A0A075B5R7_MOUSE Loading...

Immunoglobulin heavy variable 14-2

AlphaFold DB , UniProt , Accession A0A075B5R7, Species MOUSE (Mus musculus, Mouse), Gene Ighv14-2, Length 117 aa.

						>A0A075B5R7_MOUSE|A0A075B5R7|Ighv14-2
MKCSWIIFFLMAVVTGVNSEVQLQQSGAELVKPGASVKLSCTASGFNIKDYYMHWVKQRTEQGLEWIGRIDPEDGETKYAPKFQGKATITADTSSNTAYLQLSSLTSEDTAVYYCAR
					

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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	50.5	Low	59.5	Low	241 Å²	241	156.5 Å²	156.5	100%	1.187	76%	0.761	S	S	*	*				0	35	0	-126.3	162	64.7	0	0	112.9
2	K	57.3	Low	59.6	Low	202 Å²	202	150.4 Å²	150.4	88%	0.878	76%	0.756	S	S	*	*			trans	-102.1	-11.9	-174.2	-93.9	176.2	168.7	-179.9	0	114.7
3	C	57	Low	60.2	Low	104 Å²	104	148 Å²	148	70%	0.703	75%	0.753	S	S	*	*	S	Bend	trans	-86.3	-18.4	-177.5	-94.9	0	0	0	0	115	W5	C3-W5 VanDerWaalsContact C-N 3.32Å; C3-W5 PolarHBondContact O-N 3.33Å
4	S	65	Low	60.6	Low	79 Å²	79	146.8 Å²	146.8	55%	0.552	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-21.9	-169.6	-161.3	0	0	0	0	113.9
5	W	58.7	Low	60.8	Low	218 Å²	218	144.9 Å²	144.9	83%	0.826	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-22.9	-175.9	-111.6	-14.8	0	0	0	114.6	C3 I7 F8	C3-W5 VanDerWaalsContact C-N 3.32Å; C3-W5 PolarHBondContact O-N 3.33Å; W5-I7 VanDerWaalsContact C-N 3.27Å; W5-I7 PolarHBondContact O-N 3.37Å; W5-F8 PolarHBondContact O-N 3.41Å
6	I	63.4	Low	60.8	Low	117 Å²	117	139.3 Å²	139.3	60%	0.6	74%	0.743	S	S	*	*	H	α-helix	trans	-68.6	-30.9	179.5	-61	172.6	0	0	0	110.8	F8 F9	I6-F8 VanDerWaalsContact C-N 3.32Å; I6-F8 PolarHBondContact O-N 3.49Å; I6-F9 PolarHBondContact O-N 3.43Å
7	I	62.7	Low	61.2	Low	121 Å²	121	138.9 Å²	138.9	62%	0.621	75%	0.746	S	S	*	*	H	α-helix	trans	-67.4	-32.9	-179.8	-57.3	175.7	0	0	0	111.5	W5	W5-I7 VanDerWaalsContact C-N 3.27Å; W5-I7 PolarHBondContact O-N 3.37Å
8	F	58.1	Low	61.2	Low	155 Å²	155	138.7 Å²	138.7	68%	0.68	75%	0.745	S	S	*	*	H	α-helix	trans	-74.7	-27.7	-178.5	-81.2	-78.9	0	0	0	113.9	W5 I6	W5-F8 PolarHBondContact O-N 3.41Å; I6-F8 VanDerWaalsContact C-N 3.32Å; I6-F8 PolarHBondContact O-N 3.49Å
9	F	59.3	Low	61.6	Low	184 Å²	184	137.4 Å²	137.4	81%	0.807	75%	0.747	S	S	*	*	H	α-helix	trans	-77.6	-22.9	-177.4	-106.4	-87	0	0	0	114.2	I6	I6-F9 PolarHBondContact O-N 3.43Å
10	L	59.6	Low	62.8	Low	138 Å²	138	137.4 Å²	137.4	72%	0.723	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-8.3	-177.1	-83.6	160.7	0	0	0	114.6	A12	L10-A12 VanDerWaalsContact C-N 3.33Å; L10-A12 PolarHBondContact O-N 3.1Å
11	M	62.4	Low	64.2	Low	162 Å²	162	134.4 Å²	134.4	80%	0.798	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-0.9	-176.1	-73.1	-92.8	-79.4	0	0	114.3	V13	M11-V13 PolarHBondContact O-N 3.3Å
12	A	61.7	Low	66.3	Low	84 Å²	84	127.8 Å²	127.8	69%	0.694	70%	0.695	S	S	*	*			trans	-84.3	57.9	174.6	0	0	0	0	0	111.5	L10 V14	L10-A12 VanDerWaalsContact C-N 3.33Å; L10-A12 PolarHBondContact O-N 3.1Å; A12-V14 VanDerWaalsContact C-N 3.33Å; A12-V14 PolarHBondContact O-N 2.99Å; A12-V14 VanDerWaalsContact O-N 3.08Å
13	V	67.5	Low	68.2	Low	119 Å²	119	120.9 Å²	120.9	72%	0.721	67%	0.667	S	S	*	*			trans	-74.5	96.3	162.2	-179.3	0	0	0	0	106.1	M11 T15	M11-V13 PolarHBondContact O-N 3.3Å; V13-T15 PolarHBondContact O-N 2.79Å
14	V	65.3	Low	70.1	Confident	131 Å²	131	121.8 Å²	121.8	79%	0.794	66%	0.661	S	S	*	*			trans	-61.5	103.7	172.3	170.8	0	0	0	0	107.6	A12 G16	A12-V14 VanDerWaalsContact C-N 3.33Å; A12-V14 PolarHBondContact O-N 2.99Å; A12-V14 VanDerWaalsContact O-N 3.08Å; V14-G16 PolarHBondContact O-N 2.82Å
15	T	63	Low	71.7	Confident	119 Å²	119	120.5 Å²	120.5	73%	0.73	65%	0.646	S	S	*	*			trans	-73.2	82.4	168.3	54.4	0	0	0	0	107.8	V13 V17	V13-T15 PolarHBondContact O-N 2.79Å; T15-V17 PolarHBondContact O-N 3.16Å; T15-V17 VanDerWaalsContact O-N 3.08Å
16	G	61.7	Low	73.5	Confident	55 Å²	55	111.7 Å²	111.7	57%	0.567	62%	0.617	S	S	*	*			trans	-64	105.8	163.2	0	0	0	0	0	107.8	V14 N18	V14-G16 PolarHBondContact O-N 2.82Å; G16-N18 VanDerWaalsContact C-N 3.34Å; G16-N18 PolarHBondContact O-N 3.04Å; G16-N18 VanDerWaalsContact O-N 3.09Å
17	V	66.8	Low	75	Confident	133 Å²	133	109 Å²	109	81%	0.806	62%	0.618	S	S	*	*			trans	-76.8	94.2	168.9	-178.3	0	0	0	0	106.2	T15 S19	T15-V17 PolarHBondContact O-N 3.16Å; T15-V17 VanDerWaalsContact O-N 3.08Å; V17-S19 PolarHBondContact O-N 3.2Å
18	N	61.6	Low	76.5	Confident	135 Å²	135	108.6 Å²	108.6	72%	0.722	63%	0.634	S	S	*	*			trans	-69.7	117.9	165.8	-69.1	-22.9	0	0	0	106.8	G16 E20	G16-N18 VanDerWaalsContact C-N 3.34Å; G16-N18 PolarHBondContact O-N 3.04Å; G16-N18 VanDerWaalsContact O-N 3.09Å; N18-E20 PolarHBondContact O-N 3.28Å
19	S	69.7	Low	78.2	Confident	113 Å²	113	105.8 Å²	105.8	79%	0.79	62%	0.623	S	S	*	*			trans	-72.6	74	169.2	53.7	0	0	0	0	108.7	V17	V17-S19 PolarHBondContact O-N 3.2Å
20	E	85.1	Confident	79.9	Confident	138 Å²	138	105.7 Å²	105.7	65%	0.645	63%	0.629	S	S	*	*			trans	-81.8	140.9	179.3	-168	169.1	-178.2	0	0	110.4	N18 Q22	N18-E20 PolarHBondContact O-N 3.28Å; E20-Q22 PolarHBondContact O-N 2.98Å
21	V	91.3	Very high	81.6	Confident	74 Å²	74	101.8 Å²	101.8	45%	0.448	61%	0.611	S	S	.	*			trans	-75.3	120.5	172.3	168	0	0	0	0	108.3	S44 F46	V21-S44 WeakPolarHBondContact CA-O 3.4Å; V21-F46 HydrophobicContact CG1-CD1 3.67Å; V21-F46 HydrophobicContact CG1-CE1 3.87Å
22	Q	94.7	Very high	83.1	Confident	103 Å²	103	102.2 Å²	102.2	48%	0.481	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-144.5	154.4	-177.5	58.2	178.6	-3.9	0	0	112.1	E20 S44	E20-Q22 PolarHBondContact O-N 2.98Å; Q22-S44 WeakPolarHBondContact CG-OG 3.48Å; Q22-S44 PolarHBondContact N-O 2.89Å; Q22-S44 PolarHBondContact NE2-OG 3.46Å; Q22-S44 PolarHBondContact O-N 2.69Å
23	L	97.5	Very high	84.7	Confident	56 Å²	56	103.9 Å²	103.9	29%	0.293	61%	0.612	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.2	110.3	171.8	-69.7	-179.2	0	0	0	108.2	T42 A43 F46 M53 R117	L23-T42 WeakPolarHBondContact CA-O 3.47Å; L23-A43 HydrophobicContact CD2-CB 3.89Å; L23-F46 HydrophobicContact CD2-CE1 4.07Å; L23-F46 HydrophobicContact CD2-CZ 3.71Å; L23-M53 HydrophobicContact CD1-CE 4.08Å; L23-M53 HydrophobicContact CD2-CE 3.9Å; L23-R117 HydrophobicContact CD1-CB 4.42Å
24	Q	97.6	Very high	86	Confident	123 Å²	123	100.8 Å²	100.8	58%	0.575	60%	0.604	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.3	116.7	179	-178.3	60.4	41.7	0	0	110	C41 T42	Q24-C41 CarbonylContact O-C 3.53Å; Q24-C41 WeakPolarHBondContact O-CA 3.45Å; Q24-T42 PolarHBondContact N-O 3.06Å; Q24-T42 PolarHBondContact O-N 3.31Å
25	Q	98.3	Very high	87.6	Confident	53 Å²	53	96.2 Å²	96.2	25%	0.248	58%	0.58	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-91	155.8	178.8	-73.3	-176.6	-153.9	0	0	113.3	S40 C41 Y113 Y114 C115	Q25-S40 CarbonylContact C-O 3.58Å; Q25-S40 VanDerWaalsContact CA-O 3.27Å; Q25-S40 WeakPolarHBondContact CA-O 3.39Å; Q25-C41 HydrophobicContact CG-CB 4.35Å; Q25-Y113 PolarHBondContact NE2-O 3.21Å; Q25-Y114 VanDerWaalsContact OE1-CA 3.25Å; Q25-C115 WeakPolarHBondContact CG-SG 3.21Å; Q25-C115 PolarHBondContact OE1-SG 2.72Å
26	S	96.9	Very high	89.2	Confident	32 Å²	32	93.5 Å²	93.5	22%	0.224	57%	0.567	C	S	.	*	P	Polyproline II helix	trans	-57.6	152	164.1	55.5	0	0	0	0	111.1	L39 S40	S26-L39 WeakPolarHBondContact OG-CA 3.48Å; S26-S40 WeakPolarHBondContact CB-OG 3.11Å; S26-S40 PolarHBondContact N-O 3.33Å; S26-S40 PolarHBondContact OG-N 2.97Å; S26-S40 VanDerWaalsContact OG-N 3.07Å
27	G	95	Very high	90.9	Very high	60 Å²	60	91.6 Å²	91.6	62%	0.619	54%	0.544	S	S	*	.			trans	-68.3	-178.8	178.1	0	0	0	0	0	113.4
28	A	94.2	Very high	92.4	Very high	114 Å²	114	90.3 Å²	90.3	94%	0.942	53%	0.527	S	S	*	.			trans	-66.6	133.4	175.5	0	0	0	0	0	111
29	E	93.7	Very high	94.1	Very high	96 Å²	96	84.7 Å²	84.7	45%	0.449	50%	0.497	S	S	.	.			trans	-116.7	125.8	177.1	-70.3	-174.4	-143.1	0	0	110.2	V37	E29-V37 HydrophobicContact CB-CG2 3.78Å; E29-V37 HydrophobicContact CG-CG2 4.26Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.36Å
30	L	94.2	Very high	95.5	Very high	181 Å²	181	80.9 Å²	80.9	95%	0.948	47%	0.47	S	S	*	.			trans	-102.9	115.8	172.5	-176.8	65.7	0	0	0	108.9
31	V	94.7	Very high	96.1	Very high	57 Å²	57	74.3 Å²	74.3	35%	0.345	44%	0.44	S	S	.	.			trans	-127.1	158.7	-176.6	-62.1	0	0	0	0	111.1	A35 V37 L105	V31-A35 HydrophobicContact CB-CB 4.29Å; V31-V37 HydrophobicContact CG1-CG2 4.41Å; V31-L105 HydrophobicContact CG2-CD1 3.37Å
32	K	94.4	Very high	96.5	Very high	171 Å²	171	73.3 Å²	73.3	74%	0.743	43%	0.434	S	S	*	.			trans	-73.7	150.2	177.5	-63.7	-179.3	-177.1	178.2	0	110.5	A35	K32-A35 WeakPolarHBondContact O-CB 3.39Å; K32-A35 PolarHBondContact O-N 2.6Å; K32-A35 VanDerWaalsContact O-N 3.1Å
33	P	94.7	Very high	96.6	Very high	118 Å²	118	68.6 Å²	68.6	77%	0.766	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	141.8	169.1	-25.5	34.7	0	0	0	111.9	A35	P33-A35 PolarHBondContact O-N 3.41Å
34	G	96.5	Very high	96.5	Very high	54 Å²	54	67.9 Å²	67.9	56%	0.557	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	-11.7	-176	0	0	0	0	0	114.9	L105	G34-L105 PolarHBondContact N-O 3.49Å
35	A	97.4	Very high	96.4	Very high	35 Å²	35	64.6 Å²	64.6	29%	0.289	41%	0.411	S	S	.	.			trans	-71.1	175.5	174.9	0	0	0	0	0	111.8	V31 K32 P33 S104 L105	V31-A35 HydrophobicContact CB-CB 4.29Å; K32-A35 WeakPolarHBondContact O-CB 3.39Å; K32-A35 PolarHBondContact O-N 2.6Å; K32-A35 VanDerWaalsContact O-N 3.1Å; P33-A35 PolarHBondContact O-N 3.41Å; A35-S104 PolarHBondContact O-N 2.96Å; A35-L105 WeakPolarHBondContact O-CG 3.45Å; A35-L105 PolarHBondContact O-N 3.07Å
36	S	97.3	Very high	96.3	Very high	63 Å²	63	63.4 Å²	63.4	44%	0.441	41%	0.405	S	S	.	.			trans	-113.5	152.7	169.3	-56.5	0	0	0	0	110.1	L102 S103	S36-L102 CarbonylContact C-O 3.53Å; S36-L102 WeakPolarHBondContact CA-O 3.35Å; S36-L102 WeakPolarHBondContact CB-O 3.14Å; S36-S103 WeakPolarHBondContact OG-CA 3.35Å
37	V	97.7	Very high	96.2	Very high	15 Å²	15	65.2 Å²	65.2	9%	0.091	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.4	176.1	71.5	0	0	0	0	108.6	E29 V31 L39 Q101 L102 L105	E29-V37 HydrophobicContact CB-CG2 3.78Å; E29-V37 HydrophobicContact CG-CG2 4.26Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.36Å; V31-V37 HydrophobicContact CG1-CG2 4.41Å; V37-L39 HydrophobicContact CG2-CD2 4.04Å; V37-Q101 VanDerWaalsContact O-CA 3.29Å; V37-Q101 WeakPolarHBondContact O-CA 3.01Å; V37-L102 HydrophobicContact CG1-CB 3.99Å; V37-L102 HydrophobicContact CG1-CD1 4.36Å; V37-L102 PolarHBondContact N-O 2.85Å; V37-L102 PolarHBondContact O-N 2.96Å; V37-L105 HydrophobicContact CB-CD1 3.85Å; V37-L105 HydrophobicContact CG1-CD1 3.78Å; V37-L105 HydrophobicContact CG1-CD2 4.33Å
38	K	97.9	Very high	96.4	Very high	105 Å²	105	62.3 Å²	62.3	46%	0.457	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	104.7	176	-177.5	179.4	177.7	179.7	0	109.8	Y99	K38-Y99 HydrophobicContact CD-CD1 4.44Å; K38-Y99 HydrophobicContact CG-CD1 4.43Å
39	L	98.4	Very high	96.5	Very high	17 Å²	17	60.4 Å²	60.4	9%	0.089	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	147.5	176.7	-51.8	179	0	0	0	110.2	S26 V37 W55 Y99 L100 Y113	S26-L39 WeakPolarHBondContact OG-CA 3.48Å; V37-L39 HydrophobicContact CG2-CD2 4.04Å; L39-W55 HydrophobicContact CB-CH2 4.03Å; L39-W55 HydrophobicContact CB-CZ3 4.14Å; L39-W55 HydrophobicContact CD1-CZ3 4.46Å; L39-Y99 WeakPolarHBondContact O-CA 3.11Å; L39-L100 HydrophobicContact CD1-CD2 4.36Å; L39-L100 PolarHBondContact N-O 3.44Å; L39-L100 PolarHBondContact O-N 2.99Å; L39-Y113 HydrophobicContact CD1-CD1 4.47Å; L39-Y113 HydrophobicContact CD1-CD2 4.06Å; L39-Y113 HydrophobicContact CD1-CG 3.76Å
40	S	98.4	Very high	96.7	Very high	33 Å²	33	60.9 Å²	60.9	23%	0.231	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	152.4	174.7	67.6	0	0	0	0	111.6	Q25 S26 A98	Q25-S40 CarbonylContact C-O 3.58Å; Q25-S40 VanDerWaalsContact CA-O 3.27Å; Q25-S40 WeakPolarHBondContact CA-O 3.39Å; S26-S40 WeakPolarHBondContact CB-OG 3.11Å; S26-S40 PolarHBondContact N-O 3.33Å; S26-S40 PolarHBondContact OG-N 2.97Å; S26-S40 VanDerWaalsContact OG-N 3.07Å; S40-A98 CarbonylContact C-O 3.57Å; S40-A98 WeakPolarHBondContact CA-O 3.24Å
41	C	98.4	Very high	96.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	103.9	175.8	176.4	0	0	0	0	109.5	Q24 Q25 W55 T97 A98 C115	Q24-C41 CarbonylContact O-C 3.53Å; Q24-C41 WeakPolarHBondContact O-CA 3.45Å; Q25-C41 HydrophobicContact CG-CB 4.35Å; C41-W55 HydrophobicContact CB-CH2 3.73Å; C41-W55 HydrophobicContact CB-CZ2 3.78Å; C41-T97 CarbonylContact O-C 3.52Å; C41-T97 WeakPolarHBondContact O-CA 3.21Å; C41-A98 PolarHBondContact N-O 2.94Å; C41-A98 PolarHBondContact O-N 3.43Å; C41-C115 HydrophobicContact CB-CB 3.43Å; C41-C115 VanDerWaalsContact CB-CB 3.43Å; C41-C115 WeakPolarHBondContact CB-SG 3.41Å; C41-C115 WeakPolarHBondContact SG-CB 3.39Å; C41-C115 CovalentContact SG-SG 2.01Å; C41-C115 PolarHBondContact SG-SG 2.97Å
42	T	98.2	Very high	97	Very high	54 Å²	54	58.4 Å²	58.4	33%	0.331	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	124.2	-177.7	-57.8	0	0	0	0	109.9	L23 Q24 T97	L23-T42 WeakPolarHBondContact CA-O 3.47Å; Q24-T42 PolarHBondContact N-O 3.06Å; Q24-T42 PolarHBondContact O-N 3.31Å; T42-T97 PolarHBondContact OG1-OG1 3.31Å
43	A	97.7	Very high	97.2	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.033	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	144.4	175.3	0	0	0	0	0	111.1	L23 F46 I48 N96	L23-A43 HydrophobicContact CD2-CB 3.89Å; A43-F46 HydrophobicContact CB-CD1 4.33Å; A43-F46 HydrophobicContact CB-CE1 3.6Å; A43-F46 HydrophobicContact CB-CE2 3.8Å; A43-F46 HydrophobicContact CB-CZ 3.28Å; A43-I48 HydrophobicContact CB-CB 4.26Å; A43-I48 HydrophobicContact CB-CD1 4.29Å; A43-I48 HydrophobicContact CB-CG1 4.31Å; A43-N96 VanDerWaalsContact C-ND2 3.31Å; A43-N96 WeakPolarHBondContact CB-ND2 3.35Å; A43-N96 PolarHBondContact N-O 2.9Å; A43-N96 PolarHBondContact O-ND2 2.87Å
44	S	95.9	Very high	97.3	Very high	40 Å²	40	47.3 Å²	47.3	28%	0.28	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	156.6	162.8	71	0	0	0	0	111.4	V21 Q22 F46	V21-S44 WeakPolarHBondContact CA-O 3.4Å; Q22-S44 WeakPolarHBondContact CG-OG 3.48Å; Q22-S44 PolarHBondContact N-O 2.89Å; Q22-S44 PolarHBondContact NE2-OG 3.46Å; Q22-S44 PolarHBondContact O-N 2.69Å; S44-F46 WeakPolarHBondContact O-CD1 3.4Å
45	G	94.9	Very high	97.5	Very high	54 Å²	54	44.7 Å²	44.7	56%	0.557	25%	0.246	S	C	*	.	S	Bend	trans	82.2	-1.8	-172.6	0	0	0	0	0	114.1
46	F	94.9	Very high	97.5	Very high	28 Å²	28	44.1 Å²	44.1	12%	0.123	24%	0.239	C	C	.	.	S	Bend	trans	-157.5	163	172.9	68.6	-79	0	0	0	110.6	V21 L23 A43 S44 Y51 N96 R117	V21-F46 HydrophobicContact CG1-CD1 3.67Å; V21-F46 HydrophobicContact CG1-CE1 3.87Å; L23-F46 HydrophobicContact CD2-CE1 4.07Å; L23-F46 HydrophobicContact CD2-CZ 3.71Å; A43-F46 HydrophobicContact CB-CD1 4.33Å; A43-F46 HydrophobicContact CB-CE1 3.6Å; A43-F46 HydrophobicContact CB-CE2 3.8Å; A43-F46 HydrophobicContact CB-CZ 3.28Å; S44-F46 WeakPolarHBondContact O-CD1 3.4Å; F46-Y51 HydrophobicContact CB-CE2 4.15Å; F46-Y51 AromaticContact CD2-CD2 3.49Å; F46-Y51 HydrophobicContact CD2-CD2 3.49Å; F46-Y51 VanDerWaalsContact CD2-CD2 3.49Å; F46-Y51 AromaticContact CD2-CE2 3.66Å; F46-Y51 HydrophobicContact CD2-CE2 3.66Å; F46-Y51 HydrophobicContact CD2-CG 4.49Å; F46-Y51 AromaticContact CE2-CD2 3.92Å; F46-Y51 HydrophobicContact CE2-CD2 3.92Å; F46-Y51 HydrophobicContact CE2-CE2 4.47Å; F46-Y51 HydrophobicContact CG-CD2 4.47Å; F46-Y51 HydrophobicContact CG-CE2 4.23Å; F46-N96 PolarHBondContact O-ND2 2.89Å; F46-R117 HydrophobicContact CE2-CG 4.18Å; F46-R117 HydrophobicContact CZ-CB 4.45Å; F46-R117 HydrophobicContact CZ-CG 4.35Å
47	N	96.3	Very high	97.5	Very high	70 Å²	70	41.6 Å²	41.6	37%	0.374	22%	0.22	S	C	.	.			trans	-87.8	122.7	172.2	-175.3	-4	0	0	0	109.6	K49 D50	N47-K49 PolarHBondContact O-N 3.29Å; N47-K49 VanDerWaalsContact OD1-CB 3.28Å; N47-K49 WeakPolarHBondContact OD1-CB 3.39Å; N47-K49 PolarHBondContact OD1-N 2.73Å; N47-D50 WeakPolarHBondContact CB-OD2 3.29Å; N47-D50 PolarHBondContact O-N 3.38Å; N47-D50 VanDerWaalsContact O-N 3.09Å
48	I	97.5	Very high	97.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-61	-26.1	-179.1	-153.9	171.2	0	0	0	111.4	A43 D50 Y51 M53 P72 T93 N96 A98	A43-I48 HydrophobicContact CB-CB 4.26Å; A43-I48 HydrophobicContact CB-CD1 4.29Å; A43-I48 HydrophobicContact CB-CG1 4.31Å; I48-D50 PolarHBondContact O-N 2.99Å; I48-Y51 PolarHBondContact O-N 2.8Å; I48-Y51 VanDerWaalsContact O-O 3.08Å; I48-M53 HydrophobicContact CD1-CE 4.47Å; I48-M53 HydrophobicContact CD1-CG 3.75Å; I48-M53 HydrophobicContact CD1-SD 4.09Å; I48-M53 HydrophobicContact CG1-CG 3.48Å; I48-M53 VanDerWaalsContact CG1-CG 3.48Å; I48-M53 HydrophobicContact CG1-SD 3.65Å; I48-P72 HydrophobicContact CG1-CG 4.19Å; I48-P72 HydrophobicContact CG2-CB 4.21Å; I48-P72 VanDerWaalsContact O-CG 3.29Å; I48-P72 WeakPolarHBondContact O-CG 3.37Å; I48-T93 HydrophobicContact CG2-CG2 4.37Å; I48-N96 WeakPolarHBondContact CB-OD1 2.97Å; I48-N96 VanDerWaalsContact CG2-OD1 3.3Å; I48-N96 WeakPolarHBondContact CG2-OD1 3.3Å; I48-N96 PolarHBondContact N-OD1 3.03Å; I48-A98 HydrophobicContact CD1-CB 3.85Å
49	K	97.4	Very high	97.2	Very high	73 Å²	73	43.2 Å²	43.2	32%	0.317	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-56.9	-30.5	175.5	-161.3	-171.7	170.7	-147.6	0	112.9	N47 Y51 E73 T93	N47-K49 PolarHBondContact O-N 3.29Å; N47-K49 VanDerWaalsContact OD1-CB 3.28Å; N47-K49 WeakPolarHBondContact OD1-CB 3.39Å; N47-K49 PolarHBondContact OD1-N 2.73Å; K49-Y51 VanDerWaalsContact C-N 3.28Å; K49-Y51 PolarHBondContact O-N 2.78Å; K49-E73 HydrophobicContact CD-CB 4.47Å; K49-E73 VanDerWaalsContact CE-CG 3.42Å; K49-E73 WeakPolarHBondContact CE-OE1 3.46Å; K49-E73 HydrophobicContact CG-CB 3.83Å; K49-E73 HydrophobicContact CG-CG 4.47Å; K49-E73 IonicContact NZ-OE1 2.89Å; K49-E73 PolarHBondContact NZ-OE1 3.39Å; K49-T93 HydrophobicContact CB-CG2 4.07Å; K49-T93 HydrophobicContact CG-CG2 4.13Å
50	D	96.9	Very high	96.4	Very high	106 Å²	106	49.2 Å²	49.2	57%	0.567	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-86	2	-172.3	-53.8	-28.9	0	0	0	113.1	N47 I48	N47-D50 WeakPolarHBondContact CB-OD2 3.29Å; N47-D50 PolarHBondContact O-N 3.38Å; N47-D50 VanDerWaalsContact O-N 3.09Å; I48-D50 PolarHBondContact O-N 2.99Å
51	Y	97.3	Very high	95.8	Very high	97 Å²	97	56 Å²	56	38%	0.38	29%	0.291	S	S	.	.	S	Bend	trans	-145.1	144.6	-173.5	-59.7	-90.8	0	0	0	113.5	F46 I48 K49 M53 P72 R117	F46-Y51 HydrophobicContact CB-CE2 4.15Å; F46-Y51 AromaticContact CD2-CD2 3.49Å; F46-Y51 HydrophobicContact CD2-CD2 3.49Å; F46-Y51 VanDerWaalsContact CD2-CD2 3.49Å; F46-Y51 AromaticContact CD2-CE2 3.66Å; F46-Y51 HydrophobicContact CD2-CE2 3.66Å; F46-Y51 HydrophobicContact CD2-CG 4.49Å; F46-Y51 AromaticContact CE2-CD2 3.92Å; F46-Y51 HydrophobicContact CE2-CD2 3.92Å; F46-Y51 HydrophobicContact CE2-CE2 4.47Å; F46-Y51 HydrophobicContact CG-CD2 4.47Å; F46-Y51 HydrophobicContact CG-CE2 4.23Å; I48-Y51 PolarHBondContact O-N 2.8Å; I48-Y51 VanDerWaalsContact O-O 3.08Å; K49-Y51 VanDerWaalsContact C-N 3.28Å; K49-Y51 PolarHBondContact O-N 2.78Å; Y51-M53 PolarHBondContact O-N 3.03Å; Y51-P72 WeakPolarHBondContact O-CD 3.36Å; Y51-R117 VanDerWaalsContact CB-CG 3.46Å; Y51-R117 HydrophobicContact CD1-CG 3.73Å; Y51-R117 HydrophobicContact CD2-CG 4.29Å; Y51-R117 VanDerWaalsContact CG-CD 3.4Å; Y51-R117 HydrophobicContact CG-CG 3.58Å
52	Y	98.3	Very high	95.2	Very high	90 Å²	90	62.1 Å²	62.1	35%	0.353	32%	0.319	S	S	.	.			trans	-64.7	132.3	167.3	-67.5	-71.8	0	0	0	110.7	R69 I70 D71	Y52-R69 VanDerWaalsContact CE2-NH1 3.32Å; Y52-R69 VanDerWaalsContact CG-NH1 3.27Å; Y52-I70 WeakPolarHBondContact CA-O 3.44Å; Y52-D71 HydrophobicContact CD1-CB 3.83Å; Y52-D71 HydrophobicContact CE1-CB 3.46Å; Y52-D71 VanDerWaalsContact CE1-CB 3.46Å; Y52-D71 VanDerWaalsContact CE1-CG 3.46Å; Y52-D71 WeakPolarHBondContact CE1-OD2 3.5Å; Y52-D71 PolarHBondContact OH-OD2 2.84Å
53	M	98.4	Very high	95	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	114.2	175.2	-64.9	-55.4	-52.6	0	0	109.8	L23 I48 Y51 R69 I70 P72 A98 R117	L23-M53 HydrophobicContact CD1-CE 4.08Å; L23-M53 HydrophobicContact CD2-CE 3.9Å; I48-M53 HydrophobicContact CD1-CE 4.47Å; I48-M53 HydrophobicContact CD1-CG 3.75Å; I48-M53 HydrophobicContact CD1-SD 4.09Å; I48-M53 HydrophobicContact CG1-CG 3.48Å; I48-M53 VanDerWaalsContact CG1-CG 3.48Å; I48-M53 HydrophobicContact CG1-SD 3.65Å; Y51-M53 PolarHBondContact O-N 3.03Å; M53-R69 CarbonylContact O-C 3.4Å; M53-R69 WeakPolarHBondContact O-CA 3.17Å; M53-I70 HydrophobicContact CB-CG2 3.88Å; M53-I70 PolarHBondContact N-O 3.49Å; M53-I70 PolarHBondContact O-N 2.81Å; M53-P72 HydrophobicContact CG-CG 3.9Å; M53-A98 HydrophobicContact CB-CB 4.06Å; M53-A98 HydrophobicContact CG-CB 4.19Å; M53-R117 HydrophobicContact SD-CB 4.24Å; M53-R117 HydrophobicContact SD-CG 4.4Å
54	H	98.7	Very high	94.9	Very high	55 Å²	55	67 Å²	67	26%	0.255	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	145.7	-179.7	-69.6	-109.3	0	0	0	110.8	W66 G68 C115 A116	H54-W66 AromaticContact CG-NE1 3.95Å; H54-W66 AromaticContact ND1-CD1 3.92Å; H54-W66 AromaticContact ND1-CE2 3.95Å; H54-W66 AromaticContact ND1-NE1 3.12Å; H54-W66 PolarHBondContact ND1-NE1 2.83Å; H54-W66 VanDerWaalsContact ND1-NE1 3.12Å; H54-G68 WeakPolarHBondContact CA-O 3.48Å; H54-C115 CarbonylContact O-C 3.59Å; H54-C115 VanDerWaalsContact O-CA 3.28Å; H54-C115 WeakPolarHBondContact O-CA 3.36Å; H54-A116 HydrophobicContact CB-CB 4.43Å; H54-A116 PolarHBondContact N-O 3.08Å; H54-A116 PolarHBondContact O-N 3.23Å
55	W	98.7	Very high	94.9	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.6	170.2	-73.8	94.6	0	0	0	110.6	L39 C41 I67 G68 I89 A98 L100 Y114 C115	L39-W55 HydrophobicContact CB-CH2 4.03Å; L39-W55 HydrophobicContact CB-CZ3 4.14Å; L39-W55 HydrophobicContact CD1-CZ3 4.46Å; C41-W55 HydrophobicContact CB-CH2 3.73Å; C41-W55 HydrophobicContact CB-CZ2 3.78Å; W55-I67 HydrophobicContact CB-CB 4.2Å; W55-I67 HydrophobicContact CB-CD1 4.34Å; W55-I67 WeakPolarHBondContact O-CB 3.45Å; W55-I67 PolarHBondContact O-N 3.31Å; W55-G68 PolarHBondContact N-O 2.85Å; W55-I89 HydrophobicContact CB-CD1 4.48Å; W55-A98 HydrophobicContact CZ2-CB 4.5Å; W55-L100 HydrophobicContact CB-CD2 4.11Å; W55-L100 HydrophobicContact CD2-CB 3.47Å; W55-L100 VanDerWaalsContact CD2-CB 3.47Å; W55-L100 HydrophobicContact CD2-CD2 3.9Å; W55-L100 HydrophobicContact CD2-CG 4.24Å; W55-L100 VanDerWaalsContact CE2-CB 3.49Å; W55-L100 HydrophobicContact CE3-CB 3.76Å; W55-L100 HydrophobicContact CE3-CD2 3.69Å; W55-L100 HydrophobicContact CE3-CG 4.37Å; W55-L100 HydrophobicContact CG-CB 3.93Å; W55-L100 HydrophobicContact CG-CD2 4.1Å; W55-L100 HydrophobicContact CG-CG 4.41Å; W55-L100 HydrophobicContact CH2-CB 4.05Å; W55-L100 HydrophobicContact CZ2-CB 3.8Å; W55-L100 HydrophobicContact CZ3-CB 4.04Å; W55-L100 HydrophobicContact CZ3-CD2 4.36Å; W55-Y114 CarbonylContact C-O 3.51Å; W55-Y114 WeakPolarHBondContact CA-O 3.48Å; W55-C115 HydrophobicContact CD2-CB 4.17Å; W55-C115 HydrophobicContact CE3-CB 4.03Å; W55-C115 HydrophobicContact CH2-CB 4.01Å; W55-C115 HydrophobicContact CZ2-CB 4.12Å; W55-C115 HydrophobicContact CZ3-CB 3.95Å
56	V	98.3	Very high	95.1	Very high	23 Å²	23	68.8 Å²	68.8	14%	0.139	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	137.8	-173.3	-176.3	0	0	0	0	109.5	L64 Y113 Y114	V56-L64 HydrophobicContact CG1-CB 3.69Å; V56-L64 HydrophobicContact CG1-CD1 4.46Å; V56-L64 HydrophobicContact CG1-CD2 3.92Å; V56-L64 HydrophobicContact CG1-CG 4.22Å; V56-Y113 CarbonylContact O-C 3.58Å; V56-Y113 WeakPolarHBondContact O-CA 3.28Å; V56-Y114 PolarHBondContact N-O 3.18Å; V56-Y114 PolarHBondContact O-N 3.38Å
57	K	97.3	Very high	95.2	Very high	9 Å²	9	67.5 Å²	67.5	4%	0.039	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	127.2	172.2	-177.2	179.2	-177.9	177.5	0	109.7	E65 I67 F83 E108 D109 A111 Y113	K57-E65 HydrophobicContact CB-CB 4.4Å; K57-E65 PolarHBondContact N-O 2.89Å; K57-E65 PolarHBondContact O-N 2.96Å; K57-I67 HydrophobicContact CB-CD1 4.08Å; K57-I67 HydrophobicContact CB-CG1 4.25Å; K57-F83 HydrophobicContact CD-CE1 4.39Å; K57-F83 HydrophobicContact CD-CZ 4.12Å; K57-E108 WeakPolarHBondContact CE-O 3.15Å; K57-E108 PolarHBondContact NZ-O 3.12Å; K57-D109 IonicContact NZ-OD1 2.72Å; K57-A111 HydrophobicContact CD-CB 4.22Å; K57-A111 HydrophobicContact CG-CB 3.67Å; K57-Y113 HydrophobicContact CB-CD1 4.19Å; K57-Y113 HydrophobicContact CB-CE1 3.94Å; K57-Y113 HydrophobicContact CD-CE1 4.06Å; K57-Y113 HydrophobicContact CG-CD1 4.38Å; K57-Y113 HydrophobicContact CG-CE1 3.84Å
58	Q	96.4	Very high	95.4	Very high	77 Å²	77	64.1 Å²	64.1	36%	0.36	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122	170.4	-170.6	-178.7	25.8	0	0	110.3	L64 A111 V112 Y114	Q58-L64 HydrophobicContact CB-CD2 4.13Å; Q58-L64 HydrophobicContact CG-CD2 4.19Å; Q58-A111 WeakPolarHBondContact O-CB 3.21Å; Q58-V112 HydrophobicContact CB-CB 4.21Å; Q58-V112 WeakPolarHBondContact CB-O 3.33Å; Q58-V112 PolarHBondContact N-O 3.06Å; Q58-Y114 HydrophobicContact CB-CD2 4.23Å; Q58-Y114 HydrophobicContact CB-CE2 3.82Å; Q58-Y114 HydrophobicContact CG-CE2 4.34Å; Q58-Y114 PolarHBondContact OE1-OH 3.3Å
59	R	92.2	Very high	95.4	Very high	77 Å²	77	66 Å²	66	29%	0.291	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.7	176.1	-56.9	-175.6	67.5	-170.8	-3.8	108.2	E61 Q62 G63 E65	R59-E61 PolarHBondContact O-N 2.83Å; R59-Q62 HydrophobicContact CB-CB 3.86Å; R59-Q62 PolarHBondContact O-N 2.83Å; R59-G63 WeakPolarHBondContact CB-O 3.32Å; R59-G63 PolarHBondContact N-O 2.99Å; R59-G63 PolarHBondContact O-N 2.99Å; R59-E65 HydrophobicContact CG-CB 4.25Å; R59-E65 IonicContact NH1-OE1 2.96Å
60	T	83.3	Confident	95.5	Very high	143 Å²	143	62.9 Å²	62.9	88%	0.877	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-24.8	-175.1	44.2	0	0	0	0	114.2
61	E	85.7	Confident	95.6	Very high	177 Å²	177	58.5 Å²	58.5	83%	0.827	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.8	-12	179.7	-62	-178.6	173.2	0	0	114.6	R59	R59-E61 PolarHBondContact O-N 2.83Å
62	Q	85.5	Confident	95.6	Very high	127 Å²	127	54.4 Å²	54.4	59%	0.593	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	7.4	-169.2	-56.5	-165.6	12.7	0	0	113.4	R59	R59-Q62 HydrophobicContact CB-CB 3.86Å; R59-Q62 PolarHBondContact O-N 2.83Å
63	G	92.8	Very high	95.6	Very high	40 Å²	40	55.7 Å²	55.7	41%	0.412	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	79.9	-143.5	179.1	0	0	0	0	0	113.1	R59	R59-G63 WeakPolarHBondContact CB-O 3.32Å; R59-G63 PolarHBondContact N-O 2.99Å; R59-G63 PolarHBondContact O-N 2.99Å
64	L	96.4	Very high	95.5	Very high	122 Å²	122	60.3 Å²	60.3	64%	0.639	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.4	-175.4	-65	179.3	0	0	0	110.9	V56 Q58	V56-L64 HydrophobicContact CG1-CB 3.69Å; V56-L64 HydrophobicContact CG1-CD1 4.46Å; V56-L64 HydrophobicContact CG1-CD2 3.92Å; V56-L64 HydrophobicContact CG1-CG 4.22Å; Q58-L64 HydrophobicContact CB-CD2 4.13Å; Q58-L64 HydrophobicContact CG-CD2 4.19Å
65	E	96.8	Very high	95.5	Very high	37 Å²	37	59.8 Å²	59.8	17%	0.173	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	112.9	176.9	-174.8	175.9	-135	0	0	109.2	K57 R59 I67 K82 F83	K57-E65 HydrophobicContact CB-CB 4.4Å; K57-E65 PolarHBondContact N-O 2.89Å; K57-E65 PolarHBondContact O-N 2.96Å; R59-E65 HydrophobicContact CG-CB 4.25Å; R59-E65 IonicContact NH1-OE1 2.96Å; E65-I67 PolarHBondContact O-N 2.73Å; E65-K82 WeakPolarHBondContact OE1-CD 2.88Å; E65-K82 IonicContact OE1-NZ 3.94Å; E65-K82 PolarHBondContact OE1-NZ 2.89Å; E65-K82 IonicContact OE2-NZ 3.7Å; E65-K82 PolarHBondContact OE2-NZ 3.16Å; E65-F83 HydrophobicContact CG-CE2 3.84Å; E65-F83 HydrophobicContact CG-CZ 4.2Å; E65-F83 WeakPolarHBondContact OE2-CZ 3.37Å
66	W	97.8	Very high	95.4	Very high	94 Å²	94	64.9 Å²	64.9	36%	0.356	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	130.6	179.5	-178	70.7	0	0	0	111	H54 G68 R69 K78 A80	H54-W66 AromaticContact CG-NE1 3.95Å; H54-W66 AromaticContact ND1-CD1 3.92Å; H54-W66 AromaticContact ND1-CE2 3.95Å; H54-W66 AromaticContact ND1-NE1 3.12Å; H54-W66 PolarHBondContact ND1-NE1 2.83Å; H54-W66 VanDerWaalsContact ND1-NE1 3.12Å; W66-G68 VanDerWaalsContact CE2-C 3.44Å; W66-G68 VanDerWaalsContact CE2-CA 3.49Å; W66-G68 PolarHBondContact NE1-O 2.83Å; W66-R69 HydrophobicContact CZ2-CB 4.01Å; W66-R69 HydrophobicContact CZ2-CG 4.03Å; W66-K78 HydrophobicContact CH2-CB 4.15Å; W66-A80 HydrophobicContact CE3-CB 3.89Å; W66-A80 HydrophobicContact CZ3-CB 4.17Å; W66-A80 WeakPolarHBondContact O-CB 3.28Å
67	I	98.4	Very high	95.5	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-49.5	-178.1	-61.7	174	0	0	0	109.9	W55 K57 E65 Y79 A80 F83 A87 L100 Y113	W55-I67 HydrophobicContact CB-CB 4.2Å; W55-I67 HydrophobicContact CB-CD1 4.34Å; W55-I67 WeakPolarHBondContact O-CB 3.45Å; W55-I67 PolarHBondContact O-N 3.31Å; K57-I67 HydrophobicContact CB-CD1 4.08Å; K57-I67 HydrophobicContact CB-CG1 4.25Å; E65-I67 PolarHBondContact O-N 2.73Å; I67-Y79 WeakPolarHBondContact O-CA 3.21Å; I67-A80 PolarHBondContact O-N 2.01Å; I67-F83 HydrophobicContact CB-CD1 4.46Å; I67-F83 HydrophobicContact CB-CD2 4.32Å; I67-F83 HydrophobicContact CB-CG 4.26Å; I67-F83 HydrophobicContact CD1-CE1 4.39Å; I67-F83 HydrophobicContact CG1-CD1 4.14Å; I67-F83 HydrophobicContact CG1-CD2 4.28Å; I67-F83 HydrophobicContact CG1-CE1 3.92Å; I67-F83 HydrophobicContact CG1-CE2 4.06Å; I67-F83 HydrophobicContact CG1-CG 4.3Å; I67-F83 HydrophobicContact CG1-CZ 3.88Å; I67-F83 HydrophobicContact CG2-CB 3.9Å; I67-F83 HydrophobicContact CG2-CD1 3.92Å; I67-F83 HydrophobicContact CG2-CD2 4.34Å; I67-F83 HydrophobicContact CG2-CG 3.79Å; I67-A87 HydrophobicContact CG2-CB 3.75Å; I67-L100 HydrophobicContact CD1-CD2 3.7Å; I67-L100 HydrophobicContact CG2-CD1 4.09Å; I67-Y113 HydrophobicContact CD1-CD1 3.57Å; I67-Y113 HydrophobicContact CD1-CE1 3.7Å
68	G	98.7	Very high	95.5	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.7	-179.8	-173.2	0	0	0	0	0	112.3	H54 W55 W66 K78 I89	H54-G68 WeakPolarHBondContact CA-O 3.48Å; W55-G68 PolarHBondContact N-O 2.85Å; W66-G68 VanDerWaalsContact CE2-C 3.44Å; W66-G68 VanDerWaalsContact CE2-CA 3.49Å; W66-G68 PolarHBondContact NE1-O 2.83Å; G68-K78 CarbonylContact C-O 3.56Å; G68-K78 WeakPolarHBondContact CA-O 2.99Å; G68-I89 VanDerWaalsContact C-CD1 3.48Å
69	R	98.6	Very high	95.6	Very high	39 Å²	39	70.5 Å²	70.5	15%	0.147	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	158.5	172	71.5	177.1	-167.4	141.4	14.3	110.6	Y52 M53 W66 T77 K78	Y52-R69 VanDerWaalsContact CE2-NH1 3.32Å; Y52-R69 VanDerWaalsContact CG-NH1 3.27Å; M53-R69 CarbonylContact O-C 3.4Å; M53-R69 WeakPolarHBondContact O-CA 3.17Å; W66-R69 HydrophobicContact CZ2-CB 4.01Å; W66-R69 HydrophobicContact CZ2-CG 4.03Å; R69-T77 WeakPolarHBondContact O-CA 3.39Å; R69-K78 HydrophobicContact CG-CB 4.21Å; R69-K78 PolarHBondContact N-O 3.4Å; R69-K78 PolarHBondContact O-N 2.8Å
70	I	98.8	Very high	95.9	Very high	7 Å²	7	67.6 Å²	67.6	4%	0.036	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.6	164.6	-175.6	162.3	0	0	0	109.7	Y52 M53 P72 E76 T77 I89 A91	Y52-I70 WeakPolarHBondContact CA-O 3.44Å; M53-I70 HydrophobicContact CB-CG2 3.88Å; M53-I70 PolarHBondContact N-O 3.49Å; M53-I70 PolarHBondContact O-N 2.81Å; I70-P72 HydrophobicContact CG2-CG 4.4Å; I70-P72 WeakPolarHBondContact O-CD 2.97Å; I70-E76 CarbonylContact C-O 3.52Å; I70-E76 WeakPolarHBondContact CA-O 3.27Å; I70-T77 HydrophobicContact CB-CG2 3.96Å; I70-T77 HydrophobicContact CD1-CG2 3.98Å; I70-T77 HydrophobicContact CG1-CG2 3.85Å; I70-I89 HydrophobicContact CB-CG2 3.63Å; I70-I89 HydrophobicContact CG2-CG2 3.48Å; I70-I89 VanDerWaalsContact CG2-CG2 3.48Å; I70-A91 HydrophobicContact CD1-CB 4.02Å; I70-A91 HydrophobicContact CG2-CB 4.32Å
71	D	98.4	Very high	96.6	Very high	15 Å²	15	66.1 Å²	66.1	8%	0.08	35%	0.346	C	S	.	.			trans	-87.6	109.5	157.8	-161.1	-34.5	0	0	0	108.9	Y52 E73 D74 G75 E76	Y52-D71 HydrophobicContact CD1-CB 3.83Å; Y52-D71 HydrophobicContact CE1-CB 3.46Å; Y52-D71 VanDerWaalsContact CE1-CB 3.46Å; Y52-D71 VanDerWaalsContact CE1-CG 3.46Å; Y52-D71 WeakPolarHBondContact CE1-OD2 3.5Å; Y52-D71 PolarHBondContact OH-OD2 2.84Å; D71-E73 PolarHBondContact O-N 2.82Å; D71-E73 WeakPolarHBondContact OD1-CB 3.46Å; D71-E73 PolarHBondContact OD1-N 3.08Å; D71-D74 WeakPolarHBondContact CB-OD1 3.41Å; D71-G75 WeakPolarHBondContact O-CA 3.48Å; D71-G75 PolarHBondContact O-N 3.09Å; D71-E76 HydrophobicContact CB-CB 4.19Å; D71-E76 PolarHBondContact N-O 2.88Å
72	P	98.4	Very high	97.1	Very high	11 Å²	11	62.9 Å²	62.9	7%	0.071	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-12.5	-179.8	-19.4	36	0	0	0	113.2	I48 Y51 M53 I70 A91 T93	I48-P72 HydrophobicContact CG1-CG 4.19Å; I48-P72 HydrophobicContact CG2-CB 4.21Å; I48-P72 VanDerWaalsContact O-CG 3.29Å; I48-P72 WeakPolarHBondContact O-CG 3.37Å; Y51-P72 WeakPolarHBondContact O-CD 3.36Å; M53-P72 HydrophobicContact CG-CG 3.9Å; I70-P72 HydrophobicContact CG2-CG 4.4Å; I70-P72 WeakPolarHBondContact O-CD 2.97Å; P72-A91 HydrophobicContact CB-CB 3.73Å; P72-A91 HydrophobicContact CG-CB 4.02Å; P72-T93 HydrophobicContact CB-CG2 4.09Å; P72-T93 VanDerWaalsContact O-CG2 3.25Å; P72-T93 WeakPolarHBondContact O-CG2 3.32Å
73	E	97.9	Very high	97.6	Very high	116 Å²	116	57 Å²	57	54%	0.542	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-51	176	170.2	147.3	-124.6	0	0	112.7	K49 D71	K49-E73 HydrophobicContact CD-CB 4.47Å; K49-E73 VanDerWaalsContact CE-CG 3.42Å; K49-E73 WeakPolarHBondContact CE-OE1 3.46Å; K49-E73 HydrophobicContact CG-CB 3.83Å; K49-E73 HydrophobicContact CG-CG 4.47Å; K49-E73 IonicContact NZ-OE1 2.89Å; K49-E73 PolarHBondContact NZ-OE1 3.39Å; D71-E73 PolarHBondContact O-N 2.82Å; D71-E73 WeakPolarHBondContact OD1-CB 3.46Å; D71-E73 PolarHBondContact OD1-N 3.08Å
74	D	96.9	Very high	97.8	Very high	98 Å²	98	61.1 Å²	61.1	52%	0.524	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-9.4	-174.6	64	14.7	0	0	0	113.7	D71 E76	D71-D74 WeakPolarHBondContact CB-OD1 3.41Å; D74-E76 WeakPolarHBondContact OD1-CB 3.4Å; D74-E76 WeakPolarHBondContact OD1-CG 3.37Å; D74-E76 PolarHBondContact OD1-N 2.61Å
75	G	97.7	Very high	97.8	Very high	43 Å²	43	59 Å²	59	44%	0.443	32%	0.317	S	S	.	.			trans	84.1	8.4	-179.9	0	0	0	0	0	114.4	D71 T77	D71-G75 WeakPolarHBondContact O-CA 3.48Å; D71-G75 PolarHBondContact O-N 3.09Å; G75-T77 PolarHBondContact O-N 2.92Å
76	E	98.1	Very high	97.8	Very high	108 Å²	108	59.4 Å²	59.4	51%	0.505	32%	0.319	S	S	.	.			trans	-63	133.6	178.4	-77.8	-160.8	160	0	0	111.7	I70 D71 D74	I70-E76 CarbonylContact C-O 3.52Å; I70-E76 WeakPolarHBondContact CA-O 3.27Å; D71-E76 HydrophobicContact CB-CB 4.19Å; D71-E76 PolarHBondContact N-O 2.88Å; D74-E76 WeakPolarHBondContact OD1-CB 3.4Å; D74-E76 WeakPolarHBondContact OD1-CG 3.37Å; D74-E76 PolarHBondContact OD1-N 2.61Å
77	T	98.6	Very high	97.8	Very high	57 Å²	57	55.1 Å²	55.1	35%	0.35	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.5	178.6	53.1	0	0	0	0	112	R69 I70 G75 Y79	R69-T77 WeakPolarHBondContact O-CA 3.39Å; I70-T77 HydrophobicContact CB-CG2 3.96Å; I70-T77 HydrophobicContact CD1-CG2 3.98Å; I70-T77 HydrophobicContact CG1-CG2 3.85Å; G75-T77 PolarHBondContact O-N 2.92Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.18Å
78	K	98.4	Very high	97.8	Very high	116 Å²	116	58.4 Å²	58.4	50%	0.504	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	140.2	169.1	-66.6	-172.1	179.5	175.6	0	109.2	W66 G68 R69	W66-K78 HydrophobicContact CH2-CB 4.15Å; G68-K78 CarbonylContact C-O 3.56Å; G68-K78 WeakPolarHBondContact CA-O 2.99Å; R69-K78 HydrophobicContact CG-CB 4.21Å; R69-K78 PolarHBondContact N-O 3.4Å; R69-K78 PolarHBondContact O-N 2.8Å
79	Y	98.7	Very high	97.8	Very high	54 Å²	54	58.7 Å²	58.7	21%	0.212	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.3	-176.8	-61.4	-87.6	0	0	0	110.8	I67 T77 A87 I89	I67-Y79 WeakPolarHBondContact O-CA 3.21Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.18Å; Y79-A87 HydrophobicContact CD1-CB 4.29Å; Y79-A87 HydrophobicContact CE1-CB 4.24Å; Y79-I89 HydrophobicContact CD1-CD1 4.18Å; Y79-I89 HydrophobicContact CE1-CB 4.32Å; Y79-I89 HydrophobicContact CE1-CD1 3.77Å; Y79-I89 HydrophobicContact CE1-CG1 3.84Å; Y79-I89 PolarHBondContact OH-N 2.97Å
80	A	98.2	Very high	97.8	Very high	16 Å²	16	59.7 Å²	59.7	13%	0.132	34%	0.336	C	S	.	.			trans	-64.2	141.5	162	0	0	0	0	0	109.5	W66 I67 K82 F83 Q84	W66-A80 HydrophobicContact CE3-CB 3.89Å; W66-A80 HydrophobicContact CZ3-CB 4.17Å; W66-A80 WeakPolarHBondContact O-CB 3.28Å; I67-A80 PolarHBondContact O-N 2.01Å; A80-K82 PolarHBondContact O-N 3.05Å; A80-F83 HydrophobicContact CB-CD2 4.08Å; A80-F83 PolarHBondContact O-N 3.02Å; A80-Q84 PolarHBondContact O-N 3.39Å
81	P	97.9	Very high	97.8	Very high	112 Å²	112	61 Å²	61	73%	0.727	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-50.8	-38.6	-175.6	-30.7	35.8	0	0	0	114.3	F83 Q84	P81-F83 VanDerWaalsContact C-N 3.26Å; P81-F83 PolarHBondContact O-N 3.05Å; P81-Q84 PolarHBondContact O-N 3.34Å
82	K	95.1	Very high	97.8	Very high	108 Å²	108	63 Å²	63	47%	0.47	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-62.6	-28.1	179.1	-175.2	-176.4	178.9	-172.6	0	114.3	E65 A80	E65-K82 WeakPolarHBondContact OE1-CD 2.88Å; E65-K82 IonicContact OE1-NZ 3.94Å; E65-K82 PolarHBondContact OE1-NZ 2.89Å; E65-K82 IonicContact OE2-NZ 3.7Å; E65-K82 PolarHBondContact OE2-NZ 3.16Å; A80-K82 PolarHBondContact O-N 3.05Å
83	F	97.4	Very high	97.7	Very high	3 Å²	3	65.5 Å²	65.5	1%	0.013	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-102.4	-2	-176.2	-65	-86.5	0	0	0	112.9	K57 E65 I67 A80 P81 G85 K86 A87	K57-F83 HydrophobicContact CD-CE1 4.39Å; K57-F83 HydrophobicContact CD-CZ 4.12Å; E65-F83 HydrophobicContact CG-CE2 3.84Å; E65-F83 HydrophobicContact CG-CZ 4.2Å; E65-F83 WeakPolarHBondContact OE2-CZ 3.37Å; I67-F83 HydrophobicContact CB-CD1 4.46Å; I67-F83 HydrophobicContact CB-CD2 4.32Å; I67-F83 HydrophobicContact CB-CG 4.26Å; I67-F83 HydrophobicContact CD1-CE1 4.39Å; I67-F83 HydrophobicContact CG1-CD1 4.14Å; I67-F83 HydrophobicContact CG1-CD2 4.28Å; I67-F83 HydrophobicContact CG1-CE1 3.92Å; I67-F83 HydrophobicContact CG1-CE2 4.06Å; I67-F83 HydrophobicContact CG1-CG 4.3Å; I67-F83 HydrophobicContact CG1-CZ 3.88Å; I67-F83 HydrophobicContact CG2-CB 3.9Å; I67-F83 HydrophobicContact CG2-CD1 3.92Å; I67-F83 HydrophobicContact CG2-CD2 4.34Å; I67-F83 HydrophobicContact CG2-CG 3.79Å; A80-F83 HydrophobicContact CB-CD2 4.08Å; A80-F83 PolarHBondContact O-N 3.02Å; P81-F83 VanDerWaalsContact C-N 3.26Å; P81-F83 PolarHBondContact O-N 3.05Å; F83-G85 PolarHBondContact O-N 3.36Å; F83-K86 PolarHBondContact O-N 3.29Å; F83-K86 VanDerWaalsContact O-N 3.16Å; F83-A87 HydrophobicContact CB-CB 3.99Å; F83-A87 PolarHBondContact O-N 3.21Å
84	Q	96.9	Very high	97.7	Very high	128 Å²	128	65 Å²	65	60%	0.598	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	132.3	172.9	-70.2	-175.8	8.9	0	0	110.3	A80 P81 K86	A80-Q84 PolarHBondContact O-N 3.39Å; P81-Q84 PolarHBondContact O-N 3.34Å; Q84-K86 PolarHBondContact O-N 2.82Å
85	G	95.6	Very high	97.8	Very high	76 Å²	76	62.6 Å²	62.6	78%	0.784	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	-23.1	-176.5	0	0	0	0	0	115	F83	F83-G85 PolarHBondContact O-N 3.36Å
86	K	96.9	Very high	97.8	Very high	47 Å²	47	62 Å²	62	20%	0.204	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-43.6	176.3	-176	163.3	-171.5	160.9	0	112.7	F83 Q84 L102 S103 D109	F83-K86 PolarHBondContact O-N 3.29Å; F83-K86 VanDerWaalsContact O-N 3.16Å; Q84-K86 PolarHBondContact O-N 2.82Å; K86-L102 WeakPolarHBondContact O-CA 3.41Å; K86-S103 PolarHBondContact O-N 2.76Å; K86-S103 PolarHBondContact O-OG 2.84Å; K86-D109 VanDerWaalsContact CE-CG 3.48Å; K86-D109 VanDerWaalsContact CE-OD1 3.24Å; K86-D109 WeakPolarHBondContact CE-OD1 3.47Å; K86-D109 WeakPolarHBondContact CE-OD2 3.47Å; K86-D109 IonicContact NZ-OD1 2.6Å; K86-D109 PolarHBondContact NZ-OD1 2.87Å; K86-D109 IonicContact NZ-OD2 2.73Å; K86-D109 PolarHBondContact NZ-OD2 3.34Å
87	A	98.4	Very high	97.8	Very high	4 Å²	4	57.1 Å²	57.1	3%	0.033	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	143.8	-179.9	0	0	0	0	0	111.4	I67 Y79 F83 L100 Q101 L102	I67-A87 HydrophobicContact CG2-CB 3.75Å; Y79-A87 HydrophobicContact CD1-CB 4.29Å; Y79-A87 HydrophobicContact CE1-CB 4.24Å; F83-A87 HydrophobicContact CB-CB 3.99Å; F83-A87 PolarHBondContact O-N 3.21Å; A87-L100 HydrophobicContact CB-CD1 3.93Å; A87-Q101 CarbonylContact C-O 3.55Å; A87-Q101 WeakPolarHBondContact CA-O 3.29Å; A87-L102 HydrophobicContact CB-CD2 3.85Å
88	T	98.6	Very high	97.8	Very high	69 Å²	69	54.4 Å²	54.4	42%	0.423	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	118.8	167.6	-57.4	0	0	0	0	107.8	T90 Q101	T88-T90 HydrophobicContact CG2-CG2 4.19Å; T88-Q101 PolarHBondContact N-O 3.03Å; T88-Q101 PolarHBondContact O-N 2.95Å
89	I	98.7	Very high	97.8	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.9	178.8	-58.4	165.4	0	0	0	107.9	W55 G68 I70 Y79 Y99 L100	W55-I89 HydrophobicContact CB-CD1 4.48Å; G68-I89 VanDerWaalsContact C-CD1 3.48Å; I70-I89 HydrophobicContact CB-CG2 3.63Å; I70-I89 HydrophobicContact CG2-CG2 3.48Å; I70-I89 VanDerWaalsContact CG2-CG2 3.48Å; Y79-I89 HydrophobicContact CD1-CD1 4.18Å; Y79-I89 HydrophobicContact CE1-CB 4.32Å; Y79-I89 HydrophobicContact CE1-CD1 3.77Å; Y79-I89 HydrophobicContact CE1-CG1 3.84Å; Y79-I89 PolarHBondContact OH-N 2.97Å; I89-Y99 WeakPolarHBondContact CA-O 3.49Å; I89-L100 HydrophobicContact CG1-CD1 3.87Å
90	T	98.5	Very high	97.8	Very high	61 Å²	61	48.8 Å²	48.8	37%	0.374	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	161.1	177.6	59.9	0	0	0	0	109.9	T88 A98 Y99	T88-T90 HydrophobicContact CG2-CG2 4.19Å; T90-A98 CarbonylContact O-C 3.53Å; T90-Y99 PolarHBondContact N-O 2.79Å; T90-Y99 PolarHBondContact O-N 3.03Å
91	A	98.5	Very high	97.8	Very high	34 Å²	34	52 Å²	52	28%	0.281	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	146.8	174	0	0	0	0	0	110.4	I70 P72 T97	I70-A91 HydrophobicContact CD1-CB 4.02Å; I70-A91 HydrophobicContact CG2-CB 4.32Å; P72-A91 HydrophobicContact CB-CB 3.73Å; P72-A91 HydrophobicContact CG-CB 4.02Å; A91-T97 WeakPolarHBondContact CA-O 3.38Å
92	D	98.1	Very high	97.8	Very high	56 Å²	56	46.7 Å²	46.7	30%	0.299	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	106.8	170.3	174.1	8.3	0	0	0	108.1	S94 S95 N96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.26Å; D92-S94 PolarHBondContact O-N 2.92Å; D92-S94 WeakPolarHBondContact OD1-CB 3.42Å; D92-S94 PolarHBondContact OD1-N 2.86Å; D92-S94 PolarHBondContact OD1-OG 3.06Å; D92-S94 PolarHBondContact OD2-OG 2.75Å; D92-S95 WeakPolarHBondContact CB-OG 3.38Å; D92-S95 PolarHBondContact OD1-N 2.82Å; D92-S95 WeakPolarHBondContact OD2-CB 3.38Å; D92-S95 PolarHBondContact OD2-OG 2.89Å; D92-N96 PolarHBondContact O-N 2.84Å; D92-T97 PolarHBondContact N-O 3.48Å; D92-T97 PolarHBondContact O-N 2.96Å; D92-Y99 HydrophobicContact CB-CE2 4.09Å
93	T	97.8	Very high	97.9	Very high	64 Å²	64	43.1 Å²	43.1	39%	0.393	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-22.4	-178.1	52.5	0	0	0	0	112.4	I48 K49 P72	I48-T93 HydrophobicContact CG2-CG2 4.37Å; K49-T93 HydrophobicContact CB-CG2 4.07Å; K49-T93 HydrophobicContact CG-CG2 4.13Å; P72-T93 HydrophobicContact CB-CG2 4.09Å; P72-T93 VanDerWaalsContact O-CG2 3.25Å; P72-T93 WeakPolarHBondContact O-CG2 3.32Å
94	S	97.4	Very high	97.9	Very high	106 Å²	106	46.9 Å²	46.9	74%	0.741	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-37.5	178	74.1	0	0	0	0	112.2	D92	D92-S94 VanDerWaalsContact C-N 3.26Å; D92-S94 PolarHBondContact O-N 2.92Å; D92-S94 WeakPolarHBondContact OD1-CB 3.42Å; D92-S94 PolarHBondContact OD1-N 2.86Å; D92-S94 PolarHBondContact OD1-OG 3.06Å; D92-S94 PolarHBondContact OD2-OG 2.75Å
95	S	97.8	Very high	97.9	Very high	48 Å²	48	41.5 Å²	41.5	34%	0.336	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	5.7	175	64.5	0	0	0	0	113.5	D92 T97	D92-S95 WeakPolarHBondContact CB-OG 3.38Å; D92-S95 PolarHBondContact OD1-N 2.82Å; D92-S95 WeakPolarHBondContact OD2-CB 3.38Å; D92-S95 PolarHBondContact OD2-OG 2.89Å; S95-T97 PolarHBondContact O-N 2.86Å; S95-T97 PolarHBondContact O-OG1 2.61Å
96	N	97.6	Very high	97.9	Very high	29 Å²	29	41 Å²	41	16%	0.155	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	38.3	-179.4	-146.7	38.9	0	0	0	113.1	A43 F46 I48 D92	A43-N96 VanDerWaalsContact C-ND2 3.31Å; A43-N96 WeakPolarHBondContact CB-ND2 3.35Å; A43-N96 PolarHBondContact N-O 2.9Å; A43-N96 PolarHBondContact O-ND2 2.87Å; F46-N96 PolarHBondContact O-ND2 2.89Å; I48-N96 WeakPolarHBondContact CB-OD1 2.97Å; I48-N96 VanDerWaalsContact CG2-OD1 3.3Å; I48-N96 WeakPolarHBondContact CG2-OD1 3.3Å; I48-N96 PolarHBondContact N-OD1 3.03Å; D92-N96 PolarHBondContact O-N 2.84Å
97	T	98.5	Very high	97.7	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.043	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.9	-168.3	-61.5	0	0	0	0	112	C41 T42 A91 D92 S95 Y99	C41-T97 CarbonylContact O-C 3.52Å; C41-T97 WeakPolarHBondContact O-CA 3.21Å; T42-T97 PolarHBondContact OG1-OG1 3.31Å; A91-T97 WeakPolarHBondContact CA-O 3.38Å; D92-T97 PolarHBondContact N-O 3.48Å; D92-T97 PolarHBondContact O-N 2.96Å; S95-T97 PolarHBondContact O-N 2.86Å; S95-T97 PolarHBondContact O-OG1 2.61Å; T97-Y99 HydrophobicContact CG2-CD1 4.26Å; T97-Y99 HydrophobicContact CG2-CD2 4.44Å; T97-Y99 HydrophobicContact CG2-CE1 3.66Å; T97-Y99 HydrophobicContact CG2-CE2 3.85Å; T97-Y99 VanDerWaalsContact CG2-CZ 3.41Å
98	A	98.6	Very high	97.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	151.7	168.4	0	0	0	0	0	110.6	S40 C41 I48 M53 W55 T90	S40-A98 CarbonylContact C-O 3.57Å; S40-A98 WeakPolarHBondContact CA-O 3.24Å; C41-A98 PolarHBondContact N-O 2.94Å; C41-A98 PolarHBondContact O-N 3.43Å; I48-A98 HydrophobicContact CD1-CB 3.85Å; M53-A98 HydrophobicContact CB-CB 4.06Å; M53-A98 HydrophobicContact CG-CB 4.19Å; W55-A98 HydrophobicContact CZ2-CB 4.5Å; T90-A98 CarbonylContact O-C 3.53Å
99	Y	98.7	Very high	97.3	Very high	51 Å²	51	47.7 Å²	47.7	20%	0.2	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.7	179.8	-55.3	-86.1	0	0	0	111.2	K38 L39 I89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.44Å; K38-Y99 HydrophobicContact CG-CD1 4.43Å; L39-Y99 WeakPolarHBondContact O-CA 3.11Å; I89-Y99 WeakPolarHBondContact CA-O 3.49Å; T90-Y99 PolarHBondContact N-O 2.79Å; T90-Y99 PolarHBondContact O-N 3.03Å; D92-Y99 HydrophobicContact CB-CE2 4.09Å; T97-Y99 HydrophobicContact CG2-CD1 4.26Å; T97-Y99 HydrophobicContact CG2-CD2 4.44Å; T97-Y99 HydrophobicContact CG2-CE1 3.66Å; T97-Y99 HydrophobicContact CG2-CE2 3.85Å; T97-Y99 VanDerWaalsContact CG2-CZ 3.41Å
100	L	98.7	Very high	97.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	115	168.8	170.2	66.9	0	0	0	108.5	L39 W55 I67 A87 I89 L102 Y113	L39-L100 HydrophobicContact CD1-CD2 4.36Å; L39-L100 PolarHBondContact N-O 3.44Å; L39-L100 PolarHBondContact O-N 2.99Å; W55-L100 HydrophobicContact CB-CD2 4.11Å; W55-L100 HydrophobicContact CD2-CB 3.47Å; W55-L100 VanDerWaalsContact CD2-CB 3.47Å; W55-L100 HydrophobicContact CD2-CD2 3.9Å; W55-L100 HydrophobicContact CD2-CG 4.24Å; W55-L100 VanDerWaalsContact CE2-CB 3.49Å; W55-L100 HydrophobicContact CE3-CB 3.76Å; W55-L100 HydrophobicContact CE3-CD2 3.69Å; W55-L100 HydrophobicContact CE3-CG 4.37Å; W55-L100 HydrophobicContact CG-CB 3.93Å; W55-L100 HydrophobicContact CG-CD2 4.1Å; W55-L100 HydrophobicContact CG-CG 4.41Å; W55-L100 HydrophobicContact CH2-CB 4.05Å; W55-L100 HydrophobicContact CZ2-CB 3.8Å; W55-L100 HydrophobicContact CZ3-CB 4.04Å; W55-L100 HydrophobicContact CZ3-CD2 4.36Å; I67-L100 HydrophobicContact CD1-CD2 3.7Å; I67-L100 HydrophobicContact CG2-CD1 4.09Å; A87-L100 HydrophobicContact CB-CD1 3.93Å; I89-L100 HydrophobicContact CG1-CD1 3.87Å; L100-L102 HydrophobicContact CD1-CD2 4.22Å; L100-L102 HydrophobicContact CD1-CG 4.38Å; L100-L102 HydrophobicContact CD2-CD1 4.3Å; L100-L102 HydrophobicContact CD2-CG 4.34Å; L100-L102 HydrophobicContact CG-CD2 4.49Å; L100-L102 HydrophobicContact CG-CG 4.17Å; L100-Y113 HydrophobicContact CD2-CD1 3.96Å
101	Q	98.5	Very high	97	Very high	84 Å²	84	52 Å²	52	39%	0.393	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.6	169.8	-176	168.8	-11.2	0	0	109.7	V37 A87 T88	V37-Q101 VanDerWaalsContact O-CA 3.29Å; V37-Q101 WeakPolarHBondContact O-CA 3.01Å; A87-Q101 CarbonylContact C-O 3.55Å; A87-Q101 WeakPolarHBondContact CA-O 3.29Å; T88-Q101 PolarHBondContact N-O 3.03Å; T88-Q101 PolarHBondContact O-N 2.95Å
102	L	98.3	Very high	96.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.3	173.1	-64.7	165.3	0	0	0	108.6	S36 V37 K86 A87 L100 L105 Y113	S36-L102 CarbonylContact C-O 3.53Å; S36-L102 WeakPolarHBondContact CA-O 3.35Å; S36-L102 WeakPolarHBondContact CB-O 3.14Å; V37-L102 HydrophobicContact CG1-CB 3.99Å; V37-L102 HydrophobicContact CG1-CD1 4.36Å; V37-L102 PolarHBondContact N-O 2.85Å; V37-L102 PolarHBondContact O-N 2.96Å; K86-L102 WeakPolarHBondContact O-CA 3.41Å; A87-L102 HydrophobicContact CB-CD2 3.85Å; L100-L102 HydrophobicContact CD1-CD2 4.22Å; L100-L102 HydrophobicContact CD1-CG 4.38Å; L100-L102 HydrophobicContact CD2-CD1 4.3Å; L100-L102 HydrophobicContact CD2-CG 4.34Å; L100-L102 HydrophobicContact CG-CD2 4.49Å; L100-L102 HydrophobicContact CG-CG 4.17Å; L102-L105 HydrophobicContact CB-CD2 3.73Å; L102-L105 HydrophobicContact CD1-CD2 4.42Å; L102-Y113 HydrophobicContact CD1-CD1 4.11Å; L102-Y113 HydrophobicContact CD1-CE1 3.43Å; L102-Y113 VanDerWaalsContact CD1-CE1 3.43Å; L102-Y113 HydrophobicContact CD1-CE2 4.2Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.48Å
103	S	97.2	Very high	96.8	Very high	34 Å²	34	52.1 Å²	52.1	24%	0.238	31%	0.312	C	S	.	.			trans	-109.6	160.5	-179.4	65.3	0	0	0	0	112.3	S36 K86 L105	S36-S103 WeakPolarHBondContact OG-CA 3.35Å; K86-S103 PolarHBondContact O-N 2.76Å; K86-S103 PolarHBondContact O-OG 2.84Å; S103-L105 VanDerWaalsContact C-N 3.34Å; S103-L105 PolarHBondContact O-N 2.75Å
104	S	96.5	Very high	96.8	Very high	81 Å²	81	53.8 Å²	53.8	57%	0.566	31%	0.312	S	S	*	.	S	Bend	trans	51.3	50.8	175.3	-53	0	0	0	0	112.7	A35	A35-S104 PolarHBondContact O-N 2.96Å
105	L	97.1	Very high	96.8	Very high	15 Å²	15	49.3 Å²	49.3	8%	0.079	28%	0.281	C	S	.	.			trans	-63.3	138.3	-172.3	-68	166.2	0	0	0	112.2	V31 G34 A35 V37 L102 S103 D109	V31-L105 HydrophobicContact CG2-CD1 3.37Å; G34-L105 PolarHBondContact N-O 3.49Å; A35-L105 WeakPolarHBondContact O-CG 3.45Å; A35-L105 PolarHBondContact O-N 3.07Å; V37-L105 HydrophobicContact CB-CD1 3.85Å; V37-L105 HydrophobicContact CG1-CD1 3.78Å; V37-L105 HydrophobicContact CG1-CD2 4.33Å; L102-L105 HydrophobicContact CB-CD2 3.73Å; L102-L105 HydrophobicContact CD1-CD2 4.42Å; S103-L105 VanDerWaalsContact C-N 3.34Å; S103-L105 PolarHBondContact O-N 2.75Å; L105-D109 WeakPolarHBondContact CA-OD2 3.16Å; L105-D109 HydrophobicContact CD2-CB 3.63Å
106	T	95.7	Very high	96.8	Very high	65 Å²	65	48.9 Å²	48.9	40%	0.399	28%	0.28	S	S	.	.			trans	-117.9	173.3	174.4	70.3	0	0	0	0	110.2	E108 D109	T106-E108 PolarHBondContact O-N 3.43Å; T106-E108 VanDerWaalsContact O-N 3.16Å; T106-E108 PolarHBondContact OG1-N 2.79Å; T106-D109 PolarHBondContact N-OD2 2.87Å; T106-D109 WeakPolarHBondContact O-CB 3.39Å; T106-D109 PolarHBondContact O-N 3.04Å; T106-D109 PolarHBondContact OG1-OD2 2.88Å
107	S	93.3	Very high	96.6	Very high	103 Å²	103	53.4 Å²	53.4	72%	0.72	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-56.2	-30.3	174.6	51.3	0	0	0	0	112.7	D109 T110	S107-D109 PolarHBondContact O-N 3.45Å; S107-T110 WeakPolarHBondContact O-CB 3.25Å; S107-T110 PolarHBondContact O-N 2.85Å; S107-T110 PolarHBondContact O-OG1 2.82Å; S107-T110 VanDerWaalsContact O-OG1 3.04Å
108	E	92.8	Very high	96.5	Very high	145 Å²	145	55.7 Å²	55.7	68%	0.678	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-66.3	-20.2	177.4	-62.4	-176.5	-177.8	0	0	113.3	K57 T106 T110	K57-E108 WeakPolarHBondContact CE-O 3.15Å; K57-E108 PolarHBondContact NZ-O 3.12Å; T106-E108 PolarHBondContact O-N 3.43Å; T106-E108 VanDerWaalsContact O-N 3.16Å; T106-E108 PolarHBondContact OG1-N 2.79Å; E108-T110 VanDerWaalsContact C-N 3.28Å
109	D	94.9	Very high	96.4	Very high	14 Å²	14	58.6 Å²	58.6	8%	0.075	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-84	-1.9	177.2	-57.9	-51.8	0	0	0	113.7	K57 K86 L105 T106 S107 A111 Y113	K57-D109 IonicContact NZ-OD1 2.72Å; K86-D109 VanDerWaalsContact CE-CG 3.48Å; K86-D109 VanDerWaalsContact CE-OD1 3.24Å; K86-D109 WeakPolarHBondContact CE-OD1 3.47Å; K86-D109 WeakPolarHBondContact CE-OD2 3.47Å; K86-D109 IonicContact NZ-OD1 2.6Å; K86-D109 PolarHBondContact NZ-OD1 2.87Å; K86-D109 IonicContact NZ-OD2 2.73Å; K86-D109 PolarHBondContact NZ-OD2 3.34Å; L105-D109 WeakPolarHBondContact CA-OD2 3.16Å; L105-D109 HydrophobicContact CD2-CB 3.63Å; T106-D109 PolarHBondContact N-OD2 2.87Å; T106-D109 WeakPolarHBondContact O-CB 3.39Å; T106-D109 PolarHBondContact O-N 3.04Å; T106-D109 PolarHBondContact OG1-OD2 2.88Å; S107-D109 PolarHBondContact O-N 3.45Å; D109-A111 PolarHBondContact O-N 3.01Å; D109-Y113 WeakPolarHBondContact O-CE2 2.99Å; D109-Y113 PolarHBondContact O-OH 3.09Å
110	T	94.6	Very high	96.3	Very high	122 Å²	122	59.1 Å²	59.1	75%	0.748	33%	0.33	S	S	*	.			trans	-70.8	101.6	174.1	-51.3	0	0	0	0	108.9	S107 E108	S107-T110 WeakPolarHBondContact O-CB 3.25Å; S107-T110 PolarHBondContact O-N 2.85Å; S107-T110 PolarHBondContact O-OG1 2.82Å; S107-T110 VanDerWaalsContact O-OG1 3.04Å; E108-T110 VanDerWaalsContact C-N 3.28Å
111	A	95.5	Very high	96.2	Very high	34 Å²	34	62.5 Å²	62.5	28%	0.281	35%	0.35	S	S	.	.	S	Bend	trans	-159.6	168.1	-174.2	0	0	0	0	0	111.1	K57 Q58 D109 Y113	K57-A111 HydrophobicContact CD-CB 4.22Å; K57-A111 HydrophobicContact CG-CB 3.67Å; Q58-A111 WeakPolarHBondContact O-CB 3.21Å; D109-A111 PolarHBondContact O-N 3.01Å; A111-Y113 HydrophobicContact CB-CD2 4.48Å; A111-Y113 HydrophobicContact CB-CE2 3.92Å; A111-Y113 WeakPolarHBondContact O-CD2 3.01Å
112	V	96	Very high	96	Very high	71 Å²	71	61.2 Å²	61.2	43%	0.43	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.6	163.1	-173.4	0	0	0	0	108.1	Q58 Y114	Q58-V112 HydrophobicContact CB-CB 4.21Å; Q58-V112 WeakPolarHBondContact CB-O 3.33Å; Q58-V112 PolarHBondContact N-O 3.06Å; V112-Y114 HydrophobicContact CB-CE2 4.21Å; V112-Y114 HydrophobicContact CG1-CD1 4.43Å; V112-Y114 HydrophobicContact CG1-CD2 4.33Å; V112-Y114 HydrophobicContact CG1-CE1 3.81Å; V112-Y114 HydrophobicContact CG1-CE2 3.7Å; V112-Y114 VanDerWaalsContact CG1-CZ 3.41Å
113	Y	97.5	Very high	95.9	Very high	21 Å²	21	65.3 Å²	65.3	8%	0.082	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.2	177	-69.4	-93.8	0	0	0	108.4	Q25 L39 V56 K57 I67 L100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 3.21Å; L39-Y113 HydrophobicContact CD1-CD1 4.47Å; L39-Y113 HydrophobicContact CD1-CD2 4.06Å; L39-Y113 HydrophobicContact CD1-CG 3.76Å; V56-Y113 CarbonylContact O-C 3.58Å; V56-Y113 WeakPolarHBondContact O-CA 3.28Å; K57-Y113 HydrophobicContact CB-CD1 4.19Å; K57-Y113 HydrophobicContact CB-CE1 3.94Å; K57-Y113 HydrophobicContact CD-CE1 4.06Å; K57-Y113 HydrophobicContact CG-CD1 4.38Å; K57-Y113 HydrophobicContact CG-CE1 3.84Å; I67-Y113 HydrophobicContact CD1-CD1 3.57Å; I67-Y113 HydrophobicContact CD1-CE1 3.7Å; L100-Y113 HydrophobicContact CD2-CD1 3.96Å; L102-Y113 HydrophobicContact CD1-CD1 4.11Å; L102-Y113 HydrophobicContact CD1-CE1 3.43Å; L102-Y113 VanDerWaalsContact CD1-CE1 3.43Å; L102-Y113 HydrophobicContact CD1-CE2 4.2Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.48Å; D109-Y113 WeakPolarHBondContact O-CE2 2.99Å; D109-Y113 PolarHBondContact O-OH 3.09Å; A111-Y113 HydrophobicContact CB-CD2 4.48Å; A111-Y113 HydrophobicContact CB-CE2 3.92Å; A111-Y113 WeakPolarHBondContact O-CD2 3.01Å
114	Y	97.6	Very high	95.8	Very high	99 Å²	99	67.5 Å²	67.5	39%	0.388	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.5	179.2	-65.3	-69.7	0	0	0	110.4	Q25 W55 V56 Q58 V112	Q25-Y114 VanDerWaalsContact OE1-CA 3.25Å; W55-Y114 CarbonylContact C-O 3.51Å; W55-Y114 WeakPolarHBondContact CA-O 3.48Å; V56-Y114 PolarHBondContact N-O 3.18Å; V56-Y114 PolarHBondContact O-N 3.38Å; Q58-Y114 HydrophobicContact CB-CD2 4.23Å; Q58-Y114 HydrophobicContact CB-CE2 3.82Å; Q58-Y114 HydrophobicContact CG-CE2 4.34Å; Q58-Y114 PolarHBondContact OE1-OH 3.3Å; V112-Y114 HydrophobicContact CB-CE2 4.21Å; V112-Y114 HydrophobicContact CG1-CD1 4.43Å; V112-Y114 HydrophobicContact CG1-CD2 4.33Å; V112-Y114 HydrophobicContact CG1-CE1 3.81Å; V112-Y114 HydrophobicContact CG1-CE2 3.7Å; V112-Y114 VanDerWaalsContact CG1-CZ 3.41Å
115	C	98.2	Very high	95.7	Very high	12 Å²	12	66.5 Å²	66.5	8%	0.081	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	147.1	159.9	62.4	0	0	0	0	109.6	Q25 C41 H54 W55	Q25-C115 WeakPolarHBondContact CG-SG 3.21Å; Q25-C115 PolarHBondContact OE1-SG 2.72Å; C41-C115 HydrophobicContact CB-CB 3.43Å; C41-C115 VanDerWaalsContact CB-CB 3.43Å; C41-C115 WeakPolarHBondContact CB-SG 3.41Å; C41-C115 WeakPolarHBondContact SG-CB 3.39Å; C41-C115 CovalentContact SG-SG 2.01Å; C41-C115 PolarHBondContact SG-SG 2.97Å; H54-C115 CarbonylContact O-C 3.59Å; H54-C115 VanDerWaalsContact O-CA 3.28Å; H54-C115 WeakPolarHBondContact O-CA 3.36Å; W55-C115 HydrophobicContact CD2-CB 4.17Å; W55-C115 HydrophobicContact CE3-CB 4.03Å; W55-C115 HydrophobicContact CH2-CB 4.01Å; W55-C115 HydrophobicContact CZ2-CB 4.12Å; W55-C115 HydrophobicContact CZ3-CB 3.95Å
116	A	97.5	Very high	95.6	Very high	39 Å²	39	70.8 Å²	70.8	32%	0.322	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	149.5	175.6	0	0	0	0	0	109.8	H54	H54-A116 HydrophobicContact CB-CB 4.43Å; H54-A116 PolarHBondContact N-O 3.08Å; H54-A116 PolarHBondContact O-N 3.23Å
117	R	93.4	Very high	95.6	Very high	124 Å²	124	71.3 Å²	71.3	47%	0.468	39%	0.389	S	S	.	.			trans	-96.3	0	167.8	-174.1	-176.3	75.5	173.3	-4.1	109.1	L23 F46 Y51 M53	L23-R117 HydrophobicContact CD1-CB 4.42Å; F46-R117 HydrophobicContact CE2-CG 4.18Å; F46-R117 HydrophobicContact CZ-CB 4.45Å; F46-R117 HydrophobicContact CZ-CG 4.35Å; Y51-R117 VanDerWaalsContact CB-CG 3.46Å; Y51-R117 HydrophobicContact CD1-CG 3.73Å; Y51-R117 HydrophobicContact CD2-CG 4.29Å; Y51-R117 VanDerWaalsContact CG-CD 3.4Å; Y51-R117 HydrophobicContact CG-CG 3.58Å; M53-R117 HydrophobicContact SD-CB 4.24Å; M53-R117 HydrophobicContact SD-CG 4.4Å

Retrieved 117 of 117 residues in 59.4 ms (Link to these results)

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