A0A075B5W1_MOUSE Loading...

Immunoglobulin heavy variable 1-50

AlphaFold DB , UniProt , Accession A0A075B5W1, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-50, Length 117 aa.

						>A0A075B5W1_MOUSE|A0A075B5W1|Ighv1-50
MGWSCIILFLVATATGVHSQVQLQQPGAELVKPGASVKLSCKASGYTFTSYWMQWVKQRPGQGLEWIGEIDPSDSYTNYNQKFKGKATLTVDTSSSTAYMQLSSLTSEDSAVYYCAR
					

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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	49.3	Very low	61.8	Low	250 Å²	250	156.7 Å²	156.7	100%	1.232	84%	0.842	S	S	*	*				0	84.4	0	-68.1	156.7	65.2	0	0	107.4
2	G	51.5	Low	62.3	Low	78 Å²	78	151.8 Å²	151.8	80%	0.804	84%	0.839	S	S	*	*			trans	-114.8	109	-177.7	0	0	0	0	0	109.1
3	W	53.9	Low	62.8	Low	256 Å²	256	148.6 Å²	148.6	97%	0.97	83%	0.827	S	S	*	*			trans	-95.5	98.9	174.2	-114.8	-21.1	0	0	0	108.5	C5	W3-C5 PolarHBondContact O-N 3.07Å
4	S	62.8	Low	63.2	Low	112 Å²	112	145.4 Å²	145.4	78%	0.783	83%	0.829	S	S	*	*			trans	-74.3	111	164.4	-73.2	0	0	0	0	108.9	I6	S4-I6 PolarHBondContact O-N 3.37Å
5	C	66	Low	63.3	Low	119 Å²	119	143.5 Å²	143.5	80%	0.804	82%	0.821	S	S	*	*			trans	-75.2	104.8	168.6	-69.5	0	0	0	0	109.6	W3 I7	W3-C5 PolarHBondContact O-N 3.07Å; C5-I7 PolarHBondContact O-N 2.77Å
6	I	68.8	Low	63.3	Low	149 Å²	149	138.2 Å²	138.2	76%	0.764	81%	0.808	S	S	*	*			trans	-77.7	114.8	166.7	-69.8	162	0	0	0	107.8	S4	S4-I6 PolarHBondContact O-N 3.37Å
7	I	69.1	Low	63.6	Low	135 Å²	135	137.8 Å²	137.8	69%	0.692	81%	0.807	S	S	*	*			trans	-84.3	113.3	169.6	-62.6	-173.9	0	0	0	108.1	C5 F9	C5-I7 PolarHBondContact O-N 2.77Å; I7-F9 HydrophobicContact CG2-CD2 4.13Å; I7-F9 HydrophobicContact CG2-CE2 3.98Å
8	L	64.7	Low	63.8	Low	151 Å²	151	139.9 Å²	139.9	79%	0.791	81%	0.808	S	S	*	*			trans	-86.1	115.1	167.9	-88.5	152.8	0	0	0	109.1	L10	L8-L10 PolarHBondContact O-N 3.47Å
9	F	61.6	Low	64.6	Low	183 Å²	183	137.2 Å²	137.2	80%	0.803	80%	0.798	S	S	*	*			trans	-81.9	107.2	166.4	-83.7	-85.4	0	0	0	109.4	I7 V11	I7-F9 HydrophobicContact CG2-CD2 4.13Å; I7-F9 HydrophobicContact CG2-CE2 3.98Å; F9-V11 PolarHBondContact O-N 2.9Å
10	L	61.4	Low	66	Low	168 Å²	168	137.5 Å²	137.5	88%	0.88	79%	0.791	S	S	*	*			trans	-82.4	104.1	166.5	-86.2	159.4	0	0	0	108.7	L8 A12	L8-L10 PolarHBondContact O-N 3.47Å; L10-A12 PolarHBondContact O-N 2.99Å
11	V	70.7	Confident	67.4	Low	123 Å²	123	133.7 Å²	133.7	75%	0.745	77%	0.77	S	S	*	*			trans	-81.5	103.4	167.7	-178.2	0	0	0	0	107.6	F9 T13	F9-V11 PolarHBondContact O-N 2.9Å; V11-T13 HydrophobicContact CG1-CG2 4.4Å; V11-T13 PolarHBondContact O-N 3.31Å
12	A	68.1	Low	69.7	Low	97 Å²	97	126.4 Å²	126.4	80%	0.802	73%	0.733	S	S	*	*			trans	-79.7	103.1	169.5	0	0	0	0	0	109	L10 A14	L10-A12 PolarHBondContact O-N 2.99Å; A12-A14 PolarHBondContact O-N 3.4Å
13	T	68	Low	71.9	Confident	111 Å²	111	125.2 Å²	125.2	68%	0.681	71%	0.708	S	S	*	*			trans	-75.3	104.2	169.4	52.8	0	0	0	0	108.8	V11 T15	V11-T13 HydrophobicContact CG1-CG2 4.4Å; V11-T13 PolarHBondContact O-N 3.31Å; T13-T15 VanDerWaalsContact C-N 3.35Å; T13-T15 PolarHBondContact O-N 2.99Å
14	A	69	Low	74	Confident	104 Å²	104	119.5 Å²	119.5	86%	0.86	69%	0.692	S	S	*	*			trans	-70.4	93.5	166.6	0	0	0	0	0	108.5	A12 G16	A12-A14 PolarHBondContact O-N 3.4Å; A14-G16 VanDerWaalsContact C-N 3.29Å; A14-G16 PolarHBondContact O-N 3.19Å
15	T	64.8	Low	75.6	Confident	116 Å²	116	116.2 Å²	116.2	71%	0.712	67%	0.665	S	S	*	*			trans	-78.8	82.1	173.2	56.2	0	0	0	0	109	T13 V17	T13-T15 VanDerWaalsContact C-N 3.35Å; T13-T15 PolarHBondContact O-N 2.99Å; T15-V17 PolarHBondContact O-N 3.38Å
16	G	64	Low	77	Confident	59 Å²	59	113.8 Å²	113.8	61%	0.608	65%	0.647	S	S	*	*			trans	-67.5	113.6	159.9	0	0	0	0	0	108.4	A14 H18	A14-G16 VanDerWaalsContact C-N 3.29Å; A14-G16 PolarHBondContact O-N 3.19Å; G16-H18 VanDerWaalsContact C-N 3.33Å; G16-H18 PolarHBondContact O-N 2.82Å
17	V	67.5	Low	78.2	Confident	131 Å²	131	109.8 Å²	109.8	79%	0.794	64%	0.643	S	S	*	*			trans	-78.3	87.5	175.4	-175.8	0	0	0	0	108.2	T15 S19	T15-V17 PolarHBondContact O-N 3.38Å; V17-S19 PolarHBondContact O-N 3.44Å
18	H	67.1	Low	79.4	Confident	177 Å²	177	108.5 Å²	108.5	82%	0.819	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-77.2	116.8	164.6	-73	-69.5	0	0	0	108.4	G16 Q20	G16-H18 VanDerWaalsContact C-N 3.33Å; G16-H18 PolarHBondContact O-N 2.82Å; H18-Q20 PolarHBondContact O-N 3.2Å
19	S	79.8	Confident	80.7	Confident	88 Å²	88	105.8 Å²	105.8	62%	0.615	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-71.7	116.5	171.1	-71.6	0	0	0	0	109.1	V17	V17-S19 PolarHBondContact O-N 3.44Å
20	Q	92.3	Very high	82.3	Confident	143 Å²	143	105.6 Å²	105.6	67%	0.668	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-74.2	128.2	173.2	-172.9	-178.6	38.2	0	0	109.4	H18 Q22 G45	H18-Q20 PolarHBondContact O-N 3.2Å; Q20-Q22 HydrophobicContact CG-CG 4.31Å; Q20-G45 WeakPolarHBondContact O-CA 3.44Å
21	V	94.9	Very high	83.9	Confident	58 Å²	58	100.8 Å²	100.8	35%	0.352	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-70.8	128.3	173.6	172.5	0	0	0	0	108.8	Y46 R117	V21-Y46 HydrophobicContact CG1-CD1 4.07Å; V21-Y46 HydrophobicContact CG1-CE1 4.26Å; V21-R117 VanDerWaalsContact CG1-NE 3.28Å
22	Q	97.1	Very high	85.1	Confident	97 Å²	97	103.1 Å²	103.1	45%	0.453	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.6	140	178.3	-64.1	-178.4	-17.4	0	0	110.6	Q20 A43 S44	Q20-Q22 HydrophobicContact CG-CG 4.31Å; Q22-A43 WeakPolarHBondContact O-CA 3.41Å; Q22-S44 PolarHBondContact N-O 3.25Å; Q22-S44 PolarHBondContact O-N 2.82Å
23	L	97.9	Very high	86.4	Confident	53 Å²	53	104 Å²	104	28%	0.277	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.3	115.1	171.1	-63.4	-177.3	0	0	0	107.5	K42 A43 Y46 M53 R117	L23-K42 WeakPolarHBondContact CA-O 3.27Å; L23-A43 HydrophobicContact CD2-CB 3.8Å; L23-Y46 HydrophobicContact CD2-CE1 4.19Å; L23-M53 HydrophobicContact CD1-SD 4.48Å; L23-M53 HydrophobicContact CD2-CE 3.83Å; L23-R117 HydrophobicContact CD1-CG 4.45Å
24	Q	97.9	Very high	87.7	Confident	136 Å²	136	101.2 Å²	101.2	64%	0.636	61%	0.61	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-109.9	120.4	-176.5	-175.6	64.5	65.2	0	0	110.4	C41 K42	Q24-C41 WeakPolarHBondContact O-CA 3.44Å; Q24-K42 PolarHBondContact N-O 3.22Å; Q24-K42 PolarHBondContact O-N 2.69Å
25	Q	98.1	Very high	89.1	Confident	43 Å²	43	98 Å²	98	20%	0.201	58%	0.584	C	S	.	*			trans	-106	152.4	170.4	-65	-178.2	-103.9	0	0	110	S40 C41 Y113 C115	Q25-S40 WeakPolarHBondContact CG-O 3.44Å; Q25-C41 HydrophobicContact CG-CB 4.17Å; Q25-Y113 PolarHBondContact NE2-O 3.22Å; Q25-Y113 PolarHBondContact OE1-O 3.33Å; Q25-C115 VanDerWaalsContact CD-SG 3.6Å; Q25-C115 VanDerWaalsContact CG-SG 3.54Å
26	P	94.2	Very high	90.6	Very high	67 Å²	67	95.5 Å²	95.5	44%	0.435	57%	0.571	S	S	.	*			trans	-66	172.7	171.5	29.5	-34.1	0	0	0	111.4	S40	P26-S40 WeakPolarHBondContact CD-O 3.41Å; P26-S40 WeakPolarHBondContact CD-OG 2.95Å
27	G	93.6	Very high	92.2	Very high	65 Å²	65	93.4 Å²	93.4	67%	0.67	55%	0.546	S	S	*	.			trans	-66.7	-174	175.6	0	0	0	0	0	113.4
28	A	94.4	Very high	93.6	Very high	109 Å²	109	92.3 Å²	92.3	90%	0.901	53%	0.531	S	S	*	.			trans	-63.4	141.3	-179.2	0	0	0	0	0	112.4
29	E	93	Very high	95.1	Very high	94 Å²	94	84.9 Å²	84.9	44%	0.439	50%	0.497	S	S	.	.			trans	-110.5	131.9	173.6	-65.2	-161.7	-142.3	0	0	110.6	V37	E29-V37 HydrophobicContact CB-CG2 4.16Å; E29-V37 VanDerWaalsContact CD-CG2 3.45Å; E29-V37 HydrophobicContact CG-CG2 4.37Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.36Å
30	L	94.8	Very high	96	Very high	179 Å²	179	82.4 Å²	82.4	94%	0.937	48%	0.48	S	S	*	.			trans	-104.6	120.1	172.1	-69.2	175	0	0	0	108.9
31	V	94.6	Very high	96.3	Very high	66 Å²	66	75.6 Å²	75.6	40%	0.4	45%	0.448	S	S	.	.			trans	-130.1	146	-173.1	-64.8	0	0	0	0	110.7	V37 L105	V31-V37 HydrophobicContact CG1-CB 4.18Å; V31-V37 HydrophobicContact CG1-CG2 4.07Å; V31-L105 HydrophobicContact CB-CD1 4.31Å; V31-L105 HydrophobicContact CG2-CD1 3.52Å
32	K	95.5	Very high	96.4	Very high	172 Å²	172	78.6 Å²	78.6	75%	0.748	46%	0.456	S	S	*	.			trans	-75	148.1	176.1	-66.5	179.5	-178.8	178.4	0	110	G34 A35	K32-G34 PolarHBondContact O-N 2.86Å; K32-A35 WeakPolarHBondContact O-CB 3.15Å; K32-A35 PolarHBondContact O-N 2.95Å
33	P	95.4	Very high	96.5	Very high	115 Å²	115	74.2 Å²	74.2	75%	0.747	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	139.8	168.9	-25	34.4	0	0	0	111.6	A35 L105	P33-A35 PolarHBondContact O-N 2.84Å; P33-L105 CarbonylContact C-O 3.56Å; P33-L105 WeakPolarHBondContact CA-O 3.16Å
34	G	96.8	Very high	96.5	Very high	53 Å²	53	74.2 Å²	74.2	55%	0.546	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	-13.9	-175.2	0	0	0	0	0	114.9	K32 L105	K32-G34 PolarHBondContact O-N 2.86Å; G34-L105 PolarHBondContact N-O 2.88Å
35	A	97.5	Very high	96.4	Very high	36 Å²	36	69.3 Å²	69.3	30%	0.298	43%	0.427	S	S	.	.			trans	-72.6	170.7	175.5	0	0	0	0	0	111.9	K32 P33 S104 L105	K32-A35 WeakPolarHBondContact O-CB 3.15Å; K32-A35 PolarHBondContact O-N 2.95Å; P33-A35 PolarHBondContact O-N 2.84Å; A35-S104 PolarHBondContact O-N 2.57Å; A35-L105 WeakPolarHBondContact O-CG 3.42Å; A35-L105 PolarHBondContact O-N 2.86Å
36	S	97.1	Very high	96.2	Very high	64 Å²	64	69.2 Å²	69.2	45%	0.448	43%	0.425	S	S	.	.			trans	-113.4	152.5	171.1	-54.4	0	0	0	0	110	L102 S103	S36-L102 CarbonylContact C-O 3.56Å; S36-L102 WeakPolarHBondContact CA-O 3.29Å; S36-L102 WeakPolarHBondContact CB-O 3.45Å; S36-S103 WeakPolarHBondContact OG-CA 3.15Å
37	V	97.4	Very high	96.3	Very high	15 Å²	15	70.3 Å²	70.3	9%	0.091	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.6	177.1	74.6	0	0	0	0	110	E29 V31 L39 Q101 L102 L105	E29-V37 HydrophobicContact CB-CG2 4.16Å; E29-V37 VanDerWaalsContact CD-CG2 3.45Å; E29-V37 HydrophobicContact CG-CG2 4.37Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.36Å; V31-V37 HydrophobicContact CG1-CB 4.18Å; V31-V37 HydrophobicContact CG1-CG2 4.07Å; V37-L39 HydrophobicContact CG1-CD2 4.36Å; V37-L39 HydrophobicContact CG1-CG 4.46Å; V37-L39 HydrophobicContact CG2-CD2 4Å; V37-Q101 CarbonylContact O-C 3.51Å; V37-Q101 VanDerWaalsContact O-CA 3.27Å; V37-Q101 WeakPolarHBondContact O-CA 3.41Å; V37-L102 HydrophobicContact CG1-CB 4.04Å; V37-L102 HydrophobicContact CG1-CD1 4.32Å; V37-L102 PolarHBondContact N-O 2.85Å; V37-L102 PolarHBondContact O-N 2.95Å; V37-L105 HydrophobicContact CB-CD1 3.9Å; V37-L105 HydrophobicContact CG1-CD1 3.7Å
38	K	97.4	Very high	96.4	Very high	109 Å²	109	67.6 Å²	67.6	47%	0.474	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	99.8	176.6	-173	179.4	-177.8	-179.2	0	110	Y99	K38-Y99 HydrophobicContact CD-CD1 4.37Å; K38-Y99 HydrophobicContact CG-CD1 4.35Å
39	L	97.8	Very high	96.6	Very high	21 Å²	21	65.3 Å²	65.3	11%	0.11	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	143.2	176.4	-52.1	-176.5	0	0	0	109.9	V37 W55 Y99 M100 Y113	V37-L39 HydrophobicContact CG1-CD2 4.36Å; V37-L39 HydrophobicContact CG1-CG 4.46Å; V37-L39 HydrophobicContact CG2-CD2 4Å; L39-W55 HydrophobicContact CB-CH2 4.03Å; L39-W55 HydrophobicContact CB-CZ3 3.96Å; L39-W55 HydrophobicContact CD1-CZ3 4.37Å; L39-Y99 CarbonylContact O-C 3.48Å; L39-Y99 WeakPolarHBondContact O-CA 3.16Å; L39-M100 HydrophobicContact CD1-CE 3.67Å; L39-M100 PolarHBondContact N-O 2.86Å; L39-M100 PolarHBondContact O-N 2.84Å; L39-Y113 VanDerWaalsContact CD1-CB 3.49Å; L39-Y113 HydrophobicContact CD1-CD1 4.43Å; L39-Y113 HydrophobicContact CD1-CD2 4.04Å; L39-Y113 HydrophobicContact CD1-CG 3.74Å
40	S	98.3	Very high	96.8	Very high	35 Å²	35	64.4 Å²	64.4	25%	0.245	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148.7	174.9	62.5	0	0	0	0	111.1	Q25 P26 A98 Y99	Q25-S40 WeakPolarHBondContact CG-O 3.44Å; P26-S40 WeakPolarHBondContact CD-O 3.41Å; P26-S40 WeakPolarHBondContact CD-OG 2.95Å; S40-A98 CarbonylContact C-O 3.57Å; S40-A98 WeakPolarHBondContact CA-O 3.44Å; S40-Y99 VanDerWaalsContact CB-CE1 3.49Å
41	C	98.5	Very high	96.9	Very high	0 Å²	0	61 Å²	61	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	106.1	174.7	178	0	0	0	0	109	Q24 Q25 W55 T97 A98 C115	Q24-C41 WeakPolarHBondContact O-CA 3.44Å; Q25-C41 HydrophobicContact CG-CB 4.17Å; C41-W55 HydrophobicContact CB-CH2 3.91Å; C41-W55 HydrophobicContact CB-CZ2 4.04Å; C41-T97 WeakPolarHBondContact O-CA 3.37Å; C41-A98 PolarHBondContact N-O 3.1Å; C41-A98 PolarHBondContact O-N 2.99Å; C41-C115 HydrophobicContact CB-CB 3.42Å; C41-C115 VanDerWaalsContact CB-CB 3.42Å; C41-C115 WeakPolarHBondContact CB-SG 3.24Å; C41-C115 WeakPolarHBondContact SG-CB 3.35Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 3.31Å
42	K	98.3	Very high	97.1	Very high	121 Å²	121	62 Å²	62	53%	0.526	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.7	179.4	-173.9	174	-176.7	177.4	0	110.1	L23 Q24	L23-K42 WeakPolarHBondContact CA-O 3.27Å; Q24-K42 PolarHBondContact N-O 3.22Å; Q24-K42 PolarHBondContact O-N 2.69Å
43	A	98.1	Very high	97.2	Very high	5 Å²	5	53.8 Å²	53.8	4%	0.041	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	140.7	-179.5	0	0	0	0	0	112.1	Q22 L23 Y46 F48 S96	Q22-A43 WeakPolarHBondContact O-CA 3.41Å; L23-A43 HydrophobicContact CD2-CB 3.8Å; A43-Y46 HydrophobicContact CB-CE1 3.64Å; A43-Y46 VanDerWaalsContact CB-OH 3.31Å; A43-Y46 WeakPolarHBondContact CB-OH 3.3Å; A43-F48 HydrophobicContact CB-CD2 3.43Å; A43-F48 VanDerWaalsContact CB-CD2 3.43Å; A43-F48 HydrophobicContact CB-CE2 3.85Å; A43-F48 HydrophobicContact CB-CG 4.34Å; A43-S96 PolarHBondContact N-O 2.88Å; A43-S96 WeakPolarHBondContact O-CB 3.2Å
44	S	97	Very high	97.3	Very high	54 Å²	54	50.3 Å²	50.3	38%	0.378	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	161.6	171.8	54.5	0	0	0	0	112.1	Q22 Y46	Q22-S44 PolarHBondContact N-O 3.25Å; Q22-S44 PolarHBondContact O-N 2.82Å; S44-Y46 WeakPolarHBondContact O-CD1 3.1Å
45	G	95.7	Very high	97.4	Very high	32 Å²	32	47.8 Å²	47.8	33%	0.33	26%	0.264	S	S	.	.	S	Bend	trans	83.1	10.9	179.4	0	0	0	0	0	115.2	Q20	Q20-G45 WeakPolarHBondContact O-CA 3.44Å
46	Y	94.6	Very high	97.5	Very high	41 Å²	41	47.2 Å²	47.2	16%	0.161	26%	0.257	C	S	.	.	S	Bend	trans	-159.1	167.1	173.6	70	-79.8	0	0	0	111.6	V21 L23 A43 S44 F48 Y51 R117	V21-Y46 HydrophobicContact CG1-CD1 4.07Å; V21-Y46 HydrophobicContact CG1-CE1 4.26Å; L23-Y46 HydrophobicContact CD2-CE1 4.19Å; A43-Y46 HydrophobicContact CB-CE1 3.64Å; A43-Y46 VanDerWaalsContact CB-OH 3.31Å; A43-Y46 WeakPolarHBondContact CB-OH 3.3Å; S44-Y46 WeakPolarHBondContact O-CD1 3.1Å; Y46-F48 HydrophobicContact CE2-CD2 4.48Å; Y46-F48 PolarHBondContact O-N 3.03Å; Y46-F48 VanDerWaalsContact O-N 3.12Å; Y46-Y51 AromaticContact CD2-CD2 3.52Å; Y46-Y51 HydrophobicContact CD2-CD2 3.52Å; Y46-Y51 HydrophobicContact CD2-CE2 4.06Å; Y46-Y51 HydrophobicContact CD2-CG 4.41Å; Y46-Y51 AromaticContact CE2-CD2 3.8Å; Y46-Y51 HydrophobicContact CE2-CD2 3.8Å; Y46-Y51 HydrophobicContact CE2-CG 4.3Å; Y46-R117 VanDerWaalsContact CD2-NH1 3.31Å
47	T	96	Very high	97.5	Very high	90 Å²	90	44.2 Å²	44.2	55%	0.552	24%	0.236	S	C	*	.			trans	-69.8	103.2	170.8	-54	0	0	0	0	109.5	T49 S50	T47-T49 PolarHBondContact O-N 2.87Å; T47-S50 WeakPolarHBondContact CB-OG 3.39Å; T47-S50 VanDerWaalsContact CG2-OG 3.24Å; T47-S50 WeakPolarHBondContact CG2-OG 3.19Å; T47-S50 WeakPolarHBondContact O-CB 3.47Å; T47-S50 PolarHBondContact O-N 3.29Å
48	F	97.1	Very high	97.5	Very high	8 Å²	8	46.8 Å²	46.8	4%	0.035	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-53.3	-40.5	-173.2	178.5	-123.7	0	0	0	113.3	A43 Y46 S50 M53 P72 V91 A98	A43-F48 HydrophobicContact CB-CD2 3.43Å; A43-F48 VanDerWaalsContact CB-CD2 3.43Å; A43-F48 HydrophobicContact CB-CE2 3.85Å; A43-F48 HydrophobicContact CB-CG 4.34Å; Y46-F48 HydrophobicContact CE2-CD2 4.48Å; Y46-F48 PolarHBondContact O-N 3.03Å; Y46-F48 VanDerWaalsContact O-N 3.12Å; F48-S50 PolarHBondContact O-N 2.86Å; F48-M53 HydrophobicContact CE2-CE 3.82Å; F48-P72 HydrophobicContact CD1-CB 3.85Å; F48-P72 HydrophobicContact CD1-CG 4.43Å; F48-P72 HydrophobicContact CD2-CG 4.45Å; F48-P72 HydrophobicContact CE1-CB 3.57Å; F48-P72 HydrophobicContact CE1-CG 4.07Å; F48-P72 HydrophobicContact CE2-CB 4.46Å; F48-P72 HydrophobicContact CE2-CG 4.08Å; F48-P72 HydrophobicContact CG-CB 4.44Å; F48-P72 HydrophobicContact CZ-CB 3.91Å; F48-P72 HydrophobicContact CZ-CG 3.87Å; F48-V91 HydrophobicContact CE1-CB 4.45Å; F48-V91 HydrophobicContact CE1-CG1 4.39Å; F48-V91 HydrophobicContact CZ-CG1 4.21Å; F48-A98 HydrophobicContact CZ-CB 4.16Å
49	T	97.8	Very high	97.4	Very high	61 Å²	61	44 Å²	44	37%	0.374	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-75.1	0.1	179.8	58.8	0	0	0	0	114.7	T47 T93	T47-T49 PolarHBondContact O-N 2.87Å; T49-T93 HydrophobicContact CG2-CG2 4.06Å
50	S	96.9	Very high	97.2	Very high	76 Å²	76	48.4 Å²	48.4	53%	0.531	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-94.6	-3.6	178.8	-58.9	0	0	0	0	113.8	T47 F48	T47-S50 WeakPolarHBondContact CB-OG 3.39Å; T47-S50 VanDerWaalsContact CG2-OG 3.24Å; T47-S50 WeakPolarHBondContact CG2-OG 3.19Å; T47-S50 WeakPolarHBondContact O-CB 3.47Å; T47-S50 PolarHBondContact O-N 3.29Å; F48-S50 PolarHBondContact O-N 2.86Å
51	Y	96.8	Very high	97.1	Very high	106 Å²	106	51.1 Å²	51.1	42%	0.416	30%	0.296	S	S	.	.	S	Bend	trans	-139.9	143.7	-178	-65	-92.4	0	0	0	110.8	Y46 P72	Y46-Y51 AromaticContact CD2-CD2 3.52Å; Y46-Y51 HydrophobicContact CD2-CD2 3.52Å; Y46-Y51 HydrophobicContact CD2-CE2 4.06Å; Y46-Y51 HydrophobicContact CD2-CG 4.41Å; Y46-Y51 AromaticContact CE2-CD2 3.8Å; Y46-Y51 HydrophobicContact CE2-CD2 3.8Å; Y46-Y51 HydrophobicContact CE2-CG 4.3Å; Y51-P72 WeakPolarHBondContact O-CD 3.25Å; Y51-P72 WeakPolarHBondContact O-CG 3.36Å
52	W	98.1	Very high	96.8	Very high	87 Å²	87	56.2 Å²	56.2	33%	0.33	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-69.4	142.3	173.4	-71.2	59.1	0	0	0	110	E69 D71 Y76	W52-E69 HydrophobicContact CE3-CB 4Å; W52-E69 HydrophobicContact CE3-CG 3.54Å; W52-E69 HydrophobicContact CZ3-CG 3.69Å; W52-D71 HydrophobicContact CD2-CB 3.87Å; W52-D71 HydrophobicContact CE3-CB 4.06Å; W52-D71 HydrophobicContact CG-CB 4.5Å; W52-D71 HydrophobicContact CH2-CB 4.08Å; W52-D71 HydrophobicContact CZ2-CB 3.8Å; W52-D71 HydrophobicContact CZ3-CB 4.17Å; W52-D71 PolarHBondContact NE1-OD2 2.8Å; W52-D71 VanDerWaalsContact NE1-OD2 3.11Å; W52-Y76 AromaticContact CH2-CD1 3.29Å; W52-Y76 HydrophobicContact CH2-CD1 3.29Å; W52-Y76 AromaticContact CH2-CE1 3.66Å; W52-Y76 HydrophobicContact CH2-CE1 3.66Å; W52-Y76 HydrophobicContact CH2-CG 4.36Å; W52-Y76 HydrophobicContact CZ2-CD1 4.4Å; W52-Y76 AromaticContact CZ3-CD1 3.62Å; W52-Y76 HydrophobicContact CZ3-CD1 3.62Å; W52-Y76 AromaticContact CZ3-CE1 3.98Å; W52-Y76 HydrophobicContact CZ3-CE1 3.98Å
53	M	98.5	Very high	96.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	117.8	171.4	-174.8	62.7	60.3	0	0	110	L23 F48 E69 I70 A98 C115	L23-M53 HydrophobicContact CD1-SD 4.48Å; L23-M53 HydrophobicContact CD2-CE 3.83Å; F48-M53 HydrophobicContact CE2-CE 3.82Å; M53-E69 CarbonylContact O-C 3.47Å; M53-E69 WeakPolarHBondContact O-CA 3.47Å; M53-I70 HydrophobicContact CB-CG2 3.89Å; M53-I70 PolarHBondContact N-O 3.48Å; M53-I70 PolarHBondContact O-N 3.29Å; M53-A98 HydrophobicContact CB-CB 4.07Å; M53-A98 HydrophobicContact CE-CB 4.47Å; M53-A98 HydrophobicContact CG-CB 3.57Å; M53-C115 HydrophobicContact SD-CB 3.72Å
54	Q	98.5	Very high	96.6	Very high	42 Å²	42	58.7 Å²	58.7	20%	0.196	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	142.1	178.6	-55.8	-65.4	-41.2	0	0	110.3	E69 C115 A116	Q54-E69 VanDerWaalsContact NE2-CB 3.31Å; Q54-E69 PolarHBondContact NE2-OE2 2.92Å; Q54-E69 PolarHBondContact OE1-OE2 2.93Å; Q54-C115 CarbonylContact O-C 3.54Å; Q54-C115 VanDerWaalsContact O-CA 3.29Å; Q54-C115 WeakPolarHBondContact O-CA 3.23Å; Q54-A116 HydrophobicContact CB-CB 4.21Å; Q54-A116 WeakPolarHBondContact CB-O 3.33Å; Q54-A116 PolarHBondContact N-O 3.43Å; Q54-A116 PolarHBondContact O-N 3.41Å
55	W	98.7	Very high	96.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129.9	171.7	-71	89.8	0	0	0	110.9	L39 C41 I67 G68 L89 A98 M100 Y114 C115	L39-W55 HydrophobicContact CB-CH2 4.03Å; L39-W55 HydrophobicContact CB-CZ3 3.96Å; L39-W55 HydrophobicContact CD1-CZ3 4.37Å; C41-W55 HydrophobicContact CB-CH2 3.91Å; C41-W55 HydrophobicContact CB-CZ2 4.04Å; W55-I67 HydrophobicContact CB-CB 4.17Å; W55-I67 HydrophobicContact CB-CD1 4.35Å; W55-I67 WeakPolarHBondContact O-CB 3.49Å; W55-I67 PolarHBondContact O-N 3.2Å; W55-G68 PolarHBondContact N-O 2.9Å; W55-L89 HydrophobicContact CG-CD2 4.02Å; W55-A98 HydrophobicContact CZ2-CB 4.33Å; W55-M100 HydrophobicContact CB-SD 3.92Å; W55-M100 HydrophobicContact CD2-CB 3.64Å; W55-M100 HydrophobicContact CD2-CE 4.22Å; W55-M100 HydrophobicContact CD2-CG 4.41Å; W55-M100 HydrophobicContact CD2-SD 4.04Å; W55-M100 HydrophobicContact CE3-CB 3.84Å; W55-M100 HydrophobicContact CE3-CE 3.61Å; W55-M100 HydrophobicContact CE3-SD 4.05Å; W55-M100 HydrophobicContact CG-CB 4.21Å; W55-M100 HydrophobicContact CG-SD 4.01Å; W55-M100 HydrophobicContact CH2-CB 3.97Å; W55-M100 HydrophobicContact CZ2-CB 3.8Å; W55-M100 HydrophobicContact CZ3-CB 4Å; W55-M100 HydrophobicContact CZ3-CE 4.1Å; W55-Y114 WeakPolarHBondContact CA-O 3.48Å; W55-C115 HydrophobicContact CD2-CB 4.47Å; W55-C115 HydrophobicContact CE3-CB 4.3Å; W55-C115 HydrophobicContact CH2-CB 4.29Å; W55-C115 HydrophobicContact CZ2-CB 4.43Å; W55-C115 HydrophobicContact CZ3-CB 4.22Å
56	V	98.3	Very high	96.7	Very high	25 Å²	25	59.7 Å²	59.7	15%	0.152	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	136.6	-174.4	-177.7	0	0	0	0	110.3	L64 Y113 Y114	V56-L64 HydrophobicContact CG1-CB 3.78Å; V56-L64 HydrophobicContact CG1-CD2 3.78Å; V56-L64 HydrophobicContact CG1-CG 4.26Å; V56-Y113 WeakPolarHBondContact O-CA 3.36Å; V56-Y114 PolarHBondContact N-O 3.43Å; V56-Y114 PolarHBondContact O-N 3.45Å
57	K	97.5	Very high	96.9	Very high	1 Å²	1	57.8 Å²	57.8	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	138.8	175.6	-175	178.3	-178.6	176.4	0	110.5	E65 I67 F83 E108 D109 A111 Y113	K57-E65 HydrophobicContact CB-CB 4.44Å; K57-E65 PolarHBondContact N-O 2.61Å; K57-E65 PolarHBondContact O-N 3.27Å; K57-I67 HydrophobicContact CB-CD1 3.99Å; K57-I67 HydrophobicContact CB-CG1 4.11Å; K57-F83 HydrophobicContact CD-CE1 4.04Å; K57-F83 HydrophobicContact CD-CZ 3.89Å; K57-E108 WeakPolarHBondContact CE-O 3.2Å; K57-E108 PolarHBondContact NZ-O 2.98Å; K57-D109 IonicContact NZ-OD1 3.22Å; K57-D109 PolarHBondContact NZ-OD1 2.95Å; K57-A111 HydrophobicContact CD-CB 4.17Å; K57-A111 HydrophobicContact CG-CB 3.53Å; K57-Y113 HydrophobicContact CB-CD1 4.19Å; K57-Y113 HydrophobicContact CB-CE1 3.96Å; K57-Y113 HydrophobicContact CD-CE1 3.92Å; K57-Y113 WeakPolarHBondContact CE-OH 3.47Å; K57-Y113 HydrophobicContact CG-CD1 4.26Å; K57-Y113 HydrophobicContact CG-CE1 3.71Å
58	Q	97.5	Very high	97	Very high	69 Å²	69	53.5 Å²	53.5	32%	0.322	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	114.1	169.6	-166.6	-177.9	25.2	0	0	110.7	L64 A111 V112 Y114	Q58-L64 HydrophobicContact CB-CD2 3.87Å; Q58-L64 HydrophobicContact CG-CD2 4.03Å; Q58-A111 CarbonylContact O-C 3.57Å; Q58-A111 WeakPolarHBondContact O-CA 3.08Å; Q58-A111 VanDerWaalsContact O-CB 3.25Å; Q58-A111 WeakPolarHBondContact O-CB 3.32Å; Q58-V112 PolarHBondContact N-O 3Å; Q58-V112 PolarHBondContact O-N 3.01Å; Q58-Y114 HydrophobicContact CB-CD2 4.47Å; Q58-Y114 HydrophobicContact CB-CE2 3.91Å; Q58-Y114 PolarHBondContact OE1-OH 3.47Å
59	R	95.2	Very high	97.1	Very high	51 Å²	51	54.9 Å²	54.9	19%	0.192	31%	0.311	C	S	.	.			trans	-86.8	150.8	171.7	-61.2	-174.2	-169.7	84.4	-1.5	110.3	G61 Q62 E65 E108 A111	R59-G61 PolarHBondContact O-N 3.32Å; R59-Q62 HydrophobicContact CB-CB 4.04Å; R59-Q62 HydrophobicContact CB-CG 4.05Å; R59-Q62 PolarHBondContact O-N 2.8Å; R59-E65 IonicContact CZ-OE2 3.58Å; R59-E65 IonicContact NH1-OE2 2.88Å; R59-E65 PolarHBondContact NH1-OE2 2.88Å; R59-E65 IonicContact NH2-OE2 3.43Å; R59-E65 PolarHBondContact NH2-OE2 3.19Å; R59-E108 PolarHBondContact NE-O 2.63Å; R59-A111 HydrophobicContact CG-CB 4.14Å
60	P	94.2	Very high	97.1	Very high	113 Å²	113	52 Å²	52	73%	0.734	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	126	172.9	-25.4	34.6	0	0	0	111.5	Q62	P60-Q62 PolarHBondContact O-N 2.8Å
61	G	94.9	Very high	97.2	Very high	92 Å²	92	49.4 Å²	49.4	95%	0.948	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	7.1	-180	0	0	0	0	0	115.8	R59	R59-G61 PolarHBondContact O-N 3.32Å
62	Q	93.9	Very high	97.3	Very high	106 Å²	106	44.4 Å²	44.4	50%	0.495	25%	0.254	S	S	.	.	S	Bend	trans	-116.6	163.5	176.1	-56.8	-174.2	17.1	0	0	111.6	R59 P60	R59-Q62 HydrophobicContact CB-CB 4.04Å; R59-Q62 HydrophobicContact CB-CG 4.05Å; R59-Q62 PolarHBondContact O-N 2.8Å; P60-Q62 PolarHBondContact O-N 2.8Å
63	G	93.6	Very high	97.3	Very high	58 Å²	58	43.8 Å²	43.8	60%	0.598	26%	0.263	S	S	*	.			trans	-68.4	176	173.6	0	0	0	0	0	113.4
64	L	96.9	Very high	97.2	Very high	121 Å²	121	48.8 Å²	48.8	63%	0.634	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	133.2	171.7	-65.8	171.6	0	0	0	110	V56 Q58 Y114	V56-L64 HydrophobicContact CG1-CB 3.78Å; V56-L64 HydrophobicContact CG1-CD2 3.78Å; V56-L64 HydrophobicContact CG1-CG 4.26Å; Q58-L64 HydrophobicContact CB-CD2 3.87Å; Q58-L64 HydrophobicContact CG-CD2 4.03Å; L64-Y114 HydrophobicContact CD2-CD2 4.49Å
65	E	97.7	Very high	97.2	Very high	27 Å²	27	50 Å²	50	13%	0.126	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.6	177.1	-172.5	170.4	-147.1	0	0	109	K57 R59 K82 F83	K57-E65 HydrophobicContact CB-CB 4.44Å; K57-E65 PolarHBondContact N-O 2.61Å; K57-E65 PolarHBondContact O-N 3.27Å; R59-E65 IonicContact CZ-OE2 3.58Å; R59-E65 IonicContact NH1-OE2 2.88Å; R59-E65 PolarHBondContact NH1-OE2 2.88Å; R59-E65 IonicContact NH2-OE2 3.43Å; R59-E65 PolarHBondContact NH2-OE2 3.19Å; E65-K82 WeakPolarHBondContact OE1-CD 3.46Å; E65-K82 IonicContact OE1-NZ 2.78Å; E65-K82 PolarHBondContact OE1-NZ 2.95Å; E65-F83 HydrophobicContact CG-CE2 3.85Å; E65-F83 HydrophobicContact CG-CZ 4.21Å
66	W	98.1	Very high	97.2	Very high	80 Å²	80	56 Å²	56	30%	0.303	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	130.8	177.6	-178.1	79.6	0	0	0	110.6	G68 E69 Y79 N80	W66-G68 VanDerWaalsContact CZ2-C 3.43Å; W66-G68 PolarHBondContact NE1-O 3.35Å; W66-E69 HydrophobicContact CH2-CG 4.46Å; W66-E69 HydrophobicContact CZ2-CB 3.97Å; W66-E69 HydrophobicContact CZ2-CG 3.75Å; W66-Y79 VanDerWaalsContact CZ3-C 3.46Å; W66-N80 HydrophobicContact CE3-CB 3.7Å; W66-N80 HydrophobicContact CZ3-CB 3.94Å; W66-N80 WeakPolarHBondContact O-CB 2.99Å; W66-N80 PolarHBondContact O-ND2 3.46Å
67	I	98.4	Very high	97.2	Very high	0 Å²	0	57 Å²	57	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-48.1	-178	-59.7	174.6	0	0	0	110.2	W55 K57 N80 F83 A87 M100 Y113	W55-I67 HydrophobicContact CB-CB 4.17Å; W55-I67 HydrophobicContact CB-CD1 4.35Å; W55-I67 WeakPolarHBondContact O-CB 3.49Å; W55-I67 PolarHBondContact O-N 3.2Å; K57-I67 HydrophobicContact CB-CD1 3.99Å; K57-I67 HydrophobicContact CB-CG1 4.11Å; I67-N80 WeakPolarHBondContact O-CB 2.98Å; I67-N80 PolarHBondContact O-N 2.82Å; I67-F83 HydrophobicContact CB-CD2 4.35Å; I67-F83 HydrophobicContact CB-CG 4.28Å; I67-F83 HydrophobicContact CG1-CD1 4.21Å; I67-F83 HydrophobicContact CG1-CD2 4.34Å; I67-F83 HydrophobicContact CG1-CE1 4.04Å; I67-F83 HydrophobicContact CG1-CE2 4.18Å; I67-F83 HydrophobicContact CG1-CG 4.35Å; I67-F83 HydrophobicContact CG1-CZ 4.02Å; I67-F83 HydrophobicContact CG2-CB 3.8Å; I67-F83 HydrophobicContact CG2-CD1 3.92Å; I67-F83 HydrophobicContact CG2-CD2 4.29Å; I67-F83 HydrophobicContact CG2-CG 3.74Å; I67-A87 HydrophobicContact CG2-CB 3.78Å; I67-M100 HydrophobicContact CB-SD 4.49Å; I67-M100 HydrophobicContact CD1-CE 3.82Å; I67-M100 HydrophobicContact CD1-SD 3.61Å; I67-M100 HydrophobicContact CG2-SD 3.84Å; I67-Y113 HydrophobicContact CD1-CD1 3.67Å; I67-Y113 HydrophobicContact CD1-CE1 3.81Å
68	G	98.5	Very high	97.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168	177.3	-171.2	0	0	0	0	0	111.8	W55 W66 N78	W55-G68 PolarHBondContact N-O 2.9Å; W66-G68 VanDerWaalsContact CZ2-C 3.43Å; W66-G68 PolarHBondContact NE1-O 3.35Å; G68-N78 CarbonylContact C-O 3.56Å; G68-N78 WeakPolarHBondContact CA-O 3.46Å
69	E	98.6	Very high	97.3	Very high	38 Å²	38	59.1 Å²	59.1	18%	0.178	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	153.5	179.7	64	-169.5	169.1	0	0	110.6	W52 M53 Q54 W66 T77 N78 L89	W52-E69 HydrophobicContact CE3-CB 4Å; W52-E69 HydrophobicContact CE3-CG 3.54Å; W52-E69 HydrophobicContact CZ3-CG 3.69Å; M53-E69 CarbonylContact O-C 3.47Å; M53-E69 WeakPolarHBondContact O-CA 3.47Å; Q54-E69 VanDerWaalsContact NE2-CB 3.31Å; Q54-E69 PolarHBondContact NE2-OE2 2.92Å; Q54-E69 PolarHBondContact OE1-OE2 2.93Å; W66-E69 HydrophobicContact CH2-CG 4.46Å; W66-E69 HydrophobicContact CZ2-CB 3.97Å; W66-E69 HydrophobicContact CZ2-CG 3.75Å; E69-T77 WeakPolarHBondContact O-CA 3.24Å; E69-N78 HydrophobicContact CG-CB 3.84Å; E69-N78 PolarHBondContact N-O 2.92Å; E69-N78 PolarHBondContact O-N 2.86Å; E69-N78 PolarHBondContact OE1-ND2 2.84Å; E69-N78 VanDerWaalsContact OE1-ND2 3.1Å; E69-L89 WeakPolarHBondContact O-CD1 3.16Å
70	I	98.7	Very high	97.4	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.9	173.6	-175.4	160.1	0	0	0	109.7	M53 P72 Y76 T77 L89 V91	M53-I70 HydrophobicContact CB-CG2 3.89Å; M53-I70 PolarHBondContact N-O 3.48Å; M53-I70 PolarHBondContact O-N 3.29Å; I70-P72 WeakPolarHBondContact O-CD 3.36Å; I70-Y76 CarbonylContact C-O 3.59Å; I70-Y76 VanDerWaalsContact CA-O 3.31Å; I70-Y76 WeakPolarHBondContact CA-O 3.49Å; I70-T77 HydrophobicContact CB-CG2 4.05Å; I70-T77 HydrophobicContact CD1-CG2 3.65Å; I70-T77 HydrophobicContact CG1-CG2 3.8Å; I70-L89 HydrophobicContact CB-CB 4.07Å; I70-L89 HydrophobicContact CB-CD1 4.32Å; I70-L89 HydrophobicContact CD1-CB 4.13Å; I70-L89 HydrophobicContact CG2-CB 4.32Å; I70-V91 HydrophobicContact CD1-CB 4.44Å; I70-V91 HydrophobicContact CD1-CG1 3.8Å; I70-V91 HydrophobicContact CD1-CG2 4.16Å; I70-V91 HydrophobicContact CG1-CG1 3.96Å; I70-V91 HydrophobicContact CG2-CG1 3.86Å
71	D	98.5	Very high	97.5	Very high	21 Å²	21	60.1 Å²	60.1	11%	0.112	34%	0.341	C	S	.	.			trans	-81.4	114.8	169.1	-169.4	-32.8	0	0	0	108.6	W52 S73 D74 S75 Y76	W52-D71 HydrophobicContact CD2-CB 3.87Å; W52-D71 HydrophobicContact CE3-CB 4.06Å; W52-D71 HydrophobicContact CG-CB 4.5Å; W52-D71 HydrophobicContact CH2-CB 4.08Å; W52-D71 HydrophobicContact CZ2-CB 3.8Å; W52-D71 HydrophobicContact CZ3-CB 4.17Å; W52-D71 PolarHBondContact NE1-OD2 2.8Å; W52-D71 VanDerWaalsContact NE1-OD2 3.11Å; D71-S73 PolarHBondContact O-N 2.91Å; D71-S73 VanDerWaalsContact OD1-CB 3.23Å; D71-S73 WeakPolarHBondContact OD1-CB 3.49Å; D71-S73 PolarHBondContact OD1-N 3.43Å; D71-S73 PolarHBondContact OD1-OG 2.88Å; D71-S73 PolarHBondContact OD2-OG 2.86Å; D71-D74 WeakPolarHBondContact CB-OD1 3.47Å; D71-S75 WeakPolarHBondContact O-CA 3.41Å; D71-S75 PolarHBondContact O-N 2.9Å; D71-Y76 PolarHBondContact N-O 2.95Å
72	P	98.4	Very high	97.6	Very high	1 Å²	1	63 Å²	63	1%	0.006	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-11.9	-179.8	-15.8	30.9	0	0	0	114.1	F48 Y51 I70 V91 T93	F48-P72 HydrophobicContact CD1-CB 3.85Å; F48-P72 HydrophobicContact CD1-CG 4.43Å; F48-P72 HydrophobicContact CD2-CG 4.45Å; F48-P72 HydrophobicContact CE1-CB 3.57Å; F48-P72 HydrophobicContact CE1-CG 4.07Å; F48-P72 HydrophobicContact CE2-CB 4.46Å; F48-P72 HydrophobicContact CE2-CG 4.08Å; F48-P72 HydrophobicContact CG-CB 4.44Å; F48-P72 HydrophobicContact CZ-CB 3.91Å; F48-P72 HydrophobicContact CZ-CG 3.87Å; Y51-P72 WeakPolarHBondContact O-CD 3.25Å; Y51-P72 WeakPolarHBondContact O-CG 3.36Å; I70-P72 WeakPolarHBondContact O-CD 3.36Å; P72-V91 HydrophobicContact CB-CG1 4.07Å; P72-V91 HydrophobicContact CG-CG1 4.32Å; P72-T93 WeakPolarHBondContact O-CG2 3.46Å
73	S	98.1	Very high	97.7	Very high	74 Å²	74	58.2 Å²	58.2	52%	0.517	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-39.3	180	71.3	0	0	0	0	113	D71	D71-S73 PolarHBondContact O-N 2.91Å; D71-S73 VanDerWaalsContact OD1-CB 3.23Å; D71-S73 WeakPolarHBondContact OD1-CB 3.49Å; D71-S73 PolarHBondContact OD1-N 3.43Å; D71-S73 PolarHBondContact OD1-OG 2.88Å; D71-S73 PolarHBondContact OD2-OG 2.86Å
74	D	97.7	Very high	97.8	Very high	104 Å²	104	62.1 Å²	62.1	56%	0.556	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.5	2.5	-176.4	68.4	3.4	0	0	0	113.9	D71 Y76	D71-D74 WeakPolarHBondContact CB-OD1 3.47Å; D74-Y76 PolarHBondContact O-N 2.89Å; D74-Y76 WeakPolarHBondContact OD1-CB 3.37Å; D74-Y76 PolarHBondContact OD1-N 3.33Å
75	S	97.7	Very high	97.7	Very high	67 Å²	67	60 Å²	60	47%	0.469	31%	0.312	S	S	.	.			trans	62.5	19.1	-176.5	-52.2	0	0	0	0	114.5	D71 T77 V91	D71-S75 WeakPolarHBondContact O-CA 3.41Å; D71-S75 PolarHBondContact O-N 2.9Å; S75-T77 PolarHBondContact O-N 2.02Å; S75-V91 WeakPolarHBondContact OG-CG2 3.49Å
76	Y	98.5	Very high	97.7	Very high	128 Å²	128	60.9 Å²	60.9	50%	0.502	32%	0.316	S	S	.	.			trans	-62.3	134.8	172.2	176.5	-87.7	0	0	0	110.2	W52 I70 D71 D74 N78	W52-Y76 AromaticContact CH2-CD1 3.29Å; W52-Y76 HydrophobicContact CH2-CD1 3.29Å; W52-Y76 AromaticContact CH2-CE1 3.66Å; W52-Y76 HydrophobicContact CH2-CE1 3.66Å; W52-Y76 HydrophobicContact CH2-CG 4.36Å; W52-Y76 HydrophobicContact CZ2-CD1 4.4Å; W52-Y76 AromaticContact CZ3-CD1 3.62Å; W52-Y76 HydrophobicContact CZ3-CD1 3.62Å; W52-Y76 AromaticContact CZ3-CE1 3.98Å; W52-Y76 HydrophobicContact CZ3-CE1 3.98Å; I70-Y76 CarbonylContact C-O 3.59Å; I70-Y76 VanDerWaalsContact CA-O 3.31Å; I70-Y76 WeakPolarHBondContact CA-O 3.49Å; D71-Y76 PolarHBondContact N-O 2.95Å; D74-Y76 PolarHBondContact O-N 2.89Å; D74-Y76 WeakPolarHBondContact OD1-CB 3.37Å; D74-Y76 PolarHBondContact OD1-N 3.33Å; Y76-N78 HydrophobicContact CE1-CB 4.1Å
77	T	98.6	Very high	97.7	Very high	46 Å²	46	57.2 Å²	57.2	28%	0.282	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	140.7	-178.8	58.1	0	0	0	0	111.9	E69 I70 S75 Y79 L89	E69-T77 WeakPolarHBondContact O-CA 3.24Å; I70-T77 HydrophobicContact CB-CG2 4.05Å; I70-T77 HydrophobicContact CD1-CG2 3.65Å; I70-T77 HydrophobicContact CG1-CG2 3.8Å; S75-T77 PolarHBondContact O-N 2.02Å; T77-Y79 HydrophobicContact CG2-CE2 4.44Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.36Å; T77-L89 HydrophobicContact CG2-CB 4.01Å
78	N	98.1	Very high	97.7	Very high	66 Å²	66	60.3 Å²	60.3	35%	0.353	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.3	169.8	-178	25.8	0	0	0	109.6	G68 E69 Y76	G68-N78 CarbonylContact C-O 3.56Å; G68-N78 WeakPolarHBondContact CA-O 3.46Å; E69-N78 HydrophobicContact CG-CB 3.84Å; E69-N78 PolarHBondContact N-O 2.92Å; E69-N78 PolarHBondContact O-N 2.86Å; E69-N78 PolarHBondContact OE1-ND2 2.84Å; E69-N78 VanDerWaalsContact OE1-ND2 3.1Å; Y76-N78 HydrophobicContact CE1-CB 4.1Å
79	Y	98.5	Very high	97.7	Very high	48 Å²	48	60.7 Å²	60.7	19%	0.188	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.7	-171.3	-65.4	-92.3	0	0	0	111.4	W66 T77 A87 L89	W66-Y79 VanDerWaalsContact CZ3-C 3.46Å; T77-Y79 HydrophobicContact CG2-CE2 4.44Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.36Å; Y79-A87 HydrophobicContact CD1-CB 4.43Å; Y79-A87 HydrophobicContact CE1-CB 4.21Å; Y79-A87 WeakPolarHBondContact CE1-O 3.37Å; Y79-L89 HydrophobicContact CE1-CD1 4.09Å; Y79-L89 HydrophobicContact CE1-CG 3.69Å; Y79-L89 PolarHBondContact OH-N 2.8Å
80	N	97.6	Very high	97.7	Very high	40 Å²	40	61.6 Å²	61.6	21%	0.214	33%	0.332	C	S	.	.			trans	-66.2	134.2	157.8	-177.3	-30.6	0	0	0	108.7	W66 I67 K82 F83 K84	W66-N80 HydrophobicContact CE3-CB 3.7Å; W66-N80 HydrophobicContact CZ3-CB 3.94Å; W66-N80 WeakPolarHBondContact O-CB 2.99Å; W66-N80 PolarHBondContact O-ND2 3.46Å; I67-N80 WeakPolarHBondContact O-CB 2.98Å; I67-N80 PolarHBondContact O-N 2.82Å; N80-K82 PolarHBondContact O-N 2.83Å; N80-K82 PolarHBondContact OD1-N 3.03Å; N80-F83 HydrophobicContact CB-CD2 4.03Å; N80-F83 PolarHBondContact O-N 3.23Å; N80-K84 PolarHBondContact O-N 2.96Å
81	Q	97.3	Very high	97.7	Very high	144 Å²	144	63 Å²	63	67%	0.673	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-30.2	-176.8	-162.4	66.2	-5.6	0	0	113.5	F83 K84	Q81-F83 VanDerWaalsContact C-N 3.26Å; Q81-F83 PolarHBondContact O-N 3.27Å; Q81-K84 PolarHBondContact O-N 3.46Å
82	K	95.6	Very high	97.6	Very high	153 Å²	153	64.6 Å²	64.6	67%	0.665	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.8	175.8	-67.2	-176.7	-175.4	178.9	0	114.2	E65 N80	E65-K82 WeakPolarHBondContact OE1-CD 3.46Å; E65-K82 IonicContact OE1-NZ 2.78Å; E65-K82 PolarHBondContact OE1-NZ 2.95Å; N80-K82 PolarHBondContact O-N 2.83Å; N80-K82 PolarHBondContact OD1-N 3.03Å
83	F	97	Very high	97.6	Very high	6 Å²	6	68.2 Å²	68.2	3%	0.026	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-6.6	-177.2	-65.2	-89.2	0	0	0	112.7	K57 E65 I67 N80 Q81 G85 K86 A87	K57-F83 HydrophobicContact CD-CE1 4.04Å; K57-F83 HydrophobicContact CD-CZ 3.89Å; E65-F83 HydrophobicContact CG-CE2 3.85Å; E65-F83 HydrophobicContact CG-CZ 4.21Å; I67-F83 HydrophobicContact CB-CD2 4.35Å; I67-F83 HydrophobicContact CB-CG 4.28Å; I67-F83 HydrophobicContact CG1-CD1 4.21Å; I67-F83 HydrophobicContact CG1-CD2 4.34Å; I67-F83 HydrophobicContact CG1-CE1 4.04Å; I67-F83 HydrophobicContact CG1-CE2 4.18Å; I67-F83 HydrophobicContact CG1-CG 4.35Å; I67-F83 HydrophobicContact CG1-CZ 4.02Å; I67-F83 HydrophobicContact CG2-CB 3.8Å; I67-F83 HydrophobicContact CG2-CD1 3.92Å; I67-F83 HydrophobicContact CG2-CD2 4.29Å; I67-F83 HydrophobicContact CG2-CG 3.74Å; N80-F83 HydrophobicContact CB-CD2 4.03Å; N80-F83 PolarHBondContact O-N 3.23Å; Q81-F83 VanDerWaalsContact C-N 3.26Å; Q81-F83 PolarHBondContact O-N 3.27Å; F83-G85 PolarHBondContact O-N 3.07Å; F83-K86 PolarHBondContact O-N 2.87Å; F83-A87 HydrophobicContact CB-CB 4.15Å; F83-A87 PolarHBondContact O-N 2.88Å
84	K	95.4	Very high	97.6	Very high	140 Å²	140	69.8 Å²	69.8	61%	0.609	38%	0.382	S	S	*	.	B	Isolated β-bridge	trans	-59.1	121.6	175.1	-166.9	170.3	-173.8	171.2	0	109.7	N80 Q81 K86	N80-K84 PolarHBondContact O-N 2.96Å; Q81-K84 PolarHBondContact O-N 3.46Å; K84-K86 VanDerWaalsContact C-N 3.28Å; K84-K86 PolarHBondContact O-N 3.03Å
85	G	95	Very high	97.6	Very high	75 Å²	75	66.6 Å²	66.6	77%	0.773	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-15.2	-175.4	0	0	0	0	0	115	F83	F83-G85 PolarHBondContact O-N 3.07Å
86	K	97	Very high	97.6	Very high	46 Å²	46	65.1 Å²	65.1	20%	0.2	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-42.4	173	-169.5	168.5	-167.7	171.6	0	112.2	F83 K84 L102 S103 D109	F83-K86 PolarHBondContact O-N 2.87Å; K84-K86 VanDerWaalsContact C-N 3.28Å; K84-K86 PolarHBondContact O-N 3.03Å; K86-L102 WeakPolarHBondContact O-CA 3.48Å; K86-S103 PolarHBondContact O-N 2.74Å; K86-D109 WeakPolarHBondContact CE-OD1 3.46Å; K86-D109 WeakPolarHBondContact CE-OD2 3.43Å; K86-D109 IonicContact NZ-OD1 2.86Å; K86-D109 PolarHBondContact NZ-OD1 3.49Å; K86-D109 IonicContact NZ-OD2 2.57Å; K86-D109 PolarHBondContact NZ-OD2 3.12Å
87	A	98.2	Very high	97.6	Very high	3 Å²	3	59.5 Å²	59.5	3%	0.025	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	143.9	175.5	0	0	0	0	0	110.9	I67 Y79 F83 M100 Q101 L102	I67-A87 HydrophobicContact CG2-CB 3.78Å; Y79-A87 HydrophobicContact CD1-CB 4.43Å; Y79-A87 HydrophobicContact CE1-CB 4.21Å; Y79-A87 WeakPolarHBondContact CE1-O 3.37Å; F83-A87 HydrophobicContact CB-CB 4.15Å; F83-A87 PolarHBondContact O-N 2.88Å; A87-M100 HydrophobicContact CB-CG 4.48Å; A87-M100 HydrophobicContact CB-SD 4.49Å; A87-Q101 CarbonylContact C-O 3.54Å; A87-Q101 VanDerWaalsContact CA-O 3.3Å; A87-Q101 WeakPolarHBondContact CA-O 3.31Å; A87-L102 HydrophobicContact CB-CD2 3.79Å
88	T	98.5	Very high	97.6	Very high	66 Å²	66	57.3 Å²	57.3	41%	0.405	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	119.8	168.9	-58.4	0	0	0	0	108.4	T90 M100 Q101	T88-T90 HydrophobicContact CG2-CG2 4.45Å; T88-M100 WeakPolarHBondContact O-CA 3.33Å; T88-Q101 PolarHBondContact N-O 3.23Å; T88-Q101 PolarHBondContact O-N 3.18Å
89	L	98.7	Very high	97.6	Very high	8 Å²	8	56.7 Å²	56.7	4%	0.042	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	136	179.3	-52.9	-176.4	0	0	0	110	W55 E69 I70 T77 Y79 Y99 M100	W55-L89 HydrophobicContact CG-CD2 4.02Å; E69-L89 WeakPolarHBondContact O-CD1 3.16Å; I70-L89 HydrophobicContact CB-CB 4.07Å; I70-L89 HydrophobicContact CB-CD1 4.32Å; I70-L89 HydrophobicContact CD1-CB 4.13Å; I70-L89 HydrophobicContact CG2-CB 4.32Å; T77-L89 HydrophobicContact CG2-CB 4.01Å; Y79-L89 HydrophobicContact CE1-CD1 4.09Å; Y79-L89 HydrophobicContact CE1-CG 3.69Å; Y79-L89 PolarHBondContact OH-N 2.8Å; L89-Y99 WeakPolarHBondContact CA-O 3.18Å; L89-M100 HydrophobicContact CD2-CB 3.7Å; L89-M100 HydrophobicContact CD2-CG 3.63Å; L89-M100 HydrophobicContact CD2-SD 4.15Å
90	T	98.5	Very high	97.6	Very high	57 Å²	57	54.4 Å²	54.4	35%	0.35	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	160.8	175.6	55.5	0	0	0	0	110.3	T88 Y99	T88-T90 HydrophobicContact CG2-CG2 4.45Å; T90-Y99 PolarHBondContact N-O 3.49Å; T90-Y99 PolarHBondContact O-N 2.9Å
91	V	98.4	Very high	97.6	Very high	29 Å²	29	56.2 Å²	56.2	18%	0.176	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	145	177.1	-72.9	0	0	0	0	110.8	F48 I70 P72 S75 A98	F48-V91 HydrophobicContact CE1-CB 4.45Å; F48-V91 HydrophobicContact CE1-CG1 4.39Å; F48-V91 HydrophobicContact CZ-CG1 4.21Å; I70-V91 HydrophobicContact CD1-CB 4.44Å; I70-V91 HydrophobicContact CD1-CG1 3.8Å; I70-V91 HydrophobicContact CD1-CG2 4.16Å; I70-V91 HydrophobicContact CG1-CG1 3.96Å; I70-V91 HydrophobicContact CG2-CG1 3.86Å; P72-V91 HydrophobicContact CB-CG1 4.07Å; P72-V91 HydrophobicContact CG-CG1 4.32Å; S75-V91 WeakPolarHBondContact OG-CG2 3.49Å; V91-A98 HydrophobicContact CG1-CB 4.21Å
92	D	98.1	Very high	97.7	Very high	55 Å²	55	49.4 Å²	49.4	29%	0.294	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	101.8	162.6	-179	-8.9	0	0	0	107.4	S94 S95 S96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.26Å; D92-S94 PolarHBondContact O-N 2.96Å; D92-S94 WeakPolarHBondContact OD1-CB 3.46Å; D92-S94 PolarHBondContact OD1-N 2.78Å; D92-S94 PolarHBondContact OD1-OG 2.97Å; D92-S95 VanDerWaalsContact CG-OG 3.31Å; D92-S95 PolarHBondContact O-N 2.87Å; D92-S95 PolarHBondContact OD1-N 2.82Å; D92-S95 PolarHBondContact OD2-OG 2.92Å; D92-S96 PolarHBondContact O-N 2.82Å; D92-S96 VanDerWaalsContact O-N 3.12Å; D92-T97 PolarHBondContact N-O 2.89Å; D92-T97 PolarHBondContact O-N 2.94Å; D92-Y99 HydrophobicContact CB-CE2 3.93Å
93	T	97.6	Very high	97.8	Very high	78 Å²	78	43.5 Å²	43.5	48%	0.479	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-24	-178.4	53.4	0	0	0	0	112.3	T49 P72 S95 S96	T49-T93 HydrophobicContact CG2-CG2 4.06Å; P72-T93 WeakPolarHBondContact O-CG2 3.46Å; T93-S95 VanDerWaalsContact C-N 3.34Å; T93-S96 PolarHBondContact O-N 3.25Å
94	S	97.1	Very high	97.8	Very high	107 Å²	107	47.1 Å²	47.1	75%	0.748	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-33.3	178.6	77.6	0	0	0	0	112	D92	D92-S94 VanDerWaalsContact C-N 3.26Å; D92-S94 PolarHBondContact O-N 2.96Å; D92-S94 WeakPolarHBondContact OD1-CB 3.46Å; D92-S94 PolarHBondContact OD1-N 2.78Å; D92-S94 PolarHBondContact OD1-OG 2.97Å
95	S	97.8	Very high	97.8	Very high	37 Å²	37	41 Å²	41	26%	0.259	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	4.2	178.4	77.6	0	0	0	0	113.7	D92 T93 T97	D92-S95 VanDerWaalsContact CG-OG 3.31Å; D92-S95 PolarHBondContact O-N 2.87Å; D92-S95 PolarHBondContact OD1-N 2.82Å; D92-S95 PolarHBondContact OD2-OG 2.92Å; T93-S95 VanDerWaalsContact C-N 3.34Å; S95-T97 PolarHBondContact O-N 3.31Å; S95-T97 PolarHBondContact O-OG1 3.45Å; S95-T97 VanDerWaalsContact OG-CB 3.24Å; S95-T97 WeakPolarHBondContact OG-CB 3.17Å; S95-T97 PolarHBondContact OG-OG1 2.85Å
96	S	98.1	Very high	97.9	Very high	36 Å²	36	40.5 Å²	40.5	25%	0.252	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	45.5	-171.7	-61.6	0	0	0	0	112.5	A43 D92 T93	A43-S96 PolarHBondContact N-O 2.88Å; A43-S96 WeakPolarHBondContact O-CB 3.2Å; D92-S96 PolarHBondContact O-N 2.82Å; D92-S96 VanDerWaalsContact O-N 3.12Å; T93-S96 PolarHBondContact O-N 3.25Å
97	T	98.6	Very high	97.8	Very high	9 Å²	9	43.4 Å²	43.4	6%	0.055	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.6	-173.9	-51.8	0	0	0	0	111	C41 D92 S95 Y99	C41-T97 WeakPolarHBondContact O-CA 3.37Å; D92-T97 PolarHBondContact N-O 2.89Å; D92-T97 PolarHBondContact O-N 2.94Å; S95-T97 PolarHBondContact O-N 3.31Å; S95-T97 PolarHBondContact O-OG1 3.45Å; S95-T97 VanDerWaalsContact OG-CB 3.24Å; S95-T97 WeakPolarHBondContact OG-CB 3.17Å; S95-T97 PolarHBondContact OG-OG1 2.85Å; T97-Y99 HydrophobicContact CG2-CD1 4.37Å; T97-Y99 HydrophobicContact CG2-CD2 4.35Å; T97-Y99 HydrophobicContact CG2-CE1 3.77Å; T97-Y99 HydrophobicContact CG2-CE2 3.73Å
98	A	98.7	Very high	97.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	149.3	167.4	0	0	0	0	0	110.1	S40 C41 F48 M53 W55 V91	S40-A98 CarbonylContact C-O 3.57Å; S40-A98 WeakPolarHBondContact CA-O 3.44Å; C41-A98 PolarHBondContact N-O 3.1Å; C41-A98 PolarHBondContact O-N 2.99Å; F48-A98 HydrophobicContact CZ-CB 4.16Å; M53-A98 HydrophobicContact CB-CB 4.07Å; M53-A98 HydrophobicContact CE-CB 4.47Å; M53-A98 HydrophobicContact CG-CB 3.57Å; W55-A98 HydrophobicContact CZ2-CB 4.33Å; V91-A98 HydrophobicContact CG1-CB 4.21Å
99	Y	98.6	Very high	97.4	Very high	54 Å²	54	47.1 Å²	47.1	21%	0.212	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.9	176.6	-55.4	-92.5	0	0	0	111	K38 L39 S40 L89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.37Å; K38-Y99 HydrophobicContact CG-CD1 4.35Å; L39-Y99 CarbonylContact O-C 3.48Å; L39-Y99 WeakPolarHBondContact O-CA 3.16Å; S40-Y99 VanDerWaalsContact CB-CE1 3.49Å; L89-Y99 WeakPolarHBondContact CA-O 3.18Å; T90-Y99 PolarHBondContact N-O 3.49Å; T90-Y99 PolarHBondContact O-N 2.9Å; D92-Y99 HydrophobicContact CB-CE2 3.93Å; T97-Y99 HydrophobicContact CG2-CD1 4.37Å; T97-Y99 HydrophobicContact CG2-CD2 4.35Å; T97-Y99 HydrophobicContact CG2-CE1 3.77Å; T97-Y99 HydrophobicContact CG2-CE2 3.73Å
100	M	98.4	Very high	97.3	Very high	0 Å²	0	51 Å²	51	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	118.2	167.2	177.3	176.6	67.8	0	0	109	L39 W55 I67 A87 T88 L89 L102 Y113	L39-M100 HydrophobicContact CD1-CE 3.67Å; L39-M100 PolarHBondContact N-O 2.86Å; L39-M100 PolarHBondContact O-N 2.84Å; W55-M100 HydrophobicContact CB-SD 3.92Å; W55-M100 HydrophobicContact CD2-CB 3.64Å; W55-M100 HydrophobicContact CD2-CE 4.22Å; W55-M100 HydrophobicContact CD2-CG 4.41Å; W55-M100 HydrophobicContact CD2-SD 4.04Å; W55-M100 HydrophobicContact CE3-CB 3.84Å; W55-M100 HydrophobicContact CE3-CE 3.61Å; W55-M100 HydrophobicContact CE3-SD 4.05Å; W55-M100 HydrophobicContact CG-CB 4.21Å; W55-M100 HydrophobicContact CG-SD 4.01Å; W55-M100 HydrophobicContact CH2-CB 3.97Å; W55-M100 HydrophobicContact CZ2-CB 3.8Å; W55-M100 HydrophobicContact CZ3-CB 4Å; W55-M100 HydrophobicContact CZ3-CE 4.1Å; I67-M100 HydrophobicContact CB-SD 4.49Å; I67-M100 HydrophobicContact CD1-CE 3.82Å; I67-M100 HydrophobicContact CD1-SD 3.61Å; I67-M100 HydrophobicContact CG2-SD 3.84Å; A87-M100 HydrophobicContact CB-CG 4.48Å; A87-M100 HydrophobicContact CB-SD 4.49Å; T88-M100 WeakPolarHBondContact O-CA 3.33Å; L89-M100 HydrophobicContact CD2-CB 3.7Å; L89-M100 HydrophobicContact CD2-CG 3.63Å; L89-M100 HydrophobicContact CD2-SD 4.15Å; M100-L102 HydrophobicContact CE-CD1 3.88Å; M100-L102 HydrophobicContact CE-CD2 4.32Å; M100-L102 HydrophobicContact CE-CG 4.06Å; M100-L102 HydrophobicContact CG-CD2 4.32Å; M100-L102 HydrophobicContact CG-CG 4.27Å; M100-L102 HydrophobicContact SD-CD2 4.05Å; M100-L102 HydrophobicContact SD-CG 4.31Å; M100-Y113 HydrophobicContact CE-CD1 3.6Å; M100-Y113 HydrophobicContact CE-CE1 4.2Å; M100-Y113 HydrophobicContact CE-CG 4.17Å
101	Q	98.3	Very high	97.2	Very high	77 Å²	77	49.7 Å²	49.7	36%	0.36	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	124.7	168.7	-176.8	172.4	-38.4	0	0	109.5	V37 A87 T88	V37-Q101 CarbonylContact O-C 3.51Å; V37-Q101 VanDerWaalsContact O-CA 3.27Å; V37-Q101 WeakPolarHBondContact O-CA 3.41Å; A87-Q101 CarbonylContact C-O 3.54Å; A87-Q101 VanDerWaalsContact CA-O 3.3Å; A87-Q101 WeakPolarHBondContact CA-O 3.31Å; T88-Q101 PolarHBondContact N-O 3.23Å; T88-Q101 PolarHBondContact O-N 3.18Å
102	L	97.9	Very high	97.1	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.9	170.3	-62.4	167.1	0	0	0	108.7	S36 V37 K86 A87 M100 L105 Y113	S36-L102 CarbonylContact C-O 3.56Å; S36-L102 WeakPolarHBondContact CA-O 3.29Å; S36-L102 WeakPolarHBondContact CB-O 3.45Å; V37-L102 HydrophobicContact CG1-CB 4.04Å; V37-L102 HydrophobicContact CG1-CD1 4.32Å; V37-L102 PolarHBondContact N-O 2.85Å; V37-L102 PolarHBondContact O-N 2.95Å; K86-L102 WeakPolarHBondContact O-CA 3.48Å; A87-L102 HydrophobicContact CB-CD2 3.79Å; M100-L102 HydrophobicContact CE-CD1 3.88Å; M100-L102 HydrophobicContact CE-CD2 4.32Å; M100-L102 HydrophobicContact CE-CG 4.06Å; M100-L102 HydrophobicContact CG-CD2 4.32Å; M100-L102 HydrophobicContact CG-CG 4.27Å; M100-L102 HydrophobicContact SD-CD2 4.05Å; M100-L102 HydrophobicContact SD-CG 4.31Å; L102-L105 HydrophobicContact CB-CD2 3.7Å; L102-L105 HydrophobicContact CD1-CD2 4.28Å; L102-Y113 HydrophobicContact CD1-CD1 4.17Å; L102-Y113 HydrophobicContact CD1-CE1 3.54Å; L102-Y113 HydrophobicContact CD1-CE2 4.19Å
103	S	97.4	Very high	97.1	Very high	30 Å²	30	50.7 Å²	50.7	21%	0.21	31%	0.309	C	S	.	.			trans	-112	155	-176.9	-51.2	0	0	0	0	111.9	S36 K86 L105	S36-S103 WeakPolarHBondContact OG-CA 3.15Å; K86-S103 PolarHBondContact O-N 2.74Å; S103-L105 PolarHBondContact O-N 2.77Å
104	S	96.8	Very high	97.1	Very high	82 Å²	82	51.6 Å²	51.6	57%	0.573	30%	0.304	S	S	*	.	S	Bend	trans	53.1	51.8	175	-55.5	0	0	0	0	113	A35	A35-S104 PolarHBondContact O-N 2.57Å
105	L	97.1	Very high	97.2	Very high	11 Å²	11	47 Å²	47	6%	0.058	27%	0.273	C	S	.	.			trans	-65.1	142.6	-172.9	-68	169.2	0	0	0	112.7	V31 P33 G34 A35 V37 L102 S103 D109	V31-L105 HydrophobicContact CB-CD1 4.31Å; V31-L105 HydrophobicContact CG2-CD1 3.52Å; P33-L105 CarbonylContact C-O 3.56Å; P33-L105 WeakPolarHBondContact CA-O 3.16Å; G34-L105 PolarHBondContact N-O 2.88Å; A35-L105 WeakPolarHBondContact O-CG 3.42Å; A35-L105 PolarHBondContact O-N 2.86Å; V37-L105 HydrophobicContact CB-CD1 3.9Å; V37-L105 HydrophobicContact CG1-CD1 3.7Å; L102-L105 HydrophobicContact CB-CD2 3.7Å; L102-L105 HydrophobicContact CD1-CD2 4.28Å; S103-L105 PolarHBondContact O-N 2.77Å; L105-D109 WeakPolarHBondContact CA-OD2 3.48Å; L105-D109 HydrophobicContact CD2-CB 3.62Å
106	T	96	Very high	97.2	Very high	65 Å²	65	47.2 Å²	47.2	40%	0.399	28%	0.276	S	S	.	.			trans	-120	174	173.8	70.2	0	0	0	0	110.4	E108 D109	T106-E108 PolarHBondContact O-N 3.12Å; T106-E108 PolarHBondContact OG1-N 3.41Å; T106-D109 PolarHBondContact N-OD2 3.46Å; T106-D109 WeakPolarHBondContact O-CB 3.34Å; T106-D109 PolarHBondContact O-N 3.3Å; T106-D109 PolarHBondContact OG1-OD2 3.49Å
107	S	94.4	Very high	96.9	Very high	106 Å²	106	51.1 Å²	51.1	74%	0.741	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-58.1	-27.3	173.7	50.4	0	0	0	0	112.9	D109 S110	S107-D109 PolarHBondContact O-N 3.11Å; S107-S110 WeakPolarHBondContact O-CB 3.31Å; S107-S110 PolarHBondContact O-N 3.31Å
108	E	93.4	Very high	96.8	Very high	136 Å²	136	53.3 Å²	53.3	64%	0.636	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-69.3	-12.9	175.9	-58.9	-177.7	177.4	0	0	113.6	K57 R59 T106	K57-E108 WeakPolarHBondContact CE-O 3.2Å; K57-E108 PolarHBondContact NZ-O 2.98Å; R59-E108 PolarHBondContact NE-O 2.63Å; T106-E108 PolarHBondContact O-N 3.12Å; T106-E108 PolarHBondContact OG1-N 3.41Å
109	D	95.3	Very high	96.7	Very high	11 Å²	11	56.1 Å²	56.1	6%	0.059	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-91.3	-4.6	175.4	-56.4	-51.2	0	0	0	114	K57 K86 L105 T106 S107 A111 Y113	K57-D109 IonicContact NZ-OD1 3.22Å; K57-D109 PolarHBondContact NZ-OD1 2.95Å; K86-D109 WeakPolarHBondContact CE-OD1 3.46Å; K86-D109 WeakPolarHBondContact CE-OD2 3.43Å; K86-D109 IonicContact NZ-OD1 2.86Å; K86-D109 PolarHBondContact NZ-OD1 3.49Å; K86-D109 IonicContact NZ-OD2 2.57Å; K86-D109 PolarHBondContact NZ-OD2 3.12Å; L105-D109 WeakPolarHBondContact CA-OD2 3.48Å; L105-D109 HydrophobicContact CD2-CB 3.62Å; T106-D109 PolarHBondContact N-OD2 3.46Å; T106-D109 WeakPolarHBondContact O-CB 3.34Å; T106-D109 PolarHBondContact O-N 3.3Å; T106-D109 PolarHBondContact OG1-OD2 3.49Å; S107-D109 PolarHBondContact O-N 3.11Å; D109-A111 PolarHBondContact O-N 3.01Å; D109-Y113 WeakPolarHBondContact O-CE2 3.36Å; D109-Y113 PolarHBondContact O-OH 3.34Å
110	S	96	Very high	96.6	Very high	91 Å²	91	56.2 Å²	56.2	64%	0.636	32%	0.318	S	S	*	.			trans	-65.2	105.5	170.7	-175	0	0	0	0	109.7	S107	S107-S110 WeakPolarHBondContact O-CB 3.31Å; S107-S110 PolarHBondContact O-N 3.31Å
111	A	96.9	Very high	96.5	Very high	29 Å²	29	59.5 Å²	59.5	24%	0.24	34%	0.337	C	S	.	.	S	Bend	trans	-160.6	166.4	-171.5	0	0	0	0	0	110.4	K57 Q58 R59 D109 Y113	K57-A111 HydrophobicContact CD-CB 4.17Å; K57-A111 HydrophobicContact CG-CB 3.53Å; Q58-A111 CarbonylContact O-C 3.57Å; Q58-A111 WeakPolarHBondContact O-CA 3.08Å; Q58-A111 VanDerWaalsContact O-CB 3.25Å; Q58-A111 WeakPolarHBondContact O-CB 3.32Å; R59-A111 HydrophobicContact CG-CB 4.14Å; D109-A111 PolarHBondContact O-N 3.01Å; A111-Y113 HydrophobicContact CB-CD2 4.43Å; A111-Y113 HydrophobicContact CB-CE2 3.86Å
112	V	97.2	Very high	96.4	Very high	75 Å²	75	58.4 Å²	58.4	46%	0.455	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135.8	160.8	-172.5	0	0	0	0	108.1	Q58 Y114	Q58-V112 PolarHBondContact N-O 3Å; Q58-V112 PolarHBondContact O-N 3.01Å; V112-Y114 HydrophobicContact CB-CE2 3.93Å; V112-Y114 HydrophobicContact CG1-CD1 4.4Å; V112-Y114 HydrophobicContact CG1-CD2 4.21Å; V112-Y114 HydrophobicContact CG1-CE1 3.8Å; V112-Y114 HydrophobicContact CG1-CE2 3.57Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.05Å
113	Y	97.9	Very high	96.3	Very high	30 Å²	30	62.2 Å²	62.2	12%	0.118	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.2	178.4	-69.2	-86.9	0	0	0	109.1	Q25 L39 V56 K57 I67 M100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 3.22Å; Q25-Y113 PolarHBondContact OE1-O 3.33Å; L39-Y113 VanDerWaalsContact CD1-CB 3.49Å; L39-Y113 HydrophobicContact CD1-CD1 4.43Å; L39-Y113 HydrophobicContact CD1-CD2 4.04Å; L39-Y113 HydrophobicContact CD1-CG 3.74Å; V56-Y113 WeakPolarHBondContact O-CA 3.36Å; K57-Y113 HydrophobicContact CB-CD1 4.19Å; K57-Y113 HydrophobicContact CB-CE1 3.96Å; K57-Y113 HydrophobicContact CD-CE1 3.92Å; K57-Y113 WeakPolarHBondContact CE-OH 3.47Å; K57-Y113 HydrophobicContact CG-CD1 4.26Å; K57-Y113 HydrophobicContact CG-CE1 3.71Å; I67-Y113 HydrophobicContact CD1-CD1 3.67Å; I67-Y113 HydrophobicContact CD1-CE1 3.81Å; M100-Y113 HydrophobicContact CE-CD1 3.6Å; M100-Y113 HydrophobicContact CE-CE1 4.2Å; M100-Y113 HydrophobicContact CE-CG 4.17Å; L102-Y113 HydrophobicContact CD1-CD1 4.17Å; L102-Y113 HydrophobicContact CD1-CE1 3.54Å; L102-Y113 HydrophobicContact CD1-CE2 4.19Å; D109-Y113 WeakPolarHBondContact O-CE2 3.36Å; D109-Y113 PolarHBondContact O-OH 3.34Å; A111-Y113 HydrophobicContact CB-CD2 4.43Å; A111-Y113 HydrophobicContact CB-CE2 3.86Å
114	Y	97.9	Very high	96.2	Very high	96 Å²	96	64.5 Å²	64.5	38%	0.376	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	138.5	-179.6	-61.8	-78.9	0	0	0	110.2	W55 V56 Q58 L64 V112	W55-Y114 WeakPolarHBondContact CA-O 3.48Å; V56-Y114 PolarHBondContact N-O 3.43Å; V56-Y114 PolarHBondContact O-N 3.45Å; Q58-Y114 HydrophobicContact CB-CD2 4.47Å; Q58-Y114 HydrophobicContact CB-CE2 3.91Å; Q58-Y114 PolarHBondContact OE1-OH 3.47Å; L64-Y114 HydrophobicContact CD2-CD2 4.49Å; V112-Y114 HydrophobicContact CB-CE2 3.93Å; V112-Y114 HydrophobicContact CG1-CD1 4.4Å; V112-Y114 HydrophobicContact CG1-CD2 4.21Å; V112-Y114 HydrophobicContact CG1-CE1 3.8Å; V112-Y114 HydrophobicContact CG1-CE2 3.57Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.05Å
115	C	98.2	Very high	96.2	Very high	12 Å²	12	63.2 Å²	63.2	8%	0.081	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	144.4	157	64.2	0	0	0	0	110.3	Q25 C41 M53 Q54 W55	Q25-C115 VanDerWaalsContact CD-SG 3.6Å; Q25-C115 VanDerWaalsContact CG-SG 3.54Å; C41-C115 HydrophobicContact CB-CB 3.42Å; C41-C115 VanDerWaalsContact CB-CB 3.42Å; C41-C115 WeakPolarHBondContact CB-SG 3.24Å; C41-C115 WeakPolarHBondContact SG-CB 3.35Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 3.31Å; M53-C115 HydrophobicContact SD-CB 3.72Å; Q54-C115 CarbonylContact O-C 3.54Å; Q54-C115 VanDerWaalsContact O-CA 3.29Å; Q54-C115 WeakPolarHBondContact O-CA 3.23Å; W55-C115 HydrophobicContact CD2-CB 4.47Å; W55-C115 HydrophobicContact CE3-CB 4.3Å; W55-C115 HydrophobicContact CH2-CB 4.29Å; W55-C115 HydrophobicContact CZ2-CB 4.43Å; W55-C115 HydrophobicContact CZ3-CB 4.22Å
116	A	97.9	Very high	96.1	Very high	40 Å²	40	67.5 Å²	67.5	33%	0.331	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	158.5	177.7	0	0	0	0	0	110.9	Q54	Q54-A116 HydrophobicContact CB-CB 4.21Å; Q54-A116 WeakPolarHBondContact CB-O 3.33Å; Q54-A116 PolarHBondContact N-O 3.43Å; Q54-A116 PolarHBondContact O-N 3.41Å
117	R	92.4	Very high	96.1	Very high	119 Å²	119	67.7 Å²	67.7	45%	0.449	38%	0.375	S	S	.	.			trans	-122.9	0	172.6	69.5	164.4	-149.6	167.2	7.4	110.3	V21 L23 Y46	V21-R117 VanDerWaalsContact CG1-NE 3.28Å; L23-R117 HydrophobicContact CD1-CG 4.45Å; Y46-R117 VanDerWaalsContact CD2-NH1 3.31Å

Retrieved 117 of 117 residues in 154.6 ms (Link to these results)

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