A0A075B5Y2_MOUSE Loading...

Immunoglobulin heavy variable 1-75

AlphaFold DB , UniProt , Accession A0A075B5Y2, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-75, Length 117 aa.

						>A0A075B5Y2_MOUSE|A0A075B5Y2|Ighv1-75
MGWSWIFLFLLSGTAGVHCQVQLQQSGPELVKPGASVKISCKASGYTFTDYYINWVKQRPGQGLEWIGWIFPGSGSTYYNEKFKGKATLTVDKSSSTAYMLLSSLTSEDSAVYFCAR
					

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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	48.5	Very low	60.4	Low	250 Å²	250	171.2 Å²	171.2	100%	1.232	85%	0.852	S	S	*	*				0	98.7	0	-71.3	142.9	73	0	0	106.5
2	G	51.6	Low	60.5	Low	74 Å²	74	165.9 Å²	165.9	76%	0.763	84%	0.844	S	S	*	*			trans	-98	137.2	-163.7	0	0	0	0	0	112.9
3	W	52.9	Low	60.9	Low	252 Å²	252	158.8 Å²	158.8	96%	0.955	84%	0.837	S	S	*	*			trans	-102.5	97.7	164.3	-96.5	-17.8	0	0	0	108.8
4	S	66.9	Low	61.1	Low	115 Å²	115	157 Å²	157	80%	0.804	84%	0.836	S	S	*	*			trans	-70.3	125.6	170.2	-83.7	0	0	0	0	110.6	I6	S4-I6 PolarHBondContact O-N 3.42Å
5	W	62.4	Low	61.2	Low	217 Å²	217	152.9 Å²	152.9	82%	0.822	83%	0.832	S	S	*	*			trans	-78.9	106.4	169.7	-68.3	54.9	0	0	0	108.6	F7	W5-F7 HydrophobicContact CB-CD2 4.47Å; W5-F7 HydrophobicContact CB-CE2 4.08Å; W5-F7 HydrophobicContact CE3-CE2 4.46Å; W5-F7 AromaticContact CE3-CZ 3.94Å; W5-F7 HydrophobicContact CE3-CZ 3.94Å; W5-F7 PolarHBondContact O-N 3.09Å
6	I	72	Confident	61.2	Low	141 Å²	141	147.1 Å²	147.1	72%	0.723	82%	0.819	S	S	*	*			trans	-86.9	102.8	169.3	-67.2	165.8	0	0	0	106.9	S4 L8	S4-I6 PolarHBondContact O-N 3.42Å; I6-L8 HydrophobicContact CG2-CD2 4.41Å; I6-L8 HydrophobicContact CG2-CG 4.14Å; I6-L8 PolarHBondContact O-N 2.78Å
7	F	67	Low	61.3	Low	158 Å²	158	146.3 Å²	146.3	69%	0.693	82%	0.818	S	S	*	*			trans	-76.6	101.7	165.9	-70.4	-81.2	0	0	0	108.7	W5 F9	W5-F7 HydrophobicContact CB-CD2 4.47Å; W5-F7 HydrophobicContact CB-CE2 4.08Å; W5-F7 HydrophobicContact CE3-CE2 4.46Å; W5-F7 AromaticContact CE3-CZ 3.94Å; W5-F7 HydrophobicContact CE3-CZ 3.94Å; W5-F7 PolarHBondContact O-N 3.09Å; F7-F9 PolarHBondContact O-N 3.47Å
8	L	63.4	Low	61.2	Low	149 Å²	149	147.8 Å²	147.8	78%	0.78	82%	0.818	S	S	*	*			trans	-76.7	106.8	168.1	-75	165.4	0	0	0	108.9	I6 L10	I6-L8 HydrophobicContact CG2-CD2 4.41Å; I6-L8 HydrophobicContact CG2-CG 4.14Å; I6-L8 PolarHBondContact O-N 2.78Å; L8-L10 PolarHBondContact O-N 3.33Å
9	F	60.6	Low	61.9	Low	192 Å²	192	145.7 Å²	145.7	84%	0.842	81%	0.813	S	S	*	*			trans	-77.1	103.5	164.3	-82.7	-86.2	0	0	0	109	F7 L11	F7-F9 PolarHBondContact O-N 3.47Å; F9-L11 PolarHBondContact O-N 2.71Å
10	L	58.3	Low	63.4	Low	162 Å²	162	145.4 Å²	145.4	85%	0.848	81%	0.805	S	S	*	*			trans	-78.9	102.6	166.6	-71.2	167.6	0	0	0	108.4	L8 S12	L8-L10 PolarHBondContact O-N 3.33Å; L10-S12 PolarHBondContact O-N 3.3Å; L10-S12 VanDerWaalsContact O-N 3.11Å
11	L	60.9	Low	64.8	Low	173 Å²	173	141.5 Å²	141.5	91%	0.906	79%	0.785	S	S	*	*			trans	-74.2	93.4	164.5	-81.4	160.8	0	0	0	108.3	F9 G13	F9-L11 PolarHBondContact O-N 2.71Å; L11-G13 VanDerWaalsContact C-N 3.29Å; L11-G13 PolarHBondContact O-N 2.9Å
12	S	62.1	Low	67.1	Low	108 Å²	108	133.5 Å²	133.5	76%	0.755	75%	0.745	S	S	*	*			trans	-73.1	86.9	166.3	57.2	0	0	0	0	109	L10 T14	L10-S12 PolarHBondContact O-N 3.3Å; L10-S12 VanDerWaalsContact O-N 3.11Å; S12-T14 PolarHBondContact O-N 3.36Å
13	G	65	Low	69.3	Low	73 Å²	73	132.2 Å²	132.2	75%	0.753	72%	0.72	S	S	*	*			trans	-76.2	99.1	168.7	0	0	0	0	0	110	L11 A15	L11-G13 VanDerWaalsContact C-N 3.29Å; L11-G13 PolarHBondContact O-N 2.9Å; G13-A15 PolarHBondContact O-N 2.95Å; G13-A15 VanDerWaalsContact O-N 3.09Å
14	T	63.9	Low	71.4	Confident	134 Å²	134	125.4 Å²	125.4	82%	0.822	70%	0.699	S	S	*	*			trans	-72.9	97.5	163.7	54.3	0	0	0	0	107.7	S12 G16	S12-T14 PolarHBondContact O-N 3.36Å; T14-G16 VanDerWaalsContact C-N 3.28Å; T14-G16 PolarHBondContact O-N 3.01Å
15	A	62.8	Low	72.9	Confident	95 Å²	95	122.1 Å²	122.1	79%	0.785	67%	0.671	S	S	*	*			trans	-66.8	94.7	164.8	0	0	0	0	0	107.5	G13 V17	G13-A15 PolarHBondContact O-N 2.95Å; G13-A15 VanDerWaalsContact O-N 3.09Å; A15-V17 PolarHBondContact O-N 3.19Å
16	G	60.2	Low	74.6	Confident	60 Å²	60	113.6 Å²	113.6	62%	0.619	64%	0.644	S	S	*	*			trans	-60	124.8	168.3	0	0	0	0	0	108.7	T14 H18	T14-G16 VanDerWaalsContact C-N 3.28Å; T14-G16 PolarHBondContact O-N 3.01Å; G16-H18 PolarHBondContact O-N 3.25Å
17	V	64.2	Low	75.8	Confident	134 Å²	134	109.4 Å²	109.4	81%	0.812	64%	0.636	S	S	*	*			trans	-71.4	96.2	174.3	-175.6	0	0	0	0	107.4	A15 C19	A15-V17 PolarHBondContact O-N 3.19Å; V17-C19 PolarHBondContact O-N 3.22Å
18	H	58.9	Low	77.2	Confident	174 Å²	174	108.3 Å²	108.3	81%	0.806	65%	0.645	S	S	*	*			trans	-72.4	106.2	170.9	-93.3	-75.9	0	0	0	109.2	G16 Q20	G16-H18 PolarHBondContact O-N 3.25Å; H18-Q20 PolarHBondContact O-N 2.98Å
19	C	75.1	Confident	78.8	Confident	107 Å²	107	107.2 Å²	107.2	72%	0.723	64%	0.635	S	S	*	*			trans	-77	69.9	165.9	-67.4	0	0	0	0	109.6	V17	V17-C19 PolarHBondContact O-N 3.22Å
20	Q	90.6	Very high	80.5	Confident	139 Å²	139	106.5 Å²	106.5	65%	0.65	64%	0.639	S	S	*	*			trans	-82.7	125.2	174.5	-174.5	178.8	4.2	0	0	109.8	H18 Q22 G45	H18-Q20 PolarHBondContact O-N 2.98Å; Q20-Q22 PolarHBondContact O-N 2.97Å; Q20-G45 WeakPolarHBondContact O-CA 3.17Å
21	V	93.1	Very high	82.3	Confident	64 Å²	64	101.4 Å²	101.4	39%	0.388	62%	0.615	S	S	.	*			trans	-68.5	124.3	169.3	175.1	0	0	0	0	108.6	Y46	V21-Y46 HydrophobicContact CG1-CD1 3.88Å; V21-Y46 HydrophobicContact CG1-CE1 4.05Å; V21-Y46 HydrophobicContact CG2-CD1 4.46Å
22	Q	96.4	Very high	84	Confident	83 Å²	83	101.4 Å²	101.4	39%	0.388	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.1	140.5	178.8	-177.3	177.6	-9.3	0	0	110.9	Q20 A43 S44	Q20-Q22 PolarHBondContact O-N 2.97Å; Q22-A43 WeakPolarHBondContact O-CA 3.42Å; Q22-S44 PolarHBondContact N-O 2.88Å; Q22-S44 PolarHBondContact O-N 3.02Å
23	L	97.7	Very high	85.6	Confident	47 Å²	47	101.7 Å²	101.7	25%	0.246	61%	0.607	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.1	113.3	168.3	-63.3	-179.8	0	0	0	107.7	K42 A43 Y46 I53 R117	L23-K42 CarbonylContact C-O 3.49Å; L23-K42 WeakPolarHBondContact CA-O 3.38Å; L23-A43 HydrophobicContact CD2-CB 3.94Å; L23-Y46 HydrophobicContact CD2-CE1 4.2Å; L23-Y46 WeakPolarHBondContact CD2-OH 3.4Å; L23-I53 HydrophobicContact CD2-CD1 4.43Å; L23-R117 HydrophobicContact CD1-CB 4.2Å
24	Q	98	Very high	87.2	Confident	109 Å²	109	100.7 Å²	100.7	51%	0.509	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.3	115.4	-179.9	-177.7	59.4	55.1	0	0	110	C41 K42	Q24-C41 WeakPolarHBondContact O-CA 3.41Å; Q24-K42 PolarHBondContact N-O 2.8Å; Q24-K42 PolarHBondContact O-N 2.75Å
25	Q	98.4	Very high	88.8	Confident	46 Å²	46	96 Å²	96	22%	0.215	57%	0.572	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.4	156.7	176.8	-71.1	-175.7	-115.3	0	0	112.8	S40 C41 Y113 C115	Q25-S40 CarbonylContact C-O 3.59Å; Q25-S40 WeakPolarHBondContact CA-O 3.46Å; Q25-C41 HydrophobicContact CG-CB 4.37Å; Q25-Y113 PolarHBondContact NE2-O 3.4Å; Q25-Y113 PolarHBondContact OE1-O 3.3Å; Q25-C115 HydrophobicContact CG-CB 4.47Å; Q25-C115 WeakPolarHBondContact CG-SG 3.43Å
26	S	97.8	Very high	90.5	Very high	38 Å²	38	94.7 Å²	94.7	27%	0.266	56%	0.556	S	S	.	*			trans	-60.2	158.5	165	51.4	0	0	0	0	110.9	I39 S40	S26-I39 WeakPolarHBondContact OG-CG2 3.01Å; S26-S40 WeakPolarHBondContact CB-OG 3.44Å; S26-S40 PolarHBondContact N-O 2.87Å; S26-S40 PolarHBondContact OG-N 3.44Å; S26-S40 VanDerWaalsContact OG-N 3.15Å
27	G	97.4	Very high	92.3	Very high	53 Å²	53	92.6 Å²	92.6	55%	0.546	53%	0.532	S	S	.	.			trans	-67.6	179	-179.4	0	0	0	0	0	114.3
28	P	97.1	Very high	93.9	Very high	135 Å²	135	91.9 Å²	91.9	88%	0.877	52%	0.518	S	S	*	.			trans	-65.3	145.7	175.8	29.3	-35	0	0	0	111.2
29	E	96.9	Very high	95.8	Very high	125 Å²	125	84.4 Å²	84.4	58%	0.584	48%	0.483	S	S	*	.			trans	-126.1	130.4	-177.8	-72	-76.2	-177.6	0	0	109.6	V31 V37	E29-V31 HydrophobicContact CB-CG1 4.43Å; E29-V37 HydrophobicContact CB-CG2 3.71Å; E29-V37 HydrophobicContact CG-CG2 3.64Å
30	L	96.6	Very high	96.9	Very high	177 Å²	177	80.9 Å²	80.9	93%	0.927	46%	0.46	S	S	*	.			trans	-106.9	116.8	170.7	-179.4	65.3	0	0	0	108.7
31	V	95.7	Very high	97.3	Very high	56 Å²	56	74.2 Å²	74.2	34%	0.339	43%	0.429	S	S	.	.			trans	-128.2	150.1	-172.5	-64	0	0	0	0	111.2	E29 A35 V37 L105	E29-V31 HydrophobicContact CB-CG1 4.43Å; V31-A35 HydrophobicContact CB-CB 4.38Å; V31-V37 HydrophobicContact CG1-CB 4.29Å; V31-V37 HydrophobicContact CG1-CG2 4.32Å; V31-L105 HydrophobicContact CB-CD1 4.49Å; V31-L105 HydrophobicContact CG2-CD1 3.55Å
32	K	96.5	Very high	97.5	Very high	173 Å²	173	76.8 Å²	76.8	75%	0.752	44%	0.435	S	S	*	.			trans	-75.9	149.7	174.8	-64.9	-179.2	-178.3	178.4	0	110.2	G34 A35	K32-G34 PolarHBondContact O-N 2.83Å; K32-A35 WeakPolarHBondContact O-CB 3.3Å; K32-A35 PolarHBondContact O-N 2.69Å; K32-A35 VanDerWaalsContact O-N 3.09Å
33	P	96.6	Very high	97.6	Very high	113 Å²	113	73 Å²	73	73%	0.734	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	139.8	169.2	-25.3	34.6	0	0	0	111.6	A35 L105	P33-A35 VanDerWaalsContact C-N 3.26Å; P33-A35 PolarHBondContact O-N 3.04Å; P33-L105 CarbonylContact C-O 3.57Å; P33-L105 WeakPolarHBondContact CA-O 3.32Å
34	G	97.4	Very high	97.5	Very high	53 Å²	53	73.4 Å²	73.4	55%	0.546	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	-14.5	-175.3	0	0	0	0	0	114.9	K32 L105	K32-G34 PolarHBondContact O-N 2.83Å; G34-L105 PolarHBondContact N-O 2.89Å
35	A	98	Very high	97.4	Very high	36 Å²	36	70.3 Å²	70.3	30%	0.298	42%	0.422	S	S	.	.			trans	-73.5	169.4	175.7	0	0	0	0	0	112.2	V31 K32 P33 S104 L105	V31-A35 HydrophobicContact CB-CB 4.38Å; K32-A35 WeakPolarHBondContact O-CB 3.3Å; K32-A35 PolarHBondContact O-N 2.69Å; K32-A35 VanDerWaalsContact O-N 3.09Å; P33-A35 VanDerWaalsContact C-N 3.26Å; P33-A35 PolarHBondContact O-N 3.04Å; A35-S104 PolarHBondContact O-N 2.6Å; A35-L105 WeakPolarHBondContact O-CB 3.12Å; A35-L105 WeakPolarHBondContact O-CG 3.39Å; A35-L105 PolarHBondContact O-N 3.15Å
36	S	97.8	Very high	97.2	Very high	66 Å²	66	70 Å²	70	46%	0.462	42%	0.419	S	S	.	.			trans	-113.3	150.6	172.1	-55.8	0	0	0	0	110.6	L102 S103	S36-L102 CarbonylContact C-O 3.57Å; S36-L102 WeakPolarHBondContact CA-O 3.45Å; S36-L102 VanDerWaalsContact CB-O 3.3Å; S36-L102 WeakPolarHBondContact CB-O 3.36Å; S36-S103 WeakPolarHBondContact OG-CA 3.44Å; S36-S103 WeakPolarHBondContact OG-CB 3.2Å; S36-S103 PolarHBondContact OG-OG 3Å
37	V	97.9	Very high	97.1	Very high	17 Å²	17	72 Å²	72	10%	0.103	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139.9	175.1	74.6	0	0	0	0	110.3	E29 V31 I39 L101 L102 L105	E29-V37 HydrophobicContact CB-CG2 3.71Å; E29-V37 HydrophobicContact CG-CG2 3.64Å; V31-V37 HydrophobicContact CG1-CB 4.29Å; V31-V37 HydrophobicContact CG1-CG2 4.32Å; V37-I39 HydrophobicContact CG1-CG1 4.31Å; V37-L101 WeakPolarHBondContact O-CA 3.5Å; V37-L102 HydrophobicContact CG1-CB 4.15Å; V37-L102 HydrophobicContact CG1-CD1 4.3Å; V37-L102 PolarHBondContact N-O 2.99Å; V37-L102 PolarHBondContact O-N 2.77Å; V37-L105 HydrophobicContact CB-CD1 3.99Å; V37-L105 HydrophobicContact CG1-CD1 3.73Å
38	K	98.1	Very high	97.1	Very high	118 Å²	118	69.8 Å²	69.8	51%	0.513	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	111.8	176.2	-172.2	179.7	-177.4	-177.4	0	109.6	Y99 M100 L101	K38-Y99 HydrophobicContact CD-CD1 4.27Å; K38-Y99 VanDerWaalsContact CE-CG 3.47Å; K38-Y99 HydrophobicContact CG-CD1 4.24Å; K38-M100 WeakPolarHBondContact CA-O 3.36Å; K38-L101 HydrophobicContact CB-CD1 4.19Å
39	I	98.3	Very high	97.2	Very high	17 Å²	17	65.6 Å²	65.6	9%	0.087	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.5	179.2	-49	-179.2	0	0	0	108.4	S26 V37 W55 Y99 M100 L102 Y113	S26-I39 WeakPolarHBondContact OG-CG2 3.01Å; V37-I39 HydrophobicContact CG1-CG1 4.31Å; I39-W55 HydrophobicContact CB-CH2 4.2Å; I39-W55 HydrophobicContact CB-CZ3 4.11Å; I39-W55 HydrophobicContact CG2-CH2 4.02Å; I39-W55 HydrophobicContact CG2-CZ3 3.81Å; I39-Y99 CarbonylContact O-C 3.45Å; I39-Y99 VanDerWaalsContact O-CA 3.23Å; I39-Y99 WeakPolarHBondContact O-CA 3.18Å; I39-M100 HydrophobicContact CD1-CE 3.79Å; I39-M100 PolarHBondContact N-O 2.72Å; I39-M100 PolarHBondContact O-N 3.3Å; I39-L102 HydrophobicContact CD1-CD1 4.36Å; I39-Y113 HydrophobicContact CD1-CD2 4.07Å; I39-Y113 HydrophobicContact CD1-CG 3.92Å
40	S	98.6	Very high	97.2	Very high	33 Å²	33	64.3 Å²	64.3	23%	0.231	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	148.4	174.1	65.9	0	0	0	0	111.3	Q25 S26 A98	Q25-S40 CarbonylContact C-O 3.59Å; Q25-S40 WeakPolarHBondContact CA-O 3.46Å; S26-S40 WeakPolarHBondContact CB-OG 3.44Å; S26-S40 PolarHBondContact N-O 2.87Å; S26-S40 PolarHBondContact OG-N 3.44Å; S26-S40 VanDerWaalsContact OG-N 3.15Å; S40-A98 CarbonylContact C-O 3.55Å
41	C	98.6	Very high	97.2	Very high	0 Å²	0	61 Å²	61	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	101.6	171.1	178.3	0	0	0	0	109.2	Q24 Q25 W55 T97 A98 C115	Q24-C41 WeakPolarHBondContact O-CA 3.41Å; Q25-C41 HydrophobicContact CG-CB 4.37Å; C41-W55 HydrophobicContact CB-CH2 3.81Å; C41-W55 HydrophobicContact CB-CZ2 3.95Å; C41-T97 WeakPolarHBondContact O-CA 3.36Å; C41-A98 PolarHBondContact N-O 3Å; C41-A98 PolarHBondContact O-N 3.09Å; C41-C115 HydrophobicContact CB-CB 3.51Å; C41-C115 WeakPolarHBondContact CB-SG 3.48Å; C41-C115 WeakPolarHBondContact SG-CB 2.98Å; C41-C115 CovalentContact SG-SG 2.03Å; C41-C115 PolarHBondContact SG-SG 2.74Å
42	K	98.4	Very high	97.4	Very high	117 Å²	117	63.7 Å²	63.7	51%	0.509	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126	-179.1	-176.1	174.9	-176.7	179	0	110.3	L23 Q24 T97	L23-K42 CarbonylContact C-O 3.49Å; L23-K42 WeakPolarHBondContact CA-O 3.38Å; Q24-K42 PolarHBondContact N-O 2.8Å; Q24-K42 PolarHBondContact O-N 2.75Å; K42-T97 HydrophobicContact CB-CG2 4.48Å
43	A	98	Very high	97.5	Very high	5 Å²	5	55.4 Å²	55.4	4%	0.041	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	141.5	179.9	0	0	0	0	0	112.2	Q22 L23 Y46 F48 S96	Q22-A43 WeakPolarHBondContact O-CA 3.42Å; L23-A43 HydrophobicContact CD2-CB 3.94Å; A43-Y46 HydrophobicContact CB-CE1 3.6Å; A43-Y46 VanDerWaalsContact CB-OH 3.24Å; A43-Y46 WeakPolarHBondContact CB-OH 3.49Å; A43-F48 HydrophobicContact CB-CB 4.23Å; A43-F48 HydrophobicContact CB-CD2 3.31Å; A43-F48 HydrophobicContact CB-CE2 3.88Å; A43-F48 HydrophobicContact CB-CG 4.02Å; A43-S96 PolarHBondContact N-O 2.97Å; A43-S96 WeakPolarHBondContact O-CB 3.38Å
44	S	96.6	Very high	97.6	Very high	54 Å²	54	51.9 Å²	51.9	38%	0.378	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159	170	56	0	0	0	0	111.7	Q22 Y46	Q22-S44 PolarHBondContact N-O 2.88Å; Q22-S44 PolarHBondContact O-N 3.02Å; S44-Y46 WeakPolarHBondContact O-CD1 3.42Å
45	G	95.2	Very high	97.6	Very high	44 Å²	44	49.4 Å²	49.4	45%	0.454	27%	0.268	S	S	.	.	S	Bend	trans	83.3	11	178.5	0	0	0	0	0	115.3	Q20	Q20-G45 WeakPolarHBondContact O-CA 3.17Å
46	Y	94.2	Very high	97.6	Very high	39 Å²	39	48.8 Å²	48.8	15%	0.153	26%	0.261	C	S	.	.	S	Bend	trans	-160.9	167.7	174.6	69	-80.6	0	0	0	112.1	V21 L23 A43 S44 F48 Y51 I53 R117	V21-Y46 HydrophobicContact CG1-CD1 3.88Å; V21-Y46 HydrophobicContact CG1-CE1 4.05Å; V21-Y46 HydrophobicContact CG2-CD1 4.46Å; L23-Y46 HydrophobicContact CD2-CE1 4.2Å; L23-Y46 WeakPolarHBondContact CD2-OH 3.4Å; A43-Y46 HydrophobicContact CB-CE1 3.6Å; A43-Y46 VanDerWaalsContact CB-OH 3.24Å; A43-Y46 WeakPolarHBondContact CB-OH 3.49Å; S44-Y46 WeakPolarHBondContact O-CD1 3.42Å; Y46-F48 HydrophobicContact CE2-CB 4.45Å; Y46-F48 HydrophobicContact CE2-CD2 4.42Å; Y46-F48 PolarHBondContact O-N 3.26Å; Y46-Y51 AromaticContact CD2-CD2 3.56Å; Y46-Y51 HydrophobicContact CD2-CD2 3.56Å; Y46-Y51 HydrophobicContact CD2-CE2 4.01Å; Y46-Y51 HydrophobicContact CD2-CG 4.36Å; Y46-Y51 AromaticContact CE2-CD2 3.88Å; Y46-Y51 HydrophobicContact CE2-CD2 3.88Å; Y46-Y51 HydrophobicContact CE2-CG 4.3Å; Y46-I53 WeakPolarHBondContact OH-CD1 3.33Å; Y46-R117 VanDerWaalsContact CD1-NH1 3.27Å; Y46-R117 HydrophobicContact CE2-CG 4.37Å; Y46-R117 VanDerWaalsContact CZ-CD 3.44Å
47	T	96.2	Very high	97.6	Very high	80 Å²	80	45.7 Å²	45.7	49%	0.491	24%	0.239	S	C	.	.			trans	-70.4	94.6	171.5	-48.7	0	0	0	0	110.2	T49 D50	T47-T49 WeakPolarHBondContact CG2-OG1 3.5Å; T47-T49 PolarHBondContact O-N 2.93Å; T47-T49 VanDerWaalsContact O-N 3.12Å; T47-D50 WeakPolarHBondContact CB-OD2 3.28Å; T47-D50 HydrophobicContact CG2-CB 4.36Å; T47-D50 VanDerWaalsContact CG2-CG 3.43Å; T47-D50 WeakPolarHBondContact CG2-OD1 3.19Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.39Å; T47-D50 PolarHBondContact O-N 3.1Å; T47-D50 VanDerWaalsContact O-N 3.08Å
48	F	97.2	Very high	97.6	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.035	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-53.8	-33.8	-175.7	174	-118	0	0	0	114	A43 Y46 D50 I53 P72 V91 S96 A98	A43-F48 HydrophobicContact CB-CB 4.23Å; A43-F48 HydrophobicContact CB-CD2 3.31Å; A43-F48 HydrophobicContact CB-CE2 3.88Å; A43-F48 HydrophobicContact CB-CG 4.02Å; Y46-F48 HydrophobicContact CE2-CB 4.45Å; Y46-F48 HydrophobicContact CE2-CD2 4.42Å; Y46-F48 PolarHBondContact O-N 3.26Å; F48-D50 PolarHBondContact O-N 3.26Å; F48-I53 HydrophobicContact CD2-CD1 4.31Å; F48-I53 HydrophobicContact CE2-CD1 3.87Å; F48-I53 HydrophobicContact CE2-CG1 3.71Å; F48-I53 HydrophobicContact CZ-CG1 4.43Å; F48-P72 HydrophobicContact CD1-CB 3.88Å; F48-P72 HydrophobicContact CD1-CG 4.34Å; F48-P72 HydrophobicContact CD2-CG 4.17Å; F48-P72 HydrophobicContact CE1-CB 3.6Å; F48-P72 HydrophobicContact CE1-CG 3.91Å; F48-P72 HydrophobicContact CE2-CB 4.3Å; F48-P72 HydrophobicContact CE2-CG 3.72Å; F48-P72 HydrophobicContact CG-CB 4.37Å; F48-P72 HydrophobicContact CG-CG 4.48Å; F48-P72 HydrophobicContact CZ-CB 3.83Å; F48-P72 HydrophobicContact CZ-CG 3.57Å; F48-P72 WeakPolarHBondContact O-CB 3.49Å; F48-P72 WeakPolarHBondContact O-CG 3.4Å; F48-V91 HydrophobicContact CE1-CG2 3.43Å; F48-V91 VanDerWaalsContact CE1-CG2 3.43Å; F48-V91 HydrophobicContact CZ-CG2 3.73Å; F48-S96 VanDerWaalsContact CD1-CA 3.47Å; F48-A98 HydrophobicContact CE2-CB 4.48Å; F48-A98 HydrophobicContact CZ-CB 4.1Å
49	T	98	Very high	97.5	Very high	47 Å²	47	45 Å²	45	29%	0.288	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-68.5	-14.4	-178.8	51.8	0	0	0	0	114.9	T47 F71 G73 K93	T47-T49 WeakPolarHBondContact CG2-OG1 3.5Å; T47-T49 PolarHBondContact O-N 2.93Å; T47-T49 VanDerWaalsContact O-N 3.12Å; T49-F71 WeakPolarHBondContact O-CE2 3Å; T49-F71 WeakPolarHBondContact O-CZ 3.43Å; T49-G73 WeakPolarHBondContact O-CA 3.38Å; T49-G73 PolarHBondContact O-N 3.22Å; T49-G73 VanDerWaalsContact O-N 3.09Å; T49-K93 HydrophobicContact CG2-CD 4.46Å
50	D	97.5	Very high	97.3	Very high	97 Å²	97	49.5 Å²	49.5	52%	0.519	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-98.7	-3.2	-169.3	-61.4	-2.2	0	0	0	113	T47 F48	T47-D50 WeakPolarHBondContact CB-OD2 3.28Å; T47-D50 HydrophobicContact CG2-CB 4.36Å; T47-D50 VanDerWaalsContact CG2-CG 3.43Å; T47-D50 WeakPolarHBondContact CG2-OD1 3.19Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.39Å; T47-D50 PolarHBondContact O-N 3.1Å; T47-D50 VanDerWaalsContact O-N 3.08Å; F48-D50 PolarHBondContact O-N 3.26Å
51	Y	97.5	Very high	97.1	Very high	108 Å²	108	52.4 Å²	52.4	42%	0.424	30%	0.3	S	S	.	.	S	Bend	trans	-133.4	142.7	-174.4	-63.9	-93.9	0	0	0	112.9	Y46 P72 R117	Y46-Y51 AromaticContact CD2-CD2 3.56Å; Y46-Y51 HydrophobicContact CD2-CD2 3.56Å; Y46-Y51 HydrophobicContact CD2-CE2 4.01Å; Y46-Y51 HydrophobicContact CD2-CG 4.36Å; Y46-Y51 AromaticContact CE2-CD2 3.88Å; Y46-Y51 HydrophobicContact CE2-CD2 3.88Å; Y46-Y51 HydrophobicContact CE2-CG 4.3Å; Y51-P72 WeakPolarHBondContact O-CD 2.98Å; Y51-R117 HydrophobicContact CD1-CG 4.14Å; Y51-R117 HydrophobicContact CG-CG 3.98Å
52	Y	98.4	Very high	96.8	Very high	112 Å²	112	57.3 Å²	57.3	44%	0.439	32%	0.323	S	S	.	.			trans	-65.2	142.6	171.5	-59.9	-82.3	0	0	0	111.3	W69 I70 F71	Y52-W69 AromaticContact CD1-CD2 3.84Å; Y52-W69 HydrophobicContact CD1-CD2 3.84Å; Y52-W69 AromaticContact CD1-CE3 3.45Å; Y52-W69 HydrophobicContact CD1-CE3 3.45Å; Y52-W69 VanDerWaalsContact CD1-CE3 3.45Å; Y52-W69 HydrophobicContact CD1-CG 4.38Å; Y52-W69 HydrophobicContact CD1-CH2 4.44Å; Y52-W69 AromaticContact CD1-CZ3 3.78Å; Y52-W69 HydrophobicContact CD1-CZ3 3.78Å; Y52-W69 HydrophobicContact CE1-CD2 4.2Å; Y52-W69 AromaticContact CE1-CE3 3.75Å; Y52-W69 HydrophobicContact CE1-CE3 3.75Å; Y52-W69 AromaticContact CE1-CH2 3.89Å; Y52-W69 HydrophobicContact CE1-CH2 3.89Å; Y52-W69 HydrophobicContact CE1-CZ2 4.3Å; Y52-W69 AromaticContact CE1-CZ3 3.58Å; Y52-W69 HydrophobicContact CE1-CZ3 3.58Å; Y52-I70 WeakPolarHBondContact CA-O 3.4Å; Y52-F71 HydrophobicContact CD1-CB 3.62Å; Y52-F71 AromaticContact CD1-CD2 3.85Å; Y52-F71 HydrophobicContact CD1-CD2 3.85Å; Y52-F71 HydrophobicContact CD1-CG 4.05Å; Y52-F71 HydrophobicContact CE1-CB 3.56Å; Y52-F71 AromaticContact CE1-CD2 3.83Å; Y52-F71 HydrophobicContact CE1-CD2 3.83Å; Y52-F71 AromaticContact CE1-CG 3.79Å; Y52-F71 HydrophobicContact CE1-CG 3.79Å; Y52-F71 HydrophobicContact CG-CD2 4.22Å
53	I	98.6	Very high	96.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	113.1	167.4	-53.4	-60.9	0	0	0	108.2	L23 Y46 F48 W69 I70 P72 A98 C115 A116 R117	L23-I53 HydrophobicContact CD2-CD1 4.43Å; Y46-I53 WeakPolarHBondContact OH-CD1 3.33Å; F48-I53 HydrophobicContact CD2-CD1 4.31Å; F48-I53 HydrophobicContact CE2-CD1 3.87Å; F48-I53 HydrophobicContact CE2-CG1 3.71Å; F48-I53 HydrophobicContact CZ-CG1 4.43Å; I53-W69 CarbonylContact O-C 3.59Å; I53-W69 VanDerWaalsContact O-CA 3.25Å; I53-W69 WeakPolarHBondContact O-CA 3.41Å; I53-I70 HydrophobicContact CB-CG2 4Å; I53-I70 PolarHBondContact N-O 2.93Å; I53-I70 PolarHBondContact O-N 2.9Å; I53-P72 HydrophobicContact CG1-CG 3.95Å; I53-A98 HydrophobicContact CB-CB 4.23Å; I53-A98 HydrophobicContact CG1-CB 4.18Å; I53-A98 HydrophobicContact CG2-CB 4.04Å; I53-C115 HydrophobicContact CG2-CB 4.07Å; I53-A116 CarbonylContact C-O 3.57Å; I53-A116 WeakPolarHBondContact CA-O 3.35Å; I53-R117 HydrophobicContact CD1-CB 4.4Å
54	N	98.6	Very high	96.5	Very high	39 Å²	39	59.7 Å²	59.7	21%	0.209	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	141.8	176.4	-68.6	-84.2	0	0	0	110.1	W66 C115 A116	N54-W66 PolarHBondContact OD1-NE1 3.15Å; N54-W66 VanDerWaalsContact OD1-NE1 3.14Å; N54-C115 CarbonylContact O-C 3.56Å; N54-C115 VanDerWaalsContact O-CA 3.29Å; N54-C115 WeakPolarHBondContact O-CA 3.29Å; N54-A116 HydrophobicContact CB-CB 4.41Å; N54-A116 PolarHBondContact N-O 2.82Å; N54-A116 PolarHBondContact O-N 2.92Å
55	W	98.7	Very high	96.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	132	172.4	-69.7	90.4	0	0	0	110	I39 C41 I67 G68 L89 A98 M100 F114 C115	I39-W55 HydrophobicContact CB-CH2 4.2Å; I39-W55 HydrophobicContact CB-CZ3 4.11Å; I39-W55 HydrophobicContact CG2-CH2 4.02Å; I39-W55 HydrophobicContact CG2-CZ3 3.81Å; C41-W55 HydrophobicContact CB-CH2 3.81Å; C41-W55 HydrophobicContact CB-CZ2 3.95Å; W55-I67 HydrophobicContact CB-CB 4.05Å; W55-I67 HydrophobicContact CB-CD1 4.21Å; W55-I67 HydrophobicContact CB-CG2 4.43Å; W55-I67 WeakPolarHBondContact O-CB 3.46Å; W55-I67 PolarHBondContact O-N 3.08Å; W55-G68 PolarHBondContact N-O 2.92Å; W55-L89 VanDerWaalsContact CD1-CD2 3.46Å; W55-L89 HydrophobicContact CG-CD2 3.97Å; W55-A98 HydrophobicContact CZ2-CB 4.41Å; W55-M100 HydrophobicContact CB-SD 3.88Å; W55-M100 HydrophobicContact CD2-CB 3.71Å; W55-M100 HydrophobicContact CD2-CE 4.11Å; W55-M100 HydrophobicContact CD2-CG 4.4Å; W55-M100 HydrophobicContact CD2-SD 3.9Å; W55-M100 HydrophobicContact CE3-CB 3.87Å; W55-M100 HydrophobicContact CE3-CE 3.47Å; W55-M100 VanDerWaalsContact CE3-CE 3.47Å; W55-M100 HydrophobicContact CE3-SD 3.91Å; W55-M100 HydrophobicContact CG-CB 4.34Å; W55-M100 HydrophobicContact CG-SD 3.92Å; W55-M100 HydrophobicContact CH2-CB 3.88Å; W55-M100 HydrophobicContact CZ2-CB 3.75Å; W55-M100 HydrophobicContact CZ3-CB 3.95Å; W55-M100 HydrophobicContact CZ3-CE 3.93Å; W55-F114 WeakPolarHBondContact CA-O 3.43Å; W55-C115 HydrophobicContact CD2-CB 4.38Å; W55-C115 HydrophobicContact CE3-CB 4.17Å; W55-C115 HydrophobicContact CH2-CB 4.2Å; W55-C115 HydrophobicContact CZ2-CB 4.37Å; W55-C115 HydrophobicContact CZ3-CB 4.08Å
56	V	98.4	Very high	96.7	Very high	23 Å²	23	60.6 Å²	60.6	14%	0.139	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.8	-175.1	-174.1	0	0	0	0	109.6	L64 E65 Y113 F114	V56-L64 HydrophobicContact CG1-CB 3.83Å; V56-L64 HydrophobicContact CG1-CD2 3.95Å; V56-L64 HydrophobicContact CG1-CG 4.33Å; V56-E65 WeakPolarHBondContact CA-O 3.39Å; V56-Y113 CarbonylContact O-C 3.55Å; V56-Y113 WeakPolarHBondContact O-CA 3.21Å; V56-F114 HydrophobicContact CB-CB 4.48Å; V56-F114 PolarHBondContact N-O 3.35Å; V56-F114 PolarHBondContact O-N 2.97Å
57	K	97.8	Very high	96.9	Very high	1 Å²	1	58.8 Å²	58.8	0%	0.004	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	137.7	174.7	-174.8	179	-177.6	177.5	0	109.9	E65 I67 F83 E108 D109 A111 Y113	K57-E65 HydrophobicContact CB-CB 4.39Å; K57-E65 PolarHBondContact N-O 3.47Å; K57-E65 PolarHBondContact O-N 3.45Å; K57-I67 HydrophobicContact CB-CD1 4.08Å; K57-I67 HydrophobicContact CB-CG1 4.24Å; K57-F83 HydrophobicContact CB-CZ 4.38Å; K57-F83 HydrophobicContact CD-CE1 3.99Å; K57-F83 HydrophobicContact CD-CZ 3.91Å; K57-E108 WeakPolarHBondContact CE-O 3.4Å; K57-E108 PolarHBondContact NZ-O 2.97Å; K57-D109 IonicContact NZ-OD1 2.84Å; K57-D109 PolarHBondContact NZ-OD1 2.77Å; K57-A111 HydrophobicContact CD-CB 4.21Å; K57-A111 HydrophobicContact CG-CB 3.54Å; K57-Y113 HydrophobicContact CB-CD1 4.17Å; K57-Y113 HydrophobicContact CB-CE1 3.93Å; K57-Y113 HydrophobicContact CD-CE1 3.99Å; K57-Y113 WeakPolarHBondContact CE-OH 3.48Å; K57-Y113 HydrophobicContact CG-CD1 4.28Å; K57-Y113 HydrophobicContact CG-CE1 3.73Å
58	Q	97.5	Very high	97	Very high	75 Å²	75	55 Å²	55	35%	0.35	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	112.7	170.4	-170.5	-179.6	30.5	0	0	110	L64 A111 V112 F114	Q58-L64 HydrophobicContact CB-CD2 3.76Å; Q58-L64 HydrophobicContact CG-CD2 3.89Å; Q58-A111 WeakPolarHBondContact O-CA 3.44Å; Q58-A111 VanDerWaalsContact O-CB 3.28Å; Q58-A111 WeakPolarHBondContact O-CB 3.45Å; Q58-V112 PolarHBondContact N-O 3.31Å; Q58-V112 PolarHBondContact O-N 2.96Å; Q58-F114 HydrophobicContact CB-CD2 4.45Å; Q58-F114 HydrophobicContact CB-CE2 3.83Å; Q58-F114 VanDerWaalsContact OE1-CE2 3.32Å
59	R	95.1	Very high	97.1	Very high	47 Å²	47	57.7 Å²	57.7	18%	0.177	32%	0.316	C	S	.	.			trans	-86	151.3	170.9	-61.4	-166.8	-168.3	87.2	3	110.6	G61 Q62 E65 E108 A111	R59-G61 PolarHBondContact O-N 2.64Å; R59-Q62 HydrophobicContact CB-CB 4.03Å; R59-Q62 HydrophobicContact CB-CG 4.05Å; R59-Q62 PolarHBondContact O-N 2.61Å; R59-Q62 VanDerWaalsContact O-N 3.1Å; R59-E65 IonicContact CZ-OE1 2.69Å; R59-E65 IonicContact NH1-OE1 2.79Å; R59-E65 PolarHBondContact NH1-OE1 2.82Å; R59-E65 IonicContact NH2-OE1 3.04Å; R59-E108 PolarHBondContact NE-O 2.92Å; R59-E108 PolarHBondContact NH2-O 3.12Å; R59-A111 HydrophobicContact CG-CB 4.17Å
60	P	94.1	Very high	97.1	Very high	111 Å²	111	55.6 Å²	55.6	72%	0.721	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	126.9	170.5	-24.6	34.5	0	0	0	111.3	Q62	P60-Q62 PolarHBondContact O-N 2.96Å
61	G	94.5	Very high	97.2	Very high	94 Å²	94	53.3 Å²	53.3	97%	0.969	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	6.8	179.3	0	0	0	0	0	115.8	R59	R59-G61 PolarHBondContact O-N 2.64Å
62	Q	93.4	Very high	97.2	Very high	102 Å²	102	48.2 Å²	48.2	48%	0.477	27%	0.268	S	S	.	.	S	Bend	trans	-118.3	164.2	176.5	-55.2	-175.1	13.3	0	0	111.6	R59 P60	R59-Q62 HydrophobicContact CB-CB 4.03Å; R59-Q62 HydrophobicContact CB-CG 4.05Å; R59-Q62 PolarHBondContact O-N 2.61Å; R59-Q62 VanDerWaalsContact O-N 3.1Å; P60-Q62 PolarHBondContact O-N 2.96Å
63	G	92.5	Very high	97.2	Very high	56 Å²	56	44.1 Å²	44.1	58%	0.577	26%	0.26	S	S	*	.			trans	-68	175.4	174.5	0	0	0	0	0	113.4
64	L	96.8	Very high	97.2	Very high	117 Å²	117	47.4 Å²	47.4	61%	0.613	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	130	171.4	-64.4	175.8	0	0	0	110	V56 Q58	V56-L64 HydrophobicContact CG1-CB 3.83Å; V56-L64 HydrophobicContact CG1-CD2 3.95Å; V56-L64 HydrophobicContact CG1-CG 4.33Å; Q58-L64 HydrophobicContact CB-CD2 3.76Å; Q58-L64 HydrophobicContact CG-CD2 3.89Å
65	E	97.5	Very high	97.1	Very high	34 Å²	34	47 Å²	47	16%	0.159	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.5	172.7	-70.9	-168.2	-84.7	0	0	110	V56 K57 R59 K82 F83	V56-E65 WeakPolarHBondContact CA-O 3.39Å; K57-E65 HydrophobicContact CB-CB 4.39Å; K57-E65 PolarHBondContact N-O 3.47Å; K57-E65 PolarHBondContact O-N 3.45Å; R59-E65 IonicContact CZ-OE1 2.69Å; R59-E65 IonicContact NH1-OE1 2.79Å; R59-E65 PolarHBondContact NH1-OE1 2.82Å; R59-E65 IonicContact NH2-OE1 3.04Å; E65-K82 IonicContact OE2-NZ 2.65Å; E65-K82 PolarHBondContact OE2-NZ 2.84Å; E65-F83 HydrophobicContact CB-CE2 4.46Å; E65-F83 HydrophobicContact CB-CZ 4.49Å
66	W	98.1	Very high	97.1	Very high	83 Å²	83	50 Å²	50	31%	0.314	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	127.3	176.9	-175.4	78.2	0	0	0	111	N54 W69 Y78 N80	N54-W66 PolarHBondContact OD1-NE1 3.15Å; N54-W66 VanDerWaalsContact OD1-NE1 3.14Å; W66-W69 AromaticContact CH2-CD1 3.75Å; W66-W69 HydrophobicContact CZ2-CB 4.07Å; W66-W69 AromaticContact CZ2-CD1 3.39Å; W66-W69 HydrophobicContact CZ2-CG 4Å; W66-Y78 AromaticContact CH2-CD1 3.45Å; W66-Y78 HydrophobicContact CH2-CD1 3.45Å; W66-Y78 VanDerWaalsContact CH2-CD1 3.45Å; W66-Y78 HydrophobicContact CH2-CE1 4.02Å; W66-Y78 HydrophobicContact CH2-CG 4.43Å; W66-Y78 AromaticContact CZ3-CD1 3.77Å; W66-Y78 HydrophobicContact CZ3-CD1 3.77Å; W66-Y78 AromaticContact CZ3-CE1 3.91Å; W66-Y78 HydrophobicContact CZ3-CE1 3.91Å; W66-N80 HydrophobicContact CE3-CB 3.92Å; W66-N80 HydrophobicContact CZ3-CB 4.21Å; W66-N80 VanDerWaalsContact O-CB 3.23Å; W66-N80 WeakPolarHBondContact O-CB 3.49Å; W66-N80 PolarHBondContact O-ND2 2.79Å
67	I	98.4	Very high	97.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-47.9	-177.3	-62.3	172.2	0	0	0	110.6	W55 K57 N80 F83 A87 M100 Y113	W55-I67 HydrophobicContact CB-CB 4.05Å; W55-I67 HydrophobicContact CB-CD1 4.21Å; W55-I67 HydrophobicContact CB-CG2 4.43Å; W55-I67 WeakPolarHBondContact O-CB 3.46Å; W55-I67 PolarHBondContact O-N 3.08Å; K57-I67 HydrophobicContact CB-CD1 4.08Å; K57-I67 HydrophobicContact CB-CG1 4.24Å; I67-N80 WeakPolarHBondContact O-CB 3.38Å; I67-N80 PolarHBondContact O-N 2.03Å; I67-F83 HydrophobicContact CB-CD2 4.21Å; I67-F83 HydrophobicContact CB-CG 4.23Å; I67-F83 HydrophobicContact CD1-CE1 4.49Å; I67-F83 HydrophobicContact CG1-CD1 4.1Å; I67-F83 HydrophobicContact CG1-CD2 4.11Å; I67-F83 HydrophobicContact CG1-CE1 3.97Å; I67-F83 HydrophobicContact CG1-CE2 3.96Å; I67-F83 HydrophobicContact CG1-CG 4.17Å; I67-F83 HydrophobicContact CG1-CZ 3.89Å; I67-F83 HydrophobicContact CG2-CB 3.84Å; I67-F83 HydrophobicContact CG2-CD1 4.15Å; I67-F83 HydrophobicContact CG2-CD2 4.3Å; I67-F83 HydrophobicContact CG2-CG 3.84Å; I67-A87 HydrophobicContact CG2-CB 3.85Å; I67-M100 HydrophobicContact CD1-CE 3.97Å; I67-M100 HydrophobicContact CD1-SD 3.64Å; I67-M100 HydrophobicContact CG2-SD 4.06Å; I67-Y113 HydrophobicContact CD1-CD1 3.7Å; I67-Y113 HydrophobicContact CD1-CE1 3.79Å
68	G	98.5	Very high	97.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165	176.3	-169.2	0	0	0	0	0	112.4	W55 Y78	W55-G68 PolarHBondContact N-O 2.92Å; G68-Y78 CarbonylContact C-O 3.58Å; G68-Y78 WeakPolarHBondContact CA-O 3.23Å
69	W	98.6	Very high	97.2	Very high	66 Å²	66	55.8 Å²	55.8	25%	0.25	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	153.8	171.4	59.4	-115.5	0	0	0	111	Y52 I53 W66 F71 S76 T77 Y78 L89	Y52-W69 AromaticContact CD1-CD2 3.84Å; Y52-W69 HydrophobicContact CD1-CD2 3.84Å; Y52-W69 AromaticContact CD1-CE3 3.45Å; Y52-W69 HydrophobicContact CD1-CE3 3.45Å; Y52-W69 VanDerWaalsContact CD1-CE3 3.45Å; Y52-W69 HydrophobicContact CD1-CG 4.38Å; Y52-W69 HydrophobicContact CD1-CH2 4.44Å; Y52-W69 AromaticContact CD1-CZ3 3.78Å; Y52-W69 HydrophobicContact CD1-CZ3 3.78Å; Y52-W69 HydrophobicContact CE1-CD2 4.2Å; Y52-W69 AromaticContact CE1-CE3 3.75Å; Y52-W69 HydrophobicContact CE1-CE3 3.75Å; Y52-W69 AromaticContact CE1-CH2 3.89Å; Y52-W69 HydrophobicContact CE1-CH2 3.89Å; Y52-W69 HydrophobicContact CE1-CZ2 4.3Å; Y52-W69 AromaticContact CE1-CZ3 3.58Å; Y52-W69 HydrophobicContact CE1-CZ3 3.58Å; I53-W69 CarbonylContact O-C 3.59Å; I53-W69 VanDerWaalsContact O-CA 3.25Å; I53-W69 WeakPolarHBondContact O-CA 3.41Å; W66-W69 AromaticContact CH2-CD1 3.75Å; W66-W69 HydrophobicContact CZ2-CB 4.07Å; W66-W69 AromaticContact CZ2-CD1 3.39Å; W66-W69 HydrophobicContact CZ2-CG 4Å; W69-F71 HydrophobicContact CE3-CB 4.38Å; W69-F71 HydrophobicContact CZ3-CB 3.96Å; W69-S76 WeakPolarHBondContact CZ3-O 3.46Å; W69-T77 VanDerWaalsContact O-CA 3.32Å; W69-T77 WeakPolarHBondContact O-CA 3.48Å; W69-Y78 HydrophobicContact CZ2-CG 4.45Å; W69-Y78 PolarHBondContact N-O 2.84Å; W69-Y78 PolarHBondContact O-N 2.83Å; W69-L89 WeakPolarHBondContact O-CD1 3.4Å
70	I	98.7	Very high	97.3	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.6	164.1	-175.3	162.2	0	0	0	109	Y52 I53 P72 S76 T77 L89 T90 V91 A98	Y52-I70 WeakPolarHBondContact CA-O 3.4Å; I53-I70 HydrophobicContact CB-CG2 4Å; I53-I70 PolarHBondContact N-O 2.93Å; I53-I70 PolarHBondContact O-N 2.9Å; I70-P72 WeakPolarHBondContact O-CD 3.39Å; I70-S76 CarbonylContact C-O 3.49Å; I70-S76 WeakPolarHBondContact CA-O 3Å; I70-T77 HydrophobicContact CB-CG2 4Å; I70-T77 HydrophobicContact CD1-CG2 3.87Å; I70-T77 HydrophobicContact CG1-CG2 3.79Å; I70-L89 HydrophobicContact CB-CB 4.07Å; I70-L89 HydrophobicContact CB-CD1 4.34Å; I70-L89 HydrophobicContact CD1-CB 4.27Å; I70-T90 VanDerWaalsContact CD1-C 3.45Å; I70-V91 HydrophobicContact CD1-CB 3.85Å; I70-V91 HydrophobicContact CD1-CG1 4.04Å; I70-A98 HydrophobicContact CG2-CB 4.21Å
71	F	98.6	Very high	97.5	Very high	50 Å²	50	56.3 Å²	56.3	22%	0.219	33%	0.33	C	S	.	.			trans	-95.7	106.1	169.9	-173.9	-130	0	0	0	109.1	T49 Y52 W69 G73 S74 G75 S76	T49-F71 WeakPolarHBondContact O-CE2 3Å; T49-F71 WeakPolarHBondContact O-CZ 3.43Å; Y52-F71 HydrophobicContact CD1-CB 3.62Å; Y52-F71 AromaticContact CD1-CD2 3.85Å; Y52-F71 HydrophobicContact CD1-CD2 3.85Å; Y52-F71 HydrophobicContact CD1-CG 4.05Å; Y52-F71 HydrophobicContact CE1-CB 3.56Å; Y52-F71 AromaticContact CE1-CD2 3.83Å; Y52-F71 HydrophobicContact CE1-CD2 3.83Å; Y52-F71 AromaticContact CE1-CG 3.79Å; Y52-F71 HydrophobicContact CE1-CG 3.79Å; Y52-F71 HydrophobicContact CG-CD2 4.22Å; W69-F71 HydrophobicContact CE3-CB 4.38Å; W69-F71 HydrophobicContact CZ3-CB 3.96Å; F71-G73 PolarHBondContact O-N 2.96Å; F71-S74 WeakPolarHBondContact CD1-OG 3.32Å; F71-S74 PolarHBondContact O-N 3.28Å; F71-G75 VanDerWaalsContact O-CA 3.3Å; F71-G75 WeakPolarHBondContact O-CA 3.24Å; F71-G75 PolarHBondContact O-N 2.91Å; F71-S76 PolarHBondContact N-O 2.65Å
72	P	98.5	Very high	97.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.1	-176.7	-28.8	40.5	0	0	0	113.8	F48 Y51 I53 I70 V91 K93	F48-P72 HydrophobicContact CD1-CB 3.88Å; F48-P72 HydrophobicContact CD1-CG 4.34Å; F48-P72 HydrophobicContact CD2-CG 4.17Å; F48-P72 HydrophobicContact CE1-CB 3.6Å; F48-P72 HydrophobicContact CE1-CG 3.91Å; F48-P72 HydrophobicContact CE2-CB 4.3Å; F48-P72 HydrophobicContact CE2-CG 3.72Å; F48-P72 HydrophobicContact CG-CB 4.37Å; F48-P72 HydrophobicContact CG-CG 4.48Å; F48-P72 HydrophobicContact CZ-CB 3.83Å; F48-P72 HydrophobicContact CZ-CG 3.57Å; F48-P72 WeakPolarHBondContact O-CB 3.49Å; F48-P72 WeakPolarHBondContact O-CG 3.4Å; Y51-P72 WeakPolarHBondContact O-CD 2.98Å; I53-P72 HydrophobicContact CG1-CG 3.95Å; I70-P72 WeakPolarHBondContact O-CD 3.39Å; P72-V91 HydrophobicContact CB-CG2 3.89Å; P72-V91 HydrophobicContact CG-CG2 4.42Å; P72-K93 WeakPolarHBondContact O-CE 3.32Å; P72-K93 PolarHBondContact O-NZ 2.82Å
73	G	98.2	Very high	97.7	Very high	27 Å²	27	54.5 Å²	54.5	28%	0.278	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-52.6	178.5	0	0	0	0	0	113.1	T49 F71 K93	T49-G73 WeakPolarHBondContact O-CA 3.38Å; T49-G73 PolarHBondContact O-N 3.22Å; T49-G73 VanDerWaalsContact O-N 3.09Å; F71-G73 PolarHBondContact O-N 2.96Å; G73-K93 PolarHBondContact O-NZ 2.88Å
74	S	98	Very high	97.9	Very high	68 Å²	68	57 Å²	57	48%	0.476	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-20.2	-179.8	67.3	0	0	0	0	114.5	F71 S76	F71-S74 WeakPolarHBondContact CD1-OG 3.32Å; F71-S74 PolarHBondContact O-N 3.28Å; S74-S76 VanDerWaalsContact C-N 3.27Å; S74-S76 WeakPolarHBondContact OG-CB 3.26Å; S74-S76 PolarHBondContact OG-N 2.84Å; S74-S76 PolarHBondContact OG-OG 2.77Å
75	G	98	Very high	97.8	Very high	32 Å²	32	55.1 Å²	55.1	33%	0.33	30%	0.298	S	S	.	.			trans	79.1	5.3	-166.4	0	0	0	0	0	114.1	F71	F71-G75 VanDerWaalsContact O-CA 3.3Å; F71-G75 WeakPolarHBondContact O-CA 3.24Å; F71-G75 PolarHBondContact O-N 2.91Å
76	S	98.4	Very high	97.7	Very high	61 Å²	61	55.6 Å²	55.6	43%	0.427	30%	0.299	S	S	.	.			trans	-62.3	143.7	177.6	-62.5	0	0	0	0	111	W69 I70 F71 S74	W69-S76 WeakPolarHBondContact CZ3-O 3.46Å; I70-S76 CarbonylContact C-O 3.49Å; I70-S76 WeakPolarHBondContact CA-O 3Å; F71-S76 PolarHBondContact N-O 2.65Å; S74-S76 VanDerWaalsContact C-N 3.27Å; S74-S76 WeakPolarHBondContact OG-CB 3.26Å; S74-S76 PolarHBondContact OG-N 2.84Å; S74-S76 PolarHBondContact OG-OG 2.77Å
77	T	98.6	Very high	97.7	Very high	58 Å²	58	51.9 Å²	51.9	36%	0.356	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149.3	179.9	55.3	0	0	0	0	110.9	W69 I70 Y79 L89	W69-T77 VanDerWaalsContact O-CA 3.32Å; W69-T77 WeakPolarHBondContact O-CA 3.48Å; I70-T77 HydrophobicContact CB-CG2 4Å; I70-T77 HydrophobicContact CD1-CG2 3.87Å; I70-T77 HydrophobicContact CG1-CG2 3.79Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.23Å; T77-L89 HydrophobicContact CG2-CB 3.89Å
78	Y	98.4	Very high	97.8	Very high	125 Å²	125	54.8 Å²	54.8	49%	0.49	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.5	167.1	-171.8	-78.4	0	0	0	108.8	W66 G68 W69	W66-Y78 AromaticContact CH2-CD1 3.45Å; W66-Y78 HydrophobicContact CH2-CD1 3.45Å; W66-Y78 VanDerWaalsContact CH2-CD1 3.45Å; W66-Y78 HydrophobicContact CH2-CE1 4.02Å; W66-Y78 HydrophobicContact CH2-CG 4.43Å; W66-Y78 AromaticContact CZ3-CD1 3.77Å; W66-Y78 HydrophobicContact CZ3-CD1 3.77Å; W66-Y78 AromaticContact CZ3-CE1 3.91Å; W66-Y78 HydrophobicContact CZ3-CE1 3.91Å; G68-Y78 CarbonylContact C-O 3.58Å; G68-Y78 WeakPolarHBondContact CA-O 3.23Å; W69-Y78 HydrophobicContact CZ2-CG 4.45Å; W69-Y78 PolarHBondContact N-O 2.84Å; W69-Y78 PolarHBondContact O-N 2.83Å
79	Y	98.5	Very high	97.8	Very high	38 Å²	38	55.1 Å²	55.1	15%	0.149	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144	-178.1	-60.8	-94.7	0	0	0	110.4	T77 K84 A87 L89	T77-Y79 WeakPolarHBondContact OG1-CE2 3.23Å; Y79-K84 HydrophobicContact CG-CG 4.36Å; Y79-A87 HydrophobicContact CD1-CB 4.42Å; Y79-A87 HydrophobicContact CE1-CB 4.26Å; Y79-A87 WeakPolarHBondContact CE1-O 3.24Å; Y79-L89 HydrophobicContact CE1-CB 4.5Å; Y79-L89 HydrophobicContact CE1-CD1 4.18Å; Y79-L89 HydrophobicContact CE1-CG 3.72Å; Y79-L89 PolarHBondContact OH-N 3.43Å
80	N	97.5	Very high	97.8	Very high	47 Å²	47	54.9 Å²	54.9	25%	0.251	31%	0.311	S	S	.	.			trans	-62.4	137.2	155.9	-179.1	-29.9	0	0	0	109.1	W66 I67 K82 F83 K84	W66-N80 HydrophobicContact CE3-CB 3.92Å; W66-N80 HydrophobicContact CZ3-CB 4.21Å; W66-N80 VanDerWaalsContact O-CB 3.23Å; W66-N80 WeakPolarHBondContact O-CB 3.49Å; W66-N80 PolarHBondContact O-ND2 2.79Å; I67-N80 WeakPolarHBondContact O-CB 3.38Å; I67-N80 PolarHBondContact O-N 2.03Å; N80-K82 PolarHBondContact O-N 3.47Å; N80-K82 VanDerWaalsContact O-N 3.11Å; N80-K82 PolarHBondContact OD1-N 2.83Å; N80-K82 VanDerWaalsContact OD1-N 3.07Å; N80-F83 HydrophobicContact CB-CD2 4.14Å; N80-F83 PolarHBondContact O-N 3.34Å; N80-K84 PolarHBondContact O-N 3.38Å
81	E	97.3	Very high	97.7	Very high	123 Å²	123	56.6 Å²	56.6	58%	0.575	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-50.2	-38.1	-179.4	-61.7	-56.3	146.7	0	0	113	F83 K84	E81-F83 PolarHBondContact O-N 2.83Å; E81-F83 VanDerWaalsContact O-N 3.13Å; E81-K84 PolarHBondContact O-N 3.31Å; E81-K84 WeakPolarHBondContact OE1-CE 3.42Å; E81-K84 IonicContact OE1-NZ 3.45Å; E81-K84 PolarHBondContact OE1-NZ 3.44Å; E81-K84 VanDerWaalsContact OE2-CD 3.26Å; E81-K84 WeakPolarHBondContact OE2-CD 3.35Å; E81-K84 VanDerWaalsContact OE2-CE 3.24Å; E81-K84 WeakPolarHBondContact OE2-CE 3.29Å; E81-K84 IonicContact OE2-NZ 2.6Å; E81-K84 PolarHBondContact OE2-NZ 2.79Å
82	K	95.5	Very high	97.7	Very high	147 Å²	147	56.8 Å²	56.8	64%	0.639	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-59.8	-25.6	178.9	-67.6	-170.5	-173.2	-178.2	0	114.1	E65 N80	E65-K82 IonicContact OE2-NZ 2.65Å; E65-K82 PolarHBondContact OE2-NZ 2.84Å; N80-K82 PolarHBondContact O-N 3.47Å; N80-K82 VanDerWaalsContact O-N 3.11Å; N80-K82 PolarHBondContact OD1-N 2.83Å; N80-K82 VanDerWaalsContact OD1-N 3.07Å
83	F	97	Very high	97.7	Very high	10 Å²	10	61.8 Å²	61.8	4%	0.044	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-109.9	-3.3	-174.8	-65	-83.2	0	0	0	113.1	K57 E65 I67 N80 E81 G85 K86 A87	K57-F83 HydrophobicContact CB-CZ 4.38Å; K57-F83 HydrophobicContact CD-CE1 3.99Å; K57-F83 HydrophobicContact CD-CZ 3.91Å; E65-F83 HydrophobicContact CB-CE2 4.46Å; E65-F83 HydrophobicContact CB-CZ 4.49Å; I67-F83 HydrophobicContact CB-CD2 4.21Å; I67-F83 HydrophobicContact CB-CG 4.23Å; I67-F83 HydrophobicContact CD1-CE1 4.49Å; I67-F83 HydrophobicContact CG1-CD1 4.1Å; I67-F83 HydrophobicContact CG1-CD2 4.11Å; I67-F83 HydrophobicContact CG1-CE1 3.97Å; I67-F83 HydrophobicContact CG1-CE2 3.96Å; I67-F83 HydrophobicContact CG1-CG 4.17Å; I67-F83 HydrophobicContact CG1-CZ 3.89Å; I67-F83 HydrophobicContact CG2-CB 3.84Å; I67-F83 HydrophobicContact CG2-CD1 4.15Å; I67-F83 HydrophobicContact CG2-CD2 4.3Å; I67-F83 HydrophobicContact CG2-CG 3.84Å; N80-F83 HydrophobicContact CB-CD2 4.14Å; N80-F83 PolarHBondContact O-N 3.34Å; E81-F83 PolarHBondContact O-N 2.83Å; E81-F83 VanDerWaalsContact O-N 3.13Å; F83-G85 PolarHBondContact O-N 3.28Å; F83-K86 PolarHBondContact O-N 3.29Å; F83-K86 VanDerWaalsContact O-N 3.08Å; F83-A87 HydrophobicContact CB-CB 4.25Å; F83-A87 PolarHBondContact O-N 3.13Å
84	K	95.7	Very high	97.6	Very high	108 Å²	108	65.8 Å²	65.8	47%	0.47	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	130.7	171.2	-75.1	-171.2	-172.3	166.8	0	109.7	Y79 N80 E81 K86	Y79-K84 HydrophobicContact CG-CG 4.36Å; N80-K84 PolarHBondContact O-N 3.38Å; E81-K84 PolarHBondContact O-N 3.31Å; E81-K84 WeakPolarHBondContact OE1-CE 3.42Å; E81-K84 IonicContact OE1-NZ 3.45Å; E81-K84 PolarHBondContact OE1-NZ 3.44Å; E81-K84 VanDerWaalsContact OE2-CD 3.26Å; E81-K84 WeakPolarHBondContact OE2-CD 3.35Å; E81-K84 VanDerWaalsContact OE2-CE 3.24Å; E81-K84 WeakPolarHBondContact OE2-CE 3.29Å; E81-K84 IonicContact OE2-NZ 2.6Å; E81-K84 PolarHBondContact OE2-NZ 2.79Å; K84-K86 PolarHBondContact O-N 2.79Å; K84-K86 VanDerWaalsContact O-N 3.15Å
85	G	95	Very high	97.6	Very high	79 Å²	79	64.3 Å²	64.3	81%	0.814	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	-21.4	-175.8	0	0	0	0	0	115	F83	F83-G85 PolarHBondContact O-N 3.28Å
86	K	97	Very high	97.6	Very high	44 Å²	44	64.6 Å²	64.6	19%	0.191	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-46	174.3	-170.8	78.3	178.4	-159.8	0	112	F83 K84 L102 S103 S104 D109	F83-K86 PolarHBondContact O-N 3.29Å; F83-K86 VanDerWaalsContact O-N 3.08Å; K84-K86 PolarHBondContact O-N 2.79Å; K84-K86 VanDerWaalsContact O-N 3.15Å; K86-L102 WeakPolarHBondContact O-CA 3.49Å; K86-S103 WeakPolarHBondContact CD-O 3.48Å; K86-S103 WeakPolarHBondContact CE-O 3.25Å; K86-S103 PolarHBondContact NZ-O 3.04Å; K86-S103 PolarHBondContact O-N 2.85Å; K86-S104 PolarHBondContact NZ-O 3.38Å; K86-D109 WeakPolarHBondContact CE-OD2 3.36Å; K86-D109 IonicContact NZ-OD2 3.66Å; K86-D109 PolarHBondContact NZ-OD2 3.14Å
87	A	98.2	Very high	97.7	Very high	4 Å²	4	62 Å²	62	3%	0.033	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	144	-179.5	0	0	0	0	0	111.1	I67 Y79 F83 L101 L102	I67-A87 HydrophobicContact CG2-CB 3.85Å; Y79-A87 HydrophobicContact CD1-CB 4.42Å; Y79-A87 HydrophobicContact CE1-CB 4.26Å; Y79-A87 WeakPolarHBondContact CE1-O 3.24Å; F83-A87 HydrophobicContact CB-CB 4.25Å; F83-A87 PolarHBondContact O-N 3.13Å; A87-L101 CarbonylContact C-O 3.58Å; A87-L101 WeakPolarHBondContact CA-O 3.46Å; A87-L102 HydrophobicContact CB-CD2 3.83Å
88	T	98.5	Very high	97.7	Very high	61 Å²	61	59.3 Å²	59.3	37%	0.374	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	118.7	169.2	-57.4	0	0	0	0	108.8	T90 L101	T88-T90 HydrophobicContact CG2-CG2 4.28Å; T88-L101 PolarHBondContact N-O 3.46Å; T88-L101 PolarHBondContact O-N 3.49Å
89	L	98.7	Very high	97.7	Very high	8 Å²	8	55.8 Å²	55.8	4%	0.042	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	131.5	179.4	-52.6	-176.4	0	0	0	109.8	W55 W69 I70 T77 Y79 Y99 M100	W55-L89 VanDerWaalsContact CD1-CD2 3.46Å; W55-L89 HydrophobicContact CG-CD2 3.97Å; W69-L89 WeakPolarHBondContact O-CD1 3.4Å; I70-L89 HydrophobicContact CB-CB 4.07Å; I70-L89 HydrophobicContact CB-CD1 4.34Å; I70-L89 HydrophobicContact CD1-CB 4.27Å; T77-L89 HydrophobicContact CG2-CB 3.89Å; Y79-L89 HydrophobicContact CE1-CB 4.5Å; Y79-L89 HydrophobicContact CE1-CD1 4.18Å; Y79-L89 HydrophobicContact CE1-CG 3.72Å; Y79-L89 PolarHBondContact OH-N 3.43Å; L89-Y99 WeakPolarHBondContact CA-O 2.94Å; L89-M100 HydrophobicContact CD2-CB 3.76Å; L89-M100 HydrophobicContact CD2-CG 3.67Å; L89-M100 HydrophobicContact CD2-SD 4.13Å
90	T	98.5	Very high	97.7	Very high	60 Å²	60	54 Å²	54	37%	0.368	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	164.8	178.2	57.6	0	0	0	0	110.6	I70 T88 Y99	I70-T90 VanDerWaalsContact CD1-C 3.45Å; T88-T90 HydrophobicContact CG2-CG2 4.28Å; T90-Y99 PolarHBondContact N-O 3.33Å; T90-Y99 PolarHBondContact O-N 3.11Å
91	V	98.5	Very high	97.7	Very high	38 Å²	38	54.7 Å²	54.7	23%	0.23	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137.1	-177.7	64.3	0	0	0	0	111.2	F48 I70 P72 K93	F48-V91 HydrophobicContact CE1-CG2 3.43Å; F48-V91 VanDerWaalsContact CE1-CG2 3.43Å; F48-V91 HydrophobicContact CZ-CG2 3.73Å; I70-V91 HydrophobicContact CD1-CB 3.85Å; I70-V91 HydrophobicContact CD1-CG1 4.04Å; P72-V91 HydrophobicContact CB-CG2 3.89Å; P72-V91 HydrophobicContact CG-CG2 4.42Å; V91-K93 HydrophobicContact CG2-CG 4.37Å
92	D	98.3	Very high	97.8	Very high	54 Å²	54	48.9 Å²	48.9	29%	0.289	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	105.3	163	176.4	6.1	0	0	0	108.4	S94 S95 S96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.28Å; D92-S94 PolarHBondContact O-N 2.92Å; D92-S94 WeakPolarHBondContact OD1-CB 3.06Å; D92-S94 PolarHBondContact OD1-N 3.11Å; D92-S94 PolarHBondContact OD1-OG 2.9Å; D92-S94 PolarHBondContact OD2-OG 2.87Å; D92-S95 WeakPolarHBondContact CB-OG 3.49Å; D92-S95 PolarHBondContact OD1-N 2.86Å; D92-S95 VanDerWaalsContact OD2-CB 3.29Å; D92-S95 WeakPolarHBondContact OD2-CB 3.3Å; D92-S95 PolarHBondContact OD2-OG 3.07Å; D92-S96 PolarHBondContact O-N 3Å; D92-T97 PolarHBondContact N-O 2.96Å; D92-T97 PolarHBondContact O-N 3.26Å; D92-Y99 HydrophobicContact CB-CE2 3.9Å
93	K	97.6	Very high	97.9	Very high	105 Å²	105	43.3 Å²	43.3	46%	0.457	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-29.1	-178.1	-54.4	-173.1	-163.6	-172.4	0	111.9	T49 P72 G73 V91 S96	T49-K93 HydrophobicContact CG2-CD 4.46Å; P72-K93 WeakPolarHBondContact O-CE 3.32Å; P72-K93 PolarHBondContact O-NZ 2.82Å; G73-K93 PolarHBondContact O-NZ 2.88Å; V91-K93 HydrophobicContact CG2-CG 4.37Å; K93-S96 PolarHBondContact O-N 2.96Å
94	S	97.2	Very high	97.9	Very high	112 Å²	112	46.6 Å²	46.6	78%	0.783	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-34.8	-176.5	73.1	0	0	0	0	112.3	D92	D92-S94 VanDerWaalsContact C-N 3.28Å; D92-S94 PolarHBondContact O-N 2.92Å; D92-S94 WeakPolarHBondContact OD1-CB 3.06Å; D92-S94 PolarHBondContact OD1-N 3.11Å; D92-S94 PolarHBondContact OD1-OG 2.9Å; D92-S94 PolarHBondContact OD2-OG 2.87Å
95	S	97.8	Very high	98	Very high	37 Å²	37	42 Å²	42	26%	0.259	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	6.1	178.7	67.8	0	0	0	0	113.5	D92 T97	D92-S95 WeakPolarHBondContact CB-OG 3.49Å; D92-S95 PolarHBondContact OD1-N 2.86Å; D92-S95 VanDerWaalsContact OD2-CB 3.29Å; D92-S95 WeakPolarHBondContact OD2-CB 3.3Å; D92-S95 PolarHBondContact OD2-OG 3.07Å; S95-T97 PolarHBondContact O-N 2.82Å; S95-T97 PolarHBondContact O-OG1 3.4Å; S95-T97 WeakPolarHBondContact OG-CB 3.2Å; S95-T97 PolarHBondContact OG-OG1 3.25Å
96	S	98.2	Very high	98	Very high	38 Å²	38	41.5 Å²	41.5	27%	0.266	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	43.6	-173	-63.3	0	0	0	0	112.9	A43 F48 D92 K93	A43-S96 PolarHBondContact N-O 2.97Å; A43-S96 WeakPolarHBondContact O-CB 3.38Å; F48-S96 VanDerWaalsContact CD1-CA 3.47Å; D92-S96 PolarHBondContact O-N 3Å; K93-S96 PolarHBondContact O-N 2.96Å
97	T	98.7	Very high	97.9	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.043	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.5	-173.1	-56.5	0	0	0	0	111.3	C41 K42 D92 S95 Y99	C41-T97 WeakPolarHBondContact O-CA 3.36Å; K42-T97 HydrophobicContact CB-CG2 4.48Å; D92-T97 PolarHBondContact N-O 2.96Å; D92-T97 PolarHBondContact O-N 3.26Å; S95-T97 PolarHBondContact O-N 2.82Å; S95-T97 PolarHBondContact O-OG1 3.4Å; S95-T97 WeakPolarHBondContact OG-CB 3.2Å; S95-T97 PolarHBondContact OG-OG1 3.25Å; T97-Y99 HydrophobicContact CG2-CD1 4.23Å; T97-Y99 HydrophobicContact CG2-CD2 4.26Å; T97-Y99 HydrophobicContact CG2-CE1 3.68Å; T97-Y99 HydrophobicContact CG2-CE2 3.69Å
98	A	98.7	Very high	97.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	147.1	165.9	0	0	0	0	0	109.6	S40 C41 F48 I53 W55 I70	S40-A98 CarbonylContact C-O 3.55Å; C41-A98 PolarHBondContact N-O 3Å; C41-A98 PolarHBondContact O-N 3.09Å; F48-A98 HydrophobicContact CE2-CB 4.48Å; F48-A98 HydrophobicContact CZ-CB 4.1Å; I53-A98 HydrophobicContact CB-CB 4.23Å; I53-A98 HydrophobicContact CG1-CB 4.18Å; I53-A98 HydrophobicContact CG2-CB 4.04Å; W55-A98 HydrophobicContact CZ2-CB 4.41Å; I70-A98 HydrophobicContact CG2-CB 4.21Å
99	Y	98.7	Very high	97.6	Very high	52 Å²	52	48.5 Å²	48.5	20%	0.204	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.7	176.5	-56.8	-90.7	0	0	0	111.1	K38 I39 L89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.27Å; K38-Y99 VanDerWaalsContact CE-CG 3.47Å; K38-Y99 HydrophobicContact CG-CD1 4.24Å; I39-Y99 CarbonylContact O-C 3.45Å; I39-Y99 VanDerWaalsContact O-CA 3.23Å; I39-Y99 WeakPolarHBondContact O-CA 3.18Å; L89-Y99 WeakPolarHBondContact CA-O 2.94Å; T90-Y99 PolarHBondContact N-O 3.33Å; T90-Y99 PolarHBondContact O-N 3.11Å; D92-Y99 HydrophobicContact CB-CE2 3.9Å; T97-Y99 HydrophobicContact CG2-CD1 4.23Å; T97-Y99 HydrophobicContact CG2-CD2 4.26Å; T97-Y99 HydrophobicContact CG2-CE1 3.68Å; T97-Y99 HydrophobicContact CG2-CE2 3.69Å
100	M	98.6	Very high	97.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	118.4	167.1	178.4	172.9	67.2	0	0	109	K38 I39 W55 I67 L89 L102 Y113	K38-M100 WeakPolarHBondContact CA-O 3.36Å; I39-M100 HydrophobicContact CD1-CE 3.79Å; I39-M100 PolarHBondContact N-O 2.72Å; I39-M100 PolarHBondContact O-N 3.3Å; W55-M100 HydrophobicContact CB-SD 3.88Å; W55-M100 HydrophobicContact CD2-CB 3.71Å; W55-M100 HydrophobicContact CD2-CE 4.11Å; W55-M100 HydrophobicContact CD2-CG 4.4Å; W55-M100 HydrophobicContact CD2-SD 3.9Å; W55-M100 HydrophobicContact CE3-CB 3.87Å; W55-M100 HydrophobicContact CE3-CE 3.47Å; W55-M100 VanDerWaalsContact CE3-CE 3.47Å; W55-M100 HydrophobicContact CE3-SD 3.91Å; W55-M100 HydrophobicContact CG-CB 4.34Å; W55-M100 HydrophobicContact CG-SD 3.92Å; W55-M100 HydrophobicContact CH2-CB 3.88Å; W55-M100 HydrophobicContact CZ2-CB 3.75Å; W55-M100 HydrophobicContact CZ3-CB 3.95Å; W55-M100 HydrophobicContact CZ3-CE 3.93Å; I67-M100 HydrophobicContact CD1-CE 3.97Å; I67-M100 HydrophobicContact CD1-SD 3.64Å; I67-M100 HydrophobicContact CG2-SD 4.06Å; L89-M100 HydrophobicContact CD2-CB 3.76Å; L89-M100 HydrophobicContact CD2-CG 3.67Å; L89-M100 HydrophobicContact CD2-SD 4.13Å; M100-L102 HydrophobicContact CE-CD1 3.98Å; M100-L102 HydrophobicContact CE-CD2 4.4Å; M100-L102 HydrophobicContact CE-CG 4.16Å; M100-L102 HydrophobicContact CG-CD2 4.27Å; M100-L102 HydrophobicContact CG-CG 4.2Å; M100-L102 HydrophobicContact SD-CD2 4.09Å; M100-L102 HydrophobicContact SD-CG 4.35Å; M100-Y113 HydrophobicContact CE-CD1 3.53Å; M100-Y113 HydrophobicContact CE-CE1 4.17Å; M100-Y113 HydrophobicContact CE-CG 4.04Å
101	L	98.5	Very high	97.4	Very high	61 Å²	61	50.8 Å²	50.8	32%	0.319	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.4	168	177.9	70.3	0	0	0	108.3	V37 K38 A87 T88	V37-L101 WeakPolarHBondContact O-CA 3.5Å; K38-L101 HydrophobicContact CB-CD1 4.19Å; A87-L101 CarbonylContact C-O 3.58Å; A87-L101 WeakPolarHBondContact CA-O 3.46Å; T88-L101 PolarHBondContact N-O 3.46Å; T88-L101 PolarHBondContact O-N 3.49Å
102	L	98.1	Very high	97.4	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.5	168.8	-63	166.7	0	0	0	108.4	S36 V37 I39 K86 A87 M100 L105 Y113	S36-L102 CarbonylContact C-O 3.57Å; S36-L102 WeakPolarHBondContact CA-O 3.45Å; S36-L102 VanDerWaalsContact CB-O 3.3Å; S36-L102 WeakPolarHBondContact CB-O 3.36Å; V37-L102 HydrophobicContact CG1-CB 4.15Å; V37-L102 HydrophobicContact CG1-CD1 4.3Å; V37-L102 PolarHBondContact N-O 2.99Å; V37-L102 PolarHBondContact O-N 2.77Å; I39-L102 HydrophobicContact CD1-CD1 4.36Å; K86-L102 WeakPolarHBondContact O-CA 3.49Å; A87-L102 HydrophobicContact CB-CD2 3.83Å; M100-L102 HydrophobicContact CE-CD1 3.98Å; M100-L102 HydrophobicContact CE-CD2 4.4Å; M100-L102 HydrophobicContact CE-CG 4.16Å; M100-L102 HydrophobicContact CG-CD2 4.27Å; M100-L102 HydrophobicContact CG-CG 4.2Å; M100-L102 HydrophobicContact SD-CD2 4.09Å; M100-L102 HydrophobicContact SD-CG 4.35Å; L102-L105 HydrophobicContact CB-CD2 3.74Å; L102-L105 HydrophobicContact CB-CG 4.47Å; L102-L105 HydrophobicContact CD1-CD2 4.32Å; L102-Y113 HydrophobicContact CD1-CD1 4.13Å; L102-Y113 HydrophobicContact CD1-CE1 3.52Å; L102-Y113 HydrophobicContact CD1-CE2 3.98Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.43Å
103	S	97.7	Very high	97.4	Very high	30 Å²	30	51.5 Å²	51.5	21%	0.21	31%	0.308	C	S	.	.			trans	-112.8	157.1	-176.9	-60.7	0	0	0	0	113.1	S36 K86 L105	S36-S103 WeakPolarHBondContact OG-CA 3.44Å; S36-S103 WeakPolarHBondContact OG-CB 3.2Å; S36-S103 PolarHBondContact OG-OG 3Å; K86-S103 WeakPolarHBondContact CD-O 3.48Å; K86-S103 WeakPolarHBondContact CE-O 3.25Å; K86-S103 PolarHBondContact NZ-O 3.04Å; K86-S103 PolarHBondContact O-N 2.85Å; S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 3.01Å
104	S	97.1	Very high	97.4	Very high	80 Å²	80	50.3 Å²	50.3	56%	0.559	30%	0.303	S	S	*	.	S	Bend	trans	53.4	46.6	174.2	-52.8	0	0	0	0	112.8	A35 K86	A35-S104 PolarHBondContact O-N 2.6Å; K86-S104 PolarHBondContact NZ-O 3.38Å
105	L	97.6	Very high	97.4	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.063	27%	0.27	C	S	.	.			trans	-61.8	144.3	-170.5	-69.9	167.1	0	0	0	112.9	V31 P33 G34 A35 V37 L102 S103 D109	V31-L105 HydrophobicContact CB-CD1 4.49Å; V31-L105 HydrophobicContact CG2-CD1 3.55Å; P33-L105 CarbonylContact C-O 3.57Å; P33-L105 WeakPolarHBondContact CA-O 3.32Å; G34-L105 PolarHBondContact N-O 2.89Å; A35-L105 WeakPolarHBondContact O-CB 3.12Å; A35-L105 WeakPolarHBondContact O-CG 3.39Å; A35-L105 PolarHBondContact O-N 3.15Å; V37-L105 HydrophobicContact CB-CD1 3.99Å; V37-L105 HydrophobicContact CG1-CD1 3.73Å; L102-L105 HydrophobicContact CB-CD2 3.74Å; L102-L105 HydrophobicContact CB-CG 4.47Å; L102-L105 HydrophobicContact CD1-CD2 4.32Å; S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 3.01Å; L105-D109 HydrophobicContact CD2-CB 3.54Å
106	T	96.5	Very high	97.4	Very high	67 Å²	67	45.7 Å²	45.7	41%	0.411	27%	0.273	S	S	.	.			trans	-120	175	173.6	68.6	0	0	0	0	110.4	E108 D109	T106-E108 PolarHBondContact O-N 2.87Å; T106-E108 PolarHBondContact OG1-N 3.09Å; T106-D109 PolarHBondContact N-OD2 3.19Å; T106-D109 WeakPolarHBondContact O-CB 3.49Å; T106-D109 PolarHBondContact O-N 3.01Å
107	S	94.9	Very high	97.2	Very high	105 Å²	105	49.5 Å²	49.5	73%	0.734	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-58.4	-28.1	173	50.6	0	0	0	0	112.7	D109 S110	S107-D109 PolarHBondContact O-N 3.08Å; S107-S110 WeakPolarHBondContact O-CB 3.44Å; S107-S110 PolarHBondContact O-N 3.21Å
108	E	93.7	Very high	97.1	Very high	133 Å²	133	51.7 Å²	51.7	62%	0.621	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-68.9	-12.8	175.2	-59.3	-176.5	178.2	0	0	113.4	K57 R59 T106	K57-E108 WeakPolarHBondContact CE-O 3.4Å; K57-E108 PolarHBondContact NZ-O 2.97Å; R59-E108 PolarHBondContact NE-O 2.92Å; R59-E108 PolarHBondContact NH2-O 3.12Å; T106-E108 PolarHBondContact O-N 2.87Å; T106-E108 PolarHBondContact OG1-N 3.09Å
109	D	95.7	Very high	97	Very high	18 Å²	18	54.4 Å²	54.4	10%	0.096	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-91.1	-3.3	175.3	-62.4	-50.3	0	0	0	113.7	K57 K86 L105 T106 S107 A111 Y113	K57-D109 IonicContact NZ-OD1 2.84Å; K57-D109 PolarHBondContact NZ-OD1 2.77Å; K86-D109 WeakPolarHBondContact CE-OD2 3.36Å; K86-D109 IonicContact NZ-OD2 3.66Å; K86-D109 PolarHBondContact NZ-OD2 3.14Å; L105-D109 HydrophobicContact CD2-CB 3.54Å; T106-D109 PolarHBondContact N-OD2 3.19Å; T106-D109 WeakPolarHBondContact O-CB 3.49Å; T106-D109 PolarHBondContact O-N 3.01Å; S107-D109 PolarHBondContact O-N 3.08Å; D109-A111 PolarHBondContact O-N 3.24Å; D109-Y113 WeakPolarHBondContact O-CE2 3.33Å; D109-Y113 PolarHBondContact O-OH 2.92Å
110	S	96.5	Very high	96.9	Very high	90 Å²	90	54.5 Å²	54.5	63%	0.629	32%	0.315	S	S	*	.			trans	-65.6	104.7	171	-175.4	0	0	0	0	110.2	S107	S107-S110 WeakPolarHBondContact O-CB 3.44Å; S107-S110 PolarHBondContact O-N 3.21Å
111	A	97.3	Very high	96.8	Very high	27 Å²	27	57.7 Å²	57.7	22%	0.223	33%	0.333	C	S	.	.	S	Bend	trans	-158.8	165	-172.3	0	0	0	0	0	111	K57 Q58 R59 D109 Y113	K57-A111 HydrophobicContact CD-CB 4.21Å; K57-A111 HydrophobicContact CG-CB 3.54Å; Q58-A111 WeakPolarHBondContact O-CA 3.44Å; Q58-A111 VanDerWaalsContact O-CB 3.28Å; Q58-A111 WeakPolarHBondContact O-CB 3.45Å; R59-A111 HydrophobicContact CG-CB 4.17Å; D109-A111 PolarHBondContact O-N 3.24Å; A111-Y113 HydrophobicContact CB-CD2 4.34Å; A111-Y113 HydrophobicContact CB-CE2 3.83Å
112	V	97.4	Very high	96.7	Very high	79 Å²	79	57.5 Å²	57.5	48%	0.479	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	133.9	160	-174.3	0	0	0	0	107.8	Q58 F114	Q58-V112 PolarHBondContact N-O 3.31Å; Q58-V112 PolarHBondContact O-N 2.96Å; V112-F114 HydrophobicContact CB-CE2 4.04Å; V112-F114 HydrophobicContact CB-CZ 4.09Å; V112-F114 HydrophobicContact CG1-CD1 4.35Å; V112-F114 HydrophobicContact CG1-CD2 4.27Å; V112-F114 HydrophobicContact CG1-CE1 3.73Å; V112-F114 HydrophobicContact CG1-CE2 3.64Å; V112-F114 HydrophobicContact CG1-CZ 3.34Å
113	Y	98.2	Very high	96.6	Very high	27 Å²	27	61.3 Å²	61.3	11%	0.106	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.9	176.6	-70	-89.1	0	0	0	108.8	Q25 I39 V56 K57 I67 M100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 3.4Å; Q25-Y113 PolarHBondContact OE1-O 3.3Å; I39-Y113 HydrophobicContact CD1-CD2 4.07Å; I39-Y113 HydrophobicContact CD1-CG 3.92Å; V56-Y113 CarbonylContact O-C 3.55Å; V56-Y113 WeakPolarHBondContact O-CA 3.21Å; K57-Y113 HydrophobicContact CB-CD1 4.17Å; K57-Y113 HydrophobicContact CB-CE1 3.93Å; K57-Y113 HydrophobicContact CD-CE1 3.99Å; K57-Y113 WeakPolarHBondContact CE-OH 3.48Å; K57-Y113 HydrophobicContact CG-CD1 4.28Å; K57-Y113 HydrophobicContact CG-CE1 3.73Å; I67-Y113 HydrophobicContact CD1-CD1 3.7Å; I67-Y113 HydrophobicContact CD1-CE1 3.79Å; M100-Y113 HydrophobicContact CE-CD1 3.53Å; M100-Y113 HydrophobicContact CE-CE1 4.17Å; M100-Y113 HydrophobicContact CE-CG 4.04Å; L102-Y113 HydrophobicContact CD1-CD1 4.13Å; L102-Y113 HydrophobicContact CD1-CE1 3.52Å; L102-Y113 HydrophobicContact CD1-CE2 3.98Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.43Å; D109-Y113 WeakPolarHBondContact O-CE2 3.33Å; D109-Y113 PolarHBondContact O-OH 2.92Å; A111-Y113 HydrophobicContact CB-CD2 4.34Å; A111-Y113 HydrophobicContact CB-CE2 3.83Å
114	F	98.2	Very high	96.6	Very high	81 Å²	81	63.5 Å²	63.5	36%	0.355	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.1	178.8	-59.9	-79.3	0	0	0	110.3	W55 V56 Q58 V112	W55-F114 WeakPolarHBondContact CA-O 3.43Å; V56-F114 HydrophobicContact CB-CB 4.48Å; V56-F114 PolarHBondContact N-O 3.35Å; V56-F114 PolarHBondContact O-N 2.97Å; Q58-F114 HydrophobicContact CB-CD2 4.45Å; Q58-F114 HydrophobicContact CB-CE2 3.83Å; Q58-F114 VanDerWaalsContact OE1-CE2 3.32Å; V112-F114 HydrophobicContact CB-CE2 4.04Å; V112-F114 HydrophobicContact CB-CZ 4.09Å; V112-F114 HydrophobicContact CG1-CD1 4.35Å; V112-F114 HydrophobicContact CG1-CD2 4.27Å; V112-F114 HydrophobicContact CG1-CE1 3.73Å; V112-F114 HydrophobicContact CG1-CE2 3.64Å; V112-F114 HydrophobicContact CG1-CZ 3.34Å
115	C	98.2	Very high	96.5	Very high	12 Å²	12	62.2 Å²	62.2	8%	0.081	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	139.6	156.2	67.1	0	0	0	0	109.9	Q25 C41 I53 N54 W55	Q25-C115 HydrophobicContact CG-CB 4.47Å; Q25-C115 WeakPolarHBondContact CG-SG 3.43Å; C41-C115 HydrophobicContact CB-CB 3.51Å; C41-C115 WeakPolarHBondContact CB-SG 3.48Å; C41-C115 WeakPolarHBondContact SG-CB 2.98Å; C41-C115 CovalentContact SG-SG 2.03Å; C41-C115 PolarHBondContact SG-SG 2.74Å; I53-C115 HydrophobicContact CG2-CB 4.07Å; N54-C115 CarbonylContact O-C 3.56Å; N54-C115 VanDerWaalsContact O-CA 3.29Å; N54-C115 WeakPolarHBondContact O-CA 3.29Å; W55-C115 HydrophobicContact CD2-CB 4.38Å; W55-C115 HydrophobicContact CE3-CB 4.17Å; W55-C115 HydrophobicContact CH2-CB 4.2Å; W55-C115 HydrophobicContact CZ2-CB 4.37Å; W55-C115 HydrophobicContact CZ3-CB 4.08Å
116	A	97.7	Very high	96.4	Very high	40 Å²	40	66.4 Å²	66.4	33%	0.331	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	151.5	180	0	0	0	0	0	110.5	I53 N54	I53-A116 CarbonylContact C-O 3.57Å; I53-A116 WeakPolarHBondContact CA-O 3.35Å; N54-A116 HydrophobicContact CB-CB 4.41Å; N54-A116 PolarHBondContact N-O 2.82Å; N54-A116 PolarHBondContact O-N 2.92Å
117	R	92.9	Very high	96.4	Very high	118 Å²	118	66.4 Å²	66.4	45%	0.445	37%	0.373	S	S	.	.			trans	-115.4	0	172	-173.5	-165.4	76.9	171.3	2.2	108.9	L23 Y46 Y51 I53	L23-R117 HydrophobicContact CD1-CB 4.2Å; Y46-R117 VanDerWaalsContact CD1-NH1 3.27Å; Y46-R117 HydrophobicContact CE2-CG 4.37Å; Y46-R117 VanDerWaalsContact CZ-CD 3.44Å; Y51-R117 HydrophobicContact CD1-CG 4.14Å; Y51-R117 HydrophobicContact CG-CG 3.98Å; I53-R117 HydrophobicContact CD1-CB 4.4Å

Retrieved 117 of 117 residues in 89.1 ms (Link to these results)

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