A0A075B5V5_MOUSE Loading...

Immunoglobulin heavy variable 1-39

AlphaFold DB , UniProt , Accession A0A075B5V5, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-39, Length 117 aa.

						>A0A075B5V5_MOUSE|A0A075B5V5|Ighv1-39
MGWSWIFLFLLSGTAGVHSEFQLQQSGPELVKPGASVKISCKASGYSFTDYNMNWVKQSNGKSLEWIGVINPNYGTTSYNQKFKGKATLTVDQSSSTAYMQLNSLTSEDSAVYYCAR
					

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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	47.1	Very low	57.1	Low	252 Å²	252	166.5 Å²	166.5	100%	1.241	82%	0.823	S	S	*	*				0	113.7	0	-87.1	160.4	50.4	0	0	108.1
2	G	54.5	Low	57.7	Low	85 Å²	85	161.3 Å²	161.3	88%	0.876	82%	0.816	S	S	*	*			trans	168.1	107.2	-179.7	0	0	0	0	0	108.3
3	W	46.4	Very low	58.3	Low	237 Å²	237	154.2 Å²	154.2	90%	0.898	81%	0.807	S	S	*	*			trans	-90.7	148.7	-154.6	-178.4	12.3	0	0	0	112.5
4	S	56.2	Low	58.9	Low	66 Å²	66	152.5 Å²	152.5	46%	0.462	81%	0.807	S	S	.	*			trans	12.5	119.5	155.8	-74.1	0	0	0	0	118.4
5	W	52.5	Low	59.3	Low	244 Å²	244	148.5 Å²	148.5	92%	0.924	80%	0.804	S	S	*	*				-122.1	83.7	129.6	-65.5	-33.7	0	0	0	108.5	F7	W5-F7 PolarHBondContact O-N 3.13Å
6	I	61.7	Low	59.5	Low	139 Å²	139	143.4 Å²	143.4	71%	0.713	80%	0.797	S	S	*	*			trans	-70.2	116.8	162.1	-69.4	170.3	0	0	0	105.9	L8	I6-L8 PolarHBondContact O-N 2.78Å
7	F	63.2	Low	60	Low	167 Å²	167	142.6 Å²	142.6	73%	0.732	80%	0.796	S	S	*	*			trans	-64.5	95.1	175.5	-66.7	-88.5	0	0	0	110	W5 F9	W5-F7 PolarHBondContact O-N 3.13Å; F7-F9 VanDerWaalsContact C-N 3.3Å; F7-F9 HydrophobicContact CB-CD2 3.85Å; F7-F9 HydrophobicContact CB-CE2 3.8Å; F7-F9 HydrophobicContact CD1-CE2 4.1Å; F7-F9 HydrophobicContact CG-CE2 4.22Å; F7-F9 PolarHBondContact O-N 3.34Å
8	L	59.5	Low	60	Low	150 Å²	150	144.8 Å²	144.8	79%	0.785	80%	0.799	S	S	*	*			trans	-74.8	84.9	164.9	-85.3	157	0	0	0	108.7	I6 L10	I6-L8 PolarHBondContact O-N 2.78Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 3.36Å; L8-L10 VanDerWaalsContact O-N 3.08Å
9	F	62.4	Low	60.5	Low	172 Å²	172	142.7 Å²	142.7	75%	0.754	80%	0.795	S	S	*	*			trans	-74.8	88.5	162.8	-79	-82.7	0	0	0	108.4	F7 L11	F7-F9 VanDerWaalsContact C-N 3.3Å; F7-F9 HydrophobicContact CB-CD2 3.85Å; F7-F9 HydrophobicContact CB-CE2 3.8Å; F7-F9 HydrophobicContact CD1-CE2 4.1Å; F7-F9 HydrophobicContact CG-CE2 4.22Å; F7-F9 PolarHBondContact O-N 3.34Å; F9-L11 PolarHBondContact O-N 2.98Å
10	L	62.4	Low	61.8	Low	151 Å²	151	143.5 Å²	143.5	79%	0.791	79%	0.793	S	S	*	*			trans	-68.5	96.8	166.8	-71.5	167.6	0	0	0	107.7	L8 S12	L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 3.36Å; L8-L10 VanDerWaalsContact O-N 3.08Å; L10-S12 VanDerWaalsContact C-N 3.27Å; L10-S12 PolarHBondContact O-N 2.92Å
11	L	62	Low	63.2	Low	168 Å²	168	141.5 Å²	141.5	88%	0.88	78%	0.776	S	S	*	*			trans	-69.9	88.6	170.9	-140.9	88.9	0	0	0	107.7	F9 G13	F9-L11 PolarHBondContact O-N 2.98Å; L11-G13 PolarHBondContact O-N 3.33Å
12	S	64.4	Low	65.5	Low	105 Å²	105	134.9 Å²	134.9	73%	0.734	74%	0.742	S	S	*	*			trans	-71.8	82.5	174.6	53.6	0	0	0	0	109.1	L10 T14	L10-S12 VanDerWaalsContact C-N 3.27Å; L10-S12 PolarHBondContact O-N 2.92Å; S12-T14 PolarHBondContact O-N 3.31Å; S12-T14 VanDerWaalsContact O-N 3.09Å
13	G	65.1	Low	67.5	Low	68 Å²	68	133.3 Å²	133.3	70%	0.701	71%	0.713	S	S	*	*			trans	-65.4	104.9	167.1	0	0	0	0	0	108.7	L11 A15	L11-G13 PolarHBondContact O-N 3.33Å; G13-A15 VanDerWaalsContact C-N 3.27Å; G13-A15 PolarHBondContact O-N 2.72Å
14	T	67.1	Low	70	Confident	131 Å²	131	128 Å²	128	80%	0.804	70%	0.698	S	S	*	*			trans	-70.1	92.1	167.6	54.6	0	0	0	0	107	S12 G16	S12-T14 PolarHBondContact O-N 3.31Å; S12-T14 VanDerWaalsContact O-N 3.09Å; T14-G16 PolarHBondContact O-N 2.98Å
15	A	64.8	Low	72	Confident	92 Å²	92	127.2 Å²	127.2	76%	0.76	69%	0.687	S	S	*	*			trans	-63.5	93.6	163.8	0	0	0	0	0	106.6	G13 V17	G13-A15 VanDerWaalsContact C-N 3.27Å; G13-A15 PolarHBondContact O-N 2.72Å; A15-V17 PolarHBondContact O-N 2.89Å
16	G	62.4	Low	74.2	Confident	67 Å²	67	117.6 Å²	117.6	69%	0.691	66%	0.658	S	S	*	*			trans	-63.3	103.5	170.1	0	0	0	0	0	107.3	T14 H18	T14-G16 PolarHBondContact O-N 2.98Å; G16-H18 VanDerWaalsContact C-N 3.29Å; G16-H18 PolarHBondContact O-N 3.32Å
17	V	68.1	Low	75.9	Confident	130 Å²	130	113.7 Å²	113.7	79%	0.788	65%	0.652	S	S	*	*			trans	-71	96.4	167.4	174.7	0	0	0	0	105.7	A15 S19	A15-V17 PolarHBondContact O-N 2.89Å; V17-S19 PolarHBondContact O-N 3.18Å; V17-S19 VanDerWaalsContact O-N 3.09Å
18	H	59.6	Low	77.5	Confident	183 Å²	183	112.6 Å²	112.6	85%	0.847	66%	0.661	S	S	*	*			trans	-60.9	111.2	159.2	-106.8	-87.7	0	0	0	106	G16 E20	G16-H18 VanDerWaalsContact C-N 3.29Å; G16-H18 PolarHBondContact O-N 3.32Å; H18-E20 VanDerWaalsContact C-N 3.26Å; H18-E20 PolarHBondContact O-N 3.01Å
19	S	69.4	Low	79.2	Confident	104 Å²	104	111.3 Å²	111.3	73%	0.727	65%	0.651	S	S	*	*			trans	-70.6	88.7	172.6	46.3	0	0	0	0	108.3	V17	V17-S19 PolarHBondContact O-N 3.18Å; V17-S19 VanDerWaalsContact O-N 3.09Å
20	E	86.8	Confident	80.8	Confident	159 Å²	159	111.5 Å²	111.5	74%	0.743	66%	0.659	S	S	*	*			trans	-71.5	150.9	170.8	-163.5	173.3	177.2	0	0	109.7	H18	H18-E20 VanDerWaalsContact C-N 3.26Å; H18-E20 PolarHBondContact O-N 3.01Å
21	F	91.1	Very high	82.4	Confident	101 Å²	101	106.7 Å²	106.7	44%	0.443	64%	0.636	S	S	.	*			trans	-73.6	151.6	173.5	71.8	-88.6	0	0	0	110.4	S44 Y46	F21-S44 WeakPolarHBondContact CA-O 3.28Å; F21-Y46 HydrophobicContact CB-CD1 3.86Å
22	Q	95.5	Very high	84	Confident	114 Å²	114	106.9 Å²	106.9	53%	0.533	63%	0.63	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-146.5	150.4	179.7	62.9	179.1	1.6	0	0	112.2	S44	Q22-S44 WeakPolarHBondContact CG-OG 2.99Å; Q22-S44 PolarHBondContact N-O 3.31Å; Q22-S44 PolarHBondContact NE2-OG 2.68Å; Q22-S44 PolarHBondContact O-N 2.9Å
23	L	97.9	Very high	85.4	Confident	52 Å²	52	107.3 Å²	107.3	27%	0.272	63%	0.63	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.9	115	169.6	-64	-176.1	0	0	0	108.9	K42 A43 Y46 M53 R117	L23-K42 CarbonylContact C-O 3.57Å; L23-K42 WeakPolarHBondContact CA-O 3.24Å; L23-A43 HydrophobicContact CD2-CB 3.92Å; L23-Y46 HydrophobicContact CD2-CE1 4.21Å; L23-Y46 WeakPolarHBondContact CD2-OH 3.15Å; L23-M53 HydrophobicContact CD1-CE 4.46Å; L23-M53 HydrophobicContact CD1-SD 4.31Å; L23-M53 HydrophobicContact CD2-CE 3.84Å; L23-R117 HydrophobicContact CD1-CB 4.32Å
24	Q	98	Very high	87	Confident	124 Å²	124	106.6 Å²	106.6	58%	0.579	62%	0.622	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.6	114.3	178.5	-179.9	60.6	64.8	0	0	110	C41 K42	Q24-C41 WeakPolarHBondContact O-CA 3.21Å; Q24-K42 PolarHBondContact N-O 2.99Å; Q24-K42 PolarHBondContact O-N 2.97Å
25	Q	98.6	Very high	88.4	Confident	50 Å²	50	102 Å²	102	23%	0.234	60%	0.598	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.8	155.8	175.4	-60.5	-159.1	135	0	0	112.6	S40 Y113 C115	Q25-S40 CarbonylContact C-O 3.55Å; Q25-S40 WeakPolarHBondContact CA-O 3.41Å; Q25-Y113 PolarHBondContact NE2-O 3.02Å; Q25-Y113 PolarHBondContact OE1-O 3.39Å; Q25-C115 VanDerWaalsContact CG-SG 3.57Å; Q25-C115 PolarHBondContact OE1-SG 2.73Å
26	S	98.1	Very high	90	Very high	43 Å²	43	100.3 Å²	100.3	30%	0.301	58%	0.58	S	S	.	*			trans	-59.7	152.9	162	51	0	0	0	0	110.8	I39 S40	S26-I39 WeakPolarHBondContact OG-CA 3.4Å; S26-I39 WeakPolarHBondContact OG-CG2 3.38Å; S26-S40 WeakPolarHBondContact CB-OG 3.4Å; S26-S40 PolarHBondContact N-O 3.02Å; S26-S40 PolarHBondContact OG-N 2.9Å; S26-S40 VanDerWaalsContact OG-N 3.08Å
27	G	97.1	Very high	91.6	Very high	57 Å²	57	98 Å²	98	59%	0.588	55%	0.553	S	S	*	*			trans	-66.3	174.4	178.7	0	0	0	0	0	113.8
28	P	96.6	Very high	93.1	Very high	143 Å²	143	96.9 Å²	96.9	93%	0.929	54%	0.537	S	S	*	.			trans	-64.3	143.9	175.2	29.3	-35	0	0	0	110.8
29	E	95.7	Very high	94.9	Very high	124 Å²	124	89.1 Å²	89.1	58%	0.579	50%	0.502	S	S	*	.			trans	-127.7	132.6	178.7	-159.6	176.7	143.4	0	0	110.3	V31 V37	E29-V31 HydrophobicContact CG-CG1 3.78Å; E29-V31 WeakPolarHBondContact OE1-CG1 3.36Å; E29-V37 HydrophobicContact CB-CG2 4.1Å; E29-V37 HydrophobicContact CG-CG2 4.35Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.21Å
30	L	96.1	Very high	96.3	Very high	176 Å²	176	85.8 Å²	85.8	92%	0.921	48%	0.478	S	S	*	.			trans	-105.8	115.5	173.4	-176.6	67.4	0	0	0	108.7
31	V	95.7	Very high	96.9	Very high	50 Å²	50	78.2 Å²	78.2	30%	0.303	44%	0.443	S	S	.	.			trans	-126.2	158.8	-176.7	-59.4	0	0	0	0	111.4	E29 A35 L105	E29-V31 HydrophobicContact CG-CG1 3.78Å; E29-V31 WeakPolarHBondContact OE1-CG1 3.36Å; V31-A35 HydrophobicContact CB-CB 4.13Å; V31-A35 HydrophobicContact CG2-CB 4.43Å; V31-L105 HydrophobicContact CG2-CD1 3.39Å
32	K	95.3	Very high	97.2	Very high	171 Å²	171	78.6 Å²	78.6	74%	0.743	44%	0.444	S	S	*	.			trans	-74.9	151	175.8	-63.2	179.3	-177.3	177.9	0	110.5	A35	K32-A35 WeakPolarHBondContact O-CB 3.17Å; K32-A35 PolarHBondContact O-N 2.95Å; K32-A35 VanDerWaalsContact O-N 3.13Å
33	P	95.5	Very high	97.4	Very high	115 Å²	115	73.2 Å²	73.2	75%	0.747	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	142.6	169	-25.4	34.7	0	0	0	111.9	A35	P33-A35 PolarHBondContact O-N 3.14Å
34	G	97	Very high	97.3	Very high	52 Å²	52	72.7 Å²	72.7	54%	0.536	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	-14	-175.8	0	0	0	0	0	114.8	L105	G34-L105 PolarHBondContact N-O 3.25Å
35	A	97.7	Very high	97.2	Very high	35 Å²	35	69.4 Å²	69.4	29%	0.289	42%	0.42	S	S	.	.			trans	-70.5	169.8	174.2	0	0	0	0	0	111.9	V31 K32 P33 S104 L105	V31-A35 HydrophobicContact CB-CB 4.13Å; V31-A35 HydrophobicContact CG2-CB 4.43Å; K32-A35 WeakPolarHBondContact O-CB 3.17Å; K32-A35 PolarHBondContact O-N 2.95Å; K32-A35 VanDerWaalsContact O-N 3.13Å; P33-A35 PolarHBondContact O-N 3.14Å; A35-S104 PolarHBondContact O-N 2.88Å; A35-L105 WeakPolarHBondContact O-CB 3.33Å; A35-L105 WeakPolarHBondContact O-CG 3.45Å; A35-L105 PolarHBondContact O-N 3.08Å
36	S	97.2	Very high	96.9	Very high	56 Å²	56	69 Å²	69	39%	0.392	42%	0.416	S	S	.	.			trans	-112.4	151.3	170	-61	0	0	0	0	110.1	L102 N103	S36-L102 CarbonylContact C-O 3.46Å; S36-L102 WeakPolarHBondContact CA-O 3.44Å; S36-L102 WeakPolarHBondContact CB-O 3.41Å; S36-N103 WeakPolarHBondContact OG-CA 3.36Å; S36-N103 PolarHBondContact OG-OD1 3.17Å
37	V	97.8	Very high	96.8	Very high	18 Å²	18	70.2 Å²	70.2	11%	0.109	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.7	174.2	68.5	0	0	0	0	110	E29 I39 Q101 L102 L105	E29-V37 HydrophobicContact CB-CG2 4.1Å; E29-V37 HydrophobicContact CG-CG2 4.35Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.21Å; V37-I39 HydrophobicContact CG2-CG1 4.47Å; V37-Q101 CarbonylContact O-C 3.56Å; V37-Q101 VanDerWaalsContact O-CA 3.28Å; V37-Q101 WeakPolarHBondContact O-CA 3.34Å; V37-L102 HydrophobicContact CG1-CB 3.98Å; V37-L102 HydrophobicContact CG1-CD1 4.22Å; V37-L102 PolarHBondContact N-O 3.03Å; V37-L102 PolarHBondContact O-N 3.05Å; V37-L105 HydrophobicContact CB-CD1 4Å; V37-L105 HydrophobicContact CG1-CD1 3.79Å; V37-L105 HydrophobicContact CG1-CD2 4.44Å
38	K	98.1	Very high	96.8	Very high	107 Å²	107	67.9 Å²	67.9	47%	0.465	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	110.9	175.1	-176.5	174.8	179.9	179	0	110	Y99	K38-Y99 HydrophobicContact CD-CD1 4.32Å; K38-Y99 VanDerWaalsContact CE-CG 3.43Å; K38-Y99 HydrophobicContact CG-CD1 4.24Å
39	I	98.4	Very high	96.8	Very high	21 Å²	21	63.3 Å²	63.3	11%	0.108	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131.1	179.3	-52.1	-175.9	0	0	0	108.3	S26 V37 W55 Y99 M100 Y113	S26-I39 WeakPolarHBondContact OG-CA 3.4Å; S26-I39 WeakPolarHBondContact OG-CG2 3.38Å; V37-I39 HydrophobicContact CG2-CG1 4.47Å; I39-W55 HydrophobicContact CB-CH2 4.42Å; I39-W55 HydrophobicContact CB-CZ3 4.22Å; I39-W55 HydrophobicContact CG2-CH2 4.1Å; I39-W55 HydrophobicContact CG2-CZ3 3.77Å; I39-Y99 CarbonylContact O-C 3.56Å; I39-Y99 WeakPolarHBondContact O-CA 3.38Å; I39-M100 HydrophobicContact CD1-CE 3.75Å; I39-M100 PolarHBondContact N-O 2.96Å; I39-M100 PolarHBondContact O-N 2.9Å; I39-Y113 HydrophobicContact CD1-CD2 4.04Å; I39-Y113 HydrophobicContact CD1-CG 3.92Å
40	S	98.6	Very high	96.9	Very high	33 Å²	33	62.6 Å²	62.6	23%	0.231	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	147.1	174.7	66	0	0	0	0	111.1	Q25 S26 A98 Y99	Q25-S40 CarbonylContact C-O 3.55Å; Q25-S40 WeakPolarHBondContact CA-O 3.41Å; S26-S40 WeakPolarHBondContact CB-OG 3.4Å; S26-S40 PolarHBondContact N-O 3.02Å; S26-S40 PolarHBondContact OG-N 2.9Å; S26-S40 VanDerWaalsContact OG-N 3.08Å; S40-A98 CarbonylContact C-O 3.49Å; S40-A98 WeakPolarHBondContact CA-O 3.38Å; S40-Y99 VanDerWaalsContact CB-CE1 3.48Å
41	C	98.6	Very high	96.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	105.4	172	177.9	0	0	0	0	109.8	Q24 W55 T97 A98 C115	Q24-C41 WeakPolarHBondContact O-CA 3.21Å; C41-W55 HydrophobicContact CB-CH2 3.63Å; C41-W55 HydrophobicContact CB-CZ2 3.94Å; C41-W55 HydrophobicContact CB-CZ3 4.47Å; C41-T97 WeakPolarHBondContact O-CA 3.17Å; C41-A98 PolarHBondContact N-O 2.84Å; C41-A98 PolarHBondContact O-N 3Å; C41-C115 HydrophobicContact CB-CB 3.43Å; C41-C115 VanDerWaalsContact CB-CB 3.43Å; C41-C115 WeakPolarHBondContact CB-SG 3.1Å; C41-C115 WeakPolarHBondContact SG-CB 3.22Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 2.89Å
42	K	98.4	Very high	97	Very high	109 Å²	109	60.6 Å²	60.6	47%	0.474	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.4	-178.3	-176.6	174.2	-176.9	178.4	0	110.9	L23 Q24 T97	L23-K42 CarbonylContact C-O 3.57Å; L23-K42 WeakPolarHBondContact CA-O 3.24Å; Q24-K42 PolarHBondContact N-O 2.99Å; Q24-K42 PolarHBondContact O-N 2.97Å; K42-T97 HydrophobicContact CB-CG2 4.43Å
43	A	98.1	Very high	97.1	Very high	2 Å²	2	52.5 Å²	52.5	2%	0.017	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	143.9	178	0	0	0	0	0	112.1	L23 Y46 F48 S96	L23-A43 HydrophobicContact CD2-CB 3.92Å; A43-Y46 HydrophobicContact CB-CE1 3.65Å; A43-Y46 HydrophobicContact CB-CE2 4.42Å; A43-Y46 VanDerWaalsContact CB-CZ 3.49Å; A43-Y46 WeakPolarHBondContact CB-OH 3.49Å; A43-F48 HydrophobicContact CB-CB 4.42Å; A43-F48 HydrophobicContact CB-CD2 3.4Å; A43-F48 VanDerWaalsContact CB-CD2 3.4Å; A43-F48 HydrophobicContact CB-CE2 3.98Å; A43-F48 HydrophobicContact CB-CG 4.23Å; A43-S96 PolarHBondContact N-O 3.02Å; A43-S96 WeakPolarHBondContact O-CB 3.44Å
44	S	96.7	Very high	97.3	Very high	40 Å²	40	49.1 Å²	49.1	28%	0.28	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	163.9	168.8	52.6	0	0	0	0	111.6	F21 Q22 Y46	F21-S44 WeakPolarHBondContact CA-O 3.28Å; Q22-S44 WeakPolarHBondContact CG-OG 2.99Å; Q22-S44 PolarHBondContact N-O 3.31Å; Q22-S44 PolarHBondContact NE2-OG 2.68Å; Q22-S44 PolarHBondContact O-N 2.9Å; S44-Y46 VanDerWaalsContact C-N 3.3Å; S44-Y46 WeakPolarHBondContact O-CD1 3.48Å
45	G	94.9	Very high	97.4	Very high	55 Å²	55	46.6 Å²	46.6	57%	0.567	26%	0.264	S	S	*	.	S	Bend	trans	78.4	10.3	-174.2	0	0	0	0	0	114.6
46	Y	93.8	Very high	97.4	Very high	42 Å²	42	46.1 Å²	46.1	17%	0.165	26%	0.257	C	S	.	.	S	Bend	trans	-159.8	165.9	171.8	69.4	-80.2	0	0	0	110.8	F21 L23 A43 S44 F48 Y51 R117	F21-Y46 HydrophobicContact CB-CD1 3.86Å; L23-Y46 HydrophobicContact CD2-CE1 4.21Å; L23-Y46 WeakPolarHBondContact CD2-OH 3.15Å; A43-Y46 HydrophobicContact CB-CE1 3.65Å; A43-Y46 HydrophobicContact CB-CE2 4.42Å; A43-Y46 VanDerWaalsContact CB-CZ 3.49Å; A43-Y46 WeakPolarHBondContact CB-OH 3.49Å; S44-Y46 VanDerWaalsContact C-N 3.3Å; S44-Y46 WeakPolarHBondContact O-CD1 3.48Å; Y46-F48 PolarHBondContact O-N 2.84Å; Y46-Y51 AromaticContact CD2-CD2 3.61Å; Y46-Y51 HydrophobicContact CD2-CD2 3.61Å; Y46-Y51 HydrophobicContact CD2-CE2 4.02Å; Y46-Y51 AromaticContact CE2-CD2 3.85Å; Y46-Y51 HydrophobicContact CE2-CD2 3.85Å; Y46-R117 VanDerWaalsContact CB-NH1 3.33Å; Y46-R117 VanDerWaalsContact CD1-NH1 3.29Å; Y46-R117 HydrophobicContact CE2-CG 4.36Å
47	S	95.6	Very high	97.4	Very high	68 Å²	68	43.8 Å²	43.8	48%	0.476	24%	0.24	S	C	.	.			trans	-68.7	108.5	171.7	-58.8	0	0	0	0	110.5	T49 D50	S47-T49 PolarHBondContact O-N 2.86Å; S47-T49 VanDerWaalsContact O-N 3.1Å; S47-D50 WeakPolarHBondContact CB-OD2 3.21Å; S47-D50 WeakPolarHBondContact O-CB 3.45Å; S47-D50 PolarHBondContact O-N 3.08Å; S47-D50 PolarHBondContact OG-OD2 2.91Å
48	F	96.6	Very high	97.4	Very high	9 Å²	9	46.4 Å²	46.4	4%	0.039	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-55.9	-31.8	-174.8	178	-125.9	0	0	0	113.8	A43 Y46 D50 M53 P72 V91 S96 A98	A43-F48 HydrophobicContact CB-CB 4.42Å; A43-F48 HydrophobicContact CB-CD2 3.4Å; A43-F48 VanDerWaalsContact CB-CD2 3.4Å; A43-F48 HydrophobicContact CB-CE2 3.98Å; A43-F48 HydrophobicContact CB-CG 4.23Å; Y46-F48 PolarHBondContact O-N 2.84Å; F48-D50 VanDerWaalsContact C-N 3.32Å; F48-D50 PolarHBondContact O-N 2.92Å; F48-M53 HydrophobicContact CE2-CE 3.9Å; F48-P72 HydrophobicContact CD1-CB 3.85Å; F48-P72 HydrophobicContact CD2-CB 4.48Å; F48-P72 HydrophobicContact CD2-CG 4.36Å; F48-P72 HydrophobicContact CE1-CB 3.63Å; F48-P72 HydrophobicContact CE1-CG 4.23Å; F48-P72 HydrophobicContact CE2-CB 4.28Å; F48-P72 HydrophobicContact CE2-CG 4.01Å; F48-P72 HydrophobicContact CG-CB 4.3Å; F48-P72 HydrophobicContact CZ-CB 3.86Å; F48-P72 HydrophobicContact CZ-CG 3.94Å; F48-P72 WeakPolarHBondContact O-CG 3.43Å; F48-V91 HydrophobicContact CE1-CB 4.47Å; F48-V91 HydrophobicContact CE1-CG1 4.42Å; F48-V91 HydrophobicContact CZ-CG1 4.2Å; F48-S96 VanDerWaalsContact CD1-CA 3.47Å; F48-A98 HydrophobicContact CE2-CB 4.45Å; F48-A98 HydrophobicContact CZ-CB 4.05Å
49	T	97.6	Very high	97.2	Very high	47 Å²	47	41.9 Å²	41.9	29%	0.288	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-73.9	-16.6	179.7	49.6	0	0	0	0	114.6	S47 Y51 N73	S47-T49 PolarHBondContact O-N 2.86Å; S47-T49 VanDerWaalsContact O-N 3.1Å; T49-Y51 VanDerWaalsContact C-N 3.3Å; T49-Y51 PolarHBondContact O-N 3.25Å; T49-N73 HydrophobicContact CG2-CB 4.41Å
50	D	96.3	Very high	96.7	Very high	109 Å²	109	47.4 Å²	47.4	58%	0.583	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-80.8	-12.7	-172.2	-67.4	3.1	0	0	0	112.8	S47 F48	S47-D50 WeakPolarHBondContact CB-OD2 3.21Å; S47-D50 WeakPolarHBondContact O-CB 3.45Å; S47-D50 PolarHBondContact O-N 3.08Å; S47-D50 PolarHBondContact OG-OD2 2.91Å; F48-D50 VanDerWaalsContact C-N 3.32Å; F48-D50 PolarHBondContact O-N 2.92Å
51	Y	96.5	Very high	96	Very high	113 Å²	113	50.3 Å²	50.3	44%	0.443	30%	0.298	S	S	.	.	S	Bend	trans	-135.6	145.1	-175.8	-61.2	-93.3	0	0	0	111.8	Y46 T49 P72 R117	Y46-Y51 AromaticContact CD2-CD2 3.61Å; Y46-Y51 HydrophobicContact CD2-CD2 3.61Å; Y46-Y51 HydrophobicContact CD2-CE2 4.02Å; Y46-Y51 AromaticContact CE2-CD2 3.85Å; Y46-Y51 HydrophobicContact CE2-CD2 3.85Å; T49-Y51 VanDerWaalsContact C-N 3.3Å; T49-Y51 PolarHBondContact O-N 3.25Å; Y51-P72 WeakPolarHBondContact O-CD 3.32Å; Y51-P72 VanDerWaalsContact O-CG 3.28Å; Y51-P72 WeakPolarHBondContact O-CG 3.4Å; Y51-R117 HydrophobicContact CD1-CG 3.92Å; Y51-R117 HydrophobicContact CD2-CG 4.32Å; Y51-R117 VanDerWaalsContact CG-CD 3.43Å; Y51-R117 HydrophobicContact CG-CG 3.61Å
52	N	98.2	Very high	95.5	Very high	71 Å²	71	57.3 Å²	57.3	38%	0.38	33%	0.328	S	S	.	.			trans	-71.5	148.2	173.2	-65.8	-50.7	0	0	0	111	V69 N71	N52-V69 HydrophobicContact CB-CG2 3.5Å; N52-V69 VanDerWaalsContact CB-CG2 3.5Å; N52-N71 VanDerWaalsContact OD1-CA 3.27Å; N52-N71 WeakPolarHBondContact OD1-CA 3.3Å; N52-N71 VanDerWaalsContact OD1-CB 3.22Å; N52-N71 WeakPolarHBondContact OD1-CB 3.47Å; N52-N71 PolarHBondContact OD1-ND2 3.18Å
53	M	98.6	Very high	95.1	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	112.4	172.3	-172.2	65.6	67.5	0	0	110	L23 F48 V69 I70 A98 C115	L23-M53 HydrophobicContact CD1-CE 4.46Å; L23-M53 HydrophobicContact CD1-SD 4.31Å; L23-M53 HydrophobicContact CD2-CE 3.84Å; F48-M53 HydrophobicContact CE2-CE 3.9Å; M53-V69 CarbonylContact O-C 3.59Å; M53-V69 VanDerWaalsContact O-CA 3.31Å; M53-V69 WeakPolarHBondContact O-CA 3.48Å; M53-I70 HydrophobicContact CB-CG2 3.91Å; M53-I70 PolarHBondContact N-O 2.6Å; M53-I70 PolarHBondContact O-N 2.91Å; M53-A98 HydrophobicContact CB-CB 4.08Å; M53-A98 HydrophobicContact CE-CB 4.36Å; M53-A98 HydrophobicContact CG-CB 3.68Å; M53-C115 HydrophobicContact CG-CB 4.39Å; M53-C115 HydrophobicContact SD-CB 3.72Å
54	N	98.7	Very high	95.1	Very high	43 Å²	43	61.7 Å²	61.7	23%	0.23	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	147.1	174.4	-68.9	-83.9	0	0	0	110.7	W66 C115 A116	N54-W66 PolarHBondContact OD1-NE1 3.09Å; N54-W66 VanDerWaalsContact OD1-NE1 3.17Å; N54-C115 CarbonylContact O-C 3.59Å; N54-C115 VanDerWaalsContact O-CA 3.27Å; N54-C115 WeakPolarHBondContact O-CA 3.45Å; N54-A116 HydrophobicContact CB-CB 4.46Å; N54-A116 WeakPolarHBondContact CB-O 3.48Å; N54-A116 PolarHBondContact N-O 3.44Å; N54-A116 PolarHBondContact O-N 2.85Å
55	W	98.8	Very high	95.1	Very high	0 Å²	0	62 Å²	62	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.5	174.2	-67.9	89.3	0	0	0	110.4	I39 C41 I67 G68 L89 A98 M100 Y114 C115	I39-W55 HydrophobicContact CB-CH2 4.42Å; I39-W55 HydrophobicContact CB-CZ3 4.22Å; I39-W55 HydrophobicContact CG2-CH2 4.1Å; I39-W55 HydrophobicContact CG2-CZ3 3.77Å; C41-W55 HydrophobicContact CB-CH2 3.63Å; C41-W55 HydrophobicContact CB-CZ2 3.94Å; C41-W55 HydrophobicContact CB-CZ3 4.47Å; W55-I67 HydrophobicContact CB-CB 4.14Å; W55-I67 HydrophobicContact CB-CD1 4.33Å; W55-I67 WeakPolarHBondContact O-CB 3.44Å; W55-I67 PolarHBondContact O-N 3.26Å; W55-G68 PolarHBondContact N-O 3.02Å; W55-L89 HydrophobicContact CB-CD2 4.48Å; W55-L89 HydrophobicContact CG-CD2 3.95Å; W55-A98 HydrophobicContact CZ2-CB 4.11Å; W55-M100 HydrophobicContact CB-SD 3.86Å; W55-M100 HydrophobicContact CD2-CB 3.64Å; W55-M100 HydrophobicContact CD2-CE 4.4Å; W55-M100 HydrophobicContact CD2-CG 4.4Å; W55-M100 HydrophobicContact CD2-SD 4.05Å; W55-M100 HydrophobicContact CE3-CB 3.76Å; W55-M100 HydrophobicContact CE3-CE 3.73Å; W55-M100 HydrophobicContact CE3-SD 3.98Å; W55-M100 HydrophobicContact CG-CB 4.22Å; W55-M100 HydrophobicContact CG-SD 4.04Å; W55-M100 HydrophobicContact CH2-CB 4Å; W55-M100 HydrophobicContact CZ2-CB 3.9Å; W55-M100 HydrophobicContact CZ3-CB 3.94Å; W55-M100 HydrophobicContact CZ3-CE 4.21Å; W55-Y114 CarbonylContact C-O 3.55Å; W55-Y114 WeakPolarHBondContact CA-O 3.43Å; W55-C115 HydrophobicContact CD2-CB 4.25Å; W55-C115 HydrophobicContact CE3-CB 3.98Å; W55-C115 HydrophobicContact CH2-CB 3.97Å; W55-C115 HydrophobicContact CZ2-CB 4.21Å; W55-C115 HydrophobicContact CZ3-CB 3.83Å
56	V	98.4	Very high	95.2	Very high	25 Å²	25	63.8 Å²	63.8	15%	0.152	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138.2	-173.2	-175.8	0	0	0	0	109.7	L64 E65 Y113 Y114	V56-L64 HydrophobicContact CG1-CB 3.8Å; V56-L64 HydrophobicContact CG1-CD2 3.97Å; V56-L64 HydrophobicContact CG1-CG 4.33Å; V56-E65 WeakPolarHBondContact CA-O 3.21Å; V56-Y113 WeakPolarHBondContact O-CA 3.33Å; V56-Y114 PolarHBondContact N-O 3.43Å; V56-Y114 PolarHBondContact O-N 2.9Å
57	K	97.6	Very high	95.4	Very high	7 Å²	7	61.8 Å²	61.8	3%	0.03	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133	171.7	-177.3	-179.9	-177.8	-179.3	0	109.7	S59 E65 I67 F83 E108 D109 A111 Y113	K57-S59 WeakPolarHBondContact CE-OG 3.45Å; K57-E65 HydrophobicContact CB-CB 4.39Å; K57-E65 PolarHBondContact N-O 2.92Å; K57-E65 PolarHBondContact O-N 2.91Å; K57-I67 HydrophobicContact CB-CD1 4Å; K57-I67 HydrophobicContact CB-CG1 4.18Å; K57-F83 HydrophobicContact CB-CZ 4.22Å; K57-F83 HydrophobicContact CD-CE1 3.93Å; K57-F83 HydrophobicContact CD-CZ 3.93Å; K57-E108 PolarHBondContact NZ-O 2.98Å; K57-D109 IonicContact NZ-OD1 2.62Å; K57-A111 HydrophobicContact CD-CB 4.18Å; K57-A111 VanDerWaalsContact CE-CB 3.45Å; K57-A111 HydrophobicContact CG-CB 3.66Å; K57-Y113 HydrophobicContact CB-CD1 4.05Å; K57-Y113 HydrophobicContact CB-CE1 3.82Å; K57-Y113 HydrophobicContact CD-CE1 3.93Å; K57-Y113 HydrophobicContact CG-CD1 4.21Å; K57-Y113 HydrophobicContact CG-CE1 3.69Å
58	Q	97	Very high	95.6	Very high	72 Å²	72	58.6 Å²	58.6	34%	0.336	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	105.3	168	-168.8	175.4	21.5	0	0	109.5	L64 A111 V112 Y114	Q58-L64 HydrophobicContact CB-CD2 3.64Å; Q58-L64 HydrophobicContact CG-CD2 3.74Å; Q58-A111 WeakPolarHBondContact O-CB 3.46Å; Q58-V112 PolarHBondContact N-O 3.44Å; Q58-V112 PolarHBondContact O-N 2.83Å; Q58-Y114 HydrophobicContact CB-CD2 4.31Å; Q58-Y114 HydrophobicContact CB-CE2 3.78Å; Q58-Y114 VanDerWaalsContact OE1-CE2 3.25Å; Q58-Y114 PolarHBondContact OE1-OH 2.84Å
59	S	94	Very high	95.7	Very high	13 Å²	13	59.5 Å²	59.5	9%	0.091	33%	0.326	C	S	.	.			trans	-82.3	146.5	173.4	-52.2	0	0	0	0	109.8	K57 G61 K62	K57-S59 WeakPolarHBondContact CE-OG 3.45Å; S59-G61 PolarHBondContact O-N 3.28Å; S59-G61 VanDerWaalsContact O-N 3.14Å; S59-K62 PolarHBondContact O-N 2.77Å
60	N	87.5	Confident	95.7	Very high	136 Å²	136	57.3 Å²	57.3	73%	0.727	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	120.9	-178.3	-70.2	-15	0	0	0	111.9	K62	N60-K62 PolarHBondContact O-N 2.85Å
61	G	84.5	Confident	95.8	Very high	94 Å²	94	53.6 Å²	53.6	97%	0.969	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	8.9	179	0	0	0	0	0	115.7	S59	S59-G61 PolarHBondContact O-N 3.28Å; S59-G61 VanDerWaalsContact O-N 3.14Å
62	K	87.2	Confident	95.9	Very high	148 Å²	148	48.2 Å²	48.2	64%	0.643	27%	0.271	S	S	*	.	S	Bend	trans	-111.5	168.8	-179.8	-58.8	-169.3	-177.9	178.4	0	112	S59 N60	S59-K62 PolarHBondContact O-N 2.77Å; N60-K62 PolarHBondContact O-N 2.85Å
63	S	91.8	Very high	95.9	Very high	94 Å²	94	48 Å²	48	66%	0.657	27%	0.271	S	S	*	.			trans	-64.2	160.3	172.7	58.1	0	0	0	0	112.1
64	L	96.3	Very high	95.9	Very high	109 Å²	109	56.3 Å²	56.3	57%	0.571	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	132.8	169.3	-64.2	176.4	0	0	0	110	V56 Q58	V56-L64 HydrophobicContact CG1-CB 3.8Å; V56-L64 HydrophobicContact CG1-CD2 3.97Å; V56-L64 HydrophobicContact CG1-CG 4.33Å; Q58-L64 HydrophobicContact CB-CD2 3.64Å; Q58-L64 HydrophobicContact CG-CD2 3.74Å
65	E	96.9	Very high	95.8	Very high	46 Å²	46	56 Å²	56	22%	0.215	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.9	174.1	-60	-168.9	94.2	0	0	109.4	V56 K57 I67 K82 F83	V56-E65 WeakPolarHBondContact CA-O 3.21Å; K57-E65 HydrophobicContact CB-CB 4.39Å; K57-E65 PolarHBondContact N-O 2.92Å; K57-E65 PolarHBondContact O-N 2.91Å; E65-I67 PolarHBondContact O-N 2.92Å; E65-K82 IonicContact OE1-NZ 3.7Å; E65-K82 PolarHBondContact OE1-NZ 2.83Å; E65-K82 IonicContact OE2-NZ 2.68Å; E65-K82 PolarHBondContact OE2-NZ 3.44Å; E65-F83 HydrophobicContact CB-CE2 4.17Å; E65-F83 HydrophobicContact CB-CZ 4.21Å
66	W	98	Very high	95.8	Very high	93 Å²	93	60.2 Å²	60.2	35%	0.352	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	128.9	173.6	-179.5	79	0	0	0	110.2	N54 G68 V69 N80	N54-W66 PolarHBondContact OD1-NE1 3.09Å; N54-W66 VanDerWaalsContact OD1-NE1 3.17Å; W66-G68 VanDerWaalsContact CZ2-C 3.42Å; W66-G68 VanDerWaalsContact CZ2-CA 3.41Å; W66-G68 PolarHBondContact NE1-O 2.86Å; W66-V69 HydrophobicContact CH2-CG1 4.46Å; W66-V69 HydrophobicContact CZ2-CB 3.91Å; W66-V69 HydrophobicContact CZ2-CG1 3.79Å; W66-N80 HydrophobicContact CE3-CB 3.76Å; W66-N80 HydrophobicContact CZ3-CB 4Å; W66-N80 VanDerWaalsContact CZ3-N 3.29Å; W66-N80 WeakPolarHBondContact O-CB 3.45Å; W66-N80 PolarHBondContact O-ND2 2.9Å
67	I	98.5	Very high	95.8	Very high	0 Å²	0	62 Å²	62	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-48.4	-177.6	-61	174.2	0	0	0	110	W55 K57 E65 N80 F83 A87 M100 Y113	W55-I67 HydrophobicContact CB-CB 4.14Å; W55-I67 HydrophobicContact CB-CD1 4.33Å; W55-I67 WeakPolarHBondContact O-CB 3.44Å; W55-I67 PolarHBondContact O-N 3.26Å; K57-I67 HydrophobicContact CB-CD1 4Å; K57-I67 HydrophobicContact CB-CG1 4.18Å; E65-I67 PolarHBondContact O-N 2.92Å; I67-N80 PolarHBondContact O-N 2.83Å; I67-F83 HydrophobicContact CB-CD2 4.29Å; I67-F83 HydrophobicContact CB-CG 4.2Å; I67-F83 HydrophobicContact CD1-CE1 4.49Å; I67-F83 HydrophobicContact CG1-CD1 4.07Å; I67-F83 HydrophobicContact CG1-CD2 4.19Å; I67-F83 HydrophobicContact CG1-CE1 3.99Å; I67-F83 HydrophobicContact CG1-CE2 4.09Å; I67-F83 HydrophobicContact CG1-CG 4.16Å; I67-F83 HydrophobicContact CG1-CZ 3.99Å; I67-F83 HydrophobicContact CG2-CB 3.76Å; I67-F83 HydrophobicContact CG2-CD1 4.08Å; I67-F83 HydrophobicContact CG2-CD2 4.39Å; I67-F83 HydrophobicContact CG2-CG 3.83Å; I67-A87 HydrophobicContact CG2-CB 3.74Å; I67-M100 HydrophobicContact CD1-CE 4.04Å; I67-M100 HydrophobicContact CD1-SD 3.54Å; I67-M100 VanDerWaalsContact CD1-SD 3.54Å; I67-M100 HydrophobicContact CG2-SD 4.02Å; I67-Y113 HydrophobicContact CD1-CD1 3.65Å; I67-Y113 HydrophobicContact CD1-CE1 3.83Å
68	G	98.7	Very high	95.8	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.4	177.9	-172.2	0	0	0	0	0	112.2	W55 W66 S78	W55-G68 PolarHBondContact N-O 3.02Å; W66-G68 VanDerWaalsContact CZ2-C 3.42Å; W66-G68 VanDerWaalsContact CZ2-CA 3.41Å; W66-G68 PolarHBondContact NE1-O 2.86Å; G68-S78 CarbonylContact C-O 3.54Å; G68-S78 WeakPolarHBondContact CA-O 3.4Å
69	V	98.7	Very high	95.9	Very high	28 Å²	28	64.2 Å²	64.2	17%	0.17	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	143.2	179.6	65.1	0	0	0	0	109.4	N52 M53 W66 T77 S78	N52-V69 HydrophobicContact CB-CG2 3.5Å; N52-V69 VanDerWaalsContact CB-CG2 3.5Å; M53-V69 CarbonylContact O-C 3.59Å; M53-V69 VanDerWaalsContact O-CA 3.31Å; M53-V69 WeakPolarHBondContact O-CA 3.48Å; W66-V69 HydrophobicContact CH2-CG1 4.46Å; W66-V69 HydrophobicContact CZ2-CB 3.91Å; W66-V69 HydrophobicContact CZ2-CG1 3.79Å; V69-T77 CarbonylContact O-C 3.6Å; V69-T77 VanDerWaalsContact O-CA 3.29Å; V69-T77 WeakPolarHBondContact O-CA 2.95Å; V69-S78 PolarHBondContact N-O 2.82Å; V69-S78 PolarHBondContact O-N 3.32Å
70	I	98.8	Very high	96.1	Very high	2 Å²	2	66 Å²	66	1%	0.01	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.1	169.7	-174.7	162.9	0	0	0	109.8	M53 P72 T76 T77 L89 V91	M53-I70 HydrophobicContact CB-CG2 3.91Å; M53-I70 PolarHBondContact N-O 2.6Å; M53-I70 PolarHBondContact O-N 2.91Å; I70-P72 WeakPolarHBondContact O-CD 3.35Å; I70-T76 WeakPolarHBondContact CA-O 3.38Å; I70-T77 HydrophobicContact CB-CG2 4.08Å; I70-T77 HydrophobicContact CD1-CG2 3.83Å; I70-T77 HydrophobicContact CG1-CG2 3.86Å; I70-L89 HydrophobicContact CB-CB 4.01Å; I70-L89 HydrophobicContact CB-CD1 4.3Å; I70-L89 HydrophobicContact CD1-CB 4.15Å; I70-L89 HydrophobicContact CG2-CB 4.28Å; I70-V91 HydrophobicContact CD1-CB 4.3Å; I70-V91 HydrophobicContact CD1-CG1 3.65Å; I70-V91 HydrophobicContact CD1-CG2 4.07Å; I70-V91 HydrophobicContact CG1-CG1 3.9Å; I70-V91 HydrophobicContact CG2-CG1 3.93Å
71	N	98.5	Very high	96.6	Very high	30 Å²	30	67.9 Å²	67.9	16%	0.16	38%	0.375	C	S	.	.			trans	-83.9	115.9	170.3	-176.3	-74.6	0	0	0	109.3	N52 N73 Y74 G75 T76	N52-N71 VanDerWaalsContact OD1-CA 3.27Å; N52-N71 WeakPolarHBondContact OD1-CA 3.3Å; N52-N71 VanDerWaalsContact OD1-CB 3.22Å; N52-N71 WeakPolarHBondContact OD1-CB 3.47Å; N52-N71 PolarHBondContact OD1-ND2 3.18Å; N71-N73 VanDerWaalsContact C-N 3.29Å; N71-N73 PolarHBondContact O-N 2.79Å; N71-N73 WeakPolarHBondContact OD1-CA 3.47Å; N71-N73 VanDerWaalsContact OD1-CB 3.27Å; N71-N73 WeakPolarHBondContact OD1-CB 3Å; N71-N73 PolarHBondContact OD1-N 2.78Å; N71-Y74 WeakPolarHBondContact OD1-CD2 3.27Å; N71-Y74 PolarHBondContact OD1-N 2.81Å; N71-G75 VanDerWaalsContact O-CA 3.23Å; N71-G75 WeakPolarHBondContact O-CA 2.99Å; N71-G75 PolarHBondContact O-N 2.93Å; N71-T76 WeakPolarHBondContact CB-OG1 3.44Å; N71-T76 PolarHBondContact N-O 3.03Å
72	P	98.3	Very high	97.1	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-26.1	-177	-23	35.9	0	0	0	114.4	F48 Y51 I70 V91 Q93	F48-P72 HydrophobicContact CD1-CB 3.85Å; F48-P72 HydrophobicContact CD2-CB 4.48Å; F48-P72 HydrophobicContact CD2-CG 4.36Å; F48-P72 HydrophobicContact CE1-CB 3.63Å; F48-P72 HydrophobicContact CE1-CG 4.23Å; F48-P72 HydrophobicContact CE2-CB 4.28Å; F48-P72 HydrophobicContact CE2-CG 4.01Å; F48-P72 HydrophobicContact CG-CB 4.3Å; F48-P72 HydrophobicContact CZ-CB 3.86Å; F48-P72 HydrophobicContact CZ-CG 3.94Å; F48-P72 WeakPolarHBondContact O-CG 3.43Å; Y51-P72 WeakPolarHBondContact O-CD 3.32Å; Y51-P72 VanDerWaalsContact O-CG 3.28Å; Y51-P72 WeakPolarHBondContact O-CG 3.4Å; I70-P72 WeakPolarHBondContact O-CD 3.35Å; P72-V91 HydrophobicContact CB-CG1 4.14Å; P72-V91 HydrophobicContact CG-CG1 4.36Å; P72-Q93 VanDerWaalsContact O-CD 3.27Å; P72-Q93 WeakPolarHBondContact O-CG 3.06Å; P72-Q93 PolarHBondContact O-NE2 3.2Å
73	N	97.8	Very high	97.5	Very high	68 Å²	68	62.3 Å²	62.3	36%	0.364	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-48.3	178.6	-169	23.5	0	0	0	111.7	T49 N71 Q93	T49-N73 HydrophobicContact CG2-CB 4.41Å; N71-N73 VanDerWaalsContact C-N 3.29Å; N71-N73 PolarHBondContact O-N 2.79Å; N71-N73 WeakPolarHBondContact OD1-CA 3.47Å; N71-N73 VanDerWaalsContact OD1-CB 3.27Å; N71-N73 WeakPolarHBondContact OD1-CB 3Å; N71-N73 PolarHBondContact OD1-N 2.78Å; N73-Q93 PolarHBondContact O-NE2 3.38Å
74	Y	97.3	Very high	97.7	Very high	175 Å²	175	65.6 Å²	65.6	69%	0.686	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-11.3	-173.4	-56.8	-64.1	0	0	0	114.5	N71 T76	N71-Y74 WeakPolarHBondContact OD1-CD2 3.27Å; N71-Y74 PolarHBondContact OD1-N 2.81Å; Y74-T76 PolarHBondContact O-N 2.62Å
75	G	97.4	Very high	97.7	Very high	36 Å²	36	63.7 Å²	63.7	37%	0.371	33%	0.333	S	S	.	.			trans	68.6	8.6	-174.3	0	0	0	0	0	114.3	N71	N71-G75 VanDerWaalsContact O-CA 3.23Å; N71-G75 WeakPolarHBondContact O-CA 2.99Å; N71-G75 PolarHBondContact O-N 2.93Å
76	T	98.1	Very high	97.6	Very high	89 Å²	89	63.5 Å²	63.5	55%	0.546	33%	0.332	S	S	.	.			trans	-73	139.1	-179.5	52.5	0	0	0	0	110.9	I70 N71 Y74	I70-T76 WeakPolarHBondContact CA-O 3.38Å; N71-T76 WeakPolarHBondContact CB-OG1 3.44Å; N71-T76 PolarHBondContact N-O 3.03Å; Y74-T76 PolarHBondContact O-N 2.62Å
77	T	98.6	Very high	97.6	Very high	63 Å²	63	59.2 Å²	59.2	39%	0.387	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	142.4	-175.1	58.7	0	0	0	0	112.1	V69 I70 Y79 L89	V69-T77 CarbonylContact O-C 3.6Å; V69-T77 VanDerWaalsContact O-CA 3.29Å; V69-T77 WeakPolarHBondContact O-CA 2.95Å; I70-T77 HydrophobicContact CB-CG2 4.08Å; I70-T77 HydrophobicContact CD1-CG2 3.83Å; I70-T77 HydrophobicContact CG1-CG2 3.86Å; T77-Y79 HydrophobicContact CG2-CE2 4.39Å; T77-Y79 VanDerWaalsContact OG1-CE2 3.31Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.39Å; T77-L89 HydrophobicContact CG2-CB 4.06Å
78	S	98.4	Very high	97.6	Very high	64 Å²	64	62 Å²	62	45%	0.448	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	146	164.6	-178.3	0	0	0	0	109.6	G68 V69	G68-S78 CarbonylContact C-O 3.54Å; G68-S78 WeakPolarHBondContact CA-O 3.4Å; V69-S78 PolarHBondContact N-O 2.82Å; V69-S78 PolarHBondContact O-N 3.32Å
79	Y	98.7	Very high	97.7	Very high	60 Å²	60	62.4 Å²	62.4	24%	0.235	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.1	-173.2	-66.4	-91.2	0	0	0	111.1	T77 A87 L89	T77-Y79 HydrophobicContact CG2-CE2 4.39Å; T77-Y79 VanDerWaalsContact OG1-CE2 3.31Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.39Å; Y79-A87 HydrophobicContact CE1-CB 4.36Å; Y79-L89 HydrophobicContact CE1-CD1 4.05Å; Y79-L89 HydrophobicContact CE1-CG 3.7Å; Y79-L89 PolarHBondContact OH-N 2.98Å
80	N	97.9	Very high	97.6	Very high	51 Å²	51	64 Å²	64	27%	0.273	35%	0.345	S	S	.	.			trans	-66.2	134.9	156.7	-178.4	-35.1	0	0	0	109	W66 I67 K82 F83 K84	W66-N80 HydrophobicContact CE3-CB 3.76Å; W66-N80 HydrophobicContact CZ3-CB 4Å; W66-N80 VanDerWaalsContact CZ3-N 3.29Å; W66-N80 WeakPolarHBondContact O-CB 3.45Å; W66-N80 PolarHBondContact O-ND2 2.9Å; I67-N80 PolarHBondContact O-N 2.83Å; N80-K82 PolarHBondContact O-N 2.9Å; N80-K82 VanDerWaalsContact O-N 3.12Å; N80-K82 WeakPolarHBondContact OD1-CB 3.4Å; N80-K82 PolarHBondContact OD1-N 2.83Å; N80-F83 HydrophobicContact CB-CD2 4.01Å; N80-F83 PolarHBondContact O-N 2.02Å; N80-K84 PolarHBondContact O-N 2.88Å
81	Q	97.6	Very high	97.6	Very high	176 Å²	176	65.7 Å²	65.7	82%	0.822	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-53.3	-35.2	-178.4	-173.1	173.4	-7.3	0	0	112.9	F83 K84	Q81-F83 VanDerWaalsContact C-N 3.25Å; Q81-F83 PolarHBondContact O-N 2.83Å; Q81-K84 PolarHBondContact O-N 3.03Å
82	K	95.1	Very high	97.6	Very high	121 Å²	121	66.9 Å²	66.9	53%	0.526	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-60.1	-32.9	177.3	-176	-176.9	-178.4	-174.3	0	113.2	E65 N80	E65-K82 IonicContact OE1-NZ 3.7Å; E65-K82 PolarHBondContact OE1-NZ 2.83Å; E65-K82 IonicContact OE2-NZ 2.68Å; E65-K82 PolarHBondContact OE2-NZ 3.44Å; N80-K82 PolarHBondContact O-N 2.9Å; N80-K82 VanDerWaalsContact O-N 3.12Å; N80-K82 WeakPolarHBondContact OD1-CB 3.4Å; N80-K82 PolarHBondContact OD1-N 2.83Å
83	F	97	Very high	97.6	Very high	4 Å²	4	71.6 Å²	71.6	2%	0.018	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-103	-4.5	-174.7	-64.2	-85.8	0	0	0	113.2	K57 E65 I67 N80 Q81 G85 K86 A87	K57-F83 HydrophobicContact CB-CZ 4.22Å; K57-F83 HydrophobicContact CD-CE1 3.93Å; K57-F83 HydrophobicContact CD-CZ 3.93Å; E65-F83 HydrophobicContact CB-CE2 4.17Å; E65-F83 HydrophobicContact CB-CZ 4.21Å; I67-F83 HydrophobicContact CB-CD2 4.29Å; I67-F83 HydrophobicContact CB-CG 4.2Å; I67-F83 HydrophobicContact CD1-CE1 4.49Å; I67-F83 HydrophobicContact CG1-CD1 4.07Å; I67-F83 HydrophobicContact CG1-CD2 4.19Å; I67-F83 HydrophobicContact CG1-CE1 3.99Å; I67-F83 HydrophobicContact CG1-CE2 4.09Å; I67-F83 HydrophobicContact CG1-CG 4.16Å; I67-F83 HydrophobicContact CG1-CZ 3.99Å; I67-F83 HydrophobicContact CG2-CB 3.76Å; I67-F83 HydrophobicContact CG2-CD1 4.08Å; I67-F83 HydrophobicContact CG2-CD2 4.39Å; I67-F83 HydrophobicContact CG2-CG 3.83Å; N80-F83 HydrophobicContact CB-CD2 4.01Å; N80-F83 PolarHBondContact O-N 2.02Å; Q81-F83 VanDerWaalsContact C-N 3.25Å; Q81-F83 PolarHBondContact O-N 2.83Å; F83-G85 PolarHBondContact O-N 2.94Å; F83-K86 WeakPolarHBondContact O-CB 3.39Å; F83-K86 PolarHBondContact O-N 2.89Å; F83-A87 HydrophobicContact CB-CB 4.32Å; F83-A87 PolarHBondContact O-N 2.98Å
84	K	95.9	Very high	97.5	Very high	163 Å²	163	73.6 Å²	73.6	71%	0.709	40%	0.403	S	S	*	.	B	Isolated β-bridge	trans	-61.8	125.6	176.3	-169.6	170	-175.2	176.8	0	109.8	N80 Q81 K86	N80-K84 PolarHBondContact O-N 2.88Å; Q81-K84 PolarHBondContact O-N 3.03Å; K84-K86 PolarHBondContact O-N 3.09Å
85	G	94.5	Very high	97.6	Very high	68 Å²	68	67 Å²	67	70%	0.701	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-23.1	-174.6	0	0	0	0	0	114.5	F83	F83-G85 PolarHBondContact O-N 2.94Å
86	K	96.5	Very high	97.6	Very high	43 Å²	43	67 Å²	67	19%	0.187	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-46.3	172.8	-175.9	68.5	176.7	-169.3	0	111.9	F83 K84 L102 N103 S104 D109	F83-K86 WeakPolarHBondContact O-CB 3.39Å; F83-K86 PolarHBondContact O-N 2.89Å; K84-K86 PolarHBondContact O-N 3.09Å; K86-L102 HydrophobicContact CG-CD2 4.36Å; K86-L102 WeakPolarHBondContact O-CA 3.29Å; K86-N103 VanDerWaalsContact CD-O 3.24Å; K86-N103 WeakPolarHBondContact CD-O 3.39Å; K86-N103 WeakPolarHBondContact CE-O 3.27Å; K86-N103 PolarHBondContact NZ-O 2.86Å; K86-N103 PolarHBondContact O-N 2.76Å; K86-S104 PolarHBondContact NZ-O 3.21Å; K86-D109 WeakPolarHBondContact CE-OD2 3.28Å; K86-D109 IonicContact NZ-OD2 2.93Å; K86-D109 PolarHBondContact NZ-OD2 3.1Å
87	A	98.3	Very high	97.6	Very high	3 Å²	3	63.2 Å²	63.2	3%	0.025	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	144.9	180	0	0	0	0	0	111.2	I67 Y79 F83 M100 Q101 L102	I67-A87 HydrophobicContact CG2-CB 3.74Å; Y79-A87 HydrophobicContact CE1-CB 4.36Å; F83-A87 HydrophobicContact CB-CB 4.32Å; F83-A87 PolarHBondContact O-N 2.98Å; A87-M100 HydrophobicContact CB-CG 4.49Å; A87-Q101 CarbonylContact C-O 3.5Å; A87-Q101 VanDerWaalsContact CA-O 3.3Å; A87-Q101 WeakPolarHBondContact CA-O 3.23Å; A87-L102 HydrophobicContact CB-CD2 3.87Å
88	T	98.5	Very high	97.6	Very high	59 Å²	59	60.2 Å²	60.2	36%	0.362	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	119.7	170.4	-57	0	0	0	0	108.7	T90 M100 Q101	T88-T90 HydrophobicContact CG2-CG2 4.33Å; T88-M100 WeakPolarHBondContact O-CA 3.31Å; T88-Q101 PolarHBondContact N-O 3.38Å; T88-Q101 PolarHBondContact O-N 2.87Å
89	L	98.8	Very high	97.6	Very high	8 Å²	8	59.6 Å²	59.6	4%	0.042	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.9	178.7	-52.1	-176.6	0	0	0	109.8	W55 I70 T77 Y79 Y99 M100	W55-L89 HydrophobicContact CB-CD2 4.48Å; W55-L89 HydrophobicContact CG-CD2 3.95Å; I70-L89 HydrophobicContact CB-CB 4.01Å; I70-L89 HydrophobicContact CB-CD1 4.3Å; I70-L89 HydrophobicContact CD1-CB 4.15Å; I70-L89 HydrophobicContact CG2-CB 4.28Å; T77-L89 HydrophobicContact CG2-CB 4.06Å; Y79-L89 HydrophobicContact CE1-CD1 4.05Å; Y79-L89 HydrophobicContact CE1-CG 3.7Å; Y79-L89 PolarHBondContact OH-N 2.98Å; L89-Y99 WeakPolarHBondContact CA-O 3.43Å; L89-M100 HydrophobicContact CD2-CB 3.76Å; L89-M100 HydrophobicContact CD2-CG 3.68Å; L89-M100 HydrophobicContact CD2-SD 4.28Å
90	T	98.5	Very high	97.6	Very high	60 Å²	60	56.8 Å²	56.8	37%	0.368	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	161.3	176.8	55.6	0	0	0	0	110.3	T88 Y99	T88-T90 HydrophobicContact CG2-CG2 4.33Å; T90-Y99 PolarHBondContact N-O 2.84Å; T90-Y99 PolarHBondContact O-N 2.88Å
91	V	98.4	Very high	97.7	Very high	38 Å²	38	57.7 Å²	57.7	23%	0.23	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143	179.1	-74.4	0	0	0	0	110	F48 I70 P72 A98	F48-V91 HydrophobicContact CE1-CB 4.47Å; F48-V91 HydrophobicContact CE1-CG1 4.42Å; F48-V91 HydrophobicContact CZ-CG1 4.2Å; I70-V91 HydrophobicContact CD1-CB 4.3Å; I70-V91 HydrophobicContact CD1-CG1 3.65Å; I70-V91 HydrophobicContact CD1-CG2 4.07Å; I70-V91 HydrophobicContact CG1-CG1 3.9Å; I70-V91 HydrophobicContact CG2-CG1 3.93Å; P72-V91 HydrophobicContact CB-CG1 4.14Å; P72-V91 HydrophobicContact CG-CG1 4.36Å; V91-A98 HydrophobicContact CG1-CB 4.21Å
92	D	98.1	Very high	97.7	Very high	56 Å²	56	49.3 Å²	49.3	30%	0.299	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	103.8	163.5	173.1	10.6	0	0	0	107.7	S94 S95 S96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.29Å; D92-S94 PolarHBondContact O-N 2.95Å; D92-S94 WeakPolarHBondContact OD1-CB 3.11Å; D92-S94 PolarHBondContact OD1-N 3.12Å; D92-S94 PolarHBondContact OD1-OG 3.3Å; D92-S95 WeakPolarHBondContact OD2-CB 3.43Å; D92-S95 PolarHBondContact OD2-OG 3.36Å; D92-S96 PolarHBondContact O-N 3.29Å; D92-T97 PolarHBondContact N-O 3.26Å; D92-T97 PolarHBondContact O-N 2.92Å; D92-Y99 HydrophobicContact CB-CE2 3.94Å
93	Q	97.3	Very high	97.8	Very high	98 Å²	98	45.4 Å²	45.4	46%	0.458	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-31.4	-178.2	-65.3	-176.5	29.9	0	0	111.9	P72 N73 S95 S96	P72-Q93 VanDerWaalsContact O-CD 3.27Å; P72-Q93 WeakPolarHBondContact O-CG 3.06Å; P72-Q93 PolarHBondContact O-NE2 3.2Å; N73-Q93 PolarHBondContact O-NE2 3.38Å; Q93-S95 VanDerWaalsContact C-N 3.28Å; Q93-S95 PolarHBondContact O-N 2.97Å; Q93-S96 PolarHBondContact O-N 2.98Å
94	S	97.2	Very high	97.7	Very high	110 Å²	110	49 Å²	49	77%	0.769	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-31.9	-176.5	73.4	0	0	0	0	112.7	D92	D92-S94 VanDerWaalsContact C-N 3.29Å; D92-S94 PolarHBondContact O-N 2.95Å; D92-S94 WeakPolarHBondContact OD1-CB 3.11Å; D92-S94 PolarHBondContact OD1-N 3.12Å; D92-S94 PolarHBondContact OD1-OG 3.3Å
95	S	97.8	Very high	97.8	Very high	36 Å²	36	42 Å²	42	25%	0.252	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	4.1	178.8	67.7	0	0	0	0	113.4	D92 Q93 T97	D92-S95 WeakPolarHBondContact OD2-CB 3.43Å; D92-S95 PolarHBondContact OD2-OG 3.36Å; Q93-S95 VanDerWaalsContact C-N 3.28Å; Q93-S95 PolarHBondContact O-N 2.97Å; S95-T97 PolarHBondContact O-N 3.45Å; S95-T97 PolarHBondContact O-OG1 3.23Å; S95-T97 WeakPolarHBondContact OG-CB 3.4Å; S95-T97 PolarHBondContact OG-OG1 2.63Å
96	S	98	Very high	97.8	Very high	38 Å²	38	42.1 Å²	42.1	27%	0.266	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	40.9	-172.5	-62	0	0	0	0	113.1	A43 F48 D92 Q93	A43-S96 PolarHBondContact N-O 3.02Å; A43-S96 WeakPolarHBondContact O-CB 3.44Å; F48-S96 VanDerWaalsContact CD1-CA 3.47Å; D92-S96 PolarHBondContact O-N 3.29Å; Q93-S96 PolarHBondContact O-N 2.98Å
97	T	98.6	Very high	97.7	Very high	9 Å²	9	45.2 Å²	45.2	6%	0.055	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.4	-172.6	-54.8	0	0	0	0	111.6	C41 K42 D92 S95 Y99	C41-T97 WeakPolarHBondContact O-CA 3.17Å; K42-T97 HydrophobicContact CB-CG2 4.43Å; D92-T97 PolarHBondContact N-O 3.26Å; D92-T97 PolarHBondContact O-N 2.92Å; S95-T97 PolarHBondContact O-N 3.45Å; S95-T97 PolarHBondContact O-OG1 3.23Å; S95-T97 WeakPolarHBondContact OG-CB 3.4Å; S95-T97 PolarHBondContact OG-OG1 2.63Å; T97-Y99 HydrophobicContact CG2-CD1 4.28Å; T97-Y99 HydrophobicContact CG2-CD2 4.36Å; T97-Y99 HydrophobicContact CG2-CE1 3.7Å; T97-Y99 HydrophobicContact CG2-CE2 3.75Å
98	A	98.7	Very high	97.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	150.8	167.1	0	0	0	0	0	109.9	S40 C41 F48 M53 W55 V91	S40-A98 CarbonylContact C-O 3.49Å; S40-A98 WeakPolarHBondContact CA-O 3.38Å; C41-A98 PolarHBondContact N-O 2.84Å; C41-A98 PolarHBondContact O-N 3Å; F48-A98 HydrophobicContact CE2-CB 4.45Å; F48-A98 HydrophobicContact CZ-CB 4.05Å; M53-A98 HydrophobicContact CB-CB 4.08Å; M53-A98 HydrophobicContact CE-CB 4.36Å; M53-A98 HydrophobicContact CG-CB 3.68Å; W55-A98 HydrophobicContact CZ2-CB 4.11Å; V91-A98 HydrophobicContact CG1-CB 4.21Å
99	Y	98.8	Very high	97.3	Very high	51 Å²	51	50.5 Å²	50.5	20%	0.2	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.7	176.2	-54.5	-90.8	0	0	0	111.3	K38 I39 S40 L89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.32Å; K38-Y99 VanDerWaalsContact CE-CG 3.43Å; K38-Y99 HydrophobicContact CG-CD1 4.24Å; I39-Y99 CarbonylContact O-C 3.56Å; I39-Y99 WeakPolarHBondContact O-CA 3.38Å; S40-Y99 VanDerWaalsContact CB-CE1 3.48Å; L89-Y99 WeakPolarHBondContact CA-O 3.43Å; T90-Y99 PolarHBondContact N-O 2.84Å; T90-Y99 PolarHBondContact O-N 2.88Å; D92-Y99 HydrophobicContact CB-CE2 3.94Å; T97-Y99 HydrophobicContact CG2-CD1 4.28Å; T97-Y99 HydrophobicContact CG2-CD2 4.36Å; T97-Y99 HydrophobicContact CG2-CE1 3.7Å; T97-Y99 HydrophobicContact CG2-CE2 3.75Å
100	M	98.7	Very high	97.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	118.8	166.4	177	178.8	68.6	0	0	108.9	I39 W55 I67 A87 T88 L89 L102 Y113	I39-M100 HydrophobicContact CD1-CE 3.75Å; I39-M100 PolarHBondContact N-O 2.96Å; I39-M100 PolarHBondContact O-N 2.9Å; W55-M100 HydrophobicContact CB-SD 3.86Å; W55-M100 HydrophobicContact CD2-CB 3.64Å; W55-M100 HydrophobicContact CD2-CE 4.4Å; W55-M100 HydrophobicContact CD2-CG 4.4Å; W55-M100 HydrophobicContact CD2-SD 4.05Å; W55-M100 HydrophobicContact CE3-CB 3.76Å; W55-M100 HydrophobicContact CE3-CE 3.73Å; W55-M100 HydrophobicContact CE3-SD 3.98Å; W55-M100 HydrophobicContact CG-CB 4.22Å; W55-M100 HydrophobicContact CG-SD 4.04Å; W55-M100 HydrophobicContact CH2-CB 4Å; W55-M100 HydrophobicContact CZ2-CB 3.9Å; W55-M100 HydrophobicContact CZ3-CB 3.94Å; W55-M100 HydrophobicContact CZ3-CE 4.21Å; I67-M100 HydrophobicContact CD1-CE 4.04Å; I67-M100 HydrophobicContact CD1-SD 3.54Å; I67-M100 VanDerWaalsContact CD1-SD 3.54Å; I67-M100 HydrophobicContact CG2-SD 4.02Å; A87-M100 HydrophobicContact CB-CG 4.49Å; T88-M100 WeakPolarHBondContact O-CA 3.31Å; L89-M100 HydrophobicContact CD2-CB 3.76Å; L89-M100 HydrophobicContact CD2-CG 3.68Å; L89-M100 HydrophobicContact CD2-SD 4.28Å; M100-L102 HydrophobicContact CE-CD1 4.08Å; M100-L102 HydrophobicContact CE-CG 4.31Å; M100-L102 HydrophobicContact CG-CG 4.45Å; M100-L102 HydrophobicContact SD-CD2 4.42Å; M100-Y113 HydrophobicContact CE-CD1 3.52Å; M100-Y113 HydrophobicContact CE-CE1 4.22Å; M100-Y113 HydrophobicContact CE-CG 3.92Å
101	Q	98.5	Very high	97	Very high	71 Å²	71	52.8 Å²	52.8	33%	0.332	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128.1	170.8	-177.5	172.2	-31.6	0	0	109.8	V37 A87 T88 N103	V37-Q101 CarbonylContact O-C 3.56Å; V37-Q101 VanDerWaalsContact O-CA 3.28Å; V37-Q101 WeakPolarHBondContact O-CA 3.34Å; A87-Q101 CarbonylContact C-O 3.5Å; A87-Q101 VanDerWaalsContact CA-O 3.3Å; A87-Q101 WeakPolarHBondContact CA-O 3.23Å; T88-Q101 PolarHBondContact N-O 3.38Å; T88-Q101 PolarHBondContact O-N 2.87Å; Q101-N103 PolarHBondContact NE2-OD1 2.87Å
102	L	98.2	Very high	96.9	Very high	0 Å²	0	54 Å²	54	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.8	172.5	-65.4	164.5	0	0	0	108.7	S36 V37 K86 A87 M100 L105 Y113	S36-L102 CarbonylContact C-O 3.46Å; S36-L102 WeakPolarHBondContact CA-O 3.44Å; S36-L102 WeakPolarHBondContact CB-O 3.41Å; V37-L102 HydrophobicContact CG1-CB 3.98Å; V37-L102 HydrophobicContact CG1-CD1 4.22Å; V37-L102 PolarHBondContact N-O 3.03Å; V37-L102 PolarHBondContact O-N 3.05Å; K86-L102 HydrophobicContact CG-CD2 4.36Å; K86-L102 WeakPolarHBondContact O-CA 3.29Å; A87-L102 HydrophobicContact CB-CD2 3.87Å; M100-L102 HydrophobicContact CE-CD1 4.08Å; M100-L102 HydrophobicContact CE-CG 4.31Å; M100-L102 HydrophobicContact CG-CG 4.45Å; M100-L102 HydrophobicContact SD-CD2 4.42Å; L102-L105 HydrophobicContact CB-CD2 3.74Å; L102-L105 HydrophobicContact CD1-CD2 4.35Å; L102-Y113 HydrophobicContact CD1-CD1 4.14Å; L102-Y113 HydrophobicContact CD1-CD2 4.44Å; L102-Y113 HydrophobicContact CD1-CE1 3.54Å; L102-Y113 HydrophobicContact CD1-CE2 3.92Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.41Å
103	N	96.6	Very high	96.9	Very high	39 Å²	39	52.3 Å²	52.3	21%	0.209	31%	0.309	C	S	.	.			trans	-107.4	154.3	-176	-61.7	-57.4	0	0	0	112.7	S36 K86 Q101 L105	S36-N103 WeakPolarHBondContact OG-CA 3.36Å; S36-N103 PolarHBondContact OG-OD1 3.17Å; K86-N103 VanDerWaalsContact CD-O 3.24Å; K86-N103 WeakPolarHBondContact CD-O 3.39Å; K86-N103 WeakPolarHBondContact CE-O 3.27Å; K86-N103 PolarHBondContact NZ-O 2.86Å; K86-N103 PolarHBondContact O-N 2.76Å; Q101-N103 PolarHBondContact NE2-OD1 2.87Å; N103-L105 PolarHBondContact O-N 3.22Å
104	S	96.4	Very high	96.9	Very high	80 Å²	80	52.3 Å²	52.3	56%	0.559	31%	0.306	S	S	*	.	S	Bend	trans	51.1	51.3	172.1	-53	0	0	0	0	112.7	A35 K86	A35-S104 PolarHBondContact O-N 2.88Å; K86-S104 PolarHBondContact NZ-O 3.21Å
105	L	97	Very high	97	Very high	16 Å²	16	47.8 Å²	47.8	8%	0.084	27%	0.274	C	S	.	.			trans	-60.6	142.2	-170.7	-68.9	165	0	0	0	112.8	V31 G34 A35 V37 L102 N103 D109	V31-L105 HydrophobicContact CG2-CD1 3.39Å; G34-L105 PolarHBondContact N-O 3.25Å; A35-L105 WeakPolarHBondContact O-CB 3.33Å; A35-L105 WeakPolarHBondContact O-CG 3.45Å; A35-L105 PolarHBondContact O-N 3.08Å; V37-L105 HydrophobicContact CB-CD1 4Å; V37-L105 HydrophobicContact CG1-CD1 3.79Å; V37-L105 HydrophobicContact CG1-CD2 4.44Å; L102-L105 HydrophobicContact CB-CD2 3.74Å; L102-L105 HydrophobicContact CD1-CD2 4.35Å; N103-L105 PolarHBondContact O-N 3.22Å; L105-D109 WeakPolarHBondContact CA-OD2 3.31Å; L105-D109 HydrophobicContact CD2-CB 3.56Å
106	T	95.9	Very high	97	Very high	70 Å²	70	48 Å²	48	43%	0.429	28%	0.278	S	S	.	.			trans	-117.8	174.3	172.6	71.6	0	0	0	0	110.1	E108 D109	T106-E108 PolarHBondContact O-N 2.78Å; T106-E108 PolarHBondContact OG1-N 3.34Å; T106-D109 PolarHBondContact N-OD2 3.18Å; T106-D109 WeakPolarHBondContact O-CB 3Å; T106-D109 PolarHBondContact O-N 2.89Å
107	S	93.5	Very high	96.7	Very high	107 Å²	107	50.5 Å²	50.5	75%	0.748	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-58.7	-25.8	173.6	52.2	0	0	0	0	113.1	D109 S110	S107-D109 PolarHBondContact O-N 2.89Å; S107-S110 WeakPolarHBondContact O-CB 3.46Å; S107-S110 PolarHBondContact O-N 3.47Å
108	E	92.8	Very high	96.6	Very high	154 Å²	154	52.6 Å²	52.6	72%	0.72	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-71.4	-17.8	176.6	-60.9	-177	179.7	0	0	112.9	K57 T106 S110	K57-E108 PolarHBondContact NZ-O 2.98Å; T106-E108 PolarHBondContact O-N 2.78Å; T106-E108 PolarHBondContact OG1-N 3.34Å; E108-S110 VanDerWaalsContact C-N 3.31Å
109	D	95.2	Very high	96.5	Very high	19 Å²	19	55.4 Å²	55.4	10%	0.102	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-84.8	-4.5	175.9	-62.1	-51.3	0	0	0	113.2	K57 K86 L105 T106 S107 A111 Y113	K57-D109 IonicContact NZ-OD1 2.62Å; K86-D109 WeakPolarHBondContact CE-OD2 3.28Å; K86-D109 IonicContact NZ-OD2 2.93Å; K86-D109 PolarHBondContact NZ-OD2 3.1Å; L105-D109 WeakPolarHBondContact CA-OD2 3.31Å; L105-D109 HydrophobicContact CD2-CB 3.56Å; T106-D109 PolarHBondContact N-OD2 3.18Å; T106-D109 WeakPolarHBondContact O-CB 3Å; T106-D109 PolarHBondContact O-N 2.89Å; S107-D109 PolarHBondContact O-N 2.89Å; D109-A111 PolarHBondContact O-N 2.92Å; D109-Y113 WeakPolarHBondContact O-CE2 3.34Å; D109-Y113 PolarHBondContact O-OH 2.95Å
110	S	95.1	Very high	96.4	Very high	92 Å²	92	55.6 Å²	55.6	64%	0.643	31%	0.314	S	S	*	.			trans	-68.4	99.6	172.5	-176.5	0	0	0	0	110.2	S107 E108	S107-S110 WeakPolarHBondContact O-CB 3.46Å; S107-S110 PolarHBondContact O-N 3.47Å; E108-S110 VanDerWaalsContact C-N 3.31Å
111	A	96.4	Very high	96.2	Very high	25 Å²	25	58.9 Å²	58.9	21%	0.207	33%	0.333	C	S	.	.	S	Bend	trans	-157.7	169.9	-173.7	0	0	0	0	0	110.8	K57 Q58 D109 Y113	K57-A111 HydrophobicContact CD-CB 4.18Å; K57-A111 VanDerWaalsContact CE-CB 3.45Å; K57-A111 HydrophobicContact CG-CB 3.66Å; Q58-A111 WeakPolarHBondContact O-CB 3.46Å; D109-A111 PolarHBondContact O-N 2.92Å; A111-Y113 HydrophobicContact CB-CE2 3.99Å; A111-Y113 WeakPolarHBondContact O-CD2 3.27Å
112	V	96.7	Very high	96.1	Very high	63 Å²	63	58.1 Å²	58.1	38%	0.382	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	136.5	165.4	-169.3	0	0	0	0	108.6	Q58 Y114	Q58-V112 PolarHBondContact N-O 3.44Å; Q58-V112 PolarHBondContact O-N 2.83Å; V112-Y114 HydrophobicContact CB-CE2 3.91Å; V112-Y114 HydrophobicContact CG1-CD1 4.49Å; V112-Y114 HydrophobicContact CG1-CD2 4.28Å; V112-Y114 HydrophobicContact CG1-CE1 3.83Å; V112-Y114 HydrophobicContact CG1-CE2 3.56Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.12Å
113	Y	97.8	Very high	95.9	Very high	21 Å²	21	62 Å²	62	8%	0.082	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.9	178.3	-67.9	-88.8	0	0	0	109.5	Q25 I39 V56 K57 I67 M100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 3.02Å; Q25-Y113 PolarHBondContact OE1-O 3.39Å; I39-Y113 HydrophobicContact CD1-CD2 4.04Å; I39-Y113 HydrophobicContact CD1-CG 3.92Å; V56-Y113 WeakPolarHBondContact O-CA 3.33Å; K57-Y113 HydrophobicContact CB-CD1 4.05Å; K57-Y113 HydrophobicContact CB-CE1 3.82Å; K57-Y113 HydrophobicContact CD-CE1 3.93Å; K57-Y113 HydrophobicContact CG-CD1 4.21Å; K57-Y113 HydrophobicContact CG-CE1 3.69Å; I67-Y113 HydrophobicContact CD1-CD1 3.65Å; I67-Y113 HydrophobicContact CD1-CE1 3.83Å; M100-Y113 HydrophobicContact CE-CD1 3.52Å; M100-Y113 HydrophobicContact CE-CE1 4.22Å; M100-Y113 HydrophobicContact CE-CG 3.92Å; L102-Y113 HydrophobicContact CD1-CD1 4.14Å; L102-Y113 HydrophobicContact CD1-CD2 4.44Å; L102-Y113 HydrophobicContact CD1-CE1 3.54Å; L102-Y113 HydrophobicContact CD1-CE2 3.92Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.41Å; D109-Y113 WeakPolarHBondContact O-CE2 3.34Å; D109-Y113 PolarHBondContact O-OH 2.95Å; A111-Y113 HydrophobicContact CB-CE2 3.99Å; A111-Y113 WeakPolarHBondContact O-CD2 3.27Å
114	Y	97.7	Very high	95.9	Very high	98 Å²	98	63.6 Å²	63.6	38%	0.384	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.4	-177.7	-60.8	-79	0	0	0	110.5	W55 V56 Q58 V112	W55-Y114 CarbonylContact C-O 3.55Å; W55-Y114 WeakPolarHBondContact CA-O 3.43Å; V56-Y114 PolarHBondContact N-O 3.43Å; V56-Y114 PolarHBondContact O-N 2.9Å; Q58-Y114 HydrophobicContact CB-CD2 4.31Å; Q58-Y114 HydrophobicContact CB-CE2 3.78Å; Q58-Y114 VanDerWaalsContact OE1-CE2 3.25Å; Q58-Y114 PolarHBondContact OE1-OH 2.84Å; V112-Y114 HydrophobicContact CB-CE2 3.91Å; V112-Y114 HydrophobicContact CG1-CD1 4.49Å; V112-Y114 HydrophobicContact CG1-CD2 4.28Å; V112-Y114 HydrophobicContact CG1-CE1 3.83Å; V112-Y114 HydrophobicContact CG1-CE2 3.56Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.12Å
115	C	98.4	Very high	95.9	Very high	15 Å²	15	62.4 Å²	62.4	10%	0.101	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	142.7	158.7	67.8	0	0	0	0	109.3	Q25 C41 M53 N54 W55	Q25-C115 VanDerWaalsContact CG-SG 3.57Å; Q25-C115 PolarHBondContact OE1-SG 2.73Å; C41-C115 HydrophobicContact CB-CB 3.43Å; C41-C115 VanDerWaalsContact CB-CB 3.43Å; C41-C115 WeakPolarHBondContact CB-SG 3.1Å; C41-C115 WeakPolarHBondContact SG-CB 3.22Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 2.89Å; M53-C115 HydrophobicContact CG-CB 4.39Å; M53-C115 HydrophobicContact SD-CB 3.72Å; N54-C115 CarbonylContact O-C 3.59Å; N54-C115 VanDerWaalsContact O-CA 3.27Å; N54-C115 WeakPolarHBondContact O-CA 3.45Å; W55-C115 HydrophobicContact CD2-CB 4.25Å; W55-C115 HydrophobicContact CE3-CB 3.98Å; W55-C115 HydrophobicContact CH2-CB 3.97Å; W55-C115 HydrophobicContact CZ2-CB 4.21Å; W55-C115 HydrophobicContact CZ3-CB 3.83Å
116	A	97.5	Very high	95.8	Very high	40 Å²	40	66.3 Å²	66.3	33%	0.331	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	140.5	176.7	0	0	0	0	0	109.5	N54	N54-A116 HydrophobicContact CB-CB 4.46Å; N54-A116 WeakPolarHBondContact CB-O 3.48Å; N54-A116 PolarHBondContact N-O 3.44Å; N54-A116 PolarHBondContact O-N 2.85Å
117	R	92.1	Very high	95.8	Very high	91 Å²	91	65.9 Å²	65.9	34%	0.343	37%	0.368	S	S	.	.			trans	-84.2	0	169.7	-175.3	179.7	71.5	171.9	-9.1	109.7	L23 Y46 Y51	L23-R117 HydrophobicContact CD1-CB 4.32Å; Y46-R117 VanDerWaalsContact CB-NH1 3.33Å; Y46-R117 VanDerWaalsContact CD1-NH1 3.29Å; Y46-R117 HydrophobicContact CE2-CG 4.36Å; Y51-R117 HydrophobicContact CD1-CG 3.92Å; Y51-R117 HydrophobicContact CD2-CG 4.32Å; Y51-R117 VanDerWaalsContact CG-CD 3.43Å; Y51-R117 HydrophobicContact CG-CG 3.61Å

Retrieved 117 of 117 residues in 117.2 ms (Link to these results)

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