A0A075B5Y6_MOUSE Loading...

Immunoglobulin heavy variable 1-85

AlphaFold DB , UniProt , Accession A0A075B5Y6, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-85, Length 117 aa.

						>A0A075B5Y6_MOUSE|A0A075B5Y6|Ighv1-85
MGWSWIFLFLLSGTAGVHSQVQLQQSGPELVKPGASVKLSCKASGYTFTSYDINWVKQRPGQGLEWIGWIYPRDGSTKYNEKFKGKATLTVDTSSSTAYMELHSLTSEDSAVYFCAR
					

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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	49.8	Very low	59	Low	253 Å²	253	167.6 Å²	167.6	100%	1.246	84%	0.842	S	S	*	*				0	85.8	0	-67.2	150.9	72.7	0	0	106.9
2	G	51.4	Low	59.2	Low	82 Å²	82	162.4 Å²	162.4	85%	0.845	83%	0.833	S	S	*	*			trans	-114.2	123	-172.4	0	0	0	0	0	110.2
3	W	53.8	Low	59.6	Low	230 Å²	230	155.5 Å²	155.5	87%	0.871	83%	0.827	S	S	*	*			trans	-112.1	98.5	171.5	-147.7	-12.6	0	0	0	107.9
4	S	63.2	Low	60	Low	112 Å²	112	153.9 Å²	153.9	78%	0.783	83%	0.826	S	S	*	*			trans	-73.9	120.7	171	-106.1	0	0	0	0	109.2	I6	S4-I6 PolarHBondContact O-N 3.43Å
5	W	61.2	Low	60.3	Low	193 Å²	193	149.7 Å²	149.7	73%	0.731	82%	0.821	S	S	*	*			trans	-87.5	103.3	173	-70.3	65.8	0	0	0	108.7	F7	W5-F7 HydrophobicContact CB-CD2 4.48Å; W5-F7 HydrophobicContact CB-CE2 4.04Å; W5-F7 PolarHBondContact O-N 3.08Å
6	I	69.7	Low	60.5	Low	145 Å²	145	144.1 Å²	144.1	74%	0.744	81%	0.808	S	S	*	*			trans	-78.8	105.8	168	-67.3	167	0	0	0	107	S4 L8	S4-I6 PolarHBondContact O-N 3.43Å; I6-L8 HydrophobicContact CG2-CG 4.05Å; I6-L8 PolarHBondContact O-N 3.45Å
7	F	62.3	Low	60.9	Low	160 Å²	160	144.1 Å²	144.1	70%	0.702	81%	0.812	S	S	*	*			trans	-80.3	99.3	167.2	-70.4	-81	0	0	0	109.1	W5 F9	W5-F7 HydrophobicContact CB-CD2 4.48Å; W5-F7 HydrophobicContact CB-CE2 4.04Å; W5-F7 PolarHBondContact O-N 3.08Å; F7-F9 PolarHBondContact O-N 3.22Å
8	L	60.6	Low	61.3	Low	148 Å²	148	146.2 Å²	146.2	78%	0.775	81%	0.814	S	S	*	*			trans	-81.1	104.7	166.1	-79.6	162.7	0	0	0	108.8	I6 L10	I6-L8 HydrophobicContact CG2-CG 4.05Å; I6-L8 PolarHBondContact O-N 3.45Å; L8-L10 PolarHBondContact O-N 2.78Å
9	F	58.3	Low	62.3	Low	187 Å²	187	142.7 Å²	142.7	82%	0.82	80%	0.8	S	S	*	*			trans	-79.2	104.4	164.7	-86.2	-87.4	0	0	0	109.1	F7 L11	F7-F9 PolarHBondContact O-N 3.22Å; F9-L11 PolarHBondContact O-N 3.34Å
10	L	59.3	Low	63.8	Low	159 Å²	159	142.5 Å²	142.5	83%	0.832	79%	0.793	S	S	*	*			trans	-84.8	104.2	166.6	-71.4	168.1	0	0	0	108.4	L8 S12	L8-L10 PolarHBondContact O-N 2.78Å; L10-S12 PolarHBondContact O-N 2.96Å; L10-S12 VanDerWaalsContact O-N 3.12Å
11	L	59.1	Low	65.2	Low	175 Å²	175	139.1 Å²	139.1	92%	0.916	78%	0.776	S	S	*	*			trans	-74.1	93.9	166.6	-86.9	156.2	0	0	0	108.6	F9 G13	F9-L11 PolarHBondContact O-N 3.34Å; L11-G13 PolarHBondContact O-N 2.74Å; L11-G13 VanDerWaalsContact O-N 3.13Å
12	S	62.1	Low	67.5	Low	105 Å²	105	131.9 Å²	131.9	73%	0.734	74%	0.739	S	S	*	*			trans	-77.7	89.7	167.8	56.6	0	0	0	0	109.5	L10 T14	L10-S12 PolarHBondContact O-N 2.96Å; L10-S12 VanDerWaalsContact O-N 3.12Å; S12-T14 PolarHBondContact O-N 3Å
13	G	64.5	Low	69.7	Low	73 Å²	73	130.4 Å²	130.4	75%	0.753	71%	0.711	S	S	*	*			trans	-76.7	100.5	166.8	0	0	0	0	0	109.9	L11 A15	L11-G13 PolarHBondContact O-N 2.74Å; L11-G13 VanDerWaalsContact O-N 3.13Å; G13-A15 VanDerWaalsContact C-N 3.34Å; G13-A15 PolarHBondContact O-N 3.33Å
14	T	64.9	Low	71.8	Confident	132 Å²	132	126 Å²	126	81%	0.81	70%	0.7	S	S	*	*			trans	-77.7	87.1	168.2	56.7	0	0	0	0	108.6	S12 G16	S12-T14 PolarHBondContact O-N 3Å; T14-G16 PolarHBondContact O-N 2.99Å; T14-G16 VanDerWaalsContact O-N 3.16Å
15	A	64.9	Low	73.5	Confident	91 Å²	91	122.9 Å²	122.9	75%	0.752	67%	0.674	S	S	*	*			trans	-67.6	109.3	161.5	0	0	0	0	0	107.1	G13 V17	G13-A15 VanDerWaalsContact C-N 3.34Å; G13-A15 PolarHBondContact O-N 3.33Å; A15-V17 PolarHBondContact O-N 2.7Å
16	G	63.4	Low	75.2	Confident	60 Å²	60	115.5 Å²	115.5	62%	0.619	65%	0.652	S	S	*	*			trans	-57.2	122.8	173.5	0	0	0	0	0	109.7	T14 H18	T14-G16 PolarHBondContact O-N 2.99Å; T14-G16 VanDerWaalsContact O-N 3.16Å; G16-H18 PolarHBondContact O-N 3.08Å
17	V	66.9	Low	76.5	Confident	144 Å²	144	111 Å²	111	87%	0.873	64%	0.641	S	S	*	*			trans	-77.5	92.8	177.4	-177.1	0	0	0	0	107.9	A15 S19	A15-V17 PolarHBondContact O-N 2.7Å; V17-S19 PolarHBondContact O-N 3.22Å
18	H	67.6	Low	78.2	Confident	182 Å²	182	109.8 Å²	109.8	84%	0.843	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-75.3	119.6	165	-72.3	-70.6	0	0	0	108.6	G16 Q20	G16-H18 PolarHBondContact O-N 3.08Å; H18-Q20 PolarHBondContact O-N 3.25Å
19	S	80.1	Confident	79.9	Confident	80 Å²	80	108.1 Å²	108.1	56%	0.559	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-73.6	129	173.7	-168.3	0	0	0	0	110.1	V17 G45	V17-S19 PolarHBondContact O-N 3.22Å; S19-G45 WeakPolarHBondContact OG-CA 3.28Å
20	Q	92.2	Very high	81.7	Confident	138 Å²	138	107.4 Å²	107.4	65%	0.645	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-73.7	130	171.4	-170.9	-177	29.5	0	0	109.6	H18 Q22	H18-Q20 PolarHBondContact O-N 3.25Å; Q20-Q22 HydrophobicContact CG-CG 4.27Å
21	V	94.3	Very high	83.5	Confident	73 Å²	73	102.5 Å²	102.5	44%	0.442	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-71.5	128	170.9	175.1	0	0	0	0	108.7	Y46	V21-Y46 HydrophobicContact CG1-CD1 3.81Å; V21-Y46 HydrophobicContact CG1-CE1 3.96Å; V21-Y46 HydrophobicContact CG2-CD1 4.28Å
22	Q	97.1	Very high	85.2	Confident	100 Å²	100	102.5 Å²	102.5	47%	0.467	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.5	142.4	177	-64.2	-176.9	-14.4	0	0	110.7	Q20 A43 S44	Q20-Q22 HydrophobicContact CG-CG 4.27Å; Q22-A43 WeakPolarHBondContact O-CA 3.43Å; Q22-S44 PolarHBondContact N-O 3.18Å; Q22-S44 PolarHBondContact O-N 3.04Å
23	L	97.9	Very high	86.9	Confident	51 Å²	51	103 Å²	103	27%	0.267	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.8	110.8	171.8	-63.5	-179.9	0	0	0	107.7	K42 A43 Y46 I53 R117	L23-K42 WeakPolarHBondContact CA-O 3.24Å; L23-A43 HydrophobicContact CD2-CB 3.79Å; L23-Y46 HydrophobicContact CD2-CE1 4.23Å; L23-I53 HydrophobicContact CD2-CD1 4.42Å; L23-R117 HydrophobicContact CD1-CB 4.29Å
24	Q	98.2	Very high	88.5	Confident	137 Å²	137	102 Å²	102	64%	0.64	60%	0.6	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103	116.3	-179	-179.6	59.7	63.8	0	0	109.9	C41 K42	Q24-C41 WeakPolarHBondContact O-CA 3.41Å; Q24-K42 PolarHBondContact N-O 2.72Å; Q24-K42 PolarHBondContact O-N 2.87Å
25	Q	98.4	Very high	90	Very high	48 Å²	48	97.5 Å²	97.5	22%	0.224	58%	0.576	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.3	157.8	176.8	-70.7	-176.1	-112.2	0	0	112.8	S40 C41 Y113 C115	Q25-S40 CarbonylContact C-O 3.55Å; Q25-S40 WeakPolarHBondContact CA-O 3.47Å; Q25-C41 HydrophobicContact CG-CB 4.33Å; Q25-Y113 PolarHBondContact NE2-O 2.99Å; Q25-Y113 PolarHBondContact OE1-O 3.48Å; Q25-C115 HydrophobicContact CG-CB 4.46Å; Q25-C115 WeakPolarHBondContact CG-SG 3.46Å
26	S	96.8	Very high	91.6	Very high	38 Å²	38	96 Å²	96	27%	0.266	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-59.8	161.1	166.2	50.4	0	0	0	0	111.3	S40	S26-S40 WeakPolarHBondContact CB-OG 3.38Å; S26-S40 PolarHBondContact N-O 2.82Å; S26-S40 PolarHBondContact OG-N 2.85Å
27	G	97.2	Very high	93.3	Very high	50 Å²	50	93.9 Å²	93.9	52%	0.515	54%	0.536	S	S	.	.			trans	-66.9	179.2	179.4	0	0	0	0	0	114.1
28	P	97.4	Very high	94.7	Very high	135 Å²	135	92.2 Å²	92.2	88%	0.877	52%	0.516	S	S	*	.			trans	-65.3	143.8	175.8	28.9	-34.7	0	0	0	111.2
29	E	97.1	Very high	96.2	Very high	112 Å²	112	84.3 Å²	84.3	52%	0.523	48%	0.48	S	S	.	.			trans	-119.8	130.4	-178.2	-69	-68.8	164.9	0	0	110.1	V31 V37 L39	E29-V31 HydrophobicContact CB-CG1 4.46Å; E29-V37 HydrophobicContact CB-CG2 3.67Å; E29-V37 HydrophobicContact CG-CG2 3.57Å; E29-L39 HydrophobicContact CG-CD2 4.16Å
30	L	96.7	Very high	97.1	Very high	173 Å²	173	81.9 Å²	81.9	91%	0.906	46%	0.464	S	S	*	.			trans	-111.2	114.7	171.4	-178.8	65	0	0	0	108.8
31	V	95.8	Very high	97.4	Very high	55 Å²	55	75.3 Å²	75.3	33%	0.333	43%	0.433	S	S	.	.			trans	-128.1	150.1	-172.1	-62.5	0	0	0	0	111.2	E29 A35 V37 L105	E29-V31 HydrophobicContact CB-CG1 4.46Å; V31-A35 HydrophobicContact CB-CB 4.37Å; V31-V37 HydrophobicContact CG1-CB 4.17Å; V31-V37 HydrophobicContact CG1-CG2 4.11Å; V31-L105 HydrophobicContact CG2-CD1 3.56Å
32	K	96.7	Very high	97.6	Very high	175 Å²	175	77.5 Å²	77.5	76%	0.761	44%	0.436	S	S	*	.			trans	-75.5	149.9	175.1	-64.4	-179.6	-177.9	177.9	0	110.2	G34 A35	K32-G34 PolarHBondContact O-N 3.23Å; K32-A35 WeakPolarHBondContact O-CB 3.41Å; K32-A35 PolarHBondContact O-N 3.06Å; K32-A35 VanDerWaalsContact O-N 3.08Å
33	P	96.6	Very high	97.7	Very high	117 Å²	117	73 Å²	73	76%	0.76	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	138.7	169.7	-25.2	34.6	0	0	0	111.7	A35 L105	P33-A35 VanDerWaalsContact C-N 3.27Å; P33-A35 PolarHBondContact O-N 3.47Å; P33-L105 CarbonylContact C-O 3.57Å; P33-L105 WeakPolarHBondContact CA-O 3.17Å
34	G	97.5	Very high	97.6	Very high	51 Å²	51	73.1 Å²	73.1	53%	0.526	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-13.1	-175.6	0	0	0	0	0	115	K32 L105	K32-G34 PolarHBondContact O-N 3.23Å; G34-L105 PolarHBondContact N-O 3.36Å
35	A	98.1	Very high	97.5	Very high	37 Å²	37	67.9 Å²	67.9	31%	0.306	40%	0.404	S	S	.	.			trans	-72.3	166.9	175.6	0	0	0	0	0	112.1	V31 K32 P33 S104 L105	V31-A35 HydrophobicContact CB-CB 4.37Å; K32-A35 WeakPolarHBondContact O-CB 3.41Å; K32-A35 PolarHBondContact O-N 3.06Å; K32-A35 VanDerWaalsContact O-N 3.08Å; P33-A35 VanDerWaalsContact C-N 3.27Å; P33-A35 PolarHBondContact O-N 3.47Å; A35-S104 PolarHBondContact O-N 2.81Å; A35-L105 WeakPolarHBondContact O-CG 3.4Å; A35-L105 PolarHBondContact O-N 3.22Å
36	S	97.9	Very high	97.3	Very high	59 Å²	59	67.6 Å²	67.6	41%	0.413	40%	0.401	S	S	.	.			trans	-107.4	153.1	168.5	-55.7	0	0	0	0	110.3	L102 H103	S36-L102 CarbonylContact C-O 3.57Å; S36-L102 WeakPolarHBondContact CA-O 3.48Å; S36-L102 VanDerWaalsContact CB-O 3.29Å; S36-L102 WeakPolarHBondContact CB-O 3.29Å; S36-H103 WeakPolarHBondContact OG-CA 3.1Å; S36-H103 PolarHBondContact OG-ND1 3.22Å
37	V	98	Very high	97.3	Very high	17 Å²	17	70 Å²	70	10%	0.103	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.9	174.5	76	0	0	0	0	109.8	E29 V31 L39 E101 L102 L105	E29-V37 HydrophobicContact CB-CG2 3.67Å; E29-V37 HydrophobicContact CG-CG2 3.57Å; V31-V37 HydrophobicContact CG1-CB 4.17Å; V31-V37 HydrophobicContact CG1-CG2 4.11Å; V37-L39 HydrophobicContact CG1-CD2 4.34Å; V37-L39 HydrophobicContact CG2-CD2 4.12Å; V37-E101 CarbonylContact O-C 3.51Å; V37-E101 VanDerWaalsContact O-CA 3.29Å; V37-E101 WeakPolarHBondContact O-CA 3.2Å; V37-L102 HydrophobicContact CG1-CB 4.19Å; V37-L102 HydrophobicContact CG1-CD1 4.4Å; V37-L102 PolarHBondContact N-O 3.4Å; V37-L102 PolarHBondContact O-N 2.99Å; V37-L105 HydrophobicContact CB-CD1 3.96Å; V37-L105 HydrophobicContact CG1-CD1 3.69Å
38	K	98.1	Very high	97.2	Very high	108 Å²	108	68 Å²	68	47%	0.47	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	111.3	176.3	-172.5	174.1	-177.2	172.8	0	110.2	Y99 E101	K38-Y99 HydrophobicContact CD-CD1 4.4Å; K38-Y99 HydrophobicContact CG-CD1 4.3Å; K38-E101 HydrophobicContact CB-CG 4.27Å; K38-E101 HydrophobicContact CG-CB 4.46Å
39	L	98.4	Very high	97.3	Very high	16 Å²	16	63.8 Å²	63.8	8%	0.084	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	141.9	176.4	-51.6	-176.5	0	0	0	109.6	E29 V37 W55 Y99 M100 Y113	E29-L39 HydrophobicContact CG-CD2 4.16Å; V37-L39 HydrophobicContact CG1-CD2 4.34Å; V37-L39 HydrophobicContact CG2-CD2 4.12Å; L39-W55 HydrophobicContact CB-CH2 4.03Å; L39-W55 HydrophobicContact CB-CZ3 4.03Å; L39-W55 HydrophobicContact CD1-CZ3 4.41Å; L39-Y99 WeakPolarHBondContact O-CA 3.01Å; L39-M100 HydrophobicContact CD1-CE 3.71Å; L39-M100 PolarHBondContact N-O 3.07Å; L39-M100 PolarHBondContact O-N 2.88Å; L39-Y113 HydrophobicContact CD1-CD2 4.16Å; L39-Y113 HydrophobicContact CD1-CG 3.92Å
40	S	98.6	Very high	97.3	Very high	30 Å²	30	60.8 Å²	60.8	21%	0.21	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.4	174.5	66.9	0	0	0	0	111.2	Q25 S26 A98	Q25-S40 CarbonylContact C-O 3.55Å; Q25-S40 WeakPolarHBondContact CA-O 3.47Å; S26-S40 WeakPolarHBondContact CB-OG 3.38Å; S26-S40 PolarHBondContact N-O 2.82Å; S26-S40 PolarHBondContact OG-N 2.85Å; S40-A98 CarbonylContact C-O 3.58Å
41	C	98.6	Very high	97.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	102.6	172	178	0	0	0	0	109.2	Q24 Q25 W55 T97 A98 C115	Q24-C41 WeakPolarHBondContact O-CA 3.41Å; Q25-C41 HydrophobicContact CG-CB 4.33Å; C41-W55 HydrophobicContact CB-CH2 3.83Å; C41-W55 HydrophobicContact CB-CZ2 3.89Å; C41-T97 WeakPolarHBondContact O-CA 3.24Å; C41-A98 PolarHBondContact N-O 3.38Å; C41-A98 PolarHBondContact O-N 2.84Å; C41-C115 HydrophobicContact CB-CB 3.46Å; C41-C115 VanDerWaalsContact CB-CB 3.46Å; C41-C115 WeakPolarHBondContact CB-SG 3.37Å; C41-C115 WeakPolarHBondContact SG-CB 3.03Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 2.86Å
42	K	98.5	Very high	97.4	Very high	118 Å²	118	57.2 Å²	57.2	51%	0.513	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	125.5	179.6	-176.2	172.6	-177.5	177.5	0	110.3	L23 Q24 T97	L23-K42 WeakPolarHBondContact CA-O 3.24Å; Q24-K42 PolarHBondContact N-O 2.72Å; Q24-K42 PolarHBondContact O-N 2.87Å; K42-T97 HydrophobicContact CB-CG2 4.46Å
43	A	98.2	Very high	97.5	Very high	6 Å²	6	48.9 Å²	48.9	5%	0.05	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	141.7	-179.2	0	0	0	0	0	112.2	Q22 L23 Y46 F48 S96	Q22-A43 WeakPolarHBondContact O-CA 3.43Å; L23-A43 HydrophobicContact CD2-CB 3.79Å; A43-Y46 HydrophobicContact CB-CE1 3.65Å; A43-Y46 VanDerWaalsContact CB-OH 3.24Å; A43-Y46 WeakPolarHBondContact CB-OH 3.04Å; A43-F48 HydrophobicContact CB-CD2 3.35Å; A43-F48 HydrophobicContact CB-CE2 3.73Å; A43-F48 HydrophobicContact CB-CG 4.23Å; A43-S96 PolarHBondContact N-O 2.95Å; A43-S96 WeakPolarHBondContact O-CB 3.48Å
44	S	97.1	Very high	97.6	Very high	54 Å²	54	44.7 Å²	44.7	38%	0.378	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	158.8	170	55.2	0	0	0	0	112.1	Q22 Y46	Q22-S44 PolarHBondContact N-O 3.18Å; Q22-S44 PolarHBondContact O-N 3.04Å; S44-Y46 WeakPolarHBondContact O-CD1 3.29Å
45	G	95.7	Very high	97.6	Very high	27 Å²	27	42.2 Å²	42.2	28%	0.278	24%	0.238	S	C	.	.	S	Bend	trans	80.9	17.3	176.3	0	0	0	0	0	116.2	S19	S19-G45 WeakPolarHBondContact OG-CA 3.28Å
46	Y	94.4	Very high	97.7	Very high	41 Å²	41	41.6 Å²	41.6	16%	0.161	23%	0.23	C	C	.	.	S	Bend	trans	-158.6	168	169.2	67.4	-80.3	0	0	0	110.7	V21 L23 A43 S44 F48 Y51 I53 R117	V21-Y46 HydrophobicContact CG1-CD1 3.81Å; V21-Y46 HydrophobicContact CG1-CE1 3.96Å; V21-Y46 HydrophobicContact CG2-CD1 4.28Å; L23-Y46 HydrophobicContact CD2-CE1 4.23Å; A43-Y46 HydrophobicContact CB-CE1 3.65Å; A43-Y46 VanDerWaalsContact CB-OH 3.24Å; A43-Y46 WeakPolarHBondContact CB-OH 3.04Å; S44-Y46 WeakPolarHBondContact O-CD1 3.29Å; Y46-F48 HydrophobicContact CE2-CD2 4.36Å; Y46-F48 PolarHBondContact O-N 2.81Å; Y46-Y51 AromaticContact CD2-CD2 3.83Å; Y46-Y51 HydrophobicContact CD2-CD2 3.83Å; Y46-Y51 HydrophobicContact CD2-CE2 4.42Å; Y46-Y51 HydrophobicContact CE2-CD2 4.14Å; Y46-I53 WeakPolarHBondContact OH-CD1 3.4Å; Y46-R117 VanDerWaalsContact CZ-CD 3.44Å
47	T	96.1	Very high	97.6	Very high	89 Å²	89	38.9 Å²	38.9	55%	0.546	21%	0.211	S	C	.	.			trans	-69.7	100	170.9	-53	0	0	0	0	109.6	T49 S50	T47-T49 PolarHBondContact O-N 2.8Å; T47-T49 VanDerWaalsContact O-N 3.14Å; T47-S50 WeakPolarHBondContact CB-OG 3.19Å; T47-S50 WeakPolarHBondContact CG2-OG 3.34Å; T47-S50 VanDerWaalsContact O-CB 3.31Å; T47-S50 WeakPolarHBondContact O-CB 3.39Å; T47-S50 PolarHBondContact O-N 2.93Å
48	F	97	Very high	97.6	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.035	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-52.6	-37.5	-175.1	179.9	-123.7	0	0	0	113.5	A43 Y46 S50 I53 P72 V91 S96 A98	A43-F48 HydrophobicContact CB-CD2 3.35Å; A43-F48 HydrophobicContact CB-CE2 3.73Å; A43-F48 HydrophobicContact CB-CG 4.23Å; Y46-F48 HydrophobicContact CE2-CD2 4.36Å; Y46-F48 PolarHBondContact O-N 2.81Å; F48-S50 PolarHBondContact O-N 2.88Å; F48-I53 HydrophobicContact CD2-CD1 4.41Å; F48-I53 HydrophobicContact CE2-CD1 3.85Å; F48-I53 HydrophobicContact CE2-CG1 3.71Å; F48-I53 HydrophobicContact CZ-CG1 4.3Å; F48-P72 HydrophobicContact CD1-CB 3.84Å; F48-P72 HydrophobicContact CD1-CG 4.21Å; F48-P72 HydrophobicContact CD2-CG 4.24Å; F48-P72 HydrophobicContact CE1-CB 3.65Å; F48-P72 HydrophobicContact CE1-CG 3.86Å; F48-P72 HydrophobicContact CE2-CG 3.89Å; F48-P72 HydrophobicContact CG-CB 4.39Å; F48-P72 HydrophobicContact CG-CG 4.41Å; F48-P72 HydrophobicContact CZ-CB 4.03Å; F48-P72 HydrophobicContact CZ-CG 3.68Å; F48-V91 HydrophobicContact CE1-CG2 3.39Å; F48-V91 HydrophobicContact CZ-CG2 3.69Å; F48-S96 VanDerWaalsContact CD1-CA 3.47Å; F48-A98 HydrophobicContact CZ-CB 4.16Å
49	T	97.9	Very high	97.5	Very high	47 Å²	47	38.9 Å²	38.9	29%	0.288	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-76.4	4.9	178.6	60.2	0	0	0	0	115.1	T47 Y71 P72 R73 T93	T47-T49 PolarHBondContact O-N 2.8Å; T47-T49 VanDerWaalsContact O-N 3.14Å; T49-Y71 PolarHBondContact O-OH 2.83Å; T49-P72 HydrophobicContact CG2-CB 4.49Å; T49-R73 WeakPolarHBondContact O-CB 2.99Å; T49-R73 PolarHBondContact O-NE 2.98Å; T49-T93 HydrophobicContact CG2-CG2 4.17Å
50	S	97.1	Very high	97.3	Very high	48 Å²	48	43.6 Å²	43.6	34%	0.336	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-98.2	-9.7	179.1	-64.9	0	0	0	0	113.9	T47 F48	T47-S50 WeakPolarHBondContact CB-OG 3.19Å; T47-S50 WeakPolarHBondContact CG2-OG 3.34Å; T47-S50 VanDerWaalsContact O-CB 3.31Å; T47-S50 WeakPolarHBondContact O-CB 3.39Å; T47-S50 PolarHBondContact O-N 2.93Å; F48-S50 PolarHBondContact O-N 2.88Å
51	Y	96.8	Very high	97.1	Very high	104 Å²	104	46.5 Å²	46.5	41%	0.408	28%	0.276	S	S	.	.	S	Bend	trans	-141	150.1	-176.5	-62.1	-92.3	0	0	0	111.6	Y46 P72 R117	Y46-Y51 AromaticContact CD2-CD2 3.83Å; Y46-Y51 HydrophobicContact CD2-CD2 3.83Å; Y46-Y51 HydrophobicContact CD2-CE2 4.42Å; Y46-Y51 HydrophobicContact CE2-CD2 4.14Å; Y51-P72 WeakPolarHBondContact O-CD 3.5Å; Y51-R117 HydrophobicContact CD1-CG 4.26Å; Y51-R117 VanDerWaalsContact CD2-CZ 3.46Å; Y51-R117 VanDerWaalsContact CE2-CZ 3.43Å; Y51-R117 HydrophobicContact CG-CG 3.93Å; Y51-R117 PolarHBondContact OH-NH2 3.44Å
52	D	98.1	Very high	96.9	Very high	49 Å²	49	51.7 Å²	51.7	26%	0.262	30%	0.3	S	S	.	.			trans	-72.3	152.1	171.5	60	-43.8	0	0	0	111.8	N54 W69 I70 Y71	D52-N54 PolarHBondContact OD2-ND2 2.79Å; D52-W69 HydrophobicContact CB-CB 4.38Å; D52-W69 HydrophobicContact CB-CE3 4.34Å; D52-I70 WeakPolarHBondContact CA-O 3.21Å; D52-Y71 HydrophobicContact CB-CD2 4.43Å
53	I	98.6	Very high	96.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.5	170.2	-55.7	-60.2	0	0	0	108.3	L23 Y46 F48 W69 I70 P72 A98 C115 A116 R117	L23-I53 HydrophobicContact CD2-CD1 4.42Å; Y46-I53 WeakPolarHBondContact OH-CD1 3.4Å; F48-I53 HydrophobicContact CD2-CD1 4.41Å; F48-I53 HydrophobicContact CE2-CD1 3.85Å; F48-I53 HydrophobicContact CE2-CG1 3.71Å; F48-I53 HydrophobicContact CZ-CG1 4.3Å; I53-W69 CarbonylContact O-C 3.6Å; I53-W69 VanDerWaalsContact O-CA 3.24Å; I53-W69 WeakPolarHBondContact O-CA 3.26Å; I53-I70 HydrophobicContact CB-CG2 4.18Å; I53-I70 PolarHBondContact N-O 3Å; I53-I70 PolarHBondContact O-N 3.16Å; I53-P72 HydrophobicContact CG1-CG 4.21Å; I53-A98 HydrophobicContact CB-CB 4.04Å; I53-A98 HydrophobicContact CG1-CB 4.01Å; I53-A98 HydrophobicContact CG2-CB 3.94Å; I53-C115 HydrophobicContact CG2-CB 4.04Å; I53-A116 CarbonylContact C-O 3.56Å; I53-A116 WeakPolarHBondContact CA-O 3.4Å; I53-R117 HydrophobicContact CD1-CB 4.4Å
54	N	98.6	Very high	96.6	Very high	29 Å²	29	54.2 Å²	54.2	16%	0.155	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	140.1	177.2	-74.1	-89.4	0	0	0	110.2	D52 W66 C115 A116	D52-N54 PolarHBondContact OD2-ND2 2.79Å; N54-W66 PolarHBondContact OD1-NE1 3.24Å; N54-C115 CarbonylContact O-C 3.42Å; N54-C115 VanDerWaalsContact O-CA 3.27Å; N54-C115 WeakPolarHBondContact O-CA 3.36Å; N54-A116 HydrophobicContact CB-CB 4.39Å; N54-A116 PolarHBondContact N-O 2.88Å; N54-A116 PolarHBondContact O-N 3.33Å
55	W	98.7	Very high	96.6	Very high	0 Å²	0	53 Å²	53	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.5	172.5	-70.1	91.1	0	0	0	110.2	L39 C41 I67 G68 L89 M100 F114 C115	L39-W55 HydrophobicContact CB-CH2 4.03Å; L39-W55 HydrophobicContact CB-CZ3 4.03Å; L39-W55 HydrophobicContact CD1-CZ3 4.41Å; C41-W55 HydrophobicContact CB-CH2 3.83Å; C41-W55 HydrophobicContact CB-CZ2 3.89Å; W55-I67 HydrophobicContact CB-CB 4.12Å; W55-I67 HydrophobicContact CB-CD1 4.29Å; W55-I67 WeakPolarHBondContact O-CB 3.3Å; W55-I67 PolarHBondContact O-N 3.04Å; W55-G68 PolarHBondContact N-O 2.61Å; W55-L89 HydrophobicContact CG-CD2 4.09Å; W55-M100 HydrophobicContact CB-SD 3.85Å; W55-M100 HydrophobicContact CD2-CB 3.63Å; W55-M100 HydrophobicContact CD2-CE 4.17Å; W55-M100 HydrophobicContact CD2-CG 4.39Å; W55-M100 HydrophobicContact CD2-SD 3.97Å; W55-M100 HydrophobicContact CE3-CB 3.92Å; W55-M100 HydrophobicContact CE3-CE 3.61Å; W55-M100 HydrophobicContact CE3-SD 4.04Å; W55-M100 HydrophobicContact CG-CB 4.16Å; W55-M100 HydrophobicContact CG-SD 3.92Å; W55-M100 HydrophobicContact CH2-CB 4.02Å; W55-M100 HydrophobicContact CZ2-CB 3.77Å; W55-M100 HydrophobicContact CZ3-CB 4.1Å; W55-M100 HydrophobicContact CZ3-CE 4.08Å; W55-F114 WeakPolarHBondContact CA-O 3.25Å; W55-C115 HydrophobicContact CD2-CB 4.34Å; W55-C115 HydrophobicContact CE3-CB 4.18Å; W55-C115 HydrophobicContact CH2-CB 4.21Å; W55-C115 HydrophobicContact CZ2-CB 4.34Å; W55-C115 HydrophobicContact CZ3-CB 4.12Å
56	V	98.4	Very high	96.8	Very high	24 Å²	24	55.6 Å²	55.6	15%	0.145	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.6	-174.9	-174.7	0	0	0	0	109.8	L64 Y113 F114	V56-L64 HydrophobicContact CG1-CB 3.8Å; V56-L64 HydrophobicContact CG1-CD2 3.95Å; V56-L64 HydrophobicContact CG1-CG 4.32Å; V56-Y113 CarbonylContact O-C 3.51Å; V56-Y113 WeakPolarHBondContact O-CA 3.47Å; V56-F114 PolarHBondContact N-O 3.49Å; V56-F114 PolarHBondContact O-N 3.41Å
57	K	97.8	Very high	96.9	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.3	175.4	-175	178	-177.6	176.2	0	110.3	E65 I67 F83 E108 D109 A111 Y113	K57-E65 HydrophobicContact CB-CB 4.42Å; K57-E65 PolarHBondContact N-O 3.28Å; K57-E65 PolarHBondContact O-N 2.94Å; K57-I67 HydrophobicContact CB-CD1 4.07Å; K57-I67 HydrophobicContact CB-CG1 4.22Å; K57-F83 HydrophobicContact CB-CZ 4.47Å; K57-F83 HydrophobicContact CD-CE1 4.05Å; K57-F83 HydrophobicContact CD-CZ 3.88Å; K57-E108 PolarHBondContact NZ-O 2.65Å; K57-D109 IonicContact NZ-OD1 2.93Å; K57-D109 PolarHBondContact NZ-OD1 3.07Å; K57-A111 HydrophobicContact CD-CB 4.22Å; K57-A111 HydrophobicContact CG-CB 3.54Å; K57-Y113 HydrophobicContact CB-CD1 4.13Å; K57-Y113 HydrophobicContact CB-CE1 3.9Å; K57-Y113 HydrophobicContact CD-CE1 3.9Å; K57-Y113 WeakPolarHBondContact CE-OH 3.46Å; K57-Y113 HydrophobicContact CG-CD1 4.24Å; K57-Y113 HydrophobicContact CG-CE1 3.69Å
58	Q	97.7	Very high	97.1	Very high	76 Å²	76	49.4 Å²	49.4	36%	0.355	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	112.5	170.1	-169.2	-178.7	30	0	0	110.3	L64 A111 V112 F114	Q58-L64 HydrophobicContact CB-CD2 3.81Å; Q58-L64 HydrophobicContact CG-CD2 3.95Å; Q58-A111 WeakPolarHBondContact O-CA 3.4Å; Q58-A111 VanDerWaalsContact O-CB 3.26Å; Q58-A111 WeakPolarHBondContact O-CB 3.44Å; Q58-V112 PolarHBondContact N-O 3.37Å; Q58-V112 PolarHBondContact O-N 3.35Å; Q58-F114 HydrophobicContact CB-CD2 4.44Å; Q58-F114 HydrophobicContact CB-CE2 3.85Å
59	R	95.4	Very high	97.1	Very high	50 Å²	50	52.2 Å²	52.2	19%	0.189	30%	0.298	C	S	.	.			trans	-86	149.9	171.4	-62.6	-175.3	-168.8	86.1	-3.6	110.3	G61 Q62 E65 E108 A111	R59-G61 PolarHBondContact O-N 2.9Å; R59-Q62 HydrophobicContact CB-CB 4.04Å; R59-Q62 HydrophobicContact CB-CG 4.04Å; R59-Q62 PolarHBondContact O-N 2.81Å; R59-E65 IonicContact CZ-OE2 3.36Å; R59-E65 IonicContact NH1-OE2 2.77Å; R59-E65 PolarHBondContact NH1-OE2 3.22Å; R59-E65 IonicContact NH2-OE2 3.85Å; R59-E108 PolarHBondContact NE-O 3.23Å; R59-A111 HydrophobicContact CG-CB 4.1Å
60	P	94.3	Very high	97.2	Very high	114 Å²	114	50.1 Å²	50.1	74%	0.74	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	126.7	172.6	-25.3	34.6	0	0	0	111.4	Q62	P60-Q62 PolarHBondContact O-N 2.97Å
61	G	94.8	Very high	97.3	Very high	92 Å²	92	50.5 Å²	50.5	95%	0.948	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	5.7	-179.9	0	0	0	0	0	115.9	R59	R59-G61 PolarHBondContact O-N 2.9Å
62	Q	93.9	Very high	97.3	Very high	108 Å²	108	45.7 Å²	45.7	51%	0.505	26%	0.261	S	S	.	.	S	Bend	trans	-115.9	163.7	176.5	-56.3	-174.4	18.9	0	0	111.7	R59 P60	R59-Q62 HydrophobicContact CB-CB 4.04Å; R59-Q62 HydrophobicContact CB-CG 4.04Å; R59-Q62 PolarHBondContact O-N 2.81Å; P60-Q62 PolarHBondContact O-N 2.97Å
63	G	93.3	Very high	97.3	Very high	59 Å²	59	50.8 Å²	50.8	61%	0.608	28%	0.277	S	S	*	.			trans	-68.7	175.5	174	0	0	0	0	0	113.5
64	L	97	Very high	97.3	Very high	118 Å²	118	55.8 Å²	55.8	62%	0.618	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	133.1	171.8	-64.9	176	0	0	0	110.2	V56 Q58	V56-L64 HydrophobicContact CG1-CB 3.8Å; V56-L64 HydrophobicContact CG1-CD2 3.95Å; V56-L64 HydrophobicContact CG1-CG 4.32Å; Q58-L64 HydrophobicContact CB-CD2 3.81Å; Q58-L64 HydrophobicContact CG-CD2 3.95Å
65	E	97.7	Very high	97.3	Very high	28 Å²	28	56 Å²	56	13%	0.131	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	113.5	177.3	-171.6	170.8	-149.6	0	0	109.2	K57 R59 K82 F83	K57-E65 HydrophobicContact CB-CB 4.42Å; K57-E65 PolarHBondContact N-O 3.28Å; K57-E65 PolarHBondContact O-N 2.94Å; R59-E65 IonicContact CZ-OE2 3.36Å; R59-E65 IonicContact NH1-OE2 2.77Å; R59-E65 PolarHBondContact NH1-OE2 3.22Å; R59-E65 IonicContact NH2-OE2 3.85Å; E65-K82 WeakPolarHBondContact OE1-CD 3.43Å; E65-K82 IonicContact OE1-NZ 3.57Å; E65-K82 PolarHBondContact OE1-NZ 3.32Å; E65-F83 HydrophobicContact CG-CE2 3.85Å; E65-F83 HydrophobicContact CG-CZ 4.23Å
66	W	98.2	Very high	97.2	Very high	82 Å²	82	58 Å²	58	31%	0.311	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	129.4	179	-178.8	80.5	0	0	0	110.6	N54 W69 K78 N80	N54-W66 PolarHBondContact OD1-NE1 3.24Å; W66-W69 HydrophobicContact CZ2-CB 4.22Å; W66-W69 AromaticContact CZ2-CD1 3.44Å; W66-W69 VanDerWaalsContact CZ2-CD1 3.44Å; W66-W69 HydrophobicContact CZ2-CG 4.08Å; W66-K78 HydrophobicContact CH2-CB 4.3Å; W66-K78 HydrophobicContact CH2-CD 4.35Å; W66-K78 HydrophobicContact CH2-CG 4.11Å; W66-N80 HydrophobicContact CE3-CB 3.83Å; W66-N80 HydrophobicContact CZ3-CB 3.99Å; W66-N80 WeakPolarHBondContact O-CB 3.18Å; W66-N80 PolarHBondContact O-ND2 3.46Å
67	I	98.5	Very high	97.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-48.7	-177.6	-61.1	176	0	0	0	110.4	W55 K57 N80 F83 A87 M100 Y113	W55-I67 HydrophobicContact CB-CB 4.12Å; W55-I67 HydrophobicContact CB-CD1 4.29Å; W55-I67 WeakPolarHBondContact O-CB 3.3Å; W55-I67 PolarHBondContact O-N 3.04Å; K57-I67 HydrophobicContact CB-CD1 4.07Å; K57-I67 HydrophobicContact CB-CG1 4.22Å; I67-N80 WeakPolarHBondContact O-CB 3.38Å; I67-N80 PolarHBondContact O-N 2.84Å; I67-F83 HydrophobicContact CB-CD1 4.48Å; I67-F83 HydrophobicContact CB-CD2 4.31Å; I67-F83 HydrophobicContact CB-CG 4.23Å; I67-F83 HydrophobicContact CD1-CE1 4.34Å; I67-F83 HydrophobicContact CG1-CD1 4.09Å; I67-F83 HydrophobicContact CG1-CD2 4.22Å; I67-F83 HydrophobicContact CG1-CE1 3.95Å; I67-F83 HydrophobicContact CG1-CE2 4.08Å; I67-F83 HydrophobicContact CG1-CG 4.22Å; I67-F83 HydrophobicContact CG1-CZ 3.94Å; I67-F83 HydrophobicContact CG2-CB 3.79Å; I67-F83 HydrophobicContact CG2-CD1 3.96Å; I67-F83 HydrophobicContact CG2-CD2 4.3Å; I67-F83 HydrophobicContact CG2-CG 3.75Å; I67-A87 HydrophobicContact CG2-CB 3.95Å; I67-M100 HydrophobicContact CD1-CE 3.98Å; I67-M100 HydrophobicContact CD1-SD 3.6Å; I67-M100 VanDerWaalsContact CD1-SD 3.6Å; I67-M100 HydrophobicContact CG2-SD 3.97Å; I67-Y113 HydrophobicContact CD1-CD1 3.68Å; I67-Y113 HydrophobicContact CD1-CE1 3.8Å
68	G	98.6	Very high	97.3	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.3	173	-169.4	0	0	0	0	0	112.5	W55 K78	W55-G68 PolarHBondContact N-O 2.61Å; G68-K78 CarbonylContact C-O 3.54Å; G68-K78 WeakPolarHBondContact CA-O 3.43Å
69	W	98.7	Very high	97.3	Very high	68 Å²	68	64.4 Å²	64.4	26%	0.258	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	154.3	169.2	62.2	-115.9	0	0	0	110.9	D52 I53 W66 S76 T77 K78 L89	D52-W69 HydrophobicContact CB-CB 4.38Å; D52-W69 HydrophobicContact CB-CE3 4.34Å; I53-W69 CarbonylContact O-C 3.6Å; I53-W69 VanDerWaalsContact O-CA 3.24Å; I53-W69 WeakPolarHBondContact O-CA 3.26Å; W66-W69 HydrophobicContact CZ2-CB 4.22Å; W66-W69 AromaticContact CZ2-CD1 3.44Å; W66-W69 VanDerWaalsContact CZ2-CD1 3.44Å; W66-W69 HydrophobicContact CZ2-CG 4.08Å; W69-S76 VanDerWaalsContact CZ3-O 3.24Å; W69-S76 WeakPolarHBondContact CZ3-O 2.98Å; W69-S76 WeakPolarHBondContact CZ3-OG 3.27Å; W69-T77 VanDerWaalsContact O-CA 3.27Å; W69-T77 WeakPolarHBondContact O-CA 3.29Å; W69-K78 HydrophobicContact CD2-CB 4.03Å; W69-K78 VanDerWaalsContact CE2-CB 3.42Å; W69-K78 HydrophobicContact CG-CB 4.35Å; W69-K78 HydrophobicContact CZ2-CB 3.69Å; W69-K78 HydrophobicContact CZ2-CD 4.45Å; W69-K78 PolarHBondContact N-O 2.6Å; W69-K78 PolarHBondContact O-N 2.77Å; W69-L89 WeakPolarHBondContact O-CD1 3.46Å
70	I	98.7	Very high	97.4	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.015	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.9	167.5	-176.3	162.8	0	0	0	109.5	D52 I53 P72 S76 T77 L89 T90 V91 A98	D52-I70 WeakPolarHBondContact CA-O 3.21Å; I53-I70 HydrophobicContact CB-CG2 4.18Å; I53-I70 PolarHBondContact N-O 3Å; I53-I70 PolarHBondContact O-N 3.16Å; I70-P72 WeakPolarHBondContact O-CD 3.39Å; I70-S76 CarbonylContact C-O 3.51Å; I70-S76 WeakPolarHBondContact CA-O 3.4Å; I70-T77 HydrophobicContact CB-CG2 4.04Å; I70-T77 HydrophobicContact CD1-CG2 3.95Å; I70-T77 HydrophobicContact CG1-CG2 3.86Å; I70-L89 HydrophobicContact CB-CB 4.03Å; I70-L89 HydrophobicContact CB-CD1 4.33Å; I70-L89 HydrophobicContact CD1-CB 4.25Å; I70-L89 HydrophobicContact CG2-CB 4.39Å; I70-T90 VanDerWaalsContact CD1-C 3.48Å; I70-V91 HydrophobicContact CD1-CB 3.89Å; I70-V91 HydrophobicContact CD1-CG1 3.99Å; I70-A98 HydrophobicContact CG2-CB 4.26Å
71	Y	98.6	Very high	97.6	Very high	56 Å²	56	65.1 Å²	65.1	22%	0.22	35%	0.352	C	S	.	.			trans	-95.6	110	174.4	-173.2	-139.5	0	0	0	109.9	T49 D52 R73 D74 G75 S76	T49-Y71 PolarHBondContact O-OH 2.83Å; D52-Y71 HydrophobicContact CB-CD2 4.43Å; Y71-R73 HydrophobicContact CD1-CB 3.86Å; Y71-R73 HydrophobicContact CE1-CB 3.42Å; Y71-R73 VanDerWaalsContact CE1-CB 3.42Å; Y71-R73 HydrophobicContact CE1-CG 4.17Å; Y71-R73 HydrophobicContact CE2-CB 4.19Å; Y71-R73 HydrophobicContact CG-CB 4.41Å; Y71-R73 PolarHBondContact O-N 2.81Å; Y71-R73 VanDerWaalsContact O-N 3.07Å; Y71-R73 PolarHBondContact OH-NE 2.94Å; Y71-R73 VanDerWaalsContact OH-NE 3.12Å; Y71-D74 WeakPolarHBondContact CD1-OD1 3.37Å; Y71-D74 PolarHBondContact O-N 2.92Å; Y71-G75 WeakPolarHBondContact O-CA 3.07Å; Y71-G75 PolarHBondContact O-N 2.77Å; Y71-S76 WeakPolarHBondContact CB-OG 3.38Å; Y71-S76 PolarHBondContact N-O 2.93Å
72	P	98.5	Very high	97.6	Very high	3 Å²	3	68 Å²	68	2%	0.019	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.2	-173.1	-27.4	38.1	0	0	0	115.3	F48 T49 Y51 I53 I70 V91 T93	F48-P72 HydrophobicContact CD1-CB 3.84Å; F48-P72 HydrophobicContact CD1-CG 4.21Å; F48-P72 HydrophobicContact CD2-CG 4.24Å; F48-P72 HydrophobicContact CE1-CB 3.65Å; F48-P72 HydrophobicContact CE1-CG 3.86Å; F48-P72 HydrophobicContact CE2-CG 3.89Å; F48-P72 HydrophobicContact CG-CB 4.39Å; F48-P72 HydrophobicContact CG-CG 4.41Å; F48-P72 HydrophobicContact CZ-CB 4.03Å; F48-P72 HydrophobicContact CZ-CG 3.68Å; T49-P72 HydrophobicContact CG2-CB 4.49Å; Y51-P72 WeakPolarHBondContact O-CD 3.5Å; I53-P72 HydrophobicContact CG1-CG 4.21Å; I70-P72 WeakPolarHBondContact O-CD 3.39Å; P72-V91 HydrophobicContact CB-CG2 3.82Å; P72-V91 HydrophobicContact CG-CG2 4.24Å; P72-T93 WeakPolarHBondContact O-CG2 3.4Å
73	R	98.1	Very high	97.8	Very high	155 Å²	155	63.2 Å²	63.2	59%	0.585	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-44.2	-178.7	-175.8	174.5	-72.2	-120.7	-1.6	112.7	T49 Y71	T49-R73 WeakPolarHBondContact O-CB 2.99Å; T49-R73 PolarHBondContact O-NE 2.98Å; Y71-R73 HydrophobicContact CD1-CB 3.86Å; Y71-R73 HydrophobicContact CE1-CB 3.42Å; Y71-R73 VanDerWaalsContact CE1-CB 3.42Å; Y71-R73 HydrophobicContact CE1-CG 4.17Å; Y71-R73 HydrophobicContact CE2-CB 4.19Å; Y71-R73 HydrophobicContact CG-CB 4.41Å; Y71-R73 PolarHBondContact O-N 2.81Å; Y71-R73 VanDerWaalsContact O-N 3.07Å; Y71-R73 PolarHBondContact OH-NE 2.94Å; Y71-R73 VanDerWaalsContact OH-NE 3.12Å
74	D	97.7	Very high	97.9	Very high	105 Å²	105	66.7 Å²	66.7	56%	0.561	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	-3.6	-172.5	61.4	13.1	0	0	0	113.2	Y71 S76	Y71-D74 WeakPolarHBondContact CD1-OD1 3.37Å; Y71-D74 PolarHBondContact O-N 2.92Å; D74-S76 PolarHBondContact O-N 3.05Å; D74-S76 WeakPolarHBondContact OD1-CB 3.44Å; D74-S76 PolarHBondContact OD1-N 2.91Å; D74-S76 PolarHBondContact OD1-OG 3.34Å
75	G	97.9	Very high	97.8	Very high	34 Å²	34	64.6 Å²	64.6	35%	0.351	32%	0.321	S	S	.	.			trans	73.3	11.2	-178.8	0	0	0	0	0	113.7	Y71	Y71-G75 WeakPolarHBondContact O-CA 3.07Å; Y71-G75 PolarHBondContact O-N 2.77Å
76	S	98.3	Very high	97.8	Very high	43 Å²	43	65.4 Å²	65.4	30%	0.301	32%	0.324	S	S	.	.			trans	-62	143.3	175.8	58.8	0	0	0	0	110.7	W69 I70 Y71 D74	W69-S76 VanDerWaalsContact CZ3-O 3.24Å; W69-S76 WeakPolarHBondContact CZ3-O 2.98Å; W69-S76 WeakPolarHBondContact CZ3-OG 3.27Å; I70-S76 CarbonylContact C-O 3.51Å; I70-S76 WeakPolarHBondContact CA-O 3.4Å; Y71-S76 WeakPolarHBondContact CB-OG 3.38Å; Y71-S76 PolarHBondContact N-O 2.93Å; D74-S76 PolarHBondContact O-N 3.05Å; D74-S76 WeakPolarHBondContact OD1-CB 3.44Å; D74-S76 PolarHBondContact OD1-N 2.91Å; D74-S76 PolarHBondContact OD1-OG 3.34Å
77	T	98.6	Very high	97.8	Very high	58 Å²	58	61.7 Å²	61.7	36%	0.356	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	145.1	-177	59.5	0	0	0	0	111.2	W69 I70 Y79 L89	W69-T77 VanDerWaalsContact O-CA 3.27Å; W69-T77 WeakPolarHBondContact O-CA 3.29Å; I70-T77 HydrophobicContact CB-CG2 4.04Å; I70-T77 HydrophobicContact CD1-CG2 3.95Å; I70-T77 HydrophobicContact CG1-CG2 3.86Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.49Å; T77-L89 HydrophobicContact CG2-CB 4.06Å
78	K	98.4	Very high	97.8	Very high	126 Å²	126	64.3 Å²	64.3	55%	0.548	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	141.9	165.5	-169.8	178.6	179.1	177.8	0	109.3	W66 G68 W69	W66-K78 HydrophobicContact CH2-CB 4.3Å; W66-K78 HydrophobicContact CH2-CD 4.35Å; W66-K78 HydrophobicContact CH2-CG 4.11Å; G68-K78 CarbonylContact C-O 3.54Å; G68-K78 WeakPolarHBondContact CA-O 3.43Å; W69-K78 HydrophobicContact CD2-CB 4.03Å; W69-K78 VanDerWaalsContact CE2-CB 3.42Å; W69-K78 HydrophobicContact CG-CB 4.35Å; W69-K78 HydrophobicContact CZ2-CB 3.69Å; W69-K78 HydrophobicContact CZ2-CD 4.45Å; W69-K78 PolarHBondContact N-O 2.6Å; W69-K78 PolarHBondContact O-N 2.77Å
79	Y	98.6	Very high	97.9	Very high	50 Å²	50	64.7 Å²	64.7	20%	0.196	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	152.3	179.3	-62.7	-93.4	0	0	0	110.6	T77 A87 L89	T77-Y79 WeakPolarHBondContact OG1-CE2 3.49Å; Y79-A87 HydrophobicContact CE1-CB 4.27Å; Y79-A87 VanDerWaalsContact CE1-O 3.25Å; Y79-A87 WeakPolarHBondContact CE1-O 3.2Å; Y79-L89 HydrophobicContact CE1-CD1 4.14Å; Y79-L89 HydrophobicContact CE1-CG 3.71Å; Y79-L89 PolarHBondContact OH-N 2.98Å
80	N	97.7	Very high	97.9	Very high	45 Å²	45	64.1 Å²	64.1	24%	0.241	33%	0.333	C	S	.	.			trans	-69.7	136.7	154.4	-179.1	-28.8	0	0	0	108.4	W66 I67 K82 F83 K84	W66-N80 HydrophobicContact CE3-CB 3.83Å; W66-N80 HydrophobicContact CZ3-CB 3.99Å; W66-N80 WeakPolarHBondContact O-CB 3.18Å; W66-N80 PolarHBondContact O-ND2 3.46Å; I67-N80 WeakPolarHBondContact O-CB 3.38Å; I67-N80 PolarHBondContact O-N 2.84Å; N80-K82 PolarHBondContact O-N 2.02Å; N80-K82 VanDerWaalsContact O-N 3.09Å; N80-K82 PolarHBondContact OD1-N 2.92Å; N80-K82 VanDerWaalsContact OD1-N 3.09Å; N80-F83 HydrophobicContact CB-CD2 4.11Å; N80-F83 PolarHBondContact O-N 2.83Å; N80-K84 PolarHBondContact O-N 2.83Å
81	E	97.4	Very high	97.8	Very high	135 Å²	135	66 Å²	66	63%	0.631	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-54.4	-32.4	-177.7	-67.1	-58.5	148.5	0	0	113.1	F83 K84	E81-F83 PolarHBondContact O-N 2.85Å; E81-K84 WeakPolarHBondContact O-CB 3.45Å; E81-K84 PolarHBondContact O-N 2.82Å; E81-K84 IonicContact OE1-NZ 2.72Å; E81-K84 VanDerWaalsContact OE2-CD 3.29Å; E81-K84 WeakPolarHBondContact OE2-CD 2.98Å; E81-K84 IonicContact OE2-NZ 3.82Å
82	K	95.8	Very high	97.8	Very high	152 Å²	152	65.9 Å²	65.9	66%	0.661	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-62.6	-26.8	176.1	-72.6	177.7	170.5	177	0	114.5	E65 N80	E65-K82 WeakPolarHBondContact OE1-CD 3.43Å; E65-K82 IonicContact OE1-NZ 3.57Å; E65-K82 PolarHBondContact OE1-NZ 3.32Å; N80-K82 PolarHBondContact O-N 2.02Å; N80-K82 VanDerWaalsContact O-N 3.09Å; N80-K82 PolarHBondContact OD1-N 2.92Å; N80-K82 VanDerWaalsContact OD1-N 3.09Å
83	F	97.2	Very high	97.8	Very high	8 Å²	8	69.4 Å²	69.4	4%	0.035	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-106.4	-4.3	-176.8	-66	-88.6	0	0	0	112.8	K57 E65 I67 N80 E81 G85 K86 A87	K57-F83 HydrophobicContact CB-CZ 4.47Å; K57-F83 HydrophobicContact CD-CE1 4.05Å; K57-F83 HydrophobicContact CD-CZ 3.88Å; E65-F83 HydrophobicContact CG-CE2 3.85Å; E65-F83 HydrophobicContact CG-CZ 4.23Å; I67-F83 HydrophobicContact CB-CD1 4.48Å; I67-F83 HydrophobicContact CB-CD2 4.31Å; I67-F83 HydrophobicContact CB-CG 4.23Å; I67-F83 HydrophobicContact CD1-CE1 4.34Å; I67-F83 HydrophobicContact CG1-CD1 4.09Å; I67-F83 HydrophobicContact CG1-CD2 4.22Å; I67-F83 HydrophobicContact CG1-CE1 3.95Å; I67-F83 HydrophobicContact CG1-CE2 4.08Å; I67-F83 HydrophobicContact CG1-CG 4.22Å; I67-F83 HydrophobicContact CG1-CZ 3.94Å; I67-F83 HydrophobicContact CG2-CB 3.79Å; I67-F83 HydrophobicContact CG2-CD1 3.96Å; I67-F83 HydrophobicContact CG2-CD2 4.3Å; I67-F83 HydrophobicContact CG2-CG 3.75Å; N80-F83 HydrophobicContact CB-CD2 4.11Å; N80-F83 PolarHBondContact O-N 2.83Å; E81-F83 PolarHBondContact O-N 2.85Å; F83-G85 PolarHBondContact O-N 3.23Å; F83-K86 PolarHBondContact O-N 3.36Å; F83-A87 HydrophobicContact CB-CB 4.25Å; F83-A87 PolarHBondContact O-N 3.42Å
84	K	96	Very high	97.7	Very high	132 Å²	132	67.1 Å²	67.1	57%	0.574	38%	0.378	S	S	*	.	B	Isolated β-bridge	trans	-61.5	121.2	175.8	-165.4	174.8	-175.3	175.8	0	109.5	N80 E81 K86	N80-K84 PolarHBondContact O-N 2.83Å; E81-K84 WeakPolarHBondContact O-CB 3.45Å; E81-K84 PolarHBondContact O-N 2.82Å; E81-K84 IonicContact OE1-NZ 2.72Å; E81-K84 VanDerWaalsContact OE2-CD 3.29Å; E81-K84 WeakPolarHBondContact OE2-CD 2.98Å; E81-K84 IonicContact OE2-NZ 3.82Å; K84-K86 PolarHBondContact O-N 3.26Å
85	G	95.7	Very high	97.7	Very high	73 Å²	73	63.9 Å²	63.9	75%	0.753	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	-15.5	-174.6	0	0	0	0	0	115.1	F83	F83-G85 PolarHBondContact O-N 3.23Å
86	K	97.5	Very high	97.8	Very high	45 Å²	45	64 Å²	64	20%	0.196	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-38.2	171.3	-173	82.7	178.2	-166.1	0	111.5	F83 K84 L102 H103 S104 D109	F83-K86 PolarHBondContact O-N 3.36Å; K84-K86 PolarHBondContact O-N 3.26Å; K86-L102 WeakPolarHBondContact O-CA 3.49Å; K86-H103 VanDerWaalsContact CD-O 3.24Å; K86-H103 WeakPolarHBondContact CD-O 3.34Å; K86-H103 WeakPolarHBondContact CE-O 3.24Å; K86-H103 PolarHBondContact NZ-O 3.14Å; K86-H103 PolarHBondContact O-CD2 2.93Å; K86-H103 PolarHBondContact O-N 3.04Å; K86-S104 PolarHBondContact NZ-O 2.96Å; K86-D109 WeakPolarHBondContact CE-OD2 3.46Å; K86-D109 IonicContact NZ-OD2 3.61Å; K86-D109 PolarHBondContact NZ-OD2 3.12Å
87	A	98.4	Very high	97.8	Very high	4 Å²	4	62.3 Å²	62.3	3%	0.033	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142.3	-179.1	0	0	0	0	0	111.4	I67 Y79 F83 M100 E101 L102	I67-A87 HydrophobicContact CG2-CB 3.95Å; Y79-A87 HydrophobicContact CE1-CB 4.27Å; Y79-A87 VanDerWaalsContact CE1-O 3.25Å; Y79-A87 WeakPolarHBondContact CE1-O 3.2Å; F83-A87 HydrophobicContact CB-CB 4.25Å; F83-A87 PolarHBondContact O-N 3.42Å; A87-M100 HydrophobicContact CB-CG 4.5Å; A87-E101 CarbonylContact C-O 3.56Å; A87-E101 VanDerWaalsContact CA-O 3.28Å; A87-E101 WeakPolarHBondContact CA-O 3.27Å; A87-L102 HydrophobicContact CB-CD2 3.73Å
88	T	98.6	Very high	97.8	Very high	55 Å²	55	59.6 Å²	59.6	34%	0.337	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.3	170.1	-56.9	0	0	0	0	108.8	T90 E101 H103	T88-T90 HydrophobicContact CG2-CG2 4.22Å; T88-E101 PolarHBondContact N-O 3.17Å; T88-E101 PolarHBondContact O-N 2.86Å; T88-H103 PolarHBondContact OG1-NE2 3.2Å
89	L	98.7	Very high	97.8	Very high	9 Å²	9	56.2 Å²	56.2	5%	0.047	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	131.6	176.6	-53.3	-176.1	0	0	0	110	W55 W69 I70 T77 Y79 Y99 M100	W55-L89 HydrophobicContact CG-CD2 4.09Å; W69-L89 WeakPolarHBondContact O-CD1 3.46Å; I70-L89 HydrophobicContact CB-CB 4.03Å; I70-L89 HydrophobicContact CB-CD1 4.33Å; I70-L89 HydrophobicContact CD1-CB 4.25Å; I70-L89 HydrophobicContact CG2-CB 4.39Å; T77-L89 HydrophobicContact CG2-CB 4.06Å; Y79-L89 HydrophobicContact CE1-CD1 4.14Å; Y79-L89 HydrophobicContact CE1-CG 3.71Å; Y79-L89 PolarHBondContact OH-N 2.98Å; L89-Y99 WeakPolarHBondContact CA-O 3.34Å; L89-M100 HydrophobicContact CD2-CB 3.71Å; L89-M100 HydrophobicContact CD2-CG 3.64Å; L89-M100 HydrophobicContact CD2-SD 4.21Å
90	T	98.6	Very high	97.8	Very high	56 Å²	56	53.9 Å²	53.9	34%	0.344	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	164.8	176.7	57.9	0	0	0	0	110.8	I70 T88 Y99	I70-T90 VanDerWaalsContact CD1-C 3.48Å; T88-T90 HydrophobicContact CG2-CG2 4.22Å; T90-Y99 PolarHBondContact N-O 3.39Å; T90-Y99 PolarHBondContact O-N 2.88Å
91	V	98.4	Very high	97.8	Very high	42 Å²	42	54.8 Å²	54.8	26%	0.255	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	140.3	-177.8	66.8	0	0	0	0	111.2	F48 I70 P72 T93	F48-V91 HydrophobicContact CE1-CG2 3.39Å; F48-V91 HydrophobicContact CZ-CG2 3.69Å; I70-V91 HydrophobicContact CD1-CB 3.89Å; I70-V91 HydrophobicContact CD1-CG1 3.99Å; P72-V91 HydrophobicContact CB-CG2 3.82Å; P72-V91 HydrophobicContact CG-CG2 4.24Å; V91-T93 HydrophobicContact CG2-CG2 4.26Å
92	D	98.2	Very high	97.9	Very high	53 Å²	53	48.4 Å²	48.4	28%	0.283	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	101.7	165.5	175	8.3	0	0	0	108.1	S94 S95 S96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.25Å; D92-S94 PolarHBondContact O-N 2.82Å; D92-S94 WeakPolarHBondContact OD1-CB 3.34Å; D92-S94 PolarHBondContact OD1-N 3.09Å; D92-S94 PolarHBondContact OD1-OG 2.78Å; D92-S95 PolarHBondContact OD1-N 2.85Å; D92-S95 VanDerWaalsContact OD2-CB 3.3Å; D92-S95 WeakPolarHBondContact OD2-CB 3.24Å; D92-S95 PolarHBondContact OD2-OG 2.89Å; D92-S96 PolarHBondContact O-N 2.83Å; D92-S96 VanDerWaalsContact O-N 3.17Å; D92-T97 PolarHBondContact N-O 2.98Å; D92-T97 PolarHBondContact O-N 3.09Å; D92-Y99 HydrophobicContact CB-CE2 3.95Å
93	T	97.6	Very high	98	Very high	77 Å²	77	43.3 Å²	43.3	47%	0.472	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-23.3	-178.5	53.5	0	0	0	0	112.5	T49 P72 V91	T49-T93 HydrophobicContact CG2-CG2 4.17Å; P72-T93 WeakPolarHBondContact O-CG2 3.4Å; V91-T93 HydrophobicContact CG2-CG2 4.26Å
94	S	97.2	Very high	98	Very high	108 Å²	108	46.7 Å²	46.7	76%	0.755	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-34.3	179.7	75.7	0	0	0	0	112.2	D92	D92-S94 VanDerWaalsContact C-N 3.25Å; D92-S94 PolarHBondContact O-N 2.82Å; D92-S94 WeakPolarHBondContact OD1-CB 3.34Å; D92-S94 PolarHBondContact OD1-N 3.09Å; D92-S94 PolarHBondContact OD1-OG 2.78Å
95	S	97.9	Very high	98.1	Very high	36 Å²	36	40.9 Å²	40.9	25%	0.252	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	4.2	178	68	0	0	0	0	113.7	D92 T97	D92-S95 PolarHBondContact OD1-N 2.85Å; D92-S95 VanDerWaalsContact OD2-CB 3.3Å; D92-S95 WeakPolarHBondContact OD2-CB 3.24Å; D92-S95 PolarHBondContact OD2-OG 2.89Å; S95-T97 PolarHBondContact O-N 2.84Å; S95-T97 PolarHBondContact O-OG1 3.5Å; S95-T97 VanDerWaalsContact O-OG1 3.05Å; S95-T97 WeakPolarHBondContact OG-CB 3.41Å; S95-T97 PolarHBondContact OG-OG1 2.9Å
96	S	98.2	Very high	98.1	Very high	37 Å²	37	40.6 Å²	40.6	26%	0.259	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	42.8	-172.8	-62.4	0	0	0	0	113	A43 F48 D92	A43-S96 PolarHBondContact N-O 2.95Å; A43-S96 WeakPolarHBondContact O-CB 3.48Å; F48-S96 VanDerWaalsContact CD1-CA 3.47Å; D92-S96 PolarHBondContact O-N 2.83Å; D92-S96 VanDerWaalsContact O-N 3.17Å
97	T	98.7	Very high	98	Very high	8 Å²	8	43.5 Å²	43.5	5%	0.049	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.1	-173.9	-54.2	0	0	0	0	110.9	C41 K42 D92 S95 Y99	C41-T97 WeakPolarHBondContact O-CA 3.24Å; K42-T97 HydrophobicContact CB-CG2 4.46Å; D92-T97 PolarHBondContact N-O 2.98Å; D92-T97 PolarHBondContact O-N 3.09Å; S95-T97 PolarHBondContact O-N 2.84Å; S95-T97 PolarHBondContact O-OG1 3.5Å; S95-T97 VanDerWaalsContact O-OG1 3.05Å; S95-T97 WeakPolarHBondContact OG-CB 3.41Å; S95-T97 PolarHBondContact OG-OG1 2.9Å; T97-Y99 HydrophobicContact CG2-CD1 4.3Å; T97-Y99 HydrophobicContact CG2-CD2 4.3Å; T97-Y99 HydrophobicContact CG2-CE1 3.73Å; T97-Y99 HydrophobicContact CG2-CE2 3.71Å
98	A	98.7	Very high	97.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	147.2	166.4	0	0	0	0	0	109.5	S40 C41 F48 I53 I70	S40-A98 CarbonylContact C-O 3.58Å; C41-A98 PolarHBondContact N-O 3.38Å; C41-A98 PolarHBondContact O-N 2.84Å; F48-A98 HydrophobicContact CZ-CB 4.16Å; I53-A98 HydrophobicContact CB-CB 4.04Å; I53-A98 HydrophobicContact CG1-CB 4.01Å; I53-A98 HydrophobicContact CG2-CB 3.94Å; I70-A98 HydrophobicContact CG2-CB 4.26Å
99	Y	98.7	Very high	97.6	Very high	56 Å²	56	48.1 Å²	48.1	22%	0.22	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	145.7	176.9	-56	-92.3	0	0	0	110.7	K38 L39 L89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.4Å; K38-Y99 HydrophobicContact CG-CD1 4.3Å; L39-Y99 WeakPolarHBondContact O-CA 3.01Å; L89-Y99 WeakPolarHBondContact CA-O 3.34Å; T90-Y99 PolarHBondContact N-O 3.39Å; T90-Y99 PolarHBondContact O-N 2.88Å; D92-Y99 HydrophobicContact CB-CE2 3.95Å; T97-Y99 HydrophobicContact CG2-CD1 4.3Å; T97-Y99 HydrophobicContact CG2-CD2 4.3Å; T97-Y99 HydrophobicContact CG2-CE1 3.73Å; T97-Y99 HydrophobicContact CG2-CE2 3.71Å
100	M	98.6	Very high	97.5	Very high	0 Å²	0	52 Å²	52	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	120.3	166.3	176.8	177.7	68.6	0	0	108.3	L39 W55 I67 A87 L89 L102 Y113	L39-M100 HydrophobicContact CD1-CE 3.71Å; L39-M100 PolarHBondContact N-O 3.07Å; L39-M100 PolarHBondContact O-N 2.88Å; W55-M100 HydrophobicContact CB-SD 3.85Å; W55-M100 HydrophobicContact CD2-CB 3.63Å; W55-M100 HydrophobicContact CD2-CE 4.17Å; W55-M100 HydrophobicContact CD2-CG 4.39Å; W55-M100 HydrophobicContact CD2-SD 3.97Å; W55-M100 HydrophobicContact CE3-CB 3.92Å; W55-M100 HydrophobicContact CE3-CE 3.61Å; W55-M100 HydrophobicContact CE3-SD 4.04Å; W55-M100 HydrophobicContact CG-CB 4.16Å; W55-M100 HydrophobicContact CG-SD 3.92Å; W55-M100 HydrophobicContact CH2-CB 4.02Å; W55-M100 HydrophobicContact CZ2-CB 3.77Å; W55-M100 HydrophobicContact CZ3-CB 4.1Å; W55-M100 HydrophobicContact CZ3-CE 4.08Å; I67-M100 HydrophobicContact CD1-CE 3.98Å; I67-M100 HydrophobicContact CD1-SD 3.6Å; I67-M100 VanDerWaalsContact CD1-SD 3.6Å; I67-M100 HydrophobicContact CG2-SD 3.97Å; A87-M100 HydrophobicContact CB-CG 4.5Å; L89-M100 HydrophobicContact CD2-CB 3.71Å; L89-M100 HydrophobicContact CD2-CG 3.64Å; L89-M100 HydrophobicContact CD2-SD 4.21Å; M100-L102 HydrophobicContact CE-CD1 3.89Å; M100-L102 HydrophobicContact CE-CD2 4.31Å; M100-L102 HydrophobicContact CE-CG 4.06Å; M100-L102 HydrophobicContact CG-CD2 4.29Å; M100-L102 HydrophobicContact CG-CG 4.26Å; M100-L102 HydrophobicContact SD-CD2 4.04Å; M100-L102 HydrophobicContact SD-CG 4.32Å; M100-Y113 HydrophobicContact CE-CD1 3.61Å; M100-Y113 HydrophobicContact CE-CE1 4.24Å; M100-Y113 HydrophobicContact CE-CG 4.1Å
101	E	98.5	Very high	97.5	Very high	65 Å²	65	50.8 Å²	50.8	30%	0.304	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	127	169.4	-162.8	171.5	165.7	0	0	109.1	V37 K38 A87 T88 H103	V37-E101 CarbonylContact O-C 3.51Å; V37-E101 VanDerWaalsContact O-CA 3.29Å; V37-E101 WeakPolarHBondContact O-CA 3.2Å; K38-E101 HydrophobicContact CB-CG 4.27Å; K38-E101 HydrophobicContact CG-CB 4.46Å; A87-E101 CarbonylContact C-O 3.56Å; A87-E101 VanDerWaalsContact CA-O 3.28Å; A87-E101 WeakPolarHBondContact CA-O 3.27Å; T88-E101 PolarHBondContact N-O 3.17Å; T88-E101 PolarHBondContact O-N 2.86Å; E101-H103 VanDerWaalsContact CD-CE1 3.44Å; E101-H103 IonicContact OE1-CE1 2.93Å; E101-H103 PolarHBondContact OE1-CE1 2.86Å; E101-H103 IonicContact OE1-ND1 3.69Å
102	L	98.2	Very high	97.4	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.9	174.5	-64.2	167.6	0	0	0	108.8	S36 V37 K86 A87 M100 L105 Y113	S36-L102 CarbonylContact C-O 3.57Å; S36-L102 WeakPolarHBondContact CA-O 3.48Å; S36-L102 VanDerWaalsContact CB-O 3.29Å; S36-L102 WeakPolarHBondContact CB-O 3.29Å; V37-L102 HydrophobicContact CG1-CB 4.19Å; V37-L102 HydrophobicContact CG1-CD1 4.4Å; V37-L102 PolarHBondContact N-O 3.4Å; V37-L102 PolarHBondContact O-N 2.99Å; K86-L102 WeakPolarHBondContact O-CA 3.49Å; A87-L102 HydrophobicContact CB-CD2 3.73Å; M100-L102 HydrophobicContact CE-CD1 3.89Å; M100-L102 HydrophobicContact CE-CD2 4.31Å; M100-L102 HydrophobicContact CE-CG 4.06Å; M100-L102 HydrophobicContact CG-CD2 4.29Å; M100-L102 HydrophobicContact CG-CG 4.26Å; M100-L102 HydrophobicContact SD-CD2 4.04Å; M100-L102 HydrophobicContact SD-CG 4.32Å; L102-L105 HydrophobicContact CB-CD2 3.71Å; L102-L105 HydrophobicContact CB-CG 4.4Å; L102-L105 HydrophobicContact CD1-CD2 4.23Å; L102-Y113 HydrophobicContact CD1-CD1 4.19Å; L102-Y113 HydrophobicContact CD1-CE1 3.58Å; L102-Y113 HydrophobicContact CD1-CE2 4.15Å
103	H	98.2	Very high	97.4	Very high	45 Å²	45	51.2 Å²	51.2	21%	0.208	31%	0.308	C	S	.	.			trans	-109.9	155.1	-174.5	-54.6	-68.1	0	0	0	112.4	S36 K86 T88 E101 L105	S36-H103 WeakPolarHBondContact OG-CA 3.1Å; S36-H103 PolarHBondContact OG-ND1 3.22Å; K86-H103 VanDerWaalsContact CD-O 3.24Å; K86-H103 WeakPolarHBondContact CD-O 3.34Å; K86-H103 WeakPolarHBondContact CE-O 3.24Å; K86-H103 PolarHBondContact NZ-O 3.14Å; K86-H103 PolarHBondContact O-CD2 2.93Å; K86-H103 PolarHBondContact O-N 3.04Å; T88-H103 PolarHBondContact OG1-NE2 3.2Å; E101-H103 VanDerWaalsContact CD-CE1 3.44Å; E101-H103 IonicContact OE1-CE1 2.93Å; E101-H103 PolarHBondContact OE1-CE1 2.86Å; E101-H103 IonicContact OE1-ND1 3.69Å; H103-L105 VanDerWaalsContact C-N 3.3Å; H103-L105 PolarHBondContact O-N 3.04Å
104	S	97.4	Very high	97.5	Very high	78 Å²	78	51.4 Å²	51.4	55%	0.545	30%	0.303	S	S	.	.	S	Bend	trans	49.8	48.2	171.5	-56.6	0	0	0	0	113	A35 K86	A35-S104 PolarHBondContact O-N 2.81Å; K86-S104 PolarHBondContact NZ-O 2.96Å
105	L	97.6	Very high	97.5	Very high	11 Å²	11	46.9 Å²	46.9	6%	0.058	27%	0.271	C	S	.	.			trans	-62.9	143.5	-170.2	-70.8	168.7	0	0	0	112.8	V31 P33 G34 A35 V37 L102 H103 D109	V31-L105 HydrophobicContact CG2-CD1 3.56Å; P33-L105 CarbonylContact C-O 3.57Å; P33-L105 WeakPolarHBondContact CA-O 3.17Å; G34-L105 PolarHBondContact N-O 3.36Å; A35-L105 WeakPolarHBondContact O-CG 3.4Å; A35-L105 PolarHBondContact O-N 3.22Å; V37-L105 HydrophobicContact CB-CD1 3.96Å; V37-L105 HydrophobicContact CG1-CD1 3.69Å; L102-L105 HydrophobicContact CB-CD2 3.71Å; L102-L105 HydrophobicContact CB-CG 4.4Å; L102-L105 HydrophobicContact CD1-CD2 4.23Å; H103-L105 VanDerWaalsContact C-N 3.3Å; H103-L105 PolarHBondContact O-N 3.04Å; L105-D109 HydrophobicContact CD2-CB 3.54Å
106	T	96.6	Very high	97.5	Very high	66 Å²	66	47 Å²	47	41%	0.405	27%	0.274	S	S	.	.			trans	-119	175.3	173.8	70.3	0	0	0	0	110.7	E108 D109	T106-E108 PolarHBondContact O-N 3.13Å; T106-E108 PolarHBondContact OG1-N 3.04Å; T106-D109 PolarHBondContact N-OD2 3.5Å; T106-D109 WeakPolarHBondContact O-CB 3.31Å; T106-D109 PolarHBondContact O-N 3.12Å
107	S	94.9	Very high	97.3	Very high	106 Å²	106	50.2 Å²	50.2	74%	0.741	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-59	-27.5	172.8	50.4	0	0	0	0	112.9	D109 S110	S107-D109 PolarHBondContact O-N 3.5Å; S107-S110 WeakPolarHBondContact O-CB 3.39Å; S107-S110 PolarHBondContact O-N 3.29Å
108	E	93.7	Very high	97.2	Very high	138 Å²	138	52.4 Å²	52.4	65%	0.645	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-69.7	-12.1	175.2	-57.9	-176.5	172	0	0	113.3	K57 R59 T106	K57-E108 PolarHBondContact NZ-O 2.65Å; R59-E108 PolarHBondContact NE-O 3.23Å; T106-E108 PolarHBondContact O-N 3.13Å; T106-E108 PolarHBondContact OG1-N 3.04Å
109	D	95.9	Very high	97.1	Very high	18 Å²	18	55.1 Å²	55.1	10%	0.096	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-91.7	-4.4	175.9	-61.9	-47.3	0	0	0	114	K57 K86 L105 T106 S107 A111 Y113	K57-D109 IonicContact NZ-OD1 2.93Å; K57-D109 PolarHBondContact NZ-OD1 3.07Å; K86-D109 WeakPolarHBondContact CE-OD2 3.46Å; K86-D109 IonicContact NZ-OD2 3.61Å; K86-D109 PolarHBondContact NZ-OD2 3.12Å; L105-D109 HydrophobicContact CD2-CB 3.54Å; T106-D109 PolarHBondContact N-OD2 3.5Å; T106-D109 WeakPolarHBondContact O-CB 3.31Å; T106-D109 PolarHBondContact O-N 3.12Å; S107-D109 PolarHBondContact O-N 3.5Å; D109-A111 PolarHBondContact O-N 3.41Å; D109-A111 VanDerWaalsContact O-N 3.08Å; D109-Y113 WeakPolarHBondContact O-CE2 2.99Å; D109-Y113 PolarHBondContact O-OH 3.16Å
110	S	96.6	Very high	97	Very high	91 Å²	91	55.1 Å²	55.1	64%	0.636	31%	0.312	S	S	*	.			trans	-66	106.7	170.6	-175.8	0	0	0	0	110.2	S107	S107-S110 WeakPolarHBondContact O-CB 3.39Å; S107-S110 PolarHBondContact O-N 3.29Å
111	A	97.4	Very high	96.9	Very high	30 Å²	30	58.3 Å²	58.3	25%	0.248	33%	0.331	C	S	.	.	S	Bend	trans	-159.9	166.4	-172.6	0	0	0	0	0	110.7	K57 Q58 R59 D109 Y113	K57-A111 HydrophobicContact CD-CB 4.22Å; K57-A111 HydrophobicContact CG-CB 3.54Å; Q58-A111 WeakPolarHBondContact O-CA 3.4Å; Q58-A111 VanDerWaalsContact O-CB 3.26Å; Q58-A111 WeakPolarHBondContact O-CB 3.44Å; R59-A111 HydrophobicContact CG-CB 4.1Å; D109-A111 PolarHBondContact O-N 3.41Å; D109-A111 VanDerWaalsContact O-N 3.08Å; A111-Y113 HydrophobicContact CB-CD2 4.38Å; A111-Y113 HydrophobicContact CB-CE2 3.83Å
112	V	97.6	Very high	96.8	Very high	77 Å²	77	57.9 Å²	57.9	47%	0.467	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	133.3	159.9	-174.3	0	0	0	0	107.7	Q58 F114	Q58-V112 PolarHBondContact N-O 3.37Å; Q58-V112 PolarHBondContact O-N 3.35Å; V112-F114 HydrophobicContact CB-CE2 4.02Å; V112-F114 HydrophobicContact CB-CZ 4.08Å; V112-F114 HydrophobicContact CG1-CD1 4.32Å; V112-F114 HydrophobicContact CG1-CD2 4.25Å; V112-F114 HydrophobicContact CG1-CE1 3.71Å; V112-F114 HydrophobicContact CG1-CE2 3.62Å; V112-F114 HydrophobicContact CG1-CZ 3.33Å
113	Y	98.2	Very high	96.8	Very high	27 Å²	27	61.7 Å²	61.7	11%	0.106	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.1	176.1	-68.4	-90	0	0	0	108.6	Q25 L39 V56 K57 I67 M100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 2.99Å; Q25-Y113 PolarHBondContact OE1-O 3.48Å; L39-Y113 HydrophobicContact CD1-CD2 4.16Å; L39-Y113 HydrophobicContact CD1-CG 3.92Å; V56-Y113 CarbonylContact O-C 3.51Å; V56-Y113 WeakPolarHBondContact O-CA 3.47Å; K57-Y113 HydrophobicContact CB-CD1 4.13Å; K57-Y113 HydrophobicContact CB-CE1 3.9Å; K57-Y113 HydrophobicContact CD-CE1 3.9Å; K57-Y113 WeakPolarHBondContact CE-OH 3.46Å; K57-Y113 HydrophobicContact CG-CD1 4.24Å; K57-Y113 HydrophobicContact CG-CE1 3.69Å; I67-Y113 HydrophobicContact CD1-CD1 3.68Å; I67-Y113 HydrophobicContact CD1-CE1 3.8Å; M100-Y113 HydrophobicContact CE-CD1 3.61Å; M100-Y113 HydrophobicContact CE-CE1 4.24Å; M100-Y113 HydrophobicContact CE-CG 4.1Å; L102-Y113 HydrophobicContact CD1-CD1 4.19Å; L102-Y113 HydrophobicContact CD1-CE1 3.58Å; L102-Y113 HydrophobicContact CD1-CE2 4.15Å; D109-Y113 WeakPolarHBondContact O-CE2 2.99Å; D109-Y113 PolarHBondContact O-OH 3.16Å; A111-Y113 HydrophobicContact CB-CD2 4.38Å; A111-Y113 HydrophobicContact CB-CE2 3.83Å
114	F	98.3	Very high	96.7	Very high	82 Å²	82	62.9 Å²	62.9	36%	0.36	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139	178.8	-60.4	-78.8	0	0	0	110.1	W55 V56 Q58 V112	W55-F114 WeakPolarHBondContact CA-O 3.25Å; V56-F114 PolarHBondContact N-O 3.49Å; V56-F114 PolarHBondContact O-N 3.41Å; Q58-F114 HydrophobicContact CB-CD2 4.44Å; Q58-F114 HydrophobicContact CB-CE2 3.85Å; V112-F114 HydrophobicContact CB-CE2 4.02Å; V112-F114 HydrophobicContact CB-CZ 4.08Å; V112-F114 HydrophobicContact CG1-CD1 4.32Å; V112-F114 HydrophobicContact CG1-CD2 4.25Å; V112-F114 HydrophobicContact CG1-CE1 3.71Å; V112-F114 HydrophobicContact CG1-CE2 3.62Å; V112-F114 HydrophobicContact CG1-CZ 3.33Å
115	C	98.3	Very high	96.6	Very high	12 Å²	12	61.7 Å²	61.7	8%	0.081	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	142.2	156.5	66.9	0	0	0	0	110.1	Q25 C41 I53 N54 W55	Q25-C115 HydrophobicContact CG-CB 4.46Å; Q25-C115 WeakPolarHBondContact CG-SG 3.46Å; C41-C115 HydrophobicContact CB-CB 3.46Å; C41-C115 VanDerWaalsContact CB-CB 3.46Å; C41-C115 WeakPolarHBondContact CB-SG 3.37Å; C41-C115 WeakPolarHBondContact SG-CB 3.03Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 2.86Å; I53-C115 HydrophobicContact CG2-CB 4.04Å; N54-C115 CarbonylContact O-C 3.42Å; N54-C115 VanDerWaalsContact O-CA 3.27Å; N54-C115 WeakPolarHBondContact O-CA 3.36Å; W55-C115 HydrophobicContact CD2-CB 4.34Å; W55-C115 HydrophobicContact CE3-CB 4.18Å; W55-C115 HydrophobicContact CH2-CB 4.21Å; W55-C115 HydrophobicContact CZ2-CB 4.34Å; W55-C115 HydrophobicContact CZ3-CB 4.12Å
116	A	97.8	Very high	96.5	Very high	39 Å²	39	65.9 Å²	65.9	32%	0.322	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.5	179.2	0	0	0	0	0	110.4	I53 N54	I53-A116 CarbonylContact C-O 3.56Å; I53-A116 WeakPolarHBondContact CA-O 3.4Å; N54-A116 HydrophobicContact CB-CB 4.39Å; N54-A116 PolarHBondContact N-O 2.88Å; N54-A116 PolarHBondContact O-N 3.33Å
117	R	93	Very high	96.5	Very high	105 Å²	105	65.9 Å²	65.9	40%	0.396	37%	0.373	S	S	.	.			trans	-116.4	0	168.3	174.6	-174.5	140.6	-152.8	-6.2	108.1	L23 Y46 Y51 I53	L23-R117 HydrophobicContact CD1-CB 4.29Å; Y46-R117 VanDerWaalsContact CZ-CD 3.44Å; Y51-R117 HydrophobicContact CD1-CG 4.26Å; Y51-R117 VanDerWaalsContact CD2-CZ 3.46Å; Y51-R117 VanDerWaalsContact CE2-CZ 3.43Å; Y51-R117 HydrophobicContact CG-CG 3.93Å; Y51-R117 PolarHBondContact OH-NH2 3.44Å; I53-R117 HydrophobicContact CD1-CB 4.4Å

Retrieved 117 of 117 residues in 242.3 ms (Link to these results)

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