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Immunoglobulin kappa variable 2D-40

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 P01614, Species HUMAN (Homo sapiens, Human), Gene IGKV2D-40, Length 121 aa.

						>KVD40_HUMAN|P01614|IGKV2D-40
MRLPAQLLGLLMLWVPGSSEDIVMTQTPLSLPVTPGEPASISCRSSQSLLDSDDGNTYLDWYLQKPGQSPQLLIYTLSYRASGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCMQRIEFP
					

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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	41.6	Very low	54	Low	234 Å²	234	159.3 Å²	159.3	100%	1.153	86%	0.855	S	S	*	*				0	106.8	0	-73.2	155.9	161.3	0	0	108
2	R	46.5	Very low	54.4	Low	256 Å²	256	160.4 Å²	160.4	97%	0.966	86%	0.855	S	S	*	*			trans	-93.7	105.1	172.5	-73.5	-173.9	177.5	-179.9	-0.3	107
3	L	53	Low	55.1	Low	158 Å²	158	159.1 Å²	159.1	83%	0.827	85%	0.847	S	S	*	*			trans	-82.8	122.9	167.6	-78.1	123.3	0	0	0	107.6	A5	L3-A5 PolarHBondContact O-N 3.39Å
4	P	51.1	Low	55.7	Low	113 Å²	113	164.1 Å²	164.1	73%	0.734	85%	0.848	S	S	*	*			trans	-75	109.4	-175.8	29.5	-30.2	0	0	0	109.2	Q6	P4-Q6 PolarHBondContact O-N 2.97Å
5	A	59.6	Low	56.5	Low	106 Å²	106	161.7 Å²	161.7	88%	0.876	84%	0.844	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	45.7	177.5	0	0	0	0	0	112.7	L3	L3-A5 PolarHBondContact O-N 3.39Å
6	Q	56.1	Low	56.8	Low	176 Å²	176	158.2 Å²	158.2	82%	0.822	83%	0.834	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.6	-0.3	-173	-70.2	-113.9	-93	0	0	114.7	P4	P4-Q6 PolarHBondContact O-N 2.97Å
7	L	55	Low	57.1	Low	163 Å²	163	153.1 Å²	153.1	85%	0.853	83%	0.828	S	S	*	*	S	Bend	trans	-108.1	-14.1	-174.6	-127.5	78.6	0	0	0	116.9
8	L	56.3	Low	57.5	Low	170 Å²	170	149.8 Å²	149.8	89%	0.89	82%	0.819	S	S	*	*	G	3₁₀ helix	trans	-86.1	-12.5	-177.8	-124.5	80	0	0	0	114.4	L10	L8-L10 PolarHBondContact O-N 2.99Å
9	G	58.1	Low	58	Low	63 Å²	63	147.7 Å²	147.7	65%	0.649	82%	0.816	S	S	*	*	G	3₁₀ helix	trans	-80.4	-10	-172.2	0	0	0	0	0	116.2
10	L	57.5	Low	58.8	Low	148 Å²	148	147.4 Å²	147.4	78%	0.775	81%	0.808	S	S	*	*	G	3₁₀ helix	trans	-94.2	-7.8	-172.2	-129.1	84.6	0	0	0	115.1	L8	L8-L10 PolarHBondContact O-N 2.99Å
11	L	59.2	Low	60.1	Low	165 Å²	165	146.4 Å²	146.4	86%	0.864	80%	0.802	S	S	*	*	G	3₁₀ helix	trans	-85.6	-10.7	-174.2	-134.1	85.5	0	0	0	114.7
12	M	59	Low	62.6	Low	173 Å²	173	136 Å²	136	85%	0.852	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-91.3	5	-173.8	-71.5	-67.3	-177.2	0	0	114.9
13	L	62.6	Low	64.9	Low	143 Å²	143	128 Å²	128	75%	0.749	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-101.3	10.1	-173.8	-87.1	154.4	0	0	0	115.3
14	W	63.8	Low	67	Low	229 Å²	229	122.8 Å²	122.8	87%	0.867	70%	0.702	S	S	*	*			trans	-125.2	66.6	175.9	-73.8	71.3	0	0	0	110.9	P16	W14-P16 WeakPolarHBondContact O-CD 3.45Å
15	V	68.3	Low	69.2	Low	129 Å²	129	121.5 Å²	121.5	78%	0.782	69%	0.692	S	S	*	*			trans	-97.8	103.1	150.2	-175	0	0	0	0	105.2	G17	V15-G17 PolarHBondContact O-N 3.24Å
16	P	61.8	Low	71.1	Confident	105 Å²	105	118.7 Å²	118.7	68%	0.682	66%	0.661	S	S	*	*			trans	-57.8	111.5	163.6	-14.4	27.8	0	0	0	106.1	W14 S18	W14-P16 WeakPolarHBondContact O-CD 3.45Å; P16-S18 PolarHBondContact O-N 3.28Å
17	G	61.6	Low	73.1	Confident	71 Å²	71	114.4 Å²	114.4	73%	0.732	65%	0.647	S	S	*	*			trans	-62.3	105.5	166.4	0	0	0	0	0	106.7	V15 S19	V15-G17 PolarHBondContact O-N 3.24Å; G17-S19 PolarHBondContact O-N 3.16Å; G17-S19 VanDerWaalsContact O-N 3.16Å
18	S	64.6	Low	75.1	Confident	95 Å²	95	109.2 Å²	109.2	66%	0.664	62%	0.623	S	S	*	*			trans	-73.7	98.6	163.2	52.7	0	0	0	0	106.2	P16 E20	P16-S18 PolarHBondContact O-N 3.28Å; S18-E20 VanDerWaalsContact C-N 3.34Å; S18-E20 PolarHBondContact O-N 3.41Å; S18-E20 VanDerWaalsContact O-N 3.12Å
19	S	65.9	Low	77	Confident	109 Å²	109	109.3 Å²	109.3	76%	0.762	62%	0.624	S	S	*	*			trans	-68.4	101.1	159.1	52.6	0	0	0	0	106.2	G17 D21	G17-S19 PolarHBondContact O-N 3.16Å; G17-S19 VanDerWaalsContact O-N 3.16Å; S19-D21 PolarHBondContact O-N 2.84Å
20	E	73.9	Confident	78.9	Confident	142 Å²	142	111.1 Å²	111.1	66%	0.664	63%	0.626	S	S	*	*			trans	-80.3	112.5	172	-69.5	-173.6	169.4	0	0	108	S18 I22 Q47	S18-E20 VanDerWaalsContact C-N 3.34Å; S18-E20 PolarHBondContact O-N 3.41Å; S18-E20 VanDerWaalsContact O-N 3.12Å; E20-I22 PolarHBondContact O-N 3.43Å; E20-Q47 PolarHBondContact O-NE2 3.49Å; E20-Q47 VanDerWaalsContact O-NE2 3.09Å
21	D	87.4	Confident	80.8	Confident	126 Å²	126	107.7 Å²	107.7	67%	0.674	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-53	138.3	173.9	-68.6	-22.2	0	0	0	110.6	S19 V23	S19-D21 PolarHBondContact O-N 2.84Å; D21-V23 PolarHBondContact O-N 2.83Å
22	I	92.7	Very high	82.6	Confident	17 Å²	17	105.5 Å²	105.5	9%	0.087	60%	0.604	C	S	.	*	P	Polyproline II helix	trans	-67.4	116.7	171.8	-62.1	167.4	0	0	0	110.2	E20 M24 Q47 L49 Q116 I118 E119	E20-I22 PolarHBondContact O-N 3.43Å; I22-M24 HydrophobicContact CG2-SD 3.88Å; I22-Q47 HydrophobicContact CG1-CB 4.16Å; I22-Q47 HydrophobicContact CG1-CG 4.16Å; I22-L49 HydrophobicContact CD1-CD2 4.14Å; I22-L49 HydrophobicContact CG2-CD2 4.08Å; I22-Q116 HydrophobicContact CB-CG 3.98Å; I22-Q116 HydrophobicContact CD1-CG 4.4Å; I22-Q116 HydrophobicContact CG2-CB 4.42Å; I22-Q116 HydrophobicContact CG2-CG 3.79Å; I22-I118 HydrophobicContact CD1-CB 4.06Å; I22-I118 HydrophobicContact CD1-CG2 4.2Å; I22-E119 HydrophobicContact CD1-CB 4.19Å; I22-E119 HydrophobicContact CD1-CG 3.73Å; I22-E119 HydrophobicContact CG1-CG 4.34Å; I22-E119 WeakPolarHBondContact CG1-OE2 3.21Å
23	V	95.1	Very high	84.4	Confident	87 Å²	87	100.5 Å²	100.5	53%	0.527	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-93.4	129.4	178.8	-178.7	0	0	0	0	110.1	D21 S45 S46	D21-V23 PolarHBondContact O-N 2.83Å; V23-S45 CarbonylContact O-C 3.52Å; V23-S45 WeakPolarHBondContact O-CA 3.2Å; V23-S46 PolarHBondContact N-OG 2.88Å; V23-S46 PolarHBondContact O-N 2.82Å
24	M	97	Very high	86.1	Confident	48 Å²	48	98.1 Å²	98.1	24%	0.236	58%	0.575	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105	130.5	176.8	-53.6	-55.9	-63.3	0	0	110.6	I22 C43 R44 L49 L59 Q116	I22-M24 HydrophobicContact CG2-SD 3.88Å; M24-C43 WeakPolarHBondContact CE-SG 3.34Å; M24-R44 CarbonylContact C-O 3.53Å; M24-R44 WeakPolarHBondContact CA-O 3.26Å; M24-L49 HydrophobicContact CE-CD1 4.09Å; M24-L59 HydrophobicContact CE-CD1 3.68Å; M24-Q116 HydrophobicContact CE-CB 4.49Å; M24-Q116 HydrophobicContact CG-CG 4.36Å; M24-Q116 HydrophobicContact SD-CB 3.83Å; M24-Q116 HydrophobicContact SD-CG 3.92Å
25	T	98.2	Very high	87.7	Confident	86 Å²	86	91.9 Å²	91.9	53%	0.528	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.2	131.2	178.9	-57.1	0	0	0	0	110.6	C43 R44	T25-C43 CarbonylContact O-C 3.59Å; T25-C43 WeakPolarHBondContact O-CA 3.44Å; T25-R44 PolarHBondContact N-O 3.24Å; T25-R44 PolarHBondContact O-N 3.48Å
26	Q	98.4	Very high	89.1	Confident	47 Å²	47	87.9 Å²	87.9	22%	0.22	55%	0.549	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	148.4	-178	-73	175.5	-137.4	0	0	113	S42 C43 Y112 C114	Q26-S42 CarbonylContact C-O 3.57Å; Q26-S42 VanDerWaalsContact CA-O 3.3Å; Q26-S42 WeakPolarHBondContact CA-O 3.39Å; Q26-C43 HydrophobicContact CG-CB 4.31Å; Q26-Y112 PolarHBondContact NE2-O 2.79Å; Q26-C114 WeakPolarHBondContact CG-SG 3.41Å; Q26-C114 PolarHBondContact OE1-SG 2.55Å; Q26-C114 VanDerWaalsContact OE1-SG 3.38Å
27	T	98.4	Very high	90.8	Very high	86 Å²	86	88.5 Å²	88.5	53%	0.528	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	143.6	173.4	-107.9	0	0	0	0	112.4	S42	T27-S42 PolarHBondContact N-O 3Å; T27-S42 PolarHBondContact O-N 3.44Å
28	P	98.2	Very high	92.6	Very high	54 Å²	54	88.7 Å²	88.7	35%	0.351	53%	0.531	S	S	.	.			cis	-75.9	164.4	-9.6	34.3	-36.5	0	0	0	111.6	S30 L31	P28-S30 VanDerWaalsContact C-N 3.29Å; P28-S30 PolarHBondContact O-N 3.1Å; P28-L31 HydrophobicContact CG-CB 3.93Å; P28-L31 HydrophobicContact CG-CD1 4.09Å; P28-L31 HydrophobicContact CG-CG 4.44Å
29	L	96.2	Very high	94.2	Very high	173 Å²	173	84.6 Å²	84.6	91%	0.906	50%	0.503	S	S	*	.	S	Bend	trans	-71	-25.3	176.4	-66.3	175.9	0	0	0	113.3
30	S	97.6	Very high	95.8	Very high	101 Å²	101	82 Å²	82	71%	0.706	48%	0.484	S	S	*	.	S	Bend	trans	-145.4	134.7	174.4	-174.9	0	0	0	0	108.4	P28	P28-S30 VanDerWaalsContact C-N 3.29Å; P28-S30 PolarHBondContact O-N 3.1Å
31	L	97.1	Very high	97	Very high	75 Å²	75	76.2 Å²	76.2	39%	0.393	46%	0.458	S	S	.	.			trans	-128.7	104.4	-177.3	-177.2	59.3	0	0	0	109.3	P28 V33 A39	P28-L31 HydrophobicContact CG-CB 3.93Å; P28-L31 HydrophobicContact CG-CD1 4.09Å; P28-L31 HydrophobicContact CG-CG 4.44Å; L31-V33 HydrophobicContact CD2-CG1 4.1Å; L31-V33 HydrophobicContact CG-CG1 3.87Å; L31-A39 HydrophobicContact CD2-CB 3.92Å
32	P	97.2	Very high	97.5	Very high	120 Å²	120	72.9 Å²	72.9	78%	0.779	44%	0.444	S	S	*	.			trans	-66.5	133.8	166.3	28.3	-32.1	0	0	0	109.1
33	V	96.6	Very high	97.8	Very high	68 Å²	68	72.1 Å²	72.1	41%	0.412	44%	0.441	S	S	.	.			trans	-126.6	150.1	-175.1	-68.4	0	0	0	0	110.8	L31 A39 V104	L31-V33 HydrophobicContact CD2-CG1 4.1Å; L31-V33 HydrophobicContact CG-CG1 3.87Å; V33-A39 HydrophobicContact CG1-CB 3.85Å; V33-V104 HydrophobicContact CB-CG1 4.02Å; V33-V104 HydrophobicContact CB-CG2 4.35Å; V33-V104 HydrophobicContact CG1-CG2 4.36Å; V33-V104 HydrophobicContact CG2-CG1 3.75Å
34	T	97.6	Very high	98	Very high	93 Å²	93	75 Å²	75	57%	0.571	44%	0.442	S	S	*	.			trans	-107.2	128.9	172.2	-58	0	0	0	0	108.6	G36 E37	T34-G36 PolarHBondContact O-N 3.25Å; T34-E37 HydrophobicContact CG2-CG 4.31Å; T34-E37 WeakPolarHBondContact O-CB 3.3Å; T34-E37 PolarHBondContact O-N 2.85Å; T34-E37 VanDerWaalsContact O-N 3.16Å
35	P	97.6	Very high	98	Very high	98 Å²	98	72.9 Å²	72.9	64%	0.636	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	137.4	176.4	-27.5	35.4	0	0	0	112.3	E37 V104	P35-E37 VanDerWaalsContact C-N 3.27Å; P35-E37 PolarHBondContact O-N 3.28Å; P35-V104 CarbonylContact C-O 3.58Å; P35-V104 WeakPolarHBondContact CA-O 3.15Å
36	G	98.2	Very high	97.9	Very high	45 Å²	45	72.1 Å²	72.1	46%	0.464	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.4	-21.6	-177.6	0	0	0	0	0	115.1	T34 V104	T34-G36 PolarHBondContact O-N 3.25Å; G36-V104 PolarHBondContact N-O 2.93Å
37	E	98.5	Very high	97.8	Very high	117 Å²	117	73.3 Å²	73.3	55%	0.547	44%	0.436	S	S	.	.	S	Bend	trans	-82.3	156.2	175.9	-68.6	-64.2	152	0	0	111.5	T34 P35 V104	T34-E37 HydrophobicContact CG2-CG 4.31Å; T34-E37 WeakPolarHBondContact O-CB 3.3Å; T34-E37 PolarHBondContact O-N 2.85Å; T34-E37 VanDerWaalsContact O-N 3.16Å; P35-E37 VanDerWaalsContact C-N 3.27Å; P35-E37 PolarHBondContact O-N 3.28Å; E37-V104 WeakPolarHBondContact O-CG2 3.42Å; E37-V104 PolarHBondContact O-N 2.98Å
38	P	98.5	Very high	97.6	Very high	75 Å²	75	72.2 Å²	72.2	49%	0.487	43%	0.431	S	S	.	.			trans	-75.8	149.6	173.9	31.4	-33.6	0	0	0	111.6	I101	P38-I101 CarbonylContact C-O 3.54Å; P38-I101 WeakPolarHBondContact CA-O 3.34Å
39	A	98.5	Very high	97.6	Very high	10 Å²	10	69.6 Å²	69.6	8%	0.083	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	154.3	172	0	0	0	0	0	110.6	L31 V33 K100 I101 V104	L31-A39 HydrophobicContact CD2-CB 3.92Å; V33-A39 HydrophobicContact CG1-CB 3.85Å; A39-K100 WeakPolarHBondContact O-CA 3.31Å; A39-I101 HydrophobicContact CB-CB 4.49Å; A39-I101 PolarHBondContact N-O 3.46Å; A39-I101 PolarHBondContact O-N 2.8Å; A39-V104 HydrophobicContact CB-CG2 3.55Å
40	S	98.6	Very high	97.6	Very high	53 Å²	53	65.9 Å²	65.9	37%	0.371	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	143.1	176.9	-63.2	0	0	0	0	111.7	L99	S40-L99 CarbonylContact C-O 3.58Å; S40-L99 WeakPolarHBondContact CA-O 3.31Å
41	I	98.7	Very high	97.4	Very high	21 Å²	21	63.2 Å²	63.2	11%	0.108	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.8	177.3	-54.1	175.9	0	0	0	107	W61 T98 L99 Y112	I41-W61 HydrophobicContact CB-CH2 4.21Å; I41-W61 HydrophobicContact CB-CZ3 4.31Å; I41-W61 HydrophobicContact CG2-CH2 3.99Å; I41-W61 HydrophobicContact CG2-CZ3 4.01Å; I41-T98 CarbonylContact O-C 3.6Å; I41-T98 VanDerWaalsContact O-CA 3.32Å; I41-T98 WeakPolarHBondContact O-CA 3.29Å; I41-L99 HydrophobicContact CB-CB 4.47Å; I41-L99 HydrophobicContact CD1-CD2 4.44Å; I41-L99 PolarHBondContact N-O 2.87Å; I41-L99 PolarHBondContact O-N 2.84Å; I41-Y112 HydrophobicContact CD1-CD1 4.47Å; I41-Y112 HydrophobicContact CD1-CD2 3.82Å; I41-Y112 HydrophobicContact CD1-CG 3.73Å
42	S	98.8	Very high	97.3	Very high	56 Å²	56	64.9 Å²	64.9	39%	0.392	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	143.6	174.9	-61	0	0	0	0	110.4	Q26 T27 F97	Q26-S42 CarbonylContact C-O 3.57Å; Q26-S42 VanDerWaalsContact CA-O 3.3Å; Q26-S42 WeakPolarHBondContact CA-O 3.39Å; T27-S42 PolarHBondContact N-O 3Å; T27-S42 PolarHBondContact O-N 3.44Å; S42-F97 WeakPolarHBondContact CA-O 3.32Å
43	C	98.7	Very high	97.2	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.014	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131	173.5	173.9	0	0	0	0	108.8	M24 T25 Q26 W61 F97 C114	M24-C43 WeakPolarHBondContact CE-SG 3.34Å; T25-C43 CarbonylContact O-C 3.59Å; T25-C43 WeakPolarHBondContact O-CA 3.44Å; Q26-C43 HydrophobicContact CG-CB 4.31Å; C43-W61 HydrophobicContact CB-CH2 3.57Å; C43-W61 HydrophobicContact CB-CZ2 3.64Å; C43-F97 HydrophobicContact CB-CB 4.31Å; C43-F97 PolarHBondContact N-O 2.87Å; C43-F97 WeakPolarHBondContact O-CA 3.31Å; C43-F97 PolarHBondContact O-N 3.33Å; C43-C114 HydrophobicContact CB-CB 3.59Å; C43-C114 WeakPolarHBondContact CB-SG 3.47Å; C43-C114 WeakPolarHBondContact SG-CB 3.34Å; C43-C114 CovalentContact SG-SG 2.02Å; C43-C114 PolarHBondContact SG-SG 2.81Å
44	R	98.5	Very high	97.2	Very high	147 Å²	147	66.4 Å²	66.4	56%	0.555	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.4	176.3	-179.8	172.8	-67	148.5	2.5	110.2	M24 T25 T95 D96	M24-R44 CarbonylContact C-O 3.53Å; M24-R44 WeakPolarHBondContact CA-O 3.26Å; T25-R44 PolarHBondContact N-O 3.24Å; T25-R44 PolarHBondContact O-N 3.48Å; R44-T95 CarbonylContact C-O 3.54Å; R44-T95 WeakPolarHBondContact CA-O 3.36Å; R44-D96 IonicContact CZ-OD1 3.71Å; R44-D96 VanDerWaalsContact CZ-OD1 3.28Å; R44-D96 IonicContact NE-OD1 3.31Å; R44-D96 PolarHBondContact NE-OD1 2.91Å; R44-D96 IonicContact NH2-OD1 2.76Å; R44-D96 PolarHBondContact NH2-OD1 2.77Å
45	S	97.6	Very high	97.1	Very high	4 Å²	4	64.3 Å²	64.3	3%	0.028	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	153.7	169.5	56.9	0	0	0	0	111	V23 Q47 T95	V23-S45 CarbonylContact O-C 3.52Å; V23-S45 WeakPolarHBondContact O-CA 3.2Å; S45-Q47 VanDerWaalsContact C-N 3.27Å; S45-Q47 VanDerWaalsContact CB-O 3.31Å; S45-Q47 WeakPolarHBondContact CB-O 3.3Å; S45-Q47 PolarHBondContact OG-O 2.91Å; S45-T95 PolarHBondContact N-O 3.04Å; S45-T95 WeakPolarHBondContact O-CB 3.28Å; S45-T95 WeakPolarHBondContact OG-CA 3.44Å
46	S	96.6	Very high	97	Very high	69 Å²	69	62.5 Å²	62.5	48%	0.483	37%	0.372	S	S	.	.	S	Bend	trans	-72.5	-20.7	173	57.6	0	0	0	0	113.3	V23	V23-S46 PolarHBondContact N-OG 2.88Å; V23-S46 PolarHBondContact O-N 2.82Å
47	Q	95.3	Very high	97	Very high	72 Å²	72	61.1 Å²	61.1	34%	0.336	36%	0.355	S	S	.	.	S	Bend	trans	-136.1	161.9	-178.3	-53.1	-171.6	49.9	0	0	110.9	E20 I22 S45 L49	E20-Q47 PolarHBondContact O-NE2 3.49Å; E20-Q47 VanDerWaalsContact O-NE2 3.09Å; I22-Q47 HydrophobicContact CG1-CB 4.16Å; I22-Q47 HydrophobicContact CG1-CG 4.16Å; S45-Q47 VanDerWaalsContact C-N 3.27Å; S45-Q47 VanDerWaalsContact CB-O 3.31Å; S45-Q47 WeakPolarHBondContact CB-O 3.3Å; S45-Q47 PolarHBondContact OG-O 2.91Å; Q47-L49 PolarHBondContact O-N 2.95Å
48	S	95.8	Very high	96.9	Very high	63 Å²	63	57.5 Å²	57.5	44%	0.441	34%	0.336	S	S	.	.			trans	-61.9	133	175.5	178.6	0	0	0	0	110.8	L50 G94	S48-L50 VanDerWaalsContact C-N 3.34Å; S48-L50 PolarHBondContact OG-N 2.91Å; S48-G94 WeakPolarHBondContact CA-O 3.43Å
49	L	96.6	Very high	96.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.313	C	S	.	.			trans	-96.1	13.8	175.5	-54.6	-172.5	0	0	0	113.7	I22 M24 Q47 T57 Y58 L59 G94 F97 Q116 I118	I22-L49 HydrophobicContact CD1-CD2 4.14Å; I22-L49 HydrophobicContact CG2-CD2 4.08Å; M24-L49 HydrophobicContact CE-CD1 4.09Å; Q47-L49 PolarHBondContact O-N 2.95Å; L49-T57 HydrophobicContact CB-CG2 4.12Å; L49-T57 CarbonylContact O-C 3.57Å; L49-T57 VanDerWaalsContact O-CA 3.28Å; L49-T57 WeakPolarHBondContact O-CA 3.35Å; L49-Y58 PolarHBondContact O-N 2.73Å; L49-L59 HydrophobicContact CD1-CB 4.06Å; L49-L59 HydrophobicContact CD1-CD1 3.62Å; L49-L59 HydrophobicContact CD1-CG 4.48Å; L49-G94 PolarHBondContact N-O 3.16Å; L49-F97 HydrophobicContact CB-CE2 4.42Å; L49-F97 HydrophobicContact CB-CZ 3.97Å; L49-F97 HydrophobicContact CD1-CD2 4.42Å; L49-F97 HydrophobicContact CD1-CE2 3.58Å; L49-F97 HydrophobicContact CD1-CZ 3.91Å; L49-F97 HydrophobicContact CG-CE2 3.91Å; L49-F97 HydrophobicContact CG-CZ 3.97Å; L49-Q116 HydrophobicContact CD1-CB 3.72Å; L49-Q116 HydrophobicContact CD2-CB 3.58Å; L49-Q116 HydrophobicContact CD2-CG 4.4Å; L49-Q116 HydrophobicContact CG-CB 4.3Å; L49-I118 HydrophobicContact CB-CG1 4.29Å; L49-I118 HydrophobicContact CD2-CG1 4.12Å
50	L	96.8	Very high	96.9	Very high	95 Å²	95	53.8 Å²	53.8	50%	0.497	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-81.8	117.6	174.8	-178.1	69	0	0	0	109.5	S48 G55	S48-L50 VanDerWaalsContact C-N 3.34Å; S48-L50 PolarHBondContact OG-N 2.91Å; L50-G55 WeakPolarHBondContact CD1-O 3.21Å
51	D	94.6	Very high	96.9	Very high	44 Å²	44	51.2 Å²	51.2	24%	0.235	29%	0.293	C	S	.	.			trans	-75.9	135.1	172.6	-177	-82.2	0	0	0	110.8	D53 D54 G55 N56 Y58 I118	D51-D53 WeakPolarHBondContact OD1-CA 3.36Å; D51-D53 WeakPolarHBondContact OD1-CB 3.45Å; D51-D53 PolarHBondContact OD1-N 2.02Å; D51-D54 WeakPolarHBondContact CB-OD1 3.06Å; D51-D54 PolarHBondContact OD1-N 3.32Å; D51-D54 VanDerWaalsContact OD1-N 3.1Å; D51-G55 WeakPolarHBondContact O-CA 3.37Å; D51-G55 PolarHBondContact O-N 3.38Å; D51-N56 PolarHBondContact N-O 2.79Å; D51-Y58 HydrophobicContact CB-CD2 3.6Å; D51-Y58 HydrophobicContact CB-CE2 3.43Å; D51-Y58 VanDerWaalsContact CB-CE2 3.43Å; D51-I118 HydrophobicContact CB-CD1 4.2Å
52	S	94.2	Very high	96.9	Very high	111 Å²	111	53 Å²	53	78%	0.776	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-22.6	-175.8	53.5	0	0	0	0	113.8
53	D	95.1	Very high	96.9	Very high	149 Å²	149	51.1 Å²	51.1	80%	0.797	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-38	-170.2	-64.4	-11	0	0	0	110.7	D51	D51-D53 WeakPolarHBondContact OD1-CA 3.36Å; D51-D53 WeakPolarHBondContact OD1-CB 3.45Å; D51-D53 PolarHBondContact OD1-N 2.02Å
54	D	95.9	Very high	96.9	Very high	70 Å²	70	53.8 Å²	53.8	37%	0.374	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-9	179.6	72.2	8.3	0	0	0	115	D51 N56 Y58	D51-D54 WeakPolarHBondContact CB-OD1 3.06Å; D51-D54 PolarHBondContact OD1-N 3.32Å; D51-D54 VanDerWaalsContact OD1-N 3.1Å; D54-N56 PolarHBondContact O-N 2.76Å; D54-N56 WeakPolarHBondContact OD1-CB 3.46Å; D54-N56 PolarHBondContact OD1-N 3.31Å; D54-N56 PolarHBondContact OD1-ND2 2.87Å; D54-N56 PolarHBondContact OD2-ND2 3.46Å; D54-Y58 PolarHBondContact OD2-OH 2.82Å
55	G	95.7	Very high	96.8	Very high	49 Å²	49	49.8 Å²	49.8	51%	0.505	28%	0.283	S	S	.	.			trans	71.1	14.5	-179.1	0	0	0	0	0	114.1	L50 D51	L50-G55 WeakPolarHBondContact CD1-O 3.21Å; D51-G55 WeakPolarHBondContact O-CA 3.37Å; D51-G55 PolarHBondContact O-N 3.38Å
56	N	96.8	Very high	96.8	Very high	60 Å²	60	54.5 Å²	54.5	32%	0.321	31%	0.314	S	S	.	.			trans	-88.5	149.2	178	-68.4	-48.3	0	0	0	111.5	D51 D54 Y58 T76	D51-N56 PolarHBondContact N-O 2.79Å; D54-N56 PolarHBondContact O-N 2.76Å; D54-N56 WeakPolarHBondContact OD1-CB 3.46Å; D54-N56 PolarHBondContact OD1-N 3.31Å; D54-N56 PolarHBondContact OD1-ND2 2.87Å; D54-N56 PolarHBondContact OD2-ND2 3.46Å; N56-Y58 HydrophobicContact CB-CD2 4.5Å; N56-Y58 HydrophobicContact CB-CE2 4Å; N56-T76 HydrophobicContact CB-CG2 3.92Å
57	T	97.8	Very high	96.8	Very high	17 Å²	17	55.7 Å²	55.7	10%	0.104	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-95.6	116	171.3	-63	0	0	0	0	110	L49 L59 T76 L77 F97	L49-T57 HydrophobicContact CB-CG2 4.12Å; L49-T57 CarbonylContact O-C 3.57Å; L49-T57 VanDerWaalsContact O-CA 3.28Å; L49-T57 WeakPolarHBondContact O-CA 3.35Å; T57-L59 HydrophobicContact CG2-CB 4.43Å; T57-L59 PolarHBondContact O-N 2.92Å; T57-L59 VanDerWaalsContact O-N 3.17Å; T57-T76 CarbonylContact O-C 3.31Å; T57-T76 VanDerWaalsContact O-C 3.31Å; T57-T76 VanDerWaalsContact O-CA 3.31Å; T57-T76 WeakPolarHBondContact O-CA 3.49Å; T57-L77 HydrophobicContact CG2-CB 4.12Å; T57-L77 HydrophobicContact CG2-CD1 4.27Å; T57-L77 HydrophobicContact CG2-CD2 4.25Å; T57-L77 HydrophobicContact CG2-CG 4.46Å; T57-L77 PolarHBondContact O-N 2.94Å; T57-F97 HydrophobicContact CG2-CE1 3.58Å; T57-F97 HydrophobicContact CG2-CZ 3.95Å
58	Y	96.6	Very high	96.9	Very high	40 Å²	40	56.6 Å²	56.6	16%	0.157	34%	0.341	C	S	.	.			trans	-92.5	68.5	-175.3	-75	-74	0	0	0	112.4	L49 D51 D54 N56 Q116 R117 I118	L49-Y58 PolarHBondContact O-N 2.73Å; D51-Y58 HydrophobicContact CB-CD2 3.6Å; D51-Y58 HydrophobicContact CB-CE2 3.43Å; D51-Y58 VanDerWaalsContact CB-CE2 3.43Å; D54-Y58 PolarHBondContact OD2-OH 2.82Å; N56-Y58 HydrophobicContact CB-CD2 4.5Å; N56-Y58 HydrophobicContact CB-CE2 4Å; Y58-Q116 WeakPolarHBondContact O-CA 3.21Å; Y58-R117 VanDerWaalsContact CD1-CZ 3.42Å; Y58-R117 VanDerWaalsContact CD1-NH2 3.28Å; Y58-R117 VanDerWaalsContact CE1-NH1 3.28Å; Y58-R117 PolarHBondContact O-N 3.04Å; Y58-I118 HydrophobicContact CD2-CD1 3.64Å; Y58-I118 HydrophobicContact CG-CD1 4.06Å
59	L	98.2	Very high	97	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.8	170.3	-176.5	87.5	0	0	0	109.8	M24 L49 T57 T76 L77 F97 C114	M24-L59 HydrophobicContact CE-CD1 3.68Å; L49-L59 HydrophobicContact CD1-CB 4.06Å; L49-L59 HydrophobicContact CD1-CD1 3.62Å; L49-L59 HydrophobicContact CD1-CG 4.48Å; T57-L59 HydrophobicContact CG2-CB 4.43Å; T57-L59 PolarHBondContact O-N 2.92Å; T57-L59 VanDerWaalsContact O-N 3.17Å; L59-T76 PolarHBondContact O-N 2.95Å; L59-L77 HydrophobicContact CD2-CD1 4.4Å; L59-L77 PolarHBondContact O-N 2.89Å; L59-F97 HydrophobicContact CD1-CD2 3.91Å; L59-F97 HydrophobicContact CD1-CE2 4.27Å; L59-F97 HydrophobicContact CD1-CG 4.29Å; L59-F97 HydrophobicContact CD2-CB 3.42Å; L59-F97 VanDerWaalsContact CD2-CB 3.42Å; L59-F97 HydrophobicContact CD2-CD1 3.84Å; L59-F97 HydrophobicContact CD2-CD2 3.96Å; L59-F97 HydrophobicContact CD2-CG 3.46Å; L59-F97 VanDerWaalsContact CD2-CG 3.46Å; L59-F97 HydrophobicContact CG-CD2 4.46Å; L59-F97 HydrophobicContact CG-CG 4.37Å; L59-C114 HydrophobicContact CD1-CB 4.16Å
60	D	98.3	Very high	97	Very high	7 Å²	7	60.7 Å²	60.7	4%	0.037	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	142.4	176	-60.2	-19	0	0	0	109.7	Y62 L72 I74 Y75 T76 C114 M115 R117	D60-Y62 HydrophobicContact CB-CE2 3.74Å; D60-L72 HydrophobicContact CB-CD1 4.06Å; D60-I74 CarbonylContact C-O 3.48Å; D60-I74 VanDerWaalsContact CA-O 3.28Å; D60-I74 WeakPolarHBondContact CA-O 3.4Å; D60-Y75 WeakPolarHBondContact OD1-CA 3.01Å; D60-Y75 WeakPolarHBondContact OD1-CB 2.99Å; D60-T76 PolarHBondContact OD1-N 3.19Å; D60-C114 CarbonylContact O-C 3.54Å; D60-C114 WeakPolarHBondContact O-CA 3.17Å; D60-M115 PolarHBondContact N-O 3.04Å; D60-M115 PolarHBondContact O-N 3.43Å; D60-R117 IonicContact OD2-CZ 3.99Å; D60-R117 IonicContact OD2-NE 3.04Å; D60-R117 PolarHBondContact OD2-NE 2.89Å
61	W	98.7	Very high	97.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.6	172.1	-72.2	92.2	0	0	0	109.9	I41 C43 L73 I74 L99 Y113 C114	I41-W61 HydrophobicContact CB-CH2 4.21Å; I41-W61 HydrophobicContact CB-CZ3 4.31Å; I41-W61 HydrophobicContact CG2-CH2 3.99Å; I41-W61 HydrophobicContact CG2-CZ3 4.01Å; C43-W61 HydrophobicContact CB-CH2 3.57Å; C43-W61 HydrophobicContact CB-CZ2 3.64Å; W61-L73 HydrophobicContact CB-CB 4.4Å; W61-L73 HydrophobicContact CB-CD2 4.48Å; W61-L73 WeakPolarHBondContact O-CA 3.33Å; W61-L73 VanDerWaalsContact O-CB 3.31Å; W61-L73 WeakPolarHBondContact O-CB 3.31Å; W61-L73 PolarHBondContact O-N 2.8Å; W61-I74 HydrophobicContact CB-CB 4.15Å; W61-I74 PolarHBondContact N-O 3.22Å; W61-I74 PolarHBondContact O-N 3.39Å; W61-L99 HydrophobicContact CB-CD1 4.49Å; W61-L99 HydrophobicContact CD2-CB 3.67Å; W61-L99 HydrophobicContact CD2-CD1 4.37Å; W61-L99 HydrophobicContact CD2-CD2 4.08Å; W61-L99 HydrophobicContact CD2-CG 4.27Å; W61-L99 HydrophobicContact CE3-CB 3.86Å; W61-L99 HydrophobicContact CE3-CD2 3.8Å; W61-L99 HydrophobicContact CE3-CG 4.38Å; W61-L99 HydrophobicContact CG-CB 4.31Å; W61-L99 HydrophobicContact CG-CD1 4.17Å; W61-L99 HydrophobicContact CG-CD2 4.46Å; W61-L99 HydrophobicContact CH2-CB 3.77Å; W61-L99 HydrophobicContact CZ2-CB 3.61Å; W61-L99 HydrophobicContact CZ3-CB 3.9Å; W61-L99 HydrophobicContact CZ3-CD2 4.25Å; W61-Y113 CarbonylContact C-O 3.58Å; W61-Y113 VanDerWaalsContact CA-O 3.31Å; W61-Y113 WeakPolarHBondContact CA-O 3.4Å; W61-C114 HydrophobicContact CD2-CB 4.04Å; W61-C114 HydrophobicContact CE3-CB 3.86Å; W61-C114 HydrophobicContact CH2-CB 3.87Å; W61-C114 HydrophobicContact CZ2-CB 3.99Å; W61-C114 HydrophobicContact CZ3-CB 3.79Å
62	Y	98.6	Very high	97.3	Very high	59 Å²	59	62.3 Å²	62.3	23%	0.231	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.6	176.6	-64	-97.8	0	0	0	110.6	D60 Q71 L72 Y112 Y113 M115	D60-Y62 HydrophobicContact CB-CE2 3.74Å; Y62-Q71 CarbonylContact C-O 3.55Å; Y62-Q71 WeakPolarHBondContact CA-O 3.39Å; Y62-L72 HydrophobicContact CD1-CB 4.31Å; Y62-L72 HydrophobicContact CD1-CD1 4.32Å; Y62-L72 HydrophobicContact CE1-CB 4.04Å; Y62-L72 HydrophobicContact CE1-CD1 3.78Å; Y62-L72 HydrophobicContact CE2-CD1 4.21Å; Y62-Y112 CarbonylContact O-C 3.58Å; Y62-Y112 VanDerWaalsContact O-CA 3.3Å; Y62-Y112 WeakPolarHBondContact O-CA 3.29Å; Y62-Y113 PolarHBondContact N-O 2.81Å; Y62-Y113 PolarHBondContact O-N 3.48Å; Y62-M115 HydrophobicContact CD2-CB 4.36Å; Y62-M115 HydrophobicContact CE2-CB 4.02Å; Y62-M115 HydrophobicContact CE2-SD 4.3Å
63	L	98.5	Very high	97.5	Very high	15 Å²	15	57.4 Å²	57.4	8%	0.079	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126	171.2	172.4	55.8	0	0	0	109.4	K65 Q71 Y112	L63-K65 HydrophobicContact CD2-CG 4.41Å; L63-K65 HydrophobicContact CG-CG 4.26Å; L63-Q71 PolarHBondContact N-O 2.81Å; L63-Q71 PolarHBondContact O-N 2.8Å; L63-Y112 HydrophobicContact CB-CD1 4.29Å; L63-Y112 HydrophobicContact CB-CE1 4.09Å; L63-Y112 HydrophobicContact CD1-CD1 4.11Å; L63-Y112 HydrophobicContact CD1-CD2 4.06Å; L63-Y112 HydrophobicContact CD1-CE1 3.76Å; L63-Y112 HydrophobicContact CD1-CE2 3.68Å; L63-Y112 HydrophobicContact CD1-CG 4.27Å; L63-Y112 HydrophobicContact CD2-CE1 4.21Å; L63-Y112 HydrophobicContact CG-CE1 4.23Å
64	Q	98.5	Very high	97.7	Very high	58 Å²	58	50.3 Å²	50.3	27%	0.271	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	108.8	170.5	-171	175	15.9	0	0	110.3	Q68 P70 G110 V111 Y113	Q64-Q68 VanDerWaalsContact CG-O 3.26Å; Q64-Q68 WeakPolarHBondContact CG-O 3.31Å; Q64-Q68 PolarHBondContact NE2-O 2.85Å; Q64-P70 HydrophobicContact CB-CB 4.41Å; Q64-P70 HydrophobicContact CB-CG 4.23Å; Q64-P70 HydrophobicContact CG-CG 4.23Å; Q64-G110 CarbonylContact O-C 3.52Å; Q64-G110 VanDerWaalsContact O-CA 3.31Å; Q64-G110 WeakPolarHBondContact O-CA 3.31Å; Q64-V111 PolarHBondContact N-O 3.39Å; Q64-V111 PolarHBondContact O-N 2.86Å; Q64-Y113 HydrophobicContact CB-CE2 3.88Å; Q64-Y113 PolarHBondContact OE1-OH 3.1Å
65	K	97.2	Very high	97.8	Very high	63 Å²	63	51.3 Å²	51.3	27%	0.274	30%	0.3	S	S	.	.			trans	-78.5	155.5	172.7	-61.3	-168	-175.5	-157.7	0	110.6	L63 G67 Q68 E107	L63-K65 HydrophobicContact CD2-CG 4.41Å; L63-K65 HydrophobicContact CG-CG 4.26Å; K65-G67 PolarHBondContact O-N 2.8Å; K65-Q68 HydrophobicContact CB-CB 4.34Å; K65-Q68 HydrophobicContact CB-CG 4.26Å; K65-Q68 PolarHBondContact O-N 2.95Å; K65-E107 WeakPolarHBondContact CE-O 3.2Å; K65-E107 PolarHBondContact NZ-O 2.81Å
66	P	96.2	Very high	97.9	Very high	104 Å²	104	49.9 Å²	49.9	68%	0.675	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	127.3	177.3	-27.7	35.3	0	0	0	112.4	Q68	P66-Q68 PolarHBondContact O-N 2.86Å
67	G	96.9	Very high	97.9	Very high	94 Å²	94	48.3 Å²	48.3	97%	0.969	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	5.5	179.4	0	0	0	0	0	115.7	K65	K65-G67 PolarHBondContact O-N 2.8Å
68	Q	97.3	Very high	97.9	Very high	90 Å²	90	50.4 Å²	50.4	42%	0.421	29%	0.288	S	S	.	.	S	Bend	trans	-110.4	161.2	177.1	-58.9	-172	9.5	0	0	111.3	Q64 K65 P66	Q64-Q68 VanDerWaalsContact CG-O 3.26Å; Q64-Q68 WeakPolarHBondContact CG-O 3.31Å; Q64-Q68 PolarHBondContact NE2-O 2.85Å; K65-Q68 HydrophobicContact CB-CB 4.34Å; K65-Q68 HydrophobicContact CB-CG 4.26Å; K65-Q68 PolarHBondContact O-N 2.95Å; P66-Q68 PolarHBondContact O-N 2.86Å
69	S	97.7	Very high	98	Very high	84 Å²	84	54.6 Å²	54.6	59%	0.587	31%	0.305	S	S	*	.			trans	-73.1	156.1	166.6	56.8	0	0	0	0	110.7	Q71	S69-Q71 PolarHBondContact O-N 2.9Å
70	P	97.8	Very high	98.1	Very high	65 Å²	65	59.8 Å²	59.8	42%	0.422	32%	0.324	S	S	.	.			trans	-55.2	135.7	170.1	-23.9	34	0	0	0	111.5	Q64	Q64-P70 HydrophobicContact CB-CB 4.41Å; Q64-P70 HydrophobicContact CB-CG 4.23Å; Q64-P70 HydrophobicContact CG-CG 4.23Å
71	Q	98.2	Very high	98.1	Very high	105 Å²	105	60.3 Å²	60.3	49%	0.491	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	141.2	175.8	-64.2	-177.1	33.3	0	0	110	Y62 L63 S69 L73	Y62-Q71 CarbonylContact C-O 3.55Å; Y62-Q71 WeakPolarHBondContact CA-O 3.39Å; L63-Q71 PolarHBondContact N-O 2.81Å; L63-Q71 PolarHBondContact O-N 2.8Å; S69-Q71 PolarHBondContact O-N 2.9Å; Q71-L73 PolarHBondContact O-N 2.79Å
72	L	98.5	Very high	98	Very high	68 Å²	68	66.5 Å²	66.5	36%	0.356	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	127.7	176.6	-175.9	66.6	0	0	0	109.9	D60 Y62 Y75 A81	D60-L72 HydrophobicContact CB-CD1 4.06Å; Y62-L72 HydrophobicContact CD1-CB 4.31Å; Y62-L72 HydrophobicContact CD1-CD1 4.32Å; Y62-L72 HydrophobicContact CE1-CB 4.04Å; Y62-L72 HydrophobicContact CE1-CD1 3.78Å; Y62-L72 HydrophobicContact CE2-CD1 4.21Å; L72-Y75 HydrophobicContact CD2-CD1 4.24Å; L72-Y75 HydrophobicContact CD2-CG 4.49Å; L72-A81 HydrophobicContact CB-CB 4.37Å; L72-A81 HydrophobicContact CD2-CB 4.24Å; L72-A81 HydrophobicContact CG-CB 4.11Å; L72-A81 VanDerWaalsContact O-CB 3.31Å; L72-A81 WeakPolarHBondContact O-CB 3.21Å
73	L	98.6	Very high	98	Very high	9 Å²	9	67.8 Å²	67.8	5%	0.047	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-55.4	-178.5	-174	74.2	0	0	0	110.8	W61 Q71 A81 V84 F88 L99 Y112	W61-L73 HydrophobicContact CB-CB 4.4Å; W61-L73 HydrophobicContact CB-CD2 4.48Å; W61-L73 WeakPolarHBondContact O-CA 3.33Å; W61-L73 VanDerWaalsContact O-CB 3.31Å; W61-L73 WeakPolarHBondContact O-CB 3.31Å; W61-L73 PolarHBondContact O-N 2.8Å; Q71-L73 PolarHBondContact O-N 2.79Å; L73-A81 PolarHBondContact O-N 2.86Å; L73-V84 HydrophobicContact CD1-CB 4.44Å; L73-V84 HydrophobicContact CD1-CG1 3.58Å; L73-V84 HydrophobicContact CD1-CG2 3.98Å; L73-V84 HydrophobicContact CG-CG1 4.19Å; L73-V84 WeakPolarHBondContact O-CG2 3.46Å; L73-F88 HydrophobicContact CD1-CD1 4.06Å; L73-F88 HydrophobicContact CD1-CD2 4.35Å; L73-F88 HydrophobicContact CD1-CE1 4.22Å; L73-F88 HydrophobicContact CD1-CG 4.12Å; L73-F88 HydrophobicContact CD1-CZ 4.44Å; L73-F88 HydrophobicContact CD2-CD1 3.77Å; L73-F88 HydrophobicContact CD2-CE1 4.11Å; L73-F88 HydrophobicContact CD2-CG 4.45Å; L73-F88 HydrophobicContact CG-CD1 4.28Å; L73-F88 HydrophobicContact CG-CG 4.5Å; L73-L99 HydrophobicContact CD2-CD1 3.92Å; L73-L99 HydrophobicContact CD2-CD2 3.86Å; L73-Y112 HydrophobicContact CD2-CD1 4.01Å; L73-Y112 HydrophobicContact CD2-CE1 3.73Å
74	I	98.8	Very high	98	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140	178.2	-57.2	-172.8	0	0	0	107.6	D60 W61 Y79 R80 F88 L99	D60-I74 CarbonylContact C-O 3.48Å; D60-I74 VanDerWaalsContact CA-O 3.28Å; D60-I74 WeakPolarHBondContact CA-O 3.4Å; W61-I74 HydrophobicContact CB-CB 4.15Å; W61-I74 PolarHBondContact N-O 3.22Å; W61-I74 PolarHBondContact O-N 3.39Å; I74-Y79 CarbonylContact C-O 3.43Å; I74-Y79 WeakPolarHBondContact CA-O 3.44Å; I74-Y79 WeakPolarHBondContact CG2-O 3.31Å; I74-R80 HydrophobicContact CG1-CG 4.47Å; I74-F88 HydrophobicContact CD1-CB 4.41Å; I74-L99 HydrophobicContact CD1-CD1 3.51Å; I74-L99 HydrophobicContact CG1-CD1 4.3Å
75	Y	98.4	Very high	98	Very high	90 Å²	90	67.7 Å²	67.7	35%	0.353	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	158.7	174.8	68	-84.2	0	0	0	111.1	D60 L72 L77 S78 Y79	D60-Y75 WeakPolarHBondContact OD1-CA 3.01Å; D60-Y75 WeakPolarHBondContact OD1-CB 2.99Å; L72-Y75 HydrophobicContact CD2-CD1 4.24Å; L72-Y75 HydrophobicContact CD2-CG 4.49Å; Y75-L77 VanDerWaalsContact C-N 3.27Å; Y75-L77 PolarHBondContact O-N 3.36Å; Y75-S78 PolarHBondContact O-N 3.07Å; Y75-Y79 VanDerWaalsContact CD1-O 3.29Å; Y75-Y79 WeakPolarHBondContact CD1-O 3.39Å; Y75-Y79 HydrophobicContact CE2-CD2 4.32Å; Y75-Y79 HydrophobicContact CE2-CG 4.08Å; Y75-Y79 PolarHBondContact N-O 3.47Å; Y75-Y79 WeakPolarHBondContact O-CB 3.2Å; Y75-Y79 PolarHBondContact O-N 3.11Å
76	T	97.6	Very high	98	Very high	19 Å²	19	70.8 Å²	70.8	12%	0.117	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	56.3	-179.1	-54.7	0	0	0	0	110.4	N56 T57 L59 D60 S78 Y79 R117	N56-T76 HydrophobicContact CB-CG2 3.92Å; T57-T76 CarbonylContact O-C 3.31Å; T57-T76 VanDerWaalsContact O-C 3.31Å; T57-T76 VanDerWaalsContact O-CA 3.31Å; T57-T76 WeakPolarHBondContact O-CA 3.49Å; L59-T76 PolarHBondContact O-N 2.95Å; D60-T76 PolarHBondContact OD1-N 3.19Å; T76-S78 PolarHBondContact O-N 2.94Å; T76-Y79 HydrophobicContact CG2-CD2 4.21Å; T76-Y79 HydrophobicContact CG2-CE2 4.1Å; T76-Y79 WeakPolarHBondContact O-CD2 3.32Å; T76-R117 PolarHBondContact OG1-NH2 2.88Å
77	L	98.3	Very high	98.1	Very high	28 Å²	28	66.7 Å²	66.7	15%	0.147	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	-45	178.7	-178.9	65.7	0	0	0	116.7	T57 L59 Y75 G90 G92 F97	T57-L77 HydrophobicContact CG2-CB 4.12Å; T57-L77 HydrophobicContact CG2-CD1 4.27Å; T57-L77 HydrophobicContact CG2-CD2 4.25Å; T57-L77 HydrophobicContact CG2-CG 4.46Å; T57-L77 PolarHBondContact O-N 2.94Å; L59-L77 HydrophobicContact CD2-CD1 4.4Å; L59-L77 PolarHBondContact O-N 2.89Å; Y75-L77 VanDerWaalsContact C-N 3.27Å; Y75-L77 PolarHBondContact O-N 3.36Å; L77-G90 CarbonylContact O-C 3.24Å; L77-G90 VanDerWaalsContact O-C 3.24Å; L77-G90 VanDerWaalsContact O-CA 3.23Å; L77-G90 WeakPolarHBondContact O-CA 3.45Å; L77-G92 WeakPolarHBondContact CD2-O 3.39Å; L77-F97 HydrophobicContact CD1-CD1 3.64Å; L77-F97 HydrophobicContact CD1-CE1 4.09Å
78	S	98.3	Very high	98.2	Very high	60 Å²	60	62.4 Å²	62.4	42%	0.42	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.6	-6.7	-165.8	65.4	0	0	0	0	115.8	Y75 T76	Y75-S78 PolarHBondContact O-N 3.07Å; T76-S78 PolarHBondContact O-N 2.94Å
79	Y	98.4	Very high	98.3	Very high	128 Å²	128	60.1 Å²	60.1	50%	0.502	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	125.4	179.5	-62.8	-85.6	0	0	0	110.9	I74 Y75 T76	I74-Y79 CarbonylContact C-O 3.43Å; I74-Y79 WeakPolarHBondContact CA-O 3.44Å; I74-Y79 WeakPolarHBondContact CG2-O 3.31Å; Y75-Y79 VanDerWaalsContact CD1-O 3.29Å; Y75-Y79 WeakPolarHBondContact CD1-O 3.39Å; Y75-Y79 HydrophobicContact CE2-CD2 4.32Å; Y75-Y79 HydrophobicContact CE2-CG 4.08Å; Y75-Y79 PolarHBondContact N-O 3.47Å; Y75-Y79 WeakPolarHBondContact O-CB 3.2Å; Y75-Y79 PolarHBondContact O-N 3.11Å; T76-Y79 HydrophobicContact CG2-CD2 4.21Å; T76-Y79 HydrophobicContact CG2-CE2 4.1Å; T76-Y79 WeakPolarHBondContact O-CD2 3.32Å
80	R	98.6	Very high	98.3	Very high	109 Å²	109	56.6 Å²	56.6	41%	0.411	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	137	175.7	-78.1	175.2	-68.4	-79.1	-8.2	110.8	I74 V84 P85 F88	I74-R80 HydrophobicContact CG1-CG 4.47Å; R80-V84 HydrophobicContact CB-CB 4.13Å; R80-V84 HydrophobicContact CB-CG1 4.24Å; R80-V84 HydrophobicContact CG-CB 4.39Å; R80-V84 HydrophobicContact CG-CG1 3.96Å; R80-P85 VanDerWaalsContact CD-O 3.29Å; R80-P85 WeakPolarHBondContact CD-O 3.31Å; R80-F88 WeakPolarHBondContact CD-O 3.4Å; R80-F88 PolarHBondContact NH1-O 2.77Å
81	A	98.5	Very high	98.4	Very high	18 Å²	18	56.3 Å²	56.3	15%	0.149	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-65.1	160	168.6	0	0	0	0	0	111.3	L72 L73 G83 V84	L72-A81 HydrophobicContact CB-CB 4.37Å; L72-A81 HydrophobicContact CD2-CB 4.24Å; L72-A81 HydrophobicContact CG-CB 4.11Å; L72-A81 VanDerWaalsContact O-CB 3.31Å; L72-A81 WeakPolarHBondContact O-CB 3.21Å; L73-A81 PolarHBondContact O-N 2.86Å; A81-G83 PolarHBondContact O-N 3.19Å; A81-V84 HydrophobicContact CB-CG2 3.97Å; A81-V84 WeakPolarHBondContact O-CB 3.41Å; A81-V84 WeakPolarHBondContact O-CG2 3.34Å; A81-V84 PolarHBondContact O-N 3.19Å; A81-V84 VanDerWaalsContact O-N 3.1Å
82	S	98.1	Very high	98.3	Very high	131 Å²	131	53 Å²	53	92%	0.916	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	129.7	179.4	-62.7	0	0	0	0	112	V84	S82-V84 VanDerWaalsContact C-N 3.29Å; S82-V84 PolarHBondContact O-N 2.98Å
83	G	97.7	Very high	98.2	Very high	85 Å²	85	54 Å²	54	88%	0.876	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-3.5	179.9	0	0	0	0	0	115	A81 P85	A81-G83 PolarHBondContact O-N 3.19Å; G83-P85 WeakPolarHBondContact O-CD 3.31Å
84	V	98.2	Very high	98.1	Very high	26 Å²	26	55 Å²	55	16%	0.158	34%	0.344	C	S	.	.			trans	-75.9	125.3	175.6	174.7	0	0	0	0	110.1	L73 R80 A81 S82 F88	L73-V84 HydrophobicContact CD1-CB 4.44Å; L73-V84 HydrophobicContact CD1-CG1 3.58Å; L73-V84 HydrophobicContact CD1-CG2 3.98Å; L73-V84 HydrophobicContact CG-CG1 4.19Å; L73-V84 WeakPolarHBondContact O-CG2 3.46Å; R80-V84 HydrophobicContact CB-CB 4.13Å; R80-V84 HydrophobicContact CB-CG1 4.24Å; R80-V84 HydrophobicContact CG-CB 4.39Å; R80-V84 HydrophobicContact CG-CG1 3.96Å; A81-V84 HydrophobicContact CB-CG2 3.97Å; A81-V84 WeakPolarHBondContact O-CB 3.41Å; A81-V84 WeakPolarHBondContact O-CG2 3.34Å; A81-V84 PolarHBondContact O-N 3.19Å; A81-V84 VanDerWaalsContact O-N 3.1Å; S82-V84 VanDerWaalsContact C-N 3.29Å; S82-V84 PolarHBondContact O-N 2.98Å; V84-F88 HydrophobicContact CG1-CB 3.88Å; V84-F88 HydrophobicContact CG1-CD2 3.86Å; V84-F88 HydrophobicContact CG1-CG 4.07Å
85	P	98.3	Very high	98	Very high	46 Å²	46	57.3 Å²	57.3	30%	0.299	36%	0.358	S	S	.	.			trans	-58.4	149.9	179.4	-28.9	37.9	0	0	0	114	R80 G83 R87 F88	R80-P85 VanDerWaalsContact CD-O 3.29Å; R80-P85 WeakPolarHBondContact CD-O 3.31Å; G83-P85 WeakPolarHBondContact O-CD 3.31Å; P85-R87 HydrophobicContact CB-CG 3.64Å; P85-R87 PolarHBondContact O-N 3.12Å; P85-F88 HydrophobicContact CB-CD2 4.11Å; P85-F88 HydrophobicContact CB-CE2 4.34Å; P85-F88 HydrophobicContact CG-CD2 4.38Å; P85-F88 HydrophobicContact CG-CE2 4.25Å; P85-F88 PolarHBondContact O-N 2.84Å; P85-F88 VanDerWaalsContact O-N 3.11Å
86	D	98	Very high	98	Very high	127 Å²	127	56.5 Å²	56.5	68%	0.679	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.9	179.2	67.6	-14.8	0	0	0	114	F88	D86-F88 PolarHBondContact O-N 2.75Å
87	R	98.3	Very high	98.1	Very high	19 Å²	19	55.7 Å²	55.7	7%	0.072	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.6	171.2	56.6	164.4	-173	-89.8	7.4	113.4	P85 I101 S102 R103 E105 E107 D108	P85-R87 HydrophobicContact CB-CG 3.64Å; P85-R87 PolarHBondContact O-N 3.12Å; R87-I101 CarbonylContact O-C 3.56Å; R87-I101 WeakPolarHBondContact O-CA 3.11Å; R87-S102 WeakPolarHBondContact CA-OG 3.43Å; R87-S102 WeakPolarHBondContact CB-OG 3.49Å; R87-S102 PolarHBondContact O-N 2.62Å; R87-S102 PolarHBondContact O-OG 3.17Å; R87-R103 WeakPolarHBondContact CD-O 3.38Å; R87-E105 VanDerWaalsContact CZ-CD 3.43Å; R87-E105 IonicContact CZ-OE1 3.32Å; R87-E105 IonicContact CZ-OE2 3.86Å; R87-E105 IonicContact NH1-OE1 3.2Å; R87-E105 PolarHBondContact NH1-OE1 3.46Å; R87-E105 IonicContact NH1-OE2 3.69Å; R87-E105 PolarHBondContact NH1-OE2 3.09Å; R87-E105 IonicContact NH2-OE2 2.87Å; R87-E105 PolarHBondContact NH2-OE2 3.46Å; R87-E107 IonicContact CZ-OE1 3.98Å; R87-E107 IonicContact NH1-OE1 3.46Å; R87-E107 IonicContact NH2-OE1 3.61Å; R87-E107 PolarHBondContact NH2-OE1 2.87Å; R87-D108 IonicContact CZ-OD1 3.28Å; R87-D108 IonicContact CZ-OD2 3.86Å; R87-D108 IonicContact NE-OD1 2.85Å; R87-D108 PolarHBondContact NE-OD1 2.99Å; R87-D108 IonicContact NE-OD2 3.04Å; R87-D108 PolarHBondContact NE-OD2 2.99Å; R87-D108 IonicContact NH2-OD1 2.81Å; R87-D108 PolarHBondContact NH2-OD1 3.45Å; R87-D108 IonicContact NH2-OD2 2.73Å
88	F	98.8	Very high	98.1	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.018	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	133.2	174.8	-66.7	-85.1	0	0	0	111.7	L73 I74 R80 V84 P85 D86 I101 D108 Y112	L73-F88 HydrophobicContact CD1-CD1 4.06Å; L73-F88 HydrophobicContact CD1-CD2 4.35Å; L73-F88 HydrophobicContact CD1-CE1 4.22Å; L73-F88 HydrophobicContact CD1-CG 4.12Å; L73-F88 HydrophobicContact CD1-CZ 4.44Å; L73-F88 HydrophobicContact CD2-CD1 3.77Å; L73-F88 HydrophobicContact CD2-CE1 4.11Å; L73-F88 HydrophobicContact CD2-CG 4.45Å; L73-F88 HydrophobicContact CG-CD1 4.28Å; L73-F88 HydrophobicContact CG-CG 4.5Å; I74-F88 HydrophobicContact CD1-CB 4.41Å; R80-F88 WeakPolarHBondContact CD-O 3.4Å; R80-F88 PolarHBondContact NH1-O 2.77Å; V84-F88 HydrophobicContact CG1-CB 3.88Å; V84-F88 HydrophobicContact CG1-CD2 3.86Å; V84-F88 HydrophobicContact CG1-CG 4.07Å; P85-F88 HydrophobicContact CB-CD2 4.11Å; P85-F88 HydrophobicContact CB-CE2 4.34Å; P85-F88 HydrophobicContact CG-CD2 4.38Å; P85-F88 HydrophobicContact CG-CE2 4.25Å; P85-F88 PolarHBondContact O-N 2.84Å; P85-F88 VanDerWaalsContact O-N 3.11Å; D86-F88 PolarHBondContact O-N 2.75Å; F88-I101 HydrophobicContact CD1-CD1 4.31Å; F88-I101 HydrophobicContact CD1-CG1 3.82Å; F88-I101 HydrophobicContact CE1-CB 4.49Å; F88-I101 HydrophobicContact CE1-CD1 3.61Å; F88-I101 HydrophobicContact CE1-CG1 3.62Å; F88-I101 HydrophobicContact CE1-CG2 4.2Å; F88-I101 HydrophobicContact CZ-CD1 4.37Å; F88-I101 HydrophobicContact CZ-CG2 4.41Å; F88-D108 HydrophobicContact CZ-CB 4.48Å; F88-D108 WeakPolarHBondContact CZ-OD1 3.34Å; F88-Y112 HydrophobicContact CE1-CE1 4.12Å
89	S	98.7	Very high	98.2	Very high	42 Å²	42	53.5 Å²	53.5	29%	0.294	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	141.5	176.8	54.8	0	0	0	0	111.3	K100	S89-K100 PolarHBondContact N-O 3.34Å; S89-K100 PolarHBondContact O-N 3.2Å; S89-K100 PolarHBondContact OG-O 3.24Å
90	G	98.7	Very high	98.2	Very high	10 Å²	10	51.8 Å²	51.8	10%	0.103	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	144.5	173.6	0	0	0	0	0	109.5	L77 T98	L77-G90 CarbonylContact O-C 3.24Å; L77-G90 VanDerWaalsContact O-C 3.24Å; L77-G90 VanDerWaalsContact O-CA 3.23Å; L77-G90 WeakPolarHBondContact O-CA 3.45Å; G90-T98 WeakPolarHBondContact CA-O 3.35Å
91	S	98.5	Very high	98.2	Very high	59 Å²	59	47.1 Å²	47.1	41%	0.413	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	163.9	-177.6	59.8	0	0	0	0	110.6	F97 T98	S91-F97 CarbonylContact O-C 3.52Å; S91-F97 VanDerWaalsContact O-CA 3.31Å; S91-F97 WeakPolarHBondContact O-CA 3.49Å; S91-T98 PolarHBondContact N-O 3.12Å; S91-T98 PolarHBondContact O-N 2.91Å; S91-T98 PolarHBondContact OG-O 3.02Å
92	G	98.1	Very high	98.2	Very high	34 Å²	34	48.6 Å²	48.6	35%	0.351	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	132	178.3	179	0	0	0	0	0	112.8	L77 D96	L77-G92 WeakPolarHBondContact CD2-O 3.39Å; G92-D96 WeakPolarHBondContact CA-O 3.19Å
93	S	96.3	Very high	98.2	Very high	89 Å²	89	48.9 Å²	48.9	62%	0.622	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-164.4	161.6	177.7	60.4	0	0	0	0	110.2	T95 D96	S93-T95 PolarHBondContact O-N 2.79Å; S93-D96 PolarHBondContact N-O 3.1Å; S93-D96 VanDerWaalsContact N-O 3.12Å; S93-D96 PolarHBondContact O-N 3.47Å
94	G	95	Very high	98.2	Very high	31 Å²	31	45.2 Å²	45.2	32%	0.32	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	-103.4	-178.2	0	0	0	0	0	110.6	S48 L49 F97	S48-G94 WeakPolarHBondContact CA-O 3.43Å; L49-G94 PolarHBondContact N-O 3.16Å; G94-F97 WeakPolarHBondContact O-CZ 3.45Å
95	T	97.9	Very high	98.2	Very high	48 Å²	48	47.4 Å²	47.4	29%	0.294	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-7.5	-175	55	0	0	0	0	114.7	R44 S45 S93	R44-T95 CarbonylContact C-O 3.54Å; R44-T95 WeakPolarHBondContact CA-O 3.36Å; S45-T95 PolarHBondContact N-O 3.04Å; S45-T95 WeakPolarHBondContact O-CB 3.28Å; S45-T95 WeakPolarHBondContact OG-CA 3.44Å; S93-T95 PolarHBondContact O-N 2.79Å
96	D	98.6	Very high	98.1	Very high	73 Å²	73	49.1 Å²	49.1	39%	0.39	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.5	-173.6	-65.9	-88	0	0	0	110.9	R44 G92 S93	R44-D96 IonicContact CZ-OD1 3.71Å; R44-D96 VanDerWaalsContact CZ-OD1 3.28Å; R44-D96 IonicContact NE-OD1 3.31Å; R44-D96 PolarHBondContact NE-OD1 2.91Å; R44-D96 IonicContact NH2-OD1 2.76Å; R44-D96 PolarHBondContact NH2-OD1 2.77Å; G92-D96 WeakPolarHBondContact CA-O 3.19Å; S93-D96 PolarHBondContact N-O 3.1Å; S93-D96 VanDerWaalsContact N-O 3.12Å; S93-D96 PolarHBondContact O-N 3.47Å
97	F	98.8	Very high	98	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.7	-173.6	-51	-73.1	0	0	0	111.7	S42 C43 L49 T57 L59 L77 S91 G94	S42-F97 WeakPolarHBondContact CA-O 3.32Å; C43-F97 HydrophobicContact CB-CB 4.31Å; C43-F97 PolarHBondContact N-O 2.87Å; C43-F97 WeakPolarHBondContact O-CA 3.31Å; C43-F97 PolarHBondContact O-N 3.33Å; L49-F97 HydrophobicContact CB-CE2 4.42Å; L49-F97 HydrophobicContact CB-CZ 3.97Å; L49-F97 HydrophobicContact CD1-CD2 4.42Å; L49-F97 HydrophobicContact CD1-CE2 3.58Å; L49-F97 HydrophobicContact CD1-CZ 3.91Å; L49-F97 HydrophobicContact CG-CE2 3.91Å; L49-F97 HydrophobicContact CG-CZ 3.97Å; T57-F97 HydrophobicContact CG2-CE1 3.58Å; T57-F97 HydrophobicContact CG2-CZ 3.95Å; L59-F97 HydrophobicContact CD1-CD2 3.91Å; L59-F97 HydrophobicContact CD1-CE2 4.27Å; L59-F97 HydrophobicContact CD1-CG 4.29Å; L59-F97 HydrophobicContact CD2-CB 3.42Å; L59-F97 VanDerWaalsContact CD2-CB 3.42Å; L59-F97 HydrophobicContact CD2-CD1 3.84Å; L59-F97 HydrophobicContact CD2-CD2 3.96Å; L59-F97 HydrophobicContact CD2-CG 3.46Å; L59-F97 VanDerWaalsContact CD2-CG 3.46Å; L59-F97 HydrophobicContact CG-CD2 4.46Å; L59-F97 HydrophobicContact CG-CG 4.37Å; L77-F97 HydrophobicContact CD1-CD1 3.64Å; L77-F97 HydrophobicContact CD1-CE1 4.09Å; S91-F97 CarbonylContact O-C 3.52Å; S91-F97 VanDerWaalsContact O-CA 3.31Å; S91-F97 WeakPolarHBondContact O-CA 3.49Å; G94-F97 WeakPolarHBondContact O-CZ 3.45Å
98	T	98.8	Very high	98	Very high	42 Å²	42	46.8 Å²	46.8	26%	0.258	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	125.7	-179.5	-63.2	0	0	0	0	110.6	I41 G90 S91	I41-T98 CarbonylContact O-C 3.6Å; I41-T98 VanDerWaalsContact O-CA 3.32Å; I41-T98 WeakPolarHBondContact O-CA 3.29Å; G90-T98 WeakPolarHBondContact CA-O 3.35Å; S91-T98 PolarHBondContact N-O 3.12Å; S91-T98 PolarHBondContact O-N 2.91Å; S91-T98 PolarHBondContact OG-O 3.02Å
99	L	98.9	Very high	97.9	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	130.2	160.1	179.5	67	0	0	0	108.3	S40 I41 W61 L73 I74 Y112	S40-L99 CarbonylContact C-O 3.58Å; S40-L99 WeakPolarHBondContact CA-O 3.31Å; I41-L99 HydrophobicContact CB-CB 4.47Å; I41-L99 HydrophobicContact CD1-CD2 4.44Å; I41-L99 PolarHBondContact N-O 2.87Å; I41-L99 PolarHBondContact O-N 2.84Å; W61-L99 HydrophobicContact CB-CD1 4.49Å; W61-L99 HydrophobicContact CD2-CB 3.67Å; W61-L99 HydrophobicContact CD2-CD1 4.37Å; W61-L99 HydrophobicContact CD2-CD2 4.08Å; W61-L99 HydrophobicContact CD2-CG 4.27Å; W61-L99 HydrophobicContact CE3-CB 3.86Å; W61-L99 HydrophobicContact CE3-CD2 3.8Å; W61-L99 HydrophobicContact CE3-CG 4.38Å; W61-L99 HydrophobicContact CG-CB 4.31Å; W61-L99 HydrophobicContact CG-CD1 4.17Å; W61-L99 HydrophobicContact CG-CD2 4.46Å; W61-L99 HydrophobicContact CH2-CB 3.77Å; W61-L99 HydrophobicContact CZ2-CB 3.61Å; W61-L99 HydrophobicContact CZ3-CB 3.9Å; W61-L99 HydrophobicContact CZ3-CD2 4.25Å; L73-L99 HydrophobicContact CD2-CD1 3.92Å; L73-L99 HydrophobicContact CD2-CD2 3.86Å; I74-L99 HydrophobicContact CD1-CD1 3.51Å; I74-L99 HydrophobicContact CG1-CD1 4.3Å; L99-Y112 HydrophobicContact CD2-CD1 3.39Å; L99-Y112 HydrophobicContact CD2-CE1 3.8Å; L99-Y112 HydrophobicContact CD2-CG 4.18Å
100	K	98.7	Very high	97.9	Very high	92 Å²	92	50.7 Å²	50.7	40%	0.4	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.6	176.2	179.3	176.7	-176.4	176.6	0	110.5	A39 S89	A39-K100 WeakPolarHBondContact O-CA 3.31Å; S89-K100 PolarHBondContact N-O 3.34Å; S89-K100 PolarHBondContact O-N 3.2Å; S89-K100 PolarHBondContact OG-O 3.24Å
101	I	98.7	Very high	97.8	Very high	10 Å²	10	53.8 Å²	53.8	5%	0.051	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	115.6	169.2	-45.7	178.7	0	0	0	106	P38 A39 R87 F88 V104	P38-I101 CarbonylContact C-O 3.54Å; P38-I101 WeakPolarHBondContact CA-O 3.34Å; A39-I101 HydrophobicContact CB-CB 4.49Å; A39-I101 PolarHBondContact N-O 3.46Å; A39-I101 PolarHBondContact O-N 2.8Å; R87-I101 CarbonylContact O-C 3.56Å; R87-I101 WeakPolarHBondContact O-CA 3.11Å; F88-I101 HydrophobicContact CD1-CD1 4.31Å; F88-I101 HydrophobicContact CD1-CG1 3.82Å; F88-I101 HydrophobicContact CE1-CB 4.49Å; F88-I101 HydrophobicContact CE1-CD1 3.61Å; F88-I101 HydrophobicContact CE1-CG1 3.62Å; F88-I101 HydrophobicContact CE1-CG2 4.2Å; F88-I101 HydrophobicContact CZ-CD1 4.37Å; F88-I101 HydrophobicContact CZ-CG2 4.41Å; I101-V104 HydrophobicContact CB-CG2 4.16Å; I101-V104 HydrophobicContact CG2-CG2 4.04Å
102	S	98.6	Very high	97.8	Very high	50 Å²	50	52 Å²	52	35%	0.35	31%	0.311	S	S	.	.	S	Bend	trans	-75.2	-30	-173.9	64.9	0	0	0	0	113.5	R87	R87-S102 WeakPolarHBondContact CA-OG 3.43Å; R87-S102 WeakPolarHBondContact CB-OG 3.49Å; R87-S102 PolarHBondContact O-N 2.62Å; R87-S102 PolarHBondContact O-OG 3.17Å
103	R	98.4	Very high	97.8	Very high	137 Å²	137	54.7 Å²	54.7	52%	0.517	31%	0.311	S	S	.	.	S	Bend	trans	-142.8	110.9	171.8	-65.9	-170.3	-58.4	-92.1	-3.9	108.3	R87	R87-R103 WeakPolarHBondContact CD-O 3.38Å
104	V	98.5	Very high	97.9	Very high	8 Å²	8	50.9 Å²	50.9	5%	0.048	29%	0.285	C	S	.	.			trans	-71.3	136.5	179	172.3	0	0	0	0	110.7	V33 P35 G36 E37 A39 I101 D108	V33-V104 HydrophobicContact CB-CG1 4.02Å; V33-V104 HydrophobicContact CB-CG2 4.35Å; V33-V104 HydrophobicContact CG1-CG2 4.36Å; V33-V104 HydrophobicContact CG2-CG1 3.75Å; P35-V104 CarbonylContact C-O 3.58Å; P35-V104 WeakPolarHBondContact CA-O 3.15Å; G36-V104 PolarHBondContact N-O 2.93Å; E37-V104 WeakPolarHBondContact O-CG2 3.42Å; E37-V104 PolarHBondContact O-N 2.98Å; A39-V104 HydrophobicContact CB-CG2 3.55Å; I101-V104 HydrophobicContact CB-CG2 4.16Å; I101-V104 HydrophobicContact CG2-CG2 4.04Å; V104-D108 HydrophobicContact CG1-CB 4.43Å
105	E	98.3	Very high	98	Very high	71 Å²	71	54.1 Å²	54.1	33%	0.332	29%	0.292	S	S	.	.			trans	-117.5	164	173.6	-66.9	172.9	-159.5	0	0	110.9	R87 E107 D108	R87-E105 VanDerWaalsContact CZ-CD 3.43Å; R87-E105 IonicContact CZ-OE1 3.32Å; R87-E105 IonicContact CZ-OE2 3.86Å; R87-E105 IonicContact NH1-OE1 3.2Å; R87-E105 PolarHBondContact NH1-OE1 3.46Å; R87-E105 IonicContact NH1-OE2 3.69Å; R87-E105 PolarHBondContact NH1-OE2 3.09Å; R87-E105 IonicContact NH2-OE2 2.87Å; R87-E105 PolarHBondContact NH2-OE2 3.46Å; E105-E107 VanDerWaalsContact CB-OE2 3.31Å; E105-E107 WeakPolarHBondContact CB-OE2 3.23Å; E105-E107 PolarHBondContact O-N 3.27Å; E105-D108 PolarHBondContact N-OD2 2.92Å; E105-D108 WeakPolarHBondContact O-CB 3.28Å; E105-D108 PolarHBondContact O-N 3.3Å; E105-D108 VanDerWaalsContact O-N 3.1Å
106	A	96.2	Very high	97.9	Very high	83 Å²	83	52.9 Å²	52.9	69%	0.686	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-63.4	-29.7	-173.9	0	0	0	0	0	112.7	D108 V109	A106-D108 PolarHBondContact O-N 3.38Å; A106-V109 WeakPolarHBondContact O-CG2 3.48Å
107	E	95.9	Very high	97.6	Very high	87 Å²	87	53.5 Å²	53.5	41%	0.407	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-78.1	-3.4	177.9	74.2	-86.4	-164.1	0	0	114.8	K65 R87 E105 V109	K65-E107 WeakPolarHBondContact CE-O 3.2Å; K65-E107 PolarHBondContact NZ-O 2.81Å; R87-E107 IonicContact CZ-OE1 3.98Å; R87-E107 IonicContact NH1-OE1 3.46Å; R87-E107 IonicContact NH2-OE1 3.61Å; R87-E107 PolarHBondContact NH2-OE1 2.87Å; E105-E107 VanDerWaalsContact CB-OE2 3.31Å; E105-E107 WeakPolarHBondContact CB-OE2 3.23Å; E105-E107 PolarHBondContact O-N 3.27Å; E107-V109 PolarHBondContact O-N 3.48Å
108	D	97.5	Very high	97.3	Very high	10 Å²	10	56 Å²	56	5%	0.053	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-81.9	-1.3	177.3	-60	-22.7	0	0	0	111.7	R87 F88 V104 E105 A106 G110 Y112	R87-D108 IonicContact CZ-OD1 3.28Å; R87-D108 IonicContact CZ-OD2 3.86Å; R87-D108 IonicContact NE-OD1 2.85Å; R87-D108 PolarHBondContact NE-OD1 2.99Å; R87-D108 IonicContact NE-OD2 3.04Å; R87-D108 PolarHBondContact NE-OD2 2.99Å; R87-D108 IonicContact NH2-OD1 2.81Å; R87-D108 PolarHBondContact NH2-OD1 3.45Å; R87-D108 IonicContact NH2-OD2 2.73Å; F88-D108 HydrophobicContact CZ-CB 4.48Å; F88-D108 WeakPolarHBondContact CZ-OD1 3.34Å; V104-D108 HydrophobicContact CG1-CB 4.43Å; E105-D108 PolarHBondContact N-OD2 2.92Å; E105-D108 WeakPolarHBondContact O-CB 3.28Å; E105-D108 PolarHBondContact O-N 3.3Å; E105-D108 VanDerWaalsContact O-N 3.1Å; A106-D108 PolarHBondContact O-N 3.38Å; D108-G110 PolarHBondContact O-N 3.35Å; D108-Y112 PolarHBondContact O-OH 2.96Å
109	V	97	Very high	96.5	Very high	97 Å²	97	57.5 Å²	57.5	59%	0.588	30%	0.297	S	S	*	.			trans	-66.5	118.2	174.1	176.7	0	0	0	0	110.4	A106 E107	A106-V109 WeakPolarHBondContact O-CG2 3.48Å; E107-V109 PolarHBondContact O-N 3.48Å
110	G	97.6	Very high	95.4	Very high	30 Å²	30	64.5 Å²	64.5	31%	0.309	33%	0.328	S	S	.	.	S	Bend	trans	177.6	-175	176.9	0	0	0	0	0	112.1	Q64 D108	Q64-G110 CarbonylContact O-C 3.52Å; Q64-G110 VanDerWaalsContact O-CA 3.31Å; Q64-G110 WeakPolarHBondContact O-CA 3.31Å; D108-G110 PolarHBondContact O-N 3.35Å
111	V	98.1	Very high	93.6	Very high	75 Å²	75	69.5 Å²	69.5	46%	0.455	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.4	173	-169.4	0	0	0	0	108.7	Q64 Y113	Q64-V111 PolarHBondContact N-O 3.39Å; Q64-V111 PolarHBondContact O-N 2.86Å; V111-Y113 HydrophobicContact CB-CE2 3.96Å; V111-Y113 HydrophobicContact CG1-CD2 4.49Å; V111-Y113 HydrophobicContact CG1-CE1 3.82Å; V111-Y113 HydrophobicContact CG1-CE2 3.74Å; V111-Y113 VanDerWaalsContact CG1-OH 3.31Å; V111-Y113 WeakPolarHBondContact CG1-OH 3.35Å
112	Y	98.5	Very high	93.3	Very high	22 Å²	22	72.5 Å²	72.5	9%	0.086	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.7	178.9	-69.5	-96.7	0	0	0	110.1	Q26 I41 Y62 L63 L73 F88 L99 D108	Q26-Y112 PolarHBondContact NE2-O 2.79Å; I41-Y112 HydrophobicContact CD1-CD1 4.47Å; I41-Y112 HydrophobicContact CD1-CD2 3.82Å; I41-Y112 HydrophobicContact CD1-CG 3.73Å; Y62-Y112 CarbonylContact O-C 3.58Å; Y62-Y112 VanDerWaalsContact O-CA 3.3Å; Y62-Y112 WeakPolarHBondContact O-CA 3.29Å; L63-Y112 HydrophobicContact CB-CD1 4.29Å; L63-Y112 HydrophobicContact CB-CE1 4.09Å; L63-Y112 HydrophobicContact CD1-CD1 4.11Å; L63-Y112 HydrophobicContact CD1-CD2 4.06Å; L63-Y112 HydrophobicContact CD1-CE1 3.76Å; L63-Y112 HydrophobicContact CD1-CE2 3.68Å; L63-Y112 HydrophobicContact CD1-CG 4.27Å; L63-Y112 HydrophobicContact CD2-CE1 4.21Å; L63-Y112 HydrophobicContact CG-CE1 4.23Å; L73-Y112 HydrophobicContact CD2-CD1 4.01Å; L73-Y112 HydrophobicContact CD2-CE1 3.73Å; F88-Y112 HydrophobicContact CE1-CE1 4.12Å; L99-Y112 HydrophobicContact CD2-CD1 3.39Å; L99-Y112 HydrophobicContact CD2-CE1 3.8Å; L99-Y112 HydrophobicContact CD2-CG 4.18Å; D108-Y112 PolarHBondContact O-OH 2.96Å
113	Y	98	Very high	93	Very high	91 Å²	91	73.7 Å²	73.7	36%	0.357	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.7	178.6	-55.8	-81.8	0	0	0	109.9	W61 Y62 Q64 V111	W61-Y113 CarbonylContact C-O 3.58Å; W61-Y113 VanDerWaalsContact CA-O 3.31Å; W61-Y113 WeakPolarHBondContact CA-O 3.4Å; Y62-Y113 PolarHBondContact N-O 2.81Å; Y62-Y113 PolarHBondContact O-N 3.48Å; Q64-Y113 HydrophobicContact CB-CE2 3.88Å; Q64-Y113 PolarHBondContact OE1-OH 3.1Å; V111-Y113 HydrophobicContact CB-CE2 3.96Å; V111-Y113 HydrophobicContact CG1-CD2 4.49Å; V111-Y113 HydrophobicContact CG1-CE1 3.82Å; V111-Y113 HydrophobicContact CG1-CE2 3.74Å; V111-Y113 VanDerWaalsContact CG1-OH 3.31Å; V111-Y113 WeakPolarHBondContact CG1-OH 3.35Å
114	C	98.1	Very high	92.7	Very high	9 Å²	9	70.2 Å²	70.2	6%	0.061	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	137.7	163.3	66.4	0	0	0	0	109.5	Q26 C43 L59 D60 W61	Q26-C114 WeakPolarHBondContact CG-SG 3.41Å; Q26-C114 PolarHBondContact OE1-SG 2.55Å; Q26-C114 VanDerWaalsContact OE1-SG 3.38Å; C43-C114 HydrophobicContact CB-CB 3.59Å; C43-C114 WeakPolarHBondContact CB-SG 3.47Å; C43-C114 WeakPolarHBondContact SG-CB 3.34Å; C43-C114 CovalentContact SG-SG 2.02Å; C43-C114 PolarHBondContact SG-SG 2.81Å; L59-C114 HydrophobicContact CD1-CB 4.16Å; D60-C114 CarbonylContact O-C 3.54Å; D60-C114 WeakPolarHBondContact O-CA 3.17Å; W61-C114 HydrophobicContact CD2-CB 4.04Å; W61-C114 HydrophobicContact CE3-CB 3.86Å; W61-C114 HydrophobicContact CH2-CB 3.87Å; W61-C114 HydrophobicContact CZ2-CB 3.99Å; W61-C114 HydrophobicContact CZ3-CB 3.79Å
115	M	96.8	Very high	92.4	Very high	98 Å²	98	73.8 Å²	73.8	48%	0.483	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	136.9	-178	-174.4	175.2	179.2	0	0	109.5	D60 Y62	D60-M115 PolarHBondContact N-O 3.04Å; D60-M115 PolarHBondContact O-N 3.43Å; Y62-M115 HydrophobicContact CD2-CB 4.36Å; Y62-M115 HydrophobicContact CE2-CB 4.02Å; Y62-M115 HydrophobicContact CE2-SD 4.3Å
116	Q	96	Very high	92	Very high	23 Å²	23	74 Å²	74	11%	0.107	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	148	171.2	66.7	81.3	21	0	0	110.4	I22 M24 L49 Y58 E119	I22-Q116 HydrophobicContact CB-CG 3.98Å; I22-Q116 HydrophobicContact CD1-CG 4.4Å; I22-Q116 HydrophobicContact CG2-CB 4.42Å; I22-Q116 HydrophobicContact CG2-CG 3.79Å; M24-Q116 HydrophobicContact CE-CB 4.49Å; M24-Q116 HydrophobicContact CG-CG 4.36Å; M24-Q116 HydrophobicContact SD-CB 3.83Å; M24-Q116 HydrophobicContact SD-CG 3.92Å; L49-Q116 HydrophobicContact CD1-CB 3.72Å; L49-Q116 HydrophobicContact CD2-CB 3.58Å; L49-Q116 HydrophobicContact CD2-CG 4.4Å; L49-Q116 HydrophobicContact CG-CB 4.3Å; Y58-Q116 WeakPolarHBondContact O-CA 3.21Å; Q116-E119 PolarHBondContact NE2-O 3.18Å
117	R	93	Very high	91.8	Very high	85 Å²	85	73.4 Å²	73.4	32%	0.321	39%	0.386	S	S	.	.			trans	-122.9	22.7	177.8	-166.6	162.1	49.6	76.4	-3.6	113	Y58 D60 T76 F120	Y58-R117 VanDerWaalsContact CD1-CZ 3.42Å; Y58-R117 VanDerWaalsContact CD1-NH2 3.28Å; Y58-R117 VanDerWaalsContact CE1-NH1 3.28Å; Y58-R117 PolarHBondContact O-N 3.04Å; D60-R117 IonicContact OD2-CZ 3.99Å; D60-R117 IonicContact OD2-NE 3.04Å; D60-R117 PolarHBondContact OD2-NE 2.89Å; T76-R117 PolarHBondContact OG1-NH2 2.88Å; R117-F120 HydrophobicContact CG-CE1 4.13Å; R117-F120 HydrophobicContact CG-CE2 4.11Å; R117-F120 HydrophobicContact CG-CZ 3.42Å; R117-F120 VanDerWaalsContact CG-CZ 3.42Å
118	I	91	Very high	91.5	Very high	56 Å²	56	72.4 Å²	72.4	29%	0.287	38%	0.384	S	S	.	.	S	Bend	trans	-82.4	-49.8	176.1	-61.6	-66.7	0	0	0	110.4	I22 L49 D51 Y58	I22-I118 HydrophobicContact CD1-CB 4.06Å; I22-I118 HydrophobicContact CD1-CG2 4.2Å; L49-I118 HydrophobicContact CB-CG1 4.29Å; L49-I118 HydrophobicContact CD2-CG1 4.12Å; D51-I118 HydrophobicContact CB-CD1 4.2Å; Y58-I118 HydrophobicContact CD2-CD1 3.64Å; Y58-I118 HydrophobicContact CG-CD1 4.06Å
119	E	83.6	Confident	91	Very high	73 Å²	73	77.2 Å²	77.2	34%	0.341	41%	0.409	S	S	.	.			trans	-113.1	126.4	-177.5	-66.3	-178.5	176.2	0	0	110.3	I22 Q116	I22-E119 HydrophobicContact CD1-CB 4.19Å; I22-E119 HydrophobicContact CD1-CG 3.73Å; I22-E119 HydrophobicContact CG1-CG 4.34Å; I22-E119 WeakPolarHBondContact CG1-OE2 3.21Å; Q116-E119 PolarHBondContact NE2-O 3.18Å
120	F	74.6	Confident	90.5	Very high	148 Å²	148	75.6 Å²	75.6	65%	0.649	40%	0.395	S	S	*	.			trans	-107.4	144.1	168	-61.9	-85.7	0	0	0	108.6	R117	R117-F120 HydrophobicContact CG-CE1 4.13Å; R117-F120 HydrophobicContact CG-CE2 4.11Å; R117-F120 HydrophobicContact CG-CZ 3.42Å; R117-F120 VanDerWaalsContact CG-CZ 3.42Å
121	P	60.6	Low	89.9	Confident	197 Å²	197	79.7 Å²	79.7	100%	1.279	40%	0.402	S	S	*	.			trans	-62.6	0	173.8	26.3	-33.1	0	0	0	113

Retrieved 121 of 121 residues in 102.8 ms (Link to these results)

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