A0A075B5L8_MOUSE Loading...

Immunoglobulin kappa variable 4-79

AlphaFold DB , UniProt , Accession A0A075B5L8, Species MOUSE (Mus musculus, Mouse), Gene Igkv4-79, Length 119 aa.

						>A0A075B5L8_MOUSE|A0A075B5L8|Igkv4-79
MDFQVQIFSFLLISVSVIMSRGQIVLTQSPAIMSASPGEKVTLTCSASSSVSSSYLYWYQQKPGSSPKLWIYSTSNLASGVPARFSGSGSGTSYSLTISSMEAEDAASYFCHQWSSYPP
					

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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	48.5	Very low	53.2	Low	242 Å²	242	163.8 Å²	163.8	100%	1.192	82%	0.816	S	S	*	*				0	108.1	0	-78.9	170.9	75.7	0	0	106.2
2	D	49.3	Very low	53.6	Low	161 Å²	161	163.9 Å²	163.9	86%	0.861	82%	0.82	S	S	*	*			trans	-71.3	145.5	-168.4	-63.3	-75.1	0	0	0	113.4
3	F	51.2	Low	54.1	Low	186 Å²	186	163.2 Å²	163.2	82%	0.816	82%	0.817	S	S	*	*			trans	-85.1	116.4	-176.2	-163.1	-107.5	0	0	0	109.6	V5	F3-V5 HydrophobicContact CD1-CG2 3.59Å; F3-V5 HydrophobicContact CE1-CG2 3.47Å; F3-V5 VanDerWaalsContact CE1-CG2 3.47Å
4	Q	45.7	Very low	54.7	Low	174 Å²	174	158.4 Å²	158.4	81%	0.813	81%	0.807	S	S	*	*			trans	-99.8	113.3	170.7	-80	-71.7	-44.2	0	0	109.3
5	V	59.2	Low	55	Low	104 Å²	104	156.3 Å²	156.3	63%	0.63	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-86.8	117.2	170.3	177.6	0	0	0	0	107.8	F3	F3-V5 HydrophobicContact CD1-CG2 3.59Å; F3-V5 HydrophobicContact CE1-CG2 3.47Å; F3-V5 VanDerWaalsContact CE1-CG2 3.47Å
6	Q	53	Low	55.4	Low	156 Å²	156	152.6 Å²	152.6	73%	0.729	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-98.8	121	179.9	-152.6	157.1	-45.1	0	0	109.6
7	I	60.2	Low	55.6	Low	144 Å²	144	150.8 Å²	150.8	74%	0.738	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-80.6	117.4	178.6	-66	173.7	0	0	0	108.7	S9	I7-S9 PolarHBondContact O-N 2.74Å
8	F	53.4	Low	55.7	Low	172 Å²	172	151.2 Å²	151.2	75%	0.754	80%	0.795	S	S	*	*			trans	-83.4	89.2	171.2	-65.6	-82.7	0	0	0	109.6	F10	F8-F10 PolarHBondContact O-N 2.91Å
9	S	66.5	Low	55.7	Low	105 Å²	105	151.2 Å²	151.2	73%	0.734	79%	0.792	S	S	*	*			trans	-75.3	110.2	167.8	-75	0	0	0	0	109.1	I7 L11	I7-S9 PolarHBondContact O-N 2.74Å; S9-L11 PolarHBondContact O-N 3.36Å
10	F	49.4	Very low	55.9	Low	199 Å²	199	146.5 Å²	146.5	87%	0.873	77%	0.772	S	S	*	*			trans	-57.9	103.8	177	-76.2	-94.3	0	0	0	110.4	F8 L12	F8-F10 PolarHBondContact O-N 2.91Å; F10-L12 PolarHBondContact O-N 3.05Å
11	L	49.5	Very low	56.2	Low	159 Å²	159	151.5 Å²	151.5	83%	0.832	78%	0.781	S	S	*	*			trans	-60.9	107.8	172.4	-163.3	82.4	0	0	0	108	S9 I13	S9-L11 PolarHBondContact O-N 3.36Å; L11-I13 PolarHBondContact O-N 3.49Å
12	L	57	Low	57.4	Low	165 Å²	165	141.5 Å²	141.5	86%	0.864	74%	0.74	S	S	*	*			trans	-53.8	108.4	168.7	-69.9	163.3	0	0	0	107.7	F10 S14	F10-L12 PolarHBondContact O-N 3.05Å; L12-S14 VanDerWaalsContact C-N 3.29Å; L12-S14 PolarHBondContact O-N 3.43Å
13	I	60.2	Low	59	Low	154 Å²	154	138.8 Å²	138.8	79%	0.79	72%	0.722	S	S	*	*			trans	-65.5	95.7	173.2	-61.3	170.4	0	0	0	106	L11 V15	L11-I13 PolarHBondContact O-N 3.49Å; I13-V15 PolarHBondContact O-N 2.95Å; I13-V15 VanDerWaalsContact O-N 3.08Å
14	S	62.9	Low	61	Low	96 Å²	96	131.1 Å²	131.1	67%	0.671	69%	0.689	S	S	*	*			trans	-62.5	110.7	167.7	54.1	0	0	0	0	107.3	L12 S16	L12-S14 VanDerWaalsContact C-N 3.29Å; L12-S14 PolarHBondContact O-N 3.43Å; S14-S16 PolarHBondContact O-N 3.34Å
15	V	59.4	Low	63.3	Low	127 Å²	127	126.2 Å²	126.2	77%	0.77	67%	0.671	S	S	*	*			trans	-63.2	100.5	171.2	176.7	0	0	0	0	107.3	I13 V17	I13-V15 PolarHBondContact O-N 2.95Å; I13-V15 VanDerWaalsContact O-N 3.08Å; V15-V17 PolarHBondContact O-N 3.3Å
16	S	61.4	Low	65	Low	97 Å²	97	123.5 Å²	123.5	68%	0.678	65%	0.653	S	S	*	*			trans	-66.9	103.2	170.1	-52	0	0	0	0	107.6	S14 I18	S14-S16 PolarHBondContact O-N 3.34Å; S16-I18 PolarHBondContact O-N 2.87Å
17	V	59.3	Low	67.2	Low	123 Å²	123	120.5 Å²	120.5	75%	0.745	65%	0.645	S	S	*	*			trans	-57.2	112.7	165.3	178.9	0	0	0	0	106.4	V15 M19	V15-V17 PolarHBondContact O-N 3.3Å; V17-M19 PolarHBondContact O-N 3.08Å
18	I	56.2	Low	69	Low	158 Å²	158	117 Å²	117	81%	0.81	63%	0.626	S	S	*	*			trans	-69.4	87.6	172.1	-56.5	175.3	0	0	0	105.7	S16 S20	S16-I18 PolarHBondContact O-N 2.87Å; I18-S20 PolarHBondContact O-N 3Å
19	M	55.6	Low	71.1	Confident	151 Å²	151	111.9 Å²	111.9	74%	0.744	61%	0.611	S	S	*	*			trans	-61.2	103	167.8	-165	99.7	71.8	0	0	106	V17 R21	V17-M19 PolarHBondContact O-N 3.08Å; M19-R21 WeakPolarHBondContact O-CG 3.3Å; M19-R21 PolarHBondContact O-N 3.3Å
20	S	60.9	Low	72.6	Confident	57 Å²	57	109.3 Å²	109.3	40%	0.399	59%	0.592	S	S	.	*			trans	-57.2	105	175.7	176.9	0	0	0	0	108.6	I18 G22 P119	I18-S20 PolarHBondContact O-N 3Å; S20-G22 PolarHBondContact O-N 3.19Å; S20-G22 VanDerWaalsContact O-N 3.1Å; S20-P119 VanDerWaalsContact OG-CG 3.32Å; S20-P119 WeakPolarHBondContact OG-CG 3.11Å
21	R	62.5	Low	74.8	Confident	251 Å²	251	104.7 Å²	104.7	95%	0.947	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	9.7	-171.9	-70.8	-170.4	177.3	-112	1.7	114.2	M19	M19-R21 WeakPolarHBondContact O-CG 3.3Å; M19-R21 PolarHBondContact O-N 3.3Å
22	G	72.1	Confident	77	Confident	33 Å²	33	104.6 Å²	104.6	34%	0.34	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-117.6	-16.4	-174.4	0	0	0	0	0	116.2	S20 S116	S20-G22 PolarHBondContact O-N 3.19Å; S20-G22 VanDerWaalsContact O-N 3.1Å; G22-S116 PolarHBondContact O-OG 2.85Å
23	Q	84.4	Confident	78.8	Confident	103 Å²	103	100.9 Å²	100.9	48%	0.481	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-88.2	122.4	-169.9	-171.4	176.7	-36.5	0	0	112.2	V25 P118	Q23-V25 HydrophobicContact CG-CG2 4.36Å; Q23-P118 HydrophobicContact CG-CB 4.44Å
24	I	91.8	Very high	80.5	Confident	26 Å²	26	99 Å²	99	13%	0.133	57%	0.57	C	S	.	*	P	Polyproline II helix	trans	-90.1	121.6	168.5	-59.4	179.3	0	0	0	108.2	L26 A47 V51 Q113	I24-L26 HydrophobicContact CG2-CD2 4.24Å; I24-A47 HydrophobicContact CG2-CB 4.05Å; I24-V51 HydrophobicContact CD1-CG2 3.92Å; I24-V51 HydrophobicContact CG2-CG2 3.94Å; I24-Q113 HydrophobicContact CB-CG 4.2Å; I24-Q113 HydrophobicContact CG2-CG 4.01Å
25	V	93.9	Very high	82	Confident	70 Å²	70	96.1 Å²	96.1	42%	0.424	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-100.8	131.9	178.2	-179.1	0	0	0	0	108.6	Q23 A47 S48	Q23-V25 HydrophobicContact CG-CG2 4.36Å; V25-A47 CarbonylContact O-C 3.53Å; V25-A47 WeakPolarHBondContact O-CA 3.29Å; V25-S48 PolarHBondContact N-OG 2.8Å; V25-S48 PolarHBondContact O-N 2.81Å
26	L	96.2	Very high	83.8	Confident	47 Å²	47	93 Å²	93	25%	0.246	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.9	176.5	-57.9	-178.8	0	0	0	109.8	I24 S46 A47 C111 Q113	I24-L26 HydrophobicContact CG2-CD2 4.24Å; L26-S46 CarbonylContact C-O 3.55Å; L26-S46 WeakPolarHBondContact CA-O 3.48Å; L26-A47 HydrophobicContact CD2-CB 3.57Å; L26-C111 HydrophobicContact CD1-CB 4.48Å; L26-C111 WeakPolarHBondContact CD1-O 3.45Å; L26-Q113 HydrophobicContact CD1-CB 4.15Å; L26-Q113 HydrophobicContact CD1-CG 4.08Å; L26-Q113 HydrophobicContact CD2-CB 4.42Å; L26-Q113 HydrophobicContact CD2-CG 4.22Å; L26-Q113 HydrophobicContact CG-CG 4.27Å
27	T	98.2	Very high	85.6	Confident	93 Å²	93	93.6 Å²	93.6	57%	0.571	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.3	176.6	-55.2	0	0	0	0	109.2	C45 S46	T27-C45 CarbonylContact O-C 3.51Å; T27-C45 WeakPolarHBondContact O-CA 3.5Å; T27-S46 PolarHBondContact N-O 2.83Å; T27-S46 PolarHBondContact O-N 3.2Å
28	Q	98.4	Very high	87.4	Confident	71 Å²	71	90 Å²	90	33%	0.332	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	147.7	-178.4	-52.7	-166.9	133.8	0	0	112.4	T44 Y109 F110 C111	Q28-T44 VanDerWaalsContact CA-O 3.23Å; Q28-T44 WeakPolarHBondContact CA-O 3.29Å; Q28-Y109 PolarHBondContact NE2-O 2.86Å; Q28-F110 VanDerWaalsContact OE1-CA 3.28Å; Q28-C111 PolarHBondContact OE1-SG 2.98Å
29	S	98.3	Very high	89.4	Confident	65 Å²	65	86.7 Å²	86.7	46%	0.455	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	145.4	174.4	-173.8	0	0	0	0	112	T44	S29-T44 PolarHBondContact N-O 2.83Å; S29-T44 PolarHBondContact O-N 3.23Å; S29-T44 PolarHBondContact O-OG1 2.85Å
30	P	97.7	Very high	91.4	Very high	50 Å²	50	86.5 Å²	86.5	33%	0.325	50%	0.501	S	S	.	.			cis	-69.8	159.2	-13.6	31.8	-36.7	0	0	0	111.7	M33 L43	P30-M33 HydrophobicContact CG-CB 3.86Å; P30-M33 HydrophobicContact CG-CE 4.1Å; P30-M33 HydrophobicContact CG-CG 4.45Å; P30-M33 HydrophobicContact CG-SD 3.96Å; P30-L43 HydrophobicContact CG-CD2 4.42Å
31	A	95.2	Very high	93.2	Very high	103 Å²	103	84.3 Å²	84.3	85%	0.851	49%	0.485	S	S	*	.	S	Bend	trans	-70.4	-35.4	177.4	0	0	0	0	0	112.7
32	I	95.5	Very high	94.9	Very high	156 Å²	156	75.1 Å²	75.1	80%	0.8	46%	0.457	S	S	*	.	S	Bend	trans	-140	139	178.2	-57.2	175.1	0	0	0	107.2
33	M	94.4	Very high	96.2	Very high	88 Å²	88	74.7 Å²	74.7	43%	0.433	45%	0.447	S	S	.	.			trans	-147.2	145.5	176.5	-179.1	162.1	53.5	0	0	110.3	P30 V41 L43	P30-M33 HydrophobicContact CG-CB 3.86Å; P30-M33 HydrophobicContact CG-CE 4.1Å; P30-M33 HydrophobicContact CG-CG 4.45Å; P30-M33 HydrophobicContact CG-SD 3.96Å; M33-V41 HydrophobicContact CE-CB 4.12Å; M33-V41 HydrophobicContact CE-CG1 3.32Å; M33-V41 HydrophobicContact CE-CG2 3.97Å; M33-L43 HydrophobicContact CE-CD2 3.73Å
34	S	95.6	Very high	96.8	Very high	115 Å²	115	72.3 Å²	72.3	80%	0.804	44%	0.439	S	S	*	.			trans	-110.7	138.6	167.4	54	0	0	0	0	108.7
35	A	95.8	Very high	97.1	Very high	35 Å²	35	71.1 Å²	71.1	29%	0.289	43%	0.433	S	S	.	.			trans	-140.4	145.2	175.4	0	0	0	0	0	109.8	E39 V41 M101	A35-E39 VanDerWaalsContact CA-OE2 3.3Å; A35-E39 WeakPolarHBondContact CA-OE2 3.35Å; A35-E39 HydrophobicContact CB-CB 4.4Å; A35-V41 HydrophobicContact CB-CG2 3.41Å; A35-V41 VanDerWaalsContact CB-CG2 3.41Å; A35-M101 HydrophobicContact CB-CB 4.46Å; A35-M101 HydrophobicContact CB-CG 4.11Å
36	S	97.1	Very high	97.4	Very high	62 Å²	62	70.4 Å²	70.4	43%	0.434	43%	0.431	S	S	.	.			trans	-82.3	154.5	174.6	-42.7	0	0	0	0	110.6	G38 E39	S36-G38 PolarHBondContact O-N 2.89Å; S36-E39 WeakPolarHBondContact CB-OE1 3.44Å; S36-E39 PolarHBondContact N-OE2 2.79Å; S36-E39 VanDerWaalsContact O-CB 3.29Å; S36-E39 WeakPolarHBondContact O-CB 3.3Å; S36-E39 WeakPolarHBondContact O-CG 3.47Å; S36-E39 PolarHBondContact O-N 3.43Å; S36-E39 PolarHBondContact OG-OE1 2.72Å
37	P	97.5	Very high	97.4	Very high	109 Å²	109	68.7 Å²	68.7	71%	0.708	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	134.6	173	-26.8	35.4	0	0	0	112.4	E39 M101	P37-E39 VanDerWaalsContact C-N 3.3Å; P37-E39 PolarHBondContact O-N 3.46Å; P37-M101 CarbonylContact C-O 3.49Å; P37-M101 VanDerWaalsContact CA-O 3.3Å; P37-M101 WeakPolarHBondContact CA-O 3.34Å
38	G	98	Very high	97.2	Very high	48 Å²	48	68 Å²	68	50%	0.495	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-12.6	-176.7	0	0	0	0	0	115.2	S36 M101	S36-G38 PolarHBondContact O-N 2.89Å; G38-M101 PolarHBondContact N-O 2.83Å
39	E	98.2	Very high	97	Very high	87 Å²	87	67.7 Å²	67.7	41%	0.407	43%	0.428	S	S	.	.			trans	-71.4	148.3	175.8	-70.3	176.8	-170.9	0	0	111.7	A35 S36 P37 M101	A35-E39 VanDerWaalsContact CA-OE2 3.3Å; A35-E39 WeakPolarHBondContact CA-OE2 3.35Å; A35-E39 HydrophobicContact CB-CB 4.4Å; S36-E39 WeakPolarHBondContact CB-OE1 3.44Å; S36-E39 PolarHBondContact N-OE2 2.79Å; S36-E39 VanDerWaalsContact O-CB 3.29Å; S36-E39 WeakPolarHBondContact O-CB 3.3Å; S36-E39 WeakPolarHBondContact O-CG 3.47Å; S36-E39 PolarHBondContact O-N 3.43Å; S36-E39 PolarHBondContact OG-OE1 2.72Å; P37-E39 VanDerWaalsContact C-N 3.3Å; P37-E39 PolarHBondContact O-N 3.46Å; E39-M101 WeakPolarHBondContact O-CB 3.19Å; E39-M101 PolarHBondContact O-N 2.84Å
40	K	98.4	Very high	96.9	Very high	148 Å²	148	68.3 Å²	68.3	64%	0.643	43%	0.432	S	S	*	.			trans	-84.1	127.9	172.1	179.9	-179	177.7	-177.6	0	109.8	T97 I98	K40-T97 HydrophobicContact CD-CG2 4.45Å; K40-T97 VanDerWaalsContact CE-CG2 3.45Å; K40-T97 HydrophobicContact CG-CG2 4.21Å; K40-I98 CarbonylContact C-O 3.56Å; K40-I98 WeakPolarHBondContact CA-O 3.34Å
41	V	97.8	Very high	96.8	Very high	10 Å²	10	66 Å²	66	6%	0.061	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.2	178	155.3	0	0	0	0	109.8	M33 A35 T97 I98 M101	M33-V41 HydrophobicContact CE-CB 4.12Å; M33-V41 HydrophobicContact CE-CG1 3.32Å; M33-V41 HydrophobicContact CE-CG2 3.97Å; A35-V41 HydrophobicContact CB-CG2 3.41Å; A35-V41 VanDerWaalsContact CB-CG2 3.41Å; V41-T97 CarbonylContact O-C 3.52Å; V41-T97 VanDerWaalsContact O-CA 3.26Å; V41-T97 WeakPolarHBondContact O-CA 3.08Å; V41-I98 HydrophobicContact CB-CB 4.21Å; V41-I98 HydrophobicContact CB-CD1 4.41Å; V41-I98 HydrophobicContact CB-CG1 4.35Å; V41-I98 HydrophobicContact CG1-CD1 4.05Å; V41-I98 HydrophobicContact CG1-CG1 4.16Å; V41-I98 PolarHBondContact N-O 2.9Å; V41-I98 PolarHBondContact O-N 3.08Å; V41-M101 HydrophobicContact CG2-SD 4.23Å
42	T	98.4	Very high	96.8	Very high	58 Å²	58	63.8 Å²	63.8	36%	0.356	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.1	171	-62.3	0	0	0	0	110	L96 T97	T42-L96 CarbonylContact C-O 3.57Å; T42-L96 WeakPolarHBondContact CA-O 3.31Å; T42-T97 PolarHBondContact OG1-OG1 2.9Å; T42-T97 VanDerWaalsContact OG1-OG1 3.11Å
43	L	98.5	Very high	96.8	Very high	25 Å²	25	58.4 Å²	58.4	13%	0.131	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	141.3	169.4	-58.4	178.5	0	0	0	108.7	P30 M33 W58 S95 L96 Y109	P30-L43 HydrophobicContact CG-CD2 4.42Å; M33-L43 HydrophobicContact CE-CD2 3.73Å; L43-W58 HydrophobicContact CB-CH2 4.14Å; L43-W58 HydrophobicContact CB-CZ3 4.37Å; L43-S95 CarbonylContact O-C 3.55Å; L43-S95 WeakPolarHBondContact O-CA 3.48Å; L43-S95 VanDerWaalsContact O-CB 3.23Å; L43-S95 WeakPolarHBondContact O-CB 3.15Å; L43-L96 HydrophobicContact CD1-CD2 4.21Å; L43-L96 PolarHBondContact N-O 3.4Å; L43-L96 PolarHBondContact O-N 3.04Å; L43-Y109 HydrophobicContact CD1-CD2 4.07Å; L43-Y109 HydrophobicContact CD1-CG 3.98Å
44	T	98.6	Very high	96.9	Very high	53 Å²	53	57.3 Å²	57.3	33%	0.325	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	150.1	175.7	61.9	0	0	0	0	111	Q28 S29 Y94	Q28-T44 VanDerWaalsContact CA-O 3.23Å; Q28-T44 WeakPolarHBondContact CA-O 3.29Å; S29-T44 PolarHBondContact N-O 2.83Å; S29-T44 PolarHBondContact O-N 3.23Å; S29-T44 PolarHBondContact O-OG1 2.85Å; T44-Y94 CarbonylContact C-O 3.57Å; T44-Y94 WeakPolarHBondContact CA-O 3.43Å
45	C	98.5	Very high	96.9	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	115.2	174	176.1	0	0	0	0	108.7	T27 W58 Y94 C111	T27-C45 CarbonylContact O-C 3.51Å; T27-C45 WeakPolarHBondContact O-CA 3.5Å; C45-W58 HydrophobicContact CB-CH2 3.69Å; C45-W58 HydrophobicContact CB-CZ2 3.66Å; C45-Y94 PolarHBondContact N-O 3.15Å; C45-Y94 PolarHBondContact O-N 2.85Å; C45-C111 HydrophobicContact CB-CB 3.51Å; C45-C111 WeakPolarHBondContact CB-SG 3.46Å; C45-C111 WeakPolarHBondContact SG-CB 3.36Å; C45-C111 CovalentContact SG-SG 2.03Å; C45-C111 PolarHBondContact SG-SG 2.89Å
46	S	98.3	Very high	97	Very high	56 Å²	56	55 Å²	55	39%	0.392	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.1	178.3	-60.4	0	0	0	0	110.4	L26 T27 T92	L26-S46 CarbonylContact C-O 3.55Å; L26-S46 WeakPolarHBondContact CA-O 3.48Å; T27-S46 PolarHBondContact N-O 2.83Å; T27-S46 PolarHBondContact O-N 3.2Å; S46-T92 CarbonylContact C-O 3.55Å; S46-T92 VanDerWaalsContact CA-O 3.27Å; S46-T92 WeakPolarHBondContact CA-O 3.42Å
47	A	96.7	Very high	97.1	Very high	10 Å²	10	53.6 Å²	53.6	8%	0.083	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	141.1	176.2	0	0	0	0	0	111.1	I24 V25 L26 S49 V51 T92	I24-A47 HydrophobicContact CG2-CB 4.05Å; V25-A47 CarbonylContact O-C 3.53Å; V25-A47 WeakPolarHBondContact O-CA 3.29Å; L26-A47 HydrophobicContact CD2-CB 3.57Å; A47-S49 VanDerWaalsContact CB-O 3.26Å; A47-S49 WeakPolarHBondContact CB-O 3.35Å; A47-S49 PolarHBondContact O-N 3.05Å; A47-V51 HydrophobicContact CB-CG2 3.95Å; A47-T92 PolarHBondContact N-O 2.93Å; A47-T92 WeakPolarHBondContact O-CB 3.35Å
48	S	95.2	Very high	97.2	Very high	78 Å²	78	48.4 Å²	48.4	55%	0.545	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	-15.7	177.5	64.4	0	0	0	0	114.1	V25	V25-S48 PolarHBondContact N-OG 2.8Å; V25-S48 PolarHBondContact O-N 2.81Å
49	S	94.3	Very high	97.2	Very high	66 Å²	66	49.4 Å²	49.4	46%	0.462	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	165.3	175	-169.7	0	0	0	0	109.5	A47 V51	A47-S49 VanDerWaalsContact CB-O 3.26Å; A47-S49 WeakPolarHBondContact CB-O 3.35Å; A47-S49 PolarHBondContact O-N 3.05Å; S49-V51 PolarHBondContact O-N 3.2Å
50	S	95.1	Very high	97.2	Very high	77 Å²	77	45.9 Å²	45.9	54%	0.538	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	127.2	-178.8	-170.8	0	0	0	0	111.3	G91	S50-G91 WeakPolarHBondContact CA-O 3.49Å; S50-G91 WeakPolarHBondContact OG-CA 3.28Å
51	V	95.6	Very high	97.2	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	139.5	172.1	174.6	0	0	0	0	107.5	I24 A47 S49 L56 G91 Y94 Q113	I24-V51 HydrophobicContact CD1-CG2 3.92Å; I24-V51 HydrophobicContact CG2-CG2 3.94Å; A47-V51 HydrophobicContact CB-CG2 3.95Å; S49-V51 PolarHBondContact O-N 3.2Å; V51-L56 HydrophobicContact CG1-CB 4.43Å; V51-G91 PolarHBondContact N-O 3.49Å; V51-Y94 HydrophobicContact CB-CE2 4.16Å; V51-Y94 WeakPolarHBondContact CB-OH 3.44Å; V51-Y94 PolarHBondContact O-OH 2.96Å; V51-Q113 HydrophobicContact CG1-CB 3.99Å; V51-Q113 HydrophobicContact CG2-CB 4.02Å; V51-Q113 HydrophobicContact CG2-CG 4.39Å
52	S	95.8	Very high	97.2	Very high	56 Å²	56	45.2 Å²	45.2	39%	0.392	26%	0.262	S	S	.	.			trans	-67.6	137.6	169.9	176.2	0	0	0	0	109.2	S54 Y55	S52-S54 PolarHBondContact O-N 2.83Å; S52-S54 PolarHBondContact OG-N 3.03Å; S52-Y55 PolarHBondContact O-N 3.06Å
53	S	95.1	Very high	97	Very high	43 Å²	43	48.2 Å²	48.2	30%	0.301	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-56.4	-26	177.6	-61.1	0	0	0	0	112.9	Y55 S73 T74 G89	S53-Y55 PolarHBondContact O-N 3.3Å; S53-S73 CarbonylContact O-C 3.48Å; S53-S73 VanDerWaalsContact O-CA 3.25Å; S53-S73 WeakPolarHBondContact O-CA 3.26Å; S53-T74 WeakPolarHBondContact CA-OG1 3.3Å; S53-T74 WeakPolarHBondContact CB-OG1 3.49Å; S53-T74 PolarHBondContact O-N 3.09Å; S53-T74 PolarHBondContact O-OG1 3.33Å; S53-G89 PolarHBondContact OG-O 3.24Å
54	S	96.7	Very high	97	Very high	65 Å²	65	51.5 Å²	51.5	46%	0.455	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-64.1	-22.6	173.6	-55.7	0	0	0	0	113.8	S52 Y57 S73	S52-S54 PolarHBondContact O-N 2.83Å; S52-S54 PolarHBondContact OG-N 3.03Å; S54-Y57 PolarHBondContact O-OH 3.11Å; S54-S73 PolarHBondContact O-OG 2.81Å
55	Y	96.5	Very high	96.9	Very high	102 Å²	102	52 Å²	52	40%	0.4	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-107.5	6.3	-173	-62.8	-50.3	0	0	0	114.6	S52 S53 Y57 Q113 W114	S52-Y55 PolarHBondContact O-N 3.06Å; S53-Y55 PolarHBondContact O-N 3.3Å; Y55-Y57 VanDerWaalsContact C-CE2 3.49Å; Y55-Y57 VanDerWaalsContact O-CD2 3.32Å; Y55-Y57 WeakPolarHBondContact O-CD2 3.38Å; Y55-Y57 WeakPolarHBondContact O-CE2 3.34Å; Y55-Q113 CarbonylContact O-C 3.59Å; Y55-Q113 VanDerWaalsContact O-CA 3.26Å; Y55-Q113 WeakPolarHBondContact O-CA 3.23Å; Y55-W114 HydrophobicContact CD1-CB 4.13Å; Y55-W114 PolarHBondContact O-N 2.9Å
56	L	97.9	Very high	96.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	130.8	174.2	-167.5	-82.2	0	0	0	110.7	V51 S73 T74 Y94 C111 H112	V51-L56 HydrophobicContact CG1-CB 4.43Å; L56-S73 PolarHBondContact O-N 2.89Å; L56-S73 VanDerWaalsContact O-N 3.15Å; L56-T74 PolarHBondContact O-N 2.82Å; L56-Y94 HydrophobicContact CB-CD1 4Å; L56-Y94 HydrophobicContact CB-CE1 3.75Å; L56-Y94 HydrophobicContact CB-CE2 4.46Å; L56-Y94 HydrophobicContact CB-CG 4.44Å; L56-Y94 HydrophobicContact CD1-CD1 3.84Å; L56-Y94 HydrophobicContact CD1-CE1 4.47Å; L56-Y94 HydrophobicContact CD1-CG 3.91Å; L56-Y94 HydrophobicContact CD2-CD2 4.36Å; L56-Y94 HydrophobicContact CD2-CG 4.44Å; L56-Y94 HydrophobicContact CG-CD1 3.59Å; L56-Y94 HydrophobicContact CG-CD2 3.89Å; L56-Y94 HydrophobicContact CG-CE1 3.83Å; L56-Y94 HydrophobicContact CG-CE2 4.12Å; L56-Y94 HydrophobicContact CG-CG 3.6Å; L56-C111 HydrophobicContact CD2-CB 4.24Å; L56-H112 WeakPolarHBondContact CD2-O 3.42Å
57	Y	98.4	Very high	96.8	Very high	33 Å²	33	57.2 Å²	57.2	13%	0.129	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	152.8	-177.6	-60.4	-103.4	0	0	0	110.1	S54 Y55 L69 I71 Y72 C111 H112 W114	S54-Y57 PolarHBondContact O-OH 3.11Å; Y55-Y57 VanDerWaalsContact C-CE2 3.49Å; Y55-Y57 VanDerWaalsContact O-CD2 3.32Å; Y55-Y57 WeakPolarHBondContact O-CD2 3.38Å; Y55-Y57 WeakPolarHBondContact O-CE2 3.34Å; Y57-L69 HydrophobicContact CD1-CD1 3.78Å; Y57-I71 CarbonylContact C-O 3.58Å; Y57-I71 VanDerWaalsContact CA-O 3.28Å; Y57-I71 WeakPolarHBondContact CA-O 3.46Å; Y57-Y72 VanDerWaalsContact CD1-CB 3.49Å; Y57-Y72 VanDerWaalsContact CE1-CB 3.5Å; Y57-C111 CarbonylContact O-C 3.52Å; Y57-C111 VanDerWaalsContact O-CA 3.24Å; Y57-C111 WeakPolarHBondContact O-CA 3.25Å; Y57-H112 PolarHBondContact N-O 2.69Å; Y57-H112 PolarHBondContact O-N 3.1Å; Y57-W114 HydrophobicContact CE2-CB 4.13Å; Y57-W114 HydrophobicContact CE2-CE3 4.35Å
58	W	98.6	Very high	96.9	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.2	168.4	-70.6	92.4	0	0	0	110.1	L43 C45 W70 I71 L96 F110 C111	L43-W58 HydrophobicContact CB-CH2 4.14Å; L43-W58 HydrophobicContact CB-CZ3 4.37Å; C45-W58 HydrophobicContact CB-CH2 3.69Å; C45-W58 HydrophobicContact CB-CZ2 3.66Å; W58-W70 WeakPolarHBondContact O-CA 3.23Å; W58-W70 WeakPolarHBondContact O-CB 3.08Å; W58-W70 PolarHBondContact O-N 2.03Å; W58-I71 HydrophobicContact CB-CB 4.05Å; W58-I71 HydrophobicContact CB-CG1 4.37Å; W58-I71 PolarHBondContact N-O 2.8Å; W58-I71 PolarHBondContact O-N 2.85Å; W58-I71 VanDerWaalsContact O-N 3.09Å; W58-L96 HydrophobicContact CB-CD1 3.76Å; W58-L96 HydrophobicContact CD2-CB 3.66Å; W58-L96 HydrophobicContact CD2-CD1 3.84Å; W58-L96 HydrophobicContact CD2-CG 4.41Å; W58-L96 HydrophobicContact CE3-CB 3.98Å; W58-L96 HydrophobicContact CE3-CD1 4.02Å; W58-L96 HydrophobicContact CG-CB 4.13Å; W58-L96 HydrophobicContact CG-CD1 3.73Å; W58-L96 HydrophobicContact CH2-CB 4.11Å; W58-L96 HydrophobicContact CZ2-CB 3.81Å; W58-L96 HydrophobicContact CZ3-CB 4.2Å; W58-F110 CarbonylContact C-O 3.58Å; W58-F110 VanDerWaalsContact CA-O 3.32Å; W58-F110 WeakPolarHBondContact CA-O 3.2Å; W58-C111 HydrophobicContact CD2-CB 4.04Å; W58-C111 HydrophobicContact CE3-CB 3.93Å; W58-C111 HydrophobicContact CH2-CB 3.94Å; W58-C111 HydrophobicContact CZ2-CB 4.02Å; W58-C111 HydrophobicContact CZ3-CB 3.89Å
59	Y	98.5	Very high	97	Very high	68 Å²	68	60.9 Å²	60.9	27%	0.267	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.6	176.5	-67.2	-99.5	0	0	0	109.7	P67 K68 L69 Y109 F110 H112	Y59-P67 HydrophobicContact CD1-CB 4.39Å; Y59-K68 CarbonylContact C-O 3.51Å; Y59-K68 WeakPolarHBondContact CA-O 3.28Å; Y59-L69 HydrophobicContact CD1-CB 4.35Å; Y59-L69 HydrophobicContact CE1-CB 4.02Å; Y59-L69 HydrophobicContact CE1-CD1 4.15Å; Y59-L69 HydrophobicContact CE2-CD1 4.37Å; Y59-Y109 CarbonylContact O-C 3.5Å; Y59-Y109 VanDerWaalsContact O-CA 3.28Å; Y59-Y109 WeakPolarHBondContact O-CA 3.44Å; Y59-F110 PolarHBondContact N-O 2.92Å; Y59-F110 PolarHBondContact O-N 3Å; Y59-H112 HydrophobicContact CD2-CB 4.13Å; Y59-H112 HydrophobicContact CE2-CB 3.82Å
60	Q	98.3	Very high	97.2	Very high	14 Å²	14	58.5 Å²	58.5	7%	0.065	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.3	170.5	-173.2	-167.8	58.4	0	0	108.9	P67 K68 W70 A107 S108 Y109	Q60-P67 WeakPolarHBondContact O-CA 3.49Å; Q60-K68 PolarHBondContact N-O 2.89Å; Q60-K68 PolarHBondContact O-N 2.81Å; Q60-W70 HydrophobicContact CB-CB 4.35Å; Q60-W70 HydrophobicContact CB-CD2 3.79Å; Q60-W70 HydrophobicContact CB-CE3 3.63Å; Q60-W70 HydrophobicContact CB-CG 4.12Å; Q60-W70 HydrophobicContact CB-CZ3 4.22Å; Q60-W70 HydrophobicContact CG-CE3 4.43Å; Q60-W70 VanDerWaalsContact OE1-CH2 3.26Å; Q60-A107 HydrophobicContact CG-CB 3.48Å; Q60-A107 VanDerWaalsContact CG-CB 3.48Å; Q60-S108 CarbonylContact C-O 3.55Å; Q60-S108 WeakPolarHBondContact CA-O 3.49Å; Q60-Y109 HydrophobicContact CB-CD1 4.09Å; Q60-Y109 HydrophobicContact CB-CE1 3.84Å; Q60-Y109 HydrophobicContact CG-CD1 4.23Å; Q60-Y109 HydrophobicContact CG-CE1 3.71Å; Q60-Y109 HydrophobicContact CG-CE2 4.48Å; Q60-Y109 PolarHBondContact NE2-OH 3.27Å
61	Q	98.3	Very high	97.4	Very high	61 Å²	61	54.9 Å²	54.9	29%	0.285	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	115.8	172.6	-170	177.2	22.3	0	0	110.4	S65 P67 S108 F110	Q61-S65 VanDerWaalsContact CG-O 3.29Å; Q61-S65 WeakPolarHBondContact CG-O 3.22Å; Q61-S65 PolarHBondContact NE2-O 2.77Å; Q61-P67 HydrophobicContact CB-CG 4.43Å; Q61-P67 HydrophobicContact CG-CG 4.28Å; Q61-S108 PolarHBondContact N-O 3.19Å; Q61-S108 PolarHBondContact O-N 3.46Å; Q61-F110 HydrophobicContact CB-CD2 4.45Å; Q61-F110 HydrophobicContact CB-CE2 3.83Å
62	K	96.9	Very high	97.5	Very high	83 Å²	83	59.2 Å²	59.2	36%	0.361	34%	0.342	S	S	.	.			trans	-81.4	153.8	169.8	-67.5	-170.7	174.2	-167.4	0	110.4	G64 S65 E104 A107	K62-G64 PolarHBondContact O-N 3.38Å; K62-S65 WeakPolarHBondContact O-CB 3.34Å; K62-S65 PolarHBondContact O-N 2.84Å; K62-E104 WeakPolarHBondContact CE-O 3.29Å; K62-E104 PolarHBondContact NZ-O 2.71Å; K62-A107 HydrophobicContact CG-CB 4.11Å
63	P	96.2	Very high	97.6	Very high	120 Å²	120	58 Å²	58	78%	0.779	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	130.9	175.3	-27.4	35.3	0	0	0	112	S65	P63-S65 PolarHBondContact O-N 2.79Å
64	G	96.9	Very high	97.8	Very high	95 Å²	95	56.2 Å²	56.2	98%	0.979	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	2	-179.8	0	0	0	0	0	115.9	K62	K62-G64 PolarHBondContact O-N 3.38Å
65	S	96.9	Very high	97.9	Very high	64 Å²	64	56.5 Å²	56.5	45%	0.448	32%	0.323	S	S	.	.	S	Bend	trans	-106.3	160.7	178	-58.5	0	0	0	0	111.7	Q61 K62 P63	Q61-S65 VanDerWaalsContact CG-O 3.29Å; Q61-S65 WeakPolarHBondContact CG-O 3.22Å; Q61-S65 PolarHBondContact NE2-O 2.77Å; K62-S65 WeakPolarHBondContact O-CB 3.34Å; K62-S65 PolarHBondContact O-N 2.84Å; P63-S65 PolarHBondContact O-N 2.79Å
66	S	97.4	Very high	98	Very high	96 Å²	96	55 Å²	55	67%	0.671	32%	0.321	S	S	*	.			trans	-74.8	154.4	169.3	52.8	0	0	0	0	111.4	K68	S66-K68 PolarHBondContact O-N 2.83Å
67	P	97.9	Very high	98	Very high	68 Å²	68	57.7 Å²	57.7	44%	0.442	34%	0.336	S	S	.	.			trans	-60.3	130.6	171.4	-22.3	33.6	0	0	0	111.4	Y59 Q60 Q61	Y59-P67 HydrophobicContact CD1-CB 4.39Å; Q60-P67 WeakPolarHBondContact O-CA 3.49Å; Q61-P67 HydrophobicContact CB-CG 4.43Å; Q61-P67 HydrophobicContact CG-CG 4.28Å
68	K	98.1	Very high	98	Very high	107 Å²	107	56.8 Å²	56.8	47%	0.465	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.1	175.6	-176.2	-175.8	172.1	-171.9	0	109.6	Y59 Q60 S66 W70	Y59-K68 CarbonylContact C-O 3.51Å; Y59-K68 WeakPolarHBondContact CA-O 3.28Å; Q60-K68 PolarHBondContact N-O 2.89Å; Q60-K68 PolarHBondContact O-N 2.81Å; S66-K68 PolarHBondContact O-N 2.83Å; K68-W70 PolarHBondContact O-N 3.01Å
69	L	98.4	Very high	98	Very high	59 Å²	59	62.3 Å²	62.3	31%	0.309	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	128.7	171.9	178.3	64.2	0	0	0	110.2	Y57 Y59 A78	Y57-L69 HydrophobicContact CD1-CD1 3.78Å; Y59-L69 HydrophobicContact CD1-CB 4.35Å; Y59-L69 HydrophobicContact CE1-CB 4.02Å; Y59-L69 HydrophobicContact CE1-CD1 4.15Å; Y59-L69 HydrophobicContact CE2-CD1 4.37Å; L69-A78 HydrophobicContact CD2-CB 4.43Å; L69-A78 HydrophobicContact CG-CB 4.1Å; L69-A78 WeakPolarHBondContact O-CB 3.36Å
70	W	98.4	Very high	97.9	Very high	16 Å²	16	62.3 Å²	62.3	6%	0.061	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-50.9	-175.4	-152.6	-108.6	0	0	0	111.8	W58 Q60 K68 A78 V81 F85 Y109	W58-W70 WeakPolarHBondContact O-CA 3.23Å; W58-W70 WeakPolarHBondContact O-CB 3.08Å; W58-W70 PolarHBondContact O-N 2.03Å; Q60-W70 HydrophobicContact CB-CB 4.35Å; Q60-W70 HydrophobicContact CB-CD2 3.79Å; Q60-W70 HydrophobicContact CB-CE3 3.63Å; Q60-W70 HydrophobicContact CB-CG 4.12Å; Q60-W70 HydrophobicContact CB-CZ3 4.22Å; Q60-W70 HydrophobicContact CG-CE3 4.43Å; Q60-W70 VanDerWaalsContact OE1-CH2 3.26Å; K68-W70 PolarHBondContact O-N 3.01Å; W70-A78 WeakPolarHBondContact O-CB 3.32Å; W70-A78 PolarHBondContact O-N 2.88Å; W70-V81 HydrophobicContact CD2-CB 4.49Å; W70-V81 HydrophobicContact CD2-CG1 4.11Å; W70-V81 HydrophobicContact CD2-CG2 3.57Å; W70-V81 HydrophobicContact CE3-CG2 3.62Å; W70-V81 HydrophobicContact CG-CG1 4.35Å; W70-V81 HydrophobicContact CG-CG2 4.09Å; W70-V81 HydrophobicContact CH2-CG2 4.17Å; W70-V81 HydrophobicContact CZ2-CB 4.46Å; W70-V81 HydrophobicContact CZ2-CG1 3.94Å; W70-V81 HydrophobicContact CZ2-CG2 4.14Å; W70-V81 HydrophobicContact CZ3-CG2 3.92Å; W70-V81 WeakPolarHBondContact O-CG2 3.42Å; W70-F85 AromaticContact CD1-CD1 3.85Å; W70-F85 HydrophobicContact CZ2-CD2 4.14Å; W70-F85 HydrophobicContact CZ2-CE1 4.26Å; W70-F85 AromaticContact CZ2-CE2 3.74Å; W70-F85 HydrophobicContact CZ2-CE2 3.74Å; W70-F85 AromaticContact CZ2-CZ 3.8Å; W70-F85 HydrophobicContact CZ2-CZ 3.8Å; W70-F85 AromaticContact NE1-CD1 3.09Å; W70-F85 AromaticContact NE1-CD2 3.78Å; W70-F85 AromaticContact NE1-CE1 3.24Å; W70-F85 AromaticContact NE1-CE2 3.94Å; W70-F85 AromaticContact NE1-CG 3.37Å; W70-F85 AromaticContact NE1-CZ 3.69Å; W70-Y109 AromaticContact CD1-CE1 3.99Å; W70-Y109 HydrophobicContact CG-CE1 4.4Å; W70-Y109 AromaticContact NE1-CE1 3.95Å
71	I	98.8	Very high	97.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.4	175	-52.2	-173.8	0	0	0	108.1	Y57 W58 T74 N76 L77 L96	Y57-I71 CarbonylContact C-O 3.58Å; Y57-I71 VanDerWaalsContact CA-O 3.28Å; Y57-I71 WeakPolarHBondContact CA-O 3.46Å; W58-I71 HydrophobicContact CB-CB 4.05Å; W58-I71 HydrophobicContact CB-CG1 4.37Å; W58-I71 PolarHBondContact N-O 2.8Å; W58-I71 PolarHBondContact O-N 2.85Å; W58-I71 VanDerWaalsContact O-N 3.09Å; I71-T74 WeakPolarHBondContact CG2-O 2.99Å; I71-N76 CarbonylContact C-O 3.01Å; I71-N76 VanDerWaalsContact CA-O 3.28Å; I71-N76 WeakPolarHBondContact CA-O 3.48Å; I71-N76 WeakPolarHBondContact CG2-O 3.38Å; I71-L77 HydrophobicContact CD1-CD2 4.01Å; I71-L77 HydrophobicContact CG1-CD2 3.9Å; I71-L96 HydrophobicContact CD1-CD1 3.96Å; I71-L96 HydrophobicContact CD1-CG 4.25Å; I71-L96 HydrophobicContact CG1-CD1 4.45Å
72	Y	98.3	Very high	97.9	Very high	93 Å²	93	61.3 Å²	61.3	37%	0.365	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	155.2	174.7	67.7	-85.2	0	0	0	111.4	Y57 T74 S75 N76	Y57-Y72 VanDerWaalsContact CD1-CB 3.49Å; Y57-Y72 VanDerWaalsContact CE1-CB 3.5Å; Y72-T74 PolarHBondContact O-N 2.8Å; Y72-S75 PolarHBondContact O-N 3.11Å; Y72-N76 HydrophobicContact CD1-CB 3.86Å; Y72-N76 VanDerWaalsContact CD1-O 3.29Å; Y72-N76 WeakPolarHBondContact CD1-O 3.24Å; Y72-N76 HydrophobicContact CD2-CB 3.83Å; Y72-N76 HydrophobicContact CE1-CB 3.52Å; Y72-N76 HydrophobicContact CE2-CB 3.49Å; Y72-N76 VanDerWaalsContact CE2-CB 3.49Å; Y72-N76 WeakPolarHBondContact CE2-ND2 3.32Å; Y72-N76 HydrophobicContact CG-CB 4.01Å; Y72-N76 PolarHBondContact N-O 2.79Å; Y72-N76 WeakPolarHBondContact O-CB 3.39Å; Y72-N76 PolarHBondContact O-N 2.93Å
73	S	97.8	Very high	98	Very high	32 Å²	32	62 Å²	62	22%	0.224	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	48	48.8	-178.7	-55.7	0	0	0	0	112.3	S53 S54 L56 S75	S53-S73 CarbonylContact O-C 3.48Å; S53-S73 VanDerWaalsContact O-CA 3.25Å; S53-S73 WeakPolarHBondContact O-CA 3.26Å; S54-S73 PolarHBondContact O-OG 2.81Å; L56-S73 PolarHBondContact O-N 2.89Å; L56-S73 VanDerWaalsContact O-N 3.15Å; S73-S75 PolarHBondContact O-N 3.34Å
74	T	98.4	Very high	98.1	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.031	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	-43.6	-179.5	-58.3	0	0	0	0	116.5	S53 L56 I71 Y72 G87 G89 Y94	S53-T74 WeakPolarHBondContact CA-OG1 3.3Å; S53-T74 WeakPolarHBondContact CB-OG1 3.49Å; S53-T74 PolarHBondContact O-N 3.09Å; S53-T74 PolarHBondContact O-OG1 3.33Å; L56-T74 PolarHBondContact O-N 2.82Å; I71-T74 WeakPolarHBondContact CG2-O 2.99Å; Y72-T74 PolarHBondContact O-N 2.8Å; T74-G87 CarbonylContact O-C 3.52Å; T74-G87 WeakPolarHBondContact O-CA 3.39Å; T74-G89 WeakPolarHBondContact CG2-O 3Å; T74-Y94 HydrophobicContact CG2-CD1 3.86Å; T74-Y94 HydrophobicContact CG2-CE1 4.1Å; T74-Y94 WeakPolarHBondContact OG1-CE1 3.26Å
75	S	98.3	Very high	98.2	Very high	71 Å²	71	53.8 Å²	53.8	50%	0.497	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.6	-9.7	-167.1	59	0	0	0	0	115.2	Y72 S73 G87	Y72-S75 PolarHBondContact O-N 3.11Å; S73-S75 PolarHBondContact O-N 3.34Å; S75-G87 WeakPolarHBondContact CB-O 3.33Å
76	N	98.6	Very high	98.3	Very high	70 Å²	70	53.5 Å²	53.5	37%	0.374	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.7	-177.5	-60	-39.1	0	0	0	110.7	I71 Y72	I71-N76 CarbonylContact C-O 3.01Å; I71-N76 VanDerWaalsContact CA-O 3.28Å; I71-N76 WeakPolarHBondContact CA-O 3.48Å; I71-N76 WeakPolarHBondContact CG2-O 3.38Å; Y72-N76 HydrophobicContact CD1-CB 3.86Å; Y72-N76 VanDerWaalsContact CD1-O 3.29Å; Y72-N76 WeakPolarHBondContact CD1-O 3.24Å; Y72-N76 HydrophobicContact CD2-CB 3.83Å; Y72-N76 HydrophobicContact CE1-CB 3.52Å; Y72-N76 HydrophobicContact CE2-CB 3.49Å; Y72-N76 VanDerWaalsContact CE2-CB 3.49Å; Y72-N76 WeakPolarHBondContact CE2-ND2 3.32Å; Y72-N76 HydrophobicContact CG-CB 4.01Å; Y72-N76 PolarHBondContact N-O 2.79Å; Y72-N76 WeakPolarHBondContact O-CB 3.39Å; Y72-N76 PolarHBondContact O-N 2.93Å
77	L	98.7	Very high	98.3	Very high	57 Å²	57	49.4 Å²	49.4	30%	0.298	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	133.6	177.1	-60.5	-176.6	0	0	0	110.8	I71 V81 F85	I71-L77 HydrophobicContact CD1-CD2 4.01Å; I71-L77 HydrophobicContact CG1-CD2 3.9Å; L77-V81 HydrophobicContact CB-CB 4.25Å; L77-V81 HydrophobicContact CB-CG1 4.37Å; L77-V81 HydrophobicContact CD1-CG1 4.48Å; L77-V81 HydrophobicContact CD2-CG1 3.96Å; L77-V81 HydrophobicContact CG-CG1 4.5Å; L77-F85 HydrophobicContact CD2-CB 4.02Å
78	A	98.5	Very high	98.4	Very high	14 Å²	14	49 Å²	49	12%	0.116	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-68.4	162.7	171.2	0	0	0	0	0	111.3	L69 W70 G80 V81	L69-A78 HydrophobicContact CD2-CB 4.43Å; L69-A78 HydrophobicContact CG-CB 4.1Å; L69-A78 WeakPolarHBondContact O-CB 3.36Å; W70-A78 WeakPolarHBondContact O-CB 3.32Å; W70-A78 PolarHBondContact O-N 2.88Å; A78-G80 PolarHBondContact O-N 3.05Å; A78-V81 HydrophobicContact CB-CG2 4.07Å; A78-V81 WeakPolarHBondContact O-CB 3.28Å; A78-V81 WeakPolarHBondContact O-CG2 3.43Å; A78-V81 PolarHBondContact O-N 3.24Å; A78-V81 VanDerWaalsContact O-N 3.11Å
79	S	98.2	Very high	98.4	Very high	115 Å²	115	45.4 Å²	45.4	80%	0.804	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	131.1	-179.7	-173.5	0	0	0	0	112.4	V81	S79-V81 VanDerWaalsContact C-N 3.3Å
80	G	97.6	Very high	98.3	Very high	68 Å²	68	46.4 Å²	46.4	70%	0.701	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	5.4	-178.4	0	0	0	0	0	115	A78	A78-G80 PolarHBondContact O-N 3.05Å
81	V	98.3	Very high	98.3	Very high	15 Å²	15	46.8 Å²	46.8	9%	0.091	32%	0.323	C	S	.	.			trans	-81.3	126.9	173.6	176	0	0	0	0	110	W70 L77 A78 S79 F85	W70-V81 HydrophobicContact CD2-CB 4.49Å; W70-V81 HydrophobicContact CD2-CG1 4.11Å; W70-V81 HydrophobicContact CD2-CG2 3.57Å; W70-V81 HydrophobicContact CE3-CG2 3.62Å; W70-V81 HydrophobicContact CG-CG1 4.35Å; W70-V81 HydrophobicContact CG-CG2 4.09Å; W70-V81 HydrophobicContact CH2-CG2 4.17Å; W70-V81 HydrophobicContact CZ2-CB 4.46Å; W70-V81 HydrophobicContact CZ2-CG1 3.94Å; W70-V81 HydrophobicContact CZ2-CG2 4.14Å; W70-V81 HydrophobicContact CZ3-CG2 3.92Å; W70-V81 WeakPolarHBondContact O-CG2 3.42Å; L77-V81 HydrophobicContact CB-CB 4.25Å; L77-V81 HydrophobicContact CB-CG1 4.37Å; L77-V81 HydrophobicContact CD1-CG1 4.48Å; L77-V81 HydrophobicContact CD2-CG1 3.96Å; L77-V81 HydrophobicContact CG-CG1 4.5Å; A78-V81 HydrophobicContact CB-CG2 4.07Å; A78-V81 WeakPolarHBondContact O-CB 3.28Å; A78-V81 WeakPolarHBondContact O-CG2 3.43Å; A78-V81 PolarHBondContact O-N 3.24Å; A78-V81 VanDerWaalsContact O-N 3.11Å; S79-V81 VanDerWaalsContact C-N 3.3Å; V81-F85 HydrophobicContact CG1-CB 3.85Å; V81-F85 HydrophobicContact CG1-CD2 3.96Å; V81-F85 HydrophobicContact CG1-CG 4.01Å
82	P	98.4	Very high	98.2	Very high	40 Å²	40	50.2 Å²	50.2	26%	0.26	34%	0.344	S	S	.	.			trans	-61.7	147	-179.4	-26.5	36.3	0	0	0	113.7	R84 F85	P82-R84 HydrophobicContact CB-CG 3.71Å; P82-R84 PolarHBondContact O-N 2.98Å; P82-F85 HydrophobicContact CB-CD2 4.08Å; P82-F85 HydrophobicContact CB-CE2 4.31Å; P82-F85 HydrophobicContact CG-CD2 4.3Å; P82-F85 HydrophobicContact CG-CE2 4.17Å; P82-F85 WeakPolarHBondContact O-CD2 3.44Å; P82-F85 PolarHBondContact O-N 2.88Å
83	A	98.3	Very high	98.2	Very high	96 Å²	96	49 Å²	49	79%	0.793	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-11.8	179.7	0	0	0	0	0	114.5	F85	A83-F85 PolarHBondContact O-N 2.81Å
84	R	98.3	Very high	98.3	Very high	39 Å²	39	47.6 Å²	47.6	15%	0.147	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.3	170.3	55.4	164.8	-177.3	-84.4	4.9	113	P82 I98 S99 S100 E102 E104 D105	P82-R84 HydrophobicContact CB-CG 3.71Å; P82-R84 PolarHBondContact O-N 2.98Å; R84-I98 WeakPolarHBondContact O-CA 3.26Å; R84-S99 WeakPolarHBondContact CA-OG 3.44Å; R84-S99 WeakPolarHBondContact CB-OG 3.32Å; R84-S99 PolarHBondContact O-N 2.93Å; R84-S99 PolarHBondContact O-OG 3.04Å; R84-S100 WeakPolarHBondContact CD-O 3.28Å; R84-E102 IonicContact CZ-OE1 2.83Å; R84-E102 IonicContact CZ-OE2 2.93Å; R84-E102 IonicContact NE-OE1 2.89Å; R84-E102 IonicContact NE-OE2 3.41Å; R84-E102 IonicContact NH1-OE1 3.85Å; R84-E102 PolarHBondContact NH1-OE1 2.94Å; R84-E102 IonicContact NH1-OE2 2.72Å; R84-E102 PolarHBondContact NH1-OE2 2.83Å; R84-E102 IonicContact NH2-OE2 2.84Å; R84-E102 PolarHBondContact NH2-OE2 3.01Å; R84-E104 IonicContact NH2-OE1 3.58Å; R84-D105 IonicContact CZ-OD1 2.83Å; R84-D105 IonicContact CZ-OD2 3.43Å; R84-D105 IonicContact NE-OD1 3.57Å; R84-D105 PolarHBondContact NE-OD1 2.84Å; R84-D105 IonicContact NE-OD2 3.55Å; R84-D105 PolarHBondContact NE-OD2 2.68Å; R84-D105 IonicContact NH2-OD1 3.84Å; R84-D105 PolarHBondContact NH2-OD1 3.25Å; R84-D105 IonicContact NH2-OD2 3.46Å; R84-D105 PolarHBondContact NH2-OD2 2.83Å
85	F	98.7	Very high	98.3	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.018	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	144.9	174.1	-69.1	-92	0	0	0	111	W70 L77 V81 P82 A83 L96 T97 I98 D105 Y109	W70-F85 AromaticContact CD1-CD1 3.85Å; W70-F85 HydrophobicContact CZ2-CD2 4.14Å; W70-F85 HydrophobicContact CZ2-CE1 4.26Å; W70-F85 AromaticContact CZ2-CE2 3.74Å; W70-F85 HydrophobicContact CZ2-CE2 3.74Å; W70-F85 AromaticContact CZ2-CZ 3.8Å; W70-F85 HydrophobicContact CZ2-CZ 3.8Å; W70-F85 AromaticContact NE1-CD1 3.09Å; W70-F85 AromaticContact NE1-CD2 3.78Å; W70-F85 AromaticContact NE1-CE1 3.24Å; W70-F85 AromaticContact NE1-CE2 3.94Å; W70-F85 AromaticContact NE1-CG 3.37Å; W70-F85 AromaticContact NE1-CZ 3.69Å; L77-F85 HydrophobicContact CD2-CB 4.02Å; V81-F85 HydrophobicContact CG1-CB 3.85Å; V81-F85 HydrophobicContact CG1-CD2 3.96Å; V81-F85 HydrophobicContact CG1-CG 4.01Å; P82-F85 HydrophobicContact CB-CD2 4.08Å; P82-F85 HydrophobicContact CB-CE2 4.31Å; P82-F85 HydrophobicContact CG-CD2 4.3Å; P82-F85 HydrophobicContact CG-CE2 4.17Å; P82-F85 WeakPolarHBondContact O-CD2 3.44Å; P82-F85 PolarHBondContact O-N 2.88Å; A83-F85 PolarHBondContact O-N 2.81Å; F85-L96 HydrophobicContact CD1-CD2 4.42Å; F85-T97 CarbonylContact C-O 3.6Å; F85-T97 VanDerWaalsContact CA-O 3.32Å; F85-T97 WeakPolarHBondContact CA-O 3.32Å; F85-I98 HydrophobicContact CD1-CB 4.48Å; F85-I98 HydrophobicContact CD1-CD1 4.26Å; F85-I98 HydrophobicContact CD1-CG1 3.75Å; F85-I98 HydrophobicContact CD1-CG2 4.43Å; F85-I98 HydrophobicContact CE1-CB 4.31Å; F85-I98 HydrophobicContact CE1-CD1 3.46Å; F85-I98 VanDerWaalsContact CE1-CD1 3.46Å; F85-I98 HydrophobicContact CE1-CG1 3.45Å; F85-I98 VanDerWaalsContact CE1-CG1 3.45Å; F85-I98 HydrophobicContact CE1-CG2 4.07Å; F85-I98 HydrophobicContact CE2-CG2 4.44Å; F85-I98 HydrophobicContact CZ-CD1 4.03Å; F85-I98 HydrophobicContact CZ-CG1 4.24Å; F85-I98 HydrophobicContact CZ-CG2 4.07Å; F85-D105 HydrophobicContact CZ-CB 4.2Å; F85-D105 WeakPolarHBondContact CZ-OD1 3.32Å; F85-Y109 HydrophobicContact CE1-CE1 4.02Å; F85-Y109 AromaticContact CE1-CZ 3.94Å; F85-Y109 VanDerWaalsContact CE1-OH 3.31Å; F85-Y109 WeakPolarHBondContact CE1-OH 3.47Å; F85-Y109 WeakPolarHBondContact CZ-OH 3.36Å
86	S	98.7	Very high	98.3	Very high	58 Å²	58	44.9 Å²	44.9	41%	0.406	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	152.7	168.3	53.6	0	0	0	0	110.5	L96 T97	S86-L96 CarbonylContact O-C 3.5Å; S86-L96 WeakPolarHBondContact O-CA 3.35Å; S86-T97 PolarHBondContact N-O 2.85Å; S86-T97 PolarHBondContact O-N 2.98Å
87	G	98.6	Very high	98.3	Very high	11 Å²	11	42.3 Å²	42.3	11%	0.113	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.6	172.9	0	0	0	0	0	110	T74 S75 S95	T74-G87 CarbonylContact O-C 3.52Å; T74-G87 WeakPolarHBondContact O-CA 3.39Å; S75-G87 WeakPolarHBondContact CB-O 3.33Å; G87-S95 VanDerWaalsContact CA-O 3.3Å; G87-S95 WeakPolarHBondContact CA-O 3.35Å
88	S	98.4	Very high	98.3	Very high	60 Å²	60	39.7 Å²	39.7	42%	0.42	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	161.9	179.8	70.3	0	0	0	0	111.1	Y94 S95	S88-Y94 CarbonylContact O-C 3.15Å; S88-Y94 VanDerWaalsContact O-CA 3.28Å; S88-Y94 WeakPolarHBondContact O-CA 3.13Å; S88-S95 PolarHBondContact N-O 2.84Å; S88-S95 PolarHBondContact O-N 3.21Å; S88-S95 PolarHBondContact OG-OG 2.83Å
89	G	98	Very high	98.3	Very high	31 Å²	31	42.1 Å²	42.1	32%	0.32	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	130.6	173.1	174.9	0	0	0	0	0	114.8	S53 T74 S93	S53-G89 PolarHBondContact OG-O 3.24Å; T74-G89 WeakPolarHBondContact CG2-O 3Å; G89-S93 CarbonylContact C-O 3.53Å; G89-S93 WeakPolarHBondContact CA-O 3.27Å
90	S	97.9	Very high	98.3	Very high	80 Å²	80	38.8 Å²	38.8	56%	0.559	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-166.5	161.6	177	58.5	0	0	0	0	109.9	T92 S93	S90-T92 PolarHBondContact O-N 2.84Å; S90-S93 PolarHBondContact N-O 2.9Å; S90-S93 PolarHBondContact O-N 2.87Å
91	G	97	Very high	98.3	Very high	23 Å²	23	36.9 Å²	36.9	24%	0.237	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	64	-107.6	178.7	0	0	0	0	0	111.3	S50 V51 Y94	S50-G91 WeakPolarHBondContact CA-O 3.49Å; S50-G91 WeakPolarHBondContact OG-CA 3.28Å; V51-G91 PolarHBondContact N-O 3.49Å; G91-Y94 WeakPolarHBondContact O-CE2 3.44Å; G91-Y94 PolarHBondContact O-OH 3.23Å
92	T	97.8	Very high	98.3	Very high	73 Å²	73	39.4 Å²	39.4	45%	0.448	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-1.4	-175.1	55.5	0	0	0	0	114	S46 A47 S90	S46-T92 CarbonylContact C-O 3.55Å; S46-T92 VanDerWaalsContact CA-O 3.27Å; S46-T92 WeakPolarHBondContact CA-O 3.42Å; A47-T92 PolarHBondContact N-O 2.93Å; A47-T92 WeakPolarHBondContact O-CB 3.35Å; S90-T92 PolarHBondContact O-N 2.84Å
93	S	98.5	Very high	98.2	Very high	68 Å²	68	41.6 Å²	41.6	48%	0.476	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	123.5	-172.3	-170.5	0	0	0	0	111.9	G89 S90	G89-S93 CarbonylContact C-O 3.53Å; G89-S93 WeakPolarHBondContact CA-O 3.27Å; S90-S93 PolarHBondContact N-O 2.9Å; S90-S93 PolarHBondContact O-N 2.87Å
94	Y	98.7	Very high	98.1	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	157.2	-179	-60.4	-87.9	0	0	0	111.2	T44 C45 V51 L56 T74 S88 G91	T44-Y94 CarbonylContact C-O 3.57Å; T44-Y94 WeakPolarHBondContact CA-O 3.43Å; C45-Y94 PolarHBondContact N-O 3.15Å; C45-Y94 PolarHBondContact O-N 2.85Å; V51-Y94 HydrophobicContact CB-CE2 4.16Å; V51-Y94 WeakPolarHBondContact CB-OH 3.44Å; V51-Y94 PolarHBondContact O-OH 2.96Å; L56-Y94 HydrophobicContact CB-CD1 4Å; L56-Y94 HydrophobicContact CB-CE1 3.75Å; L56-Y94 HydrophobicContact CB-CE2 4.46Å; L56-Y94 HydrophobicContact CB-CG 4.44Å; L56-Y94 HydrophobicContact CD1-CD1 3.84Å; L56-Y94 HydrophobicContact CD1-CE1 4.47Å; L56-Y94 HydrophobicContact CD1-CG 3.91Å; L56-Y94 HydrophobicContact CD2-CD2 4.36Å; L56-Y94 HydrophobicContact CD2-CG 4.44Å; L56-Y94 HydrophobicContact CG-CD1 3.59Å; L56-Y94 HydrophobicContact CG-CD2 3.89Å; L56-Y94 HydrophobicContact CG-CE1 3.83Å; L56-Y94 HydrophobicContact CG-CE2 4.12Å; L56-Y94 HydrophobicContact CG-CG 3.6Å; T74-Y94 HydrophobicContact CG2-CD1 3.86Å; T74-Y94 HydrophobicContact CG2-CE1 4.1Å; T74-Y94 WeakPolarHBondContact OG1-CE1 3.26Å; S88-Y94 CarbonylContact O-C 3.15Å; S88-Y94 VanDerWaalsContact O-CA 3.28Å; S88-Y94 WeakPolarHBondContact O-CA 3.13Å; G91-Y94 WeakPolarHBondContact O-CE2 3.44Å; G91-Y94 PolarHBondContact O-OH 3.23Å
95	S	98.6	Very high	98.1	Very high	19 Å²	19	39.8 Å²	39.8	13%	0.133	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	152.1	173.4	65.4	0	0	0	0	112.5	L43 G87 S88	L43-S95 CarbonylContact O-C 3.55Å; L43-S95 WeakPolarHBondContact O-CA 3.48Å; L43-S95 VanDerWaalsContact O-CB 3.23Å; L43-S95 WeakPolarHBondContact O-CB 3.15Å; G87-S95 VanDerWaalsContact CA-O 3.3Å; G87-S95 WeakPolarHBondContact CA-O 3.35Å; S88-S95 PolarHBondContact N-O 2.84Å; S88-S95 PolarHBondContact O-N 3.21Å; S88-S95 PolarHBondContact OG-OG 2.83Å
96	L	98.7	Very high	98	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.4	164.2	174.6	147.4	0	0	0	107.4	T42 L43 W58 I71 F85 S86 I98 Y109	T42-L96 CarbonylContact C-O 3.57Å; T42-L96 WeakPolarHBondContact CA-O 3.31Å; L43-L96 HydrophobicContact CD1-CD2 4.21Å; L43-L96 PolarHBondContact N-O 3.4Å; L43-L96 PolarHBondContact O-N 3.04Å; W58-L96 HydrophobicContact CB-CD1 3.76Å; W58-L96 HydrophobicContact CD2-CB 3.66Å; W58-L96 HydrophobicContact CD2-CD1 3.84Å; W58-L96 HydrophobicContact CD2-CG 4.41Å; W58-L96 HydrophobicContact CE3-CB 3.98Å; W58-L96 HydrophobicContact CE3-CD1 4.02Å; W58-L96 HydrophobicContact CG-CB 4.13Å; W58-L96 HydrophobicContact CG-CD1 3.73Å; W58-L96 HydrophobicContact CH2-CB 4.11Å; W58-L96 HydrophobicContact CZ2-CB 3.81Å; W58-L96 HydrophobicContact CZ3-CB 4.2Å; I71-L96 HydrophobicContact CD1-CD1 3.96Å; I71-L96 HydrophobicContact CD1-CG 4.25Å; I71-L96 HydrophobicContact CG1-CD1 4.45Å; F85-L96 HydrophobicContact CD1-CD2 4.42Å; S86-L96 CarbonylContact O-C 3.5Å; S86-L96 WeakPolarHBondContact O-CA 3.35Å; L96-I98 HydrophobicContact CD2-CD1 4.45Å; L96-I98 HydrophobicContact CD2-CG1 3.98Å; L96-Y109 HydrophobicContact CD1-CD1 3.91Å; L96-Y109 HydrophobicContact CD1-CE1 4.34Å; L96-Y109 HydrophobicContact CD2-CD1 4.33Å; L96-Y109 HydrophobicContact CD2-CE1 4.5Å
97	T	98.7	Very high	97.9	Very high	17 Å²	17	41.6 Å²	41.6	10%	0.104	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.1	179.6	-66.4	0	0	0	0	110.1	K40 V41 T42 F85 S86	K40-T97 HydrophobicContact CD-CG2 4.45Å; K40-T97 VanDerWaalsContact CE-CG2 3.45Å; K40-T97 HydrophobicContact CG-CG2 4.21Å; V41-T97 CarbonylContact O-C 3.52Å; V41-T97 VanDerWaalsContact O-CA 3.26Å; V41-T97 WeakPolarHBondContact O-CA 3.08Å; T42-T97 PolarHBondContact OG1-OG1 2.9Å; T42-T97 VanDerWaalsContact OG1-OG1 3.11Å; F85-T97 CarbonylContact C-O 3.6Å; F85-T97 VanDerWaalsContact CA-O 3.32Å; F85-T97 WeakPolarHBondContact CA-O 3.32Å; S86-T97 PolarHBondContact N-O 2.85Å; S86-T97 PolarHBondContact O-N 2.98Å
98	I	98.5	Very high	97.9	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	113.3	169.1	-41.4	-178.9	0	0	0	105.6	K40 V41 R84 F85 L96 S100 M101 D105	K40-I98 CarbonylContact C-O 3.56Å; K40-I98 WeakPolarHBondContact CA-O 3.34Å; V41-I98 HydrophobicContact CB-CB 4.21Å; V41-I98 HydrophobicContact CB-CD1 4.41Å; V41-I98 HydrophobicContact CB-CG1 4.35Å; V41-I98 HydrophobicContact CG1-CD1 4.05Å; V41-I98 HydrophobicContact CG1-CG1 4.16Å; V41-I98 PolarHBondContact N-O 2.9Å; V41-I98 PolarHBondContact O-N 3.08Å; R84-I98 WeakPolarHBondContact O-CA 3.26Å; F85-I98 HydrophobicContact CD1-CB 4.48Å; F85-I98 HydrophobicContact CD1-CD1 4.26Å; F85-I98 HydrophobicContact CD1-CG1 3.75Å; F85-I98 HydrophobicContact CD1-CG2 4.43Å; F85-I98 HydrophobicContact CE1-CB 4.31Å; F85-I98 HydrophobicContact CE1-CD1 3.46Å; F85-I98 VanDerWaalsContact CE1-CD1 3.46Å; F85-I98 HydrophobicContact CE1-CG1 3.45Å; F85-I98 VanDerWaalsContact CE1-CG1 3.45Å; F85-I98 HydrophobicContact CE1-CG2 4.07Å; F85-I98 HydrophobicContact CE2-CG2 4.44Å; F85-I98 HydrophobicContact CZ-CD1 4.03Å; F85-I98 HydrophobicContact CZ-CG1 4.24Å; F85-I98 HydrophobicContact CZ-CG2 4.07Å; L96-I98 HydrophobicContact CD2-CD1 4.45Å; L96-I98 HydrophobicContact CD2-CG1 3.98Å; I98-S100 VanDerWaalsContact C-N 3.33Å; I98-M101 HydrophobicContact CD1-SD 3.81Å; I98-D105 HydrophobicContact CD1-CB 4.47Å
99	S	98.5	Very high	97.9	Very high	65 Å²	65	42.2 Å²	42.2	46%	0.455	29%	0.287	S	S	.	.	S	Bend	trans	-71.4	-29.3	-174	61	0	0	0	0	113.3	R84	R84-S99 WeakPolarHBondContact CA-OG 3.44Å; R84-S99 WeakPolarHBondContact CB-OG 3.32Å; R84-S99 PolarHBondContact O-N 2.93Å; R84-S99 PolarHBondContact O-OG 3.04Å
100	S	98.3	Very high	97.9	Very high	45 Å²	45	44.7 Å²	44.7	32%	0.315	29%	0.289	S	S	.	.	S	Bend	trans	-146.9	104.6	178	171.4	0	0	0	0	108.3	R84 I98	R84-S100 WeakPolarHBondContact CD-O 3.28Å; I98-S100 VanDerWaalsContact C-N 3.33Å
101	M	97.9	Very high	97.9	Very high	28 Å²	28	41.6 Å²	41.6	14%	0.138	27%	0.267	C	S	.	.			trans	-63.2	137.9	-179.3	-169.2	70.5	-178.8	0	0	111.6	A35 P37 G38 E39 V41 I98 D105	A35-M101 HydrophobicContact CB-CB 4.46Å; A35-M101 HydrophobicContact CB-CG 4.11Å; P37-M101 CarbonylContact C-O 3.49Å; P37-M101 VanDerWaalsContact CA-O 3.3Å; P37-M101 WeakPolarHBondContact CA-O 3.34Å; G38-M101 PolarHBondContact N-O 2.83Å; E39-M101 WeakPolarHBondContact O-CB 3.19Å; E39-M101 PolarHBondContact O-N 2.84Å; V41-M101 HydrophobicContact CG2-SD 4.23Å; I98-M101 HydrophobicContact CD1-SD 3.81Å; M101-D105 HydrophobicContact CE-CB 3.69Å; M101-D105 HydrophobicContact SD-CB 3.79Å
102	E	98	Very high	97.8	Very high	68 Å²	68	44.8 Å²	44.8	32%	0.318	28%	0.276	S	S	.	.			trans	-122.7	163.2	171.2	-66.4	171.4	-160.9	0	0	111.1	R84 E104 D105	R84-E102 IonicContact CZ-OE1 2.83Å; R84-E102 IonicContact CZ-OE2 2.93Å; R84-E102 IonicContact NE-OE1 2.89Å; R84-E102 IonicContact NE-OE2 3.41Å; R84-E102 IonicContact NH1-OE1 3.85Å; R84-E102 PolarHBondContact NH1-OE1 2.94Å; R84-E102 IonicContact NH1-OE2 2.72Å; R84-E102 PolarHBondContact NH1-OE2 2.83Å; R84-E102 IonicContact NH2-OE2 2.84Å; R84-E102 PolarHBondContact NH2-OE2 3.01Å; E102-E104 VanDerWaalsContact C-N 3.27Å; E102-E104 HydrophobicContact CB-CG 4.39Å; E102-E104 WeakPolarHBondContact CB-OE2 3.34Å; E102-E104 PolarHBondContact O-N 3.42Å; E102-D105 PolarHBondContact N-OD2 3.02Å; E102-D105 WeakPolarHBondContact O-CB 3.33Å; E102-D105 PolarHBondContact O-N 2.8Å; E102-D105 VanDerWaalsContact O-N 3.08Å
103	A	96.1	Very high	97.7	Very high	85 Å²	85	42 Å²	42	70%	0.702	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-63.1	-34.1	-174.5	0	0	0	0	0	112.3	D105 A106	A103-D105 PolarHBondContact O-N 3.35Å; A103-A106 WeakPolarHBondContact O-CB 3.47Å; A103-A106 PolarHBondContact O-N 3.04Å
104	E	96.2	Very high	97.4	Very high	95 Å²	95	45.1 Å²	45.1	44%	0.444	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-71.7	-12.1	177	64.7	-98.5	-131	0	0	114.7	K62 R84 E102 A106	K62-E104 WeakPolarHBondContact CE-O 3.29Å; K62-E104 PolarHBondContact NZ-O 2.71Å; R84-E104 IonicContact NH2-OE1 3.58Å; E102-E104 VanDerWaalsContact C-N 3.27Å; E102-E104 HydrophobicContact CB-CG 4.39Å; E102-E104 WeakPolarHBondContact CB-OE2 3.34Å; E102-E104 PolarHBondContact O-N 3.42Å; E104-A106 VanDerWaalsContact C-N 3.25Å
105	D	97.4	Very high	96.9	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.016	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-81.8	-8.1	179.4	-60.7	-28.9	0	0	0	111.5	R84 F85 I98 M101 E102 A103 A107 Y109	R84-D105 IonicContact CZ-OD1 2.83Å; R84-D105 IonicContact CZ-OD2 3.43Å; R84-D105 IonicContact NE-OD1 3.57Å; R84-D105 PolarHBondContact NE-OD1 2.84Å; R84-D105 IonicContact NE-OD2 3.55Å; R84-D105 PolarHBondContact NE-OD2 2.68Å; R84-D105 IonicContact NH2-OD1 3.84Å; R84-D105 PolarHBondContact NH2-OD1 3.25Å; R84-D105 IonicContact NH2-OD2 3.46Å; R84-D105 PolarHBondContact NH2-OD2 2.83Å; F85-D105 HydrophobicContact CZ-CB 4.2Å; F85-D105 WeakPolarHBondContact CZ-OD1 3.32Å; I98-D105 HydrophobicContact CD1-CB 4.47Å; M101-D105 HydrophobicContact CE-CB 3.69Å; M101-D105 HydrophobicContact SD-CB 3.79Å; E102-D105 PolarHBondContact N-OD2 3.02Å; E102-D105 WeakPolarHBondContact O-CB 3.33Å; E102-D105 PolarHBondContact O-N 2.8Å; E102-D105 VanDerWaalsContact O-N 3.08Å; A103-D105 PolarHBondContact O-N 3.35Å; D105-A107 PolarHBondContact O-N 3.26Å; D105-Y109 PolarHBondContact O-OH 3.28Å
106	A	96.7	Very high	96.2	Very high	69 Å²	69	48.3 Å²	48.3	57%	0.57	28%	0.281	S	S	*	.			trans	-61.8	101.4	172.6	0	0	0	0	0	110.9	A103 E104	A103-A106 WeakPolarHBondContact O-CB 3.47Å; A103-A106 PolarHBondContact O-N 3.04Å; E104-A106 VanDerWaalsContact C-N 3.25Å
107	A	97.6	Very high	95.2	Very high	30 Å²	30	56.3 Å²	56.3	25%	0.248	31%	0.313	C	S	.	.	S	Bend	trans	-161.2	168.4	-176.1	0	0	0	0	0	110.7	Q60 K62 D105 Y109	Q60-A107 HydrophobicContact CG-CB 3.48Å; Q60-A107 VanDerWaalsContact CG-CB 3.48Å; K62-A107 HydrophobicContact CG-CB 4.11Å; D105-A107 PolarHBondContact O-N 3.26Å; A107-Y109 HydrophobicContact CB-CE2 4.08Å
108	S	98.1	Very high	93.8	Very high	64 Å²	64	59.6 Å²	59.6	45%	0.448	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	137	165.8	-61	0	0	0	0	109.9	Q60 Q61	Q60-S108 CarbonylContact C-O 3.55Å; Q60-S108 WeakPolarHBondContact CA-O 3.49Å; Q61-S108 PolarHBondContact N-O 3.19Å; Q61-S108 PolarHBondContact O-N 3.46Å
109	Y	98.3	Very high	92	Very high	20 Å²	20	66.8 Å²	66.8	8%	0.078	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.9	176.8	-68.6	-93.4	0	0	0	110.8	Q28 L43 Y59 Q60 W70 F85 L96 D105 A107	Q28-Y109 PolarHBondContact NE2-O 2.86Å; L43-Y109 HydrophobicContact CD1-CD2 4.07Å; L43-Y109 HydrophobicContact CD1-CG 3.98Å; Y59-Y109 CarbonylContact O-C 3.5Å; Y59-Y109 VanDerWaalsContact O-CA 3.28Å; Y59-Y109 WeakPolarHBondContact O-CA 3.44Å; Q60-Y109 HydrophobicContact CB-CD1 4.09Å; Q60-Y109 HydrophobicContact CB-CE1 3.84Å; Q60-Y109 HydrophobicContact CG-CD1 4.23Å; Q60-Y109 HydrophobicContact CG-CE1 3.71Å; Q60-Y109 HydrophobicContact CG-CE2 4.48Å; Q60-Y109 PolarHBondContact NE2-OH 3.27Å; W70-Y109 AromaticContact CD1-CE1 3.99Å; W70-Y109 HydrophobicContact CG-CE1 4.4Å; W70-Y109 AromaticContact NE1-CE1 3.95Å; F85-Y109 HydrophobicContact CE1-CE1 4.02Å; F85-Y109 AromaticContact CE1-CZ 3.94Å; F85-Y109 VanDerWaalsContact CE1-OH 3.31Å; F85-Y109 WeakPolarHBondContact CE1-OH 3.47Å; F85-Y109 WeakPolarHBondContact CZ-OH 3.36Å; L96-Y109 HydrophobicContact CD1-CD1 3.91Å; L96-Y109 HydrophobicContact CD1-CE1 4.34Å; L96-Y109 HydrophobicContact CD2-CD1 4.33Å; L96-Y109 HydrophobicContact CD2-CE1 4.5Å; D105-Y109 PolarHBondContact O-OH 3.28Å; A107-Y109 HydrophobicContact CB-CE2 4.08Å
110	F	98	Very high	91.7	Very high	83 Å²	83	66.9 Å²	66.9	36%	0.364	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.5	-175.8	-53.4	-75.4	0	0	0	111.2	Q28 W58 Y59 Q61	Q28-F110 VanDerWaalsContact OE1-CA 3.28Å; W58-F110 CarbonylContact C-O 3.58Å; W58-F110 VanDerWaalsContact CA-O 3.32Å; W58-F110 WeakPolarHBondContact CA-O 3.2Å; Y59-F110 PolarHBondContact N-O 2.92Å; Y59-F110 PolarHBondContact O-N 3Å; Q61-F110 HydrophobicContact CB-CD2 4.45Å; Q61-F110 HydrophobicContact CB-CE2 3.83Å
111	C	97.8	Very high	91.4	Very high	15 Å²	15	68.1 Å²	68.1	10%	0.101	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	144.2	166.5	67	0	0	0	0	110.3	L26 Q28 C45 L56 Y57 W58	L26-C111 HydrophobicContact CD1-CB 4.48Å; L26-C111 WeakPolarHBondContact CD1-O 3.45Å; Q28-C111 PolarHBondContact OE1-SG 2.98Å; C45-C111 HydrophobicContact CB-CB 3.51Å; C45-C111 WeakPolarHBondContact CB-SG 3.46Å; C45-C111 WeakPolarHBondContact SG-CB 3.36Å; C45-C111 CovalentContact SG-SG 2.03Å; C45-C111 PolarHBondContact SG-SG 2.89Å; L56-C111 HydrophobicContact CD2-CB 4.24Å; Y57-C111 CarbonylContact O-C 3.52Å; Y57-C111 VanDerWaalsContact O-CA 3.24Å; Y57-C111 WeakPolarHBondContact O-CA 3.25Å; W58-C111 HydrophobicContact CD2-CB 4.04Å; W58-C111 HydrophobicContact CE3-CB 3.93Å; W58-C111 HydrophobicContact CH2-CB 3.94Å; W58-C111 HydrophobicContact CZ2-CB 4.02Å; W58-C111 HydrophobicContact CZ3-CB 3.89Å
112	H	96.5	Very high	91	Very high	90 Å²	90	70.3 Å²	70.3	42%	0.417	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	141.4	-179.8	176.3	70.7	0	0	0	109.6	L56 Y57 Y59	L56-H112 WeakPolarHBondContact CD2-O 3.42Å; Y57-H112 PolarHBondContact N-O 2.69Å; Y57-H112 PolarHBondContact O-N 3.1Å; Y59-H112 HydrophobicContact CD2-CB 4.13Å; Y59-H112 HydrophobicContact CE2-CB 3.82Å
113	Q	94.9	Very high	90.6	Very high	15 Å²	15	70.4 Å²	70.4	7%	0.07	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.3	177.6	68.7	78.2	36.6	0	0	110.4	I24 L26 V51 Y55 S116	I24-Q113 HydrophobicContact CB-CG 4.2Å; I24-Q113 HydrophobicContact CG2-CG 4.01Å; L26-Q113 HydrophobicContact CD1-CB 4.15Å; L26-Q113 HydrophobicContact CD1-CG 4.08Å; L26-Q113 HydrophobicContact CD2-CB 4.42Å; L26-Q113 HydrophobicContact CD2-CG 4.22Å; L26-Q113 HydrophobicContact CG-CG 4.27Å; V51-Q113 HydrophobicContact CG1-CB 3.99Å; V51-Q113 HydrophobicContact CG2-CB 4.02Å; V51-Q113 HydrophobicContact CG2-CG 4.39Å; Y55-Q113 CarbonylContact O-C 3.59Å; Y55-Q113 VanDerWaalsContact O-CA 3.26Å; Y55-Q113 WeakPolarHBondContact O-CA 3.23Å; Q113-S116 PolarHBondContact NE2-O 3.46Å
114	W	92.2	Very high	90.2	Very high	133 Å²	133	69.5 Å²	69.5	50%	0.504	38%	0.38	S	S	.	.			trans	-111.3	14.3	175	-162.2	4.1	0	0	0	113.1	Y55 Y57 Y117	Y55-W114 HydrophobicContact CD1-CB 4.13Å; Y55-W114 PolarHBondContact O-N 2.9Å; Y57-W114 HydrophobicContact CE2-CB 4.13Å; Y57-W114 HydrophobicContact CE2-CE3 4.35Å; W114-Y117 AromaticContact NE1-CZ 3.6Å; W114-Y117 PolarHBondContact NE1-OH 2.91Å
115	S	88.3	Confident	89.8	Confident	53 Å²	53	67.8 Å²	67.8	37%	0.371	38%	0.376	S	S	.	.	S	Bend	trans	-78.2	-25.9	-177.6	-169.7	0	0	0	0	113.4
116	S	84.1	Confident	89.3	Confident	34 Å²	34	72.4 Å²	72.4	24%	0.238	40%	0.402	C	S	.	.			trans	-146.3	144.4	179.2	-171.3	0	0	0	0	110.8	G22 Q113	G22-S116 PolarHBondContact O-OG 2.85Å; Q113-S116 PolarHBondContact NE2-O 3.46Å
117	Y	77	Confident	88.7	Confident	169 Å²	169	72.7 Å²	72.7	66%	0.663	39%	0.389	S	S	*	.			trans	-90.5	135.1	168.3	-62.2	-82.4	0	0	0	108.7	W114	W114-Y117 AromaticContact NE1-CZ 3.6Å; W114-Y117 PolarHBondContact NE1-OH 2.91Å
118	P	68.8	Low	88	Confident	85 Å²	85	76.3 Å²	76.3	55%	0.552	40%	0.4	S	S	*	.			trans	-56.7	141.7	163.6	-15.7	28.9	0	0	0	109	Q23	Q23-P118 HydrophobicContact CG-CB 4.44Å
119	P	61.9	Low	87.1	Confident	154 Å²	154	77.4 Å²	77.4	100%	1	40%	0.396	S	S	*	.			trans	-62.8	0	174.8	27.4	-33.6	0	0	0	113	S20	S20-P119 VanDerWaalsContact OG-CG 3.32Å; S20-P119 WeakPolarHBondContact OG-CG 3.11Å

Retrieved 119 of 119 residues in 91.9 ms (Link to these results)

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