KVD30_HUMAN Loading...

Immunoglobulin kappa variable 2D-30

V region of the variable domain of immunoglobulin light chains that participates in the antigen recognition¹. Immunoglobulins, also known as antibodies, are membrane-bound or secreted glycoproteins produced by B lymphocytes. In the recognition phase of humoral immunity, the membrane-bound immunoglobulins serve as receptors which, upon binding of a specific antigen, trigger the clonal expansion and differentiation of B lymphocytes into immunoglobulins-secreting plasma cells. Secreted immunoglobulins mediate the effector phase of humoral immunity, which results in the elimination of bound antigens^2,3. The antigen binding site is formed by the variable domain of one heavy chain, together with that of its associated light chain. Thus, each immunoglobulin has two antigen binding sites with remarkable affinity for a particular antigen. The variable domains are assembled by a process called V-(D)-J rearrangement and can then be subjected to somatic hypermutations which, after exposure to antigen and selection, allow affinity maturation for a particular antigen^4,5.

AlphaFold DB , UniProt , Accession A0A075B6S6, Species HUMAN (Homo sapiens, Human), Gene IGKV2D-30, Length 120 aa.

						>KVD30_HUMAN|A0A075B6S6|IGKV2D-30
MRLPAQLLGLLMLWVPGSSGDVVMTQSPLSLPVTLGQPASISCRSSQSLVYSDGNTYLNWFQQRPGQSPRRLIYKVSNWDSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCMQGTHWP
					

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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	42.2	Very low	56.1	Low	239 Å²	239	137.5 Å²	137.5	100%	1.177	72%	0.723	S	S	*	*				0	107	0	-70.5	161.6	166.3	0	0	107.8
2	R	54.9	Low	56.4	Low	247 Å²	247	138 Å²	138	93%	0.932	72%	0.722	S	S	*	*			trans	-92.6	109.6	175.3	-71.9	-174.9	176.4	-179.6	-0.8	106.8
3	L	57.1	Low	56.9	Low	156 Å²	156	138.8 Å²	138.8	82%	0.817	73%	0.727	S	S	*	*			trans	-63	126.5	168.4	-87.6	94.7	0	0	0	107.7	A5	L3-A5 PolarHBondContact O-N 3.32Å
4	P	54.4	Low	57.3	Low	75 Å²	75	144.1 Å²	144.1	49%	0.487	73%	0.732	S	S	.	*			trans	-73	128.6	-173.7	28.1	-30.9	0	0	0	109.5	Q6 L7	P4-Q6 PolarHBondContact O-N 2.99Å; P4-L7 PolarHBondContact O-N 3.26Å; P4-L7 VanDerWaalsContact O-N 3.07Å
5	A	61.4	Low	57.8	Low	85 Å²	85	141.7 Å²	141.7	70%	0.702	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.8	-17.3	177.2	0	0	0	0	0	114.2	L3 L7 L8 G9	L3-A5 PolarHBondContact O-N 3.32Å; A5-L7 VanDerWaalsContact C-N 3.31Å; A5-L7 PolarHBondContact O-N 3.49Å; A5-L8 WeakPolarHBondContact O-CB 3.43Å; A5-L8 PolarHBondContact O-N 3.16Å; A5-G9 PolarHBondContact O-N 3.24Å
6	Q	59.4	Low	58	Low	159 Å²	159	140 Å²	140	74%	0.743	73%	0.728	S	S	*	*	H	α-helix	trans	-63.4	-31.9	176.7	-60.3	-174.3	-86.2	0	0	113.4	P4 L8 G9 L10	P4-Q6 PolarHBondContact O-N 2.99Å; Q6-L8 VanDerWaalsContact C-N 3.29Å; Q6-L8 PolarHBondContact O-N 3.45Å; Q6-G9 PolarHBondContact O-N 3.48Å; Q6-L10 PolarHBondContact O-N 2.83Å
7	L	56.8	Low	58.2	Low	126 Å²	126	135.9 Å²	135.9	66%	0.66	73%	0.728	S	S	*	*	H	α-helix	trans	-67.3	-33.9	177.8	-132.7	89.7	0	0	0	111.5	P4 A5 L10 L11	P4-L7 PolarHBondContact O-N 3.26Å; P4-L7 VanDerWaalsContact O-N 3.07Å; A5-L7 VanDerWaalsContact C-N 3.31Å; A5-L7 PolarHBondContact O-N 3.49Å; L7-L10 PolarHBondContact O-N 3.47Å; L7-L11 PolarHBondContact O-N 3.19Å
8	L	55.8	Low	58.5	Low	125 Å²	125	134.8 Å²	134.8	65%	0.654	73%	0.733	S	S	*	*	H	α-helix	trans	-68.1	-37.8	177.6	-127	85.4	0	0	0	111.7	A5 Q6 L11 M12	A5-L8 WeakPolarHBondContact O-CB 3.43Å; A5-L8 PolarHBondContact O-N 3.16Å; Q6-L8 VanDerWaalsContact C-N 3.29Å; Q6-L8 PolarHBondContact O-N 3.45Å; L8-L11 PolarHBondContact O-N 2.96Å; L8-M12 PolarHBondContact O-N 3.11Å
9	G	58.5	Low	58.9	Low	42 Å²	42	133.3 Å²	133.3	43%	0.433	73%	0.733	S	S	.	*	H	α-helix	trans	-64.8	-38.6	176.6	0	0	0	0	0	113	A5 Q6	A5-G9 PolarHBondContact O-N 3.24Å; Q6-G9 PolarHBondContact O-N 3.48Å
10	L	57.9	Low	59.6	Low	120 Å²	120	129.1 Å²	129.1	63%	0.628	72%	0.722	S	S	*	*	H	α-helix	trans	-67.4	-34.3	173.7	-106.6	89	0	0	0	112.6	Q6 L7 L13	Q6-L10 PolarHBondContact O-N 2.83Å; L7-L10 PolarHBondContact O-N 3.47Å; L10-L13 PolarHBondContact O-N 2.86Å
11	L	59.3	Low	60.9	Low	138 Å²	138	128.7 Å²	128.7	72%	0.723	72%	0.718	S	S	*	*	H	α-helix	trans	-69.5	-33.2	-178.5	-151.1	80.5	0	0	0	112.6	L7 L8 L13 W14	L7-L11 PolarHBondContact O-N 3.19Å; L8-L11 PolarHBondContact O-N 2.96Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-W14 PolarHBondContact O-N 3.17Å
12	M	59.1	Low	63.3	Low	144 Å²	144	117.8 Å²	117.8	71%	0.709	67%	0.665	S	S	*	*	H	α-helix	trans	-74	-20.6	178.4	-72.4	-73.5	176.3	0	0	113.8	L8 W14	L8-M12 PolarHBondContact O-N 3.11Å; M12-W14 PolarHBondContact O-N 2.77Å
13	L	62.9	Low	65.2	Low	149 Å²	149	110.3 Å²	110.3	78%	0.78	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-5	175.5	-83.9	150.7	0	0	0	113.3	L10 L11	L10-L13 PolarHBondContact O-N 2.86Å; L11-L13 VanDerWaalsContact C-N 3.34Å
14	W	62.4	Low	67.1	Low	213 Å²	213	105.2 Å²	105.2	81%	0.807	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	26.9	178.4	-81.6	69.5	0	0	0	112.9	L11 M12 P16	L11-W14 PolarHBondContact O-N 3.17Å; M12-W14 PolarHBondContact O-N 2.77Å; W14-P16 WeakPolarHBondContact O-CD 3.31Å
15	V	64.5	Low	69.2	Low	108 Å²	108	105.9 Å²	105.9	66%	0.655	62%	0.622	S	S	*	*			trans	-76.3	108.3	166.5	-174.8	0	0	0	0	106.6	G17	V15-G17 PolarHBondContact O-N 3.27Å; V15-G17 VanDerWaalsContact O-N 3.12Å
16	P	61	Low	70.9	Confident	114 Å²	114	104.3 Å²	104.3	74%	0.74	60%	0.6	S	S	*	*			trans	-57.6	124.7	171.8	-16.6	32.9	0	0	0	106.4	W14 S18	W14-P16 WeakPolarHBondContact O-CD 3.31Å; P16-S18 PolarHBondContact O-N 2.93Å
17	G	61.7	Low	72.8	Confident	71 Å²	71	100.2 Å²	100.2	73%	0.732	59%	0.589	S	S	*	*			trans	-49.9	122.4	175.7	0	0	0	0	0	108.4	V15 S19	V15-G17 PolarHBondContact O-N 3.27Å; V15-G17 VanDerWaalsContact O-N 3.12Å; G17-S19 PolarHBondContact O-N 2.87Å
18	S	63.2	Low	74.8	Confident	116 Å²	116	96.7 Å²	96.7	81%	0.811	57%	0.574	S	S	*	*			trans	-59.3	109.4	171.9	176.1	0	0	0	0	106.4	P16 G20	P16-S18 PolarHBondContact O-N 2.93Å; S18-G20 VanDerWaalsContact C-N 3.28Å; S18-G20 PolarHBondContact O-N 3.02Å
19	S	66.3	Low	76.7	Confident	106 Å²	106	99 Å²	99	74%	0.741	59%	0.586	S	S	*	*			trans	-64.6	99.5	165.6	49.2	0	0	0	0	105.8	G17	G17-S19 PolarHBondContact O-N 2.87Å
20	G	74.3	Confident	78.5	Confident	49 Å²	49	101.7 Å²	101.7	51%	0.505	60%	0.598	S	S	.	*			trans	-58.2	153.6	172.7	0	0	0	0	0	110.2	S18	S18-G20 VanDerWaalsContact C-N 3.28Å; S18-G20 PolarHBondContact O-N 3.02Å
21	D	85.3	Confident	80.4	Confident	120 Å²	120	99.4 Å²	99.4	64%	0.642	59%	0.586	S	S	*	*			trans	-59.8	151.2	174.2	-166.7	9.6	0	0	0	111.1	V23	D21-V23 PolarHBondContact O-N 3.05Å
22	V	92.4	Very high	82.2	Confident	11 Å²	11	98.5 Å²	98.5	7%	0.067	59%	0.589	C	S	.	*			trans	-79.3	108.7	178.7	-177.5	0	0	0	0	109.8	M24 Q47 L49 Q115 H118	V22-M24 HydrophobicContact CG1-SD 3.9Å; V22-Q47 HydrophobicContact CG1-CG 4.25Å; V22-Q47 HydrophobicContact CG2-CG 3.81Å; V22-L49 HydrophobicContact CG1-CD2 4.01Å; V22-Q115 HydrophobicContact CB-CG 4.08Å; V22-Q115 HydrophobicContact CG1-CG 3.86Å; V22-H118 HydrophobicContact CG2-CB 3.47Å; V22-H118 VanDerWaalsContact CG2-CB 3.47Å
23	V	95.1	Very high	84	Confident	90 Å²	90	94.9 Å²	94.9	55%	0.545	57%	0.574	S	S	.	*			trans	-81.3	124.6	179.1	-177.4	0	0	0	0	109.5	D21 S45 S46	D21-V23 PolarHBondContact O-N 3.05Å; V23-S45 CarbonylContact O-C 3.52Å; V23-S45 WeakPolarHBondContact O-CA 3.28Å; V23-S46 PolarHBondContact N-OG 2.84Å; V23-S46 VanDerWaalsContact N-OG 3.1Å; V23-S46 PolarHBondContact O-N 2.86Å
24	M	97	Very high	85.7	Confident	49 Å²	49	92.7 Å²	92.7	24%	0.241	57%	0.567	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.5	127.3	174.6	-54.8	-56.4	-59.4	0	0	109.8	V22 C43 R44 S45 L49 L58 Q115	V22-M24 HydrophobicContact CG1-SD 3.9Å; M24-C43 WeakPolarHBondContact CE-SG 3.33Å; M24-R44 CarbonylContact C-O 3.57Å; M24-R44 WeakPolarHBondContact CA-O 3.39Å; M24-S45 VanDerWaalsContact SD-CB 3.56Å; M24-L49 HydrophobicContact CE-CD1 4.21Å; M24-L58 HydrophobicContact CE-CD1 3.81Å; M24-Q115 HydrophobicContact CE-CB 4.33Å; M24-Q115 HydrophobicContact CG-CG 4.26Å; M24-Q115 HydrophobicContact SD-CB 3.81Å; M24-Q115 HydrophobicContact SD-CG 3.64Å
25	T	98.2	Very high	87.4	Confident	88 Å²	88	88 Å²	88	54%	0.54	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.4	132.8	178.8	-54.8	0	0	0	0	110.1	C43 R44	T25-C43 CarbonylContact O-C 3.55Å; T25-C43 WeakPolarHBondContact O-CA 3.32Å; T25-R44 PolarHBondContact N-O 3.02Å; T25-R44 PolarHBondContact O-N 3.27Å
26	Q	98.5	Very high	89	Confident	53 Å²	53	84.8 Å²	84.8	25%	0.248	55%	0.546	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	148.2	-179.8	-55.8	-169.2	128.1	0	0	112.2	S42 Y111 C113	Q26-S42 CarbonylContact C-O 3.54Å; Q26-S42 VanDerWaalsContact CA-O 3.25Å; Q26-S42 WeakPolarHBondContact CA-O 3.49Å; Q26-Y111 PolarHBondContact NE2-O 2.86Å; Q26-C113 PolarHBondContact OE1-SG 3.19Å; Q26-C113 VanDerWaalsContact OE1-SG 3.34Å
27	S	98.5	Very high	90.8	Very high	73 Å²	73	84.8 Å²	84.8	51%	0.51	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	141.9	175	-175	0	0	0	0	111.9	S42	S27-S42 PolarHBondContact N-O 2.74Å; S27-S42 PolarHBondContact O-N 3.33Å
28	P	98.3	Very high	92.5	Very high	52 Å²	52	85.1 Å²	85.1	34%	0.338	53%	0.525	S	S	.	.			cis	-75.3	162.3	-9.6	34.2	-36.2	0	0	0	111.6	S30 L31	P28-S30 VanDerWaalsContact C-N 3.29Å; P28-S30 PolarHBondContact O-N 3.4Å; P28-L31 HydrophobicContact CG-CB 3.93Å; P28-L31 HydrophobicContact CG-CD1 4.11Å; P28-L31 HydrophobicContact CG-CG 4.43Å
29	L	96.1	Very high	94.2	Very high	173 Å²	173	80.1 Å²	80.1	91%	0.906	49%	0.491	S	S	*	.	S	Bend	trans	-69.2	-27.2	176.6	-68	175.2	0	0	0	113.1
30	S	97.6	Very high	95.8	Very high	98 Å²	98	77.6 Å²	77.6	69%	0.685	47%	0.474	S	S	*	.	S	Bend	trans	-142.8	135	174.2	-175	0	0	0	0	108.5	P28	P28-S30 VanDerWaalsContact C-N 3.29Å; P28-S30 PolarHBondContact O-N 3.4Å
31	L	97	Very high	96.9	Very high	72 Å²	72	76.5 Å²	76.5	38%	0.377	46%	0.456	S	S	.	.			trans	-129.8	104.1	-177.1	-177.9	57.3	0	0	0	109.5	P28 V33 A39	P28-L31 HydrophobicContact CG-CB 3.93Å; P28-L31 HydrophobicContact CG-CD1 4.11Å; P28-L31 HydrophobicContact CG-CG 4.43Å; L31-V33 HydrophobicContact CD2-CG1 4.2Å; L31-V33 HydrophobicContact CG-CG1 3.93Å; L31-V33 PolarHBondContact O-N 2.83Å; L31-A39 HydrophobicContact CD2-CB 3.94Å
32	P	97.3	Very high	97.6	Very high	120 Å²	120	73.6 Å²	73.6	78%	0.779	45%	0.445	S	S	*	.			trans	-61.7	131.5	165	-18.7	31.9	0	0	0	109.3
33	V	96.7	Very high	97.9	Very high	68 Å²	68	73.2 Å²	73.2	41%	0.412	44%	0.442	S	S	.	.			trans	-124.3	147.3	-177.1	-67.9	0	0	0	0	111.1	L31 A39 V103	L31-V33 HydrophobicContact CD2-CG1 4.2Å; L31-V33 HydrophobicContact CG-CG1 3.93Å; L31-V33 PolarHBondContact O-N 2.83Å; V33-A39 HydrophobicContact CG1-CB 3.79Å; V33-V103 HydrophobicContact CB-CG1 4.07Å; V33-V103 HydrophobicContact CB-CG2 4.32Å; V33-V103 HydrophobicContact CG1-CG2 4.35Å; V33-V103 HydrophobicContact CG2-CG1 3.8Å
34	T	98.1	Very high	98	Very high	103 Å²	103	76.1 Å²	76.1	63%	0.632	44%	0.444	S	S	*	.			trans	-105.1	131.7	171.7	-58	0	0	0	0	108.5	G36 Q37	T34-G36 PolarHBondContact O-N 2.76Å; T34-Q37 HydrophobicContact CG2-CG 4.03Å; T34-Q37 WeakPolarHBondContact O-CB 3.33Å; T34-Q37 PolarHBondContact O-N 2.97Å; T34-Q37 VanDerWaalsContact O-N 3.11Å
35	L	98	Very high	98	Very high	115 Å²	115	74 Å²	74	60%	0.602	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	139.6	178.1	-63.1	-179.9	0	0	0	111.4	Q37 V103 A105	L35-Q37 PolarHBondContact O-N 2.91Å; L35-V103 WeakPolarHBondContact CA-O 3.46Å; L35-V103 HydrophobicContact CD2-CG1 4.31Å; L35-A105 HydrophobicContact CD2-CB 4.47Å
36	G	98.3	Very high	98	Very high	40 Å²	40	73.4 Å²	73.4	41%	0.412	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	-10.5	-177.5	0	0	0	0	0	115.2	T34 V103	T34-G36 PolarHBondContact O-N 2.76Å; G36-V103 PolarHBondContact N-O 3.28Å
37	Q	98.6	Very high	97.8	Very high	114 Å²	114	74.4 Å²	74.4	53%	0.533	44%	0.438	S	S	.	.	S	Bend	trans	-87.7	157.1	173.8	-65.6	-58.5	-62.7	0	0	111.3	T34 L35 V103	T34-Q37 HydrophobicContact CG2-CG 4.03Å; T34-Q37 WeakPolarHBondContact O-CB 3.33Å; T34-Q37 PolarHBondContact O-N 2.97Å; T34-Q37 VanDerWaalsContact O-N 3.11Å; L35-Q37 PolarHBondContact O-N 2.91Å; Q37-V103 WeakPolarHBondContact O-CG2 3.22Å; Q37-V103 PolarHBondContact O-N 3.14Å
38	P	98.5	Very high	97.6	Very high	77 Å²	77	73.6 Å²	73.6	50%	0.5	43%	0.432	S	S	.	.			trans	-73.7	149.2	173.9	29.9	-34.7	0	0	0	111.7	I100 S101	P38-I100 CarbonylContact C-O 3.59Å; P38-I100 WeakPolarHBondContact CA-O 3.23Å; P38-S101 WeakPolarHBondContact CA-O 3.45Å
39	A	98.5	Very high	97.5	Very high	12 Å²	12	71.1 Å²	71.1	10%	0.099	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	153.9	171.7	0	0	0	0	0	110.1	L31 V33 K99 I100 V103	L31-A39 HydrophobicContact CD2-CB 3.94Å; V33-A39 HydrophobicContact CG1-CB 3.79Å; A39-K99 WeakPolarHBondContact O-CA 3.34Å; A39-I100 PolarHBondContact N-O 2.99Å; A39-I100 PolarHBondContact O-N 2.95Å; A39-V103 HydrophobicContact CB-CG2 3.62Å
40	S	98.6	Very high	97.5	Very high	53 Å²	53	66.1 Å²	66.1	37%	0.371	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	144.7	177.6	-61.5	0	0	0	0	112.1	L98	S40-L98 CarbonylContact C-O 3.56Å; S40-L98 WeakPolarHBondContact CA-O 3.4Å
41	I	98.6	Very high	97.3	Very high	26 Å²	26	66.7 Å²	66.7	13%	0.133	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.8	177.6	-55.4	174.4	0	0	0	107.1	W60 T97 L98 Y111	I41-W60 HydrophobicContact CB-CH2 4.43Å; I41-W60 HydrophobicContact CB-CZ3 4.44Å; I41-W60 HydrophobicContact CG2-CH2 4.22Å; I41-W60 HydrophobicContact CG2-CZ3 4.14Å; I41-T97 CarbonylContact O-C 3.55Å; I41-T97 WeakPolarHBondContact O-CA 3.3Å; I41-L98 HydrophobicContact CB-CB 4.48Å; I41-L98 PolarHBondContact N-O 2.9Å; I41-L98 PolarHBondContact O-N 2.8Å; I41-Y111 HydrophobicContact CD1-CD2 3.99Å; I41-Y111 HydrophobicContact CD1-CG 3.83Å
42	S	98.8	Very high	97.2	Very high	59 Å²	59	68.5 Å²	68.5	41%	0.413	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	144.7	174.2	-62.6	0	0	0	0	110.4	Q26 S27 F96	Q26-S42 CarbonylContact C-O 3.54Å; Q26-S42 VanDerWaalsContact CA-O 3.25Å; Q26-S42 WeakPolarHBondContact CA-O 3.49Å; S27-S42 PolarHBondContact N-O 2.74Å; S27-S42 PolarHBondContact O-N 3.33Å; S42-F96 CarbonylContact C-O 3.48Å; S42-F96 WeakPolarHBondContact CA-O 3.37Å
43	C	98.7	Very high	97.1	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.014	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.3	173.2	172.4	0	0	0	0	109.3	M24 T25 W60 F96 C113	M24-C43 WeakPolarHBondContact CE-SG 3.33Å; T25-C43 CarbonylContact O-C 3.55Å; T25-C43 WeakPolarHBondContact O-CA 3.32Å; C43-W60 HydrophobicContact CB-CH2 3.44Å; C43-W60 VanDerWaalsContact CB-CH2 3.44Å; C43-W60 HydrophobicContact CB-CZ2 3.74Å; C43-W60 HydrophobicContact CB-CZ3 4.33Å; C43-F96 HydrophobicContact CB-CB 4.38Å; C43-F96 PolarHBondContact N-O 2.98Å; C43-F96 PolarHBondContact O-N 3.16Å; C43-C113 HydrophobicContact CB-CB 3.53Å; C43-C113 WeakPolarHBondContact CB-SG 3.4Å; C43-C113 WeakPolarHBondContact SG-CB 3.4Å; C43-C113 CovalentContact SG-SG 2.02Å; C43-C113 PolarHBondContact SG-SG 3.47Å
44	R	98.5	Very high	96.9	Very high	151 Å²	151	65.9 Å²	65.9	57%	0.57	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.2	177.1	-179.7	174.2	-72.6	163.3	-1.8	110.5	M24 T25 T94 D95	M24-R44 CarbonylContact C-O 3.57Å; M24-R44 WeakPolarHBondContact CA-O 3.39Å; T25-R44 PolarHBondContact N-O 3.02Å; T25-R44 PolarHBondContact O-N 3.27Å; R44-T94 CarbonylContact C-O 3.59Å; R44-T94 WeakPolarHBondContact CA-O 3.42Å; R44-D95 IonicContact CZ-OD1 3.23Å; R44-D95 VanDerWaalsContact CZ-OD1 3.23Å; R44-D95 IonicContact NE-OD1 2.79Å; R44-D95 PolarHBondContact NE-OD1 2.8Å; R44-D95 IonicContact NH2-OD1 2.79Å; R44-D95 PolarHBondContact NH2-OD1 2.84Å
45	S	97.6	Very high	96.8	Very high	5 Å²	5	64.2 Å²	64.2	4%	0.035	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	151.9	169.3	58.9	0	0	0	0	111.3	V23 M24 Q47 T94	V23-S45 CarbonylContact O-C 3.52Å; V23-S45 WeakPolarHBondContact O-CA 3.28Å; M24-S45 VanDerWaalsContact SD-CB 3.56Å; S45-Q47 WeakPolarHBondContact CB-O 3.3Å; S45-Q47 PolarHBondContact O-N 2.99Å; S45-Q47 PolarHBondContact OG-O 2.78Å; S45-T94 PolarHBondContact N-O 2.86Å; S45-T94 WeakPolarHBondContact OG-CA 3.14Å; S45-T94 PolarHBondContact OG-O 3.05Å
46	S	96.2	Very high	96.8	Very high	76 Å²	76	59.7 Å²	59.7	53%	0.531	35%	0.353	S	S	.	.	S	Bend	trans	-67.7	-19	176	57.6	0	0	0	0	114.1	V23	V23-S46 PolarHBondContact N-OG 2.84Å; V23-S46 VanDerWaalsContact N-OG 3.1Å; V23-S46 PolarHBondContact O-N 2.86Å
47	Q	94.7	Very high	96.7	Very high	73 Å²	73	60.8 Å²	60.8	34%	0.341	35%	0.345	S	S	.	.	S	Bend	trans	-147.5	164.8	178.8	66.2	-172.4	27.3	0	0	111.2	V22 S45 L49 H118	V22-Q47 HydrophobicContact CG1-CG 4.25Å; V22-Q47 HydrophobicContact CG2-CG 3.81Å; S45-Q47 WeakPolarHBondContact CB-O 3.3Å; S45-Q47 PolarHBondContact O-N 2.99Å; S45-Q47 PolarHBondContact OG-O 2.78Å; Q47-L49 PolarHBondContact O-N 2.93Å; Q47-H118 PolarHBondContact NE2-CD2 3.39Å; Q47-H118 VanDerWaalsContact NE2-CD2 3.28Å; Q47-H118 PolarHBondContact NE2-CE1 3.27Å; Q47-H118 PolarHBondContact NE2-ND1 3.07Å; Q47-H118 VanDerWaalsContact NE2-ND1 3.14Å; Q47-H118 PolarHBondContact NE2-NE2 3.41Å
48	S	95.6	Very high	96.6	Very high	56 Å²	56	55.3 Å²	55.3	39%	0.392	32%	0.32	S	S	.	.			trans	-57.6	131.7	179.3	-176.6	0	0	0	0	111.3	V50 G93 H118	S48-V50 VanDerWaalsContact C-N 3.34Å; S48-V50 PolarHBondContact OG-N 2.81Å; S48-G93 WeakPolarHBondContact CA-O 3.08Å; S48-H118 PolarHBondContact O-NE2 3.07Å
49	L	96.2	Very high	96.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.303	C	S	.	.			trans	-92.8	8.5	175	-58.3	-172	0	0	0	113.3	V22 M24 Q47 Y51 T56 L58 G93 F96 Q115 T117	V22-L49 HydrophobicContact CG1-CD2 4.01Å; M24-L49 HydrophobicContact CE-CD1 4.21Å; Q47-L49 PolarHBondContact O-N 2.93Å; L49-Y51 PolarHBondContact O-N 2.02Å; L49-T56 HydrophobicContact CB-CG2 3.68Å; L49-T56 WeakPolarHBondContact O-CA 3.48Å; L49-L58 HydrophobicContact CD1-CB 4.4Å; L49-L58 HydrophobicContact CD1-CD1 3.73Å; L49-G93 PolarHBondContact N-O 2.83Å; L49-F96 HydrophobicContact CB-CE2 4.43Å; L49-F96 HydrophobicContact CB-CZ 4.09Å; L49-F96 HydrophobicContact CD1-CD2 4.39Å; L49-F96 HydrophobicContact CD1-CE2 3.54Å; L49-F96 HydrophobicContact CD1-CZ 3.85Å; L49-F96 HydrophobicContact CG-CE2 4.03Å; L49-F96 HydrophobicContact CG-CZ 4.2Å; L49-Q115 HydrophobicContact CD1-CB 3.55Å; L49-Q115 HydrophobicContact CD2-CB 3.66Å; L49-Q115 HydrophobicContact CD2-CG 4Å; L49-Q115 HydrophobicContact CG-CB 4.26Å; L49-T117 WeakPolarHBondContact O-CG2 3.1Å; L49-T117 PolarHBondContact O-OG1 2.75Å
50	V	95.6	Very high	96.6	Very high	69 Å²	69	52.3 Å²	52.3	42%	0.418	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-70.7	116.3	172.7	-176.1	0	0	0	0	108.6	S48	S48-V50 VanDerWaalsContact C-N 3.34Å; S48-V50 PolarHBondContact OG-N 2.81Å
51	Y	94.1	Very high	96.6	Very high	109 Å²	109	51.9 Å²	51.9	43%	0.427	29%	0.29	S	S	.	.			trans	-80.2	170.3	176.7	-163.1	-113.2	0	0	0	111.2	L49 D53 G54 N55 Y57 T117	L49-Y51 PolarHBondContact O-N 2.02Å; Y51-D53 HydrophobicContact CD1-CB 4.4Å; Y51-D53 WeakPolarHBondContact CD1-OD1 3.45Å; Y51-D53 PolarHBondContact O-N 2.82Å; Y51-G54 PolarHBondContact O-N 2.86Å; Y51-N55 WeakPolarHBondContact CB-O 3.27Å; Y51-N55 PolarHBondContact N-O 2.8Å; Y51-Y57 AromaticContact CD1-CE2 3.89Å; Y51-Y57 HydrophobicContact CD1-CE2 3.89Å; Y51-Y57 HydrophobicContact CG-CD2 4.32Å; Y51-Y57 AromaticContact CG-CE2 3.8Å; Y51-Y57 HydrophobicContact CG-CE2 3.8Å; Y51-T117 HydrophobicContact CD2-CG2 3.84Å; Y51-T117 HydrophobicContact CG-CG2 4.43Å
52	S	93.2	Very high	96.6	Very high	110 Å²	110	51.1 Å²	51.1	77%	0.769	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.1	-176.4	55.9	0	0	0	0	114.2	G54	S52-G54 VanDerWaalsContact C-N 3.25Å
53	D	95	Very high	96.6	Very high	80 Å²	80	51 Å²	51	43%	0.428	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	4	174.1	72.4	-12	0	0	0	113.3	Y51 N55 Y57	Y51-D53 HydrophobicContact CD1-CB 4.4Å; Y51-D53 WeakPolarHBondContact CD1-OD1 3.45Å; Y51-D53 PolarHBondContact O-N 2.82Å; D53-N55 VanDerWaalsContact C-N 3.25Å; D53-N55 PolarHBondContact O-N 2.79Å; D53-N55 VanDerWaalsContact OD1-CB 3.26Å; D53-N55 WeakPolarHBondContact OD1-CB 3.34Å; D53-N55 PolarHBondContact OD1-N 2.86Å; D53-N55 PolarHBondContact OD2-ND2 2.82Å; D53-Y57 PolarHBondContact OD2-OH 2.89Å
54	G	94.3	Very high	96.5	Very high	53 Å²	53	54.4 Å²	54.4	55%	0.546	29%	0.291	S	S	.	.	S	Bend	trans	80.4	-3.3	-177	0	0	0	0	0	114.4	Y51 S52	Y51-G54 PolarHBondContact O-N 2.86Å; S52-G54 VanDerWaalsContact C-N 3.25Å
55	N	95.2	Very high	96.3	Very high	69 Å²	69	52.3 Å²	52.3	37%	0.369	30%	0.297	S	S	.	.			trans	-84.9	158.8	177.7	-67.1	-58.3	0	0	0	111.7	Y51 D53 Y57	Y51-N55 WeakPolarHBondContact CB-O 3.27Å; Y51-N55 PolarHBondContact N-O 2.8Å; D53-N55 VanDerWaalsContact C-N 3.25Å; D53-N55 PolarHBondContact O-N 2.79Å; D53-N55 VanDerWaalsContact OD1-CB 3.26Å; D53-N55 WeakPolarHBondContact OD1-CB 3.34Å; D53-N55 PolarHBondContact OD1-N 2.86Å; D53-N55 PolarHBondContact OD2-ND2 2.82Å; N55-Y57 HydrophobicContact CB-CE2 4.11Å
56	T	96.9	Very high	96.2	Very high	19 Å²	19	56.5 Å²	56.5	12%	0.117	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-117.4	127.7	171.6	-64.9	0	0	0	0	109.8	L49 L58 K75 V76 F96	L49-T56 HydrophobicContact CB-CG2 3.68Å; L49-T56 WeakPolarHBondContact O-CA 3.48Å; T56-L58 HydrophobicContact CG2-CB 4.26Å; T56-L58 PolarHBondContact O-N 2.88Å; T56-K75 WeakPolarHBondContact O-CA 3.32Å; T56-V76 HydrophobicContact CG2-CG2 3.56Å; T56-F96 HydrophobicContact CG2-CE1 3.71Å; T56-F96 HydrophobicContact CG2-CZ 3.72Å
57	Y	96.1	Very high	96.3	Very high	63 Å²	63	58.2 Å²	58.2	25%	0.247	34%	0.34	C	S	.	.			trans	-102.6	51.9	-176.6	-60.9	-86.7	0	0	0	112.1	Y51 D53 N55 N59 K75 G116 T117	Y51-Y57 AromaticContact CD1-CE2 3.89Å; Y51-Y57 HydrophobicContact CD1-CE2 3.89Å; Y51-Y57 HydrophobicContact CG-CD2 4.32Å; Y51-Y57 AromaticContact CG-CE2 3.8Å; Y51-Y57 HydrophobicContact CG-CE2 3.8Å; D53-Y57 PolarHBondContact OD2-OH 2.89Å; N55-Y57 HydrophobicContact CB-CE2 4.11Å; Y57-N59 PolarHBondContact O-ND2 3.34Å; Y57-K75 HydrophobicContact CD1-CG 4.23Å; Y57-G116 PolarHBondContact O-N 3.42Å; Y57-T117 PolarHBondContact N-OG1 2.88Å
58	L	98.2	Very high	96.4	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	134.2	168	-170.2	91.8	0	0	0	109.9	M24 L49 T56 W60 Y74 K75 V76 F96 C113	M24-L58 HydrophobicContact CE-CD1 3.81Å; L49-L58 HydrophobicContact CD1-CB 4.4Å; L49-L58 HydrophobicContact CD1-CD1 3.73Å; T56-L58 HydrophobicContact CG2-CB 4.26Å; T56-L58 PolarHBondContact O-N 2.88Å; L58-W60 HydrophobicContact CD2-CZ2 4.43Å; L58-Y74 CarbonylContact O-C 3.55Å; L58-K75 PolarHBondContact O-N 3.1Å; L58-V76 HydrophobicContact CB-CG2 4.17Å; L58-V76 PolarHBondContact O-N 2.94Å; L58-F96 HydrophobicContact CB-CD1 4.39Å; L58-F96 HydrophobicContact CB-CE1 4.38Å; L58-F96 HydrophobicContact CD1-CD2 3.87Å; L58-F96 HydrophobicContact CD1-CE2 4.23Å; L58-F96 HydrophobicContact CD1-CG 4.1Å; L58-F96 HydrophobicContact CD2-CB 3.42Å; L58-F96 VanDerWaalsContact CD2-CB 3.42Å; L58-F96 HydrophobicContact CD2-CD1 3.61Å; L58-F96 HydrophobicContact CD2-CD2 4.08Å; L58-F96 HydrophobicContact CD2-CE1 4.38Å; L58-F96 HydrophobicContact CD2-CG 3.41Å; L58-F96 VanDerWaalsContact CD2-CG 3.41Å; L58-F96 HydrophobicContact CG-CD1 4.42Å; L58-F96 HydrophobicContact CG-CD2 4.47Å; L58-F96 HydrophobicContact CG-CG 4.23Å; L58-C113 HydrophobicContact CD1-CB 4.25Å
59	N	98.5	Very high	96.5	Very high	25 Å²	25	59.8 Å²	59.8	13%	0.134	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.3	175.1	-55.2	-88.3	0	0	0	110.1	Y57 F61 R71 I73 Y74 C113 M114	Y57-N59 PolarHBondContact O-ND2 3.34Å; N59-F61 HydrophobicContact CB-CD2 4.32Å; N59-F61 HydrophobicContact CB-CE2 3.56Å; N59-F61 HydrophobicContact CB-CZ 4.18Å; N59-R71 HydrophobicContact CB-CG 4.42Å; N59-I73 CarbonylContact C-O 3.53Å; N59-I73 VanDerWaalsContact CA-O 3.22Å; N59-I73 WeakPolarHBondContact CA-O 3.33Å; N59-Y74 WeakPolarHBondContact OD1-CA 3.19Å; N59-Y74 WeakPolarHBondContact OD1-CB 3.27Å; N59-C113 CarbonylContact O-C 3.56Å; N59-C113 VanDerWaalsContact O-CA 3.32Å; N59-C113 WeakPolarHBondContact O-CA 3.48Å; N59-M114 PolarHBondContact N-O 2.87Å; N59-M114 PolarHBondContact O-N 2.93Å
60	W	98.8	Very high	96.6	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136	171.1	-70.8	101.8	0	0	0	110.2	I41 C43 L58 L72 I73 F96 L98 Y112 C113	I41-W60 HydrophobicContact CB-CH2 4.43Å; I41-W60 HydrophobicContact CB-CZ3 4.44Å; I41-W60 HydrophobicContact CG2-CH2 4.22Å; I41-W60 HydrophobicContact CG2-CZ3 4.14Å; C43-W60 HydrophobicContact CB-CH2 3.44Å; C43-W60 VanDerWaalsContact CB-CH2 3.44Å; C43-W60 HydrophobicContact CB-CZ2 3.74Å; C43-W60 HydrophobicContact CB-CZ3 4.33Å; L58-W60 HydrophobicContact CD2-CZ2 4.43Å; W60-L72 PolarHBondContact O-N 2.7Å; W60-I73 HydrophobicContact CB-CB 4.22Å; W60-I73 PolarHBondContact N-O 2.76Å; W60-I73 PolarHBondContact O-N 2.79Å; W60-F96 HydrophobicContact CZ2-CB 4.49Å; W60-L98 HydrophobicContact CB-CD1 4.25Å; W60-L98 HydrophobicContact CD2-CB 3.63Å; W60-L98 HydrophobicContact CD2-CD1 4.29Å; W60-L98 HydrophobicContact CD2-CD2 4.16Å; W60-L98 HydrophobicContact CD2-CG 4.25Å; W60-L98 HydrophobicContact CE3-CB 3.79Å; W60-L98 HydrophobicContact CE3-CD2 3.89Å; W60-L98 HydrophobicContact CE3-CG 4.37Å; W60-L98 HydrophobicContact CG-CB 4.23Å; W60-L98 HydrophobicContact CG-CD1 4Å; W60-L98 HydrophobicContact CG-CD2 4.45Å; W60-L98 HydrophobicContact CG-CG 4.46Å; W60-L98 HydrophobicContact CH2-CB 3.79Å; W60-L98 HydrophobicContact CZ2-CB 3.68Å; W60-L98 HydrophobicContact CZ3-CB 3.85Å; W60-L98 HydrophobicContact CZ3-CD2 4.39Å; W60-Y112 CarbonylContact C-O 3.56Å; W60-Y112 WeakPolarHBondContact CA-O 3.5Å; W60-C113 HydrophobicContact CD2-CB 4.17Å; W60-C113 HydrophobicContact CE3-CB 3.82Å; W60-C113 HydrophobicContact CH2-CB 3.89Å; W60-C113 HydrophobicContact CZ2-CB 4.17Å; W60-C113 HydrophobicContact CZ3-CB 3.69Å
61	F	98.6	Very high	96.7	Very high	45 Å²	45	65.7 Å²	65.7	20%	0.197	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	148.2	177.5	-64.3	-100.5	0	0	0	110.2	N59 R70 R71 Y111 Y112 M114	N59-F61 HydrophobicContact CB-CD2 4.32Å; N59-F61 HydrophobicContact CB-CE2 3.56Å; N59-F61 HydrophobicContact CB-CZ 4.18Å; F61-R70 CarbonylContact C-O 3.53Å; F61-R70 VanDerWaalsContact CA-O 3.27Å; F61-R70 WeakPolarHBondContact CA-O 3.34Å; F61-R71 HydrophobicContact CD1-CB 3.78Å; F61-R71 HydrophobicContact CD1-CG 4.27Å; F61-R71 HydrophobicContact CE1-CB 3.55Å; F61-R71 HydrophobicContact CE1-CG 3.92Å; F61-R71 HydrophobicContact CE2-CG 4.41Å; F61-R71 HydrophobicContact CZ-CB 4.14Å; F61-R71 HydrophobicContact CZ-CG 3.99Å; F61-Y111 VanDerWaalsContact O-CA 3.28Å; F61-Y111 WeakPolarHBondContact O-CA 3.48Å; F61-Y112 HydrophobicContact CB-CD2 4.44Å; F61-Y112 PolarHBondContact N-O 3.4Å; F61-Y112 PolarHBondContact O-N 3.48Å; F61-M114 HydrophobicContact CD2-CB 4.32Å; F61-M114 HydrophobicContact CE2-CB 3.91Å; F61-M114 HydrophobicContact CE2-SD 4.23Å
62	Q	98.3	Very high	96.9	Very high	9 Å²	9	60.7 Å²	60.7	4%	0.042	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138	168.4	-178.4	-169.3	48.7	0	0	108.9	R64 R70 L72 D107 V110 Y111	Q62-R64 HydrophobicContact CG-CG 4.43Å; Q62-R70 PolarHBondContact N-O 3.36Å; Q62-R70 PolarHBondContact O-N 3.3Å; Q62-L72 HydrophobicContact CB-CD1 3.69Å; Q62-L72 HydrophobicContact CB-CD2 4.1Å; Q62-L72 HydrophobicContact CB-CG 3.9Å; Q62-D107 PolarHBondContact NE2-O 3.26Å; Q62-V110 CarbonylContact C-O 3.55Å; Q62-V110 WeakPolarHBondContact CA-O 3.37Å; Q62-Y111 HydrophobicContact CB-CD1 4.05Å; Q62-Y111 HydrophobicContact CB-CE1 3.8Å; Q62-Y111 HydrophobicContact CG-CD1 4.33Å; Q62-Y111 HydrophobicContact CG-CE1 3.83Å; Q62-Y111 HydrophobicContact CG-CE2 4.27Å; Q62-Y111 PolarHBondContact NE2-OH 3.33Å
63	Q	98.2	Very high	97.2	Very high	58 Å²	58	55.4 Å²	55.4	27%	0.271	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	109.8	171	-173.2	178.1	17	0	0	109.3	Q67 P69 G109 V110 Y112	Q63-Q67 VanDerWaalsContact CG-O 3.31Å; Q63-Q67 WeakPolarHBondContact CG-O 3Å; Q63-Q67 PolarHBondContact NE2-O 3.26Å; Q63-Q67 VanDerWaalsContact NE2-O 3.16Å; Q63-P69 HydrophobicContact CB-CB 4.43Å; Q63-P69 HydrophobicContact CB-CG 4.29Å; Q63-P69 HydrophobicContact CG-CG 4.19Å; Q63-G109 CarbonylContact O-C 3.52Å; Q63-G109 VanDerWaalsContact O-CA 3.3Å; Q63-G109 WeakPolarHBondContact O-CA 2.97Å; Q63-V110 PolarHBondContact N-O 3.31Å; Q63-V110 PolarHBondContact O-N 3.22Å; Q63-Y112 HydrophobicContact CB-CE2 3.87Å; Q63-Y112 PolarHBondContact OE1-OH 3.44Å
64	R	96	Very high	97.3	Very high	72 Å²	72	55.3 Å²	55.3	27%	0.272	31%	0.311	S	S	.	.			trans	-78.8	154.7	173.7	-64.4	177.1	-177.1	-168.6	-6.9	110	Q62 G66 Q67 E106	Q62-R64 HydrophobicContact CG-CG 4.43Å; R64-G66 PolarHBondContact O-N 3.11Å; R64-Q67 HydrophobicContact CB-CB 4.25Å; R64-Q67 HydrophobicContact CB-CG 4.19Å; R64-Q67 PolarHBondContact O-N 3.39Å; R64-E106 PolarHBondContact NE-O 2.78Å; R64-E106 PolarHBondContact NH2-O 3.28Å
65	P	95.2	Very high	97.5	Very high	107 Å²	107	56.7 Å²	56.7	70%	0.695	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	128.8	176.1	-27.3	35.3	0	0	0	112.1	Q67	P65-Q67 PolarHBondContact O-N 2.86Å
66	G	96.1	Very high	97.6	Very high	93 Å²	93	54.2 Å²	54.2	96%	0.959	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	4.2	179.9	0	0	0	0	0	115.7	R64	R64-G66 PolarHBondContact O-N 3.11Å
67	Q	96.7	Very high	97.7	Very high	112 Å²	112	56 Å²	56	52%	0.523	30%	0.302	S	S	.	.	S	Bend	trans	-109.4	159.4	177.3	-59.9	-170.2	-0.8	0	0	111.6	Q63 R64 P65	Q63-Q67 VanDerWaalsContact CG-O 3.31Å; Q63-Q67 WeakPolarHBondContact CG-O 3Å; Q63-Q67 PolarHBondContact NE2-O 3.26Å; Q63-Q67 VanDerWaalsContact NE2-O 3.16Å; R64-Q67 HydrophobicContact CB-CB 4.25Å; R64-Q67 HydrophobicContact CB-CG 4.19Å; R64-Q67 PolarHBondContact O-N 3.39Å; P65-Q67 PolarHBondContact O-N 2.86Å
68	S	97.2	Very high	97.8	Very high	94 Å²	94	56 Å²	56	66%	0.657	31%	0.306	S	S	*	.			trans	-72.8	155.5	168	52.6	0	0	0	0	110.8	R70	S68-R70 PolarHBondContact O-N 2.81Å
69	P	97.5	Very high	97.8	Very high	68 Å²	68	61.9 Å²	61.9	44%	0.442	33%	0.329	S	S	.	.			trans	-58.3	131.6	171.4	-23.7	33.9	0	0	0	111.8	Q63	Q63-P69 HydrophobicContact CB-CB 4.43Å; Q63-P69 HydrophobicContact CB-CG 4.29Å; Q63-P69 HydrophobicContact CG-CG 4.19Å
70	R	97.9	Very high	97.8	Very high	113 Å²	113	63 Å²	63	43%	0.426	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.5	173.2	176	179.9	172.6	-162.2	-2.9	109.5	F61 Q62 S68 S81 G82	F61-R70 CarbonylContact C-O 3.53Å; F61-R70 VanDerWaalsContact CA-O 3.27Å; F61-R70 WeakPolarHBondContact CA-O 3.34Å; Q62-R70 PolarHBondContact N-O 3.36Å; Q62-R70 PolarHBondContact O-N 3.3Å; S68-R70 PolarHBondContact O-N 2.81Å; R70-S81 PolarHBondContact NH2-O 2.86Å; R70-G82 VanDerWaalsContact NH2-C 3.32Å; R70-G82 PolarHBondContact NH2-O 2.87Å
71	R	98.3	Very high	97.7	Very high	80 Å²	80	67.9 Å²	67.9	30%	0.302	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	133.4	173.4	-165	175.9	60.9	154.5	1.3	110.1	N59 F61 D80	N59-R71 HydrophobicContact CB-CG 4.42Å; F61-R71 HydrophobicContact CD1-CB 3.78Å; F61-R71 HydrophobicContact CD1-CG 4.27Å; F61-R71 HydrophobicContact CE1-CB 3.55Å; F61-R71 HydrophobicContact CE1-CG 3.92Å; F61-R71 HydrophobicContact CE2-CG 4.41Å; F61-R71 HydrophobicContact CZ-CB 4.14Å; F61-R71 HydrophobicContact CZ-CG 3.99Å; R71-D80 IonicContact CZ-OD2 2.76Å; R71-D80 VanDerWaalsContact CZ-OD2 3.23Å; R71-D80 IonicContact NE-OD2 3.9Å; R71-D80 PolarHBondContact NE-OD2 3.47Å; R71-D80 IonicContact NH2-OD1 2.74Å; R71-D80 IonicContact NH2-OD2 2.84Å; R71-D80 PolarHBondContact NH2-OD2 2.82Å
72	L	98.5	Very high	97.7	Very high	4 Å²	4	69 Å²	69	2%	0.021	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-50.4	176.9	-62.5	-174.3	0	0	0	111.5	W60 Q62 D80 V83 F87 Y111	W60-L72 PolarHBondContact O-N 2.7Å; Q62-L72 HydrophobicContact CB-CD1 3.69Å; Q62-L72 HydrophobicContact CB-CD2 4.1Å; Q62-L72 HydrophobicContact CB-CG 3.9Å; L72-D80 PolarHBondContact O-N 3.17Å; L72-V83 HydrophobicContact CB-CG1 4.22Å; L72-V83 HydrophobicContact CB-CG2 4.49Å; L72-V83 HydrophobicContact CD2-CG1 4.23Å; L72-V83 HydrophobicContact CD2-CG2 4.08Å; L72-V83 WeakPolarHBondContact O-CG2 3.25Å; L72-F87 HydrophobicContact CD1-CD1 3.87Å; L72-F87 HydrophobicContact CD1-CE1 3.8Å; L72-F87 HydrophobicContact CD1-CZ 4.39Å; L72-Y111 HydrophobicContact CD1-CD1 4.18Å; L72-Y111 HydrophobicContact CD1-CE1 3.65Å
73	I	98.8	Very high	97.7	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.2	-173.7	-59.7	-178.3	0	0	0	108.4	N59 W60 V76 N78 F87 S88 G89 L98	N59-I73 CarbonylContact C-O 3.53Å; N59-I73 VanDerWaalsContact CA-O 3.22Å; N59-I73 WeakPolarHBondContact CA-O 3.33Å; W60-I73 HydrophobicContact CB-CB 4.22Å; W60-I73 PolarHBondContact N-O 2.76Å; W60-I73 PolarHBondContact O-N 2.79Å; I73-V76 VanDerWaalsContact CG2-O 3.23Å; I73-V76 WeakPolarHBondContact CG2-O 3.37Å; I73-N78 CarbonylContact C-O 3.52Å; I73-N78 WeakPolarHBondContact CA-O 3.41Å; I73-N78 WeakPolarHBondContact CG2-O 3.41Å; I73-F87 HydrophobicContact CD1-CB 4.28Å; I73-S88 VanDerWaalsContact CD1-C 3.43Å; I73-G89 VanDerWaalsContact CD1-N 3.32Å; I73-L98 HydrophobicContact CD1-CD1 3.81Å
74	Y	98.2	Very high	97.7	Very high	77 Å²	77	68.8 Å²	68.8	30%	0.302	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	159.4	175.8	70.8	-87.9	0	0	0	110.9	L58 N59 V76 S77 N78 W79	L58-Y74 CarbonylContact O-C 3.55Å; N59-Y74 WeakPolarHBondContact OD1-CA 3.19Å; N59-Y74 WeakPolarHBondContact OD1-CB 3.27Å; Y74-V76 PolarHBondContact O-N 3.34Å; Y74-S77 PolarHBondContact O-N 2.79Å; Y74-N78 HydrophobicContact CD1-CB 3.95Å; Y74-N78 VanDerWaalsContact CD1-O 3.22Å; Y74-N78 WeakPolarHBondContact CD1-O 3.48Å; Y74-N78 HydrophobicContact CD2-CB 4.04Å; Y74-N78 HydrophobicContact CE1-CB 3.6Å; Y74-N78 HydrophobicContact CE2-CB 3.7Å; Y74-N78 HydrophobicContact CG-CB 4.15Å; Y74-N78 VanDerWaalsContact CZ-CB 3.45Å; Y74-N78 PolarHBondContact N-O 2.84Å; Y74-N78 WeakPolarHBondContact O-CB 3.17Å; Y74-N78 PolarHBondContact O-N 2.79Å; Y74-W79 WeakPolarHBondContact CE1-O 3.42Å
75	K	97.6	Very high	97.7	Very high	83 Å²	83	72 Å²	72	36%	0.361	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	47	51.1	-175.3	-71.4	-179.2	175.7	-168.4	0	111.6	T56 Y57 L58 S77	T56-K75 WeakPolarHBondContact O-CA 3.32Å; Y57-K75 HydrophobicContact CD1-CG 4.23Å; L58-K75 PolarHBondContact O-N 3.1Å; K75-S77 PolarHBondContact O-N 2.89Å
76	V	98.4	Very high	97.9	Very high	16 Å²	16	67.7 Å²	67.7	10%	0.097	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	-49.4	-179.9	-173.7	0	0	0	0	115	T56 L58 I73 Y74 G89 F96	T56-V76 HydrophobicContact CG2-CG2 3.56Å; L58-V76 HydrophobicContact CB-CG2 4.17Å; L58-V76 PolarHBondContact O-N 2.94Å; I73-V76 VanDerWaalsContact CG2-O 3.23Å; I73-V76 WeakPolarHBondContact CG2-O 3.37Å; Y74-V76 PolarHBondContact O-N 3.34Å; V76-G89 CarbonylContact O-C 3.59Å; V76-G89 VanDerWaalsContact O-C 3.24Å; V76-G89 WeakPolarHBondContact O-CA 3.2Å; V76-F96 HydrophobicContact CG1-CD1 4.28Å; V76-F96 HydrophobicContact CG2-CD1 4.3Å; V76-F96 HydrophobicContact CG2-CE1 3.96Å
77	S	98.3	Very high	98	Very high	56 Å²	56	63.4 Å²	63.4	39%	0.392	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.4	-4.6	-166.9	62.1	0	0	0	0	116.1	Y74 K75 G89	Y74-S77 PolarHBondContact O-N 2.79Å; K75-S77 PolarHBondContact O-N 2.89Å; S77-G89 WeakPolarHBondContact CB-O 3.46Å
78	N	98.5	Very high	98.1	Very high	63 Å²	63	60.2 Å²	60.2	34%	0.337	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.6	-177.5	-61.9	-29.1	0	0	0	111.4	I73 Y74	I73-N78 CarbonylContact C-O 3.52Å; I73-N78 WeakPolarHBondContact CA-O 3.41Å; I73-N78 WeakPolarHBondContact CG2-O 3.41Å; Y74-N78 HydrophobicContact CD1-CB 3.95Å; Y74-N78 VanDerWaalsContact CD1-O 3.22Å; Y74-N78 WeakPolarHBondContact CD1-O 3.48Å; Y74-N78 HydrophobicContact CD2-CB 4.04Å; Y74-N78 HydrophobicContact CE1-CB 3.6Å; Y74-N78 HydrophobicContact CE2-CB 3.7Å; Y74-N78 HydrophobicContact CG-CB 4.15Å; Y74-N78 VanDerWaalsContact CZ-CB 3.45Å; Y74-N78 PolarHBondContact N-O 2.84Å; Y74-N78 WeakPolarHBondContact O-CB 3.17Å; Y74-N78 PolarHBondContact O-N 2.79Å
79	W	98.4	Very high	98.1	Very high	124 Å²	124	56.2 Å²	56.2	47%	0.47	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	138.9	176.6	-61.7	-85.2	0	0	0	112.6	Y74 V83 F87	Y74-W79 WeakPolarHBondContact CE1-O 3.42Å; W79-V83 HydrophobicContact CB-CB 4.35Å; W79-F87 PolarHBondContact NE1-O 3.28Å
80	D	98.3	Very high	98.2	Very high	48 Å²	48	56.1 Å²	56.1	26%	0.257	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-71.6	164.4	161.6	-141.5	-37.2	0	0	0	110.9	R71 L72 G82 V83	R71-D80 IonicContact CZ-OD2 2.76Å; R71-D80 VanDerWaalsContact CZ-OD2 3.23Å; R71-D80 IonicContact NE-OD2 3.9Å; R71-D80 PolarHBondContact NE-OD2 3.47Å; R71-D80 IonicContact NH2-OD1 2.74Å; R71-D80 IonicContact NH2-OD2 2.84Å; R71-D80 PolarHBondContact NH2-OD2 2.82Å; L72-D80 PolarHBondContact O-N 3.17Å; D80-G82 PolarHBondContact O-N 3.23Å; D80-V83 HydrophobicContact CB-CG2 3.98Å; D80-V83 WeakPolarHBondContact O-CB 3.41Å; D80-V83 WeakPolarHBondContact O-CG2 3.37Å; D80-V83 PolarHBondContact O-N 2.66Å
81	S	97.6	Very high	98.2	Very high	103 Å²	103	52.5 Å²	52.5	72%	0.72	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	133.9	-176.8	-68	0	0	0	0	111.7	R70 V83	R70-S81 PolarHBondContact NH2-O 2.86Å; S81-V83 VanDerWaalsContact C-N 3.27Å; S81-V83 PolarHBondContact O-N 2.94Å
82	G	97.3	Very high	98.1	Very high	69 Å²	69	52.8 Å²	52.8	71%	0.711	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	20.8	179.4	0	0	0	0	0	114.6	R70 D80	R70-G82 VanDerWaalsContact NH2-C 3.32Å; R70-G82 PolarHBondContact NH2-O 2.87Å; D80-G82 PolarHBondContact O-N 3.23Å
83	V	98	Very high	98	Very high	16 Å²	16	53.6 Å²	53.6	10%	0.097	33%	0.33	C	S	.	.			trans	-89.7	126.6	170.9	178.3	0	0	0	0	108.4	L72 W79 D80 S81 F87	L72-V83 HydrophobicContact CB-CG1 4.22Å; L72-V83 HydrophobicContact CB-CG2 4.49Å; L72-V83 HydrophobicContact CD2-CG1 4.23Å; L72-V83 HydrophobicContact CD2-CG2 4.08Å; L72-V83 WeakPolarHBondContact O-CG2 3.25Å; W79-V83 HydrophobicContact CB-CB 4.35Å; D80-V83 HydrophobicContact CB-CG2 3.98Å; D80-V83 WeakPolarHBondContact O-CB 3.41Å; D80-V83 WeakPolarHBondContact O-CG2 3.37Å; D80-V83 PolarHBondContact O-N 2.66Å; S81-V83 VanDerWaalsContact C-N 3.27Å; S81-V83 PolarHBondContact O-N 2.94Å; V83-F87 HydrophobicContact CG1-CB 4.16Å; V83-F87 HydrophobicContact CG1-CD2 4Å; V83-F87 HydrophobicContact CG1-CG 4.25Å
84	P	98	Very high	98	Very high	46 Å²	46	55.9 Å²	55.9	30%	0.299	35%	0.345	S	S	.	.			trans	-60.1	144.6	178.3	-27.7	37.4	0	0	0	113.4	R86 F87	P84-R86 HydrophobicContact CB-CG 3.65Å; P84-R86 PolarHBondContact O-N 2.94Å; P84-R86 VanDerWaalsContact O-N 3.17Å; P84-F87 HydrophobicContact CB-CD2 4.16Å; P84-F87 HydrophobicContact CB-CE2 4.38Å; P84-F87 HydrophobicContact CG-CD2 4.45Å; P84-F87 HydrophobicContact CG-CE2 4.31Å; P84-F87 WeakPolarHBondContact O-CD2 3.22Å; P84-F87 PolarHBondContact O-N 2.86Å; P84-F87 VanDerWaalsContact O-N 3.11Å
85	D	97.2	Very high	98	Very high	139 Å²	139	55.5 Å²	55.5	74%	0.743	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-14	178.6	65.6	-10.1	0	0	0	114	F87	D85-F87 PolarHBondContact O-N 3.46Å
86	R	98.2	Very high	98	Very high	18 Å²	18	51.7 Å²	51.7	7%	0.068	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-23	169.6	58.1	162.8	-173	-87.9	5.7	113.1	P84 I100 S101 R102 E104 E106 D107	P84-R86 HydrophobicContact CB-CG 3.65Å; P84-R86 PolarHBondContact O-N 2.94Å; P84-R86 VanDerWaalsContact O-N 3.17Å; R86-I100 CarbonylContact O-C 3.47Å; R86-I100 WeakPolarHBondContact O-CA 3.18Å; R86-S101 WeakPolarHBondContact CA-OG 3.33Å; R86-S101 WeakPolarHBondContact CB-OG 3.34Å; R86-S101 PolarHBondContact O-N 3.14Å; R86-S101 PolarHBondContact O-OG 2.78Å; R86-R102 WeakPolarHBondContact CD-O 3.37Å; R86-E104 VanDerWaalsContact CZ-CD 3.4Å; R86-E104 IonicContact CZ-OE1 3.23Å; R86-E104 IonicContact CZ-OE2 3.33Å; R86-E104 IonicContact NH1-OE1 3.63Å; R86-E104 PolarHBondContact NH1-OE1 2.88Å; R86-E104 IonicContact NH1-OE2 3.2Å; R86-E104 PolarHBondContact NH1-OE2 3.34Å; R86-E104 IonicContact NH2-OE2 3.82Å; R86-E104 PolarHBondContact NH2-OE2 3.37Å; R86-E106 IonicContact CZ-OE1 2.76Å; R86-E106 IonicContact NH1-OE1 3.68Å; R86-E106 IonicContact NH2-OE1 3.16Å; R86-E106 PolarHBondContact NH2-OE1 2.93Å; R86-D107 IonicContact CZ-OD1 2.86Å; R86-D107 IonicContact CZ-OD2 3.73Å; R86-D107 IonicContact NE-OD1 3.61Å; R86-D107 PolarHBondContact NE-OD1 3.35Å; R86-D107 IonicContact NE-OD2 3.84Å; R86-D107 PolarHBondContact NE-OD2 3.44Å; R86-D107 VanDerWaalsContact NE-OD2 3.16Å; R86-D107 IonicContact NH2-OD1 2.99Å; R86-D107 PolarHBondContact NH2-OD1 3.46Å; R86-D107 IonicContact NH2-OD2 3.47Å
87	F	98.7	Very high	98.1	Very high	3 Å²	3	52.8 Å²	52.8	1%	0.013	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	141.1	172.4	-68.4	-86.8	0	0	0	110.1	L72 I73 W79 V83 P84 D85 L98 K99 I100 D107 Y111	L72-F87 HydrophobicContact CD1-CD1 3.87Å; L72-F87 HydrophobicContact CD1-CE1 3.8Å; L72-F87 HydrophobicContact CD1-CZ 4.39Å; I73-F87 HydrophobicContact CD1-CB 4.28Å; W79-F87 PolarHBondContact NE1-O 3.28Å; V83-F87 HydrophobicContact CG1-CB 4.16Å; V83-F87 HydrophobicContact CG1-CD2 4Å; V83-F87 HydrophobicContact CG1-CG 4.25Å; P84-F87 HydrophobicContact CB-CD2 4.16Å; P84-F87 HydrophobicContact CB-CE2 4.38Å; P84-F87 HydrophobicContact CG-CD2 4.45Å; P84-F87 HydrophobicContact CG-CE2 4.31Å; P84-F87 WeakPolarHBondContact O-CD2 3.22Å; P84-F87 PolarHBondContact O-N 2.86Å; P84-F87 VanDerWaalsContact O-N 3.11Å; D85-F87 PolarHBondContact O-N 3.46Å; F87-L98 HydrophobicContact CD1-CD1 4.44Å; F87-K99 CarbonylContact C-O 3.59Å; F87-K99 WeakPolarHBondContact CA-O 3.41Å; F87-I100 HydrophobicContact CD1-CD1 4.27Å; F87-I100 HydrophobicContact CD1-CG1 3.77Å; F87-I100 HydrophobicContact CE1-CD1 3.59Å; F87-I100 HydrophobicContact CE1-CG1 3.61Å; F87-I100 HydrophobicContact CE1-CG2 4.41Å; F87-I100 HydrophobicContact CZ-CD1 4.31Å; F87-I100 HydrophobicContact CZ-CG1 4.5Å; F87-D107 VanDerWaalsContact CZ-OD1 3.3Å; F87-D107 WeakPolarHBondContact CZ-OD1 3.45Å; F87-Y111 HydrophobicContact CE1-CE1 4.01Å
88	S	98.7	Very high	98.1	Very high	45 Å²	45	50.2 Å²	50.2	32%	0.315	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	143.1	173.7	53.6	0	0	0	0	109.9	I73 L98 K99	I73-S88 VanDerWaalsContact CD1-C 3.43Å; S88-L98 CarbonylContact O-C 3.49Å; S88-K99 PolarHBondContact N-O 3.07Å; S88-K99 PolarHBondContact O-N 3.12Å; S88-K99 PolarHBondContact OG-O 3.12Å
89	G	98.7	Very high	98.1	Very high	10 Å²	10	52 Å²	52	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	140.5	176	0	0	0	0	0	110	I73 V76 S77 T97	I73-G89 VanDerWaalsContact CD1-N 3.32Å; V76-G89 CarbonylContact O-C 3.59Å; V76-G89 VanDerWaalsContact O-C 3.24Å; V76-G89 WeakPolarHBondContact O-CA 3.2Å; S77-G89 WeakPolarHBondContact CB-O 3.46Å; G89-T97 WeakPolarHBondContact CA-O 3.24Å
90	S	98.6	Very high	98.1	Very high	66 Å²	66	46.5 Å²	46.5	46%	0.462	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	165.5	179.9	65.3	0	0	0	0	111.1	F96 T97	S90-F96 CarbonylContact O-C 3.24Å; S90-F96 VanDerWaalsContact O-CA 3.24Å; S90-F96 WeakPolarHBondContact O-CA 3.43Å; S90-T97 PolarHBondContact N-O 3.2Å; S90-T97 PolarHBondContact O-N 3.16Å
91	G	98.1	Very high	98.1	Very high	37 Å²	37	46.8 Å²	46.8	38%	0.381	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	125.8	172.9	176.3	0	0	0	0	0	114	D95	G91-D95 CarbonylContact C-O 3.57Å; G91-D95 WeakPolarHBondContact CA-O 3.4Å
92	S	96.8	Very high	98.2	Very high	86 Å²	86	49 Å²	49	60%	0.601	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-162.9	164.2	178	63	0	0	0	0	110	T94 D95	S92-T94 PolarHBondContact O-N 3Å; S92-D95 PolarHBondContact N-O 3.47Å; S92-D95 VanDerWaalsContact N-O 3.12Å; S92-D95 PolarHBondContact O-N 2.93Å
93	G	95.9	Very high	98.2	Very high	20 Å²	20	46 Å²	46	21%	0.206	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	-102.5	-179.3	0	0	0	0	0	111	S48 L49 F96	S48-G93 WeakPolarHBondContact CA-O 3.08Å; L49-G93 PolarHBondContact N-O 2.83Å; G93-F96 WeakPolarHBondContact O-CZ 3.21Å
94	T	97.9	Very high	98.2	Very high	49 Å²	49	48.4 Å²	48.4	30%	0.301	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-15.8	-175.8	48.6	0	0	0	0	114.8	R44 S45 S92	R44-T94 CarbonylContact C-O 3.59Å; R44-T94 WeakPolarHBondContact CA-O 3.42Å; S45-T94 PolarHBondContact N-O 2.86Å; S45-T94 WeakPolarHBondContact OG-CA 3.14Å; S45-T94 PolarHBondContact OG-O 3.05Å; S92-T94 PolarHBondContact O-N 3Å
95	D	98.6	Very high	98.2	Very high	69 Å²	69	49.4 Å²	49.4	37%	0.369	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.4	-166.2	-66.1	-94.4	0	0	0	111.2	R44 G91 S92	R44-D95 IonicContact CZ-OD1 3.23Å; R44-D95 VanDerWaalsContact CZ-OD1 3.23Å; R44-D95 IonicContact NE-OD1 2.79Å; R44-D95 PolarHBondContact NE-OD1 2.8Å; R44-D95 IonicContact NH2-OD1 2.79Å; R44-D95 PolarHBondContact NH2-OD1 2.84Å; G91-D95 CarbonylContact C-O 3.57Å; G91-D95 WeakPolarHBondContact CA-O 3.4Å; S92-D95 PolarHBondContact N-O 3.47Å; S92-D95 VanDerWaalsContact N-O 3.12Å; S92-D95 PolarHBondContact O-N 2.93Å
96	F	98.8	Very high	98.1	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.009	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154.4	-173.6	-54.2	-83.5	0	0	0	111.6	S42 C43 L49 T56 L58 W60 V76 S90 G93	S42-F96 CarbonylContact C-O 3.48Å; S42-F96 WeakPolarHBondContact CA-O 3.37Å; C43-F96 HydrophobicContact CB-CB 4.38Å; C43-F96 PolarHBondContact N-O 2.98Å; C43-F96 PolarHBondContact O-N 3.16Å; L49-F96 HydrophobicContact CB-CE2 4.43Å; L49-F96 HydrophobicContact CB-CZ 4.09Å; L49-F96 HydrophobicContact CD1-CD2 4.39Å; L49-F96 HydrophobicContact CD1-CE2 3.54Å; L49-F96 HydrophobicContact CD1-CZ 3.85Å; L49-F96 HydrophobicContact CG-CE2 4.03Å; L49-F96 HydrophobicContact CG-CZ 4.2Å; T56-F96 HydrophobicContact CG2-CE1 3.71Å; T56-F96 HydrophobicContact CG2-CZ 3.72Å; L58-F96 HydrophobicContact CB-CD1 4.39Å; L58-F96 HydrophobicContact CB-CE1 4.38Å; L58-F96 HydrophobicContact CD1-CD2 3.87Å; L58-F96 HydrophobicContact CD1-CE2 4.23Å; L58-F96 HydrophobicContact CD1-CG 4.1Å; L58-F96 HydrophobicContact CD2-CB 3.42Å; L58-F96 VanDerWaalsContact CD2-CB 3.42Å; L58-F96 HydrophobicContact CD2-CD1 3.61Å; L58-F96 HydrophobicContact CD2-CD2 4.08Å; L58-F96 HydrophobicContact CD2-CE1 4.38Å; L58-F96 HydrophobicContact CD2-CG 3.41Å; L58-F96 VanDerWaalsContact CD2-CG 3.41Å; L58-F96 HydrophobicContact CG-CD1 4.42Å; L58-F96 HydrophobicContact CG-CD2 4.47Å; L58-F96 HydrophobicContact CG-CG 4.23Å; W60-F96 HydrophobicContact CZ2-CB 4.49Å; V76-F96 HydrophobicContact CG1-CD1 4.28Å; V76-F96 HydrophobicContact CG2-CD1 4.3Å; V76-F96 HydrophobicContact CG2-CE1 3.96Å; S90-F96 CarbonylContact O-C 3.24Å; S90-F96 VanDerWaalsContact O-CA 3.24Å; S90-F96 WeakPolarHBondContact O-CA 3.43Å; G93-F96 WeakPolarHBondContact O-CZ 3.21Å
97	T	98.8	Very high	98.1	Very high	40 Å²	40	45.9 Å²	45.9	25%	0.245	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	132.3	178.9	-60.4	0	0	0	0	110.3	I41 G89 S90	I41-T97 CarbonylContact O-C 3.55Å; I41-T97 WeakPolarHBondContact O-CA 3.3Å; G89-T97 WeakPolarHBondContact CA-O 3.24Å; S90-T97 PolarHBondContact N-O 3.2Å; S90-T97 PolarHBondContact O-N 3.16Å
98	L	98.8	Very high	98	Very high	2 Å²	2	50 Å²	50	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.4	160.4	-179	65.6	0	0	0	107.9	S40 I41 W60 I73 F87 S88 Y111	S40-L98 CarbonylContact C-O 3.56Å; S40-L98 WeakPolarHBondContact CA-O 3.4Å; I41-L98 HydrophobicContact CB-CB 4.48Å; I41-L98 PolarHBondContact N-O 2.9Å; I41-L98 PolarHBondContact O-N 2.8Å; W60-L98 HydrophobicContact CB-CD1 4.25Å; W60-L98 HydrophobicContact CD2-CB 3.63Å; W60-L98 HydrophobicContact CD2-CD1 4.29Å; W60-L98 HydrophobicContact CD2-CD2 4.16Å; W60-L98 HydrophobicContact CD2-CG 4.25Å; W60-L98 HydrophobicContact CE3-CB 3.79Å; W60-L98 HydrophobicContact CE3-CD2 3.89Å; W60-L98 HydrophobicContact CE3-CG 4.37Å; W60-L98 HydrophobicContact CG-CB 4.23Å; W60-L98 HydrophobicContact CG-CD1 4Å; W60-L98 HydrophobicContact CG-CD2 4.45Å; W60-L98 HydrophobicContact CG-CG 4.46Å; W60-L98 HydrophobicContact CH2-CB 3.79Å; W60-L98 HydrophobicContact CZ2-CB 3.68Å; W60-L98 HydrophobicContact CZ3-CB 3.85Å; W60-L98 HydrophobicContact CZ3-CD2 4.39Å; I73-L98 HydrophobicContact CD1-CD1 3.81Å; F87-L98 HydrophobicContact CD1-CD1 4.44Å; S88-L98 CarbonylContact O-C 3.49Å; L98-Y111 HydrophobicContact CD2-CD1 3.43Å; L98-Y111 VanDerWaalsContact CD2-CD1 3.43Å; L98-Y111 HydrophobicContact CD2-CE1 3.84Å; L98-Y111 HydrophobicContact CD2-CG 4.23Å
99	K	98.7	Very high	97.9	Very high	99 Å²	99	49.3 Å²	49.3	43%	0.43	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.5	175	176.2	176.3	-177.7	179.8	0	110.3	A39 F87 S88	A39-K99 WeakPolarHBondContact O-CA 3.34Å; F87-K99 CarbonylContact C-O 3.59Å; F87-K99 WeakPolarHBondContact CA-O 3.41Å; S88-K99 PolarHBondContact N-O 3.07Å; S88-K99 PolarHBondContact O-N 3.12Å; S88-K99 PolarHBondContact OG-O 3.12Å
100	I	98.7	Very high	97.9	Very high	10 Å²	10	52.5 Å²	52.5	5%	0.051	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	116.9	169.1	-48.8	177.4	0	0	0	105.8	P38 A39 R86 F87 V103 D107	P38-I100 CarbonylContact C-O 3.59Å; P38-I100 WeakPolarHBondContact CA-O 3.23Å; A39-I100 PolarHBondContact N-O 2.99Å; A39-I100 PolarHBondContact O-N 2.95Å; R86-I100 CarbonylContact O-C 3.47Å; R86-I100 WeakPolarHBondContact O-CA 3.18Å; F87-I100 HydrophobicContact CD1-CD1 4.27Å; F87-I100 HydrophobicContact CD1-CG1 3.77Å; F87-I100 HydrophobicContact CE1-CD1 3.59Å; F87-I100 HydrophobicContact CE1-CG1 3.61Å; F87-I100 HydrophobicContact CE1-CG2 4.41Å; F87-I100 HydrophobicContact CZ-CD1 4.31Å; F87-I100 HydrophobicContact CZ-CG1 4.5Å; I100-V103 HydrophobicContact CB-CG2 4.22Å; I100-V103 HydrophobicContact CG2-CG2 4.05Å; I100-D107 HydrophobicContact CD1-CB 4.38Å
101	S	98.6	Very high	97.9	Very high	53 Å²	53	50.3 Å²	50.3	37%	0.371	30%	0.297	S	S	.	.	S	Bend	trans	-74.2	-32.9	-174.9	64.7	0	0	0	0	112.9	P38 R86	P38-S101 WeakPolarHBondContact CA-O 3.45Å; R86-S101 WeakPolarHBondContact CA-OG 3.33Å; R86-S101 WeakPolarHBondContact CB-OG 3.34Å; R86-S101 PolarHBondContact O-N 3.14Å; R86-S101 PolarHBondContact O-OG 2.78Å
102	R	98.5	Very high	97.9	Very high	150 Å²	150	52.8 Å²	52.8	57%	0.566	30%	0.296	S	S	*	.	S	Bend	trans	-141.2	108.7	174.3	-65.1	-173.1	-61.1	171.8	2.3	108.9	R86	R86-R102 WeakPolarHBondContact CD-O 3.37Å
103	V	98.6	Very high	97.9	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.036	27%	0.271	C	S	.	.			trans	-69.7	132.3	179.1	172.7	0	0	0	0	110.8	V33 L35 G36 Q37 A39 I100 D107	V33-V103 HydrophobicContact CB-CG1 4.07Å; V33-V103 HydrophobicContact CB-CG2 4.32Å; V33-V103 HydrophobicContact CG1-CG2 4.35Å; V33-V103 HydrophobicContact CG2-CG1 3.8Å; L35-V103 WeakPolarHBondContact CA-O 3.46Å; L35-V103 HydrophobicContact CD2-CG1 4.31Å; G36-V103 PolarHBondContact N-O 3.28Å; Q37-V103 WeakPolarHBondContact O-CG2 3.22Å; Q37-V103 PolarHBondContact O-N 3.14Å; A39-V103 HydrophobicContact CB-CG2 3.62Å; I100-V103 HydrophobicContact CB-CG2 4.22Å; I100-V103 HydrophobicContact CG2-CG2 4.05Å; V103-D107 HydrophobicContact CG1-CB 4.34Å
104	E	98.3	Very high	98	Very high	66 Å²	66	53.1 Å²	53.1	31%	0.308	28%	0.284	S	S	.	.			trans	-112.8	165.5	172.9	-69.2	171.7	-154.9	0	0	111	R86 E106 D107	R86-E104 VanDerWaalsContact CZ-CD 3.4Å; R86-E104 IonicContact CZ-OE1 3.23Å; R86-E104 IonicContact CZ-OE2 3.33Å; R86-E104 IonicContact NH1-OE1 3.63Å; R86-E104 PolarHBondContact NH1-OE1 2.88Å; R86-E104 IonicContact NH1-OE2 3.2Å; R86-E104 PolarHBondContact NH1-OE2 3.34Å; R86-E104 IonicContact NH2-OE2 3.82Å; R86-E104 PolarHBondContact NH2-OE2 3.37Å; E104-E106 WeakPolarHBondContact CB-OE2 3.36Å; E104-E106 PolarHBondContact O-N 2.73Å; E104-D107 PolarHBondContact N-OD2 3.21Å; E104-D107 VanDerWaalsContact O-CB 3.32Å; E104-D107 WeakPolarHBondContact O-CB 3.08Å; E104-D107 PolarHBondContact O-N 3.42Å
105	A	96.7	Very high	97.9	Very high	68 Å²	68	51.8 Å²	51.8	56%	0.562	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-62.7	-32.8	-174.1	0	0	0	0	0	112.3	L35 D107 V108	L35-A105 HydrophobicContact CD2-CB 4.47Å; A105-D107 PolarHBondContact O-N 2.91Å; A105-V108 WeakPolarHBondContact O-CG2 3.2Å; A105-V108 PolarHBondContact O-N 3.36Å
106	E	96.1	Very high	97.7	Very high	75 Å²	75	49.4 Å²	49.4	35%	0.35	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-76.8	-2.7	177.1	76	-86.6	-166.6	0	0	114.4	R64 R86 E104	R64-E106 PolarHBondContact NE-O 2.78Å; R64-E106 PolarHBondContact NH2-O 3.28Å; R86-E106 IonicContact CZ-OE1 2.76Å; R86-E106 IonicContact NH1-OE1 3.68Å; R86-E106 IonicContact NH2-OE1 3.16Å; R86-E106 PolarHBondContact NH2-OE1 2.93Å; E104-E106 WeakPolarHBondContact CB-OE2 3.36Å; E104-E106 PolarHBondContact O-N 2.73Å
107	D	97.2	Very high	97.4	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.037	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-80.5	-8.9	175.7	-61	-23.8	0	0	0	111.8	Q62 R86 F87 I100 V103 E104 A105 G109 Y111	Q62-D107 PolarHBondContact NE2-O 3.26Å; R86-D107 IonicContact CZ-OD1 2.86Å; R86-D107 IonicContact CZ-OD2 3.73Å; R86-D107 IonicContact NE-OD1 3.61Å; R86-D107 PolarHBondContact NE-OD1 3.35Å; R86-D107 IonicContact NE-OD2 3.84Å; R86-D107 PolarHBondContact NE-OD2 3.44Å; R86-D107 VanDerWaalsContact NE-OD2 3.16Å; R86-D107 IonicContact NH2-OD1 2.99Å; R86-D107 PolarHBondContact NH2-OD1 3.46Å; R86-D107 IonicContact NH2-OD2 3.47Å; F87-D107 VanDerWaalsContact CZ-OD1 3.3Å; F87-D107 WeakPolarHBondContact CZ-OD1 3.45Å; I100-D107 HydrophobicContact CD1-CB 4.38Å; V103-D107 HydrophobicContact CG1-CB 4.34Å; E104-D107 PolarHBondContact N-OD2 3.21Å; E104-D107 VanDerWaalsContact O-CB 3.32Å; E104-D107 WeakPolarHBondContact O-CB 3.08Å; E104-D107 PolarHBondContact O-N 3.42Å; A105-D107 PolarHBondContact O-N 2.91Å; D107-G109 PolarHBondContact O-N 3.29Å; D107-Y111 WeakPolarHBondContact O-CE2 3.47Å; D107-Y111 PolarHBondContact O-OH 3.42Å
108	V	96.2	Very high	96.8	Very high	91 Å²	91	50.7 Å²	50.7	55%	0.552	27%	0.27	S	S	*	.			trans	-63.8	116.7	175.1	178.5	0	0	0	0	110.6	A105	A105-V108 WeakPolarHBondContact O-CG2 3.2Å; A105-V108 PolarHBondContact O-N 3.36Å
109	G	97.1	Very high	95.8	Very high	30 Å²	30	60.3 Å²	60.3	31%	0.309	31%	0.306	S	S	.	.	S	Bend	trans	175.8	-177	179.3	0	0	0	0	0	112.1	Q63 D107	Q63-G109 CarbonylContact O-C 3.52Å; Q63-G109 VanDerWaalsContact O-CA 3.3Å; Q63-G109 WeakPolarHBondContact O-CA 2.97Å; D107-G109 PolarHBondContact O-N 3.29Å
110	V	98	Very high	94.1	Very high	76 Å²	76	63.8 Å²	63.8	46%	0.461	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	138.1	172.8	-169.4	0	0	0	0	108.9	Q62 Q63 Y112	Q62-V110 CarbonylContact C-O 3.55Å; Q62-V110 WeakPolarHBondContact CA-O 3.37Å; Q63-V110 PolarHBondContact N-O 3.31Å; Q63-V110 PolarHBondContact O-N 3.22Å; V110-Y112 HydrophobicContact CB-CE2 4.08Å; V110-Y112 HydrophobicContact CG1-CD1 4.34Å; V110-Y112 HydrophobicContact CG1-CE1 3.57Å; V110-Y112 HydrophobicContact CG1-CE2 3.87Å; V110-Y112 WeakPolarHBondContact CG1-OH 3.26Å
111	Y	98.5	Very high	93.9	Very high	20 Å²	20	66.5 Å²	66.5	8%	0.078	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	140.4	179.1	-70.9	-98.1	0	0	0	110.9	Q26 I41 F61 Q62 L72 F87 L98 D107	Q26-Y111 PolarHBondContact NE2-O 2.86Å; I41-Y111 HydrophobicContact CD1-CD2 3.99Å; I41-Y111 HydrophobicContact CD1-CG 3.83Å; F61-Y111 VanDerWaalsContact O-CA 3.28Å; F61-Y111 WeakPolarHBondContact O-CA 3.48Å; Q62-Y111 HydrophobicContact CB-CD1 4.05Å; Q62-Y111 HydrophobicContact CB-CE1 3.8Å; Q62-Y111 HydrophobicContact CG-CD1 4.33Å; Q62-Y111 HydrophobicContact CG-CE1 3.83Å; Q62-Y111 HydrophobicContact CG-CE2 4.27Å; Q62-Y111 PolarHBondContact NE2-OH 3.33Å; L72-Y111 HydrophobicContact CD1-CD1 4.18Å; L72-Y111 HydrophobicContact CD1-CE1 3.65Å; F87-Y111 HydrophobicContact CE1-CE1 4.01Å; L98-Y111 HydrophobicContact CD2-CD1 3.43Å; L98-Y111 VanDerWaalsContact CD2-CD1 3.43Å; L98-Y111 HydrophobicContact CD2-CE1 3.84Å; L98-Y111 HydrophobicContact CD2-CG 4.23Å; D107-Y111 WeakPolarHBondContact O-CE2 3.47Å; D107-Y111 PolarHBondContact O-OH 3.42Å
112	Y	98	Very high	93.7	Very high	90 Å²	90	67.2 Å²	67.2	35%	0.353	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	132.4	-178.9	-47.8	-83.4	0	0	0	110.5	W60 F61 Q63 V110	W60-Y112 CarbonylContact C-O 3.56Å; W60-Y112 WeakPolarHBondContact CA-O 3.5Å; F61-Y112 HydrophobicContact CB-CD2 4.44Å; F61-Y112 PolarHBondContact N-O 3.4Å; F61-Y112 PolarHBondContact O-N 3.48Å; Q63-Y112 HydrophobicContact CB-CE2 3.87Å; Q63-Y112 PolarHBondContact OE1-OH 3.44Å; V110-Y112 HydrophobicContact CB-CE2 4.08Å; V110-Y112 HydrophobicContact CG1-CD1 4.34Å; V110-Y112 HydrophobicContact CG1-CE1 3.57Å; V110-Y112 HydrophobicContact CG1-CE2 3.87Å; V110-Y112 WeakPolarHBondContact CG1-OH 3.26Å
113	C	98.2	Very high	93.4	Very high	12 Å²	12	62.6 Å²	62.6	8%	0.081	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	136.4	161.5	66.3	0	0	0	0	109.3	Q26 C43 L58 N59 W60	Q26-C113 PolarHBondContact OE1-SG 3.19Å; Q26-C113 VanDerWaalsContact OE1-SG 3.34Å; C43-C113 HydrophobicContact CB-CB 3.53Å; C43-C113 WeakPolarHBondContact CB-SG 3.4Å; C43-C113 WeakPolarHBondContact SG-CB 3.4Å; C43-C113 CovalentContact SG-SG 2.02Å; C43-C113 PolarHBondContact SG-SG 3.47Å; L58-C113 HydrophobicContact CD1-CB 4.25Å; N59-C113 CarbonylContact O-C 3.56Å; N59-C113 VanDerWaalsContact O-CA 3.32Å; N59-C113 WeakPolarHBondContact O-CA 3.48Å; W60-C113 HydrophobicContact CD2-CB 4.17Å; W60-C113 HydrophobicContact CE3-CB 3.82Å; W60-C113 HydrophobicContact CH2-CB 3.89Å; W60-C113 HydrophobicContact CZ2-CB 4.17Å; W60-C113 HydrophobicContact CZ3-CB 3.69Å
114	M	97	Very high	93.1	Very high	100 Å²	100	65.9 Å²	65.9	49%	0.493	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	130.7	177.8	-176.4	-173.4	176.6	0	0	109	N59 F61	N59-M114 PolarHBondContact N-O 2.87Å; N59-M114 PolarHBondContact O-N 2.93Å; F61-M114 HydrophobicContact CD2-CB 4.32Å; F61-M114 HydrophobicContact CE2-CB 3.91Å; F61-M114 HydrophobicContact CE2-SD 4.23Å
115	Q	96.2	Very high	92.8	Very high	21 Å²	21	65.9 Å²	65.9	10%	0.098	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	139.5	172.8	73.3	82.6	28.1	0	0	110.1	V22 M24 L49 H118	V22-Q115 HydrophobicContact CB-CG 4.08Å; V22-Q115 HydrophobicContact CG1-CG 3.86Å; M24-Q115 HydrophobicContact CE-CB 4.33Å; M24-Q115 HydrophobicContact CG-CG 4.26Å; M24-Q115 HydrophobicContact SD-CB 3.81Å; M24-Q115 HydrophobicContact SD-CG 3.64Å; L49-Q115 HydrophobicContact CD1-CB 3.55Å; L49-Q115 HydrophobicContact CD2-CB 3.66Å; L49-Q115 HydrophobicContact CD2-CG 4Å; L49-Q115 HydrophobicContact CG-CB 4.26Å; Q115-H118 PolarHBondContact NE2-O 3.43Å
116	G	94.2	Very high	92.5	Very high	19 Å²	19	65.7 Å²	65.7	20%	0.196	35%	0.348	C	S	.	.			trans	-120.5	16.6	171.4	0	0	0	0	0	112.9	Y57 W119	Y57-G116 PolarHBondContact O-N 3.42Å; G116-W119 PolarHBondContact O-NE1 3.28Å; G116-W119 VanDerWaalsContact O-NE1 3.16Å
117	T	92	Very high	92.2	Very high	6 Å²	6	65.1 Å²	65.1	4%	0.037	35%	0.348	C	S	.	.	S	Bend	trans	-78.7	-44.5	-178.6	-63.4	0	0	0	0	110.7	L49 Y51 Y57	L49-T117 WeakPolarHBondContact O-CG2 3.1Å; L49-T117 PolarHBondContact O-OG1 2.75Å; Y51-T117 HydrophobicContact CD2-CG2 3.84Å; Y51-T117 HydrophobicContact CG-CG2 4.43Å; Y57-T117 PolarHBondContact N-OG1 2.88Å
118	H	87.4	Confident	91.9	Very high	63 Å²	63	69.5 Å²	69.5	29%	0.292	37%	0.372	S	S	.	.	S	Bend	trans	-109.5	112.3	-178.1	-61.3	-79.5	0	0	0	108.3	V22 Q47 S48 Q115	V22-H118 HydrophobicContact CG2-CB 3.47Å; V22-H118 VanDerWaalsContact CG2-CB 3.47Å; Q47-H118 PolarHBondContact NE2-CD2 3.39Å; Q47-H118 VanDerWaalsContact NE2-CD2 3.28Å; Q47-H118 PolarHBondContact NE2-CE1 3.27Å; Q47-H118 PolarHBondContact NE2-ND1 3.07Å; Q47-H118 VanDerWaalsContact NE2-ND1 3.14Å; Q47-H118 PolarHBondContact NE2-NE2 3.41Å; S48-H118 PolarHBondContact O-NE2 3.07Å; Q115-H118 PolarHBondContact NE2-O 3.43Å
119	W	77.1	Confident	91.5	Very high	204 Å²	204	67.8 Å²	67.8	77%	0.773	36%	0.357	S	S	*	.			trans	-92	144.6	170.3	-67.4	88	0	0	0	108.9	G116	G116-W119 PolarHBondContact O-NE1 3.28Å; G116-W119 VanDerWaalsContact O-NE1 3.16Å
120	P	64.2	Low	91	Very high	172 Å²	172	71.2 Å²	71.2	100%	1.117	36%	0.362	S	S	*	.			trans	-55.9	0	171.8	-22	32.3	0	0	0	113.4

Retrieved 120 of 120 residues in 55.6 ms (Link to these results)

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