A0A075B5R9_MOUSE Loading...

Immunoglobulin heavy variable V14-3

AlphaFold DB , UniProt , Accession A0A075B5R9, Species MOUSE (Mus musculus, Mouse), Gene Ighv14-3, Length 117 aa.

						>A0A075B5R9_MOUSE|A0A075B5R9|Ighv14-3
MKFSWVIFFLMAVVTGVNSEVQLQQSVAELVRPGASVKLSCTASGFNIKNTYMHWVKQRPEQGLEWIGRIDPANGNTKYAPKFQGKATITADTSSNTAYLQLSSLTSEDTAIYYCAR
					

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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	51.4	Low	59.6	Low	239 Å²	239	161.7 Å²	161.7	100%	1.177	77%	0.769	S	S	*	*				0	34.6	0	-131.6	154.7	84.1	0	0	113.3
2	K	57.6	Low	59.9	Low	198 Å²	198	155.6 Å²	155.6	86%	0.861	77%	0.766	S	S	*	*			trans	-107.7	-5.3	-177.4	-80.7	-179.2	173.3	176.5	0	114.7
3	F	56	Low	60.4	Low	180 Å²	180	152.5 Å²	152.5	79%	0.789	76%	0.761	S	S	*	*	S	Bend	trans	-93.7	-8.2	-176.5	-78.9	-81.6	0	0	0	114.6	W5	F3-W5 PolarHBondContact O-N 2.77Å
4	S	65.6	Low	60.9	Low	84 Å²	84	151 Å²	151	59%	0.587	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-19	-172.5	-160.7	0	0	0	0	114.6
5	W	57.7	Low	61.1	Low	215 Å²	215	149 Å²	149	81%	0.814	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-21.7	-178.8	-102.5	-10.7	0	0	0	114.7	F3 I7 F8	F3-W5 PolarHBondContact O-N 2.77Å; W5-I7 PolarHBondContact O-N 3.16Å; W5-F8 PolarHBondContact O-N 2.98Å
6	V	63.6	Low	61.2	Low	93 Å²	93	142.9 Å²	142.9	56%	0.564	75%	0.747	S	S	*	*	H	α-helix	trans	-66.3	-30.1	177.5	-176.6	0	0	0	0	111.1	F8 F9	V6-F8 VanDerWaalsContact C-N 3.34Å; V6-F8 PolarHBondContact O-N 3.3Å; V6-F9 PolarHBondContact O-N 3.13Å
7	I	62.1	Low	61.5	Low	121 Å²	121	142.4 Å²	142.4	62%	0.621	75%	0.751	S	S	*	*	H	α-helix	trans	-69.7	-30.1	-179.3	-59.2	175.1	0	0	0	111.9	W5 F9	W5-I7 PolarHBondContact O-N 3.16Å; I7-F9 PolarHBondContact O-N 3.47Å
8	F	57.8	Low	61.6	Low	167 Å²	167	142.2 Å²	142.2	73%	0.732	75%	0.751	S	S	*	*	H	α-helix	trans	-74.5	-22.3	-179.6	-91.7	-81.9	0	0	0	114	W5 V6	W5-F8 PolarHBondContact O-N 2.98Å; V6-F8 VanDerWaalsContact C-N 3.34Å; V6-F8 PolarHBondContact O-N 3.3Å
9	F	58.5	Low	62	Low	183 Å²	183	140.7 Å²	140.7	80%	0.803	75%	0.753	S	S	*	*	H	α-helix	trans	-81	-18.3	-179.2	-89.9	-86.1	0	0	0	114.4	V6 I7	V6-F9 PolarHBondContact O-N 3.13Å; I7-F9 PolarHBondContact O-N 3.47Å
10	L	61.7	Low	63.2	Low	138 Å²	138	140.9 Å²	140.9	72%	0.723	75%	0.749	S	S	*	*	S	Bend	trans	-92.9	-7.7	-172.2	-90.6	156.6	0	0	0	115.4
11	M	63.5	Low	64.6	Low	161 Å²	161	137.3 Å²	137.3	79%	0.793	73%	0.732	S	S	*	*			trans	-91.8	5.9	-173.4	-72.9	-78.5	-73.9	0	0	114.9	V13	M11-V13 PolarHBondContact O-N 3.43Å
12	A	62.9	Low	66.6	Low	88 Å²	88	130.6 Å²	130.6	73%	0.727	70%	0.698	S	S	*	*			trans	-81.4	61.6	171.5	0	0	0	0	0	110.9	V14	A12-V14 VanDerWaalsContact C-N 3.35Å; A12-V14 PolarHBondContact O-N 3.18Å
13	V	67.5	Low	68.5	Low	116 Å²	116	123.4 Å²	123.4	70%	0.703	67%	0.669	S	S	*	*			trans	-70	99.3	164.3	179.8	0	0	0	0	106.4	M11 T15	M11-V13 PolarHBondContact O-N 3.43Å; V13-T15 PolarHBondContact O-N 2.91Å
14	V	66.2	Low	70.4	Confident	131 Å²	131	120.6 Å²	120.6	79%	0.794	66%	0.658	S	S	*	*			trans	-61.3	102	173	169.8	0	0	0	0	107.5	A12 G16	A12-V14 VanDerWaalsContact C-N 3.35Å; A12-V14 PolarHBondContact O-N 3.18Å; V14-G16 PolarHBondContact O-N 3.27Å
15	T	64.1	Low	71.9	Confident	121 Å²	121	119.3 Å²	119.3	74%	0.742	64%	0.643	S	S	*	*			trans	-74	77.6	167.2	55.7	0	0	0	0	107.8	V13 V17	V13-T15 PolarHBondContact O-N 2.91Å; T15-V17 PolarHBondContact O-N 2.89Å
16	G	62.7	Low	73.7	Confident	51 Å²	51	111 Å²	111	53%	0.526	62%	0.617	S	S	.	*			trans	-64.9	102.3	165.1	0	0	0	0	0	107.9	V14 N18	V14-G16 PolarHBondContact O-N 3.27Å; G16-N18 VanDerWaalsContact C-N 3.29Å; G16-N18 PolarHBondContact O-N 3.4Å
17	V	67.2	Low	74.9	Confident	135 Å²	135	112.7 Å²	112.7	82%	0.818	63%	0.628	S	S	*	*			trans	-75.1	91.6	170.1	-176.4	0	0	0	0	106.5	T15 S19	T15-V17 PolarHBondContact O-N 2.89Å; V17-S19 PolarHBondContact O-N 3.47Å
18	N	62.8	Low	76.2	Confident	139 Å²	139	111.8 Å²	111.8	74%	0.743	64%	0.638	S	S	*	*			trans	-70.1	116.7	167.7	-68.7	-24.1	0	0	0	107.1	G16 E20	G16-N18 VanDerWaalsContact C-N 3.29Å; G16-N18 PolarHBondContact O-N 3.4Å; N18-E20 PolarHBondContact O-N 3.34Å
19	S	69.9	Low	77.6	Confident	113 Å²	113	109.5 Å²	109.5	79%	0.79	63%	0.63	S	S	*	*			trans	-73.9	72.1	170.1	58.9	0	0	0	0	108.9	V17	V17-S19 PolarHBondContact O-N 3.47Å
20	E	86	Confident	79.1	Confident	144 Å²	144	109.1 Å²	109.1	67%	0.673	64%	0.636	S	S	*	*			trans	-80.2	140.8	179.4	-167	169.6	179.4	0	0	110.3	N18	N18-E20 PolarHBondContact O-N 3.34Å
21	V	91.2	Very high	80.5	Confident	66 Å²	66	104.7 Å²	104.7	40%	0.4	61%	0.614	S	S	.	*			trans	-79.3	121.7	172.9	167.5	0	0	0	0	108.5	S44 F46	V21-S44 WeakPolarHBondContact CA-O 3.3Å; V21-F46 HydrophobicContact CG1-CD1 3.59Å; V21-F46 HydrophobicContact CG1-CE1 3.7Å; V21-F46 HydrophobicContact CG2-CD1 4.35Å
22	Q	94.1	Very high	81.8	Confident	99 Å²	99	107.2 Å²	107.2	46%	0.463	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.8	150.7	-179.2	-166.3	-175.4	-12.5	0	0	111.5	A43 S44	Q22-A43 WeakPolarHBondContact O-CA 3.14Å; Q22-S44 WeakPolarHBondContact CB-OG 3.47Å; Q22-S44 PolarHBondContact N-O 3.45Å; Q22-S44 VanDerWaalsContact N-O 3.1Å; Q22-S44 PolarHBondContact O-N 3.5Å
23	L	96.7	Very high	83.2	Confident	47 Å²	47	108.4 Å²	108.4	25%	0.246	62%	0.615	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-117	116.1	166.8	-66	-179.4	0	0	0	108.1	T42 A43 F46 M53	L23-T42 WeakPolarHBondContact CA-O 3.33Å; L23-A43 HydrophobicContact CD2-CB 3.89Å; L23-F46 HydrophobicContact CD2-CE1 4.05Å; L23-F46 HydrophobicContact CD2-CZ 3.79Å; L23-M53 HydrophobicContact CD1-CE 4.23Å; L23-M53 HydrophobicContact CD2-CE 3.9Å
24	Q	96.8	Very high	84.5	Confident	121 Å²	121	105.5 Å²	105.5	57%	0.565	61%	0.608	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.6	117	178.9	-177.1	68.5	-20.6	0	0	110.5	C41 T42	Q24-C41 CarbonylContact O-C 3.4Å; Q24-C41 WeakPolarHBondContact O-CA 3.36Å; Q24-T42 PolarHBondContact N-O 3.01Å; Q24-T42 PolarHBondContact O-N 2.64Å
25	Q	97.3	Very high	85.9	Confident	57 Å²	57	100.9 Å²	100.9	27%	0.266	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.3	155.1	-177	-68.6	-169.1	-125.2	0	0	112.9	S40 C41 Y113 C115	Q25-S40 CarbonylContact C-O 3.53Å; Q25-S40 VanDerWaalsContact CA-O 3.28Å; Q25-S40 WeakPolarHBondContact CA-O 3.48Å; Q25-C41 HydrophobicContact CG-CB 4.33Å; Q25-Y113 PolarHBondContact NE2-O 3.28Å; Q25-C115 WeakPolarHBondContact CG-SG 3.49Å
26	S	94.8	Very high	87.3	Confident	39 Å²	39	98.1 Å²	98.1	27%	0.273	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-56.9	150	167.1	53.2	0	0	0	0	111.2	L39 S40	S26-L39 WeakPolarHBondContact OG-CA 3.39Å; S26-S40 WeakPolarHBondContact CB-OG 3.45Å; S26-S40 PolarHBondContact N-O 2.7Å; S26-S40 PolarHBondContact OG-N 2.96Å; S26-S40 VanDerWaalsContact OG-N 3.13Å
27	V	90.1	Very high	88.9	Confident	130 Å²	130	96.3 Å²	96.3	79%	0.788	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-61.9	151.9	175.9	-174.9	0	0	0	0	110	E29	V27-E29 PolarHBondContact O-N 3.02Å
28	A	87.6	Confident	90.3	Very high	101 Å²	101	95.3 Å²	95.3	84%	0.835	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-54.9	134.7	173.8	0	0	0	0	0	111
29	E	88.9	Confident	92	Very high	119 Å²	119	89.5 Å²	89.5	56%	0.556	50%	0.502	S	S	*	.			trans	-122.1	128	-178	-164	179.1	157.9	0	0	109.9	V27 V31 V37	V27-E29 PolarHBondContact O-N 3.02Å; E29-V31 HydrophobicContact CG-CG1 3.81Å; E29-V31 WeakPolarHBondContact OE1-CG1 3.14Å; E29-V37 HydrophobicContact CB-CG2 4.22Å; E29-V37 HydrophobicContact CG-CG2 4.47Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.35Å
30	L	88.8	Confident	93.3	Very high	176 Å²	176	85.6 Å²	85.6	92%	0.921	48%	0.475	S	S	*	.			trans	-96	117.4	171.9	-178.1	65	0	0	0	109
31	V	90.9	Very high	93.9	Very high	44 Å²	44	78.8 Å²	78.8	27%	0.267	44%	0.443	S	S	.	.			trans	-122.6	155.5	-177.5	-61.9	0	0	0	0	111.1	E29 A35 V37 L105	E29-V31 HydrophobicContact CG-CG1 3.81Å; E29-V31 WeakPolarHBondContact OE1-CG1 3.14Å; V31-A35 HydrophobicContact CB-CB 4.36Å; V31-V37 HydrophobicContact CG1-CB 4.4Å; V31-V37 HydrophobicContact CG1-CG2 4.36Å; V31-L105 HydrophobicContact CB-CD1 4.49Å; V31-L105 HydrophobicContact CG2-CD1 3.3Å
32	R	91.4	Very high	94.2	Very high	214 Å²	214	78.1 Å²	78.1	81%	0.808	44%	0.439	S	S	*	.			trans	-73.8	149.9	177.3	-63.4	179.1	-173.6	160.5	2.1	110.4	A35	R32-A35 WeakPolarHBondContact O-CB 3.46Å; R32-A35 PolarHBondContact O-N 3.3Å; R32-A35 VanDerWaalsContact O-N 3.13Å
33	P	92	Very high	94.4	Very high	113 Å²	113	73.7 Å²	73.7	73%	0.734	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	143.3	169.3	-25.1	34.4	0	0	0	111.9	A35 L105	P33-A35 PolarHBondContact O-N 3.33Å; P33-L105 CarbonylContact C-O 3.55Å; P33-L105 WeakPolarHBondContact CA-O 3.35Å
34	G	94.2	Very high	94.3	Very high	55 Å²	55	73.9 Å²	73.9	57%	0.567	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-14.3	-175.7	0	0	0	0	0	114.7	L105	G34-L105 PolarHBondContact N-O 3.47Å
35	A	95.6	Very high	94.2	Very high	35 Å²	35	70.7 Å²	70.7	29%	0.289	42%	0.424	S	S	.	.			trans	-71.1	173.4	175.2	0	0	0	0	0	111.8	V31 R32 P33 S104 L105	V31-A35 HydrophobicContact CB-CB 4.36Å; R32-A35 WeakPolarHBondContact O-CB 3.46Å; R32-A35 PolarHBondContact O-N 3.3Å; R32-A35 VanDerWaalsContact O-N 3.13Å; P33-A35 PolarHBondContact O-N 3.33Å; A35-S104 PolarHBondContact O-N 2.82Å; A35-L105 WeakPolarHBondContact O-CG 3.36Å; A35-L105 PolarHBondContact O-N 2.77Å
36	S	95.2	Very high	94	Very high	62 Å²	62	69.6 Å²	69.6	43%	0.434	42%	0.419	S	S	.	.			trans	-115	150.5	169.9	-56.2	0	0	0	0	109.8	L102 S103	S36-L102 CarbonylContact C-O 3.55Å; S36-L102 WeakPolarHBondContact CA-O 3.45Å; S36-L102 WeakPolarHBondContact CB-O 3.34Å; S36-S103 WeakPolarHBondContact OG-CA 3.35Å
37	V	96.3	Very high	94.1	Very high	14 Å²	14	71.3 Å²	71.3	9%	0.085	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.8	175.4	70.2	0	0	0	0	109.5	E29 V31 L39 Q101 L102 L105	E29-V37 HydrophobicContact CB-CG2 4.22Å; E29-V37 HydrophobicContact CG-CG2 4.47Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.35Å; V31-V37 HydrophobicContact CG1-CB 4.4Å; V31-V37 HydrophobicContact CG1-CG2 4.36Å; V37-L39 HydrophobicContact CG2-CD2 4.1Å; V37-Q101 VanDerWaalsContact O-CA 3.3Å; V37-Q101 WeakPolarHBondContact O-CA 3.1Å; V37-L102 HydrophobicContact CG1-CB 4.1Å; V37-L102 HydrophobicContact CG1-CD1 4.35Å; V37-L102 PolarHBondContact N-O 2.57Å; V37-L102 PolarHBondContact O-N 2.82Å; V37-L105 HydrophobicContact CB-CD1 3.97Å; V37-L105 HydrophobicContact CG1-CD1 3.8Å; V37-L105 HydrophobicContact CG1-CD2 4.47Å
38	K	96.7	Very high	94.4	Very high	114 Å²	114	65.1 Å²	65.1	50%	0.496	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	107.3	174.2	-175.4	-179.6	179.5	-179.2	0	109.6	Y99	K38-Y99 HydrophobicContact CD-CD1 4.47Å; K38-Y99 VanDerWaalsContact CE-CD1 3.43Å; K38-Y99 HydrophobicContact CG-CD1 4.44Å
39	L	97.8	Very high	94.9	Very high	17 Å²	17	65 Å²	65	9%	0.089	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	146.4	176	-55.4	176.7	0	0	0	110	S26 V37 W55 Y99 L100 Y113	S26-L39 WeakPolarHBondContact OG-CA 3.39Å; V37-L39 HydrophobicContact CG2-CD2 4.1Å; L39-W55 HydrophobicContact CB-CH2 4.07Å; L39-W55 HydrophobicContact CB-CZ3 4.16Å; L39-W55 HydrophobicContact CD1-CZ3 4.49Å; L39-Y99 WeakPolarHBondContact O-CA 3.29Å; L39-L100 HydrophobicContact CB-CB 4.45Å; L39-L100 HydrophobicContact CD1-CD2 4.27Å; L39-L100 PolarHBondContact N-O 3.29Å; L39-L100 PolarHBondContact O-N 2.96Å; L39-Y113 VanDerWaalsContact CD1-CB 3.43Å; L39-Y113 HydrophobicContact CD1-CD1 4.38Å; L39-Y113 HydrophobicContact CD1-CD2 4.11Å; L39-Y113 HydrophobicContact CD1-CG 3.73Å
40	S	98	Very high	95.2	Very high	31 Å²	31	65.6 Å²	65.6	22%	0.217	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	152.3	174.6	68.1	0	0	0	0	111.5	Q25 S26 A98	Q25-S40 CarbonylContact C-O 3.53Å; Q25-S40 VanDerWaalsContact CA-O 3.28Å; Q25-S40 WeakPolarHBondContact CA-O 3.48Å; S26-S40 WeakPolarHBondContact CB-OG 3.45Å; S26-S40 PolarHBondContact N-O 2.7Å; S26-S40 PolarHBondContact OG-N 2.96Å; S26-S40 VanDerWaalsContact OG-N 3.13Å; S40-A98 CarbonylContact C-O 3.56Å; S40-A98 WeakPolarHBondContact CA-O 3.49Å
41	C	98	Very high	95.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	106.9	176	175.2	0	0	0	0	109.3	Q24 Q25 W55 T97 A98 C115	Q24-C41 CarbonylContact O-C 3.4Å; Q24-C41 WeakPolarHBondContact O-CA 3.36Å; Q25-C41 HydrophobicContact CG-CB 4.33Å; C41-W55 HydrophobicContact CB-CH2 3.72Å; C41-W55 HydrophobicContact CB-CZ2 3.85Å; C41-T97 CarbonylContact O-C 3.58Å; C41-T97 WeakPolarHBondContact O-CA 3.4Å; C41-A98 PolarHBondContact N-O 2.91Å; C41-A98 PolarHBondContact O-N 2.74Å; C41-C115 HydrophobicContact CB-CB 3.42Å; C41-C115 VanDerWaalsContact CB-CB 3.42Å; C41-C115 WeakPolarHBondContact CB-SG 3.46Å; C41-C115 WeakPolarHBondContact SG-CB 3.43Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 2.93Å
42	T	97.7	Very high	95.9	Very high	53 Å²	53	61 Å²	61	33%	0.325	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	124.8	-178.1	-54.2	0	0	0	0	109.7	L23 Q24	L23-T42 WeakPolarHBondContact CA-O 3.33Å; Q24-T42 PolarHBondContact N-O 3.01Å; Q24-T42 PolarHBondContact O-N 2.64Å
43	A	96.9	Very high	96.2	Very high	5 Å²	5	50.8 Å²	50.8	4%	0.041	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	143	175.7	0	0	0	0	0	111.1	Q22 L23 F46 I48 N96	Q22-A43 WeakPolarHBondContact O-CA 3.14Å; L23-A43 HydrophobicContact CD2-CB 3.89Å; A43-F46 HydrophobicContact CB-CD1 4.35Å; A43-F46 HydrophobicContact CB-CE1 3.62Å; A43-F46 HydrophobicContact CB-CE2 3.94Å; A43-F46 HydrophobicContact CB-CZ 3.39Å; A43-I48 HydrophobicContact CB-CB 4.42Å; A43-I48 HydrophobicContact CB-CD1 4.27Å; A43-I48 HydrophobicContact CB-CG1 4.39Å; A43-N96 VanDerWaalsContact C-ND2 3.34Å; A43-N96 WeakPolarHBondContact CB-ND2 3.34Å; A43-N96 PolarHBondContact N-O 2.86Å; A43-N96 PolarHBondContact O-ND2 3.05Å
44	S	95.4	Very high	96.5	Very high	51 Å²	51	47.9 Å²	47.9	36%	0.357	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	155.4	168	61.5	0	0	0	0	110.3	V21 Q22 F46	V21-S44 WeakPolarHBondContact CA-O 3.3Å; Q22-S44 WeakPolarHBondContact CB-OG 3.47Å; Q22-S44 PolarHBondContact N-O 3.45Å; Q22-S44 VanDerWaalsContact N-O 3.1Å; Q22-S44 PolarHBondContact O-N 3.5Å; S44-F46 WeakPolarHBondContact O-CD1 3.47Å; S44-F46 PolarHBondContact O-N 3.42Å
45	G	94.3	Very high	96.7	Very high	55 Å²	55	45.2 Å²	45.2	57%	0.567	26%	0.255	S	S	*	.	S	Bend	trans	78.1	-2.2	-176.6	0	0	0	0	0	115
46	F	94.2	Very high	96.8	Very high	33 Å²	33	44.8 Å²	44.8	15%	0.145	25%	0.248	C	C	.	.	S	Bend	trans	-155.3	161.2	172.4	68.5	-78	0	0	0	111.6	V21 L23 A43 S44 T51 M53 N96 R117	V21-F46 HydrophobicContact CG1-CD1 3.59Å; V21-F46 HydrophobicContact CG1-CE1 3.7Å; V21-F46 HydrophobicContact CG2-CD1 4.35Å; L23-F46 HydrophobicContact CD2-CE1 4.05Å; L23-F46 HydrophobicContact CD2-CZ 3.79Å; A43-F46 HydrophobicContact CB-CD1 4.35Å; A43-F46 HydrophobicContact CB-CE1 3.62Å; A43-F46 HydrophobicContact CB-CE2 3.94Å; A43-F46 HydrophobicContact CB-CZ 3.39Å; S44-F46 WeakPolarHBondContact O-CD1 3.47Å; S44-F46 PolarHBondContact O-N 3.42Å; F46-T51 HydrophobicContact CE2-CG2 3.92Å; F46-M53 HydrophobicContact CE2-SD 4.47Å; F46-N96 PolarHBondContact O-ND2 3.03Å; F46-R117 HydrophobicContact CZ-CB 4.47Å
47	N	95.7	Very high	96.9	Very high	76 Å²	76	41.9 Å²	41.9	41%	0.406	23%	0.228	S	C	.	.			trans	-87.6	117.4	173.3	-172.3	-24.6	0	0	0	110.2	K49 N50	N47-K49 PolarHBondContact O-N 3.34Å; N47-K49 WeakPolarHBondContact OD1-CB 3.28Å; N47-K49 PolarHBondContact OD1-N 3.16Å; N47-N50 PolarHBondContact O-N 3.19Å
48	I	96.9	Very high	96.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-59.7	-27.3	-179.5	-150.6	172.4	0	0	0	112	A43 N50 T51 M53 P72 T93 N96 A98	A43-I48 HydrophobicContact CB-CB 4.42Å; A43-I48 HydrophobicContact CB-CD1 4.27Å; A43-I48 HydrophobicContact CB-CG1 4.39Å; I48-N50 PolarHBondContact O-N 3.48Å; I48-N50 VanDerWaalsContact O-N 3.12Å; I48-T51 PolarHBondContact O-N 3.32Å; I48-T51 VanDerWaalsContact O-N 3.09Å; I48-M53 HydrophobicContact CD1-CE 4.43Å; I48-M53 HydrophobicContact CD1-CG 3.67Å; I48-M53 HydrophobicContact CD1-SD 4Å; I48-M53 HydrophobicContact CG1-CG 3.45Å; I48-M53 VanDerWaalsContact CG1-CG 3.45Å; I48-M53 HydrophobicContact CG1-SD 3.62Å; I48-P72 HydrophobicContact CG1-CG 4.23Å; I48-P72 HydrophobicContact CG2-CB 4.32Å; I48-P72 VanDerWaalsContact O-CG 3.3Å; I48-P72 WeakPolarHBondContact O-CG 2.98Å; I48-T93 HydrophobicContact CG2-CG2 4.31Å; I48-N96 WeakPolarHBondContact CB-OD1 3.35Å; I48-N96 VanDerWaalsContact CG2-OD1 3.27Å; I48-N96 WeakPolarHBondContact CG2-OD1 3.45Å; I48-N96 PolarHBondContact N-OD1 2.92Å; I48-A98 HydrophobicContact CD1-CB 3.94Å
49	K	97.3	Very high	96.7	Very high	99 Å²	99	40.7 Å²	40.7	43%	0.43	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-54.8	-31.1	174.8	-167.1	179.2	177.6	178.3	0	112.5	N47 T51 A73 T93	N47-K49 PolarHBondContact O-N 3.34Å; N47-K49 WeakPolarHBondContact OD1-CB 3.28Å; N47-K49 PolarHBondContact OD1-N 3.16Å; K49-T51 VanDerWaalsContact C-N 3.33Å; K49-A73 HydrophobicContact CG-CB 4.28Å; K49-A73 WeakPolarHBondContact O-CB 3.4Å; K49-A73 PolarHBondContact O-N 2.95Å; K49-T93 HydrophobicContact CB-CG2 3.92Å; K49-T93 HydrophobicContact CG-CG2 4.11Å
50	N	95.9	Very high	96.1	Very high	131 Å²	131	45.8 Å²	45.8	70%	0.701	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-95.5	15.7	-175.3	-59	-24.3	0	0	0	112.5	N47 I48	N47-N50 PolarHBondContact O-N 3.19Å; I48-N50 PolarHBondContact O-N 3.48Å; I48-N50 VanDerWaalsContact O-N 3.12Å
51	T	95.8	Very high	95.6	Very high	25 Å²	25	53.3 Å²	53.3	15%	0.153	29%	0.287	C	S	.	.	S	Bend	trans	-147.7	129.7	-167.4	-68.6	0	0	0	0	111.3	F46 I48 K49 M53 P72 R117	F46-T51 HydrophobicContact CE2-CG2 3.92Å; I48-T51 PolarHBondContact O-N 3.32Å; I48-T51 VanDerWaalsContact O-N 3.09Å; K49-T51 VanDerWaalsContact C-N 3.33Å; T51-M53 HydrophobicContact CG2-SD 3.98Å; T51-M53 PolarHBondContact O-N 2.97Å; T51-P72 WeakPolarHBondContact O-CD 3.4Å; T51-P72 WeakPolarHBondContact O-CG 3.37Å; T51-R117 HydrophobicContact CG2-CB 3.9Å; T51-R117 VanDerWaalsContact CG2-CD 3.42Å; T51-R117 HydrophobicContact CG2-CG 3.31Å
52	Y	97.9	Very high	95.1	Very high	98 Å²	98	59 Å²	59	38%	0.384	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-67.1	129.2	170.4	-68.5	-85.3	0	0	0	110	R69 I70 D71	Y52-R69 VanDerWaalsContact CE1-CZ 3.45Å; Y52-R69 VanDerWaalsContact CE1-NH1 3.25Å; Y52-I70 WeakPolarHBondContact CA-O 3.46Å; Y52-D71 HydrophobicContact CD1-CB 3.82Å; Y52-D71 HydrophobicContact CE1-CB 3.53Å
53	M	98.2	Very high	94.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.9	176.6	-63.9	-56.3	-54.6	0	0	109.4	L23 F46 I48 T51 R69 I70 P72 A98	L23-M53 HydrophobicContact CD1-CE 4.23Å; L23-M53 HydrophobicContact CD2-CE 3.9Å; F46-M53 HydrophobicContact CE2-SD 4.47Å; I48-M53 HydrophobicContact CD1-CE 4.43Å; I48-M53 HydrophobicContact CD1-CG 3.67Å; I48-M53 HydrophobicContact CD1-SD 4Å; I48-M53 HydrophobicContact CG1-CG 3.45Å; I48-M53 VanDerWaalsContact CG1-CG 3.45Å; I48-M53 HydrophobicContact CG1-SD 3.62Å; T51-M53 HydrophobicContact CG2-SD 3.98Å; T51-M53 PolarHBondContact O-N 2.97Å; M53-R69 CarbonylContact O-C 3.6Å; M53-R69 WeakPolarHBondContact O-CA 3.4Å; M53-R69 WeakPolarHBondContact O-CB 3.13Å; M53-I70 HydrophobicContact CB-CG2 3.88Å; M53-I70 PolarHBondContact N-O 3.24Å; M53-I70 PolarHBondContact O-N 3.1Å; M53-P72 HydrophobicContact CG-CG 4.1Å; M53-A98 HydrophobicContact CB-CB 4.04Å; M53-A98 HydrophobicContact CG-CB 4.13Å
54	H	98.5	Very high	94.7	Very high	51 Å²	51	63.5 Å²	63.5	24%	0.236	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	146.8	179.9	-70.8	-111.6	0	0	0	110.4	W66 G68 C115 A116	H54-W66 AromaticContact CG-NE1 3.93Å; H54-W66 AromaticContact ND1-CD1 3.91Å; H54-W66 AromaticContact ND1-CE2 3.95Å; H54-W66 AromaticContact ND1-NE1 3.11Å; H54-W66 PolarHBondContact ND1-NE1 2.85Å; H54-W66 VanDerWaalsContact ND1-NE1 3.11Å; H54-G68 WeakPolarHBondContact CA-O 3.48Å; H54-C115 CarbonylContact O-C 3.6Å; H54-C115 WeakPolarHBondContact O-CA 3.42Å; H54-A116 HydrophobicContact CB-CB 4.31Å; H54-A116 PolarHBondContact N-O 2.96Å; H54-A116 PolarHBondContact O-N 3.13Å
55	W	98.5	Very high	94.8	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.7	171.1	-73.3	95	0	0	0	110.2	L39 C41 I67 G68 I89 A98 L100 Y114 C115	L39-W55 HydrophobicContact CB-CH2 4.07Å; L39-W55 HydrophobicContact CB-CZ3 4.16Å; L39-W55 HydrophobicContact CD1-CZ3 4.49Å; C41-W55 HydrophobicContact CB-CH2 3.72Å; C41-W55 HydrophobicContact CB-CZ2 3.85Å; W55-I67 HydrophobicContact CB-CB 4.16Å; W55-I67 HydrophobicContact CB-CD1 4.29Å; W55-I67 WeakPolarHBondContact O-CB 3.22Å; W55-I67 PolarHBondContact O-N 2.73Å; W55-G68 PolarHBondContact N-O 2.82Å; W55-I89 HydrophobicContact CB-CD1 4.49Å; W55-A98 HydrophobicContact CZ2-CB 4.36Å; W55-L100 HydrophobicContact CB-CD2 4.11Å; W55-L100 HydrophobicContact CD2-CB 3.49Å; W55-L100 VanDerWaalsContact CD2-CB 3.49Å; W55-L100 HydrophobicContact CD2-CD2 3.9Å; W55-L100 HydrophobicContact CD2-CG 4.26Å; 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 3.96Å; W55-L100 HydrophobicContact CG-CD2 4.1Å; W55-L100 HydrophobicContact CG-CG 4.44Å; W55-L100 HydrophobicContact CH2-CB 4.03Å; W55-L100 HydrophobicContact CZ2-CB 3.79Å; W55-L100 HydrophobicContact CZ3-CB 4.02Å; W55-L100 HydrophobicContact CZ3-CD2 4.36Å; W55-Y114 WeakPolarHBondContact CA-O 3.09Å; W55-C115 HydrophobicContact CD2-CB 4.23Å; W55-C115 HydrophobicContact CE3-CB 4.05Å; W55-C115 HydrophobicContact CH2-CB 4.01Å; W55-C115 HydrophobicContact CZ2-CB 4.16Å; W55-C115 HydrophobicContact CZ3-CB 3.95Å
56	V	98	Very high	94.9	Very high	25 Å²	25	65.1 Å²	65.1	15%	0.152	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	135.7	-175	-176	0	0	0	0	109.2	L64 E65 Y113 Y114	V56-L64 HydrophobicContact CG1-CB 3.85Å; V56-L64 HydrophobicContact CG1-CD2 3.9Å; V56-L64 HydrophobicContact CG1-CG 4.36Å; V56-E65 CarbonylContact C-O 3.56Å; V56-E65 WeakPolarHBondContact CA-O 3.36Å; V56-Y113 CarbonylContact O-C 3.55Å; V56-Y113 WeakPolarHBondContact O-CA 3.32Å; V56-Y114 PolarHBondContact N-O 3.45Å; V56-Y114 PolarHBondContact O-N 3.24Å
57	K	96.7	Very high	95.1	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.009	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.7	171.6	-176.8	-179.8	-178.2	177.9	0	108.8	L64 E65 I67 F83 E108 D109 A111 I112 Y113	K57-L64 CarbonylContact O-C 3.59Å; K57-E65 HydrophobicContact CB-CB 4.31Å; K57-E65 PolarHBondContact N-O 2.89Å; K57-E65 PolarHBondContact O-N 2.74Å; K57-I67 HydrophobicContact CB-CD1 4.01Å; K57-I67 HydrophobicContact CB-CG1 4.12Å; K57-F83 HydrophobicContact CB-CZ 4.29Å; K57-F83 HydrophobicContact CD-CE1 4.1Å; K57-F83 HydrophobicContact CD-CZ 3.87Å; K57-E108 WeakPolarHBondContact CE-O 2.99Å; K57-E108 PolarHBondContact NZ-O 3.4Å; K57-D109 IonicContact NZ-OD1 3.92Å; K57-A111 HydrophobicContact CD-CB 4.08Å; K57-A111 VanDerWaalsContact CE-CB 3.44Å; K57-A111 HydrophobicContact CG-CB 3.5Å; K57-A111 VanDerWaalsContact CG-CB 3.5Å; K57-I112 CarbonylContact C-O 3.59Å; K57-Y113 HydrophobicContact CB-CD1 4.24Å; K57-Y113 HydrophobicContact CB-CE1 3.97Å; K57-Y113 HydrophobicContact CD-CE1 4.09Å; K57-Y113 HydrophobicContact CG-CD1 4.39Å; K57-Y113 HydrophobicContact CG-CE1 3.84Å
58	Q	95.9	Very high	95.2	Very high	65 Å²	65	59.9 Å²	59.9	30%	0.304	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.2	172	-170	173.6	24.4	0	0	110.5	G63 L64 A111 I112 Y114	Q58-G63 WeakPolarHBondContact CA-O 3.44Å; Q58-L64 HydrophobicContact CB-CD2 3.63Å; Q58-L64 HydrophobicContact CG-CD2 3.65Å; Q58-A111 WeakPolarHBondContact O-CB 3.18Å; Q58-I112 PolarHBondContact N-O 3.49Å; Q58-I112 PolarHBondContact O-N 2.89Å; Q58-Y114 HydrophobicContact CB-CD2 4.11Å; Q58-Y114 HydrophobicContact CB-CE2 3.8Å; Q58-Y114 PolarHBondContact OE1-OH 2.8Å
59	R	92.4	Very high	95.3	Very high	38 Å²	38	62.7 Å²	62.7	14%	0.143	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.6	169.5	-72.4	-171.7	-98.3	176.3	7.3	109	E61 Q62 G63 E65 K82 A111	R59-E61 PolarHBondContact O-N 3.02Å; R59-Q62 HydrophobicContact CB-CB 3.92Å; R59-Q62 HydrophobicContact CB-CG 4.29Å; R59-Q62 VanDerWaalsContact NE-OE1 3.12Å; R59-Q62 PolarHBondContact O-N 2.78Å; R59-G63 PolarHBondContact N-O 2.81Å; R59-G63 VanDerWaalsContact N-O 3.16Å; R59-G63 PolarHBondContact O-N 2.8Å; R59-E65 IonicContact CZ-OE1 2.57Å; R59-E65 IonicContact NE-OE1 3.22Å; R59-E65 PolarHBondContact NE-OE1 2.95Å; R59-E65 IonicContact NH2-OE1 3.6Å; R59-E65 PolarHBondContact NH2-OE1 2.96Å; R59-E65 IonicContact NH2-OE2 2.82Å; R59-K82 VanDerWaalsContact NH2-NZ 3.14Å; R59-A111 HydrophobicContact CG-CB 3.96Å
60	P	85.4	Confident	95.4	Very high	123 Å²	123	58.3 Å²	58.3	80%	0.799	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-26.1	-174.8	-30.5	35.4	0	0	0	115.3
61	E	87.9	Confident	95.5	Very high	189 Å²	189	52.9 Å²	52.9	88%	0.883	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	-6.6	-177.6	-61.9	179.5	175	0	0	114.8	R59	R59-E61 PolarHBondContact O-N 3.02Å
62	Q	86.9	Confident	95.6	Very high	121 Å²	121	52.3 Å²	52.3	57%	0.565	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	0.6	-173	-52.8	-175.6	0.8	0	0	113.8	R59	R59-Q62 HydrophobicContact CB-CB 3.92Å; R59-Q62 HydrophobicContact CB-CG 4.29Å; R59-Q62 VanDerWaalsContact NE-OE1 3.12Å; R59-Q62 PolarHBondContact O-N 2.78Å
63	G	91.9	Very high	95.6	Very high	35 Å²	35	50.2 Å²	50.2	36%	0.361	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	82.2	-156.3	177.3	0	0	0	0	0	113.8	Q58 R59	Q58-G63 WeakPolarHBondContact CA-O 3.44Å; R59-G63 PolarHBondContact N-O 2.81Å; R59-G63 VanDerWaalsContact N-O 3.16Å; R59-G63 PolarHBondContact O-N 2.8Å
64	L	95.3	Very high	95.5	Very high	117 Å²	117	54.5 Å²	54.5	61%	0.613	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.6	-175.6	-61.7	176.1	0	0	0	111	V56 K57 Q58	V56-L64 HydrophobicContact CG1-CB 3.85Å; V56-L64 HydrophobicContact CG1-CD2 3.9Å; V56-L64 HydrophobicContact CG1-CG 4.36Å; K57-L64 CarbonylContact O-C 3.59Å; Q58-L64 HydrophobicContact CB-CD2 3.63Å; Q58-L64 HydrophobicContact CG-CD2 3.65Å
65	E	96.4	Very high	95.5	Very high	41 Å²	41	54.2 Å²	54.2	19%	0.192	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.9	173.7	-74.1	174.3	-107.2	0	0	109.7	V56 K57 R59 I67 K82 F83	V56-E65 CarbonylContact C-O 3.56Å; V56-E65 WeakPolarHBondContact CA-O 3.36Å; K57-E65 HydrophobicContact CB-CB 4.31Å; K57-E65 PolarHBondContact N-O 2.89Å; K57-E65 PolarHBondContact O-N 2.74Å; R59-E65 IonicContact CZ-OE1 2.57Å; R59-E65 IonicContact NE-OE1 3.22Å; R59-E65 PolarHBondContact NE-OE1 2.95Å; R59-E65 IonicContact NH2-OE1 3.6Å; R59-E65 PolarHBondContact NH2-OE1 2.96Å; R59-E65 IonicContact NH2-OE2 2.82Å; E65-I67 PolarHBondContact O-N 2.84Å; E65-K82 IonicContact OE1-NZ 2.64Å; E65-K82 IonicContact OE2-NZ 3.55Å; E65-K82 PolarHBondContact OE2-NZ 3.43Å; E65-F83 HydrophobicContact CB-CE2 4.44Å
66	W	97.6	Very high	95.5	Very high	98 Å²	98	59.3 Å²	59.3	37%	0.371	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	128	175	-178.2	69.5	0	0	0	110.6	H54 G68 R69 K78 A80	H54-W66 AromaticContact CG-NE1 3.93Å; H54-W66 AromaticContact ND1-CD1 3.91Å; H54-W66 AromaticContact ND1-CE2 3.95Å; H54-W66 AromaticContact ND1-NE1 3.11Å; H54-W66 PolarHBondContact ND1-NE1 2.85Å; H54-W66 VanDerWaalsContact ND1-NE1 3.11Å; W66-G68 VanDerWaalsContact CE2-C 3.43Å; W66-G68 VanDerWaalsContact CE2-CA 3.49Å; W66-G68 PolarHBondContact NE1-O 3.02Å; W66-R69 HydrophobicContact CZ2-CB 3.95Å; W66-R69 HydrophobicContact CZ2-CG 3.96Å; W66-K78 HydrophobicContact CH2-CB 4.15Å; W66-A80 HydrophobicContact CE3-CB 3.88Å; W66-A80 HydrophobicContact CZ3-CB 4.18Å; W66-A80 WeakPolarHBondContact O-CB 3.36Å
67	I	98.2	Very high	95.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-48.9	-178.9	-60.5	175.3	0	0	0	109.9	W55 K57 E65 Y79 A80 F83 A87 L100 Y113	W55-I67 HydrophobicContact CB-CB 4.16Å; W55-I67 HydrophobicContact CB-CD1 4.29Å; W55-I67 WeakPolarHBondContact O-CB 3.22Å; W55-I67 PolarHBondContact O-N 2.73Å; K57-I67 HydrophobicContact CB-CD1 4.01Å; K57-I67 HydrophobicContact CB-CG1 4.12Å; E65-I67 PolarHBondContact O-N 2.84Å; I67-Y79 WeakPolarHBondContact O-CA 3.35Å; I67-A80 PolarHBondContact O-N 2.91Å; I67-F83 HydrophobicContact CB-CD1 4.47Å; I67-F83 HydrophobicContact CB-CD2 4.29Å; I67-F83 HydrophobicContact CB-CG 4.24Å; I67-F83 HydrophobicContact CD1-CE1 4.43Å; I67-F83 HydrophobicContact CG1-CD1 4.16Å; I67-F83 HydrophobicContact CG1-CD2 4.26Å; I67-F83 HydrophobicContact CG1-CE1 3.95Å; I67-F83 HydrophobicContact CG1-CE2 4.04Å; I67-F83 HydrophobicContact CG1-CG 4.31Å; I67-F83 HydrophobicContact CG1-CZ 3.88Å; I67-F83 HydrophobicContact CG2-CB 3.88Å; I67-F83 HydrophobicContact CG2-CD1 3.94Å; I67-F83 HydrophobicContact CG2-CD2 4.33Å; I67-F83 HydrophobicContact CG2-CG 3.79Å; I67-A87 HydrophobicContact CG2-CB 3.72Å; I67-L100 HydrophobicContact CD1-CD2 3.66Å; I67-L100 HydrophobicContact CG2-CD1 4.12Å; I67-Y113 HydrophobicContact CD1-CD1 3.54Å; I67-Y113 HydrophobicContact CD1-CE1 3.68Å
68	G	98.5	Very high	95.6	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.7	-179.9	-172.7	0	0	0	0	0	112.4	H54 W55 W66 K78 I89	H54-G68 WeakPolarHBondContact CA-O 3.48Å; W55-G68 PolarHBondContact N-O 2.82Å; W66-G68 VanDerWaalsContact CE2-C 3.43Å; W66-G68 VanDerWaalsContact CE2-CA 3.49Å; W66-G68 PolarHBondContact NE1-O 3.02Å; G68-K78 CarbonylContact C-O 3.55Å; G68-K78 WeakPolarHBondContact CA-O 3.47Å; G68-I89 VanDerWaalsContact C-CD1 3.49Å
69	R	98.5	Very high	95.7	Very high	59 Å²	59	66.4 Å²	66.4	22%	0.223	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	157.8	172.5	72.9	-179.3	-169.6	146.2	9.2	111.1	Y52 M53 W66 T77 K78	Y52-R69 VanDerWaalsContact CE1-CZ 3.45Å; Y52-R69 VanDerWaalsContact CE1-NH1 3.25Å; M53-R69 CarbonylContact O-C 3.6Å; M53-R69 WeakPolarHBondContact O-CA 3.4Å; M53-R69 WeakPolarHBondContact O-CB 3.13Å; W66-R69 HydrophobicContact CZ2-CB 3.95Å; W66-R69 HydrophobicContact CZ2-CG 3.96Å; R69-T77 CarbonylContact O-C 3.59Å; R69-T77 VanDerWaalsContact O-CA 3.29Å; R69-T77 WeakPolarHBondContact O-CA 3.28Å; R69-K78 HydrophobicContact CG-CB 4.26Å; R69-K78 PolarHBondContact N-O 2.86Å; R69-K78 PolarHBondContact O-N 2.83Å
70	I	98.7	Very high	96	Very high	6 Å²	6	65.3 Å²	65.3	3%	0.031	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.1	166.7	-175.1	164.6	0	0	0	110	Y52 M53 P72 N76 T77 I89 A91	Y52-I70 WeakPolarHBondContact CA-O 3.46Å; M53-I70 HydrophobicContact CB-CG2 3.88Å; M53-I70 PolarHBondContact N-O 3.24Å; M53-I70 PolarHBondContact O-N 3.1Å; I70-P72 HydrophobicContact CG2-CG 4.34Å; I70-P72 WeakPolarHBondContact O-CD 3.43Å; I70-N76 CarbonylContact C-O 3.54Å; I70-N76 WeakPolarHBondContact CA-O 3.35Å; I70-T77 HydrophobicContact CB-CG2 4.09Å; I70-T77 HydrophobicContact CD1-CG2 4.11Å; I70-T77 HydrophobicContact CG1-CG2 3.99Å; I70-I89 HydrophobicContact CB-CG2 3.65Å; I70-I89 HydrophobicContact CG2-CG2 3.5Å; I70-A91 HydrophobicContact CD1-CB 3.99Å; I70-A91 HydrophobicContact CG2-CB 4.3Å
71	D	98.3	Very high	96.5	Very high	18 Å²	18	64.7 Å²	64.7	10%	0.096	35%	0.35	C	S	.	.			trans	-93.3	103.6	160.7	-176.4	-9.5	0	0	0	108.9	Y52 A73 N74 G75 N76	Y52-D71 HydrophobicContact CD1-CB 3.82Å; Y52-D71 HydrophobicContact CE1-CB 3.53Å; D71-A73 PolarHBondContact O-N 3.35Å; D71-A73 WeakPolarHBondContact OD1-CB 3.33Å; D71-A73 PolarHBondContact OD1-N 2.79Å; D71-N74 WeakPolarHBondContact CB-OD1 3.47Å; D71-N74 PolarHBondContact O-N 3.3Å; D71-N74 PolarHBondContact O-OD1 3.44Å; D71-N74 PolarHBondContact OD2-ND2 3.01Å; D71-N74 PolarHBondContact OD2-OD1 2.99Å; D71-G75 VanDerWaalsContact O-CA 3.29Å; D71-G75 WeakPolarHBondContact O-CA 3.35Å; D71-G75 PolarHBondContact O-N 3.23Å; D71-N76 HydrophobicContact CB-CB 4.34Å; D71-N76 PolarHBondContact N-O 2.81Å
72	P	98.1	Very high	96.9	Very high	13 Å²	13	61 Å²	61	8%	0.084	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-10.6	-178.4	-19.3	35.5	0	0	0	113.2	I48 T51 M53 I70 A91 T93	I48-P72 HydrophobicContact CG1-CG 4.23Å; I48-P72 HydrophobicContact CG2-CB 4.32Å; I48-P72 VanDerWaalsContact O-CG 3.3Å; I48-P72 WeakPolarHBondContact O-CG 2.98Å; T51-P72 WeakPolarHBondContact O-CD 3.4Å; T51-P72 WeakPolarHBondContact O-CG 3.37Å; M53-P72 HydrophobicContact CG-CG 4.1Å; I70-P72 HydrophobicContact CG2-CG 4.34Å; I70-P72 WeakPolarHBondContact O-CD 3.43Å; P72-A91 HydrophobicContact CB-CB 3.79Å; P72-A91 HydrophobicContact CG-CB 3.92Å; P72-T93 HydrophobicContact CB-CG2 3.99Å; P72-T93 WeakPolarHBondContact O-CG2 3.11Å
73	A	97.6	Very high	97.3	Very high	54 Å²	54	55.4 Å²	55.4	45%	0.446	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-36.6	175.6	0	0	0	0	0	112.8	K49 D71	K49-A73 HydrophobicContact CG-CB 4.28Å; K49-A73 WeakPolarHBondContact O-CB 3.4Å; K49-A73 PolarHBondContact O-N 2.95Å; D71-A73 PolarHBondContact O-N 3.35Å; D71-A73 WeakPolarHBondContact OD1-CB 3.33Å; D71-A73 PolarHBondContact OD1-N 2.79Å
74	N	97.3	Very high	97.5	Very high	90 Å²	90	59.8 Å²	59.8	48%	0.481	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	-3.2	-173.4	57.8	33.7	0	0	0	113.7	D71 N76	D71-N74 WeakPolarHBondContact CB-OD1 3.47Å; D71-N74 PolarHBondContact O-N 3.3Å; D71-N74 PolarHBondContact O-OD1 3.44Å; D71-N74 PolarHBondContact OD2-ND2 3.01Å; D71-N74 PolarHBondContact OD2-OD1 2.99Å; N74-N76 VanDerWaalsContact C-N 3.31Å; N74-N76 PolarHBondContact ND2-ND2 2.8Å; N74-N76 PolarHBondContact O-N 3.1Å; N74-N76 WeakPolarHBondContact OD1-CB 2.98Å; N74-N76 PolarHBondContact OD1-N 3.07Å; N74-N76 PolarHBondContact OD1-ND2 2.9Å
75	G	97.4	Very high	97.5	Very high	44 Å²	44	57.9 Å²	57.9	45%	0.454	32%	0.324	S	S	.	.			trans	79.3	5.5	-179.4	0	0	0	0	0	114.8	D71 T77	D71-G75 VanDerWaalsContact O-CA 3.29Å; D71-G75 WeakPolarHBondContact O-CA 3.35Å; D71-G75 PolarHBondContact O-N 3.23Å; G75-T77 PolarHBondContact O-N 2.94Å
76	N	98	Very high	97.5	Very high	107 Å²	107	58.3 Å²	58.3	57%	0.572	33%	0.325	S	S	*	.			trans	-68.5	127.2	-177.5	-74.4	-37.1	0	0	0	111.4	I70 D71 N74	I70-N76 CarbonylContact C-O 3.54Å; I70-N76 WeakPolarHBondContact CA-O 3.35Å; D71-N76 HydrophobicContact CB-CB 4.34Å; D71-N76 PolarHBondContact N-O 2.81Å; N74-N76 VanDerWaalsContact C-N 3.31Å; N74-N76 PolarHBondContact ND2-ND2 2.8Å; N74-N76 PolarHBondContact O-N 3.1Å; N74-N76 WeakPolarHBondContact OD1-CB 2.98Å; N74-N76 PolarHBondContact OD1-N 3.07Å; N74-N76 PolarHBondContact OD1-ND2 2.9Å
77	T	98.4	Very high	97.5	Very high	57 Å²	57	53.8 Å²	53.8	35%	0.35	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	146.5	179.3	55.5	0	0	0	0	112.3	R69 I70 G75 Y79 I89	R69-T77 CarbonylContact O-C 3.59Å; R69-T77 VanDerWaalsContact O-CA 3.29Å; R69-T77 WeakPolarHBondContact O-CA 3.28Å; I70-T77 HydrophobicContact CB-CG2 4.09Å; I70-T77 HydrophobicContact CD1-CG2 4.11Å; I70-T77 HydrophobicContact CG1-CG2 3.99Å; G75-T77 PolarHBondContact O-N 2.94Å; T77-Y79 HydrophobicContact CG2-CE2 4.44Å; T77-Y79 VanDerWaalsContact OG1-CE2 3.28Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.29Å; T77-I89 HydrophobicContact CG2-CB 4.5Å
78	K	98.2	Very high	97.5	Very high	130 Å²	130	57.1 Å²	57.1	57%	0.565	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.2	164.9	-67.4	-171	176.3	-176.6	0	109.1	W66 G68 R69	W66-K78 HydrophobicContact CH2-CB 4.15Å; G68-K78 CarbonylContact C-O 3.55Å; G68-K78 WeakPolarHBondContact CA-O 3.47Å; R69-K78 HydrophobicContact CG-CB 4.26Å; R69-K78 PolarHBondContact N-O 2.86Å; R69-K78 PolarHBondContact O-N 2.83Å
79	Y	98.6	Very high	97.5	Very high	54 Å²	54	57.3 Å²	57.3	21%	0.212	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.7	-177.8	-61.6	-84.9	0	0	0	110.8	I67 T77 A87 I89	I67-Y79 WeakPolarHBondContact O-CA 3.35Å; T77-Y79 HydrophobicContact CG2-CE2 4.44Å; T77-Y79 VanDerWaalsContact OG1-CE2 3.28Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.29Å; Y79-A87 HydrophobicContact CD1-CB 4.29Å; Y79-A87 HydrophobicContact CE1-CB 4.22Å; Y79-A87 WeakPolarHBondContact CE1-O 3Å; Y79-I89 HydrophobicContact CD1-CD1 4.1Å; Y79-I89 HydrophobicContact CE1-CB 4.27Å; Y79-I89 HydrophobicContact CE1-CD1 3.69Å; Y79-I89 HydrophobicContact CE1-CG1 3.79Å; Y79-I89 PolarHBondContact OH-N 2.88Å
80	A	98	Very high	97.5	Very high	16 Å²	16	57.4 Å²	57.4	13%	0.132	34%	0.338	C	S	.	.			trans	-65.4	142.5	161.8	0	0	0	0	0	109.6	W66 I67 K82 F83 Q84	W66-A80 HydrophobicContact CE3-CB 3.88Å; W66-A80 HydrophobicContact CZ3-CB 4.18Å; W66-A80 WeakPolarHBondContact O-CB 3.36Å; I67-A80 PolarHBondContact O-N 2.91Å; A80-K82 PolarHBondContact O-N 2.85Å; A80-K82 VanDerWaalsContact O-N 3.1Å; A80-F83 HydrophobicContact CB-CD2 4.09Å; A80-F83 PolarHBondContact O-N 2.83Å; A80-Q84 PolarHBondContact O-N 3.1Å
81	P	97.6	Very high	97.5	Very high	110 Å²	110	58.7 Å²	58.7	71%	0.714	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-50.7	-39.9	-176.1	-30.4	35.8	0	0	0	114.2	F83 Q84	P81-F83 PolarHBondContact O-N 2.91Å; P81-Q84 PolarHBondContact O-N 2.86Å
82	K	94.8	Very high	97.4	Very high	110 Å²	110	60.7 Å²	60.7	48%	0.478	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-61.6	-26.5	179.3	-177.6	176.4	176.5	-176.4	0	114.3	R59 E65 A80	R59-K82 VanDerWaalsContact NH2-NZ 3.14Å; E65-K82 IonicContact OE1-NZ 2.64Å; E65-K82 IonicContact OE2-NZ 3.55Å; E65-K82 PolarHBondContact OE2-NZ 3.43Å; A80-K82 PolarHBondContact O-N 2.85Å; A80-K82 VanDerWaalsContact O-N 3.1Å
83	F	96.8	Very high	97.4	Very high	5 Å²	5	63 Å²	63	2%	0.022	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-105.3	-0.7	-176	-64.8	-84.8	0	0	0	113	K57 E65 I67 A80 P81 G85 K86 A87	K57-F83 HydrophobicContact CB-CZ 4.29Å; K57-F83 HydrophobicContact CD-CE1 4.1Å; K57-F83 HydrophobicContact CD-CZ 3.87Å; E65-F83 HydrophobicContact CB-CE2 4.44Å; I67-F83 HydrophobicContact CB-CD1 4.47Å; I67-F83 HydrophobicContact CB-CD2 4.29Å; I67-F83 HydrophobicContact CB-CG 4.24Å; I67-F83 HydrophobicContact CD1-CE1 4.43Å; I67-F83 HydrophobicContact CG1-CD1 4.16Å; I67-F83 HydrophobicContact CG1-CD2 4.26Å; I67-F83 HydrophobicContact CG1-CE1 3.95Å; I67-F83 HydrophobicContact CG1-CE2 4.04Å; I67-F83 HydrophobicContact CG1-CG 4.31Å; I67-F83 HydrophobicContact CG1-CZ 3.88Å; I67-F83 HydrophobicContact CG2-CB 3.88Å; I67-F83 HydrophobicContact CG2-CD1 3.94Å; I67-F83 HydrophobicContact CG2-CD2 4.33Å; I67-F83 HydrophobicContact CG2-CG 3.79Å; A80-F83 HydrophobicContact CB-CD2 4.09Å; A80-F83 PolarHBondContact O-N 2.83Å; P81-F83 PolarHBondContact O-N 2.91Å; F83-G85 PolarHBondContact O-N 2.02Å; F83-K86 PolarHBondContact O-N 3.04Å; F83-A87 HydrophobicContact CB-CB 4.03Å; F83-A87 PolarHBondContact O-N 3.01Å
84	Q	96	Very high	97.4	Very high	126 Å²	126	65.6 Å²	65.6	59%	0.589	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	134.1	173.6	-71.5	-176.7	8.9	0	0	110.5	A80 P81 K86	A80-Q84 PolarHBondContact O-N 3.1Å; P81-Q84 PolarHBondContact O-N 2.86Å; Q84-K86 PolarHBondContact O-N 2.91Å
85	G	94.5	Very high	97.4	Very high	77 Å²	77	63.7 Å²	63.7	79%	0.794	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	-24.1	-177.1	0	0	0	0	0	115	F83	F83-G85 PolarHBondContact O-N 2.02Å
86	K	95.8	Very high	97.3	Very high	50 Å²	50	63 Å²	63	22%	0.217	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-40.9	177.1	-172.1	169.3	-166.9	171.2	0	113.2	F83 Q84 L102 S103 D109	F83-K86 PolarHBondContact O-N 3.04Å; Q84-K86 PolarHBondContact O-N 2.91Å; K86-L102 WeakPolarHBondContact O-CA 3.41Å; K86-S103 PolarHBondContact O-N 3.39Å; K86-S103 VanDerWaalsContact O-N 3.1Å; K86-S103 PolarHBondContact O-OG 3.37Å; K86-D109 WeakPolarHBondContact CE-OD1 3.46Å; K86-D109 WeakPolarHBondContact CE-OD2 3.3Å; K86-D109 IonicContact NZ-OD1 2.73Å; K86-D109 PolarHBondContact NZ-OD1 2.89Å; K86-D109 IonicContact NZ-OD2 3.01Å; K86-D109 PolarHBondContact NZ-OD2 3.18Å
87	A	98	Very high	97.4	Very high	4 Å²	4	58.2 Å²	58.2	3%	0.033	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	139.3	179.2	0	0	0	0	0	111	I67 Y79 F83 L100 Q101 L102	I67-A87 HydrophobicContact CG2-CB 3.72Å; Y79-A87 HydrophobicContact CD1-CB 4.29Å; Y79-A87 HydrophobicContact CE1-CB 4.22Å; Y79-A87 WeakPolarHBondContact CE1-O 3Å; F83-A87 HydrophobicContact CB-CB 4.03Å; F83-A87 PolarHBondContact O-N 3.01Å; A87-L100 HydrophobicContact CB-CD1 3.9Å; A87-Q101 CarbonylContact C-O 3.53Å; A87-Q101 WeakPolarHBondContact CA-O 3.44Å; A87-L102 HydrophobicContact CB-CD2 3.88Å
88	T	98.3	Very high	97.4	Very high	69 Å²	69	55.5 Å²	55.5	42%	0.423	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	117.3	167.5	-62	0	0	0	0	108.2	T90 Q101	T88-T90 HydrophobicContact CG2-CG2 4.21Å; T88-Q101 PolarHBondContact N-O 2.84Å; T88-Q101 PolarHBondContact O-N 2.63Å
89	I	98.5	Very high	97.4	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.4	178.5	-59.3	164.3	0	0	0	108.3	W55 G68 I70 T77 Y79 Y99 L100	W55-I89 HydrophobicContact CB-CD1 4.49Å; G68-I89 VanDerWaalsContact C-CD1 3.49Å; I70-I89 HydrophobicContact CB-CG2 3.65Å; I70-I89 HydrophobicContact CG2-CG2 3.5Å; T77-I89 HydrophobicContact CG2-CB 4.5Å; Y79-I89 HydrophobicContact CD1-CD1 4.1Å; Y79-I89 HydrophobicContact CE1-CB 4.27Å; Y79-I89 HydrophobicContact CE1-CD1 3.69Å; Y79-I89 HydrophobicContact CE1-CG1 3.79Å; Y79-I89 PolarHBondContact OH-N 2.88Å; I89-Y99 WeakPolarHBondContact CA-O 3.29Å; I89-L100 HydrophobicContact CG1-CD1 3.89Å
90	T	98.2	Very high	97.4	Very high	62 Å²	62	49.1 Å²	49.1	38%	0.38	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	165.9	176.5	54.8	0	0	0	0	110.2	T88 Y99	T88-T90 HydrophobicContact CG2-CG2 4.21Å; T90-Y99 PolarHBondContact N-O 3.32Å; T90-Y99 PolarHBondContact O-N 2.8Å
91	A	98.3	Very high	97.4	Very high	32 Å²	32	52.5 Å²	52.5	26%	0.264	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	139.8	175.2	0	0	0	0	0	110.3	I70 P72 T97	I70-A91 HydrophobicContact CD1-CB 3.99Å; I70-A91 HydrophobicContact CG2-CB 4.3Å; P72-A91 HydrophobicContact CB-CB 3.79Å; P72-A91 HydrophobicContact CG-CB 3.92Å; A91-T97 CarbonylContact C-O 3.5Å; A91-T97 WeakPolarHBondContact CA-O 3.45Å
92	D	97.8	Very high	97.4	Very high	60 Å²	60	47.2 Å²	47.2	32%	0.321	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	111.5	169.8	-176.2	-12.7	0	0	0	108.4	S94 S95 N96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.3Å; D92-S94 WeakPolarHBondContact OD1-CA 3.44Å; D92-S94 WeakPolarHBondContact OD1-CB 3.47Å; D92-S94 PolarHBondContact OD1-N 2.82Å; D92-S94 PolarHBondContact OD1-OG 2.83Å; D92-S94 PolarHBondContact OD2-OG 2.8Å; D92-S95 WeakPolarHBondContact CB-OG 3.44Å; D92-S95 PolarHBondContact OD1-N 3.42Å; D92-N96 WeakPolarHBondContact O-CA 3.39Å; D92-N96 PolarHBondContact O-N 2.94Å; D92-T97 PolarHBondContact N-O 3.02Å; D92-T97 PolarHBondContact O-N 3.11Å; D92-Y99 HydrophobicContact CB-CE2 4.12Å
93	T	97.3	Very high	97.4	Very high	63 Å²	63	43.8 Å²	43.8	39%	0.387	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-18.1	-178.7	56.8	0	0	0	0	112.8	I48 K49 P72	I48-T93 HydrophobicContact CG2-CG2 4.31Å; K49-T93 HydrophobicContact CB-CG2 3.92Å; K49-T93 HydrophobicContact CG-CG2 4.11Å; P72-T93 HydrophobicContact CB-CG2 3.99Å; P72-T93 WeakPolarHBondContact O-CG2 3.11Å
94	S	96.9	Very high	97.3	Very high	108 Å²	108	47.4 Å²	47.4	76%	0.755	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-39.7	177.3	73.6	0	0	0	0	111.6	D92	D92-S94 VanDerWaalsContact C-N 3.3Å; D92-S94 WeakPolarHBondContact OD1-CA 3.44Å; D92-S94 WeakPolarHBondContact OD1-CB 3.47Å; D92-S94 PolarHBondContact OD1-N 2.82Å; D92-S94 PolarHBondContact OD1-OG 2.83Å; D92-S94 PolarHBondContact OD2-OG 2.8Å
95	S	97.3	Very high	97.3	Very high	49 Å²	49	42.1 Å²	42.1	34%	0.343	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-3.2	175.6	75.4	0	0	0	0	113.5	D92 T97	D92-S95 WeakPolarHBondContact CB-OG 3.44Å; D92-S95 PolarHBondContact OD1-N 3.42Å; S95-T97 VanDerWaalsContact C-N 3.29Å; S95-T97 PolarHBondContact O-N 2.74Å; S95-T97 PolarHBondContact O-OG1 2.81Å; S95-T97 VanDerWaalsContact O-OG1 3.07Å; S95-T97 VanDerWaalsContact OG-CB 3.29Å; S95-T97 WeakPolarHBondContact OG-CB 3.45Å; S95-T97 PolarHBondContact OG-OG1 3.4Å
96	N	97.1	Very high	97.3	Very high	29 Å²	29	41.5 Å²	41.5	16%	0.155	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	39.1	-176.2	-145.4	41	0	0	0	112.7	A43 F46 I48 D92	A43-N96 VanDerWaalsContact C-ND2 3.34Å; A43-N96 WeakPolarHBondContact CB-ND2 3.34Å; A43-N96 PolarHBondContact N-O 2.86Å; A43-N96 PolarHBondContact O-ND2 3.05Å; F46-N96 PolarHBondContact O-ND2 3.03Å; I48-N96 WeakPolarHBondContact CB-OD1 3.35Å; I48-N96 VanDerWaalsContact CG2-OD1 3.27Å; I48-N96 WeakPolarHBondContact CG2-OD1 3.45Å; I48-N96 PolarHBondContact N-OD1 2.92Å; D92-N96 WeakPolarHBondContact O-CA 3.39Å; D92-N96 PolarHBondContact O-N 2.94Å
97	T	98.3	Very high	97.1	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.043	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.4	-171.1	-45.8	0	0	0	0	111.8	C41 A91 D92 S95 Y99	C41-T97 CarbonylContact O-C 3.58Å; C41-T97 WeakPolarHBondContact O-CA 3.4Å; A91-T97 CarbonylContact C-O 3.5Å; A91-T97 WeakPolarHBondContact CA-O 3.45Å; D92-T97 PolarHBondContact N-O 3.02Å; D92-T97 PolarHBondContact O-N 3.11Å; S95-T97 VanDerWaalsContact C-N 3.29Å; S95-T97 PolarHBondContact O-N 2.74Å; S95-T97 PolarHBondContact O-OG1 2.81Å; S95-T97 VanDerWaalsContact O-OG1 3.07Å; S95-T97 VanDerWaalsContact OG-CB 3.29Å; S95-T97 WeakPolarHBondContact OG-CB 3.45Å; S95-T97 PolarHBondContact OG-OG1 3.4Å; T97-Y99 HydrophobicContact CG2-CD1 4.28Å; T97-Y99 HydrophobicContact CG2-CE1 3.65Å; T97-Y99 HydrophobicContact CG2-CE2 4Å; T97-Y99 VanDerWaalsContact CG2-CZ 3.48Å
98	A	98.4	Very high	96.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	149.6	166	0	0	0	0	0	110.5	S40 C41 I48 M53 W55	S40-A98 CarbonylContact C-O 3.56Å; S40-A98 WeakPolarHBondContact CA-O 3.49Å; C41-A98 PolarHBondContact N-O 2.91Å; C41-A98 PolarHBondContact O-N 2.74Å; I48-A98 HydrophobicContact CD1-CB 3.94Å; M53-A98 HydrophobicContact CB-CB 4.04Å; M53-A98 HydrophobicContact CG-CB 4.13Å; W55-A98 HydrophobicContact CZ2-CB 4.36Å
99	Y	98.4	Very high	96.5	Very high	50 Å²	50	46.7 Å²	46.7	20%	0.196	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144	177.7	-55.1	-83.2	0	0	0	111.4	K38 L39 I89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.47Å; K38-Y99 VanDerWaalsContact CE-CD1 3.43Å; K38-Y99 HydrophobicContact CG-CD1 4.44Å; L39-Y99 WeakPolarHBondContact O-CA 3.29Å; I89-Y99 WeakPolarHBondContact CA-O 3.29Å; T90-Y99 PolarHBondContact N-O 3.32Å; T90-Y99 PolarHBondContact O-N 2.8Å; D92-Y99 HydrophobicContact CB-CE2 4.12Å; T97-Y99 HydrophobicContact CG2-CD1 4.28Å; T97-Y99 HydrophobicContact CG2-CE1 3.65Å; T97-Y99 HydrophobicContact CG2-CE2 4Å; T97-Y99 VanDerWaalsContact CG2-CZ 3.48Å
100	L	98.5	Very high	96.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	115.9	168.2	169.6	65.9	0	0	0	108.3	L39 W55 I67 A87 I89 L102 Y113	L39-L100 HydrophobicContact CB-CB 4.45Å; L39-L100 HydrophobicContact CD1-CD2 4.27Å; L39-L100 PolarHBondContact N-O 3.29Å; L39-L100 PolarHBondContact O-N 2.96Å; W55-L100 HydrophobicContact CB-CD2 4.11Å; W55-L100 HydrophobicContact CD2-CB 3.49Å; W55-L100 VanDerWaalsContact CD2-CB 3.49Å; W55-L100 HydrophobicContact CD2-CD2 3.9Å; W55-L100 HydrophobicContact CD2-CG 4.26Å; 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 3.96Å; W55-L100 HydrophobicContact CG-CD2 4.1Å; W55-L100 HydrophobicContact CG-CG 4.44Å; W55-L100 HydrophobicContact CH2-CB 4.03Å; W55-L100 HydrophobicContact CZ2-CB 3.79Å; W55-L100 HydrophobicContact CZ3-CB 4.02Å; W55-L100 HydrophobicContact CZ3-CD2 4.36Å; I67-L100 HydrophobicContact CD1-CD2 3.66Å; I67-L100 HydrophobicContact CG2-CD1 4.12Å; A87-L100 HydrophobicContact CB-CD1 3.9Å; I89-L100 HydrophobicContact CG1-CD1 3.89Å; L100-L102 HydrophobicContact CD1-CD2 4.2Å; L100-L102 HydrophobicContact CD1-CG 4.38Å; L100-L102 HydrophobicContact CD2-CD1 4.35Å; L100-L102 HydrophobicContact CD2-CG 4.41Å; L100-L102 HydrophobicContact CG-CD2 4.49Å; L100-L102 HydrophobicContact CG-CG 4.19Å; L100-Y113 HydrophobicContact CD2-CD1 3.88Å
101	Q	97.9	Very high	96.1	Very high	87 Å²	87	50.2 Å²	50.2	41%	0.407	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.9	170.4	-175.3	170.2	-4.3	0	0	109.6	V37 A87 T88	V37-Q101 VanDerWaalsContact O-CA 3.3Å; V37-Q101 WeakPolarHBondContact O-CA 3.1Å; A87-Q101 CarbonylContact C-O 3.53Å; A87-Q101 WeakPolarHBondContact CA-O 3.44Å; T88-Q101 PolarHBondContact N-O 2.84Å; T88-Q101 PolarHBondContact O-N 2.63Å
102	L	97.5	Very high	95.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.5	174.2	-64.3	164.8	0	0	0	108.5	S36 V37 K86 A87 L100 L105 Y113	S36-L102 CarbonylContact C-O 3.55Å; S36-L102 WeakPolarHBondContact CA-O 3.45Å; S36-L102 WeakPolarHBondContact CB-O 3.34Å; V37-L102 HydrophobicContact CG1-CB 4.1Å; V37-L102 HydrophobicContact CG1-CD1 4.35Å; V37-L102 PolarHBondContact N-O 2.57Å; V37-L102 PolarHBondContact O-N 2.82Å; K86-L102 WeakPolarHBondContact O-CA 3.41Å; A87-L102 HydrophobicContact CB-CD2 3.88Å; L100-L102 HydrophobicContact CD1-CD2 4.2Å; L100-L102 HydrophobicContact CD1-CG 4.38Å; L100-L102 HydrophobicContact CD2-CD1 4.35Å; L100-L102 HydrophobicContact CD2-CG 4.41Å; L100-L102 HydrophobicContact CG-CD2 4.49Å; L100-L102 HydrophobicContact CG-CG 4.19Å; L102-L105 HydrophobicContact CB-CD2 3.73Å; L102-L105 HydrophobicContact CD1-CD2 4.36Å; L102-Y113 HydrophobicContact CD1-CD1 4.05Å; L102-Y113 HydrophobicContact CD1-CE1 3.4Å; L102-Y113 VanDerWaalsContact CD1-CE1 3.4Å; L102-Y113 HydrophobicContact CD1-CE2 4.18Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.47Å
103	S	95.5	Very high	95.9	Very high	38 Å²	38	51.3 Å²	51.3	27%	0.266	30%	0.304	S	S	.	.			trans	-105.8	159.5	179	59.9	0	0	0	0	112.2	S36 K86 L105	S36-S103 WeakPolarHBondContact OG-CA 3.35Å; K86-S103 PolarHBondContact O-N 3.39Å; K86-S103 VanDerWaalsContact O-N 3.1Å; K86-S103 PolarHBondContact O-OG 3.37Å; S103-L105 VanDerWaalsContact C-N 3.35Å; S103-L105 PolarHBondContact O-N 3.46Å
104	S	95	Very high	95.8	Very high	81 Å²	81	52.6 Å²	52.6	57%	0.566	30%	0.302	S	S	*	.	S	Bend	trans	50.7	52	173.2	-56.8	0	0	0	0	112.8	A35	A35-S104 PolarHBondContact O-N 2.82Å
105	L	95.4	Very high	95.9	Very high	14 Å²	14	48 Å²	48	7%	0.073	27%	0.27	C	S	.	.			trans	-63.1	138.1	-172.6	-68.7	167	0	0	0	112.1	V31 P33 G34 A35 V37 L102 S103 D109	V31-L105 HydrophobicContact CB-CD1 4.49Å; V31-L105 HydrophobicContact CG2-CD1 3.3Å; P33-L105 CarbonylContact C-O 3.55Å; P33-L105 WeakPolarHBondContact CA-O 3.35Å; G34-L105 PolarHBondContact N-O 3.47Å; A35-L105 WeakPolarHBondContact O-CG 3.36Å; A35-L105 PolarHBondContact O-N 2.77Å; V37-L105 HydrophobicContact CB-CD1 3.97Å; V37-L105 HydrophobicContact CG1-CD1 3.8Å; V37-L105 HydrophobicContact CG1-CD2 4.47Å; L102-L105 HydrophobicContact CB-CD2 3.73Å; L102-L105 HydrophobicContact CD1-CD2 4.36Å; S103-L105 VanDerWaalsContact C-N 3.35Å; S103-L105 PolarHBondContact O-N 3.46Å; L105-D109 WeakPolarHBondContact CA-OD2 3.27Å; L105-D109 HydrophobicContact CD2-CB 3.64Å
106	T	94.2	Very high	95.9	Very high	64 Å²	64	47.4 Å²	47.4	39%	0.393	27%	0.268	S	S	.	.			trans	-118	172.8	175	67.3	0	0	0	0	110.3	E108 D109	T106-E108 PolarHBondContact O-N 2.86Å; T106-E108 VanDerWaalsContact O-N 3.16Å; T106-E108 PolarHBondContact OG1-N 2.92Å; T106-D109 PolarHBondContact N-OD2 3.12Å; T106-D109 WeakPolarHBondContact O-CB 3.39Å; T106-D109 PolarHBondContact O-N 3.37Å; T106-D109 PolarHBondContact OG1-OD2 3.09Å
107	S	91.6	Very high	95.6	Very high	99 Å²	99	53.5 Å²	53.5	69%	0.692	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-55.4	-30.8	174.1	50.6	0	0	0	0	112.6	D109 T110	S107-D109 PolarHBondContact O-N 3.17Å; S107-T110 WeakPolarHBondContact O-CB 3.36Å; S107-T110 PolarHBondContact O-N 2.95Å; S107-T110 PolarHBondContact O-OG1 3.05Å
108	E	91.3	Very high	95.5	Very high	120 Å²	120	55.9 Å²	55.9	56%	0.561	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-66	-20	177	-61.6	-173.9	178.1	0	0	113.6	K57 T106 T110	K57-E108 WeakPolarHBondContact CE-O 2.99Å; K57-E108 PolarHBondContact NZ-O 3.4Å; T106-E108 PolarHBondContact O-N 2.86Å; T106-E108 VanDerWaalsContact O-N 3.16Å; T106-E108 PolarHBondContact OG1-N 2.92Å; E108-T110 VanDerWaalsContact C-N 3.28Å
109	D	93.6	Very high	95.3	Very high	13 Å²	13	58.8 Å²	58.8	7%	0.07	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-83.3	-3.2	176.7	-58.4	-50.7	0	0	0	113.7	K57 K86 L105 T106 S107 A111 Y113	K57-D109 IonicContact NZ-OD1 3.92Å; K86-D109 WeakPolarHBondContact CE-OD1 3.46Å; K86-D109 WeakPolarHBondContact CE-OD2 3.3Å; K86-D109 IonicContact NZ-OD1 2.73Å; K86-D109 PolarHBondContact NZ-OD1 2.89Å; K86-D109 IonicContact NZ-OD2 3.01Å; K86-D109 PolarHBondContact NZ-OD2 3.18Å; L105-D109 WeakPolarHBondContact CA-OD2 3.27Å; L105-D109 HydrophobicContact CD2-CB 3.64Å; T106-D109 PolarHBondContact N-OD2 3.12Å; T106-D109 WeakPolarHBondContact O-CB 3.39Å; T106-D109 PolarHBondContact O-N 3.37Å; T106-D109 PolarHBondContact OG1-OD2 3.09Å; S107-D109 PolarHBondContact O-N 3.17Å; D109-A111 PolarHBondContact O-N 2.78Å; D109-Y113 WeakPolarHBondContact O-CE2 3.4Å; D109-Y113 PolarHBondContact O-OH 3.06Å
110	T	93	Very high	95.2	Very high	113 Å²	113	59.3 Å²	59.3	69%	0.693	32%	0.324	S	S	*	.			trans	-67.1	103.3	173.5	-49	0	0	0	0	109.2	S107 E108	S107-T110 WeakPolarHBondContact O-CB 3.36Å; S107-T110 PolarHBondContact O-N 2.95Å; S107-T110 PolarHBondContact O-OG1 3.05Å; E108-T110 VanDerWaalsContact C-N 3.28Å
111	A	94.7	Very high	95	Very high	28 Å²	28	62.8 Å²	62.8	23%	0.231	34%	0.343	C	S	.	.	S	Bend	trans	-162.5	168.2	-173.5	0	0	0	0	0	110.4	K57 Q58 R59 D109 Y113	K57-A111 HydrophobicContact CD-CB 4.08Å; K57-A111 VanDerWaalsContact CE-CB 3.44Å; K57-A111 HydrophobicContact CG-CB 3.5Å; K57-A111 VanDerWaalsContact CG-CB 3.5Å; Q58-A111 WeakPolarHBondContact O-CB 3.18Å; R59-A111 HydrophobicContact CG-CB 3.96Å; D109-A111 PolarHBondContact O-N 2.78Å; A111-Y113 HydrophobicContact CB-CD2 4.5Å; A111-Y113 HydrophobicContact CB-CE2 3.94Å; A111-Y113 WeakPolarHBondContact O-CD2 3.15Å
112	I	95	Very high	94.8	Very high	86 Å²	86	61.3 Å²	61.3	44%	0.441	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	135.2	165.5	-51	173.3	0	0	0	107.7	K57 Q58 Y114	K57-I112 CarbonylContact C-O 3.59Å; Q58-I112 PolarHBondContact N-O 3.49Å; Q58-I112 PolarHBondContact O-N 2.89Å; I112-Y114 HydrophobicContact CB-CE2 3.83Å; I112-Y114 HydrophobicContact CG2-CD2 4.1Å; I112-Y114 HydrophobicContact CG2-CE1 4.02Å; I112-Y114 HydrophobicContact CG2-CE2 3.38Å; I112-Y114 WeakPolarHBondContact CG2-OH 3.17Å
113	Y	96.6	Very high	94.6	Very high	28 Å²	28	65.3 Å²	65.3	11%	0.11	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.8	178.8	-70.1	-93	0	0	0	108.6	Q25 L39 V56 K57 I67 L100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 3.28Å; L39-Y113 VanDerWaalsContact CD1-CB 3.43Å; L39-Y113 HydrophobicContact CD1-CD1 4.38Å; L39-Y113 HydrophobicContact CD1-CD2 4.11Å; L39-Y113 HydrophobicContact CD1-CG 3.73Å; V56-Y113 CarbonylContact O-C 3.55Å; V56-Y113 WeakPolarHBondContact O-CA 3.32Å; K57-Y113 HydrophobicContact CB-CD1 4.24Å; K57-Y113 HydrophobicContact CB-CE1 3.97Å; K57-Y113 HydrophobicContact CD-CE1 4.09Å; K57-Y113 HydrophobicContact CG-CD1 4.39Å; K57-Y113 HydrophobicContact CG-CE1 3.84Å; I67-Y113 HydrophobicContact CD1-CD1 3.54Å; I67-Y113 HydrophobicContact CD1-CE1 3.68Å; L100-Y113 HydrophobicContact CD2-CD1 3.88Å; L102-Y113 HydrophobicContact CD1-CD1 4.05Å; L102-Y113 HydrophobicContact CD1-CE1 3.4Å; L102-Y113 VanDerWaalsContact CD1-CE1 3.4Å; L102-Y113 HydrophobicContact CD1-CE2 4.18Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.47Å; D109-Y113 WeakPolarHBondContact O-CE2 3.4Å; D109-Y113 PolarHBondContact O-OH 3.06Å; A111-Y113 HydrophobicContact CB-CD2 4.5Å; A111-Y113 HydrophobicContact CB-CE2 3.94Å; A111-Y113 WeakPolarHBondContact O-CD2 3.15Å
114	Y	96.6	Very high	94.5	Very high	91 Å²	91	67.3 Å²	67.3	36%	0.357	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	138.8	179.6	-66.2	-79.3	0	0	0	110.5	W55 V56 Q58 I112	W55-Y114 WeakPolarHBondContact CA-O 3.09Å; V56-Y114 PolarHBondContact N-O 3.45Å; V56-Y114 PolarHBondContact O-N 3.24Å; Q58-Y114 HydrophobicContact CB-CD2 4.11Å; Q58-Y114 HydrophobicContact CB-CE2 3.8Å; Q58-Y114 PolarHBondContact OE1-OH 2.8Å; I112-Y114 HydrophobicContact CB-CE2 3.83Å; I112-Y114 HydrophobicContact CG2-CD2 4.1Å; I112-Y114 HydrophobicContact CG2-CE1 4.02Å; I112-Y114 HydrophobicContact CG2-CE2 3.38Å; I112-Y114 WeakPolarHBondContact CG2-OH 3.17Å
115	C	97.7	Very high	94.5	Very high	10 Å²	10	66.2 Å²	66.2	7%	0.068	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	146.9	159.8	61.6	0	0	0	0	109.7	Q25 C41 H54 W55	Q25-C115 WeakPolarHBondContact CG-SG 3.49Å; C41-C115 HydrophobicContact CB-CB 3.42Å; C41-C115 VanDerWaalsContact CB-CB 3.42Å; C41-C115 WeakPolarHBondContact CB-SG 3.46Å; C41-C115 WeakPolarHBondContact SG-CB 3.43Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 2.93Å; H54-C115 CarbonylContact O-C 3.6Å; H54-C115 WeakPolarHBondContact O-CA 3.42Å; W55-C115 HydrophobicContact CD2-CB 4.23Å; W55-C115 HydrophobicContact CE3-CB 4.05Å; W55-C115 HydrophobicContact CH2-CB 4.01Å; W55-C115 HydrophobicContact CZ2-CB 4.16Å; W55-C115 HydrophobicContact CZ3-CB 3.95Å
116	A	97	Very high	94.4	Very high	37 Å²	37	70.6 Å²	70.6	31%	0.306	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	150.5	176.6	0	0	0	0	0	110.2	H54	H54-A116 HydrophobicContact CB-CB 4.31Å; H54-A116 PolarHBondContact N-O 2.96Å; H54-A116 PolarHBondContact O-N 3.13Å
117	R	92.2	Very high	94.5	Very high	158 Å²	158	71.2 Å²	71.2	60%	0.596	38%	0.375	S	S	*	.			trans	-92.3	0	166.2	159.3	165.9	90.4	177.1	8.4	109.3	F46 T51	F46-R117 HydrophobicContact CZ-CB 4.47Å; T51-R117 HydrophobicContact CG2-CB 3.9Å; T51-R117 VanDerWaalsContact CG2-CD 3.42Å; T51-R117 HydrophobicContact CG2-CG 3.31Å

Retrieved 117 of 117 residues in 103.1 ms (Link to these results)

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