A0A075B5N5_MOUSE Loading...

Immunoglobulin kappa variable 8-26

AlphaFold DB , UniProt , Accession A0A075B5N5, Species MOUSE (Mus musculus, Mouse), Gene Igkv8-26, Length 123 aa.

						>A0A075B5N5_MOUSE|A0A075B5N5|Igkv8-26
MESQNHVLMFLLLWVSDTCGDIVMTQSPSSLAVTAGEKVTMSCKSSQSLLWSVNQKNYLSWYQQKQRQPPKLLIYGASIRESWVPDRFTGSGSGTDFTLTISNVHAEDLAVYYCQHNHGSFLP
					

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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	46.2	Very low	51.8	Low	246 Å²	246	153.8 Å²	153.8	100%	1.212	78%	0.783	S	S	*	*				0	100.7	0	-72.6	161.8	84.4	0	0	105.9	S3	M1-S3 PolarHBondContact O-N 3.44Å
2	E	42.8	Very low	52.2	Low	187 Å²	187	151.2 Å²	151.2	87%	0.874	77%	0.771	S	S	*	*			trans	-72.7	126.5	-179	-71.1	-176.5	146.7	0	0	109.7
3	S	48.8	Very low	52.8	Low	111 Å²	111	149.5 Å²	149.5	78%	0.776	76%	0.764	S	S	*	*			trans	-77.1	117.1	168.6	174.6	0	0	0	0	107.7	M1	M1-S3 PolarHBondContact O-N 3.44Å
4	Q	45.9	Very low	53.3	Low	171 Å²	171	153.9 Å²	153.9	80%	0.799	77%	0.767	S	S	*	*			trans	-128.7	102.4	164.8	-77.3	-147.8	0.8	0	0	111
5	N	47.3	Very low	53.8	Low	141 Å²	141	150.1 Å²	150.1	75%	0.754	75%	0.754	S	S	*	*			trans	41.2	116	135.5	-65.5	0.2	0	0	0	119.7	V7	N5-V7 PolarHBondContact O-N 3.11Å
6	H	43.8	Very low	54.1	Low	177 Å²	177	146.1 Å²	146.1	82%	0.819	75%	0.745	S	S	*	*			trans	-49.7	129.2	155	-66.9	-95.6	0	0	0	112.2
7	V	58.6	Low	54.2	Low	126 Å²	126	145.4 Å²	145.4	76%	0.764	74%	0.743	S	S	*	*			trans	-125.4	94.8	142.5	-176.1	0	0	0	0	106.4	N5 M9	N5-V7 PolarHBondContact O-N 3.11Å; V7-M9 VanDerWaalsContact C-N 3.28Å; V7-M9 HydrophobicContact CG1-CG 4.38Å; V7-M9 PolarHBondContact O-N 2.9Å
8	L	53.8	Low	54.4	Low	122 Å²	122	144.2 Å²	144.2	64%	0.639	74%	0.744	S	S	*	*			trans	-68.3	89.4	173.1	-162.9	67.7	0	0	0	107.1	F10	L8-F10 VanDerWaalsContact C-N 3.31Å; L8-F10 HydrophobicContact CB-CD2 4.48Å; L8-F10 HydrophobicContact CB-CE2 4.29Å; L8-F10 HydrophobicContact CD2-CD2 4.11Å; L8-F10 HydrophobicContact CD2-CE1 4.32Å; L8-F10 HydrophobicContact CD2-CE2 3.2Å; L8-F10 HydrophobicContact CD2-CZ 3.32Å; L8-F10 HydrophobicContact CG-CD2 4.07Å; L8-F10 HydrophobicContact CG-CE2 3.64Å; L8-F10 HydrophobicContact CG-CZ 3.92Å; L8-F10 PolarHBondContact O-N 2.93Å
9	M	62.8	Low	54.6	Low	138 Å²	138	143.1 Å²	143.1	68%	0.68	75%	0.749	S	S	*	*			trans	-74.4	87.3	177.6	-105.6	-148.3	71.5	0	0	109.6	V7 L11	V7-M9 VanDerWaalsContact C-N 3.28Å; V7-M9 HydrophobicContact CG1-CG 4.38Å; V7-M9 PolarHBondContact O-N 2.9Å; M9-L11 HydrophobicContact CE-CB 4.24Å; M9-L11 HydrophobicContact CE-CD1 3.16Å; M9-L11 HydrophobicContact CE-CD2 4.37Å; M9-L11 HydrophobicContact CE-CG 3.3Å; M9-L11 PolarHBondContact O-N 3.17Å
10	F	57.8	Low	55	Low	157 Å²	157	138.8 Å²	138.8	69%	0.689	74%	0.74	S	S	*	*			trans	-70.2	77.3	164.3	-69.6	-78.7	0	0	0	109.9	L8 L12	L8-F10 VanDerWaalsContact C-N 3.31Å; L8-F10 HydrophobicContact CB-CD2 4.48Å; L8-F10 HydrophobicContact CB-CE2 4.29Å; L8-F10 HydrophobicContact CD2-CD2 4.11Å; L8-F10 HydrophobicContact CD2-CE1 4.32Å; L8-F10 HydrophobicContact CD2-CE2 3.2Å; L8-F10 HydrophobicContact CD2-CZ 3.32Å; L8-F10 HydrophobicContact CG-CD2 4.07Å; L8-F10 HydrophobicContact CG-CE2 3.64Å; L8-F10 HydrophobicContact CG-CZ 3.92Å; L8-F10 PolarHBondContact O-N 2.93Å; F10-L12 PolarHBondContact O-N 3.45Å; F10-L12 VanDerWaalsContact O-N 3.11Å
11	L	62.4	Low	56.2	Low	116 Å²	116	137.6 Å²	137.6	61%	0.607	73%	0.734	S	S	*	*			trans	-80.4	72.4	155	-90	165.9	0	0	0	107.5	M9 L13	M9-L11 HydrophobicContact CE-CB 4.24Å; M9-L11 HydrophobicContact CE-CD1 3.16Å; M9-L11 HydrophobicContact CE-CD2 4.37Å; M9-L11 HydrophobicContact CE-CG 3.3Å; M9-L11 PolarHBondContact O-N 3.17Å; L11-L13 HydrophobicContact CB-CG 4.46Å; L11-L13 HydrophobicContact CD2-CD2 4.12Å; L11-L13 HydrophobicContact CD2-CG 4.16Å; L11-L13 PolarHBondContact O-N 3.31Å
12	L	56.2	Low	58.2	Low	122 Å²	122	126.5 Å²	126.5	64%	0.639	68%	0.68	S	S	*	*			trans	-68.3	82.6	152.8	-70.9	168.3	0	0	0	105.2	F10 W14	F10-L12 PolarHBondContact O-N 3.45Å; F10-L12 VanDerWaalsContact O-N 3.11Å; L12-W14 PolarHBondContact O-N 2.71Å
13	L	60.4	Low	60.6	Low	130 Å²	130	121.8 Å²	121.8	68%	0.681	66%	0.664	S	S	*	*			trans	-64.8	90.5	163.7	-75.4	165.7	0	0	0	105.5	L11 V15	L11-L13 HydrophobicContact CB-CG 4.46Å; L11-L13 HydrophobicContact CD2-CD2 4.12Å; L11-L13 HydrophobicContact CD2-CG 4.16Å; L11-L13 PolarHBondContact O-N 3.31Å; L13-V15 HydrophobicContact CB-CG2 4.15Å; L13-V15 PolarHBondContact O-N 3.2Å
14	W	59.7	Low	62.8	Low	211 Å²	211	118.7 Å²	118.7	80%	0.799	64%	0.637	S	S	*	*			trans	-66.4	75.9	158.9	-60.1	83.3	0	0	0	106	L12 S16	L12-W14 PolarHBondContact O-N 2.71Å; W14-S16 PolarHBondContact O-N 2.66Å
15	V	60.4	Low	65.2	Low	96 Å²	96	114.7 Å²	114.7	58%	0.582	63%	0.625	S	S	*	*			trans	-75.5	80.6	156.6	-167.2	0	0	0	0	103.9	L13 D17	L13-V15 HydrophobicContact CB-CG2 4.15Å; L13-V15 PolarHBondContact O-N 3.2Å; V15-D17 WeakPolarHBondContact CG1-OD1 3.47Å; V15-D17 PolarHBondContact O-N 3.4Å
16	S	57.9	Low	67.6	Low	87 Å²	87	111.2 Å²	111.2	61%	0.608	60%	0.604	S	S	*	*			trans	-65.4	84.5	154.3	-50.3	0	0	0	0	104	W14 T18	W14-S16 PolarHBondContact O-N 2.66Å; S16-T18 PolarHBondContact O-N 2.99Å
17	D	56.9	Low	70.2	Confident	133 Å²	133	105.7 Å²	105.7	71%	0.711	59%	0.585	S	S	*	*			trans	-56.8	94.8	158.7	-76	-38.1	0	0	0	104.2	V15 C19	V15-D17 WeakPolarHBondContact CG1-OD1 3.47Å; V15-D17 PolarHBondContact O-N 3.4Å; D17-C19 PolarHBondContact O-N 3.03Å
18	T	58	Low	72	Confident	124 Å²	124	102.4 Å²	102.4	76%	0.761	57%	0.567	S	S	*	*			trans	-62.7	96.8	163.3	55.7	0	0	0	0	103.4	S16 G20	S16-T18 PolarHBondContact O-N 2.99Å; T18-G20 PolarHBondContact O-N 3.04Å
19	C	58.5	Low	73.9	Confident	124 Å²	124	102.4 Å²	102.4	84%	0.838	58%	0.577	S	S	*	*			trans	-53.8	97	164.9	-85	0	0	0	0	105.6	D17 D21	D17-C19 PolarHBondContact O-N 3.03Å; C19-D21 VanDerWaalsContact C-N 3.26Å; C19-D21 PolarHBondContact O-N 2.79Å
20	G	62.4	Low	75.4	Confident	56 Å²	56	100.5 Å²	100.5	58%	0.577	58%	0.577	S	S	*	*			trans	-72.6	89.4	179.6	0	0	0	0	0	106.9	T18 Q47	T18-G20 PolarHBondContact O-N 3.04Å; G20-Q47 PolarHBondContact O-NE2 2.85Å
21	D	80.4	Confident	77	Confident	114 Å²	114	98 Å²	98	61%	0.61	57%	0.57	S	S	*	*			trans	-63.2	147.2	171.9	-164.1	7.2	0	0	0	109.5	C19 V23	C19-D21 VanDerWaalsContact C-N 3.26Å; C19-D21 PolarHBondContact O-N 2.79Å; D21-V23 PolarHBondContact O-N 2.8Å; D21-V23 VanDerWaalsContact O-N 3.09Å
22	I	87.7	Confident	78.5	Confident	14 Å²	14	97.2 Å²	97.2	7%	0.072	58%	0.581	C	S	.	*			trans	-77	102	179	-64.8	178.9	0	0	0	108.2	M24 S45 Q47 L49 F121	I22-M24 HydrophobicContact CG2-SD 3.86Å; I22-S45 WeakPolarHBondContact CG2-OG 3.34Å; I22-Q47 HydrophobicContact CG1-CB 4.33Å; I22-Q47 HydrophobicContact CG1-CG 4.42Å; I22-L49 HydrophobicContact CD1-CD2 4.11Å; I22-L49 HydrophobicContact CG2-CD2 4.13Å; I22-F121 HydrophobicContact CD1-CD1 3.93Å; I22-F121 HydrophobicContact CD1-CD2 3.64Å; I22-F121 HydrophobicContact CD1-CE1 3.98Å; I22-F121 HydrophobicContact CD1-CE2 3.72Å; I22-F121 HydrophobicContact CD1-CG 3.77Å; I22-F121 HydrophobicContact CD1-CZ 3.89Å
23	V	92.7	Very high	80.3	Confident	88 Å²	88	94.3 Å²	94.3	53%	0.533	57%	0.568	S	S	.	*			trans	-74.9	129.6	175	-175.8	0	0	0	0	110.5	D21 S46	D21-V23 PolarHBondContact O-N 2.8Å; D21-V23 VanDerWaalsContact O-N 3.09Å; V23-S46 PolarHBondContact N-OG 2.89Å; V23-S46 PolarHBondContact O-N 2.96Å; V23-S46 PolarHBondContact O-OG 3.27Å
24	M	94.7	Very high	81.9	Confident	45 Å²	45	92.6 Å²	92.6	22%	0.222	56%	0.563	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.6	131	173.9	-55.4	-58.3	-60.8	0	0	110	I22 C43 K44 S45 L49 L59 H116	I22-M24 HydrophobicContact CG2-SD 3.86Å; M24-C43 WeakPolarHBondContact CE-SG 3.12Å; M24-K44 CarbonylContact C-O 3.53Å; M24-K44 WeakPolarHBondContact CA-O 3.34Å; M24-S45 PolarHBondContact SD-OG 2.89Å; M24-S45 VanDerWaalsContact SD-OG 3.37Å; M24-L49 HydrophobicContact CE-CD1 4.09Å; M24-L49 HydrophobicContact SD-CD1 4.36Å; M24-L59 HydrophobicContact CE-CD1 3.62Å; M24-H116 HydrophobicContact SD-CB 4.27Å
25	T	97.3	Very high	83.6	Confident	87 Å²	87	86.1 Å²	86.1	53%	0.534	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.1	132.3	178.8	-57.1	0	0	0	0	110.3	C43 K44	T25-C43 CarbonylContact O-C 3.55Å; T25-C43 WeakPolarHBondContact O-CA 3.48Å; T25-K44 PolarHBondContact N-O 3.43Å; T25-K44 PolarHBondContact O-N 3.27Å
26	Q	97.5	Very high	85.4	Confident	68 Å²	68	83.8 Å²	83.8	32%	0.318	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	147.5	-178.4	-75.2	177	-142.2	0	0	112.9	S42 C43 Y112 C114	Q26-S42 VanDerWaalsContact CA-O 3.26Å; Q26-S42 WeakPolarHBondContact CA-O 3.32Å; Q26-C43 HydrophobicContact CG-CB 4.29Å; Q26-Y112 PolarHBondContact NE2-O 2.82Å; Q26-Y112 VanDerWaalsContact NE2-O 3.1Å; Q26-C114 VanDerWaalsContact CG-SG 3.56Å; Q26-C114 PolarHBondContact OE1-SG 2.96Å
27	S	98	Very high	87.2	Confident	61 Å²	61	84.1 Å²	84.1	43%	0.427	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	147.1	172.8	61.9	0	0	0	0	112.3	M41 S42	S27-M41 CarbonylContact O-C 3.51Å; S27-M41 WeakPolarHBondContact O-CA 3.38Å; S27-S42 PolarHBondContact N-O 3.25Å; S27-S42 PolarHBondContact O-N 3.03Å
28	P	96.7	Very high	89.2	Confident	58 Å²	58	84.9 Å²	84.9	38%	0.377	54%	0.538	S	S	.	.			cis	-68.6	161.3	-13.6	32.7	-35.8	0	0	0	111.6	L31	P28-L31 HydrophobicContact CG-CB 4.25Å; P28-L31 HydrophobicContact CG-CD1 4.36Å
29	S	93	Very high	91	Very high	122 Å²	122	79.5 Å²	79.5	85%	0.853	51%	0.505	S	S	*	.	S	Bend	trans	-73.7	-28.8	178.3	55.8	0	0	0	0	113.2
30	S	93.8	Very high	92.9	Very high	97 Å²	97	76.8 Å²	76.8	68%	0.678	49%	0.485	S	S	*	.			trans	-151.7	151.5	174.8	61	0	0	0	0	109
31	L	92.8	Very high	94.6	Very high	104 Å²	104	75.2 Å²	75.2	55%	0.545	46%	0.463	S	S	.	.			trans	-146.5	131.4	178.9	-167.8	68.9	0	0	0	109	P28 V33 V39	P28-L31 HydrophobicContact CG-CB 4.25Å; P28-L31 HydrophobicContact CG-CD1 4.36Å; L31-V33 HydrophobicContact CB-CG1 4.21Å; L31-V33 HydrophobicContact CD2-CG1 3.33Å; L31-V33 HydrophobicContact CG-CG1 3.44Å; L31-V33 VanDerWaalsContact CG-CG1 3.44Å; L31-V39 HydrophobicContact CD2-CB 4.29Å; L31-V39 HydrophobicContact CD2-CG1 3.52Å; L31-V39 HydrophobicContact CD2-CG2 3.87Å
32	A	94.1	Very high	95.4	Very high	101 Å²	101	71.1 Å²	71.1	84%	0.835	44%	0.443	S	S	*	.			trans	-94.2	127.3	167.1	0	0	0	0	0	108
33	V	92.8	Very high	95.9	Very high	60 Å²	60	70.4 Å²	70.4	36%	0.364	44%	0.44	S	S	.	.			trans	-138.4	147.6	-171.2	-59.1	0	0	0	0	110.3	L31 V39 V104	L31-V33 HydrophobicContact CB-CG1 4.21Å; L31-V33 HydrophobicContact CD2-CG1 3.33Å; L31-V33 HydrophobicContact CG-CG1 3.44Å; L31-V33 VanDerWaalsContact CG-CG1 3.44Å; V33-V39 HydrophobicContact CB-CG2 4.16Å; V33-V39 HydrophobicContact CG1-CG2 3.52Å; V33-V39 HydrophobicContact CG2-CG2 4.46Å; V33-V104 HydrophobicContact CG2-CG1 3.81Å; V33-V104 HydrophobicContact CG2-CG2 4.42Å
34	T	95	Very high	96.2	Very high	95 Å²	95	71.2 Å²	71.2	58%	0.583	44%	0.436	S	S	*	.			trans	-94.1	148	175.4	-46.7	0	0	0	0	109.3	G36 E37	T34-G36 PolarHBondContact O-N 2.86Å; T34-E37 WeakPolarHBondContact CA-OE2 3.25Å; T34-E37 WeakPolarHBondContact CB-OE2 3.38Å; T34-E37 PolarHBondContact N-OE2 2.94Å; T34-E37 WeakPolarHBondContact O-CB 3.39Å; T34-E37 WeakPolarHBondContact O-CG 3.17Å; T34-E37 PolarHBondContact O-N 2.89Å; T34-E37 VanDerWaalsContact O-N 3.17Å; T34-E37 PolarHBondContact OG1-OE2 3.38Å
35	A	95.6	Very high	96.2	Very high	74 Å²	74	69.6 Å²	69.6	61%	0.612	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	138.8	172.2	0	0	0	0	0	110.4	V104	A35-V104 CarbonylContact C-O 3.54Å; A35-V104 VanDerWaalsContact CA-O 3.25Å; A35-V104 WeakPolarHBondContact CA-O 3.49Å
36	G	96.7	Very high	96.1	Very high	47 Å²	47	68.7 Å²	68.7	49%	0.485	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.8	-22.1	-173.8	0	0	0	0	0	114.5	T34 N103 V104	T34-G36 PolarHBondContact O-N 2.86Å; G36-N103 WeakPolarHBondContact CA-OD1 3.27Å; G36-V104 PolarHBondContact N-O 3.3Å
37	E	97.3	Very high	95.8	Very high	95 Å²	95	69.5 Å²	69.5	44%	0.444	43%	0.43	S	S	.	.			trans	-76.1	154.9	-175.3	-66.5	-169.2	109.3	0	0	112.7	T34 V104	T34-E37 WeakPolarHBondContact CA-OE2 3.25Å; T34-E37 WeakPolarHBondContact CB-OE2 3.38Å; T34-E37 PolarHBondContact N-OE2 2.94Å; T34-E37 WeakPolarHBondContact O-CB 3.39Å; T34-E37 WeakPolarHBondContact O-CG 3.17Å; T34-E37 PolarHBondContact O-N 2.89Å; T34-E37 VanDerWaalsContact O-N 3.17Å; T34-E37 PolarHBondContact OG1-OE2 3.38Å; E37-V104 WeakPolarHBondContact O-CG2 3Å; E37-V104 PolarHBondContact O-N 2.93Å
38	K	97.8	Very high	95.6	Very high	148 Å²	148	69.6 Å²	69.6	64%	0.643	43%	0.431	S	S	*	.			trans	-93.4	129.3	170.2	174.4	178.9	175.7	-178.2	0	109.7	T100 I101	K38-T100 HydrophobicContact CD-CG2 4.41Å; K38-T100 HydrophobicContact CG-CG2 4.19Å; K38-I101 CarbonylContact C-O 3.55Å; K38-I101 VanDerWaalsContact CA-O 3.28Å; K38-I101 WeakPolarHBondContact CA-O 3.28Å
39	V	97	Very high	95.4	Very high	11 Å²	11	66.8 Å²	66.8	7%	0.067	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143.3	176.5	176.7	0	0	0	0	109.7	L31 V33 M41 T100 I101 V104	L31-V39 HydrophobicContact CD2-CB 4.29Å; L31-V39 HydrophobicContact CD2-CG1 3.52Å; L31-V39 HydrophobicContact CD2-CG2 3.87Å; V33-V39 HydrophobicContact CB-CG2 4.16Å; V33-V39 HydrophobicContact CG1-CG2 3.52Å; V33-V39 HydrophobicContact CG2-CG2 4.46Å; V39-M41 HydrophobicContact CG1-CG 4.33Å; V39-T100 CarbonylContact O-C 3.56Å; V39-T100 VanDerWaalsContact O-CA 3.25Å; V39-T100 WeakPolarHBondContact O-CA 3.48Å; V39-I101 HydrophobicContact CB-CB 4.46Å; V39-I101 PolarHBondContact N-O 3.37Å; V39-I101 PolarHBondContact O-N 3.42Å; V39-V104 HydrophobicContact CB-CG2 4.27Å; V39-V104 HydrophobicContact CG2-CG2 3.58Å
40	T	98	Very high	95.5	Very high	67 Å²	67	63.4 Å²	63.4	41%	0.411	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	127.4	169.2	-60.6	0	0	0	0	109.5	T98 L99 T100	T40-T98 HydrophobicContact CG2-CG2 4.23Å; T40-L99 CarbonylContact C-O 3.53Å; T40-L99 WeakPolarHBondContact CA-O 2.99Å; T40-T100 PolarHBondContact OG1-OG1 3.06Å; T40-T100 VanDerWaalsContact OG1-OG1 3.12Å
41	M	97.7	Very high	95.3	Very high	23 Å²	23	62.3 Å²	62.3	11%	0.113	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.5	174.1	-64	171.3	-77.4	0	0	108.6	S27 V39 W61 T98 L99 I101 Y112	S27-M41 CarbonylContact O-C 3.51Å; S27-M41 WeakPolarHBondContact O-CA 3.38Å; V39-M41 HydrophobicContact CG1-CG 4.33Å; M41-W61 HydrophobicContact CB-CH2 4.38Å; M41-T98 CarbonylContact O-C 3.51Å; M41-T98 WeakPolarHBondContact O-CA 3.22Å; M41-T98 WeakPolarHBondContact O-CB 3.33Å; M41-L99 HydrophobicContact CE-CB 4.19Å; M41-L99 HydrophobicContact CE-CD2 3.48Å; M41-L99 VanDerWaalsContact CE-CD2 3.48Å; M41-L99 HydrophobicContact CE-CG 3.8Å; M41-L99 PolarHBondContact N-O 3.27Å; M41-L99 PolarHBondContact O-N 2.83Å; M41-I101 HydrophobicContact CE-CD1 4.44Å; M41-Y112 HydrophobicContact CE-CD1 4.37Å; M41-Y112 HydrophobicContact CE-CD2 4.01Å; M41-Y112 HydrophobicContact CE-CG 3.81Å; M41-Y112 HydrophobicContact SD-CD2 4.3Å; M41-Y112 HydrophobicContact SD-CG 4.3Å
42	S	98.3	Very high	95.1	Very high	28 Å²	28	61 Å²	61	20%	0.196	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	144.1	175.4	167.9	0	0	0	0	109.9	Q26 S27 F97	Q26-S42 VanDerWaalsContact CA-O 3.26Å; Q26-S42 WeakPolarHBondContact CA-O 3.32Å; S27-S42 PolarHBondContact N-O 3.25Å; S27-S42 PolarHBondContact O-N 3.03Å; S42-F97 CarbonylContact C-O 3.49Å; S42-F97 WeakPolarHBondContact CA-O 3.03Å
43	C	98	Very high	94.9	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	123.5	169	172.3	0	0	0	0	108.7	M24 T25 Q26 W61 F97 C114	M24-C43 WeakPolarHBondContact CE-SG 3.12Å; T25-C43 CarbonylContact O-C 3.55Å; T25-C43 WeakPolarHBondContact O-CA 3.48Å; Q26-C43 HydrophobicContact CG-CB 4.29Å; C43-W61 HydrophobicContact CB-CH2 3.48Å; C43-W61 VanDerWaalsContact CB-CH2 3.48Å; C43-W61 HydrophobicContact CB-CZ2 3.5Å; C43-W61 VanDerWaalsContact CB-CZ2 3.5Å; C43-W61 HydrophobicContact CB-CZ3 4.45Å; C43-F97 HydrophobicContact CB-CB 4.24Å; C43-F97 PolarHBondContact N-O 2.9Å; C43-F97 PolarHBondContact O-N 2.94Å; C43-C114 HydrophobicContact CB-CB 3.61Å; C43-C114 WeakPolarHBondContact CB-SG 3.47Å; C43-C114 WeakPolarHBondContact SG-CB 3.33Å; C43-C114 CovalentContact SG-SG 2.01Å; C43-C114 PolarHBondContact SG-SG 2.8Å
44	K	97.8	Very high	94.9	Very high	105 Å²	105	61.8 Å²	61.8	46%	0.457	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.1	177.7	-63.6	-166.6	178.6	-123.8	0	110.4	M24 T25 T95 D96	M24-K44 CarbonylContact C-O 3.53Å; M24-K44 WeakPolarHBondContact CA-O 3.34Å; T25-K44 PolarHBondContact N-O 3.43Å; T25-K44 PolarHBondContact O-N 3.27Å; K44-T95 CarbonylContact C-O 3.59Å; K44-T95 VanDerWaalsContact CA-O 3.25Å; K44-T95 WeakPolarHBondContact CA-O 3.25Å; K44-D96 WeakPolarHBondContact CE-OD1 3.36Å; K44-D96 IonicContact NZ-OD1 2.79Å; K44-D96 PolarHBondContact NZ-OD1 2.85Å
45	S	95.3	Very high	94.7	Very high	10 Å²	10	63.4 Å²	63.4	7%	0.07	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	144	171.3	-168.3	0	0	0	0	110.3	I22 M24 Q47 T95	I22-S45 WeakPolarHBondContact CG2-OG 3.34Å; M24-S45 PolarHBondContact SD-OG 2.89Å; M24-S45 VanDerWaalsContact SD-OG 3.37Å; S45-Q47 VanDerWaalsContact CB-O 3.27Å; S45-Q47 WeakPolarHBondContact CB-O 3.34Å; S45-Q47 PolarHBondContact O-N 3.11Å; S45-Q47 PolarHBondContact OG-O 2.81Å; S45-Q47 VanDerWaalsContact OG-O 3.06Å; S45-T95 PolarHBondContact N-O 2.86Å
46	S	94.1	Very high	94.5	Very high	69 Å²	69	66.1 Å²	66.1	48%	0.483	36%	0.356	S	S	.	.	S	Bend	trans	-68	-19.5	173.1	54.7	0	0	0	0	113.7	V23	V23-S46 PolarHBondContact N-OG 2.89Å; V23-S46 PolarHBondContact O-N 2.96Å; V23-S46 PolarHBondContact O-OG 3.27Å
47	Q	92.2	Very high	94.4	Very high	84 Å²	84	65 Å²	65	39%	0.393	34%	0.339	S	S	.	.	S	Bend	trans	-132.5	158.1	179.4	-61	-175.8	51.8	0	0	109.9	G20 I22 S45 L49	G20-Q47 PolarHBondContact O-NE2 2.85Å; I22-Q47 HydrophobicContact CG1-CB 4.33Å; I22-Q47 HydrophobicContact CG1-CG 4.42Å; S45-Q47 VanDerWaalsContact CB-O 3.27Å; S45-Q47 WeakPolarHBondContact CB-O 3.34Å; S45-Q47 PolarHBondContact O-N 3.11Å; S45-Q47 PolarHBondContact OG-O 2.81Å; S45-Q47 VanDerWaalsContact OG-O 3.06Å; Q47-L49 PolarHBondContact O-N 2.88Å
48	S	93.2	Very high	94.2	Very high	63 Å²	63	63.5 Å²	63.5	44%	0.441	33%	0.33	S	S	.	.			trans	-65.6	123.9	176.2	177.6	0	0	0	0	110.6	L50	S48-L50 VanDerWaalsContact C-N 3.29Å; S48-L50 PolarHBondContact OG-N 2.67Å
49	L	93.6	Very high	94.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.299	C	S	.	.			trans	-89.1	2.8	170.3	-53.5	-174.3	0	0	0	112.6	I22 M24 Q47 N57 Y58 L59 G94 F97 H116 F121	I22-L49 HydrophobicContact CD1-CD2 4.11Å; I22-L49 HydrophobicContact CG2-CD2 4.13Å; M24-L49 HydrophobicContact CE-CD1 4.09Å; M24-L49 HydrophobicContact SD-CD1 4.36Å; Q47-L49 PolarHBondContact O-N 2.88Å; L49-N57 CarbonylContact O-C 3.54Å; L49-N57 WeakPolarHBondContact O-CA 3.12Å; L49-Y58 PolarHBondContact O-N 3.33Å; L49-L59 HydrophobicContact CD1-CB 4.17Å; L49-L59 HydrophobicContact CD1-CD1 3.64Å; L49-G94 PolarHBondContact N-O 2.67Å; L49-F97 HydrophobicContact CB-CE2 4.27Å; L49-F97 HydrophobicContact CB-CZ 4.04Å; L49-F97 HydrophobicContact CD1-CE2 3.83Å; L49-F97 HydrophobicContact CD1-CZ 4.27Å; L49-F97 HydrophobicContact CG-CE2 4.2Å; L49-F97 HydrophobicContact CG-CZ 4.47Å; L49-H116 HydrophobicContact CD1-CB 3.73Å; L49-H116 HydrophobicContact CD2-CB 3.62Å; L49-H116 HydrophobicContact CG-CB 4.34Å; L49-F121 HydrophobicContact CD2-CE1 3.95Å; L49-F121 HydrophobicContact CD2-CZ 3.87Å
50	L	94	Very high	94.2	Very high	50 Å²	50	56 Å²	56	26%	0.262	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	116.7	174.1	179	65.7	0	0	0	109.4	S48 Q55	S48-L50 VanDerWaalsContact C-N 3.29Å; S48-L50 PolarHBondContact OG-N 2.67Å; L50-Q55 VanDerWaalsContact CD1-C 3.49Å
51	W	90.5	Very high	94.2	Very high	75 Å²	75	52.9 Å²	52.9	28%	0.284	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	122.4	175.4	-170.5	-128.6	0	0	0	111.1	V53 Q55 K56 Y58 L122	W51-V53 VanDerWaalsContact C-N 3.3Å; W51-V53 HydrophobicContact CZ2-CG2 3.83Å; W51-V53 PolarHBondContact O-N 3.12Å; W51-Q55 VanDerWaalsContact O-CA 3.23Å; W51-Q55 WeakPolarHBondContact O-CA 3.25Å; W51-Q55 PolarHBondContact O-N 3.01Å; W51-K56 PolarHBondContact N-O 3.13Å; W51-Y58 HydrophobicContact CB-CD2 3.94Å; W51-Y58 HydrophobicContact CB-CE2 3.35Å; W51-Y58 HydrophobicContact CG-CE2 4.11Å; W51-L122 VanDerWaalsContact CH2-O 3.28Å; W51-L122 WeakPolarHBondContact CH2-O 3.28Å
52	S	88.5	Confident	94.2	Very high	76 Å²	76	53.9 Å²	53.9	53%	0.531	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-35.7	-172.8	57.4	0	0	0	0	113.1	Q55	S52-Q55 PolarHBondContact O-NE2 2.81Å
53	V	90.5	Very high	94.1	Very high	114 Å²	114	53.2 Å²	53.2	69%	0.691	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-40.3	-173	-177.4	0	0	0	0	112.3	W51	W51-V53 VanDerWaalsContact C-N 3.3Å; W51-V53 HydrophobicContact CZ2-CG2 3.83Å; W51-V53 PolarHBondContact O-N 3.12Å
54	N	91.2	Very high	94.1	Very high	64 Å²	64	56.6 Å²	56.6	34%	0.342	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	1.2	-176.7	65.8	15.1	0	0	0	113.7	K56 Y58	N54-K56 HydrophobicContact CB-CD 4.45Å; N54-K56 HydrophobicContact CB-CG 4.24Å; N54-K56 WeakPolarHBondContact O-CG 3.49Å; N54-K56 PolarHBondContact O-N 2.8Å; N54-K56 VanDerWaalsContact OD1-CB 3.25Å; N54-K56 WeakPolarHBondContact OD1-CB 3.35Å; N54-K56 WeakPolarHBondContact OD1-CG 3.37Å; N54-K56 PolarHBondContact OD1-N 2.88Å; N54-Y58 PolarHBondContact ND2-OH 2.83Å
55	Q	91.3	Very high	94	Very high	129 Å²	129	54.5 Å²	54.5	60%	0.603	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	34.1	-177.4	-60.9	-67.3	-55.3	0	0	112.9	L50 W51 S52	L50-Q55 VanDerWaalsContact CD1-C 3.49Å; W51-Q55 VanDerWaalsContact O-CA 3.23Å; W51-Q55 WeakPolarHBondContact O-CA 3.25Å; W51-Q55 PolarHBondContact O-N 3.01Å; S52-Q55 PolarHBondContact O-NE2 2.81Å
56	K	92.5	Very high	94	Very high	131 Å²	131	61.7 Å²	61.7	57%	0.57	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	142.5	178.4	-61.6	-175	179.2	-178.8	0	111.5	W51 N54 Y58	W51-K56 PolarHBondContact N-O 3.13Å; N54-K56 HydrophobicContact CB-CD 4.45Å; N54-K56 HydrophobicContact CB-CG 4.24Å; N54-K56 WeakPolarHBondContact O-CG 3.49Å; N54-K56 PolarHBondContact O-N 2.8Å; N54-K56 VanDerWaalsContact OD1-CB 3.25Å; N54-K56 WeakPolarHBondContact OD1-CB 3.35Å; N54-K56 WeakPolarHBondContact OD1-CG 3.37Å; N54-K56 PolarHBondContact OD1-N 2.88Å; K56-Y58 HydrophobicContact CB-CE2 4.12Å; K56-Y58 WeakPolarHBondContact O-CD2 3.03Å; K56-Y58 WeakPolarHBondContact O-CE2 3.39Å
57	N	94	Very high	94	Very high	24 Å²	24	69.7 Å²	69.7	13%	0.128	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	131.5	172.3	-72.9	-68.7	0	0	0	110.7	L49 L59 G76 A77 S93 G94 F97	L49-N57 CarbonylContact O-C 3.54Å; L49-N57 WeakPolarHBondContact O-CA 3.12Å; N57-L59 VanDerWaalsContact C-N 3.33Å; N57-L59 PolarHBondContact O-N 2.79Å; N57-G76 VanDerWaalsContact O-CA 3.28Å; N57-G76 WeakPolarHBondContact O-CA 3.3Å; N57-A77 HydrophobicContact CB-CB 3.76Å; N57-S93 PolarHBondContact ND2-OG 2.84Å; N57-S93 WeakPolarHBondContact OD1-CA 3.26Å; N57-S93 PolarHBondContact OD1-OG 2.9Å; N57-G94 PolarHBondContact OD1-N 2.99Å; N57-F97 HydrophobicContact CB-CE1 3.97Å; N57-F97 HydrophobicContact CB-CZ 4.36Å
58	Y	93.5	Very high	94.1	Very high	62 Å²	62	69.7 Å²	69.7	24%	0.243	33%	0.333	C	S	.	.			trans	-98.6	52.7	-179.4	-72.7	-102.3	0	0	0	111.1	L49 W51 N54 K56 H116 N117	L49-Y58 PolarHBondContact O-N 3.33Å; W51-Y58 HydrophobicContact CB-CD2 3.94Å; W51-Y58 HydrophobicContact CB-CE2 3.35Å; W51-Y58 HydrophobicContact CG-CE2 4.11Å; N54-Y58 PolarHBondContact ND2-OH 2.83Å; K56-Y58 HydrophobicContact CB-CE2 4.12Å; K56-Y58 WeakPolarHBondContact O-CD2 3.03Å; K56-Y58 WeakPolarHBondContact O-CE2 3.39Å; Y58-H116 CarbonylContact O-C 3.56Å; Y58-H116 VanDerWaalsContact O-CA 3.26Å; Y58-H116 WeakPolarHBondContact O-CA 3.36Å; Y58-N117 HydrophobicContact CD1-CB 4.24Å; Y58-N117 PolarHBondContact O-N 2.88Å
59	L	96.2	Very high	94.3	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.8	175	-170.3	96.3	0	0	0	110.7	M24 L49 N57 Y75 G76 A77 F97 C114	M24-L59 HydrophobicContact CE-CD1 3.62Å; L49-L59 HydrophobicContact CD1-CB 4.17Å; L49-L59 HydrophobicContact CD1-CD1 3.64Å; N57-L59 VanDerWaalsContact C-N 3.33Å; N57-L59 PolarHBondContact O-N 2.79Å; L59-Y75 CarbonylContact O-C 3.54Å; L59-G76 PolarHBondContact O-N 2.71Å; L59-A77 HydrophobicContact CB-CB 4.28Å; L59-A77 HydrophobicContact CD2-CB 4.42Å; L59-A77 PolarHBondContact O-N 3.18Å; L59-F97 HydrophobicContact CB-CD1 4.28Å; L59-F97 HydrophobicContact CB-CE1 4.14Å; L59-F97 HydrophobicContact CB-CE2 4.44Å; L59-F97 HydrophobicContact CB-CG 4.47Å; L59-F97 HydrophobicContact CB-CZ 4.23Å; L59-F97 HydrophobicContact CD1-CD2 3.72Å; L59-F97 HydrophobicContact CD1-CE2 4.03Å; L59-F97 HydrophobicContact CD1-CG 4.07Å; L59-F97 HydrophobicContact CD2-CB 3.53Å; L59-F97 HydrophobicContact CD2-CD1 3.7Å; L59-F97 HydrophobicContact CD2-CD2 4.04Å; L59-F97 HydrophobicContact CD2-CE1 4.4Å; L59-F97 HydrophobicContact CD2-CG 3.48Å; L59-F97 VanDerWaalsContact CD2-CG 3.48Å; L59-F97 HydrophobicContact CG-CD1 4.42Å; L59-F97 HydrophobicContact CG-CD2 4.3Å; L59-F97 HydrophobicContact CG-CG 4.19Å; L59-C114 HydrophobicContact CD1-CB 4.1Å; L59-C114 HydrophobicContact CG-CB 4.49Å
60	S	97.1	Very high	94.4	Very high	3 Å²	3	73.8 Å²	73.8	2%	0.021	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.5	170.1	-61.7	0	0	0	0	110.7	I74 C114 Q115 N117	S60-I74 CarbonylContact C-O 3.53Å; S60-I74 WeakPolarHBondContact CA-O 3.47Å; S60-C114 CarbonylContact O-C 3.57Å; S60-C114 VanDerWaalsContact O-CA 3.28Å; S60-C114 WeakPolarHBondContact O-CA 3.39Å; S60-Q115 PolarHBondContact N-O 2.97Å; S60-Q115 PolarHBondContact O-N 3.39Å; S60-N117 PolarHBondContact OG-ND2 3.11Å; S60-N117 PolarHBondContact OG-OD1 2.94Å
61	W	98.2	Very high	94.6	Very high	0 Å²	0	76 Å²	76	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	139.5	168.8	-72.6	98.4	0	0	0	109.9	M41 C43 L73 I74 L99 Y113 C114	M41-W61 HydrophobicContact CB-CH2 4.38Å; C43-W61 HydrophobicContact CB-CH2 3.48Å; C43-W61 VanDerWaalsContact CB-CH2 3.48Å; C43-W61 HydrophobicContact CB-CZ2 3.5Å; C43-W61 VanDerWaalsContact CB-CZ2 3.5Å; C43-W61 HydrophobicContact CB-CZ3 4.45Å; W61-L73 HydrophobicContact CB-CB 4.41Å; W61-L73 WeakPolarHBondContact O-CB 3.38Å; W61-L73 PolarHBondContact O-N 2.96Å; W61-I74 HydrophobicContact CB-CB 4.15Å; W61-I74 PolarHBondContact N-O 2.84Å; W61-I74 PolarHBondContact O-N 2.81Å; W61-L99 HydrophobicContact CB-CD2 4.37Å; W61-L99 HydrophobicContact CD2-CB 3.67Å; W61-L99 HydrophobicContact CD2-CD2 3.9Å; W61-L99 HydrophobicContact CD2-CG 4.31Å; W61-L99 HydrophobicContact CE3-CB 3.89Å; W61-L99 HydrophobicContact CE3-CD2 3.66Å; W61-L99 HydrophobicContact CE3-CG 4.41Å; W61-L99 HydrophobicContact CG-CB 4.27Å; W61-L99 HydrophobicContact CG-CD2 4.22Å; W61-L99 HydrophobicContact CH2-CB 3.83Å; W61-L99 HydrophobicContact CZ2-CB 3.63Å; W61-L99 HydrophobicContact CZ3-CB 3.96Å; W61-L99 HydrophobicContact CZ3-CD2 4.19Å; W61-Y113 WeakPolarHBondContact CA-O 3.37Å; W61-C114 HydrophobicContact CD2-CB 3.97Å; W61-C114 HydrophobicContact CE3-CB 3.81Å; W61-C114 HydrophobicContact CH2-CB 3.99Å; W61-C114 HydrophobicContact CZ2-CB 4.11Å; W61-C114 HydrophobicContact CZ3-CB 3.83Å
62	Y	97.7	Very high	94.9	Very high	45 Å²	45	74.8 Å²	74.8	18%	0.176	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.6	178.5	-66.2	-92.2	0	0	0	110.8	P70 K71 L72 Y112 Y113 Q115	Y62-P70 HydrophobicContact CD1-CB 4.49Å; Y62-K71 CarbonylContact C-O 3.5Å; Y62-K71 VanDerWaalsContact CA-O 3.26Å; Y62-K71 WeakPolarHBondContact CA-O 3.21Å; Y62-L72 HydrophobicContact CD1-CB 4.36Å; Y62-L72 HydrophobicContact CD1-CD1 4.47Å; Y62-L72 HydrophobicContact CE1-CB 4.03Å; Y62-L72 HydrophobicContact CE1-CD1 3.95Å; Y62-L72 HydrophobicContact CE2-CD1 4.44Å; Y62-Y112 WeakPolarHBondContact O-CA 3.41Å; Y62-Y113 VanDerWaalsContact CB-CZ 3.46Å; Y62-Y113 HydrophobicContact CD2-CD2 4.19Å; Y62-Y113 AromaticContact CD2-CE2 3.65Å; Y62-Y113 HydrophobicContact CD2-CE2 3.65Å; Y62-Y113 HydrophobicContact CE2-CE2 4.5Å; Y62-Y113 AromaticContact CG-CE2 3.83Å; Y62-Y113 HydrophobicContact CG-CE2 3.83Å; Y62-Y113 AromaticContact CG-CZ 3.83Å; Y62-Y113 PolarHBondContact N-O 3.28Å; Y62-Y113 PolarHBondContact O-N 2.9Å; Y62-Y113 VanDerWaalsContact O-N 3.16Å; Y62-Q115 HydrophobicContact CD2-CB 4.37Å; Y62-Q115 HydrophobicContact CE2-CB 3.99Å
63	Q	97.6	Very high	95.4	Very high	13 Å²	13	71.2 Å²	71.2	6%	0.061	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.7	170.4	-177.5	-171.6	68.8	0	0	109	K71 L73 A110 Y112	Q63-K71 PolarHBondContact N-O 3.16Å; Q63-K71 PolarHBondContact O-N 2.88Å; Q63-L73 HydrophobicContact CB-CD1 4.42Å; Q63-A110 HydrophobicContact CG-CB 3.48Å; Q63-A110 VanDerWaalsContact CG-CB 3.48Å; Q63-Y112 HydrophobicContact CB-CD1 4.12Å; Q63-Y112 HydrophobicContact CB-CE1 3.88Å; Q63-Y112 HydrophobicContact CG-CD1 4.23Å; Q63-Y112 HydrophobicContact CG-CE1 3.65Å; Q63-Y112 PolarHBondContact NE2-OH 2.75Å
64	Q	97.5	Very high	95.7	Very high	72 Å²	72	65.8 Å²	65.8	34%	0.336	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	109.1	174.5	-171.1	177.1	19	0	0	110.8	Q68 P70 A110 V111	Q64-Q68 WeakPolarHBondContact CG-O 3.42Å; Q64-Q68 PolarHBondContact NE2-O 2.85Å; Q64-P70 HydrophobicContact CB-CB 4.35Å; Q64-P70 HydrophobicContact CB-CG 4.34Å; Q64-P70 HydrophobicContact CG-CG 4.14Å; Q64-A110 WeakPolarHBondContact O-CB 3.26Å; Q64-V111 HydrophobicContact CB-CB 4.45Å; Q64-V111 PolarHBondContact N-O 2.87Å; Q64-V111 PolarHBondContact O-N 2.81Å
65	K	95.9	Very high	96	Very high	60 Å²	60	67.2 Å²	67.2	26%	0.261	31%	0.308	S	S	.	.			trans	-79.2	158	172.5	-66.2	-176	177.2	-167.5	0	110.3	R67 Q68 E107 A110	K65-R67 PolarHBondContact O-N 3.09Å; K65-Q68 HydrophobicContact CB-CB 4.18Å; K65-Q68 HydrophobicContact CB-CG 4.26Å; K65-Q68 PolarHBondContact O-N 2.99Å; K65-E107 WeakPolarHBondContact CE-O 3.47Å; K65-E107 PolarHBondContact NZ-O 3.23Å; K65-A110 HydrophobicContact CG-CB 4.05Å
66	Q	94.2	Very high	96.2	Very high	162 Å²	162	62.1 Å²	62.1	76%	0.757	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	127.9	179.8	-167.7	-174.4	24.6	0	0	110.8	Q68	Q66-Q68 PolarHBondContact O-N 3.08Å; Q66-Q68 VanDerWaalsContact O-N 3.09Å
67	R	93.8	Very high	96.4	Very high	236 Å²	236	55.9 Å²	55.9	89%	0.891	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	15.4	-179.7	-62.1	168.5	-176.2	166.4	0.8	115.2	K65	K65-R67 PolarHBondContact O-N 3.09Å
68	Q	95.9	Very high	96.5	Very high	84 Å²	84	58.1 Å²	58.1	39%	0.393	28%	0.28	S	S	.	.	S	Bend	trans	-107.4	153	173.8	-66.8	-176	43.1	0	0	110.2	Q64 K65 Q66	Q64-Q68 WeakPolarHBondContact CG-O 3.42Å; Q64-Q68 PolarHBondContact NE2-O 2.85Å; K65-Q68 HydrophobicContact CB-CB 4.18Å; K65-Q68 HydrophobicContact CB-CG 4.26Å; K65-Q68 PolarHBondContact O-N 2.99Å; Q66-Q68 PolarHBondContact O-N 3.08Å; Q66-Q68 VanDerWaalsContact O-N 3.09Å
69	P	96.5	Very high	96.7	Very high	94 Å²	94	59 Å²	59	61%	0.61	29%	0.288	S	S	*	.			trans	-64.9	151.8	169.3	28.8	-34.7	0	0	0	110.2
70	P	96.7	Very high	96.8	Very high	55 Å²	55	63.5 Å²	63.5	36%	0.357	31%	0.305	S	S	.	.			trans	-58.8	143.8	170.9	-20.3	31.3	0	0	0	111.9	Y62 Q64 Y113	Y62-P70 HydrophobicContact CD1-CB 4.49Å; Q64-P70 HydrophobicContact CB-CB 4.35Å; Q64-P70 HydrophobicContact CB-CG 4.34Å; Q64-P70 HydrophobicContact CG-CG 4.14Å; P70-Y113 HydrophobicContact CB-CE1 4.06Å; P70-Y113 WeakPolarHBondContact CB-OH 3.43Å; P70-Y113 HydrophobicContact CG-CE1 4.25Å; P70-Y113 VanDerWaalsContact CG-OH 3.25Å; P70-Y113 WeakPolarHBondContact CG-OH 3.31Å
71	K	97.3	Very high	96.8	Very high	98 Å²	98	65.9 Å²	65.9	43%	0.426	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140	175.5	-62.7	-175.8	177.6	-179.5	0	110.3	Y62 Q63 L73 W83	Y62-K71 CarbonylContact C-O 3.5Å; Y62-K71 VanDerWaalsContact CA-O 3.26Å; Y62-K71 WeakPolarHBondContact CA-O 3.21Å; Q63-K71 PolarHBondContact N-O 3.16Å; Q63-K71 PolarHBondContact O-N 2.88Å; K71-L73 PolarHBondContact O-N 3.1Å; K71-W83 HydrophobicContact CB-CH2 3.87Å; K71-W83 HydrophobicContact CB-CZ2 3.68Å; K71-W83 HydrophobicContact CD-CH2 4.21Å; K71-W83 HydrophobicContact CD-CZ2 4.26Å
72	L	97.4	Very high	96.8	Very high	48 Å²	48	71.7 Å²	71.7	25%	0.251	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	120.7	176	179.9	62.4	0	0	0	109.9	Y62 Y75 E81 W83	Y62-L72 HydrophobicContact CD1-CB 4.36Å; Y62-L72 HydrophobicContact CD1-CD1 4.47Å; Y62-L72 HydrophobicContact CE1-CB 4.03Å; Y62-L72 HydrophobicContact CE1-CD1 3.95Å; Y62-L72 HydrophobicContact CE2-CD1 4.44Å; L72-Y75 HydrophobicContact CD2-CD1 4.39Å; L72-E81 HydrophobicContact CB-CG 4.29Å; L72-E81 HydrophobicContact CD2-CG 4.14Å; L72-E81 VanDerWaalsContact CD2-OE1 3.3Å; L72-E81 WeakPolarHBondContact CD2-OE1 3.49Å; L72-E81 HydrophobicContact CG-CG 3.95Å; L72-E81 VanDerWaalsContact O-CG 3.3Å; L72-E81 WeakPolarHBondContact O-CG 3.27Å; L72-W83 WeakPolarHBondContact O-CZ2 3.44Å
73	L	97.9	Very high	96.7	Very high	1 Å²	1	75.2 Å²	75.2	1%	0.005	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-52.1	-178.8	-173.6	79.3	0	0	0	110.8	W61 Q63 K71 E81 W83 V84 F88 L99 Y112	W61-L73 HydrophobicContact CB-CB 4.41Å; W61-L73 WeakPolarHBondContact O-CB 3.38Å; W61-L73 PolarHBondContact O-N 2.96Å; Q63-L73 HydrophobicContact CB-CD1 4.42Å; K71-L73 PolarHBondContact O-N 3.1Å; L73-E81 PolarHBondContact O-N 2.75Å; L73-E81 VanDerWaalsContact O-N 3.13Å; L73-W83 HydrophobicContact CD1-CH2 4.36Å; L73-V84 HydrophobicContact CD1-CB 4.27Å; L73-V84 HydrophobicContact CD1-CG1 3.53Å; L73-V84 HydrophobicContact CD1-CG2 3.7Å; L73-V84 HydrophobicContact CG-CG1 4.04Å; L73-V84 HydrophobicContact CG-CG2 4.34Å; L73-V84 WeakPolarHBondContact O-CG2 3.26Å; L73-F88 HydrophobicContact CD1-CD1 4.12Å; L73-F88 HydrophobicContact CD1-CE1 4.31Å; L73-F88 HydrophobicContact CD1-CG 4.24Å; L73-F88 HydrophobicContact CD2-CD1 3.69Å; L73-F88 HydrophobicContact CD2-CE1 4.16Å; L73-F88 HydrophobicContact CD2-CG 4.34Å; L73-F88 HydrophobicContact CG-CD1 4.37Å; L73-L99 HydrophobicContact CD2-CD1 3.85Å; L73-L99 HydrophobicContact CD2-CD2 3.75Å; L73-L99 HydrophobicContact CD2-CG 4.48Å; L73-Y112 HydrophobicContact CD2-CD1 4.21Å; L73-Y112 HydrophobicContact CD2-CE1 4.16Å
74	I	98.3	Very high	96.7	Very high	0 Å²	0	75.1 Å²	75.1	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	137.1	-178	-56.6	-171	0	0	0	108	S60 W61 I79 R80 L99	S60-I74 CarbonylContact C-O 3.53Å; S60-I74 WeakPolarHBondContact CA-O 3.47Å; W61-I74 HydrophobicContact CB-CB 4.15Å; W61-I74 PolarHBondContact N-O 2.84Å; W61-I74 PolarHBondContact O-N 2.81Å; I74-I79 CarbonylContact C-O 3.58Å; I74-I79 WeakPolarHBondContact CA-O 3.34Å; I74-I79 VanDerWaalsContact CG2-O 3.31Å; I74-I79 WeakPolarHBondContact CG2-O 3.37Å; I74-R80 HydrophobicContact CD1-CG 4.14Å; I74-R80 HydrophobicContact CG1-CG 4.11Å; I74-L99 HydrophobicContact CD1-CD1 3.68Å
75	Y	96.6	Very high	96.7	Very high	94 Å²	94	73.9 Å²	73.9	37%	0.369	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	165.6	171.6	66.7	-87.8	0	0	0	110.3	L59 L72 A77 S78 I79 E81	L59-Y75 CarbonylContact O-C 3.54Å; L72-Y75 HydrophobicContact CD2-CD1 4.39Å; Y75-A77 PolarHBondContact O-N 3.02Å; Y75-S78 PolarHBondContact O-N 2.76Å; Y75-I79 HydrophobicContact CD1-CB 4.28Å; Y75-I79 HydrophobicContact CD1-CG2 4.39Å; Y75-I79 WeakPolarHBondContact CD1-O 3.35Å; Y75-I79 HydrophobicContact CD2-CB 4.09Å; Y75-I79 HydrophobicContact CD2-CD1 4.12Å; Y75-I79 HydrophobicContact CE1-CB 3.98Å; Y75-I79 HydrophobicContact CE1-CG2 3.62Å; Y75-I79 HydrophobicContact CE2-CB 3.78Å; Y75-I79 HydrophobicContact CE2-CD1 3.59Å; Y75-I79 HydrophobicContact CE2-CG1 4.27Å; Y75-I79 HydrophobicContact CE2-CG2 3.81Å; Y75-I79 HydrophobicContact CG-CB 4.34Å; Y75-I79 PolarHBondContact N-O 3.03Å; Y75-I79 WeakPolarHBondContact O-CA 3.05Å; Y75-I79 WeakPolarHBondContact O-CB 3.17Å; Y75-I79 PolarHBondContact O-N 3.33Å; Y75-I79 VanDerWaalsContact OH-CG2 3.28Å; Y75-I79 WeakPolarHBondContact OH-CG2 3.46Å; Y75-E81 WeakPolarHBondContact CD1-OE1 3.13Å
76	G	95.2	Very high	96.8	Very high	22 Å²	22	76.8 Å²	76.8	23%	0.227	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	24.8	-179.6	0	0	0	0	0	113.2	N57 L59 S78	N57-G76 VanDerWaalsContact O-CA 3.28Å; N57-G76 WeakPolarHBondContact O-CA 3.3Å; L59-G76 PolarHBondContact O-N 2.71Å; G76-S78 PolarHBondContact O-N 2.85Å
77	A	96.4	Very high	97	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.008	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	-25.9	-169	0	0	0	0	0	117.5	N57 L59 Y75 G90 S91 F97	N57-A77 HydrophobicContact CB-CB 3.76Å; L59-A77 HydrophobicContact CB-CB 4.28Å; L59-A77 HydrophobicContact CD2-CB 4.42Å; L59-A77 PolarHBondContact O-N 3.18Å; Y75-A77 PolarHBondContact O-N 3.02Å; A77-G90 CarbonylContact O-C 3.46Å; A77-G90 WeakPolarHBondContact O-CA 3.3Å; A77-S91 PolarHBondContact O-N 3.37Å; A77-F97 HydrophobicContact CB-CD1 3.62Å; A77-F97 HydrophobicContact CB-CE1 3.61Å
78	S	97.3	Very high	97.2	Very high	71 Å²	71	59.7 Å²	59.7	50%	0.497	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137	-9	-172.8	61	0	0	0	0	116	Y75 G76 G90	Y75-S78 PolarHBondContact O-N 2.76Å; G76-S78 PolarHBondContact O-N 2.85Å; S78-G90 WeakPolarHBondContact CA-O 3.28Å; S78-G90 WeakPolarHBondContact CB-O 3.4Å
79	I	97.4	Very high	97.3	Very high	80 Å²	80	58.9 Å²	58.9	41%	0.41	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	120	-175	-49.7	170.3	0	0	0	109.8	I74 Y75	I74-I79 CarbonylContact C-O 3.58Å; I74-I79 WeakPolarHBondContact CA-O 3.34Å; I74-I79 VanDerWaalsContact CG2-O 3.31Å; I74-I79 WeakPolarHBondContact CG2-O 3.37Å; Y75-I79 HydrophobicContact CD1-CB 4.28Å; Y75-I79 HydrophobicContact CD1-CG2 4.39Å; Y75-I79 WeakPolarHBondContact CD1-O 3.35Å; Y75-I79 HydrophobicContact CD2-CB 4.09Å; Y75-I79 HydrophobicContact CD2-CD1 4.12Å; Y75-I79 HydrophobicContact CE1-CB 3.98Å; Y75-I79 HydrophobicContact CE1-CG2 3.62Å; Y75-I79 HydrophobicContact CE2-CB 3.78Å; Y75-I79 HydrophobicContact CE2-CD1 3.59Å; Y75-I79 HydrophobicContact CE2-CG1 4.27Å; Y75-I79 HydrophobicContact CE2-CG2 3.81Å; Y75-I79 HydrophobicContact CG-CB 4.34Å; Y75-I79 PolarHBondContact N-O 3.03Å; Y75-I79 WeakPolarHBondContact O-CA 3.05Å; Y75-I79 WeakPolarHBondContact O-CB 3.17Å; Y75-I79 PolarHBondContact O-N 3.33Å; Y75-I79 VanDerWaalsContact OH-CG2 3.28Å; Y75-I79 WeakPolarHBondContact OH-CG2 3.46Å
80	R	97.9	Very high	97.4	Very high	94 Å²	94	54.6 Å²	54.6	36%	0.355	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	144.4	-178.6	-62.1	169.5	-56.7	-167.6	7.6	110.9	I74 V84 D86 F88	I74-R80 HydrophobicContact CD1-CG 4.14Å; I74-R80 HydrophobicContact CG1-CG 4.11Å; R80-V84 HydrophobicContact CB-CB 4.31Å; R80-V84 HydrophobicContact CB-CG1 4.4Å; R80-D86 IonicContact CZ-OD1 3.83Å; R80-D86 PolarHBondContact NH1-O 3.01Å; R80-D86 IonicContact NH1-OD1 2.8Å; R80-D86 PolarHBondContact NH1-OD1 2.95Å; R80-D86 IonicContact NH2-OD1 3.89Å; R80-D86 PolarHBondContact NH2-OD1 2.84Å; R80-F88 WeakPolarHBondContact CD-O 3.44Å; R80-F88 PolarHBondContact NH1-O 2.89Å
81	E	97.8	Very high	97.5	Very high	54 Å²	54	54.6 Å²	54.6	25%	0.252	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-64.9	152.8	166.4	-79.2	-60.5	149.8	0	0	111.5	L72 L73 Y75 W83 V84	L72-E81 HydrophobicContact CB-CG 4.29Å; L72-E81 HydrophobicContact CD2-CG 4.14Å; L72-E81 VanDerWaalsContact CD2-OE1 3.3Å; L72-E81 WeakPolarHBondContact CD2-OE1 3.49Å; L72-E81 HydrophobicContact CG-CG 3.95Å; L72-E81 VanDerWaalsContact O-CG 3.3Å; L72-E81 WeakPolarHBondContact O-CG 3.27Å; L73-E81 PolarHBondContact O-N 2.75Å; L73-E81 VanDerWaalsContact O-N 3.13Å; Y75-E81 WeakPolarHBondContact CD1-OE1 3.13Å; E81-W83 PolarHBondContact O-N 2.82Å; E81-W83 VanDerWaalsContact O-N 3.11Å; E81-V84 HydrophobicContact CB-CG2 3.76Å; E81-V84 WeakPolarHBondContact O-CB 3.15Å; E81-V84 PolarHBondContact O-N 3.23Å
82	S	97.1	Very high	97.5	Very high	122 Å²	122	51.9 Å²	51.9	85%	0.853	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.3	-173.3	56.2	0	0	0	0	114.9
83	W	96.5	Very high	97.4	Very high	119 Å²	119	52.4 Å²	52.4	45%	0.451	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.2	179.5	61.2	-91	0	0	0	113.2	K71 L72 L73 E81	K71-W83 HydrophobicContact CB-CH2 3.87Å; K71-W83 HydrophobicContact CB-CZ2 3.68Å; K71-W83 HydrophobicContact CD-CH2 4.21Å; K71-W83 HydrophobicContact CD-CZ2 4.26Å; L72-W83 WeakPolarHBondContact O-CZ2 3.44Å; L73-W83 HydrophobicContact CD1-CH2 4.36Å; E81-W83 PolarHBondContact O-N 2.82Å; E81-W83 VanDerWaalsContact O-N 3.11Å
84	V	97.6	Very high	97.3	Very high	10 Å²	10	52.9 Å²	52.9	6%	0.061	30%	0.303	C	S	.	.	S	Bend	trans	-89.3	123.1	-173.2	175.7	0	0	0	0	110.2	L73 R80 E81 F88	L73-V84 HydrophobicContact CD1-CB 4.27Å; L73-V84 HydrophobicContact CD1-CG1 3.53Å; L73-V84 HydrophobicContact CD1-CG2 3.7Å; L73-V84 HydrophobicContact CG-CG1 4.04Å; L73-V84 HydrophobicContact CG-CG2 4.34Å; L73-V84 WeakPolarHBondContact O-CG2 3.26Å; R80-V84 HydrophobicContact CB-CB 4.31Å; R80-V84 HydrophobicContact CB-CG1 4.4Å; E81-V84 HydrophobicContact CB-CG2 3.76Å; E81-V84 WeakPolarHBondContact O-CB 3.15Å; E81-V84 PolarHBondContact O-N 3.23Å; V84-F88 HydrophobicContact CG1-CB 3.71Å; V84-F88 HydrophobicContact CG1-CD2 3.86Å; V84-F88 HydrophobicContact CG1-CG 3.94Å
85	P	97.8	Very high	97.2	Very high	47 Å²	47	55.5 Å²	55.5	31%	0.305	32%	0.319	S	S	.	.			trans	-60.4	151.9	-179.1	-27.8	37	0	0	0	114	R87 F88	P85-R87 HydrophobicContact CB-CG 3.83Å; P85-R87 PolarHBondContact O-N 3.49Å; P85-F88 HydrophobicContact CB-CD2 4.21Å; P85-F88 HydrophobicContact CB-CE2 4.44Å; P85-F88 HydrophobicContact CG-CD2 4.42Å; P85-F88 HydrophobicContact CG-CE2 4.3Å; P85-F88 PolarHBondContact O-N 2.99Å
86	D	97.5	Very high	97.3	Very high	120 Å²	120	54.3 Å²	54.3	64%	0.642	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.9	-177	-75.4	-36	0	0	0	114.7	R80 F88	R80-D86 IonicContact CZ-OD1 3.83Å; R80-D86 PolarHBondContact NH1-O 3.01Å; R80-D86 IonicContact NH1-OD1 2.8Å; R80-D86 PolarHBondContact NH1-OD1 2.95Å; R80-D86 IonicContact NH2-OD1 3.89Å; R80-D86 PolarHBondContact NH2-OD1 2.84Å; D86-F88 PolarHBondContact O-N 3.21Å
87	R	97.6	Very high	97.4	Very high	37 Å²	37	53.3 Å²	53.3	14%	0.14	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.4	175.2	57.3	166.8	-177	-82.8	6.7	113.5	P85 I101 S102 N103 E107 D108	P85-R87 HydrophobicContact CB-CG 3.83Å; P85-R87 PolarHBondContact O-N 3.49Å; R87-I101 CarbonylContact O-C 3.56Å; R87-I101 WeakPolarHBondContact O-CA 3.21Å; R87-S102 WeakPolarHBondContact CA-OG 3.25Å; R87-S102 WeakPolarHBondContact CB-OG 3.39Å; R87-S102 PolarHBondContact O-N 2.82Å; R87-S102 PolarHBondContact O-OG 2.79Å; R87-N103 WeakPolarHBondContact CD-O 2.98Å; R87-E107 IonicContact CZ-OE1 2.66Å; R87-E107 IonicContact NH1-OE1 3.55Å; R87-E107 IonicContact NH2-OE1 3.61Å; R87-E107 PolarHBondContact NH2-OE1 3.02Å; R87-D108 IonicContact CZ-OD1 3.09Å; R87-D108 IonicContact CZ-OD2 3.2Å; R87-D108 IonicContact NE-OD1 2.71Å; R87-D108 PolarHBondContact NE-OD1 3.24Å; R87-D108 IonicContact NE-OD2 3.38Å; R87-D108 PolarHBondContact NE-OD2 2.95Å; R87-D108 IonicContact NH2-OD1 3.52Å; R87-D108 PolarHBondContact NH2-OD1 2.77Å; R87-D108 IonicContact NH2-OD2 3.64Å
88	F	98.5	Very high	97.5	Very high	3 Å²	3	55 Å²	55	1%	0.013	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	135.5	172.4	-66.2	-89.9	0	0	0	109.1	L73 R80 V84 P85 D86 L99 T100 I101 D108 Y112	L73-F88 HydrophobicContact CD1-CD1 4.12Å; L73-F88 HydrophobicContact CD1-CE1 4.31Å; L73-F88 HydrophobicContact CD1-CG 4.24Å; L73-F88 HydrophobicContact CD2-CD1 3.69Å; L73-F88 HydrophobicContact CD2-CE1 4.16Å; L73-F88 HydrophobicContact CD2-CG 4.34Å; L73-F88 HydrophobicContact CG-CD1 4.37Å; R80-F88 WeakPolarHBondContact CD-O 3.44Å; R80-F88 PolarHBondContact NH1-O 2.89Å; V84-F88 HydrophobicContact CG1-CB 3.71Å; V84-F88 HydrophobicContact CG1-CD2 3.86Å; V84-F88 HydrophobicContact CG1-CG 3.94Å; P85-F88 HydrophobicContact CB-CD2 4.21Å; P85-F88 HydrophobicContact CB-CE2 4.44Å; P85-F88 HydrophobicContact CG-CD2 4.42Å; P85-F88 HydrophobicContact CG-CE2 4.3Å; P85-F88 PolarHBondContact O-N 2.99Å; D86-F88 PolarHBondContact O-N 3.21Å; F88-L99 HydrophobicContact CD1-CD1 4.44Å; F88-T100 CarbonylContact C-O 3.44Å; F88-T100 WeakPolarHBondContact CA-O 3.28Å; F88-I101 HydrophobicContact CD1-CD1 4.18Å; F88-I101 HydrophobicContact CD1-CG1 3.74Å; F88-I101 HydrophobicContact CE1-CD1 3.56Å; F88-I101 HydrophobicContact CE1-CG1 3.64Å; F88-I101 HydrophobicContact CE1-CG2 4.23Å; F88-I101 HydrophobicContact CZ-CD1 4.34Å; F88-I101 HydrophobicContact CZ-CG2 4.38Å; F88-D108 HydrophobicContact CZ-CB 4.36Å; F88-D108 WeakPolarHBondContact CZ-OD1 3.23Å; F88-Y112 AromaticContact CE1-CE1 3.86Å; F88-Y112 HydrophobicContact CE1-CE1 3.86Å
89	T	98.4	Very high	97.6	Very high	66 Å²	66	51.7 Å²	51.7	41%	0.405	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	130.4	176.5	-62.1	0	0	0	0	109.3	T100	T89-T100 PolarHBondContact N-O 2.01Å; T89-T100 PolarHBondContact O-N 3.31Å
90	G	98.3	Very high	97.6	Very high	4 Å²	4	49 Å²	49	4%	0.041	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	143.4	172.7	0	0	0	0	0	109.8	A77 S78 T98	A77-G90 CarbonylContact O-C 3.46Å; A77-G90 WeakPolarHBondContact O-CA 3.3Å; S78-G90 WeakPolarHBondContact CA-O 3.28Å; S78-G90 WeakPolarHBondContact CB-O 3.4Å; G90-T98 WeakPolarHBondContact CA-O 3.5Å
91	S	98	Very high	97.7	Very high	56 Å²	56	44.8 Å²	44.8	39%	0.392	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	170.3	175.2	80.6	0	0	0	0	111.8	A77 F97 T98	A77-S91 PolarHBondContact O-N 3.37Å; S91-F97 CarbonylContact O-C 3.09Å; S91-F97 VanDerWaalsContact O-CA 3.27Å; S91-F97 WeakPolarHBondContact O-CA 3.21Å; S91-T98 PolarHBondContact N-O 3.2Å; S91-T98 PolarHBondContact O-N 2.98Å; S91-T98 PolarHBondContact OG-OG1 3.22Å
92	G	97.3	Very high	97.7	Very high	40 Å²	40	45.2 Å²	45.2	41%	0.412	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	106.4	172	179.1	0	0	0	0	0	114	D96	G92-D96 CarbonylContact C-O 3.57Å; G92-D96 WeakPolarHBondContact CA-O 3.48Å
93	S	96.5	Very high	97.7	Very high	60 Å²	60	42.5 Å²	42.5	42%	0.42	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	153.9	-175	-167.4	0	0	0	0	110.9	N57 T95 D96	N57-S93 PolarHBondContact ND2-OG 2.84Å; N57-S93 WeakPolarHBondContact OD1-CA 3.26Å; N57-S93 PolarHBondContact OD1-OG 2.9Å; S93-T95 PolarHBondContact O-N 3.31Å; S93-D96 PolarHBondContact N-O 2.83Å; S93-D96 VanDerWaalsContact N-O 3.08Å; S93-D96 PolarHBondContact O-N 2.95Å
94	G	95.1	Very high	97.8	Very high	11 Å²	11	37.3 Å²	37.3	11%	0.113	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	-100.2	178.8	0	0	0	0	0	111	L49 N57 F97	L49-G94 PolarHBondContact N-O 2.67Å; N57-G94 PolarHBondContact OD1-N 2.99Å; G94-F97 VanDerWaalsContact O-CE2 3.22Å; G94-F97 WeakPolarHBondContact O-CE2 3.35Å; G94-F97 VanDerWaalsContact O-CZ 3.27Å; G94-F97 WeakPolarHBondContact O-CZ 3.27Å
95	T	96.7	Very high	97.7	Very high	55 Å²	55	39.9 Å²	39.9	34%	0.337	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-22.6	-174.6	48.9	0	0	0	0	114	K44 S45 S93	K44-T95 CarbonylContact C-O 3.59Å; K44-T95 VanDerWaalsContact CA-O 3.25Å; K44-T95 WeakPolarHBondContact CA-O 3.25Å; S45-T95 PolarHBondContact N-O 2.86Å; S93-T95 PolarHBondContact O-N 3.31Å
96	D	98.2	Very high	97.6	Very high	69 Å²	69	41.9 Å²	41.9	37%	0.369	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.3	-169.2	-65.6	-96.9	0	0	0	110.6	K44 G92 S93	K44-D96 WeakPolarHBondContact CE-OD1 3.36Å; K44-D96 IonicContact NZ-OD1 2.79Å; K44-D96 PolarHBondContact NZ-OD1 2.85Å; G92-D96 CarbonylContact C-O 3.57Å; G92-D96 WeakPolarHBondContact CA-O 3.48Å; S93-D96 PolarHBondContact N-O 2.83Å; S93-D96 VanDerWaalsContact N-O 3.08Å; S93-D96 PolarHBondContact O-N 2.95Å
97	F	98.4	Very high	97.4	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153.8	-175.5	-57.5	-82.1	0	0	0	111.4	S42 C43 L49 N57 L59 A77 S91 G94	S42-F97 CarbonylContact C-O 3.49Å; S42-F97 WeakPolarHBondContact CA-O 3.03Å; C43-F97 HydrophobicContact CB-CB 4.24Å; C43-F97 PolarHBondContact N-O 2.9Å; C43-F97 PolarHBondContact O-N 2.94Å; L49-F97 HydrophobicContact CB-CE2 4.27Å; L49-F97 HydrophobicContact CB-CZ 4.04Å; L49-F97 HydrophobicContact CD1-CE2 3.83Å; L49-F97 HydrophobicContact CD1-CZ 4.27Å; L49-F97 HydrophobicContact CG-CE2 4.2Å; L49-F97 HydrophobicContact CG-CZ 4.47Å; N57-F97 HydrophobicContact CB-CE1 3.97Å; N57-F97 HydrophobicContact CB-CZ 4.36Å; L59-F97 HydrophobicContact CB-CD1 4.28Å; L59-F97 HydrophobicContact CB-CE1 4.14Å; L59-F97 HydrophobicContact CB-CE2 4.44Å; L59-F97 HydrophobicContact CB-CG 4.47Å; L59-F97 HydrophobicContact CB-CZ 4.23Å; L59-F97 HydrophobicContact CD1-CD2 3.72Å; L59-F97 HydrophobicContact CD1-CE2 4.03Å; L59-F97 HydrophobicContact CD1-CG 4.07Å; L59-F97 HydrophobicContact CD2-CB 3.53Å; L59-F97 HydrophobicContact CD2-CD1 3.7Å; L59-F97 HydrophobicContact CD2-CD2 4.04Å; L59-F97 HydrophobicContact CD2-CE1 4.4Å; L59-F97 HydrophobicContact CD2-CG 3.48Å; L59-F97 VanDerWaalsContact CD2-CG 3.48Å; L59-F97 HydrophobicContact CG-CD1 4.42Å; L59-F97 HydrophobicContact CG-CD2 4.3Å; L59-F97 HydrophobicContact CG-CG 4.19Å; A77-F97 HydrophobicContact CB-CD1 3.62Å; A77-F97 HydrophobicContact CB-CE1 3.61Å; S91-F97 CarbonylContact O-C 3.09Å; S91-F97 VanDerWaalsContact O-CA 3.27Å; S91-F97 WeakPolarHBondContact O-CA 3.21Å; G94-F97 VanDerWaalsContact O-CE2 3.22Å; G94-F97 WeakPolarHBondContact O-CE2 3.35Å; G94-F97 VanDerWaalsContact O-CZ 3.27Å; G94-F97 WeakPolarHBondContact O-CZ 3.27Å
98	T	98.4	Very high	97.4	Very high	37 Å²	37	39.2 Å²	39.2	23%	0.227	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	150.2	174	64.4	0	0	0	0	112	T40 M41 G90 S91	T40-T98 HydrophobicContact CG2-CG2 4.23Å; M41-T98 CarbonylContact O-C 3.51Å; M41-T98 WeakPolarHBondContact O-CA 3.22Å; M41-T98 WeakPolarHBondContact O-CB 3.33Å; G90-T98 WeakPolarHBondContact CA-O 3.5Å; S91-T98 PolarHBondContact N-O 3.2Å; S91-T98 PolarHBondContact O-N 2.98Å; S91-T98 PolarHBondContact OG-OG1 3.22Å
99	L	98.6	Very high	97.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.7	165.6	173.8	61.2	0	0	0	108	T40 M41 W61 L73 I74 F88 Y112	T40-L99 CarbonylContact C-O 3.53Å; T40-L99 WeakPolarHBondContact CA-O 2.99Å; M41-L99 HydrophobicContact CE-CB 4.19Å; M41-L99 HydrophobicContact CE-CD2 3.48Å; M41-L99 VanDerWaalsContact CE-CD2 3.48Å; M41-L99 HydrophobicContact CE-CG 3.8Å; M41-L99 PolarHBondContact N-O 3.27Å; M41-L99 PolarHBondContact O-N 2.83Å; W61-L99 HydrophobicContact CB-CD2 4.37Å; W61-L99 HydrophobicContact CD2-CB 3.67Å; W61-L99 HydrophobicContact CD2-CD2 3.9Å; W61-L99 HydrophobicContact CD2-CG 4.31Å; W61-L99 HydrophobicContact CE3-CB 3.89Å; W61-L99 HydrophobicContact CE3-CD2 3.66Å; W61-L99 HydrophobicContact CE3-CG 4.41Å; W61-L99 HydrophobicContact CG-CB 4.27Å; W61-L99 HydrophobicContact CG-CD2 4.22Å; W61-L99 HydrophobicContact CH2-CB 3.83Å; W61-L99 HydrophobicContact CZ2-CB 3.63Å; W61-L99 HydrophobicContact CZ3-CB 3.96Å; W61-L99 HydrophobicContact CZ3-CD2 4.19Å; L73-L99 HydrophobicContact CD2-CD1 3.85Å; L73-L99 HydrophobicContact CD2-CD2 3.75Å; L73-L99 HydrophobicContact CD2-CG 4.48Å; I74-L99 HydrophobicContact CD1-CD1 3.68Å; F88-L99 HydrophobicContact CD1-CD1 4.44Å; L99-Y112 HydrophobicContact CD2-CD1 3.83Å; L99-Y112 HydrophobicContact CD2-CG 4.31Å
100	T	98.4	Very high	97.1	Very high	23 Å²	23	44.7 Å²	44.7	14%	0.141	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.9	176.5	-65.3	0	0	0	0	109.9	K38 V39 T40 F88 T89	K38-T100 HydrophobicContact CD-CG2 4.41Å; K38-T100 HydrophobicContact CG-CG2 4.19Å; V39-T100 CarbonylContact O-C 3.56Å; V39-T100 VanDerWaalsContact O-CA 3.25Å; V39-T100 WeakPolarHBondContact O-CA 3.48Å; T40-T100 PolarHBondContact OG1-OG1 3.06Å; T40-T100 VanDerWaalsContact OG1-OG1 3.12Å; F88-T100 CarbonylContact C-O 3.44Å; F88-T100 WeakPolarHBondContact CA-O 3.28Å; T89-T100 PolarHBondContact N-O 2.01Å; T89-T100 PolarHBondContact O-N 3.31Å
101	I	98.3	Very high	97	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.031	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	108.8	166.4	-47.8	177.5	0	0	0	105.7	K38 V39 M41 R87 F88 V104 Y112	K38-I101 CarbonylContact C-O 3.55Å; K38-I101 VanDerWaalsContact CA-O 3.28Å; K38-I101 WeakPolarHBondContact CA-O 3.28Å; V39-I101 HydrophobicContact CB-CB 4.46Å; V39-I101 PolarHBondContact N-O 3.37Å; V39-I101 PolarHBondContact O-N 3.42Å; M41-I101 HydrophobicContact CE-CD1 4.44Å; R87-I101 CarbonylContact O-C 3.56Å; R87-I101 WeakPolarHBondContact O-CA 3.21Å; F88-I101 HydrophobicContact CD1-CD1 4.18Å; F88-I101 HydrophobicContact CD1-CG1 3.74Å; F88-I101 HydrophobicContact CE1-CD1 3.56Å; F88-I101 HydrophobicContact CE1-CG1 3.64Å; F88-I101 HydrophobicContact CE1-CG2 4.23Å; F88-I101 HydrophobicContact CZ-CD1 4.34Å; F88-I101 HydrophobicContact CZ-CG2 4.38Å; I101-V104 HydrophobicContact CB-CG2 4.05Å; I101-V104 HydrophobicContact CG2-CG2 3.79Å; I101-Y112 HydrophobicContact CD1-CE1 4.46Å; I101-Y112 HydrophobicContact CD1-CE2 4.25Å
102	S	97.9	Very high	97	Very high	63 Å²	63	47.2 Å²	47.2	44%	0.441	29%	0.291	S	S	.	.	S	Bend	trans	-75.1	-25	-170.7	65.7	0	0	0	0	114.1	R87	R87-S102 WeakPolarHBondContact CA-OG 3.25Å; R87-S102 WeakPolarHBondContact CB-OG 3.39Å; R87-S102 PolarHBondContact O-N 2.82Å; R87-S102 PolarHBondContact O-OG 2.79Å
103	N	97.7	Very high	96.9	Very high	65 Å²	65	48.1 Å²	48.1	35%	0.348	28%	0.282	S	S	.	.	S	Bend	trans	-149.8	94.3	-179.2	173.7	27	0	0	0	108.2	G36 R87 H105	G36-N103 WeakPolarHBondContact CA-OD1 3.27Å; R87-N103 WeakPolarHBondContact CD-O 2.98Å; N103-H105 PolarHBondContact ND2-NE2 3.28Å; N103-H105 VanDerWaalsContact ND2-NE2 3.11Å
104	V	97.8	Very high	97	Very high	10 Å²	10	45.6 Å²	45.6	6%	0.061	27%	0.265	C	S	.	.			trans	-68.8	134.9	-177.1	171.1	0	0	0	0	111.1	V33 A35 G36 E37 V39 I101 D108	V33-V104 HydrophobicContact CG2-CG1 3.81Å; V33-V104 HydrophobicContact CG2-CG2 4.42Å; A35-V104 CarbonylContact C-O 3.54Å; A35-V104 VanDerWaalsContact CA-O 3.25Å; A35-V104 WeakPolarHBondContact CA-O 3.49Å; G36-V104 PolarHBondContact N-O 3.3Å; E37-V104 WeakPolarHBondContact O-CG2 3Å; E37-V104 PolarHBondContact O-N 2.93Å; V39-V104 HydrophobicContact CB-CG2 4.27Å; V39-V104 HydrophobicContact CG2-CG2 3.58Å; I101-V104 HydrophobicContact CB-CG2 4.05Å; I101-V104 HydrophobicContact CG2-CG2 3.79Å; V104-D108 HydrophobicContact CG1-CB 4.36Å
105	H	97.1	Very high	97	Very high	64 Å²	64	49.2 Å²	49.2	30%	0.296	28%	0.278	S	S	.	.			trans	-114.5	168.7	169.9	-63.1	-179.9	0	0	0	112.2	N103 E107 D108	N103-H105 PolarHBondContact ND2-NE2 3.28Å; N103-H105 VanDerWaalsContact ND2-NE2 3.11Å; H105-E107 HydrophobicContact CB-CG 4.41Å; H105-E107 WeakPolarHBondContact CB-OE1 3.47Å; H105-E107 WeakPolarHBondContact CB-OE2 3.36Å; H105-E107 IonicContact CG-OE1 2.94Å; H105-E107 IonicContact CG-OE2 2.89Å; H105-E107 IonicContact ND1-OE1 3.52Å; H105-E107 PolarHBondContact ND1-OE1 3.3Å; H105-E107 IonicContact ND1-OE2 3.96Å; H105-E107 PolarHBondContact O-N 3.46Å; H105-D108 PolarHBondContact N-OD2 2.9Å; H105-D108 WeakPolarHBondContact O-CB 3.25Å; H105-D108 PolarHBondContact O-N 2.92Å
106	A	94.4	Very high	96.7	Very high	90 Å²	90	47.5 Å²	47.5	74%	0.744	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-59.7	-33.4	178.3	0	0	0	0	0	112.8	D108 L109	A106-D108 PolarHBondContact O-N 3.09Å; A106-L109 PolarHBondContact O-N 2.78Å
107	E	94.5	Very high	96	Very high	90 Å²	90	46.5 Å²	46.5	42%	0.421	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-71.1	-9.4	177.2	70.9	-87.2	-168	0	0	114.6	K65 R87 H105 L109	K65-E107 WeakPolarHBondContact CE-O 3.47Å; K65-E107 PolarHBondContact NZ-O 3.23Å; R87-E107 IonicContact CZ-OE1 2.66Å; R87-E107 IonicContact NH1-OE1 3.55Å; R87-E107 IonicContact NH2-OE1 3.61Å; R87-E107 PolarHBondContact NH2-OE1 3.02Å; H105-E107 HydrophobicContact CB-CG 4.41Å; H105-E107 WeakPolarHBondContact CB-OE1 3.47Å; H105-E107 WeakPolarHBondContact CB-OE2 3.36Å; H105-E107 IonicContact CG-OE1 2.94Å; H105-E107 IonicContact CG-OE2 2.89Å; H105-E107 IonicContact ND1-OE1 3.52Å; H105-E107 PolarHBondContact ND1-OE1 3.3Å; H105-E107 IonicContact ND1-OE2 3.96Å; H105-E107 PolarHBondContact O-N 3.46Å; E107-L109 VanDerWaalsContact C-N 3.29Å
108	D	96.2	Very high	94.4	Very high	10 Å²	10	53.3 Å²	53.3	5%	0.053	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-86.6	-0.7	-179.8	-58.5	-28.8	0	0	0	112.2	R87 F88 V104 H105 A106 A110 Y112	R87-D108 IonicContact CZ-OD1 3.09Å; R87-D108 IonicContact CZ-OD2 3.2Å; R87-D108 IonicContact NE-OD1 2.71Å; R87-D108 PolarHBondContact NE-OD1 3.24Å; R87-D108 IonicContact NE-OD2 3.38Å; R87-D108 PolarHBondContact NE-OD2 2.95Å; R87-D108 IonicContact NH2-OD1 3.52Å; R87-D108 PolarHBondContact NH2-OD1 2.77Å; R87-D108 IonicContact NH2-OD2 3.64Å; F88-D108 HydrophobicContact CZ-CB 4.36Å; F88-D108 WeakPolarHBondContact CZ-OD1 3.23Å; V104-D108 HydrophobicContact CG1-CB 4.36Å; H105-D108 PolarHBondContact N-OD2 2.9Å; H105-D108 WeakPolarHBondContact O-CB 3.25Å; H105-D108 PolarHBondContact O-N 2.92Å; A106-D108 PolarHBondContact O-N 3.09Å; D108-A110 PolarHBondContact O-N 2.71Å; D108-Y112 WeakPolarHBondContact O-CE2 3.06Å; D108-Y112 PolarHBondContact O-OH 2.87Å
109	L	94.5	Very high	92.3	Very high	156 Å²	156	53.6 Å²	53.6	82%	0.817	30%	0.303	S	S	*	.			trans	-65.1	103.2	172.6	-174.6	67.4	0	0	0	110.4	A106 E107	A106-L109 PolarHBondContact O-N 2.78Å; E107-L109 VanDerWaalsContact C-N 3.29Å
110	A	96.4	Very high	90	Very high	28 Å²	28	58.6 Å²	58.6	23%	0.231	34%	0.338	C	S	.	.	S	Bend	trans	-160.5	167.3	-176.3	0	0	0	0	0	110.7	Q63 Q64 K65 D108 Y112	Q63-A110 HydrophobicContact CG-CB 3.48Å; Q63-A110 VanDerWaalsContact CG-CB 3.48Å; Q64-A110 WeakPolarHBondContact O-CB 3.26Å; K65-A110 HydrophobicContact CG-CB 4.05Å; D108-A110 PolarHBondContact O-N 2.71Å; A110-Y112 HydrophobicContact CB-CE2 3.94Å; A110-Y112 WeakPolarHBondContact O-CD2 3.27Å
111	V	97	Very high	87.8	Confident	90 Å²	90	60.2 Å²	60.2	55%	0.545	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131.8	162.9	178.9	0	0	0	0	108.1	Q64	Q64-V111 HydrophobicContact CB-CB 4.45Å; Q64-V111 PolarHBondContact N-O 2.87Å; Q64-V111 PolarHBondContact O-N 2.81Å
112	Y	97.4	Very high	85.1	Confident	24 Å²	24	66.8 Å²	66.8	9%	0.094	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.4	175.3	-63	-90	0	0	0	109.7	Q26 M41 Y62 Q63 L73 F88 L99 I101 D108 A110	Q26-Y112 PolarHBondContact NE2-O 2.82Å; Q26-Y112 VanDerWaalsContact NE2-O 3.1Å; M41-Y112 HydrophobicContact CE-CD1 4.37Å; M41-Y112 HydrophobicContact CE-CD2 4.01Å; M41-Y112 HydrophobicContact CE-CG 3.81Å; M41-Y112 HydrophobicContact SD-CD2 4.3Å; M41-Y112 HydrophobicContact SD-CG 4.3Å; Y62-Y112 WeakPolarHBondContact O-CA 3.41Å; Q63-Y112 HydrophobicContact CB-CD1 4.12Å; Q63-Y112 HydrophobicContact CB-CE1 3.88Å; Q63-Y112 HydrophobicContact CG-CD1 4.23Å; Q63-Y112 HydrophobicContact CG-CE1 3.65Å; Q63-Y112 PolarHBondContact NE2-OH 2.75Å; L73-Y112 HydrophobicContact CD2-CD1 4.21Å; L73-Y112 HydrophobicContact CD2-CE1 4.16Å; F88-Y112 AromaticContact CE1-CE1 3.86Å; F88-Y112 HydrophobicContact CE1-CE1 3.86Å; L99-Y112 HydrophobicContact CD2-CD1 3.83Å; L99-Y112 HydrophobicContact CD2-CG 4.31Å; I101-Y112 HydrophobicContact CD1-CE1 4.46Å; I101-Y112 HydrophobicContact CD1-CE2 4.25Å; D108-Y112 WeakPolarHBondContact O-CE2 3.06Å; D108-Y112 PolarHBondContact O-OH 2.87Å; A110-Y112 HydrophobicContact CB-CE2 3.94Å; A110-Y112 WeakPolarHBondContact O-CD2 3.27Å
113	Y	96.4	Very high	82.4	Confident	58 Å²	58	72.3 Å²	72.3	23%	0.227	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	149.6	175.4	66.3	-89.5	0	0	0	112.1	W61 Y62 P70	W61-Y113 WeakPolarHBondContact CA-O 3.37Å; Y62-Y113 VanDerWaalsContact CB-CZ 3.46Å; Y62-Y113 HydrophobicContact CD2-CD2 4.19Å; Y62-Y113 AromaticContact CD2-CE2 3.65Å; Y62-Y113 HydrophobicContact CD2-CE2 3.65Å; Y62-Y113 HydrophobicContact CE2-CE2 4.5Å; Y62-Y113 AromaticContact CG-CE2 3.83Å; Y62-Y113 HydrophobicContact CG-CE2 3.83Å; Y62-Y113 AromaticContact CG-CZ 3.83Å; Y62-Y113 PolarHBondContact N-O 3.28Å; Y62-Y113 PolarHBondContact O-N 2.9Å; Y62-Y113 VanDerWaalsContact O-N 3.16Å; P70-Y113 HydrophobicContact CB-CE1 4.06Å; P70-Y113 WeakPolarHBondContact CB-OH 3.43Å; P70-Y113 HydrophobicContact CG-CE1 4.25Å; P70-Y113 VanDerWaalsContact CG-OH 3.25Å; P70-Y113 WeakPolarHBondContact CG-OH 3.31Å
114	C	96.9	Very high	81.6	Confident	8 Å²	8	72.7 Å²	72.7	5%	0.054	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	149.4	174.4	65.6	0	0	0	0	109.9	Q26 C43 L59 S60 W61	Q26-C114 VanDerWaalsContact CG-SG 3.56Å; Q26-C114 PolarHBondContact OE1-SG 2.96Å; C43-C114 HydrophobicContact CB-CB 3.61Å; C43-C114 WeakPolarHBondContact CB-SG 3.47Å; C43-C114 WeakPolarHBondContact SG-CB 3.33Å; C43-C114 CovalentContact SG-SG 2.01Å; C43-C114 PolarHBondContact SG-SG 2.8Å; L59-C114 HydrophobicContact CD1-CB 4.1Å; L59-C114 HydrophobicContact CG-CB 4.49Å; S60-C114 CarbonylContact O-C 3.57Å; S60-C114 VanDerWaalsContact O-CA 3.28Å; S60-C114 WeakPolarHBondContact O-CA 3.39Å; W61-C114 HydrophobicContact CD2-CB 3.97Å; W61-C114 HydrophobicContact CE3-CB 3.81Å; W61-C114 HydrophobicContact CH2-CB 3.99Å; W61-C114 HydrophobicContact CZ2-CB 4.11Å; W61-C114 HydrophobicContact CZ3-CB 3.83Å
115	Q	95	Very high	80.8	Confident	87 Å²	87	76 Å²	76	41%	0.407	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	142.2	177.4	-164.8	-174.8	-52.9	0	0	109.2	S60 Y62	S60-Q115 PolarHBondContact N-O 2.97Å; S60-Q115 PolarHBondContact O-N 3.39Å; Y62-Q115 HydrophobicContact CD2-CB 4.37Å; Y62-Q115 HydrophobicContact CE2-CB 3.99Å
116	H	91.3	Very high	79.9	Confident	18 Å²	18	76.7 Å²	76.7	8%	0.083	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	141.6	168.1	72.3	102.4	0	0	0	110.2	M24 L49 Y58 H118 F121	M24-H116 HydrophobicContact SD-CB 4.27Å; L49-H116 HydrophobicContact CD1-CB 3.73Å; L49-H116 HydrophobicContact CD2-CB 3.62Å; L49-H116 HydrophobicContact CG-CB 4.34Å; Y58-H116 CarbonylContact O-C 3.56Å; Y58-H116 VanDerWaalsContact O-CA 3.26Å; Y58-H116 WeakPolarHBondContact O-CA 3.36Å; H116-H118 AromaticContact CE1-CD2 3.46Å; H116-H118 PolarHBondContact CE1-CD2 2.86Å; H116-H118 VanDerWaalsContact CE1-CD2 3.46Å; H116-F121 AromaticContact ND1-CE2 3.47Å; H116-F121 WeakPolarHBondContact ND1-CE2 3.21Å
117	N	83.4	Confident	79	Confident	49 Å²	49	75.9 Å²	75.9	26%	0.262	42%	0.424	S	S	.	.			trans	-82.9	118.8	174.2	-60.1	-54.7	0	0	0	107.7	Y58 S60 G119 F121	Y58-N117 HydrophobicContact CD1-CB 4.24Å; Y58-N117 PolarHBondContact O-N 2.88Å; S60-N117 PolarHBondContact OG-ND2 3.11Å; S60-N117 PolarHBondContact OG-OD1 2.94Å; N117-G119 PolarHBondContact O-N 2.95Å; N117-F121 WeakPolarHBondContact O-CE2 3.28Å
118	H	64.2	Low	78	Confident	144 Å²	144	75 Å²	75	67%	0.667	42%	0.424	S	S	*	.			trans	-73.5	41.9	-171.4	-146.5	-71.2	0	0	0	113.9	H116 S120	H116-H118 AromaticContact CE1-CD2 3.46Å; H116-H118 PolarHBondContact CE1-CD2 2.86Å; H116-H118 VanDerWaalsContact CE1-CD2 3.46Å; H118-S120 VanDerWaalsContact C-N 3.29Å; H118-S120 PolarHBondContact O-N 3.5Å
119	G	55.6	Low	76.8	Confident	42 Å²	42	79.3 Å²	79.3	43%	0.433	45%	0.449	S	S	.	.	S	Bend	trans	-73.8	84.8	170.7	0	0	0	0	0	109.5	N117 F121	N117-G119 PolarHBondContact O-N 2.95Å; G119-F121 PolarHBondContact O-N 2.93Å
120	S	49.2	Very low	75.6	Confident	106 Å²	106	73.9 Å²	73.9	74%	0.741	42%	0.422	S	S	*	.			trans	29.7	79.2	163.5	53.7	0	0	0	0	114.8	H118 L122	H118-S120 VanDerWaalsContact C-N 3.29Å; H118-S120 PolarHBondContact O-N 3.5Å; S120-L122 PolarHBondContact O-N 3.5Å
121	F	52.4	Low	74	Confident	56 Å²	56	77.4 Å²	77.4	25%	0.246	44%	0.437	C	S	.	.			trans	-76.4	98.9	171	-64.2	-90.4	0	0	0	109.6	I22 L49 H116 N117 G119	I22-F121 HydrophobicContact CD1-CD1 3.93Å; I22-F121 HydrophobicContact CD1-CD2 3.64Å; I22-F121 HydrophobicContact CD1-CE1 3.98Å; I22-F121 HydrophobicContact CD1-CE2 3.72Å; I22-F121 HydrophobicContact CD1-CG 3.77Å; I22-F121 HydrophobicContact CD1-CZ 3.89Å; L49-F121 HydrophobicContact CD2-CE1 3.95Å; L49-F121 HydrophobicContact CD2-CZ 3.87Å; H116-F121 AromaticContact ND1-CE2 3.47Å; H116-F121 WeakPolarHBondContact ND1-CE2 3.21Å; N117-F121 WeakPolarHBondContact O-CE2 3.28Å; G119-F121 PolarHBondContact O-N 2.93Å
122	L	41.2	Very low	72.1	Confident	145 Å²	145	76.3 Å²	76.3	76%	0.759	43%	0.428	S	S	*	.			trans	-138.9	133.9	145.6	-74.8	178.2	0	0	0	106.8	W51 S120	W51-L122 VanDerWaalsContact CH2-O 3.28Å; W51-L122 WeakPolarHBondContact CH2-O 3.28Å; S120-L122 PolarHBondContact O-N 3.5Å
123	P	41.5	Very low	69.7	Low	179 Å²	179	81.1 Å²	81.1	100%	1.162	46%	0.458	S	S	*	.			trans	-59.1	0	174.6	24.7	-31.9	0	0	0	112.9

Retrieved 123 of 123 residues in 108.5 ms (Link to these results)

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