A0A087XBH5_POEFO Loading...

ADP-ribosylation factor-like protein 1

GTP-binding protein that recruits several effectors, such as golgins, arfaptins and Arf-GEFs to the trans-Golgi network, and modulates their functions at the Golgi complex. Plays thereby a role in a wide range of fundamental cellular processes, including cell polarity, innate immunity, or protein secretion mediated by arfaptins, which were shown to play a role in maintaining insulin secretion from pancreatic beta cells.

AlphaFold DB (A0A3B3U9P9), UniProt , Accession A0A087XBH5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 181 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	37.4	Very low	40.3	Very low	248 Å²	248	135.2 Å²	135.2	100%	1.222	82%	0.816	S	S	*	*				0	117	0	-100.8	-112.6	-80.5	0	0	107.6
2	G	33.8	Very low	40.7	Very low	85 Å²	85	137.8 Å²	137.8	88%	0.876	82%	0.821	S	S	*	*			trans	81.5	102.7	-178.7	0	0	0	0	0	112.9
3	G	31.8	Very low	41.5	Very low	70 Å²	70	130.5 Å²	130.5	72%	0.722	77%	0.772	S	S	*	*			cis	145.8	97.5	14	0	0	0	0	0	106.7	F5	G3-F5 PolarHBondContact O-N 2.93Å
4	F	45.8	Very low	42.4	Very low	202 Å²	202	124.4 Å²	124.4	89%	0.886	75%	0.75	S	S	*	*			trans	-13.7	118.1	158.9	-81.1	-108.3	0	0	0	114.7
5	F	38.9	Very low	43.3	Very low	168 Å²	168	126.3 Å²	126.3	74%	0.737	76%	0.763	S	S	*	*			trans	-168.9	23.4	147.8	-90.6	-59.6	0	0	0	114.5	G3 F9	G3-F5 PolarHBondContact O-N 2.93Å; F5-F9 HydrophobicContact CD1-CE2 4.33Å
6	S	36.6	Very low	44.9	Very low	129 Å²	129	127.9 Å²	127.9	90%	0.902	75%	0.751	S	S	*	*	S	Bend	trans	-92.5	6.1	-177.9	64.7	0	0	0	0	116.2
7	S	39.3	Very low	46.5	Very low	101 Å²	101	125.8 Å²	125.8	71%	0.706	73%	0.732	S	S	*	*	S	Bend	trans	-143.3	17.6	-166.6	-172.3	0	0	0	0	117.5
8	L	41.1	Very low	48.5	Very low	150 Å²	150	119.3 Å²	119.3	79%	0.785	69%	0.694	S	S	*	*	S	Bend	trans	-119.8	12.9	-177.7	-79.7	170.5	0	0	0	115.9
9	F	47.3	Very low	50.5	Low	157 Å²	157	115.4 Å²	115.4	69%	0.689	67%	0.666	S	S	*	*	S	Bend	trans	-108.9	5.4	-172.2	-71.7	-76.2	0	0	0	116.2	F5	F5-F9 HydrophobicContact CD1-CE2 4.33Å
10	S	44.2	Very low	52.5	Low	113 Å²	113	109.7 Å²	109.7	79%	0.79	63%	0.633	S	S	*	*	S	Bend	trans	-89.1	-7.6	-178	53.7	0	0	0	0	115.3
11	G	46.8	Very low	54.3	Low	64 Å²	64	104.4 Å²	104.4	66%	0.66	60%	0.603	S	S	*	*	S	Bend	trans	-105.1	-2.4	-160.6	0	0	0	0	0	118.7
12	L	45.7	Very low	56.9	Low	167 Å²	167	92.6 Å²	92.6	87%	0.874	55%	0.545	S	S	*	.			trans	-135.8	33	-170	-70.3	171.5	0	0	0	113.9
13	F	51.6	Low	59.7	Low	43 Å²	43	88.6 Å²	88.6	19%	0.189	50%	0.503	C	S	.	.			trans	-99.2	111.4	159	-135	-93.2	0	0	0	107.8	M18 L61 K178	F13-M18 HydrophobicContact CE1-CE 3.73Å; F13-M18 HydrophobicContact CE1-CG 4.14Å; F13-M18 HydrophobicContact CZ-CE 3.46Å; F13-M18 VanDerWaalsContact CZ-CE 3.46Å; F13-M18 HydrophobicContact CZ-CG 4.28Å; F13-L61 HydrophobicContact CD1-CD2 3.24Å; F13-L61 HydrophobicContact CD2-CD2 3.67Å; F13-L61 HydrophobicContact CE1-CD2 3.08Å; F13-L61 HydrophobicContact CE1-CG 4.46Å; F13-L61 HydrophobicContact CE2-CD1 4.23Å; F13-L61 HydrophobicContact CE2-CD2 3.51Å; F13-L61 HydrophobicContact CG-CD2 3.52Å; F13-L61 HydrophobicContact CZ-CD1 4.12Å; F13-L61 HydrophobicContact CZ-CD2 3.2Å; F13-L61 HydrophobicContact CZ-CG 4.31Å; F13-K178 HydrophobicContact CD2-CG 4.32Å; F13-K178 HydrophobicContact CE2-CG 3.77Å
14	G	53.8	Low	62.7	Low	45 Å²	45	85.2 Å²	85.2	46%	0.464	47%	0.468	S	S	.	.			trans	-53.1	147.3	167.6	0	0	0	0	0	109.3	R16	G14-R16 PolarHBondContact O-N 3.09Å
15	T	55.3	Low	64.8	Low	153 Å²	153	76.1 Å²	76.1	94%	0.939	43%	0.429	S	S	*	.	S	Bend	trans	-59.9	9.5	-178.7	49.8	0	0	0	0	115.2	E17	T15-E17 PolarHBondContact O-N 3.34Å
16	R	69.1	Low	67.2	Low	152 Å²	152	70.4 Å²	70.4	57%	0.574	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-77.9	118	-177.5	178.1	174.9	166.2	162.1	-5.7	110	G14 D86	G14-R16 PolarHBondContact O-N 3.09Å; R16-D86 IonicContact NH2-OD1 3.18Å; R16-D86 PolarHBondContact NH2-OD1 3.5Å
17	E	72.1	Confident	69.7	Low	92 Å²	92	66.7 Å²	66.7	43%	0.43	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-61.9	134.4	167.4	-62.7	-170.1	163.4	0	0	110	T15 K62 Q64	T15-E17 PolarHBondContact O-N 3.34Å; E17-K62 HydrophobicContact CG-CB 4.4Å; E17-Q64 PolarHBondContact OE2-NE2 3.08Å
18	M	83.5	Confident	72.3	Confident	8 Å²	8	61.9 Å²	61.9	4%	0.039	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	138.2	177.2	-67.1	-67.2	-165.8	0	0	109.4	F13 K62 F63 Q64 D86	F13-M18 HydrophobicContact CE1-CE 3.73Å; F13-M18 HydrophobicContact CE1-CG 4.14Å; F13-M18 HydrophobicContact CZ-CE 3.46Å; F13-M18 VanDerWaalsContact CZ-CE 3.46Å; F13-M18 HydrophobicContact CZ-CG 4.28Å; M18-K62 PolarHBondContact N-O 3.25Å; M18-F63 HydrophobicContact CB-CD1 4.06Å; M18-F63 HydrophobicContact CB-CE1 4.21Å; M18-F63 WeakPolarHBondContact O-CA 3.44Å; M18-Q64 PolarHBondContact O-N 3.33Å; M18-D86 WeakPolarHBondContact CA-OD2 3.43Å; M18-D86 HydrophobicContact SD-CB 4.1Å
19	R	86.4	Confident	74.7	Confident	45 Å²	45	55.4 Å²	55.4	17%	0.17	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	121.5	177.2	-170	179.9	-173	172.2	5.9	110.4	W66 Y81 S83 N84 D86 A87	R19-W66 VanDerWaalsContact NH2-CZ2 3.27Å; R19-Y81 PolarHBondContact NH2-O 2.92Å; R19-S83 PolarHBondContact NH1-O 3.25Å; R19-N84 VanDerWaalsContact CB-O 3.28Å; R19-N84 WeakPolarHBondContact CB-O 3.37Å; R19-N84 WeakPolarHBondContact CD-O 3.36Å; R19-D86 PolarHBondContact N-OD2 2.9Å; R19-D86 PolarHBondContact O-N 2.98Å; R19-A87 PolarHBondContact O-N 3.28Å
20	I	88.8	Confident	76.7	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.3	175.5	-63.1	-177.5	0	0	0	109.7	F63 Q64 V65 W66 A87 I89 M170 L173	I20-F63 HydrophobicContact CD1-CB 4.08Å; I20-F63 HydrophobicContact CD1-CD1 3.05Å; I20-F63 HydrophobicContact CD1-CE1 3.46Å; I20-F63 VanDerWaalsContact CD1-CE1 3.46Å; I20-F63 HydrophobicContact CD1-CG 3.67Å; I20-F63 HydrophobicContact CD1-CZ 4.4Å; I20-F63 HydrophobicContact CG1-CB 4.43Å; I20-F63 HydrophobicContact CG1-CD1 3.65Å; I20-F63 HydrophobicContact CG1-CE1 4.31Å; I20-F63 HydrophobicContact CG1-CG 4.38Å; I20-Q64 CarbonylContact C-O 3.51Å; I20-Q64 PolarHBondContact N-O 3.13Å; I20-V65 WeakPolarHBondContact O-CA 3.05Å; I20-W66 PolarHBondContact O-N 3.37Å; I20-A87 WeakPolarHBondContact CA-O 3.43Å; I20-A87 HydrophobicContact CG1-CB 4.4Å; I20-I89 HydrophobicContact CG2-CD1 3.79Å; I20-I89 HydrophobicContact CG2-CG1 3.87Å; I20-M170 HydrophobicContact CD1-CE 4.5Å; I20-L173 HydrophobicContact CD1-CD2 3.59Å
21	L	91	Very high	78.7	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.5	168.7	-58	-178.2	0	0	0	109.7	L23 W66 Y82 T85 A87 V88 I89 L116	L21-L23 HydrophobicContact CB-CD1 4.18Å; L21-L23 HydrophobicContact CB-CG 4.16Å; L21-L23 HydrophobicContact CD1-CD1 4.35Å; L21-W66 HydrophobicContact CD2-CB 3.48Å; L21-W66 VanDerWaalsContact CD2-CB 3.48Å; L21-W66 HydrophobicContact CD2-CD2 4.45Å; L21-W66 HydrophobicContact CD2-CG 3.52Å; L21-Y82 HydrophobicContact CD1-CD1 3.8Å; L21-Y82 HydrophobicContact CD1-CE1 4.46Å; L21-T85 HydrophobicContact CB-CG2 4.4Å; L21-T85 HydrophobicContact CD1-CG2 3.96Å; L21-T85 VanDerWaalsContact CD1-OG1 3.29Å; L21-T85 WeakPolarHBondContact CD1-OG1 3.4Å; L21-T85 HydrophobicContact CG-CG2 3.75Å; L21-T85 WeakPolarHBondContact CG-OG1 3.48Å; L21-A87 PolarHBondContact N-O 3.16Å; L21-V88 HydrophobicContact CB-CG2 4.46Å; L21-V88 CarbonylContact O-C 3.6Å; L21-V88 WeakPolarHBondContact O-CA 3.45Å; L21-I89 PolarHBondContact O-N 2.98Å; L21-L116 HydrophobicContact CD1-CD2 4.47Å
22	I	91.8	Very high	80.7	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	115.2	167.2	-62	-177.1	0	0	0	108.2	K30 I33 L34 V65 W66 I89 V91	I22-K30 HydrophobicContact CG2-CB 3.65Å; I22-K30 HydrophobicContact CG2-CD 4.04Å; I22-K30 HydrophobicContact CG2-CG 3.77Å; I22-I33 HydrophobicContact CD1-CG2 4.3Å; I22-L34 HydrophobicContact CD1-CB 4.41Å; I22-V65 HydrophobicContact CB-CG1 4.19Å; I22-V65 HydrophobicContact CD1-CG1 3.32Å; I22-V65 HydrophobicContact CG1-CG1 3.47Å; I22-V65 VanDerWaalsContact CG1-CG1 3.47Å; I22-W66 PolarHBondContact N-O 3Å; I22-W66 VanDerWaalsContact O-O 3.06Å; I22-I89 CarbonylContact C-O 3.58Å; I22-I89 WeakPolarHBondContact CA-O 3.4Å; I22-I89 HydrophobicContact CG1-CB 4.08Å; I22-I89 HydrophobicContact CG1-CD1 4.3Å; I22-I89 HydrophobicContact CG1-CG2 4.48Å; I22-V91 HydrophobicContact CG2-CG2 3.67Å
23	L	92.8	Very high	82.7	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	168.5	-175.1	-60.8	175.9	0	0	0	110.9	L21 K30 L68 W78 Y82 V88 I89 Y90 V91 M110	L21-L23 HydrophobicContact CB-CD1 4.18Å; L21-L23 HydrophobicContact CB-CG 4.16Å; L21-L23 HydrophobicContact CD1-CD1 4.35Å; L23-K30 WeakPolarHBondContact O-CD 3.37Å; L23-L68 HydrophobicContact CD2-CB 3.79Å; L23-L68 HydrophobicContact CD2-CD1 3.48Å; L23-L68 VanDerWaalsContact CD2-CD1 3.48Å; L23-L68 HydrophobicContact CD2-CG 3.65Å; L23-W78 HydrophobicContact CD2-CD2 4.05Å; L23-W78 HydrophobicContact CD2-CG 4.1Å; L23-Y82 HydrophobicContact CD1-CE1 3.98Å; L23-V88 HydrophobicContact CB-CG1 4.41Å; L23-V88 HydrophobicContact CD1-CG1 4.11Å; L23-V88 HydrophobicContact CG-CG1 4.43Å; L23-I89 PolarHBondContact N-O 2.94Å; L23-Y90 HydrophobicContact CB-CD2 4.16Å; L23-Y90 CarbonylContact O-C 3.56Å; L23-Y90 WeakPolarHBondContact O-CA 3.22Å; L23-V91 PolarHBondContact O-N 2.86Å; L23-M110 HydrophobicContact CB-SD 4.24Å; L23-M110 HydrophobicContact CD1-CG 4.28Å; L23-M110 HydrophobicContact CD1-SD 3.31Å; L23-M110 WeakPolarHBondContact CD1-SD 3.26Å; L23-M110 HydrophobicContact CG-SD 4.38Å
24	G	93.9	Very high	84.3	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.186	C	C	.	.			trans	133.8	169.8	-174.6	0	0	0	0	0	112.3	K30 G70	G24-K30 WeakPolarHBondContact O-CE 3.31Å; G24-K30 PolarHBondContact O-NZ 2.76Å; G24-G70 WeakPolarHBondContact O-CA 3.25Å
25	L	91.9	Very high	85.5	Confident	10 Å²	10	32.8 Å²	32.8	5%	0.052	18%	0.175	C	C	.	.			trans	-63.7	161.7	-175.4	-54	-168.6	0	0	0	112.6	A28 K30 R99 I102 E106	L25-A28 VanDerWaalsContact O-CB 3.27Å; L25-A28 WeakPolarHBondContact O-CB 3.42Å; L25-A28 PolarHBondContact O-N 2.95Å; L25-K30 PolarHBondContact O-NZ 2.99Å; L25-R99 HydrophobicContact CD1-CB 3.87Å; L25-I102 HydrophobicContact CD1-CB 4.26Å; L25-I102 HydrophobicContact CD1-CG2 4.17Å; L25-I102 HydrophobicContact CD2-CG2 4.18Å; L25-E106 HydrophobicContact CD2-CG 4.04Å
26	D	88.4	Confident	86.9	Confident	49 Å²	49	28.8 Å²	28.8	26%	0.262	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	144.9	169.7	58.8	-79.5	0	0	0	110.8	A28 G70 Q71 R75 R99	D26-A28 PolarHBondContact O-N 3.1Å; D26-G70 PolarHBondContact N-O 2.76Å; D26-G70 VanDerWaalsContact OD1-O 3.05Å; D26-Q71 HydrophobicContact CB-CG 4.05Å; D26-R75 IonicContact OD1-NH2 3.96Å; D26-R99 PolarHBondContact O-NH1 2.76Å; D26-R99 PolarHBondContact O-NH2 3.08Å; D26-R99 IonicContact OD1-NH1 2.64Å; D26-R99 PolarHBondContact OD1-NH1 3.25Å; D26-R99 IonicContact OD2-CZ 3.11Å; D26-R99 IonicContact OD2-NH1 2.66Å; D26-R99 PolarHBondContact OD2-NH1 3.08Å
27	G	88.5	Confident	87.3	Confident	50 Å²	50	22.6 Å²	22.6	52%	0.515	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	-6.4	-176.4	0	0	0	0	0	115.4	G29 K127	G27-G29 PolarHBondContact O-N 3.36Å; G27-K127 WeakPolarHBondContact O-CE 3.49Å; G27-K127 PolarHBondContact O-NZ 2.96Å
28	A	93.9	Very high	87.2	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.008	12%	0.117	C	C	.	.	S	Bend	trans	-66.7	-17	-179.4	0	0	0	0	0	114.9	L25 D26 V91 N126	L25-A28 VanDerWaalsContact O-CB 3.27Å; L25-A28 WeakPolarHBondContact O-CB 3.42Å; L25-A28 PolarHBondContact O-N 2.95Å; D26-A28 PolarHBondContact O-N 3.1Å; A28-V91 HydrophobicContact CB-CB 4.33Å; A28-V91 HydrophobicContact CB-CG1 4.06Å; A28-V91 WeakPolarHBondContact CB-O 2.99Å; A28-V91 VanDerWaalsContact O-CG1 3.26Å; A28-V91 WeakPolarHBondContact O-CG1 3.46Å; A28-N126 PolarHBondContact O-ND2 3.46Å
29	G	92.1	Very high	86.2	Confident	14 Å²	14	25.3 Å²	25.3	14%	0.144	14%	0.139	C	C	.	.	S	Bend	trans	99.7	16	177.1	0	0	0	0	0	115.6	G27 T31 T32 I33	G27-G29 PolarHBondContact O-N 3.36Å; G29-T31 PolarHBondContact O-N 3.23Å; G29-T32 PolarHBondContact O-N 3.23Å; G29-I33 WeakPolarHBondContact O-CD1 3.48Å; G29-I33 WeakPolarHBondContact O-CG1 3.38Å; G29-I33 PolarHBondContact O-N 3.5Å
30	K	90.3	Very high	84.7	Confident	10 Å²	10	25.4 Å²	25.4	4%	0.043	15%	0.154	C	C	.	.	H	α-helix	trans	-51.4	-54.7	179.3	-60.5	-171.4	-55.9	-78.2	0	113.5	I22 L23 G24 L25 T32 I33 L34 D67 L68 V91	I22-K30 HydrophobicContact CG2-CB 3.65Å; I22-K30 HydrophobicContact CG2-CD 4.04Å; I22-K30 HydrophobicContact CG2-CG 3.77Å; L23-K30 WeakPolarHBondContact O-CD 3.37Å; G24-K30 WeakPolarHBondContact O-CE 3.31Å; G24-K30 PolarHBondContact O-NZ 2.76Å; L25-K30 PolarHBondContact O-NZ 2.99Å; K30-T32 VanDerWaalsContact C-N 3.32Å; K30-T32 PolarHBondContact O-N 3.43Å; K30-I33 WeakPolarHBondContact O-CB 3.3Å; K30-I33 PolarHBondContact O-N 2.68Å; K30-L34 PolarHBondContact O-N 2.97Å; K30-D67 WeakPolarHBondContact CB-OD1 3.34Å; K30-D67 VanDerWaalsContact CE-OD1 3.24Å; K30-D67 WeakPolarHBondContact CE-OD1 3.31Å; K30-L68 WeakPolarHBondContact CE-O 3.35Å; K30-L68 PolarHBondContact NZ-O 3.47Å; K30-V91 HydrophobicContact CG-CB 3.83Å; K30-V91 HydrophobicContact CG-CG1 4.48Å; K30-V91 HydrophobicContact CG-CG2 3.88Å
31	T	84.7	Confident	82.7	Confident	20 Å²	20	31.7 Å²	31.7	12%	0.123	18%	0.184	C	C	.	.	H	α-helix	trans	-62.3	-39	179.6	-34.9	0	0	0	0	111.9	G29 L34 Y35 T45 D67	G29-T31 PolarHBondContact O-N 3.23Å; T31-L34 WeakPolarHBondContact O-CB 3.22Å; T31-L34 PolarHBondContact O-N 3.07Å; T31-Y35 HydrophobicContact CG2-CD2 3.94Å; T31-Y35 HydrophobicContact CG2-CE2 3.65Å; T31-Y35 VanDerWaalsContact O-CD2 3.23Å; T31-Y35 WeakPolarHBondContact O-CD2 3.29Å; T31-Y35 PolarHBondContact O-N 3.4Å; T31-T45 HydrophobicContact CG2-CG2 3.53Å; T31-D67 WeakPolarHBondContact CA-OD2 3.13Å; T31-D67 VanDerWaalsContact CB-OD2 3.27Å; T31-D67 WeakPolarHBondContact CB-OD2 3.38Å; T31-D67 WeakPolarHBondContact CG2-OD2 3.47Å; T31-D67 PolarHBondContact OG1-OD2 3.42Å
32	T	88.3	Confident	80.6	Confident	21 Å²	21	34.9 Å²	34.9	13%	0.129	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-42.2	177.5	-49.8	0	0	0	0	111.5	G29 K30 L34 R36 V42 A160	G29-T32 PolarHBondContact O-N 3.23Å; K30-T32 VanDerWaalsContact C-N 3.32Å; K30-T32 PolarHBondContact O-N 3.43Å; T32-L34 VanDerWaalsContact C-N 3.34Å; T32-R36 VanDerWaalsContact O-CB 3.28Å; T32-R36 WeakPolarHBondContact O-CB 3.25Å; T32-R36 PolarHBondContact O-N 3.48Å; T32-V42 HydrophobicContact CG2-CG1 4.21Å; T32-A160 HydrophobicContact CG2-CB 3.73Å
33	I	88.9	Confident	78.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-46.1	173.6	-75.5	153.6	0	0	0	110.4	I22 G29 K30 Y35 R36 L37 V91 F124 A160 L166	I22-I33 HydrophobicContact CD1-CG2 4.3Å; G29-I33 WeakPolarHBondContact O-CD1 3.48Å; G29-I33 WeakPolarHBondContact O-CG1 3.38Å; G29-I33 PolarHBondContact O-N 3.5Å; K30-I33 WeakPolarHBondContact O-CB 3.3Å; K30-I33 PolarHBondContact O-N 2.68Å; I33-Y35 PolarHBondContact O-N 3.38Å; I33-R36 PolarHBondContact O-N 2.98Å; I33-L37 HydrophobicContact CG2-CD1 3.89Å; I33-L37 HydrophobicContact CG2-CG 4.35Å; I33-L37 WeakPolarHBondContact O-CG 3.3Å; I33-L37 PolarHBondContact O-N 3.49Å; I33-V91 HydrophobicContact CD1-CB 4.34Å; I33-V91 HydrophobicContact CD1-CG1 3.53Å; I33-V91 HydrophobicContact CD1-CG2 3.78Å; I33-F124 HydrophobicContact CD1-CD2 3.7Å; I33-F124 HydrophobicContact CD1-CE2 4.41Å; I33-F124 HydrophobicContact CG1-CD2 4.35Å; I33-F124 HydrophobicContact CG2-CD2 4.17Å; I33-F124 HydrophobicContact CG2-CE2 3.77Å; I33-A160 HydrophobicContact CD1-CB 4.34Å; I33-A160 HydrophobicContact CG1-CB 3.67Å; I33-L166 HydrophobicContact CG1-CD2 4.09Å; I33-L166 HydrophobicContact CG2-CD2 4.34Å
34	L	84.2	Confident	76.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-55.9	-53.9	179.1	176.7	51.4	0	0	0	111.8	I22 K30 T31 T32 R36 L37 Q38 E54 V56 V65 D67	I22-L34 HydrophobicContact CD1-CB 4.41Å; K30-L34 PolarHBondContact O-N 2.97Å; T31-L34 WeakPolarHBondContact O-CB 3.22Å; T31-L34 PolarHBondContact O-N 3.07Å; T32-L34 VanDerWaalsContact C-N 3.34Å; L34-R36 VanDerWaalsContact C-N 3.29Å; L34-R36 PolarHBondContact O-N 3.43Å; L34-L37 PolarHBondContact O-N 3.14Å; L34-Q38 WeakPolarHBondContact O-CB 3.48Å; L34-Q38 PolarHBondContact O-N 3.08Å; L34-E54 HydrophobicContact CD1-CB 3.99Å; L34-E54 HydrophobicContact CD2-CB 4.01Å; L34-E54 HydrophobicContact CD2-CG 3.78Å; L34-E54 HydrophobicContact CG-CB 4.26Å; L34-E54 HydrophobicContact CG-CG 4.25Å; L34-V56 HydrophobicContact CD1-CG2 3.46Å; L34-V56 VanDerWaalsContact CD1-CG2 3.46Å; L34-V65 HydrophobicContact CD1-CB 3.6Å; L34-V65 HydrophobicContact CD1-CG1 3.52Å; L34-V65 HydrophobicContact CD1-CG2 4Å; L34-V65 HydrophobicContact CD2-CG1 4.12Å; L34-V65 HydrophobicContact CG-CG1 4.31Å; L34-D67 HydrophobicContact CD2-CB 4Å
35	Y	80.3	Confident	73.7	Confident	62 Å²	62	47 Å²	47	24%	0.243	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-37.2	178.2	-78.5	-67.2	0	0	0	112.7	T31 I33 L37 Q38 V39 V43 T45	T31-Y35 HydrophobicContact CG2-CD2 3.94Å; T31-Y35 HydrophobicContact CG2-CE2 3.65Å; T31-Y35 VanDerWaalsContact O-CD2 3.23Å; T31-Y35 WeakPolarHBondContact O-CD2 3.29Å; T31-Y35 PolarHBondContact O-N 3.4Å; I33-Y35 PolarHBondContact O-N 3.38Å; Y35-L37 VanDerWaalsContact C-N 3.33Å; Y35-L37 PolarHBondContact O-N 3.33Å; Y35-Q38 PolarHBondContact O-N 2.98Å; Y35-V39 PolarHBondContact O-N 3.17Å; Y35-V43 HydrophobicContact CD1-CB 4.46Å; Y35-V43 HydrophobicContact CD1-CG2 4.18Å; Y35-V43 HydrophobicContact CD2-CB 4.46Å; Y35-V43 HydrophobicContact CG-CB 4.19Å; Y35-V43 HydrophobicContact CG-CG2 4.26Å; Y35-T45 HydrophobicContact CD2-CG2 3.62Å; Y35-T45 HydrophobicContact CE2-CG2 3.8Å
36	R	83.8	Confident	71.5	Confident	69 Å²	69	53.6 Å²	53.6	26%	0.26	31%	0.311	S	S	.	.	H	α-helix	trans	-63.9	-39.4	177.7	-166.4	63.3	165.1	-179.6	-7.5	111.8	T32 I33 L34 G40 K162 L166	T32-R36 VanDerWaalsContact O-CB 3.28Å; T32-R36 WeakPolarHBondContact O-CB 3.25Å; T32-R36 PolarHBondContact O-N 3.48Å; I33-R36 PolarHBondContact O-N 2.98Å; L34-R36 VanDerWaalsContact C-N 3.29Å; L34-R36 PolarHBondContact O-N 3.43Å; R36-G40 PolarHBondContact NH1-O 2.89Å; R36-G40 VanDerWaalsContact O-CA 3.29Å; R36-G40 WeakPolarHBondContact O-CA 3.22Å; R36-G40 PolarHBondContact O-N 2.69Å; R36-G40 VanDerWaalsContact O-N 3.09Å; R36-K162 PolarHBondContact NH2-O 3.18Å; R36-L166 HydrophobicContact CB-CD1 3.94Å; R36-L166 HydrophobicContact CG-CD1 3.61Å
37	L	77.4	Confident	69.4	Low	23 Å²	23	55.9 Å²	55.9	12%	0.12	33%	0.328	C	S	.	.	H	α-helix	trans	-72.2	-30.7	175.7	-68.3	175.6	0	0	0	112.8	I33 L34 Y35 V56 L166 M170	I33-L37 HydrophobicContact CG2-CD1 3.89Å; I33-L37 HydrophobicContact CG2-CG 4.35Å; I33-L37 WeakPolarHBondContact O-CG 3.3Å; I33-L37 PolarHBondContact O-N 3.49Å; L34-L37 PolarHBondContact O-N 3.14Å; Y35-L37 VanDerWaalsContact C-N 3.33Å; Y35-L37 PolarHBondContact O-N 3.33Å; L37-V56 HydrophobicContact CB-CG1 4.07Å; L37-L166 HydrophobicContact CD2-CB 4.18Å; L37-M170 HydrophobicContact CD1-CG 4.31Å; L37-M170 HydrophobicContact CD1-SD 4.01Å; L37-M170 HydrophobicContact CD2-CG 3.69Å; L37-M170 HydrophobicContact CD2-SD 4.48Å
38	Q	70.3	Confident	67.7	Low	71 Å²	71	54.9 Å²	54.9	33%	0.332	31%	0.312	S	S	.	.	H	α-helix	trans	-83	-41.9	-176.7	-171.7	173.6	-6.3	0	0	113.6	L34 Y35 E54 V56	L34-Q38 WeakPolarHBondContact O-CB 3.48Å; L34-Q38 PolarHBondContact O-N 3.08Å; Y35-Q38 PolarHBondContact O-N 2.98Å; Q38-E54 PolarHBondContact NE2-OE2 2.84Å; Q38-E54 PolarHBondContact OE1-OE2 3.05Å; Q38-V56 HydrophobicContact CB-CG2 4.09Å; Q38-V56 HydrophobicContact CG-CG2 4.47Å
39	V	61.9	Low	65.7	Low	85 Å²	85	62.4 Å²	62.4	52%	0.515	35%	0.351	S	S	.	.	H	α-helix	trans	-120.8	-11.5	-167.5	-167.7	0	0	0	0	112.1	Y35 E41	Y35-V39 PolarHBondContact O-N 3.17Å; V39-E41 PolarHBondContact O-N 3.03Å
40	G	55.8	Low	64.4	Low	47 Å²	47	63.4 Å²	63.4	49%	0.485	36%	0.361	S	S	.	.	S	Bend	trans	73.5	-3.3	-174.4	0	0	0	0	0	114.1	R36	R36-G40 PolarHBondContact NH1-O 2.89Å; R36-G40 VanDerWaalsContact O-CA 3.29Å; R36-G40 WeakPolarHBondContact O-CA 3.22Å; R36-G40 PolarHBondContact O-N 2.69Å; R36-G40 VanDerWaalsContact O-N 3.09Å
41	E	46.8	Very low	62.9	Low	134 Å²	134	68.1 Å²	68.1	63%	0.626	38%	0.382	S	S	*	.	S	Bend	trans	-115.3	156.4	-179	-66.4	-166.9	166.7	0	0	112.2	V39	V39-E41 PolarHBondContact O-N 3.03Å
42	V	47.3	Very low	61.8	Low	67 Å²	67	69.1 Å²	69.1	41%	0.406	39%	0.386	S	S	.	.			trans	-89.8	108.9	174.8	-179.8	0	0	0	0	108.2	T32 T161	T32-V42 HydrophobicContact CG2-CG1 4.21Å; V42-T161 VanDerWaalsContact CG2-O 3.3Å; V42-T161 WeakPolarHBondContact CG2-O 3.28Å
43	V	44.3	Very low	60.6	Low	63 Å²	63	70.4 Å²	70.4	38%	0.382	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-89.7	134.5	168.9	-173.4	0	0	0	0	108.2	Y35 T45	Y35-V43 HydrophobicContact CD1-CB 4.46Å; Y35-V43 HydrophobicContact CD1-CG2 4.18Å; Y35-V43 HydrophobicContact CD2-CB 4.46Å; Y35-V43 HydrophobicContact CG-CB 4.19Å; Y35-V43 HydrophobicContact CG-CG2 4.26Å; V43-T45 PolarHBondContact O-N 3.1Å
44	T	44.6	Very low	59.6	Low	139 Å²	139	72.6 Å²	72.6	85%	0.853	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-64.9	119.2	171.1	35.1	0	0	0	0	109.3
45	T	43.9	Very low	58.8	Low	51 Å²	51	76.1 Å²	76.1	31%	0.313	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-102.8	142.1	-176.3	56.3	0	0	0	0	111.6	T31 Y35 V43	T31-T45 HydrophobicContact CG2-CG2 3.53Å; Y35-T45 HydrophobicContact CD2-CG2 3.62Å; Y35-T45 HydrophobicContact CE2-CG2 3.8Å; V43-T45 PolarHBondContact O-N 3.1Å
46	I	45.8	Very low	58.2	Low	150 Å²	150	73.2 Å²	73.2	77%	0.769	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-92.1	141.7	165.9	-61.3	174.5	0	0	0	106.8	T48	I46-T48 PolarHBondContact O-N 2.98Å
47	P	44	Very low	57.5	Low	97 Å²	97	74.1 Å²	74.1	63%	0.63	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-52.2	123.5	177.2	-26.8	34.5	0	0	0	112.2	I49	P47-I49 PolarHBondContact O-N 3.03Å
48	T	52.9	Low	57	Low	29 Å²	29	74.1 Å²	74.1	18%	0.178	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-63.9	123.1	179.5	-47.5	0	0	0	0	110.9	I46 N52 D67	I46-T48 PolarHBondContact O-N 2.98Å; T48-N52 HydrophobicContact CG2-CB 4.3Å; T48-D67 PolarHBondContact OG1-OD2 3.29Å
49	I	52.7	Low	57	Low	159 Å²	159	76.8 Å²	76.8	82%	0.815	44%	0.437	S	S	*	.	S	Bend	trans	-91.7	108.7	167.1	-58.9	175.9	0	0	0	106.9	P47	P47-I49 PolarHBondContact O-N 3.03Å
50	G	63.1	Low	56.9	Low	35 Å²	35	77 Å²	77	36%	0.361	44%	0.435	S	S	.	.	S	Bend	trans	98.2	-123.3	-176.7	0	0	0	0	0	113.1	G69	G50-G69 PolarHBondContact O-N 3.05Å
51	F	59	Low	57.2	Low	108 Å²	108	74.9 Å²	74.9	47%	0.474	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	146.7	-177.7	73.9	-82.9	0	0	0	111.6	V53 W66 D67 L68 Y81	F51-V53 HydrophobicContact CD2-CG2 3.6Å; F51-V53 HydrophobicContact CE2-CG2 3.67Å; F51-W66 HydrophobicContact CD2-CE3 4.08Å; F51-W66 AromaticContact CD2-CZ3 3.94Å; F51-W66 HydrophobicContact CD2-CZ3 3.94Å; F51-W66 HydrophobicContact CE2-CE3 4.49Å; F51-W66 AromaticContact CE2-CZ3 3.91Å; F51-W66 HydrophobicContact CE2-CZ3 3.91Å; F51-D67 WeakPolarHBondContact CA-O 3.33Å; F51-L68 HydrophobicContact CB-CD2 3.44Å; F51-L68 VanDerWaalsContact CB-CD2 3.44Å; F51-Y81 AromaticContact CD1-CZ 3.97Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.15Å; F51-Y81 HydrophobicContact CD2-CE1 4.26Å; F51-Y81 VanDerWaalsContact CE1-OH 3.32Å; F51-Y81 WeakPolarHBondContact CE1-OH 3.45Å; F51-Y81 HydrophobicContact CE2-CE1 4.49Å; F51-Y81 HydrophobicContact CG-CE1 4.32Å; F51-Y81 AromaticContact CG-CZ 3.93Å; F51-Y81 WeakPolarHBondContact CG-OH 3.24Å
52	N	63.1	Low	58	Low	42 Å²	42	73.7 Å²	73.7	23%	0.225	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.3	167.5	-167.7	44.6	0	0	0	109.4	T48 E54 W66 D67	T48-N52 HydrophobicContact CG2-CB 4.3Å; N52-E54 VanDerWaalsContact ND2-CG 3.28Å; N52-E54 WeakPolarHBondContact ND2-CG 3.32Å; N52-E54 PolarHBondContact ND2-OE1 3Å; N52-W66 WeakPolarHBondContact O-CA 3.43Å; N52-D67 HydrophobicContact CB-CB 4.4Å; N52-D67 PolarHBondContact N-O 3.27Å; N52-D67 PolarHBondContact O-N 3.35Å
53	V	63.4	Low	59	Low	48 Å²	48	70.6 Å²	70.6	29%	0.291	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.7	175	-169.1	0	0	0	0	108.7	F51 V65 W66	F51-V53 HydrophobicContact CD2-CG2 3.6Å; F51-V53 HydrophobicContact CE2-CG2 3.67Å; V53-V65 WeakPolarHBondContact CA-O 3.34Å; V53-W66 HydrophobicContact CG1-CD2 4.17Å; V53-W66 HydrophobicContact CG1-CH2 4.4Å; V53-W66 HydrophobicContact CG1-CZ2 4.03Å; V53-W66 HydrophobicContact CG2-CD2 3.72Å; V53-W66 HydrophobicContact CG2-CE3 3.29Å; V53-W66 HydrophobicContact CG2-CH2 3.69Å; V53-W66 HydrophobicContact CG2-CZ2 4.09Å; V53-W66 HydrophobicContact CG2-CZ3 3.24Å
54	E	67.1	Low	60	Low	45 Å²	45	70.5 Å²	70.5	21%	0.21	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.7	177	-65.6	-70.1	167.1	0	0	109.7	L34 Q38 N52 V65	L34-E54 HydrophobicContact CD1-CB 3.99Å; L34-E54 HydrophobicContact CD2-CB 4.01Å; L34-E54 HydrophobicContact CD2-CG 3.78Å; L34-E54 HydrophobicContact CG-CB 4.26Å; L34-E54 HydrophobicContact CG-CG 4.25Å; Q38-E54 PolarHBondContact NE2-OE2 2.84Å; Q38-E54 PolarHBondContact OE1-OE2 3.05Å; N52-E54 VanDerWaalsContact ND2-CG 3.28Å; N52-E54 WeakPolarHBondContact ND2-CG 3.32Å; N52-E54 PolarHBondContact ND2-OE1 3Å; E54-V65 PolarHBondContact N-O 3.14Å; E54-V65 PolarHBondContact O-N 3.32Å
55	T	67.1	Low	61	Low	74 Å²	74	64 Å²	64	45%	0.454	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	108.8	171	-60.8	0	0	0	0	108.6	F63	T55-F63 CarbonylContact C-O 3.59Å; T55-F63 WeakPolarHBondContact CA-O 3.16Å
56	V	68.3	Low	62	Low	2 Å²	2	63.4 Å²	63.4	1%	0.012	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.3	175.6	-178.3	0	0	0	0	108.9	L34 L37 Q38 F63 V65	L34-V56 HydrophobicContact CD1-CG2 3.46Å; L34-V56 VanDerWaalsContact CD1-CG2 3.46Å; L37-V56 HydrophobicContact CB-CG1 4.07Å; Q38-V56 HydrophobicContact CB-CG2 4.09Å; Q38-V56 HydrophobicContact CG-CG2 4.47Å; V56-F63 PolarHBondContact N-O 2.75Å; V56-F63 PolarHBondContact O-N 3.44Å; V56-V65 HydrophobicContact CB-CG2 4.26Å; V56-V65 HydrophobicContact CG2-CB 4.43Å; V56-V65 HydrophobicContact CG2-CG2 3.82Å
57	T	67.8	Low	62.8	Low	87 Å²	87	56.3 Å²	56.3	53%	0.534	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	111.9	169.4	-56.2	0	0	0	0	108.3	L61	T57-L61 CarbonylContact C-O 3.55Å; T57-L61 WeakPolarHBondContact CA-O 3.4Å
58	Y	68	Low	64.1	Low	24 Å²	24	51.9 Å²	51.9	9%	0.094	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.7	173.4	-177.9	-89.1	0	0	0	109.1	N60 L61 D167 M170 V174	Y58-N60 PolarHBondContact O-N 2.91Å; Y58-L61 PolarHBondContact N-O 3.21Å; Y58-L61 WeakPolarHBondContact O-CB 3.43Å; Y58-L61 PolarHBondContact O-N 3.36Å; Y58-D167 WeakPolarHBondContact CE2-OD1 3.48Å; Y58-D167 PolarHBondContact OH-OD1 3.46Å; Y58-M170 HydrophobicContact CD1-CB 4.07Å; Y58-M170 HydrophobicContact CE1-CB 3.7Å; Y58-M170 HydrophobicContact CE2-CB 4.21Å; Y58-M170 HydrophobicContact CG-CB 4.48Å; Y58-V174 HydrophobicContact CD1-CG2 4.42Å
59	K	69.1	Low	64.9	Low	126 Å²	126	50.8 Å²	50.8	55%	0.548	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	-121.9	-167	-58.9	-179.3	180	-178.7	0	110.7	E171	K59-E171 IonicContact NZ-OE1 3.38Å; K59-E171 PolarHBondContact NZ-OE1 2.85Å
60	N	61.4	Low	65.7	Low	91 Å²	91	43.2 Å²	43.2	49%	0.487	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	9.7	179.2	64.5	-43.7	0	0	0	113.4	Y58	Y58-N60 PolarHBondContact O-N 2.91Å
61	L	62	Low	66.3	Low	2 Å²	2	45 Å²	45	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.4	-172.1	-61.7	-178.4	0	0	0	111.7	F13 T57 Y58 F63 V174	F13-L61 HydrophobicContact CD1-CD2 3.24Å; F13-L61 HydrophobicContact CD2-CD2 3.67Å; F13-L61 HydrophobicContact CE1-CD2 3.08Å; F13-L61 HydrophobicContact CE1-CG 4.46Å; F13-L61 HydrophobicContact CE2-CD1 4.23Å; F13-L61 HydrophobicContact CE2-CD2 3.51Å; F13-L61 HydrophobicContact CG-CD2 3.52Å; F13-L61 HydrophobicContact CZ-CD1 4.12Å; F13-L61 HydrophobicContact CZ-CD2 3.2Å; F13-L61 HydrophobicContact CZ-CG 4.31Å; T57-L61 CarbonylContact C-O 3.55Å; T57-L61 WeakPolarHBondContact CA-O 3.4Å; Y58-L61 PolarHBondContact N-O 3.21Å; Y58-L61 WeakPolarHBondContact O-CB 3.43Å; Y58-L61 PolarHBondContact O-N 3.36Å; L61-F63 HydrophobicContact CB-CD2 4.28Å; L61-F63 HydrophobicContact CB-CE1 4.14Å; L61-F63 HydrophobicContact CB-CE2 3.39Å; L61-F63 HydrophobicContact CB-CZ 3.37Å; L61-F63 HydrophobicContact CD1-CE1 4.39Å; L61-F63 HydrophobicContact CD1-CE2 4.42Å; L61-F63 HydrophobicContact CD1-CZ 3.68Å; L61-F63 HydrophobicContact CG-CZ 4.16Å; L61-V174 HydrophobicContact CD1-CB 3.94Å; L61-V174 HydrophobicContact CD1-CG1 3.5Å; L61-V174 VanDerWaalsContact CD1-CG1 3.5Å; L61-V174 HydrophobicContact CD1-CG2 3.4Å; L61-V174 VanDerWaalsContact CD1-CG2 3.4Å
62	K	63.7	Low	67.3	Low	108 Å²	108	44.9 Å²	44.9	47%	0.47	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	121.9	171.1	-69.6	-178.1	175.4	-176.3	0	108.6	E17 M18	E17-K62 HydrophobicContact CG-CB 4.4Å; M18-K62 PolarHBondContact N-O 3.25Å
63	F	67.4	Low	68.1	Low	2 Å²	2	47 Å²	47	1%	0.009	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.8	176	-57	-72.7	0	0	0	108.3	M18 I20 T55 V56 L61 V65 M170 V174 L177	M18-F63 HydrophobicContact CB-CD1 4.06Å; M18-F63 HydrophobicContact CB-CE1 4.21Å; M18-F63 WeakPolarHBondContact O-CA 3.44Å; I20-F63 HydrophobicContact CD1-CB 4.08Å; I20-F63 HydrophobicContact CD1-CD1 3.05Å; I20-F63 HydrophobicContact CD1-CE1 3.46Å; I20-F63 VanDerWaalsContact CD1-CE1 3.46Å; I20-F63 HydrophobicContact CD1-CG 3.67Å; I20-F63 HydrophobicContact CD1-CZ 4.4Å; I20-F63 HydrophobicContact CG1-CB 4.43Å; I20-F63 HydrophobicContact CG1-CD1 3.65Å; I20-F63 HydrophobicContact CG1-CE1 4.31Å; I20-F63 HydrophobicContact CG1-CG 4.38Å; T55-F63 CarbonylContact C-O 3.59Å; T55-F63 WeakPolarHBondContact CA-O 3.16Å; V56-F63 PolarHBondContact N-O 2.75Å; V56-F63 PolarHBondContact O-N 3.44Å; L61-F63 HydrophobicContact CB-CD2 4.28Å; L61-F63 HydrophobicContact CB-CE1 4.14Å; L61-F63 HydrophobicContact CB-CE2 3.39Å; L61-F63 HydrophobicContact CB-CZ 3.37Å; L61-F63 HydrophobicContact CD1-CE1 4.39Å; L61-F63 HydrophobicContact CD1-CE2 4.42Å; L61-F63 HydrophobicContact CD1-CZ 3.68Å; L61-F63 HydrophobicContact CG-CZ 4.16Å; F63-V65 HydrophobicContact CB-CG2 4.11Å; F63-V65 PolarHBondContact O-N 3Å; F63-M170 HydrophobicContact CD2-CE 4.32Å; F63-M170 HydrophobicContact CE2-CE 4.08Å; F63-M170 HydrophobicContact CZ-CE 4.29Å; F63-V174 HydrophobicContact CZ-CG2 4.02Å; F63-L177 HydrophobicContact CE1-CD1 4.16Å
64	Q	65.3	Low	68.8	Low	61 Å²	61	46.3 Å²	46.3	29%	0.285	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	113.9	160.7	-68.9	-174.7	26.1	0	0	107.3	E17 M18 I20	E17-Q64 PolarHBondContact OE2-NE2 3.08Å; M18-Q64 PolarHBondContact O-N 3.33Å; I20-Q64 CarbonylContact C-O 3.51Å; I20-Q64 PolarHBondContact N-O 3.13Å
65	V	65.3	Low	69.5	Low	4 Å²	4	44.9 Å²	44.9	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121	-179.1	179.3	0	0	0	0	109.6	I20 I22 L34 V53 E54 V56 F63	I20-V65 WeakPolarHBondContact O-CA 3.05Å; I22-V65 HydrophobicContact CB-CG1 4.19Å; I22-V65 HydrophobicContact CD1-CG1 3.32Å; I22-V65 HydrophobicContact CG1-CG1 3.47Å; I22-V65 VanDerWaalsContact CG1-CG1 3.47Å; L34-V65 HydrophobicContact CD1-CB 3.6Å; L34-V65 HydrophobicContact CD1-CG1 3.52Å; L34-V65 HydrophobicContact CD1-CG2 4Å; L34-V65 HydrophobicContact CD2-CG1 4.12Å; L34-V65 HydrophobicContact CG-CG1 4.31Å; V53-V65 WeakPolarHBondContact CA-O 3.34Å; E54-V65 PolarHBondContact N-O 3.14Å; E54-V65 PolarHBondContact O-N 3.32Å; V56-V65 HydrophobicContact CB-CG2 4.26Å; V56-V65 HydrophobicContact CG2-CB 4.43Å; V56-V65 HydrophobicContact CG2-CG2 3.82Å; F63-V65 HydrophobicContact CB-CG2 4.11Å; F63-V65 PolarHBondContact O-N 3Å
66	W	64.6	Low	70.3	Confident	37 Å²	37	44.8 Å²	44.8	14%	0.14	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	108.1	175.9	-58.8	69.5	0	0	0	108.5	R19 I20 L21 I22 F51 N52 V53 L68 Y81	R19-W66 VanDerWaalsContact NH2-CZ2 3.27Å; I20-W66 PolarHBondContact O-N 3.37Å; L21-W66 HydrophobicContact CD2-CB 3.48Å; L21-W66 VanDerWaalsContact CD2-CB 3.48Å; L21-W66 HydrophobicContact CD2-CD2 4.45Å; L21-W66 HydrophobicContact CD2-CG 3.52Å; I22-W66 PolarHBondContact N-O 3Å; I22-W66 VanDerWaalsContact O-O 3.06Å; F51-W66 HydrophobicContact CD2-CE3 4.08Å; F51-W66 AromaticContact CD2-CZ3 3.94Å; F51-W66 HydrophobicContact CD2-CZ3 3.94Å; F51-W66 HydrophobicContact CE2-CE3 4.49Å; F51-W66 AromaticContact CE2-CZ3 3.91Å; F51-W66 HydrophobicContact CE2-CZ3 3.91Å; N52-W66 WeakPolarHBondContact O-CA 3.43Å; V53-W66 HydrophobicContact CG1-CD2 4.17Å; V53-W66 HydrophobicContact CG1-CH2 4.4Å; V53-W66 HydrophobicContact CG1-CZ2 4.03Å; V53-W66 HydrophobicContact CG2-CD2 3.72Å; V53-W66 HydrophobicContact CG2-CE3 3.29Å; V53-W66 HydrophobicContact CG2-CH2 3.69Å; V53-W66 HydrophobicContact CG2-CZ2 4.09Å; V53-W66 HydrophobicContact CG2-CZ3 3.24Å; W66-L68 HydrophobicContact CB-CD2 4.45Å; W66-Y81 HydrophobicContact CD2-CD1 4.11Å; W66-Y81 AromaticContact CE3-CD1 3.23Å; W66-Y81 HydrophobicContact CE3-CD1 3.23Å; W66-Y81 AromaticContact CE3-CE1 3.56Å; W66-Y81 HydrophobicContact CE3-CE1 3.56Å; W66-Y81 HydrophobicContact CE3-CG 4.09Å; W66-Y81 HydrophobicContact CH2-CD1 4.19Å; W66-Y81 HydrophobicContact CH2-CE1 4.35Å; W66-Y81 AromaticContact CZ3-CD1 3.3Å; W66-Y81 HydrophobicContact CZ3-CD1 3.3Å; W66-Y81 AromaticContact CZ3-CE1 3.31Å; W66-Y81 HydrophobicContact CZ3-CE1 3.31Å
67	D	64	Low	71	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	107.9	171.9	178	30.8	0	0	0	108.5	K30 T31 L34 T48 F51 N52	K30-D67 WeakPolarHBondContact CB-OD1 3.34Å; K30-D67 VanDerWaalsContact CE-OD1 3.24Å; K30-D67 WeakPolarHBondContact CE-OD1 3.31Å; T31-D67 WeakPolarHBondContact CA-OD2 3.13Å; T31-D67 VanDerWaalsContact CB-OD2 3.27Å; T31-D67 WeakPolarHBondContact CB-OD2 3.38Å; T31-D67 WeakPolarHBondContact CG2-OD2 3.47Å; T31-D67 PolarHBondContact OG1-OD2 3.42Å; L34-D67 HydrophobicContact CD2-CB 4Å; T48-D67 PolarHBondContact OG1-OD2 3.29Å; F51-D67 WeakPolarHBondContact CA-O 3.33Å; N52-D67 HydrophobicContact CB-CB 4.4Å; N52-D67 PolarHBondContact N-O 3.27Å; N52-D67 PolarHBondContact O-N 3.35Å
68	L	70.3	Confident	72	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.5	179.3	-53.7	-169.6	0	0	0	109.5	L23 K30 F51 W66 G70 W78 Y81	L23-L68 HydrophobicContact CD2-CB 3.79Å; L23-L68 HydrophobicContact CD2-CD1 3.48Å; L23-L68 VanDerWaalsContact CD2-CD1 3.48Å; L23-L68 HydrophobicContact CD2-CG 3.65Å; K30-L68 WeakPolarHBondContact CE-O 3.35Å; K30-L68 PolarHBondContact NZ-O 3.47Å; F51-L68 HydrophobicContact CB-CD2 3.44Å; F51-L68 VanDerWaalsContact CB-CD2 3.44Å; W66-L68 HydrophobicContact CB-CD2 4.45Å; L68-G70 PolarHBondContact O-N 3.1Å; L68-W78 HydrophobicContact CD1-CB 3.93Å; L68-W78 HydrophobicContact CD1-CG 3.8Å; L68-Y81 HydrophobicContact CD1-CD2 3.61Å; L68-Y81 HydrophobicContact CD1-CE2 4.29Å; L68-Y81 HydrophobicContact CD1-CG 4.26Å; L68-Y81 HydrophobicContact CD2-CD2 3.84Å; L68-Y81 HydrophobicContact CD2-CE2 3.95Å; L68-Y81 HydrophobicContact CD2-CG 4.29Å; L68-Y81 HydrophobicContact CG-CD2 4.44Å
69	G	69.3	Low	72.8	Confident	6 Å²	6	54 Å²	54	6%	0.062	26%	0.264	C	S	.	.			trans	-57.9	138.1	173.7	0	0	0	0	0	110.3	G50 I74 W78	G50-G69 PolarHBondContact O-N 3.05Å; G69-I74 WeakPolarHBondContact O-CD1 3.44Å; G69-I74 WeakPolarHBondContact O-CG1 3.22Å; G69-W78 PolarHBondContact O-NE1 2.82Å; G69-W78 VanDerWaalsContact O-NE1 3.14Å
70	G	69.5	Low	73.6	Confident	1 Å²	1	52 Å²	52	1%	0.01	26%	0.264	C	S	.	.			trans	-98.9	11.1	-174.4	0	0	0	0	0	114	G24 D26 L68 R75	G24-G70 WeakPolarHBondContact O-CA 3.25Å; D26-G70 PolarHBondContact N-O 2.76Å; D26-G70 VanDerWaalsContact OD1-O 3.05Å; L68-G70 PolarHBondContact O-N 3.1Å; G70-R75 PolarHBondContact O-NE 2.91Å; G70-R75 PolarHBondContact O-NH2 2.74Å
71	Q	76.4	Confident	74.7	Confident	72 Å²	72	49.6 Å²	49.6	34%	0.336	25%	0.249	S	C	.	.	S	Bend	trans	-71	144.5	179.5	-55.5	175.6	25.5	0	0	109.7	D26 S73 I74 R75	D26-Q71 HydrophobicContact CB-CG 4.05Å; Q71-S73 PolarHBondContact O-N 2.94Å; Q71-I74 HydrophobicContact CB-CD1 4.12Å; Q71-I74 HydrophobicContact CB-CG1 3.98Å; Q71-I74 HydrophobicContact CG-CD1 4.39Å; Q71-I74 WeakPolarHBondContact O-CG1 3.33Å; Q71-I74 PolarHBondContact O-N 3.37Å; Q71-R75 WeakPolarHBondContact O-CG 3.3Å; Q71-R75 PolarHBondContact O-N 3.31Å
72	T	79.8	Confident	76.1	Confident	106 Å²	106	50 Å²	50	65%	0.65	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-40.2	-174.4	-51.4	0	0	0	0	113.8	I74	T72-I74 VanDerWaalsContact C-N 3.27Å; T72-I74 PolarHBondContact O-N 3.32Å
73	S	80.4	Confident	77.3	Confident	86 Å²	86	47.4 Å²	47.4	60%	0.601	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-18.9	-177.4	53.9	0	0	0	0	114.9	Q71	Q71-S73 PolarHBondContact O-N 2.94Å
74	I	78.6	Confident	78.2	Confident	33 Å²	33	53.5 Å²	53.5	17%	0.169	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-10.8	-172.4	58.6	175.8	0	0	0	114.2	G69 Q71 T72 P76 Y77	G69-I74 WeakPolarHBondContact O-CD1 3.44Å; G69-I74 WeakPolarHBondContact O-CG1 3.22Å; Q71-I74 HydrophobicContact CB-CD1 4.12Å; Q71-I74 HydrophobicContact CB-CG1 3.98Å; Q71-I74 HydrophobicContact CG-CD1 4.39Å; Q71-I74 WeakPolarHBondContact O-CG1 3.33Å; Q71-I74 PolarHBondContact O-N 3.37Å; T72-I74 VanDerWaalsContact C-N 3.27Å; T72-I74 PolarHBondContact O-N 3.32Å; I74-P76 VanDerWaalsContact C-N 3.32Å; I74-Y77 HydrophobicContact CB-CD2 4.39Å; I74-Y77 WeakPolarHBondContact O-CB 3.36Å; I74-Y77 WeakPolarHBondContact O-CD2 3.39Å; I74-Y77 PolarHBondContact O-N 3.14Å; I74-Y77 VanDerWaalsContact O-N 3.08Å
75	R	81.4	Confident	79.5	Confident	15 Å²	15	51 Å²	51	6%	0.057	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-56.1	-36.2	175.1	-58.9	179.2	-163.8	151.4	6	114.1	D26 G70 Q71 Y77 W78 I102 E106	D26-R75 IonicContact OD1-NH2 3.96Å; G70-R75 PolarHBondContact O-NE 2.91Å; G70-R75 PolarHBondContact O-NH2 2.74Å; Q71-R75 WeakPolarHBondContact O-CG 3.3Å; Q71-R75 PolarHBondContact O-N 3.31Å; R75-Y77 PolarHBondContact O-N 3.06Å; R75-W78 HydrophobicContact CB-CD2 4.32Å; R75-W78 HydrophobicContact CB-CZ2 4.35Å; R75-W78 HydrophobicContact CG-CH2 4.19Å; R75-W78 HydrophobicContact CG-CZ2 3.78Å; R75-W78 VanDerWaalsContact O-CB 3.3Å; R75-W78 WeakPolarHBondContact O-CB 3.23Å; R75-W78 PolarHBondContact O-N 2.95Å; R75-I102 VanDerWaalsContact NH1-CG2 3.29Å; R75-E106 WeakPolarHBondContact CD-OE1 3.28Å; R75-E106 IonicContact CZ-OE1 3.78Å; R75-E106 IonicContact NE-OE1 2.71Å; R75-E106 IonicContact NH1-OE1 3.1Å; R75-E106 PolarHBondContact NH1-OE1 3.05Å
76	P	84.6	Confident	80.8	Confident	73 Å²	73	51.4 Å²	51.4	47%	0.474	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-60.5	-14.8	176.3	-26.4	36.4	0	0	0	115.1	I74 R79	I74-P76 VanDerWaalsContact C-N 3.32Å; P76-R79 WeakPolarHBondContact O-CD 3.36Å; P76-R79 WeakPolarHBondContact O-CG 3.27Å; P76-R79 PolarHBondContact O-NE 3.48Å
77	Y	82.4	Confident	82.2	Confident	146 Å²	146	49.7 Å²	49.7	57%	0.573	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-88.2	-6.8	176.4	-59.6	-79.5	0	0	0	113.1	I74 R75 R79 C80 Y81	I74-Y77 HydrophobicContact CB-CD2 4.39Å; I74-Y77 WeakPolarHBondContact O-CB 3.36Å; I74-Y77 WeakPolarHBondContact O-CD2 3.39Å; I74-Y77 PolarHBondContact O-N 3.14Å; I74-Y77 VanDerWaalsContact O-N 3.08Å; R75-Y77 PolarHBondContact O-N 3.06Å; Y77-R79 PolarHBondContact O-N 3.49Å; Y77-C80 VanDerWaalsContact O-CB 3.31Å; Y77-C80 WeakPolarHBondContact O-CB 3.33Å; Y77-C80 PolarHBondContact O-N 3.32Å; Y77-C80 VanDerWaalsContact O-N 3.08Å; Y77-Y81 WeakPolarHBondContact O-CD2 3.44Å; Y77-Y81 WeakPolarHBondContact O-CE2 2.93Å
78	W	88	Confident	83.7	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.015	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-56.2	-38.9	176.8	-67.6	-1.9	0	0	0	112.2	L23 L68 G69 R75 C80 Y81 Y82 E106	L23-W78 HydrophobicContact CD2-CD2 4.05Å; L23-W78 HydrophobicContact CD2-CG 4.1Å; L68-W78 HydrophobicContact CD1-CB 3.93Å; L68-W78 HydrophobicContact CD1-CG 3.8Å; G69-W78 PolarHBondContact O-NE1 2.82Å; G69-W78 VanDerWaalsContact O-NE1 3.14Å; R75-W78 HydrophobicContact CB-CD2 4.32Å; R75-W78 HydrophobicContact CB-CZ2 4.35Å; R75-W78 HydrophobicContact CG-CH2 4.19Å; R75-W78 HydrophobicContact CG-CZ2 3.78Å; R75-W78 VanDerWaalsContact O-CB 3.3Å; R75-W78 WeakPolarHBondContact O-CB 3.23Å; R75-W78 PolarHBondContact O-N 2.95Å; W78-C80 PolarHBondContact O-N 3.18Å; W78-C80 VanDerWaalsContact O-N 3.1Å; W78-Y81 PolarHBondContact O-N 2.93Å; W78-Y82 VanDerWaalsContact C-CE1 3.46Å; W78-Y82 HydrophobicContact CB-CE1 3.79Å; W78-Y82 VanDerWaalsContact CB-OH 3.22Å; W78-Y82 WeakPolarHBondContact CB-OH 3.46Å; W78-Y82 VanDerWaalsContact O-CD1 3.3Å; W78-Y82 WeakPolarHBondContact O-CD1 3.39Å; W78-Y82 VanDerWaalsContact O-CE1 3.25Å; W78-Y82 WeakPolarHBondContact O-CE1 3.45Å; W78-E106 HydrophobicContact CH2-CB 4.41Å; W78-E106 HydrophobicContact CZ3-CB 4.13Å
79	R	86	Confident	84.9	Confident	157 Å²	157	49.6 Å²	49.6	59%	0.592	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-55.7	-26.3	177	68	-170.1	168.4	165.3	2.1	115.1	P76 Y77 Y81 Y82	P76-R79 WeakPolarHBondContact O-CD 3.36Å; P76-R79 WeakPolarHBondContact O-CG 3.27Å; P76-R79 PolarHBondContact O-NE 3.48Å; Y77-R79 PolarHBondContact O-N 3.49Å; R79-Y81 PolarHBondContact O-N 3.12Å; R79-Y81 VanDerWaalsContact O-N 3.09Å; R79-Y82 VanDerWaalsContact CA-CD2 3.49Å; R79-Y82 HydrophobicContact CB-CD2 4.02Å; R79-Y82 HydrophobicContact CB-CE2 3.77Å; R79-Y82 PolarHBondContact O-N 3.33Å
80	C	85	Confident	86.2	Confident	82 Å²	82	49.3 Å²	49.3	55%	0.554	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-65.6	-12.6	176.7	-59.9	0	0	0	0	113	Y77 W78	Y77-C80 VanDerWaalsContact O-CB 3.31Å; Y77-C80 WeakPolarHBondContact O-CB 3.33Å; Y77-C80 PolarHBondContact O-N 3.32Å; Y77-C80 VanDerWaalsContact O-N 3.08Å; W78-C80 PolarHBondContact O-N 3.18Å; W78-C80 VanDerWaalsContact O-N 3.1Å
81	Y	85.3	Confident	87.6	Confident	41 Å²	41	49.3 Å²	49.3	16%	0.161	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-117.4	-3	-173.3	-56	-78.4	0	0	0	114.1	R19 F51 W66 L68 Y77 W78 R79 S83 T85	R19-Y81 PolarHBondContact NH2-O 2.92Å; F51-Y81 AromaticContact CD1-CZ 3.97Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.15Å; F51-Y81 HydrophobicContact CD2-CE1 4.26Å; F51-Y81 VanDerWaalsContact CE1-OH 3.32Å; F51-Y81 WeakPolarHBondContact CE1-OH 3.45Å; F51-Y81 HydrophobicContact CE2-CE1 4.49Å; F51-Y81 HydrophobicContact CG-CE1 4.32Å; F51-Y81 AromaticContact CG-CZ 3.93Å; F51-Y81 WeakPolarHBondContact CG-OH 3.24Å; W66-Y81 HydrophobicContact CD2-CD1 4.11Å; W66-Y81 AromaticContact CE3-CD1 3.23Å; W66-Y81 HydrophobicContact CE3-CD1 3.23Å; W66-Y81 AromaticContact CE3-CE1 3.56Å; W66-Y81 HydrophobicContact CE3-CE1 3.56Å; W66-Y81 HydrophobicContact CE3-CG 4.09Å; W66-Y81 HydrophobicContact CH2-CD1 4.19Å; W66-Y81 HydrophobicContact CH2-CE1 4.35Å; W66-Y81 AromaticContact CZ3-CD1 3.3Å; W66-Y81 HydrophobicContact CZ3-CD1 3.3Å; W66-Y81 AromaticContact CZ3-CE1 3.31Å; W66-Y81 HydrophobicContact CZ3-CE1 3.31Å; L68-Y81 HydrophobicContact CD1-CD2 3.61Å; L68-Y81 HydrophobicContact CD1-CE2 4.29Å; L68-Y81 HydrophobicContact CD1-CG 4.26Å; L68-Y81 HydrophobicContact CD2-CD2 3.84Å; L68-Y81 HydrophobicContact CD2-CE2 3.95Å; L68-Y81 HydrophobicContact CD2-CG 4.29Å; L68-Y81 HydrophobicContact CG-CD2 4.44Å; Y77-Y81 WeakPolarHBondContact O-CD2 3.44Å; Y77-Y81 WeakPolarHBondContact O-CE2 2.93Å; W78-Y81 PolarHBondContact O-N 2.93Å; R79-Y81 PolarHBondContact O-N 3.12Å; R79-Y81 VanDerWaalsContact O-N 3.09Å; Y81-S83 PolarHBondContact O-N 3Å; Y81-T85 PolarHBondContact O-OG1 2.84Å
82	Y	90.6	Very high	88.6	Confident	10 Å²	10	46 Å²	46	4%	0.039	24%	0.244	C	C	.	.			trans	-68	-32.2	-174.4	-65.8	-15	0	0	0	114.2	L21 L23 W78 R79 N84 T85 M110 E113 L116	L21-Y82 HydrophobicContact CD1-CD1 3.8Å; L21-Y82 HydrophobicContact CD1-CE1 4.46Å; L23-Y82 HydrophobicContact CD1-CE1 3.98Å; W78-Y82 VanDerWaalsContact C-CE1 3.46Å; W78-Y82 HydrophobicContact CB-CE1 3.79Å; W78-Y82 VanDerWaalsContact CB-OH 3.22Å; W78-Y82 WeakPolarHBondContact CB-OH 3.46Å; W78-Y82 VanDerWaalsContact O-CD1 3.3Å; W78-Y82 WeakPolarHBondContact O-CD1 3.39Å; W78-Y82 VanDerWaalsContact O-CE1 3.25Å; W78-Y82 WeakPolarHBondContact O-CE1 3.45Å; R79-Y82 VanDerWaalsContact CA-CD2 3.49Å; R79-Y82 HydrophobicContact CB-CD2 4.02Å; R79-Y82 HydrophobicContact CB-CE2 3.77Å; R79-Y82 PolarHBondContact O-N 3.33Å; Y82-N84 PolarHBondContact O-N 3.38Å; Y82-T85 VanDerWaalsContact O-CB 3.22Å; Y82-T85 WeakPolarHBondContact O-CB 3.48Å; Y82-T85 PolarHBondContact O-N 3.3Å; Y82-T85 PolarHBondContact O-OG1 3.02Å; Y82-M110 HydrophobicContact CE1-CG 4.13Å; Y82-E113 HydrophobicContact CD2-CB 3.86Å; Y82-E113 HydrophobicContact CD2-CG 3.99Å; Y82-E113 HydrophobicContact CE2-CB 4.04Å; Y82-E113 HydrophobicContact CE2-CG 3.66Å; Y82-L116 HydrophobicContact CD1-CD1 3.64Å; Y82-L116 HydrophobicContact CD1-CD2 4.16Å; Y82-L116 HydrophobicContact CD1-CG 4.06Å; Y82-L116 HydrophobicContact CD2-CD1 3.98Å; Y82-L116 HydrophobicContact CD2-CG 4.13Å; Y82-L116 HydrophobicContact CE1-CD1 3.81Å; Y82-L116 HydrophobicContact CE2-CD1 4.2Å; Y82-L116 HydrophobicContact CG-CD1 3.73Å; Y82-L116 HydrophobicContact CG-CD2 4.09Å; Y82-L116 HydrophobicContact CG-CG 3.75Å
83	S	88.4	Confident	89.4	Confident	54 Å²	54	41.8 Å²	41.8	38%	0.378	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	140.3	-176.5	-47.4	0	0	0	0	112.2	R19 Y81 T85	R19-S83 PolarHBondContact NH1-O 3.25Å; Y81-S83 PolarHBondContact O-N 3Å; S83-T85 PolarHBondContact O-N 2.79Å
84	N	87.8	Confident	90.3	Very high	131 Å²	131	37.7 Å²	37.7	70%	0.701	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	26.8	179.5	-54	-41.4	0	0	0	114.6	R19 Y82	R19-N84 VanDerWaalsContact CB-O 3.28Å; R19-N84 WeakPolarHBondContact CB-O 3.37Å; R19-N84 WeakPolarHBondContact CD-O 3.36Å; Y82-N84 PolarHBondContact O-N 3.38Å
85	T	91.3	Very high	91.1	Very high	7 Å²	7	37.9 Å²	37.9	4%	0.043	19%	0.193	C	C	.	.			trans	-83.5	124.7	175.8	-62	0	0	0	0	111.4	L21 Y81 Y82 S83 A87 V88 L116 A119	L21-T85 HydrophobicContact CB-CG2 4.4Å; L21-T85 HydrophobicContact CD1-CG2 3.96Å; L21-T85 VanDerWaalsContact CD1-OG1 3.29Å; L21-T85 WeakPolarHBondContact CD1-OG1 3.4Å; L21-T85 HydrophobicContact CG-CG2 3.75Å; L21-T85 WeakPolarHBondContact CG-OG1 3.48Å; Y81-T85 PolarHBondContact O-OG1 2.84Å; Y82-T85 VanDerWaalsContact O-CB 3.22Å; Y82-T85 WeakPolarHBondContact O-CB 3.48Å; Y82-T85 PolarHBondContact O-N 3.3Å; Y82-T85 PolarHBondContact O-OG1 3.02Å; S83-T85 PolarHBondContact O-N 2.79Å; T85-A87 WeakPolarHBondContact CG2-O 3.42Å; T85-V88 HydrophobicContact CG2-CG2 3.99Å; T85-L116 HydrophobicContact CG2-CD2 3.96Å; T85-A119 HydrophobicContact CG2-CB 4.38Å
86	D	92.2	Very high	91.8	Very high	14 Å²	14	38.6 Å²	38.6	8%	0.075	20%	0.198	C	C	.	.	S	Bend	trans	-86.1	-36.4	177.8	-59.3	-64	0	0	0	111.1	R16 M18 R19 A119 I120 L177 R180	R16-D86 IonicContact NH2-OD1 3.18Å; R16-D86 PolarHBondContact NH2-OD1 3.5Å; M18-D86 WeakPolarHBondContact CA-OD2 3.43Å; M18-D86 HydrophobicContact SD-CB 4.1Å; R19-D86 PolarHBondContact N-OD2 2.9Å; R19-D86 PolarHBondContact O-N 2.98Å; D86-A119 WeakPolarHBondContact O-CA 3.38Å; D86-I120 PolarHBondContact O-N 3.33Å; D86-I120 VanDerWaalsContact O-N 3.1Å; D86-L177 HydrophobicContact CB-CD2 3.91Å; D86-R180 PolarHBondContact O-NH1 3.36Å
87	A	94.3	Very high	92.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	155.2	175	0	0	0	0	0	113.3	R19 I20 L21 T85 I120 L173 L177	R19-A87 PolarHBondContact O-N 3.28Å; I20-A87 WeakPolarHBondContact CA-O 3.43Å; I20-A87 HydrophobicContact CG1-CB 4.4Å; L21-A87 PolarHBondContact N-O 3.16Å; T85-A87 WeakPolarHBondContact CG2-O 3.42Å; A87-I120 CarbonylContact C-O 3.58Å; A87-I120 VanDerWaalsContact CA-O 3.23Å; A87-I120 WeakPolarHBondContact CA-O 3.33Å; A87-I120 HydrophobicContact CB-CB 4.11Å; A87-I120 WeakPolarHBondContact CB-O 3.28Å; A87-L173 HydrophobicContact CB-CD1 3.64Å; A87-L173 HydrophobicContact CB-CD2 4.48Å; A87-L177 HydrophobicContact CB-CD2 4.37Å
88	V	95.4	Very high	93	Very high	2 Å²	2	41 Å²	41	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.1	171.6	-180	0	0	0	0	108.6	L21 L23 T85 M110 L116 A119 I120 L121 V122	L21-V88 HydrophobicContact CB-CG2 4.46Å; L21-V88 CarbonylContact O-C 3.6Å; L21-V88 WeakPolarHBondContact O-CA 3.45Å; L23-V88 HydrophobicContact CB-CG1 4.41Å; L23-V88 HydrophobicContact CD1-CG1 4.11Å; L23-V88 HydrophobicContact CG-CG1 4.43Å; T85-V88 HydrophobicContact CG2-CG2 3.99Å; V88-M110 HydrophobicContact CB-CE 4.47Å; V88-M110 HydrophobicContact CG1-CE 3.81Å; V88-M110 HydrophobicContact CG1-SD 3.97Å; V88-L116 HydrophobicContact CG2-CD1 4.3Å; V88-L116 HydrophobicContact CG2-CD2 4.06Å; V88-A119 HydrophobicContact CG2-CB 4.37Å; V88-I120 PolarHBondContact N-O 3.46Å; V88-L121 HydrophobicContact CB-CD1 4.44Å; V88-L121 HydrophobicContact CG1-CD1 4.47Å; V88-V122 PolarHBondContact O-N 2.81Å
89	I	96	Very high	93.3	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	110.5	164.6	-61.5	173	0	0	0	106.9	I20 L21 I22 L23 V91 V122 F124 M170 L173	I20-I89 HydrophobicContact CG2-CD1 3.79Å; I20-I89 HydrophobicContact CG2-CG1 3.87Å; L21-I89 PolarHBondContact O-N 2.98Å; I22-I89 CarbonylContact C-O 3.58Å; I22-I89 WeakPolarHBondContact CA-O 3.4Å; I22-I89 HydrophobicContact CG1-CB 4.08Å; I22-I89 HydrophobicContact CG1-CD1 4.3Å; I22-I89 HydrophobicContact CG1-CG2 4.48Å; L23-I89 PolarHBondContact N-O 2.94Å; I89-V91 HydrophobicContact CG2-CG2 4.07Å; I89-V122 CarbonylContact C-O 3.58Å; I89-V122 VanDerWaalsContact CA-O 3.31Å; I89-V122 WeakPolarHBondContact CA-O 3.33Å; I89-V122 HydrophobicContact CG1-CB 4.23Å; I89-F124 HydrophobicContact CD1-CZ 4.33Å; I89-F124 HydrophobicContact CG2-CD1 4.27Å; I89-F124 HydrophobicContact CG2-CD2 3.64Å; I89-F124 HydrophobicContact CG2-CE1 4.17Å; I89-F124 HydrophobicContact CG2-CE2 3.58Å; I89-F124 HydrophobicContact CG2-CG 4Å; I89-F124 HydrophobicContact CG2-CZ 3.85Å; I89-M170 HydrophobicContact CD1-SD 4.06Å; I89-L173 HydrophobicContact CD1-CD2 4.24Å; I89-L173 HydrophobicContact CG1-CD2 4.3Å
90	Y	97.5	Very high	93.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.2	176.6	-165.9	-99.5	0	0	0	110.1	L23 V92 S103 L107 M110 V122 V123 F124 L143	L23-Y90 HydrophobicContact CB-CD2 4.16Å; L23-Y90 CarbonylContact O-C 3.56Å; L23-Y90 WeakPolarHBondContact O-CA 3.22Å; Y90-V92 HydrophobicContact CD1-CG2 3.79Å; Y90-V92 HydrophobicContact CE1-CG2 3.88Å; Y90-S103 WeakPolarHBondContact CE1-OG 3.46Å; Y90-S103 PolarHBondContact OH-O 3.42Å; Y90-S103 PolarHBondContact OH-OG 3.01Å; Y90-L107 HydrophobicContact CD1-CB 4.48Å; Y90-L107 HydrophobicContact CD1-CD1 3.96Å; Y90-L107 HydrophobicContact CD1-CD2 4.42Å; Y90-L107 HydrophobicContact CD2-CD1 3.86Å; Y90-L107 HydrophobicContact CE1-CB 3.99Å; Y90-L107 HydrophobicContact CE1-CD1 4.31Å; Y90-L107 HydrophobicContact CE1-CD2 4.5Å; Y90-L107 HydrophobicContact CE1-CG 4.5Å; Y90-L107 HydrophobicContact CE2-CB 4.22Å; Y90-L107 HydrophobicContact CE2-CD1 4.23Å; Y90-L107 HydrophobicContact CG-CD1 3.72Å; Y90-M110 HydrophobicContact CD2-CE 4.36Å; Y90-M110 HydrophobicContact CD2-SD 4.42Å; Y90-V122 PolarHBondContact N-O 2.87Å; Y90-V123 CarbonylContact O-C 3.49Å; Y90-V123 WeakPolarHBondContact O-CA 3.34Å; Y90-F124 PolarHBondContact O-N 3.06Å; Y90-L143 HydrophobicContact CD1-CD1 4.49Å
91	V	97.6	Very high	94.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.7	-175.4	-170.9	0	0	0	0	110	I22 L23 A28 K30 I33 I89 F124 N126	I22-V91 HydrophobicContact CG2-CG2 3.67Å; L23-V91 PolarHBondContact O-N 2.86Å; A28-V91 HydrophobicContact CB-CB 4.33Å; A28-V91 HydrophobicContact CB-CG1 4.06Å; A28-V91 WeakPolarHBondContact CB-O 2.99Å; A28-V91 VanDerWaalsContact O-CG1 3.26Å; A28-V91 WeakPolarHBondContact O-CG1 3.46Å; K30-V91 HydrophobicContact CG-CB 3.83Å; K30-V91 HydrophobicContact CG-CG1 4.48Å; K30-V91 HydrophobicContact CG-CG2 3.88Å; I33-V91 HydrophobicContact CD1-CB 4.34Å; I33-V91 HydrophobicContact CD1-CG1 3.53Å; I33-V91 HydrophobicContact CD1-CG2 3.78Å; I89-V91 HydrophobicContact CG2-CG2 4.07Å; V91-F124 HydrophobicContact CG1-CB 4.34Å; V91-F124 HydrophobicContact CG2-CB 4.39Å; V91-F124 HydrophobicContact CG2-CD2 4.29Å; V91-N126 HydrophobicContact CG1-CB 3.85Å
92	V	97.9	Very high	94.8	Very high	3 Å²	3	37 Å²	37	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.6	-178.4	-174	0	0	0	0	109	Y90 S94 M100 V123 F124 N126 V139 L143	Y90-V92 HydrophobicContact CD1-CG2 3.79Å; Y90-V92 HydrophobicContact CE1-CG2 3.88Å; V92-S94 PolarHBondContact O-N 3.26Å; V92-M100 HydrophobicContact CG1-CE 3.56Å; V92-M100 HydrophobicContact CG1-SD 3.91Å; V92-V123 HydrophobicContact CG2-CG1 3.98Å; V92-F124 PolarHBondContact N-O 2.87Å; V92-N126 WeakPolarHBondContact O-CA 3.48Å; V92-N126 WeakPolarHBondContact O-CB 3.08Å; V92-N126 PolarHBondContact O-N 2.81Å; V92-V139 HydrophobicContact CB-CG1 4.19Å; V92-V139 HydrophobicContact CG1-CG1 3.98Å; V92-V139 HydrophobicContact CG2-CG1 4.19Å; V92-L143 HydrophobicContact CG2-CD1 3.71Å
93	D	97.3	Very high	95	Very high	18 Å²	18	36.8 Å²	36.8	10%	0.096	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	106	164.9	-171	-20.8	0	0	0	109.2	S95 D96 K127	D93-S95 PolarHBondContact O-N 3.48Å; D93-S95 WeakPolarHBondContact OD1-CA 3.36Å; D93-S95 WeakPolarHBondContact OD1-CB 3.31Å; D93-S95 PolarHBondContact OD1-N 3.21Å; D93-S95 PolarHBondContact OD1-OG 2.92Å; D93-D96 HydrophobicContact CB-CB 3.82Å; D93-D96 PolarHBondContact O-N 2.97Å; D93-D96 PolarHBondContact OD1-N 2.83Å; D93-K127 WeakPolarHBondContact OD1-CD 3.28Å; D93-K127 IonicContact OD1-NZ 3.94Å; D93-K127 WeakPolarHBondContact OD2-CE 3.48Å; D93-K127 IonicContact OD2-NZ 3.84Å; D93-K127 PolarHBondContact OD2-NZ 2.82Å
94	S	98.2	Very high	95.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-16.7	179.4	-64	0	0	0	0	113.4	V92 A125 N126 Q128 A133 M134	V92-S94 PolarHBondContact O-N 3.26Å; S94-A125 VanDerWaalsContact OG-C 3.31Å; S94-A125 WeakPolarHBondContact OG-CA 3.39Å; S94-N126 WeakPolarHBondContact CB-O 3.48Å; S94-N126 PolarHBondContact N-O 3.47Å; S94-N126 PolarHBondContact OG-N 2.9Å; S94-N126 PolarHBondContact OG-O 3.31Å; S94-Q128 PolarHBondContact OG-NE2 2.81Å; S94-A133 CarbonylContact O-C 3.58Å; S94-A133 WeakPolarHBondContact O-CA 3.42Å; S94-M134 WeakPolarHBondContact CB-O 3.3Å; S94-M134 WeakPolarHBondContact O-CG 3.38Å; S94-M134 PolarHBondContact O-N 2.81Å
95	S	96.7	Very high	95.8	Very high	36 Å²	36	36 Å²	36	25%	0.252	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-18.2	176.4	71.9	0	0	0	0	112.8	D93 R97 M130	D93-S95 PolarHBondContact O-N 3.48Å; D93-S95 WeakPolarHBondContact OD1-CA 3.36Å; D93-S95 WeakPolarHBondContact OD1-CB 3.31Å; D93-S95 PolarHBondContact OD1-N 3.21Å; D93-S95 PolarHBondContact OD1-OG 2.92Å; S95-R97 PolarHBondContact O-N 3.49Å; S95-M130 PolarHBondContact OG-SD 3.29Å; S95-M130 VanDerWaalsContact OG-SD 3.41Å
96	D	95.8	Very high	96	Very high	31 Å²	31	37.9 Å²	37.9	17%	0.166	20%	0.203	C	C	.	.			trans	-94.9	79.6	-175.2	-164.2	-30.1	0	0	0	111.9	D93 D98 R99	D93-D96 HydrophobicContact CB-CB 3.82Å; D93-D96 PolarHBondContact O-N 2.97Å; D93-D96 PolarHBondContact OD1-N 2.83Å; D96-D98 VanDerWaalsContact C-N 3.31Å; D96-D98 PolarHBondContact O-N 3.35Å; D96-R99 WeakPolarHBondContact OD1-CB 3.5Å; D96-R99 WeakPolarHBondContact OD1-CG 3.1Å; D96-R99 PolarHBondContact OD1-N 2.92Å; D96-R99 IonicContact OD1-NE 2.69Å; D96-R99 IonicContact OD2-CZ 3.71Å; D96-R99 IonicContact OD2-NE 3.77Å; D96-R99 PolarHBondContact OD2-NE 2.82Å; D96-R99 IonicContact OD2-NH2 2.84Å; D96-R99 PolarHBondContact OD2-NH2 2.83Å
97	R	95.9	Very high	96.1	Very high	112 Å²	112	37.3 Å²	37.3	42%	0.423	20%	0.2	S	C	.	.	S	Bend	trans	-67.2	-33.1	-179.6	-65	-178.7	178.3	-102.6	-2.1	112.2	S95 R99 M100 Q132 M134 E138	S95-R97 PolarHBondContact O-N 3.49Å; R97-R99 PolarHBondContact O-N 3.04Å; R97-M100 WeakPolarHBondContact O-CB 3.46Å; R97-M100 PolarHBondContact O-N 3.15Å; R97-Q132 PolarHBondContact NH2-O 3.3Å; R97-M134 HydrophobicContact CG-CG 3.99Å; R97-M134 HydrophobicContact CG-SD 3.85Å; R97-M134 VanDerWaalsContact CZ-CG 3.42Å; R97-E138 IonicContact NH1-OE1 3.72Å
98	D	95.7	Very high	96.2	Very high	156 Å²	156	40 Å²	40	83%	0.834	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-39.2	-175.7	-64.6	-25.6	0	0	0	111.9	D96	D96-D98 VanDerWaalsContact C-N 3.31Å; D96-D98 PolarHBondContact O-N 3.35Å
99	R	95.1	Very high	96.1	Very high	66 Å²	66	42.2 Å²	42.2	25%	0.249	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	5.8	180	-61.3	-167.6	-68.5	164.7	3.5	113.9	L25 D26 D96 R97 G101 I102 S103	L25-R99 HydrophobicContact CD1-CB 3.87Å; D26-R99 PolarHBondContact O-NH1 2.76Å; D26-R99 PolarHBondContact O-NH2 3.08Å; D26-R99 IonicContact OD1-NH1 2.64Å; D26-R99 PolarHBondContact OD1-NH1 3.25Å; D26-R99 IonicContact OD2-CZ 3.11Å; D26-R99 IonicContact OD2-NH1 2.66Å; D26-R99 PolarHBondContact OD2-NH1 3.08Å; D96-R99 WeakPolarHBondContact OD1-CB 3.5Å; D96-R99 WeakPolarHBondContact OD1-CG 3.1Å; D96-R99 PolarHBondContact OD1-N 2.92Å; D96-R99 IonicContact OD1-NE 2.69Å; D96-R99 IonicContact OD2-CZ 3.71Å; D96-R99 IonicContact OD2-NE 3.77Å; D96-R99 PolarHBondContact OD2-NE 2.82Å; D96-R99 IonicContact OD2-NH2 2.84Å; D96-R99 PolarHBondContact OD2-NH2 2.83Å; R97-R99 PolarHBondContact O-N 3.04Å; R99-G101 VanDerWaalsContact C-N 3.31Å; R99-G101 PolarHBondContact O-N 3.45Å; R99-I102 HydrophobicContact CB-CD1 4.4Å; R99-I102 HydrophobicContact CG-CD1 4.23Å; R99-I102 WeakPolarHBondContact O-CB 3.35Å; R99-I102 PolarHBondContact O-N 3.46Å; R99-I102 VanDerWaalsContact O-N 3.15Å; R99-S103 PolarHBondContact O-N 3.35Å
100	M	96.2	Very high	96	Very high	12 Å²	12	42.2 Å²	42.2	6%	0.059	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-38.4	-179.9	-167.9	56.7	65.1	0	0	112.7	V92 R97 I102 S103 K104 M134 V139 A142 L143	V92-M100 HydrophobicContact CG1-CE 3.56Å; V92-M100 HydrophobicContact CG1-SD 3.91Å; R97-M100 WeakPolarHBondContact O-CB 3.46Å; R97-M100 PolarHBondContact O-N 3.15Å; M100-I102 VanDerWaalsContact C-N 3.35Å; M100-I102 PolarHBondContact O-N 3.16Å; M100-S103 WeakPolarHBondContact O-CB 3.45Å; M100-S103 PolarHBondContact O-N 2.7Å; M100-K104 PolarHBondContact O-N 3.37Å; M100-M134 HydrophobicContact CE-CE 4.28Å; M100-M134 HydrophobicContact CE-SD 3.58Å; M100-M134 VanDerWaalsContact CE-SD 3.58Å; M100-V139 HydrophobicContact CE-CG2 4.41Å; M100-A142 HydrophobicContact CG-CB 3.49Å; M100-A142 VanDerWaalsContact CG-CB 3.49Å; M100-A142 HydrophobicContact SD-CB 4.18Å; M100-L143 HydrophobicContact SD-CD2 4.05Å; M100-L143 HydrophobicContact SD-CG 4.32Å
101	G	96.2	Very high	95.8	Very high	48 Å²	48	43.1 Å²	43.1	50%	0.495	24%	0.24	S	C	.	.	H	α-helix	trans	-62.7	-40.7	175.3	0	0	0	0	0	112.7	R99 K104 S105	R99-G101 VanDerWaalsContact C-N 3.31Å; R99-G101 PolarHBondContact O-N 3.45Å; G101-K104 WeakPolarHBondContact O-CB 3.24Å; G101-K104 PolarHBondContact O-N 2.9Å; G101-S105 PolarHBondContact O-N 3Å; G101-S105 VanDerWaalsContact O-N 3.08Å; G101-S105 PolarHBondContact O-OG 3.08Å
102	I	94.9	Very high	95.7	Very high	76 Å²	76	50.1 Å²	50.1	39%	0.39	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-47	175.1	-58.3	171.2	0	0	0	109.5	L25 R75 R99 M100 K104 S105 E106	L25-I102 HydrophobicContact CD1-CB 4.26Å; L25-I102 HydrophobicContact CD1-CG2 4.17Å; L25-I102 HydrophobicContact CD2-CG2 4.18Å; R75-I102 VanDerWaalsContact NH1-CG2 3.29Å; R99-I102 HydrophobicContact CB-CD1 4.4Å; R99-I102 HydrophobicContact CG-CD1 4.23Å; R99-I102 WeakPolarHBondContact O-CB 3.35Å; R99-I102 PolarHBondContact O-N 3.46Å; R99-I102 VanDerWaalsContact O-N 3.15Å; M100-I102 VanDerWaalsContact C-N 3.35Å; M100-I102 PolarHBondContact O-N 3.16Å; I102-K104 VanDerWaalsContact C-N 3.27Å; I102-K104 PolarHBondContact O-N 3.06Å; I102-S105 PolarHBondContact O-N 3.38Å; I102-S105 VanDerWaalsContact O-N 3.13Å; I102-E106 HydrophobicContact CG2-CG 4.34Å; I102-E106 WeakPolarHBondContact O-CG 3.48Å; I102-E106 PolarHBondContact O-N 2.86Å
103	S	95.7	Very high	95.5	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.028	29%	0.288	C	S	.	.	H	α-helix	trans	-58.1	-40.2	178.2	-168.2	0	0	0	0	112	Y90 R99 M100 L107	Y90-S103 WeakPolarHBondContact CE1-OG 3.46Å; Y90-S103 PolarHBondContact OH-O 3.42Å; Y90-S103 PolarHBondContact OH-OG 3.01Å; R99-S103 PolarHBondContact O-N 3.35Å; M100-S103 WeakPolarHBondContact O-CB 3.45Å; M100-S103 PolarHBondContact O-N 2.7Å; S103-L107 WeakPolarHBondContact O-CB 3.42Å; S103-L107 PolarHBondContact O-N 3.35Å
104	K	97.1	Very high	95.3	Very high	87 Å²	87	58.7 Å²	58.7	38%	0.378	31%	0.312	S	S	.	.	H	α-helix	trans	-60.8	-50.9	173.4	-177.8	-171.2	-167.5	165.7	0	111.8	M100 G101 I102 E106 L107 V108 A142 L143	M100-K104 PolarHBondContact O-N 3.37Å; G101-K104 WeakPolarHBondContact O-CB 3.24Å; G101-K104 PolarHBondContact O-N 2.9Å; I102-K104 VanDerWaalsContact C-N 3.27Å; I102-K104 PolarHBondContact O-N 3.06Å; K104-E106 VanDerWaalsContact C-N 3.32Å; K104-E106 PolarHBondContact O-N 3.02Å; K104-L107 PolarHBondContact O-N 3.43Å; K104-V108 HydrophobicContact CG-CG2 4.35Å; K104-V108 WeakPolarHBondContact O-CG2 3.35Å; K104-V108 PolarHBondContact O-N 2.83Å; K104-A142 VanDerWaalsContact CD-O 3.3Å; K104-A142 WeakPolarHBondContact CD-O 3.27Å; K104-L143 HydrophobicContact CB-CD2 4.2Å
105	S	95.1	Very high	95.2	Very high	81 Å²	81	63.2 Å²	63.2	57%	0.566	33%	0.333	S	S	*	.	H	α-helix	trans	-59.2	-43.5	-178.4	-68	0	0	0	0	112	G101 I102 V108 A109	G101-S105 PolarHBondContact O-N 3Å; G101-S105 VanDerWaalsContact O-N 3.08Å; G101-S105 PolarHBondContact O-OG 3.08Å; I102-S105 PolarHBondContact O-N 3.38Å; I102-S105 VanDerWaalsContact O-N 3.13Å; S105-V108 PolarHBondContact O-N 2.96Å; S105-A109 WeakPolarHBondContact O-CB 3.43Å; S105-A109 PolarHBondContact O-N 3.21Å
106	E	94.4	Very high	95.1	Very high	47 Å²	47	61.5 Å²	61.5	22%	0.22	32%	0.321	C	S	.	.	H	α-helix	trans	-66.6	-41.6	177.4	-62.4	-68.2	174.7	0	0	112.1	L25 R75 W78 I102 K104 M110	L25-E106 HydrophobicContact CD2-CG 4.04Å; R75-E106 WeakPolarHBondContact CD-OE1 3.28Å; R75-E106 IonicContact CZ-OE1 3.78Å; R75-E106 IonicContact NE-OE1 2.71Å; R75-E106 IonicContact NH1-OE1 3.1Å; R75-E106 PolarHBondContact NH1-OE1 3.05Å; W78-E106 HydrophobicContact CH2-CB 4.41Å; W78-E106 HydrophobicContact CZ3-CB 4.13Å; I102-E106 HydrophobicContact CG2-CG 4.34Å; I102-E106 WeakPolarHBondContact O-CG 3.48Å; I102-E106 PolarHBondContact O-N 2.86Å; K104-E106 VanDerWaalsContact C-N 3.32Å; K104-E106 PolarHBondContact O-N 3.02Å; E106-M110 VanDerWaalsContact O-CB 3.25Å; E106-M110 WeakPolarHBondContact O-CB 3.43Å; E106-M110 PolarHBondContact O-N 3.49Å
107	L	95.9	Very high	95	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-60.6	-49.3	175.2	176.8	66.2	0	0	0	111	Y90 S103 K104 M110 L111 L121 L143 L145	Y90-L107 HydrophobicContact CD1-CB 4.48Å; Y90-L107 HydrophobicContact CD1-CD1 3.96Å; Y90-L107 HydrophobicContact CD1-CD2 4.42Å; Y90-L107 HydrophobicContact CD2-CD1 3.86Å; Y90-L107 HydrophobicContact CE1-CB 3.99Å; Y90-L107 HydrophobicContact CE1-CD1 4.31Å; Y90-L107 HydrophobicContact CE1-CD2 4.5Å; Y90-L107 HydrophobicContact CE1-CG 4.5Å; Y90-L107 HydrophobicContact CE2-CB 4.22Å; Y90-L107 HydrophobicContact CE2-CD1 4.23Å; Y90-L107 HydrophobicContact CG-CD1 3.72Å; S103-L107 WeakPolarHBondContact O-CB 3.42Å; S103-L107 PolarHBondContact O-N 3.35Å; K104-L107 PolarHBondContact O-N 3.43Å; L107-M110 HydrophobicContact CD1-CE 3.69Å; L107-M110 PolarHBondContact O-N 2.98Å; L107-L111 HydrophobicContact CD1-CD1 3.86Å; L107-L111 HydrophobicContact CD1-CD2 4.49Å; L107-L111 HydrophobicContact CD1-CG 4.04Å; L107-L111 HydrophobicContact CG-CD1 3.92Å; L107-L111 HydrophobicContact CG-CG 4.38Å; L107-L111 VanDerWaalsContact O-CG 3.22Å; L107-L111 WeakPolarHBondContact O-CG 3.44Å; L107-L111 PolarHBondContact O-N 3.26Å; L107-L121 HydrophobicContact CD1-CD1 4.18Å; L107-L121 HydrophobicContact CD1-CD2 4.32Å; L107-L143 HydrophobicContact CD2-CB 4.03Å; L107-L143 HydrophobicContact CD2-CD1 3.94Å; L107-L143 HydrophobicContact CD2-CD2 4.23Å; L107-L143 HydrophobicContact CD2-CG 4.3Å; L107-L145 HydrophobicContact CD2-CD2 3.73Å
108	V	95.1	Very high	94.8	Very high	58 Å²	58	68.4 Å²	68.4	35%	0.352	35%	0.352	S	S	.	.	H	α-helix	trans	-62.2	-49.5	-178.8	171.8	0	0	0	0	110.5	K104 S105 M110 L111 E112	K104-V108 HydrophobicContact CG-CG2 4.35Å; K104-V108 WeakPolarHBondContact O-CG2 3.35Å; K104-V108 PolarHBondContact O-N 2.83Å; S105-V108 PolarHBondContact O-N 2.96Å; V108-M110 VanDerWaalsContact C-N 3.3Å; V108-M110 PolarHBondContact O-N 3.5Å; V108-L111 PolarHBondContact O-N 3.48Å; V108-E112 WeakPolarHBondContact O-CG 3.48Å; V108-E112 PolarHBondContact O-N 3.26Å; V108-E112 VanDerWaalsContact O-N 3.14Å
109	A	93.4	Very high	94.8	Very high	47 Å²	47	61.1 Å²	61.1	39%	0.388	31%	0.314	S	S	.	.	H	α-helix	trans	-57.1	-43.6	178.3	0	0	0	0	0	111.9	S105 L111 E112	S105-A109 WeakPolarHBondContact O-CB 3.43Å; S105-A109 PolarHBondContact O-N 3.21Å; A109-L111 PolarHBondContact O-N 3.2Å; A109-E112 PolarHBondContact O-N 2.57Å
110	M	94.2	Very high	94.8	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-62.8	-41.3	175.5	176.8	-162.7	81.1	0	0	112.5	L23 Y82 V88 Y90 E106 L107 V108 E112 E113 L116	L23-M110 HydrophobicContact CB-SD 4.24Å; L23-M110 HydrophobicContact CD1-CG 4.28Å; L23-M110 HydrophobicContact CD1-SD 3.31Å; L23-M110 WeakPolarHBondContact CD1-SD 3.26Å; L23-M110 HydrophobicContact CG-SD 4.38Å; Y82-M110 HydrophobicContact CE1-CG 4.13Å; V88-M110 HydrophobicContact CB-CE 4.47Å; V88-M110 HydrophobicContact CG1-CE 3.81Å; V88-M110 HydrophobicContact CG1-SD 3.97Å; Y90-M110 HydrophobicContact CD2-CE 4.36Å; Y90-M110 HydrophobicContact CD2-SD 4.42Å; E106-M110 VanDerWaalsContact O-CB 3.25Å; E106-M110 WeakPolarHBondContact O-CB 3.43Å; E106-M110 PolarHBondContact O-N 3.49Å; L107-M110 HydrophobicContact CD1-CE 3.69Å; L107-M110 PolarHBondContact O-N 2.98Å; V108-M110 VanDerWaalsContact C-N 3.3Å; V108-M110 PolarHBondContact O-N 3.5Å; M110-E112 VanDerWaalsContact C-N 3.27Å; M110-E112 PolarHBondContact O-N 3.22Å; M110-E113 WeakPolarHBondContact O-CB 3.36Å; M110-E113 PolarHBondContact O-N 3.24Å; M110-L116 HydrophobicContact CG-CD1 3.42Å; M110-L116 VanDerWaalsContact CG-CD1 3.42Å; M110-L116 WeakPolarHBondContact O-CD1 3.26Å; M110-L116 HydrophobicContact SD-CD1 4.27Å
111	L	94.1	Very high	94.9	Very high	19 Å²	19	57.6 Å²	57.6	10%	0.099	30%	0.3	C	S	.	.	H	α-helix	trans	-74.4	-15.6	-176.8	-67.3	178.4	0	0	0	113.9	L107 V108 A109 E113 L121 L148 R151	L107-L111 HydrophobicContact CD1-CD1 3.86Å; L107-L111 HydrophobicContact CD1-CD2 4.49Å; L107-L111 HydrophobicContact CD1-CG 4.04Å; L107-L111 HydrophobicContact CG-CD1 3.92Å; L107-L111 HydrophobicContact CG-CG 4.38Å; L107-L111 VanDerWaalsContact O-CG 3.22Å; L107-L111 WeakPolarHBondContact O-CG 3.44Å; L107-L111 PolarHBondContact O-N 3.26Å; V108-L111 PolarHBondContact O-N 3.48Å; A109-L111 PolarHBondContact O-N 3.2Å; L111-E113 VanDerWaalsContact C-N 3.31Å; L111-L121 HydrophobicContact CD1-CD2 3.95Å; L111-L121 HydrophobicContact CD2-CD2 4.33Å; L111-L148 HydrophobicContact CD1-CD1 3.74Å; L111-L148 HydrophobicContact CD1-CD2 3.96Å; L111-R151 PolarHBondContact O-NH2 2.98Å; L111-R151 VanDerWaalsContact O-NH2 3.08Å
112	E	93.9	Very high	95	Very high	147 Å²	147	55.3 Å²	55.3	69%	0.687	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.1	174	-73.5	176.7	171.9	0	0	113.1	V108 A109 M110	V108-E112 WeakPolarHBondContact O-CG 3.48Å; V108-E112 PolarHBondContact O-N 3.26Å; V108-E112 VanDerWaalsContact O-N 3.14Å; A109-E112 PolarHBondContact O-N 2.57Å; M110-E112 VanDerWaalsContact C-N 3.27Å; M110-E112 PolarHBondContact O-N 3.22Å
113	E	94.9	Very high	95.2	Very high	74 Å²	74	51.7 Å²	51.7	35%	0.346	26%	0.258	S	S	.	.	S	Bend	trans	-73.4	129.2	-177.8	-62.3	-84.3	-170.7	0	0	111.2	Y82 M110 L111 E115 L116 K117	Y82-E113 HydrophobicContact CD2-CB 3.86Å; Y82-E113 HydrophobicContact CD2-CG 3.99Å; Y82-E113 HydrophobicContact CE2-CB 4.04Å; Y82-E113 HydrophobicContact CE2-CG 3.66Å; M110-E113 WeakPolarHBondContact O-CB 3.36Å; M110-E113 PolarHBondContact O-N 3.24Å; L111-E113 VanDerWaalsContact C-N 3.31Å; E113-E115 VanDerWaalsContact C-N 3.26Å; E113-E115 PolarHBondContact O-N 2.9Å; E113-L116 PolarHBondContact O-N 3.39Å; E113-K117 PolarHBondContact O-N 3.01Å
114	E	93.6	Very high	95.3	Very high	128 Å²	128	51.5 Å²	51.5	60%	0.598	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-62.3	-33.8	-171.9	-78.8	-69.9	146.1	0	0	112.1	L116 K117	E114-L116 PolarHBondContact O-N 2.71Å; E114-K117 VanDerWaalsContact O-CB 3.22Å; E114-K117 WeakPolarHBondContact O-CB 3.47Å; E114-K117 PolarHBondContact O-N 2.66Å; E114-K117 VanDerWaalsContact O-N 3.16Å; E114-K117 IonicContact OE1-NZ 2.86Å; E114-K117 PolarHBondContact OE1-NZ 3.49Å; E114-K117 VanDerWaalsContact OE2-CD 3.26Å; E114-K117 WeakPolarHBondContact OE2-CD 3.34Å; E114-K117 IonicContact OE2-NZ 2.98Å; E114-K117 PolarHBondContact OE2-NZ 3.33Å
115	E	94.9	Very high	95.3	Very high	95 Å²	95	47.4 Å²	47.4	44%	0.444	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-60.7	-29.7	175.7	-66.2	90.3	154.7	0	0	112.5	E113	E113-E115 VanDerWaalsContact C-N 3.26Å; E113-E115 PolarHBondContact O-N 2.9Å
116	L	95.1	Very high	95.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-96.4	-4.5	-179.9	-65.2	-175.3	0	0	0	113	L21 Y82 T85 V88 M110 E113 E114 K118 A119 R151	L21-L116 HydrophobicContact CD1-CD2 4.47Å; Y82-L116 HydrophobicContact CD1-CD1 3.64Å; Y82-L116 HydrophobicContact CD1-CD2 4.16Å; Y82-L116 HydrophobicContact CD1-CG 4.06Å; Y82-L116 HydrophobicContact CD2-CD1 3.98Å; Y82-L116 HydrophobicContact CD2-CG 4.13Å; Y82-L116 HydrophobicContact CE1-CD1 3.81Å; Y82-L116 HydrophobicContact CE2-CD1 4.2Å; Y82-L116 HydrophobicContact CG-CD1 3.73Å; Y82-L116 HydrophobicContact CG-CD2 4.09Å; Y82-L116 HydrophobicContact CG-CG 3.75Å; T85-L116 HydrophobicContact CG2-CD2 3.96Å; V88-L116 HydrophobicContact CG2-CD1 4.3Å; V88-L116 HydrophobicContact CG2-CD2 4.06Å; M110-L116 HydrophobicContact CG-CD1 3.42Å; M110-L116 VanDerWaalsContact CG-CD1 3.42Å; M110-L116 WeakPolarHBondContact O-CD1 3.26Å; M110-L116 HydrophobicContact SD-CD1 4.27Å; E113-L116 PolarHBondContact O-N 3.39Å; E114-L116 PolarHBondContact O-N 2.71Å; L116-K118 PolarHBondContact O-N 3.02Å; L116-A119 HydrophobicContact CD2-CB 4.32Å; L116-A119 WeakPolarHBondContact O-CB 3.24Å; L116-A119 PolarHBondContact O-N 3.29Å; L116-R151 PolarHBondContact O-NH1 3.5Å; L116-R151 PolarHBondContact O-NH2 2.91Å
117	K	93.1	Very high	95.6	Very high	119 Å²	119	43.9 Å²	43.9	52%	0.517	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-37.5	-175.5	-168.8	168.7	-166.5	158.5	0	114.5	E113 E114	E113-K117 PolarHBondContact O-N 3.01Å; E114-K117 VanDerWaalsContact O-CB 3.22Å; E114-K117 WeakPolarHBondContact O-CB 3.47Å; E114-K117 PolarHBondContact O-N 2.66Å; E114-K117 VanDerWaalsContact O-N 3.16Å; E114-K117 IonicContact OE1-NZ 2.86Å; E114-K117 PolarHBondContact OE1-NZ 3.49Å; E114-K117 VanDerWaalsContact OE2-CD 3.26Å; E114-K117 WeakPolarHBondContact OE2-CD 3.34Å; E114-K117 IonicContact OE2-NZ 2.98Å; E114-K117 PolarHBondContact OE2-NZ 3.33Å
118	K	91.8	Very high	95.7	Very high	168 Å²	168	45.2 Å²	45.2	73%	0.73	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-12.1	-180	-59.3	-179	176.4	174.3	0	113.8	L116 R180	L116-K118 PolarHBondContact O-N 3.02Å; K118-R180 PolarHBondContact O-NE 3.33Å; K118-R180 PolarHBondContact O-NH1 3.35Å; K118-R180 PolarHBondContact O-NH2 3.45Å; K118-R180 VanDerWaalsContact O-NH2 3.1Å
119	A	95.1	Very high	95.7	Very high	3 Å²	3	46.1 Å²	46.1	3%	0.025	22%	0.222	C	C	.	.			trans	-63.9	139.6	-175.3	0	0	0	0	0	111.9	T85 D86 V88 L116 R151	T85-A119 HydrophobicContact CG2-CB 4.38Å; D86-A119 WeakPolarHBondContact O-CA 3.38Å; V88-A119 HydrophobicContact CG2-CB 4.37Å; L116-A119 HydrophobicContact CD2-CB 4.32Å; L116-A119 WeakPolarHBondContact O-CB 3.24Å; L116-A119 PolarHBondContact O-N 3.29Å; A119-R151 PolarHBondContact O-NH1 3.23Å
120	I	96.7	Very high	95.8	Very high	5 Å²	5	48 Å²	48	3%	0.026	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	139.2	171	-62.1	174.8	0	0	0	108.1	D86 A87 V88 W172 L173 A176 L177	D86-I120 PolarHBondContact O-N 3.33Å; D86-I120 VanDerWaalsContact O-N 3.1Å; A87-I120 CarbonylContact C-O 3.58Å; A87-I120 VanDerWaalsContact CA-O 3.23Å; A87-I120 WeakPolarHBondContact CA-O 3.33Å; A87-I120 HydrophobicContact CB-CB 4.11Å; A87-I120 WeakPolarHBondContact CB-O 3.28Å; V88-I120 PolarHBondContact N-O 3.46Å; I120-W172 HydrophobicContact CG2-CH2 3.92Å; I120-W172 HydrophobicContact CG2-CZ3 3.82Å; I120-L173 HydrophobicContact CG2-CD1 4.14Å; I120-A176 HydrophobicContact CD1-CB 3.88Å; I120-A176 WeakPolarHBondContact CD1-O 3.46Å; I120-A176 HydrophobicContact CG2-CB 4.37Å; I120-L177 HydrophobicContact CD1-CD2 3.86Å; I120-L177 HydrophobicContact CD1-CG 4.1Å
121	L	97.8	Very high	95.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	126.3	176.6	175.3	66.2	0	0	0	110.6	V88 L107 L111 V123 L145 L148 K152 W153 Q154	V88-L121 HydrophobicContact CB-CD1 4.44Å; V88-L121 HydrophobicContact CG1-CD1 4.47Å; L107-L121 HydrophobicContact CD1-CD1 4.18Å; L107-L121 HydrophobicContact CD1-CD2 4.32Å; L111-L121 HydrophobicContact CD1-CD2 3.95Å; L111-L121 HydrophobicContact CD2-CD2 4.33Å; L121-V123 HydrophobicContact CD1-CG2 4.21Å; L121-V123 HydrophobicContact CD2-CG2 4.08Å; L121-V123 HydrophobicContact CG-CG2 3.96Å; L121-L145 HydrophobicContact CD2-CD2 4.26Å; L121-L148 HydrophobicContact CD2-CD1 3.83Å; L121-K152 PolarHBondContact N-O 3.47Å; L121-W153 HydrophobicContact CB-CB 3.87Å; L121-W153 HydrophobicContact CD2-CB 4.14Å; L121-W153 HydrophobicContact CG-CB 4.22Å; L121-W153 WeakPolarHBondContact O-CA 3.38Å; L121-W153 WeakPolarHBondContact O-CB 3.3Å; L121-Q154 PolarHBondContact O-N 3.23Å; L121-Q154 VanDerWaalsContact O-N 3.16Å
122	V	97.7	Very high	95.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.4	167.5	-177.4	0	0	0	0	107.6	V88 I89 Y90 F124 Q154 F156 W172 L173	V88-V122 PolarHBondContact O-N 2.81Å; I89-V122 CarbonylContact C-O 3.58Å; I89-V122 VanDerWaalsContact CA-O 3.31Å; I89-V122 WeakPolarHBondContact CA-O 3.33Å; I89-V122 HydrophobicContact CG1-CB 4.23Å; Y90-V122 PolarHBondContact N-O 2.87Å; V122-F124 HydrophobicContact CG1-CD1 3.81Å; V122-F124 HydrophobicContact CG1-CE1 3.37Å; V122-F124 HydrophobicContact CG1-CZ 4.32Å; V122-Q154 CarbonylContact C-O 3.6Å; V122-Q154 WeakPolarHBondContact CA-O 3.48Å; V122-F156 HydrophobicContact CG1-CD2 3.87Å; V122-F156 HydrophobicContact CG1-CE2 4.11Å; V122-W172 HydrophobicContact CG2-CE3 3.97Å; V122-W172 HydrophobicContact CG2-CZ3 3.63Å; V122-L173 HydrophobicContact CG2-CB 4.1Å; V122-L173 HydrophobicContact CG2-CD1 3.78Å; V122-L173 HydrophobicContact CG2-CD2 4.17Å; V122-L173 HydrophobicContact CG2-CG 4.23Å
123	V	98.5	Very high	95.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.8	176.7	-178	0	0	0	0	109.3	Y90 V92 L121 L143 L145 Q154 I155 F156	Y90-V123 CarbonylContact O-C 3.49Å; Y90-V123 WeakPolarHBondContact O-CA 3.34Å; V92-V123 HydrophobicContact CG2-CG1 3.98Å; L121-V123 HydrophobicContact CD1-CG2 4.21Å; L121-V123 HydrophobicContact CD2-CG2 4.08Å; L121-V123 HydrophobicContact CG-CG2 3.96Å; V123-L143 HydrophobicContact CG1-CD1 3.93Å; V123-L145 HydrophobicContact CB-CD1 4.18Å; V123-L145 HydrophobicContact CG1-CD1 4.39Å; V123-L145 HydrophobicContact CG2-CD1 3.78Å; V123-L145 HydrophobicContact CG2-CD2 4.08Å; V123-Q154 PolarHBondContact N-O 3.27Å; V123-I155 HydrophobicContact CB-CB 4.11Å; V123-I155 HydrophobicContact CB-CD1 4.19Å; V123-I155 HydrophobicContact CB-CG1 3.91Å; V123-I155 HydrophobicContact CG1-CD1 3.79Å; V123-I155 HydrophobicContact CG1-CG1 3.93Å; V123-I155 CarbonylContact O-C 3.56Å; V123-I155 VanDerWaalsContact O-CA 3.3Å; V123-I155 WeakPolarHBondContact O-CA 3.35Å; V123-F156 PolarHBondContact O-N 2.87Å
124	F	98.4	Very high	95.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	106.2	171.4	-72.4	-2	0	0	0	108.6	I33 I89 Y90 V91 V92 V122 N126 F156 T158 L166 A169	I33-F124 HydrophobicContact CD1-CD2 3.7Å; I33-F124 HydrophobicContact CD1-CE2 4.41Å; I33-F124 HydrophobicContact CG1-CD2 4.35Å; I33-F124 HydrophobicContact CG2-CD2 4.17Å; I33-F124 HydrophobicContact CG2-CE2 3.77Å; I89-F124 HydrophobicContact CD1-CZ 4.33Å; I89-F124 HydrophobicContact CG2-CD1 4.27Å; I89-F124 HydrophobicContact CG2-CD2 3.64Å; I89-F124 HydrophobicContact CG2-CE1 4.17Å; I89-F124 HydrophobicContact CG2-CE2 3.58Å; I89-F124 HydrophobicContact CG2-CG 4Å; I89-F124 HydrophobicContact CG2-CZ 3.85Å; Y90-F124 PolarHBondContact O-N 3.06Å; V91-F124 HydrophobicContact CG1-CB 4.34Å; V91-F124 HydrophobicContact CG2-CB 4.39Å; V91-F124 HydrophobicContact CG2-CD2 4.29Å; V92-F124 PolarHBondContact N-O 2.87Å; V122-F124 HydrophobicContact CG1-CD1 3.81Å; V122-F124 HydrophobicContact CG1-CE1 3.37Å; V122-F124 HydrophobicContact CG1-CZ 4.32Å; F124-N126 VanDerWaalsContact C-N 3.28Å; F124-N126 PolarHBondContact O-N 2.96Å; F124-F156 HydrophobicContact CD1-CB 4.36Å; F124-T158 HydrophobicContact CB-CG2 4.18Å; F124-T158 HydrophobicContact CD1-CG2 3.95Å; F124-T158 HydrophobicContact CD2-CG2 4.31Å; F124-T158 HydrophobicContact CE1-CG2 4.46Å; F124-T158 HydrophobicContact CG-CG2 3.89Å; F124-L166 HydrophobicContact CD2-CD2 4.24Å; F124-L166 HydrophobicContact CE2-CD2 3.91Å; F124-L166 HydrophobicContact CZ-CD2 4.49Å; F124-A169 HydrophobicContact CD1-CB 4.31Å; F124-A169 HydrophobicContact CE1-CB 3.37Å; F124-A169 HydrophobicContact CZ-CB 3.86Å
125	A	98.4	Very high	95.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	88.8	163.2	0	0	0	0	0	106.9	S94 Q128 P136 V139 I155 F156 T158	S94-A125 VanDerWaalsContact OG-C 3.31Å; S94-A125 WeakPolarHBondContact OG-CA 3.39Å; A125-Q128 WeakPolarHBondContact O-CG 3.23Å; A125-P136 HydrophobicContact CB-CB 4.4Å; A125-P136 HydrophobicContact CB-CG 4.37Å; A125-V139 HydrophobicContact CB-CB 4.32Å; A125-V139 HydrophobicContact CB-CG1 4.38Å; A125-V139 HydrophobicContact CB-CG2 4.11Å; A125-I155 HydrophobicContact CB-CD1 4.21Å; A125-I155 HydrophobicContact CB-CG1 4.3Å; A125-F156 PolarHBondContact N-O 2.88Å; A125-T158 PolarHBondContact O-N 2.8Å; A125-T158 PolarHBondContact O-OG1 2.95Å
126	N	98.3	Very high	95.7	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	165.5	-169	-169.8	32.2	0	0	0	112.1	A28 V91 V92 S94 F124 Q128 T158 A160	A28-N126 PolarHBondContact O-ND2 3.46Å; V91-N126 HydrophobicContact CG1-CB 3.85Å; V92-N126 WeakPolarHBondContact O-CA 3.48Å; V92-N126 WeakPolarHBondContact O-CB 3.08Å; V92-N126 PolarHBondContact O-N 2.81Å; S94-N126 WeakPolarHBondContact CB-O 3.48Å; S94-N126 PolarHBondContact N-O 3.47Å; S94-N126 PolarHBondContact OG-N 2.9Å; S94-N126 PolarHBondContact OG-O 3.31Å; F124-N126 VanDerWaalsContact C-N 3.28Å; F124-N126 PolarHBondContact O-N 2.96Å; N126-Q128 VanDerWaalsContact C-N 3.34Å; N126-T158 CarbonylContact C-O 3.53Å; N126-T158 WeakPolarHBondContact CA-O 3.43Å; N126-T158 VanDerWaalsContact CA-OG1 3.25Å; N126-T158 WeakPolarHBondContact CA-OG1 3.47Å; N126-T158 WeakPolarHBondContact CB-OG1 3.46Å; N126-T158 PolarHBondContact OD1-O 3.17Å; N126-A160 PolarHBondContact OD1-N 3.29Å
127	K	97.5	Very high	95.8	Very high	52 Å²	52	51.2 Å²	51.2	23%	0.226	26%	0.261	C	S	.	.			trans	65.2	34.9	-175.2	-47.1	-163.8	-168.5	172.9	0	113.8	G27 D93 D129 M130 A133 T158	G27-K127 WeakPolarHBondContact O-CE 3.49Å; G27-K127 PolarHBondContact O-NZ 2.96Å; D93-K127 WeakPolarHBondContact OD1-CD 3.28Å; D93-K127 IonicContact OD1-NZ 3.94Å; D93-K127 WeakPolarHBondContact OD2-CE 3.48Å; D93-K127 IonicContact OD2-NZ 3.84Å; D93-K127 PolarHBondContact OD2-NZ 2.82Å; K127-D129 WeakPolarHBondContact CA-OD1 3.33Å; K127-D129 PolarHBondContact O-N 3.38Å; K127-D129 VanDerWaalsContact O-N 3.11Å; K127-M130 HydrophobicContact CB-CG 4.12Å; K127-M130 HydrophobicContact CB-SD 3.92Å; K127-M130 HydrophobicContact CD-SD 3.75Å; K127-M130 HydrophobicContact CG-SD 4.48Å; K127-M130 WeakPolarHBondContact O-CB 3.22Å; K127-M130 PolarHBondContact O-N 2.83Å; K127-A133 WeakPolarHBondContact O-CB 3.41Å; K127-T158 PolarHBondContact N-O 3.43Å
128	Q	97.8	Very high	96	Very high	30 Å²	30	49.1 Å²	49.1	14%	0.14	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-3.5	178.1	-66.8	-77.5	-44.6	0	0	113.8	S94 A125 N126 M130 M134 K157 T158	S94-Q128 PolarHBondContact OG-NE2 2.81Å; A125-Q128 WeakPolarHBondContact O-CG 3.23Å; N126-Q128 VanDerWaalsContact C-N 3.34Å; Q128-M130 VanDerWaalsContact C-N 3.34Å; Q128-M134 PolarHBondContact NE2-O 3.31Å; Q128-K157 HydrophobicContact CB-CD 4.31Å; Q128-K157 VanDerWaalsContact CB-CE 3.48Å; Q128-K157 HydrophobicContact CB-CG 3.75Å; Q128-K157 HydrophobicContact CG-CB 4.48Å; Q128-K157 HydrophobicContact CG-CD 4.39Å; Q128-K157 HydrophobicContact CG-CG 3.43Å; Q128-K157 VanDerWaalsContact CG-CG 3.43Å; Q128-T158 WeakPolarHBondContact CB-O 3.48Å; Q128-T158 VanDerWaalsContact CG-O 3.29Å; Q128-T158 WeakPolarHBondContact CG-O 3.5Å; Q128-T158 PolarHBondContact N-O 2.96Å
129	D	94.9	Very high	96.4	Very high	76 Å²	76	41.1 Å²	41.1	41%	0.406	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-6.9	169	54	-67.8	0	0	0	113.8	K127 S159 T161 K162	K127-D129 WeakPolarHBondContact CA-OD1 3.33Å; K127-D129 PolarHBondContact O-N 3.38Å; K127-D129 VanDerWaalsContact O-N 3.11Å; D129-S159 VanDerWaalsContact CG-OG 3.23Å; D129-S159 VanDerWaalsContact OD1-CB 3.26Å; D129-S159 WeakPolarHBondContact OD1-CB 3.29Å; D129-S159 PolarHBondContact OD1-OG 3.21Å; D129-T161 PolarHBondContact OD2-OG1 2.93Å; D129-K162 HydrophobicContact CB-CG 4.48Å
130	M	94.3	Very high	96.5	Very high	88 Å²	88	41.3 Å²	41.3	43%	0.433	22%	0.219	S	C	.	.	S	Bend	trans	-89.6	136.2	178.8	-61.1	-172.7	76.2	0	0	112.5	S95 K127 Q128 Q132 A133	S95-M130 PolarHBondContact OG-SD 3.29Å; S95-M130 VanDerWaalsContact OG-SD 3.41Å; K127-M130 HydrophobicContact CB-CG 4.12Å; K127-M130 HydrophobicContact CB-SD 3.92Å; K127-M130 HydrophobicContact CD-SD 3.75Å; K127-M130 HydrophobicContact CG-SD 4.48Å; K127-M130 WeakPolarHBondContact O-CB 3.22Å; K127-M130 PolarHBondContact O-N 2.83Å; Q128-M130 VanDerWaalsContact C-N 3.34Å; M130-Q132 PolarHBondContact O-N 2.85Å; M130-A133 WeakPolarHBondContact O-CB 3.4Å; M130-A133 PolarHBondContact O-N 3.48Å; M130-A133 VanDerWaalsContact O-N 3.11Å
131	D	83.6	Confident	96.6	Very high	157 Å²	157	45.8 Å²	45.8	84%	0.84	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	119.4	169.1	-59.4	-35.2	0	0	0	107.9
132	Q	89.9	Confident	96.6	Very high	150 Å²	150	47.3 Å²	47.3	70%	0.701	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	96	0.6	-172.1	-51.2	-55	-52.1	0	0	117.7	R97 M130 M134	R97-Q132 PolarHBondContact NH2-O 3.3Å; M130-Q132 PolarHBondContact O-N 2.85Å; Q132-M134 PolarHBondContact O-N 2.82Å
133	A	96.6	Very high	96.6	Very high	20 Å²	20	47.5 Å²	47.5	17%	0.165	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-57.1	128.2	173.5	0	0	0	0	0	111.9	S94 K127 M130 T135	S94-A133 CarbonylContact O-C 3.58Å; S94-A133 WeakPolarHBondContact O-CA 3.42Å; K127-A133 WeakPolarHBondContact O-CB 3.41Å; M130-A133 WeakPolarHBondContact O-CB 3.4Å; M130-A133 PolarHBondContact O-N 3.48Å; M130-A133 VanDerWaalsContact O-N 3.11Å; A133-T135 PolarHBondContact O-N 3.08Å
134	M	98	Very high	96.5	Very high	15 Å²	15	48.4 Å²	48.4	7%	0.074	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-57.8	134.1	170.4	-69.2	176.2	70.6	0	0	110	S94 R97 M100 Q128 Q132 E138 V139 A142	S94-M134 WeakPolarHBondContact CB-O 3.3Å; S94-M134 WeakPolarHBondContact O-CG 3.38Å; S94-M134 PolarHBondContact O-N 2.81Å; R97-M134 HydrophobicContact CG-CG 3.99Å; R97-M134 HydrophobicContact CG-SD 3.85Å; R97-M134 VanDerWaalsContact CZ-CG 3.42Å; M100-M134 HydrophobicContact CE-CE 4.28Å; M100-M134 HydrophobicContact CE-SD 3.58Å; M100-M134 VanDerWaalsContact CE-SD 3.58Å; Q128-M134 PolarHBondContact NE2-O 3.31Å; Q132-M134 PolarHBondContact O-N 2.82Å; M134-E138 WeakPolarHBondContact CA-OE2 3.48Å; M134-E138 HydrophobicContact CB-CB 4.1Å; M134-E138 HydrophobicContact CE-CB 3.77Å; M134-V139 HydrophobicContact CB-CG2 3.67Å; M134-A142 HydrophobicContact CE-CB 3.96Å
135	T	97.9	Very high	96.5	Very high	64 Å²	64	48.4 Å²	48.4	39%	0.393	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-60.3	155.8	172.1	61.9	0	0	0	0	110.9	A133 T137 E138 V139	A133-T135 PolarHBondContact O-N 3.08Å; T135-T137 PolarHBondContact O-N 3.11Å; T135-T137 VanDerWaalsContact O-N 3.16Å; T135-E138 WeakPolarHBondContact CB-OE2 3.36Å; T135-E138 WeakPolarHBondContact CG2-OE2 3.31Å; T135-E138 PolarHBondContact N-OE2 3.41Å; T135-E138 PolarHBondContact O-N 2.9Å; T135-E138 VanDerWaalsContact OG1-CG 3.29Å; T135-E138 WeakPolarHBondContact OG1-CG 3.48Å; T135-E138 PolarHBondContact OG1-N 3.02Å; T135-E138 PolarHBondContact OG1-OE2 3.39Å; T135-V139 WeakPolarHBondContact O-CG2 3.42Å; T135-V139 PolarHBondContact O-N 2.84Å
136	P	97.8	Very high	96.4	Very high	31 Å²	31	52.1 Å²	52.1	20%	0.201	29%	0.291	C	S	.	.	H	α-helix	trans	-52.4	-37.5	174.9	-27.9	34.8	0	0	0	113.2	A125 V139 A140 I155 K157	A125-P136 HydrophobicContact CB-CB 4.4Å; A125-P136 HydrophobicContact CB-CG 4.37Å; P136-V139 PolarHBondContact O-N 3.3Å; P136-A140 WeakPolarHBondContact O-CB 3.47Å; P136-A140 PolarHBondContact O-N 3.23Å; P136-I155 HydrophobicContact CB-CD1 4.42Å; P136-I155 HydrophobicContact CB-CG1 4.36Å; P136-I155 HydrophobicContact CB-CG2 4.49Å; P136-I155 WeakPolarHBondContact O-CD1 3.33Å; P136-K157 HydrophobicContact CG-CB 3.76Å; P136-K157 HydrophobicContact CG-CG 4.24Å
137	T	97.9	Very high	96.2	Very high	95 Å²	95	55.6 Å²	55.6	58%	0.583	32%	0.32	S	S	*	.	H	α-helix	trans	-64.4	-44.3	176.6	-53	0	0	0	0	112.3	T135 A140 N141	T135-T137 PolarHBondContact O-N 3.11Å; T135-T137 VanDerWaalsContact O-N 3.16Å; T137-A140 PolarHBondContact O-N 3.46Å; T137-N141 WeakPolarHBondContact O-CB 3.16Å; T137-N141 VanDerWaalsContact O-CG 3.31Å; T137-N141 PolarHBondContact O-N 2.8Å; T137-N141 PolarHBondContact O-ND2 3.43Å
138	E	98.1	Very high	96.1	Very high	74 Å²	74	55.5 Å²	55.5	35%	0.346	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-43.3	175.4	-72.8	168.6	116.8	0	0	111.4	R97 M134 T135 N141 A142	R97-E138 IonicContact NH1-OE1 3.72Å; M134-E138 WeakPolarHBondContact CA-OE2 3.48Å; M134-E138 HydrophobicContact CB-CB 4.1Å; M134-E138 HydrophobicContact CE-CB 3.77Å; T135-E138 WeakPolarHBondContact CB-OE2 3.36Å; T135-E138 WeakPolarHBondContact CG2-OE2 3.31Å; T135-E138 PolarHBondContact N-OE2 3.41Å; T135-E138 PolarHBondContact O-N 2.9Å; T135-E138 VanDerWaalsContact OG1-CG 3.29Å; T135-E138 WeakPolarHBondContact OG1-CG 3.48Å; T135-E138 PolarHBondContact OG1-N 3.02Å; T135-E138 PolarHBondContact OG1-OE2 3.39Å; E138-N141 PolarHBondContact O-N 3.22Å; E138-A142 VanDerWaalsContact O-CB 3.28Å; E138-A142 WeakPolarHBondContact O-CB 3.44Å; E138-A142 PolarHBondContact O-N 2.98Å
139	V	98.4	Very high	95.7	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-61.5	-46	176.1	175.3	0	0	0	0	110.8	V92 M100 A125 M134 T135 P136 N141 A142 L143 I155	V92-V139 HydrophobicContact CB-CG1 4.19Å; V92-V139 HydrophobicContact CG1-CG1 3.98Å; V92-V139 HydrophobicContact CG2-CG1 4.19Å; M100-V139 HydrophobicContact CE-CG2 4.41Å; A125-V139 HydrophobicContact CB-CB 4.32Å; A125-V139 HydrophobicContact CB-CG1 4.38Å; A125-V139 HydrophobicContact CB-CG2 4.11Å; M134-V139 HydrophobicContact CB-CG2 3.67Å; T135-V139 WeakPolarHBondContact O-CG2 3.42Å; T135-V139 PolarHBondContact O-N 2.84Å; P136-V139 PolarHBondContact O-N 3.3Å; V139-N141 VanDerWaalsContact C-N 3.35Å; V139-N141 PolarHBondContact O-N 3.28Å; V139-A142 PolarHBondContact O-N 2.9Å; V139-L143 HydrophobicContact CG1-CD1 3.94Å; V139-L143 HydrophobicContact CG1-CG 4.28Å; V139-L143 WeakPolarHBondContact O-CB 3.49Å; V139-L143 WeakPolarHBondContact O-CG 3.25Å; V139-L143 PolarHBondContact O-N 3.03Å; V139-I155 HydrophobicContact CB-CD1 4.06Å; V139-I155 HydrophobicContact CG1-CD1 3.89Å
140	A	98.2	Very high	95.5	Very high	7 Å²	7	67 Å²	67	6%	0.058	38%	0.375	C	S	.	.	H	α-helix	trans	-60	-44.5	179.3	0	0	0	0	0	112.2	P136 T137 G144 L145 P146 I155	P136-A140 WeakPolarHBondContact O-CB 3.47Å; P136-A140 PolarHBondContact O-N 3.23Å; T137-A140 PolarHBondContact O-N 3.46Å; A140-G144 PolarHBondContact O-N 3.22Å; A140-L145 HydrophobicContact CB-CB 4.36Å; A140-L145 HydrophobicContact CB-CD1 3.9Å; A140-L145 HydrophobicContact CB-CG 4.35Å; A140-L145 PolarHBondContact O-N 3.21Å; A140-P146 WeakPolarHBondContact O-CD 3.47Å; A140-I155 HydrophobicContact CB-CD1 4.1Å; A140-I155 HydrophobicContact CB-CG2 4.47Å
141	N	98	Very high	95.5	Very high	99 Å²	99	64.4 Å²	64.4	53%	0.529	36%	0.361	S	S	.	.	H	α-helix	trans	-66.2	-44	177.1	-71.7	-24.7	0	0	0	111.7	T137 E138 V139 L143 G144	T137-N141 WeakPolarHBondContact O-CB 3.16Å; T137-N141 VanDerWaalsContact O-CG 3.31Å; T137-N141 PolarHBondContact O-N 2.8Å; T137-N141 PolarHBondContact O-ND2 3.43Å; E138-N141 PolarHBondContact O-N 3.22Å; V139-N141 VanDerWaalsContact C-N 3.35Å; V139-N141 PolarHBondContact O-N 3.28Å; N141-L143 VanDerWaalsContact C-N 3.34Å; N141-L143 PolarHBondContact O-N 2.92Å; N141-G144 PolarHBondContact O-N 2.98Å; N141-G144 VanDerWaalsContact O-N 3.08Å
142	A	97.8	Very high	96.1	Very high	33 Å²	33	61.4 Å²	61.4	27%	0.273	34%	0.34	S	S	.	.	H	α-helix	trans	-63.6	-40.6	179.7	0	0	0	0	0	112.1	M100 K104 M134 E138 V139 G144	M100-A142 HydrophobicContact CG-CB 3.49Å; M100-A142 VanDerWaalsContact CG-CB 3.49Å; M100-A142 HydrophobicContact SD-CB 4.18Å; K104-A142 VanDerWaalsContact CD-O 3.3Å; K104-A142 WeakPolarHBondContact CD-O 3.27Å; M134-A142 HydrophobicContact CE-CB 3.96Å; E138-A142 VanDerWaalsContact O-CB 3.28Å; E138-A142 WeakPolarHBondContact O-CB 3.44Å; E138-A142 PolarHBondContact O-N 2.98Å; V139-A142 PolarHBondContact O-N 2.9Å; A142-G144 VanDerWaalsContact C-N 3.27Å; A142-G144 PolarHBondContact O-N 3.49Å
143	L	97.9	Very high	96.4	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.016	32%	0.319	C	S	.	.	H	α-helix	trans	-73.8	-15.3	174	-70.1	-176.9	0	0	0	113.8	Y90 V92 M100 K104 L107 V123 V139 N141 L145	Y90-L143 HydrophobicContact CD1-CD1 4.49Å; V92-L143 HydrophobicContact CG2-CD1 3.71Å; M100-L143 HydrophobicContact SD-CD2 4.05Å; M100-L143 HydrophobicContact SD-CG 4.32Å; K104-L143 HydrophobicContact CB-CD2 4.2Å; L107-L143 HydrophobicContact CD2-CB 4.03Å; L107-L143 HydrophobicContact CD2-CD1 3.94Å; L107-L143 HydrophobicContact CD2-CD2 4.23Å; L107-L143 HydrophobicContact CD2-CG 4.3Å; V123-L143 HydrophobicContact CG1-CD1 3.93Å; V139-L143 HydrophobicContact CG1-CD1 3.94Å; V139-L143 HydrophobicContact CG1-CG 4.28Å; V139-L143 WeakPolarHBondContact O-CB 3.49Å; V139-L143 WeakPolarHBondContact O-CG 3.25Å; V139-L143 PolarHBondContact O-N 3.03Å; N141-L143 VanDerWaalsContact C-N 3.34Å; N141-L143 PolarHBondContact O-N 2.92Å; L143-L145 HydrophobicContact CB-CD2 4.03Å; L143-L145 HydrophobicContact CB-CG 4Å; L143-L145 HydrophobicContact CD1-CD2 4.37Å
144	G	97.1	Very high	96.5	Very high	20 Å²	20	59.8 Å²	59.8	21%	0.206	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	25.3	-177	0	0	0	0	0	114.1	A140 N141 A142 P146 A147	A140-G144 PolarHBondContact O-N 3.22Å; N141-G144 PolarHBondContact O-N 2.98Å; N141-G144 VanDerWaalsContact O-N 3.08Å; A142-G144 VanDerWaalsContact C-N 3.27Å; A142-G144 PolarHBondContact O-N 3.49Å; G144-P146 VanDerWaalsContact C-N 3.32Å; G144-A147 WeakPolarHBondContact O-CB 3.37Å; G144-A147 PolarHBondContact O-N 2.99Å
145	L	97.2	Very high	96.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-55.8	-37.3	178.6	-54.6	-177	0	0	0	113.9	L107 L121 V123 A140 L143 A147 L148 W153 I155	L107-L145 HydrophobicContact CD2-CD2 3.73Å; L121-L145 HydrophobicContact CD2-CD2 4.26Å; V123-L145 HydrophobicContact CB-CD1 4.18Å; V123-L145 HydrophobicContact CG1-CD1 4.39Å; V123-L145 HydrophobicContact CG2-CD1 3.78Å; V123-L145 HydrophobicContact CG2-CD2 4.08Å; A140-L145 HydrophobicContact CB-CB 4.36Å; A140-L145 HydrophobicContact CB-CD1 3.9Å; A140-L145 HydrophobicContact CB-CG 4.35Å; A140-L145 PolarHBondContact O-N 3.21Å; L143-L145 HydrophobicContact CB-CD2 4.03Å; L143-L145 HydrophobicContact CB-CG 4Å; L143-L145 HydrophobicContact CD1-CD2 4.37Å; L145-A147 PolarHBondContact O-N 3.36Å; L145-L148 HydrophobicContact CD2-CD1 3.99Å; L145-L148 WeakPolarHBondContact O-CB 3.09Å; L145-L148 PolarHBondContact O-N 2.64Å; L145-W153 HydrophobicContact CB-CD2 4.17Å; L145-W153 HydrophobicContact CB-CE3 4.06Å; L145-W153 HydrophobicContact CB-CH2 3.62Å; L145-W153 HydrophobicContact CB-CZ2 3.71Å; L145-W153 HydrophobicContact CB-CZ3 3.8Å; L145-W153 HydrophobicContact CD1-CE3 3.82Å; L145-W153 HydrophobicContact CD1-CH2 4.26Å; L145-W153 HydrophobicContact CD1-CZ3 3.63Å; L145-W153 HydrophobicContact CG-CE3 4.48Å; L145-W153 HydrophobicContact CG-CZ3 4.36Å; L145-W153 PolarHBondContact O-NE1 3.41Å; L145-I155 HydrophobicContact CD1-CB 4.32Å; L145-I155 HydrophobicContact CD1-CD1 4.09Å
146	P	96.5	Very high	96.6	Very high	77 Å²	77	57.9 Å²	57.9	50%	0.5	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-59.6	-18.4	176.8	-26.7	36.5	0	0	0	114.8	A140 G144 L148	A140-P146 WeakPolarHBondContact O-CD 3.47Å; G144-P146 VanDerWaalsContact C-N 3.32Å; P146-L148 VanDerWaalsContact C-N 3.33Å
147	A	95.4	Very high	96.6	Very high	77 Å²	77	62.1 Å²	62.1	64%	0.636	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-78.9	-16.1	175.8	0	0	0	0	0	113.1	G144 L145 K149	G144-A147 WeakPolarHBondContact O-CB 3.37Å; G144-A147 PolarHBondContact O-N 2.99Å; L145-A147 PolarHBondContact O-N 3.36Å; A147-K149 PolarHBondContact O-N 2.6Å; A147-K149 VanDerWaalsContact O-N 3.12Å
148	L	94.1	Very high	96.6	Very high	49 Å²	49	57.6 Å²	57.6	26%	0.257	30%	0.301	S	S	.	.			trans	-77.3	96.4	179.3	-57.3	177.7	0	0	0	110	L111 L121 L145 P146 W153	L111-L148 HydrophobicContact CD1-CD1 3.74Å; L111-L148 HydrophobicContact CD1-CD2 3.96Å; L121-L148 HydrophobicContact CD2-CD1 3.83Å; L145-L148 HydrophobicContact CD2-CD1 3.99Å; L145-L148 WeakPolarHBondContact O-CB 3.09Å; L145-L148 PolarHBondContact O-N 2.64Å; P146-L148 VanDerWaalsContact C-N 3.33Å; L148-W153 PolarHBondContact O-NE1 2.78Å
149	K	90.3	Very high	96.5	Very high	184 Å²	184	54.3 Å²	54.3	80%	0.8	29%	0.286	S	S	*	.			trans	-91.1	-35.5	-179.3	-64.3	-175.5	-179.5	-179.5	0	113.7	A147 R151	A147-K149 PolarHBondContact O-N 2.6Å; A147-K149 VanDerWaalsContact O-N 3.12Å; K149-R151 VanDerWaalsContact C-N 3.34Å; K149-R151 PolarHBondContact O-N 3.38Å
150	D	90.5	Very high	96.2	Very high	163 Å²	163	54.5 Å²	54.5	87%	0.872	29%	0.288	S	S	*	.	S	Bend	trans	-97.6	15.6	-170.5	-54.9	-48.2	0	0	0	113.2
151	R	93.8	Very high	95.8	Very high	34 Å²	34	57.4 Å²	57.4	13%	0.128	31%	0.305	C	S	.	.	S	Bend	trans	-135.1	130.7	-175.4	-174	177.4	-64.7	-88.4	10.5	110.5	L111 L116 A119 K149 W153	L111-R151 PolarHBondContact O-NH2 2.98Å; L111-R151 VanDerWaalsContact O-NH2 3.08Å; L116-R151 PolarHBondContact O-NH1 3.5Å; L116-R151 PolarHBondContact O-NH2 2.91Å; A119-R151 PolarHBondContact O-NH1 3.23Å; K149-R151 VanDerWaalsContact C-N 3.34Å; K149-R151 PolarHBondContact O-N 3.38Å; R151-W153 PolarHBondContact O-N 2.88Å
152	K	96.2	Very high	95.5	Very high	95 Å²	95	59.3 Å²	59.3	41%	0.413	31%	0.308	S	S	.	.			trans	-70.8	119.5	169.9	-172.1	169.2	-175.1	170.6	0	108.9	L121 W172 A176 S179	L121-K152 PolarHBondContact N-O 3.47Å; K152-W172 HydrophobicContact CG-CH2 4.14Å; K152-W172 HydrophobicContact CG-CZ2 4.26Å; K152-A176 HydrophobicContact CD-CB 4.16Å; K152-S179 PolarHBondContact NZ-OG 3.17Å
153	W	97.7	Very high	95.1	Very high	65 Å²	65	58.5 Å²	58.5	25%	0.246	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	157.8	176.8	69.9	-92.6	0	0	0	112.7	L121 L145 L148 R151 I155	L121-W153 HydrophobicContact CB-CB 3.87Å; L121-W153 HydrophobicContact CD2-CB 4.14Å; L121-W153 HydrophobicContact CG-CB 4.22Å; L121-W153 WeakPolarHBondContact O-CA 3.38Å; L121-W153 WeakPolarHBondContact O-CB 3.3Å; L145-W153 HydrophobicContact CB-CD2 4.17Å; L145-W153 HydrophobicContact CB-CE3 4.06Å; L145-W153 HydrophobicContact CB-CH2 3.62Å; L145-W153 HydrophobicContact CB-CZ2 3.71Å; L145-W153 HydrophobicContact CB-CZ3 3.8Å; L145-W153 HydrophobicContact CD1-CE3 3.82Å; L145-W153 HydrophobicContact CD1-CH2 4.26Å; L145-W153 HydrophobicContact CD1-CZ3 3.63Å; L145-W153 HydrophobicContact CG-CE3 4.48Å; L145-W153 HydrophobicContact CG-CZ3 4.36Å; L145-W153 PolarHBondContact O-NE1 3.41Å; L148-W153 PolarHBondContact O-NE1 2.78Å; R151-W153 PolarHBondContact O-N 2.88Å; W153-I155 HydrophobicContact CZ3-CB 4.26Å; W153-I155 HydrophobicContact CZ3-CG2 4.04Å
154	Q	98.1	Very high	94.9	Very high	71 Å²	71	62.6 Å²	62.6	33%	0.332	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	150.7	168.7	-178.9	61.2	-70.5	0	0	110.3	L121 V122 V123 F156 W172	L121-Q154 PolarHBondContact O-N 3.23Å; L121-Q154 VanDerWaalsContact O-N 3.16Å; V122-Q154 CarbonylContact C-O 3.6Å; V122-Q154 WeakPolarHBondContact CA-O 3.48Å; V123-Q154 PolarHBondContact N-O 3.27Å; Q154-F156 HydrophobicContact CB-CE2 3.79Å; Q154-F156 HydrophobicContact CB-CZ 4.22Å; Q154-F156 HydrophobicContact CG-CD2 4.01Å; Q154-F156 HydrophobicContact CG-CE1 4.14Å; Q154-F156 HydrophobicContact CG-CE2 3.26Å; Q154-F156 HydrophobicContact CG-CZ 3.33Å; Q154-W172 HydrophobicContact CB-CD2 3.82Å; Q154-W172 VanDerWaalsContact CB-CE2 3.49Å; Q154-W172 HydrophobicContact CB-CE3 3.95Å; Q154-W172 HydrophobicContact CB-CH2 3.53Å; Q154-W172 HydrophobicContact CB-CZ2 3.36Å; Q154-W172 HydrophobicContact CB-CZ3 3.84Å; Q154-W172 HydrophobicContact CG-CD2 4.17Å; Q154-W172 HydrophobicContact CG-CZ2 4.33Å
155	I	98.4	Very high	94.7	Very high	25 Å²	25	62.3 Å²	62.3	13%	0.128	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.3	174.9	-172	163.6	0	0	0	110.9	V123 A125 P136 V139 A140 L145 W153	V123-I155 HydrophobicContact CB-CB 4.11Å; V123-I155 HydrophobicContact CB-CD1 4.19Å; V123-I155 HydrophobicContact CB-CG1 3.91Å; V123-I155 HydrophobicContact CG1-CD1 3.79Å; V123-I155 HydrophobicContact CG1-CG1 3.93Å; V123-I155 CarbonylContact O-C 3.56Å; V123-I155 VanDerWaalsContact O-CA 3.3Å; V123-I155 WeakPolarHBondContact O-CA 3.35Å; A125-I155 HydrophobicContact CB-CD1 4.21Å; A125-I155 HydrophobicContact CB-CG1 4.3Å; P136-I155 HydrophobicContact CB-CD1 4.42Å; P136-I155 HydrophobicContact CB-CG1 4.36Å; P136-I155 HydrophobicContact CB-CG2 4.49Å; P136-I155 WeakPolarHBondContact O-CD1 3.33Å; V139-I155 HydrophobicContact CB-CD1 4.06Å; V139-I155 HydrophobicContact CG1-CD1 3.89Å; A140-I155 HydrophobicContact CB-CD1 4.1Å; A140-I155 HydrophobicContact CB-CG2 4.47Å; L145-I155 HydrophobicContact CD1-CB 4.32Å; L145-I155 HydrophobicContact CD1-CD1 4.09Å; W153-I155 HydrophobicContact CZ3-CB 4.26Å; W153-I155 HydrophobicContact CZ3-CG2 4.04Å
156	F	98.4	Very high	94.5	Very high	13 Å²	13	62.6 Å²	62.6	6%	0.057	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.9	179.2	-66.7	-86.6	0	0	0	111.5	V122 V123 F124 A125 Q154 T158 E168 A169 W172	V122-F156 HydrophobicContact CG1-CD2 3.87Å; V122-F156 HydrophobicContact CG1-CE2 4.11Å; V123-F156 PolarHBondContact O-N 2.87Å; F124-F156 HydrophobicContact CD1-CB 4.36Å; A125-F156 PolarHBondContact N-O 2.88Å; Q154-F156 HydrophobicContact CB-CE2 3.79Å; Q154-F156 HydrophobicContact CB-CZ 4.22Å; Q154-F156 HydrophobicContact CG-CD2 4.01Å; Q154-F156 HydrophobicContact CG-CE1 4.14Å; Q154-F156 HydrophobicContact CG-CE2 3.26Å; Q154-F156 HydrophobicContact CG-CZ 3.33Å; F156-T158 HydrophobicContact CB-CG2 4.11Å; F156-T158 PolarHBondContact O-N 3.15Å; F156-E168 HydrophobicContact CD1-CG 4.23Å; F156-E168 HydrophobicContact CE1-CG 3.95Å; F156-A169 HydrophobicContact CB-CB 3.83Å; F156-A169 HydrophobicContact CD1-CB 3.83Å; F156-A169 HydrophobicContact CD2-CB 3.36Å; F156-A169 HydrophobicContact CE1-CB 4.24Å; F156-A169 HydrophobicContact CE2-CB 3.8Å; F156-A169 HydrophobicContact CG-CB 3.37Å; F156-A169 HydrophobicContact CZ-CB 4.23Å; F156-W172 HydrophobicContact CE1-CB 4.33Å; F156-W172 HydrophobicContact CE2-CB 4.16Å; F156-W172 HydrophobicContact CE2-CD2 4.15Å; F156-W172 HydrophobicContact CE2-CE3 4.1Å; F156-W172 HydrophobicContact CE2-CG 4.18Å; F156-W172 HydrophobicContact CZ-CB 3.46Å; F156-W172 VanDerWaalsContact CZ-CB 3.46Å; F156-W172 HydrophobicContact CZ-CD2 4.04Å; F156-W172 HydrophobicContact CZ-CE3 4.43Å; F156-W172 AromaticContact CZ-CG 3.61Å; F156-W172 HydrophobicContact CZ-CG 3.61Å
157	K	97.9	Very high	94.2	Very high	120 Å²	120	63.4 Å²	63.4	52%	0.522	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	120.6	166.7	-172.3	-174.3	179.5	177.3	0	108	Q128 P136	Q128-K157 HydrophobicContact CB-CD 4.31Å; Q128-K157 VanDerWaalsContact CB-CE 3.48Å; Q128-K157 HydrophobicContact CB-CG 3.75Å; Q128-K157 HydrophobicContact CG-CB 4.48Å; Q128-K157 HydrophobicContact CG-CD 4.39Å; Q128-K157 HydrophobicContact CG-CG 3.43Å; Q128-K157 VanDerWaalsContact CG-CG 3.43Å; P136-K157 HydrophobicContact CG-CB 3.76Å; P136-K157 HydrophobicContact CG-CG 4.24Å
158	T	97.8	Very high	94.1	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.006	33%	0.325	C	S	.	.			trans	-133.5	151.4	-177.6	57.1	0	0	0	0	113	F124 A125 N126 K127 Q128 F156 T164 L166	F124-T158 HydrophobicContact CB-CG2 4.18Å; F124-T158 HydrophobicContact CD1-CG2 3.95Å; F124-T158 HydrophobicContact CD2-CG2 4.31Å; F124-T158 HydrophobicContact CE1-CG2 4.46Å; F124-T158 HydrophobicContact CG-CG2 3.89Å; A125-T158 PolarHBondContact O-N 2.8Å; A125-T158 PolarHBondContact O-OG1 2.95Å; N126-T158 CarbonylContact C-O 3.53Å; N126-T158 WeakPolarHBondContact CA-O 3.43Å; N126-T158 VanDerWaalsContact CA-OG1 3.25Å; N126-T158 WeakPolarHBondContact CA-OG1 3.47Å; N126-T158 WeakPolarHBondContact CB-OG1 3.46Å; N126-T158 PolarHBondContact OD1-O 3.17Å; K127-T158 PolarHBondContact N-O 3.43Å; Q128-T158 WeakPolarHBondContact CB-O 3.48Å; Q128-T158 VanDerWaalsContact CG-O 3.29Å; Q128-T158 WeakPolarHBondContact CG-O 3.5Å; Q128-T158 PolarHBondContact N-O 2.96Å; F156-T158 HydrophobicContact CB-CG2 4.11Å; F156-T158 PolarHBondContact O-N 3.15Å; T158-T164 VanDerWaalsContact CA-O 3.32Å; T158-T164 WeakPolarHBondContact CA-O 3.49Å; T158-L166 HydrophobicContact CG2-CD2 3.93Å
159	S	96.3	Very high	94.1	Very high	4 Å²	4	63.4 Å²	63.4	3%	0.028	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-132.5	107.1	163.4	173.2	0	0	0	0	108.1	D129 T161 K162 G163 T164	D129-S159 VanDerWaalsContact CG-OG 3.23Å; D129-S159 VanDerWaalsContact OD1-CB 3.26Å; D129-S159 WeakPolarHBondContact OD1-CB 3.29Å; D129-S159 PolarHBondContact OD1-OG 3.21Å; S159-T161 PolarHBondContact O-N 3.46Å; S159-T161 PolarHBondContact OG-OG1 2.97Å; S159-K162 PolarHBondContact O-N 3.49Å; S159-K162 WeakPolarHBondContact OG-CG 3.3Å; S159-K162 PolarHBondContact OG-N 2.89Å; S159-G163 CarbonylContact O-C 3.6Å; S159-G163 WeakPolarHBondContact O-CA 3.29Å; S159-G163 PolarHBondContact O-N 3.16Å; S159-T164 PolarHBondContact N-O 2.92Å; S159-T164 PolarHBondContact O-N 3.27Å
160	A	92.3	Very high	94.1	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.033	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-37.4	179.7	0	0	0	0	0	112.6	T32 I33 N126	T32-A160 HydrophobicContact CG2-CB 3.73Å; I33-A160 HydrophobicContact CD1-CB 4.34Å; I33-A160 HydrophobicContact CG1-CB 3.67Å; N126-A160 PolarHBondContact OD1-N 3.29Å
161	T	90.9	Very high	94.1	Very high	68 Å²	68	51.3 Å²	51.3	42%	0.417	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-31.8	-177.5	58.4	0	0	0	0	112.4	V42 D129 S159	V42-T161 VanDerWaalsContact CG2-O 3.3Å; V42-T161 WeakPolarHBondContact CG2-O 3.28Å; D129-T161 PolarHBondContact OD2-OG1 2.93Å; S159-T161 PolarHBondContact O-N 3.46Å; S159-T161 PolarHBondContact OG-OG1 2.97Å
162	K	90.9	Very high	94.2	Very high	139 Å²	139	52.6 Å²	52.6	60%	0.604	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-21.4	175.8	-55.7	-58.1	-178.3	-177.6	0	112.5	R36 D129 S159	R36-K162 PolarHBondContact NH2-O 3.18Å; D129-K162 HydrophobicContact CB-CG 4.48Å; S159-K162 PolarHBondContact O-N 3.49Å; S159-K162 WeakPolarHBondContact OG-CG 3.3Å; S159-K162 PolarHBondContact OG-N 2.89Å
163	G	89.2	Confident	93.9	Very high	16 Å²	16	48.1 Å²	48.1	17%	0.165	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	1	-171.4	0	0	0	0	0	114.1	S159 G165 L166	S159-G163 CarbonylContact O-C 3.6Å; S159-G163 WeakPolarHBondContact O-CA 3.29Å; S159-G163 PolarHBondContact O-N 3.16Å; G163-G165 PolarHBondContact O-N 3.37Å; G163-L166 PolarHBondContact O-N 3.2Å
164	T	93.4	Very high	93.5	Very high	89 Å²	89	45.3 Å²	45.3	55%	0.546	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-63.8	134.4	-177.1	-48.6	0	0	0	0	111.1	T158 S159 L166	T158-T164 VanDerWaalsContact CA-O 3.32Å; T158-T164 WeakPolarHBondContact CA-O 3.49Å; S159-T164 PolarHBondContact N-O 2.92Å; S159-T164 PolarHBondContact O-N 3.27Å; T164-L166 PolarHBondContact O-N 2.83Å
165	G	94.5	Very high	93.1	Very high	15 Å²	15	46.3 Å²	46.3	16%	0.155	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	-7.9	175.3	0	0	0	0	0	115.8	G163 A169	G163-G165 PolarHBondContact O-N 3.37Å; G165-A169 WeakPolarHBondContact O-CB 3.49Å; G165-A169 PolarHBondContact O-N 3.04Å
166	L	92	Very high	92.7	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-69	-44.4	-179.5	-60.4	-176.1	0	0	0	111.9	I33 R36 L37 F124 T158 G163 T164 A169 M170	I33-L166 HydrophobicContact CG1-CD2 4.09Å; I33-L166 HydrophobicContact CG2-CD2 4.34Å; R36-L166 HydrophobicContact CB-CD1 3.94Å; R36-L166 HydrophobicContact CG-CD1 3.61Å; L37-L166 HydrophobicContact CD2-CB 4.18Å; F124-L166 HydrophobicContact CD2-CD2 4.24Å; F124-L166 HydrophobicContact CE2-CD2 3.91Å; F124-L166 HydrophobicContact CZ-CD2 4.49Å; T158-L166 HydrophobicContact CG2-CD2 3.93Å; G163-L166 PolarHBondContact O-N 3.2Å; T164-L166 PolarHBondContact O-N 2.83Å; L166-A169 PolarHBondContact O-N 3.16Å; L166-M170 VanDerWaalsContact O-CG 3.31Å; L166-M170 WeakPolarHBondContact O-CG 3.45Å; L166-M170 PolarHBondContact O-N 2.72Å
167	D	90.4	Very high	92.2	Very high	95 Å²	95	44.8 Å²	44.8	51%	0.508	23%	0.23	S	C	.	.	H	α-helix	trans	-62.8	-49.8	179.1	-74.2	-44.4	0	0	0	111.9	Y58 A169 M170 E171	Y58-D167 WeakPolarHBondContact CE2-OD1 3.48Å; Y58-D167 PolarHBondContact OH-OD1 3.46Å; D167-A169 PolarHBondContact O-N 3.47Å; D167-M170 PolarHBondContact O-N 3.03Å; D167-M170 VanDerWaalsContact O-N 3.16Å; D167-E171 WeakPolarHBondContact O-CG 3.4Å; D167-E171 PolarHBondContact O-N 3.22Å
168	E	93.4	Very high	91.5	Very high	125 Å²	125	43 Å²	43	58%	0.584	22%	0.222	S	C	*	.	H	α-helix	trans	-54.3	-44	177.3	-173.8	-170.9	167.4	0	0	111.5	F156 E171 W172	F156-E168 HydrophobicContact CD1-CG 4.23Å; F156-E168 HydrophobicContact CE1-CG 3.95Å; E168-E171 PolarHBondContact O-N 3.31Å; E168-W172 PolarHBondContact O-N 2.69Å
169	A	94.6	Very high	90.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-69.5	-38.9	-179.2	0	0	0	0	0	113.1	F124 F156 G165 L166 D167 L173	F124-A169 HydrophobicContact CD1-CB 4.31Å; F124-A169 HydrophobicContact CE1-CB 3.37Å; F124-A169 HydrophobicContact CZ-CB 3.86Å; F156-A169 HydrophobicContact CB-CB 3.83Å; F156-A169 HydrophobicContact CD1-CB 3.83Å; F156-A169 HydrophobicContact CD2-CB 3.36Å; F156-A169 HydrophobicContact CE1-CB 4.24Å; F156-A169 HydrophobicContact CE2-CB 3.8Å; F156-A169 HydrophobicContact CG-CB 3.37Å; F156-A169 HydrophobicContact CZ-CB 4.23Å; G165-A169 WeakPolarHBondContact O-CB 3.49Å; G165-A169 PolarHBondContact O-N 3.04Å; L166-A169 PolarHBondContact O-N 3.16Å; D167-A169 PolarHBondContact O-N 3.47Å; A169-L173 WeakPolarHBondContact O-CB 3.26Å; A169-L173 PolarHBondContact O-N 2.73Å
170	M	89.9	Confident	89.5	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.025	26%	0.264	C	S	.	.	H	α-helix	trans	-68.6	-41	175.6	-69.7	-55.4	-64.1	0	0	111.2	I20 L37 Y58 F63 I89 L166 D167 W172 L173 V174	I20-M170 HydrophobicContact CD1-CE 4.5Å; L37-M170 HydrophobicContact CD1-CG 4.31Å; L37-M170 HydrophobicContact CD1-SD 4.01Å; L37-M170 HydrophobicContact CD2-CG 3.69Å; L37-M170 HydrophobicContact CD2-SD 4.48Å; Y58-M170 HydrophobicContact CD1-CB 4.07Å; Y58-M170 HydrophobicContact CE1-CB 3.7Å; Y58-M170 HydrophobicContact CE2-CB 4.21Å; Y58-M170 HydrophobicContact CG-CB 4.48Å; F63-M170 HydrophobicContact CD2-CE 4.32Å; F63-M170 HydrophobicContact CE2-CE 4.08Å; F63-M170 HydrophobicContact CZ-CE 4.29Å; I89-M170 HydrophobicContact CD1-SD 4.06Å; L166-M170 VanDerWaalsContact O-CG 3.31Å; L166-M170 WeakPolarHBondContact O-CG 3.45Å; L166-M170 PolarHBondContact O-N 2.72Å; D167-M170 PolarHBondContact O-N 3.03Å; D167-M170 VanDerWaalsContact O-N 3.16Å; M170-W172 PolarHBondContact O-N 2.86Å; M170-L173 HydrophobicContact CE-CD2 4.32Å; M170-L173 PolarHBondContact O-N 3.28Å; M170-L173 HydrophobicContact SD-CD2 4.27Å; M170-V174 VanDerWaalsContact O-CG2 3.24Å; M170-V174 WeakPolarHBondContact O-CG2 3.34Å; M170-V174 PolarHBondContact O-N 3.09Å
171	E	90.4	Very high	87.8	Confident	88 Å²	88	58.5 Å²	58.5	41%	0.411	30%	0.297	S	S	.	.	H	α-helix	trans	-57.1	-48.4	173.8	-72.5	-170.9	154.6	0	0	111.9	K59 D167 E168 L173 V174 D175	K59-E171 IonicContact NZ-OE1 3.38Å; K59-E171 PolarHBondContact NZ-OE1 2.85Å; D167-E171 WeakPolarHBondContact O-CG 3.4Å; D167-E171 PolarHBondContact O-N 3.22Å; E168-E171 PolarHBondContact O-N 3.31Å; E171-L173 VanDerWaalsContact C-N 3.32Å; E171-L173 PolarHBondContact O-N 2.78Å; E171-V174 PolarHBondContact O-N 3.25Å; E171-D175 PolarHBondContact O-N 2.63Å; E171-D175 VanDerWaalsContact O-N 3.08Å
172	W	94.6	Very high	87.6	Confident	62 Å²	62	58 Å²	58	24%	0.235	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-43.8	174.8	-179.9	91.4	0	0	0	112.2	I120 V122 K152 Q154 F156 E168 M170 V174 D175 A176	I120-W172 HydrophobicContact CG2-CH2 3.92Å; I120-W172 HydrophobicContact CG2-CZ3 3.82Å; V122-W172 HydrophobicContact CG2-CE3 3.97Å; V122-W172 HydrophobicContact CG2-CZ3 3.63Å; K152-W172 HydrophobicContact CG-CH2 4.14Å; K152-W172 HydrophobicContact CG-CZ2 4.26Å; Q154-W172 HydrophobicContact CB-CD2 3.82Å; Q154-W172 VanDerWaalsContact CB-CE2 3.49Å; Q154-W172 HydrophobicContact CB-CE3 3.95Å; Q154-W172 HydrophobicContact CB-CH2 3.53Å; Q154-W172 HydrophobicContact CB-CZ2 3.36Å; Q154-W172 HydrophobicContact CB-CZ3 3.84Å; Q154-W172 HydrophobicContact CG-CD2 4.17Å; Q154-W172 HydrophobicContact CG-CZ2 4.33Å; F156-W172 HydrophobicContact CE1-CB 4.33Å; F156-W172 HydrophobicContact CE2-CB 4.16Å; F156-W172 HydrophobicContact CE2-CD2 4.15Å; F156-W172 HydrophobicContact CE2-CE3 4.1Å; F156-W172 HydrophobicContact CE2-CG 4.18Å; F156-W172 HydrophobicContact CZ-CB 3.46Å; F156-W172 VanDerWaalsContact CZ-CB 3.46Å; F156-W172 HydrophobicContact CZ-CD2 4.04Å; F156-W172 HydrophobicContact CZ-CE3 4.43Å; F156-W172 AromaticContact CZ-CG 3.61Å; F156-W172 HydrophobicContact CZ-CG 3.61Å; E168-W172 PolarHBondContact O-N 2.69Å; M170-W172 PolarHBondContact O-N 2.86Å; W172-V174 VanDerWaalsContact C-N 3.34Å; W172-V174 PolarHBondContact O-N 3.44Å; W172-D175 PolarHBondContact O-N 3.31Å; W172-A176 HydrophobicContact CD2-CB 4.39Å; W172-A176 HydrophobicContact CE3-CB 4.18Å; W172-A176 HydrophobicContact CH2-CB 4.05Å; W172-A176 HydrophobicContact CZ2-CB 4.26Å; W172-A176 HydrophobicContact CZ3-CB 3.99Å; W172-A176 VanDerWaalsContact O-CB 3.24Å; W172-A176 WeakPolarHBondContact O-CB 3.39Å; W172-A176 PolarHBondContact O-N 3.49Å
173	L	91.8	Very high	87.4	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-42.9	-179.9	175.9	55.6	0	0	0	111.5	I20 A87 I89 I120 V122 A169 M170 E171 D175 A176 L177	I20-L173 HydrophobicContact CD1-CD2 3.59Å; A87-L173 HydrophobicContact CB-CD1 3.64Å; A87-L173 HydrophobicContact CB-CD2 4.48Å; I89-L173 HydrophobicContact CD1-CD2 4.24Å; I89-L173 HydrophobicContact CG1-CD2 4.3Å; I120-L173 HydrophobicContact CG2-CD1 4.14Å; V122-L173 HydrophobicContact CG2-CB 4.1Å; V122-L173 HydrophobicContact CG2-CD1 3.78Å; V122-L173 HydrophobicContact CG2-CD2 4.17Å; V122-L173 HydrophobicContact CG2-CG 4.23Å; A169-L173 WeakPolarHBondContact O-CB 3.26Å; A169-L173 PolarHBondContact O-N 2.73Å; M170-L173 HydrophobicContact CE-CD2 4.32Å; M170-L173 PolarHBondContact O-N 3.28Å; M170-L173 HydrophobicContact SD-CD2 4.27Å; E171-L173 VanDerWaalsContact C-N 3.32Å; E171-L173 PolarHBondContact O-N 2.78Å; L173-D175 VanDerWaalsContact C-N 3.34Å; L173-D175 PolarHBondContact O-N 3.35Å; L173-A176 PolarHBondContact O-N 2.75Å; L173-L177 HydrophobicContact CD1-CD1 3.92Å; L173-L177 HydrophobicContact CD1-CG 3.99Å; L173-L177 HydrophobicContact CG-CD1 3.96Å; L173-L177 HydrophobicContact CG-CG 4.48Å; L173-L177 WeakPolarHBondContact O-CB 3.29Å; L173-L177 VanDerWaalsContact O-CG 3.3Å; L173-L177 WeakPolarHBondContact O-CG 3.35Å; L173-L177 PolarHBondContact O-N 3.11Å
174	V	87.9	Confident	87.3	Confident	5 Å²	5	55.8 Å²	55.8	3%	0.03	28%	0.281	C	S	.	.	H	α-helix	trans	-58.3	-48.1	176.2	166.2	0	0	0	0	111	Y58 L61 F63 M170 E171 W172 A176 L177 K178	Y58-V174 HydrophobicContact CD1-CG2 4.42Å; L61-V174 HydrophobicContact CD1-CB 3.94Å; L61-V174 HydrophobicContact CD1-CG1 3.5Å; L61-V174 VanDerWaalsContact CD1-CG1 3.5Å; L61-V174 HydrophobicContact CD1-CG2 3.4Å; L61-V174 VanDerWaalsContact CD1-CG2 3.4Å; F63-V174 HydrophobicContact CZ-CG2 4.02Å; M170-V174 VanDerWaalsContact O-CG2 3.24Å; M170-V174 WeakPolarHBondContact O-CG2 3.34Å; M170-V174 PolarHBondContact O-N 3.09Å; E171-V174 PolarHBondContact O-N 3.25Å; W172-V174 VanDerWaalsContact C-N 3.34Å; W172-V174 PolarHBondContact O-N 3.44Å; V174-A176 VanDerWaalsContact C-N 3.34Å; V174-L177 PolarHBondContact O-N 3.28Å; V174-K178 HydrophobicContact CG1-CD 4.32Å; V174-K178 VanDerWaalsContact CG1-CE 3.49Å; V174-K178 WeakPolarHBondContact O-CG 3.32Å; V174-K178 PolarHBondContact O-N 3.22Å
175	D	89.3	Confident	87	Confident	92 Å²	92	53.9 Å²	53.9	49%	0.492	27%	0.266	S	S	.	.	H	α-helix	trans	-70.6	-34.1	-179.6	-68.9	-18.3	0	0	0	111.9	E171 W172 L173 K178 S179	E171-D175 PolarHBondContact O-N 2.63Å; E171-D175 VanDerWaalsContact O-N 3.08Å; W172-D175 PolarHBondContact O-N 3.31Å; L173-D175 VanDerWaalsContact C-N 3.34Å; L173-D175 PolarHBondContact O-N 3.35Å; D175-K178 PolarHBondContact O-N 3.24Å; D175-K178 IonicContact OD1-NZ 2.84Å; D175-K178 PolarHBondContact OD1-NZ 3.05Å; D175-K178 VanDerWaalsContact OD1-NZ 3.11Å; D175-S179 PolarHBondContact O-N 3.11Å; D175-S179 PolarHBondContact O-OG 3.47Å
176	A	91.7	Very high	86.5	Confident	2 Å²	2	56.3 Å²	56.3	2%	0.017	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-42.1	173.2	0	0	0	0	0	112	I120 K152 W172 L173 V174 S179	I120-A176 HydrophobicContact CD1-CB 3.88Å; I120-A176 WeakPolarHBondContact CD1-O 3.46Å; I120-A176 HydrophobicContact CG2-CB 4.37Å; K152-A176 HydrophobicContact CD-CB 4.16Å; W172-A176 HydrophobicContact CD2-CB 4.39Å; W172-A176 HydrophobicContact CE3-CB 4.18Å; W172-A176 HydrophobicContact CH2-CB 4.05Å; W172-A176 HydrophobicContact CZ2-CB 4.26Å; W172-A176 HydrophobicContact CZ3-CB 3.99Å; W172-A176 VanDerWaalsContact O-CB 3.24Å; W172-A176 WeakPolarHBondContact O-CB 3.39Å; W172-A176 PolarHBondContact O-N 3.49Å; L173-A176 PolarHBondContact O-N 2.75Å; V174-A176 VanDerWaalsContact C-N 3.34Å; A176-S179 PolarHBondContact O-N 3.31Å; A176-S179 PolarHBondContact O-OG 3.19Å
177	L	87.6	Confident	86.1	Confident	5 Å²	5	59.7 Å²	59.7	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-66.4	-39	175.7	-74.6	167.1	0	0	0	112.2	F63 D86 A87 I120 L173 V174 R180	F63-L177 HydrophobicContact CE1-CD1 4.16Å; D86-L177 HydrophobicContact CB-CD2 3.91Å; A87-L177 HydrophobicContact CB-CD2 4.37Å; I120-L177 HydrophobicContact CD1-CD2 3.86Å; I120-L177 HydrophobicContact CD1-CG 4.1Å; L173-L177 HydrophobicContact CD1-CD1 3.92Å; L173-L177 HydrophobicContact CD1-CG 3.99Å; L173-L177 HydrophobicContact CG-CD1 3.96Å; L173-L177 HydrophobicContact CG-CG 4.48Å; L173-L177 WeakPolarHBondContact O-CB 3.29Å; L173-L177 VanDerWaalsContact O-CG 3.3Å; L173-L177 WeakPolarHBondContact O-CG 3.35Å; L173-L177 PolarHBondContact O-N 3.11Å; V174-L177 PolarHBondContact O-N 3.28Å; L177-R180 PolarHBondContact O-N 3.06Å
178	K	83.1	Confident	85.8	Confident	81 Å²	81	57.2 Å²	57.2	35%	0.352	27%	0.273	S	S	.	.	H	α-helix	trans	-61.6	-43.3	174.3	-72.9	170.7	-171.3	161.6	0	112	F13 V174 D175 R180 Q181	F13-K178 HydrophobicContact CD2-CG 4.32Å; F13-K178 HydrophobicContact CE2-CG 3.77Å; V174-K178 HydrophobicContact CG1-CD 4.32Å; V174-K178 VanDerWaalsContact CG1-CE 3.49Å; V174-K178 WeakPolarHBondContact O-CG 3.32Å; V174-K178 PolarHBondContact O-N 3.22Å; D175-K178 PolarHBondContact O-N 3.24Å; D175-K178 IonicContact OD1-NZ 2.84Å; D175-K178 PolarHBondContact OD1-NZ 3.05Å; D175-K178 VanDerWaalsContact OD1-NZ 3.11Å; K178-R180 PolarHBondContact O-N 3.29Å; K178-R180 VanDerWaalsContact O-N 3.14Å; K178-Q181 PolarHBondContact O-N 3.03Å
179	S	80.1	Confident	85.2	Confident	75 Å²	75	52 Å²	52	52%	0.524	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-9.3	-179.4	66.7	0	0	0	0	115	K152 D175 A176	K152-S179 PolarHBondContact NZ-OG 3.17Å; D175-S179 PolarHBondContact O-N 3.11Å; D175-S179 PolarHBondContact O-OG 3.47Å; A176-S179 PolarHBondContact O-N 3.31Å; A176-S179 PolarHBondContact O-OG 3.19Å
180	R	72	Confident	84.5	Confident	102 Å²	102	56.3 Å²	56.3	39%	0.385	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-16.7	-178.8	-176.7	175.3	164.2	-156.3	-8.4	112.8	D86 K118 L177 K178	D86-R180 PolarHBondContact O-NH1 3.36Å; K118-R180 PolarHBondContact O-NE 3.33Å; K118-R180 PolarHBondContact O-NH1 3.35Å; K118-R180 PolarHBondContact O-NH2 3.45Å; K118-R180 VanDerWaalsContact O-NH2 3.1Å; L177-R180 PolarHBondContact O-N 3.06Å; K178-R180 PolarHBondContact O-N 3.29Å; K178-R180 VanDerWaalsContact O-N 3.14Å
181	Q	55.2	Low	84	Confident	158 Å²	158	61 Å²	61	74%	0.738	29%	0.292	S	S	*	.			trans	-82.4	0	172.3	-69.9	-173.8	-1.9	0	0	110.3	K178	K178-Q181 PolarHBondContact O-N 3.03Å

Retrieved 181 of 181 residues in 457.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).