A0A075B5R4_MOUSE Loading...

Immunoglobulin heavy variable 14-1

AlphaFold DB , UniProt , Accession A0A075B5R4, Species MOUSE (Mus musculus, Mouse), Gene Ighv14-1, Length 117 aa.

						>A0A075B5R4_MOUSE|A0A075B5R4|Ighv14-1
MKCSWVIFFLMAVVTGVNSEVQLQQSGAELVRPGASVKLSCTASGFNIKDYYMHWVKQRPEQGLEWIGRIDPEDGDTEYAPKFQGKATMTADTSSNTAYLQLSSLTSEDTAVYYCTT
					

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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	45.9	Very low	60.9	Low	245 Å²	245	170.5 Å²	170.5	100%	1.207	84%	0.844	S	S	*	*				0	97.2	0	-64.8	160	75.7	0	0	107.7
2	K	44.7	Very low	61.5	Low	206 Å²	206	164.1 Å²	164.1	90%	0.896	84%	0.839	S	S	*	*			trans	-140	111	-179	-76.7	179	174.9	178.8	0	107.2
3	C	55.6	Low	62.3	Low	127 Å²	127	160.8 Å²	160.8	86%	0.858	83%	0.831	S	S	*	*			trans	-140.2	93.3	166.8	-83.9	0	0	0	0	105.8
4	S	51.6	Low	62.8	Low	106 Å²	106	158.8 Å²	158.8	74%	0.741	83%	0.829	S	S	*	*				67.6	92.3	87.4	-160.8	0	0	0	0	111.5	V6	S4-V6 PolarHBondContact O-N 3.04Å
5	W	59.4	Low	62.9	Low	247 Å²	247	156.2 Å²	156.2	94%	0.936	82%	0.823	S	S	*	*			trans	-77.2	105.8	168.4	-85.3	-6.6	0	0	0	109.2
6	V	72.8	Confident	62.7	Low	107 Å²	107	149.8 Å²	149.8	65%	0.648	81%	0.805	S	S	*	*			trans	-93.2	111	166	180	0	0	0	0	107.4	S4 F8	S4-V6 PolarHBondContact O-N 3.04Å; V6-F8 HydrophobicContact CG1-CD2 4.25Å; V6-F8 HydrophobicContact CG1-CE2 4.1Å
7	I	71.4	Confident	62.9	Low	134 Å²	134	149.5 Å²	149.5	69%	0.687	81%	0.81	S	S	*	*			trans	-84.7	115.8	171.9	-61.6	171.2	0	0	0	107.2	F9	I7-F9 HydrophobicContact CG2-CD2 4.34Å
8	F	64.7	Low	62.7	Low	180 Å²	180	149.1 Å²	149.1	79%	0.789	81%	0.807	S	S	*	*			trans	-81.9	117.4	169.6	-85.8	-91.4	0	0	0	109.5	V6	V6-F8 HydrophobicContact CG1-CD2 4.25Å; V6-F8 HydrophobicContact CG1-CE2 4.1Å
9	F	66.5	Low	63.3	Low	188 Å²	188	146.3 Å²	146.3	83%	0.825	80%	0.8	S	S	*	*			trans	-85.1	110.2	166	-103.4	-92.3	0	0	0	109	I7	I7-F9 HydrophobicContact CG2-CD2 4.34Å
10	L	68.3	Low	64.5	Low	163 Å²	163	145.2 Å²	145.2	85%	0.853	79%	0.789	S	S	*	*			trans	-85.4	110.4	168.3	-91.9	153.6	0	0	0	108.6	A12	L10-A12 PolarHBondContact O-N 3.4Å
11	M	68.9	Low	65.8	Low	172 Å²	172	142.5 Å²	142.5	85%	0.847	78%	0.777	S	S	*	*			trans	-76.2	106.7	165.7	-70.2	-88.8	-82.7	0	0	107.8	V13	M11-V13 PolarHBondContact O-N 2.77Å
12	A	68.8	Low	68.2	Low	94 Å²	94	135.1 Å²	135.1	78%	0.777	74%	0.739	S	S	*	*			trans	-76	111.3	168.1	0	0	0	0	0	108.6	L10 V14	L10-A12 PolarHBondContact O-N 3.4Å; A12-V14 PolarHBondContact O-N 3.44Å
13	V	71.5	Confident	70.7	Confident	122 Å²	122	127.8 Å²	127.8	74%	0.739	71%	0.71	S	S	*	*			trans	-80.4	108.4	168.8	-178.9	0	0	0	0	107.3	M11 T15	M11-V13 PolarHBondContact O-N 2.77Å; V13-T15 HydrophobicContact CG1-CG2 4.11Å; V13-T15 PolarHBondContact O-N 3.03Å
14	V	69.3	Low	72.7	Confident	132 Å²	132	128 Å²	128	80%	0.8	70%	0.698	S	S	*	*			trans	-79.9	102.1	170	-177.3	0	0	0	0	107.4	A12 G16	A12-V14 PolarHBondContact O-N 3.44Å; V14-G16 PolarHBondContact O-N 3.34Å; V14-G16 VanDerWaalsContact O-N 3.14Å
15	T	63.5	Low	74.9	Confident	120 Å²	120	125.3 Å²	125.3	74%	0.736	67%	0.674	S	S	*	*			trans	-80.2	88.8	168.8	56.5	0	0	0	0	108.3	V13 V17	V13-T15 HydrophobicContact CG1-CG2 4.11Å; V13-T15 PolarHBondContact O-N 3.03Å; T15-V17 PolarHBondContact O-N 3.26Å
16	G	61	Low	76.7	Confident	53 Å²	53	115.3 Å²	115.3	55%	0.546	64%	0.642	S	S	.	*			trans	-65.9	127.7	160.9	0	0	0	0	0	108.7	V14 N18	V14-G16 PolarHBondContact O-N 3.34Å; V14-G16 VanDerWaalsContact O-N 3.14Å; G16-N18 VanDerWaalsContact C-N 3.32Å; G16-N18 PolarHBondContact O-N 2.81Å
17	V	64.6	Low	77.8	Confident	145 Å²	145	113 Å²	113	88%	0.879	64%	0.639	S	S	*	*			trans	-78.2	88.3	171.6	-175.8	0	0	0	0	107.2	T15	T15-V17 PolarHBondContact O-N 3.26Å
18	N	59.5	Low	79	Confident	143 Å²	143	111.8 Å²	111.8	77%	0.765	65%	0.65	S	S	*	*			trans	-79.7	120.8	167.5	-68.7	-31.8	0	0	0	107.6	G16 E20	G16-N18 VanDerWaalsContact C-N 3.32Å; G16-N18 PolarHBondContact O-N 2.81Å; N18-E20 PolarHBondContact O-N 3.38Å
19	S	74	Confident	80.5	Confident	96 Å²	96	108.5 Å²	108.5	67%	0.671	64%	0.636	S	S	*	*			trans	-78.4	75	166.4	-164.7	0	0	0	0	108	G45	S19-G45 PolarHBondContact OG-O 3Å
20	E	88.6	Confident	81.9	Confident	124 Å²	124	107.9 Å²	107.9	58%	0.579	64%	0.641	S	S	*	*			trans	-75.1	127.6	174.2	-170.9	176.5	-162	0	0	109.1	N18 Q22 G45	N18-E20 PolarHBondContact O-N 3.38Å; E20-Q22 HydrophobicContact CB-CG 4.37Å; E20-Q22 HydrophobicContact CG-CG 3.9Å; E20-Q22 PolarHBondContact O-N 3.46Å; E20-Q22 PolarHBondContact OE2-NE2 2.98Å; E20-G45 WeakPolarHBondContact O-CA 3.47Å
21	V	90.8	Very high	83.2	Confident	89 Å²	89	102.9 Å²	102.9	54%	0.539	62%	0.617	S	S	.	*			trans	-75	120.1	172.1	171.2	0	0	0	0	108.1	S44 F46	V21-S44 WeakPolarHBondContact CA-O 3.31Å; V21-F46 HydrophobicContact CB-CD1 4.46Å; V21-F46 HydrophobicContact CG1-CD1 3.72Å; V21-F46 HydrophobicContact CG1-CE1 3.72Å; V21-F46 HydrophobicContact CG2-CD1 4.31Å
22	Q	96	Very high	84.5	Confident	89 Å²	89	104.7 Å²	104.7	42%	0.416	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.4	148.6	177.2	-51.3	179.9	-17.3	0	0	111.5	E20 A43 S44	E20-Q22 HydrophobicContact CB-CG 4.37Å; E20-Q22 HydrophobicContact CG-CG 3.9Å; E20-Q22 PolarHBondContact O-N 3.46Å; E20-Q22 PolarHBondContact OE2-NE2 2.98Å; Q22-A43 CarbonylContact O-C 3.4Å; Q22-A43 WeakPolarHBondContact O-CA 3.48Å; Q22-S44 WeakPolarHBondContact CB-OG 3.44Å; Q22-S44 PolarHBondContact N-O 2.83Å; Q22-S44 PolarHBondContact O-N 3.07Å
23	L	97.5	Very high	85.8	Confident	52 Å²	52	105.6 Å²	105.6	27%	0.272	61%	0.613	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.5	111.1	171.3	-66.9	-178.2	0	0	0	108.5	A43 F46 M53 T117	L23-A43 HydrophobicContact CD2-CB 3.85Å; L23-F46 HydrophobicContact CD2-CE1 4.03Å; L23-F46 HydrophobicContact CD2-CZ 3.87Å; L23-M53 HydrophobicContact CD1-CE 4.31Å; L23-M53 HydrophobicContact CD2-CE 3.88Å; L23-T117 HydrophobicContact CD1-CG2 4.42Å
24	Q	97.8	Very high	87	Confident	132 Å²	132	102.3 Å²	102.3	62%	0.617	60%	0.603	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.2	116.4	-179.3	-177.9	59.6	49.8	0	0	110.3	C41 T42	Q24-C41 CarbonylContact O-C 3.59Å; Q24-C41 WeakPolarHBondContact O-CA 3.4Å; Q24-T42 PolarHBondContact N-O 3.17Å; Q24-T42 PolarHBondContact O-N 2.57Å
25	Q	98.3	Very high	88.3	Confident	50 Å²	50	97.8 Å²	97.8	23%	0.234	58%	0.58	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.5	156.3	178.6	-68.4	-173.3	-110.9	0	0	113.1	S40 C41 Y113 C115	Q25-S40 CarbonylContact C-O 3.56Å; Q25-S40 VanDerWaalsContact CA-O 3.23Å; Q25-S40 WeakPolarHBondContact CA-O 3.36Å; Q25-C41 HydrophobicContact CG-CB 4.25Å; Q25-Y113 PolarHBondContact NE2-O 3.24Å; Q25-Y113 PolarHBondContact OE1-O 3.15Å; Q25-C115 WeakPolarHBondContact CG-SG 3.4Å
26	S	96.2	Very high	90	Very high	37 Å²	37	95.2 Å²	95.2	26%	0.259	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-58.1	158.2	165.6	54.5	0	0	0	0	111.5	S40	S26-S40 WeakPolarHBondContact CB-OG 3.36Å; S26-S40 PolarHBondContact N-O 2.97Å; S26-S40 PolarHBondContact OG-N 2.83Å; S26-S40 VanDerWaalsContact OG-N 3.13Å
27	G	96.4	Very high	91.7	Very high	57 Å²	57	93.5 Å²	93.5	59%	0.588	55%	0.546	S	S	*	.			trans	-65.6	179.3	179.6	0	0	0	0	0	114.2
28	A	96.8	Very high	93.3	Very high	110 Å²	110	91.8 Å²	91.8	91%	0.909	53%	0.526	S	S	*	.			trans	-66.6	138.4	176	0	0	0	0	0	111.3
29	E	96.1	Very high	95.2	Very high	110 Å²	110	85.8 Å²	85.8	51%	0.514	49%	0.494	S	S	.	.			trans	-114.3	127.7	-177.5	-69.8	-69.8	166.9	0	0	110.2	V31 V37 L39	E29-V31 HydrophobicContact CB-CG1 4.44Å; E29-V37 HydrophobicContact CB-CG2 3.65Å; E29-V37 HydrophobicContact CG-CG2 3.54Å; E29-L39 HydrophobicContact CG-CD2 4.08Å
30	L	96	Very high	96.3	Very high	176 Å²	176	82.7 Å²	82.7	92%	0.921	47%	0.472	S	S	*	.			trans	-107.6	112.6	171.4	-178.7	65.5	0	0	0	109
31	V	95.1	Very high	96.8	Very high	58 Å²	58	76.8 Å²	76.8	35%	0.352	45%	0.445	S	S	.	.			trans	-125.4	150.7	-172	-64.6	0	0	0	0	111.4	E29 A35 V37 L105	E29-V31 HydrophobicContact CB-CG1 4.44Å; V31-A35 HydrophobicContact CB-CB 4.46Å; V31-V37 HydrophobicContact CG1-CB 4.17Å; V31-V37 HydrophobicContact CG1-CG2 4.16Å; V31-L105 HydrophobicContact CB-CD1 4.41Å; V31-L105 HydrophobicContact CG2-CD1 3.55Å
32	R	96	Very high	97.2	Very high	209 Å²	209	75.1 Å²	75.1	79%	0.789	44%	0.435	S	S	*	.			trans	-79.2	149.8	175.9	-62.5	179.3	-173.7	172	2	110	G34 A35	R32-G34 PolarHBondContact O-N 2.88Å; R32-A35 WeakPolarHBondContact O-CB 3.39Å; R32-A35 PolarHBondContact O-N 2.92Å
33	P	96	Very high	97.3	Very high	114 Å²	114	71.1 Å²	71.1	74%	0.74	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	138.3	169.8	-25.4	34.6	0	0	0	111.7	A35 L105	P33-A35 VanDerWaalsContact C-N 3.25Å; P33-A35 PolarHBondContact O-N 2.9Å; P33-L105 CarbonylContact C-O 3.6Å; P33-L105 WeakPolarHBondContact CA-O 3.14Å
34	G	97.1	Very high	97.2	Very high	53 Å²	53	71 Å²	71	55%	0.546	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-13.2	-175.1	0	0	0	0	0	115	R32 L105	R32-G34 PolarHBondContact O-N 2.88Å; G34-L105 PolarHBondContact N-O 3.34Å
35	A	97.9	Very high	97.1	Very high	37 Å²	37	66.5 Å²	66.5	31%	0.306	41%	0.41	S	S	.	.			trans	-72.5	171	175.9	0	0	0	0	0	112	V31 R32 P33 S104 L105	V31-A35 HydrophobicContact CB-CB 4.46Å; R32-A35 WeakPolarHBondContact O-CB 3.39Å; R32-A35 PolarHBondContact O-N 2.92Å; P33-A35 VanDerWaalsContact C-N 3.25Å; P33-A35 PolarHBondContact O-N 2.9Å; A35-S104 PolarHBondContact O-N 2.98Å; A35-L105 PolarHBondContact O-N 2.85Å
36	S	97.7	Very high	96.9	Very high	66 Å²	66	65.7 Å²	65.7	46%	0.462	41%	0.406	S	S	.	.			trans	-113.3	152.3	171.1	-54.8	0	0	0	0	110.2	L102 S103	S36-L102 CarbonylContact C-O 3.55Å; S36-L102 WeakPolarHBondContact CA-O 3.33Å; S36-L102 WeakPolarHBondContact CB-O 3.13Å; S36-S103 WeakPolarHBondContact OG-CA 3.41Å
37	V	98	Very high	96.9	Very high	17 Å²	17	67.2 Å²	67.2	10%	0.103	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.9	174	75.1	0	0	0	0	109.5	E29 V31 L39 Q101 L102 L105	E29-V37 HydrophobicContact CB-CG2 3.65Å; E29-V37 HydrophobicContact CG-CG2 3.54Å; V31-V37 HydrophobicContact CG1-CB 4.17Å; V31-V37 HydrophobicContact CG1-CG2 4.16Å; V37-L39 HydrophobicContact CG1-CD2 4.39Å; V37-L39 HydrophobicContact CG1-CG 4.48Å; V37-L39 HydrophobicContact CG2-CD2 4.01Å; V37-Q101 CarbonylContact O-C 3.57Å; V37-Q101 VanDerWaalsContact O-CA 3.31Å; V37-Q101 WeakPolarHBondContact O-CA 3.34Å; V37-L102 HydrophobicContact CG1-CB 4.13Å; V37-L102 HydrophobicContact CG1-CD1 4.32Å; V37-L102 PolarHBondContact N-O 3.39Å; V37-L102 PolarHBondContact O-N 2.83Å; V37-L105 HydrophobicContact CB-CD1 3.96Å; V37-L105 HydrophobicContact CG1-CD1 3.73Å
38	K	98.1	Very high	96.9	Very high	108 Å²	108	64.5 Å²	64.5	47%	0.47	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	109.5	173	-173.2	175.9	-178.1	178.9	0	109.3	Y99 L100 Q101	K38-Y99 HydrophobicContact CD-CD1 4.42Å; K38-Y99 HydrophobicContact CG-CD1 4.35Å; K38-L100 WeakPolarHBondContact CA-O 3.46Å; K38-Q101 HydrophobicContact CG-CB 4.45Å
39	L	98.4	Very high	97	Very high	17 Å²	17	62.7 Å²	62.7	9%	0.089	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	147.3	176.3	-50.9	180	0	0	0	109.4	E29 V37 W55 Y99 L100 Y113	E29-L39 HydrophobicContact CG-CD2 4.08Å; V37-L39 HydrophobicContact CG1-CD2 4.39Å; V37-L39 HydrophobicContact CG1-CG 4.48Å; V37-L39 HydrophobicContact CG2-CD2 4.01Å; L39-W55 HydrophobicContact CB-CH2 3.96Å; L39-W55 HydrophobicContact CB-CZ3 4.05Å; L39-W55 HydrophobicContact CD1-CZ3 4.26Å; L39-Y99 WeakPolarHBondContact O-CA 3.38Å; L39-L100 HydrophobicContact CD1-CD2 4.41Å; L39-L100 PolarHBondContact N-O 3.32Å; L39-L100 PolarHBondContact O-N 3.38Å; L39-Y113 HydrophobicContact CD1-CD1 4.34Å; L39-Y113 HydrophobicContact CD1-CD2 4.2Å; L39-Y113 HydrophobicContact CD1-CG 3.78Å
40	S	98.5	Very high	97	Very high	31 Å²	31	62.9 Å²	62.9	22%	0.217	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	151.9	173.1	67.7	0	0	0	0	111.3	Q25 S26 A98	Q25-S40 CarbonylContact C-O 3.56Å; Q25-S40 VanDerWaalsContact CA-O 3.23Å; Q25-S40 WeakPolarHBondContact CA-O 3.36Å; S26-S40 WeakPolarHBondContact CB-OG 3.36Å; S26-S40 PolarHBondContact N-O 2.97Å; S26-S40 PolarHBondContact OG-N 2.83Å; S26-S40 VanDerWaalsContact OG-N 3.13Å; S40-A98 CarbonylContact C-O 3.58Å; S40-A98 WeakPolarHBondContact CA-O 3.35Å
41	C	98.6	Very high	97.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	106.3	173.8	177	0	0	0	0	109.1	Q24 Q25 W55 T97 A98 C115	Q24-C41 CarbonylContact O-C 3.59Å; Q24-C41 WeakPolarHBondContact O-CA 3.4Å; Q25-C41 HydrophobicContact CG-CB 4.25Å; C41-W55 HydrophobicContact CB-CH2 3.9Å; C41-W55 HydrophobicContact CB-CZ2 3.94Å; C41-T97 CarbonylContact O-C 3.58Å; C41-T97 WeakPolarHBondContact O-CA 3.31Å; C41-A98 PolarHBondContact N-O 3.28Å; C41-A98 PolarHBondContact O-N 2.79Å; C41-C115 HydrophobicContact CB-CB 3.43Å; C41-C115 VanDerWaalsContact CB-CB 3.43Å; C41-C115 WeakPolarHBondContact CB-SG 3.15Å; C41-C115 WeakPolarHBondContact SG-CB 3.49Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 2.86Å
42	T	98.3	Very high	97.2	Very high	54 Å²	54	62.2 Å²	62.2	33%	0.331	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.7	-178.6	-57.3	0	0	0	0	109.5	Q24 N96 T97	Q24-T42 PolarHBondContact N-O 3.17Å; Q24-T42 PolarHBondContact O-N 2.57Å; T42-N96 WeakPolarHBondContact CA-O 3.4Å; T42-T97 PolarHBondContact OG1-OG1 2.02Å
43	A	97.7	Very high	97.3	Very high	5 Å²	5	52.3 Å²	52.3	4%	0.041	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	144.8	176.6	0	0	0	0	0	111.3	Q22 L23 F46 I48 N96	Q22-A43 CarbonylContact O-C 3.4Å; Q22-A43 WeakPolarHBondContact O-CA 3.48Å; L23-A43 HydrophobicContact CD2-CB 3.85Å; A43-F46 HydrophobicContact CB-CD1 4.3Å; A43-F46 HydrophobicContact CB-CE1 3.55Å; A43-F46 HydrophobicContact CB-CE2 4.09Å; A43-F46 HydrophobicContact CB-CZ 3.44Å; A43-F46 VanDerWaalsContact CB-CZ 3.44Å; A43-I48 HydrophobicContact CB-CB 4.35Å; A43-I48 HydrophobicContact CB-CD1 4.39Å; A43-I48 HydrophobicContact CB-CG1 4.3Å; A43-N96 VanDerWaalsContact C-ND2 3.31Å; A43-N96 WeakPolarHBondContact CB-ND2 3.43Å; A43-N96 PolarHBondContact N-O 2.9Å; A43-N96 PolarHBondContact O-ND2 2.81Å
44	S	96.4	Very high	97.4	Very high	50 Å²	50	49.1 Å²	49.1	35%	0.35	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	154.8	169.1	69.6	0	0	0	0	110.5	V21 Q22 F46	V21-S44 WeakPolarHBondContact CA-O 3.31Å; Q22-S44 WeakPolarHBondContact CB-OG 3.44Å; Q22-S44 PolarHBondContact N-O 2.83Å; Q22-S44 PolarHBondContact O-N 3.07Å; S44-F46 VanDerWaalsContact C-N 3.26Å; S44-F46 WeakPolarHBondContact O-CD1 3.4Å; S44-F46 PolarHBondContact O-N 3.3Å
45	G	95	Very high	97.5	Very high	38 Å²	38	46.6 Å²	46.6	39%	0.392	25%	0.251	S	S	.	.	S	Bend	trans	82.1	-5.5	-175	0	0	0	0	0	115.1	S19 E20	S19-G45 PolarHBondContact OG-O 3Å; E20-G45 WeakPolarHBondContact O-CA 3.47Å
46	F	94.4	Very high	97.5	Very high	32 Å²	32	46 Å²	46	14%	0.14	24%	0.243	C	C	.	.	S	Bend	trans	-155.1	165.1	174.7	71.5	-77.3	0	0	0	111.2	V21 L23 A43 S44 Y51 N96 T117	V21-F46 HydrophobicContact CB-CD1 4.46Å; V21-F46 HydrophobicContact CG1-CD1 3.72Å; V21-F46 HydrophobicContact CG1-CE1 3.72Å; V21-F46 HydrophobicContact CG2-CD1 4.31Å; L23-F46 HydrophobicContact CD2-CE1 4.03Å; L23-F46 HydrophobicContact CD2-CZ 3.87Å; A43-F46 HydrophobicContact CB-CD1 4.3Å; A43-F46 HydrophobicContact CB-CE1 3.55Å; A43-F46 HydrophobicContact CB-CE2 4.09Å; A43-F46 HydrophobicContact CB-CZ 3.44Å; A43-F46 VanDerWaalsContact CB-CZ 3.44Å; S44-F46 VanDerWaalsContact C-N 3.26Å; S44-F46 WeakPolarHBondContact O-CD1 3.4Å; S44-F46 PolarHBondContact O-N 3.3Å; F46-Y51 HydrophobicContact CB-CE2 4.21Å; F46-Y51 AromaticContact CD2-CD2 3.34Å; F46-Y51 HydrophobicContact CD2-CD2 3.34Å; F46-Y51 AromaticContact CD2-CE2 3.58Å; F46-Y51 HydrophobicContact CD2-CE2 3.58Å; F46-Y51 HydrophobicContact CD2-CG 4.27Å; F46-Y51 AromaticContact CE2-CD2 3.66Å; F46-Y51 HydrophobicContact CE2-CD2 3.66Å; F46-Y51 HydrophobicContact CE2-CE2 4.29Å; F46-Y51 HydrophobicContact CE2-CG 4.19Å; F46-Y51 HydrophobicContact CG-CD2 4.38Å; F46-Y51 HydrophobicContact CG-CE2 4.23Å; F46-N96 PolarHBondContact O-ND2 2.84Å; F46-T117 HydrophobicContact CZ-CG2 4.14Å
47	N	96.3	Very high	97.5	Very high	69 Å²	69	42.8 Å²	42.8	37%	0.369	22%	0.222	S	C	.	.			trans	-89.9	124.1	172.6	-177.3	-7.1	0	0	0	109.5	K49 D50	N47-K49 PolarHBondContact O-N 3.01Å; N47-K49 VanDerWaalsContact O-N 3.13Å; N47-K49 WeakPolarHBondContact OD1-CB 3.3Å; N47-K49 PolarHBondContact OD1-N 3.42Å; N47-K49 VanDerWaalsContact OD1-N 3.08Å; N47-D50 WeakPolarHBondContact CB-OD2 3.21Å; N47-D50 PolarHBondContact O-N 2.8Å
48	I	97.5	Very high	97.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-61	-24.6	-177.1	-152.6	176.3	0	0	0	112.1	A43 D50 Y51 M53 P72 T93 N96 A98	A43-I48 HydrophobicContact CB-CB 4.35Å; A43-I48 HydrophobicContact CB-CD1 4.39Å; A43-I48 HydrophobicContact CB-CG1 4.3Å; I48-D50 PolarHBondContact O-N 2.79Å; I48-Y51 PolarHBondContact O-N 3.13Å; I48-M53 HydrophobicContact CD1-CE 4.24Å; I48-M53 HydrophobicContact CD1-CG 3.68Å; I48-M53 HydrophobicContact CD1-SD 3.92Å; I48-M53 HydrophobicContact CG1-CE 4.5Å; I48-M53 HydrophobicContact CG1-CG 3.51Å; I48-M53 HydrophobicContact CG1-SD 3.58Å; I48-M53 VanDerWaalsContact CG1-SD 3.58Å; I48-P72 HydrophobicContact CG1-CB 4.49Å; I48-P72 HydrophobicContact CG1-CG 4.04Å; I48-P72 HydrophobicContact CG2-CB 4.01Å; I48-P72 HydrophobicContact CG2-CG 4.48Å; I48-P72 VanDerWaalsContact O-CG 3.26Å; I48-P72 WeakPolarHBondContact O-CG 3.32Å; I48-T93 HydrophobicContact CG2-CG2 4.43Å; I48-N96 VanDerWaalsContact CB-OD1 3.22Å; I48-N96 WeakPolarHBondContact CB-OD1 3.42Å; I48-N96 WeakPolarHBondContact CG2-OD1 3.31Å; I48-N96 PolarHBondContact N-OD1 2.76Å; I48-A98 HydrophobicContact CD1-CB 3.87Å
49	K	97.6	Very high	97.2	Very high	73 Å²	73	41.5 Å²	41.5	32%	0.317	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-61.8	-23.6	174.9	-69.4	-167.9	73.8	-149.9	0	114	N47 Y51 T93	N47-K49 PolarHBondContact O-N 3.01Å; N47-K49 VanDerWaalsContact O-N 3.13Å; N47-K49 WeakPolarHBondContact OD1-CB 3.3Å; N47-K49 PolarHBondContact OD1-N 3.42Å; N47-K49 VanDerWaalsContact OD1-N 3.08Å; K49-Y51 VanDerWaalsContact C-N 3.26Å; K49-Y51 PolarHBondContact O-N 3.19Å; K49-T93 HydrophobicContact CD-CG2 3.95Å; K49-T93 HydrophobicContact CG-CG2 3.44Å; K49-T93 VanDerWaalsContact CG-CG2 3.44Å
50	D	96.9	Very high	96.9	Very high	113 Å²	113	45.3 Å²	45.3	60%	0.604	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-86	-1.1	-174.6	-56.5	-30.4	0	0	0	112.1	N47 I48	N47-D50 WeakPolarHBondContact CB-OD2 3.21Å; N47-D50 PolarHBondContact O-N 2.8Å; I48-D50 PolarHBondContact O-N 2.79Å
51	Y	97	Very high	96.3	Very high	113 Å²	113	53.7 Å²	53.7	44%	0.443	28%	0.276	S	S	.	.	S	Bend	trans	-145.5	146.3	-172.2	-60.5	-92.6	0	0	0	113.6	F46 I48 K49 P72 T117	F46-Y51 HydrophobicContact CB-CE2 4.21Å; F46-Y51 AromaticContact CD2-CD2 3.34Å; F46-Y51 HydrophobicContact CD2-CD2 3.34Å; F46-Y51 AromaticContact CD2-CE2 3.58Å; F46-Y51 HydrophobicContact CD2-CE2 3.58Å; F46-Y51 HydrophobicContact CD2-CG 4.27Å; F46-Y51 AromaticContact CE2-CD2 3.66Å; F46-Y51 HydrophobicContact CE2-CD2 3.66Å; F46-Y51 HydrophobicContact CE2-CE2 4.29Å; F46-Y51 HydrophobicContact CE2-CG 4.19Å; F46-Y51 HydrophobicContact CG-CD2 4.38Å; F46-Y51 HydrophobicContact CG-CE2 4.23Å; I48-Y51 PolarHBondContact O-N 3.13Å; K49-Y51 VanDerWaalsContact C-N 3.26Å; K49-Y51 PolarHBondContact O-N 3.19Å; Y51-P72 WeakPolarHBondContact O-CD 3.42Å; Y51-P72 WeakPolarHBondContact O-CG 2.98Å; Y51-T117 WeakPolarHBondContact CB-OG1 3.44Å; Y51-T117 WeakPolarHBondContact CD1-OG1 3.12Å
52	Y	98.3	Very high	95.9	Very high	108 Å²	108	58.5 Å²	58.5	42%	0.424	30%	0.299	S	S	.	.			trans	-69.8	134.9	168.2	-61.8	-70.5	0	0	0	111	H54 I70 D71	Y52-H54 PolarHBondContact O-CD2 3.03Å; Y52-I70 WeakPolarHBondContact CA-O 3.39Å; Y52-D71 HydrophobicContact CD1-CB 3.72Å; Y52-D71 HydrophobicContact CE1-CB 3.58Å; Y52-D71 WeakPolarHBondContact CE1-OD2 3.22Å
53	M	98.2	Very high	95.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	112.2	176.1	-65.7	-62	-57.5	0	0	110	L23 I48 R69 I70 P72 A98 C115	L23-M53 HydrophobicContact CD1-CE 4.31Å; L23-M53 HydrophobicContact CD2-CE 3.88Å; I48-M53 HydrophobicContact CD1-CE 4.24Å; I48-M53 HydrophobicContact CD1-CG 3.68Å; I48-M53 HydrophobicContact CD1-SD 3.92Å; I48-M53 HydrophobicContact CG1-CE 4.5Å; I48-M53 HydrophobicContact CG1-CG 3.51Å; I48-M53 HydrophobicContact CG1-SD 3.58Å; I48-M53 VanDerWaalsContact CG1-SD 3.58Å; M53-R69 CarbonylContact O-C 3.54Å; M53-R69 WeakPolarHBondContact O-CA 3.32Å; M53-I70 HydrophobicContact CB-CG2 3.78Å; M53-I70 PolarHBondContact N-O 2.77Å; M53-I70 PolarHBondContact O-N 3.02Å; M53-P72 HydrophobicContact CB-CG 4.47Å; M53-P72 HydrophobicContact CG-CG 3.79Å; M53-A98 HydrophobicContact CB-CB 4.07Å; M53-A98 HydrophobicContact CE-CB 4.37Å; M53-A98 HydrophobicContact CG-CB 4.12Å; M53-C115 HydrophobicContact CE-CB 4.42Å
54	H	98.6	Very high	95.5	Very high	48 Å²	48	63.8 Å²	63.8	22%	0.222	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	145.8	-179.7	-64.7	-108.8	0	0	0	110.9	Y52 W66 G68 C115 T116	Y52-H54 PolarHBondContact O-CD2 3.03Å; H54-W66 AromaticContact ND1-NE1 3.25Å; H54-W66 PolarHBondContact ND1-NE1 3.36Å; H54-G68 WeakPolarHBondContact CA-O 3.29Å; H54-C115 CarbonylContact O-C 3.53Å; H54-C115 WeakPolarHBondContact O-CA 3.39Å; H54-T116 HydrophobicContact CB-CG2 3.61Å; H54-T116 PolarHBondContact N-O 3.46Å; H54-T116 PolarHBondContact O-N 3.01Å
55	W	98.7	Very high	95.5	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.5	171.1	-71.7	89.2	0	0	0	110.8	L39 C41 I67 G68 M89 L100 Y114 C115	L39-W55 HydrophobicContact CB-CH2 3.96Å; L39-W55 HydrophobicContact CB-CZ3 4.05Å; L39-W55 HydrophobicContact CD1-CZ3 4.26Å; C41-W55 HydrophobicContact CB-CH2 3.9Å; C41-W55 HydrophobicContact CB-CZ2 3.94Å; W55-I67 HydrophobicContact CB-CB 4.12Å; W55-I67 HydrophobicContact CB-CD1 4.24Å; W55-I67 WeakPolarHBondContact O-CB 3.41Å; W55-I67 PolarHBondContact O-N 2.64Å; W55-G68 PolarHBondContact N-O 3.4Å; W55-M89 VanDerWaalsContact CD1-SD 3.59Å; W55-M89 HydrophobicContact CG-SD 4.38Å; W55-L100 HydrophobicContact CB-CD2 4.11Å; W55-L100 HydrophobicContact CD2-CB 3.48Å; W55-L100 VanDerWaalsContact CD2-CB 3.48Å; W55-L100 HydrophobicContact CD2-CD2 3.79Å; W55-L100 HydrophobicContact CD2-CG 4.17Å; W55-L100 VanDerWaalsContact CE2-CB 3.45Å; W55-L100 HydrophobicContact CE3-CB 3.71Å; W55-L100 HydrophobicContact CE3-CD2 3.57Å; W55-L100 HydrophobicContact CE3-CG 4.28Å; W55-L100 HydrophobicContact CG-CB 4.03Å; W55-L100 HydrophobicContact CG-CD1 4.49Å; W55-L100 HydrophobicContact CG-CD2 4.03Å; W55-L100 HydrophobicContact CG-CG 4.41Å; W55-L100 HydrophobicContact CH2-CB 3.88Å; W55-L100 HydrophobicContact CZ2-CB 3.67Å; W55-L100 HydrophobicContact CZ3-CB 3.9Å; W55-L100 HydrophobicContact CZ3-CD2 4.23Å; W55-Y114 WeakPolarHBondContact CA-O 3.18Å; W55-C115 HydrophobicContact CD2-CB 4.35Å; W55-C115 HydrophobicContact CE3-CB 4.24Å; W55-C115 HydrophobicContact CH2-CB 4.18Å; W55-C115 HydrophobicContact CZ2-CB 4.25Å; W55-C115 HydrophobicContact CZ3-CB 4.17Å
56	V	98.2	Very high	95.6	Very high	23 Å²	23	66 Å²	66	14%	0.139	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.5	-176.3	-174.8	0	0	0	0	109.6	L64 Y113 Y114 T116	V56-L64 HydrophobicContact CG1-CB 3.8Å; V56-L64 HydrophobicContact CG1-CD2 3.84Å; V56-L64 HydrophobicContact CG1-CG 4.3Å; V56-Y113 CarbonylContact O-C 3.59Å; V56-Y113 WeakPolarHBondContact O-CA 3.49Å; V56-Y114 PolarHBondContact N-O 3.49Å; V56-Y114 PolarHBondContact O-N 3.06Å; V56-T116 HydrophobicContact CG2-CG2 4.24Å
57	K	97.2	Very high	95.8	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.6	176.1	-176.1	-178.1	-179.6	-179.5	0	110.2	R59 E65 I67 F83 E108 D109 A111 Y113	K57-R59 VanDerWaalsContact NZ-NH2 3.13Å; K57-E65 HydrophobicContact CB-CB 4.38Å; K57-E65 PolarHBondContact N-O 2.9Å; K57-E65 PolarHBondContact O-N 2.83Å; K57-I67 HydrophobicContact CB-CD1 4.06Å; K57-I67 HydrophobicContact CB-CG1 4.15Å; K57-F83 HydrophobicContact CB-CZ 4.49Å; K57-F83 HydrophobicContact CD-CE1 4.11Å; K57-F83 HydrophobicContact CD-CZ 3.98Å; K57-E108 PolarHBondContact NZ-O 2.79Å; K57-D109 IonicContact NZ-OD1 3.16Å; K57-D109 PolarHBondContact NZ-OD1 3.24Å; K57-A111 HydrophobicContact CD-CB 4.12Å; K57-A111 HydrophobicContact CG-CB 3.48Å; K57-A111 VanDerWaalsContact CG-CB 3.48Å; K57-Y113 HydrophobicContact CB-CD1 4.34Å; K57-Y113 HydrophobicContact CB-CE1 4.11Å; K57-Y113 HydrophobicContact CD-CE1 4.1Å; K57-Y113 HydrophobicContact CG-CD1 4.43Å; K57-Y113 HydrophobicContact CG-CE1 3.9Å
58	Q	97	Very high	95.9	Very high	70 Å²	70	61.2 Å²	61.2	33%	0.327	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	112	169.8	-167.1	-179.2	22.7	0	0	110	L64 A111 V112 Y114	Q58-L64 HydrophobicContact CB-CD2 3.8Å; Q58-L64 HydrophobicContact CG-CD2 3.95Å; Q58-A111 CarbonylContact O-C 3.6Å; Q58-A111 VanDerWaalsContact O-CA 3.3Å; Q58-A111 WeakPolarHBondContact O-CA 3.46Å; Q58-A111 WeakPolarHBondContact O-CB 3.19Å; Q58-V112 PolarHBondContact N-O 3.46Å; Q58-V112 PolarHBondContact O-N 3.4Å; Q58-Y114 HydrophobicContact CB-CD2 4.46Å; Q58-Y114 HydrophobicContact CB-CE2 3.93Å; Q58-Y114 PolarHBondContact OE1-OH 3.14Å
59	R	93.4	Very high	96	Very high	28 Å²	28	63.9 Å²	63.9	11%	0.106	31%	0.313	C	S	.	.			trans	-80.3	154.4	170.2	-62.3	-164.9	-169.2	80.3	14.1	110.4	K57 E61 Q62 E65 E108 A111	K57-R59 VanDerWaalsContact NZ-NH2 3.13Å; R59-E61 PolarHBondContact O-N 3.4Å; R59-Q62 HydrophobicContact CB-CB 4.01Å; R59-Q62 HydrophobicContact CB-CG 4.06Å; R59-Q62 PolarHBondContact O-N 3.02Å; R59-E65 IonicContact CZ-OE1 3.22Å; R59-E65 IonicContact NH1-OE1 3.83Å; R59-E65 PolarHBondContact NH1-OE1 2.69Å; R59-E65 IonicContact NH1-OE2 3.85Å; R59-E65 IonicContact NH2-OE1 2.65Å; R59-E65 PolarHBondContact NH2-OE1 2.61Å; R59-E108 PolarHBondContact NE-O 3.4Å; R59-A111 HydrophobicContact CG-CB 4.26Å
60	P	90.3	Very high	96	Very high	96 Å²	96	60.6 Å²	60.6	62%	0.623	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	130	166.2	-24.2	34.2	0	0	0	110.2	Q62	P60-Q62 PolarHBondContact O-N 3.11Å; P60-Q62 VanDerWaalsContact O-N 3.1Å
61	E	87.8	Confident	96.1	Very high	207 Å²	207	56.1 Å²	56.1	97%	0.967	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	10.3	177	-51	-179.9	172.1	0	0	116.2	R59	R59-E61 PolarHBondContact O-N 3.4Å
62	Q	89.3	Confident	96.2	Very high	101 Å²	101	51.1 Å²	51.1	47%	0.472	26%	0.256	S	S	.	.	S	Bend	trans	-118.1	165.7	175.5	-53.6	-176	11.7	0	0	111.7	R59 P60	R59-Q62 HydrophobicContact CB-CB 4.01Å; R59-Q62 HydrophobicContact CB-CG 4.06Å; R59-Q62 PolarHBondContact O-N 3.02Å; P60-Q62 PolarHBondContact O-N 3.11Å; P60-Q62 VanDerWaalsContact O-N 3.1Å
63	G	90.5	Very high	96.2	Very high	53 Å²	53	52.2 Å²	52.2	55%	0.546	27%	0.265	S	S	.	.			trans	-67.7	176.3	174.8	0	0	0	0	0	113.4
64	L	96.2	Very high	96.1	Very high	118 Å²	118	56.9 Å²	56.9	62%	0.618	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	130.6	171.6	-65	171	0	0	0	109.9	V56 Q58	V56-L64 HydrophobicContact CG1-CB 3.8Å; V56-L64 HydrophobicContact CG1-CD2 3.84Å; V56-L64 HydrophobicContact CG1-CG 4.3Å; Q58-L64 HydrophobicContact CB-CD2 3.8Å; Q58-L64 HydrophobicContact CG-CD2 3.95Å
65	E	97.1	Very high	96.1	Very high	44 Å²	44	56.5 Å²	56.5	21%	0.206	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.3	173	-67.8	-176.5	-81.2	0	0	109.3	K57 R59 I67 K82 F83	K57-E65 HydrophobicContact CB-CB 4.38Å; K57-E65 PolarHBondContact N-O 2.9Å; K57-E65 PolarHBondContact O-N 2.83Å; R59-E65 IonicContact CZ-OE1 3.22Å; R59-E65 IonicContact NH1-OE1 3.83Å; R59-E65 PolarHBondContact NH1-OE1 2.69Å; R59-E65 IonicContact NH1-OE2 3.85Å; R59-E65 IonicContact NH2-OE1 2.65Å; R59-E65 PolarHBondContact NH2-OE1 2.61Å; E65-I67 PolarHBondContact O-N 3Å; E65-K82 IonicContact OE1-NZ 2.69Å; E65-K82 IonicContact OE2-NZ 3.3Å; E65-K82 PolarHBondContact OE2-NZ 2.86Å; E65-F83 HydrophobicContact CB-CE2 4.48Å
66	W	98	Very high	96.1	Very high	91 Å²	91	61.5 Å²	61.5	35%	0.345	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	129.2	174.1	-175.1	69.3	0	0	0	110.4	H54 G68 R69 E78 A80	H54-W66 AromaticContact ND1-NE1 3.25Å; H54-W66 PolarHBondContact ND1-NE1 3.36Å; W66-G68 VanDerWaalsContact CE2-CA 3.46Å; W66-G68 PolarHBondContact NE1-O 2.8Å; W66-G68 VanDerWaalsContact NE1-O 3.1Å; W66-R69 HydrophobicContact CZ2-CB 4.08Å; W66-R69 HydrophobicContact CZ2-CG 4.06Å; W66-E78 HydrophobicContact CH2-CB 4.27Å; W66-E78 HydrophobicContact CH2-CG 3.98Å; W66-A80 HydrophobicContact CE3-CB 3.89Å; W66-A80 HydrophobicContact CZ3-CB 4.23Å; W66-A80 VanDerWaalsContact O-CB 3.23Å; W66-A80 WeakPolarHBondContact O-CB 3.23Å
67	I	98.4	Very high	96.1	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-47.7	179	-59.4	178.3	0	0	0	109.9	W55 K57 E65 A80 F83 A87 L100 Y113	W55-I67 HydrophobicContact CB-CB 4.12Å; W55-I67 HydrophobicContact CB-CD1 4.24Å; W55-I67 WeakPolarHBondContact O-CB 3.41Å; W55-I67 PolarHBondContact O-N 2.64Å; K57-I67 HydrophobicContact CB-CD1 4.06Å; K57-I67 HydrophobicContact CB-CG1 4.15Å; E65-I67 PolarHBondContact O-N 3Å; I67-A80 PolarHBondContact O-N 2.79Å; I67-F83 HydrophobicContact CB-CD2 4.24Å; I67-F83 HydrophobicContact CB-CE2 4.46Å; I67-F83 HydrophobicContact CB-CG 4.33Å; I67-F83 HydrophobicContact CG1-CD1 4.32Å; I67-F83 HydrophobicContact CG1-CD2 4.25Å; I67-F83 HydrophobicContact CG1-CE1 4.11Å; I67-F83 HydrophobicContact CG1-CE2 4.02Å; I67-F83 HydrophobicContact CG1-CG 4.38Å; I67-F83 HydrophobicContact CG1-CZ 3.94Å; I67-F83 HydrophobicContact CG2-CB 3.92Å; I67-F83 HydrophobicContact CG2-CD1 4.14Å; I67-F83 HydrophobicContact CG2-CD2 4.24Å; I67-F83 HydrophobicContact CG2-CG 3.85Å; I67-A87 HydrophobicContact CG2-CB 3.8Å; I67-L100 HydrophobicContact CD1-CD2 3.73Å; I67-L100 HydrophobicContact CG2-CD1 4.27Å; I67-Y113 HydrophobicContact CD1-CD1 3.65Å; I67-Y113 HydrophobicContact CD1-CE1 3.7Å
68	G	98.6	Very high	96.2	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.5	-180	-172.6	0	0	0	0	0	112.6	H54 W55 W66 E78	H54-G68 WeakPolarHBondContact CA-O 3.29Å; W55-G68 PolarHBondContact N-O 3.4Å; W66-G68 VanDerWaalsContact CE2-CA 3.46Å; W66-G68 PolarHBondContact NE1-O 2.8Å; W66-G68 VanDerWaalsContact NE1-O 3.1Å; G68-E78 CarbonylContact C-O 3.55Å; G68-E78 WeakPolarHBondContact CA-O 3.39Å
69	R	98.6	Very high	96.2	Very high	56 Å²	56	66.6 Å²	66.6	21%	0.211	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	157	167.1	67	172.3	176.8	90	8.2	111.3	M53 W66 T77 E78 M89	M53-R69 CarbonylContact O-C 3.54Å; M53-R69 WeakPolarHBondContact O-CA 3.32Å; W66-R69 HydrophobicContact CZ2-CB 4.08Å; W66-R69 HydrophobicContact CZ2-CG 4.06Å; R69-T77 WeakPolarHBondContact O-CA 3.16Å; R69-E78 HydrophobicContact CG-CB 4.04Å; R69-E78 IonicContact CZ-OE2 3.36Å; R69-E78 PolarHBondContact N-O 2.85Å; R69-E78 IonicContact NE-OE2 3.01Å; R69-E78 PolarHBondContact NE-OE2 2.82Å; R69-E78 IonicContact NH2-OE2 2.86Å; R69-E78 PolarHBondContact NH2-OE2 2.98Å; R69-E78 PolarHBondContact O-N 3.37Å; R69-M89 WeakPolarHBondContact O-CE 3.38Å
70	I	98.8	Very high	96.5	Very high	4 Å²	4	66 Å²	66	2%	0.021	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.5	163.4	-175.7	164.8	0	0	0	109.1	Y52 M53 P72 D76 T77 M89 T90 A91	Y52-I70 WeakPolarHBondContact CA-O 3.39Å; M53-I70 HydrophobicContact CB-CG2 3.78Å; M53-I70 PolarHBondContact N-O 2.77Å; M53-I70 PolarHBondContact O-N 3.02Å; I70-P72 WeakPolarHBondContact O-CD 3.23Å; I70-D76 CarbonylContact C-O 3.59Å; I70-D76 WeakPolarHBondContact CA-O 3.4Å; I70-T77 HydrophobicContact CB-CG2 3.86Å; I70-T77 HydrophobicContact CD1-CG2 3.89Å; I70-T77 HydrophobicContact CG1-CG2 3.73Å; I70-M89 HydrophobicContact CB-CB 4.13Å; I70-M89 HydrophobicContact CG2-CB 4.44Å; I70-T90 VanDerWaalsContact CD1-CA 3.49Å; I70-A91 HydrophobicContact CD1-CB 4.04Å
71	D	98.6	Very high	96.8	Very high	19 Å²	19	66.6 Å²	66.6	10%	0.102	36%	0.355	C	S	.	.			trans	-85.2	111	158.9	-168.4	-28.7	0	0	0	108.6	Y52 E73 D74 G75 D76	Y52-D71 HydrophobicContact CD1-CB 3.72Å; Y52-D71 HydrophobicContact CE1-CB 3.58Å; Y52-D71 WeakPolarHBondContact CE1-OD2 3.22Å; D71-E73 PolarHBondContact O-N 3.22Å; D71-E73 VanDerWaalsContact OD1-CB 3.3Å; D71-E73 WeakPolarHBondContact OD1-CB 3.45Å; D71-E73 PolarHBondContact OD1-N 2.65Å; D71-D74 VanDerWaalsContact CB-OD1 3.31Å; D71-D74 WeakPolarHBondContact CB-OD1 3.39Å; D71-G75 CarbonylContact O-C 3.52Å; D71-G75 WeakPolarHBondContact O-CA 3.26Å; D71-G75 PolarHBondContact O-N 3.46Å; D71-D76 HydrophobicContact CB-CB 4.4Å; D71-D76 PolarHBondContact N-O 2.84Å
72	P	98.5	Very high	97.2	Very high	7 Å²	7	62.6 Å²	62.6	5%	0.045	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-15	179.8	-20.3	37.3	0	0	0	113.5	I48 Y51 M53 I70 A91 T93	I48-P72 HydrophobicContact CG1-CB 4.49Å; I48-P72 HydrophobicContact CG1-CG 4.04Å; I48-P72 HydrophobicContact CG2-CB 4.01Å; I48-P72 HydrophobicContact CG2-CG 4.48Å; I48-P72 VanDerWaalsContact O-CG 3.26Å; I48-P72 WeakPolarHBondContact O-CG 3.32Å; Y51-P72 WeakPolarHBondContact O-CD 3.42Å; Y51-P72 WeakPolarHBondContact O-CG 2.98Å; M53-P72 HydrophobicContact CB-CG 4.47Å; M53-P72 HydrophobicContact CG-CG 3.79Å; I70-P72 WeakPolarHBondContact O-CD 3.23Å; P72-A91 HydrophobicContact CB-CB 3.81Å; P72-A91 HydrophobicContact CG-CB 4.28Å; P72-T93 HydrophobicContact CB-CG2 4.22Å; P72-T93 WeakPolarHBondContact O-CG2 3.33Å
73	E	98	Very high	97.5	Very high	132 Å²	132	58.1 Å²	58.1	62%	0.617	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-47.3	178.7	-179	165.5	-146.5	0	0	112	D71	D71-E73 PolarHBondContact O-N 3.22Å; D71-E73 VanDerWaalsContact OD1-CB 3.3Å; D71-E73 WeakPolarHBondContact OD1-CB 3.45Å; D71-E73 PolarHBondContact OD1-N 2.65Å
74	D	97.4	Very high	97.8	Very high	97 Å²	97	61.7 Å²	61.7	52%	0.519	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-14	-176.3	61.7	13.8	0	0	0	114.1	D71 D76	D71-D74 VanDerWaalsContact CB-OD1 3.31Å; D71-D74 WeakPolarHBondContact CB-OD1 3.39Å; D74-D76 VanDerWaalsContact OD1-CB 3.31Å; D74-D76 WeakPolarHBondContact OD1-CB 3.14Å; D74-D76 PolarHBondContact OD1-N 3.46Å
75	G	97.8	Very high	97.8	Very high	40 Å²	40	59.8 Å²	59.8	41%	0.412	33%	0.325	S	S	.	.			trans	88.1	7.4	-178.7	0	0	0	0	0	114.3	D71	D71-G75 CarbonylContact O-C 3.52Å; D71-G75 WeakPolarHBondContact O-CA 3.26Å; D71-G75 PolarHBondContact O-N 3.46Å
76	D	98.4	Very high	97.8	Very high	105 Å²	105	59.9 Å²	59.9	56%	0.561	33%	0.325	S	S	*	.			trans	-65.6	136.7	-179.6	-85.5	-2.7	0	0	0	111.2	I70 D71 D74	I70-D76 CarbonylContact C-O 3.59Å; I70-D76 WeakPolarHBondContact CA-O 3.4Å; D71-D76 HydrophobicContact CB-CB 4.4Å; D71-D76 PolarHBondContact N-O 2.84Å; D74-D76 VanDerWaalsContact OD1-CB 3.31Å; D74-D76 WeakPolarHBondContact OD1-CB 3.14Å; D74-D76 PolarHBondContact OD1-N 3.46Å
77	T	98.6	Very high	97.8	Very high	59 Å²	59	55.8 Å²	55.8	36%	0.362	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.9	-175.8	49.1	0	0	0	0	111.9	R69 I70 Y79 M89	R69-T77 WeakPolarHBondContact O-CA 3.16Å; I70-T77 HydrophobicContact CB-CG2 3.86Å; I70-T77 HydrophobicContact CD1-CG2 3.89Å; I70-T77 HydrophobicContact CG1-CG2 3.73Å; T77-Y79 VanDerWaalsContact CB-CE2 3.49Å; T77-Y79 HydrophobicContact CG2-CE2 4.47Å; T77-Y79 VanDerWaalsContact OG1-CE2 3.26Å; T77-Y79 WeakPolarHBondContact OG1-CE2 2.94Å; T77-Y79 PolarHBondContact OG1-OH 3.2Å; T77-M89 HydrophobicContact CG2-CB 4.06Å; T77-M89 HydrophobicContact CG2-CE 4.34Å
78	E	98.4	Very high	97.8	Very high	94 Å²	94	59 Å²	59	44%	0.439	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132	173.8	-170.1	-177.3	170.3	0	0	108.8	W66 G68 R69 M89	W66-E78 HydrophobicContact CH2-CB 4.27Å; W66-E78 HydrophobicContact CH2-CG 3.98Å; G68-E78 CarbonylContact C-O 3.55Å; G68-E78 WeakPolarHBondContact CA-O 3.39Å; R69-E78 HydrophobicContact CG-CB 4.04Å; R69-E78 IonicContact CZ-OE2 3.36Å; R69-E78 PolarHBondContact N-O 2.85Å; R69-E78 IonicContact NE-OE2 3.01Å; R69-E78 PolarHBondContact NE-OE2 2.82Å; R69-E78 IonicContact NH2-OE2 2.86Å; R69-E78 PolarHBondContact NH2-OE2 2.98Å; R69-E78 PolarHBondContact O-N 3.37Å; E78-M89 WeakPolarHBondContact O-CE 3.32Å
79	Y	98.6	Very high	97.8	Very high	48 Å²	48	59.3 Å²	59.3	19%	0.188	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.1	-175.4	-61	-93.8	0	0	0	110.6	T77 A87 M89	T77-Y79 VanDerWaalsContact CB-CE2 3.49Å; T77-Y79 HydrophobicContact CG2-CE2 4.47Å; T77-Y79 VanDerWaalsContact OG1-CE2 3.26Å; T77-Y79 WeakPolarHBondContact OG1-CE2 2.94Å; T77-Y79 PolarHBondContact OG1-OH 3.2Å; Y79-A87 HydrophobicContact CD1-CB 4.2Å; Y79-A87 HydrophobicContact CE1-CB 4.15Å; Y79-A87 WeakPolarHBondContact CE1-O 3.48Å; Y79-M89 HydrophobicContact CD1-CE 3.6Å; Y79-M89 HydrophobicContact CD2-CE 4.48Å; Y79-M89 HydrophobicContact CE1-CE 3.31Å; Y79-M89 HydrophobicContact CE1-CG 4.28Å; Y79-M89 HydrophobicContact CE2-CE 4.25Å; Y79-M89 HydrophobicContact CG-CE 4.17Å; Y79-M89 PolarHBondContact OH-N 3.02Å; Y79-M89 VanDerWaalsContact OH-N 3.11Å
80	A	98.2	Very high	97.8	Very high	16 Å²	16	59.5 Å²	59.5	13%	0.132	34%	0.339	C	S	.	.			trans	-61.8	138.8	161.6	0	0	0	0	0	109.7	W66 I67 K82 F83 Q84	W66-A80 HydrophobicContact CE3-CB 3.89Å; W66-A80 HydrophobicContact CZ3-CB 4.23Å; W66-A80 VanDerWaalsContact O-CB 3.23Å; W66-A80 WeakPolarHBondContact O-CB 3.23Å; I67-A80 PolarHBondContact O-N 2.79Å; A80-K82 PolarHBondContact O-N 2.79Å; A80-F83 HydrophobicContact CB-CD2 4.08Å; A80-F83 PolarHBondContact O-N 2.97Å; A80-Q84 PolarHBondContact O-N 2.85Å
81	P	97.7	Very high	97.8	Very high	108 Å²	108	60.9 Å²	60.9	70%	0.701	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-52.1	-34.7	-175.7	-30.5	35.5	0	0	0	114.5	F83 Q84	P81-F83 PolarHBondContact O-N 2.81Å; P81-Q84 PolarHBondContact O-N 2.87Å
82	K	95.3	Very high	97.8	Very high	123 Å²	123	62.7 Å²	62.7	54%	0.535	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-62.8	-25.2	178.7	-176.4	175.3	-178.9	174.4	0	114.1	E65 A80	E65-K82 IonicContact OE1-NZ 2.69Å; E65-K82 IonicContact OE2-NZ 3.3Å; E65-K82 PolarHBondContact OE2-NZ 2.86Å; A80-K82 PolarHBondContact O-N 2.79Å
83	F	97.1	Very high	97.8	Very high	7 Å²	7	65.2 Å²	65.2	3%	0.031	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-107.6	-4	-175.8	-63.7	-81.9	0	0	0	113.2	K57 E65 I67 A80 P81 G85 K86 A87	K57-F83 HydrophobicContact CB-CZ 4.49Å; K57-F83 HydrophobicContact CD-CE1 4.11Å; K57-F83 HydrophobicContact CD-CZ 3.98Å; E65-F83 HydrophobicContact CB-CE2 4.48Å; I67-F83 HydrophobicContact CB-CD2 4.24Å; I67-F83 HydrophobicContact CB-CE2 4.46Å; I67-F83 HydrophobicContact CB-CG 4.33Å; I67-F83 HydrophobicContact CG1-CD1 4.32Å; I67-F83 HydrophobicContact CG1-CD2 4.25Å; I67-F83 HydrophobicContact CG1-CE1 4.11Å; I67-F83 HydrophobicContact CG1-CE2 4.02Å; I67-F83 HydrophobicContact CG1-CG 4.38Å; I67-F83 HydrophobicContact CG1-CZ 3.94Å; I67-F83 HydrophobicContact CG2-CB 3.92Å; I67-F83 HydrophobicContact CG2-CD1 4.14Å; I67-F83 HydrophobicContact CG2-CD2 4.24Å; I67-F83 HydrophobicContact CG2-CG 3.85Å; A80-F83 HydrophobicContact CB-CD2 4.08Å; A80-F83 PolarHBondContact O-N 2.97Å; P81-F83 PolarHBondContact O-N 2.81Å; F83-G85 PolarHBondContact O-N 3.43Å; F83-K86 PolarHBondContact O-N 2.78Å; F83-A87 HydrophobicContact CB-CB 4.05Å; F83-A87 PolarHBondContact O-N 3.26Å
84	Q	96.4	Very high	97.8	Very high	127 Å²	127	64.1 Å²	64.1	59%	0.593	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	130.7	173.5	-73.7	-177.4	-8.4	0	0	110.6	A80 P81 K86	A80-Q84 PolarHBondContact O-N 2.85Å; P81-Q84 PolarHBondContact O-N 2.87Å; Q84-K86 PolarHBondContact O-N 3.34Å
85	G	96	Very high	97.8	Very high	79 Å²	79	61.6 Å²	61.6	81%	0.814	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	-11.2	-176.7	0	0	0	0	0	115.2	F83	F83-G85 PolarHBondContact O-N 3.43Å
86	K	97.3	Very high	97.8	Very high	46 Å²	46	61.1 Å²	61.1	20%	0.2	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-37.5	175.3	-169.3	169.4	-169.8	169.4	0	112.9	F83 Q84 L102 S103 D109	F83-K86 PolarHBondContact O-N 2.78Å; Q84-K86 PolarHBondContact O-N 3.34Å; K86-L102 WeakPolarHBondContact O-CA 3.44Å; K86-S103 WeakPolarHBondContact CG-O 3.01Å; K86-S103 PolarHBondContact O-N 2.82Å; K86-S103 PolarHBondContact O-OG 2.88Å; K86-D109 WeakPolarHBondContact CE-OD2 3.13Å; K86-D109 IonicContact NZ-OD1 3.07Å; K86-D109 PolarHBondContact NZ-OD1 3.1Å; K86-D109 IonicContact NZ-OD2 2.57Å; K86-D109 PolarHBondContact NZ-OD2 3.18Å
87	A	98.3	Very high	97.8	Very high	5 Å²	5	56.4 Å²	56.4	4%	0.041	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	145.3	177.2	0	0	0	0	0	110.9	I67 Y79 F83 L100 Q101 L102	I67-A87 HydrophobicContact CG2-CB 3.8Å; Y79-A87 HydrophobicContact CD1-CB 4.2Å; Y79-A87 HydrophobicContact CE1-CB 4.15Å; Y79-A87 WeakPolarHBondContact CE1-O 3.48Å; F83-A87 HydrophobicContact CB-CB 4.05Å; F83-A87 PolarHBondContact O-N 3.26Å; A87-L100 HydrophobicContact CB-CD1 3.91Å; A87-Q101 CarbonylContact C-O 3.5Å; A87-Q101 WeakPolarHBondContact CA-O 3.3Å; A87-L102 HydrophobicContact CB-CD2 3.86Å
88	T	98.5	Very high	97.8	Very high	68 Å²	68	53.6 Å²	53.6	42%	0.417	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	121	168.8	-56.9	0	0	0	0	107.9	Q101	T88-Q101 PolarHBondContact N-O 2.87Å; T88-Q101 PolarHBondContact O-N 3.47Å
89	M	98.6	Very high	97.8	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.03	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	139.9	177	-64.3	173.7	-72	0	0	109.9	W55 R69 I70 T77 E78 Y79 Y99 L100	W55-M89 VanDerWaalsContact CD1-SD 3.59Å; W55-M89 HydrophobicContact CG-SD 4.38Å; R69-M89 WeakPolarHBondContact O-CE 3.38Å; I70-M89 HydrophobicContact CB-CB 4.13Å; I70-M89 HydrophobicContact CG2-CB 4.44Å; T77-M89 HydrophobicContact CG2-CB 4.06Å; T77-M89 HydrophobicContact CG2-CE 4.34Å; E78-M89 WeakPolarHBondContact O-CE 3.32Å; Y79-M89 HydrophobicContact CD1-CE 3.6Å; Y79-M89 HydrophobicContact CD2-CE 4.48Å; Y79-M89 HydrophobicContact CE1-CE 3.31Å; Y79-M89 HydrophobicContact CE1-CG 4.28Å; Y79-M89 HydrophobicContact CE2-CE 4.25Å; Y79-M89 HydrophobicContact CG-CE 4.17Å; Y79-M89 PolarHBondContact OH-N 3.02Å; Y79-M89 VanDerWaalsContact OH-N 3.11Å; M89-Y99 WeakPolarHBondContact CA-O 3.42Å; M89-L100 HydrophobicContact CG-CD1 3.93Å
90	T	98.5	Very high	97.8	Very high	59 Å²	59	49.3 Å²	49.3	36%	0.362	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160.3	174.8	53.2	0	0	0	0	109.2	I70 A98 Y99	I70-T90 VanDerWaalsContact CD1-CA 3.49Å; T90-A98 CarbonylContact O-C 3.52Å; T90-Y99 PolarHBondContact N-O 3.26Å; T90-Y99 PolarHBondContact O-N 3.36Å
91	A	98.5	Very high	97.8	Very high	34 Å²	34	52.5 Å²	52.5	28%	0.281	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.1	175	0	0	0	0	0	110.5	I70 P72 T97	I70-A91 HydrophobicContact CD1-CB 4.04Å; P72-A91 HydrophobicContact CB-CB 3.81Å; P72-A91 HydrophobicContact CG-CB 4.28Å; A91-T97 WeakPolarHBondContact CA-O 3.22Å
92	D	98.2	Very high	97.9	Very high	56 Å²	56	47.4 Å²	47.4	30%	0.299	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	101	167.6	176	7.4	0	0	0	108.1	S94 S95 N96 T97 Y99	D92-S94 PolarHBondContact O-N 3.1Å; D92-S94 WeakPolarHBondContact OD1-CB 3.4Å; D92-S94 PolarHBondContact OD1-N 2.88Å; D92-S94 PolarHBondContact OD1-OG 2.89Å; D92-S95 WeakPolarHBondContact CB-OG 3.49Å; D92-S95 PolarHBondContact O-N 3.48Å; D92-S95 PolarHBondContact O-OG 3.04Å; D92-S95 PolarHBondContact OD1-N 3.38Å; D92-S95 VanDerWaalsContact OD2-CB 3.29Å; D92-S95 WeakPolarHBondContact OD2-CB 2.98Å; D92-S95 PolarHBondContact OD2-OG 2.91Å; D92-N96 PolarHBondContact O-N 2.93Å; D92-T97 PolarHBondContact N-O 2.91Å; D92-T97 PolarHBondContact O-N 2.91Å; D92-Y99 HydrophobicContact CB-CE2 4Å
93	T	97.7	Very high	98	Very high	61 Å²	61	43.1 Å²	43.1	37%	0.374	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-19.9	-177.6	57	0	0	0	0	112.4	I48 K49 P72	I48-T93 HydrophobicContact CG2-CG2 4.43Å; K49-T93 HydrophobicContact CD-CG2 3.95Å; K49-T93 HydrophobicContact CG-CG2 3.44Å; K49-T93 VanDerWaalsContact CG-CG2 3.44Å; P72-T93 HydrophobicContact CB-CG2 4.22Å; P72-T93 WeakPolarHBondContact O-CG2 3.33Å
94	S	97.4	Very high	98	Very high	108 Å²	108	46.6 Å²	46.6	76%	0.755	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-32.9	176.6	76.4	0	0	0	0	112.3	D92	D92-S94 PolarHBondContact O-N 3.1Å; D92-S94 WeakPolarHBondContact OD1-CB 3.4Å; D92-S94 PolarHBondContact OD1-N 2.88Å; D92-S94 PolarHBondContact OD1-OG 2.89Å
95	S	97.8	Very high	98	Very high	45 Å²	45	41 Å²	41	32%	0.315	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	7.3	176.1	68.8	0	0	0	0	113.4	D92 T97	D92-S95 WeakPolarHBondContact CB-OG 3.49Å; D92-S95 PolarHBondContact O-N 3.48Å; D92-S95 PolarHBondContact O-OG 3.04Å; D92-S95 PolarHBondContact OD1-N 3.38Å; D92-S95 VanDerWaalsContact OD2-CB 3.29Å; D92-S95 WeakPolarHBondContact OD2-CB 2.98Å; D92-S95 PolarHBondContact OD2-OG 2.91Å; S95-T97 PolarHBondContact O-N 2.82Å; S95-T97 PolarHBondContact O-OG1 2.79Å; S95-T97 PolarHBondContact OG-OG1 2.84Å
96	N	97.8	Very high	98	Very high	29 Å²	29	40.3 Å²	40.3	16%	0.155	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	36.6	-178.4	-143.3	39.8	0	0	0	113	T42 A43 F46 I48 D92	T42-N96 WeakPolarHBondContact CA-O 3.4Å; A43-N96 VanDerWaalsContact C-ND2 3.31Å; A43-N96 WeakPolarHBondContact CB-ND2 3.43Å; A43-N96 PolarHBondContact N-O 2.9Å; A43-N96 PolarHBondContact O-ND2 2.81Å; F46-N96 PolarHBondContact O-ND2 2.84Å; I48-N96 VanDerWaalsContact CB-OD1 3.22Å; I48-N96 WeakPolarHBondContact CB-OD1 3.42Å; I48-N96 WeakPolarHBondContact CG2-OD1 3.31Å; I48-N96 PolarHBondContact N-OD1 2.76Å; D92-N96 PolarHBondContact O-N 2.93Å
97	T	98.6	Very high	97.9	Very high	6 Å²	6	42.8 Å²	42.8	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.9	-169.2	-59.1	0	0	0	0	112	C41 T42 A91 D92 S95 Y99	C41-T97 CarbonylContact O-C 3.58Å; C41-T97 WeakPolarHBondContact O-CA 3.31Å; T42-T97 PolarHBondContact OG1-OG1 2.02Å; A91-T97 WeakPolarHBondContact CA-O 3.22Å; D92-T97 PolarHBondContact N-O 2.91Å; D92-T97 PolarHBondContact O-N 2.91Å; S95-T97 PolarHBondContact O-N 2.82Å; S95-T97 PolarHBondContact O-OG1 2.79Å; S95-T97 PolarHBondContact OG-OG1 2.84Å; T97-Y99 HydrophobicContact CG2-CD1 4.31Å; T97-Y99 HydrophobicContact CG2-CD2 4.4Å; T97-Y99 HydrophobicContact CG2-CE1 3.72Å; T97-Y99 HydrophobicContact CG2-CE2 3.82Å; T97-Y99 VanDerWaalsContact CG2-CZ 3.43Å
98	A	98.7	Very high	97.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	149.8	167.1	0	0	0	0	0	110.6	S40 C41 I48 M53 T90	S40-A98 CarbonylContact C-O 3.58Å; S40-A98 WeakPolarHBondContact CA-O 3.35Å; C41-A98 PolarHBondContact N-O 3.28Å; C41-A98 PolarHBondContact O-N 2.79Å; I48-A98 HydrophobicContact CD1-CB 3.87Å; M53-A98 HydrophobicContact CB-CB 4.07Å; M53-A98 HydrophobicContact CE-CB 4.37Å; M53-A98 HydrophobicContact CG-CB 4.12Å; T90-A98 CarbonylContact O-C 3.52Å
99	Y	98.7	Very high	97.5	Very high	53 Å²	53	46.2 Å²	46.2	21%	0.208	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142	178.9	-56.8	-87.7	0	0	0	111.4	K38 L39 M89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.42Å; K38-Y99 HydrophobicContact CG-CD1 4.35Å; L39-Y99 WeakPolarHBondContact O-CA 3.38Å; M89-Y99 WeakPolarHBondContact CA-O 3.42Å; T90-Y99 PolarHBondContact N-O 3.26Å; T90-Y99 PolarHBondContact O-N 3.36Å; D92-Y99 HydrophobicContact CB-CE2 4Å; T97-Y99 HydrophobicContact CG2-CD1 4.31Å; T97-Y99 HydrophobicContact CG2-CD2 4.4Å; T97-Y99 HydrophobicContact CG2-CE1 3.72Å; T97-Y99 HydrophobicContact CG2-CE2 3.82Å; T97-Y99 VanDerWaalsContact CG2-CZ 3.43Å
100	L	98.7	Very high	97.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	114.8	167.9	172.8	67	0	0	0	108.7	K38 L39 W55 I67 A87 M89 L102 Y113	K38-L100 WeakPolarHBondContact CA-O 3.46Å; L39-L100 HydrophobicContact CD1-CD2 4.41Å; L39-L100 PolarHBondContact N-O 3.32Å; L39-L100 PolarHBondContact O-N 3.38Å; W55-L100 HydrophobicContact CB-CD2 4.11Å; W55-L100 HydrophobicContact CD2-CB 3.48Å; W55-L100 VanDerWaalsContact CD2-CB 3.48Å; W55-L100 HydrophobicContact CD2-CD2 3.79Å; W55-L100 HydrophobicContact CD2-CG 4.17Å; W55-L100 VanDerWaalsContact CE2-CB 3.45Å; W55-L100 HydrophobicContact CE3-CB 3.71Å; W55-L100 HydrophobicContact CE3-CD2 3.57Å; W55-L100 HydrophobicContact CE3-CG 4.28Å; W55-L100 HydrophobicContact CG-CB 4.03Å; W55-L100 HydrophobicContact CG-CD1 4.49Å; W55-L100 HydrophobicContact CG-CD2 4.03Å; W55-L100 HydrophobicContact CG-CG 4.41Å; W55-L100 HydrophobicContact CH2-CB 3.88Å; W55-L100 HydrophobicContact CZ2-CB 3.67Å; W55-L100 HydrophobicContact CZ3-CB 3.9Å; W55-L100 HydrophobicContact CZ3-CD2 4.23Å; I67-L100 HydrophobicContact CD1-CD2 3.73Å; I67-L100 HydrophobicContact CG2-CD1 4.27Å; A87-L100 HydrophobicContact CB-CD1 3.91Å; M89-L100 HydrophobicContact CG-CD1 3.93Å; L100-L102 HydrophobicContact CD1-CD2 4.14Å; L100-L102 HydrophobicContact CD1-CG 4.45Å; L100-L102 HydrophobicContact CD2-CD1 4.23Å; L100-L102 HydrophobicContact CD2-CD2 4.3Å; L100-L102 HydrophobicContact CD2-CG 4.23Å; L100-L102 HydrophobicContact CG-CD2 4.26Å; L100-L102 HydrophobicContact CG-CG 4.09Å; L100-Y113 HydrophobicContact CD2-CD1 3.99Å
101	Q	98.6	Very high	97.2	Very high	83 Å²	83	49.1 Å²	49.1	39%	0.388	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.2	168.9	-177.4	168.5	-26.6	0	0	109.4	V37 K38 A87 T88	V37-Q101 CarbonylContact O-C 3.57Å; V37-Q101 VanDerWaalsContact O-CA 3.31Å; V37-Q101 WeakPolarHBondContact O-CA 3.34Å; K38-Q101 HydrophobicContact CG-CB 4.45Å; A87-Q101 CarbonylContact C-O 3.5Å; A87-Q101 WeakPolarHBondContact CA-O 3.3Å; T88-Q101 PolarHBondContact N-O 2.87Å; T88-Q101 PolarHBondContact O-N 3.47Å
102	L	98.2	Very high	97.2	Very high	1 Å²	1	51 Å²	51	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.8	173.4	-61	164.3	0	0	0	108.7	S36 V37 K86 A87 L100 L105 Y113	S36-L102 CarbonylContact C-O 3.55Å; S36-L102 WeakPolarHBondContact CA-O 3.33Å; S36-L102 WeakPolarHBondContact CB-O 3.13Å; V37-L102 HydrophobicContact CG1-CB 4.13Å; V37-L102 HydrophobicContact CG1-CD1 4.32Å; V37-L102 PolarHBondContact N-O 3.39Å; V37-L102 PolarHBondContact O-N 2.83Å; K86-L102 WeakPolarHBondContact O-CA 3.44Å; A87-L102 HydrophobicContact CB-CD2 3.86Å; L100-L102 HydrophobicContact CD1-CD2 4.14Å; L100-L102 HydrophobicContact CD1-CG 4.45Å; L100-L102 HydrophobicContact CD2-CD1 4.23Å; L100-L102 HydrophobicContact CD2-CD2 4.3Å; L100-L102 HydrophobicContact CD2-CG 4.23Å; L100-L102 HydrophobicContact CG-CD2 4.26Å; L100-L102 HydrophobicContact CG-CG 4.09Å; L102-L105 HydrophobicContact CB-CD2 3.72Å; L102-L105 HydrophobicContact CB-CG 4.43Å; L102-L105 HydrophobicContact CD1-CD2 4.28Å; L102-Y113 HydrophobicContact CD1-CD1 4.05Å; L102-Y113 HydrophobicContact CD1-CE1 3.38Å; L102-Y113 HydrophobicContact CD1-CE2 4.27Å
103	S	97.9	Very high	97.1	Very high	32 Å²	32	49.6 Å²	49.6	22%	0.224	30%	0.296	C	S	.	.			trans	-110.5	158.7	179.6	55.2	0	0	0	0	112.8	S36 K86 L105	S36-S103 WeakPolarHBondContact OG-CA 3.41Å; K86-S103 WeakPolarHBondContact CG-O 3.01Å; K86-S103 PolarHBondContact O-N 2.82Å; K86-S103 PolarHBondContact O-OG 2.88Å; S103-L105 VanDerWaalsContact C-N 3.33Å; S103-L105 PolarHBondContact O-N 2.85Å
104	S	97.2	Very high	97.2	Very high	80 Å²	80	51.3 Å²	51.3	56%	0.559	30%	0.297	S	S	*	.	S	Bend	trans	53.5	48.9	173.9	-55.1	0	0	0	0	112.6	A35	A35-S104 PolarHBondContact O-N 2.98Å
105	L	97.4	Very high	97.2	Very high	10 Å²	10	46.7 Å²	46.7	5%	0.052	26%	0.264	C	S	.	.			trans	-65	143.3	-173.6	-69.4	169.1	0	0	0	112.3	V31 P33 G34 A35 V37 L102 S103 D109	V31-L105 HydrophobicContact CB-CD1 4.41Å; V31-L105 HydrophobicContact CG2-CD1 3.55Å; P33-L105 CarbonylContact C-O 3.6Å; P33-L105 WeakPolarHBondContact CA-O 3.14Å; G34-L105 PolarHBondContact N-O 3.34Å; A35-L105 PolarHBondContact O-N 2.85Å; V37-L105 HydrophobicContact CB-CD1 3.96Å; V37-L105 HydrophobicContact CG1-CD1 3.73Å; L102-L105 HydrophobicContact CB-CD2 3.72Å; L102-L105 HydrophobicContact CB-CG 4.43Å; L102-L105 HydrophobicContact CD1-CD2 4.28Å; S103-L105 VanDerWaalsContact C-N 3.33Å; S103-L105 PolarHBondContact O-N 2.85Å; L105-D109 WeakPolarHBondContact CA-OD2 3.36Å; L105-D109 HydrophobicContact CD2-CB 3.58Å
106	T	96	Very high	97.2	Very high	64 Å²	64	47.4 Å²	47.4	39%	0.393	27%	0.267	S	S	.	.			trans	-121.9	173.9	175	70.9	0	0	0	0	110.1	E108 D109	T106-E108 PolarHBondContact O-N 3.25Å; T106-E108 PolarHBondContact OG1-N 3.13Å; T106-D109 PolarHBondContact N-OD2 2.91Å; T106-D109 WeakPolarHBondContact O-CB 3.5Å; T106-D109 PolarHBondContact O-N 3.08Å; T106-D109 PolarHBondContact OG1-OD2 3.33Å
107	S	94.1	Very high	97	Very high	99 Å²	99	49.9 Å²	49.9	69%	0.692	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-57.4	-28.8	174.4	51.3	0	0	0	0	112.7	D109 T110	S107-D109 PolarHBondContact O-N 3.25Å; S107-T110 WeakPolarHBondContact O-CB 3.26Å; S107-T110 PolarHBondContact O-N 3.02Å; S107-T110 VanDerWaalsContact O-N 3.15Å; S107-T110 PolarHBondContact O-OG1 3.49Å
108	E	93.1	Very high	96.9	Very high	130 Å²	130	52.1 Å²	52.1	61%	0.607	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-68.3	-12.7	176.3	-59.4	-177.4	-176.4	0	0	113.7	K57 R59 T106	K57-E108 PolarHBondContact NZ-O 2.79Å; R59-E108 PolarHBondContact NE-O 3.4Å; T106-E108 PolarHBondContact O-N 3.25Å; T106-E108 PolarHBondContact OG1-N 3.13Å
109	D	95	Very high	96.8	Very high	14 Å²	14	54.8 Å²	54.8	8%	0.075	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-89.9	-1.2	174.5	-56.4	-53.5	0	0	0	113.8	K57 K86 L105 T106 S107 A111 Y113	K57-D109 IonicContact NZ-OD1 3.16Å; K57-D109 PolarHBondContact NZ-OD1 3.24Å; K86-D109 WeakPolarHBondContact CE-OD2 3.13Å; K86-D109 IonicContact NZ-OD1 3.07Å; K86-D109 PolarHBondContact NZ-OD1 3.1Å; K86-D109 IonicContact NZ-OD2 2.57Å; K86-D109 PolarHBondContact NZ-OD2 3.18Å; L105-D109 WeakPolarHBondContact CA-OD2 3.36Å; L105-D109 HydrophobicContact CD2-CB 3.58Å; T106-D109 PolarHBondContact N-OD2 2.91Å; T106-D109 WeakPolarHBondContact O-CB 3.5Å; T106-D109 PolarHBondContact O-N 3.08Å; T106-D109 PolarHBondContact OG1-OD2 3.33Å; S107-D109 PolarHBondContact O-N 3.25Å; D109-A111 PolarHBondContact O-N 3Å; D109-Y113 WeakPolarHBondContact O-CE2 3.47Å; D109-Y113 PolarHBondContact O-OH 2.98Å
110	T	95.6	Very high	96.7	Very high	99 Å²	99	54.9 Å²	54.9	61%	0.607	32%	0.317	S	S	*	.			trans	-66.5	107.1	172.1	-48.9	0	0	0	0	109.1	S107	S107-T110 WeakPolarHBondContact O-CB 3.26Å; S107-T110 PolarHBondContact O-N 3.02Å; S107-T110 VanDerWaalsContact O-N 3.15Å; S107-T110 PolarHBondContact O-OG1 3.49Å
111	A	96.7	Very high	96.6	Very high	27 Å²	27	58.2 Å²	58.2	22%	0.223	34%	0.335	C	S	.	.	S	Bend	trans	-161.8	165.3	-171.9	0	0	0	0	0	110.8	K57 Q58 R59 D109 Y113	K57-A111 HydrophobicContact CD-CB 4.12Å; K57-A111 HydrophobicContact CG-CB 3.48Å; K57-A111 VanDerWaalsContact CG-CB 3.48Å; Q58-A111 CarbonylContact O-C 3.6Å; Q58-A111 VanDerWaalsContact O-CA 3.3Å; Q58-A111 WeakPolarHBondContact O-CA 3.46Å; Q58-A111 WeakPolarHBondContact O-CB 3.19Å; R59-A111 HydrophobicContact CG-CB 4.26Å; D109-A111 PolarHBondContact O-N 3Å; A111-Y113 HydrophobicContact CB-CD2 4.31Å; A111-Y113 HydrophobicContact CB-CE2 3.8Å
112	V	97	Very high	96.5	Very high	74 Å²	74	56.6 Å²	56.6	45%	0.448	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135.2	159.1	-172.4	0	0	0	0	107.9	Q58 Y114	Q58-V112 PolarHBondContact N-O 3.46Å; Q58-V112 PolarHBondContact O-N 3.4Å; V112-Y114 HydrophobicContact CB-CE2 3.91Å; V112-Y114 HydrophobicContact CG1-CD1 4.37Å; V112-Y114 HydrophobicContact CG1-CD2 4.17Å; V112-Y114 HydrophobicContact CG1-CE1 3.79Å; V112-Y114 HydrophobicContact CG1-CE2 3.55Å
113	Y	97.9	Very high	96.4	Very high	27 Å²	27	60.3 Å²	60.3	11%	0.106	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.9	176.9	-71.5	-94.8	0	0	0	108.1	Q25 L39 V56 K57 I67 L100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 3.24Å; Q25-Y113 PolarHBondContact OE1-O 3.15Å; L39-Y113 HydrophobicContact CD1-CD1 4.34Å; L39-Y113 HydrophobicContact CD1-CD2 4.2Å; L39-Y113 HydrophobicContact CD1-CG 3.78Å; V56-Y113 CarbonylContact O-C 3.59Å; V56-Y113 WeakPolarHBondContact O-CA 3.49Å; K57-Y113 HydrophobicContact CB-CD1 4.34Å; K57-Y113 HydrophobicContact CB-CE1 4.11Å; K57-Y113 HydrophobicContact CD-CE1 4.1Å; K57-Y113 HydrophobicContact CG-CD1 4.43Å; K57-Y113 HydrophobicContact CG-CE1 3.9Å; I67-Y113 HydrophobicContact CD1-CD1 3.65Å; I67-Y113 HydrophobicContact CD1-CE1 3.7Å; L100-Y113 HydrophobicContact CD2-CD1 3.99Å; L102-Y113 HydrophobicContact CD1-CD1 4.05Å; L102-Y113 HydrophobicContact CD1-CE1 3.38Å; L102-Y113 HydrophobicContact CD1-CE2 4.27Å; D109-Y113 WeakPolarHBondContact O-CE2 3.47Å; D109-Y113 PolarHBondContact O-OH 2.98Å; A111-Y113 HydrophobicContact CB-CD2 4.31Å; A111-Y113 HydrophobicContact CB-CE2 3.8Å
114	Y	97.9	Very high	96.2	Very high	96 Å²	96	62.4 Å²	62.4	38%	0.376	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.8	179.3	-63.3	-77.9	0	0	0	110.1	W55 V56 Q58 V112	W55-Y114 WeakPolarHBondContact CA-O 3.18Å; V56-Y114 PolarHBondContact N-O 3.49Å; V56-Y114 PolarHBondContact O-N 3.06Å; Q58-Y114 HydrophobicContact CB-CD2 4.46Å; Q58-Y114 HydrophobicContact CB-CE2 3.93Å; Q58-Y114 PolarHBondContact OE1-OH 3.14Å; V112-Y114 HydrophobicContact CB-CE2 3.91Å; V112-Y114 HydrophobicContact CG1-CD1 4.37Å; V112-Y114 HydrophobicContact CG1-CD2 4.17Å; V112-Y114 HydrophobicContact CG1-CE1 3.79Å; V112-Y114 HydrophobicContact CG1-CE2 3.55Å
115	C	98.2	Very high	96.2	Very high	11 Å²	11	61 Å²	61	7%	0.074	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	146.3	158.2	62.5	0	0	0	0	109.9	Q25 C41 M53 H54 W55	Q25-C115 WeakPolarHBondContact CG-SG 3.4Å; C41-C115 HydrophobicContact CB-CB 3.43Å; C41-C115 VanDerWaalsContact CB-CB 3.43Å; C41-C115 WeakPolarHBondContact CB-SG 3.15Å; C41-C115 WeakPolarHBondContact SG-CB 3.49Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 2.86Å; M53-C115 HydrophobicContact CE-CB 4.42Å; H54-C115 CarbonylContact O-C 3.53Å; H54-C115 WeakPolarHBondContact O-CA 3.39Å; W55-C115 HydrophobicContact CD2-CB 4.35Å; W55-C115 HydrophobicContact CE3-CB 4.24Å; W55-C115 HydrophobicContact CH2-CB 4.18Å; W55-C115 HydrophobicContact CZ2-CB 4.25Å; W55-C115 HydrophobicContact CZ3-CB 4.17Å
116	T	97.6	Very high	96.1	Very high	61 Å²	61	65.3 Å²	65.3	37%	0.374	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	161.5	178.7	-174.3	0	0	0	0	110.1	H54 V56	H54-T116 HydrophobicContact CB-CG2 3.61Å; H54-T116 PolarHBondContact N-O 3.46Å; H54-T116 PolarHBondContact O-N 3.01Å; V56-T116 HydrophobicContact CG2-CG2 4.24Å
117	T	93.7	Very high	96.1	Very high	81 Å²	81	65.4 Å²	65.4	50%	0.497	37%	0.371	S	S	.	.			trans	-127.5	0	175.9	173.5	0	0	0	0	109.5	L23 F46 Y51	L23-T117 HydrophobicContact CD1-CG2 4.42Å; F46-T117 HydrophobicContact CZ-CG2 4.14Å; Y51-T117 WeakPolarHBondContact CB-OG1 3.44Å; Y51-T117 WeakPolarHBondContact CD1-OG1 3.12Å

Retrieved 117 of 117 residues in 68.1 ms (Link to these results)

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