X2JDP6_DROME Loading...

Cytokine-like nuclear factor N-PAC

AlphaFold DB (Q8T079), UniProt , Accession X2JDP6, Species DROME (Drosophila melanogaster, Fruit fly), Gene Ndf, Length 602 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	30	Very low	32.9	Very low	251 Å²	251	162.2 Å²	162.2	100%	1.236	89%	0.889	S	S	*	*				0	130.8	0	-61.3	-176.9	-157.7	0	0	109.7
2	S	34.6	Very low	32.4	Very low	123 Å²	123	155 Å²	155	86%	0.86	88%	0.88	S	S	*	*			trans	-153.1	143.1	155.1	-164.7	0	0	0	0	109.5
3	K	35.7	Very low	32.1	Very low	205 Å²	205	155.1 Å²	155.1	89%	0.891	88%	0.877	S	S	*	*			trans	-84.8	135.1	-165.8	-72	175.9	177.2	173.3	0	112.1
4	N	37	Very low	32.1	Very low	169 Å²	169	154.5 Å²	154.5	90%	0.904	88%	0.879	S	S	*	*			trans	-50.4	133.9	174.5	-78.4	-30.9	0	0	0	113
5	K	36.5	Very low	33	Very low	192 Å²	192	150.9 Å²	150.9	84%	0.835	86%	0.861	S	S	*	*			trans	-118.5	95.1	163.2	-157.1	174.2	-172.2	179.8	0	109.1	L7	K5-L7 PolarHBondContact O-N 3.48Å
6	K	31.7	Very low	34.5	Very low	202 Å²	202	149.8 Å²	149.8	88%	0.878	85%	0.846	S	S	*	*			trans	-74.1	121	-179.1	-142.1	175.7	-171	178.6	0	109.1
7	L	32.3	Very low	36.3	Very low	155 Å²	155	152.7 Å²	152.7	81%	0.812	85%	0.847	S	S	*	*			trans	-124.5	103.7	170.5	-103.8	149.5	0	0	0	107.7	K5	K5-L7 PolarHBondContact O-N 3.48Å
8	S	29.5	Very low	38.5	Very low	113 Å²	113	148.6 Å²	148.6	79%	0.79	82%	0.819	S	S	*	*			trans	-84.2	125.3	178.5	52.7	0	0	0	0	110.6
9	L	33.2	Very low	40.8	Very low	173 Å²	173	148.8 Å²	148.8	91%	0.906	82%	0.817	S	S	*	*			trans	-123.5	145.8	159.7	-78.9	168.6	0	0	0	109.1
10	S	31.5	Very low	43.1	Very low	122 Å²	122	142.2 Å²	142.2	85%	0.853	78%	0.78	S	S	*	*			trans	-92.9	131.3	-163	51.8	0	0	0	0	113.6
11	G	29.9	Very low	45.2	Very low	79 Å²	79	142 Å²	142	81%	0.814	77%	0.772	S	S	*	*	S	Bend	trans	106.1	118.4	156.6	0	0	0	0	0	116
12	G	26.6	Very low	47.9	Very low	76 Å²	76	133.6 Å²	133.6	78%	0.784	74%	0.736	S	S	*	*	S	Bend	trans	86.7	123	169.9	0	0	0	0	0	114.7
13	D	28.3	Very low	50.5	Low	156 Å²	156	132.7 Å²	132.7	83%	0.834	72%	0.716	S	S	*	*			trans	38	90.4	174.7	-89.2	-21	0	0	0	117.2	T15	D13-T15 PolarHBondContact O-N 3.08Å
14	T	32.1	Very low	53.3	Low	147 Å²	147	125.8 Å²	125.8	90%	0.902	69%	0.689	S	S	*	*			trans	-73	69.7	170.4	47.3	0	0	0	0	112.2	E16	T14-E16 PolarHBondContact O-N 3.49Å
15	T	46.2	Very low	56.1	Low	101 Å²	101	119.7 Å²	119.7	62%	0.62	66%	0.656	S	S	*	*			trans	-83	99.9	162.1	-45.1	0	0	0	0	107.5	D13 K17	D13-T15 PolarHBondContact O-N 3.08Å; T15-K17 PolarHBondContact O-N 3.45Å
16	E	57.5	Low	58.9	Low	133 Å²	133	110.6 Å²	110.6	62%	0.621	62%	0.617	S	S	*	*			trans	-60.4	108.2	176.1	-71.8	-169.5	144.2	0	0	109.8	T14 F18	T14-E16 PolarHBondContact O-N 3.49Å; E16-F18 HydrophobicContact CB-CE2 3.74Å; E16-F18 HydrophobicContact CB-CZ 3.97Å; E16-F18 VanDerWaalsContact O-CD2 3.25Å; E16-F18 WeakPolarHBondContact O-CD2 3.33Å; E16-F18 WeakPolarHBondContact O-CE2 3.18Å; E16-F18 PolarHBondContact O-N 2.61Å
17	K	63.9	Low	61.9	Low	199 Å²	199	101.1 Å²	101.1	87%	0.865	58%	0.575	S	S	*	*			trans	-77.5	100.4	175.6	-81.9	-170.1	173.2	-175	0	110.3	T15	T15-K17 PolarHBondContact O-N 3.45Å
18	F	77	Confident	64.8	Low	78 Å²	78	93.7 Å²	93.7	34%	0.342	54%	0.537	S	S	.	.			trans	-74.2	133.3	167.3	-64	-80.2	0	0	0	110.2	E16 Y20 P77 W82	E16-F18 HydrophobicContact CB-CE2 3.74Å; E16-F18 HydrophobicContact CB-CZ 3.97Å; E16-F18 VanDerWaalsContact O-CD2 3.25Å; E16-F18 WeakPolarHBondContact O-CD2 3.33Å; E16-F18 WeakPolarHBondContact O-CE2 3.18Å; E16-F18 PolarHBondContact O-N 2.61Å; F18-Y20 HydrophobicContact CB-CD1 4.44Å; F18-Y20 HydrophobicContact CB-CD2 4.4Å; F18-Y20 HydrophobicContact CB-CE1 3.82Å; F18-Y20 HydrophobicContact CB-CE2 3.79Å; F18-Y20 VanDerWaalsContact CB-CZ 3.46Å; F18-P77 HydrophobicContact CD1-CG 3.58Å; F18-P77 HydrophobicContact CD2-CG 4.27Å; F18-P77 HydrophobicContact CE1-CG 3.76Å; F18-P77 HydrophobicContact CE2-CG 4.42Å; F18-P77 HydrophobicContact CG-CG 3.88Å; F18-P77 HydrophobicContact CZ-CG 4.21Å; F18-W82 HydrophobicContact CE1-CH2 4.34Å; F18-W82 HydrophobicContact CE2-CH2 4.03Å; F18-W82 HydrophobicContact CE2-CZ2 4.46Å; F18-W82 AromaticContact CZ-CH2 3.57Å; F18-W82 HydrophobicContact CZ-CH2 3.57Å; F18-W82 HydrophobicContact CZ-CZ2 4.34Å; F18-W82 HydrophobicContact CZ-CZ3 4.3Å
19	I	81.4	Confident	67.8	Low	153 Å²	153	93 Å²	93	79%	0.785	52%	0.519	S	S	*	.			trans	-97.3	107.1	172.7	-60	175.6	0	0	0	107.2
20	Y	87.3	Confident	70.4	Confident	16 Å²	16	88.3 Å²	88.3	6%	0.063	49%	0.493	C	S	.	.			trans	-95.8	137.7	-177.5	-56.2	-76.2	0	0	0	113.6	F18 D24 I26 I40 K57 I75 K76 P77	F18-Y20 HydrophobicContact CB-CD1 4.44Å; F18-Y20 HydrophobicContact CB-CD2 4.4Å; F18-Y20 HydrophobicContact CB-CE1 3.82Å; F18-Y20 HydrophobicContact CB-CE2 3.79Å; F18-Y20 VanDerWaalsContact CB-CZ 3.46Å; Y20-D24 WeakPolarHBondContact CA-OD2 3.4Å; Y20-I26 HydrophobicContact CD1-CG2 3.84Å; Y20-I26 HydrophobicContact CE1-CG2 3.78Å; Y20-I40 HydrophobicContact CD1-CD1 3.98Å; Y20-I40 HydrophobicContact CD2-CD1 4.33Å; Y20-I40 HydrophobicContact CG-CD1 3.65Å; Y20-K57 PolarHBondContact O-NZ 2.6Å; Y20-I75 HydrophobicContact CD1-CG2 4.38Å; Y20-I75 HydrophobicContact CD2-CG2 4.2Å; Y20-I75 HydrophobicContact CE1-CG2 3.86Å; Y20-I75 HydrophobicContact CE2-CB 3.91Å; Y20-I75 HydrophobicContact CE2-CG2 3.65Å; Y20-I75 VanDerWaalsContact CZ-CG2 3.46Å; Y20-I75 VanDerWaalsContact OH-C 3.24Å; Y20-I75 PolarHBondContact OH-O 3.48Å; Y20-K76 VanDerWaalsContact OH-CA 3.24Å; Y20-K76 WeakPolarHBondContact OH-CA 3.49Å; Y20-K76 PolarHBondContact OH-N 3.09Å; Y20-P77 HydrophobicContact CE1-CG 4.29Å; Y20-P77 WeakPolarHBondContact OH-CD 3.49Å
21	K	86.7	Confident	72.8	Confident	140 Å²	140	92.8 Å²	92.8	61%	0.609	50%	0.498	S	S	*	.			trans	-112.8	162.8	179.4	-61.3	-172.8	177.8	-167.2	0	111.8	D24 I40	K21-D24 PolarHBondContact N-OD2 3.48Å; K21-D24 WeakPolarHBondContact O-CB 3.34Å; K21-D24 PolarHBondContact O-N 2.75Å; K21-I40 WeakPolarHBondContact O-CG2 3.43Å
22	P	87.4	Confident	75.1	Confident	74 Å²	74	92.9 Å²	92.9	48%	0.481	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	142.8	164.9	-24.9	35.3	0	0	0	111.5	D24 I40	P22-D24 VanDerWaalsContact C-N 3.25Å; P22-D24 PolarHBondContact O-N 3.33Å; P22-I40 CarbonylContact C-O 3.41Å; P22-I40 WeakPolarHBondContact CA-O 3.36Å
23	K	89.9	Confident	77.8	Confident	103 Å²	103	95.2 Å²	95.2	45%	0.448	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	6	-171.9	-52.6	-163.4	179.4	-164.6	0	117.2	L25 M39 I40 D113	K23-L25 PolarHBondContact O-N 3.47Å; K23-M39 HydrophobicContact CB-SD 4.18Å; K23-M39 HydrophobicContact CG-SD 4.29Å; K23-I40 PolarHBondContact N-O 2.9Å; K23-D113 WeakPolarHBondContact CE-OD1 3.09Å; K23-D113 IonicContact NZ-OD1 2.7Å; K23-D113 PolarHBondContact NZ-OD1 2.76Å; K23-D113 IonicContact NZ-OD2 2.67Å; K23-D113 PolarHBondContact NZ-OD2 3.26Å
24	D	93.1	Very high	80.7	Confident	61 Å²	61	90.2 Å²	90.2	33%	0.326	46%	0.463	S	S	.	.			trans	-68.8	126.5	168.9	-77.8	-21.9	0	0	0	110.5	Y20 K21 P22 I40	Y20-D24 WeakPolarHBondContact CA-OD2 3.4Å; K21-D24 PolarHBondContact N-OD2 3.48Å; K21-D24 WeakPolarHBondContact O-CB 3.34Å; K21-D24 PolarHBondContact O-N 2.75Å; P22-D24 VanDerWaalsContact C-N 3.25Å; P22-D24 PolarHBondContact O-N 3.33Å; D24-I40 PolarHBondContact O-N 2.96Å
25	L	95.7	Very high	83.5	Confident	41 Å²	41	84.3 Å²	84.3	22%	0.215	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131	173.4	-65.4	-176.6	0	0	0	111	K23 M39 F62 F78 I102 Y105 I106	K23-L25 PolarHBondContact O-N 3.47Å; L25-M39 HydrophobicContact CD2-CB 4.03Å; L25-M39 HydrophobicContact CD2-CG 4.31Å; L25-M39 HydrophobicContact CD2-SD 4.46Å; L25-F62 HydrophobicContact CD2-CE2 3.78Å; L25-F62 HydrophobicContact CD2-CZ 3.9Å; L25-F78 VanDerWaalsContact C-CB 3.45Å; L25-F78 HydrophobicContact CB-CB 3.79Å; L25-F78 HydrophobicContact CB-CD1 4.46Å; L25-F78 HydrophobicContact CB-CG 4.38Å; L25-F78 WeakPolarHBondContact O-CB 3.35Å; L25-F78 PolarHBondContact O-N 3.02Å; L25-I102 HydrophobicContact CB-CD1 4.38Å; L25-I102 HydrophobicContact CD1-CD1 4.24Å; L25-I102 HydrophobicContact CD1-CG1 4.19Å; L25-I102 HydrophobicContact CD2-CD1 3.98Å; L25-I102 HydrophobicContact CD2-CG1 4.21Å; L25-I102 HydrophobicContact CG-CD1 4.44Å; L25-Y105 HydrophobicContact CD1-CD1 4.32Å; L25-Y105 HydrophobicContact CD1-CE1 4.45Å; L25-Y105 HydrophobicContact CD2-CD1 3.87Å; L25-Y105 HydrophobicContact CD2-CE1 3.73Å; L25-Y105 HydrophobicContact CG-CE1 4.4Å; L25-I106 HydrophobicContact CD1-CD1 3.88Å; L25-I106 HydrophobicContact CD1-CG1 3.58Å
26	I	95.7	Very high	85.8	Confident	0 Å²	0	81.9 Å²	81.9	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	162.5	-170.7	56.1	157.7	0	0	0	113.4	Y20 A28 G38 I40 V59 I75 K76	Y20-I26 HydrophobicContact CD1-CG2 3.84Å; Y20-I26 HydrophobicContact CE1-CG2 3.78Å; I26-A28 HydrophobicContact CD1-CB 4.05Å; I26-G38 WeakPolarHBondContact CG1-O 3.48Å; I26-G38 PolarHBondContact N-O 3.29Å; I26-G38 PolarHBondContact O-N 2.93Å; I26-I40 HydrophobicContact CD1-CD1 3.97Å; I26-I40 HydrophobicContact CD1-CG1 3.64Å; I26-I40 HydrophobicContact CG1-CG1 4.21Å; I26-I40 HydrophobicContact CG2-CD1 3.89Å; I26-I40 HydrophobicContact CG2-CG1 4.38Å; I26-V59 HydrophobicContact CD1-CB 4.32Å; I26-V59 HydrophobicContact CD1-CG1 3.74Å; I26-V59 HydrophobicContact CD1-CG2 3.6Å; I26-V59 HydrophobicContact CG1-CG1 4.45Å; I26-I75 HydrophobicContact CB-CG2 3.75Å; I26-I75 HydrophobicContact CD1-CD1 4.32Å; I26-I75 HydrophobicContact CD1-CG1 4.43Å; I26-I75 HydrophobicContact CD1-CG2 3.56Å; I26-I75 HydrophobicContact CG1-CG2 4.27Å; I26-I75 HydrophobicContact CG2-CG2 3.63Å; I26-K76 CarbonylContact C-O 3.46Å; I26-K76 VanDerWaalsContact CA-O 3.26Å; I26-K76 WeakPolarHBondContact CA-O 3.39Å; I26-K76 WeakPolarHBondContact CB-O 3.36Å
27	W	94.7	Very high	87.6	Confident	3 Å²	3	75.5 Å²	75.5	1%	0.011	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.8	153.8	-64.5	97.8	0	0	0	108.8	P35 W36 I75 K76 F78 L86 A87 F95 M99	W27-P35 HydrophobicContact CB-CB 4.43Å; W27-P35 HydrophobicContact CE3-CB 4.34Å; W27-W36 WeakPolarHBondContact CA-O 3.29Å; W27-I75 WeakPolarHBondContact O-CA 3.32Å; W27-K76 HydrophobicContact CB-CB 4.41Å; W27-K76 PolarHBondContact N-O 3.28Å; W27-K76 PolarHBondContact O-N 3.21Å; W27-F78 HydrophobicContact CD2-CD2 4.15Å; W27-F78 AromaticContact CE2-CD2 3.58Å; W27-F78 AromaticContact CE2-CE2 3.79Å; W27-F78 HydrophobicContact CG-CD2 4.47Å; W27-F78 HydrophobicContact CH2-CE2 4.08Å; W27-F78 AromaticContact CZ2-CD2 3.85Å; W27-F78 HydrophobicContact CZ2-CD2 3.85Å; W27-F78 AromaticContact CZ2-CE2 3.53Å; W27-F78 HydrophobicContact CZ2-CE2 3.53Å; W27-F78 AromaticContact NE1-CD2 3.54Å; W27-F78 PolarHBondContact NE1-O 3.04Å; W27-L86 HydrophobicContact CB-CD1 3.72Å; W27-L86 HydrophobicContact CD2-CB 3.82Å; W27-L86 HydrophobicContact CD2-CD1 3.75Å; W27-L86 HydrophobicContact CD2-CG 4.42Å; W27-L86 HydrophobicContact CE3-CB 3.89Å; W27-L86 HydrophobicContact CE3-CD1 4.26Å; W27-L86 HydrophobicContact CG-CB 4.43Å; W27-L86 HydrophobicContact CG-CD1 3.47Å; W27-L86 VanDerWaalsContact CG-CD1 3.47Å; W27-L86 HydrophobicContact CH2-CB 4.05Å; W27-L86 HydrophobicContact CZ2-CB 3.99Å; W27-L86 HydrophobicContact CZ3-CB 4Å; W27-A87 HydrophobicContact CH2-CB 4.22Å; W27-A87 HydrophobicContact CZ2-CB 4.47Å; W27-F95 AromaticContact CH2-CZ 3.99Å; W27-F95 HydrophobicContact CH2-CZ 3.99Å; W27-F95 AromaticContact CZ3-CE2 3.93Å; W27-F95 HydrophobicContact CZ3-CE2 3.93Å; W27-F95 AromaticContact CZ3-CZ 3.74Å; W27-F95 HydrophobicContact CZ3-CZ 3.74Å; W27-M99 HydrophobicContact CH2-CE 4.31Å; W27-M99 HydrophobicContact CH2-SD 3.55Å; W27-M99 VanDerWaalsContact CH2-SD 3.55Å; W27-M99 HydrophobicContact CZ2-SD 4.33Å; W27-M99 HydrophobicContact CZ3-SD 4.26Å
28	A	94	Very high	89.1	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.6	173	0	0	0	0	0	111	I26 P35 W36 V59 F61 I70	I26-A28 HydrophobicContact CD1-CB 4.05Å; A28-P35 WeakPolarHBondContact O-CA 3.44Å; A28-W36 PolarHBondContact N-O 2.66Å; A28-W36 PolarHBondContact O-N 3.49Å; A28-V59 HydrophobicContact CB-CG1 3.92Å; A28-V59 HydrophobicContact CB-CG2 4.41Å; A28-F61 HydrophobicContact CB-CE1 3.53Å; A28-F61 HydrophobicContact CB-CZ 3.66Å; A28-I70 HydrophobicContact CB-CG1 4.18Å; A28-I70 HydrophobicContact CB-CG2 4.26Å
29	K	91.8	Very high	90	Very high	98 Å²	98	62.4 Å²	62.4	43%	0.426	32%	0.32	S	S	.	.			trans	-115.4	108.2	178	-172.6	-174.1	178.7	-178.5	0	111.7	P35 N74	K29-P35 HydrophobicContact CB-CB 4.47Å; K29-P35 HydrophobicContact CB-CG 4.21Å; K29-P35 HydrophobicContact CD-CG 4.22Å; K29-P35 HydrophobicContact CG-CG 4.19Å; K29-N74 HydrophobicContact CB-CB 4.23Å; K29-N74 PolarHBondContact N-O 3.42Å; K29-N74 WeakPolarHBondContact O-CB 3.49Å
30	M	88.7	Confident	90.6	Very high	74 Å²	74	55.3 Å²	55.3	37%	0.365	28%	0.284	S	S	.	.			trans	-73.9	150.8	169.2	-65.2	178.2	77.9	0	0	111.4	G32 F33 F61 A68 I70	M30-G32 PolarHBondContact O-N 2.83Å; M30-G32 VanDerWaalsContact O-N 3.13Å; M30-F33 HydrophobicContact CB-CB 4.19Å; M30-F33 HydrophobicContact CB-CD2 3.77Å; M30-F33 HydrophobicContact CB-CG 4.28Å; M30-F33 PolarHBondContact O-N 3.19Å; M30-F61 HydrophobicContact CG-CZ 4.06Å; M30-F61 HydrophobicContact SD-CE2 4.49Å; M30-F61 HydrophobicContact SD-CZ 4.22Å; M30-A68 HydrophobicContact CE-CB 4.44Å; M30-I70 HydrophobicContact CG-CD1 3.65Å
31	K	80.6	Confident	90.8	Very high	216 Å²	216	55.1 Å²	55.1	94%	0.939	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	116.7	178.7	-175	178.4	179.8	179.7	0	110.7
32	G	79.2	Confident	90.9	Very high	82 Å²	82	53.3 Å²	53.3	85%	0.845	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-1.6	-178.5	0	0	0	0	0	115.3	M30	M30-G32 PolarHBondContact O-N 2.83Å; M30-G32 VanDerWaalsContact O-N 3.13Å
33	F	83.7	Confident	90.7	Very high	124 Å²	124	51.2 Å²	51.2	54%	0.544	27%	0.268	S	S	.	.	S	Bend	trans	-110.7	161.6	177.7	-65.7	-94.2	0	0	0	111.7	M30	M30-F33 HydrophobicContact CB-CB 4.19Å; M30-F33 HydrophobicContact CB-CD2 3.77Å; M30-F33 HydrophobicContact CB-CG 4.28Å; M30-F33 PolarHBondContact O-N 3.19Å
34	T	88.1	Confident	90.2	Very high	51 Å²	51	46.4 Å²	46.4	31%	0.313	25%	0.247	S	C	.	.			trans	-69.4	154.5	164.9	51.6	0	0	0	0	109.9	V89	T34-V89 HydrophobicContact CG2-CG1 3.85Å
35	P	91.1	Very high	89.3	Confident	24 Å²	24	49.4 Å²	49.4	16%	0.156	26%	0.262	C	S	.	.			trans	-53.5	143.1	167.6	-25.4	36.7	0	0	0	111.6	W27 A28 K29 L86	W27-P35 HydrophobicContact CB-CB 4.43Å; W27-P35 HydrophobicContact CE3-CB 4.34Å; A28-P35 WeakPolarHBondContact O-CA 3.44Å; K29-P35 HydrophobicContact CB-CB 4.47Å; K29-P35 HydrophobicContact CB-CG 4.21Å; K29-P35 HydrophobicContact CD-CG 4.22Å; K29-P35 HydrophobicContact CG-CG 4.19Å; P35-L86 HydrophobicContact CB-CD1 3.89Å; P35-L86 HydrophobicContact CB-CD2 4.29Å; P35-L86 HydrophobicContact CG-CD1 4.25Å; P35-L86 HydrophobicContact CG-CD2 3.94Å
36	W	94.2	Very high	88.1	Confident	49 Å²	49	51.3 Å²	51.3	19%	0.186	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	145	-174.5	-157.6	-87	0	0	0	109.8	W27 A28 F61 F62 A94 F95 A98	W27-W36 WeakPolarHBondContact CA-O 3.29Å; A28-W36 PolarHBondContact N-O 2.66Å; A28-W36 PolarHBondContact O-N 3.49Å; W36-F61 HydrophobicContact CB-CD1 3.93Å; W36-F61 HydrophobicContact CB-CE1 4.15Å; W36-F61 AromaticContact CD1-CD1 3.81Å; W36-F61 HydrophobicContact CG-CD1 4.14Å; W36-F62 PolarHBondContact NE1-O 3.27Å; W36-A94 HydrophobicContact CH2-CB 4.12Å; W36-A94 HydrophobicContact CZ2-CB 4.44Å; W36-A94 WeakPolarHBondContact CZ2-O 3.5Å; W36-F95 HydrophobicContact CD2-CD2 4.11Å; W36-F95 AromaticContact CE3-CD2 3.7Å; W36-F95 HydrophobicContact CE3-CD2 3.7Å; W36-F95 HydrophobicContact CE3-CE2 4.41Å; W36-F95 HydrophobicContact CH2-CB 3.76Å; W36-F95 HydrophobicContact CH2-CD2 4.14Å; W36-F95 HydrophobicContact CH2-CG 4.47Å; W36-F95 HydrophobicContact CZ2-CB 4.41Å; W36-F95 HydrophobicContact CZ3-CB 3.94Å; W36-F95 AromaticContact CZ3-CD2 3.72Å; W36-F95 HydrophobicContact CZ3-CD2 3.72Å; W36-F95 HydrophobicContact CZ3-CG 4.34Å; W36-A98 HydrophobicContact CZ2-CB 3.7Å; W36-A98 VanDerWaalsContact NE1-CB 3.34Å
37	P	94.9	Very high	87.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	137.4	176	27.4	-35.9	0	0	0	111.4	F62 F78 A98 M99 I102	P37-F62 HydrophobicContact CB-CD2 4.45Å; P37-F62 HydrophobicContact CG-CB 4.44Å; P37-F62 PolarHBondContact O-N 3.1Å; P37-F62 VanDerWaalsContact O-N 3.17Å; P37-F78 HydrophobicContact CB-CD2 4.39Å; P37-F78 HydrophobicContact CB-CE2 4.01Å; P37-A98 HydrophobicContact CG-CB 3.86Å; P37-M99 HydrophobicContact CG-SD 4.23Å; P37-I102 HydrophobicContact CB-CB 4.3Å; P37-I102 HydrophobicContact CB-CD1 3.82Å; P37-I102 HydrophobicContact CB-CG2 3.94Å; P37-I102 HydrophobicContact CG-CG2 4.43Å
38	G	95.5	Very high	86	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	176	178.8	0	0	0	0	0	113	I26 F60	I26-G38 WeakPolarHBondContact CG1-O 3.48Å; I26-G38 PolarHBondContact N-O 3.29Å; I26-G38 PolarHBondContact O-N 2.93Å; G38-F60 CarbonylContact C-O 3.49Å; G38-F60 WeakPolarHBondContact CA-O 3.24Å
39	M	95.9	Very high	84.5	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.1	176.9	177.7	166.9	63.7	0	0	109.1	K23 L25 V41 V59 F60 F62 Y105 V112 V116	K23-M39 HydrophobicContact CB-SD 4.18Å; K23-M39 HydrophobicContact CG-SD 4.29Å; L25-M39 HydrophobicContact CD2-CB 4.03Å; L25-M39 HydrophobicContact CD2-CG 4.31Å; L25-M39 HydrophobicContact CD2-SD 4.46Å; M39-V41 HydrophobicContact CE-CG1 3.94Å; M39-V41 HydrophobicContact CG-CG1 4.15Å; M39-V59 CarbonylContact O-C 3.55Å; M39-V59 WeakPolarHBondContact O-CA 3.42Å; M39-F60 PolarHBondContact N-O 3.01Å; M39-F60 PolarHBondContact O-N 3.14Å; M39-F62 HydrophobicContact CB-CE2 3.9Å; M39-F62 HydrophobicContact CB-CZ 4.09Å; M39-Y105 HydrophobicContact CE-CE2 4.27Å; M39-Y105 HydrophobicContact SD-CE1 3.82Å; M39-Y105 HydrophobicContact SD-CE2 4.3Å; M39-Y105 VanDerWaalsContact SD-CZ 3.5Å; M39-Y105 PolarHBondContact SD-OH 3Å; M39-V112 HydrophobicContact CE-CG1 4.42Å; M39-V116 HydrophobicContact CE-CG2 4.18Å
40	I	94.1	Very high	83.4	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.026	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	130.8	172.6	-71.9	167.9	0	0	0	109.3	Y20 K21 P22 K23 D24 I26 K57 V59 I75	Y20-I40 HydrophobicContact CD1-CD1 3.98Å; Y20-I40 HydrophobicContact CD2-CD1 4.33Å; Y20-I40 HydrophobicContact CG-CD1 3.65Å; K21-I40 WeakPolarHBondContact O-CG2 3.43Å; P22-I40 CarbonylContact C-O 3.41Å; P22-I40 WeakPolarHBondContact CA-O 3.36Å; K23-I40 PolarHBondContact N-O 2.9Å; D24-I40 PolarHBondContact O-N 2.96Å; I26-I40 HydrophobicContact CD1-CD1 3.97Å; I26-I40 HydrophobicContact CD1-CG1 3.64Å; I26-I40 HydrophobicContact CG1-CG1 4.21Å; I26-I40 HydrophobicContact CG2-CD1 3.89Å; I26-I40 HydrophobicContact CG2-CG1 4.38Å; I40-K57 HydrophobicContact CD1-CB 4.47Å; I40-K57 HydrophobicContact CD1-CG 4.49Å; I40-V59 HydrophobicContact CG1-CG2 4.3Å; I40-I75 HydrophobicContact CD1-CD1 4.45Å; I40-I75 HydrophobicContact CD1-CG2 4.44Å
41	V	92.7	Very high	82	Confident	12 Å²	12	66.7 Å²	66.7	7%	0.073	36%	0.36	C	S	.	.			trans	-137.1	160.9	-173.2	-64.3	0	0	0	0	109.2	M39 C58 F60 F67 V116	M39-V41 HydrophobicContact CE-CG1 3.94Å; M39-V41 HydrophobicContact CG-CG1 4.15Å; V41-C58 HydrophobicContact CG2-CB 4.47Å; V41-C58 PolarHBondContact N-O 2.62Å; V41-C58 WeakPolarHBondContact O-CB 3.31Å; V41-F60 HydrophobicContact CG1-CB 3.85Å; V41-F60 HydrophobicContact CG2-CB 4.04Å; V41-F67 HydrophobicContact CG2-CD1 3.74Å; V41-F67 HydrophobicContact CG2-CE1 3.9Å; V41-V116 HydrophobicContact CB-CG1 4.17Å; V41-V116 HydrophobicContact CG1-CG1 3.75Å; V41-V116 HydrophobicContact CG1-CG2 4.49Å
42	D	87.5	Confident	81.3	Confident	101 Å²	101	64.9 Å²	64.9	54%	0.54	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-69	145.7	165.9	-66.4	-55.4	0	0	0	109.4	C120	D42-C120 PolarHBondContact O-SG 2.63Å
43	P	84.1	Confident	80.9	Confident	31 Å²	31	69.1 Å²	69.1	20%	0.201	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-66	132	-175.7	27.2	-35.2	0	0	0	111	L47 L48 C58 W69	P43-L47 HydrophobicContact CB-CB 4.32Å; P43-L48 HydrophobicContact CB-CD2 4.17Å; P43-L48 HydrophobicContact CG-CD2 3.6Å; P43-L48 HydrophobicContact CG-CG 4.44Å; P43-C58 HydrophobicContact CB-CB 4.19Å; P43-W69 HydrophobicContact CB-CH2 3.82Å; P43-W69 HydrophobicContact CB-CZ2 3.6Å; P43-W69 HydrophobicContact CG-CH2 3.92Å; P43-W69 HydrophobicContact CG-CZ2 4.09Å
44	P	79.9	Confident	80.4	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.006	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-64	157.9	170.9	27.9	-33.4	0	0	0	111.9	D46 L47 L48 F67 S119	P44-D46 WeakPolarHBondContact CB-OD1 3.41Å; P44-D46 VanDerWaalsContact CG-OD1 3.22Å; P44-D46 WeakPolarHBondContact CG-OD1 3.49Å; P44-D46 PolarHBondContact O-N 3.37Å; P44-D46 VanDerWaalsContact O-N 3.13Å; P44-L47 HydrophobicContact CG-CB 4.13Å; P44-L47 HydrophobicContact CG-CD1 4.43Å; P44-L47 PolarHBondContact O-N 2.83Å; P44-L48 PolarHBondContact O-N 3.23Å; P44-F67 HydrophobicContact CG-CB 4.03Å; P44-F67 HydrophobicContact CG-CD1 3.88Å; P44-F67 HydrophobicContact CG-CD2 3.9Å; P44-F67 HydrophobicContact CG-CE1 4.29Å; P44-F67 HydrophobicContact CG-CE2 4.33Å; P44-F67 HydrophobicContact CG-CG 3.67Å; P44-S119 WeakPolarHBondContact CA-O 3.28Å; P44-S119 WeakPolarHBondContact CB-O 3.43Å
45	L	74.6	Confident	80.2	Confident	124 Å²	124	70.4 Å²	70.4	65%	0.649	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.4	-168.7	-71.5	169.3	0	0	0	113.1	L48	L45-L48 HydrophobicContact CD2-CD1 4.01Å
46	D	70	Confident	80	Confident	81 Å²	81	70.2 Å²	70.2	43%	0.433	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-42.1	173.6	63.7	-32.7	0	0	0	112.5	P44 L48 S49	P44-D46 WeakPolarHBondContact CB-OD1 3.41Å; P44-D46 VanDerWaalsContact CG-OD1 3.22Å; P44-D46 WeakPolarHBondContact CG-OD1 3.49Å; P44-D46 PolarHBondContact O-N 3.37Å; P44-D46 VanDerWaalsContact O-N 3.13Å; D46-L48 VanDerWaalsContact C-N 3.31Å; D46-L48 PolarHBondContact O-N 3.11Å; D46-S49 PolarHBondContact O-N 2.75Å; D46-S49 PolarHBondContact O-OG 3.32Å
47	L	76.3	Confident	79.8	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.01	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-71.7	-20.2	179.6	-111.9	74.2	0	0	0	114	P43 P44 S49 Q50 F67 W69	P43-L47 HydrophobicContact CB-CB 4.32Å; P44-L47 HydrophobicContact CG-CB 4.13Å; P44-L47 HydrophobicContact CG-CD1 4.43Å; P44-L47 PolarHBondContact O-N 2.83Å; L47-S49 PolarHBondContact O-N 2.87Å; L47-Q50 PolarHBondContact O-N 3.4Å; L47-F67 HydrophobicContact CD1-CB 4.38Å; L47-F67 HydrophobicContact CD2-CB 3.99Å; L47-W69 PolarHBondContact O-NE1 3.16Å
48	L	69.9	Low	79.7	Confident	107 Å²	107	70.8 Å²	70.8	56%	0.56	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-61.5	-26.9	174.1	-70.7	176.3	0	0	0	112.8	P43 P44 L45 D46 Q50	P43-L48 HydrophobicContact CB-CD2 4.17Å; P43-L48 HydrophobicContact CG-CD2 3.6Å; P43-L48 HydrophobicContact CG-CG 4.44Å; P44-L48 PolarHBondContact O-N 3.23Å; L45-L48 HydrophobicContact CD2-CD1 4.01Å; D46-L48 VanDerWaalsContact C-N 3.31Å; D46-L48 PolarHBondContact O-N 3.11Å; L48-Q50 VanDerWaalsContact C-N 3.27Å; L48-Q50 PolarHBondContact O-N 3.39Å
49	S	62.5	Low	79.6	Confident	106 Å²	106	70.8 Å²	70.8	74%	0.741	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-73.6	-15	177.6	70.2	0	0	0	0	114	D46 L47	D46-S49 PolarHBondContact O-N 2.75Å; D46-S49 PolarHBondContact O-OG 3.32Å; L47-S49 PolarHBondContact O-N 2.87Å
50	Q	68.1	Low	79.5	Confident	85 Å²	85	70.8 Å²	70.8	40%	0.397	36%	0.363	S	S	.	.	S	Bend	trans	-84.5	142	-174.6	-61.6	-173	-1.1	0	0	112.4	L47 L48 R52	L47-Q50 PolarHBondContact O-N 3.4Å; L48-Q50 VanDerWaalsContact C-N 3.27Å; L48-Q50 PolarHBondContact O-N 3.39Å; Q50-R52 PolarHBondContact O-N 3.47Å
51	Q	58.6	Low	79.6	Confident	199 Å²	199	70.9 Å²	70.9	93%	0.93	36%	0.363	S	S	*	.			trans	-69.8	94.8	-176.7	-160.9	178.2	22.2	0	0	111.8	R53	Q51-R53 PolarHBondContact O-N 3.46Å
52	R	66.8	Low	79.6	Confident	178 Å²	178	70.3 Å²	70.3	67%	0.672	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-65.6	127.7	-177.2	-169.3	-176.3	69.1	-165.9	-0.5	112.4	Q50 T56 W69	Q50-R52 PolarHBondContact O-N 3.47Å; R52-T56 WeakPolarHBondContact CG-OG1 3.24Å; R52-W69 HydrophobicContact CG-CD2 4.43Å; R52-W69 HydrophobicContact CG-CE3 4.2Å; R52-W69 HydrophobicContact CG-CH2 4.4Å; R52-W69 HydrophobicContact CG-CZ3 4.19Å
53	R	70.2	Confident	79.7	Confident	170 Å²	170	66.7 Å²	66.7	64%	0.642	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-80.1	149.1	167.3	-64.8	-179.1	-179.8	-177.7	-1.5	111.1	Q51 T56 E71	Q51-R53 PolarHBondContact O-N 3.46Å; R53-T56 HydrophobicContact CB-CG2 3.92Å; R53-T56 PolarHBondContact O-OG1 3.35Å; R53-E71 IonicContact NH1-OE1 2.81Å; R53-E71 PolarHBondContact NH1-OE1 3.34Å
54	A	73.2	Confident	79.9	Confident	87 Å²	87	68 Å²	68	72%	0.719	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	147.4	170.1	0	0	0	0	0	111.2
55	N	84.2	Confident	80.3	Confident	115 Å²	115	71.4 Å²	71.4	62%	0.615	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	43.3	-178.2	-51	-9.4	0	0	0	114.1	E71 E72	N55-E71 CarbonylContact O-C 3.54Å; N55-E71 WeakPolarHBondContact O-CA 3.48Å; N55-E72 PolarHBondContact O-N 3.29Å
56	T	87.5	Confident	80.9	Confident	20 Å²	20	67.7 Å²	67.7	12%	0.123	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	147.7	170.8	55.6	0	0	0	0	111.9	R52 R53 I70 E71	R52-T56 WeakPolarHBondContact CG-OG1 3.24Å; R53-T56 HydrophobicContact CB-CG2 3.92Å; R53-T56 PolarHBondContact O-OG1 3.35Å; T56-I70 CarbonylContact C-O 3.58Å; T56-I70 VanDerWaalsContact CA-O 3.25Å; T56-I70 WeakPolarHBondContact CA-O 3.31Å; T56-E71 HydrophobicContact CG2-CB 4.45Å; T56-E71 HydrophobicContact CG2-CG 3.82Å
57	K	90.4	Very high	81.9	Confident	58 Å²	58	64.8 Å²	64.8	25%	0.252	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.9	172.5	-64.4	-77.4	175.5	162.3	0	109.1	Y20 I40 W69 I70 E72 I75	Y20-K57 PolarHBondContact O-NZ 2.6Å; I40-K57 HydrophobicContact CD1-CB 4.47Å; I40-K57 HydrophobicContact CD1-CG 4.49Å; K57-W69 WeakPolarHBondContact O-CA 3.22Å; K57-I70 PolarHBondContact N-O 3.28Å; K57-I70 PolarHBondContact O-N 3.16Å; K57-E72 WeakPolarHBondContact CE-OE1 3.45Å; K57-E72 HydrophobicContact CG-CG 3.98Å; K57-E72 IonicContact NZ-OE1 2.65Å; K57-I75 HydrophobicContact CB-CD1 3.87Å; K57-I75 HydrophobicContact CG-CD1 4.13Å
58	C	91.9	Very high	82.5	Confident	4 Å²	4	65.3 Å²	65.3	3%	0.027	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	133.3	168	-174.4	0	0	0	0	109	V41 P43 W69	V41-C58 HydrophobicContact CG2-CB 4.47Å; V41-C58 PolarHBondContact N-O 2.62Å; V41-C58 WeakPolarHBondContact O-CB 3.31Å; P43-C58 HydrophobicContact CB-CB 4.19Å; C58-W69 HydrophobicContact CB-CE3 4.22Å; C58-W69 HydrophobicContact CB-CH2 4.26Å; C58-W69 HydrophobicContact CB-CZ3 4.05Å
59	V	93.8	Very high	83.5	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	124.6	-177	179.2	0	0	0	0	109.4	I26 A28 M39 I40 F61 F67 A68 I70 I75	I26-V59 HydrophobicContact CD1-CB 4.32Å; I26-V59 HydrophobicContact CD1-CG1 3.74Å; I26-V59 HydrophobicContact CD1-CG2 3.6Å; I26-V59 HydrophobicContact CG1-CG1 4.45Å; A28-V59 HydrophobicContact CB-CG1 3.92Å; A28-V59 HydrophobicContact CB-CG2 4.41Å; M39-V59 CarbonylContact O-C 3.55Å; M39-V59 WeakPolarHBondContact O-CA 3.42Å; I40-V59 HydrophobicContact CG1-CG2 4.3Å; V59-F61 HydrophobicContact CB-CE2 3.97Å; V59-F61 HydrophobicContact CB-CZ 4.3Å; V59-F61 HydrophobicContact CG1-CD2 4.12Å; V59-F61 HydrophobicContact CG1-CE1 4.34Å; V59-F61 HydrophobicContact CG1-CE2 3.82Å; V59-F61 HydrophobicContact CG1-CG 4.48Å; V59-F61 HydrophobicContact CG1-CZ 3.95Å; V59-F67 CarbonylContact O-C 3.51Å; V59-F67 VanDerWaalsContact O-CA 3.29Å; V59-F67 WeakPolarHBondContact O-CA 3.45Å; V59-A68 PolarHBondContact N-O 2.97Å; V59-A68 PolarHBondContact O-N 3.08Å; V59-I70 HydrophobicContact CB-CG1 4Å; V59-I70 HydrophobicContact CG2-CB 3.95Å; V59-I70 HydrophobicContact CG2-CG1 3.73Å; V59-I75 HydrophobicContact CG2-CD1 4.26Å
60	F	94.4	Very high	84.9	Confident	1 Å²	1	58.3 Å²	58.3	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	132.2	162.6	172.8	-94.8	0	0	0	109.2	G38 M39 V41 F62 R65 N66 F67 V112 V116	G38-F60 CarbonylContact C-O 3.49Å; G38-F60 WeakPolarHBondContact CA-O 3.24Å; M39-F60 PolarHBondContact N-O 3.01Å; M39-F60 PolarHBondContact O-N 3.14Å; V41-F60 HydrophobicContact CG1-CB 3.85Å; V41-F60 HydrophobicContact CG2-CB 4.04Å; F60-F62 HydrophobicContact CE1-CD1 4.02Å; F60-F62 HydrophobicContact CE1-CE1 4.05Å; F60-F62 HydrophobicContact CE1-CG 4.41Å; F60-F62 HydrophobicContact CE1-CZ 4.48Å; F60-R65 HydrophobicContact CE2-CB 3.96Å; F60-R65 HydrophobicContact CE2-CG 4.46Å; F60-R65 HydrophobicContact CZ-CB 4.01Å; F60-R65 HydrophobicContact CZ-CG 4Å; F60-N66 CarbonylContact C-O 3.55Å; F60-N66 WeakPolarHBondContact CA-O 3.33Å; F60-F67 HydrophobicContact CB-CD1 4.15Å; F60-F67 HydrophobicContact CB-CE1 4.06Å; F60-F67 HydrophobicContact CD2-CD1 4.32Å; F60-F67 AromaticContact CD2-CE1 3.81Å; F60-F67 HydrophobicContact CD2-CE1 3.81Å; F60-F67 HydrophobicContact CD2-CE2 4.27Å; F60-F67 AromaticContact CD2-CZ 3.77Å; F60-F67 HydrophobicContact CD2-CZ 3.77Å; F60-F67 HydrophobicContact CE2-CZ 4.41Å; F60-F67 HydrophobicContact CG-CE1 4.41Å; F60-V112 HydrophobicContact CD1-CG1 4.33Å; F60-V112 HydrophobicContact CE1-CG1 3.54Å; F60-V112 HydrophobicContact CZ-CG1 3.75Å; F60-V116 HydrophobicContact CD1-CG2 4.49Å; F60-V116 HydrophobicContact CD2-CG2 3.87Å; F60-V116 HydrophobicContact CE2-CG2 4.06Å; F60-V116 HydrophobicContact CG-CG2 4.08Å; F60-V116 HydrophobicContact CZ-CG2 4.46Å
61	F	94.4	Very high	86	Confident	7 Å²	7	57.8 Å²	57.8	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.7	179.1	-68.7	-96.7	0	0	0	111.7	A28 M30 W36 V59 S64 R65 N66 A68 I70	A28-F61 HydrophobicContact CB-CE1 3.53Å; A28-F61 HydrophobicContact CB-CZ 3.66Å; M30-F61 HydrophobicContact CG-CZ 4.06Å; M30-F61 HydrophobicContact SD-CE2 4.49Å; M30-F61 HydrophobicContact SD-CZ 4.22Å; W36-F61 HydrophobicContact CB-CD1 3.93Å; W36-F61 HydrophobicContact CB-CE1 4.15Å; W36-F61 AromaticContact CD1-CD1 3.81Å; W36-F61 HydrophobicContact CG-CD1 4.14Å; V59-F61 HydrophobicContact CB-CE2 3.97Å; V59-F61 HydrophobicContact CB-CZ 4.3Å; V59-F61 HydrophobicContact CG1-CD2 4.12Å; V59-F61 HydrophobicContact CG1-CE1 4.34Å; V59-F61 HydrophobicContact CG1-CE2 3.82Å; V59-F61 HydrophobicContact CG1-CG 4.48Å; V59-F61 HydrophobicContact CG1-CZ 3.95Å; F61-S64 WeakPolarHBondContact CB-OG 3.39Å; F61-R65 WeakPolarHBondContact O-CA 3.49Å; F61-R65 PolarHBondContact O-N 2.76Å; F61-N66 PolarHBondContact N-O 2.65Å; F61-A68 HydrophobicContact CE2-CB 3.98Å; F61-I70 HydrophobicContact CE2-CD1 4.3Å; F61-I70 HydrophobicContact CE2-CG1 4.33Å; F61-I70 HydrophobicContact CZ-CD1 3.8Å; F61-I70 HydrophobicContact CZ-CG1 3.94Å
62	F	93.7	Very high	87.4	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	150	177.8	-69.6	-83	0	0	0	111.7	L25 W36 P37 M39 F60 S64 A98 D101 I102 Y105 V112	L25-F62 HydrophobicContact CD2-CE2 3.78Å; L25-F62 HydrophobicContact CD2-CZ 3.9Å; W36-F62 PolarHBondContact NE1-O 3.27Å; P37-F62 HydrophobicContact CB-CD2 4.45Å; P37-F62 HydrophobicContact CG-CB 4.44Å; P37-F62 PolarHBondContact O-N 3.1Å; P37-F62 VanDerWaalsContact O-N 3.17Å; M39-F62 HydrophobicContact CB-CE2 3.9Å; M39-F62 HydrophobicContact CB-CZ 4.09Å; F60-F62 HydrophobicContact CE1-CD1 4.02Å; F60-F62 HydrophobicContact CE1-CE1 4.05Å; F60-F62 HydrophobicContact CE1-CG 4.41Å; F60-F62 HydrophobicContact CE1-CZ 4.48Å; F62-S64 PolarHBondContact O-N 3.45Å; F62-A98 WeakPolarHBondContact O-CB 3.29Å; F62-D101 HydrophobicContact CB-CB 4.26Å; F62-D101 HydrophobicContact CD1-CB 4.45Å; F62-I102 HydrophobicContact CB-CB 4.16Å; F62-I102 HydrophobicContact CD1-CB 4.03Å; F62-I102 HydrophobicContact CD2-CB 3.66Å; F62-I102 HydrophobicContact CD2-CD1 3.69Å; F62-I102 HydrophobicContact CD2-CG1 3.76Å; F62-I102 HydrophobicContact CE1-CB 4.36Å; F62-I102 HydrophobicContact CE1-CG1 4.45Å; F62-I102 HydrophobicContact CE2-CB 4.02Å; F62-I102 HydrophobicContact CE2-CD1 3.6Å; F62-I102 HydrophobicContact CE2-CG1 3.62Å; F62-I102 HydrophobicContact CG-CB 3.67Å; F62-I102 HydrophobicContact CG-CG1 4.24Å; F62-I102 HydrophobicContact CZ-CB 4.35Å; F62-I102 HydrophobicContact CZ-CD1 4.43Å; F62-I102 HydrophobicContact CZ-CG1 3.99Å; F62-Y105 HydrophobicContact CE1-CD1 4.07Å; F62-Y105 HydrophobicContact CE1-CD2 4.24Å; F62-Y105 AromaticContact CE1-CG 3.67Å; F62-Y105 HydrophobicContact CE1-CG 3.67Å; F62-Y105 AromaticContact CZ-CD1 3.68Å; F62-Y105 HydrophobicContact CZ-CD1 3.68Å; F62-Y105 HydrophobicContact CZ-CD2 4.46Å; F62-Y105 HydrophobicContact CZ-CE1 4.29Å; F62-Y105 AromaticContact CZ-CG 3.78Å; F62-Y105 HydrophobicContact CZ-CG 3.78Å; F62-V112 HydrophobicContact CE1-CG1 4.21Å
63	G	89.8	Confident	88.5	Confident	24 Å²	24	49.7 Å²	49.7	25%	0.247	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	-28.6	-176.2	0	0	0	0	0	115.5	D101	G63-D101 PolarHBondContact N-OD2 3.06Å
64	S	87	Confident	89.5	Confident	60 Å²	60	44.4 Å²	44.4	42%	0.42	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-12	172.9	52.3	0	0	0	0	114.1	F61 F62 N66	F61-S64 WeakPolarHBondContact CB-OG 3.39Å; F62-S64 PolarHBondContact O-N 3.45Å; S64-N66 WeakPolarHBondContact CB-OD1 3.25Å; S64-N66 PolarHBondContact O-N 2.9Å; S64-N66 VanDerWaalsContact O-N 3.07Å; S64-N66 PolarHBondContact OG-OD1 2.82Å
65	R	88.6	Confident	90.5	Very high	72 Å²	72	40.6 Å²	40.6	27%	0.272	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	36.7	176	-55.6	-159.4	171.4	-170.6	2.8	114.5	F60 F61 D101 E111 Q115	F60-R65 HydrophobicContact CE2-CB 3.96Å; F60-R65 HydrophobicContact CE2-CG 4.46Å; F60-R65 HydrophobicContact CZ-CB 4.01Å; F60-R65 HydrophobicContact CZ-CG 4Å; F61-R65 WeakPolarHBondContact O-CA 3.49Å; F61-R65 PolarHBondContact O-N 2.76Å; R65-D101 IonicContact CZ-OD1 3.02Å; R65-D101 IonicContact NE-OD1 3.59Å; R65-D101 IonicContact NH2-OD1 2.76Å; R65-D101 PolarHBondContact NH2-OD1 3.39Å; R65-D101 VanDerWaalsContact NH2-OD1 3.16Å; R65-E111 IonicContact CZ-OE1 3.06Å; R65-E111 VanDerWaalsContact CZ-OE1 3.25Å; R65-E111 IonicContact NH1-OE1 2.66Å; R65-E111 PolarHBondContact NH1-OE1 3.04Å; R65-E111 IonicContact NH2-OE1 3.53Å; R65-E111 PolarHBondContact NH2-OE1 2.78Å; R65-Q115 VanDerWaalsContact CD-OE1 3.24Å
66	N	87.4	Confident	90.9	Very high	45 Å²	45	38.9 Å²	38.9	24%	0.241	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	161.2	-176.5	66.3	-20.3	0	0	0	112	F60 F61 S64	F60-N66 CarbonylContact C-O 3.55Å; F60-N66 WeakPolarHBondContact CA-O 3.33Å; F61-N66 PolarHBondContact N-O 2.65Å; S64-N66 WeakPolarHBondContact CB-OD1 3.25Å; S64-N66 PolarHBondContact O-N 2.9Å; S64-N66 VanDerWaalsContact O-N 3.07Å; S64-N66 PolarHBondContact OG-OD1 2.82Å
67	F	91.2	Very high	91.2	Very high	20 Å²	20	39.2 Å²	39.2	9%	0.088	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	143	-174.2	-56.5	-95.9	0	0	0	111.3	V41 P44 L47 V59 F60 V116 N392	V41-F67 HydrophobicContact CG2-CD1 3.74Å; V41-F67 HydrophobicContact CG2-CE1 3.9Å; P44-F67 HydrophobicContact CG-CB 4.03Å; P44-F67 HydrophobicContact CG-CD1 3.88Å; P44-F67 HydrophobicContact CG-CD2 3.9Å; P44-F67 HydrophobicContact CG-CE1 4.29Å; P44-F67 HydrophobicContact CG-CE2 4.33Å; P44-F67 HydrophobicContact CG-CG 3.67Å; L47-F67 HydrophobicContact CD1-CB 4.38Å; L47-F67 HydrophobicContact CD2-CB 3.99Å; V59-F67 CarbonylContact O-C 3.51Å; V59-F67 VanDerWaalsContact O-CA 3.29Å; V59-F67 WeakPolarHBondContact O-CA 3.45Å; F60-F67 HydrophobicContact CB-CD1 4.15Å; F60-F67 HydrophobicContact CB-CE1 4.06Å; F60-F67 HydrophobicContact CD2-CD1 4.32Å; F60-F67 AromaticContact CD2-CE1 3.81Å; F60-F67 HydrophobicContact CD2-CE1 3.81Å; F60-F67 HydrophobicContact CD2-CE2 4.27Å; F60-F67 AromaticContact CD2-CZ 3.77Å; F60-F67 HydrophobicContact CD2-CZ 3.77Å; F60-F67 HydrophobicContact CE2-CZ 4.41Å; F60-F67 HydrophobicContact CG-CE1 4.41Å; F67-V116 HydrophobicContact CE1-CG2 4.49Å; F67-V116 HydrophobicContact CZ-CG2 4.45Å; F67-N392 PolarHBondContact O-ND2 2.83Å
68	A	89.7	Confident	91.3	Very high	14 Å²	14	36.5 Å²	36.5	12%	0.116	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	153.7	167.8	0	0	0	0	0	113.4	M30 V59 F61 I70	M30-A68 HydrophobicContact CE-CB 4.44Å; V59-A68 PolarHBondContact N-O 2.97Å; V59-A68 PolarHBondContact O-N 3.08Å; F61-A68 HydrophobicContact CE2-CB 3.98Å; A68-I70 HydrophobicContact CB-CD1 4.27Å
69	W	90.9	Very high	91.1	Very high	57 Å²	57	41 Å²	41	22%	0.216	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	118.2	168.7	-68.4	106.8	0	0	0	110.9	P43 L47 R52 K57 C58	P43-W69 HydrophobicContact CB-CH2 3.82Å; P43-W69 HydrophobicContact CB-CZ2 3.6Å; P43-W69 HydrophobicContact CG-CH2 3.92Å; P43-W69 HydrophobicContact CG-CZ2 4.09Å; L47-W69 PolarHBondContact O-NE1 3.16Å; R52-W69 HydrophobicContact CG-CD2 4.43Å; R52-W69 HydrophobicContact CG-CE3 4.2Å; R52-W69 HydrophobicContact CG-CH2 4.4Å; R52-W69 HydrophobicContact CG-CZ3 4.19Å; K57-W69 WeakPolarHBondContact O-CA 3.22Å; C58-W69 HydrophobicContact CB-CE3 4.22Å; C58-W69 HydrophobicContact CB-CH2 4.26Å; C58-W69 HydrophobicContact CB-CZ3 4.05Å
70	I	91.9	Very high	90.7	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.3	-179.1	-53.9	-63.2	0	0	0	109.8	A28 M30 T56 K57 V59 F61 A68 N74 I75	A28-I70 HydrophobicContact CB-CG1 4.18Å; A28-I70 HydrophobicContact CB-CG2 4.26Å; M30-I70 HydrophobicContact CG-CD1 3.65Å; T56-I70 CarbonylContact C-O 3.58Å; T56-I70 VanDerWaalsContact CA-O 3.25Å; T56-I70 WeakPolarHBondContact CA-O 3.31Å; K57-I70 PolarHBondContact N-O 3.28Å; K57-I70 PolarHBondContact O-N 3.16Å; V59-I70 HydrophobicContact CB-CG1 4Å; V59-I70 HydrophobicContact CG2-CB 3.95Å; V59-I70 HydrophobicContact CG2-CG1 3.73Å; F61-I70 HydrophobicContact CE2-CD1 4.3Å; F61-I70 HydrophobicContact CE2-CG1 4.33Å; F61-I70 HydrophobicContact CZ-CD1 3.8Å; F61-I70 HydrophobicContact CZ-CG1 3.94Å; A68-I70 HydrophobicContact CB-CD1 4.27Å; I70-N74 HydrophobicContact CG2-CB 3.99Å; I70-I75 HydrophobicContact CB-CD1 4.21Å; I70-I75 HydrophobicContact CB-CG1 4.26Å; I70-I75 HydrophobicContact CG2-CD1 4.13Å; I70-I75 HydrophobicContact CG2-CG1 3.64Å
71	E	90.2	Very high	90.1	Very high	74 Å²	74	47.4 Å²	47.4	35%	0.346	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	132.5	174.3	-65.8	170.7	-177.4	0	0	109.8	R53 N55 T56 N73 N74	R53-E71 IonicContact NH1-OE1 2.81Å; R53-E71 PolarHBondContact NH1-OE1 3.34Å; N55-E71 CarbonylContact O-C 3.54Å; N55-E71 WeakPolarHBondContact O-CA 3.48Å; T56-E71 HydrophobicContact CG2-CB 4.45Å; T56-E71 HydrophobicContact CG2-CG 3.82Å; E71-N73 PolarHBondContact O-N 2.84Å; E71-N74 WeakPolarHBondContact O-CA 3.48Å; E71-N74 WeakPolarHBondContact O-CB 3.29Å; E71-N74 PolarHBondContact O-N 2.88Å
72	E	89.2	Confident	89.7	Confident	66 Å²	66	49.3 Å²	49.3	31%	0.308	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-55.2	-31.4	-172.6	-72.3	-178.1	159.6	0	0	113.4	N55 K57 N74 I75	N55-E72 PolarHBondContact O-N 3.29Å; K57-E72 WeakPolarHBondContact CE-OE1 3.45Å; K57-E72 HydrophobicContact CG-CG 3.98Å; K57-E72 IonicContact NZ-OE1 2.65Å; E72-N74 PolarHBondContact O-N 3.24Å; E72-N74 VanDerWaalsContact O-N 3.16Å; E72-I75 PolarHBondContact O-N 2.82Å
73	N	89.7	Confident	89.3	Confident	141 Å²	141	52.1 Å²	52.1	75%	0.754	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-62.5	-17.8	174.9	-65	-17.7	0	0	0	114	E71	E71-N73 PolarHBondContact O-N 2.84Å
74	N	91.1	Very high	89	Confident	59 Å²	59	57.5 Å²	57.5	32%	0.316	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-102.1	10.2	177.2	-67.6	-63.6	0	0	0	112.7	K29 I70 E71 E72	K29-N74 HydrophobicContact CB-CB 4.23Å; K29-N74 PolarHBondContact N-O 3.42Å; K29-N74 WeakPolarHBondContact O-CB 3.49Å; I70-N74 HydrophobicContact CG2-CB 3.99Å; E71-N74 WeakPolarHBondContact O-CA 3.48Å; E71-N74 WeakPolarHBondContact O-CB 3.29Å; E71-N74 PolarHBondContact O-N 2.88Å; E72-N74 PolarHBondContact O-N 3.24Å; E72-N74 VanDerWaalsContact O-N 3.16Å
75	I	93.4	Very high	89	Confident	8 Å²	8	59.6 Å²	59.6	4%	0.041	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.8	178.4	-54.9	-178.1	0	0	0	109.5	Y20 I26 W27 I40 K57 V59 I70 E72	Y20-I75 HydrophobicContact CD1-CG2 4.38Å; Y20-I75 HydrophobicContact CD2-CG2 4.2Å; Y20-I75 HydrophobicContact CE1-CG2 3.86Å; Y20-I75 HydrophobicContact CE2-CB 3.91Å; Y20-I75 HydrophobicContact CE2-CG2 3.65Å; Y20-I75 VanDerWaalsContact CZ-CG2 3.46Å; Y20-I75 VanDerWaalsContact OH-C 3.24Å; Y20-I75 PolarHBondContact OH-O 3.48Å; I26-I75 HydrophobicContact CB-CG2 3.75Å; I26-I75 HydrophobicContact CD1-CD1 4.32Å; I26-I75 HydrophobicContact CD1-CG1 4.43Å; I26-I75 HydrophobicContact CD1-CG2 3.56Å; I26-I75 HydrophobicContact CG1-CG2 4.27Å; I26-I75 HydrophobicContact CG2-CG2 3.63Å; W27-I75 WeakPolarHBondContact O-CA 3.32Å; I40-I75 HydrophobicContact CD1-CD1 4.45Å; I40-I75 HydrophobicContact CD1-CG2 4.44Å; K57-I75 HydrophobicContact CB-CD1 3.87Å; K57-I75 HydrophobicContact CG-CD1 4.13Å; V59-I75 HydrophobicContact CG2-CD1 4.26Å; I70-I75 HydrophobicContact CB-CD1 4.21Å; I70-I75 HydrophobicContact CB-CG1 4.26Å; I70-I75 HydrophobicContact CG2-CD1 4.13Å; I70-I75 HydrophobicContact CG2-CG1 3.64Å; E72-I75 PolarHBondContact O-N 2.82Å
76	K	92.6	Very high	88.9	Confident	78 Å²	78	56.7 Å²	56.7	34%	0.339	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	152.1	169.7	-60.3	-177.2	173.7	-172	0	109.8	Y20 I26 W27 W82 L86	Y20-K76 VanDerWaalsContact OH-CA 3.24Å; Y20-K76 WeakPolarHBondContact OH-CA 3.49Å; Y20-K76 PolarHBondContact OH-N 3.09Å; I26-K76 CarbonylContact C-O 3.46Å; I26-K76 VanDerWaalsContact CA-O 3.26Å; I26-K76 WeakPolarHBondContact CA-O 3.39Å; I26-K76 WeakPolarHBondContact CB-O 3.36Å; W27-K76 HydrophobicContact CB-CB 4.41Å; W27-K76 PolarHBondContact N-O 3.28Å; W27-K76 PolarHBondContact O-N 3.21Å; K76-W82 HydrophobicContact CB-CD2 4.21Å; K76-W82 HydrophobicContact CB-CG 4.26Å; K76-W82 HydrophobicContact CD-CB 4.45Å; K76-W82 HydrophobicContact CD-CD2 4.21Å; K76-W82 HydrophobicContact CD-CG 3.76Å; K76-L86 HydrophobicContact CD-CD1 4.35Å
77	P	93.1	Very high	88.8	Confident	28 Å²	28	56.2 Å²	56.2	18%	0.182	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	141.2	170.4	-22.6	33.6	0	0	0	111.5	F18 Y20 W82	F18-P77 HydrophobicContact CD1-CG 3.58Å; F18-P77 HydrophobicContact CD2-CG 4.27Å; F18-P77 HydrophobicContact CE1-CG 3.76Å; F18-P77 HydrophobicContact CE2-CG 4.42Å; F18-P77 HydrophobicContact CG-CG 3.88Å; F18-P77 HydrophobicContact CZ-CG 4.21Å; Y20-P77 HydrophobicContact CE1-CG 4.29Å; Y20-P77 WeakPolarHBondContact OH-CD 3.49Å; P77-W82 HydrophobicContact CB-CE3 4.18Å; P77-W82 HydrophobicContact CB-CZ3 3.97Å; P77-W82 HydrophobicContact CG-CE3 4.24Å; P77-W82 HydrophobicContact CG-CH2 4.4Å; P77-W82 HydrophobicContact CG-CZ3 3.7Å
78	F	92.3	Very high	88.4	Confident	1 Å²	1	61.9 Å²	61.9	0%	0.004	32%	0.318	C	S	.	.	S	Bend	trans	-64.3	-44.7	-179.7	179.3	-113.4	0	0	0	111.9	L25 W27 P37 K83 M99 I102 I106	L25-F78 VanDerWaalsContact C-CB 3.45Å; L25-F78 HydrophobicContact CB-CB 3.79Å; L25-F78 HydrophobicContact CB-CD1 4.46Å; L25-F78 HydrophobicContact CB-CG 4.38Å; L25-F78 WeakPolarHBondContact O-CB 3.35Å; L25-F78 PolarHBondContact O-N 3.02Å; W27-F78 HydrophobicContact CD2-CD2 4.15Å; W27-F78 AromaticContact CE2-CD2 3.58Å; W27-F78 AromaticContact CE2-CE2 3.79Å; W27-F78 HydrophobicContact CG-CD2 4.47Å; W27-F78 HydrophobicContact CH2-CE2 4.08Å; W27-F78 AromaticContact CZ2-CD2 3.85Å; W27-F78 HydrophobicContact CZ2-CD2 3.85Å; W27-F78 AromaticContact CZ2-CE2 3.53Å; W27-F78 HydrophobicContact CZ2-CE2 3.53Å; W27-F78 AromaticContact NE1-CD2 3.54Å; W27-F78 PolarHBondContact NE1-O 3.04Å; P37-F78 HydrophobicContact CB-CD2 4.39Å; P37-F78 HydrophobicContact CB-CE2 4.01Å; F78-K83 HydrophobicContact CE1-CD 4.29Å; F78-K83 WeakPolarHBondContact O-CB 3.48Å; F78-M99 HydrophobicContact CE2-CE 4.3Å; F78-M99 HydrophobicContact CE2-SD 4.32Å; F78-M99 HydrophobicContact CZ-CE 4.05Å; F78-I102 HydrophobicContact CD1-CD1 3.94Å; F78-I102 HydrophobicContact CD2-CD1 3.79Å; F78-I102 HydrophobicContact CE1-CD1 3.9Å; F78-I102 HydrophobicContact CE1-CG1 4.27Å; F78-I102 HydrophobicContact CE1-CG2 4.38Å; F78-I102 HydrophobicContact CE2-CD1 3.78Å; F78-I102 HydrophobicContact CE2-CG2 4.14Å; F78-I102 HydrophobicContact CG-CD1 3.88Å; F78-I102 HydrophobicContact CZ-CD1 3.83Å; F78-I102 HydrophobicContact CZ-CG1 4.29Å; F78-I102 HydrophobicContact CZ-CG2 3.7Å; F78-I106 HydrophobicContact CE1-CD1 4.05Å
79	E	88.7	Confident	87.6	Confident	98 Å²	98	64.9 Å²	64.9	46%	0.458	34%	0.335	S	S	.	.	S	Bend	trans	-81.9	164.2	177.7	-69.8	-59.4	154.2	0	0	113.4	K83	E79-K83 IonicContact OE1-NZ 3.35Å; E79-K83 PolarHBondContact OE1-NZ 3Å; E79-K83 VanDerWaalsContact OE2-CD 3.28Å; E79-K83 WeakPolarHBondContact OE2-CD 3.44Å; E79-K83 IonicContact OE2-NZ 2.75Å
80	G	84.4	Confident	86.5	Confident	45 Å²	45	62.9 Å²	62.9	46%	0.464	33%	0.33	S	S	.	.	S	Bend	trans	91.8	-154.7	-178.5	0	0	0	0	0	112.6	W82 K83	G80-W82 PolarHBondContact O-N 3.47Å; G80-W82 VanDerWaalsContact O-N 3.08Å; G80-K83 PolarHBondContact O-N 2.75Å; G80-K83 VanDerWaalsContact O-N 3.17Å
81	P	83.2	Confident	85.5	Confident	91 Å²	91	71.3 Å²	71.3	59%	0.591	37%	0.366	S	S	*	.	H	α-helix	trans	-62	-24.9	-168.8	25.7	-34.6	0	0	0	113.5
82	W	85.8	Confident	85	Confident	46 Å²	46	71.3 Å²	71.3	17%	0.174	37%	0.372	C	S	.	.	H	α-helix	trans	-76.2	-23	-178.1	-51.1	-62.6	0	0	0	113.9	F18 K76 P77 G80 E84 E85 L86	F18-W82 HydrophobicContact CE1-CH2 4.34Å; F18-W82 HydrophobicContact CE2-CH2 4.03Å; F18-W82 HydrophobicContact CE2-CZ2 4.46Å; F18-W82 AromaticContact CZ-CH2 3.57Å; F18-W82 HydrophobicContact CZ-CH2 3.57Å; F18-W82 HydrophobicContact CZ-CZ2 4.34Å; F18-W82 HydrophobicContact CZ-CZ3 4.3Å; K76-W82 HydrophobicContact CB-CD2 4.21Å; K76-W82 HydrophobicContact CB-CG 4.26Å; K76-W82 HydrophobicContact CD-CB 4.45Å; K76-W82 HydrophobicContact CD-CD2 4.21Å; K76-W82 HydrophobicContact CD-CG 3.76Å; P77-W82 HydrophobicContact CB-CE3 4.18Å; P77-W82 HydrophobicContact CB-CZ3 3.97Å; P77-W82 HydrophobicContact CG-CE3 4.24Å; P77-W82 HydrophobicContact CG-CH2 4.4Å; P77-W82 HydrophobicContact CG-CZ3 3.7Å; G80-W82 PolarHBondContact O-N 3.47Å; G80-W82 VanDerWaalsContact O-N 3.08Å; W82-E84 PolarHBondContact O-N 3.39Å; W82-E85 PolarHBondContact O-N 2.85Å; W82-L86 HydrophobicContact CB-CD1 4Å; W82-L86 HydrophobicContact CB-CG 4.34Å; W82-L86 VanDerWaalsContact O-CB 3.26Å; W82-L86 WeakPolarHBondContact O-CB 3.36Å; W82-L86 WeakPolarHBondContact O-CG 3.33Å; W82-L86 PolarHBondContact O-N 3.46Å
83	K	86.1	Confident	84.8	Confident	59 Å²	59	70.8 Å²	70.8	26%	0.257	38%	0.379	S	S	.	.	H	α-helix	trans	-59.8	-51.3	-179.9	-168	168.5	-178	174.7	0	110.8	F78 E79 G80 A87	F78-K83 HydrophobicContact CE1-CD 4.29Å; F78-K83 WeakPolarHBondContact O-CB 3.48Å; E79-K83 IonicContact OE1-NZ 3.35Å; E79-K83 PolarHBondContact OE1-NZ 3Å; E79-K83 VanDerWaalsContact OE2-CD 3.28Å; E79-K83 WeakPolarHBondContact OE2-CD 3.44Å; E79-K83 IonicContact OE2-NZ 2.75Å; G80-K83 PolarHBondContact O-N 2.75Å; G80-K83 VanDerWaalsContact O-N 3.17Å; K83-A87 WeakPolarHBondContact O-CB 3.41Å; K83-A87 PolarHBondContact O-N 3.02Å; K83-A87 VanDerWaalsContact O-N 3.08Å
84	E	83.4	Confident	84.7	Confident	137 Å²	137	66.8 Å²	66.8	64%	0.64	37%	0.366	S	S	*	.	H	α-helix	trans	-69.9	-34.7	177.2	-79.7	-155.7	-134.5	0	0	114.1	W82 K88	W82-E84 PolarHBondContact O-N 3.39Å; E84-K88 WeakPolarHBondContact O-CD 3.44Å; E84-K88 VanDerWaalsContact O-CE 3.23Å; E84-K88 WeakPolarHBondContact O-CE 3.42Å; E84-K88 VanDerWaalsContact O-CG 3.29Å; E84-K88 WeakPolarHBondContact O-CG 3.34Å; E84-K88 PolarHBondContact O-NZ 3.34Å; E84-K88 IonicContact OE2-NZ 3.05Å; E84-K88 PolarHBondContact OE2-NZ 3.4Å
85	E	85.5	Confident	84.7	Confident	105 Å²	105	64.2 Å²	64.2	49%	0.491	35%	0.352	S	S	.	.	H	α-helix	trans	-66.5	-54.2	178.4	-171.6	-165.4	162.6	0	0	110.1	W82 V89	W82-E85 PolarHBondContact O-N 2.85Å; E85-V89 WeakPolarHBondContact O-CG2 3.39Å
86	L	86.9	Confident	84.5	Confident	10 Å²	10	71.5 Å²	71.5	5%	0.052	38%	0.379	C	S	.	.	H	α-helix	trans	-84	-31.8	-167.6	-59.9	-178.2	0	0	0	113.3	W27 P35 K76 W82 K88 V89	W27-L86 HydrophobicContact CB-CD1 3.72Å; W27-L86 HydrophobicContact CD2-CB 3.82Å; W27-L86 HydrophobicContact CD2-CD1 3.75Å; W27-L86 HydrophobicContact CD2-CG 4.42Å; W27-L86 HydrophobicContact CE3-CB 3.89Å; W27-L86 HydrophobicContact CE3-CD1 4.26Å; W27-L86 HydrophobicContact CG-CB 4.43Å; W27-L86 HydrophobicContact CG-CD1 3.47Å; W27-L86 VanDerWaalsContact CG-CD1 3.47Å; W27-L86 HydrophobicContact CH2-CB 4.05Å; W27-L86 HydrophobicContact CZ2-CB 3.99Å; W27-L86 HydrophobicContact CZ3-CB 4Å; P35-L86 HydrophobicContact CB-CD1 3.89Å; P35-L86 HydrophobicContact CB-CD2 4.29Å; P35-L86 HydrophobicContact CG-CD1 4.25Å; P35-L86 HydrophobicContact CG-CD2 3.94Å; K76-L86 HydrophobicContact CD-CD1 4.35Å; W82-L86 HydrophobicContact CB-CD1 4Å; W82-L86 HydrophobicContact CB-CG 4.34Å; W82-L86 VanDerWaalsContact O-CB 3.26Å; W82-L86 WeakPolarHBondContact O-CB 3.36Å; W82-L86 WeakPolarHBondContact O-CG 3.33Å; W82-L86 PolarHBondContact O-N 3.46Å; L86-K88 PolarHBondContact O-N 2.77Å; L86-K88 VanDerWaalsContact O-N 3.17Å; L86-V89 HydrophobicContact CD2-CG2 4.19Å; L86-V89 WeakPolarHBondContact O-CB 3.4Å; L86-V89 PolarHBondContact O-N 3.14Å; L86-V89 VanDerWaalsContact O-N 3.07Å
87	A	85.1	Confident	84.4	Confident	35 Å²	35	72.9 Å²	72.9	29%	0.289	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.3	172.2	0	0	0	0	0	112.9	W27 K83 M99	W27-A87 HydrophobicContact CH2-CB 4.22Å; W27-A87 HydrophobicContact CZ2-CB 4.47Å; K83-A87 WeakPolarHBondContact O-CB 3.41Å; K83-A87 PolarHBondContact O-N 3.02Å; K83-A87 VanDerWaalsContact O-N 3.08Å; A87-M99 HydrophobicContact CB-CE 4.12Å
88	K	82.3	Confident	84.3	Confident	139 Å²	139	71.6 Å²	71.6	60%	0.604	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-12.6	177.6	-64.8	170.7	-164	154.9	0	113.4	E84 L86	E84-K88 WeakPolarHBondContact O-CD 3.44Å; E84-K88 VanDerWaalsContact O-CE 3.23Å; E84-K88 WeakPolarHBondContact O-CE 3.42Å; E84-K88 VanDerWaalsContact O-CG 3.29Å; E84-K88 WeakPolarHBondContact O-CG 3.34Å; E84-K88 PolarHBondContact O-NZ 3.34Å; E84-K88 IonicContact OE2-NZ 3.05Å; E84-K88 PolarHBondContact OE2-NZ 3.4Å; L86-K88 PolarHBondContact O-N 2.77Å; L86-K88 VanDerWaalsContact O-N 3.17Å
89	V	74.6	Confident	84.3	Confident	78 Å²	78	72.5 Å²	72.5	47%	0.473	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-29.7	-174.8	174.2	0	0	0	0	112.7	T34 E85 L86	T34-V89 HydrophobicContact CG2-CG1 3.85Å; E85-V89 WeakPolarHBondContact O-CG2 3.39Å; L86-V89 HydrophobicContact CD2-CG2 4.19Å; L86-V89 WeakPolarHBondContact O-CB 3.4Å; L86-V89 PolarHBondContact O-N 3.14Å; L86-V89 VanDerWaalsContact O-N 3.07Å
90	S	67.9	Low	84.5	Confident	15 Å²	15	71.9 Å²	71.9	11%	0.105	39%	0.385	C	S	.	.			trans	-127.7	127.7	-167.2	-162	0	0	0	0	112.1	P92 F95	S90-P92 VanDerWaalsContact OG-CD 3.22Å; S90-P92 WeakPolarHBondContact OG-CD 3.5Å; S90-F95 WeakPolarHBondContact O-CD1 3.27Å
91	K	69.2	Low	84.9	Confident	185 Å²	185	70.1 Å²	70.1	80%	0.804	37%	0.365	S	S	*	.			trans	-108.7	-6.2	-179.2	-60.7	-174.9	-179.8	-178.1	0	117.7
92	P	81.5	Confident	85.4	Confident	73 Å²	73	65.8 Å²	65.8	47%	0.474	34%	0.337	S	S	.	.	S	Bend	trans	-57.2	153.4	177.1	-24.8	34.7	0	0	0	113.8	S90 A94 F95 R96	S90-P92 VanDerWaalsContact OG-CD 3.22Å; S90-P92 WeakPolarHBondContact OG-CD 3.5Å; P92-A94 VanDerWaalsContact C-N 3.3Å; P92-A94 PolarHBondContact O-N 3.1Å; P92-F95 PolarHBondContact O-N 3.16Å; P92-F95 VanDerWaalsContact O-N 3.14Å; P92-R96 PolarHBondContact O-N 2.84Å
93	A	84.8	Confident	85.7	Confident	55 Å²	55	67.9 Å²	67.9	46%	0.455	35%	0.349	S	S	.	.	H	α-helix	trans	-56.2	-43	173.5	0	0	0	0	0	112.3	F95 R96 H97	A93-F95 VanDerWaalsContact C-N 3.28Å; A93-F95 PolarHBondContact O-N 2.99Å; A93-R96 PolarHBondContact O-N 3.16Å; A93-R96 VanDerWaalsContact O-N 3.13Å; A93-H97 PolarHBondContact O-N 2.79Å
94	A	86.9	Confident	86	Confident	58 Å²	58	69.9 Å²	69.9	48%	0.479	36%	0.358	S	S	.	.	H	α-helix	trans	-59	-34.6	176.7	0	0	0	0	0	113.7	W36 P92 H97 A98	W36-A94 HydrophobicContact CH2-CB 4.12Å; W36-A94 HydrophobicContact CZ2-CB 4.44Å; W36-A94 WeakPolarHBondContact CZ2-O 3.5Å; P92-A94 VanDerWaalsContact C-N 3.3Å; P92-A94 PolarHBondContact O-N 3.1Å; A94-H97 PolarHBondContact O-N 2.84Å; A94-A98 WeakPolarHBondContact O-CB 3.35Å; A94-A98 PolarHBondContact O-N 3.34Å
95	F	90.2	Very high	86.5	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.018	33%	0.331	C	S	.	.	H	α-helix	trans	-72.5	-38.9	176.6	-176.5	-96.9	0	0	0	111.6	W27 W36 S90 P92 A93 H97 A98 M99	W27-F95 AromaticContact CH2-CZ 3.99Å; W27-F95 HydrophobicContact CH2-CZ 3.99Å; W27-F95 AromaticContact CZ3-CE2 3.93Å; W27-F95 HydrophobicContact CZ3-CE2 3.93Å; W27-F95 AromaticContact CZ3-CZ 3.74Å; W27-F95 HydrophobicContact CZ3-CZ 3.74Å; W36-F95 HydrophobicContact CD2-CD2 4.11Å; W36-F95 AromaticContact CE3-CD2 3.7Å; W36-F95 HydrophobicContact CE3-CD2 3.7Å; W36-F95 HydrophobicContact CE3-CE2 4.41Å; W36-F95 HydrophobicContact CH2-CB 3.76Å; W36-F95 HydrophobicContact CH2-CD2 4.14Å; W36-F95 HydrophobicContact CH2-CG 4.47Å; W36-F95 HydrophobicContact CZ2-CB 4.41Å; W36-F95 HydrophobicContact CZ3-CB 3.94Å; W36-F95 AromaticContact CZ3-CD2 3.72Å; W36-F95 HydrophobicContact CZ3-CD2 3.72Å; W36-F95 HydrophobicContact CZ3-CG 4.34Å; S90-F95 WeakPolarHBondContact O-CD1 3.27Å; P92-F95 PolarHBondContact O-N 3.16Å; P92-F95 VanDerWaalsContact O-N 3.14Å; A93-F95 VanDerWaalsContact C-N 3.28Å; A93-F95 PolarHBondContact O-N 2.99Å; F95-H97 VanDerWaalsContact C-N 3.34Å; F95-A98 PolarHBondContact O-N 3.05Å; F95-M99 HydrophobicContact CD1-CG 4.15Å; F95-M99 HydrophobicContact CE1-CG 3.83Å; F95-M99 HydrophobicContact CE1-SD 4.36Å; F95-M99 HydrophobicContact CZ-CG 4.23Å; F95-M99 HydrophobicContact CZ-SD 4.24Å; F95-M99 WeakPolarHBondContact O-CG 3.47Å; F95-M99 PolarHBondContact O-N 3.42Å
96	R	89.2	Confident	86.8	Confident	162 Å²	162	63.1 Å²	63.1	61%	0.611	33%	0.327	S	S	*	.	H	α-helix	trans	-62.2	-42.7	172.7	-68.3	-173.9	-71.4	145.3	0.6	111.2	P92 A93 M99 T100	P92-R96 PolarHBondContact O-N 2.84Å; A93-R96 PolarHBondContact O-N 3.16Å; A93-R96 VanDerWaalsContact O-N 3.13Å; R96-M99 PolarHBondContact O-N 3.44Å; R96-T100 PolarHBondContact O-N 3.25Å; R96-T100 PolarHBondContact O-OG1 2.67Å
97	H	90.7	Very high	87	Confident	107 Å²	107	69.6 Å²	69.6	50%	0.495	36%	0.362	S	S	.	.	H	α-helix	trans	-60.3	-46.6	174.2	-179.8	53.6	0	0	0	111.9	A93 A94 F95 M99 T100 D101	A93-H97 PolarHBondContact O-N 2.79Å; A94-H97 PolarHBondContact O-N 2.84Å; F95-H97 VanDerWaalsContact C-N 3.34Å; H97-M99 VanDerWaalsContact C-N 3.31Å; H97-M99 PolarHBondContact O-N 3.48Å; H97-T100 PolarHBondContact O-N 3.1Å; H97-T100 VanDerWaalsContact O-N 3.15Å; H97-D101 WeakPolarHBondContact O-CB 3.08Å; H97-D101 PolarHBondContact O-N 3.26Å
98	A	92.5	Very high	87.2	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-61	-35.2	175.9	0	0	0	0	0	113.8	W36 P37 F62 A94 F95 I102	W36-A98 HydrophobicContact CZ2-CB 3.7Å; W36-A98 VanDerWaalsContact NE1-CB 3.34Å; P37-A98 HydrophobicContact CG-CB 3.86Å; F62-A98 WeakPolarHBondContact O-CB 3.29Å; A94-A98 WeakPolarHBondContact O-CB 3.35Å; A94-A98 PolarHBondContact O-N 3.34Å; F95-A98 PolarHBondContact O-N 3.05Å; A98-I102 WeakPolarHBondContact O-CG2 3.4Å; A98-I102 PolarHBondContact O-N 2.97Å; A98-I102 VanDerWaalsContact O-N 3.1Å
99	M	92.5	Very high	87.6	Confident	21 Å²	21	68 Å²	68	10%	0.103	36%	0.358	C	S	.	.	H	α-helix	trans	-67.1	-42.4	172.6	-72.7	-62	-57.8	0	0	112	W27 P37 F78 A87 F95 R96 H97 D101 I102 E103	W27-M99 HydrophobicContact CH2-CE 4.31Å; W27-M99 HydrophobicContact CH2-SD 3.55Å; W27-M99 VanDerWaalsContact CH2-SD 3.55Å; W27-M99 HydrophobicContact CZ2-SD 4.33Å; W27-M99 HydrophobicContact CZ3-SD 4.26Å; P37-M99 HydrophobicContact CG-SD 4.23Å; F78-M99 HydrophobicContact CE2-CE 4.3Å; F78-M99 HydrophobicContact CE2-SD 4.32Å; F78-M99 HydrophobicContact CZ-CE 4.05Å; A87-M99 HydrophobicContact CB-CE 4.12Å; F95-M99 HydrophobicContact CD1-CG 4.15Å; F95-M99 HydrophobicContact CE1-CG 3.83Å; F95-M99 HydrophobicContact CE1-SD 4.36Å; F95-M99 HydrophobicContact CZ-CG 4.23Å; F95-M99 HydrophobicContact CZ-SD 4.24Å; F95-M99 WeakPolarHBondContact O-CG 3.47Å; F95-M99 PolarHBondContact O-N 3.42Å; R96-M99 PolarHBondContact O-N 3.44Å; H97-M99 VanDerWaalsContact C-N 3.31Å; H97-M99 PolarHBondContact O-N 3.48Å; M99-D101 VanDerWaalsContact C-N 3.35Å; M99-I102 WeakPolarHBondContact O-CG2 3.33Å; M99-E103 WeakPolarHBondContact O-CB 3.15Å; M99-E103 VanDerWaalsContact O-CG 3.22Å; M99-E103 WeakPolarHBondContact O-CG 3.24Å; M99-E103 PolarHBondContact O-N 3.4Å
100	T	92	Very high	88.1	Confident	84 Å²	84	67 Å²	67	52%	0.515	36%	0.358	S	S	.	.	H	α-helix	trans	-67.3	-33.9	174.7	-56.6	0	0	0	0	112.4	R96 H97 E103 K104	R96-T100 PolarHBondContact O-N 3.25Å; R96-T100 PolarHBondContact O-OG1 2.67Å; H97-T100 PolarHBondContact O-N 3.1Å; H97-T100 VanDerWaalsContact O-N 3.15Å; T100-E103 PolarHBondContact O-N 3.35Å; T100-K104 WeakPolarHBondContact O-CB 3.28Å; T100-K104 PolarHBondContact O-N 3.36Å
101	D	92.9	Very high	89	Confident	8 Å²	8	70 Å²	70	4%	0.043	37%	0.371	C	S	.	.	H	α-helix	trans	-70.5	-40.2	179.2	-168.5	54.3	0	0	0	111.5	F62 G63 R65 H97 M99 Y105	F62-D101 HydrophobicContact CB-CB 4.26Å; F62-D101 HydrophobicContact CD1-CB 4.45Å; G63-D101 PolarHBondContact N-OD2 3.06Å; R65-D101 IonicContact CZ-OD1 3.02Å; R65-D101 IonicContact NE-OD1 3.59Å; R65-D101 IonicContact NH2-OD1 2.76Å; R65-D101 PolarHBondContact NH2-OD1 3.39Å; R65-D101 VanDerWaalsContact NH2-OD1 3.16Å; H97-D101 WeakPolarHBondContact O-CB 3.08Å; H97-D101 PolarHBondContact O-N 3.26Å; M99-D101 VanDerWaalsContact C-N 3.35Å; D101-Y105 WeakPolarHBondContact O-CB 3.47Å; D101-Y105 PolarHBondContact O-N 3.42Å
102	I	93.9	Very high	89.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-71.3	-33.9	171.3	-168.4	167.9	0	0	0	112.8	L25 P37 F62 F78 A98 M99 Y105 I106	L25-I102 HydrophobicContact CB-CD1 4.38Å; L25-I102 HydrophobicContact CD1-CD1 4.24Å; L25-I102 HydrophobicContact CD1-CG1 4.19Å; L25-I102 HydrophobicContact CD2-CD1 3.98Å; L25-I102 HydrophobicContact CD2-CG1 4.21Å; L25-I102 HydrophobicContact CG-CD1 4.44Å; P37-I102 HydrophobicContact CB-CB 4.3Å; P37-I102 HydrophobicContact CB-CD1 3.82Å; P37-I102 HydrophobicContact CB-CG2 3.94Å; P37-I102 HydrophobicContact CG-CG2 4.43Å; F62-I102 HydrophobicContact CB-CB 4.16Å; F62-I102 HydrophobicContact CD1-CB 4.03Å; F62-I102 HydrophobicContact CD2-CB 3.66Å; F62-I102 HydrophobicContact CD2-CD1 3.69Å; F62-I102 HydrophobicContact CD2-CG1 3.76Å; F62-I102 HydrophobicContact CE1-CB 4.36Å; F62-I102 HydrophobicContact CE1-CG1 4.45Å; F62-I102 HydrophobicContact CE2-CB 4.02Å; F62-I102 HydrophobicContact CE2-CD1 3.6Å; F62-I102 HydrophobicContact CE2-CG1 3.62Å; F62-I102 HydrophobicContact CG-CB 3.67Å; F62-I102 HydrophobicContact CG-CG1 4.24Å; F62-I102 HydrophobicContact CZ-CB 4.35Å; F62-I102 HydrophobicContact CZ-CD1 4.43Å; F62-I102 HydrophobicContact CZ-CG1 3.99Å; F78-I102 HydrophobicContact CD1-CD1 3.94Å; F78-I102 HydrophobicContact CD2-CD1 3.79Å; F78-I102 HydrophobicContact CE1-CD1 3.9Å; F78-I102 HydrophobicContact CE1-CG1 4.27Å; F78-I102 HydrophobicContact CE1-CG2 4.38Å; F78-I102 HydrophobicContact CE2-CD1 3.78Å; F78-I102 HydrophobicContact CE2-CG2 4.14Å; F78-I102 HydrophobicContact CG-CD1 3.88Å; F78-I102 HydrophobicContact CZ-CD1 3.83Å; F78-I102 HydrophobicContact CZ-CG1 4.29Å; F78-I102 HydrophobicContact CZ-CG2 3.7Å; A98-I102 WeakPolarHBondContact O-CG2 3.4Å; A98-I102 PolarHBondContact O-N 2.97Å; A98-I102 VanDerWaalsContact O-N 3.1Å; M99-I102 WeakPolarHBondContact O-CG2 3.33Å; I102-Y105 PolarHBondContact O-N 2.85Å; I102-I106 HydrophobicContact CG1-CD1 4.47Å; I102-I106 VanDerWaalsContact O-CG1 3.31Å; I102-I106 WeakPolarHBondContact O-CG1 3.47Å; I102-I106 PolarHBondContact O-N 3.32Å; I102-I106 VanDerWaalsContact O-N 3.1Å
103	E	92.1	Very high	90.2	Very high	90 Å²	90	59.2 Å²	59.2	42%	0.421	32%	0.318	S	S	.	.	H	α-helix	trans	-64.2	-46	172.6	-75.8	167	174.7	0	0	110.8	M99 T100 Y105 I106 D107	M99-E103 WeakPolarHBondContact O-CB 3.15Å; M99-E103 VanDerWaalsContact O-CG 3.22Å; M99-E103 WeakPolarHBondContact O-CG 3.24Å; M99-E103 PolarHBondContact O-N 3.4Å; T100-E103 PolarHBondContact O-N 3.35Å; E103-Y105 VanDerWaalsContact C-N 3.32Å; E103-Y105 PolarHBondContact O-N 2.59Å; E103-I106 WeakPolarHBondContact O-CB 3.27Å; E103-I106 PolarHBondContact O-N 3.02Å; E103-I106 VanDerWaalsContact O-N 3.14Å; E103-D107 PolarHBondContact O-N 3.4Å
104	K	92.2	Very high	90.3	Very high	101 Å²	101	61.8 Å²	61.8	44%	0.439	32%	0.32	S	S	.	.	H	α-helix	trans	-58.3	-42.4	173.6	-170.6	-168.7	178.6	-167.6	0	111.8	T100 I106 D107 D108 E111	T100-K104 WeakPolarHBondContact O-CB 3.28Å; T100-K104 PolarHBondContact O-N 3.36Å; K104-I106 VanDerWaalsContact C-N 3.3Å; K104-I106 PolarHBondContact O-N 3.4Å; K104-D107 PolarHBondContact O-N 3.37Å; K104-D108 PolarHBondContact O-N 2.6Å; K104-E111 IonicContact NZ-OE2 2.6Å; K104-E111 PolarHBondContact NZ-OE2 3.28Å
105	Y	93.5	Very high	90.1	Very high	20 Å²	20	62.3 Å²	62.3	8%	0.078	31%	0.313	C	S	.	.	H	α-helix	trans	-63.8	-31.9	177.1	175	-98.8	0	0	0	113.8	L25 M39 F62 D101 I102 E103 D107 D108 P109 V112	L25-Y105 HydrophobicContact CD1-CD1 4.32Å; L25-Y105 HydrophobicContact CD1-CE1 4.45Å; L25-Y105 HydrophobicContact CD2-CD1 3.87Å; L25-Y105 HydrophobicContact CD2-CE1 3.73Å; L25-Y105 HydrophobicContact CG-CE1 4.4Å; M39-Y105 HydrophobicContact CE-CE2 4.27Å; M39-Y105 HydrophobicContact SD-CE1 3.82Å; M39-Y105 HydrophobicContact SD-CE2 4.3Å; M39-Y105 VanDerWaalsContact SD-CZ 3.5Å; M39-Y105 PolarHBondContact SD-OH 3Å; F62-Y105 HydrophobicContact CE1-CD1 4.07Å; F62-Y105 HydrophobicContact CE1-CD2 4.24Å; F62-Y105 AromaticContact CE1-CG 3.67Å; F62-Y105 HydrophobicContact CE1-CG 3.67Å; F62-Y105 AromaticContact CZ-CD1 3.68Å; F62-Y105 HydrophobicContact CZ-CD1 3.68Å; F62-Y105 HydrophobicContact CZ-CD2 4.46Å; F62-Y105 HydrophobicContact CZ-CE1 4.29Å; F62-Y105 AromaticContact CZ-CG 3.78Å; F62-Y105 HydrophobicContact CZ-CG 3.78Å; D101-Y105 WeakPolarHBondContact O-CB 3.47Å; D101-Y105 PolarHBondContact O-N 3.42Å; I102-Y105 PolarHBondContact O-N 2.85Å; E103-Y105 VanDerWaalsContact C-N 3.32Å; E103-Y105 PolarHBondContact O-N 2.59Å; Y105-D107 VanDerWaalsContact C-N 3.32Å; Y105-D108 CarbonylContact O-C 3.52Å; Y105-P109 HydrophobicContact CD2-CB 3.82Å; Y105-P109 HydrophobicContact CE2-CB 3.38Å; Y105-V112 HydrophobicContact CD2-CB 3.63Å; Y105-V112 HydrophobicContact CD2-CG1 4.09Å; Y105-V112 HydrophobicContact CD2-CG2 3.92Å; Y105-V112 HydrophobicContact CE2-CB 4.05Å; Y105-V112 HydrophobicContact CE2-CG1 4.35Å
106	I	92.1	Very high	89.8	Confident	81 Å²	81	62.5 Å²	62.5	42%	0.415	31%	0.314	S	S	.	.	H	α-helix	trans	-68.4	-34.3	175.3	-71.3	163	0	0	0	111	L25 F78 I102 E103 K104	L25-I106 HydrophobicContact CD1-CD1 3.88Å; L25-I106 HydrophobicContact CD1-CG1 3.58Å; F78-I106 HydrophobicContact CE1-CD1 4.05Å; I102-I106 HydrophobicContact CG1-CD1 4.47Å; I102-I106 VanDerWaalsContact O-CG1 3.31Å; I102-I106 WeakPolarHBondContact O-CG1 3.47Å; I102-I106 PolarHBondContact O-N 3.32Å; I102-I106 VanDerWaalsContact O-N 3.1Å; E103-I106 WeakPolarHBondContact O-CB 3.27Å; E103-I106 PolarHBondContact O-N 3.02Å; E103-I106 VanDerWaalsContact O-N 3.14Å; K104-I106 VanDerWaalsContact C-N 3.3Å; K104-I106 PolarHBondContact O-N 3.4Å
107	D	90.3	Very high	89.6	Confident	145 Å²	145	58.7 Å²	58.7	78%	0.775	31%	0.306	S	S	*	.	H	α-helix	trans	-82.4	-42.5	178.6	-69.4	-23.1	0	0	0	112.7	E103 K104 Y105	E103-D107 PolarHBondContact O-N 3.4Å; K104-D107 PolarHBondContact O-N 3.37Å; Y105-D107 VanDerWaalsContact C-N 3.32Å
108	D	90.3	Very high	89.1	Confident	88 Å²	88	60.7 Å²	60.7	47%	0.471	31%	0.313	S	S	.	.			trans	-141.4	103.4	176.1	-178.9	7.5	0	0	0	111.2	K104 Y105 A110	K104-D108 PolarHBondContact O-N 2.6Å; Y105-D108 CarbonylContact O-C 3.52Å; D108-A110 VanDerWaalsContact C-N 3.34Å; D108-A110 PolarHBondContact O-N 3.33Å; D108-A110 WeakPolarHBondContact OD1-CB 3.43Å; D108-A110 PolarHBondContact OD1-N 2.89Å; D108-A110 VanDerWaalsContact OD1-N 3.08Å
109	P	90.5	Very high	88.3	Confident	53 Å²	53	62.9 Å²	62.9	34%	0.344	33%	0.328	S	S	.	.			trans	-79.6	-12.5	-177.6	31.5	-35.5	0	0	0	114.2	Y105 E111 V112 D113	Y105-P109 HydrophobicContact CD2-CB 3.82Å; Y105-P109 HydrophobicContact CE2-CB 3.38Å; P109-E111 PolarHBondContact O-N 2.84Å; P109-V112 PolarHBondContact O-N 2.85Å; P109-D113 WeakPolarHBondContact O-CB 3.42Å; P109-D113 PolarHBondContact O-N 2.79Å
110	A	85.7	Confident	87.2	Confident	57 Å²	57	63.1 Å²	63.1	47%	0.471	33%	0.332	S	S	.	.	H	α-helix	trans	-60.7	-44.5	-161.9	0	0	0	0	0	113.8	D108 V112 E114	D108-A110 VanDerWaalsContact C-N 3.34Å; D108-A110 PolarHBondContact O-N 3.33Å; D108-A110 WeakPolarHBondContact OD1-CB 3.43Å; D108-A110 PolarHBondContact OD1-N 2.89Å; D108-A110 VanDerWaalsContact OD1-N 3.08Å; A110-V112 PolarHBondContact O-N 2.72Å; A110-E114 WeakPolarHBondContact O-CB 3.39Å; A110-E114 PolarHBondContact O-N 3.19Å
111	E	86.6	Confident	85.4	Confident	79 Å²	79	60.5 Å²	60.5	37%	0.369	32%	0.322	S	S	.	.	H	α-helix	trans	-60.5	-45.7	-179.3	-172	-160.7	133.7	0	0	112.2	R65 K104 P109 Q115	R65-E111 IonicContact CZ-OE1 3.06Å; R65-E111 VanDerWaalsContact CZ-OE1 3.25Å; R65-E111 IonicContact NH1-OE1 2.66Å; R65-E111 PolarHBondContact NH1-OE1 3.04Å; R65-E111 IonicContact NH2-OE1 3.53Å; R65-E111 PolarHBondContact NH2-OE1 2.78Å; K104-E111 IonicContact NZ-OE2 2.6Å; K104-E111 PolarHBondContact NZ-OE2 3.28Å; P109-E111 PolarHBondContact O-N 2.84Å; E111-Q115 PolarHBondContact O-N 3.17Å
112	V	87	Confident	83	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.03	35%	0.348	C	S	.	.	H	α-helix	trans	-77.3	-39.4	-176.7	-176.7	0	0	0	0	110.6	M39 F60 F62 Y105 P109 A110 E114 Q115 V116	M39-V112 HydrophobicContact CE-CG1 4.42Å; F60-V112 HydrophobicContact CD1-CG1 4.33Å; F60-V112 HydrophobicContact CE1-CG1 3.54Å; F60-V112 HydrophobicContact CZ-CG1 3.75Å; F62-V112 HydrophobicContact CE1-CG1 4.21Å; Y105-V112 HydrophobicContact CD2-CB 3.63Å; Y105-V112 HydrophobicContact CD2-CG1 4.09Å; Y105-V112 HydrophobicContact CD2-CG2 3.92Å; Y105-V112 HydrophobicContact CE2-CB 4.05Å; Y105-V112 HydrophobicContact CE2-CG1 4.35Å; P109-V112 PolarHBondContact O-N 2.85Å; A110-V112 PolarHBondContact O-N 2.72Å; V112-E114 VanDerWaalsContact C-N 3.34Å; V112-E114 PolarHBondContact O-N 2.99Å; V112-Q115 PolarHBondContact O-N 2.76Å; V112-V116 HydrophobicContact CG1-CG2 4.2Å; V112-V116 WeakPolarHBondContact O-CB 3.38Å; V112-V116 VanDerWaalsContact O-CG2 3.31Å; V112-V116 WeakPolarHBondContact O-CG2 3.39Å; V112-V116 PolarHBondContact O-N 2.94Å
113	D	88.6	Confident	80.3	Confident	26 Å²	26	69.4 Å²	69.4	14%	0.139	39%	0.386	C	S	.	.	H	α-helix	trans	-60.2	-42.6	174.3	-94.4	-20.9	0	0	0	111.5	K23 P109 V116 N117	K23-D113 WeakPolarHBondContact CE-OD1 3.09Å; K23-D113 IonicContact NZ-OD1 2.7Å; K23-D113 PolarHBondContact NZ-OD1 2.76Å; K23-D113 IonicContact NZ-OD2 2.67Å; K23-D113 PolarHBondContact NZ-OD2 3.26Å; P109-D113 WeakPolarHBondContact O-CB 3.42Å; P109-D113 PolarHBondContact O-N 2.79Å; D113-V116 PolarHBondContact O-N 3.12Å; D113-N117 VanDerWaalsContact O-CB 3.25Å; D113-N117 WeakPolarHBondContact O-CB 3.21Å; D113-N117 PolarHBondContact O-N 3.32Å; D113-N117 PolarHBondContact O-ND2 2.78Å; D113-N117 VanDerWaalsContact O-ND2 3.09Å
114	E	85.8	Confident	77.6	Confident	109 Å²	109	72.3 Å²	72.3	51%	0.509	41%	0.405	S	S	.	.	H	α-helix	trans	-62.3	-44	175.9	-168.3	-171.4	159.2	0	0	111.5	A110 V112 K118	A110-E114 WeakPolarHBondContact O-CB 3.39Å; A110-E114 PolarHBondContact O-N 3.19Å; V112-E114 VanDerWaalsContact C-N 3.34Å; V112-E114 PolarHBondContact O-N 2.99Å; E114-K118 WeakPolarHBondContact O-CG 3.44Å; E114-K118 PolarHBondContact O-N 2.96Å; E114-K118 WeakPolarHBondContact OE1-CE 3.47Å; E114-K118 IonicContact OE1-NZ 2.61Å; E114-K118 PolarHBondContact OE1-NZ 2.89Å
115	Q	83.5	Confident	75	Confident	68 Å²	68	76.2 Å²	76.2	32%	0.318	42%	0.424	S	S	.	.	H	α-helix	trans	-64.4	-46.4	177.3	-177.3	170.9	2.7	0	0	112.2	R65 E111 V112 K118 S119	R65-Q115 VanDerWaalsContact CD-OE1 3.24Å; E111-Q115 PolarHBondContact O-N 3.17Å; V112-Q115 PolarHBondContact O-N 2.76Å; Q115-K118 PolarHBondContact O-N 3.28Å; Q115-S119 PolarHBondContact O-N 2.83Å; Q115-S119 VanDerWaalsContact O-N 3.16Å; Q115-S119 PolarHBondContact O-OG 2.8Å
116	V	84.9	Confident	72.2	Confident	8 Å²	8	77.7 Å²	77.7	5%	0.048	44%	0.44	C	S	.	.	H	α-helix	trans	-61.9	-45.8	177.4	169	0	0	0	0	110.3	M39 V41 F60 F67 V112 D113 K118 S119 C120	M39-V116 HydrophobicContact CE-CG2 4.18Å; V41-V116 HydrophobicContact CB-CG1 4.17Å; V41-V116 HydrophobicContact CG1-CG1 3.75Å; V41-V116 HydrophobicContact CG1-CG2 4.49Å; F60-V116 HydrophobicContact CD1-CG2 4.49Å; F60-V116 HydrophobicContact CD2-CG2 3.87Å; F60-V116 HydrophobicContact CE2-CG2 4.06Å; F60-V116 HydrophobicContact CG-CG2 4.08Å; F60-V116 HydrophobicContact CZ-CG2 4.46Å; F67-V116 HydrophobicContact CE1-CG2 4.49Å; F67-V116 HydrophobicContact CZ-CG2 4.45Å; V112-V116 HydrophobicContact CG1-CG2 4.2Å; V112-V116 WeakPolarHBondContact O-CB 3.38Å; V112-V116 VanDerWaalsContact O-CG2 3.31Å; V112-V116 WeakPolarHBondContact O-CG2 3.39Å; V112-V116 PolarHBondContact O-N 2.94Å; D113-V116 PolarHBondContact O-N 3.12Å; V116-K118 VanDerWaalsContact C-N 3.3Å; V116-K118 PolarHBondContact O-N 3.43Å; V116-S119 PolarHBondContact O-N 2.95Å; V116-S119 VanDerWaalsContact O-N 3.08Å; V116-C120 WeakPolarHBondContact O-CB 3.22Å; V116-C120 PolarHBondContact O-N 3.33Å; V116-C120 PolarHBondContact O-SG 3.13Å
117	N	84.2	Confident	69.8	Low	82 Å²	82	77.4 Å²	77.4	44%	0.439	44%	0.442	S	S	.	.	H	α-helix	trans	-61.1	-36.4	177.5	-71.1	-25.2	0	0	0	112.7	D113 G121	D113-N117 VanDerWaalsContact O-CB 3.25Å; D113-N117 WeakPolarHBondContact O-CB 3.21Å; D113-N117 PolarHBondContact O-N 3.32Å; D113-N117 PolarHBondContact O-ND2 2.78Å; D113-N117 VanDerWaalsContact O-ND2 3.09Å; N117-G121 CarbonylContact O-C 3.4Å; N117-G121 WeakPolarHBondContact O-CA 3.36Å; N117-G121 PolarHBondContact O-N 3.46Å
118	K	81	Confident	67.4	Low	149 Å²	149	78.3 Å²	78.3	65%	0.648	44%	0.442	S	S	*	.	H	α-helix	trans	-63.9	-38	173.5	-75.7	171.1	-175.8	169.3	0	112.3	E114 Q115 V116	E114-K118 WeakPolarHBondContact O-CG 3.44Å; E114-K118 PolarHBondContact O-N 2.96Å; E114-K118 WeakPolarHBondContact OE1-CE 3.47Å; E114-K118 IonicContact OE1-NZ 2.61Å; E114-K118 PolarHBondContact OE1-NZ 2.89Å; Q115-K118 PolarHBondContact O-N 3.28Å; V116-K118 VanDerWaalsContact C-N 3.3Å; V116-K118 PolarHBondContact O-N 3.43Å
119	S	75.1	Confident	65.4	Low	46 Å²	46	76.5 Å²	76.5	32%	0.322	44%	0.44	S	S	.	.	H	α-helix	trans	-76.2	-39.8	176.4	-58	0	0	0	0	113.3	P44 Q115 V116 G121	P44-S119 WeakPolarHBondContact CA-O 3.28Å; P44-S119 WeakPolarHBondContact CB-O 3.43Å; Q115-S119 PolarHBondContact O-N 2.83Å; Q115-S119 VanDerWaalsContact O-N 3.16Å; Q115-S119 PolarHBondContact O-OG 2.8Å; V116-S119 PolarHBondContact O-N 2.95Å; V116-S119 VanDerWaalsContact O-N 3.08Å; S119-G121 VanDerWaalsContact C-N 3.29Å; S119-G121 PolarHBondContact O-N 3.26Å
120	C	68.5	Low	63.5	Low	26 Å²	26	76.4 Å²	76.4	18%	0.176	44%	0.436	C	S	.	.	H	α-helix	trans	-72.9	-20.9	179.8	-64.2	0	0	0	0	113.4	D42 V116	D42-C120 PolarHBondContact O-SG 2.63Å; V116-C120 WeakPolarHBondContact O-CB 3.22Å; V116-C120 PolarHBondContact O-N 3.33Å; V116-C120 PolarHBondContact O-SG 3.13Å
121	G	54.7	Low	61.7	Low	29 Å²	29	79.9 Å²	79.9	30%	0.299	44%	0.441	S	S	.	.			trans	80	144.1	-165.7	0	0	0	0	0	110.9	N117 S119	N117-G121 CarbonylContact O-C 3.4Å; N117-G121 WeakPolarHBondContact O-CA 3.36Å; N117-G121 PolarHBondContact O-N 3.46Å; S119-G121 VanDerWaalsContact C-N 3.29Å; S119-G121 PolarHBondContact O-N 3.26Å
122	A	42.5	Very low	60.2	Low	71 Å²	71	78.8 Å²	78.8	59%	0.587	44%	0.438	S	S	*	.			trans	-61.3	145.9	172.9	0	0	0	0	0	110.3	N124	A122-N124 PolarHBondContact O-N 3.36Å
123	P	36.8	Very low	58.7	Low	125 Å²	125	84.3 Å²	84.3	81%	0.812	46%	0.461	S	S	*	.			trans	-73.7	71.7	-178	31.7	-36.4	0	0	0	111.8	H125	P123-H125 VanDerWaalsContact C-N 3.34Å
124	N	35.4	Very low	57.2	Low	151 Å²	151	89.4 Å²	89.4	81%	0.807	49%	0.487	S	S	*	.			trans	-93.5	12.3	175	-79.3	-0	0	0	0	112.9	A122	A122-N124 PolarHBondContact O-N 3.36Å
125	H	38.6	Very low	55.1	Low	182 Å²	182	91.9 Å²	91.9	84%	0.843	49%	0.492	S	S	*	.	S	Bend	trans	-89.7	111.7	166.3	-81.9	-66.6	0	0	0	109.6	P123 T127	P123-H125 VanDerWaalsContact C-N 3.34Å; H125-T127 PolarHBondContact O-N 3.42Å
126	A	33.4	Very low	53.8	Low	51 Å²	51	93.3 Å²	93.3	42%	0.421	50%	0.501	S	S	.	.			trans	-48.8	129.4	169.6	0	0	0	0	0	110	D130 F131	A126-D130 HydrophobicContact CB-CB 4.09Å; A126-F131 HydrophobicContact CB-CD2 4.16Å; A126-F131 HydrophobicContact CB-CE2 3.83Å
127	T	42.6	Very low	51.5	Low	75 Å²	75	95.7 Å²	95.7	46%	0.46	53%	0.527	S	S	.	.			trans	-71	163.4	-179	67	0	0	0	0	110.5	H125 A129 D130 F131	H125-T127 PolarHBondContact O-N 3.42Å; T127-A129 PolarHBondContact O-N 3.37Å; T127-A129 VanDerWaalsContact O-N 3.16Å; T127-A129 PolarHBondContact OG1-N 3.19Å; T127-D130 WeakPolarHBondContact CB-OD2 3.25Å; T127-D130 PolarHBondContact N-OD2 2.95Å; T127-D130 WeakPolarHBondContact O-CA 3.36Å; T127-D130 WeakPolarHBondContact O-CB 3.36Å; T127-D130 PolarHBondContact O-N 3.49Å; T127-D130 PolarHBondContact OG1-N 2.91Å; T127-D130 PolarHBondContact OG1-OD2 2.84Å; T127-F131 PolarHBondContact O-N 3.36Å
128	E	39	Very low	49.6	Very low	164 Å²	164	98.3 Å²	98.3	77%	0.766	54%	0.541	S	S	*	.	H	α-helix	trans	-55.9	-31.5	171.9	-160.3	169.5	-156.3	0	0	111	D130 F131 D132	E128-D130 PolarHBondContact O-N 3Å; E128-F131 PolarHBondContact O-N 3.15Å; E128-D132 WeakPolarHBondContact O-CB 3.38Å; E128-D132 VanDerWaalsContact O-CG 3.23Å; E128-D132 PolarHBondContact O-N 2.79Å
129	A	48.6	Very low	47.5	Very low	51 Å²	51	99 Å²	99	42%	0.421	55%	0.551	S	S	.	*	H	α-helix	trans	-73.1	-18.9	172.9	0	0	0	0	0	114.6	T127 K133	T127-A129 PolarHBondContact O-N 3.37Å; T127-A129 VanDerWaalsContact O-N 3.16Å; T127-A129 PolarHBondContact OG1-N 3.19Å; A129-K133 WeakPolarHBondContact O-CE 3.46Å; A129-K133 VanDerWaalsContact O-CG 3.29Å; A129-K133 WeakPolarHBondContact O-CG 3.38Å; A129-K133 PolarHBondContact O-N 3.1Å
130	D	51.4	Low	45.8	Very low	51 Å²	51	102.5 Å²	102.5	27%	0.273	58%	0.576	S	S	.	*	H	α-helix	trans	-86.8	-34.6	172.1	-56.9	-49.8	0	0	0	110.7	A126 T127 E128 D132 K133 I134	A126-D130 HydrophobicContact CB-CB 4.09Å; T127-D130 WeakPolarHBondContact CB-OD2 3.25Å; T127-D130 PolarHBondContact N-OD2 2.95Å; T127-D130 WeakPolarHBondContact O-CA 3.36Å; T127-D130 WeakPolarHBondContact O-CB 3.36Å; T127-D130 PolarHBondContact O-N 3.49Å; T127-D130 PolarHBondContact OG1-N 2.91Å; T127-D130 PolarHBondContact OG1-OD2 2.84Å; E128-D130 PolarHBondContact O-N 3Å; D130-D132 VanDerWaalsContact C-N 3.33Å; D130-K133 PolarHBondContact O-N 3.28Å; D130-K133 IonicContact OD1-NZ 3.25Å; D130-K133 PolarHBondContact OD1-NZ 3.38Å; D130-I134 VanDerWaalsContact O-CG1 3.32Å; D130-I134 WeakPolarHBondContact O-CG1 3.45Å; D130-I134 PolarHBondContact O-N 3.33Å; D130-I134 VanDerWaalsContact O-N 3.11Å
131	F	47.1	Very low	44.2	Very low	130 Å²	130	109.9 Å²	109.9	57%	0.57	61%	0.608	S	S	*	*	H	α-helix	trans	-64.1	-36.6	165.8	-81.6	-79.1	0	0	0	112.4	A126 T127 E128 I134 R135	A126-F131 HydrophobicContact CB-CD2 4.16Å; A126-F131 HydrophobicContact CB-CE2 3.83Å; T127-F131 PolarHBondContact O-N 3.36Å; E128-F131 PolarHBondContact O-N 3.15Å; F131-I134 PolarHBondContact O-N 3.01Å; F131-R135 VanDerWaalsContact O-CB 3.29Å; F131-R135 WeakPolarHBondContact O-CB 2.91Å; F131-R135 PolarHBondContact O-N 3.18Å
132	D	56.2	Low	43.2	Very low	56 Å²	56	117 Å²	117	30%	0.299	63%	0.633	S	S	.	*	H	α-helix	trans	-62.4	-44.3	172.5	-75.4	-20.7	0	0	0	111.5	E128 D130 I134 R135 D136	E128-D132 WeakPolarHBondContact O-CB 3.38Å; E128-D132 VanDerWaalsContact O-CG 3.23Å; E128-D132 PolarHBondContact O-N 2.79Å; D130-D132 VanDerWaalsContact C-N 3.33Å; D132-I134 VanDerWaalsContact C-N 3.33Å; D132-I134 PolarHBondContact O-N 3.36Å; D132-R135 PolarHBondContact O-N 2.76Å; D132-R135 IonicContact OD1-CZ 3.88Å; D132-R135 IonicContact OD1-NH1 3.63Å; D132-R135 PolarHBondContact OD1-NH1 2.92Å; D132-R135 IonicContact OD1-NH2 2.87Å; D132-R135 PolarHBondContact OD1-NH2 3.12Å; D132-D136 VanDerWaalsContact O-CB 3.24Å; D132-D136 WeakPolarHBondContact O-CB 3.35Å; D132-D136 PolarHBondContact O-N 2.67Å
133	K	55.7	Low	42.8	Very low	121 Å²	121	121.9 Å²	121.9	53%	0.526	65%	0.648	S	S	.	*	H	α-helix	trans	-61.1	-39.5	175.6	-69.8	164.7	-158.9	160	0	112.8	A129 D130 G137	A129-K133 WeakPolarHBondContact O-CE 3.46Å; A129-K133 VanDerWaalsContact O-CG 3.29Å; A129-K133 WeakPolarHBondContact O-CG 3.38Å; A129-K133 PolarHBondContact O-N 3.1Å; D130-K133 PolarHBondContact O-N 3.28Å; D130-K133 IonicContact OD1-NZ 3.25Å; D130-K133 PolarHBondContact OD1-NZ 3.38Å; K133-G137 PolarHBondContact O-N 3.21Å
134	I	55.4	Low	42.7	Very low	133 Å²	133	122.6 Å²	122.6	68%	0.682	65%	0.649	S	S	*	*	H	α-helix	trans	-70.2	-37.5	177	-66.8	165.2	0	0	0	110.9	D130 F131 D132	D130-I134 VanDerWaalsContact O-CG1 3.32Å; D130-I134 WeakPolarHBondContact O-CG1 3.45Å; D130-I134 PolarHBondContact O-N 3.33Å; D130-I134 VanDerWaalsContact O-N 3.11Å; F131-I134 PolarHBondContact O-N 3.01Å; D132-I134 VanDerWaalsContact C-N 3.33Å; D132-I134 PolarHBondContact O-N 3.36Å
135	R	42.2	Very low	42.7	Very low	161 Å²	161	118.5 Å²	118.5	61%	0.608	64%	0.643	S	S	*	*	H	α-helix	trans	-72	-36.8	177.8	-173.3	-169.7	65.6	-131.2	-12.2	112.5	F131 D132 G137	F131-R135 VanDerWaalsContact O-CB 3.29Å; F131-R135 WeakPolarHBondContact O-CB 2.91Å; F131-R135 PolarHBondContact O-N 3.18Å; D132-R135 PolarHBondContact O-N 2.76Å; D132-R135 IonicContact OD1-CZ 3.88Å; D132-R135 IonicContact OD1-NH1 3.63Å; D132-R135 PolarHBondContact OD1-NH1 2.92Å; D132-R135 IonicContact OD1-NH2 2.87Å; D132-R135 PolarHBondContact OD1-NH2 3.12Å; R135-G137 VanDerWaalsContact C-N 3.29Å; R135-G137 PolarHBondContact O-N 2.77Å
136	D	56.1	Low	42.6	Very low	98 Å²	98	118.7 Å²	118.7	52%	0.524	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.6	8	-172	-60.4	-6.3	0	0	0	112.5	D132 L138	D132-D136 VanDerWaalsContact O-CB 3.24Å; D132-D136 WeakPolarHBondContact O-CB 3.35Å; D132-D136 PolarHBondContact O-N 2.67Å; D136-L138 PolarHBondContact O-N 2.95Å
137	G	37.9	Very low	42.8	Very low	57 Å²	57	125.3 Å²	125.3	59%	0.588	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.8	31.1	160.6	0	0	0	0	0	115.8	K133 R135 D139	K133-G137 PolarHBondContact O-N 3.21Å; R135-G137 VanDerWaalsContact C-N 3.29Å; R135-G137 PolarHBondContact O-N 2.77Å; G137-D139 PolarHBondContact O-N 3.36Å
138	L	43.7	Very low	42.4	Very low	138 Å²	138	125.9 Å²	125.9	72%	0.723	68%	0.679	S	S	*	*			trans	-98.2	85.7	-179.9	-67.9	174.2	0	0	0	111.3	D136 S140	D136-L138 PolarHBondContact O-N 2.95Å; L138-S140 PolarHBondContact O-N 2.65Å
139	D	36.2	Very low	42.3	Very low	163 Å²	163	124.9 Å²	124.9	87%	0.872	68%	0.684	S	S	*	*			trans	-59.8	131.3	163.1	-69.2	-45.2	0	0	0	109.9	G137	G137-D139 PolarHBondContact O-N 3.36Å
140	S	40.4	Very low	41.8	Very low	119 Å²	119	126.1 Å²	126.1	83%	0.832	69%	0.694	S	S	*	*			trans	-121.9	89.1	171.4	56.1	0	0	0	0	109.9	L138	L138-S140 PolarHBondContact O-N 2.65Å
141	E	34.8	Very low	41.2	Very low	181 Å²	181	131.8 Å²	131.8	85%	0.846	72%	0.724	S	S	*	*			trans	-69.4	178.5	158.8	-65.3	-161.9	137.9	0	0	111.2
142	E	33.9	Very low	40.9	Very low	178 Å²	178	129 Å²	129	83%	0.832	73%	0.733	S	S	*	*			trans	73.4	89.6	171.8	-56.2	-164.5	145.1	0	0	118.5
143	I	34.5	Very low	40.2	Very low	175 Å²	175	133.3 Å²	133.3	90%	0.897	76%	0.756	S	S	*	*				-129.4	113	128.8	-59.3	-175.7	0	0	0	107.9
144	V	34.8	Very low	39.5	Very low	140 Å²	140	134.8 Å²	134.8	85%	0.848	77%	0.769	S	S	*	*			trans	-129.3	141.4	178.7	174.6	0	0	0	0	109.4
145	G	34.5	Very low	38.7	Very low	65 Å²	65	131.9 Å²	131.9	67%	0.67	77%	0.772	S	S	*	*			trans	97.9	142.3	169.8	0	0	0	0	0	114.5
146	E	36.7	Very low	38.6	Very low	186 Å²	186	130.2 Å²	130.2	87%	0.869	78%	0.779	S	S	*	*			cis	-162.8	175.4	-1.3	-154.1	167	-160.9	0	0	111.4
147	E	36.6	Very low	37.9	Very low	189 Å²	189	132.1 Å²	132.1	88%	0.883	79%	0.794	S	S	*	*			trans	83.2	149.2	168.8	-56.7	-154.7	137.9	0	0	119.9
148	A	35.2	Very low	38	Very low	87 Å²	87	133.2 Å²	133.2	72%	0.719	80%	0.798	S	S	*	*			trans	-146.4	-168.9	-147.1	0	0	0	0	0	113.1
149	T	36.7	Very low	37.7	Very low	144 Å²	144	134.8 Å²	134.8	88%	0.883	80%	0.801	S	S	*	*			trans	91.4	143.4	178.8	72.3	0	0	0	0	116
150	A	38.2	Very low	37.8	Very low	76 Å²	76	133.7 Å²	133.7	63%	0.628	80%	0.8	S	S	*	*			cis	-164.3	164.2	-25.2	0	0	0	0	0	108.5
151	D	39.3	Very low	37.5	Very low	170 Å²	170	133.9 Å²	133.9	91%	0.909	80%	0.796	S	S	*	*			trans	63.5	135.9	168.5	-52.6	-26.6	0	0	0	118.5
152	G	39.3	Very low	37.6	Very low	73 Å²	73	129 Å²	129	75%	0.753	79%	0.793	S	S	*	*			cis	170.4	169.1	-9.1	0	0	0	0	0	114.4
153	N	41.6	Very low	37.9	Very low	146 Å²	146	125.6 Å²	125.6	78%	0.781	79%	0.79	S	S	*	*			trans	90.6	96	150.7	-146.1	26.8	0	0	0	122.2
154	N	41.8	Very low	38.3	Very low	152 Å²	152	123.5 Å²	123.5	81%	0.813	79%	0.787	S	S	*	*			trans	64.7	135.7	130.1	-76.7	-17.5	0	0	0	125.4
155	G	39	Very low	38.7	Very low	71 Å²	71	124.5 Å²	124.5	73%	0.732	79%	0.788	S	S	*	*			trans	141.1	60	153.6	0	0	0	0	0	117.1
156	V	39.9	Very low	38.9	Very low	126 Å²	126	130.5 Å²	130.5	76%	0.764	80%	0.798	S	S	*	*				82.6	104.7	90.5	171.9	0	0	0	0	116.4
157	V	41.5	Very low	38.8	Very low	139 Å²	139	124.9 Å²	124.9	84%	0.842	79%	0.791	S	S	*	*			trans	68.9	137.7	140.9	171.2	0	0	0	0	119.5
158	A	39.6	Very low	38.9	Very low	79 Å²	79	124.2 Å²	124.2	65%	0.653	79%	0.793	S	S	*	*			cis	-167.4	166.9	-16.1	0	0	0	0	0	111.9
159	H	36.5	Very low	39.1	Very low	172 Å²	172	123.2 Å²	123.2	80%	0.796	79%	0.792	S	S	*	*			trans	13.8	141	154.3	-78.8	-89.6	0	0	0	120.7
160	V	38.3	Very low	39.2	Very low	139 Å²	139	123.8 Å²	123.8	84%	0.842	79%	0.789	S	S	*	*				-148.5	149	69.2	161.3	0	0	0	0	112.7
161	V	35.5	Very low	39.2	Very low	124 Å²	124	126.6 Å²	126.6	75%	0.752	79%	0.793	S	S	*	*			trans	-114.9	145.2	174.2	173	0	0	0	0	109.3
162	G	36.9	Very low	39.2	Very low	77 Å²	77	124.1 Å²	124.1	79%	0.794	78%	0.784	S	S	*	*			trans	-164.9	109.7	170.3	0	0	0	0	0	111.7
163	S	40.1	Very low	39.1	Very low	108 Å²	108	129.8 Å²	129.8	76%	0.755	79%	0.791	S	S	*	*			trans	-76.4	159.5	-178.6	-54.2	0	0	0	0	113
164	P	42.4	Very low	39	Very low	130 Å²	130	129.5 Å²	129.5	84%	0.844	79%	0.788	S	S	*	*			trans	-81.5	160.5	166.2	35.8	-34.2	0	0	0	111.5
165	D	43	Very low	38.9	Very low	161 Å²	161	130.3 Å²	130.3	86%	0.861	79%	0.792	S	S	*	*			trans	-134.8	156.3	171.6	-152.8	-6.3	0	0	0	109.9
166	E	37.8	Very low	38.8	Very low	191 Å²	191	130.9 Å²	130.9	89%	0.893	79%	0.79	S	S	*	*			trans	-90	171.5	-166.5	-57.2	-173.4	132.2	0	0	114.1
167	G	36.3	Very low	38.8	Very low	69 Å²	69	132.4 Å²	132.4	71%	0.711	79%	0.794	S	S	*	*			trans	149.1	113.3	154.3	0	0	0	0	0	118.3
168	D	38.7	Very low	38.6	Very low	174 Å²	174	130 Å²	130	93%	0.93	78%	0.783	S	S	*	*			trans	57	122.6	148.8	-66.3	-17.4	0	0	0	123.1
169	G	38	Very low	38.6	Very low	67 Å²	67	132.1 Å²	132.1	69%	0.691	79%	0.793	S	S	*	*				128.9	99.4	92.6	0	0	0	0	0	120.4
170	L	39.8	Very low	38.7	Very low	156 Å²	156	128.1 Å²	128.1	82%	0.817	79%	0.79	S	S	*	*			trans	82.2	127.3	137.3	-61.7	168.6	0	0	0	122.7
171	D	38	Very low	38.5	Very low	135 Å²	135	126.8 Å²	126.8	72%	0.722	79%	0.787	S	S	*	*			trans	68.9	149.5	134.5	-59.6	-12.4	0	0	0	122.6
172	V	39.4	Very low	38.8	Very low	118 Å²	118	126.3 Å²	126.3	72%	0.715	79%	0.786	S	S	*	*			cis	-175.2	137	-34.9	133.7	0	0	0	0	105.2
173	E	37.5	Very low	38.6	Very low	192 Å²	192	128.5 Å²	128.5	90%	0.897	78%	0.784	S	S	*	*			trans	-175.2	156.8	133.3	-107.7	-171.3	169.6	0	0	113.4
174	I	38.4	Very low	38.4	Very low	140 Å²	140	130 Å²	130	72%	0.718	79%	0.788	S	S	*	*			trans	-122.9	145.8	-166	-66.3	161.5	0	0	0	108.4
175	N	39.7	Very low	38	Very low	168 Å²	168	129.3 Å²	129.3	90%	0.898	79%	0.787	S	S	*	*			trans	-160.5	146.6	136.6	-100.5	-44.2	0	0	0	112.4
176	A	37.8	Very low	37.8	Very low	84 Å²	84	127.5 Å²	127.5	69%	0.694	78%	0.784	S	S	*	*			trans	-137.8	149.8	-171.9	0	0	0	0	0	110.7
177	D	39	Very low	37.5	Very low	157 Å²	157	123 Å²	123	84%	0.84	78%	0.78	S	S	*	*			trans	-177.5	155.4	148.4	-108.4	-24.5	0	0	0	108.2
178	S	38.6	Very low	37.6	Very low	90 Å²	90	126 Å²	126	63%	0.629	78%	0.784	S	S	*	*			cis	171.7	173.5	-42.2	61.7	0	0	0	0	106.3
179	S	39.7	Very low	37.2	Very low	123 Å²	123	124 Å²	124	86%	0.86	78%	0.778	S	S	*	*			trans	87.4	151.3	169.8	83.9	0	0	0	0	118.7
180	A	37.6	Very low	37.2	Very low	88 Å²	88	127.2 Å²	127.2	73%	0.727	78%	0.784	S	S	*	*			trans	-157.9	169.4	-151	0	0	0	0	0	114.5
181	S	34.6	Very low	36.8	Very low	111 Å²	111	129.7 Å²	129.7	78%	0.776	79%	0.789	S	S	*	*			trans	79.4	172.3	152.7	-50.1	0	0	0	0	117.8
182	P	40.7	Very low	36.8	Very low	114 Å²	114	128.2 Å²	128.2	74%	0.74	80%	0.795	S	S	*	*				-143.6	-175.5	-78.6	45.5	-27.8	0	0	0	116.2
183	V	33.1	Very low	36.5	Very low	123 Å²	123	128 Å²	128	75%	0.745	81%	0.805	S	S	*	*			trans	48.3	115.1	159	-162.5	0	0	0	0	120.8
184	T	35.9	Very low	36.4	Very low	138 Å²	138	122.5 Å²	122.5	85%	0.847	80%	0.801	S	S	*	*				176.7	144.5	117.6	24.3	0	0	0	0	113.3
185	S	33.8	Very low	36.1	Very low	116 Å²	116	125.5 Å²	125.5	81%	0.811	81%	0.808	S	S	*	*			trans	-85.8	159.4	170.3	-47.7	0	0	0	0	111.8
186	P	40.6	Very low	35.9	Very low	123 Å²	123	129.3 Å²	129.3	80%	0.799	81%	0.81	S	S	*	*				-141	162.9	119.9	36.8	-24.6	0	0	0	114.7
187	A	31.1	Very low	35.8	Very low	97 Å²	97	131.5 Å²	131.5	80%	0.802	82%	0.815	S	S	*	*			trans	-76.9	145.1	177.9	0	0	0	0	0	113
188	V	38.9	Very low	36.1	Very low	132 Å²	132	130 Å²	130	80%	0.8	81%	0.814	S	S	*	*			trans	-134.5	122.4	160.9	178.2	0	0	0	0	110.6
189	T	30.1	Very low	35.9	Very low	132 Å²	132	135.3 Å²	135.3	81%	0.81	83%	0.826	S	S	*	*			trans	-79.8	129.1	176.4	-35.1	0	0	0	0	111.1
190	T	38	Very low	35.8	Very low	134 Å²	134	134.4 Å²	134.4	82%	0.822	83%	0.826	S	S	*	*			trans	-135.7	127.4	160.2	44.4	0	0	0	0	112
191	K	31.5	Very low	35.7	Very low	209 Å²	209	139.4 Å²	139.4	91%	0.909	83%	0.831	S	S	*	*			trans	-83.2	134.8	170.5	-71.1	174.2	175.3	173.9	0	109.4
192	A	36.4	Very low	35.7	Very low	104 Å²	104	139.6 Å²	139.6	86%	0.86	83%	0.832	S	S	*	*			trans	-148.6	122.8	154	0	0	0	0	0	110.4
193	A	33.7	Very low	35.6	Very low	112 Å²	112	141 Å²	141	93%	0.926	84%	0.838	S	S	*	*			trans	-90.1	141.3	174.8	0	0	0	0	0	110.4
194	G	35.9	Very low	35.8	Very low	78 Å²	78	139.2 Å²	139.2	80%	0.804	84%	0.836	S	S	*	*			trans	-164.3	88.9	-177.5	0	0	0	0	0	114.4
195	K	32.2	Very low	35.6	Very low	202 Å²	202	137.1 Å²	137.1	88%	0.878	83%	0.834	S	S	*	*			trans	-46.9	142.8	173.2	-62.6	165.6	176.5	171.4	0	113.1
196	R	35.2	Very low	35.7	Very low	249 Å²	249	138.2 Å²	138.2	94%	0.94	84%	0.836	S	S	*	*			trans	-169.2	111.9	131.3	-103.3	153.7	-164.9	-150.6	4.5	113.2
197	T	36.1	Very low	35.3	Very low	130 Å²	130	137.7 Å²	137.7	80%	0.798	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-88.4	145.9	157	41	0	0	0	0	109.9
198	P	44.9	Very low	35.7	Very low	126 Å²	126	139.4 Å²	139.4	82%	0.818	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-85.7	128	165.2	31.7	-28.7	0	0	0	110.5
199	K	34.3	Very low	35.5	Very low	201 Å²	201	142 Å²	142	87%	0.874	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-76.4	124	169.5	-75.1	178.1	173.3	179	0	109.9
200	A	36.9	Very low	35.6	Very low	103 Å²	103	141 Å²	141	85%	0.851	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-74.2	128.2	154.4	0	0	0	0	0	108.8
201	K	36.9	Very low	35.5	Very low	194 Å²	194	141 Å²	141	84%	0.843	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-77	134	177	-75.5	176.5	175.3	174.8	0	110
202	S	34.7	Very low	35.7	Very low	115 Å²	115	141.3 Å²	141.3	80%	0.804	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-69.6	137.7	154.4	49.2	0	0	0	0	109.4
203	V	38.5	Very low	35.6	Very low	142 Å²	142	140.2 Å²	140.2	86%	0.861	83%	0.834	S	S	*	*			trans	-108.5	120.5	161.5	179	0	0	0	0	106.2
204	A	35.5	Very low	35.6	Very low	86 Å²	86	140.6 Å²	140.6	71%	0.711	83%	0.83	S	S	*	*			trans	-105.4	160	-179	0	0	0	0	0	111
205	A	33.4	Very low	35.7	Very low	95 Å²	95	141.7 Å²	141.7	79%	0.785	83%	0.831	S	S	*	*			trans	69.2	104.8	161.2	0	0	0	0	0	118.4
206	T	34.1	Very low	36	Very low	139 Å²	139	141.7 Å²	141.7	85%	0.853	83%	0.831	S	S	*	*				-126.6	115.3	124.9	-46	0	0	0	0	108.4	V208	T206-V208 HydrophobicContact CG2-CG2 4.33Å
207	S	34.1	Very low	36.2	Very low	112 Å²	112	135.6 Å²	135.6	78%	0.783	83%	0.827	S	S	*	*			trans	-99	124.1	172.9	177.8	0	0	0	0	108.5
208	V	37.8	Very low	36.2	Very low	133 Å²	133	134.2 Å²	134.2	81%	0.806	83%	0.829	S	S	*	*			trans	-123.1	130.8	167.8	-177.3	0	0	0	0	108.5	T206	T206-V208 HydrophobicContact CG2-CG2 4.33Å
209	K	35.3	Very low	36.1	Very low	187 Å²	187	137.7 Å²	137.7	81%	0.813	83%	0.834	S	S	*	*			trans	-108.9	158.3	-172.6	-141.3	177.5	-172.7	178	0	108.9
210	S	33.3	Very low	36.2	Very low	111 Å²	111	137.5 Å²	137.5	78%	0.776	83%	0.833	S	S	*	*			trans	73.9	150.2	176.8	84.6	0	0	0	0	114.7
211	T	35.3	Very low	36.2	Very low	132 Å²	132	143.8 Å²	143.8	81%	0.81	84%	0.835	S	S	*	*			cis	-131.9	160.6	15.4	41	0	0	0	0	113.5
212	K	34.8	Very low	36.2	Very low	216 Å²	216	145.3 Å²	145.3	94%	0.939	84%	0.835	S	S	*	*			trans	-72.9	138	167.2	-70.9	176.8	175.9	177	0	110.1
213	G	35.9	Very low	36.2	Very low	82 Å²	82	146.5 Å²	146.5	85%	0.845	84%	0.838	S	S	*	*			trans	-144.4	119	165.9	0	0	0	0	0	110.2
214	S	33.4	Very low	36.3	Very low	119 Å²	119	145.7 Å²	145.7	83%	0.832	84%	0.839	S	S	*	*			trans	-100.2	130.8	178.3	-174	0	0	0	0	110.2
215	A	37	Very low	36.3	Very low	101 Å²	101	146.2 Å²	146.2	84%	0.835	84%	0.843	S	S	*	*			trans	-143.2	112.5	163.7	0	0	0	0	0	109.7
216	K	38.5	Very low	36.7	Very low	203 Å²	203	150.8 Å²	150.8	88%	0.883	85%	0.848	S	S	*	*			trans	-77.6	139.6	165	-67.7	172.8	176.2	174.5	0	108.3
217	S	39.1	Very low	36.9	Very low	120 Å²	120	153.2 Å²	153.2	84%	0.839	85%	0.849	S	S	*	*			trans	-132.2	134.9	143.4	87.4	0	0	0	0	109
218	A	37.7	Very low	37.3	Very low	102 Å²	102	153.6 Å²	153.6	84%	0.843	85%	0.852	S	S	*	*			trans	-131.4	123.8	175.6	0	0	0	0	0	106.3
219	Q	42.4	Very low	37.7	Very low	199 Å²	199	152.7 Å²	152.7	93%	0.93	85%	0.849	S	S	*	*			trans	-121.5	121.1	179	-156	145.8	-28.4	0	0	109.6
220	K	36.4	Very low	38	Very low	197 Å²	197	149.9 Å²	149.9	86%	0.857	85%	0.853	S	S	*	*			trans	-127.2	120.1	-167.6	-177.1	-175.3	-172.6	179.6	0	108.5
221	R	35.8	Very low	38.3	Very low	235 Å²	235	148.1 Å²	148.1	89%	0.887	85%	0.853	S	S	*	*			trans	154.9	147.9	168.7	-91.2	157.6	174.9	-166	-2.1	106.1
222	R	37	Very low	38.6	Very low	226 Å²	226	147.7 Å²	147.7	85%	0.853	85%	0.852	S	S	*	*			cis	-154	150	22.2	-142.3	167.2	179.8	171.7	-4.3	110.2
223	T	35.1	Very low	39.1	Very low	139 Å²	139	142.8 Å²	142.8	85%	0.853	85%	0.845	S	S	*	*			trans	-86.4	143.6	170.5	46.5	0	0	0	0	111.4
224	S	40.4	Very low	39.3	Very low	126 Å²	126	146.5 Å²	146.5	88%	0.881	85%	0.845	S	S	*	*			trans	-153.6	131.1	158.7	52.4	0	0	0	0	110.4
225	A	35.6	Very low	39.5	Very low	96 Å²	96	145.1 Å²	145.1	79%	0.793	84%	0.841	S	S	*	*			trans	-125.5	136.4	177.1	0	0	0	0	0	110.2
226	Q	41.4	Very low	39.7	Very low	192 Å²	192	150.9 Å²	150.9	90%	0.897	85%	0.847	S	S	*	*			trans	-153.6	112	165.6	-91.6	169.1	-31.5	0	0	104
227	Q	39.6	Very low	39.7	Very low	189 Å²	189	153 Å²	153	88%	0.883	85%	0.85	S	S	*	*				57.1	98.3	61.3	-71.4	-164.3	-4.2	0	0	115.3
228	S	41.9	Very low	39.8	Very low	121 Å²	121	151.3 Å²	151.3	85%	0.846	85%	0.851	S	S	*	*				-170.2	156.1	125	43.2	0	0	0	0	111.1
229	P	45.9	Very low	39.6	Very low	114 Å²	114	155.5 Å²	155.5	74%	0.74	85%	0.85	S	S	*	*			trans	-133.7	-173.5	-146.8	42.8	-26.5	0	0	0	117.1
230	S	42.3	Very low	39.5	Very low	127 Å²	127	157.1 Å²	157.1	89%	0.888	85%	0.848	S	S	*	*			trans	100.1	139.7	147.2	79.5	0	0	0	0	120.3
231	G	38.2	Very low	39.6	Very low	75 Å²	75	154 Å²	154	77%	0.773	84%	0.841	S	S	*	*			trans	150.6	94	175.5	0	0	0	0	0	113.2
232	P	42	Very low	39.6	Very low	122 Å²	122	149.6 Å²	149.6	79%	0.792	84%	0.84	S	S	*	*			trans	-110.3	-175.7	-174.6	40.3	-33	0	0	0	115.1
233	S	44.7	Very low	39.7	Very low	113 Å²	113	144.7 Å²	144.7	79%	0.79	84%	0.84	S	S	*	*			trans	85.3	146.2	-176.1	84.3	0	0	0	0	114.5
234	N	42	Very low	39.6	Very low	160 Å²	160	141.6 Å²	141.6	86%	0.856	84%	0.835	S	S	*	*			cis	-145.9	149.3	10.8	-148.1	-10.8	0	0	0	111.8
235	A	37.5	Very low	39.5	Very low	91 Å²	91	144.6 Å²	144.6	75%	0.752	84%	0.835	S	S	*	*			trans	-98.3	142.3	-177.7	0	0	0	0	0	112.4
236	K	41.4	Very low	39.5	Very low	221 Å²	221	144.1 Å²	144.1	96%	0.961	83%	0.832	S	S	*	*			trans	-143.7	149.6	155.6	-109.9	174.8	-174.2	177.7	0	111.2
237	R	37.5	Very low	39.3	Very low	249 Å²	249	141.6 Å²	141.6	94%	0.94	82%	0.824	S	S	*	*			trans	-129.7	130.7	-154.3	178.6	-177.3	178.9	-171.6	0.3	108.7
238	G	40.2	Very low	39.1	Very low	83 Å²	83	140 Å²	140	86%	0.856	82%	0.816	S	S	*	*			trans	-148.4	124.8	176.1	0	0	0	0	0	110.3
239	K	35.4	Very low	38.8	Very low	191 Å²	191	140.7 Å²	140.7	83%	0.83	81%	0.81	S	S	*	*			trans	-147.3	128.5	-171.8	-161.6	-169.4	-172.1	-161.7	0	109
240	R	39	Very low	38.4	Very low	232 Å²	232	139.2 Å²	139.2	88%	0.875	81%	0.808	S	S	*	*			trans	-153.8	115.6	161.2	-79.5	-177.4	-176.2	160.9	1.1	105.6
241	D	38.5	Very low	38.1	Very low	133 Å²	133	140.9 Å²	140.9	71%	0.711	81%	0.807	S	S	*	*				66.5	110.8	84	-52.5	-32	0	0	0	110.4
242	V	36.2	Very low	38.1	Very low	142 Å²	142	145.9 Å²	145.9	86%	0.861	81%	0.81	S	S	*	*			cis	88.3	93.5	31.2	-173	0	0	0	0	115.8
243	S	38	Very low	37.9	Very low	122 Å²	122	144.8 Å²	144.8	85%	0.853	81%	0.811	S	S	*	*			trans	171.1	130.4	144.9	52.1	0	0	0	0	107.6
244	G	35	Very low	37.5	Very low	74 Å²	74	144.7 Å²	144.7	76%	0.763	81%	0.811	S	S	*	*				94.1	141.5	82.8	0	0	0	0	0	111.3
245	E	37.3	Very low	37.4	Very low	189 Å²	189	141.6 Å²	141.6	88%	0.883	80%	0.801	S	S	*	*			cis	-151.1	152.6	-5.6	-62.5	-164.2	70.1	0	0	108.7
246	A	36.3	Very low	37.3	Very low	86 Å²	86	143.4 Å²	143.4	71%	0.711	80%	0.803	S	S	*	*				32.8	144.9	105.6	0	0	0	0	0	117.7
247	L	35.6	Very low	37.4	Very low	140 Å²	140	138 Å²	138	73%	0.733	79%	0.791	S	S	*	*			cis	-171.2	158.4	-10.8	-112	167.6	0	0	0	107.7
248	Q	36	Very low	37.2	Very low	155 Å²	155	133 Å²	133	72%	0.724	79%	0.788	S	S	*	*			trans	64.2	159.5	154.5	-75.1	164.1	-41.5	0	0	118.3
249	D	36.5	Very low	37.1	Very low	135 Å²	135	132.3 Å²	132.3	72%	0.722	78%	0.781	S	S	*	*			cis	-149.3	140.7	-5	-99.1	-29.6	0	0	0	107.4
250	A	36.9	Very low	36.9	Very low	83 Å²	83	135.8 Å²	135.8	69%	0.686	79%	0.789	S	S	*	*				81.1	127	94.7	0	0	0	0	0	118.8
251	D	36.9	Very low	37	Very low	162 Å²	162	136.3 Å²	136.3	87%	0.866	79%	0.791	S	S	*	*			trans	92.9	144.3	140	-76.3	-34.9	0	0	0	127.9
252	E	37.5	Very low	37	Very low	181 Å²	181	141.4 Å²	141.4	85%	0.846	80%	0.8	S	S	*	*			trans	73.3	93.4	158.9	-69.8	-168.8	156.7	0	0	125.4
253	A	37	Very low	37.4	Very low	99 Å²	99	140.1 Å²	140.1	82%	0.818	79%	0.792	S	S	*	*				41	126.2	116.1	0	0	0	0	0	123.8
254	S	37.4	Very low	37.7	Very low	111 Å²	111	141.5 Å²	141.5	78%	0.776	79%	0.785	S	S	*	*				164.2	145.3	106.3	-168.7	0	0	0	0	116.2
255	S	38.9	Very low	38.5	Very low	94 Å²	94	142.2 Å²	142.2	66%	0.657	78%	0.775	S	S	*	*			trans	57.5	93.3	152.6	58.8	0	0	0	0	123.5
256	T	36.3	Very low	39	Very low	130 Å²	130	139 Å²	139	80%	0.798	76%	0.764	S	S	*	*				19.3	160.8	115.2	60.7	0	0	0	0	122.5
257	P	42.3	Very low	39.7	Very low	107 Å²	107	137.7 Å²	137.7	70%	0.695	75%	0.753	S	S	*	*			cis	-141.2	-168.2	-42.7	39.2	-19.6	0	0	0	113.6
258	T	34	Very low	40	Very low	144 Å²	144	136 Å²	136	88%	0.883	74%	0.744	S	S	*	*			trans	81	116.4	169.7	71.7	0	0	0	0	118.9
259	G	37.3	Very low	40.4	Very low	69 Å²	69	133.7 Å²	133.7	71%	0.711	74%	0.736	S	S	*	*			trans	-169.8	97.9	168.7	0	0	0	0	0	109.1	R261	G259-R261 PolarHBondContact O-N 3Å
260	R	32.9	Very low	40.9	Very low	264 Å²	264	130 Å²	130	100%	0.996	73%	0.725	S	S	*	*			trans	-62	97.3	179.9	-76	176.7	170.2	171.4	-4	110.2
261	R	41.1	Very low	41.2	Very low	242 Å²	242	129.2 Å²	129.2	91%	0.913	71%	0.714	S	S	*	*			trans	-93.1	113.9	167.5	-110	-178.4	-179.2	176.7	1.1	110.5	G259 V263	G259-R261 PolarHBondContact O-N 3Å; R261-V263 PolarHBondContact O-N 3Å
262	R	38.2	Very low	41.6	Very low	241 Å²	241	125.5 Å²	125.5	91%	0.909	69%	0.693	S	S	*	*			trans	-60	118.3	172.9	-165.4	177.9	-168.8	169.5	0.9	108	E264	R262-E264 PolarHBondContact O-N 3.03Å
263	V	44.1	Very low	41.9	Very low	114 Å²	114	119.9 Å²	119.9	69%	0.691	68%	0.678	S	S	*	*			trans	-72.6	119	176.5	178.9	0	0	0	0	108	R261 T265	R261-V263 PolarHBondContact O-N 3Å; V263-T265 PolarHBondContact O-N 3.32Å; V263-T265 VanDerWaalsContact O-N 3.1Å
264	E	45.1	Very low	42.2	Very low	152 Å²	152	119.5 Å²	119.5	71%	0.71	68%	0.675	S	S	*	*			trans	-70.5	102.7	173.4	-71.6	-179	152.5	0	0	109.4	R262 D266 A267	R262-E264 PolarHBondContact O-N 3.03Å; E264-D266 PolarHBondContact O-N 3.02Å; E264-A267 HydrophobicContact CB-CB 4.37Å; E264-A267 PolarHBondContact O-N 3.26Å
265	T	51.2	Low	42.4	Very low	89 Å²	89	123.2 Å²	123.2	55%	0.546	68%	0.677	S	S	.	*	H	α-helix	trans	-59.4	-30.2	179.4	44.7	0	0	0	0	112.5	V263 L268 L269	V263-T265 PolarHBondContact O-N 3.32Å; V263-T265 VanDerWaalsContact O-N 3.1Å; T265-L268 PolarHBondContact O-N 2.79Å; T265-L269 WeakPolarHBondContact O-CB 3.09Å; T265-L269 VanDerWaalsContact O-CG 3.3Å; T265-L269 WeakPolarHBondContact O-CG 3.29Å; T265-L269 PolarHBondContact O-N 3.14Å
266	D	48.6	Very low	42.3	Very low	120 Å²	120	128.3 Å²	128.3	64%	0.642	68%	0.682	S	S	*	*	H	α-helix	trans	-76.7	-33.2	-173.1	-58.6	-15.7	0	0	0	112.1	E264 L269 A270	E264-D266 PolarHBondContact O-N 3.02Å; D266-L269 PolarHBondContact O-N 3.17Å; D266-A270 VanDerWaalsContact O-CB 3.27Å; D266-A270 WeakPolarHBondContact O-CB 3.4Å; D266-A270 PolarHBondContact O-N 2.91Å
267	A	49.4	Very low	42.5	Very low	60 Å²	60	125.4 Å²	125.4	50%	0.496	67%	0.671	S	S	.	*	H	α-helix	trans	-67.3	-38	171.3	0	0	0	0	0	111.6	E264 S271	E264-A267 HydrophobicContact CB-CB 4.37Å; E264-A267 PolarHBondContact O-N 3.26Å; A267-S271 PolarHBondContact O-N 3.47Å
268	L	41.6	Very low	42.5	Very low	103 Å²	103	125.4 Å²	125.4	54%	0.539	67%	0.671	S	S	.	*	H	α-helix	trans	-66.6	-47.1	174.9	-151.3	83.9	0	0	0	110.8	T265 A270 S271 I272	T265-L268 PolarHBondContact O-N 2.79Å; L268-A270 PolarHBondContact O-N 3.29Å; L268-S271 PolarHBondContact O-N 3.36Å; L268-S271 PolarHBondContact O-OG 3.09Å; L268-I272 HydrophobicContact CD2-CD1 4.22Å; L268-I272 HydrophobicContact CG-CD1 4.13Å; L268-I272 WeakPolarHBondContact O-CD1 3.33Å; L268-I272 VanDerWaalsContact O-CG1 3.28Å; L268-I272 WeakPolarHBondContact O-CG1 3.33Å; L268-I272 PolarHBondContact O-N 3.5Å
269	L	45.8	Very low	42.8	Very low	107 Å²	107	125.8 Å²	125.8	56%	0.56	67%	0.668	S	S	*	*	H	α-helix	trans	-61.3	-40.8	176.8	-75.2	167.5	0	0	0	112.2	T265 D266 I272 A273	T265-L269 WeakPolarHBondContact O-CB 3.09Å; T265-L269 VanDerWaalsContact O-CG 3.3Å; T265-L269 WeakPolarHBondContact O-CG 3.29Å; T265-L269 PolarHBondContact O-N 3.14Å; D266-L269 PolarHBondContact O-N 3.17Å; L269-I272 PolarHBondContact O-N 3.23Å; L269-A273 VanDerWaalsContact O-CB 3.29Å; L269-A273 WeakPolarHBondContact O-CB 3.44Å; L269-A273 PolarHBondContact O-N 3.38Å
270	A	46.3	Very low	42.9	Very low	58 Å²	58	126.4 Å²	126.4	48%	0.479	67%	0.666	S	S	.	*	H	α-helix	trans	-63.6	-40.3	174.1	0	0	0	0	0	112.2	D266 L268 I272 A273 A274	D266-A270 VanDerWaalsContact O-CB 3.27Å; D266-A270 WeakPolarHBondContact O-CB 3.4Å; D266-A270 PolarHBondContact O-N 2.91Å; L268-A270 PolarHBondContact O-N 3.29Å; A270-I272 VanDerWaalsContact C-N 3.33Å; A270-I272 PolarHBondContact O-N 3.2Å; A270-A273 PolarHBondContact O-N 3.39Å; A270-A274 VanDerWaalsContact O-CB 3.28Å; A270-A274 WeakPolarHBondContact O-CB 3.06Å; A270-A274 PolarHBondContact O-N 3.22Å
271	S	42.5	Very low	43.4	Very low	66 Å²	66	118.5 Å²	118.5	46%	0.462	64%	0.643	S	S	.	*	H	α-helix	trans	-67.9	-31.6	176	80.4	0	0	0	0	113.4	A267 L268	A267-S271 PolarHBondContact O-N 3.47Å; L268-S271 PolarHBondContact O-N 3.36Å; L268-S271 PolarHBondContact O-OG 3.09Å
272	I	46.7	Very low	43.8	Very low	84 Å²	84	110.9 Å²	110.9	43%	0.431	63%	0.631	S	S	.	*	H	α-helix	trans	-77.5	-34.7	176	-68.1	164.3	0	0	0	110.7	L268 L269 A270	L268-I272 HydrophobicContact CD2-CD1 4.22Å; L268-I272 HydrophobicContact CG-CD1 4.13Å; L268-I272 WeakPolarHBondContact O-CD1 3.33Å; L268-I272 VanDerWaalsContact O-CG1 3.28Å; L268-I272 WeakPolarHBondContact O-CG1 3.33Å; L268-I272 PolarHBondContact O-N 3.5Å; L269-I272 PolarHBondContact O-N 3.23Å; A270-I272 VanDerWaalsContact C-N 3.33Å; A270-I272 PolarHBondContact O-N 3.2Å
273	A	43.5	Very low	44.2	Very low	64 Å²	64	107.1 Å²	107.1	53%	0.529	63%	0.628	S	S	.	*	H	α-helix	trans	-71.5	-43.7	174.8	0	0	0	0	0	112.2	L269 A270 K275 R276	L269-A273 VanDerWaalsContact O-CB 3.29Å; L269-A273 WeakPolarHBondContact O-CB 3.44Å; L269-A273 PolarHBondContact O-N 3.38Å; A270-A273 PolarHBondContact O-N 3.39Å; A273-K275 PolarHBondContact O-N 3.02Å; A273-R276 PolarHBondContact O-N 2.76Å; A273-R276 VanDerWaalsContact O-N 3.11Å
274	A	43	Very low	44.6	Very low	91 Å²	91	108.4 Å²	108.4	75%	0.752	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-13.1	-178.7	0	0	0	0	0	114.5	A270	A270-A274 VanDerWaalsContact O-CB 3.28Å; A270-A274 WeakPolarHBondContact O-CB 3.06Å; A270-A274 PolarHBondContact O-N 3.22Å
275	K	41.9	Very low	45	Very low	189 Å²	189	107.9 Å²	107.9	82%	0.822	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	1.9	172.3	-74.5	-174.8	176	179.7	0	114.2	A273 A277	A273-K275 PolarHBondContact O-N 3.02Å; K275-A277 PolarHBondContact O-N 2.7Å
276	R	35.5	Very low	45.4	Very low	201 Å²	201	109.3 Å²	109.3	76%	0.758	63%	0.628	S	S	*	*			trans	-81.1	71.9	169.8	-82.2	177.8	167.9	-179.4	-3.1	110.9	A273	A273-R276 PolarHBondContact O-N 2.76Å; A273-R276 VanDerWaalsContact O-N 3.11Å
277	A	41.7	Very low	46.2	Very low	68 Å²	68	108.5 Å²	108.5	56%	0.562	63%	0.63	S	S	*	*			trans	-55.2	143.9	147.4	0	0	0	0	0	108.3	K275 N279	K275-A277 PolarHBondContact O-N 2.7Å; A277-N279 PolarHBondContact O-N 2.55Å
278	P	41.4	Very low	47.3	Very low	108 Å²	108	112.1 Å²	112.1	70%	0.701	65%	0.645	S	S	*	*			trans	-71.7	94.6	-175.4	28.9	-34.4	0	0	0	110.3	A280	P278-A280 PolarHBondContact O-N 3.22Å
279	N	41.1	Very low	49.3	Very low	151 Å²	151	109 Å²	109	81%	0.807	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	23.7	170.2	-81.4	-5.9	0	0	0	113.6	A277 I281	A277-N279 PolarHBondContact O-N 2.55Å; N279-I281 VanDerWaalsContact C-N 3.3Å; N279-I281 PolarHBondContact O-N 2.7Å
280	A	38.3	Very low	51.2	Low	82 Å²	82	109.2 Å²	109.2	68%	0.678	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-1.7	-179.8	0	0	0	0	0	113.8	P278	P278-A280 PolarHBondContact O-N 3.22Å
281	I	45.3	Very low	53	Low	99 Å²	99	114.9 Å²	114.9	51%	0.508	65%	0.645	S	S	.	*	S	Bend	trans	-119.7	-7.5	-172.8	-55.9	-176.2	0	0	0	113.1	N279 L283 L284 D285	N279-I281 VanDerWaalsContact C-N 3.3Å; N279-I281 PolarHBondContact O-N 2.7Å; I281-L283 PolarHBondContact O-N 2.72Å; I281-L284 HydrophobicContact CG2-CB 4.14Å; I281-L284 HydrophobicContact CG2-CD1 4.29Å; I281-L284 PolarHBondContact O-N 3.41Å; I281-D285 PolarHBondContact O-N 3.02Å
282	A	48.9	Very low	55	Low	82 Å²	82	113 Å²	113	68%	0.678	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-16.1	179.9	0	0	0	0	0	115
283	L	47.3	Very low	56.6	Low	161 Å²	161	117.3 Å²	117.3	84%	0.843	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-19.7	171.3	-80	171.5	0	0	0	113.8	I281	I281-L283 PolarHBondContact O-N 2.72Å
284	L	51.2	Low	58	Low	141 Å²	141	118.6 Å²	118.6	74%	0.738	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-33.8	180	-66.1	169.2	0	0	0	111.5	I281 R286	I281-L284 HydrophobicContact CG2-CB 4.14Å; I281-L284 HydrophobicContact CG2-CD1 4.29Å; I281-L284 PolarHBondContact O-N 3.41Å; L284-R286 PolarHBondContact O-N 3.32Å; L284-R286 VanDerWaalsContact O-N 3.16Å
285	D	54.7	Low	59.7	Low	142 Å²	142	117.6 Å²	117.6	76%	0.759	64%	0.64	S	S	*	*	S	Bend	trans	-88.1	31.9	-175.5	-139.5	12.2	0	0	0	113.2	I281	I281-D285 PolarHBondContact O-N 3.02Å
286	R	58.7	Low	61.4	Low	119 Å²	119	114.5 Å²	114.5	45%	0.449	64%	0.637	S	S	.	*			trans	-79.2	132.1	178.4	-168.8	-176.7	-136.1	159.5	6.7	109.7	L284 V288 R585	L284-R286 PolarHBondContact O-N 3.32Å; L284-R286 VanDerWaalsContact O-N 3.16Å; R286-V288 PolarHBondContact O-N 3.47Å; R286-R585 PolarHBondContact NH1-O 3.44Å; R286-R585 PolarHBondContact NH2-O 2.91Å
287	P	64.4	Low	63.7	Low	103 Å²	103	106 Å²	106	67%	0.669	61%	0.606	S	S	*	*			trans	-56.1	127.5	171.9	22.9	-33.5	0	0	0	110.4	V289	P287-V289 PolarHBondContact O-N 3.23Å
288	V	73.4	Confident	65.8	Low	135 Å²	135	106.6 Å²	106.6	82%	0.818	60%	0.6	S	S	*	*			trans	-71.2	101.1	176.9	179	0	0	0	0	108	R286 T290	R286-V288 PolarHBondContact O-N 3.47Å; V288-T290 PolarHBondContact O-N 3.13Å
289	V	82.8	Confident	68.1	Low	39 Å²	39	103.1 Å²	103.1	24%	0.236	58%	0.575	C	S	.	*			trans	-73.1	111.7	173.1	-173.6	0	0	0	0	107.9	P287 R291 L586 Y588 H591	P287-V289 PolarHBondContact O-N 3.23Å; V289-R291 PolarHBondContact O-N 3.41Å; V289-L586 WeakPolarHBondContact CG2-O 3.41Å; V289-Y588 HydrophobicContact CG1-CD1 4Å; V289-Y588 HydrophobicContact CG1-CD2 4.47Å; V289-Y588 HydrophobicContact CG1-CE1 3.66Å; V289-Y588 HydrophobicContact CG1-CE2 4.15Å; V289-Y588 HydrophobicContact CG1-CG 4.4Å; V289-Y588 HydrophobicContact CG2-CD2 4.49Å; V289-Y588 HydrophobicContact CG2-CE2 3.82Å; V289-H591 VanDerWaalsContact CG1-CE1 3.43Å; V289-H591 WeakPolarHBondContact CG1-CE1 3.38Å
290	T	85.9	Confident	70	Confident	111 Å²	111	100.6 Å²	100.6	68%	0.681	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-62.1	130.2	176.3	46.7	0	0	0	0	110.1	V288 H591	V288-T290 PolarHBondContact O-N 3.13Å; T290-H591 PolarHBondContact O-CE1 3.07Å; T290-H591 PolarHBondContact O-NE2 2.77Å; T290-H591 VanDerWaalsContact O-NE2 3.16Å
291	R	85.3	Confident	72.1	Confident	177 Å²	177	99.1 Å²	99.1	67%	0.668	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-62.3	135.4	170.4	-171.9	-174.5	-180	167.1	3.7	108.8	V289 E590	V289-R291 PolarHBondContact O-N 3.41Å; R291-E590 HydrophobicContact CG-CB 3.9Å; R291-E590 HydrophobicContact CG-CG 4.12Å; R291-E590 IonicContact CZ-OE2 2.79Å; R291-E590 VanDerWaalsContact CZ-OE2 3.29Å; R291-E590 IonicContact NE-OE2 2.71Å; R291-E590 IonicContact NH2-OE2 2.61Å; R291-E590 PolarHBondContact NH2-OE2 3.2Å
292	P	83.7	Confident	73.8	Confident	25 Å²	25	99.1 Å²	99.1	16%	0.162	55%	0.547	C	S	.	.	P	Polyproline II helix	trans	-61.7	144.6	172.3	27.6	-35.2	0	0	0	109.7	P545 E590	P292-P545 HydrophobicContact CB-CG 4.45Å; P292-P545 HydrophobicContact CG-CG 4.09Å; P292-E590 HydrophobicContact CG-CB 4.47Å; P292-E590 VanDerWaalsContact CG-O 3.24Å; P292-E590 WeakPolarHBondContact CG-O 3.48Å
293	E	79.7	Confident	75.4	Confident	175 Å²	175	96.1 Å²	96.1	82%	0.818	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-62.9	142.8	175.6	-65.4	-172.9	164	0	0	110.3	Q295	E293-Q295 PolarHBondContact O-N 3.25Å; E293-Q295 VanDerWaalsContact O-N 3.07Å
294	A	74.7	Confident	77.2	Confident	92 Å²	92	94.8 Å²	94.8	76%	0.76	52%	0.515	S	S	*	.			trans	-68.3	110.9	175.9	0	0	0	0	0	108.4	V296	A294-V296 PolarHBondContact O-N 3.37Å
295	Q	76.7	Confident	78.6	Confident	70 Å²	70	90 Å²	90	33%	0.327	49%	0.491	S	S	.	.			trans	-61.7	102.3	179.6	-66.8	-179.6	-11.2	0	0	109.9	E293 R440	E293-Q295 PolarHBondContact O-N 3.25Å; E293-Q295 VanDerWaalsContact O-N 3.07Å; Q295-R440 PolarHBondContact O-NH2 2.88Å
296	V	78.4	Confident	80	Confident	124 Å²	124	83.2 Å²	83.2	75%	0.752	46%	0.455	S	S	*	.			trans	-52.3	140.3	178	-178.1	0	0	0	0	109.2	A294 D298	A294-V296 PolarHBondContact O-N 3.37Å; V296-D298 PolarHBondContact O-N 3.06Å
297	I	84.1	Confident	81.2	Confident	23 Å²	23	80.3 Å²	80.3	12%	0.118	46%	0.456	C	S	.	.			trans	-78.9	115	173.4	-170.5	157.4	0	0	0	109.1	M299 S328 T329 K332 P353 F354	I297-M299 HydrophobicContact CD1-SD 4.25Å; I297-M299 HydrophobicContact CG1-SD 4.08Å; I297-M299 HydrophobicContact CG2-CG 4.3Å; I297-M299 HydrophobicContact CG2-SD 4.14Å; I297-M299 PolarHBondContact O-N 2.92Å; I297-M299 VanDerWaalsContact O-N 3.17Å; I297-S328 WeakPolarHBondContact CD1-O 3.48Å; I297-T329 HydrophobicContact CD1-CG2 4.44Å; I297-K332 HydrophobicContact CD1-CB 3.65Å; I297-K332 HydrophobicContact CD1-CD 3.75Å; I297-K332 HydrophobicContact CD1-CG 4.28Å; I297-K332 HydrophobicContact CG1-CD 3.82Å; I297-P353 HydrophobicContact CG2-CB 4.33Å; I297-F354 HydrophobicContact CD1-CE1 4.23Å; I297-F354 HydrophobicContact CD1-CZ 4.1Å; I297-F354 HydrophobicContact CG2-CE2 4.44Å; I297-F354 HydrophobicContact CG2-CZ 3.94Å
298	D	86.5	Confident	82.2	Confident	79 Å²	79	82 Å²	82	42%	0.422	46%	0.46	S	S	.	.			trans	-72.2	105.5	169.2	168.3	25.1	0	0	0	108.4	V296 S300 S301 K332	V296-D298 PolarHBondContact O-N 3.06Å; D298-S300 PolarHBondContact O-N 2.81Å; D298-S300 WeakPolarHBondContact OD1-CA 3.36Å; D298-S300 WeakPolarHBondContact OD1-CB 3.44Å; D298-S300 PolarHBondContact OD1-N 2.77Å; D298-S300 PolarHBondContact OD1-OG 2.91Å; D298-S301 WeakPolarHBondContact OD2-CB 3.44Å; D298-S301 PolarHBondContact OD2-N 3.01Å; D298-S301 PolarHBondContact OD2-OG 3.42Å; D298-K332 VanDerWaalsContact O-CE 3.29Å; D298-K332 WeakPolarHBondContact O-CE 3.37Å; D298-K332 PolarHBondContact O-NZ 2.95Å
299	M	87.9	Confident	82.9	Confident	36 Å²	36	77.9 Å²	77.9	18%	0.177	43%	0.43	C	S	.	.	S	Bend	trans	-78	-1.9	177.4	-68.6	-60.3	-70.5	0	0	113.2	I297 K332 I335 Y336 P353 F354 A357	I297-M299 HydrophobicContact CD1-SD 4.25Å; I297-M299 HydrophobicContact CG1-SD 4.08Å; I297-M299 HydrophobicContact CG2-CG 4.3Å; I297-M299 HydrophobicContact CG2-SD 4.14Å; I297-M299 PolarHBondContact O-N 2.92Å; I297-M299 VanDerWaalsContact O-N 3.17Å; M299-K332 HydrophobicContact CE-CB 4.29Å; M299-K332 HydrophobicContact CE-CG 4.29Å; M299-K332 HydrophobicContact SD-CB 3.89Å; M299-K332 HydrophobicContact SD-CD 4.13Å; M299-K332 HydrophobicContact SD-CG 3.88Å; M299-I335 HydrophobicContact CE-CD1 4.37Å; M299-Y336 WeakPolarHBondContact O-CE2 3.47Å; M299-Y336 PolarHBondContact O-OH 3.45Å; M299-P353 HydrophobicContact CG-CB 3.77Å; M299-F354 HydrophobicContact CE-CD1 3.81Å; M299-F354 HydrophobicContact CE-CE1 4.11Å; M299-F354 HydrophobicContact SD-CD1 4.05Å; M299-F354 HydrophobicContact SD-CE1 3.78Å; M299-A357 HydrophobicContact CE-CB 3.48Å; M299-A357 VanDerWaalsContact CE-CB 3.48Å
300	S	83	Confident	83.2	Confident	98 Å²	98	82.2 Å²	82.2	69%	0.685	45%	0.451	S	S	*	.	S	Bend	trans	-97.7	-20.7	-176.9	74.6	0	0	0	0	115.3	D298 Y336	D298-S300 PolarHBondContact O-N 2.81Å; D298-S300 WeakPolarHBondContact OD1-CA 3.36Å; D298-S300 WeakPolarHBondContact OD1-CB 3.44Å; D298-S300 PolarHBondContact OD1-N 2.77Å; D298-S300 PolarHBondContact OD1-OG 2.91Å; S300-Y336 VanDerWaalsContact C-OH 3.26Å; S300-Y336 WeakPolarHBondContact CA-OH 3.48Å; S300-Y336 PolarHBondContact O-OH 2.8Å
301	S	82.1	Confident	83.5	Confident	50 Å²	50	78.1 Å²	78.1	35%	0.35	43%	0.425	S	S	.	.			trans	-90.3	141.6	176.7	52.8	0	0	0	0	112.8	D298 K332	D298-S301 WeakPolarHBondContact OD2-CB 3.44Å; D298-S301 PolarHBondContact OD2-N 3.01Å; D298-S301 PolarHBondContact OD2-OG 3.42Å; S301-K332 WeakPolarHBondContact O-CE 3.47Å; S301-K332 PolarHBondContact O-NZ 2.91Å; S301-K332 PolarHBondContact OG-NZ 2.86Å
302	R	81.1	Confident	83.9	Confident	100 Å²	100	75 Å²	75	38%	0.377	43%	0.425	S	S	.	.			trans	-114.3	142.9	166.3	-177.6	175.3	174.1	168.2	-1.2	109	L306 Y336	R302-L306 HydrophobicContact CG-CB 4.36Å; R302-L306 HydrophobicContact CG-CD2 4.3Å; R302-L306 PolarHBondContact NH2-O 3.22Å; R302-Y336 HydrophobicContact CB-CD1 4.38Å; R302-Y336 HydrophobicContact CB-CE1 4.26Å; R302-Y336 HydrophobicContact CG-CD1 4.49Å
303	S	82.3	Confident	84.4	Confident	19 Å²	19	76.1 Å²	76.1	13%	0.133	43%	0.433	C	S	.	.			trans	-72.8	139.6	173	60.9	0	0	0	0	110.8	T305 L306 A307 A444	S303-T305 WeakPolarHBondContact CB-OG1 3.45Å; S303-T305 PolarHBondContact O-N 2.95Å; S303-T305 PolarHBondContact OG-OG1 2.75Å; S303-L306 PolarHBondContact O-N 2.93Å; S303-L306 VanDerWaalsContact OG-CB 3.25Å; S303-L306 WeakPolarHBondContact OG-CB 3.48Å; S303-L306 PolarHBondContact OG-N 2.81Å; S303-A307 PolarHBondContact O-N 3.03Å; S303-A444 WeakPolarHBondContact CB-O 3.31Å
304	N	83.6	Confident	85.2	Confident	132 Å²	132	69.1 Å²	69.1	71%	0.706	40%	0.403	S	S	*	.	H	α-helix	trans	-57.8	-37.5	177.9	-63.3	-22	0	0	0	111.2	L306 A307 D308	N304-L306 VanDerWaalsContact C-N 3.26Å; N304-L306 PolarHBondContact O-N 3.15Å; N304-A307 WeakPolarHBondContact O-CA 3.15Å; N304-A307 WeakPolarHBondContact O-CB 3.33Å; N304-A307 PolarHBondContact O-N 2.86Å; N304-D308 PolarHBondContact O-N 3.39Å
305	T	82.5	Confident	86.1	Confident	41 Å²	41	72.1 Å²	72.1	25%	0.252	40%	0.401	S	S	.	.	H	α-helix	trans	-60.8	-30.4	175.8	44.3	0	0	0	0	113.7	S303 R309 E445 M447	S303-T305 WeakPolarHBondContact CB-OG1 3.45Å; S303-T305 PolarHBondContact O-N 2.95Å; S303-T305 PolarHBondContact OG-OG1 2.75Å; T305-R309 WeakPolarHBondContact O-CG 3.34Å; T305-R309 PolarHBondContact O-NE 2.98Å; T305-E445 WeakPolarHBondContact CB-O 3.19Å; T305-E445 PolarHBondContact OG1-O 3.06Å; T305-M447 HydrophobicContact CG2-CE 3.32Å
306	L	83.7	Confident	87	Confident	0 Å²	0	71 Å²	71	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-83.6	-29.2	171.2	-175	61	0	0	0	111.9	R302 S303 N304 I311 D333 T337 T468	R302-L306 HydrophobicContact CG-CB 4.36Å; R302-L306 HydrophobicContact CG-CD2 4.3Å; R302-L306 PolarHBondContact NH2-O 3.22Å; S303-L306 PolarHBondContact O-N 2.93Å; S303-L306 VanDerWaalsContact OG-CB 3.25Å; S303-L306 WeakPolarHBondContact OG-CB 3.48Å; S303-L306 PolarHBondContact OG-N 2.81Å; N304-L306 VanDerWaalsContact C-N 3.26Å; N304-L306 PolarHBondContact O-N 3.15Å; L306-I311 HydrophobicContact CD1-CD1 3.63Å; L306-D333 HydrophobicContact CD2-CB 3.8Å; L306-T337 HydrophobicContact CD1-CG2 3.74Å; L306-T337 HydrophobicContact CD2-CG2 4.29Å; L306-T337 HydrophobicContact CG-CG2 4.21Å; L306-T468 HydrophobicContact CD1-CG2 3.98Å
307	A	83.3	Confident	88	Confident	57 Å²	57	66.7 Å²	66.7	47%	0.471	37%	0.37	S	S	.	.	H	α-helix	trans	-66.8	-36.5	174.6	0	0	0	0	0	112.5	S303 N304 R309	S303-A307 PolarHBondContact O-N 3.03Å; N304-A307 WeakPolarHBondContact O-CA 3.15Å; N304-A307 WeakPolarHBondContact O-CB 3.33Å; N304-A307 PolarHBondContact O-N 2.86Å; A307-R309 VanDerWaalsContact C-N 3.26Å; A307-R309 PolarHBondContact O-N 3.49Å
308	D	86.6	Confident	88.7	Confident	139 Å²	139	65.6 Å²	65.6	74%	0.743	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-7.7	179.3	-65.2	-26	0	0	0	114.1	N304	N304-D308 PolarHBondContact O-N 3.39Å
309	R	87.9	Confident	89.2	Confident	48 Å²	48	61.9 Å²	61.9	18%	0.181	35%	0.345	C	S	.	.	S	Bend	trans	-93.5	116.9	-179.1	-71.4	177.7	-169.2	175.6	9.7	111.5	T305 A307 I311 G446 K467 T468 A470	T305-R309 WeakPolarHBondContact O-CG 3.34Å; T305-R309 PolarHBondContact O-NE 2.98Å; A307-R309 VanDerWaalsContact C-N 3.26Å; A307-R309 PolarHBondContact O-N 3.49Å; R309-I311 HydrophobicContact CB-CD1 3.56Å; R309-I311 HydrophobicContact CB-CG1 3.84Å; R309-I311 PolarHBondContact O-N 3.34Å; R309-G446 VanDerWaalsContact CZ-O 3.27Å; R309-G446 PolarHBondContact NH1-O 2.79Å; R309-G446 PolarHBondContact NH2-O 3.18Å; R309-K467 WeakPolarHBondContact CD-O 3.33Å; R309-K467 PolarHBondContact NH1-O 3.01Å; R309-T468 PolarHBondContact NH1-O 3.45Å; R309-A470 PolarHBondContact NH1-O 3.23Å; R309-A470 VanDerWaalsContact NH1-O 3.1Å
310	D	88.5	Confident	89.7	Confident	130 Å²	130	60.1 Å²	60.1	70%	0.695	34%	0.336	S	S	*	.			trans	-67.2	93.9	166.6	180	33.6	0	0	0	110.2	K467	D310-K467 WeakPolarHBondContact O-CE 3.28Å; D310-K467 PolarHBondContact O-NZ 2.94Å
311	I	92	Very high	90.5	Very high	25 Å²	25	55.5 Å²	55.5	13%	0.128	30%	0.304	C	S	.	.			trans	-116.6	116.7	-177.6	-65.8	159	0	0	0	108.1	L306 R309 T337 K467	L306-I311 HydrophobicContact CD1-CD1 3.63Å; R309-I311 HydrophobicContact CB-CD1 3.56Å; R309-I311 HydrophobicContact CB-CG1 3.84Å; R309-I311 PolarHBondContact O-N 3.34Å; I311-T337 HydrophobicContact CB-CG2 4.29Å; I311-T337 HydrophobicContact CD1-CG2 3.8Å; I311-T337 HydrophobicContact CG2-CG2 4.13Å; I311-K467 HydrophobicContact CG1-CD 4.14Å; I311-K467 HydrophobicContact CG1-CG 4.16Å
312	V	94.2	Very high	91.2	Very high	111 Å²	111	53.2 Å²	53.2	67%	0.673	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-88.6	122.6	166.9	-177.2	0	0	0	0	107.3	S464	V312-S464 WeakPolarHBondContact O-CB 3.45Å
313	P	94.3	Very high	92	Very high	49 Å²	49	48.5 Å²	48.5	32%	0.318	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-64.1	149.7	175.8	25.3	-32.1	0	0	0	111	G338	P313-G338 WeakPolarHBondContact CB-O 3.29Å
314	S	95.1	Very high	92.5	Very high	29 Å²	29	48.7 Å²	48.7	20%	0.203	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-78.2	145.6	169.3	177.3	0	0	0	0	109.8	Q316 H339	S314-Q316 PolarHBondContact O-N 3.14Å; S314-Q316 PolarHBondContact OG-N 2.95Å; S314-H339 PolarHBondContact N-CE1 3.37Å; S314-H339 PolarHBondContact N-ND1 3.13Å
315	E	94.8	Very high	93	Very high	154 Å²	154	45.2 Å²	45.2	72%	0.72	26%	0.256	S	S	*	.	S	Bend	trans	-68.1	-19.6	176.3	-70.3	-57.6	151.5	0	0	113.8	K340	E315-K340 PolarHBondContact O-NZ 3.27Å; E315-K340 IonicContact OE2-NZ 2.75Å; E315-K340 PolarHBondContact OE2-NZ 3.37Å
316	Q	96.3	Very high	93.5	Very high	48 Å²	48	44.8 Å²	44.8	22%	0.224	25%	0.252	C	S	.	.	S	Bend	trans	-64.1	152.8	177.8	-64.2	179.7	14.3	0	0	112.3	S314 F318 D373	S314-Q316 PolarHBondContact O-N 3.14Å; S314-Q316 PolarHBondContact OG-N 2.95Å; Q316-F318 HydrophobicContact CB-CE2 4.1Å; Q316-F318 HydrophobicContact CB-CZ 4.06Å; Q316-F318 WeakPolarHBondContact O-CD2 3.45Å; Q316-F318 WeakPolarHBondContact O-CE2 3.26Å; Q316-D373 WeakPolarHBondContact CA-OD2 3.4Å; Q316-D373 HydrophobicContact CB-CB 4.22Å; Q316-D373 HydrophobicContact CG-CB 4.48Å
317	T	98	Very high	94.2	Very high	33 Å²	33	44.8 Å²	44.8	20%	0.202	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.2	174.9	-55.1	0	0	0	0	109.9	K340 V342 A372 D373 V374	T317-K340 HydrophobicContact CG2-CB 4.4Å; T317-V342 HydrophobicContact CG2-CG2 3.54Å; T317-A372 HydrophobicContact CG2-CB 4.31Å; T317-A372 WeakPolarHBondContact O-CB 3.42Å; T317-D373 PolarHBondContact N-OD2 2.98Å; T317-D373 PolarHBondContact O-N 3.37Å; T317-V374 PolarHBondContact O-N 3.07Å
318	F	98.4	Very high	94.7	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.8	-176.5	-65.5	-83.6	0	0	0	111.5	Q316 H339 K340 V341 V342 V374 F376 C465	Q316-F318 HydrophobicContact CB-CE2 4.1Å; Q316-F318 HydrophobicContact CB-CZ 4.06Å; Q316-F318 WeakPolarHBondContact O-CD2 3.45Å; Q316-F318 WeakPolarHBondContact O-CE2 3.26Å; F318-H339 HydrophobicContact CD2-CB 4.2Å; F318-H339 AromaticContact CE2-ND1 3.73Å; F318-K340 PolarHBondContact N-O 3.31Å; F318-V341 CarbonylContact O-C 3.6Å; F318-V341 VanDerWaalsContact O-CA 3.27Å; F318-V341 WeakPolarHBondContact O-CA 3.19Å; F318-V341 WeakPolarHBondContact O-CG1 3.02Å; F318-V342 PolarHBondContact O-N 3.37Å; F318-V374 CarbonylContact C-O 3.31Å; F318-V374 WeakPolarHBondContact CA-O 3.42Å; F318-V374 HydrophobicContact CD1-CB 3.74Å; F318-V374 HydrophobicContact CD1-CG1 4.05Å; F318-V374 HydrophobicContact CE1-CB 3.84Å; F318-V374 HydrophobicContact CE1-CG1 4.13Å; F318-V374 HydrophobicContact CE1-CG2 4.14Å; F318-F376 HydrophobicContact CB-CD2 4.41Å; F318-F376 HydrophobicContact CB-CE2 4.15Å; F318-F376 HydrophobicContact CD1-CD2 4.28Å; F318-F376 AromaticContact CD1-CE2 3.39Å; F318-F376 HydrophobicContact CD1-CE2 3.39Å; F318-F376 AromaticContact CD1-CZ 3.95Å; F318-F376 HydrophobicContact CD1-CZ 3.95Å; F318-F376 HydrophobicContact CE1-CE2 4.16Å; F318-F376 HydrophobicContact CE1-CZ 4.29Å; F318-F376 HydrophobicContact CG-CE2 4.05Å; F318-C465 WeakPolarHBondContact CE1-SG 3.34Å; F318-C465 WeakPolarHBondContact CZ-SG 3.44Å
319	G	98.4	Very high	95.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	143.2	170.5	0	0	0	0	0	110.4	V342 V368 V374 F376	G319-V342 CarbonylContact C-O 3.54Å; G319-V342 VanDerWaalsContact CA-O 3.29Å; G319-V342 WeakPolarHBondContact CA-O 3.45Å; G319-V368 VanDerWaalsContact CA-CG1 3.4Å; G319-V374 PolarHBondContact N-O 2.92Å; G319-F376 PolarHBondContact O-N 3.42Å
320	F	98.7	Very high	95.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	114	174.5	-151.1	-75.8	0	0	0	112.5	G322 L323 I330 V331 V341 V342 V343 W344 F376 C378 M409	F320-G322 WeakPolarHBondContact CE1-O 3.39Å; F320-L323 HydrophobicContact CD1-CD2 4.49Å; F320-I330 HydrophobicContact CD2-CG2 4.3Å; F320-I330 HydrophobicContact CE2-CB 4.25Å; F320-I330 HydrophobicContact CE2-CG2 3.41Å; F320-I330 VanDerWaalsContact CE2-CG2 3.41Å; F320-I330 HydrophobicContact CZ-CB 4.26Å; F320-I330 HydrophobicContact CZ-CG2 3.9Å; F320-V331 HydrophobicContact CB-CG2 3.63Å; F320-V331 HydrophobicContact CD1-CG2 3.52Å; F320-V331 HydrophobicContact CD2-CG2 3.55Å; F320-V331 HydrophobicContact CE1-CG2 4.09Å; F320-V331 HydrophobicContact CE2-CG2 4.12Å; F320-V331 HydrophobicContact CG-CG2 3.22Å; F320-V331 HydrophobicContact CZ-CG2 4.37Å; F320-V341 HydrophobicContact CB-CG1 4.31Å; F320-V342 PolarHBondContact N-O 3.38Å; F320-V343 HydrophobicContact CB-CG1 4.38Å; F320-W344 PolarHBondContact O-N 3.43Å; F320-F376 WeakPolarHBondContact CA-O 3.29Å; F320-F376 HydrophobicContact CD2-CB 3.5Å; F320-F376 AromaticContact CD2-CD2 3.99Å; F320-F376 HydrophobicContact CD2-CD2 3.99Å; F320-F376 HydrophobicContact CD2-CG 4.11Å; F320-F376 HydrophobicContact CE2-CB 3.52Å; F320-F376 HydrophobicContact CE2-CD2 4.32Å; F320-F376 HydrophobicContact CE2-CG 4.1Å; F320-F376 HydrophobicContact CG-CB 4.27Å; F320-F376 HydrophobicContact CZ-CB 4.32Å; F320-C378 HydrophobicContact CE1-CB 3.82Å; F320-C378 HydrophobicContact CZ-CB 3.79Å; F320-M409 HydrophobicContact CE2-SD 4.34Å
321	L	98.5	Very high	95.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.2	177.9	-52.7	-179.1	0	0	0	110.3	W344 P365 V368 I375 F376 C377 C378 L388 V395 Y406	L321-W344 HydrophobicContact CB-CE3 4.48Å; L321-W344 HydrophobicContact CD2-CB 3.95Å; L321-W344 HydrophobicContact CD2-CE3 4.21Å; L321-P365 HydrophobicContact CD1-CB 4.11Å; L321-P365 HydrophobicContact CD2-CB 4Å; L321-V368 HydrophobicContact CD2-CB 3.92Å; L321-V368 HydrophobicContact CD2-CG1 4.02Å; L321-V368 HydrophobicContact CD2-CG2 3.98Å; L321-I375 HydrophobicContact CD1-CG2 3.83Å; L321-I375 HydrophobicContact CG-CG2 3.86Å; L321-F376 PolarHBondContact N-O 3.16Å; L321-C377 HydrophobicContact CB-CB 4.42Å; L321-C378 PolarHBondContact O-N 2.7Å; L321-L388 HydrophobicContact CB-CD1 4.18Å; L321-V395 HydrophobicContact CD1-CG2 4.18Å; L321-Y406 HydrophobicContact CD1-CE2 4.19Å
322	G	97.5	Very high	96.1	Very high	3 Å²	3	27.9 Å²	27.9	3%	0.031	16%	0.158	C	C	.	.			trans	104	94.4	172.3	0	0	0	0	0	114.3	F320 G324 W344	F320-G322 WeakPolarHBondContact CE1-O 3.39Å; G322-G324 PolarHBondContact O-N 3.13Å; G322-W344 PolarHBondContact N-O 3.36Å
323	L	96.7	Very high	96.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.126	C	C	.	.			trans	-85.7	61.7	175.1	-59.5	172.5	0	0	0	109.8	F320 S328 V331 V343 N345 K350 C351 F354	F320-L323 HydrophobicContact CD1-CD2 4.49Å; L323-S328 PolarHBondContact O-OG 2.95Å; L323-V331 HydrophobicContact CD2-CB 4.19Å; L323-V331 HydrophobicContact CD2-CG1 4.38Å; L323-V331 HydrophobicContact CD2-CG2 3.83Å; L323-V343 HydrophobicContact CD1-CB 4.35Å; L323-V343 HydrophobicContact CD1-CG2 4.43Å; L323-N345 HydrophobicContact CB-CB 3.88Å; L323-N345 HydrophobicContact CD1-CB 3.96Å; L323-N345 HydrophobicContact CG-CB 3.92Å; L323-N345 PolarHBondContact N-OD1 3.38Å; L323-K350 HydrophobicContact CB-CB 4.17Å; L323-K350 WeakPolarHBondContact O-CD 3.43Å; L323-K350 PolarHBondContact O-NZ 3.13Å; L323-C351 HydrophobicContact CD1-CB 4.2Å; L323-F354 HydrophobicContact CB-CE2 4.42Å; L323-F354 HydrophobicContact CD1-CD2 3.66Å; L323-F354 HydrophobicContact CD1-CE2 3.86Å; L323-F354 HydrophobicContact CD2-CD2 4.14Å; L323-F354 HydrophobicContact CD2-CE2 3.93Å; L323-F354 HydrophobicContact CD2-CZ 4.29Å; L323-F354 HydrophobicContact CG-CD2 4.46Å; L323-F354 HydrophobicContact CG-CE2 4.29Å
324	G	94.1	Very high	96.2	Very high	24 Å²	24	20.4 Å²	20.4	25%	0.247	11%	0.111	C	C	.	.	S	Bend	trans	-80.6	-170.8	174.4	0	0	0	0	0	112.7	G322 M326 G327 S328	G322-G324 PolarHBondContact O-N 3.13Å; G324-M326 PolarHBondContact O-N 3.23Å; G324-G327 PolarHBondContact O-N 2.95Å; G324-S328 VanDerWaalsContact O-CB 3.3Å; G324-S328 WeakPolarHBondContact O-CB 3.43Å; G324-S328 PolarHBondContact O-N 3.29Å; G324-S328 PolarHBondContact O-OG 2.99Å; G324-S328 VanDerWaalsContact O-OG 3.07Å
325	M	92.7	Very high	96.2	Very high	58 Å²	58	20.5 Å²	20.5	29%	0.286	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-39	177.6	-179.2	174.3	-78.3	0	0	113.4	R440 P545 P548	M325-R440 HydrophobicContact CG-CB 3.99Å; M325-R440 HydrophobicContact CG-CG 3.81Å; M325-R440 HydrophobicContact SD-CB 4.13Å; M325-R440 HydrophobicContact SD-CG 4.46Å; M325-P545 HydrophobicContact CE-CB 3.83Å; M325-P545 HydrophobicContact CE-CG 3.86Å; M325-P545 VanDerWaalsContact CE-O 3.3Å; M325-P545 WeakPolarHBondContact CE-O 3.21Å; M325-P548 HydrophobicContact CE-CG 4.01Å; M325-P548 HydrophobicContact SD-CG 4.18Å
326	M	95	Very high	96.1	Very high	33 Å²	33	16.6 Å²	16.6	16%	0.163	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-42.7	178.5	-55.7	-61.9	-75.1	0	0	112	G324 S328 T329 I330 I436 A443 L448	G324-M326 PolarHBondContact O-N 3.23Å; M326-S328 VanDerWaalsContact C-N 3.31Å; M326-S328 PolarHBondContact O-N 3.14Å; M326-T329 PolarHBondContact O-N 2.7Å; M326-T329 PolarHBondContact O-OG1 2.89Å; M326-I330 WeakPolarHBondContact O-CG1 3.49Å; M326-I330 PolarHBondContact O-N 3.26Å; M326-I436 HydrophobicContact CB-CD1 3.74Å; M326-I436 HydrophobicContact CE-CD1 3.96Å; M326-I436 HydrophobicContact CG-CD1 4.09Å; M326-A443 HydrophobicContact CE-CB 3.71Å; M326-A443 HydrophobicContact SD-CB 4.09Å; M326-L448 HydrophobicContact CE-CD1 4.3Å; M326-L448 HydrophobicContact CE-CD2 3.66Å
327	G	96.4	Very high	96	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.8	-40.5	-179.5	0	0	0	0	0	113	G324 T329 I330 V331	G324-G327 PolarHBondContact O-N 2.95Å; G327-T329 PolarHBondContact O-N 3.17Å; G327-I330 PolarHBondContact O-N 2.87Å; G327-V331 WeakPolarHBondContact O-CB 3.39Å; G327-V331 WeakPolarHBondContact O-CG2 3.18Å; G327-V331 PolarHBondContact O-N 2.86Å
328	S	95.6	Very high	95.8	Very high	19 Å²	19	15.8 Å²	15.8	13%	0.133	10%	0.097	C	C	.	.	H	α-helix	trans	-60	-45.7	175.5	-68.2	0	0	0	0	113.1	I297 L323 G324 M326 K332 F354	I297-S328 WeakPolarHBondContact CD1-O 3.48Å; L323-S328 PolarHBondContact O-OG 2.95Å; G324-S328 VanDerWaalsContact O-CB 3.3Å; G324-S328 WeakPolarHBondContact O-CB 3.43Å; G324-S328 PolarHBondContact O-N 3.29Å; G324-S328 PolarHBondContact O-OG 2.99Å; G324-S328 VanDerWaalsContact O-OG 3.07Å; M326-S328 VanDerWaalsContact C-N 3.31Å; M326-S328 PolarHBondContact O-N 3.14Å; S328-K332 WeakPolarHBondContact O-CB 3.22Å; S328-K332 PolarHBondContact O-N 2.9Å; S328-F354 WeakPolarHBondContact O-CE1 3.34Å
329	T	94.8	Very high	95.8	Very high	6 Å²	6	16.3 Å²	16.3	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-67.9	-37.7	178.9	48.4	0	0	0	0	111.9	I297 M326 G327 D333 A443 A444	I297-T329 HydrophobicContact CD1-CG2 4.44Å; M326-T329 PolarHBondContact O-N 2.7Å; M326-T329 PolarHBondContact O-OG1 2.89Å; G327-T329 PolarHBondContact O-N 3.17Å; T329-D333 PolarHBondContact O-N 2.85Å; T329-D333 VanDerWaalsContact O-N 3.13Å; T329-A443 HydrophobicContact CG2-CB 4.48Å; T329-A443 VanDerWaalsContact OG1-CB 3.24Å; T329-A443 WeakPolarHBondContact OG1-CB 3.35Å; T329-A444 HydrophobicContact CG2-CB 4.08Å
330	I	95.9	Very high	95.7	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-62.9	-51.9	176.6	-71.5	165.5	0	0	0	110.7	F320 M326 G327 K332 D333 L334 M409 I436 L448 I469	F320-I330 HydrophobicContact CD2-CG2 4.3Å; F320-I330 HydrophobicContact CE2-CB 4.25Å; F320-I330 HydrophobicContact CE2-CG2 3.41Å; F320-I330 VanDerWaalsContact CE2-CG2 3.41Å; F320-I330 HydrophobicContact CZ-CB 4.26Å; F320-I330 HydrophobicContact CZ-CG2 3.9Å; M326-I330 WeakPolarHBondContact O-CG1 3.49Å; M326-I330 PolarHBondContact O-N 3.26Å; G327-I330 PolarHBondContact O-N 2.87Å; I330-K332 VanDerWaalsContact C-N 3.34Å; I330-K332 PolarHBondContact O-N 2.81Å; I330-D333 PolarHBondContact O-N 2.79Å; I330-L334 HydrophobicContact CG2-CD1 4Å; I330-L334 HydrophobicContact CG2-CG 4.48Å; I330-L334 WeakPolarHBondContact O-CG 3.44Å; I330-L334 PolarHBondContact O-N 2.95Å; I330-M409 HydrophobicContact CD1-CE 3.96Å; I330-I436 HydrophobicContact CD1-CD1 3.87Å; I330-L448 HydrophobicContact CD1-CD1 4.28Å; I330-L448 HydrophobicContact CG1-CD1 4.28Å; I330-I469 HydrophobicContact CB-CG2 4.39Å; I330-I469 HydrophobicContact CD1-CD1 4.33Å; I330-I469 HydrophobicContact CG1-CB 4.49Å; I330-I469 HydrophobicContact CG1-CD1 4.1Å; I330-I469 HydrophobicContact CG1-CG2 4.32Å; I330-I469 HydrophobicContact CG2-CD1 4Å; I330-I469 HydrophobicContact CG2-CG2 4.11Å
331	V	96.9	Very high	95.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.1	-41.8	179.8	169.5	0	0	0	0	111.7	F320 L323 G327 D333 L334 I335 V341 V343 F354	F320-V331 HydrophobicContact CB-CG2 3.63Å; F320-V331 HydrophobicContact CD1-CG2 3.52Å; F320-V331 HydrophobicContact CD2-CG2 3.55Å; F320-V331 HydrophobicContact CE1-CG2 4.09Å; F320-V331 HydrophobicContact CE2-CG2 4.12Å; F320-V331 HydrophobicContact CG-CG2 3.22Å; F320-V331 HydrophobicContact CZ-CG2 4.37Å; L323-V331 HydrophobicContact CD2-CB 4.19Å; L323-V331 HydrophobicContact CD2-CG1 4.38Å; L323-V331 HydrophobicContact CD2-CG2 3.83Å; G327-V331 WeakPolarHBondContact O-CB 3.39Å; G327-V331 WeakPolarHBondContact O-CG2 3.18Å; G327-V331 PolarHBondContact O-N 2.86Å; V331-D333 PolarHBondContact O-N 2.87Å; V331-L334 PolarHBondContact O-N 3Å; V331-I335 HydrophobicContact CG1-CD1 3.81Å; V331-I335 HydrophobicContact CG1-CG1 4.44Å; V331-I335 WeakPolarHBondContact O-CG1 3.42Å; V331-I335 PolarHBondContact O-N 3.43Å; V331-V341 HydrophobicContact CG1-CG1 4.26Å; V331-V343 HydrophobicContact CG1-CG1 3.79Å; V331-V343 HydrophobicContact CG2-CG1 4.41Å; V331-F354 HydrophobicContact CB-CD1 4.17Å; V331-F354 HydrophobicContact CB-CE1 4.03Å; V331-F354 HydrophobicContact CG1-CB 4.44Å; V331-F354 HydrophobicContact CG1-CD1 3.4Å; V331-F354 HydrophobicContact CG1-CE1 3.78Å; V331-F354 HydrophobicContact CG1-CG 3.97Å
332	K	95.6	Very high	95.7	Very high	17 Å²	17	21.9 Å²	21.9	7%	0.074	12%	0.124	C	C	.	.	H	α-helix	trans	-54	-53.2	174.1	169.6	-177.6	166.5	-178.3	0	111.2	I297 D298 M299 S301 S328 I330 L334 I335 Y336 F354	I297-K332 HydrophobicContact CD1-CB 3.65Å; I297-K332 HydrophobicContact CD1-CD 3.75Å; I297-K332 HydrophobicContact CD1-CG 4.28Å; I297-K332 HydrophobicContact CG1-CD 3.82Å; D298-K332 VanDerWaalsContact O-CE 3.29Å; D298-K332 WeakPolarHBondContact O-CE 3.37Å; D298-K332 PolarHBondContact O-NZ 2.95Å; M299-K332 HydrophobicContact CE-CB 4.29Å; M299-K332 HydrophobicContact CE-CG 4.29Å; M299-K332 HydrophobicContact SD-CB 3.89Å; M299-K332 HydrophobicContact SD-CD 4.13Å; M299-K332 HydrophobicContact SD-CG 3.88Å; S301-K332 WeakPolarHBondContact O-CE 3.47Å; S301-K332 PolarHBondContact O-NZ 2.91Å; S301-K332 PolarHBondContact OG-NZ 2.86Å; S328-K332 WeakPolarHBondContact O-CB 3.22Å; S328-K332 PolarHBondContact O-N 2.9Å; I330-K332 VanDerWaalsContact C-N 3.34Å; I330-K332 PolarHBondContact O-N 2.81Å; K332-L334 VanDerWaalsContact C-N 3.31Å; K332-L334 PolarHBondContact O-N 3.48Å; K332-I335 PolarHBondContact O-N 2.65Å; K332-Y336 HydrophobicContact CD-CE2 4.45Å; K332-Y336 HydrophobicContact CG-CD2 3.75Å; K332-Y336 HydrophobicContact CG-CE2 3.94Å; K332-Y336 WeakPolarHBondContact O-CD2 3.15Å; K332-Y336 PolarHBondContact O-N 3.25Å; K332-F354 HydrophobicContact CB-CE1 4.27Å
333	D	94.7	Very high	95.7	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-65.5	-35.2	-176.7	-75.2	-0.3	0	0	0	111.9	L306 T329 I330 V331 Y336 T337 T468 I469	L306-D333 HydrophobicContact CD2-CB 3.8Å; T329-D333 PolarHBondContact O-N 2.85Å; T329-D333 VanDerWaalsContact O-N 3.13Å; I330-D333 PolarHBondContact O-N 2.79Å; V331-D333 PolarHBondContact O-N 2.87Å; D333-Y336 PolarHBondContact O-N 3.49Å; D333-T337 PolarHBondContact O-N 2.91Å; D333-T337 VanDerWaalsContact O-N 3.1Å; D333-T337 PolarHBondContact O-OG1 3.17Å; D333-T468 HydrophobicContact CB-CG2 3.72Å; D333-T468 WeakPolarHBondContact O-CG2 3.43Å; D333-I469 HydrophobicContact CB-CG2 4.3Å
334	L	95.9	Very high	95.8	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-63.6	-44.1	174.9	-68	174.7	0	0	0	112.9	I330 V331 K332 Y336 T337 G338 H339 V341 F376 C465 T468	I330-L334 HydrophobicContact CG2-CD1 4Å; I330-L334 HydrophobicContact CG2-CG 4.48Å; I330-L334 WeakPolarHBondContact O-CG 3.44Å; I330-L334 PolarHBondContact O-N 2.95Å; V331-L334 PolarHBondContact O-N 3Å; K332-L334 VanDerWaalsContact C-N 3.31Å; K332-L334 PolarHBondContact O-N 3.48Å; L334-Y336 VanDerWaalsContact C-N 3.32Å; L334-T337 PolarHBondContact O-N 3.01Å; L334-T337 PolarHBondContact O-OG1 2.81Å; L334-G338 PolarHBondContact O-N 3.16Å; L334-H339 HydrophobicContact CB-CB 4.34Å; L334-H339 WeakPolarHBondContact O-CB 3.41Å; L334-H339 PolarHBondContact O-CD2 3.45Å; L334-H339 PolarHBondContact O-N 3.26Å; L334-V341 HydrophobicContact CB-CG2 3.99Å; L334-F376 HydrophobicContact CD1-CE2 4.4Å; L334-C465 HydrophobicContact CD2-CB 3.64Å; L334-T468 HydrophobicContact CD2-CG2 4.17Å
335	I	95.4	Very high	96	Very high	31 Å²	31	22.8 Å²	22.8	16%	0.159	12%	0.121	C	C	.	.	H	α-helix	trans	-61.9	-43.3	173.9	-65.4	165	0	0	0	109.7	M299 V331 K332 T337 G338 V341 F354 A357 A359	M299-I335 HydrophobicContact CE-CD1 4.37Å; V331-I335 HydrophobicContact CG1-CD1 3.81Å; V331-I335 HydrophobicContact CG1-CG1 4.44Å; V331-I335 WeakPolarHBondContact O-CG1 3.42Å; V331-I335 PolarHBondContact O-N 3.43Å; K332-I335 PolarHBondContact O-N 2.65Å; I335-T337 VanDerWaalsContact C-N 3.26Å; I335-T337 PolarHBondContact O-N 3.1Å; I335-G338 PolarHBondContact O-N 2.87Å; I335-V341 HydrophobicContact CG1-CB 4.38Å; I335-V341 HydrophobicContact CG1-CG2 4.09Å; I335-F354 HydrophobicContact CD1-CB 4.26Å; I335-F354 HydrophobicContact CD1-CD1 3.97Å; I335-A357 HydrophobicContact CD1-CB 4.38Å; I335-A357 HydrophobicContact CG2-CB 4.17Å; I335-A357 WeakPolarHBondContact CG2-O 3.49Å; I335-A359 HydrophobicContact CD1-CB 3.93Å
336	Y	92.8	Very high	96.1	Very high	72 Å²	72	29.6 Å²	29.6	28%	0.282	14%	0.143	S	C	.	.	H	α-helix	trans	-63	-25.3	179.1	-98.3	-68.8	0	0	0	115	M299 S300 R302 K332 D333 L334	M299-Y336 WeakPolarHBondContact O-CE2 3.47Å; M299-Y336 PolarHBondContact O-OH 3.45Å; S300-Y336 VanDerWaalsContact C-OH 3.26Å; S300-Y336 WeakPolarHBondContact CA-OH 3.48Å; S300-Y336 PolarHBondContact O-OH 2.8Å; R302-Y336 HydrophobicContact CB-CD1 4.38Å; R302-Y336 HydrophobicContact CB-CE1 4.26Å; R302-Y336 HydrophobicContact CG-CD1 4.49Å; K332-Y336 HydrophobicContact CD-CE2 4.45Å; K332-Y336 HydrophobicContact CG-CD2 3.75Å; K332-Y336 HydrophobicContact CG-CE2 3.94Å; K332-Y336 WeakPolarHBondContact O-CD2 3.15Å; K332-Y336 PolarHBondContact O-N 3.25Å; D333-Y336 PolarHBondContact O-N 3.49Å; L334-Y336 VanDerWaalsContact C-N 3.32Å
337	T	93.4	Very high	96	Very high	15 Å²	15	31.3 Å²	31.3	9%	0.092	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	6.2	173.2	58.3	0	0	0	0	113.5	L306 I311 D333 L334 I335 H339 T468	L306-T337 HydrophobicContact CD1-CG2 3.74Å; L306-T337 HydrophobicContact CD2-CG2 4.29Å; L306-T337 HydrophobicContact CG-CG2 4.21Å; I311-T337 HydrophobicContact CB-CG2 4.29Å; I311-T337 HydrophobicContact CD1-CG2 3.8Å; I311-T337 HydrophobicContact CG2-CG2 4.13Å; D333-T337 PolarHBondContact O-N 2.91Å; D333-T337 VanDerWaalsContact O-N 3.1Å; D333-T337 PolarHBondContact O-OG1 3.17Å; L334-T337 PolarHBondContact O-N 3.01Å; L334-T337 PolarHBondContact O-OG1 2.81Å; I335-T337 VanDerWaalsContact C-N 3.26Å; I335-T337 PolarHBondContact O-N 3.1Å; T337-H339 PolarHBondContact OG1-CD2 3.45Å; T337-H339 PolarHBondContact OG1-NE2 3.33Å; T337-T468 HydrophobicContact CG2-CG2 3.81Å; T337-T468 PolarHBondContact OG1-OG1 3.34Å
338	G	94.8	Very high	95.8	Very high	50 Å²	50	35.4 Å²	35.4	52%	0.515	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	18.3	174.5	0	0	0	0	0	115.1	P313 L334 I335	P313-G338 WeakPolarHBondContact CB-O 3.29Å; L334-G338 PolarHBondContact O-N 3.16Å; I335-G338 PolarHBondContact O-N 2.87Å
339	H	97.1	Very high	95.7	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.046	20%	0.201	C	C	.	.			trans	-70.4	141.7	170.1	-67.2	-70	0	0	0	110.8	S314 F318 L334 T337 V341 S464	S314-H339 PolarHBondContact N-CE1 3.37Å; S314-H339 PolarHBondContact N-ND1 3.13Å; F318-H339 HydrophobicContact CD2-CB 4.2Å; F318-H339 AromaticContact CE2-ND1 3.73Å; L334-H339 HydrophobicContact CB-CB 4.34Å; L334-H339 WeakPolarHBondContact O-CB 3.41Å; L334-H339 PolarHBondContact O-CD2 3.45Å; L334-H339 PolarHBondContact O-N 3.26Å; T337-H339 PolarHBondContact OG1-CD2 3.45Å; T337-H339 PolarHBondContact OG1-NE2 3.33Å; H339-V341 HydrophobicContact CB-CG2 4.25Å; H339-V341 PolarHBondContact O-N 3.08Å; H339-S464 PolarHBondContact CE1-OG 2.89Å
340	K	97.7	Very high	95.6	Very high	106 Å²	106	44.3 Å²	44.3	46%	0.461	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	118.9	168.1	-61.6	168.2	-164	151.9	0	107.8	E315 T317 F318	E315-K340 PolarHBondContact O-NZ 3.27Å; E315-K340 IonicContact OE2-NZ 2.75Å; E315-K340 PolarHBondContact OE2-NZ 3.37Å; T317-K340 HydrophobicContact CG2-CB 4.4Å; F318-K340 PolarHBondContact N-O 3.31Å
341	V	98.2	Very high	95.6	Very high	8 Å²	8	44.3 Å²	44.3	5%	0.048	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.4	-178.3	-167.2	0	0	0	0	111.2	F318 F320 V331 L334 I335 H339 V343 A359 E360	F318-V341 CarbonylContact O-C 3.6Å; F318-V341 VanDerWaalsContact O-CA 3.27Å; F318-V341 WeakPolarHBondContact O-CA 3.19Å; F318-V341 WeakPolarHBondContact O-CG1 3.02Å; F320-V341 HydrophobicContact CB-CG1 4.31Å; V331-V341 HydrophobicContact CG1-CG1 4.26Å; L334-V341 HydrophobicContact CB-CG2 3.99Å; I335-V341 HydrophobicContact CG1-CB 4.38Å; I335-V341 HydrophobicContact CG1-CG2 4.09Å; H339-V341 HydrophobicContact CB-CG2 4.25Å; H339-V341 PolarHBondContact O-N 3.08Å; V341-V343 HydrophobicContact CG1-CG1 3.76Å; V341-A359 WeakPolarHBondContact O-CA 3.29Å; V341-E360 PolarHBondContact O-N 3.01Å
342	V	98.6	Very high	95.5	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.8	170.9	-174.9	0	0	0	0	107.5	T317 F318 G319 F320 E360 K362 V368 A371	T317-V342 HydrophobicContact CG2-CG2 3.54Å; F318-V342 PolarHBondContact O-N 3.37Å; G319-V342 CarbonylContact C-O 3.54Å; G319-V342 VanDerWaalsContact CA-O 3.29Å; G319-V342 WeakPolarHBondContact CA-O 3.45Å; F320-V342 PolarHBondContact N-O 3.38Å; V342-E360 CarbonylContact C-O 3.42Å; V342-E360 WeakPolarHBondContact CA-O 3.4Å; V342-E360 HydrophobicContact CG1-CB 4.33Å; V342-E360 HydrophobicContact CG1-CG 4.48Å; V342-E360 HydrophobicContact CG2-CB 4.22Å; V342-K362 HydrophobicContact CG1-CD 4.39Å; V342-K362 HydrophobicContact CG1-CG 3.52Å; V342-V368 HydrophobicContact CB-CG1 4.48Å; V342-V368 HydrophobicContact CG1-CG1 4.31Å; V342-V368 HydrophobicContact CG1-CG2 4.24Å; V342-A371 HydrophobicContact CG1-CB 4.27Å; V342-A371 HydrophobicContact CG2-CB 4.3Å
343	V	98.6	Very high	95.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	145.7	-171.7	-58.9	0	0	0	0	112.8	F320 L323 V331 V341 C351 F354 A359 E360 V361 K362	F320-V343 HydrophobicContact CB-CG1 4.38Å; L323-V343 HydrophobicContact CD1-CB 4.35Å; L323-V343 HydrophobicContact CD1-CG2 4.43Å; V331-V343 HydrophobicContact CG1-CG1 3.79Å; V331-V343 HydrophobicContact CG2-CG1 4.41Å; V341-V343 HydrophobicContact CG1-CG1 3.76Å; V343-C351 HydrophobicContact CG2-CB 4.35Å; V343-F354 HydrophobicContact CG2-CB 4.44Å; V343-A359 HydrophobicContact CG1-CB 4.09Å; V343-A359 HydrophobicContact CG2-CB 4.3Å; V343-E360 PolarHBondContact N-O 3.49Å; V343-V361 HydrophobicContact CG2-CB 4.48Å; V343-V361 HydrophobicContact CG2-CG2 3.89Å; V343-K362 PolarHBondContact O-N 3.22Å; V343-K362 VanDerWaalsContact O-N 3.12Å
344	W	98.3	Very high	95.6	Very high	29 Å²	29	50.2 Å²	50.2	11%	0.11	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	144.5	166.2	175.2	93.4	0	0	0	111.3	F320 L321 G322 R346 D363 T364 P365 V368 L388	F320-W344 PolarHBondContact O-N 3.43Å; L321-W344 HydrophobicContact CB-CE3 4.48Å; L321-W344 HydrophobicContact CD2-CB 3.95Å; L321-W344 HydrophobicContact CD2-CE3 4.21Å; G322-W344 PolarHBondContact N-O 3.36Å; W344-R346 HydrophobicContact CH2-CB 3.71Å; W344-R346 HydrophobicContact CZ2-CB 4.09Å; W344-R346 HydrophobicContact CZ3-CB 4.43Å; W344-D363 VanDerWaalsContact CD1-C 3.4Å; W344-D363 VanDerWaalsContact CD1-O 3.24Å; W344-D363 PolarHBondContact NE1-O 2.94Å; W344-T364 VanDerWaalsContact CD1-C 3.47Å; W344-P365 HydrophobicContact CD2-CG 3.96Å; W344-P365 HydrophobicContact CE3-CG 4.02Å; W344-P365 HydrophobicContact CH2-CG 3.98Å; W344-P365 HydrophobicContact CZ2-CG 3.92Å; W344-P365 HydrophobicContact CZ3-CG 4.05Å; W344-V368 HydrophobicContact CB-CG2 3.46Å; W344-V368 VanDerWaalsContact CB-CG2 3.46Å; W344-V368 HydrophobicContact CG-CG2 4.5Å; W344-L388 HydrophobicContact CE3-CD2 4.4Å; W344-L388 HydrophobicContact CH2-CD2 3.47Å; W344-L388 VanDerWaalsContact CH2-CD2 3.47Å; W344-L388 HydrophobicContact CZ3-CD1 4.17Å; W344-L388 HydrophobicContact CZ3-CD2 3.39Å; W344-L388 HydrophobicContact CZ3-CG 4.45Å
345	N	97.6	Very high	95.6	Very high	18 Å²	18	52 Å²	52	10%	0.096	26%	0.264	C	S	.	.			trans	-151.6	134.9	169.3	-179.1	76.4	0	0	0	111.2	L323 T347 I348	L323-N345 HydrophobicContact CB-CB 3.88Å; L323-N345 HydrophobicContact CD1-CB 3.96Å; L323-N345 HydrophobicContact CG-CB 3.92Å; L323-N345 PolarHBondContact N-OD1 3.38Å; N345-T347 PolarHBondContact ND2-N 3.43Å; N345-T347 PolarHBondContact ND2-O 2.89Å; N345-T347 CarbonylContact O-C 3.42Å; N345-T347 VanDerWaalsContact O-C 3.31Å; N345-T347 PolarHBondContact O-N 2.87Å; N345-I348 PolarHBondContact O-N 2.97Å
346	R	94.3	Very high	95.6	Very high	200 Å²	200	57.2 Å²	57.2	76%	0.755	29%	0.288	S	S	*	.	S	Bend	trans	-48.5	-23.7	178.1	-171.1	176.7	65.8	-162.3	-3.7	115.6	W344	W344-R346 HydrophobicContact CH2-CB 3.71Å; W344-R346 HydrophobicContact CZ2-CB 4.09Å; W344-R346 HydrophobicContact CZ3-CB 4.43Å
347	T	93.6	Very high	95.7	Very high	69 Å²	69	55.8 Å²	55.8	42%	0.423	29%	0.291	S	S	.	.	S	Bend	trans	-109.5	99.3	168.6	-54	0	0	0	0	107.7	N345 D349 K350	N345-T347 PolarHBondContact ND2-N 3.43Å; N345-T347 PolarHBondContact ND2-O 2.89Å; N345-T347 CarbonylContact O-C 3.42Å; N345-T347 VanDerWaalsContact O-C 3.31Å; N345-T347 PolarHBondContact O-N 2.87Å; T347-D349 HydrophobicContact CG2-CB 4.42Å; T347-D349 PolarHBondContact O-N 3.38Å; T347-K350 HydrophobicContact CG2-CG 4.48Å; T347-K350 WeakPolarHBondContact O-CB 3.08Å; T347-K350 PolarHBondContact O-N 3.03Å
348	I	91.6	Very high	95.7	Very high	87 Å²	87	58.3 Å²	58.3	45%	0.446	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-59.1	-33.1	-170.2	-165.5	64.8	0	0	0	112.9	N345 K350 C351 V361	N345-I348 PolarHBondContact O-N 2.97Å; I348-K350 PolarHBondContact O-N 3.23Å; I348-C351 HydrophobicContact CD1-CB 4.44Å; I348-C351 VanDerWaalsContact O-CB 3.28Å; I348-C351 WeakPolarHBondContact O-CB 3.39Å; I348-C351 PolarHBondContact O-N 3.12Å; I348-V361 HydrophobicContact CD1-CG1 3.75Å
349	D	92.9	Very high	95.8	Very high	118 Å²	118	56.4 Å²	56.4	63%	0.631	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-52.6	-25.1	175.5	-47.8	-15.4	0	0	0	113.6	T347 C351	T347-D349 HydrophobicContact CG2-CB 4.42Å; T347-D349 PolarHBondContact O-N 3.38Å; D349-C351 VanDerWaalsContact C-N 3.34Å
350	K	94.3	Very high	95.9	Very high	93 Å²	93	60.5 Å²	60.5	40%	0.404	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-76.2	-18.7	176.6	-65	-157.8	-179.1	-176.6	0	114.2	L323 T347 I348 Q352 F354	L323-K350 HydrophobicContact CB-CB 4.17Å; L323-K350 WeakPolarHBondContact O-CD 3.43Å; L323-K350 PolarHBondContact O-NZ 3.13Å; T347-K350 HydrophobicContact CG2-CG 4.48Å; T347-K350 WeakPolarHBondContact O-CB 3.08Å; T347-K350 PolarHBondContact O-N 3.03Å; I348-K350 PolarHBondContact O-N 3.23Å; K350-Q352 VanDerWaalsContact C-N 3.34Å; K350-F354 WeakPolarHBondContact O-CD2 3.39Å; K350-F354 WeakPolarHBondContact O-CE2 3.41Å
351	C	95.9	Very high	95.9	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.014	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-25.5	177.5	-59.2	0	0	0	0	111.7	L323 V343 I348 D349 F354 A355 V361	L323-C351 HydrophobicContact CD1-CB 4.2Å; V343-C351 HydrophobicContact CG2-CB 4.35Å; I348-C351 HydrophobicContact CD1-CB 4.44Å; I348-C351 VanDerWaalsContact O-CB 3.28Å; I348-C351 WeakPolarHBondContact O-CB 3.39Å; I348-C351 PolarHBondContact O-N 3.12Å; D349-C351 VanDerWaalsContact C-N 3.34Å; C351-F354 WeakPolarHBondContact O-CB 3.26Å; C351-F354 PolarHBondContact O-N 3.34Å; C351-A355 PolarHBondContact O-N 3.11Å; C351-V361 HydrophobicContact CB-CB 4.48Å; C351-V361 HydrophobicContact CB-CG1 3.7Å; C351-V361 HydrophobicContact CB-CG2 3.86Å
352	Q	95	Very high	95.9	Very high	107 Å²	107	59.8 Å²	59.8	50%	0.5	32%	0.318	S	S	.	.	H	α-helix	trans	-50.6	-48.5	-172.4	-175	64	25.5	0	0	114.6	K350 F354 A355 E356	K350-Q352 VanDerWaalsContact C-N 3.34Å; Q352-F354 PolarHBondContact O-N 2.6Å; Q352-A355 PolarHBondContact O-N 3.02Å; Q352-E356 WeakPolarHBondContact CG-OE1 3.37Å; Q352-E356 PolarHBondContact NE2-OE1 3.04Å; Q352-E356 WeakPolarHBondContact O-CG 3.44Å; Q352-E356 PolarHBondContact O-N 3.05Å
353	P	94.7	Very high	95.7	Very high	34 Å²	34	66.1 Å²	66.1	22%	0.221	35%	0.352	C	S	.	.	H	α-helix	trans	-67.1	-21.2	-179.3	-19.2	33.8	0	0	0	113.7	I297 M299 A357	I297-P353 HydrophobicContact CG2-CB 4.33Å; M299-P353 HydrophobicContact CG-CB 3.77Å; P353-A357 WeakPolarHBondContact O-CB 3.34Å; P353-A357 PolarHBondContact O-N 3.35Å
354	F	96.7	Very high	95.6	Very high	1 Å²	1	67.6 Å²	67.6	0%	0.004	36%	0.361	C	S	.	.	H	α-helix	trans	-87.3	-36.2	177.9	-54.5	-76.5	0	0	0	111.2	I297 M299 L323 S328 V331 K332 I335 V343 K350 C351 Q352 E356 A357 G358 A359	I297-F354 HydrophobicContact CD1-CE1 4.23Å; I297-F354 HydrophobicContact CD1-CZ 4.1Å; I297-F354 HydrophobicContact CG2-CE2 4.44Å; I297-F354 HydrophobicContact CG2-CZ 3.94Å; M299-F354 HydrophobicContact CE-CD1 3.81Å; M299-F354 HydrophobicContact CE-CE1 4.11Å; M299-F354 HydrophobicContact SD-CD1 4.05Å; M299-F354 HydrophobicContact SD-CE1 3.78Å; L323-F354 HydrophobicContact CB-CE2 4.42Å; L323-F354 HydrophobicContact CD1-CD2 3.66Å; L323-F354 HydrophobicContact CD1-CE2 3.86Å; L323-F354 HydrophobicContact CD2-CD2 4.14Å; L323-F354 HydrophobicContact CD2-CE2 3.93Å; L323-F354 HydrophobicContact CD2-CZ 4.29Å; L323-F354 HydrophobicContact CG-CD2 4.46Å; L323-F354 HydrophobicContact CG-CE2 4.29Å; S328-F354 WeakPolarHBondContact O-CE1 3.34Å; V331-F354 HydrophobicContact CB-CD1 4.17Å; V331-F354 HydrophobicContact CB-CE1 4.03Å; V331-F354 HydrophobicContact CG1-CB 4.44Å; V331-F354 HydrophobicContact CG1-CD1 3.4Å; V331-F354 HydrophobicContact CG1-CE1 3.78Å; V331-F354 HydrophobicContact CG1-CG 3.97Å; K332-F354 HydrophobicContact CB-CE1 4.27Å; I335-F354 HydrophobicContact CD1-CB 4.26Å; I335-F354 HydrophobicContact CD1-CD1 3.97Å; V343-F354 HydrophobicContact CG2-CB 4.44Å; K350-F354 WeakPolarHBondContact O-CD2 3.39Å; K350-F354 WeakPolarHBondContact O-CE2 3.41Å; C351-F354 WeakPolarHBondContact O-CB 3.26Å; C351-F354 PolarHBondContact O-N 3.34Å; Q352-F354 PolarHBondContact O-N 2.6Å; F354-E356 VanDerWaalsContact C-N 3.34Å; F354-A357 CarbonylContact O-C 3.58Å; F354-A357 WeakPolarHBondContact O-CA 3.47Å; F354-A357 PolarHBondContact O-N 3.03Å; F354-A357 VanDerWaalsContact O-N 3.1Å; F354-G358 PolarHBondContact O-N 3.48Å; F354-G358 VanDerWaalsContact O-N 3.14Å; F354-A359 HydrophobicContact CB-CB 4.02Å; F354-A359 WeakPolarHBondContact O-CB 3.42Å; F354-A359 PolarHBondContact O-N 3.35Å
355	A	96.3	Very high	95.5	Very high	38 Å²	38	66.6 Å²	66.6	31%	0.314	36%	0.359	S	S	.	.	H	α-helix	trans	-58.7	-46.1	170.1	0	0	0	0	0	111.3	C351 Q352 A357 G358 A359 V361	C351-A355 PolarHBondContact O-N 3.11Å; Q352-A355 PolarHBondContact O-N 3.02Å; A355-A357 PolarHBondContact O-N 2.82Å; A355-G358 PolarHBondContact O-N 3.22Å; A355-A359 WeakPolarHBondContact CA-O 3.37Å; A355-V361 HydrophobicContact CB-CG2 3.71Å
356	E	95.4	Very high	95.5	Very high	142 Å²	142	67.8 Å²	67.8	66%	0.664	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.9	174.5	-71.2	169.9	-172.3	0	0	113.1	Q352 F354	Q352-E356 WeakPolarHBondContact CG-OE1 3.37Å; Q352-E356 PolarHBondContact NE2-OE1 3.04Å; Q352-E356 WeakPolarHBondContact O-CG 3.44Å; Q352-E356 PolarHBondContact O-N 3.05Å; F354-E356 VanDerWaalsContact C-N 3.34Å
357	A	94.8	Very high	95.6	Very high	41 Å²	41	60.5 Å²	60.5	34%	0.339	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	4.7	175.2	0	0	0	0	0	113.9	M299 I335 P353 F354 A355	M299-A357 HydrophobicContact CE-CB 3.48Å; M299-A357 VanDerWaalsContact CE-CB 3.48Å; I335-A357 HydrophobicContact CD1-CB 4.38Å; I335-A357 HydrophobicContact CG2-CB 4.17Å; I335-A357 WeakPolarHBondContact CG2-O 3.49Å; P353-A357 WeakPolarHBondContact O-CB 3.34Å; P353-A357 PolarHBondContact O-N 3.35Å; F354-A357 CarbonylContact O-C 3.58Å; F354-A357 WeakPolarHBondContact O-CA 3.47Å; F354-A357 PolarHBondContact O-N 3.03Å; F354-A357 VanDerWaalsContact O-N 3.1Å; A355-A357 PolarHBondContact O-N 2.82Å
358	G	94.1	Very high	95.9	Very high	69 Å²	69	57.2 Å²	57.2	71%	0.711	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	10.4	174.7	0	0	0	0	0	116.4	F354 A355	F354-G358 PolarHBondContact O-N 3.48Å; F354-G358 VanDerWaalsContact O-N 3.14Å; A355-G358 PolarHBondContact O-N 3.22Å
359	A	97.1	Very high	96.1	Very high	9 Å²	9	53.1 Å²	53.1	7%	0.074	30%	0.299	C	S	.	.			trans	-75.6	140.1	168.7	0	0	0	0	0	111.2	I335 V341 V343 F354 A355	I335-A359 HydrophobicContact CD1-CB 3.93Å; V341-A359 WeakPolarHBondContact O-CA 3.29Å; V343-A359 HydrophobicContact CG1-CB 4.09Å; V343-A359 HydrophobicContact CG2-CB 4.3Å; F354-A359 HydrophobicContact CB-CB 4.02Å; F354-A359 WeakPolarHBondContact O-CB 3.42Å; F354-A359 PolarHBondContact O-N 3.35Å; A355-A359 WeakPolarHBondContact CA-O 3.37Å
360	E	97.8	Very high	96.3	Very high	96 Å²	96	52.7 Å²	52.7	45%	0.449	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	134.7	171.7	-174.2	178.9	176.3	0	0	109.6	V341 V342 V343 K362	V341-E360 PolarHBondContact O-N 3.01Å; V342-E360 CarbonylContact C-O 3.42Å; V342-E360 WeakPolarHBondContact CA-O 3.4Å; V342-E360 HydrophobicContact CG1-CB 4.33Å; V342-E360 HydrophobicContact CG1-CG 4.48Å; V342-E360 HydrophobicContact CG2-CB 4.22Å; V343-E360 PolarHBondContact N-O 3.49Å; E360-K362 VanDerWaalsContact OE1-CE 3.24Å; E360-K362 WeakPolarHBondContact OE1-CE 3.12Å; E360-K362 IonicContact OE1-NZ 3.34Å; E360-K362 PolarHBondContact OE1-NZ 2.92Å
361	V	98.1	Very high	96.5	Very high	49 Å²	49	49.9 Å²	49.9	30%	0.297	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136.1	176.1	-173.4	0	0	0	0	109.4	V343 I348 C351 A355	V343-V361 HydrophobicContact CG2-CB 4.48Å; V343-V361 HydrophobicContact CG2-CG2 3.89Å; I348-V361 HydrophobicContact CD1-CG1 3.75Å; C351-V361 HydrophobicContact CB-CB 4.48Å; C351-V361 HydrophobicContact CB-CG1 3.7Å; C351-V361 HydrophobicContact CB-CG2 3.86Å; A355-V361 HydrophobicContact CB-CG2 3.71Å
362	K	97.8	Very high	96.6	Very high	50 Å²	50	49.8 Å²	49.8	22%	0.217	29%	0.287	C	S	.	.			trans	-116.7	162.5	172.6	-61.9	-61.2	-156.7	-171	0	111.9	V342 V343 E360 D367 V368 A371	V342-K362 HydrophobicContact CG1-CD 4.39Å; V342-K362 HydrophobicContact CG1-CG 3.52Å; V343-K362 PolarHBondContact O-N 3.22Å; V343-K362 VanDerWaalsContact O-N 3.12Å; E360-K362 VanDerWaalsContact OE1-CE 3.24Å; E360-K362 WeakPolarHBondContact OE1-CE 3.12Å; E360-K362 IonicContact OE1-NZ 3.34Å; E360-K362 PolarHBondContact OE1-NZ 2.92Å; K362-D367 HydrophobicContact CB-CB 3.74Å; K362-D367 HydrophobicContact CD-CB 4.08Å; K362-D367 HydrophobicContact CG-CB 3.97Å; K362-V368 HydrophobicContact CB-CG2 3.78Å; K362-V368 HydrophobicContact CG-CG2 4Å; K362-A371 VanDerWaalsContact CE-CB 3.49Å
363	D	95.3	Very high	96.7	Very high	136 Å²	136	47.9 Å²	47.9	73%	0.727	28%	0.28	S	S	*	.	S	Bend	trans	-85.6	-32.6	-175.8	-65.1	-45.5	0	0	0	113.4	W344	W344-D363 VanDerWaalsContact CD1-C 3.4Å; W344-D363 VanDerWaalsContact CD1-O 3.24Å; W344-D363 PolarHBondContact NE1-O 2.94Å
364	T	96.5	Very high	96.9	Very high	31 Å²	31	46.3 Å²	46.3	19%	0.19	27%	0.27	C	S	.	.	S	Bend	trans	-129.2	160.3	179.5	77.9	0	0	0	0	113.3	W344 M366 D367 V368 C393	W344-T364 VanDerWaalsContact CD1-C 3.47Å; T364-M366 VanDerWaalsContact C-N 3.25Å; T364-M366 PolarHBondContact O-N 2.8Å; T364-M366 PolarHBondContact OG1-N 2.83Å; T364-D367 WeakPolarHBondContact CA-OD2 3.42Å; T364-D367 VanDerWaalsContact CB-OD2 3.27Å; T364-D367 WeakPolarHBondContact CB-OD2 3.4Å; T364-D367 WeakPolarHBondContact CG2-OD2 3.49Å; T364-D367 PolarHBondContact N-OD2 2.82Å; T364-D367 PolarHBondContact O-N 3.04Å; T364-D367 PolarHBondContact OG1-N 2.93Å; T364-D367 PolarHBondContact OG1-OD1 2.89Å; T364-D367 PolarHBondContact OG1-OD2 3.07Å; T364-V368 PolarHBondContact O-N 3.07Å; T364-C393 HydrophobicContact CG2-CB 3.79Å
365	P	96.7	Very high	97	Very high	9 Å²	9	46.3 Å²	46.3	6%	0.058	27%	0.27	C	S	.	.	H	α-helix	trans	-57.7	-36.4	170.5	-25.4	34.5	0	0	0	113.5	L321 W344 V368 V369 L388 C393	L321-P365 HydrophobicContact CD1-CB 4.11Å; L321-P365 HydrophobicContact CD2-CB 4Å; W344-P365 HydrophobicContact CD2-CG 3.96Å; W344-P365 HydrophobicContact CE3-CG 4.02Å; W344-P365 HydrophobicContact CH2-CG 3.98Å; W344-P365 HydrophobicContact CZ2-CG 3.92Å; W344-P365 HydrophobicContact CZ3-CG 4.05Å; P365-V368 PolarHBondContact O-N 3.48Å; P365-V369 VanDerWaalsContact O-CG2 3.28Å; P365-V369 WeakPolarHBondContact O-CG2 3.35Å; P365-V369 PolarHBondContact O-N 3.02Å; P365-V369 VanDerWaalsContact O-N 3.15Å; P365-L388 HydrophobicContact CG-CD2 3.74Å; P365-C393 VanDerWaalsContact CD-O 3.29Å; P365-C393 WeakPolarHBondContact CD-O 3.48Å
366	M	97	Very high	97.1	Very high	43 Å²	43	44.7 Å²	44.7	21%	0.212	26%	0.256	C	S	.	.	H	α-helix	trans	-58.8	-48.2	176.8	-174.7	174.6	-174.9	0	0	111.7	T364 V368 V369 E370 C393 Q397 L398	T364-M366 VanDerWaalsContact C-N 3.25Å; T364-M366 PolarHBondContact O-N 2.8Å; T364-M366 PolarHBondContact OG1-N 2.83Å; M366-V368 VanDerWaalsContact C-N 3.26Å; M366-V368 PolarHBondContact O-N 2.95Å; M366-V369 CarbonylContact O-C 3.51Å; M366-V369 WeakPolarHBondContact O-CA 3.3Å; M366-V369 WeakPolarHBondContact O-CB 3.3Å; M366-V369 PolarHBondContact O-N 3Å; M366-E370 PolarHBondContact O-N 2.9Å; M366-C393 WeakPolarHBondContact CB-O 3.46Å; M366-C393 PolarHBondContact N-O 3.08Å; M366-Q397 HydrophobicContact CE-CB 3.83Å; M366-Q397 HydrophobicContact CG-CB 4.37Å; M366-Q397 HydrophobicContact SD-CB 3.49Å; M366-Q397 WeakPolarHBondContact SD-CB 3.47Å; M366-Q397 HydrophobicContact SD-CG 4.44Å; M366-L398 HydrophobicContact CE-CD2 3.8Å; M366-L398 HydrophobicContact CE-CG 4.02Å; M366-L398 HydrophobicContact CG-CG 4.11Å
367	D	96.9	Very high	97.3	Very high	46 Å²	46	37.9 Å²	37.9	25%	0.246	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-32.2	179.3	-52.2	-44.9	0	0	0	112.9	K362 T364 A371	K362-D367 HydrophobicContact CB-CB 3.74Å; K362-D367 HydrophobicContact CD-CB 4.08Å; K362-D367 HydrophobicContact CG-CB 3.97Å; T364-D367 WeakPolarHBondContact CA-OD2 3.42Å; T364-D367 VanDerWaalsContact CB-OD2 3.27Å; T364-D367 WeakPolarHBondContact CB-OD2 3.4Å; T364-D367 WeakPolarHBondContact CG2-OD2 3.49Å; T364-D367 PolarHBondContact N-OD2 2.82Å; T364-D367 PolarHBondContact O-N 3.04Å; T364-D367 PolarHBondContact OG1-N 2.93Å; T364-D367 PolarHBondContact OG1-OD1 2.89Å; T364-D367 PolarHBondContact OG1-OD2 3.07Å; D367-A371 WeakPolarHBondContact O-CB 3.36Å; D367-A371 PolarHBondContact O-N 3.35Å; D367-A371 VanDerWaalsContact O-N 3.13Å
368	V	98	Very high	97.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.8	-41.5	172.6	177.3	0	0	0	0	110.5	G319 L321 V342 W344 K362 T364 P365 M366 E370 A371 A372	G319-V368 VanDerWaalsContact CA-CG1 3.4Å; L321-V368 HydrophobicContact CD2-CB 3.92Å; L321-V368 HydrophobicContact CD2-CG1 4.02Å; L321-V368 HydrophobicContact CD2-CG2 3.98Å; V342-V368 HydrophobicContact CB-CG1 4.48Å; V342-V368 HydrophobicContact CG1-CG1 4.31Å; V342-V368 HydrophobicContact CG1-CG2 4.24Å; W344-V368 HydrophobicContact CB-CG2 3.46Å; W344-V368 VanDerWaalsContact CB-CG2 3.46Å; W344-V368 HydrophobicContact CG-CG2 4.5Å; K362-V368 HydrophobicContact CB-CG2 3.78Å; K362-V368 HydrophobicContact CG-CG2 4Å; T364-V368 PolarHBondContact O-N 3.07Å; P365-V368 PolarHBondContact O-N 3.48Å; M366-V368 VanDerWaalsContact C-N 3.26Å; M366-V368 PolarHBondContact O-N 2.95Å; V368-E370 VanDerWaalsContact C-N 3.34Å; V368-A371 PolarHBondContact O-N 3.38Å; V368-A372 VanDerWaalsContact O-CB 3.24Å; V368-A372 WeakPolarHBondContact O-CB 3.34Å; V368-A372 PolarHBondContact O-N 2.97Å
369	V	97.7	Very high	97.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-68.1	-35.7	178.5	-177.6	0	0	0	0	110.8	P365 M366 I375 V395 L398 L401 K404	P365-V369 VanDerWaalsContact O-CG2 3.28Å; P365-V369 WeakPolarHBondContact O-CG2 3.35Å; P365-V369 PolarHBondContact O-N 3.02Å; P365-V369 VanDerWaalsContact O-N 3.15Å; M366-V369 CarbonylContact O-C 3.51Å; M366-V369 WeakPolarHBondContact O-CA 3.3Å; M366-V369 WeakPolarHBondContact O-CB 3.3Å; M366-V369 PolarHBondContact O-N 3Å; V369-I375 HydrophobicContact CB-CD1 4.33Å; V369-I375 HydrophobicContact CB-CG1 4.29Å; V369-I375 HydrophobicContact CG1-CD1 3.96Å; V369-I375 HydrophobicContact CG1-CG1 4.43Å; V369-I375 HydrophobicContact CG2-CD1 4.33Å; V369-I375 HydrophobicContact CG2-CG1 3.92Å; V369-I375 HydrophobicContact CG2-CG2 4.23Å; V369-V395 HydrophobicContact CG1-CG1 4.31Å; V369-V395 HydrophobicContact CG2-CB 4.24Å; V369-V395 HydrophobicContact CG2-CG1 3.88Å; V369-V395 HydrophobicContact CG2-CG2 3.98Å; V369-L398 HydrophobicContact CB-CD1 3.87Å; V369-L398 HydrophobicContact CG1-CD1 3.56Å; V369-L401 HydrophobicContact CG1-CD2 3.56Å; V369-K404 WeakPolarHBondContact O-CD 3.45Å; V369-K404 WeakPolarHBondContact O-CE 3.25Å; V369-K404 PolarHBondContact O-NZ 3.31Å
370	E	96.9	Very high	97.4	Very high	109 Å²	109	36.7 Å²	36.7	51%	0.509	20%	0.2	S	C	.	.	H	α-helix	trans	-60.6	-47.9	171.1	-69.8	-169.4	174.6	0	0	111.8	M366 V368 L398 K404	M366-E370 PolarHBondContact O-N 2.9Å; V368-E370 VanDerWaalsContact C-N 3.34Å; E370-L398 HydrophobicContact CG-CD1 3.8Å; E370-L398 HydrophobicContact CG-CD2 3.82Å; E370-L398 HydrophobicContact CG-CG 4.29Å; E370-K404 PolarHBondContact O-NZ 3.26Å
371	A	97.3	Very high	97.3	Very high	35 Å²	35	34.3 Å²	34.3	29%	0.289	19%	0.191	S	C	.	.	H	α-helix	trans	-80.4	-20.7	-173.4	0	0	0	0	0	115.8	V342 K362 D367 V368	V342-A371 HydrophobicContact CG1-CB 4.27Å; V342-A371 HydrophobicContact CG2-CB 4.3Å; K362-A371 VanDerWaalsContact CE-CB 3.49Å; D367-A371 WeakPolarHBondContact O-CB 3.36Å; D367-A371 PolarHBondContact O-N 3.35Å; D367-A371 VanDerWaalsContact O-N 3.13Å; V368-A371 PolarHBondContact O-N 3.38Å
372	A	98	Very high	97.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.			trans	-112.3	154.5	-174.6	0	0	0	0	0	114.1	T317 V368 I375 K404	T317-A372 HydrophobicContact CG2-CB 4.31Å; T317-A372 WeakPolarHBondContact O-CB 3.42Å; V368-A372 VanDerWaalsContact O-CB 3.24Å; V368-A372 WeakPolarHBondContact O-CB 3.34Å; V368-A372 PolarHBondContact O-N 2.97Å; A372-I375 HydrophobicContact CB-CG1 4.24Å; A372-K404 WeakPolarHBondContact O-CD 3.49Å; A372-K404 PolarHBondContact O-NZ 3.31Å
373	D	98	Very high	97.2	Very high	67 Å²	67	36 Å²	36	36%	0.358	20%	0.196	S	C	.	.	S	Bend	trans	-85.5	-41.5	175.4	-54.4	-58.9	0	0	0	111.3	Q316 T317 K404 A405	Q316-D373 WeakPolarHBondContact CA-OD2 3.4Å; Q316-D373 HydrophobicContact CB-CB 4.22Å; Q316-D373 HydrophobicContact CG-CB 4.48Å; T317-D373 PolarHBondContact N-OD2 2.98Å; T317-D373 PolarHBondContact O-N 3.37Å; D373-K404 CarbonylContact O-C 3.55Å; D373-K404 WeakPolarHBondContact O-CA 3.12Å; D373-A405 PolarHBondContact O-N 2.9Å
374	V	98.4	Very high	97.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.4	-178.3	179.5	0	0	0	0	109.7	T317 F318 G319 F376 A405 V407	T317-V374 PolarHBondContact O-N 3.07Å; F318-V374 CarbonylContact C-O 3.31Å; F318-V374 WeakPolarHBondContact CA-O 3.42Å; F318-V374 HydrophobicContact CD1-CB 3.74Å; F318-V374 HydrophobicContact CD1-CG1 4.05Å; F318-V374 HydrophobicContact CE1-CB 3.84Å; F318-V374 HydrophobicContact CE1-CG1 4.13Å; F318-V374 HydrophobicContact CE1-CG2 4.14Å; G319-V374 PolarHBondContact N-O 2.92Å; V374-F376 HydrophobicContact CG1-CZ 4.32Å; V374-A405 CarbonylContact C-O 3.59Å; V374-A405 WeakPolarHBondContact CA-O 3.5Å; V374-A405 HydrophobicContact CG1-CB 4.41Å; V374-A405 HydrophobicContact CG2-CB 4.18Å; V374-V407 HydrophobicContact CG1-CG2 3.79Å
375	I	98.5	Very high	97.2	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	108.5	-173.4	-59.1	88.9	0	0	0	109.8	L321 V369 A372 K404 A405 Y406 V407	L321-I375 HydrophobicContact CD1-CG2 3.83Å; L321-I375 HydrophobicContact CG-CG2 3.86Å; V369-I375 HydrophobicContact CB-CD1 4.33Å; V369-I375 HydrophobicContact CB-CG1 4.29Å; V369-I375 HydrophobicContact CG1-CD1 3.96Å; V369-I375 HydrophobicContact CG1-CG1 4.43Å; V369-I375 HydrophobicContact CG2-CD1 4.33Å; V369-I375 HydrophobicContact CG2-CG1 3.92Å; V369-I375 HydrophobicContact CG2-CG2 4.23Å; A372-I375 HydrophobicContact CB-CG1 4.24Å; I375-K404 HydrophobicContact CD1-CB 4.43Å; I375-K404 HydrophobicContact CD1-CD 4.47Å; I375-A405 WeakPolarHBondContact CD1-O 3.35Å; I375-A405 PolarHBondContact N-O 3.22Å; I375-Y406 HydrophobicContact CB-CD2 4.19Å; I375-Y406 HydrophobicContact CG2-CD2 4.06Å; I375-Y406 HydrophobicContact CG2-CE2 4.24Å; I375-Y406 WeakPolarHBondContact O-CA 3.26Å; I375-V407 PolarHBondContact O-N 2.99Å
376	F	98.7	Very high	97.3	Very high	3 Å²	3	31.2 Å²	31.2	1%	0.013	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	141.9	169.7	-62.4	-69.3	0	0	0	111.1	F318 G319 F320 L321 L334 V374 V407 M409 C465 F466	F318-F376 HydrophobicContact CB-CD2 4.41Å; F318-F376 HydrophobicContact CB-CE2 4.15Å; F318-F376 HydrophobicContact CD1-CD2 4.28Å; F318-F376 AromaticContact CD1-CE2 3.39Å; F318-F376 HydrophobicContact CD1-CE2 3.39Å; F318-F376 AromaticContact CD1-CZ 3.95Å; F318-F376 HydrophobicContact CD1-CZ 3.95Å; F318-F376 HydrophobicContact CE1-CE2 4.16Å; F318-F376 HydrophobicContact CE1-CZ 4.29Å; F318-F376 HydrophobicContact CG-CE2 4.05Å; G319-F376 PolarHBondContact O-N 3.42Å; F320-F376 WeakPolarHBondContact CA-O 3.29Å; F320-F376 HydrophobicContact CD2-CB 3.5Å; F320-F376 AromaticContact CD2-CD2 3.99Å; F320-F376 HydrophobicContact CD2-CD2 3.99Å; F320-F376 HydrophobicContact CD2-CG 4.11Å; F320-F376 HydrophobicContact CE2-CB 3.52Å; F320-F376 HydrophobicContact CE2-CD2 4.32Å; F320-F376 HydrophobicContact CE2-CG 4.1Å; F320-F376 HydrophobicContact CG-CB 4.27Å; F320-F376 HydrophobicContact CZ-CB 4.32Å; L321-F376 PolarHBondContact N-O 3.16Å; L334-F376 HydrophobicContact CD1-CE2 4.4Å; V374-F376 HydrophobicContact CG1-CZ 4.32Å; F376-V407 CarbonylContact C-O 3.07Å; F376-V407 WeakPolarHBondContact CA-O 3.49Å; F376-V407 HydrophobicContact CD1-CB 3.56Å; F376-V407 HydrophobicContact CD1-CG1 3.62Å; F376-V407 HydrophobicContact CD1-CG2 4.17Å; F376-V407 HydrophobicContact CE1-CB 3.92Å; F376-V407 HydrophobicContact CE1-CG1 3.79Å; F376-V407 HydrophobicContact CE1-CG2 4.09Å; F376-M409 HydrophobicContact CB-SD 3.98Å; F376-M409 HydrophobicContact CD1-CG 4.3Å; F376-M409 HydrophobicContact CD1-SD 3.51Å; F376-M409 VanDerWaalsContact CD1-SD 3.51Å; F376-M409 HydrophobicContact CE1-SD 4.32Å; F376-M409 HydrophobicContact CG-SD 3.99Å; F376-C465 HydrophobicContact CE2-CB 4.29Å; F376-C465 HydrophobicContact CZ-CB 3.91Å; F376-F466 HydrophobicContact CE1-CE1 4.04Å
377	C	98.6	Very high	97.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.4	171.6	-179.8	0	0	0	0	111	L321 Y406 V407 E408 M409 S410	L321-C377 HydrophobicContact CB-CB 4.42Å; C377-Y406 HydrophobicContact CB-CE1 4.27Å; C377-Y406 HydrophobicContact CB-CE2 4.11Å; C377-Y406 WeakPolarHBondContact CB-OH 3.41Å; C377-Y406 PolarHBondContact SG-OH 2.8Å; C377-V407 PolarHBondContact N-O 2.84Å; C377-E408 PolarHBondContact SG-OE2 3.44Å; C377-M409 WeakPolarHBondContact O-CA 3.18Å; C377-M409 VanDerWaalsContact O-CB 3.24Å; C377-M409 WeakPolarHBondContact O-CB 3.45Å; C377-M409 PolarHBondContact O-N 3.26Å; C377-S410 PolarHBondContact O-N 2.9Å
378	C	98	Very high	97.2	Very high	13 Å²	13	31.5 Å²	31.5	9%	0.088	17%	0.171	C	C	.	.			trans	-143.2	90.1	178	-166	0	0	0	0	111.8	F320 L321 M409	F320-C378 HydrophobicContact CE1-CB 3.82Å; F320-C378 HydrophobicContact CZ-CB 3.79Å; L321-C378 PolarHBondContact O-N 2.7Å; C378-M409 HydrophobicContact CB-CB 4.42Å
379	V	97	Very high	97.1	Very high	32 Å²	32	31.5 Å²	31.5	19%	0.194	17%	0.171	C	C	.	.			trans	-123.4	177.5	-175.6	-64.3	0	0	0	0	114	A385 L388 S410	V379-A385 HydrophobicContact CG2-CB 4.06Å; V379-L388 HydrophobicContact CG1-CD1 3.61Å; V379-S410 VanDerWaalsContact CG2-OG 3.31Å; V379-S410 WeakPolarHBondContact CG2-OG 3.42Å; V379-S410 PolarHBondContact N-OG 3.18Å
380	S	93.9	Very high	97	Very high	49 Å²	49	35.9 Å²	35.9	34%	0.343	19%	0.19	S	C	.	.	S	Bend	trans	-76	-23	-165.4	52.8	0	0	0	0	115.7	R554	S380-R554 WeakPolarHBondContact O-CD 3.3Å; S380-R554 PolarHBondContact O-NH1 3.19Å
381	D	95.1	Very high	96.8	Very high	46 Å²	46	31.6 Å²	31.6	25%	0.246	18%	0.175	C	C	.	.	S	Bend	trans	-169	164.1	-171.3	54.2	83	0	0	0	112.5	K383 G384 A385	D381-K383 PolarHBondContact O-N 3.39Å; D381-K383 VanDerWaalsContact O-N 3.17Å; D381-K383 WeakPolarHBondContact OD1-CA 3.1Å; D381-K383 WeakPolarHBondContact OD1-CB 3.06Å; D381-K383 PolarHBondContact OD1-N 3.32Å; D381-K383 VanDerWaalsContact OD1-N 3.13Å; D381-G384 PolarHBondContact O-N 2.9Å; D381-G384 VanDerWaalsContact O-N 3.09Å; D381-G384 PolarHBondContact OD1-N 2.93Å; D381-A385 PolarHBondContact O-N 2.93Å; D381-A385 VanDerWaalsContact O-N 3.09Å
382	P	97.3	Very high	96.4	Very high	14 Å²	14	33.5 Å²	33.5	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-51.9	-34.1	176.8	-29.2	32.7	0	0	0	115.1	A385 K386 I412 D413 T416 L558	P382-A385 PolarHBondContact O-N 2.94Å; P382-K386 PolarHBondContact O-N 3.17Å; P382-I412 HydrophobicContact CB-CB 4.47Å; P382-I412 HydrophobicContact CB-CG2 4.21Å; P382-I412 HydrophobicContact CG-CB 4.13Å; P382-I412 HydrophobicContact CG-CG2 4.04Å; P382-D413 WeakPolarHBondContact CG-OD2 3.24Å; P382-T416 HydrophobicContact CB-CG2 3.97Å; P382-L558 HydrophobicContact CG-CD1 4.09Å; P382-L558 HydrophobicContact CG-CD2 3.86Å
383	K	96.5	Very high	96.1	Very high	121 Å²	121	35.9 Å²	35.9	53%	0.526	20%	0.196	S	C	.	.	H	α-helix	trans	-71	-45.3	179.4	-165	-154.2	173	-119.4	0	109.9	D381 A385 K386 D387	D381-K383 PolarHBondContact O-N 3.39Å; D381-K383 VanDerWaalsContact O-N 3.17Å; D381-K383 WeakPolarHBondContact OD1-CA 3.1Å; D381-K383 WeakPolarHBondContact OD1-CB 3.06Å; D381-K383 PolarHBondContact OD1-N 3.32Å; D381-K383 VanDerWaalsContact OD1-N 3.13Å; K383-A385 VanDerWaalsContact C-N 3.26Å; K383-A385 PolarHBondContact O-N 2.86Å; K383-K386 PolarHBondContact O-N 3.08Å; K383-D387 WeakPolarHBondContact CE-OD2 3.39Å; K383-D387 IonicContact NZ-OD1 2.68Å; K383-D387 IonicContact NZ-OD2 3.02Å; K383-D387 PolarHBondContact NZ-OD2 3.46Å; K383-D387 VanDerWaalsContact O-CB 3.28Å; K383-D387 WeakPolarHBondContact O-CB 3.01Å; K383-D387 PolarHBondContact O-N 2.88Å
384	G	95.5	Very high	95.8	Very high	14 Å²	14	32.7 Å²	32.7	14%	0.144	18%	0.18	C	C	.	.	H	α-helix	trans	-54.6	-41.8	172.8	0	0	0	0	0	112.8	D381 L388	D381-G384 PolarHBondContact O-N 2.9Å; D381-G384 VanDerWaalsContact O-N 3.09Å; D381-G384 PolarHBondContact OD1-N 2.93Å; G384-L388 WeakPolarHBondContact O-CG 3.49Å; G384-L388 PolarHBondContact O-N 2.89Å; G384-L388 VanDerWaalsContact O-N 3.17Å
385	A	97.7	Very high	95.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65	-50.3	176.8	0	0	0	0	0	111.7	V379 D381 P382 K383 D387 L388 V389 I412 I420	V379-A385 HydrophobicContact CG2-CB 4.06Å; D381-A385 PolarHBondContact O-N 2.93Å; D381-A385 VanDerWaalsContact O-N 3.09Å; P382-A385 PolarHBondContact O-N 2.94Å; K383-A385 VanDerWaalsContact C-N 3.26Å; K383-A385 PolarHBondContact O-N 2.86Å; A385-D387 PolarHBondContact O-N 3.07Å; A385-L388 PolarHBondContact O-N 3.34Å; A385-V389 WeakPolarHBondContact O-CG2 3.23Å; A385-V389 PolarHBondContact O-N 3.44Å; A385-V389 VanDerWaalsContact O-N 3.12Å; A385-I412 HydrophobicContact CB-CG2 4.24Å; A385-I420 HydrophobicContact CB-CD1 3.93Å
386	K	97.3	Very high	95.4	Very high	60 Å²	60	33.8 Å²	33.8	26%	0.261	19%	0.185	S	C	.	.	H	α-helix	trans	-62.4	-39.6	176.3	-68.5	-168.2	-170.5	-175.3	0	112.8	P382 K383 L388 V389 F390 T416 D419 I420	P382-K386 PolarHBondContact O-N 3.17Å; K383-K386 PolarHBondContact O-N 3.08Å; K386-L388 VanDerWaalsContact C-N 3.26Å; K386-L388 PolarHBondContact O-N 3.08Å; K386-V389 PolarHBondContact O-N 2.88Å; K386-F390 HydrophobicContact CB-CD2 4.04Å; K386-F390 HydrophobicContact CB-CE2 4.48Å; K386-F390 HydrophobicContact CG-CD2 4.31Å; K386-F390 HydrophobicContact CG-CE2 4.25Å; K386-F390 WeakPolarHBondContact O-CD2 3.46Å; K386-F390 PolarHBondContact O-N 2.83Å; K386-T416 HydrophobicContact CD-CG2 4.2Å; K386-T416 WeakPolarHBondContact CE-OG1 3.4Å; K386-T416 HydrophobicContact CG-CG2 3.86Å; K386-T416 PolarHBondContact NZ-OG1 2.98Å; K386-D419 IonicContact NZ-OD2 3.99Å; K386-D419 PolarHBondContact NZ-OD2 2.93Å; K386-I420 HydrophobicContact CG-CD1 4.47Å; K386-I420 HydrophobicContact CG-CG1 4.45Å
387	D	95.8	Very high	95.1	Very high	77 Å²	77	35.7 Å²	35.7	41%	0.412	19%	0.194	S	C	.	.	H	α-helix	trans	-61.7	-32.8	177.4	-73.9	-9.7	0	0	0	111.4	K383 A385 G391	K383-D387 WeakPolarHBondContact CE-OD2 3.39Å; K383-D387 IonicContact NZ-OD1 2.68Å; K383-D387 IonicContact NZ-OD2 3.02Å; K383-D387 PolarHBondContact NZ-OD2 3.46Å; K383-D387 VanDerWaalsContact O-CB 3.28Å; K383-D387 WeakPolarHBondContact O-CB 3.01Å; K383-D387 PolarHBondContact O-N 2.88Å; A385-D387 PolarHBondContact O-N 3.07Å; D387-G391 VanDerWaalsContact O-CA 3.23Å; D387-G391 WeakPolarHBondContact O-CA 3.22Å; D387-G391 PolarHBondContact O-N 3.19Å; D387-G391 VanDerWaalsContact O-N 3.16Å
388	L	96.8	Very high	94.7	Very high	19 Å²	19	37.1 Å²	37.1	10%	0.099	20%	0.202	C	C	.	.	H	α-helix	trans	-78.8	-31	174.9	-69.1	-177	0	0	0	114	L321 W344 P365 V379 G384 A385 K386 G394 V395	L321-L388 HydrophobicContact CB-CD1 4.18Å; W344-L388 HydrophobicContact CE3-CD2 4.4Å; W344-L388 HydrophobicContact CH2-CD2 3.47Å; W344-L388 VanDerWaalsContact CH2-CD2 3.47Å; W344-L388 HydrophobicContact CZ3-CD1 4.17Å; W344-L388 HydrophobicContact CZ3-CD2 3.39Å; W344-L388 HydrophobicContact CZ3-CG 4.45Å; P365-L388 HydrophobicContact CG-CD2 3.74Å; V379-L388 HydrophobicContact CG1-CD1 3.61Å; G384-L388 WeakPolarHBondContact O-CG 3.49Å; G384-L388 PolarHBondContact O-N 2.89Å; G384-L388 VanDerWaalsContact O-N 3.17Å; A385-L388 PolarHBondContact O-N 3.34Å; K386-L388 VanDerWaalsContact C-N 3.26Å; K386-L388 PolarHBondContact O-N 3.08Å; L388-G394 CarbonylContact O-C 3.56Å; L388-G394 WeakPolarHBondContact O-CA 3.43Å; L388-V395 PolarHBondContact O-N 2.79Å
389	V	97.1	Very high	94.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-82.2	-51.2	-178.3	173.1	0	0	0	0	111	A385 K386 V395 L396 Y406 I420	A385-V389 WeakPolarHBondContact O-CG2 3.23Å; A385-V389 PolarHBondContact O-N 3.44Å; A385-V389 VanDerWaalsContact O-N 3.12Å; K386-V389 PolarHBondContact O-N 2.88Å; V389-V395 HydrophobicContact CG2-CG2 4.43Å; V389-V395 PolarHBondContact O-N 2.79Å; V389-L396 HydrophobicContact CG1-CD1 3.74Å; V389-L396 HydrophobicContact CG1-CG 3.8Å; V389-L396 WeakPolarHBondContact O-CB 3.29Å; V389-L396 PolarHBondContact O-N 3.35Å; V389-Y406 HydrophobicContact CG2-CE1 4.09Å; V389-Y406 HydrophobicContact CG2-CE2 4.29Å; V389-Y406 WeakPolarHBondContact CG2-OH 3.42Å; V389-I420 HydrophobicContact CB-CG1 4.47Å; V389-I420 HydrophobicContact CG1-CG2 4.18Å; V389-I420 HydrophobicContact CG2-CD1 4.32Å; V389-I420 HydrophobicContact CG2-CG1 4.18Å; V389-I420 HydrophobicContact CG2-CG2 3.81Å
390	F	95.2	Very high	94	Very high	93 Å²	93	46.6 Å²	46.6	41%	0.408	24%	0.243	S	C	.	.	H	α-helix	trans	-100.1	-13	-171.8	-58.5	-81.2	0	0	0	114.1	K386 L396 I420	K386-F390 HydrophobicContact CB-CD2 4.04Å; K386-F390 HydrophobicContact CB-CE2 4.48Å; K386-F390 HydrophobicContact CG-CD2 4.31Å; K386-F390 HydrophobicContact CG-CE2 4.25Å; K386-F390 WeakPolarHBondContact O-CD2 3.46Å; K386-F390 PolarHBondContact O-N 2.83Å; F390-L396 HydrophobicContact CD1-CD1 3.55Å; F390-L396 HydrophobicContact CE1-CD1 3.43Å; F390-L396 VanDerWaalsContact CE1-CD1 3.43Å; F390-L396 HydrophobicContact CG-CD1 4.43Å; F390-L396 HydrophobicContact CZ-CD1 4.26Å; F390-I420 HydrophobicContact CE2-CG1 3.97Å
391	G	92	Very high	94.1	Very high	19 Å²	19	44.4 Å²	44.4	20%	0.196	23%	0.228	C	C	.	.	S	Bend	trans	-74.4	174.6	-177.3	0	0	0	0	0	114.2	D387 G394 Q397	D387-G391 VanDerWaalsContact O-CA 3.23Å; D387-G391 WeakPolarHBondContact O-CA 3.22Å; D387-G391 PolarHBondContact O-N 3.19Å; D387-G391 VanDerWaalsContact O-N 3.16Å; G391-G394 WeakPolarHBondContact O-CA 3.44Å; G391-G394 PolarHBondContact O-N 3.49Å; G391-Q397 PolarHBondContact O-NE2 3.27Å
392	N	88	Confident	94.1	Very high	74 Å²	74	46.6 Å²	46.6	40%	0.396	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	136.2	176.6	-60	8.2	0	0	0	109.9	F67 G394	F67-N392 PolarHBondContact O-ND2 2.83Å; N392-G394 PolarHBondContact O-N 2.76Å; N392-G394 VanDerWaalsContact O-N 3.14Å
393	C	91.6	Very high	93.9	Very high	50 Å²	50	51.9 Å²	51.9	34%	0.338	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	20.8	-168.8	-47	0	0	0	0	114.1	T364 P365 M366	T364-C393 HydrophobicContact CG2-CB 3.79Å; P365-C393 VanDerWaalsContact CD-O 3.29Å; P365-C393 WeakPolarHBondContact CD-O 3.48Å; M366-C393 WeakPolarHBondContact CB-O 3.46Å; M366-C393 PolarHBondContact N-O 3.08Å
394	G	93	Very high	94	Very high	1 Å²	1	48 Å²	48	1%	0.01	25%	0.25	C	S	.	.	S	Bend	trans	-81.2	-179.7	173	0	0	0	0	0	113.4	L388 G391 N392 L396 Q397	L388-G394 CarbonylContact O-C 3.56Å; L388-G394 WeakPolarHBondContact O-CA 3.43Å; G391-G394 WeakPolarHBondContact O-CA 3.44Å; G391-G394 PolarHBondContact O-N 3.49Å; N392-G394 PolarHBondContact O-N 2.76Å; N392-G394 VanDerWaalsContact O-N 3.14Å; G394-L396 PolarHBondContact O-N 2.68Å; G394-Q397 WeakPolarHBondContact O-CB 3.46Å; G394-Q397 WeakPolarHBondContact O-CG 3.33Å; G394-Q397 PolarHBondContact O-N 2.74Å
395	V	94.9	Very high	94.1	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.012	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-56.6	-45.3	-174.1	-176.9	0	0	0	0	112.9	L321 V369 L388 V389 Q397 L398 L401 Y406 I424	L321-V395 HydrophobicContact CD1-CG2 4.18Å; V369-V395 HydrophobicContact CG1-CG1 4.31Å; V369-V395 HydrophobicContact CG2-CB 4.24Å; V369-V395 HydrophobicContact CG2-CG1 3.88Å; V369-V395 HydrophobicContact CG2-CG2 3.98Å; L388-V395 PolarHBondContact O-N 2.79Å; V389-V395 HydrophobicContact CG2-CG2 4.43Å; V389-V395 PolarHBondContact O-N 2.79Å; V395-Q397 PolarHBondContact O-N 3.24Å; V395-L398 PolarHBondContact O-N 2.81Å; V395-L401 HydrophobicContact CG1-CD1 4.1Å; V395-Y406 HydrophobicContact CG1-CD2 4.18Å; V395-Y406 HydrophobicContact CG2-CD2 4.03Å; V395-Y406 HydrophobicContact CG2-CE2 3.62Å; V395-I424 HydrophobicContact CB-CD1 4.48Å; V395-I424 HydrophobicContact CG1-CD1 3.57Å
396	L	94	Very high	94.2	Very high	22 Å²	22	47.7 Å²	47.7	12%	0.115	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-82.9	12.4	-176.1	-57.2	-178.4	0	0	0	114.2	V389 F390 G394 L398 K399 L401 G423 I424 C427	V389-L396 HydrophobicContact CG1-CD1 3.74Å; V389-L396 HydrophobicContact CG1-CG 3.8Å; V389-L396 WeakPolarHBondContact O-CB 3.29Å; V389-L396 PolarHBondContact O-N 3.35Å; F390-L396 HydrophobicContact CD1-CD1 3.55Å; F390-L396 HydrophobicContact CE1-CD1 3.43Å; F390-L396 VanDerWaalsContact CE1-CD1 3.43Å; F390-L396 HydrophobicContact CG-CD1 4.43Å; F390-L396 HydrophobicContact CZ-CD1 4.26Å; G394-L396 PolarHBondContact O-N 2.68Å; L396-L398 VanDerWaalsContact C-N 3.33Å; L396-K399 PolarHBondContact O-NZ 3.46Å; L396-L401 HydrophobicContact CD2-CD1 3.92Å; L396-G423 WeakPolarHBondContact CD2-O 3.43Å; L396-I424 HydrophobicContact CD2-CD1 3.9Å; L396-I424 HydrophobicContact CD2-CG1 4.49Å; L396-C427 HydrophobicContact CD2-CB 4.24Å
397	Q	92.5	Very high	94.3	Very high	43 Å²	43	44.8 Å²	44.8	20%	0.201	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-73.9	-30.8	165.9	-59.1	-50.8	-23.5	0	0	111.1	M366 G391 G394 V395 K399	M366-Q397 HydrophobicContact CE-CB 3.83Å; M366-Q397 HydrophobicContact CG-CB 4.37Å; M366-Q397 HydrophobicContact SD-CB 3.49Å; M366-Q397 WeakPolarHBondContact SD-CB 3.47Å; M366-Q397 HydrophobicContact SD-CG 4.44Å; G391-Q397 PolarHBondContact O-NE2 3.27Å; G394-Q397 WeakPolarHBondContact O-CB 3.46Å; G394-Q397 WeakPolarHBondContact O-CG 3.33Å; G394-Q397 PolarHBondContact O-N 2.74Å; V395-Q397 PolarHBondContact O-N 3.24Å; Q397-K399 WeakPolarHBondContact O-CE 3.36Å; Q397-K399 PolarHBondContact O-N 3.49Å
398	L	90.4	Very high	94.4	Very high	30 Å²	30	41.1 Å²	41.1	16%	0.157	21%	0.213	C	C	.	.	S	Bend	trans	-68	121.1	161.2	-68.5	171.7	0	0	0	109.2	M366 V369 E370 V395 L396 L401	M366-L398 HydrophobicContact CE-CD2 3.8Å; M366-L398 HydrophobicContact CE-CG 4.02Å; M366-L398 HydrophobicContact CG-CG 4.11Å; V369-L398 HydrophobicContact CB-CD1 3.87Å; V369-L398 HydrophobicContact CG1-CD1 3.56Å; E370-L398 HydrophobicContact CG-CD1 3.8Å; E370-L398 HydrophobicContact CG-CD2 3.82Å; E370-L398 HydrophobicContact CG-CG 4.29Å; V395-L398 PolarHBondContact O-N 2.81Å; L396-L398 VanDerWaalsContact C-N 3.33Å; L398-L401 HydrophobicContact CB-CD2 3.77Å; L398-L401 HydrophobicContact CD1-CD2 4.02Å
399	K	85.4	Confident	94.5	Very high	148 Å²	148	40.3 Å²	40.3	64%	0.643	21%	0.209	S	C	*	.	S	Bend	trans	-79.9	-20.6	-177.6	-55.6	-54.1	169.9	-158.1	0	113.4	L396 Q397	L396-K399 PolarHBondContact O-NZ 3.46Å; Q397-K399 WeakPolarHBondContact O-CE 3.36Å; Q397-K399 PolarHBondContact O-N 3.49Å
400	D	93.9	Very high	94.5	Very high	96 Å²	96	40.4 Å²	40.4	51%	0.513	21%	0.209	S	C	.	.			trans	-126.8	124.1	172.5	-173.2	10.9	0	0	0	109.4	N402	D400-N402 WeakPolarHBondContact OD1-CB 3.23Å; D400-N402 PolarHBondContact OD1-N 3.24Å
401	L	96.3	Very high	94.6	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	20%	0.195	C	C	.	.			trans	-113.2	22.7	175.8	-61.2	177.4	0	0	0	110.7	V369 V395 L396 L398 N403 K404 I424 C427 G429	V369-L401 HydrophobicContact CG1-CD2 3.56Å; V395-L401 HydrophobicContact CG1-CD1 4.1Å; L396-L401 HydrophobicContact CD2-CD1 3.92Å; L398-L401 HydrophobicContact CB-CD2 3.77Å; L398-L401 HydrophobicContact CD1-CD2 4.02Å; L401-N403 PolarHBondContact O-N 3.31Å; L401-K404 HydrophobicContact CB-CB 4.16Å; L401-K404 HydrophobicContact CB-CG 4.32Å; L401-K404 HydrophobicContact CD2-CG 4.43Å; L401-K404 WeakPolarHBondContact O-CA 3.45Å; L401-K404 WeakPolarHBondContact O-CB 3.24Å; L401-K404 WeakPolarHBondContact O-CG 2.9Å; L401-K404 PolarHBondContact O-N 2.9Å; L401-I424 HydrophobicContact CD1-CD1 3.86Å; L401-I424 HydrophobicContact CD1-CG2 4.46Å; L401-C427 WeakPolarHBondContact CA-O 3.26Å; L401-C427 VanDerWaalsContact CB-O 3.26Å; L401-C427 WeakPolarHBondContact CB-O 3.39Å; L401-C427 HydrophobicContact CD1-CB 4.04Å; L401-C427 HydrophobicContact CG-CB 4.06Å; L401-C427 PolarHBondContact N-O 3.39Å; L401-G429 WeakPolarHBondContact O-CA 3.25Å
402	N	94.8	Very high	94.9	Very high	92 Å²	92	35.9 Å²	35.9	49%	0.492	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	136.4	175.6	-174.9	18.9	0	0	0	111.8	D400 K404	D400-N402 WeakPolarHBondContact OD1-CB 3.23Å; D400-N402 PolarHBondContact OD1-N 3.24Å; N402-K404 PolarHBondContact O-N 3.16Å
403	N	93.9	Very high	95.3	Very high	124 Å²	124	33.7 Å²	33.7	66%	0.663	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	-19.3	-169.3	-51.8	-63.7	0	0	0	116.6	L401 R430	L401-N403 PolarHBondContact O-N 3.31Å; N403-R430 PolarHBondContact O-NH2 3.05Å
404	K	98.1	Very high	95.6	Very high	40 Å²	40	31.6 Å²	31.6	17%	0.174	16%	0.16	C	C	.	.			trans	-69	148.8	176.9	-50.1	-71.7	-178.1	173.7	0	111.4	V369 E370 A372 D373 I375 L401 N402 R430	V369-K404 WeakPolarHBondContact O-CD 3.45Å; V369-K404 WeakPolarHBondContact O-CE 3.25Å; V369-K404 PolarHBondContact O-NZ 3.31Å; E370-K404 PolarHBondContact O-NZ 3.26Å; A372-K404 WeakPolarHBondContact O-CD 3.49Å; A372-K404 PolarHBondContact O-NZ 3.31Å; D373-K404 CarbonylContact O-C 3.55Å; D373-K404 WeakPolarHBondContact O-CA 3.12Å; I375-K404 HydrophobicContact CD1-CB 4.43Å; I375-K404 HydrophobicContact CD1-CD 4.47Å; L401-K404 HydrophobicContact CB-CB 4.16Å; L401-K404 HydrophobicContact CB-CG 4.32Å; L401-K404 HydrophobicContact CD2-CG 4.43Å; L401-K404 WeakPolarHBondContact O-CA 3.45Å; L401-K404 WeakPolarHBondContact O-CB 3.24Å; L401-K404 WeakPolarHBondContact O-CG 2.9Å; L401-K404 PolarHBondContact O-N 2.9Å; N402-K404 PolarHBondContact O-N 3.16Å; K404-R430 PolarHBondContact O-N 3.17Å; K404-R430 VanDerWaalsContact O-N 3.08Å
405	A	98.4	Very high	95.7	Very high	3 Å²	3	35.3 Å²	35.3	3%	0.025	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.5	167.9	0	0	0	0	0	111.4	D373 V374 I375 R430 V458	D373-A405 PolarHBondContact O-N 2.9Å; V374-A405 CarbonylContact C-O 3.59Å; V374-A405 WeakPolarHBondContact CA-O 3.5Å; V374-A405 HydrophobicContact CG1-CB 4.41Å; V374-A405 HydrophobicContact CG2-CB 4.18Å; I375-A405 WeakPolarHBondContact CD1-O 3.35Å; I375-A405 PolarHBondContact N-O 3.22Å; A405-R430 CarbonylContact C-O 3.48Å; A405-R430 WeakPolarHBondContact CA-O 3.31Å; A405-R430 HydrophobicContact CB-CB 4.32Å; A405-V458 HydrophobicContact CB-CB 4.34Å; A405-V458 HydrophobicContact CB-CG1 3.74Å; A405-V458 HydrophobicContact CB-CG2 3.64Å
406	Y	98.7	Very high	95.9	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.8	173.8	-173.5	-89.2	0	0	0	110.5	L321 I375 C377 V389 V395 E408 I420 I424 R430 Y431 L432	L321-Y406 HydrophobicContact CD1-CE2 4.19Å; I375-Y406 HydrophobicContact CB-CD2 4.19Å; I375-Y406 HydrophobicContact CG2-CD2 4.06Å; I375-Y406 HydrophobicContact CG2-CE2 4.24Å; I375-Y406 WeakPolarHBondContact O-CA 3.26Å; C377-Y406 HydrophobicContact CB-CE1 4.27Å; C377-Y406 HydrophobicContact CB-CE2 4.11Å; C377-Y406 WeakPolarHBondContact CB-OH 3.41Å; C377-Y406 PolarHBondContact SG-OH 2.8Å; V389-Y406 HydrophobicContact CG2-CE1 4.09Å; V389-Y406 HydrophobicContact CG2-CE2 4.29Å; V389-Y406 WeakPolarHBondContact CG2-OH 3.42Å; V395-Y406 HydrophobicContact CG1-CD2 4.18Å; V395-Y406 HydrophobicContact CG2-CD2 4.03Å; V395-Y406 HydrophobicContact CG2-CE2 3.62Å; Y406-E408 HydrophobicContact CD1-CB 4.49Å; Y406-E408 HydrophobicContact CE1-CB 3.99Å; Y406-E408 PolarHBondContact OH-OE2 3.18Å; Y406-I420 HydrophobicContact CD1-CG2 4.17Å; Y406-I420 HydrophobicContact CE1-CG2 3.86Å; Y406-I424 HydrophobicContact CD1-CD1 4.4Å; Y406-I424 HydrophobicContact CD1-CG1 4.39Å; Y406-I424 HydrophobicContact CD2-CD1 4.29Å; Y406-I424 HydrophobicContact CG-CD1 3.91Å; Y406-I424 HydrophobicContact CG-CG1 4.32Å; Y406-R430 PolarHBondContact N-O 3.16Å; Y406-Y431 AromaticContact CD1-CD2 3.83Å; Y406-Y431 HydrophobicContact CD1-CD2 3.83Å; Y406-Y431 AromaticContact CD1-CE2 3.75Å; Y406-Y431 HydrophobicContact CD1-CE2 3.75Å; Y406-Y431 HydrophobicContact CE1-CE2 4.2Å; Y406-Y431 WeakPolarHBondContact O-CA 3.44Å; Y406-L432 PolarHBondContact O-N 3.42Å
407	V	98.8	Very high	96.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	104.1	-173.7	-175.1	0	0	0	0	110.2	V374 I375 F376 C377 M409 L432 A434 V458	V374-V407 HydrophobicContact CG1-CG2 3.79Å; I375-V407 PolarHBondContact O-N 2.99Å; F376-V407 CarbonylContact C-O 3.07Å; F376-V407 WeakPolarHBondContact CA-O 3.49Å; F376-V407 HydrophobicContact CD1-CB 3.56Å; F376-V407 HydrophobicContact CD1-CG1 3.62Å; F376-V407 HydrophobicContact CD1-CG2 4.17Å; F376-V407 HydrophobicContact CE1-CB 3.92Å; F376-V407 HydrophobicContact CE1-CG1 3.79Å; F376-V407 HydrophobicContact CE1-CG2 4.09Å; C377-V407 PolarHBondContact N-O 2.84Å; V407-M409 HydrophobicContact CG1-CG 4.2Å; V407-M409 PolarHBondContact O-N 3.46Å; V407-L432 CarbonylContact C-O 3.5Å; V407-L432 VanDerWaalsContact CA-O 3.27Å; V407-L432 WeakPolarHBondContact CA-O 3.02Å; V407-L432 HydrophobicContact CG1-CB 4.46Å; V407-L432 HydrophobicContact CG1-CD2 4.13Å; V407-L432 HydrophobicContact CG2-CB 4.3Å; V407-L432 HydrophobicContact CG2-CD2 4.48Å; V407-A434 HydrophobicContact CG1-CB 3.57Å; V407-V458 HydrophobicContact CG2-CG1 3.65Å
408	E	98.6	Very high	96.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	108.1	-176.3	-172.6	48.8	-97	0	0	111.4	C377 Y406 S410 I412 Y431 L432 A434	C377-E408 PolarHBondContact SG-OE2 3.44Å; Y406-E408 HydrophobicContact CD1-CB 4.49Å; Y406-E408 HydrophobicContact CE1-CB 3.99Å; Y406-E408 PolarHBondContact OH-OE2 3.18Å; E408-S410 WeakPolarHBondContact OE1-CB 3.25Å; E408-S410 PolarHBondContact OE1-N 3.45Å; E408-S410 PolarHBondContact OE1-OG 2.87Å; E408-I412 HydrophobicContact CG-CD1 3.64Å; E408-Y431 HydrophobicContact CB-CE2 3.9Å; E408-Y431 WeakPolarHBondContact CB-OH 3.36Å; E408-L432 PolarHBondContact N-O 2.83Å; E408-A434 PolarHBondContact O-N 2.78Å
409	M	98.5	Very high	96.6	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	20%	0.198	C	C	.	.			trans	-103.8	-2.8	-177.8	-48.5	-179.8	70.5	0	0	113	F320 I330 F376 C377 C378 V407 A434 I436 I469	F320-M409 HydrophobicContact CE2-SD 4.34Å; I330-M409 HydrophobicContact CD1-CE 3.96Å; F376-M409 HydrophobicContact CB-SD 3.98Å; F376-M409 HydrophobicContact CD1-CG 4.3Å; F376-M409 HydrophobicContact CD1-SD 3.51Å; F376-M409 VanDerWaalsContact CD1-SD 3.51Å; F376-M409 HydrophobicContact CE1-SD 4.32Å; F376-M409 HydrophobicContact CG-SD 3.99Å; C377-M409 WeakPolarHBondContact O-CA 3.18Å; C377-M409 VanDerWaalsContact O-CB 3.24Å; C377-M409 WeakPolarHBondContact O-CB 3.45Å; C377-M409 PolarHBondContact O-N 3.26Å; C378-M409 HydrophobicContact CB-CB 4.42Å; V407-M409 HydrophobicContact CG1-CG 4.2Å; V407-M409 PolarHBondContact O-N 3.46Å; M409-A434 WeakPolarHBondContact CA-O 3.4Å; M409-A434 HydrophobicContact CG-CB 4.25Å; M409-I436 HydrophobicContact CE-CG2 3.49Å; M409-I436 VanDerWaalsContact CE-CG2 3.49Å; M409-I469 HydrophobicContact CE-CD1 3.81Å
410	S	97.5	Very high	97.2	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	17%	0.167	C	C	.	.	S	Bend	trans	-71.9	143.1	177	-46	0	0	0	0	111.3	C377 V379 E408 I412 Q435	C377-S410 PolarHBondContact O-N 2.9Å; V379-S410 VanDerWaalsContact CG2-OG 3.31Å; V379-S410 WeakPolarHBondContact CG2-OG 3.42Å; V379-S410 PolarHBondContact N-OG 3.18Å; E408-S410 WeakPolarHBondContact OE1-CB 3.25Å; E408-S410 PolarHBondContact OE1-N 3.45Å; E408-S410 PolarHBondContact OE1-OG 2.87Å; S410-I412 PolarHBondContact O-N 2.82Å; S410-I412 VanDerWaalsContact O-N 3.11Å; S410-Q435 PolarHBondContact O-NE2 2.89Å
411	T	97.5	Very high	97.4	Very high	17 Å²	17	26.9 Å²	26.9	10%	0.104	14%	0.143	C	C	.	.			trans	-70.2	110.4	171.8	-36.8	0	0	0	0	110.4	L487 R554 D555	T411-L487 HydrophobicContact CG2-CD2 4.23Å; T411-R554 PolarHBondContact OG1-NH2 3.36Å; T411-D555 WeakPolarHBondContact CG2-OD1 3.37Å
412	I	97.7	Very high	97.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.			trans	-133.7	165.1	-177.2	62.3	178.4	0	0	0	111.5	P382 A385 E408 S410 T416 I420	P382-I412 HydrophobicContact CB-CB 4.47Å; P382-I412 HydrophobicContact CB-CG2 4.21Å; P382-I412 HydrophobicContact CG-CB 4.13Å; P382-I412 HydrophobicContact CG-CG2 4.04Å; A385-I412 HydrophobicContact CB-CG2 4.24Å; E408-I412 HydrophobicContact CG-CD1 3.64Å; S410-I412 PolarHBondContact O-N 2.82Å; S410-I412 VanDerWaalsContact O-N 3.11Å; I412-T416 HydrophobicContact CB-CG2 4.19Å; I412-T416 HydrophobicContact CD1-CG2 4.06Å; I412-T416 HydrophobicContact CG2-CG2 4.37Å; I412-I420 HydrophobicContact CD1-CD1 4.42Å
413	D	97.2	Very high	97.5	Very high	29 Å²	29	27.4 Å²	27.4	16%	0.155	14%	0.144	C	C	.	.			trans	-73.5	154.4	168.7	49.5	92.6	0	0	0	111.9	P382 D415 T416 S417 L558	P382-D413 WeakPolarHBondContact CG-OD2 3.24Å; D413-D415 PolarHBondContact O-N 2.73Å; D413-T416 VanDerWaalsContact CG-OG1 3.28Å; D413-T416 PolarHBondContact O-N 2.57Å; D413-T416 WeakPolarHBondContact OD1-CB 3.39Å; D413-T416 PolarHBondContact OD1-N 3.47Å; D413-T416 PolarHBondContact OD1-OG1 2.95Å; D413-T416 PolarHBondContact OD2-OG1 3.33Å; D413-S417 PolarHBondContact O-N 3.36Å; D413-S417 VanDerWaalsContact O-N 3.12Å; D413-L558 HydrophobicContact CB-CD2 4.24Å
414	P	97.1	Very high	97.7	Very high	5 Å²	5	21.6 Å²	21.6	3%	0.032	11%	0.113	C	C	.	.	H	α-helix	trans	-59.8	-33.2	-179	-24.5	35.8	0	0	0	113.7	S417 L418 C483 K484 M562	P414-S417 WeakPolarHBondContact O-CB 3.42Å; P414-S417 PolarHBondContact O-N 2.96Å; P414-L418 WeakPolarHBondContact O-CG 3.24Å; P414-L418 PolarHBondContact O-N 3.44Å; P414-C483 HydrophobicContact CB-CB 4.38Å; P414-C483 HydrophobicContact CG-CB 3.98Å; P414-K484 HydrophobicContact CB-CG 4.36Å; P414-K484 HydrophobicContact CG-CD 4.45Å; P414-K484 HydrophobicContact CG-CG 3.61Å; P414-M562 HydrophobicContact CG-SD 4.16Å
415	D	96.4	Very high	97.7	Very high	79 Å²	79	24.6 Å²	24.6	42%	0.422	13%	0.126	S	C	.	.	H	α-helix	trans	-70.4	-41.1	-178.4	-55.3	-28.2	0	0	0	110.3	D413 S417 L418 D419 N565	D413-D415 PolarHBondContact O-N 2.73Å; D415-S417 VanDerWaalsContact C-N 3.34Å; D415-S417 PolarHBondContact O-N 3.27Å; D415-L418 PolarHBondContact O-N 2.92Å; D415-D419 PolarHBondContact O-N 3.15Å; D415-N565 PolarHBondContact OD2-ND2 2.86Å
416	T	97.6	Very high	97.6	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.037	15%	0.154	C	C	.	.	H	α-helix	trans	-62.9	-37	170.8	-64.8	0	0	0	0	113	P382 K386 I412 D413 I420	P382-T416 HydrophobicContact CB-CG2 3.97Å; K386-T416 HydrophobicContact CD-CG2 4.2Å; K386-T416 WeakPolarHBondContact CE-OG1 3.4Å; K386-T416 HydrophobicContact CG-CG2 3.86Å; K386-T416 PolarHBondContact NZ-OG1 2.98Å; I412-T416 HydrophobicContact CB-CG2 4.19Å; I412-T416 HydrophobicContact CD1-CG2 4.06Å; I412-T416 HydrophobicContact CG2-CG2 4.37Å; D413-T416 VanDerWaalsContact CG-OG1 3.28Å; D413-T416 PolarHBondContact O-N 2.57Å; D413-T416 WeakPolarHBondContact OD1-CB 3.39Å; D413-T416 PolarHBondContact OD1-N 3.47Å; D413-T416 PolarHBondContact OD1-OG1 2.95Å; D413-T416 PolarHBondContact OD2-OG1 3.33Å; T416-I420 HydrophobicContact CG2-CD1 3.92Å; T416-I420 WeakPolarHBondContact O-CG1 3.33Å; T416-I420 PolarHBondContact O-N 3.26Å; T416-I420 VanDerWaalsContact O-N 3.09Å
417	S	98.2	Very high	97.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.6	-41.4	174.3	-178.7	0	0	0	0	111.5	D413 P414 D415 G421 Y431 E433 I479	D413-S417 PolarHBondContact O-N 3.36Å; D413-S417 VanDerWaalsContact O-N 3.12Å; P414-S417 WeakPolarHBondContact O-CB 3.42Å; P414-S417 PolarHBondContact O-N 2.96Å; D415-S417 VanDerWaalsContact C-N 3.34Å; D415-S417 PolarHBondContact O-N 3.27Å; S417-G421 PolarHBondContact O-N 3.17Å; S417-Y431 PolarHBondContact O-OH 2.89Å; S417-Y431 PolarHBondContact OG-OH 2.99Å; S417-E433 WeakPolarHBondContact CB-OE2 3.27Å; S417-E433 PolarHBondContact OG-OE2 2.94Å; S417-I479 WeakPolarHBondContact OG-CG2 3.37Å
418	L	97.6	Very high	97.4	Very high	79 Å²	79	37 Å²	37	41%	0.414	19%	0.189	S	C	.	.	H	α-helix	trans	-65.1	-46.5	174.9	-72.2	165.6	0	0	0	112.1	P414 D415 I420 G421 E422 I479	P414-L418 WeakPolarHBondContact O-CG 3.24Å; P414-L418 PolarHBondContact O-N 3.44Å; D415-L418 PolarHBondContact O-N 2.92Å; L418-I420 PolarHBondContact O-N 3.04Å; L418-G421 PolarHBondContact O-N 3.23Å; L418-E422 WeakPolarHBondContact O-CB 3.33Å; L418-E422 PolarHBondContact O-N 3.5Å; L418-I479 HydrophobicContact CD2-CB 3.86Å; L418-I479 HydrophobicContact CD2-CG2 3.73Å; L418-I479 HydrophobicContact CG-CG2 4.11Å
419	D	97.1	Very high	97.3	Very high	80 Å²	80	37.3 Å²	37.3	43%	0.428	19%	0.192	S	C	.	.	H	α-helix	trans	-56.1	-50	176.7	-74.7	-13.4	0	0	0	111.6	K386 D415 E422 G423	K386-D419 IonicContact NZ-OD2 3.99Å; K386-D419 PolarHBondContact NZ-OD2 2.93Å; D415-D419 PolarHBondContact O-N 3.15Å; D419-E422 PolarHBondContact O-N 3.37Å; D419-G423 PolarHBondContact O-N 3.35Å
420	I	98.2	Very high	97.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-47.7	178.7	-67.8	168.5	0	0	0	110.1	A385 K386 V389 F390 Y406 I412 T416 L418 E422 G423 I424 Y431	A385-I420 HydrophobicContact CB-CD1 3.93Å; K386-I420 HydrophobicContact CG-CD1 4.47Å; K386-I420 HydrophobicContact CG-CG1 4.45Å; V389-I420 HydrophobicContact CB-CG1 4.47Å; V389-I420 HydrophobicContact CG1-CG2 4.18Å; V389-I420 HydrophobicContact CG2-CD1 4.32Å; V389-I420 HydrophobicContact CG2-CG1 4.18Å; V389-I420 HydrophobicContact CG2-CG2 3.81Å; F390-I420 HydrophobicContact CE2-CG1 3.97Å; Y406-I420 HydrophobicContact CD1-CG2 4.17Å; Y406-I420 HydrophobicContact CE1-CG2 3.86Å; I412-I420 HydrophobicContact CD1-CD1 4.42Å; T416-I420 HydrophobicContact CG2-CD1 3.92Å; T416-I420 WeakPolarHBondContact O-CG1 3.33Å; T416-I420 PolarHBondContact O-N 3.26Å; T416-I420 VanDerWaalsContact O-N 3.09Å; L418-I420 PolarHBondContact O-N 3.04Å; I420-E422 VanDerWaalsContact C-N 3.28Å; I420-E422 PolarHBondContact O-N 3.45Å; I420-G423 PolarHBondContact O-N 3.09Å; I420-I424 HydrophobicContact CG2-CG1 4.23Å; I420-I424 VanDerWaalsContact O-CG1 3.27Å; I420-I424 WeakPolarHBondContact O-CG1 3.35Å; I420-I424 PolarHBondContact O-N 3.34Å; I420-Y431 HydrophobicContact CB-CE2 4.24Å; I420-Y431 HydrophobicContact CG2-CD2 4.1Å; I420-Y431 HydrophobicContact CG2-CE2 3.47Å; I420-Y431 VanDerWaalsContact CG2-CE2 3.47Å
421	G	97.8	Very high	97.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.4	-29.7	-177.6	0	0	0	0	0	114.1	S417 L418 K425 Y431	S417-G421 PolarHBondContact O-N 3.17Å; L418-G421 PolarHBondContact O-N 3.23Å; G421-K425 WeakPolarHBondContact O-CD 3.35Å; G421-K425 WeakPolarHBondContact O-CG 3.47Å; G421-K425 PolarHBondContact O-N 3.12Å; G421-Y431 VanDerWaalsContact CA-CD1 3.43Å
422	E	97.1	Very high	97.4	Very high	100 Å²	100	38.9 Å²	38.9	47%	0.467	20%	0.196	S	C	.	.	H	α-helix	trans	-73.7	-46.9	172.3	-176.6	57.7	-157.1	0	0	111.2	L418 D419 I420 I424 K425 Q426	L418-E422 WeakPolarHBondContact O-CB 3.33Å; L418-E422 PolarHBondContact O-N 3.5Å; D419-E422 PolarHBondContact O-N 3.37Å; I420-E422 VanDerWaalsContact C-N 3.28Å; I420-E422 PolarHBondContact O-N 3.45Å; E422-I424 VanDerWaalsContact C-N 3.34Å; E422-I424 PolarHBondContact O-N 3.2Å; E422-K425 PolarHBondContact O-N 2.86Å; E422-K425 VanDerWaalsContact O-N 3.15Å; E422-Q426 WeakPolarHBondContact O-CG 3.27Å; E422-Q426 PolarHBondContact O-N 2.71Å; E422-Q426 PolarHBondContact OE1-NE2 3.01Å
423	G	96.3	Very high	97.5	Very high	7 Å²	7	38.9 Å²	38.9	7%	0.072	20%	0.196	C	C	.	.	H	α-helix	trans	-58.3	-42.2	176.6	0	0	0	0	0	113.4	L396 D419 I420 K425 Q426 C427	L396-G423 WeakPolarHBondContact CD2-O 3.43Å; D419-G423 PolarHBondContact O-N 3.35Å; I420-G423 PolarHBondContact O-N 3.09Å; G423-K425 PolarHBondContact O-N 3.02Å; G423-Q426 PolarHBondContact O-N 2.79Å; G423-C427 PolarHBondContact O-N 3.48Å
424	I	98.1	Very high	97.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-62.2	-42.6	175.7	-67	-72	0	0	0	111.5	V395 L396 L401 Y406 I420 E422 C427 G429 Y431	V395-I424 HydrophobicContact CB-CD1 4.48Å; V395-I424 HydrophobicContact CG1-CD1 3.57Å; L396-I424 HydrophobicContact CD2-CD1 3.9Å; L396-I424 HydrophobicContact CD2-CG1 4.49Å; L401-I424 HydrophobicContact CD1-CD1 3.86Å; L401-I424 HydrophobicContact CD1-CG2 4.46Å; Y406-I424 HydrophobicContact CD1-CD1 4.4Å; Y406-I424 HydrophobicContact CD1-CG1 4.39Å; Y406-I424 HydrophobicContact CD2-CD1 4.29Å; Y406-I424 HydrophobicContact CG-CD1 3.91Å; Y406-I424 HydrophobicContact CG-CG1 4.32Å; I420-I424 HydrophobicContact CG2-CG1 4.23Å; I420-I424 VanDerWaalsContact O-CG1 3.27Å; I420-I424 WeakPolarHBondContact O-CG1 3.35Å; I420-I424 PolarHBondContact O-N 3.34Å; E422-I424 VanDerWaalsContact C-N 3.34Å; E422-I424 PolarHBondContact O-N 3.2Å; I424-C427 CarbonylContact O-C 3.52Å; I424-C427 PolarHBondContact O-N 2.73Å; I424-G429 WeakPolarHBondContact O-CA 3.21Å; I424-G429 PolarHBondContact O-N 3.03Å; I424-Y431 HydrophobicContact CG1-CD2 4.29Å
425	K	96.8	Very high	97.6	Very high	104 Å²	104	37.2 Å²	37.2	45%	0.452	19%	0.187	S	C	.	.	H	α-helix	trans	-70.4	-34.9	179.2	-73.9	171.3	-174.2	176	0	113.4	G421 E422 G423 C427 N428 G429	G421-K425 WeakPolarHBondContact O-CD 3.35Å; G421-K425 WeakPolarHBondContact O-CG 3.47Å; G421-K425 PolarHBondContact O-N 3.12Å; E422-K425 PolarHBondContact O-N 2.86Å; E422-K425 VanDerWaalsContact O-N 3.15Å; G423-K425 PolarHBondContact O-N 3.02Å; K425-C427 PolarHBondContact O-N 3.28Å; K425-N428 PolarHBondContact O-N 3.43Å; K425-G429 WeakPolarHBondContact CA-O 3.3Å
426	Q	96.3	Very high	97.6	Very high	133 Å²	133	34.2 Å²	34.2	62%	0.621	17%	0.171	S	C	*	.	H	α-helix	trans	-64	-26.1	175.9	-73.8	177.9	7.4	0	0	112.3	E422 G423	E422-Q426 WeakPolarHBondContact O-CG 3.27Å; E422-Q426 PolarHBondContact O-N 2.71Å; E422-Q426 PolarHBondContact OE1-NE2 3.01Å; G423-Q426 PolarHBondContact O-N 2.79Å
427	C	96.4	Very high	97.5	Very high	22 Å²	22	36.2 Å²	36.2	15%	0.149	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	28	168.9	-68.3	0	0	0	0	112.9	L396 L401 G423 I424 K425 G429	L396-C427 HydrophobicContact CD2-CB 4.24Å; L401-C427 WeakPolarHBondContact CA-O 3.26Å; L401-C427 VanDerWaalsContact CB-O 3.26Å; L401-C427 WeakPolarHBondContact CB-O 3.39Å; L401-C427 HydrophobicContact CD1-CB 4.04Å; L401-C427 HydrophobicContact CG-CB 4.06Å; L401-C427 PolarHBondContact N-O 3.39Å; G423-C427 PolarHBondContact O-N 3.48Å; I424-C427 CarbonylContact O-C 3.52Å; I424-C427 PolarHBondContact O-N 2.73Å; K425-C427 PolarHBondContact O-N 3.28Å; C427-G429 PolarHBondContact O-N 2.82Å
428	N	97	Very high	97.3	Very high	112 Å²	112	37.5 Å²	37.5	60%	0.599	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	8.5	176.7	-65.3	81.6	0	0	0	116.7	K425	K425-N428 PolarHBondContact O-N 3.43Å
429	G	97.9	Very high	97	Very high	6 Å²	6	35.2 Å²	35.2	6%	0.062	18%	0.183	C	C	.	.			trans	-84.5	162.4	176.9	0	0	0	0	0	113.5	L401 I424 K425 C427	L401-G429 WeakPolarHBondContact O-CA 3.25Å; I424-G429 WeakPolarHBondContact O-CA 3.21Å; I424-G429 PolarHBondContact O-N 3.03Å; K425-G429 WeakPolarHBondContact CA-O 3.3Å; C427-G429 PolarHBondContact O-N 2.82Å
430	R	98.3	Very high	96.8	Very high	53 Å²	53	33.6 Å²	33.6	20%	0.2	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	144	175.9	-60.1	176	-65.1	141	-0.9	110.9	N403 K404 A405 Y406 S457 V458 E461	N403-R430 PolarHBondContact O-NH2 3.05Å; K404-R430 PolarHBondContact O-N 3.17Å; K404-R430 VanDerWaalsContact O-N 3.08Å; A405-R430 CarbonylContact C-O 3.48Å; A405-R430 WeakPolarHBondContact CA-O 3.31Å; A405-R430 HydrophobicContact CB-CB 4.32Å; Y406-R430 PolarHBondContact N-O 3.16Å; R430-S457 PolarHBondContact NH1-OG 2.87Å; R430-V458 HydrophobicContact CB-CG2 3.5Å; R430-E461 IonicContact CZ-OE1 2.71Å; R430-E461 IonicContact CZ-OE2 3.12Å; R430-E461 IonicContact NH1-OE1 3.5Å; R430-E461 PolarHBondContact NH1-OE1 3.24Å; R430-E461 IonicContact NH1-OE2 2.68Å; R430-E461 PolarHBondContact NH1-OE2 3.13Å; R430-E461 IonicContact NH2-OE1 2.83Å; R430-E461 IonicContact NH2-OE2 2.74Å; R430-E461 PolarHBondContact NH2-OE2 3.02Å
431	Y	98.6	Very high	96.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.3	-173.9	-179.9	-98.8	0	0	0	113.9	Y406 E408 S417 I420 G421 I424 E433 D455 I479	Y406-Y431 AromaticContact CD1-CD2 3.83Å; Y406-Y431 HydrophobicContact CD1-CD2 3.83Å; Y406-Y431 AromaticContact CD1-CE2 3.75Å; Y406-Y431 HydrophobicContact CD1-CE2 3.75Å; Y406-Y431 HydrophobicContact CE1-CE2 4.2Å; Y406-Y431 WeakPolarHBondContact O-CA 3.44Å; E408-Y431 HydrophobicContact CB-CE2 3.9Å; E408-Y431 WeakPolarHBondContact CB-OH 3.36Å; S417-Y431 PolarHBondContact O-OH 2.89Å; S417-Y431 PolarHBondContact OG-OH 2.99Å; I420-Y431 HydrophobicContact CB-CE2 4.24Å; I420-Y431 HydrophobicContact CG2-CD2 4.1Å; I420-Y431 HydrophobicContact CG2-CE2 3.47Å; I420-Y431 VanDerWaalsContact CG2-CE2 3.47Å; G421-Y431 VanDerWaalsContact CA-CD1 3.43Å; I424-Y431 HydrophobicContact CG1-CD2 4.29Å; Y431-E433 HydrophobicContact CE1-CB 4.32Å; Y431-D455 WeakPolarHBondContact O-CB 3.25Å; Y431-D455 PolarHBondContact O-N 3.29Å; Y431-I479 HydrophobicContact CD1-CD1 3.7Å; Y431-I479 HydrophobicContact CD1-CG1 4.1Å; Y431-I479 HydrophobicContact CD1-CG2 4.47Å; Y431-I479 HydrophobicContact CE1-CD1 4.24Å; Y431-I479 HydrophobicContact CE1-CG1 4.35Å; Y431-I479 HydrophobicContact CE1-CG2 3.94Å
432	L	98.8	Very high	96.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.5	171.8	-173	76.1	0	0	0	109.8	Y406 V407 E408 A434 A452 G453 D455 V458 F459 F466 F475	Y406-L432 PolarHBondContact O-N 3.42Å; V407-L432 CarbonylContact C-O 3.5Å; V407-L432 VanDerWaalsContact CA-O 3.27Å; V407-L432 WeakPolarHBondContact CA-O 3.02Å; V407-L432 HydrophobicContact CG1-CB 4.46Å; V407-L432 HydrophobicContact CG1-CD2 4.13Å; V407-L432 HydrophobicContact CG2-CB 4.3Å; V407-L432 HydrophobicContact CG2-CD2 4.48Å; E408-L432 PolarHBondContact N-O 2.83Å; L432-A434 HydrophobicContact CD2-CB 4.37Å; L432-A452 HydrophobicContact CD1-CB 4.31Å; L432-G453 WeakPolarHBondContact CD1-O 3.36Å; L432-D455 WeakPolarHBondContact CD1-O 3.09Å; L432-V458 HydrophobicContact CB-CB 4.18Å; L432-V458 HydrophobicContact CB-CG1 3.78Å; L432-V458 HydrophobicContact CD2-CG1 4.11Å; L432-F459 HydrophobicContact CD1-CB 3.98Å; L432-F459 HydrophobicContact CD2-CB 4.14Å; L432-F459 HydrophobicContact CD2-CD2 4.42Å; L432-F466 HydrophobicContact CD2-CE2 4.17Å; L432-F466 HydrophobicContact CD2-CZ 3.87Å; L432-F475 HydrophobicContact CD1-CE2 4.11Å
433	E	98.3	Very high	96.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	134.1	158	48.3	168.4	-153.4	0	0	108.6	S417 Y431 A452 G453 G480 N481 A482 C483	S417-E433 WeakPolarHBondContact CB-OE2 3.27Å; S417-E433 PolarHBondContact OG-OE2 2.94Å; Y431-E433 HydrophobicContact CE1-CB 4.32Å; E433-A452 CarbonylContact O-C 3.52Å; E433-A452 WeakPolarHBondContact O-CA 3.34Å; E433-G453 WeakPolarHBondContact CG-O 3.44Å; E433-G453 PolarHBondContact N-O 3.09Å; E433-G453 PolarHBondContact O-N 3.46Å; E433-G480 WeakPolarHBondContact OE1-CA 3.43Å; E433-G480 PolarHBondContact OE1-N 2.74Å; E433-G480 VanDerWaalsContact OE2-CA 3.31Å; E433-G480 WeakPolarHBondContact OE2-CA 3.36Å; E433-G480 PolarHBondContact OE2-N 2.95Å; E433-N481 PolarHBondContact OE1-N 2.94Å; E433-A482 HydrophobicContact CG-CB 4.08Å; E433-A482 WeakPolarHBondContact OE1-CA 3.32Å; E433-A482 VanDerWaalsContact OE1-CB 3.27Å; E433-A482 WeakPolarHBondContact OE1-CB 3.27Å; E433-A482 PolarHBondContact OE1-N 3.02Å; E433-C483 PolarHBondContact OE2-SG 2.85Å
434	A	98.5	Very high	95.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	68.5	-177.9	0	0	0	0	0	110.5	V407 E408 M409 L432 I436 I450 L451 F466	V407-A434 HydrophobicContact CG1-CB 3.57Å; E408-A434 PolarHBondContact O-N 2.78Å; M409-A434 WeakPolarHBondContact CA-O 3.4Å; M409-A434 HydrophobicContact CG-CB 4.25Å; L432-A434 HydrophobicContact CD2-CB 4.37Å; A434-I436 PolarHBondContact O-N 2.84Å; A434-I450 HydrophobicContact CB-CG2 4.19Å; A434-L451 CarbonylContact C-O 3.57Å; A434-L451 WeakPolarHBondContact CA-O 3.42Å; A434-F466 HydrophobicContact CB-CE1 4.39Å; A434-F466 HydrophobicContact CB-CZ 4.12Å
435	Q	98.1	Very high	95.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	120	-179.4	-64.5	-64.1	-59.8	0	0	111.5	S410 L451 A482 N486	S410-Q435 PolarHBondContact O-NE2 2.89Å; Q435-L451 HydrophobicContact CB-CB 4.24Å; Q435-L451 PolarHBondContact N-O 3.12Å; Q435-L451 PolarHBondContact O-N 3.31Å; Q435-A482 HydrophobicContact CB-CB 4.37Å; Q435-A482 HydrophobicContact CG-CB 3.93Å; Q435-N486 HydrophobicContact CB-CB 3.89Å; Q435-N486 HydrophobicContact CG-CB 4.01Å; Q435-N486 PolarHBondContact OE1-ND2 2.76Å
436	I	97	Very high	95.4	Very high	15 Å²	15	36.4 Å²	36.4	8%	0.077	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	131.5	174.8	55.1	-180	0	0	0	111.5	M326 I330 M409 A434 L448 I450	M326-I436 HydrophobicContact CB-CD1 3.74Å; M326-I436 HydrophobicContact CE-CD1 3.96Å; M326-I436 HydrophobicContact CG-CD1 4.09Å; I330-I436 HydrophobicContact CD1-CD1 3.87Å; M409-I436 HydrophobicContact CE-CG2 3.49Å; M409-I436 VanDerWaalsContact CE-CG2 3.49Å; A434-I436 PolarHBondContact O-N 2.84Å; I436-L448 HydrophobicContact CB-CD1 4.36Å; I436-L448 HydrophobicContact CG2-CD1 4.22Å; I436-I450 HydrophobicContact CG2-CG1 4.25Å
437	H	95.2	Very high	95.4	Very high	49 Å²	49	32.5 Å²	32.5	23%	0.227	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	119.5	174.5	-177.2	-68.9	0	0	0	110.2	I449	H437-I449 HydrophobicContact CB-CB 4.43Å; H437-I449 PolarHBondContact N-O 2.73Å; H437-I449 PolarHBondContact O-N 2.92Å
438	G	93.3	Very high	95.4	Very high	26 Å²	26	31.5 Å²	31.5	27%	0.268	17%	0.166	S	C	.	.	S	Bend	trans	159.8	165.2	-179.4	0	0	0	0	0	111.5	E442	G438-E442 WeakPolarHBondContact CA-OE2 3.48Å
439	S	92.5	Very high	95.5	Very high	32 Å²	32	28.2 Å²	28.2	22%	0.224	15%	0.148	C	C	.	.			trans	-77.2	165	171.9	54.9	0	0	0	0	112.8	Q441 E442 A443	S439-Q441 PolarHBondContact O-N 2.88Å; S439-E442 PolarHBondContact N-OE2 2.91Å; S439-E442 PolarHBondContact O-N 2.79Å; S439-E442 VanDerWaalsContact O-N 3.16Å; S439-E442 WeakPolarHBondContact OG-CG 3.42Å; S439-E442 PolarHBondContact OG-N 2.82Å; S439-E442 VanDerWaalsContact OG-N 3.17Å; S439-E442 PolarHBondContact OG-OE2 2.79Å; S439-A443 PolarHBondContact O-N 3.05Å
440	R	92.5	Very high	95.5	Very high	46 Å²	46	28 Å²	28	17%	0.174	15%	0.145	C	C	.	.	H	α-helix	trans	-53.7	-39.6	168.6	-176.6	-170.2	-177.6	-92.2	-0	111.9	Q295 M325 A443 A444 Q546	Q295-R440 PolarHBondContact O-NH2 2.88Å; M325-R440 HydrophobicContact CG-CB 3.99Å; M325-R440 HydrophobicContact CG-CG 3.81Å; M325-R440 HydrophobicContact SD-CB 4.13Å; M325-R440 HydrophobicContact SD-CG 4.46Å; R440-A443 WeakPolarHBondContact O-CB 3.28Å; R440-A443 PolarHBondContact O-N 2.95Å; R440-A444 PolarHBondContact O-N 3.02Å; R440-Q546 PolarHBondContact N-O 2.83Å
441	Q	91.5	Very high	95.5	Very high	110 Å²	110	25.9 Å²	25.9	51%	0.514	14%	0.138	S	C	.	.	H	α-helix	trans	-61.3	-51.1	174.4	-179.4	175.3	-8.4	0	0	111.9	S439 A443 A444 E445	S439-Q441 PolarHBondContact O-N 2.88Å; Q441-A443 PolarHBondContact O-N 3.18Å; Q441-A444 PolarHBondContact O-N 2.86Å; Q441-A444 VanDerWaalsContact O-N 3.11Å; Q441-E445 VanDerWaalsContact CG-OE1 3.26Å; Q441-E445 WeakPolarHBondContact CG-OE1 3.42Å; Q441-E445 PolarHBondContact NE2-OE1 3.03Å; Q441-E445 WeakPolarHBondContact O-CG 3.45Å; Q441-E445 PolarHBondContact O-N 2.79Å; Q441-E445 VanDerWaalsContact O-N 3.08Å
442	E	94	Very high	95.5	Very high	57 Å²	57	25.9 Å²	25.9	27%	0.266	14%	0.138	S	C	.	.	H	α-helix	trans	-60.9	-30.6	176.4	-74.1	168.2	108	0	0	112.3	G438 S439 E445 G446 M447 L448 K471	G438-E442 WeakPolarHBondContact CA-OE2 3.48Å; S439-E442 PolarHBondContact N-OE2 2.91Å; S439-E442 PolarHBondContact O-N 2.79Å; S439-E442 VanDerWaalsContact O-N 3.16Å; S439-E442 WeakPolarHBondContact OG-CG 3.42Å; S439-E442 PolarHBondContact OG-N 2.82Å; S439-E442 VanDerWaalsContact OG-N 3.17Å; S439-E442 PolarHBondContact OG-OE2 2.79Å; E442-E445 PolarHBondContact O-N 3.11Å; E442-G446 PolarHBondContact O-N 3.19Å; E442-M447 HydrophobicContact CB-CB 4.15Å; E442-M447 HydrophobicContact CG-CB 4.37Å; E442-M447 WeakPolarHBondContact O-CA 3.38Å; E442-M447 PolarHBondContact O-N 2.86Å; E442-L448 HydrophobicContact CB-CD2 4.45Å; E442-K471 IonicContact OE1-NZ 2.82Å; E442-K471 PolarHBondContact OE1-NZ 3.48Å
443	A	93.8	Very high	95.5	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-44.7	173.6	0	0	0	0	0	112.2	M326 T329 S439 R440 Q441 E445 G446 L448	M326-A443 HydrophobicContact CE-CB 3.71Å; M326-A443 HydrophobicContact SD-CB 4.09Å; T329-A443 HydrophobicContact CG2-CB 4.48Å; T329-A443 VanDerWaalsContact OG1-CB 3.24Å; T329-A443 WeakPolarHBondContact OG1-CB 3.35Å; S439-A443 PolarHBondContact O-N 3.05Å; R440-A443 WeakPolarHBondContact O-CB 3.28Å; R440-A443 PolarHBondContact O-N 2.95Å; Q441-A443 PolarHBondContact O-N 3.18Å; A443-E445 PolarHBondContact O-N 2.67Å; A443-G446 PolarHBondContact O-N 3.46Å; A443-L448 HydrophobicContact CB-CD1 4.22Å; A443-L448 HydrophobicContact CB-CD2 3.84Å; A443-L448 HydrophobicContact CB-CG 4.25Å
444	A	91.7	Very high	95.5	Very high	35 Å²	35	26.8 Å²	26.8	29%	0.289	15%	0.147	S	C	.	.	H	α-helix	trans	-71.7	-14.3	176.5	0	0	0	0	0	113.9	S303 T329 R440 Q441	S303-A444 WeakPolarHBondContact CB-O 3.31Å; T329-A444 HydrophobicContact CG2-CB 4.08Å; R440-A444 PolarHBondContact O-N 3.02Å; Q441-A444 PolarHBondContact O-N 2.86Å; Q441-A444 VanDerWaalsContact O-N 3.11Å
445	E	92.1	Very high	95.4	Very high	68 Å²	68	29.2 Å²	29.2	32%	0.318	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	2.9	176	-68.9	173.6	-169.7	0	0	112.8	T305 Q441 E442 A443 M447	T305-E445 WeakPolarHBondContact CB-O 3.19Å; T305-E445 PolarHBondContact OG1-O 3.06Å; Q441-E445 VanDerWaalsContact CG-OE1 3.26Å; Q441-E445 WeakPolarHBondContact CG-OE1 3.42Å; Q441-E445 PolarHBondContact NE2-OE1 3.03Å; Q441-E445 WeakPolarHBondContact O-CG 3.45Å; Q441-E445 PolarHBondContact O-N 2.79Å; Q441-E445 VanDerWaalsContact O-N 3.08Å; E442-E445 PolarHBondContact O-N 3.11Å; A443-E445 PolarHBondContact O-N 2.67Å; E445-M447 HydrophobicContact CB-CB 4.15Å; E445-M447 HydrophobicContact CB-CG 3.89Å; E445-M447 WeakPolarHBondContact O-CG 3.44Å; E445-M447 PolarHBondContact O-N 3.08Å
446	G	92.8	Very high	95.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	24	-173.1	0	0	0	0	0	113.3	R309 E442 A443 I469 A470 K471	R309-G446 VanDerWaalsContact CZ-O 3.27Å; R309-G446 PolarHBondContact NH1-O 2.79Å; R309-G446 PolarHBondContact NH2-O 3.18Å; E442-G446 PolarHBondContact O-N 3.19Å; A443-G446 PolarHBondContact O-N 3.46Å; G446-I469 CarbonylContact C-O 3.57Å; G446-I469 WeakPolarHBondContact CA-O 3.39Å; G446-I469 CarbonylContact O-C 3.3Å; G446-I469 VanDerWaalsContact O-C 3.31Å; G446-A470 CarbonylContact O-C 3.48Å; G446-A470 VanDerWaalsContact O-C 3.3Å; G446-A470 WeakPolarHBondContact O-CA 3.16Å; G446-A470 PolarHBondContact O-N 3.13Å; G446-K471 PolarHBondContact O-N 3.49Å
447	M	95.1	Very high	95.5	Very high	51 Å²	51	36.6 Å²	36.6	25%	0.251	19%	0.193	S	C	.	.			trans	-105.1	20	-169.5	-77	-68.2	176.9	0	0	113.2	T305 E442 E445 K471	T305-M447 HydrophobicContact CG2-CE 3.32Å; E442-M447 HydrophobicContact CB-CB 4.15Å; E442-M447 HydrophobicContact CG-CB 4.37Å; E442-M447 WeakPolarHBondContact O-CA 3.38Å; E442-M447 PolarHBondContact O-N 2.86Å; E445-M447 HydrophobicContact CB-CB 4.15Å; E445-M447 HydrophobicContact CB-CG 3.89Å; E445-M447 WeakPolarHBondContact O-CG 3.44Å; E445-M447 PolarHBondContact O-N 3.08Å; M447-K471 HydrophobicContact CB-CD 4.34Å; M447-K471 VanDerWaalsContact O-CD 3.31Å; M447-K471 WeakPolarHBondContact O-CD 3.12Å; M447-K471 WeakPolarHBondContact O-CE 3.45Å; M447-K471 WeakPolarHBondContact O-CG 3.49Å; M447-K471 PolarHBondContact O-NZ 3.31Å; M447-K471 HydrophobicContact SD-CB 3.7Å; M447-K471 HydrophobicContact SD-CD 3.83Å; M447-K471 HydrophobicContact SD-CG 4.29Å
448	L	97	Very high	95.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	161	176.4	-60.6	178.2	0	0	0	112.6	M326 I330 I436 E442 A443 I469 A470 K471	M326-L448 HydrophobicContact CE-CD1 4.3Å; M326-L448 HydrophobicContact CE-CD2 3.66Å; I330-L448 HydrophobicContact CD1-CD1 4.28Å; I330-L448 HydrophobicContact CG1-CD1 4.28Å; I436-L448 HydrophobicContact CB-CD1 4.36Å; I436-L448 HydrophobicContact CG2-CD1 4.22Å; E442-L448 HydrophobicContact CB-CD2 4.45Å; A443-L448 HydrophobicContact CB-CD1 4.22Å; A443-L448 HydrophobicContact CB-CD2 3.84Å; A443-L448 HydrophobicContact CB-CG 4.25Å; L448-I469 WeakPolarHBondContact CB-O 3.24Å; L448-I469 PolarHBondContact N-O 3.04Å; L448-A470 HydrophobicContact CB-CB 4.34Å; L448-A470 CarbonylContact O-C 3.55Å; L448-A470 WeakPolarHBondContact O-CA 3.43Å; L448-A470 VanDerWaalsContact O-CB 3.25Å; L448-A470 WeakPolarHBondContact O-CB 3.47Å; L448-K471 WeakPolarHBondContact O-CG 3.16Å; L448-K471 PolarHBondContact O-N 3.07Å
449	I	98	Very high	95.8	Very high	44 Å²	44	34.2 Å²	34.2	23%	0.226	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.3	162.8	-60.1	173.4	0	0	0	107.6	H437 L451 K471 N472 F474	H437-I449 HydrophobicContact CB-CB 4.43Å; H437-I449 PolarHBondContact N-O 2.73Å; H437-I449 PolarHBondContact O-N 2.92Å; I449-L451 HydrophobicContact CG2-CD2 4.18Å; I449-K471 HydrophobicContact CG1-CG 4.38Å; I449-N472 WeakPolarHBondContact CA-O 3.5Å; I449-F474 HydrophobicContact CG2-CD2 3.92Å; I449-F474 HydrophobicContact CG2-CE2 3.81Å
450	I	98.5	Very high	96.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.7	175.1	-63.2	175.2	0	0	0	109.2	A434 I436 A452 F466 I469 A470 N472 T473 F474	A434-I450 HydrophobicContact CB-CG2 4.19Å; I436-I450 HydrophobicContact CG2-CG1 4.25Å; I450-A452 HydrophobicContact CG2-CB 4.36Å; I450-F466 HydrophobicContact CD1-CB 3.86Å; I450-F466 HydrophobicContact CD1-CD1 3.34Å; I450-F466 HydrophobicContact CD1-CE1 3.98Å; I450-F466 HydrophobicContact CD1-CG 3.7Å; I450-I469 HydrophobicContact CD1-CD1 4.01Å; I450-I469 HydrophobicContact CD1-CG1 3.96Å; I450-A470 HydrophobicContact CD1-CB 3.68Å; I450-A470 HydrophobicContact CG1-CB 3.76Å; I450-N472 PolarHBondContact N-O 2.89Å; I450-T473 HydrophobicContact CB-CG2 4.27Å; I450-T473 HydrophobicContact CD1-CG2 4.45Å; I450-T473 CarbonylContact O-C 3.4Å; I450-T473 WeakPolarHBondContact O-CA 3.48Å; I450-F474 PolarHBondContact O-N 3.18Å
451	L	98.5	Very high	96.2	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.052	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	117.2	169.5	-52.6	175.6	0	0	0	107	A434 Q435 I449 F474 L476 A482 V485 N486 L489	A434-L451 CarbonylContact C-O 3.57Å; A434-L451 WeakPolarHBondContact CA-O 3.42Å; Q435-L451 HydrophobicContact CB-CB 4.24Å; Q435-L451 PolarHBondContact N-O 3.12Å; Q435-L451 PolarHBondContact O-N 3.31Å; I449-L451 HydrophobicContact CG2-CD2 4.18Å; L451-F474 HydrophobicContact CD2-CB 4.14Å; L451-F474 HydrophobicContact CD2-CD2 3.9Å; L451-F474 HydrophobicContact CD2-CG 4.33Å; L451-L476 HydrophobicContact CB-CD1 3.92Å; L451-L476 HydrophobicContact CD2-CD1 4.41Å; L451-A482 HydrophobicContact CB-CB 4.11Å; L451-A482 VanDerWaalsContact O-CB 3.25Å; L451-A482 WeakPolarHBondContact O-CB 3.15Å; L451-V485 HydrophobicContact CD1-CB 4.25Å; L451-V485 HydrophobicContact CD1-CG1 3.78Å; L451-N486 HydrophobicContact CD1-CB 4.17Å; L451-L489 HydrophobicContact CD1-CD1 3.99Å
452	A	98.7	Very high	96.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	149.2	-172.5	0	0	0	0	0	112.6	L432 E433 I450 F459 F474 F475 L476	L432-A452 HydrophobicContact CD1-CB 4.31Å; E433-A452 CarbonylContact O-C 3.52Å; E433-A452 WeakPolarHBondContact O-CA 3.34Å; I450-A452 HydrophobicContact CG2-CB 4.36Å; A452-F459 HydrophobicContact CB-CD2 3.44Å; A452-F459 VanDerWaalsContact CB-CD2 3.44Å; A452-F459 HydrophobicContact CB-CE2 3.61Å; A452-F474 PolarHBondContact N-O 3.22Å; A452-F475 HydrophobicContact CB-CD2 4.4Å; A452-L476 WeakPolarHBondContact O-CB 3.44Å; A452-L476 PolarHBondContact O-N 3.43Å
453	G	98.3	Very high	96.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	152	177.1	0	0	0	0	0	111.6	L432 E433 G477	L432-G453 WeakPolarHBondContact CD1-O 3.36Å; E433-G453 WeakPolarHBondContact CG-O 3.44Å; E433-G453 PolarHBondContact N-O 3.09Å; E433-G453 PolarHBondContact O-N 3.46Å; G453-G477 CarbonylContact C-O 3.57Å; G453-G477 WeakPolarHBondContact CA-O 3.49Å
454	G	98.2	Very high	96.7	Very high	19 Å²	19	36.2 Å²	36.2	20%	0.196	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114	-131.6	-174.3	0	0	0	0	0	112.7	R456 F475 G477	G454-R456 PolarHBondContact O-N 2.91Å; G454-F475 WeakPolarHBondContact O-CZ 3.23Å; G454-G477 PolarHBondContact N-O 3.12Å
455	D	97.8	Very high	97	Very high	50 Å²	50	34.6 Å²	34.6	27%	0.267	17%	0.171	S	C	.	.			trans	-72.3	120.2	-175.4	-164.3	-40.2	0	0	0	111.9	Y431 L432 S457 V458 F459	Y431-D455 WeakPolarHBondContact O-CB 3.25Å; Y431-D455 PolarHBondContact O-N 3.29Å; L432-D455 WeakPolarHBondContact CD1-O 3.09Å; D455-S457 VanDerWaalsContact C-N 3.34Å; D455-S457 VanDerWaalsContact CG-OG 3.3Å; D455-S457 PolarHBondContact O-N 3.45Å; D455-S457 WeakPolarHBondContact OD1-CB 3.32Å; D455-S457 PolarHBondContact OD1-N 3.49Å; D455-S457 PolarHBondContact OD1-OG 3.26Å; D455-V458 HydrophobicContact CB-CB 4.26Å; D455-V458 HydrophobicContact CB-CG2 3.85Å; D455-F459 PolarHBondContact O-N 2.81Å
456	R	97.9	Very high	97.3	Very high	128 Å²	128	31.4 Å²	31.4	48%	0.483	16%	0.156	S	C	.	.	H	α-helix	trans	-70.3	-28.7	-179.3	-179.6	56.5	-173.6	-96.3	-13.2	113	G454 F459 E460 F475	G454-R456 PolarHBondContact O-N 2.91Å; R456-F459 PolarHBondContact O-N 3.16Å; R456-E460 IonicContact CZ-OE1 3.29Å; R456-E460 IonicContact NE-OE1 3.59Å; R456-E460 PolarHBondContact NE-OE1 2.88Å; R456-E460 IonicContact NH2-OE1 2.65Å; R456-E460 PolarHBondContact NH2-OE1 3.13Å; R456-E460 WeakPolarHBondContact O-CG 3.38Å; R456-E460 PolarHBondContact O-N 3.07Å; R456-F475 HydrophobicContact CB-CE1 4.27Å; R456-F475 HydrophobicContact CB-CE2 4.31Å; R456-F475 HydrophobicContact CB-CZ 3.79Å; R456-F475 HydrophobicContact CG-CZ 4.38Å
457	S	97.5	Very high	97.4	Very high	42 Å²	42	35.5 Å²	35.5	29%	0.294	17%	0.174	S	C	.	.	H	α-helix	trans	-65.5	-47.2	176.3	65.3	0	0	0	0	111	R430 D455 F459 E460 E461	R430-S457 PolarHBondContact NH1-OG 2.87Å; D455-S457 VanDerWaalsContact C-N 3.34Å; D455-S457 VanDerWaalsContact CG-OG 3.3Å; D455-S457 PolarHBondContact O-N 3.45Å; D455-S457 WeakPolarHBondContact OD1-CB 3.32Å; D455-S457 PolarHBondContact OD1-N 3.49Å; D455-S457 PolarHBondContact OD1-OG 3.26Å; S457-F459 VanDerWaalsContact C-N 3.3Å; S457-F459 PolarHBondContact O-N 2.88Å; S457-E460 PolarHBondContact O-N 3.19Å; S457-E461 PolarHBondContact O-N 3.09Å
458	V	98.2	Very high	97.4	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.6	-39.6	177	-178.1	0	0	0	0	111.3	A405 V407 R430 L432 D455 E460 E461 C462	A405-V458 HydrophobicContact CB-CB 4.34Å; A405-V458 HydrophobicContact CB-CG1 3.74Å; A405-V458 HydrophobicContact CB-CG2 3.64Å; V407-V458 HydrophobicContact CG2-CG1 3.65Å; R430-V458 HydrophobicContact CB-CG2 3.5Å; L432-V458 HydrophobicContact CB-CB 4.18Å; L432-V458 HydrophobicContact CB-CG1 3.78Å; L432-V458 HydrophobicContact CD2-CG1 4.11Å; D455-V458 HydrophobicContact CB-CB 4.26Å; D455-V458 HydrophobicContact CB-CG2 3.85Å; V458-E460 VanDerWaalsContact C-N 3.28Å; V458-E460 PolarHBondContact O-N 2.65Å; V458-E461 PolarHBondContact O-N 3.17Å; V458-C462 WeakPolarHBondContact O-CB 3.44Å; V458-C462 PolarHBondContact O-N 2.81Å; V458-C462 PolarHBondContact O-SG 2.95Å
459	F	98.2	Very high	97.3	Very high	25 Å²	25	33.2 Å²	33.2	11%	0.11	16%	0.163	C	C	.	.	H	α-helix	trans	-61.5	-34.9	175.3	178.2	-98.8	0	0	0	113	L432 A452 D455 R456 S457 F466 F475	L432-F459 HydrophobicContact CD1-CB 3.98Å; L432-F459 HydrophobicContact CD2-CB 4.14Å; L432-F459 HydrophobicContact CD2-CD2 4.42Å; A452-F459 HydrophobicContact CB-CD2 3.44Å; A452-F459 VanDerWaalsContact CB-CD2 3.44Å; A452-F459 HydrophobicContact CB-CE2 3.61Å; D455-F459 PolarHBondContact O-N 2.81Å; R456-F459 PolarHBondContact O-N 3.16Å; S457-F459 VanDerWaalsContact C-N 3.3Å; S457-F459 PolarHBondContact O-N 2.88Å; F459-F466 HydrophobicContact CD2-CD2 4.24Å; F459-F466 AromaticContact CD2-CE2 3.67Å; F459-F466 HydrophobicContact CD2-CE2 3.67Å; F459-F466 HydrophobicContact CE2-CD2 4.15Å; F459-F466 AromaticContact CE2-CE2 3.98Å; F459-F466 HydrophobicContact CE2-CE2 3.98Å; F459-F466 HydrophobicContact CG-CE2 4.5Å; F459-F475 HydrophobicContact CB-CD2 3.8Å; F459-F475 HydrophobicContact CB-CE2 3.94Å; F459-F475 HydrophobicContact CD1-CB 4.2Å; F459-F475 AromaticContact CD1-CD2 3.91Å; F459-F475 HydrophobicContact CD1-CD2 3.91Å; F459-F475 HydrophobicContact CD1-CG 4.31Å; F459-F475 AromaticContact CD2-CD2 3.85Å; F459-F475 HydrophobicContact CD2-CD2 3.85Å; F459-F475 HydrophobicContact CE1-CB 3.96Å; F459-F475 HydrophobicContact CE1-CD2 4.48Å; F459-F475 HydrophobicContact CE2-CB 4.31Å; F459-F475 HydrophobicContact CE2-CD2 4.43Å; F459-F475 HydrophobicContact CG-CB 4.49Å; F459-F475 AromaticContact CG-CD2 3.56Å; F459-F475 HydrophobicContact CG-CD2 3.56Å; F459-F475 HydrophobicContact CG-CE2 4.22Å; F459-F475 HydrophobicContact CG-CG 4.38Å; F459-F475 HydrophobicContact CZ-CB 4.02Å
460	E	97.1	Very high	97.3	Very high	107 Å²	107	31.5 Å²	31.5	50%	0.5	16%	0.155	S	C	.	.	H	α-helix	trans	-80	-37.9	178.6	-70.4	177.8	173.2	0	0	112	R456 S457 V458 C462 H463	R456-E460 IonicContact CZ-OE1 3.29Å; R456-E460 IonicContact NE-OE1 3.59Å; R456-E460 PolarHBondContact NE-OE1 2.88Å; R456-E460 IonicContact NH2-OE1 2.65Å; R456-E460 PolarHBondContact NH2-OE1 3.13Å; R456-E460 WeakPolarHBondContact O-CG 3.38Å; R456-E460 PolarHBondContact O-N 3.07Å; S457-E460 PolarHBondContact O-N 3.19Å; V458-E460 VanDerWaalsContact C-N 3.28Å; V458-E460 PolarHBondContact O-N 2.65Å; E460-C462 VanDerWaalsContact C-N 3.32Å; E460-C462 PolarHBondContact O-N 3.19Å; E460-H463 WeakPolarHBondContact O-CB 3.31Å; E460-H463 PolarHBondContact O-N 3.09Å; E460-H463 VanDerWaalsContact O-N 3.13Å
461	E	96.3	Very high	97.1	Very high	57 Å²	57	35.3 Å²	35.3	27%	0.266	17%	0.171	S	C	.	.	H	α-helix	trans	-62.4	-37.3	172.2	-74.5	163.2	-144.8	0	0	112.4	R430 S457 V458 H463	R430-E461 IonicContact CZ-OE1 2.71Å; R430-E461 IonicContact CZ-OE2 3.12Å; R430-E461 IonicContact NH1-OE1 3.5Å; R430-E461 PolarHBondContact NH1-OE1 3.24Å; R430-E461 IonicContact NH1-OE2 2.68Å; R430-E461 PolarHBondContact NH1-OE2 3.13Å; R430-E461 IonicContact NH2-OE1 2.83Å; R430-E461 IonicContact NH2-OE2 2.74Å; R430-E461 PolarHBondContact NH2-OE2 3.02Å; S457-E461 PolarHBondContact O-N 3.09Å; V458-E461 PolarHBondContact O-N 3.17Å; E461-H463 PolarHBondContact O-N 3.46Å
462	C	97.4	Very high	97	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	1.2	175.7	-66.1	0	0	0	0	114.2	V458 E460 S464 C465 F466	V458-C462 WeakPolarHBondContact O-CB 3.44Å; V458-C462 PolarHBondContact O-N 2.81Å; V458-C462 PolarHBondContact O-SG 2.95Å; E460-C462 VanDerWaalsContact C-N 3.32Å; E460-C462 PolarHBondContact O-N 3.19Å; C462-S464 PolarHBondContact O-N 3.47Å; C462-C465 PolarHBondContact O-N 3.11Å; C462-F466 HydrophobicContact CB-CD1 4.16Å; C462-F466 HydrophobicContact CB-CD2 3.76Å; C462-F466 HydrophobicContact CB-CE1 3.81Å; C462-F466 HydrophobicContact CB-CE2 3.35Å; C462-F466 HydrophobicContact CB-CG 4.16Å; C462-F466 HydrophobicContact CB-CZ 3.38Å; C462-F466 VanDerWaalsContact O-CG 3.3Å; C462-F466 WeakPolarHBondContact O-CG 3.37Å; C462-F466 PolarHBondContact O-N 3.42Å
463	H	95.8	Very high	97	Very high	108 Å²	108	41.5 Å²	41.5	50%	0.5	21%	0.206	S	C	.	.	H	α-helix	trans	-56.7	-42.6	-170	179	71.7	0	0	0	113.9	E460 E461 F466 K467	E460-H463 WeakPolarHBondContact O-CB 3.31Å; E460-H463 PolarHBondContact O-N 3.09Å; E460-H463 VanDerWaalsContact O-N 3.13Å; E461-H463 PolarHBondContact O-N 3.46Å; H463-F466 PolarHBondContact O-N 3.19Å; H463-K467 VanDerWaalsContact O-CB 3.29Å; H463-K467 WeakPolarHBondContact O-CB 3.38Å; H463-K467 PolarHBondContact O-N 3.33Å
464	S	96.5	Very high	97	Very high	17 Å²	17	46.3 Å²	46.3	12%	0.119	23%	0.227	C	C	.	.	H	α-helix	trans	-65.5	-47.2	178.4	47.1	0	0	0	0	111.6	V312 H339 C462 F466 K467 T468	V312-S464 WeakPolarHBondContact O-CB 3.45Å; H339-S464 PolarHBondContact CE1-OG 2.89Å; C462-S464 PolarHBondContact O-N 3.47Å; S464-F466 VanDerWaalsContact C-N 3.33Å; S464-F466 PolarHBondContact O-N 3.5Å; S464-K467 WeakPolarHBondContact O-CB 3.33Å; S464-K467 PolarHBondContact O-N 3.13Å; S464-K467 VanDerWaalsContact O-N 3.16Å; S464-T468 PolarHBondContact O-N 2.98Å; S464-T468 PolarHBondContact O-OG1 3.39Å
465	C	97.4	Very high	97	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.007	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-41	175.2	-61.1	0	0	0	0	112.4	F318 L334 F376 C462 T468 I469	F318-C465 WeakPolarHBondContact CE1-SG 3.34Å; F318-C465 WeakPolarHBondContact CZ-SG 3.44Å; L334-C465 HydrophobicContact CD2-CB 3.64Å; F376-C465 HydrophobicContact CE2-CB 4.29Å; F376-C465 HydrophobicContact CZ-CB 3.91Å; C462-C465 PolarHBondContact O-N 3.11Å; C465-T468 WeakPolarHBondContact O-CB 3.32Å; C465-T468 PolarHBondContact O-N 3.42Å; C465-I469 WeakPolarHBondContact O-CG1 3.32Å; C465-I469 PolarHBondContact O-N 3.48Å
466	F	97.4	Very high	97	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-69.5	-37.7	175.6	-64.3	-20.5	0	0	0	112.4	F376 L432 A434 I450 F459 C462 H463 S464 T468 I469 A470 T473	F376-F466 HydrophobicContact CE1-CE1 4.04Å; L432-F466 HydrophobicContact CD2-CE2 4.17Å; L432-F466 HydrophobicContact CD2-CZ 3.87Å; A434-F466 HydrophobicContact CB-CE1 4.39Å; A434-F466 HydrophobicContact CB-CZ 4.12Å; I450-F466 HydrophobicContact CD1-CB 3.86Å; I450-F466 HydrophobicContact CD1-CD1 3.34Å; I450-F466 HydrophobicContact CD1-CE1 3.98Å; I450-F466 HydrophobicContact CD1-CG 3.7Å; F459-F466 HydrophobicContact CD2-CD2 4.24Å; F459-F466 AromaticContact CD2-CE2 3.67Å; F459-F466 HydrophobicContact CD2-CE2 3.67Å; F459-F466 HydrophobicContact CE2-CD2 4.15Å; F459-F466 AromaticContact CE2-CE2 3.98Å; F459-F466 HydrophobicContact CE2-CE2 3.98Å; F459-F466 HydrophobicContact CG-CE2 4.5Å; C462-F466 HydrophobicContact CB-CD1 4.16Å; C462-F466 HydrophobicContact CB-CD2 3.76Å; C462-F466 HydrophobicContact CB-CE1 3.81Å; C462-F466 HydrophobicContact CB-CE2 3.35Å; C462-F466 HydrophobicContact CB-CG 4.16Å; C462-F466 HydrophobicContact CB-CZ 3.38Å; C462-F466 VanDerWaalsContact O-CG 3.3Å; C462-F466 WeakPolarHBondContact O-CG 3.37Å; C462-F466 PolarHBondContact O-N 3.42Å; H463-F466 PolarHBondContact O-N 3.19Å; S464-F466 VanDerWaalsContact C-N 3.33Å; S464-F466 PolarHBondContact O-N 3.5Å; F466-T468 VanDerWaalsContact C-N 3.27Å; F466-T468 PolarHBondContact O-N 2.88Å; F466-I469 PolarHBondContact O-N 2.77Å; F466-A470 VanDerWaalsContact O-CB 3.3Å; F466-A470 WeakPolarHBondContact O-CB 3.36Å; F466-A470 PolarHBondContact O-N 2.97Å; F466-T473 HydrophobicContact CB-CG2 3.77Å; F466-T473 HydrophobicContact CG-CG2 4.46Å
467	K	95.5	Very high	97	Very high	85 Å²	85	43.6 Å²	43.6	37%	0.37	22%	0.221	S	C	.	.	H	α-helix	trans	-64.7	-30.2	173.1	-171.3	-176.7	-176.4	-174.3	0	112.2	R309 D310 I311 H463 S464	R309-K467 WeakPolarHBondContact CD-O 3.33Å; R309-K467 PolarHBondContact NH1-O 3.01Å; D310-K467 WeakPolarHBondContact O-CE 3.28Å; D310-K467 PolarHBondContact O-NZ 2.94Å; I311-K467 HydrophobicContact CG1-CD 4.14Å; I311-K467 HydrophobicContact CG1-CG 4.16Å; H463-K467 VanDerWaalsContact O-CB 3.29Å; H463-K467 WeakPolarHBondContact O-CB 3.38Å; H463-K467 PolarHBondContact O-N 3.33Å; S464-K467 WeakPolarHBondContact O-CB 3.33Å; S464-K467 PolarHBondContact O-N 3.13Å; S464-K467 VanDerWaalsContact O-N 3.16Å
468	T	95.3	Very high	97	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.8	-57.1	170.6	-63.9	0	0	0	0	111.2	L306 R309 D333 L334 T337 S464 C465 F466	L306-T468 HydrophobicContact CD1-CG2 3.98Å; R309-T468 PolarHBondContact NH1-O 3.45Å; D333-T468 HydrophobicContact CB-CG2 3.72Å; D333-T468 WeakPolarHBondContact O-CG2 3.43Å; L334-T468 HydrophobicContact CD2-CG2 4.17Å; T337-T468 HydrophobicContact CG2-CG2 3.81Å; T337-T468 PolarHBondContact OG1-OG1 3.34Å; S464-T468 PolarHBondContact O-N 2.98Å; S464-T468 PolarHBondContact O-OG1 3.39Å; C465-T468 WeakPolarHBondContact O-CB 3.32Å; C465-T468 PolarHBondContact O-N 3.42Å; F466-T468 VanDerWaalsContact C-N 3.27Å; F466-T468 PolarHBondContact O-N 2.88Å
469	I	95.4	Very high	96.9	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-94.5	-12.2	-166.1	69.6	-174.3	0	0	0	115.8	I330 D333 M409 G446 L448 I450 C465 F466	I330-I469 HydrophobicContact CB-CG2 4.39Å; I330-I469 HydrophobicContact CD1-CD1 4.33Å; I330-I469 HydrophobicContact CG1-CB 4.49Å; I330-I469 HydrophobicContact CG1-CD1 4.1Å; I330-I469 HydrophobicContact CG1-CG2 4.32Å; I330-I469 HydrophobicContact CG2-CD1 4Å; I330-I469 HydrophobicContact CG2-CG2 4.11Å; D333-I469 HydrophobicContact CB-CG2 4.3Å; M409-I469 HydrophobicContact CE-CD1 3.81Å; G446-I469 CarbonylContact C-O 3.57Å; G446-I469 WeakPolarHBondContact CA-O 3.39Å; G446-I469 CarbonylContact O-C 3.3Å; G446-I469 VanDerWaalsContact O-C 3.31Å; L448-I469 WeakPolarHBondContact CB-O 3.24Å; L448-I469 PolarHBondContact N-O 3.04Å; I450-I469 HydrophobicContact CD1-CD1 4.01Å; I450-I469 HydrophobicContact CD1-CG1 3.96Å; C465-I469 WeakPolarHBondContact O-CG1 3.32Å; C465-I469 PolarHBondContact O-N 3.48Å; F466-I469 PolarHBondContact O-N 2.77Å
470	A	96.6	Very high	96.9	Very high	7 Å²	7	47.7 Å²	47.7	6%	0.058	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.3	-170.6	0	0	0	0	0	114.3	R309 G446 L448 I450 F466 T473	R309-A470 PolarHBondContact NH1-O 3.23Å; R309-A470 VanDerWaalsContact NH1-O 3.1Å; G446-A470 CarbonylContact O-C 3.48Å; G446-A470 VanDerWaalsContact O-C 3.3Å; G446-A470 WeakPolarHBondContact O-CA 3.16Å; G446-A470 PolarHBondContact O-N 3.13Å; L448-A470 HydrophobicContact CB-CB 4.34Å; L448-A470 CarbonylContact O-C 3.55Å; L448-A470 WeakPolarHBondContact O-CA 3.43Å; L448-A470 VanDerWaalsContact O-CB 3.25Å; L448-A470 WeakPolarHBondContact O-CB 3.47Å; I450-A470 HydrophobicContact CD1-CB 3.68Å; I450-A470 HydrophobicContact CG1-CB 3.76Å; F466-A470 VanDerWaalsContact O-CB 3.3Å; F466-A470 WeakPolarHBondContact O-CB 3.36Å; F466-A470 PolarHBondContact O-N 2.97Å; A470-T473 HydrophobicContact CB-CG2 4.31Å
471	K	95.5	Very high	96.9	Very high	81 Å²	81	45.3 Å²	45.3	35%	0.352	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-29.1	170.1	62.7	-174.2	172.7	-124.6	0	112.7	E442 G446 M447 L448 I449	E442-K471 IonicContact OE1-NZ 2.82Å; E442-K471 PolarHBondContact OE1-NZ 3.48Å; G446-K471 PolarHBondContact O-N 3.49Å; M447-K471 HydrophobicContact CB-CD 4.34Å; M447-K471 VanDerWaalsContact O-CD 3.31Å; M447-K471 WeakPolarHBondContact O-CD 3.12Å; M447-K471 WeakPolarHBondContact O-CE 3.45Å; M447-K471 WeakPolarHBondContact O-CG 3.49Å; M447-K471 PolarHBondContact O-NZ 3.31Å; M447-K471 HydrophobicContact SD-CB 3.7Å; M447-K471 HydrophobicContact SD-CD 3.83Å; M447-K471 HydrophobicContact SD-CG 4.29Å; L448-K471 WeakPolarHBondContact O-CG 3.16Å; L448-K471 PolarHBondContact O-N 3.07Å; I449-K471 HydrophobicContact CG1-CG 4.38Å
472	N	96.6	Very high	97	Very high	84 Å²	84	42.6 Å²	42.6	45%	0.449	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	142.8	178.9	-66.8	106.6	0	0	0	111.2	I449 I450 F474	I449-N472 WeakPolarHBondContact CA-O 3.5Å; I450-N472 PolarHBondContact N-O 2.89Å; N472-F474 HydrophobicContact CB-CE2 3.8Å; N472-F474 HydrophobicContact CB-CZ 4.26Å
473	T	98	Very high	97	Very high	55 Å²	55	42.6 Å²	42.6	34%	0.337	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.3	177.8	60.5	0	0	0	0	109.5	I450 F466 A470	I450-T473 HydrophobicContact CB-CG2 4.27Å; I450-T473 HydrophobicContact CD1-CG2 4.45Å; I450-T473 CarbonylContact O-C 3.4Å; I450-T473 WeakPolarHBondContact O-CA 3.48Å; F466-T473 HydrophobicContact CB-CG2 3.77Å; F466-T473 HydrophobicContact CG-CG2 4.46Å; A470-T473 HydrophobicContact CB-CG2 4.31Å
474	F	98.4	Very high	97.2	Very high	101 Å²	101	41.5 Å²	41.5	44%	0.443	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127	180	-62.7	-87.6	0	0	0	110.3	I449 I450 L451 A452 N472 L476	I449-F474 HydrophobicContact CG2-CD2 3.92Å; I449-F474 HydrophobicContact CG2-CE2 3.81Å; I450-F474 PolarHBondContact O-N 3.18Å; L451-F474 HydrophobicContact CD2-CB 4.14Å; L451-F474 HydrophobicContact CD2-CD2 3.9Å; L451-F474 HydrophobicContact CD2-CG 4.33Å; A452-F474 PolarHBondContact N-O 3.22Å; N472-F474 HydrophobicContact CB-CE2 3.8Å; N472-F474 HydrophobicContact CB-CZ 4.26Å; F474-L476 HydrophobicContact CB-CD2 4.41Å
475	F	98.5	Very high	97.2	Very high	60 Å²	60	43.4 Å²	43.4	26%	0.263	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117.7	172.2	-171.7	-96.7	0	0	0	110	L432 A452 G454 R456 F459	L432-F475 HydrophobicContact CD1-CE2 4.11Å; A452-F475 HydrophobicContact CB-CD2 4.4Å; G454-F475 WeakPolarHBondContact O-CZ 3.23Å; R456-F475 HydrophobicContact CB-CE1 4.27Å; R456-F475 HydrophobicContact CB-CE2 4.31Å; R456-F475 HydrophobicContact CB-CZ 3.79Å; R456-F475 HydrophobicContact CG-CZ 4.38Å; F459-F475 HydrophobicContact CB-CD2 3.8Å; F459-F475 HydrophobicContact CB-CE2 3.94Å; F459-F475 HydrophobicContact CD1-CB 4.2Å; F459-F475 AromaticContact CD1-CD2 3.91Å; F459-F475 HydrophobicContact CD1-CD2 3.91Å; F459-F475 HydrophobicContact CD1-CG 4.31Å; F459-F475 AromaticContact CD2-CD2 3.85Å; F459-F475 HydrophobicContact CD2-CD2 3.85Å; F459-F475 HydrophobicContact CE1-CB 3.96Å; F459-F475 HydrophobicContact CE1-CD2 4.48Å; F459-F475 HydrophobicContact CE2-CB 4.31Å; F459-F475 HydrophobicContact CE2-CD2 4.43Å; F459-F475 HydrophobicContact CG-CB 4.49Å; F459-F475 AromaticContact CG-CD2 3.56Å; F459-F475 HydrophobicContact CG-CD2 3.56Å; F459-F475 HydrophobicContact CG-CE2 4.22Å; F459-F475 HydrophobicContact CG-CG 4.38Å; F459-F475 HydrophobicContact CZ-CB 4.02Å
476	L	98.3	Very high	97.3	Very high	55 Å²	55	43.4 Å²	43.4	29%	0.288	22%	0.223	S	C	.	.			trans	-105.1	14	-168.4	-59.7	173	0	0	0	113	L451 A452 F474 N481 A482 V485	L451-L476 HydrophobicContact CB-CD1 3.92Å; L451-L476 HydrophobicContact CD2-CD1 4.41Å; A452-L476 WeakPolarHBondContact O-CB 3.44Å; A452-L476 PolarHBondContact O-N 3.43Å; F474-L476 HydrophobicContact CB-CD2 4.41Å; L476-N481 HydrophobicContact CB-CB 4.02Å; L476-N481 WeakPolarHBondContact O-CB 3.5Å; L476-N481 PolarHBondContact O-ND2 3.4Å; L476-A482 HydrophobicContact CD1-CB 4.18Å; L476-V485 HydrophobicContact CD1-CB 4.09Å; L476-V485 HydrophobicContact CD1-CG1 4.49Å; L476-V485 HydrophobicContact CD1-CG2 4Å
477	G	97.3	Very high	97.3	Very high	25 Å²	25	43.3 Å²	43.3	26%	0.258	22%	0.223	S	C	.	.	S	Bend	trans	82.6	-122.3	177.6	0	0	0	0	0	112.2	G453 G454	G453-G477 CarbonylContact C-O 3.57Å; G453-G477 WeakPolarHBondContact CA-O 3.49Å; G454-G477 PolarHBondContact N-O 3.12Å
478	N	96.8	Very high	97.4	Very high	130 Å²	130	43.7 Å²	43.7	70%	0.695	23%	0.227	S	C	*	.	S	Bend	trans	-68.8	158.8	-170.1	-60.7	-6.7	0	0	0	113.4	N481	N478-N481 WeakPolarHBondContact O-CB 3.37Å; N478-N481 PolarHBondContact O-N 3.29Å
479	I	97.5	Very high	97.6	Very high	23 Å²	23	46.5 Å²	46.5	12%	0.118	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	143.4	173.5	-56.2	171.7	0	0	0	110.7	S417 L418 Y431 N481	S417-I479 WeakPolarHBondContact OG-CG2 3.37Å; L418-I479 HydrophobicContact CD2-CB 3.86Å; L418-I479 HydrophobicContact CD2-CG2 3.73Å; L418-I479 HydrophobicContact CG-CG2 4.11Å; Y431-I479 HydrophobicContact CD1-CD1 3.7Å; Y431-I479 HydrophobicContact CD1-CG1 4.1Å; Y431-I479 HydrophobicContact CD1-CG2 4.47Å; Y431-I479 HydrophobicContact CE1-CD1 4.24Å; Y431-I479 HydrophobicContact CE1-CG1 4.35Å; Y431-I479 HydrophobicContact CE1-CG2 3.94Å; I479-N481 VanDerWaalsContact C-N 3.3Å; I479-N481 PolarHBondContact O-N 2.97Å
480	G	96.9	Very high	97.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-15.8	-177.1	0	0	0	0	0	114.1	E433 K484	E433-G480 WeakPolarHBondContact OE1-CA 3.43Å; E433-G480 PolarHBondContact OE1-N 2.74Å; E433-G480 VanDerWaalsContact OE2-CA 3.31Å; E433-G480 WeakPolarHBondContact OE2-CA 3.36Å; E433-G480 PolarHBondContact OE2-N 2.95Å; G480-K484 WeakPolarHBondContact O-CB 3.37Å; G480-K484 VanDerWaalsContact O-CD 3.31Å; G480-K484 WeakPolarHBondContact O-CD 3.25Å; G480-K484 WeakPolarHBondContact O-CG 3.48Å; G480-K484 PolarHBondContact O-N 2.79Å
481	N	98	Very high	97.7	Very high	57 Å²	57	47.5 Å²	47.5	31%	0.305	25%	0.247	S	C	.	.	H	α-helix	trans	-72	-37.6	179.7	-76.1	-9.6	0	0	0	112.5	E433 L476 N478 I479 K484 V485	E433-N481 PolarHBondContact OE1-N 2.94Å; L476-N481 HydrophobicContact CB-CB 4.02Å; L476-N481 WeakPolarHBondContact O-CB 3.5Å; L476-N481 PolarHBondContact O-ND2 3.4Å; N478-N481 WeakPolarHBondContact O-CB 3.37Å; N478-N481 PolarHBondContact O-N 3.29Å; I479-N481 VanDerWaalsContact C-N 3.3Å; I479-N481 PolarHBondContact O-N 2.97Å; N481-K484 PolarHBondContact O-N 3.41Å; N481-V485 WeakPolarHBondContact O-CG2 3.14Å; N481-V485 PolarHBondContact O-N 2.68Å
482	A	98.4	Very high	97.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67.8	-42.5	174.6	0	0	0	0	0	111.4	E433 Q435 L451 L476 K484 V485 N486	E433-A482 HydrophobicContact CG-CB 4.08Å; E433-A482 WeakPolarHBondContact OE1-CA 3.32Å; E433-A482 VanDerWaalsContact OE1-CB 3.27Å; E433-A482 WeakPolarHBondContact OE1-CB 3.27Å; E433-A482 PolarHBondContact OE1-N 3.02Å; Q435-A482 HydrophobicContact CB-CB 4.37Å; Q435-A482 HydrophobicContact CG-CB 3.93Å; L451-A482 HydrophobicContact CB-CB 4.11Å; L451-A482 VanDerWaalsContact O-CB 3.25Å; L451-A482 WeakPolarHBondContact O-CB 3.15Å; L476-A482 HydrophobicContact CD1-CB 4.18Å; A482-K484 PolarHBondContact O-N 2.84Å; A482-V485 PolarHBondContact O-N 2.77Å; A482-N486 VanDerWaalsContact O-CB 3.32Å; A482-N486 WeakPolarHBondContact O-CB 3.45Å; A482-N486 PolarHBondContact O-N 2.94Å
483	C	98.1	Very high	97.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.1	-47.5	173.6	-69.2	0	0	0	0	111.8	P414 E433 V485 N486 L487	P414-C483 HydrophobicContact CB-CB 4.38Å; P414-C483 HydrophobicContact CG-CB 3.98Å; E433-C483 PolarHBondContact OE2-SG 2.85Å; C483-V485 PolarHBondContact O-N 2.93Å; C483-N486 PolarHBondContact O-N 3.26Å; C483-L487 WeakPolarHBondContact O-CB 3.49Å; C483-L487 WeakPolarHBondContact O-CG 3.37Å; C483-L487 PolarHBondContact O-N 2.63Å
484	K	98.1	Very high	97.9	Very high	86 Å²	86	43 Å²	43	37%	0.374	22%	0.224	S	C	.	.	H	α-helix	trans	-56.7	-51.1	176.4	-72.6	161.3	-165.8	166.5	0	112.2	P414 G480 N481 A482 L487 I488 M562	P414-K484 HydrophobicContact CB-CG 4.36Å; P414-K484 HydrophobicContact CG-CD 4.45Å; P414-K484 HydrophobicContact CG-CG 3.61Å; G480-K484 WeakPolarHBondContact O-CB 3.37Å; G480-K484 VanDerWaalsContact O-CD 3.31Å; G480-K484 WeakPolarHBondContact O-CD 3.25Å; G480-K484 WeakPolarHBondContact O-CG 3.48Å; G480-K484 PolarHBondContact O-N 2.79Å; N481-K484 PolarHBondContact O-N 3.41Å; A482-K484 PolarHBondContact O-N 2.84Å; K484-L487 PolarHBondContact O-N 2.77Å; K484-I488 WeakPolarHBondContact O-CD1 3.49Å; K484-I488 VanDerWaalsContact O-CG1 3.28Å; K484-I488 WeakPolarHBondContact O-CG1 3.43Å; K484-I488 PolarHBondContact O-N 3.01Å; K484-M562 HydrophobicContact CB-SD 4.29Å; K484-M562 HydrophobicContact CG-SD 3.88Å
485	V	98.3	Very high	97.9	Very high	56 Å²	56	40.3 Å²	40.3	34%	0.339	22%	0.215	S	C	.	.	H	α-helix	trans	-64.7	-41.7	-179.4	176.1	0	0	0	0	111	L451 L476 N481 A482 C483 I488 L489	L451-V485 HydrophobicContact CD1-CB 4.25Å; L451-V485 HydrophobicContact CD1-CG1 3.78Å; L476-V485 HydrophobicContact CD1-CB 4.09Å; L476-V485 HydrophobicContact CD1-CG1 4.49Å; L476-V485 HydrophobicContact CD1-CG2 4Å; N481-V485 WeakPolarHBondContact O-CG2 3.14Å; N481-V485 PolarHBondContact O-N 2.68Å; A482-V485 PolarHBondContact O-N 2.77Å; C483-V485 PolarHBondContact O-N 2.93Å; V485-I488 PolarHBondContact O-N 3.22Å; V485-L489 WeakPolarHBondContact O-CG 3.39Å; V485-L489 PolarHBondContact O-N 3.21Å; V485-L489 VanDerWaalsContact O-N 3.08Å
486	N	98.2	Very high	97.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-46.8	177.8	-165.2	29.2	0	0	0	111.7	Q435 L451 A482 C483 I488 L489 Q490	Q435-N486 HydrophobicContact CB-CB 3.89Å; Q435-N486 HydrophobicContact CG-CB 4.01Å; Q435-N486 PolarHBondContact OE1-ND2 2.76Å; L451-N486 HydrophobicContact CD1-CB 4.17Å; A482-N486 VanDerWaalsContact O-CB 3.32Å; A482-N486 WeakPolarHBondContact O-CB 3.45Å; A482-N486 PolarHBondContact O-N 2.94Å; C483-N486 PolarHBondContact O-N 3.26Å; N486-I488 VanDerWaalsContact C-N 3.31Å; N486-I488 PolarHBondContact O-N 2.88Å; N486-L489 WeakPolarHBondContact O-CA 3.35Å; N486-L489 WeakPolarHBondContact O-CB 3.47Å; N486-L489 PolarHBondContact O-N 2.9Å; N486-Q490 WeakPolarHBondContact O-CG 3.42Å; N486-Q490 PolarHBondContact O-N 3.14Å
487	L	98.2	Very high	97.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.8	-35.1	177.4	-68.8	179.1	0	0	0	112.6	T411 C483 K484 L489 Q490 T491 L558 V559 M562	T411-L487 HydrophobicContact CG2-CD2 4.23Å; C483-L487 WeakPolarHBondContact O-CB 3.49Å; C483-L487 WeakPolarHBondContact O-CG 3.37Å; C483-L487 PolarHBondContact O-N 2.63Å; K484-L487 PolarHBondContact O-N 2.77Å; L487-L489 VanDerWaalsContact C-N 3.35Å; L487-L489 PolarHBondContact O-N 3.14Å; L487-Q490 PolarHBondContact O-N 2.89Å; L487-T491 PolarHBondContact O-N 2.83Å; L487-T491 PolarHBondContact O-OG1 3.17Å; L487-L558 HydrophobicContact CD1-CB 3.92Å; L487-L558 HydrophobicContact CD2-CB 3.72Å; L487-L558 HydrophobicContact CD2-CD1 4.19Å; L487-V559 HydrophobicContact CB-CG2 3.9Å; L487-V559 HydrophobicContact CD2-CG2 4.35Å; L487-V559 WeakPolarHBondContact O-CG2 3.2Å; L487-M562 HydrophobicContact CB-CE 3.95Å; L487-M562 HydrophobicContact CB-SD 4.45Å; L487-M562 HydrophobicContact CD1-CE 4.5Å; L487-M562 HydrophobicContact CD1-SD 4.12Å
488	I	98.2	Very high	97.8	Very high	92 Å²	92	35.9 Å²	35.9	47%	0.472	19%	0.192	S	C	.	.	H	α-helix	trans	-61.2	-42.7	171	-69.1	163.6	0	0	0	111	K484 V485 N486 T491 I492 M562	K484-I488 WeakPolarHBondContact O-CD1 3.49Å; K484-I488 VanDerWaalsContact O-CG1 3.28Å; K484-I488 WeakPolarHBondContact O-CG1 3.43Å; K484-I488 PolarHBondContact O-N 3.01Å; V485-I488 PolarHBondContact O-N 3.22Å; N486-I488 VanDerWaalsContact C-N 3.31Å; N486-I488 PolarHBondContact O-N 2.88Å; I488-T491 VanDerWaalsContact O-CB 3.25Å; I488-T491 WeakPolarHBondContact O-CB 3.46Å; I488-T491 PolarHBondContact O-N 3.43Å; I488-I492 PolarHBondContact O-N 2.82Å; I488-M562 HydrophobicContact CG1-CE 4.43Å
489	L	97.8	Very high	97.8	Very high	59 Å²	59	31.5 Å²	31.5	31%	0.309	18%	0.178	S	C	.	.	H	α-helix	trans	-64.3	-42.3	174.9	-63.8	174.2	0	0	0	112.1	L451 V485 N486 L487 T491 I492 L493	L451-L489 HydrophobicContact CD1-CD1 3.99Å; V485-L489 WeakPolarHBondContact O-CG 3.39Å; V485-L489 PolarHBondContact O-N 3.21Å; V485-L489 VanDerWaalsContact O-N 3.08Å; N486-L489 WeakPolarHBondContact O-CA 3.35Å; N486-L489 WeakPolarHBondContact O-CB 3.47Å; N486-L489 PolarHBondContact O-N 2.9Å; L487-L489 VanDerWaalsContact C-N 3.35Å; L487-L489 PolarHBondContact O-N 3.14Å; L489-T491 PolarHBondContact O-N 3.44Å; L489-I492 WeakPolarHBondContact O-CB 3.24Å; L489-I492 PolarHBondContact O-N 3.4Å; L489-I492 VanDerWaalsContact O-N 3.12Å; L489-L493 PolarHBondContact O-N 3.27Å
490	Q	97.5	Very high	97.8	Very high	13 Å²	13	31.5 Å²	31.5	6%	0.061	18%	0.178	C	C	.	.	H	α-helix	trans	-62.9	-30.2	175.7	-61.2	-55.1	79	0	0	112.6	N486 L487 G494 D555	N486-Q490 WeakPolarHBondContact O-CG 3.42Å; N486-Q490 PolarHBondContact O-N 3.14Å; L487-Q490 PolarHBondContact O-N 2.89Å; Q490-G494 PolarHBondContact O-N 3.2Å; Q490-D555 HydrophobicContact CB-CB 3.82Å; Q490-D555 HydrophobicContact CG-CB 3.95Å; Q490-D555 PolarHBondContact NE2-OD2 3.22Å
491	T	98.3	Very high	97.8	Very high	19 Å²	19	31.5 Å²	31.5	12%	0.117	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-50.3	171.8	-49.4	0	0	0	0	111	L487 I488 L489 L493 V495 V559 M570 T573	L487-T491 PolarHBondContact O-N 2.83Å; L487-T491 PolarHBondContact O-OG1 3.17Å; I488-T491 VanDerWaalsContact O-CB 3.25Å; I488-T491 WeakPolarHBondContact O-CB 3.46Å; I488-T491 PolarHBondContact O-N 3.43Å; L489-T491 PolarHBondContact O-N 3.44Å; T491-L493 VanDerWaalsContact C-N 3.34Å; T491-L493 PolarHBondContact O-N 2.68Å; T491-V495 WeakPolarHBondContact O-CB 3.38Å; T491-V495 VanDerWaalsContact O-CG2 3.31Å; T491-V495 WeakPolarHBondContact O-CG2 3.33Å; T491-V495 PolarHBondContact O-N 3.31Å; T491-V495 VanDerWaalsContact O-N 3.11Å; T491-V559 HydrophobicContact CG2-CG1 4.22Å; T491-V559 VanDerWaalsContact OG1-CG1 3.23Å; T491-V559 WeakPolarHBondContact OG1-CG1 3.43Å; T491-V559 VanDerWaalsContact OG1-CG2 3.24Å; T491-V559 WeakPolarHBondContact OG1-CG2 3.39Å; T491-M570 HydrophobicContact CG2-CE 3.8Å; T491-T573 HydrophobicContact CG2-CG2 4.14Å; T491-T573 WeakPolarHBondContact CG2-OG1 3.45Å
492	I	97.8	Very high	97.8	Very high	103 Å²	103	34 Å²	34	53%	0.528	19%	0.188	S	C	.	.	H	α-helix	trans	-60.8	-46	179	-62.6	167.5	0	0	0	109.8	I488 L489 S496	I488-I492 PolarHBondContact O-N 2.82Å; L489-I492 WeakPolarHBondContact O-CB 3.24Å; L489-I492 PolarHBondContact O-N 3.4Å; L489-I492 VanDerWaalsContact O-N 3.12Å; I492-S496 VanDerWaalsContact O-CB 3.29Å; I492-S496 WeakPolarHBondContact O-CB 3.46Å; I492-S496 PolarHBondContact O-N 3.28Å; I492-S496 PolarHBondContact O-OG 2.61Å
493	L	97	Very high	97.7	Very high	24 Å²	24	36.6 Å²	36.6	13%	0.126	21%	0.209	C	C	.	.	H	α-helix	trans	-60.9	-54.9	179.6	179	57.1	0	0	0	111.8	L489 T491 V495 S496 L497 M530 M552	L489-L493 PolarHBondContact O-N 3.27Å; T491-L493 VanDerWaalsContact C-N 3.34Å; T491-L493 PolarHBondContact O-N 2.68Å; L493-V495 PolarHBondContact O-N 2.92Å; L493-S496 PolarHBondContact O-N 3.44Å; L493-L497 HydrophobicContact CD1-CD1 4.03Å; L493-L497 HydrophobicContact CD1-CG 4.18Å; L493-L497 HydrophobicContact CG-CD1 4.15Å; L493-L497 VanDerWaalsContact O-CG 3.31Å; L493-L497 WeakPolarHBondContact O-CG 3.33Å; L493-L497 PolarHBondContact O-N 3.02Å; L493-M530 HydrophobicContact CD1-CE 3.48Å; L493-M530 VanDerWaalsContact CD1-CE 3.48Å; L493-M530 HydrophobicContact CD1-CG 3.83Å; L493-M530 HydrophobicContact CD1-SD 3.45Å; L493-M530 WeakPolarHBondContact CD1-SD 3.28Å; L493-M552 HydrophobicContact CB-CE 4.15Å; L493-M552 HydrophobicContact CD2-CE 3.54Å; L493-M552 HydrophobicContact CG-CE 3.56Å
494	G	97.8	Very high	97.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-42.9	-176.5	0	0	0	0	0	113.6	Q490 L497 V498 M552 T576	Q490-G494 PolarHBondContact O-N 3.2Å; G494-L497 PolarHBondContact O-N 2.98Å; G494-V498 PolarHBondContact O-N 3.12Å; G494-M552 VanDerWaalsContact CA-SD 3.53Å; G494-T576 WeakPolarHBondContact O-CG2 3.42Å
495	V	98.3	Very high	97.5	Very high	43 Å²	43	32.7 Å²	32.7	26%	0.261	19%	0.193	S	C	.	.	H	α-helix	trans	-64.1	-43.4	176.5	172	0	0	0	0	111.1	T491 L493 L497 V498 G499 V572 T576	T491-V495 WeakPolarHBondContact O-CB 3.38Å; T491-V495 VanDerWaalsContact O-CG2 3.31Å; T491-V495 WeakPolarHBondContact O-CG2 3.33Å; T491-V495 PolarHBondContact O-N 3.31Å; T491-V495 VanDerWaalsContact O-N 3.11Å; L493-V495 PolarHBondContact O-N 2.92Å; V495-L497 VanDerWaalsContact C-N 3.33Å; V495-L497 PolarHBondContact O-N 3.34Å; V495-V498 PolarHBondContact O-N 3.46Å; V495-G499 PolarHBondContact O-N 3.04Å; V495-V572 HydrophobicContact CG1-CG1 3.67Å; V495-V572 HydrophobicContact CG2-CG1 4.1Å; V495-T576 HydrophobicContact CG2-CG2 4.35Å
496	S	97.5	Very high	97.4	Very high	40 Å²	40	34.7 Å²	34.7	28%	0.28	20%	0.202	S	C	.	.	H	α-helix	trans	-65.2	-36.3	179.2	-54.5	0	0	0	0	112.3	I492 L493 L500	I492-S496 VanDerWaalsContact O-CB 3.29Å; I492-S496 WeakPolarHBondContact O-CB 3.46Å; I492-S496 PolarHBondContact O-N 3.28Å; I492-S496 PolarHBondContact O-OG 2.61Å; L493-S496 PolarHBondContact O-N 3.44Å; S496-L500 WeakPolarHBondContact O-CB 3.42Å; S496-L500 PolarHBondContact O-N 3.21Å
497	L	97.1	Very high	97.4	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.5	-43	176.1	-73	173.3	0	0	0	112.6	L493 G494 V495 A501 M530 K534 M552 F580 S593	L493-L497 HydrophobicContact CD1-CD1 4.03Å; L493-L497 HydrophobicContact CD1-CG 4.18Å; L493-L497 HydrophobicContact CG-CD1 4.15Å; L493-L497 VanDerWaalsContact O-CG 3.31Å; L493-L497 WeakPolarHBondContact O-CG 3.33Å; L493-L497 PolarHBondContact O-N 3.02Å; G494-L497 PolarHBondContact O-N 2.98Å; V495-L497 VanDerWaalsContact C-N 3.33Å; V495-L497 PolarHBondContact O-N 3.34Å; L497-A501 VanDerWaalsContact O-CB 3.26Å; L497-A501 WeakPolarHBondContact O-CB 3.16Å; L497-A501 PolarHBondContact O-N 3.48Å; L497-M530 HydrophobicContact CD2-SD 4.09Å; L497-K534 HydrophobicContact CD2-CB 3.79Å; L497-K534 HydrophobicContact CD2-CD 3.86Å; L497-K534 HydrophobicContact CD2-CG 3.63Å; L497-M552 HydrophobicContact CD1-CE 4.32Å; L497-F580 HydrophobicContact CB-CZ 4.34Å; L497-F580 HydrophobicContact CD1-CZ 4.41Å; L497-S593 WeakPolarHBondContact CD1-OG 3.2Å
498	V	97.8	Very high	97.2	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-67.5	-43.3	176.9	170	0	0	0	0	111.1	G494 V495 L500 A501 E502 T576 V579 F580 V596	G494-V498 PolarHBondContact O-N 3.12Å; V495-V498 PolarHBondContact O-N 3.46Å; V498-L500 VanDerWaalsContact C-N 3.34Å; V498-L500 PolarHBondContact O-N 3.16Å; V498-A501 PolarHBondContact O-N 2.82Å; V498-E502 HydrophobicContact CG1-CG 4.35Å; V498-E502 WeakPolarHBondContact O-CG 3.16Å; V498-E502 PolarHBondContact O-N 3.3Å; V498-T576 HydrophobicContact CB-CG2 4.24Å; V498-T576 HydrophobicContact CG2-CG2 3.71Å; V498-V579 HydrophobicContact CG1-CG1 4.41Å; V498-V579 HydrophobicContact CG1-CG2 4.42Å; V498-V579 HydrophobicContact CG2-CB 4.35Å; V498-V579 HydrophobicContact CG2-CG1 4.24Å; V498-F580 HydrophobicContact CG2-CD2 4.1Å; V498-F580 HydrophobicContact CG2-CE2 3.65Å; V498-F580 HydrophobicContact CG2-CZ 4.29Å; V498-V596 HydrophobicContact CG2-CG2 3.9Å
499	G	97.1	Very high	97	Very high	39 Å²	39	40.5 Å²	40.5	40%	0.402	22%	0.222	S	C	.	.	H	α-helix	trans	-60.1	-41.5	175.9	0	0	0	0	0	113.2	V495 A503	V495-G499 PolarHBondContact O-N 3.04Å; G499-A503 WeakPolarHBondContact O-CB 3.47Å; G499-A503 PolarHBondContact O-N 3.2Å
500	L	96.9	Very high	97	Very high	23 Å²	23	44.3 Å²	44.3	12%	0.12	24%	0.236	C	C	.	.	H	α-helix	trans	-63.8	-45.4	173.2	178.9	65.4	0	0	0	111.8	S496 V498 E502 A503 L504 L531 K534 M538	S496-L500 WeakPolarHBondContact O-CB 3.42Å; S496-L500 PolarHBondContact O-N 3.21Å; V498-L500 VanDerWaalsContact C-N 3.34Å; V498-L500 PolarHBondContact O-N 3.16Å; L500-E502 PolarHBondContact O-N 2.71Å; L500-A503 PolarHBondContact O-N 2.76Å; L500-L504 HydrophobicContact CD1-CD1 3.99Å; L500-L504 HydrophobicContact CD1-CG 4.11Å; L500-L504 HydrophobicContact CG-CD1 4.04Å; L500-L504 HydrophobicContact CG-CG 4.46Å; L500-L504 WeakPolarHBondContact O-CG 3.32Å; L500-L504 PolarHBondContact O-N 2.88Å; L500-L531 HydrophobicContact CB-CD2 4.27Å; L500-L531 HydrophobicContact CD2-CB 4.18Å; L500-L531 HydrophobicContact CD2-CD2 3.93Å; L500-L531 WeakPolarHBondContact CD2-O 3.31Å; L500-K534 HydrophobicContact CD2-CB 4.3Å; L500-M538 HydrophobicContact CD2-CE 4.42Å; L500-M538 HydrophobicContact CD2-SD 4.19Å; L500-M538 HydrophobicContact CG-SD 4.18Å
501	A	97.5	Very high	96.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.8	-41.7	179.5	0	0	0	0	0	112.8	L497 V498 A505 M538 V596 F597	L497-A501 VanDerWaalsContact O-CB 3.26Å; L497-A501 WeakPolarHBondContact O-CB 3.16Å; L497-A501 PolarHBondContact O-N 3.48Å; V498-A501 PolarHBondContact O-N 2.82Å; A501-A505 WeakPolarHBondContact O-CB 3.46Å; A501-A505 PolarHBondContact O-N 3.4Å; A501-M538 HydrophobicContact CB-CE 4.01Å; A501-M538 HydrophobicContact CB-SD 4.29Å; A501-V596 HydrophobicContact CB-CG1 3.84Å; A501-F597 HydrophobicContact CB-CB 4.17Å
502	E	97	Very high	96.8	Very high	108 Å²	108	52.1 Å²	52.1	51%	0.505	29%	0.286	S	S	.	.	H	α-helix	trans	-66.4	-43.1	174.5	-71.6	-179.3	163.5	0	0	112	V498 L500 A505 L506	V498-E502 HydrophobicContact CG1-CG 4.35Å; V498-E502 WeakPolarHBondContact O-CG 3.16Å; V498-E502 PolarHBondContact O-N 3.3Å; L500-E502 PolarHBondContact O-N 2.71Å; E502-A505 PolarHBondContact O-N 3.5Å; E502-L506 WeakPolarHBondContact O-CB 3.35Å; E502-L506 PolarHBondContact O-N 3.4Å
503	A	96.4	Very high	96.7	Very high	55 Å²	55	49.4 Å²	49.4	46%	0.455	28%	0.276	S	S	.	.	H	α-helix	trans	-63.6	-43.6	177.8	0	0	0	0	0	112.7	G499 L500 L506 A507	G499-A503 WeakPolarHBondContact O-CB 3.47Å; G499-A503 PolarHBondContact O-N 3.2Å; L500-A503 PolarHBondContact O-N 2.76Å; A503-L506 PolarHBondContact O-N 3Å; A503-A507 PolarHBondContact O-N 2.82Å
504	L	97	Very high	96.7	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-69.3	-35.9	175.5	-67.7	178.2	0	0	0	111.9	L500 L506 A507 D508 L514 I517 I518 M538 F597	L500-L504 HydrophobicContact CD1-CD1 3.99Å; L500-L504 HydrophobicContact CD1-CG 4.11Å; L500-L504 HydrophobicContact CG-CD1 4.04Å; L500-L504 HydrophobicContact CG-CG 4.46Å; L500-L504 WeakPolarHBondContact O-CG 3.32Å; L500-L504 PolarHBondContact O-N 2.88Å; L504-L506 VanDerWaalsContact C-N 3.32Å; L504-L506 PolarHBondContact O-N 3.05Å; L504-A507 PolarHBondContact O-N 3.49Å; L504-D508 PolarHBondContact O-N 3.11Å; L504-L514 HydrophobicContact CB-CD2 4.29Å; L504-L514 HydrophobicContact CD2-CD2 4.25Å; L504-L514 VanDerWaalsContact O-CD2 3.22Å; L504-L514 WeakPolarHBondContact O-CD2 3.48Å; L504-I517 HydrophobicContact CD2-CB 4.38Å; L504-I517 HydrophobicContact CD2-CG2 3.82Å; L504-I518 HydrophobicContact CD2-CG1 4.4Å; L504-M538 HydrophobicContact CD1-CB 4.06Å; L504-M538 HydrophobicContact CD1-SD 3.87Å; L504-F597 HydrophobicContact CB-CD2 4.19Å; L504-F597 HydrophobicContact CB-CE2 3.82Å
505	A	96.5	Very high	96.7	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.033	30%	0.299	C	S	.	.	H	α-helix	trans	-66.3	-36.7	175.5	0	0	0	0	0	111.6	A501 E502 D508 R509 F597 S600	A501-A505 WeakPolarHBondContact O-CB 3.46Å; A501-A505 PolarHBondContact O-N 3.4Å; E502-A505 PolarHBondContact O-N 3.5Å; A505-D508 PolarHBondContact O-N 3.29Å; A505-R509 VanDerWaalsContact O-CG 3.29Å; A505-R509 WeakPolarHBondContact O-CG 3.21Å; A505-R509 PolarHBondContact O-N 3.49Å; A505-F597 HydrophobicContact CB-CD2 4.44Å; A505-F597 HydrophobicContact CB-CE2 4.13Å; A505-S600 WeakPolarHBondContact CB-O 3.16Å
506	L	96.5	Very high	96.6	Very high	98 Å²	98	55.9 Å²	55.9	51%	0.513	31%	0.31	S	S	.	.	H	α-helix	trans	-65.3	-40.2	172.9	-177.3	61.1	0	0	0	112	E502 A503 L504 R509 F510	E502-L506 WeakPolarHBondContact O-CB 3.35Å; E502-L506 PolarHBondContact O-N 3.4Å; A503-L506 PolarHBondContact O-N 3Å; L504-L506 VanDerWaalsContact C-N 3.32Å; L504-L506 PolarHBondContact O-N 3.05Å; L506-R509 PolarHBondContact O-N 3.03Å; L506-F510 HydrophobicContact CD1-CD2 4.06Å; L506-F510 HydrophobicContact CD1-CE2 3.5Å; L506-F510 VanDerWaalsContact CD1-CE2 3.5Å; L506-F510 HydrophobicContact CD1-CZ 3.97Å; L506-F510 HydrophobicContact CD2-CE2 4.12Å; L506-F510 HydrophobicContact CG-CD2 3.96Å; L506-F510 HydrophobicContact CG-CE2 3.59Å; L506-F510 VanDerWaalsContact O-CD2 3.27Å; L506-F510 WeakPolarHBondContact O-CD2 3.38Å; L506-F510 PolarHBondContact O-N 3.26Å
507	A	96.3	Very high	96.6	Very high	7 Å²	7	56.9 Å²	56.9	6%	0.058	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-43.9	174	0	0	0	0	0	112.3	A503 L504 R509 F510 S511 I512 L514 I517	A503-A507 PolarHBondContact O-N 2.82Å; L504-A507 PolarHBondContact O-N 3.49Å; A507-R509 VanDerWaalsContact C-N 3.32Å; A507-R509 PolarHBondContact O-N 2.94Å; A507-F510 CarbonylContact O-C 3.53Å; A507-F510 PolarHBondContact O-N 3.48Å; A507-F510 VanDerWaalsContact O-N 3.13Å; A507-S511 PolarHBondContact O-N 3.12Å; A507-I512 HydrophobicContact CB-CB 4.32Å; A507-I512 PolarHBondContact O-N 3.48Å; A507-L514 HydrophobicContact CB-CD2 3.76Å; A507-I517 HydrophobicContact CB-CG1 4.07Å
508	D	94.9	Very high	96.5	Very high	45 Å²	45	57.1 Å²	57.1	24%	0.241	31%	0.313	C	S	.	.	H	α-helix	trans	-58.9	-41.8	173.5	-176	69.9	0	0	0	111.4	L504 A505 F510 S511 L514 R601	L504-D508 PolarHBondContact O-N 3.11Å; A505-D508 PolarHBondContact O-N 3.29Å; D508-F510 VanDerWaalsContact C-N 3.32Å; D508-F510 PolarHBondContact O-N 3.26Å; D508-S511 PolarHBondContact O-N 3.31Å; D508-L514 HydrophobicContact CB-CD2 4.27Å; D508-R601 VanDerWaalsContact CG-NH2 3.28Å; D508-R601 IonicContact OD1-CZ 3.28Å; D508-R601 IonicContact OD1-NE 2.72Å; D508-R601 IonicContact OD1-NH2 3.96Å; D508-R601 PolarHBondContact OD1-NH2 3.35Å; D508-R601 IonicContact OD2-CZ 3.99Å; D508-R601 VanDerWaalsContact OD2-CZ 3.28Å; D508-R601 IonicContact OD2-NE 2.62Å; D508-R601 PolarHBondContact OD2-NE 3.08Å; D508-R601 IonicContact OD2-NH2 2.77Å; D508-R601 PolarHBondContact OD2-NH2 3.34Å
509	R	95	Very high	96.5	Very high	162 Å²	162	61.4 Å²	61.4	61%	0.611	34%	0.335	S	S	*	.	H	α-helix	trans	-65.4	-30.4	175.4	-69.4	-67.2	-176.5	147	4.2	113.7	A505 L506 A507 S511 R601	A505-R509 VanDerWaalsContact O-CG 3.29Å; A505-R509 WeakPolarHBondContact O-CG 3.21Å; A505-R509 PolarHBondContact O-N 3.49Å; L506-R509 PolarHBondContact O-N 3.03Å; A507-R509 VanDerWaalsContact C-N 3.32Å; A507-R509 PolarHBondContact O-N 2.94Å; R509-S511 VanDerWaalsContact C-N 3.26Å; R509-R601 PolarHBondContact NE-O 3.24Å; R509-R601 PolarHBondContact NH2-O 3.1Å
510	F	96.2	Very high	96.5	Very high	139 Å²	139	64.6 Å²	64.6	61%	0.61	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	3.1	171.1	-70.3	-51.5	0	0	0	113.8	L506 A507 D508 I512	L506-F510 HydrophobicContact CD1-CD2 4.06Å; L506-F510 HydrophobicContact CD1-CE2 3.5Å; L506-F510 VanDerWaalsContact CD1-CE2 3.5Å; L506-F510 HydrophobicContact CD1-CZ 3.97Å; L506-F510 HydrophobicContact CD2-CE2 4.12Å; L506-F510 HydrophobicContact CG-CD2 3.96Å; L506-F510 HydrophobicContact CG-CE2 3.59Å; L506-F510 VanDerWaalsContact O-CD2 3.27Å; L506-F510 WeakPolarHBondContact O-CD2 3.38Å; L506-F510 PolarHBondContact O-N 3.26Å; A507-F510 CarbonylContact O-C 3.53Å; A507-F510 PolarHBondContact O-N 3.48Å; A507-F510 VanDerWaalsContact O-N 3.13Å; D508-F510 VanDerWaalsContact C-N 3.32Å; D508-F510 PolarHBondContact O-N 3.26Å; F510-I512 HydrophobicContact CB-CD1 3.79Å; F510-I512 HydrophobicContact CB-CG1 3.85Å; F510-I512 PolarHBondContact O-N 3.05Å
511	S	95.1	Very high	96.5	Very high	116 Å²	116	65.1 Å²	65.1	81%	0.811	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	30.2	-172.2	-48.3	0	0	0	0	113.9	A507 D508 R509	A507-S511 PolarHBondContact O-N 3.12Å; D508-S511 PolarHBondContact O-N 3.31Å; R509-S511 VanDerWaalsContact C-N 3.26Å
512	I	96.7	Very high	96.5	Very high	80 Å²	80	67.7 Å²	67.7	41%	0.41	36%	0.357	S	S	.	.			trans	-88.8	136.7	175.7	-58.9	172.5	0	0	0	108.9	A507 F510 L514 I517	A507-I512 HydrophobicContact CB-CB 4.32Å; A507-I512 PolarHBondContact O-N 3.48Å; F510-I512 HydrophobicContact CB-CD1 3.79Å; F510-I512 HydrophobicContact CB-CG1 3.85Å; F510-I512 PolarHBondContact O-N 3.05Å; I512-L514 PolarHBondContact O-N 2.87Å; I512-I517 HydrophobicContact CG2-CD1 3.95Å; I512-I517 HydrophobicContact CG2-CG1 3.87Å
513	S	96.9	Very high	96.5	Very high	46 Å²	46	70 Å²	70	32%	0.322	37%	0.372	S	S	.	.			trans	-58.6	121	176.3	171.4	0	0	0	0	111.2	N515 D516 I517	S513-N515 VanDerWaalsContact C-N 3.26Å; S513-N515 PolarHBondContact O-N 2.97Å; S513-N515 PolarHBondContact OG-N 3.27Å; S513-D516 WeakPolarHBondContact CB-OD1 3.44Å; S513-D516 PolarHBondContact O-N 2.95Å; S513-D516 VanDerWaalsContact OG-CG 3.26Å; S513-D516 PolarHBondContact OG-N 3.31Å; S513-D516 PolarHBondContact OG-OD1 3.36Å; S513-I517 PolarHBondContact O-N 3.44Å
514	L	96.7	Very high	96.5	Very high	22 Å²	22	69.2 Å²	69.2	12%	0.115	36%	0.362	C	S	.	.	H	α-helix	trans	-65	-32.4	177.6	-56.4	-174.1	0	0	0	111.9	L504 A507 D508 I512 I517 I518 A539 F597	L504-L514 HydrophobicContact CB-CD2 4.29Å; L504-L514 HydrophobicContact CD2-CD2 4.25Å; L504-L514 VanDerWaalsContact O-CD2 3.22Å; L504-L514 WeakPolarHBondContact O-CD2 3.48Å; A507-L514 HydrophobicContact CB-CD2 3.76Å; D508-L514 HydrophobicContact CB-CD2 4.27Å; I512-L514 PolarHBondContact O-N 2.87Å; L514-I517 PolarHBondContact O-N 2.81Å; L514-I518 VanDerWaalsContact O-CD1 3.3Å; L514-I518 WeakPolarHBondContact O-CD1 3.31Å; L514-I518 WeakPolarHBondContact O-CG1 3.46Å; L514-I518 PolarHBondContact O-N 3.1Å; L514-A539 HydrophobicContact CB-CB 3.83Å; L514-A539 HydrophobicContact CD1-CB 4.39Å; L514-F597 HydrophobicContact CD1-CZ 3.89Å
515	N	96.8	Very high	96.5	Very high	90 Å²	90	75.3 Å²	75.3	48%	0.481	41%	0.405	S	S	.	.	H	α-helix	trans	-65.3	-42.9	175.8	-64.8	-49.6	0	0	0	110.9	S513 I517 I518 D519	S513-N515 VanDerWaalsContact C-N 3.26Å; S513-N515 PolarHBondContact O-N 2.97Å; S513-N515 PolarHBondContact OG-N 3.27Å; N515-I517 VanDerWaalsContact C-N 3.31Å; N515-I517 PolarHBondContact O-N 3.45Å; N515-I518 PolarHBondContact O-N 2.91Å; N515-I518 VanDerWaalsContact O-N 3.11Å; N515-D519 WeakPolarHBondContact O-CB 3.48Å; N515-D519 PolarHBondContact O-N 3.19Å
516	D	96.8	Very high	96.3	Very high	92 Å²	92	81.5 Å²	81.5	49%	0.492	43%	0.434	S	S	.	.	H	α-helix	trans	-63	-39.9	178.5	-57.8	24.2	0	0	0	110.7	S513 D519 I520	S513-D516 WeakPolarHBondContact CB-OD1 3.44Å; S513-D516 PolarHBondContact O-N 2.95Å; S513-D516 VanDerWaalsContact OG-CG 3.26Å; S513-D516 PolarHBondContact OG-N 3.31Å; S513-D516 PolarHBondContact OG-OD1 3.36Å; D516-D519 PolarHBondContact O-N 2.95Å; D516-I520 WeakPolarHBondContact O-CB 3.21Å; D516-I520 WeakPolarHBondContact O-CD1 3.13Å; D516-I520 WeakPolarHBondContact O-CG1 3.32Å; D516-I520 PolarHBondContact O-N 2.9Å
517	I	96.9	Very high	96.1	Very high	60 Å²	60	81.8 Å²	81.8	31%	0.308	43%	0.432	S	S	.	.	H	α-helix	trans	-62.9	-41.6	173.6	-66.1	-65	0	0	0	111.5	L504 A507 I512 S513 L514 N515 F521	L504-I517 HydrophobicContact CD2-CB 4.38Å; L504-I517 HydrophobicContact CD2-CG2 3.82Å; A507-I517 HydrophobicContact CB-CG1 4.07Å; I512-I517 HydrophobicContact CG2-CD1 3.95Å; I512-I517 HydrophobicContact CG2-CG1 3.87Å; S513-I517 PolarHBondContact O-N 3.44Å; L514-I517 PolarHBondContact O-N 2.81Å; N515-I517 VanDerWaalsContact C-N 3.31Å; N515-I517 PolarHBondContact O-N 3.45Å; I517-F521 VanDerWaalsContact O-CB 3.24Å; I517-F521 WeakPolarHBondContact O-CB 3.4Å; I517-F521 PolarHBondContact O-N 2.87Å
518	I	96.7	Very high	96.1	Very high	6 Å²	6	83.1 Å²	83.1	3%	0.031	44%	0.44	C	S	.	.	H	α-helix	trans	-67.9	-42.1	178.4	-70.6	160.1	0	0	0	111.5	L504 L514 N515 F521 D522 L532 G535 K536 A539	L504-I518 HydrophobicContact CD2-CG1 4.4Å; L514-I518 VanDerWaalsContact O-CD1 3.3Å; L514-I518 WeakPolarHBondContact O-CD1 3.31Å; L514-I518 WeakPolarHBondContact O-CG1 3.46Å; L514-I518 PolarHBondContact O-N 3.1Å; N515-I518 PolarHBondContact O-N 2.91Å; N515-I518 VanDerWaalsContact O-N 3.11Å; I518-F521 WeakPolarHBondContact O-CB 2.96Å; I518-F521 PolarHBondContact O-N 3.15Å; I518-D522 PolarHBondContact O-N 3.01Å; I518-L532 HydrophobicContact CG2-CD2 4.22Å; I518-G535 VanDerWaalsContact CD1-O 3.22Å; I518-G535 WeakPolarHBondContact CD1-O 3.42Å; I518-K536 HydrophobicContact CG2-CG 3.96Å; I518-A539 HydrophobicContact CD1-CB 3.63Å
519	D	96.8	Very high	96	Very high	97 Å²	97	86.3 Å²	86.3	52%	0.519	46%	0.463	S	S	.	.	H	α-helix	trans	-66.8	-40.8	178.1	-73.6	-12.7	0	0	0	110.9	N515 D516 F521 D522	N515-D519 WeakPolarHBondContact O-CB 3.48Å; N515-D519 PolarHBondContact O-N 3.19Å; D516-D519 PolarHBondContact O-N 2.95Å; D519-F521 VanDerWaalsContact C-N 3.34Å; D519-D522 PolarHBondContact O-N 3.48Å
520	I	97.1	Very high	96	Very high	105 Å²	105	81.3 Å²	81.3	54%	0.538	45%	0.448	S	S	.	.	H	α-helix	trans	-62.1	-42.9	170.3	-69.6	165.3	0	0	0	110.5	D516 D522 L523 T524	D516-I520 WeakPolarHBondContact O-CB 3.21Å; D516-I520 WeakPolarHBondContact O-CD1 3.13Å; D516-I520 WeakPolarHBondContact O-CG1 3.32Å; D516-I520 PolarHBondContact O-N 2.9Å; I520-D522 VanDerWaalsContact C-N 3.35Å; I520-D522 PolarHBondContact O-N 3.05Å; I520-L523 WeakPolarHBondContact O-CB 3.46Å; I520-L523 PolarHBondContact O-N 3.5Å; I520-T524 PolarHBondContact O-N 2.99Å
521	F	96	Very high	96	Very high	34 Å²	34	75.9 Å²	75.9	15%	0.149	43%	0.425	C	S	.	.	H	α-helix	trans	-62.1	-37.5	-179.4	178.7	-119	0	0	0	112.7	I517 I518 D519 L523 T524 M526 L531 L532	I517-F521 VanDerWaalsContact O-CB 3.24Å; I517-F521 WeakPolarHBondContact O-CB 3.4Å; I517-F521 PolarHBondContact O-N 2.87Å; I518-F521 WeakPolarHBondContact O-CB 2.96Å; I518-F521 PolarHBondContact O-N 3.15Å; D519-F521 VanDerWaalsContact C-N 3.34Å; F521-L523 PolarHBondContact O-N 3.03Å; F521-T524 WeakPolarHBondContact O-CB 3.3Å; F521-T524 PolarHBondContact O-N 3.49Å; F521-T524 PolarHBondContact O-OG1 3.47Å; F521-M526 HydrophobicContact CE2-CB 3.78Å; F521-M526 WeakPolarHBondContact CZ-O 3.21Å; F521-L531 HydrophobicContact CE1-CB 3.76Å; F521-L531 HydrophobicContact CZ-CB 4.07Å; F521-L531 HydrophobicContact CZ-CD1 4.04Å; F521-L532 HydrophobicContact CD1-CD2 3.65Å; F521-L532 HydrophobicContact CD1-CG 4.2Å; F521-L532 HydrophobicContact CE1-CD2 4.22Å; F521-L532 HydrophobicContact CE1-CG 4.27Å
522	D	97.3	Very high	96	Very high	55 Å²	55	71.1 Å²	71.1	29%	0.294	39%	0.39	S	S	.	.	H	α-helix	trans	-66.2	-15.4	173.6	-164.7	15.8	0	0	0	113.6	I518 D519 I520 K527 L532	I518-D522 PolarHBondContact O-N 3.01Å; D519-D522 PolarHBondContact O-N 3.48Å; I520-D522 VanDerWaalsContact C-N 3.35Å; I520-D522 PolarHBondContact O-N 3.05Å; D522-K527 WeakPolarHBondContact O-CD 3.45Å; D522-K527 WeakPolarHBondContact O-CE 3.4Å; D522-K527 PolarHBondContact O-NZ 3.23Å; D522-K527 WeakPolarHBondContact OD1-CD 3.5Å; D522-K527 IonicContact OD1-NZ 3.16Å; D522-K527 PolarHBondContact OD1-NZ 2.92Å; D522-L532 HydrophobicContact CB-CD1 4.09Å; D522-L532 HydrophobicContact CB-CD2 3.7Å; D522-L532 VanDerWaalsContact OD1-CD1 3.31Å; D522-L532 WeakPolarHBondContact OD1-CD1 3.47Å
523	L	97.7	Very high	96	Very high	155 Å²	155	69.5 Å²	69.5	81%	0.812	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-11.1	172.4	-58.2	176.3	0	0	0	112.9	I520 F521	I520-L523 WeakPolarHBondContact O-CB 3.46Å; I520-L523 PolarHBondContact O-N 3.5Å; F521-L523 PolarHBondContact O-N 3.03Å
524	T	96.3	Very high	95.9	Very high	39 Å²	39	68.2 Å²	68.2	24%	0.239	38%	0.377	C	S	.	.	S	Bend	trans	-84.9	159.3	-179.8	73.1	0	0	0	0	113.2	I520 F521 M526 K527	I520-T524 PolarHBondContact O-N 2.99Å; F521-T524 WeakPolarHBondContact O-CB 3.3Å; F521-T524 PolarHBondContact O-N 3.49Å; F521-T524 PolarHBondContact O-OG1 3.47Å; T524-M526 HydrophobicContact CG2-CE 3.99Å; T524-M526 PolarHBondContact O-N 3.3Å; T524-M526 PolarHBondContact OG1-N 3.18Å; T524-K527 WeakPolarHBondContact O-CB 3.22Å; T524-K527 WeakPolarHBondContact O-CD 3.45Å; T524-K527 WeakPolarHBondContact O-CG 3.33Å; T524-K527 PolarHBondContact O-N 2.94Å
525	S	96.4	Very high	95.9	Very high	130 Å²	130	67.2 Å²	67.2	91%	0.909	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-11.4	168.4	53.4	0	0	0	0	114.1	K527	S525-K527 VanDerWaalsContact C-N 3.26Å
526	M	92.5	Very high	95.9	Very high	134 Å²	134	67.2 Å²	67.2	66%	0.66	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-6	177.9	-57.4	179.2	-66.1	0	0	112.6	F521 T524 S528	F521-M526 HydrophobicContact CE2-CB 3.78Å; F521-M526 WeakPolarHBondContact CZ-O 3.21Å; T524-M526 HydrophobicContact CG2-CE 3.99Å; T524-M526 PolarHBondContact O-N 3.3Å; T524-M526 PolarHBondContact OG1-N 3.18Å; M526-S528 PolarHBondContact O-N 2.82Å
527	K	93.7	Very high	95.9	Very high	104 Å²	104	64.4 Å²	64.4	45%	0.452	35%	0.352	S	S	.	.			trans	-63.1	137.6	-172.5	77.9	-171.2	-157.5	158	0	112.5	D522 T524 S525 L532	D522-K527 WeakPolarHBondContact O-CD 3.45Å; D522-K527 WeakPolarHBondContact O-CE 3.4Å; D522-K527 PolarHBondContact O-NZ 3.23Å; D522-K527 WeakPolarHBondContact OD1-CD 3.5Å; D522-K527 IonicContact OD1-NZ 3.16Å; D522-K527 PolarHBondContact OD1-NZ 2.92Å; T524-K527 WeakPolarHBondContact O-CB 3.22Å; T524-K527 WeakPolarHBondContact O-CD 3.45Å; T524-K527 WeakPolarHBondContact O-CG 3.33Å; T524-K527 PolarHBondContact O-N 2.94Å; S525-K527 VanDerWaalsContact C-N 3.26Å; K527-L532 HydrophobicContact CB-CD1 4.26Å
528	S	95	Very high	95.8	Very high	35 Å²	35	61.6 Å²	61.6	25%	0.245	34%	0.338	C	S	.	.			trans	-131.1	132.4	173.3	168.2	0	0	0	0	107.9	M526 M530 L531 L532	M526-S528 PolarHBondContact O-N 2.82Å; S528-M530 PolarHBondContact O-N 3.25Å; S528-M530 PolarHBondContact OG-N 2.96Å; S528-L531 PolarHBondContact O-N 3.11Å; S528-L532 WeakPolarHBondContact O-CG 3.47Å; S528-L532 PolarHBondContact O-N 2.87Å
529	P	94.1	Very high	95.8	Very high	111 Å²	111	62.7 Å²	62.7	72%	0.721	35%	0.348	S	S	*	.	H	α-helix	trans	-53	-37.7	176.2	-27.4	35.4	0	0	0	112.6	L532 A533	P529-L532 PolarHBondContact O-N 3.42Å; P529-A533 WeakPolarHBondContact O-CB 3.48Å; P529-A533 PolarHBondContact O-N 2.83Å
530	M	93.7	Very high	95.7	Very high	58 Å²	58	65.8 Å²	65.8	29%	0.286	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-49.6	175	175.1	-81.9	-68.3	0	0	111.7	L493 L497 S528 L532 A533 K534	L493-M530 HydrophobicContact CD1-CE 3.48Å; L493-M530 VanDerWaalsContact CD1-CE 3.48Å; L493-M530 HydrophobicContact CD1-CG 3.83Å; L493-M530 HydrophobicContact CD1-SD 3.45Å; L493-M530 WeakPolarHBondContact CD1-SD 3.28Å; L497-M530 HydrophobicContact CD2-SD 4.09Å; S528-M530 PolarHBondContact O-N 3.25Å; S528-M530 PolarHBondContact OG-N 2.96Å; M530-L532 VanDerWaalsContact C-N 3.32Å; M530-L532 PolarHBondContact O-N 3.19Å; M530-A533 PolarHBondContact O-N 3.05Å; M530-K534 HydrophobicContact CG-CG 4.47Å; M530-K534 WeakPolarHBondContact O-CB 3.25Å; M530-K534 WeakPolarHBondContact O-CG 3.47Å; M530-K534 PolarHBondContact O-N 3.37Å; M530-K534 HydrophobicContact SD-CG 4.15Å
531	L	95.8	Very high	95.5	Very high	24 Å²	24	62.9 Å²	62.9	13%	0.126	35%	0.352	C	S	.	.	H	α-helix	trans	-68.4	-31.4	179.9	-66.5	176.5	0	0	0	112.4	L500 F521 S528 G535	L500-L531 HydrophobicContact CB-CD2 4.27Å; L500-L531 HydrophobicContact CD2-CB 4.18Å; L500-L531 HydrophobicContact CD2-CD2 3.93Å; L500-L531 WeakPolarHBondContact CD2-O 3.31Å; F521-L531 HydrophobicContact CE1-CB 3.76Å; F521-L531 HydrophobicContact CZ-CB 4.07Å; F521-L531 HydrophobicContact CZ-CD1 4.04Å; S528-L531 PolarHBondContact O-N 3.11Å; L531-G535 PolarHBondContact O-N 3.27Å
532	L	96.5	Very high	95.3	Very high	16 Å²	16	64.5 Å²	64.5	8%	0.084	36%	0.363	C	S	.	.	H	α-helix	trans	-68.6	-42.1	173.9	-73.8	168	0	0	0	112.2	I518 F521 D522 K527 S528 P529 M530 K536	I518-L532 HydrophobicContact CG2-CD2 4.22Å; F521-L532 HydrophobicContact CD1-CD2 3.65Å; F521-L532 HydrophobicContact CD1-CG 4.2Å; F521-L532 HydrophobicContact CE1-CD2 4.22Å; F521-L532 HydrophobicContact CE1-CG 4.27Å; D522-L532 HydrophobicContact CB-CD1 4.09Å; D522-L532 HydrophobicContact CB-CD2 3.7Å; D522-L532 VanDerWaalsContact OD1-CD1 3.31Å; D522-L532 WeakPolarHBondContact OD1-CD1 3.47Å; K527-L532 HydrophobicContact CB-CD1 4.26Å; S528-L532 WeakPolarHBondContact O-CG 3.47Å; S528-L532 PolarHBondContact O-N 2.87Å; P529-L532 PolarHBondContact O-N 3.42Å; M530-L532 VanDerWaalsContact C-N 3.32Å; M530-L532 PolarHBondContact O-N 3.19Å; L532-K536 WeakPolarHBondContact O-CB 3.19Å; L532-K536 WeakPolarHBondContact O-CD 3.24Å; L532-K536 VanDerWaalsContact O-CG 3.23Å; L532-K536 WeakPolarHBondContact O-CG 3.17Å; L532-K536 PolarHBondContact O-N 3.09Å; L532-K536 VanDerWaalsContact O-N 3.13Å
533	A	95.2	Very high	95.2	Very high	47 Å²	47	63 Å²	63	39%	0.388	35%	0.354	S	S	.	.	H	α-helix	trans	-62	-50.7	173.3	0	0	0	0	0	110.8	P529 M530 G535 K536 E537	P529-A533 WeakPolarHBondContact O-CB 3.48Å; P529-A533 PolarHBondContact O-N 2.83Å; M530-A533 PolarHBondContact O-N 3.05Å; A533-G535 PolarHBondContact O-N 3.03Å; A533-K536 WeakPolarHBondContact O-CB 3.31Å; A533-K536 PolarHBondContact O-N 2.92Å; A533-K536 VanDerWaalsContact O-N 3.11Å; A533-E537 WeakPolarHBondContact O-CG 3.39Å; A533-E537 PolarHBondContact O-N 3.16Å
534	K	96.4	Very high	94.9	Very high	18 Å²	18	58.9 Å²	58.9	8%	0.078	33%	0.332	C	S	.	.	H	α-helix	trans	-64.7	-37.1	-178.5	-64.4	-78	159.6	-135.1	0	112.5	L497 L500 M530 E537 M538 D592	L497-K534 HydrophobicContact CD2-CB 3.79Å; L497-K534 HydrophobicContact CD2-CD 3.86Å; L497-K534 HydrophobicContact CD2-CG 3.63Å; L500-K534 HydrophobicContact CD2-CB 4.3Å; M530-K534 HydrophobicContact CG-CG 4.47Å; M530-K534 WeakPolarHBondContact O-CB 3.25Å; M530-K534 WeakPolarHBondContact O-CG 3.47Å; M530-K534 PolarHBondContact O-N 3.37Å; M530-K534 HydrophobicContact SD-CG 4.15Å; K534-E537 WeakPolarHBondContact CD-OE2 3.27Å; K534-E537 IonicContact NZ-OE1 3.83Å; K534-E537 PolarHBondContact NZ-OE1 3.19Å; K534-E537 IonicContact NZ-OE2 3.66Å; K534-E537 PolarHBondContact NZ-OE2 2.9Å; K534-E537 WeakPolarHBondContact O-CB 3.35Å; K534-E537 PolarHBondContact O-N 3.02Å; K534-M538 WeakPolarHBondContact O-CG 3.36Å; K534-M538 PolarHBondContact O-N 3.42Å; K534-D592 WeakPolarHBondContact CE-OD2 3.29Å; K534-D592 IonicContact NZ-OD1 2.77Å; K534-D592 PolarHBondContact NZ-OD1 2.64Å; K534-D592 IonicContact NZ-OD2 3Å; K534-D592 PolarHBondContact NZ-OD2 3.41Å
535	G	96.8	Very high	94.8	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-42.4	171.9	0	0	0	0	0	112.3	I518 L531 A533 M538 A539	I518-G535 VanDerWaalsContact CD1-O 3.22Å; I518-G535 WeakPolarHBondContact CD1-O 3.42Å; L531-G535 PolarHBondContact O-N 3.27Å; A533-G535 PolarHBondContact O-N 3.03Å; G535-M538 PolarHBondContact O-N 3.34Å; G535-A539 WeakPolarHBondContact O-CB 3.31Å; G535-A539 PolarHBondContact O-N 3.02Å
536	K	96.5	Very high	94.6	Very high	91 Å²	91	53.2 Å²	53.2	40%	0.396	29%	0.29	S	S	.	.	H	α-helix	trans	-66.6	-35.5	177.1	-71.4	170.2	-176	179.3	0	112.5	I518 L532 A533 K540	I518-K536 HydrophobicContact CG2-CG 3.96Å; L532-K536 WeakPolarHBondContact O-CB 3.19Å; L532-K536 WeakPolarHBondContact O-CD 3.24Å; L532-K536 VanDerWaalsContact O-CG 3.23Å; L532-K536 WeakPolarHBondContact O-CG 3.17Å; L532-K536 PolarHBondContact O-N 3.09Å; L532-K536 VanDerWaalsContact O-N 3.13Å; A533-K536 WeakPolarHBondContact O-CB 3.31Å; A533-K536 PolarHBondContact O-N 2.92Å; A533-K536 VanDerWaalsContact O-N 3.11Å; K536-K540 WeakPolarHBondContact O-CB 3.4Å; K536-K540 WeakPolarHBondContact O-CD 3.41Å; K536-K540 VanDerWaalsContact O-CG 3.25Å; K536-K540 WeakPolarHBondContact O-CG 3.36Å; K536-K540 PolarHBondContact O-N 3.47Å
537	E	95.6	Very high	94.7	Very high	32 Å²	32	48.4 Å²	48.4	15%	0.15	27%	0.266	C	S	.	.	H	α-helix	trans	-60.9	-52.8	169.2	-70.4	167.4	-152.1	0	0	111	A533 K534 A539 K540 G541 D542 S594	A533-E537 WeakPolarHBondContact O-CG 3.39Å; A533-E537 PolarHBondContact O-N 3.16Å; K534-E537 WeakPolarHBondContact CD-OE2 3.27Å; K534-E537 IonicContact NZ-OE1 3.83Å; K534-E537 PolarHBondContact NZ-OE1 3.19Å; K534-E537 IonicContact NZ-OE2 3.66Å; K534-E537 PolarHBondContact NZ-OE2 2.9Å; K534-E537 WeakPolarHBondContact O-CB 3.35Å; K534-E537 PolarHBondContact O-N 3.02Å; E537-A539 PolarHBondContact O-N 3.45Å; E537-K540 PolarHBondContact O-N 3.24Å; E537-G541 PolarHBondContact O-N 2.96Å; E537-D542 WeakPolarHBondContact CB-O 3.38Å; E537-D542 PolarHBondContact O-N 2.69Å; E537-D542 VanDerWaalsContact O-N 3.12Å; E537-S594 VanDerWaalsContact OE2-CB 3.24Å; E537-S594 WeakPolarHBondContact OE2-CB 3.46Å; E537-S594 PolarHBondContact OE2-OG 3.05Å
538	M	96.4	Very high	94.7	Very high	2 Å²	2	44 Å²	44	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-57.8	-45	178.8	-68	171.7	-176.3	0	0	112.8	L500 A501 L504 K534 G535 K540 G541 V596 F597	L500-M538 HydrophobicContact CD2-CE 4.42Å; L500-M538 HydrophobicContact CD2-SD 4.19Å; L500-M538 HydrophobicContact CG-SD 4.18Å; A501-M538 HydrophobicContact CB-CE 4.01Å; A501-M538 HydrophobicContact CB-SD 4.29Å; L504-M538 HydrophobicContact CD1-CB 4.06Å; L504-M538 HydrophobicContact CD1-SD 3.87Å; K534-M538 WeakPolarHBondContact O-CG 3.36Å; K534-M538 PolarHBondContact O-N 3.42Å; G535-M538 PolarHBondContact O-N 3.34Å; M538-K540 VanDerWaalsContact C-N 3.31Å; M538-K540 PolarHBondContact O-N 3.02Å; M538-G541 PolarHBondContact O-N 3.28Å; M538-V596 HydrophobicContact CE-CG1 4.24Å; M538-F597 HydrophobicContact CB-CB 4.12Å; M538-F597 HydrophobicContact CB-CD1 4.02Å; M538-F597 HydrophobicContact CB-CD2 4.4Å; M538-F597 HydrophobicContact CB-CG 3.93Å; M538-F597 HydrophobicContact CE-CB 4.33Å; M538-F597 HydrophobicContact CG-CB 3.61Å; M538-F597 HydrophobicContact CG-CD1 4.42Å; M538-F597 HydrophobicContact CG-CG 3.99Å; M538-F597 HydrophobicContact SD-CB 3.9Å; M538-F597 HydrophobicContact SD-CD2 4.49Å; M538-F597 HydrophobicContact SD-CG 4.36Å
539	A	95.7	Very high	94.9	Very high	29 Å²	29	42.3 Å²	42.3	24%	0.24	24%	0.236	C	C	.	.	H	α-helix	trans	-67.9	-28.3	179.7	0	0	0	0	0	113.5	L514 I518 G535 E537	L514-A539 HydrophobicContact CB-CB 3.83Å; L514-A539 HydrophobicContact CD1-CB 4.39Å; I518-A539 HydrophobicContact CD1-CB 3.63Å; G535-A539 WeakPolarHBondContact O-CB 3.31Å; G535-A539 PolarHBondContact O-N 3.02Å; E537-A539 PolarHBondContact O-N 3.45Å
540	K	94.6	Very high	95	Very high	161 Å²	161	37.9 Å²	37.9	70%	0.7	21%	0.207	S	C	*	.	H	α-helix	trans	-83.6	-21.5	173.3	-71.5	174.2	-179	-178.1	0	113.4	K536 E537 M538 D542	K536-K540 WeakPolarHBondContact O-CB 3.4Å; K536-K540 WeakPolarHBondContact O-CD 3.41Å; K536-K540 VanDerWaalsContact O-CG 3.25Å; K536-K540 WeakPolarHBondContact O-CG 3.36Å; K536-K540 PolarHBondContact O-N 3.47Å; E537-K540 PolarHBondContact O-N 3.24Å; M538-K540 VanDerWaalsContact C-N 3.31Å; M538-K540 PolarHBondContact O-N 3.02Å; K540-D542 HydrophobicContact CB-CB 4.06Å
541	G	92.4	Very high	95.1	Very high	44 Å²	44	37.6 Å²	37.6	45%	0.454	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	69	20.2	-165.1	0	0	0	0	0	113.2	E537 M538	E537-G541 PolarHBondContact O-N 2.96Å; M538-G541 PolarHBondContact O-N 3.28Å
542	D	92.5	Very high	95.2	Very high	69 Å²	69	36.5 Å²	36.5	37%	0.369	20%	0.2	S	C	.	.			trans	-93.7	105	178.1	-178.9	1.2	0	0	0	109.3	E537 K540 N544	E537-D542 WeakPolarHBondContact CB-O 3.38Å; E537-D542 PolarHBondContact O-N 2.69Å; E537-D542 VanDerWaalsContact O-N 3.12Å; K540-D542 HydrophobicContact CB-CB 4.06Å; D542-N544 WeakPolarHBondContact OD1-CB 3.33Å; D542-N544 PolarHBondContact OD1-N 2.93Å; D542-N544 VanDerWaalsContact OD1-N 3.13Å; D542-N544 PolarHBondContact OD1-ND2 2.88Å
543	F	94.3	Very high	95.3	Very high	22 Å²	22	36.4 Å²	36.4	10%	0.096	20%	0.199	C	C	.	.			trans	-110.3	33.7	-178.2	-49.8	-61.2	0	0	0	112.4	Y588 H591 D592 A595 F597 V598	F543-Y588 HydrophobicContact CD2-CE1 4.28Å; F543-H591 HydrophobicContact CB-CB 3.96Å; F543-D592 HydrophobicContact CB-CB 4.48Å; F543-D592 PolarHBondContact O-N 3.36Å; F543-A595 HydrophobicContact CB-CB 4.04Å; F543-A595 HydrophobicContact CD1-CB 3.93Å; F543-A595 HydrophobicContact CD2-CB 4.15Å; F543-A595 HydrophobicContact CE1-CB 4.42Å; F543-A595 HydrophobicContact CG-CB 3.77Å; F543-F597 HydrophobicContact CZ-CD1 4.29Å; F543-V598 HydrophobicContact CD2-CG2 4.46Å; F543-V598 HydrophobicContact CE2-CG2 3.57Å; F543-V598 HydrophobicContact CZ-CG2 3.76Å
544	N	93.1	Very high	95.4	Very high	69 Å²	69	35 Å²	35	37%	0.369	18%	0.183	S	C	.	.			trans	-54.6	123.3	169.4	-89.5	-60.3	0	0	0	110.7	D542 Q546	D542-N544 WeakPolarHBondContact OD1-CB 3.33Å; D542-N544 PolarHBondContact OD1-N 2.93Å; D542-N544 VanDerWaalsContact OD1-N 3.13Å; D542-N544 PolarHBondContact OD1-ND2 2.88Å; N544-Q546 PolarHBondContact O-N 3.41Å
545	P	92.6	Very high	95.5	Very high	10 Å²	10	34.1 Å²	34.1	7%	0.065	18%	0.18	C	C	.	.			trans	-76.6	111.3	-161.4	30.7	-37.2	0	0	0	113.6	P292 M325	P292-P545 HydrophobicContact CB-CG 4.45Å; P292-P545 HydrophobicContact CG-CG 4.09Å; M325-P545 HydrophobicContact CE-CB 3.83Å; M325-P545 HydrophobicContact CE-CG 3.86Å; M325-P545 VanDerWaalsContact CE-O 3.3Å; M325-P545 WeakPolarHBondContact CE-O 3.21Å
546	Q	92.8	Very high	95.6	Very high	40 Å²	40	34 Å²	34	19%	0.187	18%	0.179	C	C	.	.	S	Bend	trans	-89.4	-33.1	163.9	-60.2	-62.9	-29.9	0	0	111.4	R440 N544 D592	R440-Q546 PolarHBondContact N-O 2.83Å; N544-Q546 PolarHBondContact O-N 3.41Å; Q546-D592 WeakPolarHBondContact CA-OD1 3.42Å; Q546-D592 WeakPolarHBondContact CB-OD1 3.39Å; Q546-D592 PolarHBondContact N-OD1 2.87Å
547	Q	94	Very high	95.7	Very high	34 Å²	34	35.2 Å²	35.2	16%	0.159	18%	0.181	C	C	.	.	S	Bend	trans	-143.2	116.1	166.9	-175.4	-167.7	25	0	0	108.5	L549 M552 D592 S593	Q547-L549 PolarHBondContact O-N 3.34Å; Q547-M552 VanDerWaalsContact OE1-CE 3.3Å; Q547-D592 PolarHBondContact N-OD1 3.02Å; Q547-D592 CarbonylContact O-C 3.55Å; Q547-D592 WeakPolarHBondContact O-CA 3.37Å; Q547-S593 PolarHBondContact O-N 3.48Å
548	P	95.6	Very high	95.8	Very high	11 Å²	11	34 Å²	34	7%	0.071	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-56.9	136.4	179.7	-28	36	0	0	0	112.9	M325 S550 H551 M552 H591	M325-P548 HydrophobicContact CE-CG 4.01Å; M325-P548 HydrophobicContact SD-CG 4.18Å; P548-S550 PolarHBondContact O-N 3.48Å; P548-H551 HydrophobicContact CB-CB 4.41Å; P548-H551 WeakPolarHBondContact O-CA 3.3Å; P548-H551 WeakPolarHBondContact O-CB 3.32Å; P548-H551 PolarHBondContact O-N 2.74Å; P548-M552 PolarHBondContact O-N 2.58Å; P548-M552 VanDerWaalsContact O-N 3.14Å; P548-H591 CarbonylContact C-O 3.57Å; P548-H591 WeakPolarHBondContact CA-O 3.11Å
549	L	97.4	Very high	95.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.3	-34.6	177.3	-170.4	145.1	0	0	0	111.8	Q547 H551 M552 Q553 F580 T583 K584 Y588 H591 A595 V596	Q547-L549 PolarHBondContact O-N 3.34Å; L549-H551 VanDerWaalsContact C-N 3.3Å; L549-H551 PolarHBondContact O-N 3.19Å; L549-M552 PolarHBondContact O-N 3.23Å; L549-Q553 WeakPolarHBondContact O-CB 3.34Å; L549-Q553 PolarHBondContact O-N 3.49Å; L549-F580 HydrophobicContact CD1-CD1 4.19Å; L549-F580 HydrophobicContact CD1-CE1 4.37Å; L549-F580 HydrophobicContact CD2-CD1 4.13Å; L549-F580 HydrophobicContact CG-CD1 3.8Å; L549-F580 HydrophobicContact CG-CE1 4.17Å; L549-T583 HydrophobicContact CD1-CG2 3.63Å; L549-K584 HydrophobicContact CD2-CB 3.86Å; L549-Y588 WeakPolarHBondContact CB-O 3.33Å; L549-H591 PolarHBondContact N-O 3.26Å; L549-A595 HydrophobicContact CD1-CB 4Å; L549-V596 HydrophobicContact CD1-CB 4.49Å
550	S	96.8	Very high	96	Very high	17 Å²	17	34 Å²	34	12%	0.119	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-34.9	172.8	60.6	0	0	0	0	113.4	P548 R554 S589	P548-S550 PolarHBondContact O-N 3.48Å; S550-R554 WeakPolarHBondContact O-CB 3.48Å; S550-R554 PolarHBondContact O-N 3.49Å; S550-S589 WeakPolarHBondContact CB-O 3.25Å; S550-S589 PolarHBondContact N-O 3.38Å; S550-S589 PolarHBondContact OG-O 3Å; S550-S589 VanDerWaalsContact OG-O 3.09Å
551	H	97	Very high	96.2	Very high	53 Å²	53	30.1 Å²	30.1	25%	0.245	16%	0.158	C	C	.	.	H	α-helix	trans	-75.9	-43.2	176.9	-64.2	178.8	0	0	0	111.4	P548 L549 Q553 R554 D555	P548-H551 HydrophobicContact CB-CB 4.41Å; P548-H551 WeakPolarHBondContact O-CA 3.3Å; P548-H551 WeakPolarHBondContact O-CB 3.32Å; P548-H551 PolarHBondContact O-N 2.74Å; L549-H551 VanDerWaalsContact C-N 3.3Å; L549-H551 PolarHBondContact O-N 3.19Å; H551-Q553 VanDerWaalsContact C-N 3.31Å; H551-Q553 PolarHBondContact O-N 3.42Å; H551-R554 WeakPolarHBondContact O-CB 3.42Å; H551-R554 PolarHBondContact O-N 2.66Å; H551-R554 VanDerWaalsContact O-N 3.14Å; H551-D555 PolarHBondContact O-N 3.07Å
552	M	97.7	Very high	96.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.8	-43.1	172.5	175.1	50.6	62	0	0	111.5	L493 G494 L497 Q547 P548 L549 R554 D555 L556 F580	L493-M552 HydrophobicContact CB-CE 4.15Å; L493-M552 HydrophobicContact CD2-CE 3.54Å; L493-M552 HydrophobicContact CG-CE 3.56Å; G494-M552 VanDerWaalsContact CA-SD 3.53Å; L497-M552 HydrophobicContact CD1-CE 4.32Å; Q547-M552 VanDerWaalsContact OE1-CE 3.3Å; P548-M552 PolarHBondContact O-N 2.58Å; P548-M552 VanDerWaalsContact O-N 3.14Å; L549-M552 PolarHBondContact O-N 3.23Å; M552-R554 PolarHBondContact O-N 3.28Å; M552-D555 PolarHBondContact O-N 2.95Å; M552-L556 HydrophobicContact CG-CD1 4.24Å; M552-L556 WeakPolarHBondContact O-CG 3.39Å; M552-L556 PolarHBondContact O-N 2.98Å; M552-L556 HydrophobicContact SD-CD1 3.97Å; M552-L556 HydrophobicContact SD-CG 3.99Å; M552-F580 HydrophobicContact CB-CE1 4.25Å; M552-F580 HydrophobicContact CB-CZ 4.5Å; M552-F580 HydrophobicContact CG-CD1 4.07Å; M552-F580 HydrophobicContact CG-CD2 4.19Å; M552-F580 HydrophobicContact CG-CE1 3.59Å; M552-F580 HydrophobicContact CG-CE2 3.72Å; M552-F580 HydrophobicContact CG-CG 4.36Å; M552-F580 HydrophobicContact CG-CZ 3.4Å; M552-F580 HydrophobicContact SD-CE2 4.44Å; M552-F580 HydrophobicContact SD-CZ 4.48Å
553	Q	98.1	Very high	96.6	Very high	15 Å²	15	26.7 Å²	26.7	7%	0.07	13%	0.13	C	C	.	.	H	α-helix	trans	-64	-38.9	175	-165.9	-80.8	-63.5	0	0	112.3	L549 H551 R557 N577 F580 K581 K584	L549-Q553 WeakPolarHBondContact O-CB 3.34Å; L549-Q553 PolarHBondContact O-N 3.49Å; H551-Q553 VanDerWaalsContact C-N 3.31Å; H551-Q553 PolarHBondContact O-N 3.42Å; Q553-R557 PolarHBondContact O-N 2.93Å; Q553-N577 PolarHBondContact NE2-OD1 3.32Å; Q553-F580 HydrophobicContact CB-CB 4.02Å; Q553-F580 HydrophobicContact CG-CB 3.94Å; Q553-K581 HydrophobicContact CG-CG 3.9Å; Q553-K584 HydrophobicContact CG-CD 4.46Å
554	R	97.8	Very high	96.8	Very high	16 Å²	16	32.5 Å²	32.5	6%	0.06	16%	0.157	C	C	.	.	H	α-helix	trans	-57.8	-48.9	171.2	165.7	-151.9	68	177.3	1.1	110.2	S380 T411 S550 H551 M552 L556 R557 L558	S380-R554 WeakPolarHBondContact O-CD 3.3Å; S380-R554 PolarHBondContact O-NH1 3.19Å; T411-R554 PolarHBondContact OG1-NH2 3.36Å; S550-R554 WeakPolarHBondContact O-CB 3.48Å; S550-R554 PolarHBondContact O-N 3.49Å; H551-R554 WeakPolarHBondContact O-CB 3.42Å; H551-R554 PolarHBondContact O-N 2.66Å; H551-R554 VanDerWaalsContact O-N 3.14Å; M552-R554 PolarHBondContact O-N 3.28Å; R554-L556 PolarHBondContact O-N 3.01Å; R554-R557 WeakPolarHBondContact O-CA 3.48Å; R554-R557 WeakPolarHBondContact O-CB 3.43Å; R554-R557 PolarHBondContact O-N 2.89Å; R554-R557 VanDerWaalsContact O-N 3.09Å; R554-L558 HydrophobicContact CG-CD1 4.26Å; R554-L558 HydrophobicContact CG-CG 4.49Å; R554-L558 WeakPolarHBondContact O-CG 3.49Å; R554-L558 PolarHBondContact O-N 3.44Å
555	D	98.2	Very high	96.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.9	-44.6	-174.5	-63	-17.8	0	0	0	111.7	T411 Q490 H551 M552 R557 L558 V559	T411-D555 WeakPolarHBondContact CG2-OD1 3.37Å; Q490-D555 HydrophobicContact CB-CB 3.82Å; Q490-D555 HydrophobicContact CG-CB 3.95Å; Q490-D555 PolarHBondContact NE2-OD2 3.22Å; H551-D555 PolarHBondContact O-N 3.07Å; M552-D555 PolarHBondContact O-N 2.95Å; D555-R557 PolarHBondContact O-N 3.41Å; D555-L558 PolarHBondContact O-N 3.41Å; D555-V559 WeakPolarHBondContact O-CG2 3.24Å; D555-V559 PolarHBondContact O-N 3Å
556	L	98.5	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-31	174.7	-66.3	168	0	0	0	112.8	M552 R554 L560 T573 T576 N577 F580	M552-L556 HydrophobicContact CG-CD1 4.24Å; M552-L556 WeakPolarHBondContact O-CG 3.39Å; M552-L556 PolarHBondContact O-N 2.98Å; M552-L556 HydrophobicContact SD-CD1 3.97Å; M552-L556 HydrophobicContact SD-CG 3.99Å; R554-L556 PolarHBondContact O-N 3.01Å; L556-L560 WeakPolarHBondContact O-CD1 3.41Å; L556-L560 VanDerWaalsContact O-CG 3.24Å; L556-L560 WeakPolarHBondContact O-CG 3.13Å; L556-L560 PolarHBondContact O-N 3.03Å; L556-L560 VanDerWaalsContact O-N 3.14Å; L556-T573 HydrophobicContact CD2-CG2 3.85Å; L556-T576 HydrophobicContact CD1-CG2 3.75Å; L556-T576 HydrophobicContact CD2-CG2 4.27Å; L556-N577 HydrophobicContact CB-CB 4.05Å; L556-F580 HydrophobicContact CD1-CD2 3.27Å; L556-F580 HydrophobicContact CD1-CE2 3.69Å; L556-F580 HydrophobicContact CD1-CG 4.12Å
557	R	98.3	Very high	97.2	Very high	116 Å²	116	45.7 Å²	45.7	44%	0.438	23%	0.228	S	C	.	.	H	α-helix	trans	-68.6	-42.9	170.1	175.8	-176.6	61.7	170.5	1.3	111.6	Q553 R554 D555 V559 L560 N561	Q553-R557 PolarHBondContact O-N 2.93Å; R554-R557 WeakPolarHBondContact O-CA 3.48Å; R554-R557 WeakPolarHBondContact O-CB 3.43Å; R554-R557 PolarHBondContact O-N 2.89Å; R554-R557 VanDerWaalsContact O-N 3.09Å; D555-R557 PolarHBondContact O-N 3.41Å; R557-V559 VanDerWaalsContact C-N 3.34Å; R557-V559 PolarHBondContact O-N 2.72Å; R557-L560 PolarHBondContact O-N 2.95Å; R557-N561 PolarHBondContact O-N 3.37Å; R557-N561 PolarHBondContact O-OD1 3.18Å; R557-N561 VanDerWaalsContact O-OD1 3.05Å
558	L	98.3	Very high	97.3	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-64.1	-39.1	177.2	-59.9	178.6	0	0	0	111.7	P382 D413 L487 R554 D555 N561 M562	P382-L558 HydrophobicContact CG-CD1 4.09Å; P382-L558 HydrophobicContact CG-CD2 3.86Å; D413-L558 HydrophobicContact CB-CD2 4.24Å; L487-L558 HydrophobicContact CD1-CB 3.92Å; L487-L558 HydrophobicContact CD2-CB 3.72Å; L487-L558 HydrophobicContact CD2-CD1 4.19Å; R554-L558 HydrophobicContact CG-CD1 4.26Å; R554-L558 HydrophobicContact CG-CG 4.49Å; R554-L558 WeakPolarHBondContact O-CG 3.49Å; R554-L558 PolarHBondContact O-N 3.44Å; D555-L558 PolarHBondContact O-N 3.41Å; L558-N561 PolarHBondContact O-N 3.11Å; L558-M562 WeakPolarHBondContact O-CB 3.22Å; L558-M562 PolarHBondContact O-N 2.81Å
559	V	98.5	Very high	97.5	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-57.4	-48.2	171.9	170	0	0	0	0	111.6	L487 T491 D555 R557 M562 A563 M570 T573	L487-V559 HydrophobicContact CB-CG2 3.9Å; L487-V559 HydrophobicContact CD2-CG2 4.35Å; L487-V559 WeakPolarHBondContact O-CG2 3.2Å; T491-V559 HydrophobicContact CG2-CG1 4.22Å; T491-V559 VanDerWaalsContact OG1-CG1 3.23Å; T491-V559 WeakPolarHBondContact OG1-CG1 3.43Å; T491-V559 VanDerWaalsContact OG1-CG2 3.24Å; T491-V559 WeakPolarHBondContact OG1-CG2 3.39Å; D555-V559 WeakPolarHBondContact O-CG2 3.24Å; D555-V559 PolarHBondContact O-N 3Å; R557-V559 VanDerWaalsContact C-N 3.34Å; R557-V559 PolarHBondContact O-N 2.72Å; V559-M562 PolarHBondContact O-N 3.32Å; V559-A563 WeakPolarHBondContact O-CB 3.42Å; V559-A563 PolarHBondContact O-N 2.87Å; V559-M570 HydrophobicContact CG1-CE 4.31Å; V559-T573 HydrophobicContact CG1-CG2 3.88Å
560	L	98.5	Very high	97.5	Very high	30 Å²	30	55.7 Å²	55.7	16%	0.157	28%	0.284	C	S	.	.	H	α-helix	trans	-66.4	-41.3	-177.8	-71.7	165.5	0	0	0	111.8	L556 R557 A563 E564 M570 T573 S574 N577	L556-L560 WeakPolarHBondContact O-CD1 3.41Å; L556-L560 VanDerWaalsContact O-CG 3.24Å; L556-L560 WeakPolarHBondContact O-CG 3.13Å; L556-L560 PolarHBondContact O-N 3.03Å; L556-L560 VanDerWaalsContact O-N 3.14Å; R557-L560 PolarHBondContact O-N 2.95Å; L560-A563 PolarHBondContact O-N 3.41Å; L560-E564 WeakPolarHBondContact O-CB 3.47Å; L560-E564 PolarHBondContact O-N 3.14Å; L560-M570 HydrophobicContact CD2-CB 4.11Å; L560-T573 HydrophobicContact CD2-CG2 4.18Å; L560-T573 HydrophobicContact CG-CG2 4.23Å; L560-S574 WeakPolarHBondContact CD2-OG 3.29Å; L560-N577 HydrophobicContact CD1-CB 3.77Å; L560-N577 WeakPolarHBondContact CD1-ND2 3.31Å
561	N	97.6	Very high	97.6	Very high	78 Å²	78	59.1 Å²	59.1	42%	0.417	31%	0.306	S	S	.	.	H	α-helix	trans	-60.9	-43.7	172.7	-67.5	20.2	0	0	0	111.6	R557 L558 A563 E564 N565	R557-N561 PolarHBondContact O-N 3.37Å; R557-N561 PolarHBondContact O-OD1 3.18Å; R557-N561 VanDerWaalsContact O-OD1 3.05Å; L558-N561 PolarHBondContact O-N 3.11Å; N561-A563 VanDerWaalsContact C-N 3.28Å; N561-A563 PolarHBondContact O-N 2.9Å; N561-E564 PolarHBondContact O-N 2.88Å; N561-N565 PolarHBondContact O-N 3.31Å; N561-N565 VanDerWaalsContact O-N 3.08Å
562	M	96.6	Very high	97.7	Very high	33 Å²	33	60.6 Å²	60.6	16%	0.163	32%	0.319	C	S	.	.	H	α-helix	trans	-64.3	-32.9	177.2	-177.3	-179.3	69.2	0	0	112.4	P414 K484 L487 I488 L558 V559	P414-M562 HydrophobicContact CG-SD 4.16Å; K484-M562 HydrophobicContact CB-SD 4.29Å; K484-M562 HydrophobicContact CG-SD 3.88Å; L487-M562 HydrophobicContact CB-CE 3.95Å; L487-M562 HydrophobicContact CB-SD 4.45Å; L487-M562 HydrophobicContact CD1-CE 4.5Å; L487-M562 HydrophobicContact CD1-SD 4.12Å; I488-M562 HydrophobicContact CG1-CE 4.43Å; L558-M562 WeakPolarHBondContact O-CB 3.22Å; L558-M562 PolarHBondContact O-N 2.81Å; V559-M562 PolarHBondContact O-N 3.32Å
563	A	97.7	Very high	97.7	Very high	9 Å²	9	60.8 Å²	60.8	7%	0.074	32%	0.32	C	S	.	.	H	α-helix	trans	-76.1	-36.6	175.9	0	0	0	0	0	112.4	V559 L560 N561 L566 D567 Q568 M570	V559-A563 WeakPolarHBondContact O-CB 3.42Å; V559-A563 PolarHBondContact O-N 2.87Å; L560-A563 PolarHBondContact O-N 3.41Å; N561-A563 VanDerWaalsContact C-N 3.28Å; N561-A563 PolarHBondContact O-N 2.9Å; A563-L566 CarbonylContact O-C 3.48Å; A563-L566 PolarHBondContact O-N 3.25Å; A563-L566 VanDerWaalsContact O-N 3.07Å; A563-D567 PolarHBondContact O-N 3.29Å; A563-Q568 HydrophobicContact CB-CB 4.23Å; A563-Q568 PolarHBondContact O-N 3.08Å; A563-M570 HydrophobicContact CB-CG 3.6Å
564	E	97.2	Very high	97.7	Very high	143 Å²	143	62.6 Å²	62.6	67%	0.668	33%	0.334	S	S	*	.	H	α-helix	trans	-60	-44	173.2	-174.6	171.7	-166.7	0	0	111.2	L560 N561 L566 D567	L560-E564 WeakPolarHBondContact O-CB 3.47Å; L560-E564 PolarHBondContact O-N 3.14Å; N561-E564 PolarHBondContact O-N 2.88Å; E564-L566 PolarHBondContact O-N 2.91Å; E564-D567 PolarHBondContact O-N 3.27Å; E564-D567 VanDerWaalsContact O-N 3.14Å
565	N	94.2	Very high	97.7	Very high	106 Å²	106	66.9 Å²	66.9	57%	0.567	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-7.9	173.3	-72.7	-1.4	0	0	0	114.7	D415 N561	D415-N565 PolarHBondContact OD2-ND2 2.86Å; N561-N565 PolarHBondContact O-N 3.31Å; N561-N565 VanDerWaalsContact O-N 3.08Å
566	L	95.4	Very high	97.7	Very high	129 Å²	129	67.1 Å²	67.1	68%	0.675	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.2	8.9	-179.1	-64.9	175.4	0	0	0	113.1	A563 E564 Q568	A563-L566 CarbonylContact O-C 3.48Å; A563-L566 PolarHBondContact O-N 3.25Å; A563-L566 VanDerWaalsContact O-N 3.07Å; E564-L566 PolarHBondContact O-N 2.91Å; L566-Q568 HydrophobicContact CB-CB 4.32Å; L566-Q568 PolarHBondContact O-N 3.4Å
567	D	96.8	Very high	97.7	Very high	162 Å²	162	67.3 Å²	67.3	87%	0.866	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	23.8	-171	-65.6	-58.2	0	0	0	113.9	A563 E564 S569	A563-D567 PolarHBondContact O-N 3.29Å; E564-D567 PolarHBondContact O-N 3.27Å; E564-D567 VanDerWaalsContact O-N 3.14Å; D567-S569 PolarHBondContact O-N 2.98Å
568	Q	98.1	Very high	97.7	Very high	112 Å²	112	65.2 Å²	65.2	52%	0.523	36%	0.355	S	S	.	.			trans	-85.3	112.4	-174.1	177.3	56	69.2	0	0	110.9	A563 L566 M570	A563-Q568 HydrophobicContact CB-CB 4.23Å; A563-Q568 PolarHBondContact O-N 3.08Å; L566-Q568 HydrophobicContact CB-CB 4.32Å; L566-Q568 PolarHBondContact O-N 3.4Å; Q568-M570 HydrophobicContact CG-CG 4.22Å; Q568-M570 HydrophobicContact CG-SD 4.05Å; Q568-M570 PolarHBondContact O-N 3.1Å
569	S	98.1	Very high	97.7	Very high	90 Å²	90	65.9 Å²	65.9	63%	0.629	36%	0.359	S	S	*	.			trans	-65.9	126.2	175.7	-170.2	0	0	0	0	111.9	D567	D567-S569 PolarHBondContact O-N 2.98Å
570	M	98.2	Very high	97.7	Very high	52 Å²	52	65.8 Å²	65.8	26%	0.256	36%	0.359	S	S	.	.			trans	-130.9	53.4	-176	-66.1	-65.5	-77.6	0	0	112.7	T491 V559 L560 A563 Q568 V572 T573 S574	T491-M570 HydrophobicContact CG2-CE 3.8Å; V559-M570 HydrophobicContact CG1-CE 4.31Å; L560-M570 HydrophobicContact CD2-CB 4.11Å; A563-M570 HydrophobicContact CB-CG 3.6Å; Q568-M570 HydrophobicContact CG-CG 4.22Å; Q568-M570 HydrophobicContact CG-SD 4.05Å; Q568-M570 PolarHBondContact O-N 3.1Å; M570-V572 VanDerWaalsContact C-N 3.34Å; M570-V572 PolarHBondContact O-N 3.02Å; M570-T573 PolarHBondContact O-N 3.04Å; M570-T573 VanDerWaalsContact O-N 3.09Å; M570-S574 PolarHBondContact O-N 2.95Å; M570-S574 PolarHBondContact O-OG 3.29Å
571	P	98.3	Very high	97.6	Very high	89 Å²	89	67.5 Å²	67.5	58%	0.578	37%	0.365	S	S	*	.	H	α-helix	trans	-59.8	-38.1	-166.3	23.7	-34.7	0	0	0	114.1	S574 I575	P571-S574 PolarHBondContact O-N 3.24Å; P571-I575 PolarHBondContact O-N 3.3Å
572	V	98.6	Very high	97.5	Very high	84 Å²	84	67.4 Å²	67.4	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-65.6	-45.5	177.6	-175.6	0	0	0	0	110.5	V495 M570 S574 I575 T576	V495-V572 HydrophobicContact CG1-CG1 3.67Å; V495-V572 HydrophobicContact CG2-CG1 4.1Å; M570-V572 VanDerWaalsContact C-N 3.34Å; M570-V572 PolarHBondContact O-N 3.02Å; V572-S574 VanDerWaalsContact C-N 3.32Å; V572-S574 PolarHBondContact O-N 2.97Å; V572-I575 WeakPolarHBondContact O-CG2 3.45Å; V572-I575 PolarHBondContact O-N 3.37Å; V572-T576 WeakPolarHBondContact O-CB 3.26Å; V572-T576 PolarHBondContact O-N 3.14Å; V572-T576 PolarHBondContact O-OG1 3.4Å
573	T	98.6	Very high	97.5	Very high	5 Å²	5	65.8 Å²	65.8	3%	0.031	35%	0.354	C	S	.	.	H	α-helix	trans	-65.1	-36	177.9	-50.3	0	0	0	0	112.1	T491 L556 V559 L560 M570 T576 N577	T491-T573 HydrophobicContact CG2-CG2 4.14Å; T491-T573 WeakPolarHBondContact CG2-OG1 3.45Å; L556-T573 HydrophobicContact CD2-CG2 3.85Å; V559-T573 HydrophobicContact CG1-CG2 3.88Å; L560-T573 HydrophobicContact CD2-CG2 4.18Å; L560-T573 HydrophobicContact CG-CG2 4.23Å; M570-T573 PolarHBondContact O-N 3.04Å; M570-T573 VanDerWaalsContact O-N 3.09Å; T573-T576 PolarHBondContact O-N 3.37Å; T573-N577 WeakPolarHBondContact O-CB 3.4Å; T573-N577 PolarHBondContact O-N 3.3Å
574	S	98.5	Very high	97.3	Very high	52 Å²	52	68.9 Å²	68.9	36%	0.364	37%	0.366	S	S	.	.	H	α-helix	trans	-59.6	-50	175.3	-62.1	0	0	0	0	111.8	L560 M570 P571 V572 N577 E578	L560-S574 WeakPolarHBondContact CD2-OG 3.29Å; M570-S574 PolarHBondContact O-N 2.95Å; M570-S574 PolarHBondContact O-OG 3.29Å; P571-S574 PolarHBondContact O-N 3.24Å; V572-S574 VanDerWaalsContact C-N 3.32Å; V572-S574 PolarHBondContact O-N 2.97Å; S574-N577 PolarHBondContact O-N 3.24Å; S574-E578 PolarHBondContact O-N 3.38Å
575	I	98.2	Very high	97.1	Very high	107 Å²	107	68.7 Å²	68.7	55%	0.549	36%	0.359	S	S	.	.	H	α-helix	trans	-68.9	-38.4	177.9	-169	63.1	0	0	0	111.8	P571 V572 N577 E578 V579	P571-I575 PolarHBondContact O-N 3.3Å; V572-I575 WeakPolarHBondContact O-CG2 3.45Å; V572-I575 PolarHBondContact O-N 3.37Å; I575-N577 VanDerWaalsContact C-N 3.34Å; I575-N577 PolarHBondContact O-N 3.1Å; I575-E578 PolarHBondContact O-N 3.43Å; I575-E578 VanDerWaalsContact O-N 3.1Å; I575-V579 WeakPolarHBondContact O-CG2 3.4Å; I575-V579 PolarHBondContact O-N 3.46Å
576	T	98.4	Very high	97	Very high	4 Å²	4	66 Å²	66	3%	0.025	34%	0.344	C	S	.	.	H	α-helix	trans	-54.3	-47.4	172.5	-61.3	0	0	0	0	111.5	G494 V495 V498 L556 V572 T573 E578 V579 F580	G494-T576 WeakPolarHBondContact O-CG2 3.42Å; V495-T576 HydrophobicContact CG2-CG2 4.35Å; V498-T576 HydrophobicContact CB-CG2 4.24Å; V498-T576 HydrophobicContact CG2-CG2 3.71Å; L556-T576 HydrophobicContact CD1-CG2 3.75Å; L556-T576 HydrophobicContact CD2-CG2 4.27Å; V572-T576 WeakPolarHBondContact O-CB 3.26Å; V572-T576 PolarHBondContact O-N 3.14Å; V572-T576 PolarHBondContact O-OG1 3.4Å; T573-T576 PolarHBondContact O-N 3.37Å; T576-E578 VanDerWaalsContact C-N 3.33Å; T576-E578 PolarHBondContact O-N 2.8Å; T576-V579 PolarHBondContact O-N 3.22Å; T576-F580 HydrophobicContact CG2-CD2 3.97Å; T576-F580 HydrophobicContact CG2-CE2 3.89Å; T576-F580 VanDerWaalsContact O-CD2 3.31Å; T576-F580 WeakPolarHBondContact O-CD2 3.35Å; T576-F580 PolarHBondContact O-N 2.78Å
577	N	98.5	Very high	96.9	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.027	33%	0.331	C	S	.	.	H	α-helix	trans	-60.2	-40	176.6	-175.6	25.4	0	0	0	112.2	Q553 L556 L560 T573 S574 I575 F580 K581	Q553-N577 PolarHBondContact NE2-OD1 3.32Å; L556-N577 HydrophobicContact CB-CB 4.05Å; L560-N577 HydrophobicContact CD1-CB 3.77Å; L560-N577 WeakPolarHBondContact CD1-ND2 3.31Å; T573-N577 WeakPolarHBondContact O-CB 3.4Å; T573-N577 PolarHBondContact O-N 3.3Å; S574-N577 PolarHBondContact O-N 3.24Å; I575-N577 VanDerWaalsContact C-N 3.34Å; I575-N577 PolarHBondContact O-N 3.1Å; N577-F580 PolarHBondContact O-N 3.35Å; N577-K581 WeakPolarHBondContact ND2-CE 3.45Å; N577-K581 PolarHBondContact ND2-NZ 3.39Å; N577-K581 WeakPolarHBondContact O-CG 3.35Å; N577-K581 PolarHBondContact O-N 3.05Å
578	E	98.1	Very high	96.8	Very high	71 Å²	71	56 Å²	56	33%	0.332	30%	0.298	S	S	.	.	H	α-helix	trans	-65.3	-42.6	175	-66.8	-49	129.6	0	0	112.6	S574 I575 T576 F580 K581 H582	S574-E578 PolarHBondContact O-N 3.38Å; I575-E578 PolarHBondContact O-N 3.43Å; I575-E578 VanDerWaalsContact O-N 3.1Å; T576-E578 VanDerWaalsContact C-N 3.33Å; T576-E578 PolarHBondContact O-N 2.8Å; E578-F580 VanDerWaalsContact C-N 3.29Å; E578-F580 PolarHBondContact O-N 2.91Å; E578-K581 CarbonylContact O-C 3.31Å; E578-K581 WeakPolarHBondContact O-CB 3.23Å; E578-K581 PolarHBondContact O-N 3.42Å; E578-K581 VanDerWaalsContact O-N 3.11Å; E578-K581 WeakPolarHBondContact OE1-CD 3.35Å; E578-K581 WeakPolarHBondContact OE1-CE 3.41Å; E578-K581 IonicContact OE1-NZ 2.79Å; E578-K581 PolarHBondContact OE1-NZ 3.05Å; E578-K581 WeakPolarHBondContact OE2-CD 3.24Å; E578-K581 IonicContact OE2-NZ 2.67Å; E578-H582 PolarHBondContact O-CD2 3.31Å; E578-H582 PolarHBondContact O-N 3.16Å
579	V	97.7	Very high	96.7	Very high	20 Å²	20	52.1 Å²	52.1	12%	0.121	28%	0.283	C	S	.	.	H	α-helix	trans	-58.3	-43	174.6	179.6	0	0	0	0	110.7	V498 I575 T576 H582 T583 V596 R599	V498-V579 HydrophobicContact CG1-CG1 4.41Å; V498-V579 HydrophobicContact CG1-CG2 4.42Å; V498-V579 HydrophobicContact CG2-CB 4.35Å; V498-V579 HydrophobicContact CG2-CG1 4.24Å; I575-V579 WeakPolarHBondContact O-CG2 3.4Å; I575-V579 PolarHBondContact O-N 3.46Å; T576-V579 PolarHBondContact O-N 3.22Å; V579-H582 PolarHBondContact O-N 2.62Å; V579-T583 PolarHBondContact O-N 3.48Å; V579-T583 PolarHBondContact O-OG1 3.03Å; V579-V596 HydrophobicContact CG1-CG2 3.65Å; V579-R599 HydrophobicContact CG1-CG 4.16Å
580	F	98.1	Very high	96.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-43.2	172.8	-83.6	-70.4	0	0	0	112.9	L497 V498 L549 M552 Q553 L556 T576 N577 E578 H582 T583 K584 V596	L497-F580 HydrophobicContact CB-CZ 4.34Å; L497-F580 HydrophobicContact CD1-CZ 4.41Å; V498-F580 HydrophobicContact CG2-CD2 4.1Å; V498-F580 HydrophobicContact CG2-CE2 3.65Å; V498-F580 HydrophobicContact CG2-CZ 4.29Å; L549-F580 HydrophobicContact CD1-CD1 4.19Å; L549-F580 HydrophobicContact CD1-CE1 4.37Å; L549-F580 HydrophobicContact CD2-CD1 4.13Å; L549-F580 HydrophobicContact CG-CD1 3.8Å; L549-F580 HydrophobicContact CG-CE1 4.17Å; M552-F580 HydrophobicContact CB-CE1 4.25Å; M552-F580 HydrophobicContact CB-CZ 4.5Å; M552-F580 HydrophobicContact CG-CD1 4.07Å; M552-F580 HydrophobicContact CG-CD2 4.19Å; M552-F580 HydrophobicContact CG-CE1 3.59Å; M552-F580 HydrophobicContact CG-CE2 3.72Å; M552-F580 HydrophobicContact CG-CG 4.36Å; M552-F580 HydrophobicContact CG-CZ 3.4Å; M552-F580 HydrophobicContact SD-CE2 4.44Å; M552-F580 HydrophobicContact SD-CZ 4.48Å; Q553-F580 HydrophobicContact CB-CB 4.02Å; Q553-F580 HydrophobicContact CG-CB 3.94Å; L556-F580 HydrophobicContact CD1-CD2 3.27Å; L556-F580 HydrophobicContact CD1-CE2 3.69Å; L556-F580 HydrophobicContact CD1-CG 4.12Å; T576-F580 HydrophobicContact CG2-CD2 3.97Å; T576-F580 HydrophobicContact CG2-CE2 3.89Å; T576-F580 VanDerWaalsContact O-CD2 3.31Å; T576-F580 WeakPolarHBondContact O-CD2 3.35Å; T576-F580 PolarHBondContact O-N 2.78Å; N577-F580 PolarHBondContact O-N 3.35Å; E578-F580 VanDerWaalsContact C-N 3.29Å; E578-F580 PolarHBondContact O-N 2.91Å; F580-H582 VanDerWaalsContact C-N 3.32Å; F580-H582 PolarHBondContact O-N 3.2Å; F580-T583 PolarHBondContact O-N 3.13Å; F580-K584 VanDerWaalsContact O-CB 3.3Å; F580-K584 WeakPolarHBondContact O-CB 3.2Å; F580-K584 PolarHBondContact O-N 3.43Å; F580-V596 HydrophobicContact CD1-CB 4.19Å; F580-V596 HydrophobicContact CD1-CG2 3.98Å; F580-V596 HydrophobicContact CE1-CB 3.7Å; F580-V596 HydrophobicContact CE1-CG1 4.21Å; F580-V596 HydrophobicContact CE1-CG2 3.84Å; F580-V596 HydrophobicContact CE2-CG2 4.39Å; F580-V596 HydrophobicContact CG-CG2 4.32Å; F580-V596 HydrophobicContact CZ-CB 4.09Å; F580-V596 HydrophobicContact CZ-CG1 4.17Å; F580-V596 HydrophobicContact CZ-CG2 4.05Å
581	K	97.6	Very high	96.4	Very high	67 Å²	67	49.5 Å²	49.5	29%	0.291	26%	0.26	S	S	.	.	H	α-helix	trans	-61.5	-36.8	173.4	-71.8	167.5	-176.8	172.9	0	112.7	Q553 N577 E578 R585	Q553-K581 HydrophobicContact CG-CG 3.9Å; N577-K581 WeakPolarHBondContact ND2-CE 3.45Å; N577-K581 PolarHBondContact ND2-NZ 3.39Å; N577-K581 WeakPolarHBondContact O-CG 3.35Å; N577-K581 PolarHBondContact O-N 3.05Å; E578-K581 CarbonylContact O-C 3.31Å; E578-K581 WeakPolarHBondContact O-CB 3.23Å; E578-K581 PolarHBondContact O-N 3.42Å; E578-K581 VanDerWaalsContact O-N 3.11Å; E578-K581 WeakPolarHBondContact OE1-CD 3.35Å; E578-K581 WeakPolarHBondContact OE1-CE 3.41Å; E578-K581 IonicContact OE1-NZ 2.79Å; E578-K581 PolarHBondContact OE1-NZ 3.05Å; E578-K581 WeakPolarHBondContact OE2-CD 3.24Å; E578-K581 IonicContact OE2-NZ 2.67Å; K581-R585 WeakPolarHBondContact O-CB 3.42Å; K581-R585 WeakPolarHBondContact O-CG 3.46Å; K581-R585 PolarHBondContact O-N 3.02Å; K581-R585 PolarHBondContact O-NE 3.07Å
582	H	95.7	Very high	96.4	Very high	75 Å²	75	45.3 Å²	45.3	35%	0.347	23%	0.232	S	C	.	.	H	α-helix	trans	-65.4	-44.5	173.8	-84	-80.2	0	0	0	111.7	E578 V579 F580 R585 L586 R599	E578-H582 PolarHBondContact O-CD2 3.31Å; E578-H582 PolarHBondContact O-N 3.16Å; V579-H582 PolarHBondContact O-N 2.62Å; F580-H582 VanDerWaalsContact C-N 3.32Å; F580-H582 PolarHBondContact O-N 3.2Å; H582-R585 PolarHBondContact CD2-NH2 2.98Å; H582-R585 PolarHBondContact CE1-NH2 3.43Å; H582-R585 PolarHBondContact ND1-NH2 3.42Å; H582-R585 PolarHBondContact NE2-NH2 2.98Å; H582-R585 WeakPolarHBondContact O-CB 3.41Å; H582-R585 PolarHBondContact O-N 2.99Å; H582-L586 PolarHBondContact O-N 3.09Å; H582-L586 VanDerWaalsContact O-N 3.16Å; H582-R599 HydrophobicContact CB-CG 3.93Å
583	T	95.4	Very high	96.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.2	-40.8	177.4	-40.6	0	0	0	0	112.1	L549 V579 F580 R585 L586 Y588 A595 R599	L549-T583 HydrophobicContact CD1-CG2 3.63Å; V579-T583 PolarHBondContact O-N 3.48Å; V579-T583 PolarHBondContact O-OG1 3.03Å; F580-T583 PolarHBondContact O-N 3.13Å; T583-R585 VanDerWaalsContact C-N 3.29Å; T583-R585 PolarHBondContact O-N 3.4Å; T583-L586 WeakPolarHBondContact O-CA 3.29Å; T583-L586 WeakPolarHBondContact O-CB 3.49Å; T583-L586 PolarHBondContact O-N 3.37Å; T583-Y588 HydrophobicContact CG2-CD2 4.37Å; T583-Y588 HydrophobicContact CG2-CG 4.45Å; T583-A595 WeakPolarHBondContact CG2-O 3.28Å; T583-R599 HydrophobicContact CG2-CB 4.22Å; T583-R599 WeakPolarHBondContact OG1-CB 3.42Å
584	K	94.6	Very high	96.2	Very high	74 Å²	74	41 Å²	41	32%	0.322	21%	0.207	S	C	.	.	H	α-helix	trans	-56.1	-44.6	171.8	-168.5	-179	-178	170.7	0	111.3	L549 Q553 F580 L586 G587 S589	L549-K584 HydrophobicContact CD2-CB 3.86Å; Q553-K584 HydrophobicContact CG-CD 4.46Å; F580-K584 VanDerWaalsContact O-CB 3.3Å; F580-K584 WeakPolarHBondContact O-CB 3.2Å; F580-K584 PolarHBondContact O-N 3.43Å; K584-L586 PolarHBondContact O-N 3.27Å; K584-G587 PolarHBondContact O-N 3.21Å; K584-G587 VanDerWaalsContact O-N 3.12Å; K584-S589 WeakPolarHBondContact CG-OG 3.44Å; K584-S589 PolarHBondContact O-OG 2.91Å
585	R	92.8	Very high	96.2	Very high	138 Å²	138	38.6 Å²	38.6	52%	0.521	19%	0.189	S	C	.	.	H	α-helix	trans	-60.6	-28.1	173.3	-80.9	-176.6	-74.3	-165.4	-4	112.9	R286 K581 H582 T583 G587	R286-R585 PolarHBondContact NH1-O 3.44Å; R286-R585 PolarHBondContact NH2-O 2.91Å; K581-R585 WeakPolarHBondContact O-CB 3.42Å; K581-R585 WeakPolarHBondContact O-CG 3.46Å; K581-R585 PolarHBondContact O-N 3.02Å; K581-R585 PolarHBondContact O-NE 3.07Å; H582-R585 PolarHBondContact CD2-NH2 2.98Å; H582-R585 PolarHBondContact CE1-NH2 3.43Å; H582-R585 PolarHBondContact ND1-NH2 3.42Å; H582-R585 PolarHBondContact NE2-NH2 2.98Å; H582-R585 WeakPolarHBondContact O-CB 3.41Å; H582-R585 PolarHBondContact O-N 2.99Å; T583-R585 VanDerWaalsContact C-N 3.29Å; T583-R585 PolarHBondContact O-N 3.4Å; R585-G587 PolarHBondContact O-N 3.23Å
586	L	92	Very high	96.1	Very high	50 Å²	50	33.5 Å²	33.5	26%	0.262	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-1.2	175.8	-70.7	165.4	0	0	0	114.2	V289 H582 T583 K584 Y588 R599	V289-L586 WeakPolarHBondContact CG2-O 3.41Å; H582-L586 PolarHBondContact O-N 3.09Å; H582-L586 VanDerWaalsContact O-N 3.16Å; T583-L586 WeakPolarHBondContact O-CA 3.29Å; T583-L586 WeakPolarHBondContact O-CB 3.49Å; T583-L586 PolarHBondContact O-N 3.37Å; K584-L586 PolarHBondContact O-N 3.27Å; L586-Y588 HydrophobicContact CB-CD2 3.82Å; L586-Y588 HydrophobicContact CB-CE2 4.13Å; L586-R599 HydrophobicContact CD1-CB 4.16Å
587	G	93.1	Very high	96	Very high	38 Å²	38	33.8 Å²	33.8	39%	0.392	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.9	-11.5	178.4	0	0	0	0	0	113.9	K584 R585 S589	K584-G587 PolarHBondContact O-N 3.21Å; K584-G587 VanDerWaalsContact O-N 3.12Å; R585-G587 PolarHBondContact O-N 3.23Å; G587-S589 PolarHBondContact O-N 3.21Å
588	Y	95.1	Very high	95.8	Very high	44 Å²	44	34.4 Å²	34.4	17%	0.173	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-76.8	18.1	-175.4	-65.9	-86.7	0	0	0	115	V289 F543 L549 T583 L586 E590 H591 A595 V598	V289-Y588 HydrophobicContact CG1-CD1 4Å; V289-Y588 HydrophobicContact CG1-CD2 4.47Å; V289-Y588 HydrophobicContact CG1-CE1 3.66Å; V289-Y588 HydrophobicContact CG1-CE2 4.15Å; V289-Y588 HydrophobicContact CG1-CG 4.4Å; V289-Y588 HydrophobicContact CG2-CD2 4.49Å; V289-Y588 HydrophobicContact CG2-CE2 3.82Å; F543-Y588 HydrophobicContact CD2-CE1 4.28Å; L549-Y588 WeakPolarHBondContact CB-O 3.33Å; T583-Y588 HydrophobicContact CG2-CD2 4.37Å; T583-Y588 HydrophobicContact CG2-CG 4.45Å; L586-Y588 HydrophobicContact CB-CD2 3.82Å; L586-Y588 HydrophobicContact CB-CE2 4.13Å; Y588-E590 VanDerWaalsContact C-N 3.26Å; Y588-E590 PolarHBondContact O-N 3.14Å; Y588-H591 HydrophobicContact CD1-CB 4.1Å; Y588-H591 AromaticContact CD1-CD2 3.88Å; Y588-H591 AromaticContact CD1-CG 3.68Å; Y588-H591 AromaticContact CD1-ND1 3.83Å; Y588-H591 PolarHBondContact O-N 2.96Å; Y588-A595 HydrophobicContact CD1-CB 3.73Å; Y588-A595 HydrophobicContact CG-CB 4.03Å; Y588-V598 HydrophobicContact CD2-CG1 4.48Å; Y588-V598 HydrophobicContact CE1-CG2 4.08Å; Y588-V598 HydrophobicContact CE2-CB 4.17Å; Y588-V598 HydrophobicContact CE2-CG1 3.7Å; Y588-V598 HydrophobicContact CE2-CG2 4.31Å
589	S	95.3	Very high	95.4	Very high	30 Å²	30	35 Å²	35	21%	0.21	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-52.7	-41.9	-177	-61.2	0	0	0	0	113.6	S550 K584 G587	S550-S589 WeakPolarHBondContact CB-O 3.25Å; S550-S589 PolarHBondContact N-O 3.38Å; S550-S589 PolarHBondContact OG-O 3Å; S550-S589 VanDerWaalsContact OG-O 3.09Å; K584-S589 WeakPolarHBondContact CG-OG 3.44Å; K584-S589 PolarHBondContact O-OG 2.91Å; G587-S589 PolarHBondContact O-N 3.21Å
590	E	94.9	Very high	94.9	Very high	69 Å²	69	35.4 Å²	35.4	32%	0.322	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-98.3	-2.1	-173.2	-55.5	-63.9	99.1	0	0	113.1	R291 P292 Y588	R291-E590 HydrophobicContact CG-CB 3.9Å; R291-E590 HydrophobicContact CG-CG 4.12Å; R291-E590 IonicContact CZ-OE2 2.79Å; R291-E590 VanDerWaalsContact CZ-OE2 3.29Å; R291-E590 IonicContact NE-OE2 2.71Å; R291-E590 IonicContact NH2-OE2 2.61Å; R291-E590 PolarHBondContact NH2-OE2 3.2Å; P292-E590 HydrophobicContact CG-CB 4.47Å; P292-E590 VanDerWaalsContact CG-O 3.24Å; P292-E590 WeakPolarHBondContact CG-O 3.48Å; Y588-E590 VanDerWaalsContact C-N 3.26Å; Y588-E590 PolarHBondContact O-N 3.14Å
591	H	95.9	Very high	94.2	Very high	18 Å²	18	40 Å²	40	8%	0.083	19%	0.189	C	C	.	.	S	Bend	trans	-82	170	173.4	-64.8	71.2	0	0	0	109.7	V289 T290 F543 P548 L549 Y588 A595	V289-H591 VanDerWaalsContact CG1-CE1 3.43Å; V289-H591 WeakPolarHBondContact CG1-CE1 3.38Å; T290-H591 PolarHBondContact O-CE1 3.07Å; T290-H591 PolarHBondContact O-NE2 2.77Å; T290-H591 VanDerWaalsContact O-NE2 3.16Å; F543-H591 HydrophobicContact CB-CB 3.96Å; P548-H591 CarbonylContact C-O 3.57Å; P548-H591 WeakPolarHBondContact CA-O 3.11Å; L549-H591 PolarHBondContact N-O 3.26Å; Y588-H591 HydrophobicContact CD1-CB 4.1Å; Y588-H591 AromaticContact CD1-CD2 3.88Å; Y588-H591 AromaticContact CD1-CG 3.68Å; Y588-H591 AromaticContact CD1-ND1 3.83Å; Y588-H591 PolarHBondContact O-N 2.96Å; H591-A595 HydrophobicContact CB-CB 3.99Å
592	D	97.1	Very high	93	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-57.8	152.6	173.5	-163.7	80.5	0	0	0	113	K534 F543 Q546 Q547 S594 A595	K534-D592 WeakPolarHBondContact CE-OD2 3.29Å; K534-D592 IonicContact NZ-OD1 2.77Å; K534-D592 PolarHBondContact NZ-OD1 2.64Å; K534-D592 IonicContact NZ-OD2 3Å; K534-D592 PolarHBondContact NZ-OD2 3.41Å; F543-D592 HydrophobicContact CB-CB 4.48Å; F543-D592 PolarHBondContact O-N 3.36Å; Q546-D592 WeakPolarHBondContact CA-OD1 3.42Å; Q546-D592 WeakPolarHBondContact CB-OD1 3.39Å; Q546-D592 PolarHBondContact N-OD1 2.87Å; Q547-D592 PolarHBondContact N-OD1 3.02Å; Q547-D592 CarbonylContact O-C 3.55Å; Q547-D592 WeakPolarHBondContact O-CA 3.37Å; D592-S594 PolarHBondContact O-N 2.97Å; D592-S594 VanDerWaalsContact O-N 3.17Å; D592-S594 WeakPolarHBondContact OD2-CB 3.27Å; D592-S594 PolarHBondContact OD2-N 3.11Å; D592-S594 PolarHBondContact OD2-OG 3.21Å; D592-A595 WeakPolarHBondContact O-CB 3.49Å; D592-A595 PolarHBondContact O-N 3.31Å
593	S	97.1	Very high	92.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-57.4	-23.4	172.9	60.5	0	0	0	0	113.5	L497 Q547 A595 V596	L497-S593 WeakPolarHBondContact CD1-OG 3.2Å; Q547-S593 PolarHBondContact O-N 3.48Å; S593-A595 PolarHBondContact O-N 2.88Å; S593-V596 WeakPolarHBondContact O-CB 3.28Å; S593-V596 VanDerWaalsContact O-CG1 3.27Å; S593-V596 WeakPolarHBondContact O-CG1 3.29Å; S593-V596 PolarHBondContact O-N 3.37Å
594	S	97	Very high	92.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-61.9	-20.5	169.7	58.8	0	0	0	0	114.3	E537 D592 V596 F597	E537-S594 VanDerWaalsContact OE2-CB 3.24Å; E537-S594 WeakPolarHBondContact OE2-CB 3.46Å; E537-S594 PolarHBondContact OE2-OG 3.05Å; D592-S594 PolarHBondContact O-N 2.97Å; D592-S594 VanDerWaalsContact O-N 3.17Å; D592-S594 WeakPolarHBondContact OD2-CB 3.27Å; D592-S594 PolarHBondContact OD2-N 3.11Å; D592-S594 PolarHBondContact OD2-OG 3.21Å; S594-V596 PolarHBondContact O-N 2.83Å; S594-F597 WeakPolarHBondContact O-CB 3.48Å; S594-F597 PolarHBondContact O-N 2.77Å; S594-F597 VanDerWaalsContact O-N 3.1Å
595	A	97.1	Very high	92.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-61	-12	172.7	0	0	0	0	0	113.6	F543 L549 T583 Y588 H591 D592 S593 F597 V598	F543-A595 HydrophobicContact CB-CB 4.04Å; F543-A595 HydrophobicContact CD1-CB 3.93Å; F543-A595 HydrophobicContact CD2-CB 4.15Å; F543-A595 HydrophobicContact CE1-CB 4.42Å; F543-A595 HydrophobicContact CG-CB 3.77Å; L549-A595 HydrophobicContact CD1-CB 4Å; T583-A595 WeakPolarHBondContact CG2-O 3.28Å; Y588-A595 HydrophobicContact CD1-CB 3.73Å; Y588-A595 HydrophobicContact CG-CB 4.03Å; H591-A595 HydrophobicContact CB-CB 3.99Å; D592-A595 WeakPolarHBondContact O-CB 3.49Å; D592-A595 PolarHBondContact O-N 3.31Å; S593-A595 PolarHBondContact O-N 2.88Å; A595-F597 PolarHBondContact O-N 3.47Å; A595-F597 VanDerWaalsContact O-N 3.15Å; A595-V598 WeakPolarHBondContact O-CB 3.27Å; A595-V598 WeakPolarHBondContact O-CG2 3.42Å; A595-V598 PolarHBondContact O-N 3.19Å
596	V	97.3	Very high	92.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-53.4	-28.8	169.7	76.1	0	0	0	0	112.7	V498 A501 M538 L549 V579 F580 S593 S594 V598 R599 S600	V498-V596 HydrophobicContact CG2-CG2 3.9Å; A501-V596 HydrophobicContact CB-CG1 3.84Å; M538-V596 HydrophobicContact CE-CG1 4.24Å; L549-V596 HydrophobicContact CD1-CB 4.49Å; V579-V596 HydrophobicContact CG1-CG2 3.65Å; F580-V596 HydrophobicContact CD1-CB 4.19Å; F580-V596 HydrophobicContact CD1-CG2 3.98Å; F580-V596 HydrophobicContact CE1-CB 3.7Å; F580-V596 HydrophobicContact CE1-CG1 4.21Å; F580-V596 HydrophobicContact CE1-CG2 3.84Å; F580-V596 HydrophobicContact CE2-CG2 4.39Å; F580-V596 HydrophobicContact CG-CG2 4.32Å; F580-V596 HydrophobicContact CZ-CB 4.09Å; F580-V596 HydrophobicContact CZ-CG1 4.17Å; F580-V596 HydrophobicContact CZ-CG2 4.05Å; S593-V596 WeakPolarHBondContact O-CB 3.28Å; S593-V596 VanDerWaalsContact O-CG1 3.27Å; S593-V596 WeakPolarHBondContact O-CG1 3.29Å; S593-V596 PolarHBondContact O-N 3.37Å; S594-V596 PolarHBondContact O-N 2.83Å; V596-V598 PolarHBondContact O-N 3.04Å; V596-R599 PolarHBondContact O-N 2.86Å; V596-S600 PolarHBondContact O-N 2.89Å
597	F	96.7	Very high	92.7	Very high	10 Å²	10	38.1 Å²	38.1	4%	0.044	19%	0.186	C	C	.	.	H	α-helix	trans	-53.3	-35.1	170.1	174.3	-112.1	0	0	0	114.1	A501 L504 A505 L514 M538 F543 S594 A595 R599 S600 R601	A501-F597 HydrophobicContact CB-CB 4.17Å; L504-F597 HydrophobicContact CB-CD2 4.19Å; L504-F597 HydrophobicContact CB-CE2 3.82Å; A505-F597 HydrophobicContact CB-CD2 4.44Å; A505-F597 HydrophobicContact CB-CE2 4.13Å; L514-F597 HydrophobicContact CD1-CZ 3.89Å; M538-F597 HydrophobicContact CB-CB 4.12Å; M538-F597 HydrophobicContact CB-CD1 4.02Å; M538-F597 HydrophobicContact CB-CD2 4.4Å; M538-F597 HydrophobicContact CB-CG 3.93Å; M538-F597 HydrophobicContact CE-CB 4.33Å; M538-F597 HydrophobicContact CG-CB 3.61Å; M538-F597 HydrophobicContact CG-CD1 4.42Å; M538-F597 HydrophobicContact CG-CG 3.99Å; M538-F597 HydrophobicContact SD-CB 3.9Å; M538-F597 HydrophobicContact SD-CD2 4.49Å; M538-F597 HydrophobicContact SD-CG 4.36Å; F543-F597 HydrophobicContact CZ-CD1 4.29Å; S594-F597 WeakPolarHBondContact O-CB 3.48Å; S594-F597 PolarHBondContact O-N 2.77Å; S594-F597 VanDerWaalsContact O-N 3.1Å; A595-F597 PolarHBondContact O-N 3.47Å; A595-F597 VanDerWaalsContact O-N 3.15Å; F597-R599 PolarHBondContact O-N 3.48Å; F597-S600 PolarHBondContact O-N 3.35Å; F597-S600 VanDerWaalsContact O-N 3.1Å; F597-R601 PolarHBondContact O-N 3.43Å
598	V	93.2	Very high	92.7	Very high	18 Å²	18	38.1 Å²	38.1	11%	0.109	17%	0.172	C	C	.	.	H	α-helix	trans	-61.6	-35.4	177.6	-176.8	0	0	0	0	111	F543 Y588 A595 V596 F602	F543-V598 HydrophobicContact CD2-CG2 4.46Å; F543-V598 HydrophobicContact CE2-CG2 3.57Å; F543-V598 HydrophobicContact CZ-CG2 3.76Å; Y588-V598 HydrophobicContact CD2-CG1 4.48Å; Y588-V598 HydrophobicContact CE1-CG2 4.08Å; Y588-V598 HydrophobicContact CE2-CB 4.17Å; Y588-V598 HydrophobicContact CE2-CG1 3.7Å; Y588-V598 HydrophobicContact CE2-CG2 4.31Å; A595-V598 WeakPolarHBondContact O-CB 3.27Å; A595-V598 WeakPolarHBondContact O-CG2 3.42Å; A595-V598 PolarHBondContact O-N 3.19Å; V596-V598 PolarHBondContact O-N 3.04Å; V598-F602 HydrophobicContact CG1-CD2 4.36Å; V598-F602 HydrophobicContact CG1-CE2 4.28Å; V598-F602 VanDerWaalsContact O-CD2 3.29Å; V598-F602 WeakPolarHBondContact O-CD2 3.3Å
599	R	89.7	Confident	92.5	Very high	83 Å²	83	37.7 Å²	37.7	31%	0.313	17%	0.172	S	C	.	.	H	α-helix	trans	-75.3	-32.8	175.2	175.5	58	-168.8	102.6	-6.6	112.4	V579 H582 T583 L586 V596 F597 R601 F602	V579-R599 HydrophobicContact CG1-CG 4.16Å; H582-R599 HydrophobicContact CB-CG 3.93Å; T583-R599 HydrophobicContact CG2-CB 4.22Å; T583-R599 WeakPolarHBondContact OG1-CB 3.42Å; L586-R599 HydrophobicContact CD1-CB 4.16Å; V596-R599 PolarHBondContact O-N 2.86Å; F597-R599 PolarHBondContact O-N 3.48Å; R599-R601 VanDerWaalsContact C-N 3.32Å; R599-F602 PolarHBondContact NH1-OXT 2.91Å
600	S	87.3	Confident	92.3	Very high	29 Å²	29	38.3 Å²	38.3	20%	0.203	17%	0.169	C	C	.	.	H	α-helix	trans	-71.9	-26.5	176.9	-56.4	0	0	0	0	112.8	A505 V596 F597	A505-S600 WeakPolarHBondContact CB-O 3.16Å; V596-S600 PolarHBondContact O-N 2.89Å; F597-S600 PolarHBondContact O-N 3.35Å; F597-S600 VanDerWaalsContact O-N 3.1Å
601	R	83	Confident	92.1	Very high	98 Å²	98	35.8 Å²	35.8	37%	0.37	16%	0.157	S	C	.	.	H	α-helix	trans	-71.1	-33	-179.8	-163.4	178	-168.4	-177.4	7.8	114.1	D508 R509 F597 R599	D508-R601 VanDerWaalsContact CG-NH2 3.28Å; D508-R601 IonicContact OD1-CZ 3.28Å; D508-R601 IonicContact OD1-NE 2.72Å; D508-R601 IonicContact OD1-NH2 3.96Å; D508-R601 PolarHBondContact OD1-NH2 3.35Å; D508-R601 IonicContact OD2-CZ 3.99Å; D508-R601 VanDerWaalsContact OD2-CZ 3.28Å; D508-R601 IonicContact OD2-NE 2.62Å; D508-R601 PolarHBondContact OD2-NE 3.08Å; D508-R601 IonicContact OD2-NH2 2.77Å; D508-R601 PolarHBondContact OD2-NH2 3.34Å; R509-R601 PolarHBondContact NE-O 3.24Å; R509-R601 PolarHBondContact NH2-O 3.1Å; F597-R601 PolarHBondContact O-N 3.43Å; R599-R601 VanDerWaalsContact C-N 3.32Å
602	F	73.4	Confident	91.7	Very high	173 Å²	173	37.4 Å²	37.4	76%	0.759	16%	0.163	S	C	*	.			trans	-114	0	-172.6	-61.8	-66.7	0	0	0	113.2	V598 R599	V598-F602 HydrophobicContact CG1-CD2 4.36Å; V598-F602 HydrophobicContact CG1-CE2 4.28Å; V598-F602 VanDerWaalsContact O-CD2 3.29Å; V598-F602 WeakPolarHBondContact O-CD2 3.3Å; R599-F602 PolarHBondContact NH1-OXT 2.91Å

Retrieved 602 of 602 residues in 323.3 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).