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Immunoglobulin lambda variable 5-45

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 A0A087WSX0, Species HUMAN (Homo sapiens, Human), Gene IGLV5-45, Length 123 aa.

						>LV545_HUMAN|A0A087WSX0|IGLV5-45
MAWTPLLLLFLSHCTGSLSQAVLTQPSSLSASPGASASLTCTLCSGINVGTYRIYWYQQKPGSPPQYLLRYKSDSDKQQGSGVPSRFSGSKDASANAGILLISGLQSEDEADYYCMIWHSSAS
					

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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	52.2	Low	56.9	Low	250 Å²	250	161 Å²	161	100%	1.232	84%	0.837	S	S	*	*				0	103.6	0	-58.8	-179	-150.4	0	0	106.7
2	A	50.5	Low	57.6	Low	100 Å²	100	157 Å²	157	83%	0.826	83%	0.833	S	S	*	*			trans	-122.9	112.4	178.2	0	0	0	0	0	107.1
3	W	50	Low	58	Low	262 Å²	262	155.5 Å²	155.5	99%	0.992	82%	0.818	S	S	*	*			trans	-88.9	110.4	173.2	-113.6	6.6	0	0	0	107.4	P5	W3-P5 WeakPolarHBondContact O-CD 3.26Å
4	T	59.9	Low	58.2	Low	134 Å²	134	149.4 Å²	149.4	82%	0.822	79%	0.793	S	S	*	*			trans	-80.4	119.2	167.9	-0.5	0	0	0	0	108.1	L6	T4-L6 PolarHBondContact O-N 3.39Å
5	P	54.6	Low	58.4	Low	109 Å²	109	148.2 Å²	148.2	71%	0.708	79%	0.794	S	S	*	*			trans	-71	120.3	173.3	19.1	-14.5	0	0	0	108.8	W3 L7	W3-P5 WeakPolarHBondContact O-CD 3.26Å; P5-L7 PolarHBondContact O-N 2.98Å
6	L	59.1	Low	58.1	Low	156 Å²	156	143.1 Å²	143.1	82%	0.817	79%	0.787	S	S	*	*			trans	-70.2	98.2	173.7	-154.6	88.9	0	0	0	108.3	T4 L8	T4-L6 PolarHBondContact O-N 3.39Å; L6-L8 HydrophobicContact CD2-CG 4.48Å; L6-L8 PolarHBondContact O-N 2.99Å
7	L	60.5	Low	57.9	Low	155 Å²	155	140.4 Å²	140.4	81%	0.812	78%	0.781	S	S	*	*			trans	-74.9	99.7	170.7	-102.3	140.7	0	0	0	108.8	P5 L9	P5-L7 PolarHBondContact O-N 2.98Å; L7-L9 PolarHBondContact O-N 3Å
8	L	59.3	Low	57.9	Low	137 Å²	137	142.7 Å²	142.7	72%	0.717	79%	0.791	S	S	*	*			trans	-72.9	100.8	168.7	-84.3	151.4	0	0	0	109.1	L6 F10	L6-L8 HydrophobicContact CD2-CG 4.48Å; L6-L8 PolarHBondContact O-N 2.99Å; L8-F10 PolarHBondContact O-N 3.29Å
9	L	62.8	Low	58.1	Low	147 Å²	147	140.6 Å²	140.6	77%	0.77	79%	0.787	S	S	*	*			trans	-71.3	107.2	162.9	-85.9	143.2	0	0	0	108.1	L7 L11	L7-L9 PolarHBondContact O-N 3Å; L9-L11 VanDerWaalsContact C-N 3.29Å; L9-L11 HydrophobicContact CB-CD1 4.29Å; L9-L11 PolarHBondContact O-N 3.13Å
10	F	57.9	Low	58.6	Low	201 Å²	201	141.2 Å²	141.2	88%	0.882	78%	0.783	S	S	*	*			trans	-68.8	90.2	166.9	-100.5	-90.1	0	0	0	108.5	L8 S12	L8-F10 PolarHBondContact O-N 3.29Å; F10-S12 PolarHBondContact O-N 2.84Å
11	L	58.9	Low	59.6	Low	120 Å²	120	135.9 Å²	135.9	63%	0.628	76%	0.757	S	S	*	*			trans	-66	113.2	163.3	-83.6	95.4	0	0	0	107.7	L9 H13	L9-L11 VanDerWaalsContact C-N 3.29Å; L9-L11 HydrophobicContact CB-CD1 4.29Å; L9-L11 PolarHBondContact O-N 3.13Å; L11-H13 VanDerWaalsContact C-N 3.35Å; L11-H13 WeakPolarHBondContact CB-CE1 3.45Å; L11-H13 PolarHBondContact O-CE1 2.94Å; L11-H13 PolarHBondContact O-N 2.92Å; L11-H13 PolarHBondContact O-ND1 3.43Å
12	S	65.5	Low	61.3	Low	113 Å²	113	127.3 Å²	127.3	79%	0.79	72%	0.719	S	S	*	*			trans	-68.3	95.8	166.2	-174.4	0	0	0	0	107.9	F10	F10-S12 PolarHBondContact O-N 2.84Å
13	H	62.7	Low	63.3	Low	137 Å²	137	125 Å²	125	63%	0.634	69%	0.692	S	S	*	*			trans	-80.5	119.5	176.8	-64.2	79.7	0	0	0	108.1	L11 T15	L11-H13 VanDerWaalsContact C-N 3.35Å; L11-H13 WeakPolarHBondContact CB-CE1 3.45Å; L11-H13 PolarHBondContact O-CE1 2.94Å; L11-H13 PolarHBondContact O-N 2.92Å; L11-H13 PolarHBondContact O-ND1 3.43Å; H13-T15 PolarHBondContact O-N 3.42Å; H13-T15 PolarHBondContact O-OG1 3.41Å
14	C	61.4	Low	65.5	Low	70 Å²	70	114.9 Å²	114.9	47%	0.473	66%	0.659	S	S	.	*			trans	-67	85.1	162.5	-64.7	0	0	0	0	107.3	G16 C44	C14-G16 PolarHBondContact O-N 3.31Å; C14-C44 HydrophobicContact CB-CB 3.82Å; C14-C44 WeakPolarHBondContact CB-SG 3.23Å; C14-C44 WeakPolarHBondContact SG-CB 3.46Å; C14-C44 CovalentContact SG-SG 2.07Å; C14-C44 PolarHBondContact SG-SG 3Å
15	T	60.6	Low	67.2	Low	132 Å²	132	111.5 Å²	111.5	81%	0.81	63%	0.634	S	S	*	*			trans	-67.8	101.2	174.3	-33.2	0	0	0	0	107.9	H13 S17	H13-T15 PolarHBondContact O-N 3.42Å; H13-T15 PolarHBondContact O-OG1 3.41Å; T15-S17 PolarHBondContact O-N 3.26Å
16	G	53.8	Low	69.2	Low	66 Å²	66	109.6 Å²	109.6	68%	0.68	62%	0.622	S	S	*	*			trans	-68.4	111.9	-174	0	0	0	0	0	112.5	C14	C14-G16 PolarHBondContact O-N 3.31Å
17	S	55	Low	70.9	Confident	97 Å²	97	108.3 Å²	108.3	68%	0.678	63%	0.626	S	S	*	*			trans	-91	139.5	153.9	-176.2	0	0	0	0	108.6	T15 S19	T15-S17 PolarHBondContact O-N 3.26Å; S17-S19 VanDerWaalsContact C-N 3.26Å; S17-S19 PolarHBondContact O-N 3.25Å
18	L	56.7	Low	72.6	Confident	183 Å²	183	105.7 Å²	105.7	96%	0.958	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	22.1	-163.6	-121.3	107.4	0	0	0	116.1
19	S	61.9	Low	74.4	Confident	103 Å²	103	103.4 Å²	103.4	72%	0.72	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.3	18.4	-169.2	89	0	0	0	0	120.6	S17	S17-S19 VanDerWaalsContact C-N 3.26Å; S17-S19 PolarHBondContact O-N 3.25Å
20	Q	68.8	Low	76	Confident	152 Å²	152	102.2 Å²	102.2	71%	0.71	61%	0.613	S	S	*	*			trans	-158.6	143.1	167	-154.3	167.6	-36.7	0	0	112.4	V22 S45	Q20-V22 PolarHBondContact O-N 3.3Å; Q20-S45 WeakPolarHBondContact O-CB 3.07Å; Q20-S45 PolarHBondContact O-OG 3.04Å
21	A	79	Confident	77.8	Confident	29 Å²	29	94.8 Å²	94.8	24%	0.24	59%	0.589	C	S	.	*			trans	-61.4	121.3	164.3	0	0	0	0	0	109.1	S45 I47 I117	A21-S45 WeakPolarHBondContact CA-OG 3.47Å; A21-I47 HydrophobicContact CB-CD1 3.58Å; A21-I47 HydrophobicContact CB-CG2 4.42Å; A21-I117 HydrophobicContact CB-CD1 4.32Å
22	V	88.2	Confident	79.6	Confident	70 Å²	70	93.2 Å²	93.2	42%	0.424	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.4	130.6	-179.5	176.7	0	0	0	0	109.3	Q20 T24 C44 S45	Q20-V22 PolarHBondContact O-N 3.3Å; V22-T24 HydrophobicContact CG1-CG2 4.24Å; V22-C44 HydrophobicContact CB-CB 4.11Å; V22-C44 HydrophobicContact CG1-CB 4.46Å; V22-C44 PolarHBondContact O-N 2.68Å; V22-S45 PolarHBondContact N-OG 2.96Å
23	L	93.3	Very high	81.1	Confident	51 Å²	51	93.6 Å²	93.6	27%	0.267	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100	137.9	171.2	-57.1	-178	0	0	0	109.3	T42 L43 I117	L23-T42 CarbonylContact C-O 3.54Å; L23-T42 WeakPolarHBondContact CA-O 3.35Å; L23-L43 HydrophobicContact CD2-CB 4.39Å; L23-L43 HydrophobicContact CD2-CD1 3.73Å; L23-L43 HydrophobicContact CD2-CG 3.54Å; L23-I117 HydrophobicContact CD1-CG1 4.2Å; L23-I117 HydrophobicContact CD1-CG2 4.31Å; L23-I117 HydrophobicContact CD2-CD1 3.99Å; L23-I117 HydrophobicContact CD2-CG1 4.11Å; L23-I117 HydrophobicContact CD2-CG2 4.12Å; L23-I117 HydrophobicContact CG-CG1 4.43Å
24	T	94.8	Very high	82.8	Confident	50 Å²	50	89.8 Å²	89.8	31%	0.307	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.9	136.9	173.2	59.5	0	0	0	0	110.4	V22 C41 T42	V22-T24 HydrophobicContact CG1-CG2 4.24Å; T24-C41 CarbonylContact O-C 3.58Å; T24-C41 WeakPolarHBondContact O-CA 3.42Å; T24-T42 PolarHBondContact N-O 2.91Å; T24-T42 PolarHBondContact O-N 3.23Å; T24-T42 WeakPolarHBondContact OG1-CB 3.43Å
25	Q	96.9	Very high	84.5	Confident	63 Å²	63	88.2 Å²	88.2	29%	0.294	58%	0.577	S	S	.	*			trans	-126.9	151.4	175.7	-67.4	-178.1	-112.7	0	0	108.9	C41 Y113 C115	Q25-C41 HydrophobicContact CG-CB 4.35Å; Q25-Y113 PolarHBondContact NE2-O 3.47Å; Q25-C115 VanDerWaalsContact CD-SG 3.57Å; Q25-C115 PolarHBondContact OE1-SG 2.85Å; Q25-C115 VanDerWaalsContact OE1-SG 3.33Å
26	P	95.9	Very high	86.3	Confident	69 Å²	69	85.6 Å²	85.6	45%	0.448	56%	0.564	S	S	.	*			trans	-55.2	140.6	166.1	-21.8	32.8	0	0	0	110.5	S28 T40	P26-S28 VanDerWaalsContact C-N 3.25Å; P26-S28 PolarHBondContact O-N 3.11Å; P26-T40 VanDerWaalsContact CD-O 3.3Å; P26-T40 WeakPolarHBondContact CD-O 3.5Å; P26-T40 WeakPolarHBondContact CD-OG1 3.47Å; P26-T40 WeakPolarHBondContact CG-OG1 3.15Å
27	S	95.8	Very high	88.4	Confident	130 Å²	130	82.7 Å²	82.7	91%	0.909	53%	0.534	S	S	*	.	S	Bend	trans	-69.9	-23.2	-179.7	52.8	0	0	0	0	113.3
28	S	96.2	Very high	90.5	Very high	99 Å²	99	80.8 Å²	80.8	69%	0.692	52%	0.521	S	S	*	.			trans	-157	157.8	174.4	61.6	0	0	0	0	111	P26	P26-S28 VanDerWaalsContact C-N 3.25Å; P26-S28 PolarHBondContact O-N 3.11Å
29	L	96.4	Very high	92.4	Very high	90 Å²	90	73.2 Å²	73.2	47%	0.471	48%	0.481	S	S	.	.			trans	-140.5	137.2	171.2	-174.6	87.5	0	0	0	107.3	A37 L39	L29-A37 HydrophobicContact CD2-CB 3.38Å; L29-L39 HydrophobicContact CD2-CD1 4.48Å; L29-L39 HydrophobicContact CD2-CG 4.25Å
30	S	96.1	Very high	94.1	Very high	122 Å²	122	70.6 Å²	70.6	85%	0.853	46%	0.461	S	S	*	.			trans	-129.6	139.7	171.7	-170.8	0	0	0	0	109.8
31	A	96.3	Very high	95.5	Very high	45 Å²	45	63.4 Å²	63.4	37%	0.372	43%	0.427	S	S	.	.			trans	-153.9	154.1	177.7	0	0	0	0	0	109.3	A35 L105	A31-A35 HydrophobicContact CB-CB 4.43Å; A31-L105 HydrophobicContact CB-CD1 3.45Å; A31-L105 VanDerWaalsContact CB-CD1 3.45Å
32	S	97	Very high	96.3	Very high	86 Å²	86	63.9 Å²	63.9	60%	0.601	43%	0.427	S	S	*	.			trans	-71.9	150.7	-179.4	-54.5	0	0	0	0	111.9	G34 A35	S32-G34 PolarHBondContact O-N 2.99Å; S32-A35 WeakPolarHBondContact O-CB 3.13Å; S32-A35 PolarHBondContact O-N 2.81Å
33	P	97	Very high	96.6	Very high	121 Å²	121	60.7 Å²	60.7	79%	0.786	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	137.3	170.6	-26.7	35.1	0	0	0	111.8	A35	P33-A35 PolarHBondContact O-N 2.83Å
34	G	97.9	Very high	96.3	Very high	57 Å²	57	58.9 Å²	58.9	59%	0.588	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-14.3	-175.5	0	0	0	0	0	115.3	S32 G104 L105	S32-G34 PolarHBondContact O-N 2.99Å; G34-G104 WeakPolarHBondContact O-CA 3.43Å; G34-L105 PolarHBondContact N-O 2.87Å
35	A	98.1	Very high	95.4	Very high	38 Å²	38	58.3 Å²	58.3	31%	0.314	40%	0.397	S	S	.	.	S	Bend	trans	-72.6	172.4	172.6	0	0	0	0	0	111.4	A31 S32 P33 G104 L105	A31-A35 HydrophobicContact CB-CB 4.43Å; S32-A35 WeakPolarHBondContact O-CB 3.13Å; S32-A35 PolarHBondContact O-N 2.81Å; P33-A35 PolarHBondContact O-N 2.83Å; A35-G104 PolarHBondContact O-N 2.8Å; A35-G104 VanDerWaalsContact O-N 3.13Å; A35-L105 WeakPolarHBondContact O-CG 3.43Å; A35-L105 PolarHBondContact O-N 3.37Å
36	S	97.9	Very high	94.3	Very high	76 Å²	76	60 Å²	60	53%	0.531	43%	0.432	S	S	.	.			trans	-97.9	135.5	170.3	-60.7	0	0	0	0	110.7	I102	S36-I102 CarbonylContact C-O 3.57Å; S36-I102 VanDerWaalsContact CA-O 3.25Å; S36-I102 WeakPolarHBondContact CA-O 3.26Å
37	A	97.8	Very high	93.8	Very high	6 Å²	6	58 Å²	58	5%	0.05	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.6	170.6	0	0	0	0	0	110.4	L29 L101 I102 L105	L29-A37 HydrophobicContact CD2-CB 3.38Å; A37-L101 WeakPolarHBondContact O-CA 3.42Å; A37-I102 HydrophobicContact CB-CB 4.45Å; A37-I102 PolarHBondContact N-O 2.77Å; A37-I102 PolarHBondContact O-N 2.85Å; A37-L105 HydrophobicContact CB-CD1 3.77Å; A37-L105 HydrophobicContact CB-CD2 4Å; A37-L105 HydrophobicContact CB-CG 4.13Å
38	S	97.7	Very high	93.6	Very high	57 Å²	57	56.1 Å²	56.1	40%	0.399	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	111.6	174.6	-174.7	0	0	0	0	109	I99 L100	S38-I99 VanDerWaalsContact OG-CG2 3.28Å; S38-I99 WeakPolarHBondContact OG-CG2 2.95Å; S38-L100 WeakPolarHBondContact CA-O 3.49Å
39	L	98.1	Very high	93.5	Very high	23 Å²	23	51.5 Å²	51.5	12%	0.12	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.9	173.2	-62.7	102.2	0	0	0	109.4	L29 W56 I99 L100 I102 Y113	L29-L39 HydrophobicContact CD2-CD1 4.48Å; L29-L39 HydrophobicContact CD2-CG 4.25Å; L39-W56 HydrophobicContact CB-CH2 4.07Å; L39-W56 HydrophobicContact CB-CZ3 4.11Å; L39-W56 WeakPolarHBondContact O-CH2 3.38Å; L39-I99 WeakPolarHBondContact O-CA 2.95Å; L39-L100 HydrophobicContact CB-CB 4.38Å; L39-L100 HydrophobicContact CD1-CD2 4.24Å; L39-L100 PolarHBondContact N-O 3.06Å; L39-L100 PolarHBondContact O-N 2.95Å; L39-I102 HydrophobicContact CD1-CD1 3.83Å; L39-I102 HydrophobicContact CD1-CG1 4.36Å; L39-Y113 HydrophobicContact CD2-CD2 4.05Å; L39-Y113 HydrophobicContact CD2-CG 3.97Å
40	T	98	Very high	93.4	Very high	49 Å²	49	49 Å²	49	30%	0.301	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	142.9	178.1	54.8	0	0	0	0	110.8	P26 G98 I99	P26-T40 VanDerWaalsContact CD-O 3.3Å; P26-T40 WeakPolarHBondContact CD-O 3.5Å; P26-T40 WeakPolarHBondContact CD-OG1 3.47Å; P26-T40 WeakPolarHBondContact CG-OG1 3.15Å; T40-G98 CarbonylContact C-O 3.54Å; T40-G98 WeakPolarHBondContact CA-O 3.44Å; T40-I99 HydrophobicContact CG2-CG1 4.48Å
41	C	97.3	Very high	93.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	96.2	171.6	176.5	0	0	0	0	108.2	T24 Q25 W56 A97 G98 C115	T24-C41 CarbonylContact O-C 3.58Å; T24-C41 WeakPolarHBondContact O-CA 3.42Å; Q25-C41 HydrophobicContact CG-CB 4.35Å; C41-W56 HydrophobicContact CB-CH2 3.7Å; C41-W56 HydrophobicContact CB-CZ2 3.84Å; C41-A97 CarbonylContact O-C 3.56Å; C41-A97 VanDerWaalsContact O-CA 3.26Å; C41-A97 WeakPolarHBondContact O-CA 3.22Å; C41-G98 PolarHBondContact N-O 3.4Å; C41-G98 PolarHBondContact O-N 3.45Å; C41-C115 HydrophobicContact CB-CB 3.36Å; C41-C115 WeakPolarHBondContact CB-SG 3.19Å; C41-C115 WeakPolarHBondContact SG-CB 3.44Å; C41-C115 CovalentContact SG-SG 2.01Å; C41-C115 PolarHBondContact SG-SG 3.42Å
42	T	96.6	Very high	93	Very high	39 Å²	39	47.3 Å²	47.3	24%	0.239	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129	-178.2	-58.9	0	0	0	0	109.4	L23 T24 C44	L23-T42 CarbonylContact C-O 3.54Å; L23-T42 WeakPolarHBondContact CA-O 3.35Å; T24-T42 PolarHBondContact N-O 2.91Å; T24-T42 PolarHBondContact O-N 3.23Å; T24-T42 WeakPolarHBondContact OG1-CB 3.43Å; T42-C44 PolarHBondContact O-N 3.27Å
43	L	93.5	Very high	92.9	Very high	4 Å²	4	48 Å²	48	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	103	172.1	-78.6	66.8	0	0	0	107.3	L23 I47 V49 Y52 N96 I117	L23-L43 HydrophobicContact CD2-CB 4.39Å; L23-L43 HydrophobicContact CD2-CD1 3.73Å; L23-L43 HydrophobicContact CD2-CG 3.54Å; L43-I47 HydrophobicContact CB-CD1 3.91Å; L43-I47 HydrophobicContact CB-CG1 3.85Å; L43-I47 HydrophobicContact CD2-CD1 3.87Å; L43-I47 HydrophobicContact CD2-CG1 3.97Å; L43-I47 HydrophobicContact CG-CD1 4.02Å; L43-I47 HydrophobicContact CG-CG1 4.32Å; L43-V49 HydrophobicContact CD1-CB 4.48Å; L43-V49 HydrophobicContact CD1-CG2 4.03Å; L43-V49 HydrophobicContact CD2-CB 4.19Å; L43-V49 HydrophobicContact CD2-CG2 4.31Å; L43-Y52 HydrophobicContact CD2-CD2 4.14Å; L43-Y52 HydrophobicContact CD2-CG 4.47Å; L43-N96 PolarHBondContact N-O 3.19Å; L43-N96 PolarHBondContact O-ND2 3.18Å; L43-I117 HydrophobicContact CD2-CD1 4.15Å; L43-I117 HydrophobicContact CD2-CG2 4.37Å; L43-I117 HydrophobicContact CG-CD1 4.46Å
44	C	86.2	Confident	92.9	Very high	13 Å²	13	42.3 Å²	42.3	9%	0.088	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	166.1	165.5	-68.2	0	0	0	0	109.3	C14 V22 T42	C14-C44 HydrophobicContact CB-CB 3.82Å; C14-C44 WeakPolarHBondContact CB-SG 3.23Å; C14-C44 WeakPolarHBondContact SG-CB 3.46Å; C14-C44 CovalentContact SG-SG 2.07Å; C14-C44 PolarHBondContact SG-SG 3Å; V22-C44 HydrophobicContact CB-CB 4.11Å; V22-C44 HydrophobicContact CG1-CB 4.46Å; V22-C44 PolarHBondContact O-N 2.68Å; T42-C44 PolarHBondContact O-N 3.27Å
45	S	76.1	Confident	92.9	Very high	37 Å²	37	41.9 Å²	41.9	26%	0.259	27%	0.27	S	S	.	.	S	Bend	trans	61.7	99.2	170.6	58.5	0	0	0	0	117.3	Q20 A21 V22 I47	Q20-S45 WeakPolarHBondContact O-CB 3.07Å; Q20-S45 PolarHBondContact O-OG 3.04Å; A21-S45 WeakPolarHBondContact CA-OG 3.47Å; V22-S45 PolarHBondContact N-OG 2.96Å; S45-I47 WeakPolarHBondContact O-CG1 3.43Å; S45-I47 WeakPolarHBondContact O-CG2 3.43Å; S45-I47 PolarHBondContact O-N 3.04Å
46	G	74	Confident	92.9	Very high	100 Å²	100	40 Å²	40	100%	1.031	26%	0.255	S	S	*	.	S	Bend	trans	58.1	-3.2	156.2	0	0	0	0	0	118.7
47	I	86.3	Confident	92.9	Very high	25 Å²	25	39.4 Å²	39.4	13%	0.128	24%	0.241	C	C	.	.			trans	-110.6	143.8	-174.5	64.9	-172.8	0	0	0	109.5	A21 L43 S45 Y52 N96 I117	A21-I47 HydrophobicContact CB-CD1 3.58Å; A21-I47 HydrophobicContact CB-CG2 4.42Å; L43-I47 HydrophobicContact CB-CD1 3.91Å; L43-I47 HydrophobicContact CB-CG1 3.85Å; L43-I47 HydrophobicContact CD2-CD1 3.87Å; L43-I47 HydrophobicContact CD2-CG1 3.97Å; L43-I47 HydrophobicContact CG-CD1 4.02Å; L43-I47 HydrophobicContact CG-CG1 4.32Å; S45-I47 WeakPolarHBondContact O-CG1 3.43Å; S45-I47 WeakPolarHBondContact O-CG2 3.43Å; S45-I47 PolarHBondContact O-N 3.04Å; I47-Y52 HydrophobicContact CB-CE2 3.79Å; I47-Y52 HydrophobicContact CG2-CE2 4.16Å; I47-N96 PolarHBondContact O-ND2 3.25Å; I47-I117 HydrophobicContact CD1-CD1 3.74Å
48	N	91	Very high	93	Very high	92 Å²	92	40 Å²	40	49%	0.492	24%	0.243	S	C	.	.			trans	-103.3	124.4	-178.9	-175.9	-72.1	0	0	0	110.2	G50 T51 Y52	N48-G50 PolarHBondContact O-N 2.86Å; N48-G50 VanDerWaalsContact OD1-CA 3.25Å; N48-G50 WeakPolarHBondContact OD1-CA 3.25Å; N48-G50 PolarHBondContact OD1-N 2.64Å; N48-T51 HydrophobicContact CB-CG2 4.49Å; N48-T51 PolarHBondContact O-N 3.13Å; N48-T51 PolarHBondContact O-OG1 3.35Å; N48-Y52 WeakPolarHBondContact O-CD2 3.19Å
49	V	94.2	Very high	93	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.3	180	72.1	0	0	0	0	113.7	L43 T51 Y52 I54 K91 N96	L43-V49 HydrophobicContact CD1-CB 4.48Å; L43-V49 HydrophobicContact CD1-CG2 4.03Å; L43-V49 HydrophobicContact CD2-CB 4.19Å; L43-V49 HydrophobicContact CD2-CG2 4.31Å; V49-T51 VanDerWaalsContact C-N 3.29Å; V49-T51 PolarHBondContact O-N 2.89Å; V49-Y52 PolarHBondContact O-N 3.47Å; V49-I54 HydrophobicContact CG2-CD1 3.52Å; V49-K91 HydrophobicContact CG2-CD 4.08Å; V49-K91 HydrophobicContact CG2-CG 4.06Å; V49-K91 WeakPolarHBondContact O-CE 3.43Å; V49-K91 PolarHBondContact O-NZ 3.44Å; V49-N96 WeakPolarHBondContact CB-OD1 3.11Å; V49-N96 PolarHBondContact N-OD1 2.8Å
50	G	93.4	Very high	92.9	Very high	39 Å²	39	41.9 Å²	41.9	40%	0.402	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-32.3	176.9	0	0	0	0	0	113.8	N48 K91	N48-G50 PolarHBondContact O-N 2.86Å; N48-G50 VanDerWaalsContact OD1-CA 3.25Å; N48-G50 WeakPolarHBondContact OD1-CA 3.25Å; N48-G50 PolarHBondContact OD1-N 2.64Å; G50-K91 PolarHBondContact O-NZ 3.39Å
51	T	91.2	Very high	92.8	Very high	92 Å²	92	45.2 Å²	45.2	56%	0.564	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-25.6	-176.8	63.7	0	0	0	0	113.1	N48 V49	N48-T51 HydrophobicContact CB-CG2 4.49Å; N48-T51 PolarHBondContact O-N 3.13Å; N48-T51 PolarHBondContact O-OG1 3.35Å; V49-T51 VanDerWaalsContact C-N 3.29Å; V49-T51 PolarHBondContact O-N 2.89Å
52	Y	92.8	Very high	92.8	Very high	39 Å²	39	49.8 Å²	49.8	15%	0.153	31%	0.313	C	S	.	.	S	Bend	trans	-91.9	148.9	-174.5	-70.4	-85.2	0	0	0	113.5	L43 I47 N48 V49 K91 I117 W118 H119	L43-Y52 HydrophobicContact CD2-CD2 4.14Å; L43-Y52 HydrophobicContact CD2-CG 4.47Å; I47-Y52 HydrophobicContact CB-CE2 3.79Å; I47-Y52 HydrophobicContact CG2-CE2 4.16Å; N48-Y52 WeakPolarHBondContact O-CD2 3.19Å; V49-Y52 PolarHBondContact O-N 3.47Å; Y52-K91 WeakPolarHBondContact O-CE 3.32Å; Y52-K91 PolarHBondContact O-NZ 2.91Å; Y52-I117 HydrophobicContact CD1-CB 4.12Å; Y52-I117 HydrophobicContact CD1-CD1 4.05Å; Y52-I117 HydrophobicContact CD1-CG1 4.48Å; Y52-I117 HydrophobicContact CE1-CD1 4.26Å; Y52-I117 HydrophobicContact CG-CB 4.44Å; Y52-I117 HydrophobicContact CG-CD1 4.26Å; Y52-W118 WeakPolarHBondContact CD1-O 3.33Å; Y52-W118 VanDerWaalsContact CE1-O 3.32Å; Y52-W118 WeakPolarHBondContact CE1-O 3.22Å; Y52-H119 PolarHBondContact OH-CD2 2.61Å
53	R	95.6	Very high	92.8	Very high	101 Å²	101	50 Å²	50	38%	0.381	32%	0.317	S	S	.	.			trans	-84.1	134.3	159.4	-82.7	154.7	-177.2	133.2	-1.6	108.1	Y55 R70 K72 D76	R53-Y55 HydrophobicContact CB-CD2 4.39Å; R53-Y55 HydrophobicContact CB-CE2 3.6Å; R53-R70 HydrophobicContact CB-CG 3.89Å; R53-R70 HydrophobicContact CG-CG 4.15Å; R53-K72 HydrophobicContact CG-CB 3.7Å; R53-K72 HydrophobicContact CG-CD 4.17Å; R53-K72 HydrophobicContact CG-CG 4.14Å; R53-D76 IonicContact CZ-OD2 3.22Å; R53-D76 VanDerWaalsContact CZ-OD2 3.22Å; R53-D76 IonicContact NE-OD1 3.88Å; R53-D76 IonicContact NE-OD2 3Å; R53-D76 PolarHBondContact NE-OD2 3.39Å; R53-D76 IonicContact NH2-OD1 3.72Å; R53-D76 IonicContact NH2-OD2 2.68Å; R53-D76 PolarHBondContact NH2-OD2 2.99Å
54	I	96.8	Very high	93	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.3	177	-52	176.3	0	0	0	107.4	V49 R70 Y71 K91 C115 I117	V49-I54 HydrophobicContact CG2-CD1 3.52Å; I54-R70 CarbonylContact O-C 3.59Å; I54-R70 VanDerWaalsContact O-CA 3.24Å; I54-R70 WeakPolarHBondContact O-CA 3.34Å; I54-Y71 PolarHBondContact N-O 2.88Å; I54-Y71 PolarHBondContact O-N 2.89Å; I54-K91 HydrophobicContact CD1-CG 4.04Å; I54-C115 HydrophobicContact CG2-CB 4.34Å; I54-I117 HydrophobicContact CG1-CG2 4.36Å
55	Y	98.1	Very high	93.5	Very high	47 Å²	47	57 Å²	57	18%	0.184	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	138.5	178.8	-60.4	-106.3	0	0	0	107.8	R53 Y67 L69 R70 C115 M116 W118	R53-Y55 HydrophobicContact CB-CD2 4.39Å; R53-Y55 HydrophobicContact CB-CE2 3.6Å; Y55-Y67 AromaticContact CD1-CE2 3.85Å; Y55-Y67 HydrophobicContact CD1-CE2 3.85Å; Y55-L69 WeakPolarHBondContact CA-O 3.47Å; Y55-R70 HydrophobicContact CD1-CB 3.77Å; Y55-R70 HydrophobicContact CD1-CG 3.77Å; Y55-R70 HydrophobicContact CD2-CG 4.21Å; Y55-R70 HydrophobicContact CE1-CB 3.88Å; Y55-R70 HydrophobicContact CE1-CG 3.53Å; Y55-R70 HydrophobicContact CE2-CG 4Å; Y55-R70 HydrophobicContact CG-CB 4.28Å; Y55-R70 HydrophobicContact CG-CG 4.09Å; Y55-C115 CarbonylContact O-C 3.57Å; Y55-C115 VanDerWaalsContact O-CA 3.27Å; Y55-C115 WeakPolarHBondContact O-CA 3.5Å; Y55-M116 PolarHBondContact N-O 3.33Å; Y55-M116 PolarHBondContact O-N 3.01Å; Y55-W118 AromaticContact CE2-CD1 3.46Å; Y55-W118 VanDerWaalsContact CE2-CD1 3.46Å; Y55-W118 AromaticContact CZ-CD1 3.77Å
56	W	98.6	Very high	94.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.4	177.8	-72.1	100	0	0	0	110	L39 C41 L68 L69 L100 Y114 C115	L39-W56 HydrophobicContact CB-CH2 4.07Å; L39-W56 HydrophobicContact CB-CZ3 4.11Å; L39-W56 WeakPolarHBondContact O-CH2 3.38Å; C41-W56 HydrophobicContact CB-CH2 3.7Å; C41-W56 HydrophobicContact CB-CZ2 3.84Å; W56-L68 HydrophobicContact CB-CB 4.31Å; W56-L68 WeakPolarHBondContact O-CB 3.29Å; W56-L68 PolarHBondContact O-N 3.4Å; W56-L69 HydrophobicContact CB-CD1 4.48Å; W56-L69 HydrophobicContact CB-CG 4.36Å; W56-L69 HydrophobicContact CG-CD1 4.4Å; W56-L69 PolarHBondContact N-O 2.89Å; W56-L100 HydrophobicContact CB-CD1 4.31Å; W56-L100 HydrophobicContact CB-CD2 4.24Å; W56-L100 HydrophobicContact CD2-CB 3.55Å; W56-L100 HydrophobicContact CD2-CD1 4.47Å; W56-L100 HydrophobicContact CD2-CD2 3.99Å; W56-L100 HydrophobicContact CD2-CG 4.22Å; W56-L100 VanDerWaalsContact CE2-CB 3.48Å; W56-L100 HydrophobicContact CE3-CB 3.82Å; W56-L100 HydrophobicContact CE3-CD2 3.82Å; W56-L100 HydrophobicContact CE3-CG 4.42Å; W56-L100 HydrophobicContact CG-CB 4.04Å; W56-L100 HydrophobicContact CG-CD1 4.1Å; W56-L100 HydrophobicContact CG-CD2 4.18Å; W56-L100 HydrophobicContact CG-CG 4.35Å; W56-L100 HydrophobicContact CH2-CB 3.94Å; W56-L100 HydrophobicContact CZ2-CB 3.69Å; W56-L100 HydrophobicContact CZ3-CB 4Å; W56-L100 HydrophobicContact CZ3-CD2 4.42Å; W56-Y114 WeakPolarHBondContact CA-O 3.45Å; W56-C115 HydrophobicContact CD2-CB 4.29Å; W56-C115 HydrophobicContact CE3-CB 4Å; W56-C115 HydrophobicContact CH2-CB 4.05Å; W56-C115 HydrophobicContact CZ2-CB 4.3Å; W56-C115 HydrophobicContact CZ3-CB 3.88Å
57	Y	98.3	Very high	95.7	Very high	63 Å²	63	58.6 Å²	58.6	25%	0.247	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.1	178.3	-65.6	-98.2	0	0	0	110	P65 Q66 Y67 Y113 Y114 M116	Y57-P65 HydrophobicContact CD1-CB 4.45Å; Y57-Q66 CarbonylContact C-O 3.1Å; Y57-Q66 WeakPolarHBondContact CA-O 3.26Å; Y57-Y67 HydrophobicContact CE1-CD2 4.09Å; Y57-Y67 HydrophobicContact CE1-CG 4.43Å; Y57-Y67 HydrophobicContact CE2-CD2 4.49Å; Y57-Y67 AromaticContact CZ-CD2 3.99Å; Y57-Y113 WeakPolarHBondContact O-CA 3.27Å; Y57-Y114 PolarHBondContact N-O 2.99Å; Y57-Y114 PolarHBondContact O-N 3.08Å; Y57-M116 HydrophobicContact CE2-CB 4.21Å; Y57-M116 HydrophobicContact CE2-SD 4.42Å
58	Q	98.2	Very high	96.3	Very high	17 Å²	17	57.7 Å²	57.7	8%	0.079	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.7	172.4	-173.9	-172.7	52.1	0	0	109.2	Q66 L68 A111 D112 Y113	Q58-Q66 PolarHBondContact N-O 2.84Å; Q58-Q66 PolarHBondContact O-N 2.96Å; Q58-L68 HydrophobicContact CB-CD1 3.89Å; Q58-L68 HydrophobicContact CB-CD2 3.9Å; Q58-L68 HydrophobicContact CB-CG 3.87Å; Q58-A111 HydrophobicContact CG-CB 3.44Å; Q58-A111 VanDerWaalsContact CG-CB 3.44Å; Q58-D112 CarbonylContact C-O 3.55Å; Q58-Y113 HydrophobicContact CB-CD1 4.33Å; Q58-Y113 HydrophobicContact CB-CE1 4.05Å; Q58-Y113 HydrophobicContact CG-CD1 4.42Å; Q58-Y113 HydrophobicContact CG-CE1 3.86Å; Q58-Y113 PolarHBondContact NE2-OH 2.92Å
59	Q	98.1	Very high	96.6	Very high	52 Å²	52	53.4 Å²	53.4	24%	0.243	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	112.5	173.1	-173	175.5	13.2	0	0	110.1	S63 P65 A111 D112 Y114	Q59-S63 VanDerWaalsContact CG-O 3.25Å; Q59-S63 WeakPolarHBondContact CG-O 3.34Å; Q59-S63 PolarHBondContact NE2-O 3.47Å; Q59-P65 HydrophobicContact CB-CB 4.44Å; Q59-P65 HydrophobicContact CB-CG 4.29Å; Q59-P65 HydrophobicContact CG-CG 4.29Å; Q59-A111 WeakPolarHBondContact O-CB 3.33Å; Q59-D112 HydrophobicContact CB-CB 4.33Å; Q59-D112 PolarHBondContact N-O 2.61Å; Q59-D112 PolarHBondContact O-N 3.44Å; Q59-Y114 HydrophobicContact CB-CD2 4.38Å; Q59-Y114 HydrophobicContact CB-CE2 3.77Å; Q59-Y114 VanDerWaalsContact OE1-CE2 3.28Å; Q59-Y114 PolarHBondContact OE1-OH 2.9Å
60	K	97.1	Very high	96.8	Very high	68 Å²	68	54.7 Å²	54.7	30%	0.296	31%	0.313	S	S	.	.			trans	-81.9	153.2	171.7	-64.1	-174.4	179.2	-168.7	0	110.2	G62 S63 E108 A111	K60-G62 PolarHBondContact O-N 3.02Å; K60-S63 WeakPolarHBondContact O-CB 3.44Å; K60-S63 PolarHBondContact O-N 2.73Å; K60-E108 WeakPolarHBondContact CE-O 3.3Å; K60-E108 PolarHBondContact NZ-O 2.79Å; K60-A111 HydrophobicContact CG-CB 4.26Å
61	P	96.4	Very high	97.1	Very high	120 Å²	120	54.1 Å²	54.1	78%	0.779	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	127.7	176.6	-28.5	35.6	0	0	0	112.2	S63	P61-S63 VanDerWaalsContact C-N 3.25Å; P61-S63 PolarHBondContact O-N 2.85Å
62	G	96.9	Very high	97.3	Very high	95 Å²	95	53.3 Å²	53.3	98%	0.979	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	4.3	179.4	0	0	0	0	0	116	K60	K60-G62 PolarHBondContact O-N 3.02Å
63	S	96.8	Very high	97.5	Very high	45 Å²	45	53.3 Å²	53.3	32%	0.315	29%	0.293	S	S	.	.	S	Bend	trans	-111.8	155.7	178.1	-61.1	0	0	0	0	111.6	Q59 K60 P61	Q59-S63 VanDerWaalsContact CG-O 3.25Å; Q59-S63 WeakPolarHBondContact CG-O 3.34Å; Q59-S63 PolarHBondContact NE2-O 3.47Å; K60-S63 WeakPolarHBondContact O-CB 3.44Å; K60-S63 PolarHBondContact O-N 2.73Å; P61-S63 VanDerWaalsContact C-N 3.25Å; P61-S63 PolarHBondContact O-N 2.85Å
64	P	97	Very high	97.6	Very high	97 Å²	97	53.9 Å²	53.9	63%	0.63	30%	0.304	S	S	*	.			trans	-69.5	157.9	168.4	30.4	-34.9	0	0	0	111.1	Q66	P64-Q66 PolarHBondContact O-N 2.88Å
65	P	97.2	Very high	97.6	Very high	66 Å²	66	59.3 Å²	59.3	43%	0.429	34%	0.342	S	S	.	.			trans	-57.7	130.9	171.7	-24	33.8	0	0	0	112.2	Y57 Q59	Y57-P65 HydrophobicContact CD1-CB 4.45Å; Q59-P65 HydrophobicContact CB-CB 4.44Å; Q59-P65 HydrophobicContact CB-CG 4.29Å; Q59-P65 HydrophobicContact CG-CG 4.29Å
66	Q	97.6	Very high	97.5	Very high	103 Å²	103	58.8 Å²	58.8	48%	0.481	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.3	178.1	-67.6	-179.1	72.9	0	0	110.2	Y57 Q58 P64 L68	Y57-Q66 CarbonylContact C-O 3.1Å; Y57-Q66 WeakPolarHBondContact CA-O 3.26Å; Q58-Q66 PolarHBondContact N-O 2.84Å; Q58-Q66 PolarHBondContact O-N 2.96Å; P64-Q66 PolarHBondContact O-N 2.88Å; Q66-L68 PolarHBondContact O-N 3.02Å
67	Y	98.2	Very high	97.5	Very high	67 Å²	67	64.4 Å²	64.4	26%	0.263	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	125.1	178.4	172.9	-108.1	0	0	0	111	Y55 Y57 L69 R70 Q78	Y55-Y67 AromaticContact CD1-CE2 3.85Å; Y55-Y67 HydrophobicContact CD1-CE2 3.85Å; Y57-Y67 HydrophobicContact CE1-CD2 4.09Å; Y57-Y67 HydrophobicContact CE1-CG 4.43Å; Y57-Y67 HydrophobicContact CE2-CD2 4.49Å; Y57-Y67 AromaticContact CZ-CD2 3.99Å; Y67-L69 VanDerWaalsContact CE2-C 3.43Å; Y67-L69 VanDerWaalsContact CE2-O 3.29Å; Y67-L69 WeakPolarHBondContact CE2-O 3.07Å; Y67-L69 VanDerWaalsContact CZ-C 3.47Å; Y67-R70 HydrophobicContact CE2-CB 4.19Å; Y67-R70 WeakPolarHBondContact OH-CB 3.24Å; Y67-R70 PolarHBondContact OH-N 2.94Å; Y67-Q78 PolarHBondContact OH-O 3.49Å
68	L	98.4	Very high	97.4	Very high	6 Å²	6	66.6 Å²	66.6	3%	0.031	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-60.5	176.4	-70	179.5	0	0	0	112.1	W56 Q58 Q66 G80 V83 F87 L100 Y113	W56-L68 HydrophobicContact CB-CB 4.31Å; W56-L68 WeakPolarHBondContact O-CB 3.29Å; W56-L68 PolarHBondContact O-N 3.4Å; Q58-L68 HydrophobicContact CB-CD1 3.89Å; Q58-L68 HydrophobicContact CB-CD2 3.9Å; Q58-L68 HydrophobicContact CB-CG 3.87Å; Q66-L68 PolarHBondContact O-N 3.02Å; L68-G80 WeakPolarHBondContact O-CA 3.39Å; L68-G80 PolarHBondContact O-N 2.9Å; L68-V83 HydrophobicContact CB-CG1 4.43Å; L68-V83 HydrophobicContact CD2-CG1 3.89Å; L68-V83 HydrophobicContact CD2-CG2 4.12Å; L68-V83 WeakPolarHBondContact O-CG2 3.4Å; L68-F87 HydrophobicContact CD1-CD1 3.88Å; L68-F87 HydrophobicContact CD1-CE1 3.94Å; L68-F87 HydrophobicContact CD2-CD1 4.46Å; L68-F87 HydrophobicContact CD2-CE1 4.39Å; L68-L100 HydrophobicContact CD1-CD2 3.93Å; L68-Y113 HydrophobicContact CD1-CD1 3.98Å; L68-Y113 HydrophobicContact CD1-CE1 3.81Å
69	L	98.6	Very high	97.4	Very high	2 Å²	2	69.3 Å²	69.3	1%	0.01	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	166.4	-174.2	64.7	85.9	0	0	0	111.6	Y55 W56 Y67 Q78 F87 L100	Y55-L69 WeakPolarHBondContact CA-O 3.47Å; W56-L69 HydrophobicContact CB-CD1 4.48Å; W56-L69 HydrophobicContact CB-CG 4.36Å; W56-L69 HydrophobicContact CG-CD1 4.4Å; W56-L69 PolarHBondContact N-O 2.89Å; Y67-L69 VanDerWaalsContact CE2-C 3.43Å; Y67-L69 VanDerWaalsContact CE2-O 3.29Å; Y67-L69 WeakPolarHBondContact CE2-O 3.07Å; Y67-L69 VanDerWaalsContact CZ-C 3.47Å; L69-Q78 CarbonylContact C-O 3.55Å; L69-Q78 VanDerWaalsContact CA-O 3.26Å; L69-Q78 WeakPolarHBondContact CA-O 3.43Å; L69-Q78 WeakPolarHBondContact CB-O 3.35Å; L69-F87 HydrophobicContact CD2-CB 4.15Å; L69-L100 HydrophobicContact CD2-CD1 3.68Å; L69-L100 HydrophobicContact CG-CD1 4.19Å
70	R	98	Very high	97.4	Very high	29 Å²	29	67.2 Å²	67.2	11%	0.109	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130.2	171.9	175.8	-134	74.8	-168.8	6.4	110.3	R53 I54 Y55 Y67 D76 K77 Q78	R53-R70 HydrophobicContact CB-CG 3.89Å; R53-R70 HydrophobicContact CG-CG 4.15Å; I54-R70 CarbonylContact O-C 3.59Å; I54-R70 VanDerWaalsContact O-CA 3.24Å; I54-R70 WeakPolarHBondContact O-CA 3.34Å; Y55-R70 HydrophobicContact CD1-CB 3.77Å; Y55-R70 HydrophobicContact CD1-CG 3.77Å; Y55-R70 HydrophobicContact CD2-CG 4.21Å; Y55-R70 HydrophobicContact CE1-CB 3.88Å; Y55-R70 HydrophobicContact CE1-CG 3.53Å; Y55-R70 HydrophobicContact CE2-CG 4Å; Y55-R70 HydrophobicContact CG-CB 4.28Å; Y55-R70 HydrophobicContact CG-CG 4.09Å; Y67-R70 HydrophobicContact CE2-CB 4.19Å; Y67-R70 WeakPolarHBondContact OH-CB 3.24Å; Y67-R70 PolarHBondContact OH-N 2.94Å; R70-D76 IonicContact CZ-OD1 3.26Å; R70-D76 VanDerWaalsContact CZ-OD1 3.26Å; R70-D76 IonicContact NH1-OD1 3.47Å; R70-D76 PolarHBondContact NH1-OD1 2.88Å; R70-D76 PolarHBondContact NH2-O 2.68Å; R70-D76 IonicContact NH2-OD1 2.61Å; R70-D76 PolarHBondContact NH2-OD1 2.79Å; R70-K77 VanDerWaalsContact NH2-C 3.31Å; R70-K77 CarbonylContact O-C 3.53Å; R70-K77 VanDerWaalsContact O-CA 3.27Å; R70-K77 WeakPolarHBondContact O-CA 3.44Å; R70-Q78 PolarHBondContact N-O 2.76Å; R70-Q78 PolarHBondContact O-N 3.3Å
71	Y	98.3	Very high	97.4	Very high	27 Å²	27	70.3 Å²	70.3	11%	0.106	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.3	179	-174.3	-92.6	0	0	0	112.4	I54 K77 G89 S90 K91	I54-Y71 PolarHBondContact N-O 2.88Å; I54-Y71 PolarHBondContact O-N 2.89Å; Y71-K77 HydrophobicContact CD2-CB 3.86Å; Y71-K77 HydrophobicContact CD2-CD 4.17Å; Y71-K77 HydrophobicContact CE2-CB 4.49Å; Y71-K77 HydrophobicContact CE2-CD 4.2Å; Y71-G89 WeakPolarHBondContact CD2-O 3.49Å; Y71-G89 VanDerWaalsContact CE2-O 3.23Å; Y71-G89 WeakPolarHBondContact CE2-O 3.38Å; Y71-S90 VanDerWaalsContact CE1-CA 3.5Å; Y71-K91 HydrophobicContact CD1-CD 4.27Å; Y71-K91 HydrophobicContact CD1-CG 3.86Å; Y71-K91 HydrophobicContact CE1-CB 4.27Å; Y71-K91 HydrophobicContact CE1-CD 4.16Å; Y71-K91 HydrophobicContact CE1-CG 3.84Å
72	K	96.8	Very high	97.4	Very high	74 Å²	74	68.4 Å²	68.4	32%	0.322	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-49.5	165.4	-169.3	-176.5	-179.3	179.6	0	111.3	R53 D76 K91	R53-K72 HydrophobicContact CG-CB 3.7Å; R53-K72 HydrophobicContact CG-CD 4.17Å; R53-K72 HydrophobicContact CG-CG 4.14Å; K72-D76 HydrophobicContact CB-CB 4.11Å; K72-D76 WeakPolarHBondContact CB-O 3.34Å; K72-D76 WeakPolarHBondContact CD-OD2 3.37Å; K72-D76 PolarHBondContact N-O 3Å; K72-K91 WeakPolarHBondContact O-CE 3.29Å; K72-K91 PolarHBondContact O-NZ 2.87Å
73	S	97.1	Very high	97.4	Very high	39 Å²	39	65.1 Å²	65.1	27%	0.273	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	172.6	177.9	59.9	0	0	0	0	108.7	S75 D76 K77	S73-S75 PolarHBondContact O-N 3.06Å; S73-S75 PolarHBondContact OG-OG 2.88Å; S73-S75 VanDerWaalsContact OG-OG 3.08Å; S73-D76 CarbonylContact O-C 3.52Å; S73-D76 PolarHBondContact O-N 2.64Å; S73-D76 PolarHBondContact OG-N 2.82Å; S73-K77 PolarHBondContact O-N 2.99Å
74	D	96.4	Very high	97.4	Very high	114 Å²	114	65.4 Å²	65.4	61%	0.61	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-32.2	176.5	-79.5	-48	0	0	0	114.3	D76 K77	D74-D76 VanDerWaalsContact C-N 3.34Å; D74-K77 WeakPolarHBondContact O-CE 3.43Å; D74-K77 IonicContact OD1-NZ 2.68Å; D74-K77 PolarHBondContact OD1-NZ 2.9Å
75	S	97.1	Very high	97.4	Very high	115 Å²	115	66.7 Å²	66.7	80%	0.804	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-11.9	174.8	62.4	0	0	0	0	113.8	S73	S73-S75 PolarHBondContact O-N 3.06Å; S73-S75 PolarHBondContact OG-OG 2.88Å; S73-S75 VanDerWaalsContact OG-OG 3.08Å
76	D	97.2	Very high	97.4	Very high	35 Å²	35	65.3 Å²	65.3	19%	0.187	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	69.5	-177.4	-173.3	22.5	0	0	0	109.7	R53 R70 K72 S73 D74	R53-D76 IonicContact CZ-OD2 3.22Å; R53-D76 VanDerWaalsContact CZ-OD2 3.22Å; R53-D76 IonicContact NE-OD1 3.88Å; R53-D76 IonicContact NE-OD2 3Å; R53-D76 PolarHBondContact NE-OD2 3.39Å; R53-D76 IonicContact NH2-OD1 3.72Å; R53-D76 IonicContact NH2-OD2 2.68Å; R53-D76 PolarHBondContact NH2-OD2 2.99Å; R70-D76 IonicContact CZ-OD1 3.26Å; R70-D76 VanDerWaalsContact CZ-OD1 3.26Å; R70-D76 IonicContact NH1-OD1 3.47Å; R70-D76 PolarHBondContact NH1-OD1 2.88Å; R70-D76 PolarHBondContact NH2-O 2.68Å; R70-D76 IonicContact NH2-OD1 2.61Å; R70-D76 PolarHBondContact NH2-OD1 2.79Å; K72-D76 HydrophobicContact CB-CB 4.11Å; K72-D76 WeakPolarHBondContact CB-O 3.34Å; K72-D76 WeakPolarHBondContact CD-OD2 3.37Å; K72-D76 PolarHBondContact N-O 3Å; S73-D76 CarbonylContact O-C 3.52Å; S73-D76 PolarHBondContact O-N 2.64Å; S73-D76 PolarHBondContact OG-N 2.82Å; D74-D76 VanDerWaalsContact C-N 3.34Å
77	K	97.3	Very high	97.5	Very high	119 Å²	119	60.7 Å²	60.7	52%	0.517	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	153.5	171.7	62.9	-171.7	172.6	-167.4	0	111.6	R70 Y71 S73 D74	R70-K77 VanDerWaalsContact NH2-C 3.31Å; R70-K77 CarbonylContact O-C 3.53Å; R70-K77 VanDerWaalsContact O-CA 3.27Å; R70-K77 WeakPolarHBondContact O-CA 3.44Å; Y71-K77 HydrophobicContact CD2-CB 3.86Å; Y71-K77 HydrophobicContact CD2-CD 4.17Å; Y71-K77 HydrophobicContact CE2-CB 4.49Å; Y71-K77 HydrophobicContact CE2-CD 4.2Å; S73-K77 PolarHBondContact O-N 2.99Å; D74-K77 WeakPolarHBondContact O-CE 3.43Å; D74-K77 IonicContact OD1-NZ 2.68Å; D74-K77 PolarHBondContact OD1-NZ 2.9Å
78	Q	97.8	Very high	97.5	Very high	109 Å²	109	59.9 Å²	59.9	51%	0.509	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	133.2	177.4	-179.3	176.8	1.4	0	0	109.4	Y67 L69 R70	Y67-Q78 PolarHBondContact OH-O 3.49Å; L69-Q78 CarbonylContact C-O 3.55Å; L69-Q78 VanDerWaalsContact CA-O 3.26Å; L69-Q78 WeakPolarHBondContact CA-O 3.43Å; L69-Q78 WeakPolarHBondContact CB-O 3.35Å; R70-Q78 PolarHBondContact N-O 2.76Å; R70-Q78 PolarHBondContact O-N 3.3Å
79	Q	97.6	Very high	97.4	Very high	73 Å²	73	60.2 Å²	60.2	34%	0.341	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	142.4	169.5	-155	76.2	-0.5	0	0	109.5	V83 P84 F87	Q79-V83 HydrophobicContact CG-CB 3.98Å; Q79-V83 HydrophobicContact CG-CG1 4.21Å; Q79-V83 VanDerWaalsContact NE2-CG1 3.29Å; Q79-P84 PolarHBondContact NE2-O 2.68Å; Q79-F87 PolarHBondContact NE2-O 2.97Å
80	G	97.7	Very high	97.4	Very high	9 Å²	9	62.2 Å²	62.2	9%	0.093	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-66	153	169.8	0	0	0	0	0	111.5	L68 G82 V83	L68-G80 WeakPolarHBondContact O-CA 3.39Å; L68-G80 PolarHBondContact O-N 2.9Å; G80-G82 PolarHBondContact O-N 2.96Å; G80-V83 WeakPolarHBondContact O-CB 3.27Å; G80-V83 PolarHBondContact O-N 2.89Å
81	S	97	Very high	97.4	Very high	133 Å²	133	63 Å²	63	93%	0.93	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	132	178.1	-171	0	0	0	0	110.7	V83	S81-V83 PolarHBondContact O-N 2.86Å
82	G	96.4	Very high	97.4	Very high	80 Å²	80	64.5 Å²	64.5	83%	0.825	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	-1	-179.8	0	0	0	0	0	115.3	G80 P84	G80-G82 PolarHBondContact O-N 2.96Å; G82-P84 WeakPolarHBondContact O-CD 3.45Å
83	V	97.3	Very high	97.3	Very high	26 Å²	26	64.8 Å²	64.8	16%	0.158	41%	0.408	C	S	.	.			trans	-77	123.8	179.3	179.5	0	0	0	0	109.2	L68 Q79 G80 S81 F87	L68-V83 HydrophobicContact CB-CG1 4.43Å; L68-V83 HydrophobicContact CD2-CG1 3.89Å; L68-V83 HydrophobicContact CD2-CG2 4.12Å; L68-V83 WeakPolarHBondContact O-CG2 3.4Å; Q79-V83 HydrophobicContact CG-CB 3.98Å; Q79-V83 HydrophobicContact CG-CG1 4.21Å; Q79-V83 VanDerWaalsContact NE2-CG1 3.29Å; G80-V83 WeakPolarHBondContact O-CB 3.27Å; G80-V83 PolarHBondContact O-N 2.89Å; S81-V83 PolarHBondContact O-N 2.86Å; V83-F87 HydrophobicContact CG1-CB 4.01Å; V83-F87 HydrophobicContact CG1-CD2 4.02Å; V83-F87 HydrophobicContact CG1-CG 4.09Å
84	P	97	Very high	97.1	Very high	50 Å²	50	68.3 Å²	68.3	33%	0.325	43%	0.433	S	S	.	.			trans	-60.2	147.5	-176.9	-25.7	36.2	0	0	0	112.7	Q79 G82 R86 F87	Q79-P84 PolarHBondContact NE2-O 2.68Å; G82-P84 WeakPolarHBondContact O-CD 3.45Å; P84-R86 HydrophobicContact CB-CG 4.12Å; P84-R86 VanDerWaalsContact CB-NH1 3.33Å; P84-R86 VanDerWaalsContact CG-NH1 3.27Å; P84-R86 PolarHBondContact O-N 2.77Å; P84-F87 HydrophobicContact CB-CD2 4.29Å; P84-F87 HydrophobicContact CG-CD2 4.5Å; P84-F87 HydrophobicContact CG-CE2 4.39Å; P84-F87 PolarHBondContact O-N 3.25Å; P84-F87 VanDerWaalsContact O-N 3.11Å
85	S	96.7	Very high	97.1	Very high	124 Å²	124	65.1 Å²	65.1	87%	0.867	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-10.7	179.3	59.5	0	0	0	0	114.1	F87	S85-F87 PolarHBondContact O-N 2.92Å
86	R	97.9	Very high	97	Very high	38 Å²	38	61.4 Å²	61.4	14%	0.143	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-20.8	174.9	89.8	179.1	163.7	-105.8	6.8	113	P84 I102 S103 E108 D109	P84-R86 HydrophobicContact CB-CG 4.12Å; P84-R86 VanDerWaalsContact CB-NH1 3.33Å; P84-R86 VanDerWaalsContact CG-NH1 3.27Å; P84-R86 PolarHBondContact O-N 2.77Å; R86-I102 HydrophobicContact CG-CG2 4.2Å; R86-I102 WeakPolarHBondContact O-CA 3.11Å; R86-S103 WeakPolarHBondContact CA-OG 3.28Å; R86-S103 VanDerWaalsContact CB-O 3.26Å; R86-S103 WeakPolarHBondContact CB-O 3.45Å; R86-S103 PolarHBondContact O-N 2.77Å; R86-S103 PolarHBondContact O-OG 3.07Å; R86-E108 IonicContact CZ-OE2 3Å; R86-E108 IonicContact NH2-OE2 2.81Å; R86-E108 PolarHBondContact NH2-OE2 3.5Å; R86-D109 IonicContact CZ-OD1 3.92Å; R86-D109 IonicContact CZ-OD2 2.99Å; R86-D109 IonicContact NE-OD1 3.38Å; R86-D109 PolarHBondContact NE-OD1 3.35Å; R86-D109 IonicContact NE-OD2 3.62Å; R86-D109 PolarHBondContact NE-OD2 2.83Å; R86-D109 IonicContact NH2-OD1 3.5Å; R86-D109 PolarHBondContact NH2-OD1 3.23Å; R86-D109 IonicContact NH2-OD2 3.29Å
87	F	98.3	Very high	97	Very high	5 Å²	5	59.8 Å²	59.8	2%	0.022	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.6	173.2	-69	-96.7	0	0	0	110	L68 L69 Q79 V83 P84 S85 L100 L101 I102 D109 Y113	L68-F87 HydrophobicContact CD1-CD1 3.88Å; L68-F87 HydrophobicContact CD1-CE1 3.94Å; L68-F87 HydrophobicContact CD2-CD1 4.46Å; L68-F87 HydrophobicContact CD2-CE1 4.39Å; L69-F87 HydrophobicContact CD2-CB 4.15Å; Q79-F87 PolarHBondContact NE2-O 2.97Å; V83-F87 HydrophobicContact CG1-CB 4.01Å; V83-F87 HydrophobicContact CG1-CD2 4.02Å; V83-F87 HydrophobicContact CG1-CG 4.09Å; P84-F87 HydrophobicContact CB-CD2 4.29Å; P84-F87 HydrophobicContact CG-CD2 4.5Å; P84-F87 HydrophobicContact CG-CE2 4.39Å; P84-F87 PolarHBondContact O-N 3.25Å; P84-F87 VanDerWaalsContact O-N 3.11Å; S85-F87 PolarHBondContact O-N 2.92Å; F87-L100 HydrophobicContact CD1-CD1 4.31Å; F87-L101 CarbonylContact C-O 3.58Å; F87-L101 WeakPolarHBondContact CA-O 3.18Å; F87-I102 HydrophobicContact CD1-CB 4.49Å; F87-I102 HydrophobicContact CD1-CD1 4.07Å; F87-I102 HydrophobicContact CD1-CG1 3.7Å; F87-I102 HydrophobicContact CD1-CG2 4.25Å; F87-I102 HydrophobicContact CE1-CB 4.42Å; F87-I102 HydrophobicContact CE1-CD1 3.53Å; F87-I102 HydrophobicContact CE1-CG1 3.66Å; F87-I102 HydrophobicContact CE1-CG2 3.94Å; F87-I102 HydrophobicContact CE2-CG2 4.36Å; F87-I102 HydrophobicContact CZ-CD1 4.35Å; F87-I102 HydrophobicContact CZ-CG2 4.01Å; F87-D109 WeakPolarHBondContact CZ-OD1 3.43Å; F87-Y113 AromaticContact CE1-CE1 3.96Å; F87-Y113 HydrophobicContact CE1-CE1 3.96Å
88	S	97.9	Very high	97	Very high	50 Å²	50	54.1 Å²	54.1	35%	0.35	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	145.1	176.2	60.4	0	0	0	0	111.7	L101	S88-L101 PolarHBondContact N-O 2.01Å; S88-L101 PolarHBondContact O-N 2.83Å
89	G	98.1	Very high	97.1	Very high	14 Å²	14	50.3 Å²	50.3	14%	0.144	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	146.7	175.7	0	0	0	0	0	111.5	Y71 I99	Y71-G89 WeakPolarHBondContact CD2-O 3.49Å; Y71-G89 VanDerWaalsContact CE2-O 3.23Å; Y71-G89 WeakPolarHBondContact CE2-O 3.38Å; G89-I99 CarbonylContact C-O 3.53Å; G89-I99 VanDerWaalsContact CA-O 3.29Å; G89-I99 WeakPolarHBondContact CA-O 3.25Å
90	S	98.2	Very high	97.1	Very high	44 Å²	44	46.9 Å²	46.9	31%	0.308	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	-175.9	168.7	70	0	0	0	0	110.9	Y71 I99	Y71-S90 VanDerWaalsContact CE1-CA 3.5Å; S90-I99 PolarHBondContact N-O 3.33Å; S90-I99 PolarHBondContact O-N 2.88Å; S90-I99 WeakPolarHBondContact OG-CB 3.27Å
91	K	97.7	Very high	97.2	Very high	44 Å²	44	49.4 Å²	49.4	19%	0.191	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	140.8	176.1	-72.4	174.6	179.8	-178.7	0	110.2	V49 G50 Y52 I54 Y71 K72 A97	V49-K91 HydrophobicContact CG2-CD 4.08Å; V49-K91 HydrophobicContact CG2-CG 4.06Å; V49-K91 WeakPolarHBondContact O-CE 3.43Å; V49-K91 PolarHBondContact O-NZ 3.44Å; G50-K91 PolarHBondContact O-NZ 3.39Å; Y52-K91 WeakPolarHBondContact O-CE 3.32Å; Y52-K91 PolarHBondContact O-NZ 2.91Å; I54-K91 HydrophobicContact CD1-CG 4.04Å; Y71-K91 HydrophobicContact CD1-CD 4.27Å; Y71-K91 HydrophobicContact CD1-CG 3.86Å; Y71-K91 HydrophobicContact CE1-CB 4.27Å; Y71-K91 HydrophobicContact CE1-CD 4.16Å; Y71-K91 HydrophobicContact CE1-CG 3.84Å; K72-K91 WeakPolarHBondContact O-CE 3.29Å; K72-K91 PolarHBondContact O-NZ 2.87Å; K91-A97 CarbonylContact C-O 3.59Å; K91-A97 WeakPolarHBondContact CA-O 3.46Å
92	D	97	Very high	97.2	Very high	59 Å²	59	43.2 Å²	43.2	32%	0.316	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	103.3	164.1	-176.7	-16.4	0	0	0	108.4	S94 A95 N96 A97 I99	D92-S94 VanDerWaalsContact C-N 3.27Å; D92-S94 PolarHBondContact O-N 3.39Å; D92-S94 WeakPolarHBondContact OD1-CA 3.35Å; D92-S94 WeakPolarHBondContact OD1-CB 3.25Å; D92-S94 PolarHBondContact OD1-N 2.96Å; D92-S94 PolarHBondContact OD1-OG 3.08Å; D92-A95 HydrophobicContact CB-CB 4.12Å; D92-A95 PolarHBondContact OD1-N 2.83Å; D92-N96 PolarHBondContact O-N 3.27Å; D92-N96 VanDerWaalsContact O-N 3.08Å; D92-A97 PolarHBondContact N-O 3.32Å; D92-A97 PolarHBondContact O-N 3.07Å; D92-I99 HydrophobicContact CB-CD1 3.96Å
93	A	94.7	Very high	97.3	Very high	80 Å²	80	41.7 Å²	41.7	66%	0.661	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-27.7	179.9	0	0	0	0	0	112.6	N96	A93-N96 PolarHBondContact O-N 2.84Å
94	S	94.5	Very high	97.3	Very high	114 Å²	114	41.9 Å²	41.9	80%	0.797	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-37.2	179.8	74.9	0	0	0	0	111.7	D92 N96	D92-S94 VanDerWaalsContact C-N 3.27Å; D92-S94 PolarHBondContact O-N 3.39Å; D92-S94 WeakPolarHBondContact OD1-CA 3.35Å; D92-S94 WeakPolarHBondContact OD1-CB 3.25Å; D92-S94 PolarHBondContact OD1-N 2.96Å; D92-S94 PolarHBondContact OD1-OG 3.08Å; S94-N96 VanDerWaalsContact C-N 3.32Å
95	A	95.4	Very high	97.4	Very high	47 Å²	47	40.8 Å²	40.8	39%	0.388	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-1.1	174.3	0	0	0	0	0	113.5	D92 A97	D92-A95 HydrophobicContact CB-CB 4.12Å; D92-A95 PolarHBondContact OD1-N 2.83Å; A95-A97 HydrophobicContact CB-CB 4.11Å; A95-A97 PolarHBondContact O-N 3.31Å
96	N	95.8	Very high	97.4	Very high	36 Å²	36	39.1 Å²	39.1	19%	0.193	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	43.2	-171.4	-158.9	40.8	0	0	0	113.1	L43 I47 V49 D92 A93 S94	L43-N96 PolarHBondContact N-O 3.19Å; L43-N96 PolarHBondContact O-ND2 3.18Å; I47-N96 PolarHBondContact O-ND2 3.25Å; V49-N96 WeakPolarHBondContact CB-OD1 3.11Å; V49-N96 PolarHBondContact N-OD1 2.8Å; D92-N96 PolarHBondContact O-N 3.27Å; D92-N96 VanDerWaalsContact O-N 3.08Å; A93-N96 PolarHBondContact O-N 2.84Å; S94-N96 VanDerWaalsContact C-N 3.32Å
97	A	97.1	Very high	97.3	Very high	2 Å²	2	42.2 Å²	42.2	2%	0.017	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.6	-168	0	0	0	0	0	113.6	C41 K91 D92 A95	C41-A97 CarbonylContact O-C 3.56Å; C41-A97 VanDerWaalsContact O-CA 3.26Å; C41-A97 WeakPolarHBondContact O-CA 3.22Å; K91-A97 CarbonylContact C-O 3.59Å; K91-A97 WeakPolarHBondContact CA-O 3.46Å; D92-A97 PolarHBondContact N-O 3.32Å; D92-A97 PolarHBondContact O-N 3.07Å; A95-A97 HydrophobicContact CB-CB 4.11Å; A95-A97 PolarHBondContact O-N 3.31Å
98	G	97.7	Very high	97.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	149.4	160.5	0	0	0	0	0	111.3	T40 C41	T40-G98 CarbonylContact C-O 3.54Å; T40-G98 WeakPolarHBondContact CA-O 3.44Å; C41-G98 PolarHBondContact N-O 3.4Å; C41-G98 PolarHBondContact O-N 3.45Å
99	I	98.4	Very high	97.1	Very high	29 Å²	29	43.8 Å²	43.8	15%	0.149	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.6	177	-61.8	170.8	0	0	0	109	S38 L39 T40 G89 S90 D92	S38-I99 VanDerWaalsContact OG-CG2 3.28Å; S38-I99 WeakPolarHBondContact OG-CG2 2.95Å; L39-I99 WeakPolarHBondContact O-CA 2.95Å; T40-I99 HydrophobicContact CG2-CG1 4.48Å; G89-I99 CarbonylContact C-O 3.53Å; G89-I99 VanDerWaalsContact CA-O 3.29Å; G89-I99 WeakPolarHBondContact CA-O 3.25Å; S90-I99 PolarHBondContact N-O 3.33Å; S90-I99 PolarHBondContact O-N 2.88Å; S90-I99 WeakPolarHBondContact OG-CB 3.27Å; D92-I99 HydrophobicContact CB-CD1 3.96Å
100	L	98.7	Very high	97.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.9	161.4	178.8	66.8	0	0	0	108.1	S38 L39 W56 L68 L69 F87 I102 Y113	S38-L100 WeakPolarHBondContact CA-O 3.49Å; L39-L100 HydrophobicContact CB-CB 4.38Å; L39-L100 HydrophobicContact CD1-CD2 4.24Å; L39-L100 PolarHBondContact N-O 3.06Å; L39-L100 PolarHBondContact O-N 2.95Å; W56-L100 HydrophobicContact CB-CD1 4.31Å; W56-L100 HydrophobicContact CB-CD2 4.24Å; W56-L100 HydrophobicContact CD2-CB 3.55Å; W56-L100 HydrophobicContact CD2-CD1 4.47Å; W56-L100 HydrophobicContact CD2-CD2 3.99Å; W56-L100 HydrophobicContact CD2-CG 4.22Å; W56-L100 VanDerWaalsContact CE2-CB 3.48Å; W56-L100 HydrophobicContact CE3-CB 3.82Å; W56-L100 HydrophobicContact CE3-CD2 3.82Å; W56-L100 HydrophobicContact CE3-CG 4.42Å; W56-L100 HydrophobicContact CG-CB 4.04Å; W56-L100 HydrophobicContact CG-CD1 4.1Å; W56-L100 HydrophobicContact CG-CD2 4.18Å; W56-L100 HydrophobicContact CG-CG 4.35Å; W56-L100 HydrophobicContact CH2-CB 3.94Å; W56-L100 HydrophobicContact CZ2-CB 3.69Å; W56-L100 HydrophobicContact CZ3-CB 4Å; W56-L100 HydrophobicContact CZ3-CD2 4.42Å; L68-L100 HydrophobicContact CD1-CD2 3.93Å; L69-L100 HydrophobicContact CD2-CD1 3.68Å; L69-L100 HydrophobicContact CG-CD1 4.19Å; F87-L100 HydrophobicContact CD1-CD1 4.31Å; L100-I102 HydrophobicContact CD2-CD1 4.43Å; L100-I102 HydrophobicContact CD2-CG1 4.45Å; L100-I102 HydrophobicContact CG-CG1 4.24Å; L100-Y113 HydrophobicContact CD2-CD1 3.73Å; L100-Y113 HydrophobicContact CD2-CE1 4.12Å
101	L	98.4	Very high	97.1	Very high	63 Å²	63	50.2 Å²	50.2	33%	0.33	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126	173.2	177.8	69.5	0	0	0	109.2	A37 F87 S88	A37-L101 WeakPolarHBondContact O-CA 3.42Å; F87-L101 CarbonylContact C-O 3.58Å; F87-L101 WeakPolarHBondContact CA-O 3.18Å; S88-L101 PolarHBondContact N-O 2.01Å; S88-L101 PolarHBondContact O-N 2.83Å
102	I	98.4	Very high	97.1	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	104.6	172.7	-46.6	174.7	0	0	0	106.7	S36 A37 L39 R86 F87 L100 L105 Y113	S36-I102 CarbonylContact C-O 3.57Å; S36-I102 VanDerWaalsContact CA-O 3.25Å; S36-I102 WeakPolarHBondContact CA-O 3.26Å; A37-I102 HydrophobicContact CB-CB 4.45Å; A37-I102 PolarHBondContact N-O 2.77Å; A37-I102 PolarHBondContact O-N 2.85Å; L39-I102 HydrophobicContact CD1-CD1 3.83Å; L39-I102 HydrophobicContact CD1-CG1 4.36Å; R86-I102 HydrophobicContact CG-CG2 4.2Å; R86-I102 WeakPolarHBondContact O-CA 3.11Å; F87-I102 HydrophobicContact CD1-CB 4.49Å; F87-I102 HydrophobicContact CD1-CD1 4.07Å; F87-I102 HydrophobicContact CD1-CG1 3.7Å; F87-I102 HydrophobicContact CD1-CG2 4.25Å; F87-I102 HydrophobicContact CE1-CB 4.42Å; F87-I102 HydrophobicContact CE1-CD1 3.53Å; F87-I102 HydrophobicContact CE1-CG1 3.66Å; F87-I102 HydrophobicContact CE1-CG2 3.94Å; F87-I102 HydrophobicContact CE2-CG2 4.36Å; F87-I102 HydrophobicContact CZ-CD1 4.35Å; F87-I102 HydrophobicContact CZ-CG2 4.01Å; L100-I102 HydrophobicContact CD2-CD1 4.43Å; L100-I102 HydrophobicContact CD2-CG1 4.45Å; L100-I102 HydrophobicContact CG-CG1 4.24Å; I102-L105 HydrophobicContact CB-CD2 4.16Å; I102-L105 HydrophobicContact CG2-CD2 3.87Å; I102-Y113 HydrophobicContact CD1-CE1 3.79Å; I102-Y113 HydrophobicContact CD1-CE2 4.38Å
103	S	98.2	Very high	97.2	Very high	49 Å²	49	51.3 Å²	51.3	34%	0.343	31%	0.31	S	S	.	.			trans	-85.3	139.9	176.8	61.8	0	0	0	0	110.6	R86	R86-S103 WeakPolarHBondContact CA-OG 3.28Å; R86-S103 VanDerWaalsContact CB-O 3.26Å; R86-S103 WeakPolarHBondContact CB-O 3.45Å; R86-S103 PolarHBondContact O-N 2.77Å; R86-S103 PolarHBondContact O-OG 3.07Å
104	G	98	Very high	97.3	Very high	30 Å²	30	52 Å²	52	31%	0.309	30%	0.296	S	S	.	.	S	Bend	trans	65.2	56.7	174.3	0	0	0	0	0	112.3	G34 A35 Q106	G34-G104 WeakPolarHBondContact O-CA 3.43Å; A35-G104 PolarHBondContact O-N 2.8Å; A35-G104 VanDerWaalsContact O-N 3.13Å; G104-Q106 WeakPolarHBondContact O-CG 3.48Å; G104-Q106 PolarHBondContact O-N 2.07Å
105	L	97.8	Very high	97.5	Very high	27 Å²	27	47.2 Å²	47.2	14%	0.141	26%	0.263	C	S	.	.			trans	-49.5	133.3	-178.4	-81.1	170	0	0	0	112.7	A31 G34 A35 A37 I102 D109	A31-L105 HydrophobicContact CB-CD1 3.45Å; A31-L105 VanDerWaalsContact CB-CD1 3.45Å; G34-L105 PolarHBondContact N-O 2.87Å; A35-L105 WeakPolarHBondContact O-CG 3.43Å; A35-L105 PolarHBondContact O-N 3.37Å; A37-L105 HydrophobicContact CB-CD1 3.77Å; A37-L105 HydrophobicContact CB-CD2 4Å; A37-L105 HydrophobicContact CB-CG 4.13Å; I102-L105 HydrophobicContact CB-CD2 4.16Å; I102-L105 HydrophobicContact CG2-CD2 3.87Å; L105-D109 HydrophobicContact CD2-CB 3.94Å
106	Q	97.6	Very high	97.5	Very high	89 Å²	89	48 Å²	48	42%	0.416	26%	0.259	S	S	.	.			trans	-116.6	164.4	176.1	-47.5	-169.8	-52.3	0	0	110.2	G104 E108 D109	G104-Q106 WeakPolarHBondContact O-CG 3.48Å; G104-Q106 PolarHBondContact O-N 2.07Å; Q106-E108 WeakPolarHBondContact CB-OE1 3.5Å; Q106-E108 WeakPolarHBondContact CB-OE2 3.35Å; Q106-E108 PolarHBondContact O-N 3.2Å; Q106-E108 PolarHBondContact OE1-OE2 2.93Å; Q106-D109 PolarHBondContact N-OD2 3Å; Q106-D109 WeakPolarHBondContact O-CB 3.38Å; Q106-D109 PolarHBondContact O-N 3.15Å
107	S	95.4	Very high	97.4	Very high	102 Å²	102	47.3 Å²	47.3	71%	0.713	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-63.1	-27.8	-179.9	52.1	0	0	0	0	112.3	D109 E110	S107-D109 PolarHBondContact O-N 3.18Å; S107-E110 PolarHBondContact O-N 2.67Å
108	E	95.7	Very high	96.9	Very high	82 Å²	82	55 Å²	55	38%	0.383	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-73.4	-7.2	176.3	-14.6	79.2	-133.4	0	0	114.3	K60 R86 Q106 E110	K60-E108 WeakPolarHBondContact CE-O 3.3Å; K60-E108 PolarHBondContact NZ-O 2.79Å; R86-E108 IonicContact CZ-OE2 3Å; R86-E108 IonicContact NH2-OE2 2.81Å; R86-E108 PolarHBondContact NH2-OE2 3.5Å; Q106-E108 WeakPolarHBondContact CB-OE1 3.5Å; Q106-E108 WeakPolarHBondContact CB-OE2 3.35Å; Q106-E108 PolarHBondContact O-N 3.2Å; Q106-E108 PolarHBondContact OE1-OE2 2.93Å; E108-E110 VanDerWaalsContact C-N 3.34Å
109	D	97.2	Very high	95.8	Very high	7 Å²	7	59.9 Å²	59.9	4%	0.037	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-85.6	-7.1	176.3	-61	-32.5	0	0	0	112.5	R86 F87 L105 Q106 S107 A111 Y113	R86-D109 IonicContact CZ-OD1 3.92Å; R86-D109 IonicContact CZ-OD2 2.99Å; R86-D109 IonicContact NE-OD1 3.38Å; R86-D109 PolarHBondContact NE-OD1 3.35Å; R86-D109 IonicContact NE-OD2 3.62Å; R86-D109 PolarHBondContact NE-OD2 2.83Å; R86-D109 IonicContact NH2-OD1 3.5Å; R86-D109 PolarHBondContact NH2-OD1 3.23Å; R86-D109 IonicContact NH2-OD2 3.29Å; F87-D109 WeakPolarHBondContact CZ-OD1 3.43Å; L105-D109 HydrophobicContact CD2-CB 3.94Å; Q106-D109 PolarHBondContact N-OD2 3Å; Q106-D109 WeakPolarHBondContact O-CB 3.38Å; Q106-D109 PolarHBondContact O-N 3.15Å; S107-D109 PolarHBondContact O-N 3.18Å; D109-A111 PolarHBondContact O-N 3.15Å; D109-A111 VanDerWaalsContact O-N 3.13Å; D109-Y113 VanDerWaalsContact O-CE2 3.32Å; D109-Y113 WeakPolarHBondContact O-CE2 3.4Å; D109-Y113 PolarHBondContact O-OH 3.34Å
110	E	97.3	Very high	94.1	Very high	168 Å²	168	63.3 Å²	63.3	79%	0.785	33%	0.333	S	S	*	.			trans	-69.4	105.6	172.7	-170.2	176.8	166	0	0	110.1	S107 E108	S107-E110 PolarHBondContact O-N 2.67Å; E108-E110 VanDerWaalsContact C-N 3.34Å
111	A	97.7	Very high	92.2	Very high	25 Å²	25	67.9 Å²	67.9	21%	0.207	37%	0.365	C	S	.	.	S	Bend	trans	-165.6	166.4	-171.3	0	0	0	0	0	110.8	Q58 Q59 K60 D109 Y113	Q58-A111 HydrophobicContact CG-CB 3.44Å; Q58-A111 VanDerWaalsContact CG-CB 3.44Å; Q59-A111 WeakPolarHBondContact O-CB 3.33Å; K60-A111 HydrophobicContact CG-CB 4.26Å; D109-A111 PolarHBondContact O-N 3.15Å; D109-A111 VanDerWaalsContact O-N 3.13Å; A111-Y113 HydrophobicContact CB-CE2 3.95Å; A111-Y113 VanDerWaalsContact O-CD2 3.27Å; A111-Y113 WeakPolarHBondContact O-CD2 3.43Å; A111-Y113 WeakPolarHBondContact O-CE2 3.36Å
112	D	98	Very high	89.3	Confident	98 Å²	98	69.4 Å²	69.4	52%	0.524	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	141.4	162.3	-66.7	-44.9	0	0	0	109.8	Q58 Q59 Y114	Q58-D112 CarbonylContact C-O 3.55Å; Q59-D112 HydrophobicContact CB-CB 4.33Å; Q59-D112 PolarHBondContact N-O 2.61Å; Q59-D112 PolarHBondContact O-N 3.44Å; D112-Y114 HydrophobicContact CB-CE2 3.78Å; D112-Y114 WeakPolarHBondContact CB-OH 3.32Å
113	Y	98.4	Very high	86.2	Confident	27 Å²	27	78.1 Å²	78.1	11%	0.106	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.2	-179.2	-71.5	-92.8	0	0	0	110.4	Q25 L39 Y57 Q58 L68 F87 L100 I102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 3.47Å; L39-Y113 HydrophobicContact CD2-CD2 4.05Å; L39-Y113 HydrophobicContact CD2-CG 3.97Å; Y57-Y113 WeakPolarHBondContact O-CA 3.27Å; Q58-Y113 HydrophobicContact CB-CD1 4.33Å; Q58-Y113 HydrophobicContact CB-CE1 4.05Å; Q58-Y113 HydrophobicContact CG-CD1 4.42Å; Q58-Y113 HydrophobicContact CG-CE1 3.86Å; Q58-Y113 PolarHBondContact NE2-OH 2.92Å; L68-Y113 HydrophobicContact CD1-CD1 3.98Å; L68-Y113 HydrophobicContact CD1-CE1 3.81Å; F87-Y113 AromaticContact CE1-CE1 3.96Å; F87-Y113 HydrophobicContact CE1-CE1 3.96Å; L100-Y113 HydrophobicContact CD2-CD1 3.73Å; L100-Y113 HydrophobicContact CD2-CE1 4.12Å; I102-Y113 HydrophobicContact CD1-CE1 3.79Å; I102-Y113 HydrophobicContact CD1-CE2 4.38Å; D109-Y113 VanDerWaalsContact O-CE2 3.32Å; D109-Y113 WeakPolarHBondContact O-CE2 3.4Å; D109-Y113 PolarHBondContact O-OH 3.34Å; A111-Y113 HydrophobicContact CB-CE2 3.95Å; A111-Y113 VanDerWaalsContact O-CD2 3.27Å; A111-Y113 WeakPolarHBondContact O-CD2 3.43Å; A111-Y113 WeakPolarHBondContact O-CE2 3.36Å
114	Y	98	Very high	85.6	Confident	95 Å²	95	79.6 Å²	79.6	37%	0.373	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.2	-177.6	-55.4	-76.2	0	0	0	110.8	W56 Y57 Q59 D112	W56-Y114 WeakPolarHBondContact CA-O 3.45Å; Y57-Y114 PolarHBondContact N-O 2.99Å; Y57-Y114 PolarHBondContact O-N 3.08Å; Q59-Y114 HydrophobicContact CB-CD2 4.38Å; Q59-Y114 HydrophobicContact CB-CE2 3.77Å; Q59-Y114 VanDerWaalsContact OE1-CE2 3.28Å; Q59-Y114 PolarHBondContact OE1-OH 2.9Å; D112-Y114 HydrophobicContact CB-CE2 3.78Å; D112-Y114 WeakPolarHBondContact CB-OH 3.32Å
115	C	97.5	Very high	84.9	Confident	14 Å²	14	82.2 Å²	82.2	10%	0.095	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	150.2	166.3	68.9	0	0	0	0	111.4	Q25 C41 I54 Y55 W56	Q25-C115 VanDerWaalsContact CD-SG 3.57Å; Q25-C115 PolarHBondContact OE1-SG 2.85Å; Q25-C115 VanDerWaalsContact OE1-SG 3.33Å; C41-C115 HydrophobicContact CB-CB 3.36Å; C41-C115 WeakPolarHBondContact CB-SG 3.19Å; C41-C115 WeakPolarHBondContact SG-CB 3.44Å; C41-C115 CovalentContact SG-SG 2.01Å; C41-C115 PolarHBondContact SG-SG 3.42Å; I54-C115 HydrophobicContact CG2-CB 4.34Å; Y55-C115 CarbonylContact O-C 3.57Å; Y55-C115 VanDerWaalsContact O-CA 3.27Å; Y55-C115 WeakPolarHBondContact O-CA 3.5Å; W56-C115 HydrophobicContact CD2-CB 4.29Å; W56-C115 HydrophobicContact CE3-CB 4Å; W56-C115 HydrophobicContact CH2-CB 4.05Å; W56-C115 HydrophobicContact CZ2-CB 4.3Å; W56-C115 HydrophobicContact CZ3-CB 3.88Å
116	M	95.5	Very high	84.2	Confident	63 Å²	63	85.3 Å²	85.3	31%	0.31	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	145.1	177.1	-174.4	-141	-164.7	0	0	109.9	Y55 Y57 W118	Y55-M116 PolarHBondContact N-O 3.33Å; Y55-M116 PolarHBondContact O-N 3.01Å; Y57-M116 HydrophobicContact CE2-CB 4.21Å; Y57-M116 HydrophobicContact CE2-SD 4.42Å; M116-W118 HydrophobicContact CE-CD2 4.2Å; M116-W118 HydrophobicContact CE-CH2 4.32Å; M116-W118 HydrophobicContact CE-CZ2 3.75Å
117	I	93.6	Very high	83.4	Confident	21 Å²	21	85.1 Å²	85.1	11%	0.108	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	151.4	165.2	65.5	171.8	0	0	0	109.2	A21 L23 L43 I47 Y52 I54	A21-I117 HydrophobicContact CB-CD1 4.32Å; L23-I117 HydrophobicContact CD1-CG1 4.2Å; L23-I117 HydrophobicContact CD1-CG2 4.31Å; L23-I117 HydrophobicContact CD2-CD1 3.99Å; L23-I117 HydrophobicContact CD2-CG1 4.11Å; L23-I117 HydrophobicContact CD2-CG2 4.12Å; L23-I117 HydrophobicContact CG-CG1 4.43Å; L43-I117 HydrophobicContact CD2-CD1 4.15Å; L43-I117 HydrophobicContact CD2-CG2 4.37Å; L43-I117 HydrophobicContact CG-CD1 4.46Å; I47-I117 HydrophobicContact CD1-CD1 3.74Å; Y52-I117 HydrophobicContact CD1-CB 4.12Å; Y52-I117 HydrophobicContact CD1-CD1 4.05Å; Y52-I117 HydrophobicContact CD1-CG1 4.48Å; Y52-I117 HydrophobicContact CE1-CD1 4.26Å; Y52-I117 HydrophobicContact CG-CB 4.44Å; Y52-I117 HydrophobicContact CG-CD1 4.26Å; I54-I117 HydrophobicContact CG1-CG2 4.36Å
118	W	87.1	Confident	82.7	Confident	165 Å²	165	84 Å²	84	63%	0.625	47%	0.468	S	S	*	.			trans	-93.8	116.5	167.4	-77.2	87.8	0	0	0	109.4	Y52 Y55 M116	Y52-W118 WeakPolarHBondContact CD1-O 3.33Å; Y52-W118 VanDerWaalsContact CE1-O 3.32Å; Y52-W118 WeakPolarHBondContact CE1-O 3.22Å; Y55-W118 AromaticContact CE2-CD1 3.46Å; Y55-W118 VanDerWaalsContact CE2-CD1 3.46Å; Y55-W118 AromaticContact CZ-CD1 3.77Å; M116-W118 HydrophobicContact CE-CD2 4.2Å; M116-W118 HydrophobicContact CE-CH2 4.32Å; M116-W118 HydrophobicContact CE-CZ2 3.75Å
119	H	74.2	Confident	81.8	Confident	102 Å²	102	84.1 Å²	84.1	47%	0.472	47%	0.473	S	S	.	.			trans	-94.6	101.8	170.6	-169	-95.1	0	0	0	108.8	Y52 S121	Y52-H119 PolarHBondContact OH-CD2 2.61Å; H119-S121 PolarHBondContact O-N 2.89Å
120	S	63.8	Low	80.7	Confident	101 Å²	101	89.6 Å²	89.6	71%	0.706	50%	0.504	S	S	*	.			trans	-77.7	99	172.5	56.9	0	0	0	0	108.9	A122	S120-A122 PolarHBondContact O-N 3.01Å; S120-A122 VanDerWaalsContact O-N 3.15Å
121	S	57.3	Low	79.4	Confident	95 Å²	95	83.6 Å²	83.6	66%	0.664	48%	0.483	S	S	*	.			trans	-80.8	35	166.3	59.3	0	0	0	0	111.7	H119 S123	H119-S121 PolarHBondContact O-N 2.89Å; S121-S123 PolarHBondContact O-N 3.21Å
122	A	37.5	Very low	77.9	Confident	96 Å²	96	88.5 Å²	88.5	79%	0.793	51%	0.506	S	S	*	.			trans	-76.4	81.9	176.6	0	0	0	0	0	109.1	S120	S120-A122 PolarHBondContact O-N 3.01Å; S120-A122 VanDerWaalsContact O-N 3.15Å
123	S	33.8	Very low	76.1	Confident	185 Å²	185	87.6 Å²	87.6	100%	1.294	50%	0.504	S	S	*	.			trans	-90.4	0	142.9	54.3	0	0	0	0	108.6	S121	S121-S123 PolarHBondContact O-N 3.21Å

Retrieved 123 of 123 residues in 117.2 ms (Link to these results)

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