53-W55 HydrophobicContact CD2-CD2 4.42Å; L53-W55 HydrophobicContact CD2-CG 4.44Å; L53-W55 HydrophobicContact CD2-CZ2 4.26Å; L53-W55 VanDerWaalsContact CD2-NE1 3.29Å; L53-G70 PolarHBondContact O-N 2.91Å; L53-A71 HydrophobicContact CB-CB 4.37Å; L53-A71 PolarHBondContact O-N 2.85Å; L53-Y91 HydrophobicContact CB-CD1 3.95Å; L53-Y91 HydrophobicContact CB-CE1 3.9Å; L53-Y91 HydrophobicContact CB-CG 4.3Å; L53-Y91 HydrophobicContact CD1-CD1 4.33Å; L53-Y91 HydrophobicContact CD1-CD2 3.66Å; L53-Y91 HydrophobicContact CD1-CE2 4.08Å; L53-Y91 HydrophobicContact CD1-CG 3.81Å; L53-Y91 HydrophobicContact CD2-CD1 3.82Å; L53-Y91 HydrophobicContact CD2-CD2 4.45Å; L53-Y91 HydrophobicContact CD2-CG 3.73Å; L53-Y91 HydrophobicContact CG-CD1 4.24Å; L53-Y91 HydrophobicContact CG-CD2 4.44Å; L53-Y91 HydrophobicContact CG-CG 4.14Å; L53-C108 HydrophobicContact CD1-CB 4.09Å; L53-C108 HydrophobicContact CD2-CB 4.42Å; L53-C108 HydrophobicContact CG-CB 4.44Å; L53-Q109 WeakPolarHBondContact CA-O 3.24Å
54	A	98.7	Very high	97.6	Very high	2 Å²	2	59.8 Å²	59.8	2%	0.017	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.9	172.9	0	0	0	0	0	110.2	Y56 L66 I68 C108 Q109 Y111	A54-Y56 HydrophobicContact CB-CD2 4.41Å; A54-Y56 HydrophobicContact CB-CE2 3.55Å; A54-L66 HydrophobicContact CB-CD1 3.81Å; A54-I68 CarbonylContact C-O 3.57Å; A54-I68 WeakPolarHBondContact CA-O 3.42Å; A54-C108 CarbonylContact O-C 3.07Å; A54-C108 WeakPolarHBondContact O-CA 3.32Å; A54-Q109 PolarHBondContact N-O 3.25Å; A54-Q109 PolarHBondContact O-N 2.84Å; A54-Y111 HydrophobicContact CB-CD1 4.11Å; A54-Y111 HydrophobicContact CB-CE1 3.88Å
55	W	98.7	Very high	97.6	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.6	169.4	-70.6	100	0	0	0	109.9	I41 C43 L53 L67 I68 L93 Y107 C108	I41-W55 HydrophobicContact CB-CH2 4.38Å; I41-W55 HydrophobicContact CB-CZ3 4.49Å; I41-W55 HydrophobicContact CG2-CH2 3.98Å; I41-W55 HydrophobicContact CG2-CZ3 3.97Å; C43-W55 HydrophobicContact CB-CH2 3.5Å; C43-W55 VanDerWaalsContact CB-CH2 3.5Å; C43-W55 HydrophobicContact CB-CZ2 3.74Å; C43-W55 HydrophobicContact CB-CZ3 4.4Å; L53-W55 HydrophobicContact CD2-CD2 4.42Å; L53-W55 HydrophobicContact CD2-CG 4.44Å; L53-W55 HydrophobicContact CD2-CZ2 4.26Å; L53-W55 VanDerWaalsContact CD2-NE1 3.29Å; W55-L67 HydrophobicContact CB-CB 4.45Å; W55-L67 WeakPolarHBondContact O-CB 3.28Å; W55-L67 PolarHBondContact O-N 2.83Å; W55-I68 HydrophobicContact CB-CB 4.08Å; W55-I68 HydrophobicContact CB-CG1 4.4Å; W55-I68 HydrophobicContact CG-CB 4.49Å; W55-I68 PolarHBondContact N-O 3.21Å; W55-I68 PolarHBondContact O-N 3.15Å; W55-L93 HydrophobicContact CD2-CB 3.7Å; W55-L93 HydrophobicContact CD2-CD2 4.16Å; W55-L93 HydrophobicContact CD2-CG 4.39Å; W55-L93 HydrophobicContact CE3-CB 3.91Å; W55-L93 HydrophobicContact CE3-CD2 3.91Å; W55-L93 HydrophobicContact CG-CB 4.27Å; W55-L93 HydrophobicContact CG-CD1 4.39Å; W55-L93 HydrophobicContact CG-CD2 4.48Å; W55-L93 HydrophobicContact CH2-CB 3.93Å; W55-L93 HydrophobicContact CZ2-CB 3.74Å; W55-L93 HydrophobicContact CZ3-CB 4.02Å; W55-L93 HydrophobicContact CZ3-CD2 4.4Å; W55-Y107 CarbonylContact C-O 3.2Å; W55-Y107 WeakPolarHBondContact CA-O 3.2Å; W55-C108 HydrophobicContact CD2-CB 4.16Å; W55-C108 HydrophobicContact CE3-CB 3.83Å; W55-C108 HydrophobicContact CH2-CB 3.92Å; W55-C108 HydrophobicContact CZ2-CB 4.21Å; W55-C108 HydrophobicContact CZ3-CB 3.71Å
56	Y	98.5	Very high	97.6	Very high	57 Å²	57	66.2 Å²	66.2	22%	0.224	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.2	177.7	-62.5	-95.7	0	0	0	110.6	A54 P64 R65 L66 Y106 Y107 Q109	A54-Y56 HydrophobicContact CB-CD2 4.41Å; A54-Y56 HydrophobicContact CB-CE2 3.55Å; Y56-P64 HydrophobicContact CD1-CB 4.41Å; Y56-R65 CarbonylContact C-O 3.51Å; Y56-R65 WeakPolarHBondContact CA-O 3.36Å; Y56-L66 HydrophobicContact CD1-CB 4.38Å; Y56-L66 HydrophobicContact CD1-CD1 4.47Å; Y56-L66 HydrophobicContact CE1-CB 4.12Å; Y56-L66 HydrophobicContact CE1-CD1 3.97Å; Y56-L66 HydrophobicContact CE2-CD1 4.5Å; Y56-Y106 VanDerWaalsContact O-CA 3.28Å; Y56-Y106 WeakPolarHBondContact O-CA 3.37Å; Y56-Y107 PolarHBondContact N-O 2.84Å; Y56-Y107 PolarHBondContact O-N 2.85Å; Y56-Q109 HydrophobicContact CD2-CB 4.43Å; Y56-Q109 HydrophobicContact CE2-CB 3.9Å; Y56-Q109 PolarHBondContact OH-OE1 3.26Å
57	Q	98.1	Very high	97.7	Very high	28 Å²	28	63.8 Å²	63.8	13%	0.131	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.2	169.9	-175.9	-171.4	70.7	0	0	109.2	R65 L67 A104 Y106	Q57-R65 PolarHBondContact N-O 2.91Å; Q57-R65 PolarHBondContact O-N 2.83Å; Q57-L67 HydrophobicContact CB-CD1 4.48Å; Q57-A104 HydrophobicContact CG-CB 3.49Å; Q57-A104 VanDerWaalsContact CG-CB 3.49Å; Q57-Y106 HydrophobicContact CB-CD1 4.17Å; Q57-Y106 HydrophobicContact CB-CE1 3.89Å; Q57-Y106 HydrophobicContact CG-CD1 4.33Å; Q57-Y106 HydrophobicContact CG-CE1 3.74Å; Q57-Y106 PolarHBondContact NE2-OH 2.79Å
58	Q	98	Very high	97.9	Very high	55 Å²	55	59.2 Å²	59.2	26%	0.257	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	109.8	173.9	-169.9	176.4	16.8	0	0	110.5	N62 P64 A104 T105 Y107	Q58-N62 VanDerWaalsContact CG-O 3.27Å; Q58-N62 WeakPolarHBondContact CG-O 3.46Å; Q58-N62 PolarHBondContact NE2-O 3.44Å; Q58-P64 HydrophobicContact CB-CB 4.32Å; Q58-P64 HydrophobicContact CB-CG 4.23Å; Q58-P64 HydrophobicContact CG-CG 4.13Å; Q58-A104 WeakPolarHBondContact O-CB 3.38Å; Q58-T105 PolarHBondContact N-O 2.91Å; Q58-T105 PolarHBondContact O-N 2.66Å; Q58-Y107 HydrophobicContact CB-CD2 4.43Å; Q58-Y107 HydrophobicContact CB-CE2 3.8Å; Q58-Y107 VanDerWaalsContact OE1-CE2 3.24Å; Q58-Y107 PolarHBondContact OE1-OH 3.03Å
59	K	96.5	Very high	98	Very high	79 Å²	79	56.1 Å²	56.1	34%	0.343	31%	0.313	S	S	.	.			trans	-78	151.5	171	-65.6	-175	179.1	-169	0	110.1	G61 N62 E101 A104	K59-G61 PolarHBondContact O-N 2.91Å; K59-N62 HydrophobicContact CB-CB 4.41Å; K59-N62 WeakPolarHBondContact O-CB 3.41Å; K59-N62 PolarHBondContact O-N 2.88Å; K59-E101 WeakPolarHBondContact CE-O 3.31Å; K59-E101 PolarHBondContact NZ-O 3.02Å; K59-A104 HydrophobicContact CG-CB 4.21Å
60	P	95.9	Very high	98	Very high	111 Å²	111	56.7 Å²	56.7	72%	0.721	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	133.1	176.7	-27.9	35.3	0	0	0	112.2	N62	P60-N62 PolarHBondContact O-N 3.24Å; P60-N62 PolarHBondContact O-ND2 3.28Å; P60-N62 VanDerWaalsContact O-ND2 3.15Å
61	G	97.1	Very high	98	Very high	93 Å²	93	53.3 Å²	53.3	96%	0.959	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	0.4	179.7	0	0	0	0	0	116.1	K59	K59-G61 PolarHBondContact O-N 2.91Å
62	N	97.6	Very high	98.1	Very high	81 Å²	81	54 Å²	54	43%	0.433	31%	0.308	S	S	.	.	S	Bend	trans	-109	160.2	179.5	-68	-75.9	0	0	0	111.6	Q58 K59 P60	Q58-N62 VanDerWaalsContact CG-O 3.27Å; Q58-N62 WeakPolarHBondContact CG-O 3.46Å; Q58-N62 PolarHBondContact NE2-O 3.44Å; K59-N62 HydrophobicContact CB-CB 4.41Å; K59-N62 WeakPolarHBondContact O-CB 3.41Å; K59-N62 PolarHBondContact O-N 2.88Å; P60-N62 PolarHBondContact O-N 3.24Å; P60-N62 PolarHBondContact O-ND2 3.28Å; P60-N62 VanDerWaalsContact O-ND2 3.15Å
63	A	97.9	Very high	98.1	Very high	74 Å²	74	51.9 Å²	51.9	61%	0.612	31%	0.31	S	S	*	.			trans	-71.4	151.6	166.9	0	0	0	0	0	110.9
64	P	98	Very high	98.1	Very high	67 Å²	67	55.3 Å²	55.3	44%	0.435	33%	0.327	S	S	.	.			trans	-57.5	138.3	171.8	-22.1	32.8	0	0	0	111.7	Y56 Q58	Y56-P64 HydrophobicContact CD1-CB 4.41Å; Q58-P64 HydrophobicContact CB-CB 4.32Å; Q58-P64 HydrophobicContact CB-CG 4.23Å; Q58-P64 HydrophobicContact CG-CG 4.13Å
65	R	98.3	Very high	98.1	Very high	179 Å²	179	58.7 Å²	58.7	68%	0.675	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	140.6	175.2	-64.5	-173.6	179.1	-170.2	-0.5	110.3	Y56 Q57 L67	Y56-R65 CarbonylContact C-O 3.51Å; Y56-R65 WeakPolarHBondContact CA-O 3.36Å; Q57-R65 PolarHBondContact N-O 2.91Å; Q57-R65 PolarHBondContact O-N 2.83Å; R65-L67 PolarHBondContact O-N 2.86Å
66	L	98.6	Very high	98.1	Very high	60 Å²	60	65.1 Å²	65.1	31%	0.314	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	130.8	175.4	-177	63	0	0	0	109.7	A54 Y56 E75	A54-L66 HydrophobicContact CB-CD1 3.81Å; Y56-L66 HydrophobicContact CD1-CB 4.38Å; Y56-L66 HydrophobicContact CD1-CD1 4.47Å; Y56-L66 HydrophobicContact CE1-CB 4.12Å; Y56-L66 HydrophobicContact CE1-CD1 3.97Å; Y56-L66 HydrophobicContact CE2-CD1 4.5Å; L66-E75 WeakPolarHBondContact CD2-OE2 3.2Å; L66-E75 HydrophobicContact CG-CG 4.48Å
67	L	98.5	Very high	98	Very high	8 Å²	8	66 Å²	66	4%	0.042	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-47.7	-179.4	-173.2	77.9	0	0	0	110.7	W55 Q57 R65 E75 V78 F82 L93 Y106	W55-L67 HydrophobicContact CB-CB 4.45Å; W55-L67 WeakPolarHBondContact O-CB 3.28Å; W55-L67 PolarHBondContact O-N 2.83Å; Q57-L67 HydrophobicContact CB-CD1 4.48Å; R65-L67 PolarHBondContact O-N 2.86Å; L67-E75 PolarHBondContact O-N 3.27Å; L67-V78 HydrophobicContact CD1-CB 4.31Å; L67-V78 HydrophobicContact CD1-CG1 3.42Å; L67-V78 VanDerWaalsContact CD1-CG1 3.42Å; L67-V78 HydrophobicContact CD1-CG2 3.86Å; L67-V78 HydrophobicContact CG-CG1 4.05Å; L67-F82 HydrophobicContact CD1-CD1 4.15Å; L67-F82 HydrophobicContact CD1-CE1 4.29Å; L67-F82 HydrophobicContact CD1-CG 4.25Å; L67-F82 HydrophobicContact CD2-CD1 3.71Å; L67-F82 HydrophobicContact CD2-CE1 4.1Å; L67-F82 HydrophobicContact CD2-CG 4.38Å; L67-F82 HydrophobicContact CG-CD1 4.36Å; L67-L93 HydrophobicContact CD2-CD1 3.84Å; L67-L93 HydrophobicContact CD2-CD2 4.03Å; L67-Y106 HydrophobicContact CD2-CD1 4.22Å; L67-Y106 HydrophobicContact CD2-CE1 4.02Å
68	I	98.9	Very high	98	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	133.4	-178.1	-52.4	-170.5	0	0	0	108.5	A54 W55 S73 L74 S83 L93	A54-I68 CarbonylContact C-O 3.57Å; A54-I68 WeakPolarHBondContact CA-O 3.42Å; W55-I68 HydrophobicContact CB-CB 4.08Å; W55-I68 HydrophobicContact CB-CG1 4.4Å; W55-I68 HydrophobicContact CG-CB 4.49Å; W55-I68 PolarHBondContact N-O 3.21Å; W55-I68 PolarHBondContact O-N 3.15Å; I68-S73 CarbonylContact C-O 3.56Å; I68-S73 VanDerWaalsContact CA-O 3.24Å; I68-S73 WeakPolarHBondContact CA-O 3.37Å; I68-S73 WeakPolarHBondContact CG2-O 3.22Å; I68-L74 HydrophobicContact CD1-CD2 3.92Å; I68-L74 HydrophobicContact CG1-CD2 3.86Å; I68-S83 VanDerWaalsContact CD1-C 3.5Å; I68-L93 HydrophobicContact CD1-CD1 3.59Å; I68-L93 HydrophobicContact CG1-CD1 4.47Å
69	S	98.5	Very high	98.1	Very high	39 Å²	39	65.8 Å²	65.8	27%	0.273	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	164.4	171.1	63.7	0	0	0	0	110.8	A71 T72 S73	S69-A71 PolarHBondContact O-N 2.89Å; S69-A71 VanDerWaalsContact O-N 3.09Å; S69-T72 PolarHBondContact O-N 2.86Å; S69-S73 PolarHBondContact N-O 2.88Å; S69-S73 WeakPolarHBondContact O-CB 3.24Å; S69-S73 PolarHBondContact O-N 2.79Å
70	G	98.4	Very high	98.1	Very high	12 Å²	12	67.4 Å²	67.4	12%	0.124	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	31.7	-180	0	0	0	0	0	114.4	N51 L53 T72 Y111	N51-G70 CarbonylContact O-C 3.39Å; N51-G70 WeakPolarHBondContact O-CA 3.1Å; L53-G70 PolarHBondContact O-N 2.91Å; G70-T72 PolarHBondContact O-N 2.82Å; G70-Y111 WeakPolarHBondContact CA-OH 3.48Å; G70-Y111 PolarHBondContact N-OH 2.91Å
71	A	98.5	Very high	98.3	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	-24.3	-171.7	0	0	0	0	0	117.2	N51 L53 S69 G84 S85 Y91	N51-A71 HydrophobicContact CB-CB 4.38Å; N51-A71 PolarHBondContact O-N 3Å; L53-A71 HydrophobicContact CB-CB 4.37Å; L53-A71 PolarHBondContact O-N 2.85Å; S69-A71 PolarHBondContact O-N 2.89Å; S69-A71 VanDerWaalsContact O-N 3.09Å; A71-G84 CarbonylContact O-C 3.6Å; A71-G84 WeakPolarHBondContact O-CA 3.43Å; A71-S85 PolarHBondContact O-N 2.94Å; A71-Y91 HydrophobicContact CB-CD1 3.73Å; A71-Y91 HydrophobicContact CB-CE1 3.75Å
72	T	98.6	Very high	98.3	Very high	80 Å²	80	59.6 Å²	59.6	49%	0.491	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.4	-19	-170.5	61.5	0	0	0	0	115.3	S69 G70 L74	S69-T72 PolarHBondContact O-N 2.86Å; G70-T72 PolarHBondContact O-N 2.82Å; T72-L74 PolarHBondContact O-N 3.04Å
73	S	98.7	Very high	98.4	Very high	65 Å²	65	58.1 Å²	58.1	46%	0.455	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	114.4	-172.9	-61.4	0	0	0	0	111.2	I68 S69	I68-S73 CarbonylContact C-O 3.56Å; I68-S73 VanDerWaalsContact CA-O 3.24Å; I68-S73 WeakPolarHBondContact CA-O 3.37Å; I68-S73 WeakPolarHBondContact CG2-O 3.22Å; S69-S73 PolarHBondContact N-O 2.88Å; S69-S73 WeakPolarHBondContact O-CB 3.24Å; S69-S73 PolarHBondContact O-N 2.79Å
74	L	98.7	Very high	98.4	Very high	71 Å²	71	55.1 Å²	55.1	37%	0.372	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	136.8	176.8	-69.9	164.7	0	0	0	110.9	I68 T72 V78 F82	I68-L74 HydrophobicContact CD1-CD2 3.92Å; I68-L74 HydrophobicContact CG1-CD2 3.86Å; T72-L74 PolarHBondContact O-N 3.04Å; L74-V78 HydrophobicContact CB-CB 4.47Å; L74-V78 HydrophobicContact CD2-CB 4.23Å; L74-V78 HydrophobicContact CD2-CG1 3.61Å; L74-F82 HydrophobicContact CD2-CB 3.79Å; L74-F82 WeakPolarHBondContact CD2-O 3.33Å
75	E	98.4	Very high	98.4	Very high	74 Å²	74	54.6 Å²	54.6	35%	0.346	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-69.8	156.6	172.5	-170.4	51.8	-125.6	0	0	111.1	L66 L67 G77 V78	L66-E75 WeakPolarHBondContact CD2-OE2 3.2Å; L66-E75 HydrophobicContact CG-CG 4.48Å; L67-E75 PolarHBondContact O-N 3.27Å; E75-G77 PolarHBondContact O-N 2.74Å; E75-V78 HydrophobicContact CB-CG2 3.9Å; E75-V78 WeakPolarHBondContact O-CB 3.45Å; E75-V78 WeakPolarHBondContact O-CG2 3.22Å; E75-V78 PolarHBondContact O-N 3.37Å; E75-V78 VanDerWaalsContact O-N 3.1Å
76	T	98.1	Very high	98.4	Very high	134 Å²	134	47.7 Å²	47.7	82%	0.822	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	129.3	-177.8	-59.5	0	0	0	0	111.4	V78	T76-V78 VanDerWaalsContact C-N 3.31Å
77	G	97.8	Very high	98.4	Very high	77 Å²	77	48.6 Å²	48.6	79%	0.794	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-1.6	179.9	0	0	0	0	0	114.8	E75	E75-G77 PolarHBondContact O-N 2.74Å
78	V	98.2	Very high	98.4	Very high	29 Å²	29	48.6 Å²	48.6	18%	0.176	33%	0.331	C	S	.	.			trans	-74.7	127.2	171.7	179.2	0	0	0	0	109.7	L67 L74 E75 T76 F82	L67-V78 HydrophobicContact CD1-CB 4.31Å; L67-V78 HydrophobicContact CD1-CG1 3.42Å; L67-V78 VanDerWaalsContact CD1-CG1 3.42Å; L67-V78 HydrophobicContact CD1-CG2 3.86Å; L67-V78 HydrophobicContact CG-CG1 4.05Å; L74-V78 HydrophobicContact CB-CB 4.47Å; L74-V78 HydrophobicContact CD2-CB 4.23Å; L74-V78 HydrophobicContact CD2-CG1 3.61Å; E75-V78 HydrophobicContact CB-CG2 3.9Å; E75-V78 WeakPolarHBondContact O-CB 3.45Å; E75-V78 WeakPolarHBondContact O-CG2 3.22Å; E75-V78 PolarHBondContact O-N 3.37Å; E75-V78 VanDerWaalsContact O-N 3.1Å; T76-V78 VanDerWaalsContact C-N 3.31Å; V78-F82 HydrophobicContact CG1-CB 3.91Å; V78-F82 HydrophobicContact CG1-CD2 3.83Å; V78-F82 HydrophobicContact CG1-CG 4.01Å
79	P	98.4	Very high	98.4	Very high	49 Å²	49	52.2 Å²	52.2	32%	0.318	35%	0.346	S	S	.	.			trans	-59.6	143.6	179.5	-28.1	37.2	0	0	0	113.3	R81 F82	P79-R81 HydrophobicContact CB-CG 3.67Å; P79-R81 PolarHBondContact O-N 2.75Å; P79-F82 HydrophobicContact CB-CD2 4.15Å; P79-F82 HydrophobicContact CB-CE2 4.39Å; P79-F82 HydrophobicContact CG-CD2 4.41Å; P79-F82 HydrophobicContact CG-CE2 4.29Å; P79-F82 WeakPolarHBondContact O-CD2 3.35Å; P79-F82 PolarHBondContact O-N 2.8Å
80	S	98.1	Very high	98.4	Very high	113 Å²	113	54.4 Å²	54.4	79%	0.79	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-9.2	178.8	61.2	0	0	0	0	114.6	F82	S80-F82 PolarHBondContact O-N 3.18Å
81	R	98.1	Very high	98.4	Very high	35 Å²	35	54 Å²	54	13%	0.132	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.2	170.6	50	168.5	-173.5	-84.7	5.3	113.1	P79 I95 T96 E101 D102	P79-R81 HydrophobicContact CB-CG 3.67Å; P79-R81 PolarHBondContact O-N 2.75Å; R81-I95 HydrophobicContact CG-CG2 4.5Å; R81-I95 CarbonylContact O-C 3.58Å; R81-I95 WeakPolarHBondContact O-CA 3.38Å; R81-T96 VanDerWaalsContact CA-OG1 3.3Å; R81-T96 WeakPolarHBondContact CA-OG1 3.39Å; R81-T96 WeakPolarHBondContact CB-O 3.26Å; R81-T96 PolarHBondContact O-N 3.33Å; R81-T96 PolarHBondContact O-OG1 3.15Å; R81-E101 IonicContact CZ-OE1 2.87Å; R81-E101 IonicContact NH1-OE1 3.17Å; R81-E101 IonicContact NH2-OE1 2.74Å; R81-E101 PolarHBondContact NH2-OE1 3.18Å; R81-D102 IonicContact CZ-OD1 3.63Å; R81-D102 IonicContact CZ-OD2 2.75Å; R81-D102 IonicContact NE-OD1 3.62Å; R81-D102 PolarHBondContact NE-OD1 2.83Å; R81-D102 IonicContact NE-OD2 3.38Å; R81-D102 PolarHBondContact NE-OD2 2.89Å; R81-D102 IonicContact NH2-OD1 3.62Å; R81-D102 PolarHBondContact NH2-OD1 2.94Å; R81-D102 IonicContact NH2-OD2 3.81Å
82	F	98.7	Very high	98.4	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.018	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	142.5	173.8	-66.7	-89.3	0	0	0	110	L67 L74 V78 P79 S80 L93 S94 I95 D102 Y106	L67-F82 HydrophobicContact CD1-CD1 4.15Å; L67-F82 HydrophobicContact CD1-CE1 4.29Å; L67-F82 HydrophobicContact CD1-CG 4.25Å; L67-F82 HydrophobicContact CD2-CD1 3.71Å; L67-F82 HydrophobicContact CD2-CE1 4.1Å; L67-F82 HydrophobicContact CD2-CG 4.38Å; L67-F82 HydrophobicContact CG-CD1 4.36Å; L74-F82 HydrophobicContact CD2-CB 3.79Å; L74-F82 WeakPolarHBondContact CD2-O 3.33Å; V78-F82 HydrophobicContact CG1-CB 3.91Å; V78-F82 HydrophobicContact CG1-CD2 3.83Å; V78-F82 HydrophobicContact CG1-CG 4.01Å; P79-F82 HydrophobicContact CB-CD2 4.15Å; P79-F82 HydrophobicContact CB-CE2 4.39Å; P79-F82 HydrophobicContact CG-CD2 4.41Å; P79-F82 HydrophobicContact CG-CE2 4.29Å; P79-F82 WeakPolarHBondContact O-CD2 3.35Å; P79-F82 PolarHBondContact O-N 2.8Å; S80-F82 PolarHBondContact O-N 3.18Å; F82-L93 HydrophobicContact CD1-CD1 4.48Å; F82-S94 CarbonylContact C-O 3.54Å; F82-S94 WeakPolarHBondContact CA-O 3.33Å; F82-I95 HydrophobicContact CD1-CD1 4.09Å; F82-I95 HydrophobicContact CD1-CG1 3.7Å; F82-I95 HydrophobicContact CD1-CG2 4.34Å; F82-I95 HydrophobicContact CE1-CD1 3.5Å; F82-I95 VanDerWaalsContact CE1-CD1 3.5Å; F82-I95 HydrophobicContact CE1-CG1 3.64Å; F82-I95 HydrophobicContact CE1-CG2 4.14Å; F82-I95 HydrophobicContact CZ-CD1 4.28Å; F82-I95 HydrophobicContact CZ-CG2 4.31Å; F82-D102 HydrophobicContact CZ-CB 4.2Å; F82-D102 VanDerWaalsContact CZ-OD1 3.24Å; F82-D102 WeakPolarHBondContact CZ-OD1 3.28Å; F82-Y106 AromaticContact CE1-CE1 3.94Å; F82-Y106 HydrophobicContact CE1-CE1 3.94Å
83	S	98.7	Very high	98.4	Very high	50 Å²	50	51.8 Å²	51.8	35%	0.35	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	140.8	172.4	63.8	0	0	0	0	110.8	I68 S94	I68-S83 VanDerWaalsContact CD1-C 3.5Å; S83-S94 PolarHBondContact N-O 3.03Å; S83-S94 PolarHBondContact O-N 2.74Å
84	G	98.6	Very high	98.3	Very high	12 Å²	12	48.9 Å²	48.9	12%	0.124	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	150.6	172.5	0	0	0	0	0	110.7	A71 T92	A71-G84 CarbonylContact O-C 3.6Å; A71-G84 WeakPolarHBondContact O-CA 3.43Å; G84-T92 CarbonylContact C-O 3.56Å; G84-T92 WeakPolarHBondContact CA-O 3.48Å
85	S	98.4	Very high	98.3	Very high	56 Å²	56	45.6 Å²	45.6	39%	0.392	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	157.6	174.5	63.1	0	0	0	0	111	A71 Y91 T92	A71-S85 PolarHBondContact O-N 2.94Å; S85-Y91 CarbonylContact O-C 3.5Å; S85-Y91 WeakPolarHBondContact O-CA 3.21Å; S85-T92 PolarHBondContact N-O 3.01Å; S85-T92 PolarHBondContact O-N 2.73Å
86	G	98.2	Very high	98.3	Very high	33 Å²	33	45 Å²	45	34%	0.34	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	119.4	168.7	173.2	0	0	0	0	0	113.6	D90	G86-D90 VanDerWaalsContact CA-O 3.26Å; G86-D90 WeakPolarHBondContact CA-O 3.39Å
87	S	97.9	Very high	98.3	Very high	80 Å²	80	41.6 Å²	41.6	56%	0.559	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-162.9	166	178.9	60.1	0	0	0	0	110.4	N50 K89 D90	N50-S87 CarbonylContact O-C 3.53Å; N50-S87 WeakPolarHBondContact O-CA 3.33Å; S87-K89 PolarHBondContact O-N 3.33Å; S87-D90 PolarHBondContact N-O 2.89Å
88	G	98.2	Very high	98.3	Very high	7 Å²	7	38.9 Å²	38.9	7%	0.072	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	-98.9	-178.2	0	0	0	0	0	110.3	H48 I49 N50 Y91	H48-G88 WeakPolarHBondContact CD2-CA 3.34Å; H48-G88 WeakPolarHBondContact NE2-CA 3.39Å; I49-G88 WeakPolarHBondContact CG1-O 3.35Å; I49-G88 PolarHBondContact N-O 3.02Å; N50-G88 PolarHBondContact O-N 3.02Å; G88-Y91 PolarHBondContact N-OH 2.94Å; G88-Y91 PolarHBondContact O-OH 2.89Å
89	K	98.2	Very high	98.3	Very high	76 Å²	76	41 Å²	41	33%	0.33	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-16.7	-174.2	-57.3	-172.2	67.9	164.6	0	114.4	K44 A45 S46 H48 S87	K44-K89 CarbonylContact C-O 3.54Å; K44-K89 VanDerWaalsContact CA-O 3.22Å; K44-K89 WeakPolarHBondContact CA-O 3.28Å; A45-K89 PolarHBondContact N-O 3.01Å; A45-K89 WeakPolarHBondContact O-CE 3.47Å; S46-K89 VanDerWaalsContact C-CE 3.49Å; S46-K89 VanDerWaalsContact O-CE 3.24Å; S46-K89 WeakPolarHBondContact O-CE 3.4Å; S46-K89 PolarHBondContact O-NZ 3.26Å; H48-K89 HydrophobicContact CB-CG 4.38Å; S87-K89 PolarHBondContact O-N 3.33Å
90	D	98.5	Very high	98.2	Very high	85 Å²	85	43.4 Å²	43.4	46%	0.455	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.1	-167.6	-63.1	-76.9	0	0	0	110.5	K44 G86 S87	K44-D90 IonicContact NZ-OD1 2.73Å; K44-D90 PolarHBondContact NZ-OD1 3.24Å; K44-D90 IonicContact NZ-OD2 3.52Å; G86-D90 VanDerWaalsContact CA-O 3.26Å; G86-D90 WeakPolarHBondContact CA-O 3.39Å; S87-D90 PolarHBondContact N-O 2.89Å
91	Y	98.6	Very high	98.1	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	156.7	-172	-58.1	-88.7	0	0	0	111.5	T42 C43 I49 N50 L53 A71 S85 G88	T42-Y91 WeakPolarHBondContact CA-O 3.37Å; C43-Y91 PolarHBondContact N-O 3.34Å; C43-Y91 PolarHBondContact O-N 2.94Å; I49-Y91 HydrophobicContact CD1-CE2 3.74Å; I49-Y91 HydrophobicContact CG1-CE2 3.79Å; I49-Y91 WeakPolarHBondContact CG1-OH 3.49Å; N50-Y91 PolarHBondContact O-OH 2.01Å; L53-Y91 HydrophobicContact CB-CD1 3.95Å; L53-Y91 HydrophobicContact CB-CE1 3.9Å; L53-Y91 HydrophobicContact CB-CG 4.3Å; L53-Y91 HydrophobicContact CD1-CD1 4.33Å; L53-Y91 HydrophobicContact CD1-CD2 3.66Å; L53-Y91 HydrophobicContact CD1-CE2 4.08Å; L53-Y91 HydrophobicContact CD1-CG 3.81Å; L53-Y91 HydrophobicContact CD2-CD1 3.82Å; L53-Y91 HydrophobicContact CD2-CD2 4.45Å; L53-Y91 HydrophobicContact CD2-CG 3.73Å; L53-Y91 HydrophobicContact CG-CD1 4.24Å; L53-Y91 HydrophobicContact CG-CD2 4.44Å; L53-Y91 HydrophobicContact CG-CG 4.14Å; A71-Y91 HydrophobicContact CB-CD1 3.73Å; A71-Y91 HydrophobicContact CB-CE1 3.75Å; S85-Y91 CarbonylContact O-C 3.5Å; S85-Y91 WeakPolarHBondContact O-CA 3.21Å; G88-Y91 PolarHBondContact N-OH 2.94Å; G88-Y91 PolarHBondContact O-OH 2.89Å
92	T	98.4	Very high	98	Very high	33 Å²	33	40.7 Å²	40.7	20%	0.202	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	136.5	179.5	-62.6	0	0	0	0	110.8	T40 I41 G84 S85	T40-T92 HydrophobicContact CG2-CG2 3.51Å; I41-T92 CarbonylContact O-C 3.59Å; I41-T92 VanDerWaalsContact O-CA 3.28Å; I41-T92 WeakPolarHBondContact O-CA 3.12Å; G84-T92 CarbonylContact C-O 3.56Å; G84-T92 WeakPolarHBondContact CA-O 3.48Å; S85-T92 PolarHBondContact N-O 3.01Å; S85-T92 PolarHBondContact O-N 2.73Å
93	L	98.5	Very high	97.9	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.7	162.8	175.4	65.2	0	0	0	108.3	T40 I41 W55 L67 I68 F82 Y106	T40-L93 WeakPolarHBondContact CA-O 3.17Å; I41-L93 HydrophobicContact CB-CB 4.39Å; I41-L93 HydrophobicContact CD1-CD2 4.41Å; I41-L93 PolarHBondContact N-O 2.83Å; I41-L93 PolarHBondContact O-N 3.38Å; W55-L93 HydrophobicContact CD2-CB 3.7Å; W55-L93 HydrophobicContact CD2-CD2 4.16Å; W55-L93 HydrophobicContact CD2-CG 4.39Å; W55-L93 HydrophobicContact CE3-CB 3.91Å; W55-L93 HydrophobicContact CE3-CD2 3.91Å; W55-L93 HydrophobicContact CG-CB 4.27Å; W55-L93 HydrophobicContact CG-CD1 4.39Å; W55-L93 HydrophobicContact CG-CD2 4.48Å; W55-L93 HydrophobicContact CH2-CB 3.93Å; W55-L93 HydrophobicContact CZ2-CB 3.74Å; W55-L93 HydrophobicContact CZ3-CB 4.02Å; W55-L93 HydrophobicContact CZ3-CD2 4.4Å; L67-L93 HydrophobicContact CD2-CD1 3.84Å; L67-L93 HydrophobicContact CD2-CD2 4.03Å; I68-L93 HydrophobicContact CD1-CD1 3.59Å; I68-L93 HydrophobicContact CG1-CD1 4.47Å; F82-L93 HydrophobicContact CD1-CD1 4.48Å; L93-Y106 HydrophobicContact CD2-CD1 3.52Å; L93-Y106 HydrophobicContact CD2-CE1 4.09Å; L93-Y106 HydrophobicContact CD2-CG 4.04Å
94	S	98.2	Very high	97.8	Very high	5 Å²	5	44.3 Å²	44.3	4%	0.035	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143.8	172.6	-68.7	0	0	0	0	110.8	R38 V39 F82 S83	R38-S94 PolarHBondContact NH2-OG 2.84Å; R38-S94 VanDerWaalsContact NH2-OG 3.11Å; V39-S94 CarbonylContact O-C 3.54Å; V39-S94 VanDerWaalsContact O-CA 3.28Å; V39-S94 WeakPolarHBondContact O-CA 3.37Å; F82-S94 CarbonylContact C-O 3.54Å; F82-S94 WeakPolarHBondContact CA-O 3.33Å; S83-S94 PolarHBondContact N-O 3.03Å; S83-S94 PolarHBondContact O-N 2.74Å
95	I	98.2	Very high	97.7	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	119	169.6	-44.3	176.5	0	0	0	107.1	R38 V39 R81 F82 L98 Y106	R38-I95 WeakPolarHBondContact CA-O 3.27Å; V39-I95 HydrophobicContact CB-CB 4.09Å; V39-I95 HydrophobicContact CB-CD1 4.2Å; V39-I95 HydrophobicContact CB-CG1 4.17Å; V39-I95 HydrophobicContact CG1-CD1 4.4Å; V39-I95 PolarHBondContact N-O 3.46Å; V39-I95 PolarHBondContact O-N 2.79Å; R81-I95 HydrophobicContact CG-CG2 4.5Å; R81-I95 CarbonylContact O-C 3.58Å; R81-I95 WeakPolarHBondContact O-CA 3.38Å; F82-I95 HydrophobicContact CD1-CD1 4.09Å; F82-I95 HydrophobicContact CD1-CG1 3.7Å; F82-I95 HydrophobicContact CD1-CG2 4.34Å; F82-I95 HydrophobicContact CE1-CD1 3.5Å; F82-I95 VanDerWaalsContact CE1-CD1 3.5Å; F82-I95 HydrophobicContact CE1-CG1 3.64Å; F82-I95 HydrophobicContact CE1-CG2 4.14Å; F82-I95 HydrophobicContact CZ-CD1 4.28Å; F82-I95 HydrophobicContact CZ-CG2 4.31Å; I95-L98 HydrophobicContact CD1-CD1 4.33Å; I95-Y106 HydrophobicContact CD1-CE1 4.41Å; I95-Y106 HydrophobicContact CD1-CE2 4.3Å
96	T	97.6	Very high	97.6	Very high	60 Å²	60	45.7 Å²	45.7	37%	0.368	27%	0.272	S	S	.	.	S	Bend	trans	-96.3	120.9	177.3	55.9	0	0	0	0	109.5	R81	R81-T96 VanDerWaalsContact CA-OG1 3.3Å; R81-T96 WeakPolarHBondContact CA-OG1 3.39Å; R81-T96 WeakPolarHBondContact CB-O 3.26Å; R81-T96 PolarHBondContact O-N 3.33Å; R81-T96 PolarHBondContact O-OG1 3.15Å
97	S	97.8	Very high	97.6	Very high	64 Å²	64	48.7 Å²	48.7	45%	0.448	27%	0.274	S	S	.	.	S	Bend	trans	64.8	73.6	-173.9	-162.9	0	0	0	0	113	G37 Q99	G37-S97 WeakPolarHBondContact O-CA 3.49Å; G37-S97 PolarHBondContact O-N 3.36Å; S97-Q99 WeakPolarHBondContact O-CG 3.45Å; S97-Q99 PolarHBondContact O-N 2.95Å
98	L	97.9	Very high	97.6	Very high	19 Å²	19	45.4 Å²	45.4	10%	0.099	25%	0.251	C	S	.	.			trans	-55.6	129.4	178.4	-177.7	68.7	0	0	0	112	V33 L35 G36 G37 V39 I95 D102	V33-L98 HydrophobicContact CB-CD2 3.97Å; V33-L98 HydrophobicContact CG1-CD2 4.17Å; V33-L98 WeakPolarHBondContact O-CD2 3.27Å; L35-L98 WeakPolarHBondContact CA-O 3.4Å; G36-L98 PolarHBondContact N-O 2.86Å; G37-L98 PolarHBondContact O-N 3.41Å; V39-L98 HydrophobicContact CG2-CB 4.42Å; V39-L98 HydrophobicContact CG2-CD1 3.88Å; V39-L98 HydrophobicContact CG2-CD2 3.99Å; V39-L98 HydrophobicContact CG2-CG 4.33Å; I95-L98 HydrophobicContact CD1-CD1 4.33Å; L98-D102 HydrophobicContact CD1-CB 3.59Å
99	Q	98.2	Very high	97.5	Very high	74 Å²	74	49 Å²	49	35%	0.346	27%	0.266	S	S	.	.			trans	-113.2	163.5	177	-54.4	-168.3	-24.7	0	0	111.6	S97 E101 D102	S97-Q99 WeakPolarHBondContact O-CG 3.45Å; S97-Q99 PolarHBondContact O-N 2.95Å; Q99-E101 WeakPolarHBondContact CB-OE2 3.33Å; Q99-E101 PolarHBondContact O-N 2.71Å; Q99-E101 PolarHBondContact OE1-OE1 3.08Å; Q99-D102 PolarHBondContact N-OD2 2.79Å; Q99-D102 WeakPolarHBondContact O-CB 3.01Å; Q99-D102 PolarHBondContact O-N 2.79Å
100	T	96.6	Very high	97.5	Very high	100 Å²	100	46 Å²	46	61%	0.613	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-59.6	-35.5	-176.9	-55.9	0	0	0	0	112.1	D102 V103	T100-D102 PolarHBondContact O-N 2.85Å; T100-V103 WeakPolarHBondContact O-CG2 3.26Å; T100-V103 PolarHBondContact O-N 3.32Å
101	E	96.6	Very high	97.4	Very high	86 Å²	86	45.9 Å²	45.9	40%	0.402	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-74.4	-8.3	179	72.5	-87.9	-157.5	0	0	114.6	K59 R81 Q99 V103	K59-E101 WeakPolarHBondContact CE-O 3.31Å; K59-E101 PolarHBondContact NZ-O 3.02Å; R81-E101 IonicContact CZ-OE1 2.87Å; R81-E101 IonicContact NH1-OE1 3.17Å; R81-E101 IonicContact NH2-OE1 2.74Å; R81-E101 PolarHBondContact NH2-OE1 3.18Å; Q99-E101 WeakPolarHBondContact CB-OE2 3.33Å; Q99-E101 PolarHBondContact O-N 2.71Å; Q99-E101 PolarHBondContact OE1-OE1 3.08Å; E101-V103 VanDerWaalsContact C-N 3.33Å
102	D	96.9	Very high	97.3	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-86.9	-7.1	177.1	-57.4	-27.6	0	0	0	112	R81 F82 L98 Q99 T100 A104 Y106	R81-D102 IonicContact CZ-OD1 3.63Å; R81-D102 IonicContact CZ-OD2 2.75Å; R81-D102 IonicContact NE-OD1 3.62Å; R81-D102 PolarHBondContact NE-OD1 2.83Å; R81-D102 IonicContact NE-OD2 3.38Å; R81-D102 PolarHBondContact NE-OD2 2.89Å; R81-D102 IonicContact NH2-OD1 3.62Å; R81-D102 PolarHBondContact NH2-OD1 2.94Å; R81-D102 IonicContact NH2-OD2 3.81Å; F82-D102 HydrophobicContact CZ-CB 4.2Å; F82-D102 VanDerWaalsContact CZ-OD1 3.24Å; F82-D102 WeakPolarHBondContact CZ-OD1 3.28Å; L98-D102 HydrophobicContact CD1-CB 3.59Å; Q99-D102 PolarHBondContact N-OD2 2.79Å; Q99-D102 WeakPolarHBondContact O-CB 3.01Å; Q99-D102 PolarHBondContact O-N 2.79Å; T100-D102 PolarHBondContact O-N 2.85Å; D102-A104 PolarHBondContact O-N 2.83Å; D102-Y106 WeakPolarHBondContact O-CE2 3.34Å; D102-Y106 PolarHBondContact O-OH 2.75Å
103	V	95.1	Very high	97	Very high	103 Å²	103	53 Å²	53	62%	0.624	28%	0.28	S	S	*	.			trans	-68.2	103.3	175.2	-179.1	0	0	0	0	109.1	T100 E101	T100-V103 WeakPolarHBondContact O-CG2 3.26Å; T100-V103 PolarHBondContact O-N 3.32Å; E101-V103 VanDerWaalsContact C-N 3.33Å
104	A	96.4	Very high	96.4	Very high	27 Å²	27	58.5 Å²	58.5	22%	0.223	31%	0.313	C	S	.	.	S	Bend	trans	-160.3	169	-173	0	0	0	0	0	110	Q57 Q58 K59 D102 Y106	Q57-A104 HydrophobicContact CG-CB 3.49Å; Q57-A104 VanDerWaalsContact CG-CB 3.49Å; Q58-A104 WeakPolarHBondContact O-CB 3.38Å; K59-A104 HydrophobicContact CG-CB 4.21Å; D102-A104 PolarHBondContact O-N 2.83Å; A104-Y106 HydrophobicContact CB-CE2 4.05Å; A104-Y106 WeakPolarHBondContact O-CD2 3.02Å
105	T	96.7	Very high	95.3	Very high	76 Å²	76	64.5 Å²	64.5	47%	0.466	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	138.2	164.7	-49.5	0	0	0	0	109.3	Q58 Y107	Q58-T105 PolarHBondContact N-O 2.91Å; Q58-T105 PolarHBondContact O-N 2.66Å; T105-Y107 HydrophobicContact CG2-CE1 3.89Å; T105-Y107 HydrophobicContact CG2-CE2 3.75Å; T105-Y107 VanDerWaalsContact CG2-OH 3.26Å; T105-Y107 WeakPolarHBondContact CG2-OH 3.5Å
106	Y	97.3	Very high	95.2	Very high	21 Å²	21	67.7 Å²	67.7	8%	0.082	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.1	-179.5	-66.3	-92.3	0	0	0	110.8	Q26 I41 Y56 Q57 L67 F82 L93 I95 D102 A104	Q26-Y106 PolarHBondContact NE2-O 2.78Å; I41-Y106 HydrophobicContact CD1-CD2 3.96Å; I41-Y106 HydrophobicContact CD1-CG 4.01Å; Y56-Y106 VanDerWaalsContact O-CA 3.28Å; Y56-Y106 WeakPolarHBondContact O-CA 3.37Å; Q57-Y106 HydrophobicContact CB-CD1 4.17Å; Q57-Y106 HydrophobicContact CB-CE1 3.89Å; Q57-Y106 HydrophobicContact CG-CD1 4.33Å; Q57-Y106 HydrophobicContact CG-CE1 3.74Å; Q57-Y106 PolarHBondContact NE2-OH 2.79Å; L67-Y106 HydrophobicContact CD2-CD1 4.22Å; L67-Y106 HydrophobicContact CD2-CE1 4.02Å; F82-Y106 AromaticContact CE1-CE1 3.94Å; F82-Y106 HydrophobicContact CE1-CE1 3.94Å; L93-Y106 HydrophobicContact CD2-CD1 3.52Å; L93-Y106 HydrophobicContact CD2-CE1 4.09Å; L93-Y106 HydrophobicContact CD2-CG 4.04Å; I95-Y106 HydrophobicContact CD1-CE1 4.41Å; I95-Y106 HydrophobicContact CD1-CE2 4.3Å; D102-Y106 WeakPolarHBondContact O-CE2 3.34Å; D102-Y106 PolarHBondContact O-OH 2.75Å; A104-Y106 HydrophobicContact CB-CE2 4.05Å; A104-Y106 WeakPolarHBondContact O-CD2 3.02Å
107	Y	97.2	Very high	95	Very high	96 Å²	96	68.1 Å²	68.1	38%	0.376	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.6	-179	-55.3	-81.6	0	0	0	110.4	W55 Y56 Q58 T105	W55-Y107 CarbonylContact C-O 3.2Å; W55-Y107 WeakPolarHBondContact CA-O 3.2Å; Y56-Y107 PolarHBondContact N-O 2.84Å; Y56-Y107 PolarHBondContact O-N 2.85Å; Q58-Y107 HydrophobicContact CB-CD2 4.43Å; Q58-Y107 HydrophobicContact CB-CE2 3.8Å; Q58-Y107 VanDerWaalsContact OE1-CE2 3.24Å; Q58-Y107 PolarHBondContact OE1-OH 3.03Å; T105-Y107 HydrophobicContact CG2-CE1 3.89Å; T105-Y107 HydrophobicContact CG2-CE2 3.75Å; T105-Y107 VanDerWaalsContact CG2-OH 3.26Å; T105-Y107 WeakPolarHBondContact CG2-OH 3.5Å
108	C	97.7	Very high	94.9	Very high	11 Å²	11	68.3 Å²	68.3	7%	0.074	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	143	163.1	65.1	0	0	0	0	110	Q26 C43 L53 A54 W55	Q26-C108 WeakPolarHBondContact CG-SG 3.32Å; Q26-C108 PolarHBondContact OE1-SG 3.05Å; Q26-C108 VanDerWaalsContact OE1-SG 3.34Å; C43-C108 HydrophobicContact CB-CB 3.56Å; C43-C108 WeakPolarHBondContact CB-SG 3.24Å; C43-C108 WeakPolarHBondContact SG-CB 3.48Å; C43-C108 CovalentContact SG-SG 2.01Å; C43-C108 PolarHBondContact SG-SG 2.79Å; L53-C108 HydrophobicContact CD1-CB 4.09Å; L53-C108 HydrophobicContact CD2-CB 4.42Å; L53-C108 HydrophobicContact CG-CB 4.44Å; A54-C108 CarbonylContact O-C 3.07Å; A54-C108 WeakPolarHBondContact O-CA 3.32Å; W55-C108 HydrophobicContact CD2-CB 4.16Å; W55-C108 HydrophobicContact CE3-CB 3.83Å; W55-C108 HydrophobicContact CH2-CB 3.92Å; W55-C108 HydrophobicContact CZ2-CB 4.21Å; W55-C108 HydrophobicContact CZ3-CB 3.71Å
109	Q	97.3	Very high	94.7	Very high	83 Å²	83	71.2 Å²	71.2	39%	0.388	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	133.9	176	-172.1	-134.4	-44.9	0	0	108.9	L53 A54 Y56	L53-Q109 WeakPolarHBondContact CA-O 3.24Å; A54-Q109 PolarHBondContact N-O 3.25Å; A54-Q109 PolarHBondContact O-N 2.84Å; Y56-Q109 HydrophobicContact CD2-CB 4.43Å; Y56-Q109 HydrophobicContact CE2-CB 3.9Å; Y56-Q109 PolarHBondContact OH-OE1 3.26Å
110	Q	97.4	Very high	94.5	Very high	14 Å²	14	71 Å²	71	7%	0.065	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	144.7	165.9	71.6	81.2	20.6	0	0	110.2	I22 M24 I49 W52 S113	I22-Q110 HydrophobicContact CB-CG 4.05Å; I22-Q110 HydrophobicContact CG2-CG 3.97Å; M24-Q110 HydrophobicContact CE-CB 4.33Å; M24-Q110 HydrophobicContact CG-CB 4.45Å; M24-Q110 HydrophobicContact CG-CG 4.2Å; M24-Q110 HydrophobicContact SD-CB 3.68Å; M24-Q110 HydrophobicContact SD-CG 3.71Å; I49-Q110 HydrophobicContact CD1-CB 3.41Å; I49-Q110 VanDerWaalsContact CD1-CB 3.41Å; I49-Q110 HydrophobicContact CG2-CB 4.17Å; W52-Q110 CarbonylContact O-C 3.5Å; W52-Q110 VanDerWaalsContact O-CA 3.31Å; W52-Q110 WeakPolarHBondContact O-CA 3.11Å; Q110-S113 PolarHBondContact NE2-O 2.92Å; Q110-S113 VanDerWaalsContact OE1-N 3.12Å; Q110-S113 PolarHBondContact OE1-O 3.14Å
111	Y	96.5	Very high	94.4	Very high	82 Å²	82	69.1 Å²	69.1	32%	0.322	37%	0.367	S	S	.	.			trans	-130.5	25.8	172.1	56.5	-85.9	0	0	0	111.7	W52 A54 G70	W52-Y111 HydrophobicContact CB-CD2 4.17Å; W52-Y111 HydrophobicContact CB-CE2 3.96Å; W52-Y111 HydrophobicContact CB-CG 4.45Å; W52-Y111 HydrophobicContact CD2-CD2 4.08Å; W52-Y111 AromaticContact CD2-CE2 3.77Å; W52-Y111 HydrophobicContact CD2-CE2 3.77Å; W52-Y111 AromaticContact CE3-CD2 3.17Å; W52-Y111 HydrophobicContact CE3-CD2 3.17Å; W52-Y111 AromaticContact CE3-CE2 3.17Å; W52-Y111 HydrophobicContact CE3-CE2 3.17Å; W52-Y111 HydrophobicContact CE3-CG 4.29Å; W52-Y111 HydrophobicContact CG-CE2 4.15Å; W52-Y111 AromaticContact CZ3-CD2 3.78Å; W52-Y111 HydrophobicContact CZ3-CD2 3.78Å; W52-Y111 AromaticContact CZ3-CE2 3.76Å; W52-Y111 HydrophobicContact CZ3-CE2 3.76Å; W52-Y111 WeakPolarHBondContact O-CD1 3.22Å; W52-Y111 PolarHBondContact O-N 3.21Å; A54-Y111 HydrophobicContact CB-CD1 4.11Å; A54-Y111 HydrophobicContact CB-CE1 3.88Å; G70-Y111 WeakPolarHBondContact CA-OH 3.48Å; G70-Y111 PolarHBondContact N-OH 2.91Å
112	W	96.2	Very high	94.2	Very high	125 Å²	125	67.9 Å²	67.9	47%	0.473	37%	0.365	S	S	.	.	S	Bend	trans	-72.9	-42.2	175.7	176.2	-105.6	0	0	0	112.5	I49 N50 W52	I49-W112 HydrophobicContact CB-CB 3.71Å; I49-W112 HydrophobicContact CB-CG 4.09Å; I49-W112 HydrophobicContact CG2-CB 3.82Å; I49-W112 HydrophobicContact CG2-CG 4.15Å; N50-W112 HydrophobicContact CB-CE3 4.44Å; N50-W112 HydrophobicContact CB-CZ3 4.08Å; W52-W112 HydrophobicContact CB-CB 3.9Å; W52-W112 HydrophobicContact CB-CE3 4.23Å; W52-W112 AromaticContact CD1-CE3 3.31Å; W52-W112 AromaticContact CD1-CZ3 3.63Å; W52-W112 HydrophobicContact CD2-CE3 4.05Å; W52-W112 HydrophobicContact CG-CB 4.4Å; W52-W112 AromaticContact CG-CE3 3.6Å; W52-W112 HydrophobicContact CG-CE3 3.6Å; W52-W112 HydrophobicContact CG-CZ3 4.31Å; W52-W112 AromaticContact NE1-CE3 3.63Å; W52-W112 AromaticContact NE1-CZ3 3.55Å
113	S	92.1	Very high	94	Very high	61 Å²	61	72.8 Å²	72.8	43%	0.427	39%	0.391	S	S	.	.			trans	-137.6	153.7	179.2	-170.8	0	0	0	0	110.4	Q110	Q110-S113 PolarHBondContact NE2-O 2.92Å; Q110-S113 VanDerWaalsContact OE1-N 3.12Å; Q110-S113 PolarHBondContact OE1-O 3.14Å
114	T	86.2	Confident	93.9	Very high	115 Å²	115	70.3 Å²	70.3	71%	0.706	37%	0.372	S	S	*	.			trans	-84.8	156.3	164.1	59.2	0	0	0	0	110.1
115	P	75.7	Confident	93.7	Very high	132 Å²	132	74.2 Å²	74.2	86%	0.857	39%	0.385	S	S	*	.			trans	-58.2	0	167.2	-20.7	31.8	0	0	0	113.5	D21	D21-P115 HydrophobicContact CB-CB 4.07Å; D21-P115 HydrophobicContact CB-CG 4.49Å

Retrieved 115 of 115 residues in 149.3 ms (Link to these results)

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