A0A075B5P0_MOUSE Loading...

Immunoglobulin kappa variable 3-2

AlphaFold DB , UniProt , Accession A0A075B5P0, Species MOUSE (Mus musculus, Mouse), Gene Igkv3-2, Length 119 aa.

						>A0A075B5P0_MOUSE|A0A075B5P0|Igkv3-2
MEKDTLLLWVLLLWVPGSTGDIVLTQSPASLAVSLGQRATISCRASESVDNYGISFMNWFQQKPGQPPKLLIYAASNQGSGVPARFSGSGSGTDFSLNIHPMEEDDTAMYFCQQSKEVP
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.3	Very low	56.9	Low	236 Å²	236	136.7 Å²	136.7	100%	1.163	68%	0.677	S	S	*	*				0	94.7	0	-175.4	174.3	79.9	0	0	105.9
2	E	53	Low	57.2	Low	162 Å²	162	138 Å²	138	76%	0.757	69%	0.687	S	S	*	*			trans	-148.4	81.8	169.7	-109.6	175.3	141.2	0	0	105.4
3	K	60.1	Low	57.6	Low	182 Å²	182	138.8 Å²	138.8	79%	0.791	69%	0.694	S	S	*	*			trans	-85.1	4.8	170.5	-79.3	179.2	173.6	175.5	0	110.9
4	D	58	Low	57.8	Low	107 Å²	107	144.6 Å²	144.6	57%	0.572	70%	0.704	S	S	*	*	H	α-helix	trans	-91.7	-24.2	-164	-57.9	-12.4	0	0	0	112.2	L6 L7	D4-L6 VanDerWaalsContact C-N 3.35Å; D4-L6 PolarHBondContact O-N 3.22Å; D4-L7 PolarHBondContact O-N 3.27Å
5	T	59.2	Low	58.3	Low	64 Å²	64	144.1 Å²	144.1	39%	0.393	71%	0.712	S	S	.	*	H	α-helix	trans	-67.9	-33.5	-176.6	-35.5	0	0	0	0	112.6	W9	T5-W9 HydrophobicContact CG2-CH2 4.33Å; T5-W9 HydrophobicContact CG2-CZ2 3.74Å
6	L	58	Low	58.3	Low	121 Å²	121	142.1 Å²	142.1	63%	0.634	71%	0.713	S	S	*	*	H	α-helix	trans	-72.6	-36.2	-179.3	-169.8	69.2	0	0	0	112.2	D4 L8 W9 V10	D4-L6 VanDerWaalsContact C-N 3.35Å; D4-L6 PolarHBondContact O-N 3.22Å; L6-L8 VanDerWaalsContact C-N 3.35Å; L6-L8 PolarHBondContact O-N 2.88Å; L6-W9 HydrophobicContact CD1-CE3 4.27Å; L6-W9 PolarHBondContact O-N 2.94Å; L6-V10 WeakPolarHBondContact O-CG2 3.28Å; L6-V10 PolarHBondContact O-N 3.23Å; L6-V10 VanDerWaalsContact O-N 3.16Å
7	L	56.6	Low	58.3	Low	116 Å²	116	137.7 Å²	137.7	61%	0.607	71%	0.712	S	S	*	*	H	α-helix	trans	-64.9	-38.5	179.6	-94.8	141.8	0	0	0	112.1	D4 W9 V10 L11	D4-L7 PolarHBondContact O-N 3.27Å; L7-W9 VanDerWaalsContact C-N 3.31Å; L7-W9 PolarHBondContact O-N 2.88Å; L7-V10 PolarHBondContact O-N 2.91Å; L7-L11 WeakPolarHBondContact O-CD1 3.46Å; L7-L11 PolarHBondContact O-N 3.09Å
8	L	57.4	Low	58.5	Low	118 Å²	118	136.4 Å²	136.4	62%	0.618	72%	0.717	S	S	*	*	H	α-helix	trans	-63.8	-35.9	175.5	-75.4	165	0	0	0	112.3	L6	L6-L8 VanDerWaalsContact C-N 3.35Å; L6-L8 PolarHBondContact O-N 2.88Å
9	W	58.4	Low	58.8	Low	171 Å²	171	135.3 Å²	135.3	65%	0.648	72%	0.716	S	S	*	*	H	α-helix	trans	-72.7	-32.6	177.4	-62.2	-14.1	0	0	0	112.9	T5 L6 L7	T5-W9 HydrophobicContact CG2-CH2 4.33Å; T5-W9 HydrophobicContact CG2-CZ2 3.74Å; L6-W9 HydrophobicContact CD1-CE3 4.27Å; L6-W9 PolarHBondContact O-N 2.94Å; L7-W9 VanDerWaalsContact C-N 3.31Å; L7-W9 PolarHBondContact O-N 2.88Å
10	V	63.7	Low	59.5	Low	93 Å²	93	130.6 Å²	130.6	56%	0.564	70%	0.702	S	S	*	*	H	α-helix	trans	-71	-34.4	176.8	178.1	0	0	0	0	111.8	L6 L7 L12 L13	L6-V10 WeakPolarHBondContact O-CG2 3.28Å; L6-V10 PolarHBondContact O-N 3.23Å; L6-V10 VanDerWaalsContact O-N 3.16Å; L7-V10 PolarHBondContact O-N 2.91Å; V10-L12 VanDerWaalsContact C-N 3.3Å; V10-L12 PolarHBondContact O-N 3.24Å; V10-L13 PolarHBondContact O-N 3.17Å
11	L	60.5	Low	60.8	Low	134 Å²	134	129.4 Å²	129.4	70%	0.702	70%	0.696	S	S	*	*	H	α-helix	trans	-66.1	-27.7	179.2	-102.7	94.3	0	0	0	114	L7 L13	L7-L11 WeakPolarHBondContact O-CD1 3.46Å; L7-L11 PolarHBondContact O-N 3.09Å; L11-L13 PolarHBondContact O-N 3.4Å
12	L	60.1	Low	63.3	Low	152 Å²	152	118.9 Å²	118.9	80%	0.796	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-5.9	-177.9	-80.7	160.1	0	0	0	114.2	V10	V10-L12 VanDerWaalsContact C-N 3.3Å; V10-L12 PolarHBondContact O-N 3.24Å
13	L	63.1	Low	65.3	Low	149 Å²	149	115.5 Å²	115.5	78%	0.78	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	7.7	-179	-72.4	170.2	0	0	0	114.5	V10 L11	V10-L13 PolarHBondContact O-N 3.17Å; L11-L13 PolarHBondContact O-N 3.4Å
14	W	59.4	Low	67.1	Low	220 Å²	220	109.1 Å²	109.1	83%	0.833	61%	0.608	S	S	*	*			trans	-123.6	73.8	-176.8	-91.1	55.8	0	0	0	113
15	V	65.4	Low	69.1	Low	136 Å²	136	108.5 Å²	108.5	82%	0.824	61%	0.609	S	S	*	*			trans	-139.8	102.5	139.9	-169.6	0	0	0	0	108.2	G17	V15-G17 PolarHBondContact O-N 3.32Å; V15-G17 VanDerWaalsContact O-N 3.14Å
16	P	59.2	Low	70.9	Confident	112 Å²	112	108.8 Å²	108.8	73%	0.727	61%	0.606	S	S	*	*			trans	-57.8	116.8	163.6	-17.4	29.9	0	0	0	107.8	S18	P16-S18 PolarHBondContact O-N 2.76Å
17	G	58.5	Low	72.9	Confident	68 Å²	68	106.4 Å²	106.4	70%	0.701	60%	0.599	S	S	*	*			trans	-61.5	107.6	166.6	0	0	0	0	0	107.8	V15 T19	V15-G17 PolarHBondContact O-N 3.32Å; V15-G17 VanDerWaalsContact O-N 3.14Å; G17-T19 VanDerWaalsContact C-N 3.33Å; G17-T19 PolarHBondContact O-N 2.92Å; G17-T19 VanDerWaalsContact O-N 3.15Å
18	S	60.6	Low	74.9	Confident	115 Å²	115	103.3 Å²	103.3	80%	0.804	59%	0.586	S	S	*	*			trans	-75.8	92.7	164.5	178.4	0	0	0	0	106.3	P16 G20	P16-S18 PolarHBondContact O-N 2.76Å; S18-G20 PolarHBondContact O-N 2.96Å; S18-G20 VanDerWaalsContact O-N 3.08Å
19	T	65	Low	76.7	Confident	114 Å²	114	103 Å²	103	70%	0.699	60%	0.6	S	S	*	*			trans	-65.5	104.6	160.8	50.2	0	0	0	0	105.7	G17 D21	G17-T19 VanDerWaalsContact C-N 3.33Å; G17-T19 PolarHBondContact O-N 2.92Å; G17-T19 VanDerWaalsContact O-N 3.15Å; T19-D21 PolarHBondContact O-N 2.99Å
20	G	72.7	Confident	78.6	Confident	41 Å²	41	100 Å²	100	42%	0.423	61%	0.605	S	S	.	*			trans	-71.8	123.9	174.7	0	0	0	0	0	108.5	S18	S18-G20 PolarHBondContact O-N 2.96Å; S18-G20 VanDerWaalsContact O-N 3.08Å
21	D	87.3	Confident	80.2	Confident	107 Å²	107	99.9 Å²	99.9	57%	0.572	60%	0.601	S	S	*	*			trans	-61.2	143.3	171.4	-77.3	-27.4	0	0	0	110.5	T19 V23	T19-D21 PolarHBondContact O-N 2.99Å; D21-V23 PolarHBondContact O-N 3.42Å
22	I	93.8	Very high	81.9	Confident	14 Å²	14	98.4 Å²	98.4	7%	0.072	61%	0.608	C	S	.	*			trans	-68.7	102	171.1	-56.5	177.1	0	0	0	109.4	L24 A45 V49 Q114 K116 E117	I22-L24 HydrophobicContact CG2-CD2 4.44Å; I22-A45 HydrophobicContact CG2-CB 4Å; I22-V49 HydrophobicContact CD1-CG1 4.21Å; I22-V49 HydrophobicContact CG2-CG1 4Å; I22-Q114 HydrophobicContact CB-CG 4Å; I22-Q114 HydrophobicContact CG2-CG 3.88Å; I22-K116 HydrophobicContact CD1-CB 4.44Å; I22-K116 HydrophobicContact CD1-CD 4.34Å; I22-E117 HydrophobicContact CD1-CB 3.87Å; I22-E117 HydrophobicContact CG1-CB 4.29Å
23	V	95.6	Very high	83.7	Confident	92 Å²	92	93.2 Å²	93.2	56%	0.558	58%	0.583	S	S	*	*			trans	-75.6	138.4	175.4	-176.8	0	0	0	0	111.1	D21 S46	D21-V23 PolarHBondContact O-N 3.42Å; V23-S46 PolarHBondContact N-OG 2.96Å; V23-S46 PolarHBondContact O-N 2.65Å; V23-S46 PolarHBondContact O-OG 3.11Å
24	L	97.5	Very high	85.4	Confident	47 Å²	47	90.3 Å²	90.3	25%	0.246	58%	0.575	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.4	137.2	175.2	-57.2	-177.6	0	0	0	111.5	I22 R44 A45 M57 Q114	I22-L24 HydrophobicContact CG2-CD2 4.44Å; L24-R44 CarbonylContact C-O 3.58Å; L24-R44 WeakPolarHBondContact CA-O 3.5Å; L24-A45 HydrophobicContact CD2-CB 3.56Å; L24-M57 HydrophobicContact CD1-CE 4.44Å; L24-M57 HydrophobicContact CD2-CE 3.89Å; L24-Q114 HydrophobicContact CD1-CB 4.39Å; L24-Q114 HydrophobicContact CD1-CG 4.4Å; L24-Q114 HydrophobicContact CD2-CB 4.25Å; L24-Q114 HydrophobicContact CD2-CG 4.14Å; L24-Q114 HydrophobicContact CG-CG 4.46Å
25	T	98.4	Very high	87.2	Confident	95 Å²	95	85.2 Å²	85.2	58%	0.583	56%	0.563	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-119	125.3	174	-57.9	0	0	0	0	109.9	C43 R44	T25-C43 CarbonylContact O-C 3.48Å; T25-C43 WeakPolarHBondContact O-CA 3.42Å; T25-R44 PolarHBondContact N-O 3.37Å; T25-R44 PolarHBondContact O-N 3Å
26	Q	98.6	Very high	88.8	Confident	70 Å²	70	80.4 Å²	80.4	33%	0.327	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	146.5	178.4	-77.4	176.7	-145.7	0	0	112.7	S42 C43 Y110 F111 C112	Q26-S42 CarbonylContact C-O 3.48Å; Q26-S42 VanDerWaalsContact CA-O 3.27Å; Q26-S42 WeakPolarHBondContact CA-O 3.48Å; Q26-C43 HydrophobicContact CG-CB 4.24Å; Q26-Y110 PolarHBondContact NE2-O 3.31Å; Q26-Y110 VanDerWaalsContact NE2-O 3.11Å; Q26-F111 VanDerWaalsContact OE1-CA 3.23Å; Q26-C112 WeakPolarHBondContact CG-SG 3.41Å; Q26-C112 PolarHBondContact OE1-SG 3.48Å
27	S	98.6	Very high	90.7	Very high	70 Å²	70	80.7 Å²	80.7	49%	0.49	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	142.5	175.7	-174.7	0	0	0	0	112.4	S42	S27-S42 PolarHBondContact N-O 2.84Å; S27-S42 PolarHBondContact O-N 2.91Å
28	P	98.4	Very high	92.6	Very high	51 Å²	51	85.1 Å²	85.1	33%	0.331	53%	0.529	S	S	.	.			cis	-75	165.6	-9.6	34.6	-36.9	0	0	0	111.6	S30 L31	P28-S30 VanDerWaalsContact C-N 3.32Å; P28-S30 WeakPolarHBondContact CB-O 3.47Å; P28-S30 WeakPolarHBondContact CG-O 3.37Å; P28-L31 HydrophobicContact CG-CB 3.93Å; P28-L31 HydrophobicContact CG-CD1 4.08Å; P28-L31 HydrophobicContact CG-CG 4.42Å
29	A	96.6	Very high	94.4	Very high	111 Å²	111	79.9 Å²	79.9	92%	0.917	49%	0.492	S	S	*	.	S	Bend	trans	-69	-30.5	176.9	0	0	0	0	0	112.9
30	S	97.5	Very high	96	Very high	109 Å²	109	77.1 Å²	77.1	76%	0.762	48%	0.475	S	S	*	.	S	Bend	trans	-142	146.7	172.2	62.3	0	0	0	0	109.4	P28	P28-S30 VanDerWaalsContact C-N 3.32Å; P28-S30 WeakPolarHBondContact CB-O 3.47Å; P28-S30 WeakPolarHBondContact CG-O 3.37Å
31	L	96.8	Very high	97.2	Very high	90 Å²	90	76.1 Å²	76.1	47%	0.471	46%	0.46	S	S	.	.			trans	-141.5	126.4	-178.3	-175.2	65.2	0	0	0	109.1	P28 V33 A39	P28-L31 HydrophobicContact CG-CB 3.93Å; P28-L31 HydrophobicContact CG-CD1 4.08Å; P28-L31 HydrophobicContact CG-CG 4.42Å; L31-V33 HydrophobicContact CD1-CG2 4.09Å; L31-V33 HydrophobicContact CD2-CG2 3.61Å; L31-V33 HydrophobicContact CG-CG2 3.5Å; L31-A39 HydrophobicContact CD2-CB 3.83Å
32	A	97.8	Very high	97.8	Very high	104 Å²	104	73.8 Å²	73.8	86%	0.86	45%	0.452	S	S	*	.			trans	-108.2	121.8	171	0	0	0	0	0	108.6
33	V	97.3	Very high	98	Very high	42 Å²	42	73.2 Å²	73.2	26%	0.255	45%	0.449	S	S	.	.			trans	-131.5	134.5	-176.6	-174.9	0	0	0	0	109	L31 Q37 A39 M102	L31-V33 HydrophobicContact CD1-CG2 4.09Å; L31-V33 HydrophobicContact CD2-CG2 3.61Å; L31-V33 HydrophobicContact CG-CG2 3.5Å; V33-Q37 HydrophobicContact CG1-CB 3.58Å; V33-A39 HydrophobicContact CB-CB 4.43Å; V33-A39 HydrophobicContact CG1-CB 4.5Å; V33-A39 HydrophobicContact CG2-CB 3.79Å; V33-M102 HydrophobicContact CB-CG 4.38Å; V33-M102 HydrophobicContact CG1-CB 4.28Å; V33-M102 HydrophobicContact CG1-CG 4.4Å
34	S	98.3	Very high	98.2	Very high	88 Å²	88	76 Å²	76	62%	0.615	45%	0.45	S	S	*	.			trans	-69.3	149.6	174.5	-55.4	0	0	0	0	111.5	Q37	S34-Q37 VanDerWaalsContact O-CB 3.28Å; S34-Q37 WeakPolarHBondContact O-CB 3.49Å; S34-Q37 PolarHBondContact O-N 3.27Å; S34-Q37 VanDerWaalsContact O-N 3.09Å
35	L	98.1	Very high	98.2	Very high	113 Å²	113	74 Å²	74	59%	0.592	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	142	174.6	-60.1	179.4	0	0	0	111.3	Q37 M102 E103 E104	L35-Q37 PolarHBondContact O-N 2.9Å; L35-M102 WeakPolarHBondContact CA-O 3.45Å; L35-E103 VanDerWaalsContact CD2-C 3.46Å; L35-E104 HydrophobicContact CD2-CB 4.4Å
36	G	98.4	Very high	98.1	Very high	35 Å²	35	72.8 Å²	72.8	36%	0.361	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	-17	-176.9	0	0	0	0	0	115.1	H100 M102	G36-H100 PolarHBondContact O-CE1 2.86Å; G36-H100 VanDerWaalsContact O-CE1 3.27Å; G36-M102 PolarHBondContact N-O 2.67Å
37	Q	98.5	Very high	98	Very high	119 Å²	119	75 Å²	75	56%	0.556	45%	0.445	S	S	*	.	S	Bend	trans	-79.9	177.3	177.9	-59.7	-59.8	-68.8	0	0	111.7	V33 S34 L35 H100 M102	V33-Q37 HydrophobicContact CG1-CB 3.58Å; S34-Q37 VanDerWaalsContact O-CB 3.28Å; S34-Q37 WeakPolarHBondContact O-CB 3.49Å; S34-Q37 PolarHBondContact O-N 3.27Å; S34-Q37 VanDerWaalsContact O-N 3.09Å; L35-Q37 PolarHBondContact O-N 2.9Å; Q37-H100 PolarHBondContact O-ND1 2.81Å; Q37-M102 WeakPolarHBondContact O-CB 3.27Å; Q37-M102 PolarHBondContact O-N 2.81Å
38	R	98.5	Very high	97.9	Very high	161 Å²	161	74 Å²	74	61%	0.608	44%	0.438	S	S	*	.			trans	-97.4	131.2	176.2	178.8	178.1	-58	175.5	3.3	109.9	I99 H100	R38-I99 WeakPolarHBondContact CA-O 3.42Å; R38-H100 HydrophobicContact CB-CB 4.17Å; R38-H100 HydrophobicContact CG-CB 4.17Å
39	A	98.5	Very high	97.9	Very high	5 Å²	5	71.5 Å²	71.5	4%	0.041	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.3	164.1	0	0	0	0	0	109.6	L31 V33 N98 I99 M102	L31-A39 HydrophobicContact CD2-CB 3.83Å; V33-A39 HydrophobicContact CB-CB 4.43Å; V33-A39 HydrophobicContact CG1-CB 4.5Å; V33-A39 HydrophobicContact CG2-CB 3.79Å; A39-N98 WeakPolarHBondContact O-CA 3.4Å; A39-I99 HydrophobicContact CB-CB 4.23Å; A39-I99 PolarHBondContact N-O 2.89Å; A39-I99 PolarHBondContact O-N 3.29Å; A39-M102 HydrophobicContact CB-SD 4.24Å
40	T	98.7	Very high	97.9	Very high	55 Å²	55	68.4 Å²	68.4	34%	0.337	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	127.9	174.5	-58.9	0	0	0	0	109.3	L97 N98	T40-L97 CarbonylContact C-O 2.99Å; T40-L97 WeakPolarHBondContact CA-O 3.32Å; T40-N98 WeakPolarHBondContact CG2-OD1 3.4Å; T40-N98 PolarHBondContact OG1-OD1 2.81Å
41	I	98.7	Very high	97.8	Very high	20 Å²	20	66.7 Å²	66.7	10%	0.103	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.3	175	-52.5	176.4	0	0	0	107.2	W59 S96 L97 Y110	I41-W59 HydrophobicContact CB-CH2 4.15Å; I41-W59 HydrophobicContact CB-CZ3 4.15Å; I41-W59 HydrophobicContact CG2-CH2 3.88Å; I41-W59 HydrophobicContact CG2-CZ3 3.8Å; I41-S96 CarbonylContact O-C 3.47Å; I41-S96 WeakPolarHBondContact O-CA 3.44Å; I41-L97 HydrophobicContact CB-CB 4.48Å; I41-L97 HydrophobicContact CD1-CD2 4.45Å; I41-L97 PolarHBondContact N-O 2.92Å; I41-L97 PolarHBondContact O-N 3.2Å; I41-Y110 HydrophobicContact CD1-CD2 4.06Å; I41-Y110 HydrophobicContact CD1-CG 3.93Å
42	S	98.8	Very high	97.7	Very high	59 Å²	59	72.5 Å²	72.5	41%	0.413	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	145	177	-57	0	0	0	0	110.4	Q26 S27 F95	Q26-S42 CarbonylContact C-O 3.48Å; Q26-S42 VanDerWaalsContact CA-O 3.27Å; Q26-S42 WeakPolarHBondContact CA-O 3.48Å; S27-S42 PolarHBondContact N-O 2.84Å; S27-S42 PolarHBondContact O-N 2.91Å; S42-F95 CarbonylContact C-O 3.59Å; S42-F95 WeakPolarHBondContact CA-O 3.21Å
43	C	98.8	Very high	97.5	Very high	1 Å²	1	71.4 Å²	71.4	1%	0.007	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124	170.6	178	0	0	0	0	109	T25 Q26 W59 F95 C112	T25-C43 CarbonylContact O-C 3.48Å; T25-C43 WeakPolarHBondContact O-CA 3.42Å; Q26-C43 HydrophobicContact CG-CB 4.24Å; C43-W59 HydrophobicContact CB-CH2 3.53Å; C43-W59 HydrophobicContact CB-CZ2 3.55Å; C43-W59 HydrophobicContact CB-CZ3 4.49Å; C43-F95 HydrophobicContact CB-CB 4.46Å; C43-F95 PolarHBondContact N-O 2.56Å; C43-F95 PolarHBondContact O-N 2.95Å; C43-C112 HydrophobicContact CB-CB 3.5Å; C43-C112 WeakPolarHBondContact CB-SG 3.43Å; C43-C112 WeakPolarHBondContact SG-CB 3.17Å; C43-C112 CovalentContact SG-SG 2.02Å; C43-C112 PolarHBondContact SG-SG 3.21Å
44	R	98.7	Very high	97.4	Very high	152 Å²	152	73.6 Å²	73.6	57%	0.574	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	125.2	175.4	-179.6	171.8	-70.5	146.4	0.6	110.4	L24 T25 T93 D94	L24-R44 CarbonylContact C-O 3.58Å; L24-R44 WeakPolarHBondContact CA-O 3.5Å; T25-R44 PolarHBondContact N-O 3.37Å; T25-R44 PolarHBondContact O-N 3Å; R44-T93 CarbonylContact C-O 3.58Å; R44-T93 WeakPolarHBondContact CA-O 3.47Å; R44-D94 IonicContact CZ-OD1 3.21Å; R44-D94 IonicContact NE-OD1 2.79Å; R44-D94 PolarHBondContact NE-OD1 2.9Å; R44-D94 IonicContact NH2-OD1 2.77Å; R44-D94 PolarHBondContact NH2-OD1 2.79Å
45	A	98	Very high	97.4	Very high	3 Å²	3	70.1 Å²	70.1	3%	0.025	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	146.1	168.6	0	0	0	0	0	110.7	I22 L24 E47 V49 T93	I22-A45 HydrophobicContact CG2-CB 4Å; L24-A45 HydrophobicContact CD2-CB 3.56Å; A45-E47 WeakPolarHBondContact CB-O 3.48Å; A45-E47 PolarHBondContact O-N 2.62Å; A45-V49 HydrophobicContact CB-CG1 3.74Å; A45-T93 PolarHBondContact N-O 3.07Å
46	S	97	Very high	97.4	Very high	70 Å²	70	67.3 Å²	67.3	49%	0.49	36%	0.357	S	S	.	.	S	Bend	trans	-66.2	-26.7	175.6	46.8	0	0	0	0	113.1	V23	V23-S46 PolarHBondContact N-OG 2.96Å; V23-S46 PolarHBondContact O-N 2.65Å; V23-S46 PolarHBondContact O-OG 3.11Å
47	E	96.1	Very high	97.4	Very high	116 Å²	116	65.6 Å²	65.6	54%	0.542	34%	0.34	S	S	.	.	S	Bend	trans	-137.3	164.6	175.6	-63.8	-170.4	-143	0	0	110.3	A45 V49	A45-E47 WeakPolarHBondContact CB-O 3.48Å; A45-E47 PolarHBondContact O-N 2.62Å; E47-V49 PolarHBondContact O-N 2.81Å
48	S	97.1	Very high	97.4	Very high	49 Å²	49	60.8 Å²	60.8	34%	0.343	32%	0.318	S	S	.	.			trans	-61.5	127.3	179	173	0	0	0	0	110.7	D50 G92 K116	S48-D50 VanDerWaalsContact C-N 3.33Å; S48-D50 PolarHBondContact OG-N 3.27Å; S48-G92 WeakPolarHBondContact CA-O 3.22Å; S48-K116 VanDerWaalsContact O-CD 3.26Å; S48-K116 WeakPolarHBondContact O-CD 3.44Å; S48-K116 WeakPolarHBondContact O-CE 3.17Å; S48-K116 PolarHBondContact O-NZ 2.86Å
49	V	97.1	Very high	97.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.289	C	S	.	.			trans	-96.9	16.1	173.9	-56	0	0	0	0	112.4	I22 A45 E47 F56 M57 G92 F95 Q114 K116	I22-V49 HydrophobicContact CD1-CG1 4.21Å; I22-V49 HydrophobicContact CG2-CG1 4Å; A45-V49 HydrophobicContact CB-CG1 3.74Å; E47-V49 PolarHBondContact O-N 2.81Å; V49-F56 WeakPolarHBondContact O-CB 3.23Å; V49-F56 WeakPolarHBondContact O-CD2 3.27Å; V49-F56 PolarHBondContact O-N 2.91Å; V49-M57 HydrophobicContact CG2-CB 4.29Å; V49-M57 HydrophobicContact CG2-CE 4.25Å; V49-G92 PolarHBondContact N-O 2.82Å; V49-F95 HydrophobicContact CG2-CE1 4.4Å; V49-F95 HydrophobicContact CG2-CE2 3.38Å; V49-F95 HydrophobicContact CG2-CZ 3.31Å; V49-Q114 HydrophobicContact CB-CB 4.15Å; V49-Q114 HydrophobicContact CG1-CB 3.52Å; V49-Q114 HydrophobicContact CG1-CG 3.98Å; V49-K116 HydrophobicContact CB-CB 4.31Å
50	D	97.4	Very high	97.4	Very high	45 Å²	45	55 Å²	55	24%	0.241	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	146.3	174.9	-64.6	-9.1	0	0	0	111.6	S48 I54 S55 G92 K116	S48-D50 VanDerWaalsContact C-N 3.33Å; S48-D50 PolarHBondContact OG-N 3.27Å; D50-I54 CarbonylContact C-O 3.57Å; D50-I54 WeakPolarHBondContact CA-O 3.35Å; D50-S55 VanDerWaalsContact OD1-CA 3.31Å; D50-S55 WeakPolarHBondContact OD1-CA 3.41Å; D50-S55 WeakPolarHBondContact OD1-CB 3.49Å; D50-S55 PolarHBondContact OD1-OG 3Å; D50-G92 PolarHBondContact OD1-N 2.93Å; D50-G92 WeakPolarHBondContact OD2-CA 3.28Å; D50-G92 PolarHBondContact OD2-N 3.4Å; D50-K116 PolarHBondContact O-NZ 3.44Å
51	N	95.5	Very high	97.4	Very high	73 Å²	73	53.5 Å²	53.5	39%	0.39	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	135.1	166.8	-175.2	27.8	0	0	0	110.4	G53 I54 F56	N51-G53 PolarHBondContact O-N 3.27Å; N51-G53 VanDerWaalsContact O-N 3.11Å; N51-I54 PolarHBondContact N-O 3.21Å; N51-I54 PolarHBondContact O-N 3.48Å; N51-I54 VanDerWaalsContact O-O 3.13Å; N51-F56 HydrophobicContact CB-CD2 4.11Å; N51-F56 HydrophobicContact CB-CE2 3.52Å; N51-F56 HydrophobicContact CB-CZ 4.28Å
52	Y	94.2	Very high	97.4	Very high	212 Å²	212	55.4 Å²	55.4	83%	0.831	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	37.8	-177.8	-58.9	-70.6	0	0	0	115.5	I54	Y52-I54 VanDerWaalsContact C-N 3.26Å; Y52-I54 PolarHBondContact O-N 3.03Å
53	G	93.3	Very high	97.3	Very high	82 Å²	82	54.4 Å²	54.4	85%	0.845	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	6.8	-179.3	0	0	0	0	0	114.9	N51	N51-G53 PolarHBondContact O-N 3.27Å; N51-G53 VanDerWaalsContact O-N 3.11Å
54	I	95.8	Very high	97.2	Very high	88 Å²	88	59.9 Å²	59.9	45%	0.451	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	130.5	175.2	-58.2	172.8	0	0	0	108.3	D50 N51 Y52 F56 A74	D50-I54 CarbonylContact C-O 3.57Å; D50-I54 WeakPolarHBondContact CA-O 3.35Å; N51-I54 PolarHBondContact N-O 3.21Å; N51-I54 PolarHBondContact O-N 3.48Å; N51-I54 VanDerWaalsContact O-O 3.13Å; Y52-I54 VanDerWaalsContact C-N 3.26Å; Y52-I54 PolarHBondContact O-N 3.03Å; I54-F56 HydrophobicContact CB-CE2 3.98Å; I54-F56 HydrophobicContact CB-CZ 4.4Å; I54-F56 HydrophobicContact CG2-CD2 4.45Å; I54-F56 HydrophobicContact CG2-CE2 4.04Å; I54-F56 HydrophobicContact CG2-CZ 4.28Å; I54-F56 WeakPolarHBondContact O-CD2 3.5Å; I54-F56 WeakPolarHBondContact O-CE2 3.34Å; I54-A74 HydrophobicContact CG2-CB 4.21Å
55	S	98.1	Very high	97.1	Very high	14 Å²	14	57 Å²	57	10%	0.098	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	117.3	173.3	-61.2	0	0	0	0	110.5	D50 M57 A74 A75	D50-S55 VanDerWaalsContact OD1-CA 3.31Å; D50-S55 WeakPolarHBondContact OD1-CA 3.41Å; D50-S55 WeakPolarHBondContact OD1-CB 3.49Å; D50-S55 PolarHBondContact OD1-OG 3Å; S55-M57 PolarHBondContact O-N 2.78Å; S55-A74 CarbonylContact O-C 3.57Å; S55-A74 WeakPolarHBondContact O-CA 3.47Å; S55-A75 PolarHBondContact O-N 2.93Å
56	F	97.4	Very high	97.1	Very high	54 Å²	54	60.6 Å²	60.6	24%	0.237	35%	0.352	C	S	.	.			trans	-82.6	36.8	-175.5	-68.7	-101.2	0	0	0	112.5	V49 N51 I54 Q114 S115 K116	V49-F56 WeakPolarHBondContact O-CB 3.23Å; V49-F56 WeakPolarHBondContact O-CD2 3.27Å; V49-F56 PolarHBondContact O-N 2.91Å; N51-F56 HydrophobicContact CB-CD2 4.11Å; N51-F56 HydrophobicContact CB-CE2 3.52Å; N51-F56 HydrophobicContact CB-CZ 4.28Å; I54-F56 HydrophobicContact CB-CE2 3.98Å; I54-F56 HydrophobicContact CB-CZ 4.4Å; I54-F56 HydrophobicContact CG2-CD2 4.45Å; I54-F56 HydrophobicContact CG2-CE2 4.04Å; I54-F56 HydrophobicContact CG2-CZ 4.28Å; I54-F56 WeakPolarHBondContact O-CD2 3.5Å; I54-F56 WeakPolarHBondContact O-CE2 3.34Å; F56-Q114 CarbonylContact O-C 3.53Å; F56-Q114 VanDerWaalsContact O-CA 3.24Å; F56-Q114 WeakPolarHBondContact O-CA 3.45Å; F56-S115 PolarHBondContact O-N 2.77Å; F56-S115 PolarHBondContact O-OG 2.98Å; F56-K116 HydrophobicContact CB-CB 3.99Å; F56-K116 HydrophobicContact CG-CB 4.3Å
57	M	98.5	Very high	97.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.3	175.4	-175.2	57.3	71.8	0	0	110.7	L24 V49 S55 A74 A75 F95 C112 Q114	L24-M57 HydrophobicContact CD1-CE 4.44Å; L24-M57 HydrophobicContact CD2-CE 3.89Å; V49-M57 HydrophobicContact CG2-CB 4.29Å; V49-M57 HydrophobicContact CG2-CE 4.25Å; S55-M57 PolarHBondContact O-N 2.78Å; M57-A74 PolarHBondContact O-N 2.83Å; M57-A75 HydrophobicContact CB-CB 4.27Å; M57-A75 WeakPolarHBondContact O-CA 3.28Å; M57-A75 PolarHBondContact O-N 2.83Å; M57-F95 HydrophobicContact CB-CD1 3.56Å; M57-F95 HydrophobicContact CB-CD2 4.1Å; M57-F95 HydrophobicContact CB-CE1 3.61Å; M57-F95 HydrophobicContact CB-CE2 4.14Å; M57-F95 HydrophobicContact CB-CG 3.82Å; M57-F95 HydrophobicContact CB-CZ 3.9Å; M57-F95 HydrophobicContact CE-CD2 3.42Å; M57-F95 VanDerWaalsContact CE-CD2 3.42Å; M57-F95 HydrophobicContact CE-CE2 3.77Å; M57-F95 HydrophobicContact CE-CG 4.05Å; M57-F95 HydrophobicContact CG-CB 3.92Å; M57-F95 HydrophobicContact CG-CD1 3.78Å; M57-F95 HydrophobicContact CG-CD2 3.94Å; M57-F95 HydrophobicContact CG-CE1 4.31Å; M57-F95 HydrophobicContact CG-CE2 4.46Å; M57-F95 HydrophobicContact CG-CG 3.57Å; M57-C112 HydrophobicContact SD-CB 3.7Å; M57-Q114 HydrophobicContact CE-CB 4.46Å
58	N	98.6	Very high	97.2	Very high	18 Å²	18	59 Å²	59	10%	0.096	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	151.2	177.4	-50.7	-61.6	0	0	0	109.7	F60 L70 I72 Y73 A74 C112 Q113 S115	N58-F60 HydrophobicContact CB-CE2 3.84Å; N58-F60 HydrophobicContact CB-CZ 4.47Å; N58-L70 HydrophobicContact CB-CD1 4.27Å; N58-I72 CarbonylContact C-O 3.55Å; N58-I72 VanDerWaalsContact CA-O 3.26Å; N58-I72 WeakPolarHBondContact CA-O 3Å; N58-Y73 VanDerWaalsContact OD1-CA 3.3Å; N58-Y73 WeakPolarHBondContact OD1-CA 3.41Å; N58-Y73 WeakPolarHBondContact OD1-CB 3.46Å; N58-A74 PolarHBondContact OD1-N 3.04Å; N58-C112 CarbonylContact O-C 3.6Å; N58-C112 WeakPolarHBondContact O-CA 3.4Å; N58-Q113 PolarHBondContact N-O 3.16Å; N58-Q113 PolarHBondContact ND2-OE1 3.04Å; N58-Q113 PolarHBondContact O-N 3.33Å; N58-S115 PolarHBondContact ND2-OG 2.77Å
59	W	98.8	Very high	97.3	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140.9	174.1	-68.5	89	0	0	0	110	I41 C43 L71 I72 L97 F111 C112	I41-W59 HydrophobicContact CB-CH2 4.15Å; I41-W59 HydrophobicContact CB-CZ3 4.15Å; I41-W59 HydrophobicContact CG2-CH2 3.88Å; I41-W59 HydrophobicContact CG2-CZ3 3.8Å; C43-W59 HydrophobicContact CB-CH2 3.53Å; C43-W59 HydrophobicContact CB-CZ2 3.55Å; C43-W59 HydrophobicContact CB-CZ3 4.49Å; W59-L71 HydrophobicContact CB-CB 4.44Å; W59-L71 WeakPolarHBondContact O-CA 3.39Å; W59-L71 WeakPolarHBondContact O-CB 3.21Å; W59-L71 PolarHBondContact O-N 3.19Å; W59-I72 HydrophobicContact CB-CB 4.04Å; W59-I72 HydrophobicContact CB-CG1 4.37Å; W59-I72 HydrophobicContact CG-CB 4.39Å; W59-I72 PolarHBondContact N-O 2.92Å; W59-I72 PolarHBondContact O-N 3.11Å; W59-I72 VanDerWaalsContact O-N 3.17Å; W59-L97 HydrophobicContact CB-CD1 4.45Å; W59-L97 HydrophobicContact CB-CD2 4.49Å; W59-L97 HydrophobicContact CD2-CB 3.6Å; W59-L97 HydrophobicContact CD2-CD2 4.19Å; W59-L97 HydrophobicContact CD2-CG 4.35Å; W59-L97 HydrophobicContact CE3-CB 3.74Å; W59-L97 HydrophobicContact CE3-CD2 3.85Å; W59-L97 HydrophobicContact CE3-CG 4.39Å; W59-L97 HydrophobicContact CG-CB 4.15Å; W59-L97 HydrophobicContact CG-CD1 4.34Å; W59-L97 HydrophobicContact CG-CD2 4.48Å; W59-L97 HydrophobicContact CH2-CB 3.96Å; W59-L97 HydrophobicContact CZ2-CB 3.85Å; W59-L97 HydrophobicContact CZ3-CB 3.92Å; W59-L97 HydrophobicContact CZ3-CD2 4.39Å; W59-F111 CarbonylContact C-O 3.58Å; W59-F111 WeakPolarHBondContact CA-O 3.36Å; W59-C112 HydrophobicContact CD2-CB 4.03Å; W59-C112 HydrophobicContact CE3-CB 3.91Å; W59-C112 HydrophobicContact CH2-CB 4.03Å; W59-C112 HydrophobicContact CZ2-CB 4.11Å; W59-C112 HydrophobicContact CZ3-CB 3.92Å
60	F	98.7	Very high	97.3	Very high	43 Å²	43	65.7 Å²	65.7	19%	0.189	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.2	178.4	-65.7	-97.5	0	0	0	110.5	N58 P68 K69 L70 Y110 F111 Q113	N58-F60 HydrophobicContact CB-CE2 3.84Å; N58-F60 HydrophobicContact CB-CZ 4.47Å; F60-P68 HydrophobicContact CB-CB 4.43Å; F60-P68 HydrophobicContact CD1-CB 4.43Å; F60-K69 CarbonylContact C-O 3.5Å; F60-K69 VanDerWaalsContact CA-O 3.23Å; F60-K69 WeakPolarHBondContact CA-O 3.17Å; F60-L70 HydrophobicContact CD1-CB 4.38Å; F60-L70 HydrophobicContact CD1-CD1 4.46Å; F60-L70 HydrophobicContact CE1-CB 4.08Å; F60-L70 HydrophobicContact CE1-CD1 3.92Å; F60-L70 HydrophobicContact CE2-CD1 4.3Å; F60-L70 HydrophobicContact CZ-CD1 3.83Å; F60-Y110 WeakPolarHBondContact O-CA 3.36Å; F60-F111 HydrophobicContact CB-CD1 4.16Å; F60-F111 HydrophobicContact CB-CD2 3.81Å; F60-F111 HydrophobicContact CB-CE1 3.75Å; F60-F111 HydrophobicContact CB-CE2 3.35Å; F60-F111 HydrophobicContact CB-CG 4.21Å; F60-F111 HydrophobicContact CB-CZ 3.34Å; F60-F111 HydrophobicContact CD1-CE2 4.41Å; F60-F111 HydrophobicContact CD1-CZ 4.49Å; F60-F111 AromaticContact CD2-CD2 3.99Å; F60-F111 HydrophobicContact CD2-CD2 3.99Å; F60-F111 AromaticContact CD2-CE2 3.61Å; F60-F111 HydrophobicContact CD2-CE2 3.61Å; F60-F111 HydrophobicContact CD2-CZ 4.39Å; F60-F111 HydrophobicContact CG-CD2 4.2Å; F60-F111 AromaticContact CG-CE2 3.54Å; F60-F111 HydrophobicContact CG-CE2 3.54Å; F60-F111 AromaticContact CG-CZ 3.86Å; F60-F111 HydrophobicContact CG-CZ 3.86Å; F60-F111 PolarHBondContact N-O 3.25Å; F60-F111 PolarHBondContact O-N 3.45Å; F60-F111 VanDerWaalsContact O-N 3.11Å; F60-Q113 HydrophobicContact CD2-CB 4.39Å; F60-Q113 HydrophobicContact CE2-CB 4.03Å
61	Q	98.5	Very high	97.4	Very high	24 Å²	24	63.7 Å²	63.7	11%	0.112	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.1	170.7	-175.2	-170.2	50.8	0	0	109	P68 K69 L71 A108 M109 Y110	Q61-P68 WeakPolarHBondContact O-CA 3.46Å; Q61-K69 PolarHBondContact N-O 2.79Å; Q61-K69 PolarHBondContact O-N 2.82Å; Q61-L71 HydrophobicContact CB-CD1 4.48Å; Q61-A108 HydrophobicContact CG-CB 3.51Å; Q61-M109 CarbonylContact C-O 3.59Å; Q61-M109 WeakPolarHBondContact CA-O 3.34Å; Q61-Y110 HydrophobicContact CB-CD1 4.16Å; Q61-Y110 HydrophobicContact CB-CE1 3.92Å; Q61-Y110 HydrophobicContact CG-CD1 4.24Å; Q61-Y110 HydrophobicContact CG-CE1 3.69Å; Q61-Y110 PolarHBondContact NE2-OH 3.42Å
62	Q	98.4	Very high	97.6	Very high	60 Å²	60	60.2 Å²	60.2	28%	0.28	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	113.1	172.8	-172.9	176.8	22.6	0	0	110.6	Q66 P68 A108 M109 F111	Q62-Q66 VanDerWaalsContact CG-O 3.28Å; Q62-Q66 WeakPolarHBondContact CG-O 3.4Å; Q62-Q66 PolarHBondContact NE2-O 2.02Å; Q62-P68 HydrophobicContact CB-CB 4.39Å; Q62-P68 HydrophobicContact CB-CG 4.33Å; Q62-P68 HydrophobicContact CG-CG 4.24Å; Q62-A108 WeakPolarHBondContact O-CB 3.41Å; Q62-M109 HydrophobicContact CB-CB 4.38Å; Q62-M109 PolarHBondContact N-O 3.11Å; Q62-M109 PolarHBondContact O-N 3.41Å; Q62-F111 HydrophobicContact CB-CE1 4.23Å
63	K	97.4	Very high	97.8	Very high	38 Å²	38	55 Å²	55	17%	0.165	33%	0.326	C	S	.	.			trans	-82.1	154	172.1	-67.7	-178.7	-178.7	-179.6	0	110.5	G65 Q66 D105 A108	K63-G65 PolarHBondContact O-N 2.83Å; K63-Q66 HydrophobicContact CB-CB 4.29Å; K63-Q66 HydrophobicContact CB-CG 4.31Å; K63-Q66 PolarHBondContact O-N 2.81Å; K63-D105 VanDerWaalsContact CE-O 3.23Å; K63-D105 WeakPolarHBondContact CE-O 3.47Å; K63-D105 PolarHBondContact NZ-O 3.44Å; K63-D105 IonicContact NZ-OD1 2.65Å; K63-D105 PolarHBondContact NZ-OD1 3.08Å; K63-D105 IonicContact NZ-OD2 2.62Å; K63-D105 PolarHBondContact NZ-OD2 2.87Å; K63-A108 HydrophobicContact CG-CB 4.02Å
64	P	96.3	Very high	98	Very high	116 Å²	116	52.2 Å²	52.2	75%	0.753	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	128.9	176.2	-27.4	35.3	0	0	0	112.1	Q66	P64-Q66 PolarHBondContact O-N 2.83Å
65	G	97.2	Very high	98.1	Very high	93 Å²	93	48.2 Å²	48.2	96%	0.959	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	3.1	179.4	0	0	0	0	0	115.8	K63	K63-G65 PolarHBondContact O-N 2.83Å
66	Q	97.6	Very high	98.1	Very high	78 Å²	78	50.5 Å²	50.5	36%	0.364	29%	0.291	S	S	.	.	S	Bend	trans	-108.1	152.9	176.8	-64.3	-174.2	36.9	0	0	111.2	Q62 K63 P64	Q62-Q66 VanDerWaalsContact CG-O 3.28Å; Q62-Q66 WeakPolarHBondContact CG-O 3.4Å; Q62-Q66 PolarHBondContact NE2-O 2.02Å; K63-Q66 HydrophobicContact CB-CB 4.29Å; K63-Q66 HydrophobicContact CB-CG 4.31Å; K63-Q66 PolarHBondContact O-N 2.81Å; P64-Q66 PolarHBondContact O-N 2.83Å
67	P	97.7	Very high	98.2	Very high	92 Å²	92	51.2 Å²	51.2	60%	0.597	30%	0.297	S	S	*	.			trans	-67.2	156.7	168.4	30.1	-35.2	0	0	0	110.4
68	P	97.9	Very high	98.2	Very high	61 Å²	61	55.1 Å²	55.1	40%	0.396	32%	0.315	S	S	.	.			trans	-59.9	143.7	171.6	-21.5	32.7	0	0	0	112.7	F60 Q61 Q62 F111	F60-P68 HydrophobicContact CB-CB 4.43Å; F60-P68 HydrophobicContact CD1-CB 4.43Å; Q61-P68 WeakPolarHBondContact O-CA 3.46Å; Q62-P68 HydrophobicContact CB-CB 4.39Å; Q62-P68 HydrophobicContact CB-CG 4.33Å; Q62-P68 HydrophobicContact CG-CG 4.24Å; P68-F111 HydrophobicContact CB-CE1 3.85Å; P68-F111 HydrophobicContact CB-CZ 3.45Å; P68-F111 VanDerWaalsContact CB-CZ 3.45Å; P68-F111 HydrophobicContact CG-CE1 4Å; P68-F111 HydrophobicContact CG-CZ 3.7Å
69	K	98.1	Very high	98.1	Very high	115 Å²	115	54.6 Å²	54.6	50%	0.5	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138.4	176	-66.8	179	-179.4	169.3	0	109.9	F60 Q61 L71	F60-K69 CarbonylContact C-O 3.5Å; F60-K69 VanDerWaalsContact CA-O 3.23Å; F60-K69 WeakPolarHBondContact CA-O 3.17Å; Q61-K69 PolarHBondContact N-O 2.79Å; Q61-K69 PolarHBondContact O-N 2.82Å; K69-L71 PolarHBondContact O-N 2.85Å
70	L	98.6	Very high	98.1	Very high	73 Å²	73	60.9 Å²	60.9	38%	0.382	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	124.1	174.3	-178.6	65.7	0	0	0	109.5	N58 F60 I72 Y73	N58-L70 HydrophobicContact CB-CD1 4.27Å; F60-L70 HydrophobicContact CD1-CB 4.38Å; F60-L70 HydrophobicContact CD1-CD1 4.46Å; F60-L70 HydrophobicContact CE1-CB 4.08Å; F60-L70 HydrophobicContact CE1-CD1 3.92Å; F60-L70 HydrophobicContact CE2-CD1 4.3Å; F60-L70 HydrophobicContact CZ-CD1 3.83Å; L70-I72 WeakPolarHBondContact CD1-O 3.43Å; L70-Y73 HydrophobicContact CD2-CD1 4.4Å
71	L	98.6	Very high	98	Very high	4 Å²	4	62.9 Å²	62.9	2%	0.021	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-55.6	-178.4	-171.4	71.8	0	0	0	110.8	W59 Q61 K69 G79 V82 F86 L97 Y110	W59-L71 HydrophobicContact CB-CB 4.44Å; W59-L71 WeakPolarHBondContact O-CA 3.39Å; W59-L71 WeakPolarHBondContact O-CB 3.21Å; W59-L71 PolarHBondContact O-N 3.19Å; Q61-L71 HydrophobicContact CB-CD1 4.48Å; K69-L71 PolarHBondContact O-N 2.85Å; L71-G79 PolarHBondContact O-N 2.88Å; L71-V82 HydrophobicContact CD1-CB 4.46Å; L71-V82 HydrophobicContact CD1-CG1 3.58Å; L71-V82 HydrophobicContact CD1-CG2 4.04Å; L71-V82 HydrophobicContact CG-CG1 4.26Å; L71-F86 HydrophobicContact CD1-CB 4.34Å; L71-F86 HydrophobicContact CD1-CD1 3.77Å; L71-F86 HydrophobicContact CD1-CD2 4.16Å; L71-F86 HydrophobicContact CD1-CE1 3.98Å; L71-F86 HydrophobicContact CD1-CE2 4.37Å; L71-F86 HydrophobicContact CD1-CG 3.84Å; L71-F86 HydrophobicContact CD1-CZ 4.26Å; L71-F86 HydrophobicContact CD2-CD1 3.7Å; L71-F86 HydrophobicContact CD2-CE1 4.06Å; L71-F86 HydrophobicContact CD2-CG 4.42Å; L71-F86 HydrophobicContact CG-CB 4.47Å; L71-F86 HydrophobicContact CG-CD1 4.09Å; L71-F86 HydrophobicContact CG-CG 4.34Å; L71-L97 HydrophobicContact CD2-CD1 3.7Å; L71-L97 HydrophobicContact CD2-CD2 3.66Å; L71-L97 HydrophobicContact CD2-CG 4.31Å; L71-Y110 HydrophobicContact CD2-CD1 3.95Å; L71-Y110 HydrophobicContact CD2-CE1 3.8Å
72	I	98.8	Very high	98	Very high	0 Å²	0	63 Å²	63	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.6	176.3	-54.3	-65.3	0	0	0	108.4	N58 W59 L70 N77 Q78 F86 L97	N58-I72 CarbonylContact C-O 3.55Å; N58-I72 VanDerWaalsContact CA-O 3.26Å; N58-I72 WeakPolarHBondContact CA-O 3Å; W59-I72 HydrophobicContact CB-CB 4.04Å; W59-I72 HydrophobicContact CB-CG1 4.37Å; W59-I72 HydrophobicContact CG-CB 4.39Å; W59-I72 PolarHBondContact N-O 2.92Å; W59-I72 PolarHBondContact O-N 3.11Å; W59-I72 VanDerWaalsContact O-N 3.17Å; L70-I72 WeakPolarHBondContact CD1-O 3.43Å; I72-N77 CarbonylContact C-O 3.51Å; I72-N77 VanDerWaalsContact CA-O 3.22Å; I72-N77 WeakPolarHBondContact CA-O 3.39Å; I72-N77 WeakPolarHBondContact CG2-O 3.02Å; I72-Q78 HydrophobicContact CD1-CG 3.98Å; I72-F86 HydrophobicContact CD1-CB 4.47Å; I72-L97 HydrophobicContact CG1-CD1 3.77Å
73	Y	98.4	Very high	98	Very high	103 Å²	103	62.8 Å²	62.8	40%	0.404	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	161.6	169.4	71.7	-84.8	0	0	0	110.8	N58 L70 A75 S76 N77 Q78	N58-Y73 VanDerWaalsContact OD1-CA 3.3Å; N58-Y73 WeakPolarHBondContact OD1-CA 3.41Å; N58-Y73 WeakPolarHBondContact OD1-CB 3.46Å; L70-Y73 HydrophobicContact CD2-CD1 4.4Å; Y73-A75 PolarHBondContact O-N 3.24Å; Y73-S76 PolarHBondContact O-N 3.08Å; Y73-N77 HydrophobicContact CD1-CB 3.79Å; Y73-N77 WeakPolarHBondContact CD1-O 3.29Å; Y73-N77 HydrophobicContact CD2-CB 4.05Å; Y73-N77 HydrophobicContact CE1-CB 3.38Å; Y73-N77 HydrophobicContact CE2-CB 3.66Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.16Å; Y73-N77 HydrophobicContact CG-CB 4.11Å; Y73-N77 PolarHBondContact N-O 2.78Å; Y73-N77 WeakPolarHBondContact O-CB 3.13Å; Y73-N77 PolarHBondContact O-N 3.36Å; Y73-Q78 WeakPolarHBondContact CE1-O 3.29Å
74	A	97.8	Very high	98	Very high	23 Å²	23	65.3 Å²	65.3	19%	0.19	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	43.8	-179.1	0	0	0	0	0	112.9	I54 S55 M57 N58 S76	I54-A74 HydrophobicContact CG2-CB 4.21Å; S55-A74 CarbonylContact O-C 3.57Å; S55-A74 WeakPolarHBondContact O-CA 3.47Å; M57-A74 PolarHBondContact O-N 2.83Å; N58-A74 PolarHBondContact OD1-N 3.04Å; A74-S76 PolarHBondContact O-N 3.37Å; A74-S76 PolarHBondContact O-OG 2.88Å
75	A	98.5	Very high	98.1	Very high	3 Å²	3	61.4 Å²	61.4	3%	0.025	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	-24.2	-175.4	0	0	0	0	0	117.7	S55 M57 Y73 G88 S89 F95	S55-A75 PolarHBondContact O-N 2.93Å; M57-A75 HydrophobicContact CB-CB 4.27Å; M57-A75 WeakPolarHBondContact O-CA 3.28Å; M57-A75 PolarHBondContact O-N 2.83Å; Y73-A75 PolarHBondContact O-N 3.24Å; A75-G88 CarbonylContact O-C 3.22Å; A75-G88 WeakPolarHBondContact O-CA 3.33Å; A75-S89 PolarHBondContact O-N 2.88Å; A75-F95 HydrophobicContact CB-CD1 3.77Å; A75-F95 HydrophobicContact CB-CE1 3.69Å
76	S	98.3	Very high	98.2	Very high	63 Å²	63	57.1 Å²	57.1	44%	0.441	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.7	-15.8	-167.5	57.3	0	0	0	0	115.9	Y73 A74	Y73-S76 PolarHBondContact O-N 3.08Å; A74-S76 PolarHBondContact O-N 3.37Å; A74-S76 PolarHBondContact O-OG 2.88Å
77	N	98.4	Very high	98.3	Very high	69 Å²	69	55.8 Å²	55.8	37%	0.369	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	131	-176.6	-63.4	-38.4	0	0	0	111.5	I72 Y73	I72-N77 CarbonylContact C-O 3.51Å; I72-N77 VanDerWaalsContact CA-O 3.22Å; I72-N77 WeakPolarHBondContact CA-O 3.39Å; I72-N77 WeakPolarHBondContact CG2-O 3.02Å; Y73-N77 HydrophobicContact CD1-CB 3.79Å; Y73-N77 WeakPolarHBondContact CD1-O 3.29Å; Y73-N77 HydrophobicContact CD2-CB 4.05Å; Y73-N77 HydrophobicContact CE1-CB 3.38Å; Y73-N77 HydrophobicContact CE2-CB 3.66Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.16Å; Y73-N77 HydrophobicContact CG-CB 4.11Å; Y73-N77 PolarHBondContact N-O 2.78Å; Y73-N77 WeakPolarHBondContact O-CB 3.13Å; Y73-N77 PolarHBondContact O-N 3.36Å
78	Q	98.5	Very high	98.3	Very high	81 Å²	81	51.9 Å²	51.9	38%	0.379	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	139.1	174.4	-68.1	93	-10.3	0	0	112.5	I72 Y73 V82 F86	I72-Q78 HydrophobicContact CD1-CG 3.98Å; Y73-Q78 WeakPolarHBondContact CE1-O 3.29Å; Q78-V82 HydrophobicContact CB-CB 4.09Å; Q78-V82 HydrophobicContact CB-CG1 4.18Å; Q78-V82 HydrophobicContact CG-CG1 4.14Å; Q78-F86 PolarHBondContact NE2-O 3.15Å
79	G	98.4	Very high	98.3	Very high	7 Å²	7	51.4 Å²	51.4	7%	0.072	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-64.3	163.8	167.3	0	0	0	0	0	112.5	L71 G81 V82	L71-G79 PolarHBondContact O-N 2.88Å; G79-G81 PolarHBondContact O-N 3.17Å; G79-V82 VanDerWaalsContact O-CB 3.28Å; G79-V82 WeakPolarHBondContact O-CB 3.47Å; G79-V82 WeakPolarHBondContact O-CG2 3.26Å; G79-V82 PolarHBondContact O-N 3.26Å; G79-V82 VanDerWaalsContact O-N 3.08Å
80	S	97.7	Very high	98.3	Very high	133 Å²	133	47.7 Å²	47.7	93%	0.93	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	126.1	179.3	-59.8	0	0	0	0	112.1	V82	S80-V82 PolarHBondContact O-N 3.45Å
81	G	97.6	Very high	98.3	Very high	84 Å²	84	47.8 Å²	47.8	87%	0.866	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	4.6	179.6	0	0	0	0	0	114.8	G79 P83	G79-G81 PolarHBondContact O-N 3.17Å; G81-P83 WeakPolarHBondContact O-CD 3.5Å
82	V	98.2	Very high	98.3	Very high	27 Å²	27	48.3 Å²	48.3	16%	0.164	33%	0.331	C	S	.	.			trans	-75.5	125.8	175.2	172.3	0	0	0	0	109.5	L71 Q78 G79 S80 F86	L71-V82 HydrophobicContact CD1-CB 4.46Å; L71-V82 HydrophobicContact CD1-CG1 3.58Å; L71-V82 HydrophobicContact CD1-CG2 4.04Å; L71-V82 HydrophobicContact CG-CG1 4.26Å; Q78-V82 HydrophobicContact CB-CB 4.09Å; Q78-V82 HydrophobicContact CB-CG1 4.18Å; Q78-V82 HydrophobicContact CG-CG1 4.14Å; G79-V82 VanDerWaalsContact O-CB 3.28Å; G79-V82 WeakPolarHBondContact O-CB 3.47Å; G79-V82 WeakPolarHBondContact O-CG2 3.26Å; G79-V82 PolarHBondContact O-N 3.26Å; G79-V82 VanDerWaalsContact O-N 3.08Å; S80-V82 PolarHBondContact O-N 3.45Å; V82-F86 HydrophobicContact CG1-CB 3.77Å; V82-F86 HydrophobicContact CG1-CD2 3.86Å; V82-F86 HydrophobicContact CG1-CG 4.03Å
83	P	98.2	Very high	98.3	Very high	55 Å²	55	50.6 Å²	50.6	36%	0.357	35%	0.345	S	S	.	.			trans	-61.3	147.3	179.4	-27	36.5	0	0	0	113.4	G81 R85 F86	G81-P83 WeakPolarHBondContact O-CD 3.5Å; P83-R85 HydrophobicContact CB-CG 4.05Å; P83-R85 PolarHBondContact O-N 2.86Å; P83-F86 HydrophobicContact CB-CD2 4.12Å; P83-F86 HydrophobicContact CB-CE2 4.35Å; P83-F86 HydrophobicContact CG-CD2 4.33Å; P83-F86 HydrophobicContact CG-CE2 4.19Å; P83-F86 WeakPolarHBondContact O-CD2 3.22Å; P83-F86 PolarHBondContact O-N 2.9Å
84	A	98.1	Very high	98.3	Very high	91 Å²	91	49 Å²	49	75%	0.752	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.3	-179.4	0	0	0	0	0	114.6	F86	A84-F86 PolarHBondContact O-N 2.8Å
85	R	98.3	Very high	98.3	Very high	35 Å²	35	48.3 Å²	48.3	13%	0.132	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.7	172.7	71.9	167.8	-178.8	-83	-3.5	113.2	P83 I99 H100 P101 E103 D106	P83-R85 HydrophobicContact CB-CG 4.05Å; P83-R85 PolarHBondContact O-N 2.86Å; R85-I99 WeakPolarHBondContact O-CA 3.17Å; R85-H100 WeakPolarHBondContact CA-O 3.43Å; R85-H100 VanDerWaalsContact CB-O 3.27Å; R85-H100 WeakPolarHBondContact CB-O 3.14Å; R85-H100 PolarHBondContact O-N 2.72Å; R85-P101 WeakPolarHBondContact CD-O 3.3Å; R85-E103 WeakPolarHBondContact CD-OE1 3.47Å; R85-E103 IonicContact CZ-OE1 3.38Å; R85-E103 IonicContact CZ-OE2 3.87Å; R85-E103 IonicContact NE-OE1 3.27Å; R85-E103 IonicContact NE-OE2 3.68Å; R85-E103 IonicContact NH1-OE1 2.67Å; R85-E103 PolarHBondContact NH1-OE1 2.89Å; R85-E103 IonicContact NH1-OE2 2.9Å; R85-E103 PolarHBondContact NH1-OE2 3.29Å; R85-E103 IonicContact NH2-OE2 3.49Å; R85-E103 PolarHBondContact NH2-OE2 3.18Å; R85-D106 IonicContact CZ-OD1 3.72Å; R85-D106 IonicContact CZ-OD2 3.16Å; R85-D106 IonicContact NE-OD1 2.99Å; R85-D106 PolarHBondContact NE-OD1 3.32Å; R85-D106 IonicContact NE-OD2 2.84Å; R85-D106 PolarHBondContact NE-OD2 3.15Å; R85-D106 IonicContact NH2-OD1 3.72Å; R85-D106 PolarHBondContact NH2-OD1 2.8Å; R85-D106 IonicContact NH2-OD2 3.42Å
86	F	98.8	Very high	98.4	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.013	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	130.9	172.9	-64.6	-85.1	0	0	0	109.8	L71 I72 Q78 V82 P83 A84 N98 I99 D106 Y110	L71-F86 HydrophobicContact CD1-CB 4.34Å; L71-F86 HydrophobicContact CD1-CD1 3.77Å; L71-F86 HydrophobicContact CD1-CD2 4.16Å; L71-F86 HydrophobicContact CD1-CE1 3.98Å; L71-F86 HydrophobicContact CD1-CE2 4.37Å; L71-F86 HydrophobicContact CD1-CG 3.84Å; L71-F86 HydrophobicContact CD1-CZ 4.26Å; L71-F86 HydrophobicContact CD2-CD1 3.7Å; L71-F86 HydrophobicContact CD2-CE1 4.06Å; L71-F86 HydrophobicContact CD2-CG 4.42Å; L71-F86 HydrophobicContact CG-CB 4.47Å; L71-F86 HydrophobicContact CG-CD1 4.09Å; L71-F86 HydrophobicContact CG-CG 4.34Å; I72-F86 HydrophobicContact CD1-CB 4.47Å; Q78-F86 PolarHBondContact NE2-O 3.15Å; V82-F86 HydrophobicContact CG1-CB 3.77Å; V82-F86 HydrophobicContact CG1-CD2 3.86Å; V82-F86 HydrophobicContact CG1-CG 4.03Å; P83-F86 HydrophobicContact CB-CD2 4.12Å; P83-F86 HydrophobicContact CB-CE2 4.35Å; P83-F86 HydrophobicContact CG-CD2 4.33Å; P83-F86 HydrophobicContact CG-CE2 4.19Å; P83-F86 WeakPolarHBondContact O-CD2 3.22Å; P83-F86 PolarHBondContact O-N 2.9Å; A84-F86 PolarHBondContact O-N 2.8Å; F86-N98 WeakPolarHBondContact CA-O 3.4Å; F86-I99 HydrophobicContact CD1-CB 4.34Å; F86-I99 HydrophobicContact CD1-CD1 4.24Å; F86-I99 HydrophobicContact CD1-CG1 3.75Å; F86-I99 HydrophobicContact CD1-CG2 3.99Å; F86-I99 HydrophobicContact CE1-CB 4.34Å; F86-I99 HydrophobicContact CE1-CD1 3.8Å; F86-I99 HydrophobicContact CE1-CG1 3.79Å; F86-I99 HydrophobicContact CE1-CG2 3.7Å; F86-I99 HydrophobicContact CZ-CG2 4.19Å; F86-D106 WeakPolarHBondContact CZ-OD1 3.24Å; F86-Y110 HydrophobicContact CE1-CE1 4.12Å
87	S	98.7	Very high	98.4	Very high	49 Å²	49	46.2 Å²	46.2	34%	0.343	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	139.6	175.3	51.7	0	0	0	0	110.3	N98	S87-N98 PolarHBondContact N-O 3.28Å; S87-N98 PolarHBondContact O-N 2.77Å
88	G	98.7	Very high	98.4	Very high	10 Å²	10	44.3 Å²	44.3	10%	0.103	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	154.8	167.7	0	0	0	0	0	110.8	A75 S96	A75-G88 CarbonylContact O-C 3.22Å; A75-G88 WeakPolarHBondContact O-CA 3.33Å; G88-S96 CarbonylContact C-O 3.6Å; G88-S96 WeakPolarHBondContact CA-O 3.46Å
89	S	98.4	Very high	98.4	Very high	52 Å²	52	40.6 Å²	40.6	36%	0.364	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	160.9	172.9	54.8	0	0	0	0	110.6	A75 F95 S96	A75-S89 PolarHBondContact O-N 2.88Å; S89-F95 CarbonylContact O-C 3.48Å; S89-F95 VanDerWaalsContact O-CA 3.29Å; S89-F95 WeakPolarHBondContact O-CA 3.45Å; S89-S96 PolarHBondContact N-O 2.96Å; S89-S96 PolarHBondContact O-N 2.97Å; S89-S96 PolarHBondContact OG-OG 3.43Å
90	G	98.3	Very high	98.4	Very high	37 Å²	37	44.5 Å²	44.5	38%	0.381	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	125.3	169.3	177.3	0	0	0	0	0	113.1	D94 F95	G90-D94 WeakPolarHBondContact CA-O 3.39Å; G90-F95 VanDerWaalsContact C-CE1 3.43Å
91	S	98.3	Very high	98.5	Very high	75 Å²	75	40.8 Å²	40.8	52%	0.524	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	161.4	178.8	58.2	0	0	0	0	109	T93 D94	S91-T93 PolarHBondContact O-N 3.3Å; S91-D94 PolarHBondContact N-O 3.24Å; S91-D94 PolarHBondContact O-N 3.26Å
92	G	98.1	Very high	98.5	Very high	14 Å²	14	38 Å²	38	14%	0.144	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	-107	179.5	0	0	0	0	0	110.6	S48 V49 D50 F95	S48-G92 WeakPolarHBondContact CA-O 3.22Å; V49-G92 PolarHBondContact N-O 2.82Å; D50-G92 PolarHBondContact OD1-N 2.93Å; D50-G92 WeakPolarHBondContact OD2-CA 3.28Å; D50-G92 PolarHBondContact OD2-N 3.4Å; G92-F95 VanDerWaalsContact O-CE2 3.29Å; G92-F95 WeakPolarHBondContact O-CE2 3.23Å; G92-F95 WeakPolarHBondContact O-CZ 3.41Å
93	T	98.4	Very high	98.5	Very high	49 Å²	49	40.7 Å²	40.7	30%	0.301	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-19.4	-175.9	47.4	0	0	0	0	113.6	R44 A45 S91	R44-T93 CarbonylContact C-O 3.58Å; R44-T93 WeakPolarHBondContact CA-O 3.47Å; A45-T93 PolarHBondContact N-O 3.07Å; S91-T93 PolarHBondContact O-N 3.3Å
94	D	98.7	Very high	98.4	Very high	69 Å²	69	46 Å²	46	37%	0.369	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.3	-166.1	-67.1	-93.5	0	0	0	111.5	R44 G90 S91	R44-D94 IonicContact CZ-OD1 3.21Å; R44-D94 IonicContact NE-OD1 2.79Å; R44-D94 PolarHBondContact NE-OD1 2.9Å; R44-D94 IonicContact NH2-OD1 2.77Å; R44-D94 PolarHBondContact NH2-OD1 2.79Å; G90-D94 WeakPolarHBondContact CA-O 3.39Å; S91-D94 PolarHBondContact N-O 3.24Å; S91-D94 PolarHBondContact O-N 3.26Å
95	F	98.8	Very high	98.3	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.035	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	155.3	-176	-58.5	-87.4	0	0	0	111.5	S42 C43 V49 M57 A75 S89 G90 G92	S42-F95 CarbonylContact C-O 3.59Å; S42-F95 WeakPolarHBondContact CA-O 3.21Å; C43-F95 HydrophobicContact CB-CB 4.46Å; C43-F95 PolarHBondContact N-O 2.56Å; C43-F95 PolarHBondContact O-N 2.95Å; V49-F95 HydrophobicContact CG2-CE1 4.4Å; V49-F95 HydrophobicContact CG2-CE2 3.38Å; V49-F95 HydrophobicContact CG2-CZ 3.31Å; M57-F95 HydrophobicContact CB-CD1 3.56Å; M57-F95 HydrophobicContact CB-CD2 4.1Å; M57-F95 HydrophobicContact CB-CE1 3.61Å; M57-F95 HydrophobicContact CB-CE2 4.14Å; M57-F95 HydrophobicContact CB-CG 3.82Å; M57-F95 HydrophobicContact CB-CZ 3.9Å; M57-F95 HydrophobicContact CE-CD2 3.42Å; M57-F95 VanDerWaalsContact CE-CD2 3.42Å; M57-F95 HydrophobicContact CE-CE2 3.77Å; M57-F95 HydrophobicContact CE-CG 4.05Å; M57-F95 HydrophobicContact CG-CB 3.92Å; M57-F95 HydrophobicContact CG-CD1 3.78Å; M57-F95 HydrophobicContact CG-CD2 3.94Å; M57-F95 HydrophobicContact CG-CE1 4.31Å; M57-F95 HydrophobicContact CG-CE2 4.46Å; M57-F95 HydrophobicContact CG-CG 3.57Å; A75-F95 HydrophobicContact CB-CD1 3.77Å; A75-F95 HydrophobicContact CB-CE1 3.69Å; S89-F95 CarbonylContact O-C 3.48Å; S89-F95 VanDerWaalsContact O-CA 3.29Å; S89-F95 WeakPolarHBondContact O-CA 3.45Å; G90-F95 VanDerWaalsContact C-CE1 3.43Å; G92-F95 VanDerWaalsContact O-CE2 3.29Å; G92-F95 WeakPolarHBondContact O-CE2 3.23Å; G92-F95 WeakPolarHBondContact O-CZ 3.41Å
96	S	98.8	Very high	98.3	Very high	22 Å²	22	44.7 Å²	44.7	15%	0.154	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	141.3	173.4	61.7	0	0	0	0	112	I41 G88 S89 N98	I41-S96 CarbonylContact O-C 3.47Å; I41-S96 WeakPolarHBondContact O-CA 3.44Å; G88-S96 CarbonylContact C-O 3.6Å; G88-S96 WeakPolarHBondContact CA-O 3.46Å; S89-S96 PolarHBondContact N-O 2.96Å; S89-S96 PolarHBondContact O-N 2.97Å; S89-S96 PolarHBondContact OG-OG 3.43Å; S96-N98 PolarHBondContact OG-ND2 3.38Å
97	L	98.9	Very high	98.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129	163.9	176.3	67.1	0	0	0	108.8	T40 I41 W59 L71 I72 I99 Y110	T40-L97 CarbonylContact C-O 2.99Å; T40-L97 WeakPolarHBondContact CA-O 3.32Å; I41-L97 HydrophobicContact CB-CB 4.48Å; I41-L97 HydrophobicContact CD1-CD2 4.45Å; I41-L97 PolarHBondContact N-O 2.92Å; I41-L97 PolarHBondContact O-N 3.2Å; W59-L97 HydrophobicContact CB-CD1 4.45Å; W59-L97 HydrophobicContact CB-CD2 4.49Å; W59-L97 HydrophobicContact CD2-CB 3.6Å; W59-L97 HydrophobicContact CD2-CD2 4.19Å; W59-L97 HydrophobicContact CD2-CG 4.35Å; W59-L97 HydrophobicContact CE3-CB 3.74Å; W59-L97 HydrophobicContact CE3-CD2 3.85Å; W59-L97 HydrophobicContact CE3-CG 4.39Å; W59-L97 HydrophobicContact CG-CB 4.15Å; W59-L97 HydrophobicContact CG-CD1 4.34Å; W59-L97 HydrophobicContact CG-CD2 4.48Å; W59-L97 HydrophobicContact CH2-CB 3.96Å; W59-L97 HydrophobicContact CZ2-CB 3.85Å; W59-L97 HydrophobicContact CZ3-CB 3.92Å; W59-L97 HydrophobicContact CZ3-CD2 4.39Å; L71-L97 HydrophobicContact CD2-CD1 3.7Å; L71-L97 HydrophobicContact CD2-CD2 3.66Å; L71-L97 HydrophobicContact CD2-CG 4.31Å; I72-L97 HydrophobicContact CG1-CD1 3.77Å; L97-I99 HydrophobicContact CG-CG1 4.45Å; L97-Y110 HydrophobicContact CD2-CD1 3.58Å; L97-Y110 HydrophobicContact CD2-CE1 4.17Å; L97-Y110 HydrophobicContact CD2-CG 4.21Å
98	N	98.7	Very high	98.2	Very high	30 Å²	30	48.8 Å²	48.8	16%	0.16	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.1	175.6	-66.5	-75	0	0	0	110	A39 T40 F86 S87 S96	A39-N98 WeakPolarHBondContact O-CA 3.4Å; T40-N98 WeakPolarHBondContact CG2-OD1 3.4Å; T40-N98 PolarHBondContact OG1-OD1 2.81Å; F86-N98 WeakPolarHBondContact CA-O 3.4Å; S87-N98 PolarHBondContact N-O 3.28Å; S87-N98 PolarHBondContact O-N 2.77Å; S96-N98 PolarHBondContact OG-ND2 3.38Å
99	I	98.7	Very high	98.2	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.015	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	113.3	175.7	-44.2	173.9	0	0	0	107	R38 A39 R85 F86 L97 M102 D106 Y110	R38-I99 WeakPolarHBondContact CA-O 3.42Å; A39-I99 HydrophobicContact CB-CB 4.23Å; A39-I99 PolarHBondContact N-O 2.89Å; A39-I99 PolarHBondContact O-N 3.29Å; R85-I99 WeakPolarHBondContact O-CA 3.17Å; F86-I99 HydrophobicContact CD1-CB 4.34Å; F86-I99 HydrophobicContact CD1-CD1 4.24Å; F86-I99 HydrophobicContact CD1-CG1 3.75Å; F86-I99 HydrophobicContact CD1-CG2 3.99Å; F86-I99 HydrophobicContact CE1-CB 4.34Å; F86-I99 HydrophobicContact CE1-CD1 3.8Å; F86-I99 HydrophobicContact CE1-CG1 3.79Å; F86-I99 HydrophobicContact CE1-CG2 3.7Å; F86-I99 HydrophobicContact CZ-CG2 4.19Å; L97-I99 HydrophobicContact CG-CG1 4.45Å; I99-M102 HydrophobicContact CG2-SD 4.26Å; I99-D106 WeakPolarHBondContact CG2-OD2 3.31Å; I99-Y110 HydrophobicContact CD1-CE1 3.88Å; I99-Y110 HydrophobicContact CD1-CE2 4.12Å
100	H	98.5	Very high	98.2	Very high	88 Å²	88	53.4 Å²	53.4	41%	0.407	30%	0.302	S	S	.	.			trans	-157.2	124.8	178.4	-176.5	64.4	0	0	0	112.5	G36 Q37 R38 R85	G36-H100 PolarHBondContact O-CE1 2.86Å; G36-H100 VanDerWaalsContact O-CE1 3.27Å; Q37-H100 PolarHBondContact O-ND1 2.81Å; R38-H100 HydrophobicContact CB-CB 4.17Å; R38-H100 HydrophobicContact CG-CB 4.17Å; R85-H100 WeakPolarHBondContact CA-O 3.43Å; R85-H100 VanDerWaalsContact CB-O 3.27Å; R85-H100 WeakPolarHBondContact CB-O 3.14Å; R85-H100 PolarHBondContact O-N 2.72Å
101	P	98.6	Very high	98.2	Very high	56 Å²	56	54.6 Å²	54.6	36%	0.364	30%	0.297	S	S	.	.	S	Bend	cis	-74.4	147.3	-1.2	29.8	-34.3	0	0	0	112.9	R85	R85-P101 WeakPolarHBondContact CD-O 3.3Å
102	M	98.3	Very high	98.2	Very high	26 Å²	26	51.5 Å²	51.5	13%	0.128	28%	0.275	C	S	.	.			trans	-65.5	130.8	170.7	-170.4	70.6	-177.2	0	0	110.8	V33 L35 G36 Q37 A39 I99 D106	V33-M102 HydrophobicContact CB-CG 4.38Å; V33-M102 HydrophobicContact CG1-CB 4.28Å; V33-M102 HydrophobicContact CG1-CG 4.4Å; L35-M102 WeakPolarHBondContact CA-O 3.45Å; G36-M102 PolarHBondContact N-O 2.67Å; Q37-M102 WeakPolarHBondContact O-CB 3.27Å; Q37-M102 PolarHBondContact O-N 2.81Å; A39-M102 HydrophobicContact CB-SD 4.24Å; I99-M102 HydrophobicContact CG2-SD 4.26Å; M102-D106 HydrophobicContact CE-CB 3.37Å; M102-D106 HydrophobicContact SD-CB 3.61Å
103	E	98.3	Very high	98.2	Very high	83 Å²	83	53.9 Å²	53.9	39%	0.388	28%	0.282	S	S	.	.			trans	-114	165	176.7	-68.9	174	-155.9	0	0	111.8	L35 R85 D105 D106	L35-E103 VanDerWaalsContact CD2-C 3.46Å; R85-E103 WeakPolarHBondContact CD-OE1 3.47Å; R85-E103 IonicContact CZ-OE1 3.38Å; R85-E103 IonicContact CZ-OE2 3.87Å; R85-E103 IonicContact NE-OE1 3.27Å; R85-E103 IonicContact NE-OE2 3.68Å; R85-E103 IonicContact NH1-OE1 2.67Å; R85-E103 PolarHBondContact NH1-OE1 2.89Å; R85-E103 IonicContact NH1-OE2 2.9Å; R85-E103 PolarHBondContact NH1-OE2 3.29Å; R85-E103 IonicContact NH2-OE2 3.49Å; R85-E103 PolarHBondContact NH2-OE2 3.18Å; E103-D105 PolarHBondContact O-N 2.75Å; E103-D106 PolarHBondContact N-OD2 3.49Å; E103-D106 WeakPolarHBondContact O-CB 3.33Å; E103-D106 PolarHBondContact O-N 2.91Å
104	E	96.3	Very high	98.1	Very high	165 Å²	165	52.6 Å²	52.6	77%	0.771	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-60	-37.3	-179.7	-174	175.4	-178.7	0	0	112.1	L35 D106 T107	L35-E104 HydrophobicContact CD2-CB 4.4Å; E104-D106 PolarHBondContact O-N 3.05Å; E104-T107 PolarHBondContact O-OG1 3.14Å
105	D	96.2	Very high	97.9	Very high	98 Å²	98	51.5 Å²	51.5	52%	0.524	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-77.4	0.6	-178.4	-167.2	44.5	0	0	0	114	K63 E103 T107	K63-D105 VanDerWaalsContact CE-O 3.23Å; K63-D105 WeakPolarHBondContact CE-O 3.47Å; K63-D105 PolarHBondContact NZ-O 3.44Å; K63-D105 IonicContact NZ-OD1 2.65Å; K63-D105 PolarHBondContact NZ-OD1 3.08Å; K63-D105 IonicContact NZ-OD2 2.62Å; K63-D105 PolarHBondContact NZ-OD2 2.87Å; E103-D105 PolarHBondContact O-N 2.75Å; D105-T107 VanDerWaalsContact C-N 3.32Å
106	D	98	Very high	97.7	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-87.6	0.5	177	-65	-27	0	0	0	112.9	R85 F86 I99 M102 E103 E104 A108 Y110	R85-D106 IonicContact CZ-OD1 3.72Å; R85-D106 IonicContact CZ-OD2 3.16Å; R85-D106 IonicContact NE-OD1 2.99Å; R85-D106 PolarHBondContact NE-OD1 3.32Å; R85-D106 IonicContact NE-OD2 2.84Å; R85-D106 PolarHBondContact NE-OD2 3.15Å; R85-D106 IonicContact NH2-OD1 3.72Å; R85-D106 PolarHBondContact NH2-OD1 2.8Å; R85-D106 IonicContact NH2-OD2 3.42Å; F86-D106 WeakPolarHBondContact CZ-OD1 3.24Å; I99-D106 WeakPolarHBondContact CG2-OD2 3.31Å; M102-D106 HydrophobicContact CE-CB 3.37Å; M102-D106 HydrophobicContact SD-CB 3.61Å; E103-D106 PolarHBondContact N-OD2 3.49Å; E103-D106 WeakPolarHBondContact O-CB 3.33Å; E103-D106 PolarHBondContact O-N 2.91Å; E104-D106 PolarHBondContact O-N 3.05Å; D106-A108 PolarHBondContact O-N 3Å; D106-Y110 WeakPolarHBondContact O-CE2 3.26Å; D106-Y110 PolarHBondContact O-OH 3.36Å
107	T	97.6	Very high	97.2	Very high	111 Å²	111	58 Å²	58	68%	0.681	30%	0.297	S	S	*	.			trans	-70.5	99.9	173.4	-56.5	0	0	0	0	110.2	E104 D105	E104-T107 PolarHBondContact O-OG1 3.14Å; D105-T107 VanDerWaalsContact C-N 3.32Å
108	A	98.1	Very high	96.2	Very high	28 Å²	28	63.4 Å²	63.4	23%	0.231	33%	0.33	C	S	.	.	S	Bend	trans	-155.9	169.9	-176.3	0	0	0	0	0	111.7	Q61 Q62 K63 D106 Y110	Q61-A108 HydrophobicContact CG-CB 3.51Å; Q62-A108 WeakPolarHBondContact O-CB 3.41Å; K63-A108 HydrophobicContact CG-CB 4.02Å; D106-A108 PolarHBondContact O-N 3Å; A108-Y110 HydrophobicContact CB-CD2 4.49Å; A108-Y110 HydrophobicContact CB-CE2 3.89Å; A108-Y110 WeakPolarHBondContact O-CD2 3.34Å
109	M	98.3	Very high	94.5	Very high	129 Å²	129	70.3 Å²	70.3	64%	0.635	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	138.8	162.1	-66.3	179.4	62.2	0	0	109.5	Q61 Q62	Q61-M109 CarbonylContact C-O 3.59Å; Q61-M109 WeakPolarHBondContact CA-O 3.34Å; Q62-M109 HydrophobicContact CB-CB 4.38Å; Q62-M109 PolarHBondContact N-O 3.11Å; Q62-M109 PolarHBondContact O-N 3.41Å
110	Y	98.6	Very high	94.3	Very high	29 Å²	29	73.7 Å²	73.7	11%	0.114	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.9	177.2	-66.1	-91.2	0	0	0	109.8	Q26 I41 F60 Q61 L71 F86 L97 I99 D106 A108	Q26-Y110 PolarHBondContact NE2-O 3.31Å; Q26-Y110 VanDerWaalsContact NE2-O 3.11Å; I41-Y110 HydrophobicContact CD1-CD2 4.06Å; I41-Y110 HydrophobicContact CD1-CG 3.93Å; F60-Y110 WeakPolarHBondContact O-CA 3.36Å; Q61-Y110 HydrophobicContact CB-CD1 4.16Å; Q61-Y110 HydrophobicContact CB-CE1 3.92Å; Q61-Y110 HydrophobicContact CG-CD1 4.24Å; Q61-Y110 HydrophobicContact CG-CE1 3.69Å; Q61-Y110 PolarHBondContact NE2-OH 3.42Å; L71-Y110 HydrophobicContact CD2-CD1 3.95Å; L71-Y110 HydrophobicContact CD2-CE1 3.8Å; F86-Y110 HydrophobicContact CE1-CE1 4.12Å; L97-Y110 HydrophobicContact CD2-CD1 3.58Å; L97-Y110 HydrophobicContact CD2-CE1 4.17Å; L97-Y110 HydrophobicContact CD2-CG 4.21Å; I99-Y110 HydrophobicContact CD1-CE1 3.88Å; I99-Y110 HydrophobicContact CD1-CE2 4.12Å; D106-Y110 WeakPolarHBondContact O-CE2 3.26Å; D106-Y110 PolarHBondContact O-OH 3.36Å; A108-Y110 HydrophobicContact CB-CD2 4.49Å; A108-Y110 HydrophobicContact CB-CE2 3.89Å; A108-Y110 WeakPolarHBondContact O-CD2 3.34Å
111	F	97.8	Very high	94.1	Very high	63 Å²	63	72.9 Å²	72.9	28%	0.276	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	144.9	178	58.1	-90.8	0	0	0	112.2	Q26 W59 F60 Q62 P68	Q26-F111 VanDerWaalsContact OE1-CA 3.23Å; W59-F111 CarbonylContact C-O 3.58Å; W59-F111 WeakPolarHBondContact CA-O 3.36Å; F60-F111 HydrophobicContact CB-CD1 4.16Å; F60-F111 HydrophobicContact CB-CD2 3.81Å; F60-F111 HydrophobicContact CB-CE1 3.75Å; F60-F111 HydrophobicContact CB-CE2 3.35Å; F60-F111 HydrophobicContact CB-CG 4.21Å; F60-F111 HydrophobicContact CB-CZ 3.34Å; F60-F111 HydrophobicContact CD1-CE2 4.41Å; F60-F111 HydrophobicContact CD1-CZ 4.49Å; F60-F111 AromaticContact CD2-CD2 3.99Å; F60-F111 HydrophobicContact CD2-CD2 3.99Å; F60-F111 AromaticContact CD2-CE2 3.61Å; F60-F111 HydrophobicContact CD2-CE2 3.61Å; F60-F111 HydrophobicContact CD2-CZ 4.39Å; F60-F111 HydrophobicContact CG-CD2 4.2Å; F60-F111 AromaticContact CG-CE2 3.54Å; F60-F111 HydrophobicContact CG-CE2 3.54Å; F60-F111 AromaticContact CG-CZ 3.86Å; F60-F111 HydrophobicContact CG-CZ 3.86Å; F60-F111 PolarHBondContact N-O 3.25Å; F60-F111 PolarHBondContact O-N 3.45Å; F60-F111 VanDerWaalsContact O-N 3.11Å; Q62-F111 HydrophobicContact CB-CE1 4.23Å; P68-F111 HydrophobicContact CB-CE1 3.85Å; P68-F111 HydrophobicContact CB-CZ 3.45Å; P68-F111 VanDerWaalsContact CB-CZ 3.45Å; P68-F111 HydrophobicContact CG-CE1 4Å; P68-F111 HydrophobicContact CG-CZ 3.7Å
112	C	98.4	Very high	93.9	Very high	10 Å²	10	73.8 Å²	73.8	7%	0.068	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	151.2	173.3	65.3	0	0	0	0	110.3	Q26 C43 M57 N58 W59	Q26-C112 WeakPolarHBondContact CG-SG 3.41Å; Q26-C112 PolarHBondContact OE1-SG 3.48Å; C43-C112 HydrophobicContact CB-CB 3.5Å; C43-C112 WeakPolarHBondContact CB-SG 3.43Å; C43-C112 WeakPolarHBondContact SG-CB 3.17Å; C43-C112 CovalentContact SG-SG 2.02Å; C43-C112 PolarHBondContact SG-SG 3.21Å; M57-C112 HydrophobicContact SD-CB 3.7Å; N58-C112 CarbonylContact O-C 3.6Å; N58-C112 WeakPolarHBondContact O-CA 3.4Å; W59-C112 HydrophobicContact CD2-CB 4.03Å; W59-C112 HydrophobicContact CE3-CB 3.91Å; W59-C112 HydrophobicContact CH2-CB 4.03Å; W59-C112 HydrophobicContact CZ2-CB 4.11Å; W59-C112 HydrophobicContact CZ3-CB 3.92Å
113	Q	97.6	Very high	93.6	Very high	63 Å²	63	76.6 Å²	76.6	29%	0.294	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	134.6	177.9	173.7	-93.5	-42.6	0	0	109.1	N58 F60	N58-Q113 PolarHBondContact N-O 3.16Å; N58-Q113 PolarHBondContact ND2-OE1 3.04Å; N58-Q113 PolarHBondContact O-N 3.33Å; F60-Q113 HydrophobicContact CD2-CB 4.39Å; F60-Q113 HydrophobicContact CE2-CB 4.03Å
114	Q	96.9	Very high	93.3	Very high	22 Å²	22	76.3 Å²	76.3	10%	0.103	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	135.1	175.6	70.2	76	24.1	0	0	110.4	I22 L24 V49 F56 M57 E117	I22-Q114 HydrophobicContact CB-CG 4Å; I22-Q114 HydrophobicContact CG2-CG 3.88Å; L24-Q114 HydrophobicContact CD1-CB 4.39Å; L24-Q114 HydrophobicContact CD1-CG 4.4Å; L24-Q114 HydrophobicContact CD2-CB 4.25Å; L24-Q114 HydrophobicContact CD2-CG 4.14Å; L24-Q114 HydrophobicContact CG-CG 4.46Å; V49-Q114 HydrophobicContact CB-CB 4.15Å; V49-Q114 HydrophobicContact CG1-CB 3.52Å; V49-Q114 HydrophobicContact CG1-CG 3.98Å; F56-Q114 CarbonylContact O-C 3.53Å; F56-Q114 VanDerWaalsContact O-CA 3.24Å; F56-Q114 WeakPolarHBondContact O-CA 3.45Å; M57-Q114 HydrophobicContact CE-CB 4.46Å; Q114-E117 PolarHBondContact NE2-O 3.4Å
115	S	95.5	Very high	93.1	Very high	46 Å²	46	70.3 Å²	70.3	32%	0.322	39%	0.388	S	S	.	.			trans	-114.1	21.4	179.6	63	0	0	0	0	113.1	F56 N58	F56-S115 PolarHBondContact O-N 2.77Å; F56-S115 PolarHBondContact O-OG 2.98Å; N58-S115 PolarHBondContact ND2-OG 2.77Å
116	K	94.4	Very high	92.9	Very high	92 Å²	92	68.4 Å²	68.4	40%	0.4	38%	0.379	S	S	.	.	S	Bend	trans	-76.2	-45.2	175.2	175	175.8	175.9	169.2	0	110.6	I22 S48 V49 D50 F56	I22-K116 HydrophobicContact CD1-CB 4.44Å; I22-K116 HydrophobicContact CD1-CD 4.34Å; S48-K116 VanDerWaalsContact O-CD 3.26Å; S48-K116 WeakPolarHBondContact O-CD 3.44Å; S48-K116 WeakPolarHBondContact O-CE 3.17Å; S48-K116 PolarHBondContact O-NZ 2.86Å; V49-K116 HydrophobicContact CB-CB 4.31Å; D50-K116 PolarHBondContact O-NZ 3.44Å; F56-K116 HydrophobicContact CB-CB 3.99Å; F56-K116 HydrophobicContact CG-CB 4.3Å
117	E	87.9	Confident	92.5	Very high	74 Å²	74	73.5 Å²	73.5	35%	0.346	41%	0.407	S	S	.	.	S	Bend	trans	-124.2	122.9	-179.2	-171.4	163.7	-166.7	0	0	108.6	I22 Q114	I22-E117 HydrophobicContact CD1-CB 3.87Å; I22-E117 HydrophobicContact CG1-CB 4.29Å; Q114-E117 PolarHBondContact NE2-O 3.4Å
118	V	77.8	Confident	92.1	Very high	114 Å²	114	70.4 Å²	70.4	69%	0.691	39%	0.385	S	S	*	.			trans	-115.1	139.2	176.3	-96.9	0	0	0	0	107.4
119	P	63.4	Low	91.5	Very high	175 Å²	175	74.3 Å²	74.3	100%	1.136	40%	0.399	S	S	*	.			trans	-52.9	0	173.7	-25.5	34.1	0	0	0	113.7

Retrieved 119 of 119 residues in 74.2 ms (Link to these results)

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