KVD08_HUMAN Loading...

Immunoglobulin kappa variable 1D-8

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 A0A087WSZ0, Species HUMAN (Homo sapiens, Human), Gene IGKV1D-8, Length 117 aa.

						>KVD08_HUMAN|A0A087WSZ0|IGKV1D-8
MDMRVPAQLLGLLLLWLPGARCAIWMTQSPSLLSASTGDRVTISCRMSQGISSYLAWYQQKPGKAPELLIYAASTLQSGVPSRFSGSGSGTDFTLTISCLQSEDFATYYCQQYYSFP
					

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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	45.3	Very low	58.6	Low	238 Å²	238	135 Å²	135	100%	1.172	71%	0.712	S	S	*	*				0	105.6	0	-86.2	159.5	115.4	0	0	107	M3	M1-M3 PolarHBondContact O-N 3.3Å
2	D	48.8	Very low	59.1	Low	172 Å²	172	131.8 Å²	131.8	92%	0.92	70%	0.695	S	S	*	*			trans	-66.5	95.4	172.4	-83.1	-52.7	0	0	0	109	R4	D2-R4 PolarHBondContact O-N 2.98Å
3	M	58	Low	59.7	Low	180 Å²	180	131.5 Å²	131.5	89%	0.887	69%	0.693	S	S	*	*			trans	-73.8	75.3	168.5	-96.7	179.7	156.5	0	0	108.6	M1 V5	M1-M3 PolarHBondContact O-N 3.3Å; M3-V5 VanDerWaalsContact C-N 3.33Å; M3-V5 PolarHBondContact O-N 3.01Å
4	R	58.9	Low	60.1	Low	234 Å²	234	130.6 Å²	130.6	88%	0.883	69%	0.688	S	S	*	*			trans	-77.9	89.6	169.6	-152.9	178.4	-154.5	168.3	6.2	107.3	D2 P6	D2-R4 PolarHBondContact O-N 2.98Å; R4-P6 VanDerWaalsContact O-CD 3.24Å; R4-P6 WeakPolarHBondContact O-CD 3.24Å; R4-P6 VanDerWaalsContact O-N 3.16Å
5	V	59.6	Low	60.6	Low	97 Å²	97	131.3 Å²	131.3	59%	0.588	69%	0.691	S	S	*	*			trans	-57.4	119.7	170.8	179.9	0	0	0	0	107.2	M3 A7 L9	M3-V5 VanDerWaalsContact C-N 3.33Å; M3-V5 PolarHBondContact O-N 3.01Å; V5-A7 PolarHBondContact O-N 2.93Å; V5-L9 HydrophobicContact CG1-CB 4.33Å
6	P	56.7	Low	60.8	Low	70 Å²	70	135.9 Å²	135.9	46%	0.455	70%	0.697	S	S	.	*			trans	-59.2	130.1	-179.5	-22.2	30.8	0	0	0	110.2	R4 Q8 L9	R4-P6 VanDerWaalsContact O-CD 3.24Å; R4-P6 WeakPolarHBondContact O-CD 3.24Å; R4-P6 VanDerWaalsContact O-N 3.16Å; P6-Q8 PolarHBondContact O-N 3.11Å; P6-L9 HydrophobicContact CB-CD1 4.41Å; P6-L9 HydrophobicContact CG-CD1 4.01Å; P6-L9 WeakPolarHBondContact O-CB 3.31Å; P6-L9 PolarHBondContact O-N 3.26Å
7	A	66.7	Low	61.1	Low	87 Å²	87	135.2 Å²	135.2	72%	0.719	69%	0.694	S	S	*	*	H	α-helix	trans	-52.7	-24.3	177.5	0	0	0	0	0	113.4	V5 L10 G11	V5-A7 PolarHBondContact O-N 2.93Å; A7-L10 WeakPolarHBondContact O-CB 3.46Å; A7-L10 PolarHBondContact O-N 3.33Å; A7-G11 PolarHBondContact O-N 2.89Å; A7-G11 VanDerWaalsContact O-N 3.11Å
8	Q	63	Low	61.1	Low	161 Å²	161	134.2 Å²	134.2	75%	0.752	70%	0.698	S	S	*	*	H	α-helix	trans	-61.3	-40	174.5	-57.2	-96.1	-90.6	0	0	112.6	P6 L10 G11 L12	P6-Q8 PolarHBondContact O-N 3.11Å; Q8-L10 VanDerWaalsContact C-N 3.34Å; Q8-G11 PolarHBondContact O-N 3.29Å; Q8-L12 PolarHBondContact O-N 2.91Å
9	L	61.7	Low	61.1	Low	104 Å²	104	130.5 Å²	130.5	55%	0.545	70%	0.695	S	S	.	*	H	α-helix	trans	-68.4	-35	176.9	-89.6	149.1	0	0	0	111.5	V5 P6 L12 L13	V5-L9 HydrophobicContact CG1-CB 4.33Å; P6-L9 HydrophobicContact CB-CD1 4.41Å; P6-L9 HydrophobicContact CG-CD1 4.01Å; P6-L9 WeakPolarHBondContact O-CB 3.31Å; P6-L9 PolarHBondContact O-N 3.26Å; L9-L12 PolarHBondContact O-N 3.06Å; L9-L13 WeakPolarHBondContact O-CB 3.46Å; L9-L13 PolarHBondContact O-N 2.97Å
10	L	61.7	Low	61.1	Low	108 Å²	108	128.1 Å²	128.1	57%	0.565	70%	0.695	S	S	*	*	H	α-helix	trans	-65.4	-43.2	175	-136.6	88.4	0	0	0	111.3	A7 Q8 L13 L14	A7-L10 WeakPolarHBondContact O-CB 3.46Å; A7-L10 PolarHBondContact O-N 3.33Å; Q8-L10 VanDerWaalsContact C-N 3.34Å; L10-L13 PolarHBondContact O-N 2.86Å; L10-L14 WeakPolarHBondContact O-CG 3.25Å; L10-L14 PolarHBondContact O-N 2.92Å
11	G	64.2	Low	61.3	Low	34 Å²	34	133.3 Å²	133.3	35%	0.351	70%	0.704	S	S	.	*	H	α-helix	trans	-64.1	-38.4	176.6	0	0	0	0	0	113.3	A7 Q8 L15	A7-G11 PolarHBondContact O-N 2.89Å; A7-G11 VanDerWaalsContact O-N 3.11Å; Q8-G11 PolarHBondContact O-N 3.29Å; G11-L15 WeakPolarHBondContact O-CG 3.38Å; G11-L15 PolarHBondContact O-N 3.3Å
12	L	64.9	Low	62.5	Low	97 Å²	97	126.3 Å²	126.3	51%	0.508	68%	0.678	S	S	.	*	H	α-helix	trans	-66.6	-40.9	173.4	-77.8	158.6	0	0	0	112	Q8 L9 L14 L15 W16	Q8-L12 PolarHBondContact O-N 2.91Å; L9-L12 PolarHBondContact O-N 3.06Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 2.9Å; L12-L15 PolarHBondContact O-N 3.36Å; L12-W16 PolarHBondContact O-N 3.35Å
13	L	66.4	Low	64.2	Low	127 Å²	127	120.6 Å²	120.6	67%	0.665	66%	0.655	S	S	*	*	H	α-helix	trans	-63.5	-36.3	178.7	-163.1	75.8	0	0	0	112.5	L9 L10 L15 W16	L9-L13 WeakPolarHBondContact O-CB 3.46Å; L9-L13 PolarHBondContact O-N 2.97Å; L10-L13 PolarHBondContact O-N 2.86Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 3Å; L13-W16 PolarHBondContact O-N 2.77Å
14	L	65.1	Low	65.7	Low	119 Å²	119	112.9 Å²	112.9	62%	0.623	62%	0.617	S	S	*	*	H	α-helix	trans	-68.3	-29.8	176.6	-70.3	169	0	0	0	113	L10 L12 W16	L10-L14 WeakPolarHBondContact O-CG 3.25Å; L10-L14 PolarHBondContact O-N 2.92Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 2.9Å; L14-W16 VanDerWaalsContact C-N 3.26Å; L14-W16 PolarHBondContact O-N 3.39Å
15	L	67.3	Low	67.3	Low	141 Å²	141	109.4 Å²	109.4	74%	0.738	60%	0.604	S	S	*	*	H	α-helix	trans	-75.9	-13.9	175.4	-70	167.3	0	0	0	113.1	G11 L12 L13	G11-L15 WeakPolarHBondContact O-CG 3.38Å; G11-L15 PolarHBondContact O-N 3.3Å; L12-L15 PolarHBondContact O-N 3.36Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 3Å
16	W	65.2	Low	69	Low	206 Å²	206	108 Å²	108	78%	0.78	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	11.8	-179.6	-74.7	50	0	0	0	113.3	L12 L13 L14 P18	L12-W16 PolarHBondContact O-N 3.35Å; L13-W16 PolarHBondContact O-N 2.77Å; L14-W16 VanDerWaalsContact C-N 3.26Å; L14-W16 PolarHBondContact O-N 3.39Å; W16-P18 WeakPolarHBondContact O-CD 3.4Å
17	L	65.2	Low	71	Confident	123 Å²	123	108.1 Å²	108.1	64%	0.644	59%	0.591	S	S	*	*	S	Bend	trans	-84.5	104.6	163.9	-65.3	170.5	0	0	0	106.5	G19	L17-G19 VanDerWaalsContact C-N 3.31Å; L17-G19 PolarHBondContact O-N 3Å
18	P	61.8	Low	72.5	Confident	118 Å²	118	107.1 Å²	107.1	77%	0.766	57%	0.571	S	S	*	*			trans	-59	107.9	164	1	11.9	0	0	0	104.7	W16 A20	W16-P18 WeakPolarHBondContact O-CD 3.4Å; P18-A20 PolarHBondContact O-N 3.47Å
19	G	61.3	Low	74.2	Confident	63 Å²	63	103 Å²	103	65%	0.649	56%	0.56	S	S	*	*			trans	-51.2	110.5	174.1	0	0	0	0	0	106.5	L17 R21	L17-G19 VanDerWaalsContact C-N 3.31Å; L17-G19 PolarHBondContact O-N 3Å; G19-R21 VanDerWaalsContact C-N 3.32Å; G19-R21 PolarHBondContact O-N 3.32Å
20	A	61.1	Low	75.9	Confident	83 Å²	83	100.2 Å²	100.2	69%	0.686	55%	0.549	S	S	*	.			trans	-61.7	96.1	-171.5	0	0	0	0	0	108	P18 C22	P18-A20 PolarHBondContact O-N 3.47Å; A20-C22 PolarHBondContact O-N 3.06Å
21	R	64.8	Low	77.5	Confident	238 Å²	238	101 Å²	101	90%	0.898	56%	0.564	S	S	*	*			trans	-77.1	39.9	174.5	-64.6	-167.7	-179.4	-132.9	2.5	110.4	G19 A23	G19-R21 VanDerWaalsContact C-N 3.32Å; G19-R21 PolarHBondContact O-N 3.32Å; R21-A23 VanDerWaalsContact C-N 3.31Å; R21-A23 PolarHBondContact O-N 3.39Å
22	C	70.6	Confident	79.1	Confident	90 Å²	90	106.7 Å²	106.7	61%	0.608	59%	0.585	S	S	*	*			trans	-78.9	-14.2	-171.1	-64.6	0	0	0	0	113.2	A20	A20-C22 PolarHBondContact O-N 3.06Å
23	A	84	Confident	80.6	Confident	53 Å²	53	106.3 Å²	106.3	44%	0.438	58%	0.583	S	S	.	*	S	Bend	trans	-87.6	134.5	179.4	0	0	0	0	0	112.1	R21 W25 P117	R21-A23 VanDerWaalsContact C-N 3.31Å; R21-A23 PolarHBondContact O-N 3.39Å; A23-W25 PolarHBondContact O-N 3.41Å; A23-P117 HydrophobicContact CB-CG 4.43Å
24	I	90.4	Very high	82.1	Confident	18 Å²	18	106 Å²	106	9%	0.092	59%	0.591	C	S	.	*	P	Polyproline II helix	trans	-69.4	116.3	167.7	-55.2	-175.7	0	0	0	107.9	M47 Q49 I51 Q112 Y114	I24-M47 HydrophobicContact CG2-CB 4.17Å; I24-M47 HydrophobicContact CG2-CG 4.43Å; I24-Q49 HydrophobicContact CD1-CG 3.74Å; I24-Q49 HydrophobicContact CG1-CG 3.78Å; I24-Q49 HydrophobicContact CG2-CG 4.22Å; I24-I51 HydrophobicContact CD1-CG2 3.74Å; I24-I51 HydrophobicContact CG2-CG2 4.35Å; I24-Q112 HydrophobicContact CB-CG 4.4Å; I24-Q112 HydrophobicContact CG2-CG 4.14Å; I24-Y114 HydrophobicContact CD1-CD1 3.91Å
25	W	92.3	Very high	83.6	Confident	160 Å²	160	101.3 Å²	101.3	61%	0.606	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-96.4	154.2	173.5	65.8	-89.9	0	0	0	110.6	A23 T27 S48	A23-W25 PolarHBondContact O-N 3.41Å; W25-T27 HydrophobicContact CE3-CG2 4.13Å; W25-T27 HydrophobicContact CZ3-CG2 3.63Å; W25-S48 PolarHBondContact N-OG 3.2Å; W25-S48 PolarHBondContact O-N 3.32Å
26	M	94.7	Very high	85.1	Confident	68 Å²	68	98.2 Å²	98.2	34%	0.335	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.8	150.4	-173.3	-60.9	179.3	-65.7	0	0	111	R46 M47 Q112	M26-R46 CarbonylContact C-O 3.55Å; M26-R46 VanDerWaalsContact CA-O 3.22Å; M26-R46 WeakPolarHBondContact CA-O 3.18Å; M26-M47 HydrophobicContact CG-CG 4.08Å; M26-M47 HydrophobicContact SD-CE 4.4Å; M26-M47 HydrophobicContact SD-CG 4.47Å; M26-Q112 HydrophobicContact CE-CG 4.27Å; M26-Q112 HydrophobicContact CG-CG 4.48Å; M26-Q112 HydrophobicContact SD-CB 3.79Å; M26-Q112 HydrophobicContact SD-CG 3.6Å; M26-Q112 VanDerWaalsContact SD-CG 3.6Å
27	T	97.7	Very high	86.6	Confident	72 Å²	72	92.5 Å²	92.5	44%	0.442	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144.2	171	45.5	0	0	0	0	110.2	W25 C45 R46	W25-T27 HydrophobicContact CE3-CG2 4.13Å; W25-T27 HydrophobicContact CZ3-CG2 3.63Å; T27-C45 CarbonylContact O-C 3.56Å; T27-C45 WeakPolarHBondContact O-CA 3.49Å; T27-R46 PolarHBondContact N-O 3.49Å; T27-R46 PolarHBondContact O-N 3.17Å
28	Q	98.4	Very high	88.2	Confident	66 Å²	66	88.6 Å²	88.6	31%	0.308	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.9	178.2	-169	177.3	-56.4	0	0	109.8	I43 S44 Y108	Q28-I43 HydrophobicContact CG-CG2 3.55Å; Q28-S44 CarbonylContact C-O 3.51Å; Q28-S44 VanDerWaalsContact CA-O 3.24Å; Q28-S44 WeakPolarHBondContact CA-O 3.49Å; Q28-S44 WeakPolarHBondContact CG-O 3.47Å; Q28-Y108 PolarHBondContact NE2-O 3.4Å; Q28-Y108 PolarHBondContact OE1-O 2.83Å
29	S	98.6	Very high	90	Very high	74 Å²	74	86.4 Å²	86.4	52%	0.517	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	140	-179.7	-174.5	0	0	0	0	111.6	S44	S29-S44 PolarHBondContact N-O 3.42Å; S29-S44 PolarHBondContact O-N 3.48Å
30	P	98.2	Very high	91.7	Very high	47 Å²	47	91.4 Å²	91.4	31%	0.305	52%	0.519	S	S	.	.			cis	-72.2	157.1	-9.2	32.8	-36.4	0	0	0	111.4	L32 L33	P30-L32 VanDerWaalsContact C-N 3.33Å; P30-L33 HydrophobicContact CG-CB 3.94Å; P30-L33 HydrophobicContact CG-CD1 4.19Å
31	S	95.6	Very high	93.5	Very high	125 Å²	125	87.9 Å²	87.9	87%	0.874	49%	0.488	S	S	*	.	S	Bend	trans	-74	-27.2	174.1	54.9	0	0	0	0	112.7
32	L	97.2	Very high	95.1	Very high	153 Å²	153	79.3 Å²	79.3	80%	0.801	46%	0.462	S	S	*	.	S	Bend	trans	-142.2	134.1	175.2	-177.3	65.4	0	0	0	108.8	P30	P30-L32 VanDerWaalsContact C-N 3.33Å
33	L	96.4	Very high	96.5	Very high	88 Å²	88	75.6 Å²	75.6	46%	0.461	44%	0.437	S	S	.	.			trans	-131.5	136.6	179.3	-178.7	68.5	0	0	0	109.7	P30 A35 V41	P30-L33 HydrophobicContact CG-CB 3.94Å; P30-L33 HydrophobicContact CG-CD1 4.19Å; L33-A35 HydrophobicContact CD2-CB 4.47Å; L33-A35 HydrophobicContact CG-CB 4.47Å; L33-V41 HydrophobicContact CD2-CB 4.09Å; L33-V41 HydrophobicContact CD2-CG1 3.34Å; L33-V41 HydrophobicContact CD2-CG2 3.77Å
34	S	97.5	Very high	97.2	Very high	120 Å²	120	75.7 Å²	75.7	84%	0.839	43%	0.434	S	S	*	.			trans	-107.7	127.5	165.6	-174.2	0	0	0	0	108.3
35	A	97.1	Very high	97.6	Very high	21 Å²	21	74.9 Å²	74.9	17%	0.174	43%	0.43	C	S	.	.			trans	-148.6	156.6	-179.5	0	0	0	0	0	109.7	L33 D39 V41 L100	L33-A35 HydrophobicContact CD2-CB 4.47Å; L33-A35 HydrophobicContact CG-CB 4.47Å; A35-D39 HydrophobicContact CB-CB 4.23Å; A35-V41 HydrophobicContact CB-CG2 3.81Å; A35-L100 HydrophobicContact CB-CD2 3.72Å
36	S	98.2	Very high	97.9	Very high	77 Å²	77	73.9 Å²	73.9	54%	0.538	43%	0.426	S	S	.	.			trans	-100.5	157.3	177.8	-61.3	0	0	0	0	111.3	G38 D39	S36-G38 PolarHBondContact O-N 3.47Å; S36-D39 PolarHBondContact N-OD2 2.83Å; S36-D39 WeakPolarHBondContact O-CB 3.21Å; S36-D39 VanDerWaalsContact O-CG 3.32Å; S36-D39 PolarHBondContact O-N 2.89Å
37	T	98.2	Very high	97.9	Very high	85 Å²	85	70.9 Å²	70.9	52%	0.521	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	132.9	171.1	-57	0	0	0	0	110.3	D39 L100	T37-D39 VanDerWaalsContact C-N 3.35Å; T37-L100 CarbonylContact C-O 3.56Å; T37-L100 WeakPolarHBondContact CA-O 3.42Å; T37-L100 WeakPolarHBondContact CG2-O 3.37Å
38	G	98.5	Very high	97.8	Very high	41 Å²	41	69.7 Å²	69.7	42%	0.423	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	-16.3	-175.1	0	0	0	0	0	114.4	S36 L100	S36-G38 PolarHBondContact O-N 3.47Å; G38-L100 PolarHBondContact N-O 2.8Å
39	D	98.5	Very high	97.6	Very high	73 Å²	73	70.6 Å²	70.6	39%	0.39	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-66.3	150.2	176.8	-71.3	-12.8	0	0	0	111.3	A35 S36 T37 L100	A35-D39 HydrophobicContact CB-CB 4.23Å; S36-D39 PolarHBondContact N-OD2 2.83Å; S36-D39 WeakPolarHBondContact O-CB 3.21Å; S36-D39 VanDerWaalsContact O-CG 3.32Å; S36-D39 PolarHBondContact O-N 2.89Å; T37-D39 VanDerWaalsContact C-N 3.35Å; D39-L100 VanDerWaalsContact O-CB 3.3Å; D39-L100 WeakPolarHBondContact O-CB 3.25Å; D39-L100 PolarHBondContact O-N 2.87Å
40	R	98.7	Very high	97.5	Very high	168 Å²	168	69 Å²	69	63%	0.634	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-86.1	120.1	166	177.6	-177.8	161.5	113	4.8	109	T96 I97	R40-T96 HydrophobicContact CG-CG2 4.29Å; R40-T96 VanDerWaalsContact CZ-CG2 3.49Å; R40-I97 CarbonylContact C-O 3.59Å; R40-I97 WeakPolarHBondContact CA-O 3.47Å
41	V	98.5	Very high	97.5	Very high	8 Å²	8	66.7 Å²	66.7	5%	0.048	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	143	176.8	169.2	0	0	0	0	110.3	L33 A35 I43 T96 I97 L100	L33-V41 HydrophobicContact CD2-CB 4.09Å; L33-V41 HydrophobicContact CD2-CG1 3.34Å; L33-V41 HydrophobicContact CD2-CG2 3.77Å; A35-V41 HydrophobicContact CB-CG2 3.81Å; V41-I43 HydrophobicContact CG1-CG1 4.22Å; V41-T96 WeakPolarHBondContact O-CA 3.4Å; V41-I97 HydrophobicContact CB-CB 4.18Å; V41-I97 HydrophobicContact CB-CD1 4.32Å; V41-I97 HydrophobicContact CB-CG1 4.35Å; V41-I97 HydrophobicContact CG1-CD1 4.3Å; V41-I97 PolarHBondContact N-O 2.89Å; V41-I97 PolarHBondContact O-N 2.85Å; V41-L100 HydrophobicContact CG2-CB 4.44Å; V41-L100 HydrophobicContact CG2-CD1 4.17Å; V41-L100 HydrophobicContact CG2-CD2 4.05Å; V41-L100 HydrophobicContact CG2-CG 4.47Å
42	T	98.6	Very high	97.6	Very high	58 Å²	58	64 Å²	64	36%	0.356	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	130.2	176.1	-58.7	0	0	0	0	109.6	T94 L95	T42-T94 HydrophobicContact CG2-CG2 3.23Å; T42-L95 CarbonylContact C-O 3.54Å; T42-L95 WeakPolarHBondContact CA-O 3.21Å
43	I	98.7	Very high	97.6	Very high	13 Å²	13	59 Å²	59	7%	0.067	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.1	178.7	-53.5	177.6	0	0	0	107.7	Q28 V41 W57 T94 L95 Y108	Q28-I43 HydrophobicContact CG-CG2 3.55Å; V41-I43 HydrophobicContact CG1-CG1 4.22Å; I43-W57 HydrophobicContact CB-CH2 4.34Å; I43-W57 HydrophobicContact CB-CZ3 4.44Å; I43-W57 HydrophobicContact CG2-CH2 4.02Å; I43-W57 HydrophobicContact CG2-CZ3 4Å; I43-T94 CarbonylContact O-C 3.58Å; I43-T94 VanDerWaalsContact O-CA 3.3Å; I43-T94 WeakPolarHBondContact O-CA 3.27Å; I43-L95 HydrophobicContact CB-CB 4.41Å; I43-L95 HydrophobicContact CD1-CD2 4.39Å; I43-L95 PolarHBondContact N-O 2.83Å; I43-L95 PolarHBondContact O-N 2.99Å; I43-Y108 HydrophobicContact CD1-CD2 3.97Å; I43-Y108 HydrophobicContact CD1-CG 4.02Å
44	S	98.8	Very high	97.7	Very high	55 Å²	55	60 Å²	60	39%	0.385	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	142.8	177.9	-60.7	0	0	0	0	110.9	Q28 S29 F93	Q28-S44 CarbonylContact C-O 3.51Å; Q28-S44 VanDerWaalsContact CA-O 3.24Å; Q28-S44 WeakPolarHBondContact CA-O 3.49Å; Q28-S44 WeakPolarHBondContact CG-O 3.47Å; S29-S44 PolarHBondContact N-O 3.42Å; S29-S44 PolarHBondContact O-N 3.48Å; S44-F93 CarbonylContact C-O 3.56Å; S44-F93 WeakPolarHBondContact CA-O 3.3Å
45	C	98.6	Very high	97.7	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.007	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.3	170.5	-177.8	0	0	0	0	109.6	T27 W57 F93 C110	T27-C45 CarbonylContact O-C 3.56Å; T27-C45 WeakPolarHBondContact O-CA 3.49Å; C45-W57 HydrophobicContact CB-CH2 3.59Å; C45-W57 HydrophobicContact CB-CZ2 3.76Å; C45-W57 HydrophobicContact CB-CZ3 4.48Å; C45-F93 PolarHBondContact N-O 3.47Å; C45-F93 PolarHBondContact O-N 2.78Å; C45-C110 HydrophobicContact CB-CB 3.45Å; C45-C110 VanDerWaalsContact CB-CB 3.45Å; C45-C110 WeakPolarHBondContact CB-SG 3.49Å; C45-C110 WeakPolarHBondContact SG-CB 3.44Å; C45-C110 CovalentContact SG-SG 2.02Å; C45-C110 PolarHBondContact SG-SG 2.84Å
46	R	98.4	Very high	97.8	Very high	138 Å²	138	53.4 Å²	53.4	52%	0.521	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.7	-176.8	-174.7	179.3	-178.5	109.2	-4.5	111.5	M26 T27 T91 D92	M26-R46 CarbonylContact C-O 3.55Å; M26-R46 VanDerWaalsContact CA-O 3.22Å; M26-R46 WeakPolarHBondContact CA-O 3.18Å; T27-R46 PolarHBondContact N-O 3.49Å; T27-R46 PolarHBondContact O-N 3.17Å; R46-T91 CarbonylContact C-O 3.56Å; R46-T91 VanDerWaalsContact CA-O 3.26Å; R46-T91 WeakPolarHBondContact CA-O 3.41Å; R46-D92 WeakPolarHBondContact CG-OD1 3.37Å; R46-D92 IonicContact CZ-OD1 3.56Å; R46-D92 IonicContact CZ-OD2 3.55Å; R46-D92 IonicContact NE-OD1 3.46Å; R46-D92 IonicContact NH1-OD1 2.75Å; R46-D92 PolarHBondContact NH1-OD1 2.91Å; R46-D92 IonicContact NH1-OD2 2.8Å; R46-D92 PolarHBondContact NH1-OD2 2.91Å
47	M	96.1	Very high	97.9	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.025	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	151.5	-176.8	-65.2	61.6	173.2	0	0	109.8	I24 M26 Q49 I51 L55 T91 F93	I24-M47 HydrophobicContact CG2-CB 4.17Å; I24-M47 HydrophobicContact CG2-CG 4.43Å; M26-M47 HydrophobicContact CG-CG 4.08Å; M26-M47 HydrophobicContact SD-CE 4.4Å; M26-M47 HydrophobicContact SD-CG 4.47Å; M47-Q49 VanDerWaalsContact CB-O 3.3Å; M47-Q49 WeakPolarHBondContact CB-O 3.48Å; M47-Q49 PolarHBondContact O-N 2.75Å; M47-I51 HydrophobicContact CB-CG2 4.47Å; M47-I51 HydrophobicContact CE-CD1 3.49Å; M47-I51 VanDerWaalsContact CE-CD1 3.49Å; M47-I51 HydrophobicContact CE-CG1 4.34Å; M47-I51 HydrophobicContact CG-CD1 3.94Å; M47-I51 HydrophobicContact CG-CG1 4.07Å; M47-I51 HydrophobicContact CG-CG2 4.19Å; M47-I51 HydrophobicContact SD-CD1 4.29Å; M47-L55 HydrophobicContact CE-CB 4.35Å; M47-L55 HydrophobicContact CE-CD1 3.18Å; M47-L55 HydrophobicContact CE-CD2 4.02Å; M47-L55 HydrophobicContact CE-CG 4.03Å; M47-T91 PolarHBondContact N-O 2.8Å; M47-F93 HydrophobicContact CE-CD2 3.28Å; M47-F93 HydrophobicContact CE-CE2 3.48Å; M47-F93 VanDerWaalsContact CE-CE2 3.48Å; M47-F93 HydrophobicContact CE-CG 4.15Å; M47-F93 HydrophobicContact CE-CZ 4.47Å; M47-F93 HydrophobicContact SD-CD2 3.44Å; M47-F93 WeakPolarHBondContact SD-CD2 3.36Å; M47-F93 HydrophobicContact SD-CE2 3.61Å
48	S	95.1	Very high	97.9	Very high	47 Å²	47	48.6 Å²	48.6	33%	0.329	26%	0.261	S	S	.	.	S	Bend	trans	-68	-18.8	175.7	64.6	0	0	0	0	114.6	W25	W25-S48 PolarHBondContact N-OG 3.2Å; W25-S48 PolarHBondContact O-N 3.32Å
49	Q	94.7	Very high	97.9	Very high	86 Å²	86	47.7 Å²	47.7	40%	0.402	25%	0.246	S	C	.	.	S	Bend	trans	-150.1	166.5	179.4	66	-175.9	61	0	0	110.4	I24 M47 I51 T91	I24-Q49 HydrophobicContact CD1-CG 3.74Å; I24-Q49 HydrophobicContact CG1-CG 3.78Å; I24-Q49 HydrophobicContact CG2-CG 4.22Å; M47-Q49 VanDerWaalsContact CB-O 3.3Å; M47-Q49 WeakPolarHBondContact CB-O 3.48Å; M47-Q49 PolarHBondContact O-N 2.75Å; Q49-I51 PolarHBondContact O-N 3.01Å; Q49-T91 VanDerWaalsContact C-CG2 3.48Å
50	G	96.8	Very high	97.9	Very high	39 Å²	39	46.7 Å²	46.7	40%	0.402	24%	0.239	S	C	.	.			trans	-67.3	131.1	179	0	0	0	0	0	112.4	G90	G50-G90 WeakPolarHBondContact CA-O 3.3Å
51	I	96.9	Very high	97.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.			trans	-121.4	22.9	179	65.2	153.2	0	0	0	112.8	I24 M47 Q49 S53 Y54 L55 G90 F93 Q112 Y114	I24-I51 HydrophobicContact CD1-CG2 3.74Å; I24-I51 HydrophobicContact CG2-CG2 4.35Å; M47-I51 HydrophobicContact CB-CG2 4.47Å; M47-I51 HydrophobicContact CE-CD1 3.49Å; M47-I51 VanDerWaalsContact CE-CD1 3.49Å; M47-I51 HydrophobicContact CE-CG1 4.34Å; M47-I51 HydrophobicContact CG-CD1 3.94Å; M47-I51 HydrophobicContact CG-CG1 4.07Å; M47-I51 HydrophobicContact CG-CG2 4.19Å; M47-I51 HydrophobicContact SD-CD1 4.29Å; Q49-I51 PolarHBondContact O-N 3.01Å; I51-S53 PolarHBondContact O-N 2.74Å; I51-S53 VanDerWaalsContact O-N 3.12Å; I51-Y54 WeakPolarHBondContact CD1-O 3.24Å; I51-Y54 WeakPolarHBondContact O-CB 3.49Å; I51-Y54 VanDerWaalsContact O-CD2 3.3Å; I51-Y54 WeakPolarHBondContact O-CD2 3.48Å; I51-Y54 PolarHBondContact O-N 2.93Å; I51-L55 HydrophobicContact CD1-CB 4.17Å; I51-G90 VanDerWaalsContact CG1-O 3.28Å; I51-G90 WeakPolarHBondContact CG1-O 3.26Å; I51-G90 PolarHBondContact N-O 2.83Å; I51-F93 HydrophobicContact CD1-CE2 3.75Å; I51-F93 HydrophobicContact CD1-CZ 3.82Å; I51-F93 HydrophobicContact CG1-CE2 3.62Å; I51-F93 HydrophobicContact CG1-CZ 3.65Å; I51-Q112 HydrophobicContact CD1-CB 3.53Å; I51-Q112 HydrophobicContact CG2-CB 4.37Å; I51-Y114 HydrophobicContact CB-CD1 4.44Å; I51-Y114 HydrophobicContact CB-CG 4Å; I51-Y114 HydrophobicContact CG2-CD1 4.15Å; I51-Y114 HydrophobicContact CG2-CG 4.14Å
52	S	97.6	Very high	97.8	Very high	69 Å²	69	47.7 Å²	47.7	48%	0.483	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	-116.5	-172.5	-175.6	0	0	0	0	111.5	S89 G90 F93	S52-S89 CarbonylContact O-C 3.5Å; S52-S89 VanDerWaalsContact O-CA 3.29Å; S52-S89 WeakPolarHBondContact O-CA 3.46Å; S52-G90 PolarHBondContact O-N 2.99Å; S52-F93 WeakPolarHBondContact O-CZ 3.35Å
53	S	98.2	Very high	97.8	Very high	47 Å²	47	49.1 Å²	49.1	33%	0.329	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	16.8	173.9	58.1	0	0	0	0	113.3	I51 L55 A72 A73	I51-S53 PolarHBondContact O-N 2.74Å; I51-S53 VanDerWaalsContact O-N 3.12Å; S53-L55 PolarHBondContact O-N 3.35Å; S53-A72 CarbonylContact O-C 3.14Å; S53-A72 WeakPolarHBondContact O-CA 3.31Å; S53-A73 PolarHBondContact O-N 2.77Å
54	Y	98	Very high	97.7	Very high	108 Å²	108	55 Å²	55	42%	0.424	31%	0.31	S	S	.	.			trans	-77.2	54.9	-177	-65	-95.4	0	0	0	112.2	I51 Q112 Y113 Y114	I51-Y54 WeakPolarHBondContact CD1-O 3.24Å; I51-Y54 WeakPolarHBondContact O-CB 3.49Å; I51-Y54 VanDerWaalsContact O-CD2 3.3Å; I51-Y54 WeakPolarHBondContact O-CD2 3.48Å; I51-Y54 PolarHBondContact O-N 2.93Å; Y54-Q112 CarbonylContact O-C 3.59Å; Y54-Q112 WeakPolarHBondContact O-CA 3.21Å; Y54-Y113 AromaticContact CD1-CD2 3.57Å; Y54-Y113 HydrophobicContact CD1-CD2 3.57Å; Y54-Y113 AromaticContact CD1-CE2 3.33Å; Y54-Y113 HydrophobicContact CD1-CE2 3.33Å; Y54-Y113 HydrophobicContact CE1-CE2 4.31Å; Y54-Y113 HydrophobicContact CG-CD2 4.19Å; Y54-Y113 AromaticContact CG-CE2 3.97Å; Y54-Y113 HydrophobicContact CG-CE2 3.97Å; Y54-Y113 WeakPolarHBondContact O-CD1 3.17Å; Y54-Y113 PolarHBondContact O-N 2.86Å; Y54-Y114 AromaticContact CD2-CD2 3.65Å; Y54-Y114 HydrophobicContact CD2-CD2 3.65Å; Y54-Y114 HydrophobicContact CD2-CE2 4.45Å; Y54-Y114 HydrophobicContact CE2-CD2 4.06Å; Y54-Y114 HydrophobicContact CG-CD2 4.22Å
55	L	98.4	Very high	97.7	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.9	176.4	-176.9	69.6	0	0	0	110.9	M47 I51 S53 W57 Y71 A72 A73 F93 C110 Q111 Y113	M47-L55 HydrophobicContact CE-CB 4.35Å; M47-L55 HydrophobicContact CE-CD1 3.18Å; M47-L55 HydrophobicContact CE-CD2 4.02Å; M47-L55 HydrophobicContact CE-CG 4.03Å; I51-L55 HydrophobicContact CD1-CB 4.17Å; S53-L55 PolarHBondContact O-N 3.35Å; L55-W57 HydrophobicContact CD2-CZ2 4.29Å; L55-Y71 CarbonylContact O-C 3.53Å; L55-A72 PolarHBondContact O-N 2.87Å; L55-A73 HydrophobicContact CB-CB 4.39Å; L55-A73 PolarHBondContact O-N 3.46Å; L55-F93 HydrophobicContact CB-CD1 4.03Å; L55-F93 HydrophobicContact CB-CE1 3.98Å; L55-F93 HydrophobicContact CB-CG 4.38Å; L55-F93 HydrophobicContact CB-CZ 4.3Å; L55-F93 HydrophobicContact CD2-CB 3.24Å; L55-F93 HydrophobicContact CD2-CD1 3.53Å; L55-F93 HydrophobicContact CD2-CD2 3.95Å; L55-F93 HydrophobicContact CD2-CE1 4.32Å; L55-F93 HydrophobicContact CD2-CG 3.3Å; L55-F93 HydrophobicContact CG-CD1 4.4Å; L55-F93 HydrophobicContact CG-CG 4.37Å; L55-C110 HydrophobicContact CD1-CB 3.86Å; L55-Q111 WeakPolarHBondContact CD1-O 3.4Å; L55-Y113 VanDerWaalsContact C-CE1 3.43Å
56	A	98.8	Very high	97.7	Very high	3 Å²	3	59 Å²	59	3%	0.025	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	146.4	165.8	0	0	0	0	0	111.5	Y58 L68 I70 C110 Q111 Y113	A56-Y58 HydrophobicContact CB-CD2 4.39Å; A56-Y58 HydrophobicContact CB-CE2 3.57Å; A56-L68 HydrophobicContact CB-CD1 3.84Å; A56-I70 CarbonylContact C-O 3.57Å; A56-I70 WeakPolarHBondContact CA-O 3.17Å; A56-C110 CarbonylContact O-C 3.57Å; A56-C110 WeakPolarHBondContact O-CA 3.3Å; A56-Q111 PolarHBondContact N-O 3.47Å; A56-Q111 PolarHBondContact O-N 3.28Å; A56-Y113 HydrophobicContact CB-CD1 4.32Å; A56-Y113 HydrophobicContact CB-CE1 4.08Å
57	W	98.9	Very high	97.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	139	168	-69.8	97.4	0	0	0	109.8	I43 C45 L55 L69 I70 L95 Y109 C110	I43-W57 HydrophobicContact CB-CH2 4.34Å; I43-W57 HydrophobicContact CB-CZ3 4.44Å; I43-W57 HydrophobicContact CG2-CH2 4.02Å; I43-W57 HydrophobicContact CG2-CZ3 4Å; C45-W57 HydrophobicContact CB-CH2 3.59Å; C45-W57 HydrophobicContact CB-CZ2 3.76Å; C45-W57 HydrophobicContact CB-CZ3 4.48Å; L55-W57 HydrophobicContact CD2-CZ2 4.29Å; W57-L69 HydrophobicContact CB-CB 4.44Å; W57-L69 WeakPolarHBondContact O-CA 3.41Å; W57-L69 WeakPolarHBondContact O-CB 3.32Å; W57-L69 PolarHBondContact O-N 2.85Å; W57-I70 HydrophobicContact CB-CB 4.12Å; W57-I70 PolarHBondContact N-O 3.38Å; W57-I70 PolarHBondContact O-N 2.93Å; W57-L95 HydrophobicContact CD2-CB 3.68Å; W57-L95 HydrophobicContact CD2-CD2 4.16Å; W57-L95 HydrophobicContact CD2-CG 4.38Å; W57-L95 HydrophobicContact CE3-CB 3.88Å; W57-L95 HydrophobicContact CE3-CD2 3.88Å; W57-L95 HydrophobicContact CE3-CG 4.48Å; W57-L95 HydrophobicContact CG-CB 4.25Å; W57-L95 HydrophobicContact CG-CD1 4.42Å; W57-L95 HydrophobicContact CH2-CB 3.91Å; W57-L95 HydrophobicContact CZ2-CB 3.73Å; W57-L95 HydrophobicContact CZ3-CB 3.98Å; W57-L95 HydrophobicContact CZ3-CD2 4.36Å; W57-Y109 CarbonylContact C-O 3.57Å; W57-Y109 WeakPolarHBondContact CA-O 3.21Å; W57-C110 HydrophobicContact CD2-CB 4.17Å; W57-C110 HydrophobicContact CE3-CB 3.85Å; W57-C110 HydrophobicContact CH2-CB 3.91Å; W57-C110 HydrophobicContact CZ2-CB 4.19Å; W57-C110 HydrophobicContact CZ3-CB 3.72Å
58	Y	98.8	Very high	97.8	Very high	62 Å²	62	61 Å²	61	24%	0.243	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.7	177.8	-64.2	-95.6	0	0	0	110.4	A56 P66 E67 L68 Y108 Y109 Q111	A56-Y58 HydrophobicContact CB-CD2 4.39Å; A56-Y58 HydrophobicContact CB-CE2 3.57Å; Y58-P66 HydrophobicContact CD1-CB 4.42Å; Y58-E67 CarbonylContact C-O 3.56Å; Y58-E67 WeakPolarHBondContact CA-O 3.21Å; Y58-L68 HydrophobicContact CD1-CB 4.36Å; Y58-L68 HydrophobicContact CD1-CD1 4.45Å; Y58-L68 HydrophobicContact CE1-CB 4.06Å; Y58-L68 HydrophobicContact CE1-CD1 3.93Å; Y58-L68 HydrophobicContact CE2-CD1 4.4Å; Y58-Y108 VanDerWaalsContact O-CA 3.3Å; Y58-Y108 WeakPolarHBondContact O-CA 3.28Å; Y58-Y109 PolarHBondContact N-O 3.06Å; Y58-Y109 PolarHBondContact O-N 3.5Å; Y58-Q111 HydrophobicContact CD2-CB 4.38Å; Y58-Q111 HydrophobicContact CE2-CB 3.93Å; Y58-Q111 PolarHBondContact OH-OE1 2.99Å
59	Q	98.7	Very high	98	Very high	21 Å²	21	59 Å²	59	10%	0.098	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.3	169.9	-174	-174.3	49.4	0	0	109.1	P66 E67 L69 A106 Y108	Q59-P66 WeakPolarHBondContact O-CA 3.34Å; Q59-E67 PolarHBondContact N-O 2.88Å; Q59-E67 PolarHBondContact O-N 2.86Å; Q59-L69 HydrophobicContact CB-CD1 4.45Å; Q59-A106 HydrophobicContact CG-CB 3.5Å; Q59-Y108 HydrophobicContact CB-CD1 4.18Å; Q59-Y108 HydrophobicContact CB-CE1 3.89Å; Q59-Y108 HydrophobicContact CG-CD1 4.29Å; Q59-Y108 HydrophobicContact CG-CE1 3.72Å; Q59-Y108 PolarHBondContact NE2-OH 3.47Å
60	Q	98.6	Very high	98.2	Very high	53 Å²	53	54.9 Å²	54.9	25%	0.248	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	108	173.9	-172.1	179.2	29.3	0	0	110.5	K64 P66 A106 T107 Y109	Q60-K64 VanDerWaalsContact CG-O 3.31Å; Q60-K64 WeakPolarHBondContact CG-O 3.24Å; Q60-K64 PolarHBondContact NE2-O 2.84Å; Q60-P66 HydrophobicContact CB-CB 4.33Å; Q60-P66 HydrophobicContact CB-CG 4.25Å; Q60-P66 HydrophobicContact CG-CG 4.18Å; Q60-A106 WeakPolarHBondContact O-CB 3.22Å; Q60-T107 PolarHBondContact N-O 3.09Å; Q60-T107 PolarHBondContact O-N 3.21Å; Q60-Y109 HydrophobicContact CB-CD2 4.42Å; Q60-Y109 HydrophobicContact CB-CE2 3.75Å; Q60-Y109 PolarHBondContact OE1-OH 2.84Å
61	K	97.7	Very high	98.3	Very high	83 Å²	83	57.6 Å²	57.6	36%	0.361	32%	0.323	S	S	.	.			trans	-76.4	153.4	172.4	-65.9	-179	-178.8	-176.1	0	110.6	G63 K64 E103 A106	K61-G63 PolarHBondContact O-N 2.82Å; K61-K64 HydrophobicContact CB-CB 4.3Å; K61-K64 HydrophobicContact CB-CG 4.11Å; K61-K64 PolarHBondContact O-N 3.41Å; K61-E103 WeakPolarHBondContact CE-O 3.39Å; K61-E103 PolarHBondContact NZ-O 3.28Å; K61-A106 HydrophobicContact CG-CB 4.26Å
62	P	97.3	Very high	98.4	Very high	113 Å²	113	59 Å²	59	73%	0.734	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	127.8	178.1	-27.8	35.5	0	0	0	112.5	K64	P62-K64 PolarHBondContact O-N 3.24Å
63	G	97.7	Very high	98.4	Very high	88 Å²	88	55.8 Å²	55.8	91%	0.907	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	11.5	179.7	0	0	0	0	0	115.5	K61	K61-G63 PolarHBondContact O-N 2.82Å
64	K	98.1	Very high	98.4	Very high	138 Å²	138	57 Å²	57	60%	0.6	32%	0.32	S	S	*	.	S	Bend	trans	-114.4	160.3	177	-57.8	-61.8	-178.1	-179.9	0	111.5	Q60 K61 P62	Q60-K64 VanDerWaalsContact CG-O 3.31Å; Q60-K64 WeakPolarHBondContact CG-O 3.24Å; Q60-K64 PolarHBondContact NE2-O 2.84Å; K61-K64 HydrophobicContact CB-CB 4.3Å; K61-K64 HydrophobicContact CB-CG 4.11Å; K61-K64 PolarHBondContact O-N 3.41Å; P62-K64 PolarHBondContact O-N 3.24Å
65	A	98.1	Very high	98.5	Very high	74 Å²	74	54.6 Å²	54.6	61%	0.612	32%	0.317	S	S	*	.			trans	-71.5	154.6	168.5	0	0	0	0	0	110.2
66	P	98.4	Very high	98.5	Very high	65 Å²	65	57.4 Å²	57.4	42%	0.422	33%	0.332	S	S	.	.			trans	-62.2	133.9	170.9	-20.7	32.8	0	0	0	111.7	Y58 Q59 Q60	Y58-P66 HydrophobicContact CD1-CB 4.42Å; Q59-P66 WeakPolarHBondContact O-CA 3.34Å; Q60-P66 HydrophobicContact CB-CB 4.33Å; Q60-P66 HydrophobicContact CB-CG 4.25Å; Q60-P66 HydrophobicContact CG-CG 4.18Å
67	E	98.5	Very high	98.5	Very high	129 Å²	129	60.7 Å²	60.7	60%	0.603	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	143.1	176.5	-68.6	178.6	-178	0	0	110.3	Y58 Q59 L69	Y58-E67 CarbonylContact C-O 3.56Å; Y58-E67 WeakPolarHBondContact CA-O 3.21Å; Q59-E67 PolarHBondContact N-O 2.88Å; Q59-E67 PolarHBondContact O-N 2.86Å; E67-L69 PolarHBondContact O-N 2.95Å
68	L	98.8	Very high	98.5	Very high	55 Å²	55	66 Å²	66	29%	0.288	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	124.2	179.3	-179.6	64.6	0	0	0	110.1	A56 Y58 I70 Y71 Q77	A56-L68 HydrophobicContact CB-CD1 3.84Å; Y58-L68 HydrophobicContact CD1-CB 4.36Å; Y58-L68 HydrophobicContact CD1-CD1 4.45Å; Y58-L68 HydrophobicContact CE1-CB 4.06Å; Y58-L68 HydrophobicContact CE1-CD1 3.93Å; Y58-L68 HydrophobicContact CE2-CD1 4.4Å; L68-I70 WeakPolarHBondContact CD1-O 2.99Å; L68-Y71 HydrophobicContact CD2-CD1 4.48Å; L68-Q77 HydrophobicContact CG-CB 4.27Å; L68-Q77 HydrophobicContact CG-CG 4.5Å; L68-Q77 WeakPolarHBondContact O-CB 3.18Å
69	L	98.8	Very high	98.4	Very high	6 Å²	6	66.9 Å²	66.9	3%	0.031	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-51.1	-179.7	-171.2	75.6	0	0	0	111.4	W57 Q59 E67 Q77 V80 F84 L95 Y108	W57-L69 HydrophobicContact CB-CB 4.44Å; W57-L69 WeakPolarHBondContact O-CA 3.41Å; W57-L69 WeakPolarHBondContact O-CB 3.32Å; W57-L69 PolarHBondContact O-N 2.85Å; Q59-L69 HydrophobicContact CB-CD1 4.45Å; E67-L69 PolarHBondContact O-N 2.95Å; L69-Q77 PolarHBondContact O-N 2.88Å; L69-V80 HydrophobicContact CD1-CB 4.45Å; L69-V80 HydrophobicContact CD1-CG1 3.47Å; L69-V80 VanDerWaalsContact CD1-CG1 3.47Å; L69-V80 HydrophobicContact CD1-CG2 4.05Å; L69-V80 HydrophobicContact CG-CG1 4.12Å; L69-F84 HydrophobicContact CD1-CD1 4.13Å; L69-F84 HydrophobicContact CD1-CD2 4.22Å; L69-F84 HydrophobicContact CD1-CE1 4.27Å; L69-F84 HydrophobicContact CD1-CE2 4.37Å; L69-F84 HydrophobicContact CD1-CG 4.09Å; L69-F84 HydrophobicContact CD1-CZ 4.38Å; L69-F84 HydrophobicContact CD2-CD1 3.75Å; L69-F84 HydrophobicContact CD2-CE1 4.13Å; L69-F84 HydrophobicContact CD2-CG 4.31Å; L69-F84 HydrophobicContact CG-CD1 4.35Å; L69-F84 HydrophobicContact CG-CG 4.45Å; L69-L95 HydrophobicContact CD2-CD1 3.8Å; L69-L95 HydrophobicContact CD2-CD2 4.02Å; L69-Y108 HydrophobicContact CD2-CD1 4.12Å; L69-Y108 HydrophobicContact CD2-CE1 3.87Å
70	I	98.9	Very high	98.4	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139	-177.4	-55.9	-172.8	0	0	0	108.5	A56 W57 L68 T75 L76 S85 G86 L95	A56-I70 CarbonylContact C-O 3.57Å; A56-I70 WeakPolarHBondContact CA-O 3.17Å; W57-I70 HydrophobicContact CB-CB 4.12Å; W57-I70 PolarHBondContact N-O 3.38Å; W57-I70 PolarHBondContact O-N 2.93Å; L68-I70 WeakPolarHBondContact CD1-O 2.99Å; I70-T75 CarbonylContact C-O 3.5Å; I70-T75 VanDerWaalsContact CA-O 3.25Å; I70-T75 WeakPolarHBondContact CA-O 3.3Å; I70-T75 WeakPolarHBondContact CG2-O 2.98Å; I70-L76 HydrophobicContact CD1-CD2 4.01Å; I70-L76 HydrophobicContact CG1-CD2 3.86Å; I70-S85 VanDerWaalsContact CD1-C 3.41Å; I70-G86 VanDerWaalsContact CD1-N 3.25Å; I70-L95 HydrophobicContact CD1-CD1 3.64Å
71	Y	98.7	Very high	98.4	Very high	96 Å²	96	67.1 Å²	67.1	38%	0.376	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	168.4	171.4	68.1	-85.9	0	0	0	110.8	L55 L68 A73 S74 T75	L55-Y71 CarbonylContact O-C 3.53Å; L68-Y71 HydrophobicContact CD2-CD1 4.48Å; Y71-A73 PolarHBondContact O-N 2.91Å; Y71-A73 VanDerWaalsContact O-N 3.13Å; Y71-S74 PolarHBondContact O-N 3.29Å; Y71-T75 HydrophobicContact CD1-CG2 4.38Å; Y71-T75 WeakPolarHBondContact CD1-O 3.4Å; Y71-T75 HydrophobicContact CE1-CG2 3.59Å; Y71-T75 HydrophobicContact CE2-CG2 3.83Å; Y71-T75 PolarHBondContact N-O 2.02Å; Y71-T75 WeakPolarHBondContact O-CA 3.35Å; Y71-T75 WeakPolarHBondContact O-CB 3.4Å; Y71-T75 PolarHBondContact O-N 3.26Å; Y71-T75 VanDerWaalsContact OH-CG2 3.25Å; Y71-T75 WeakPolarHBondContact OH-CG2 3.32Å
72	A	98.4	Very high	98.4	Very high	28 Å²	28	68.7 Å²	68.7	23%	0.231	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	38.4	-176.6	0	0	0	0	0	112.8	S53 L55 S74 Y113	S53-A72 CarbonylContact O-C 3.14Å; S53-A72 WeakPolarHBondContact O-CA 3.31Å; L55-A72 PolarHBondContact O-N 2.87Å; A72-S74 PolarHBondContact O-N 2.83Å; A72-Y113 WeakPolarHBondContact CA-OH 3.25Å; A72-Y113 PolarHBondContact N-OH 2.87Å; A72-Y113 VanDerWaalsContact N-OH 3.09Å
73	A	98.6	Very high	98.5	Very high	2 Å²	2	65.5 Å²	65.5	2%	0.017	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	-30.6	-175.9	0	0	0	0	0	117.3	S53 L55 Y71 G86 S87 F93	S53-A73 PolarHBondContact O-N 2.77Å; L55-A73 HydrophobicContact CB-CB 4.39Å; L55-A73 PolarHBondContact O-N 3.46Å; Y71-A73 PolarHBondContact O-N 2.91Å; Y71-A73 VanDerWaalsContact O-N 3.13Å; A73-G86 CarbonylContact O-C 3.19Å; A73-G86 WeakPolarHBondContact O-CA 3.41Å; A73-S87 PolarHBondContact O-N 3.22Å; A73-F93 HydrophobicContact CB-CD1 3.65Å; A73-F93 HydrophobicContact CB-CE1 3.54Å
74	S	98.7	Very high	98.5	Very high	73 Å²	73	61.5 Å²	61.5	51%	0.51	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.8	-6.3	-171.1	61.3	0	0	0	0	115.5	Y71 A72 G86	Y71-S74 PolarHBondContact O-N 3.29Å; A72-S74 PolarHBondContact O-N 2.83Å; S74-G86 WeakPolarHBondContact CA-O 3.34Å; S74-G86 WeakPolarHBondContact CB-O 3.28Å
75	T	98.8	Very high	98.6	Very high	57 Å²	57	57.6 Å²	57.6	35%	0.35	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	120.6	-177.4	-50	0	0	0	0	110.9	I70 Y71	I70-T75 CarbonylContact C-O 3.5Å; I70-T75 VanDerWaalsContact CA-O 3.25Å; I70-T75 WeakPolarHBondContact CA-O 3.3Å; I70-T75 WeakPolarHBondContact CG2-O 2.98Å; Y71-T75 HydrophobicContact CD1-CG2 4.38Å; Y71-T75 WeakPolarHBondContact CD1-O 3.4Å; Y71-T75 HydrophobicContact CE1-CG2 3.59Å; Y71-T75 HydrophobicContact CE2-CG2 3.83Å; Y71-T75 PolarHBondContact N-O 2.02Å; Y71-T75 WeakPolarHBondContact O-CA 3.35Å; Y71-T75 WeakPolarHBondContact O-CB 3.4Å; Y71-T75 PolarHBondContact O-N 3.26Å; Y71-T75 VanDerWaalsContact OH-CG2 3.25Å; Y71-T75 WeakPolarHBondContact OH-CG2 3.32Å
76	L	98.8	Very high	98.6	Very high	59 Å²	59	54.6 Å²	54.6	31%	0.309	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	136.9	177.2	-69.2	165.7	0	0	0	110.8	I70 V80 F84	I70-L76 HydrophobicContact CD1-CD2 4.01Å; I70-L76 HydrophobicContact CG1-CD2 3.86Å; L76-V80 HydrophobicContact CB-CB 4.43Å; L76-V80 HydrophobicContact CD2-CB 4.2Å; L76-V80 HydrophobicContact CD2-CG1 3.61Å; L76-F84 HydrophobicContact CD2-CB 3.78Å; L76-F84 WeakPolarHBondContact CD2-O 3.49Å
77	Q	98.7	Very high	98.6	Very high	73 Å²	73	54.2 Å²	54.2	34%	0.341	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-65.6	149.8	167	175.6	61.4	-61.1	0	0	110.2	L68 L69 G79 V80	L68-Q77 HydrophobicContact CG-CB 4.27Å; L68-Q77 HydrophobicContact CG-CG 4.5Å; L68-Q77 WeakPolarHBondContact O-CB 3.18Å; L69-Q77 PolarHBondContact O-N 2.88Å; Q77-G79 PolarHBondContact O-N 2.83Å; Q77-V80 HydrophobicContact CB-CG2 3.9Å; Q77-V80 VanDerWaalsContact O-CB 3.28Å; Q77-V80 WeakPolarHBondContact O-CB 3.47Å; Q77-V80 WeakPolarHBondContact O-CG2 3.32Å; Q77-V80 PolarHBondContact O-N 3.14Å
78	S	98.5	Very high	98.6	Very high	111 Å²	111	50 Å²	50	78%	0.776	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	130.5	176.1	-67.2	0	0	0	0	111.9	V80	S78-V80 VanDerWaalsContact C-N 3.29Å; S78-V80 PolarHBondContact O-N 2.78Å
79	G	98.2	Very high	98.6	Very high	81 Å²	81	51.4 Å²	51.4	84%	0.835	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-7	-179.9	0	0	0	0	0	114.9	Q77	Q77-G79 PolarHBondContact O-N 2.83Å
80	V	98.5	Very high	98.5	Very high	28 Å²	28	52.2 Å²	52.2	17%	0.17	35%	0.352	C	S	.	.			trans	-73.9	128.5	175.2	178.5	0	0	0	0	110.2	L69 L76 Q77 S78 F84	L69-V80 HydrophobicContact CD1-CB 4.45Å; L69-V80 HydrophobicContact CD1-CG1 3.47Å; L69-V80 VanDerWaalsContact CD1-CG1 3.47Å; L69-V80 HydrophobicContact CD1-CG2 4.05Å; L69-V80 HydrophobicContact CG-CG1 4.12Å; L76-V80 HydrophobicContact CB-CB 4.43Å; L76-V80 HydrophobicContact CD2-CB 4.2Å; L76-V80 HydrophobicContact CD2-CG1 3.61Å; Q77-V80 HydrophobicContact CB-CG2 3.9Å; Q77-V80 VanDerWaalsContact O-CB 3.28Å; Q77-V80 WeakPolarHBondContact O-CB 3.47Å; Q77-V80 WeakPolarHBondContact O-CG2 3.32Å; Q77-V80 PolarHBondContact O-N 3.14Å; S78-V80 VanDerWaalsContact C-N 3.29Å; S78-V80 PolarHBondContact O-N 2.78Å; V80-F84 HydrophobicContact CG1-CB 3.98Å; V80-F84 HydrophobicContact CG1-CD2 3.7Å; V80-F84 HydrophobicContact CG1-CG 4.06Å
81	P	98.5	Very high	98.5	Very high	51 Å²	51	54.5 Å²	54.5	33%	0.331	37%	0.366	S	S	.	.			trans	-59.5	144.4	178.7	-28.8	37.8	0	0	0	114	R83 F84	P81-R83 HydrophobicContact CB-CG 3.89Å; P81-R83 PolarHBondContact O-N 2.87Å; P81-F84 HydrophobicContact CB-CD2 4.19Å; P81-F84 HydrophobicContact CB-CE2 4.4Å; P81-F84 HydrophobicContact CG-CD2 4.49Å; P81-F84 HydrophobicContact CG-CE2 4.35Å; P81-F84 WeakPolarHBondContact O-CD2 3.42Å; P81-F84 PolarHBondContact O-N 2.86Å
82	S	98.3	Very high	98.5	Very high	116 Å²	116	53.1 Å²	53.1	81%	0.811	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-7.7	179.4	58	0	0	0	0	115.1	F84	S82-F84 PolarHBondContact O-N 2.81Å
83	R	98.3	Very high	98.5	Very high	46 Å²	46	51.9 Å²	51.9	17%	0.174	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.7	170	62.1	173.1	-180	-91.5	4.7	112.5	P81 I97 S98 C99 E103 D104	P81-R83 HydrophobicContact CB-CG 3.89Å; P81-R83 PolarHBondContact O-N 2.87Å; R83-I97 HydrophobicContact CG-CG2 4.49Å; R83-I97 CarbonylContact O-C 3.58Å; R83-I97 WeakPolarHBondContact O-CA 3.32Å; R83-S98 WeakPolarHBondContact CA-OG 3.39Å; R83-S98 PolarHBondContact O-N 2.86Å; R83-S98 PolarHBondContact O-OG 2.82Å; R83-C99 VanDerWaalsContact CD-O 3.32Å; R83-C99 WeakPolarHBondContact CD-O 3.34Å; R83-E103 IonicContact CZ-OE1 2.74Å; R83-E103 IonicContact NH1-OE1 3.83Å; R83-E103 IonicContact NH2-OE1 3.47Å; R83-E103 PolarHBondContact NH2-OE1 3.45Å; R83-D104 IonicContact CZ-OD1 3.99Å; R83-D104 IonicContact CZ-OD2 2.74Å; R83-D104 IonicContact NE-OD1 3.55Å; R83-D104 PolarHBondContact NE-OD1 2.81Å; R83-D104 IonicContact NE-OD2 3.46Å; R83-D104 PolarHBondContact NE-OD2 3.23Å; R83-D104 IonicContact NH2-OD1 3.6Å; R83-D104 PolarHBondContact NH2-OD1 2.95Å; R83-D104 IonicContact NH2-OD2 3.32Å
84	F	98.9	Very high	98.5	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.018	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	139.6	171.7	-64.4	-81.4	0	0	0	110.1	L69 L76 V80 P81 S82 L95 T96 I97 D104 Y108	L69-F84 HydrophobicContact CD1-CD1 4.13Å; L69-F84 HydrophobicContact CD1-CD2 4.22Å; L69-F84 HydrophobicContact CD1-CE1 4.27Å; L69-F84 HydrophobicContact CD1-CE2 4.37Å; L69-F84 HydrophobicContact CD1-CG 4.09Å; L69-F84 HydrophobicContact CD1-CZ 4.38Å; L69-F84 HydrophobicContact CD2-CD1 3.75Å; L69-F84 HydrophobicContact CD2-CE1 4.13Å; L69-F84 HydrophobicContact CD2-CG 4.31Å; L69-F84 HydrophobicContact CG-CD1 4.35Å; L69-F84 HydrophobicContact CG-CG 4.45Å; L76-F84 HydrophobicContact CD2-CB 3.78Å; L76-F84 WeakPolarHBondContact CD2-O 3.49Å; V80-F84 HydrophobicContact CG1-CB 3.98Å; V80-F84 HydrophobicContact CG1-CD2 3.7Å; V80-F84 HydrophobicContact CG1-CG 4.06Å; P81-F84 HydrophobicContact CB-CD2 4.19Å; P81-F84 HydrophobicContact CB-CE2 4.4Å; P81-F84 HydrophobicContact CG-CD2 4.49Å; P81-F84 HydrophobicContact CG-CE2 4.35Å; P81-F84 WeakPolarHBondContact O-CD2 3.42Å; P81-F84 PolarHBondContact O-N 2.86Å; S82-F84 PolarHBondContact O-N 2.81Å; F84-L95 HydrophobicContact CD1-CD1 4.48Å; F84-T96 CarbonylContact C-O 3.48Å; F84-T96 WeakPolarHBondContact CA-O 3.37Å; F84-I97 HydrophobicContact CD1-CD1 4.33Å; F84-I97 HydrophobicContact CD1-CG1 3.81Å; F84-I97 HydrophobicContact CD1-CG2 4.35Å; F84-I97 HydrophobicContact CE1-CB 4.47Å; F84-I97 HydrophobicContact CE1-CD1 3.72Å; F84-I97 HydrophobicContact CE1-CG1 3.69Å; F84-I97 HydrophobicContact CE1-CG2 4.09Å; F84-I97 HydrophobicContact CZ-CG2 4.48Å; F84-D104 HydrophobicContact CZ-CB 4.32Å; F84-D104 VanDerWaalsContact CZ-OD1 3.24Å; F84-D104 WeakPolarHBondContact CZ-OD1 3.32Å; F84-Y108 HydrophobicContact CE1-CE1 4.04Å; F84-Y108 WeakPolarHBondContact CE1-OH 3.47Å
85	S	98.8	Very high	98.5	Very high	55 Å²	55	50 Å²	50	39%	0.385	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	145.7	170.3	50.8	0	0	0	0	110.7	I70 T96	I70-S85 VanDerWaalsContact CD1-C 3.41Å; S85-T96 PolarHBondContact N-O 3.33Å; S85-T96 PolarHBondContact O-N 2.97Å
86	G	98.8	Very high	98.5	Very high	11 Å²	11	47.7 Å²	47.7	11%	0.113	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	145.7	175.7	0	0	0	0	0	109.7	I70 A73 S74 T94	I70-G86 VanDerWaalsContact CD1-N 3.25Å; A73-G86 CarbonylContact O-C 3.19Å; A73-G86 WeakPolarHBondContact O-CA 3.41Å; S74-G86 WeakPolarHBondContact CA-O 3.34Å; S74-G86 WeakPolarHBondContact CB-O 3.28Å; G86-T94 CarbonylContact C-O 3.55Å; G86-T94 WeakPolarHBondContact CA-O 3.33Å
87	S	98.6	Very high	98.5	Very high	58 Å²	58	45 Å²	45	41%	0.406	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	165.2	176	67.5	0	0	0	0	111.3	A73 F93 T94	A73-S87 PolarHBondContact O-N 3.22Å; S87-F93 CarbonylContact O-C 3.56Å; S87-F93 VanDerWaalsContact O-CA 3.27Å; S87-F93 WeakPolarHBondContact O-CA 3.33Å; S87-T94 PolarHBondContact N-O 3.34Å; S87-T94 PolarHBondContact O-N 3.05Å
88	G	98.3	Very high	98.5	Very high	40 Å²	40	44.4 Å²	44.4	41%	0.412	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	109.2	168.6	177	0	0	0	0	0	114.2	D92 F93	G88-D92 VanDerWaalsContact CA-O 3.23Å; G88-D92 WeakPolarHBondContact CA-O 3.37Å; G88-F93 WeakPolarHBondContact O-CE1 3.3Å
89	S	97.9	Very high	98.5	Very high	84 Å²	84	41.6 Å²	41.6	59%	0.587	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-162.9	165.3	178	65	0	0	0	0	109.5	S52 T91 D92	S52-S89 CarbonylContact O-C 3.5Å; S52-S89 VanDerWaalsContact O-CA 3.29Å; S52-S89 WeakPolarHBondContact O-CA 3.46Å; S89-T91 PolarHBondContact O-N 3.03Å; S89-D92 PolarHBondContact N-O 3.23Å
90	G	97.9	Very high	98.5	Very high	24 Å²	24	38.1 Å²	38.1	25%	0.247	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	-106.7	-179.6	0	0	0	0	0	110.4	G50 I51 S52 F93	G50-G90 WeakPolarHBondContact CA-O 3.3Å; I51-G90 VanDerWaalsContact CG1-O 3.28Å; I51-G90 WeakPolarHBondContact CG1-O 3.26Å; I51-G90 PolarHBondContact N-O 2.83Å; S52-G90 PolarHBondContact O-N 2.99Å; G90-F93 WeakPolarHBondContact O-CE2 3.44Å
91	T	98.1	Very high	98.5	Very high	47 Å²	47	39.6 Å²	39.6	29%	0.288	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-15.9	-173.1	47	0	0	0	0	114.5	R46 M47 Q49 S89	R46-T91 CarbonylContact C-O 3.56Å; R46-T91 VanDerWaalsContact CA-O 3.26Å; R46-T91 WeakPolarHBondContact CA-O 3.41Å; M47-T91 PolarHBondContact N-O 2.8Å; Q49-T91 VanDerWaalsContact C-CG2 3.48Å; S89-T91 PolarHBondContact O-N 3.03Å
92	D	98.6	Very high	98.5	Very high	68 Å²	68	41.2 Å²	41.2	36%	0.364	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	125.3	-165.8	-66.6	-86.5	0	0	0	110.6	R46 G88 S89	R46-D92 WeakPolarHBondContact CG-OD1 3.37Å; R46-D92 IonicContact CZ-OD1 3.56Å; R46-D92 IonicContact CZ-OD2 3.55Å; R46-D92 IonicContact NE-OD1 3.46Å; R46-D92 IonicContact NH1-OD1 2.75Å; R46-D92 PolarHBondContact NH1-OD1 2.91Å; R46-D92 IonicContact NH1-OD2 2.8Å; R46-D92 PolarHBondContact NH1-OD2 2.91Å; G88-D92 VanDerWaalsContact CA-O 3.23Å; G88-D92 WeakPolarHBondContact CA-O 3.37Å; S89-D92 PolarHBondContact N-O 3.23Å
93	F	98.8	Very high	98.4	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	156.9	-175	-60.5	-95.6	0	0	0	111.4	S44 C45 M47 I51 S52 L55 A73 S87 G88 G90	S44-F93 CarbonylContact C-O 3.56Å; S44-F93 WeakPolarHBondContact CA-O 3.3Å; C45-F93 PolarHBondContact N-O 3.47Å; C45-F93 PolarHBondContact O-N 2.78Å; M47-F93 HydrophobicContact CE-CD2 3.28Å; M47-F93 HydrophobicContact CE-CE2 3.48Å; M47-F93 VanDerWaalsContact CE-CE2 3.48Å; M47-F93 HydrophobicContact CE-CG 4.15Å; M47-F93 HydrophobicContact CE-CZ 4.47Å; M47-F93 HydrophobicContact SD-CD2 3.44Å; M47-F93 WeakPolarHBondContact SD-CD2 3.36Å; M47-F93 HydrophobicContact SD-CE2 3.61Å; I51-F93 HydrophobicContact CD1-CE2 3.75Å; I51-F93 HydrophobicContact CD1-CZ 3.82Å; I51-F93 HydrophobicContact CG1-CE2 3.62Å; I51-F93 HydrophobicContact CG1-CZ 3.65Å; S52-F93 WeakPolarHBondContact O-CZ 3.35Å; L55-F93 HydrophobicContact CB-CD1 4.03Å; L55-F93 HydrophobicContact CB-CE1 3.98Å; L55-F93 HydrophobicContact CB-CG 4.38Å; L55-F93 HydrophobicContact CB-CZ 4.3Å; L55-F93 HydrophobicContact CD2-CB 3.24Å; L55-F93 HydrophobicContact CD2-CD1 3.53Å; L55-F93 HydrophobicContact CD2-CD2 3.95Å; L55-F93 HydrophobicContact CD2-CE1 4.32Å; L55-F93 HydrophobicContact CD2-CG 3.3Å; L55-F93 HydrophobicContact CG-CD1 4.4Å; L55-F93 HydrophobicContact CG-CG 4.37Å; A73-F93 HydrophobicContact CB-CD1 3.65Å; A73-F93 HydrophobicContact CB-CE1 3.54Å; S87-F93 CarbonylContact O-C 3.56Å; S87-F93 VanDerWaalsContact O-CA 3.27Å; S87-F93 WeakPolarHBondContact O-CA 3.33Å; G88-F93 WeakPolarHBondContact O-CE1 3.3Å; G90-F93 WeakPolarHBondContact O-CE2 3.44Å
94	T	98.8	Very high	98.4	Very high	33 Å²	33	37.7 Å²	37.7	20%	0.202	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	133.5	-176.7	-65.3	0	0	0	0	110.7	T42 I43 G86 S87	T42-T94 HydrophobicContact CG2-CG2 3.23Å; I43-T94 CarbonylContact O-C 3.58Å; I43-T94 VanDerWaalsContact O-CA 3.3Å; I43-T94 WeakPolarHBondContact O-CA 3.27Å; G86-T94 CarbonylContact C-O 3.55Å; G86-T94 WeakPolarHBondContact CA-O 3.33Å; S87-T94 PolarHBondContact N-O 3.34Å; S87-T94 PolarHBondContact O-N 3.05Å
95	L	98.9	Very high	98.3	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130	162.7	174.7	64.7	0	0	0	108.4	T42 I43 W57 L69 I70 F84 Y108	T42-L95 CarbonylContact C-O 3.54Å; T42-L95 WeakPolarHBondContact CA-O 3.21Å; I43-L95 HydrophobicContact CB-CB 4.41Å; I43-L95 HydrophobicContact CD1-CD2 4.39Å; I43-L95 PolarHBondContact N-O 2.83Å; I43-L95 PolarHBondContact O-N 2.99Å; W57-L95 HydrophobicContact CD2-CB 3.68Å; W57-L95 HydrophobicContact CD2-CD2 4.16Å; W57-L95 HydrophobicContact CD2-CG 4.38Å; W57-L95 HydrophobicContact CE3-CB 3.88Å; W57-L95 HydrophobicContact CE3-CD2 3.88Å; W57-L95 HydrophobicContact CE3-CG 4.48Å; W57-L95 HydrophobicContact CG-CB 4.25Å; W57-L95 HydrophobicContact CG-CD1 4.42Å; W57-L95 HydrophobicContact CH2-CB 3.91Å; W57-L95 HydrophobicContact CZ2-CB 3.73Å; W57-L95 HydrophobicContact CZ3-CB 3.98Å; W57-L95 HydrophobicContact CZ3-CD2 4.36Å; L69-L95 HydrophobicContact CD2-CD1 3.8Å; L69-L95 HydrophobicContact CD2-CD2 4.02Å; I70-L95 HydrophobicContact CD1-CD1 3.64Å; F84-L95 HydrophobicContact CD1-CD1 4.48Å; L95-Y108 HydrophobicContact CD2-CD1 3.48Å; L95-Y108 VanDerWaalsContact CD2-CD1 3.48Å; L95-Y108 HydrophobicContact CD2-CE1 4.02Å; L95-Y108 HydrophobicContact CD2-CG 4Å
96	T	98.9	Very high	98.3	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.055	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.5	174	-62.6	0	0	0	0	109.9	R40 V41 F84 S85	R40-T96 HydrophobicContact CG-CG2 4.29Å; R40-T96 VanDerWaalsContact CZ-CG2 3.49Å; V41-T96 WeakPolarHBondContact O-CA 3.4Å; F84-T96 CarbonylContact C-O 3.48Å; F84-T96 WeakPolarHBondContact CA-O 3.37Å; S85-T96 PolarHBondContact N-O 3.33Å; S85-T96 PolarHBondContact O-N 2.97Å
97	I	98.8	Very high	98.3	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	110.8	165.8	-43.5	176.6	0	0	0	106	R40 V41 R83 F84 L100 Y108	R40-I97 CarbonylContact C-O 3.59Å; R40-I97 WeakPolarHBondContact CA-O 3.47Å; V41-I97 HydrophobicContact CB-CB 4.18Å; V41-I97 HydrophobicContact CB-CD1 4.32Å; V41-I97 HydrophobicContact CB-CG1 4.35Å; V41-I97 HydrophobicContact CG1-CD1 4.3Å; V41-I97 PolarHBondContact N-O 2.89Å; V41-I97 PolarHBondContact O-N 2.85Å; R83-I97 HydrophobicContact CG-CG2 4.49Å; R83-I97 CarbonylContact O-C 3.58Å; R83-I97 WeakPolarHBondContact O-CA 3.32Å; F84-I97 HydrophobicContact CD1-CD1 4.33Å; F84-I97 HydrophobicContact CD1-CG1 3.81Å; F84-I97 HydrophobicContact CD1-CG2 4.35Å; F84-I97 HydrophobicContact CE1-CB 4.47Å; F84-I97 HydrophobicContact CE1-CD1 3.72Å; F84-I97 HydrophobicContact CE1-CG1 3.69Å; F84-I97 HydrophobicContact CE1-CG2 4.09Å; F84-I97 HydrophobicContact CZ-CG2 4.48Å; I97-L100 HydrophobicContact CD1-CD1 3.9Å; I97-L100 HydrophobicContact CG2-CD1 4.25Å; I97-Y108 HydrophobicContact CD1-CE1 4.45Å; I97-Y108 HydrophobicContact CD1-CE2 4.16Å; I97-Y108 WeakPolarHBondContact CD1-OH 3.23Å
98	S	98.6	Very high	98.3	Very high	61 Å²	61	42.4 Å²	42.4	43%	0.427	26%	0.262	S	S	.	.	S	Bend	trans	-74.4	-29.7	-170.4	61.2	0	0	0	0	113.9	R83	R83-S98 WeakPolarHBondContact CA-OG 3.39Å; R83-S98 PolarHBondContact O-N 2.86Å; R83-S98 PolarHBondContact O-OG 2.82Å
99	C	98.5	Very high	98.3	Very high	53 Å²	53	45.1 Å²	45.1	36%	0.358	26%	0.261	S	S	.	.	S	Bend	trans	-147.8	89.9	179.2	-176.9	0	0	0	0	108.5	R83 Q101	R83-C99 VanDerWaalsContact CD-O 3.32Å; R83-C99 WeakPolarHBondContact CD-O 3.34Å; C99-Q101 PolarHBondContact O-N 2.89Å; C99-Q101 PolarHBondContact O-NE2 2.9Å; C99-Q101 VanDerWaalsContact O-NE2 3.14Å; C99-Q101 PolarHBondContact SG-NE2 2.84Å; C99-Q101 VanDerWaalsContact SG-NE2 3.38Å
100	L	98.6	Very high	98.3	Very high	7 Å²	7	41.9 Å²	41.9	4%	0.037	24%	0.238	C	C	.	.			trans	-57.4	132.5	-175.1	-173.2	72.8	0	0	0	111.5	A35 T37 G38 D39 V41 I97 D104 F105	A35-L100 HydrophobicContact CB-CD2 3.72Å; T37-L100 CarbonylContact C-O 3.56Å; T37-L100 WeakPolarHBondContact CA-O 3.42Å; T37-L100 WeakPolarHBondContact CG2-O 3.37Å; G38-L100 PolarHBondContact N-O 2.8Å; D39-L100 VanDerWaalsContact O-CB 3.3Å; D39-L100 WeakPolarHBondContact O-CB 3.25Å; D39-L100 PolarHBondContact O-N 2.87Å; V41-L100 HydrophobicContact CG2-CB 4.44Å; V41-L100 HydrophobicContact CG2-CD1 4.17Å; V41-L100 HydrophobicContact CG2-CD2 4.05Å; V41-L100 HydrophobicContact CG2-CG 4.47Å; I97-L100 HydrophobicContact CD1-CD1 3.9Å; I97-L100 HydrophobicContact CG2-CD1 4.25Å; L100-D104 HydrophobicContact CD1-CB 3.56Å; L100-D104 HydrophobicContact CG-CB 4.46Å; L100-F105 HydrophobicContact CD2-CE1 4.02Å; L100-F105 HydrophobicContact CD2-CZ 4.02Å
101	Q	98.5	Very high	98.3	Very high	59 Å²	59	43.8 Å²	43.8	28%	0.276	24%	0.241	S	C	.	.			trans	-111.8	166	173.5	-56.5	-56.9	-51	0	0	111.7	C99 E103 D104	C99-Q101 PolarHBondContact O-N 2.89Å; C99-Q101 PolarHBondContact O-NE2 2.9Å; C99-Q101 VanDerWaalsContact O-NE2 3.14Å; C99-Q101 PolarHBondContact SG-NE2 2.84Å; C99-Q101 VanDerWaalsContact SG-NE2 3.38Å; Q101-E103 HydrophobicContact CB-CG 4.4Å; Q101-E103 WeakPolarHBondContact CB-OE1 3.48Å; Q101-E103 WeakPolarHBondContact CB-OE2 3.41Å; Q101-E103 PolarHBondContact O-N 3.05Å; Q101-D104 PolarHBondContact N-OD2 2.88Å; Q101-D104 VanDerWaalsContact O-CB 3.31Å; Q101-D104 WeakPolarHBondContact O-CB 3.45Å; Q101-D104 PolarHBondContact O-N 2.9Å
102	S	97	Very high	98.2	Very high	85 Å²	85	42.4 Å²	42.4	59%	0.594	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-65.5	-27.2	-179.6	58.8	0	0	0	0	113.2	D104 F105	S102-D104 PolarHBondContact O-N 3.42Å; S102-F105 VanDerWaalsContact O-CD2 3.25Å; S102-F105 WeakPolarHBondContact O-CD2 3.4Å
103	E	97.2	Very high	98.1	Very high	84 Å²	84	42.4 Å²	42.4	39%	0.393	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-75	-8	173.5	70.4	-87	-164.7	0	0	114.3	K61 R83 Q101	K61-E103 WeakPolarHBondContact CE-O 3.39Å; K61-E103 PolarHBondContact NZ-O 3.28Å; R83-E103 IonicContact CZ-OE1 2.74Å; R83-E103 IonicContact NH1-OE1 3.83Å; R83-E103 IonicContact NH2-OE1 3.47Å; R83-E103 PolarHBondContact NH2-OE1 3.45Å; Q101-E103 HydrophobicContact CB-CG 4.4Å; Q101-E103 WeakPolarHBondContact CB-OE1 3.48Å; Q101-E103 WeakPolarHBondContact CB-OE2 3.41Å; Q101-E103 PolarHBondContact O-N 3.05Å
104	D	98.1	Very high	97.9	Very high	4 Å²	4	48 Å²	48	2%	0.021	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-90.6	-8.1	-178.9	-58.2	-27	0	0	0	112.5	R83 F84 L100 Q101 S102 A106 Y108	R83-D104 IonicContact CZ-OD1 3.99Å; R83-D104 IonicContact CZ-OD2 2.74Å; R83-D104 IonicContact NE-OD1 3.55Å; R83-D104 PolarHBondContact NE-OD1 2.81Å; R83-D104 IonicContact NE-OD2 3.46Å; R83-D104 PolarHBondContact NE-OD2 3.23Å; R83-D104 IonicContact NH2-OD1 3.6Å; R83-D104 PolarHBondContact NH2-OD1 2.95Å; R83-D104 IonicContact NH2-OD2 3.32Å; F84-D104 HydrophobicContact CZ-CB 4.32Å; F84-D104 VanDerWaalsContact CZ-OD1 3.24Å; F84-D104 WeakPolarHBondContact CZ-OD1 3.32Å; L100-D104 HydrophobicContact CD1-CB 3.56Å; L100-D104 HydrophobicContact CG-CB 4.46Å; Q101-D104 PolarHBondContact N-OD2 2.88Å; Q101-D104 VanDerWaalsContact O-CB 3.31Å; Q101-D104 WeakPolarHBondContact O-CB 3.45Å; Q101-D104 PolarHBondContact O-N 2.9Å; S102-D104 PolarHBondContact O-N 3.42Å; D104-A106 PolarHBondContact O-N 3.13Å; D104-Y108 WeakPolarHBondContact O-CE2 3.29Å; D104-Y108 PolarHBondContact O-OH 2.74Å
105	F	97.5	Very high	97.5	Very high	108 Å²	108	48.6 Å²	48.6	47%	0.474	25%	0.254	S	S	.	.			trans	-66	98.2	173.5	-68.9	-71.5	0	0	0	110.5	L100 S102	L100-F105 HydrophobicContact CD2-CE1 4.02Å; L100-F105 HydrophobicContact CD2-CZ 4.02Å; S102-F105 VanDerWaalsContact O-CD2 3.25Å; S102-F105 WeakPolarHBondContact O-CD2 3.4Å
106	A	98.1	Very high	96.8	Very high	28 Å²	28	55.7 Å²	55.7	23%	0.231	29%	0.285	C	S	.	.	S	Bend	trans	-153.8	169	-171.7	0	0	0	0	0	110.6	Q59 Q60 K61 D104 Y108	Q59-A106 HydrophobicContact CG-CB 3.5Å; Q60-A106 WeakPolarHBondContact O-CB 3.22Å; K61-A106 HydrophobicContact CG-CB 4.26Å; D104-A106 PolarHBondContact O-N 3.13Å; A106-Y108 HydrophobicContact CB-CE2 4.07Å
107	T	98.4	Very high	95.4	Very high	74 Å²	74	62.9 Å²	62.9	45%	0.454	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	136.8	164.1	-51.9	0	0	0	0	108.9	Q60 Y109	Q60-T107 PolarHBondContact N-O 3.09Å; Q60-T107 PolarHBondContact O-N 3.21Å; T107-Y109 HydrophobicContact CG2-CD1 4.47Å; T107-Y109 HydrophobicContact CG2-CE1 3.72Å; T107-Y109 HydrophobicContact CG2-CE2 3.82Å; T107-Y109 WeakPolarHBondContact CG2-OH 3.44Å
108	Y	98.6	Very high	95.2	Very high	17 Å²	17	66 Å²	66	7%	0.067	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.9	178.7	-68.3	-91.1	0	0	0	110.1	Q28 I43 Y58 Q59 L69 F84 L95 I97 D104 A106	Q28-Y108 PolarHBondContact NE2-O 3.4Å; Q28-Y108 PolarHBondContact OE1-O 2.83Å; I43-Y108 HydrophobicContact CD1-CD2 3.97Å; I43-Y108 HydrophobicContact CD1-CG 4.02Å; Y58-Y108 VanDerWaalsContact O-CA 3.3Å; Y58-Y108 WeakPolarHBondContact O-CA 3.28Å; Q59-Y108 HydrophobicContact CB-CD1 4.18Å; Q59-Y108 HydrophobicContact CB-CE1 3.89Å; Q59-Y108 HydrophobicContact CG-CD1 4.29Å; Q59-Y108 HydrophobicContact CG-CE1 3.72Å; Q59-Y108 PolarHBondContact NE2-OH 3.47Å; L69-Y108 HydrophobicContact CD2-CD1 4.12Å; L69-Y108 HydrophobicContact CD2-CE1 3.87Å; F84-Y108 HydrophobicContact CE1-CE1 4.04Å; F84-Y108 WeakPolarHBondContact CE1-OH 3.47Å; L95-Y108 HydrophobicContact CD2-CD1 3.48Å; L95-Y108 VanDerWaalsContact CD2-CD1 3.48Å; L95-Y108 HydrophobicContact CD2-CE1 4.02Å; L95-Y108 HydrophobicContact CD2-CG 4Å; I97-Y108 HydrophobicContact CD1-CE1 4.45Å; I97-Y108 HydrophobicContact CD1-CE2 4.16Å; I97-Y108 WeakPolarHBondContact CD1-OH 3.23Å; D104-Y108 WeakPolarHBondContact O-CE2 3.29Å; D104-Y108 PolarHBondContact O-OH 2.74Å; A106-Y108 HydrophobicContact CB-CE2 4.07Å
109	Y	98.3	Very high	95.1	Very high	98 Å²	98	66.2 Å²	66.2	38%	0.384	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.3	179.2	-54.1	-80	0	0	0	110.7	W57 Y58 Q60 T107	W57-Y109 CarbonylContact C-O 3.57Å; W57-Y109 WeakPolarHBondContact CA-O 3.21Å; Y58-Y109 PolarHBondContact N-O 3.06Å; Y58-Y109 PolarHBondContact O-N 3.5Å; Q60-Y109 HydrophobicContact CB-CD2 4.42Å; Q60-Y109 HydrophobicContact CB-CE2 3.75Å; Q60-Y109 PolarHBondContact OE1-OH 2.84Å; T107-Y109 HydrophobicContact CG2-CD1 4.47Å; T107-Y109 HydrophobicContact CG2-CE1 3.72Å; T107-Y109 HydrophobicContact CG2-CE2 3.82Å; T107-Y109 WeakPolarHBondContact CG2-OH 3.44Å
110	C	98.2	Very high	94.9	Very high	16 Å²	16	66.9 Å²	66.9	11%	0.108	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	142.4	163.2	64.4	0	0	0	0	111.2	C45 L55 A56 W57	C45-C110 HydrophobicContact CB-CB 3.45Å; C45-C110 VanDerWaalsContact CB-CB 3.45Å; C45-C110 WeakPolarHBondContact CB-SG 3.49Å; C45-C110 WeakPolarHBondContact SG-CB 3.44Å; C45-C110 CovalentContact SG-SG 2.02Å; C45-C110 PolarHBondContact SG-SG 2.84Å; L55-C110 HydrophobicContact CD1-CB 3.86Å; A56-C110 CarbonylContact O-C 3.57Å; A56-C110 WeakPolarHBondContact O-CA 3.3Å; W57-C110 HydrophobicContact CD2-CB 4.17Å; W57-C110 HydrophobicContact CE3-CB 3.85Å; W57-C110 HydrophobicContact CH2-CB 3.91Å; W57-C110 HydrophobicContact CZ2-CB 4.19Å; W57-C110 HydrophobicContact CZ3-CB 3.72Å
111	Q	97.5	Very high	94.7	Very high	63 Å²	63	70.5 Å²	70.5	29%	0.294	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	123.1	175.8	-176.5	-119.7	-40.9	0	0	110.3	L55 A56 Y58	L55-Q111 WeakPolarHBondContact CD1-O 3.4Å; A56-Q111 PolarHBondContact N-O 3.47Å; A56-Q111 PolarHBondContact O-N 3.28Å; Y58-Q111 HydrophobicContact CD2-CB 4.38Å; Y58-Q111 HydrophobicContact CE2-CB 3.93Å; Y58-Q111 PolarHBondContact OH-OE1 2.99Å
112	Q	96.6	Very high	94.4	Very high	18 Å²	18	71.2 Å²	71.2	8%	0.084	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	143.7	168.4	72.6	81.2	24.3	0	0	110.6	I24 M26 I51 Y54 S115	I24-Q112 HydrophobicContact CB-CG 4.4Å; I24-Q112 HydrophobicContact CG2-CG 4.14Å; M26-Q112 HydrophobicContact CE-CG 4.27Å; M26-Q112 HydrophobicContact CG-CG 4.48Å; M26-Q112 HydrophobicContact SD-CB 3.79Å; M26-Q112 HydrophobicContact SD-CG 3.6Å; M26-Q112 VanDerWaalsContact SD-CG 3.6Å; I51-Q112 HydrophobicContact CD1-CB 3.53Å; I51-Q112 HydrophobicContact CG2-CB 4.37Å; Y54-Q112 CarbonylContact O-C 3.59Å; Y54-Q112 WeakPolarHBondContact O-CA 3.21Å; Q112-S115 PolarHBondContact NE2-O 3.12Å; Q112-S115 PolarHBondContact OE1-O 3.35Å
113	Y	95.9	Very high	94.2	Very high	69 Å²	69	70.3 Å²	70.3	27%	0.271	35%	0.351	S	S	.	.			trans	-129.4	26.6	174.2	56.5	-91.8	0	0	0	112	Y54 L55 A56 A72	Y54-Y113 AromaticContact CD1-CD2 3.57Å; Y54-Y113 HydrophobicContact CD1-CD2 3.57Å; Y54-Y113 AromaticContact CD1-CE2 3.33Å; Y54-Y113 HydrophobicContact CD1-CE2 3.33Å; Y54-Y113 HydrophobicContact CE1-CE2 4.31Å; Y54-Y113 HydrophobicContact CG-CD2 4.19Å; Y54-Y113 AromaticContact CG-CE2 3.97Å; Y54-Y113 HydrophobicContact CG-CE2 3.97Å; Y54-Y113 WeakPolarHBondContact O-CD1 3.17Å; Y54-Y113 PolarHBondContact O-N 2.86Å; L55-Y113 VanDerWaalsContact C-CE1 3.43Å; A56-Y113 HydrophobicContact CB-CD1 4.32Å; A56-Y113 HydrophobicContact CB-CE1 4.08Å; A72-Y113 WeakPolarHBondContact CA-OH 3.25Å; A72-Y113 PolarHBondContact N-OH 2.87Å; A72-Y113 VanDerWaalsContact N-OH 3.09Å
114	Y	95.4	Very high	94	Very high	118 Å²	118	69.3 Å²	69.3	46%	0.463	35%	0.348	S	S	.	.	S	Bend	trans	-75.4	-41.9	177.1	177.7	-106.6	0	0	0	112.3	I24 I51 Y54	I24-Y114 HydrophobicContact CD1-CD1 3.91Å; I51-Y114 HydrophobicContact CB-CD1 4.44Å; I51-Y114 HydrophobicContact CB-CG 4Å; I51-Y114 HydrophobicContact CG2-CD1 4.15Å; I51-Y114 HydrophobicContact CG2-CG 4.14Å; Y54-Y114 AromaticContact CD2-CD2 3.65Å; Y54-Y114 HydrophobicContact CD2-CD2 3.65Å; Y54-Y114 HydrophobicContact CD2-CE2 4.45Å; Y54-Y114 HydrophobicContact CE2-CD2 4.06Å; Y54-Y114 HydrophobicContact CG-CD2 4.22Å
115	S	90.6	Very high	93.7	Very high	46 Å²	46	74.3 Å²	74.3	32%	0.322	37%	0.373	S	S	.	.			trans	-148.2	136.7	-178.7	175.7	0	0	0	0	109.6	Q112	Q112-S115 PolarHBondContact NE2-O 3.12Å; Q112-S115 PolarHBondContact OE1-O 3.35Å
116	F	83.4	Confident	93.4	Very high	151 Å²	151	71.5 Å²	71.5	66%	0.662	37%	0.365	S	S	*	.			trans	-97.9	149.2	174.1	-57.6	-78.1	0	0	0	109.4
117	P	69.9	Low	93	Very high	160 Å²	160	75.5 Å²	75.5	100%	1.039	38%	0.377	S	S	*	.			trans	-55.3	0	173	-22.1	32.8	0	0	0	113.6	A23	A23-P117 HydrophobicContact CB-CG 4.43Å

Retrieved 117 of 117 residues in 50.8 ms (Link to these results)

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