A0A5K4FC35_SCHMA Loading...

Complex I-49kD AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FC35, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 460 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	30.7	Very low	32.5	Very low	244 Å²	244	178.5 Å²	178.5	100%	1.202	89%	0.887	S	S	*	*				0	140.8	0	-80.7	-179.8	175	0	0	107.5
2	M	29.5	Very low	32.6	Very low	179 Å²	179	173.7 Å²	173.7	88%	0.882	88%	0.881	S	S	*	*			trans	86.7	102.3	-175.8	-61.6	-170.1	174.9	0	0	117.7
3	T	32.8	Very low	33	Very low	128 Å²	128	174.5 Å²	174.5	79%	0.785	88%	0.875	S	S	*	*			trans	64.3	93.9	132.8	60	0	0	0	0	120.1
4	C	33	Very low	33.3	Very low	144 Å²	144	172.1 Å²	172.1	97%	0.973	87%	0.867	S	S	*	*			trans	-137.2	87.8	139.9	-105.1	0	0	0	0	109
5	R	30.1	Very low	33.7	Very low	237 Å²	237	165.7 Å²	165.7	89%	0.894	85%	0.85	S	S	*	*			trans	-96	143.4	165.1	-92.7	-179.1	172.7	176.1	-2	107.6
6	R	31	Very low	33.9	Very low	240 Å²	240	162 Å²	162	91%	0.906	84%	0.838	S	S	*	*			trans	95.5	95.6	166.7	-58.6	175.9	175.8	175.7	-1.3	114.8
7	L	32.6	Very low	34.2	Very low	170 Å²	170	161.5 Å²	161.5	89%	0.89	83%	0.83	S	S	*	*				-173.2	72.1	128.9	-92.9	163.3	0	0	0	107.2
8	F	31.4	Very low	34.4	Very low	214 Å²	214	160.5 Å²	160.5	94%	0.939	83%	0.826	S	S	*	*			trans	-93.2	102.6	168.7	-107.8	-89.1	0	0	0	107.4
9	N	36.9	Very low	34.5	Very low	136 Å²	136	156.6 Å²	156.6	73%	0.727	81%	0.814	S	S	*	*			trans	-94.1	149.4	170.8	-116.6	-10.1	0	0	0	110.2	L11	N9-L11 PolarHBondContact O-N 2.98Å
10	P	34.5	Very low	34.7	Very low	112 Å²	112	156.9 Å²	156.9	73%	0.727	81%	0.809	S	S	*	*			trans	-89	91.5	-159.9	35.1	-33	0	0	0	111.6
11	L	34.8	Very low	34.9	Very low	159 Å²	159	160.5 Å²	160.5	83%	0.832	81%	0.812	S	S	*	*			trans	-124.2	23.9	174.2	-75.2	169.7	0	0	0	113.8	N9 K13	N9-L11 PolarHBondContact O-N 2.98Å; L11-K13 VanDerWaalsContact C-N 3.29Å; L11-K13 PolarHBondContact O-N 3.23Å
12	C	33.9	Very low	35.1	Very low	121 Å²	121	155.8 Å²	155.8	82%	0.818	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	27.6	173.4	-69.4	0	0	0	0	114.4
13	K	38	Very low	35.6	Very low	184 Å²	184	153 Å²	153	80%	0.8	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-11.2	178.8	-79.1	-173.4	175.9	-179.8	0	115.3	L11	L11-K13 VanDerWaalsContact C-N 3.29Å; L11-K13 PolarHBondContact O-N 3.23Å
14	N	37.3	Very low	35.9	Very low	142 Å²	142	153.6 Å²	153.6	76%	0.759	78%	0.781	S	S	*	*	S	Bend	trans	-101.5	2.9	-176.7	-68.4	-7.8	0	0	0	114.8	V16	N14-V16 PolarHBondContact O-N 3.2Å
15	A	38.5	Very low	36.1	Very low	75 Å²	75	152.9 Å²	152.9	62%	0.62	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-73.9	-1.2	175.9	0	0	0	0	0	114.1	H17	A15-H17 VanDerWaalsContact C-N 3.32Å; A15-H17 PolarHBondContact O-N 3.43Å
16	V	38.4	Very low	36.2	Very low	107 Å²	107	151.2 Å²	151.2	65%	0.648	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-79.1	-12.1	-175.1	-173.6	0	0	0	0	112.8	N14 S19	N14-V16 PolarHBondContact O-N 3.2Å; V16-S19 PolarHBondContact O-OG 3.32Å
17	H	37.8	Very low	36.9	Very low	153 Å²	153	142.7 Å²	142.7	71%	0.708	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-87.3	-9.3	179.8	-88.7	-66.6	0	0	0	115.4	A15	A15-H17 VanDerWaalsContact C-N 3.32Å; A15-H17 PolarHBondContact O-N 3.43Å
18	L	38.4	Very low	37.4	Very low	144 Å²	144	140.9 Å²	140.9	75%	0.754	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-84.1	-14.3	-179.8	-95	145.9	0	0	0	114.2
19	S	37.1	Very low	38	Very low	87 Å²	87	138.4 Å²	138.4	61%	0.608	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-84.4	-7	-178.6	59	0	0	0	0	114.3	V16	V16-S19 PolarHBondContact O-OG 3.32Å
20	K	37.9	Very low	38	Very low	162 Å²	162	142.7 Å²	142.7	70%	0.704	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-89.9	-4.2	-171.7	-115.6	178.9	-178.5	179.2	0	116
21	W	39.6	Very low	38.5	Very low	233 Å²	233	144 Å²	144	88%	0.883	77%	0.771	S	S	*	*	S	Bend	trans	-116.8	6.2	-176.8	-70.5	92.7	0	0	0	114.1	T23	W21-T23 VanDerWaalsContact C-N 3.32Å; W21-T23 PolarHBondContact O-N 2.9Å
22	L	35	Very low	39.2	Very low	144 Å²	144	142 Å²	142	75%	0.754	77%	0.77	S	S	*	*			trans	-93.1	51.1	174.6	-86.9	153.7	0	0	0	111.3	I24	L22-I24 PolarHBondContact O-N 2.99Å
23	T	38.9	Very low	40.8	Very low	120 Å²	120	141.9 Å²	141.9	74%	0.736	77%	0.77	S	S	*	*			trans	-92.2	103.2	172.2	-27.3	0	0	0	0	108.8	W21 C25	W21-T23 VanDerWaalsContact C-N 3.32Å; W21-T23 PolarHBondContact O-N 2.9Å; T23-C25 PolarHBondContact O-N 3.5Å; T23-C25 VanDerWaalsContact O-N 3.1Å
24	I	39	Very low	42.5	Very low	141 Å²	141	144 Å²	144	72%	0.723	77%	0.773	S	S	*	*			trans	-59.6	105.5	178.6	-64.3	163.1	0	0	0	109.5	L22 K26	L22-I24 PolarHBondContact O-N 2.99Å; I24-K26 HydrophobicContact CG2-CG 4.19Å; I24-K26 PolarHBondContact O-N 3.44Å; I24-K26 VanDerWaalsContact O-N 3.09Å
25	C	36.4	Very low	44.7	Very low	129 Å²	129	145.2 Å²	145.2	87%	0.872	77%	0.767	S	S	*	*			trans	-68.9	100.2	166.3	-70.1	0	0	0	0	109.3	T23 G27	T23-C25 PolarHBondContact O-N 3.5Å; T23-C25 VanDerWaalsContact O-N 3.1Å; C25-G27 PolarHBondContact O-N 3.21Å
26	K	33.1	Very low	46.8	Very low	203 Å²	203	146.3 Å²	146.3	88%	0.883	77%	0.766	S	S	*	*			trans	-81	99.1	163.7	-73.3	-175.5	176.5	178.8	0	108.5	I24	I24-K26 HydrophobicContact CG2-CG 4.19Å; I24-K26 PolarHBondContact O-N 3.44Å; I24-K26 VanDerWaalsContact O-N 3.09Å
27	G	45	Very low	48.9	Very low	60 Å²	60	143.7 Å²	143.7	62%	0.619	75%	0.751	S	S	*	*			trans	-163.5	134.8	172	0	0	0	0	0	110.8	C25 I29	C25-G27 PolarHBondContact O-N 3.21Å; G27-I29 PolarHBondContact O-N 3.31Å
28	P	43.1	Very low	51.1	Low	133 Å²	133	141.6 Å²	141.6	86%	0.864	75%	0.745	S	S	*	*			trans	-89.3	98.7	-171.5	33.8	-28.8	0	0	0	109.8
29	I	45	Very low	53.3	Low	161 Å²	161	142.7 Å²	142.7	83%	0.826	74%	0.744	S	S	*	*			trans	-137.8	135.1	169.8	-54.9	178.7	0	0	0	110.2	G27	G27-I29 PolarHBondContact O-N 3.31Å
30	R	37.1	Very low	55.3	Low	227 Å²	227	146.5 Å²	146.5	86%	0.857	75%	0.75	S	S	*	*			trans	-73.7	150	-161.9	-64.1	163.1	169.9	179.6	-4.5	112.9	C32	R30-C32 PolarHBondContact O-N 3.1Å
31	C	45.1	Very low	57.3	Low	138 Å²	138	142.8 Å²	142.8	93%	0.932	73%	0.733	S	S	*	*	S	Bend	trans	59.3	25.9	162.4	-62.9	0	0	0	0	119.9
32	C	48.3	Very low	59.2	Low	119 Å²	119	136 Å²	136	80%	0.804	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-96.6	127.4	167.3	-70.3	0	0	0	0	110.6	R30	R30-C32 PolarHBondContact O-N 3.1Å
33	S	67.5	Low	61.2	Low	117 Å²	117	131.8 Å²	131.8	82%	0.818	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-63.3	143.7	169.4	48.7	0	0	0	0	109.7	W35	S33-W35 PolarHBondContact O-N 3.34Å
34	R	74.7	Confident	62.8	Low	228 Å²	228	131.8 Å²	131.8	86%	0.86	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-57.6	130.3	172.3	-178.6	175	-177.6	166.6	0.5	108.2	V36	R34-V36 WeakPolarHBondContact O-CG2 3.31Å; R34-V36 PolarHBondContact O-N 3.45Å
35	W	82.5	Confident	64.4	Low	168 Å²	168	128.5 Å²	128.5	64%	0.636	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-58.1	125.4	173.9	-175.8	87.3	0	0	0	109.5	S33 P37 F41	S33-W35 PolarHBondContact O-N 3.34Å; W35-P37 HydrophobicContact CH2-CB 3.91Å; W35-P37 HydrophobicContact CZ3-CB 4.18Å; W35-F41 HydrophobicContact CH2-CD1 4.13Å; W35-F41 AromaticContact CH2-CD2 3.9Å; W35-F41 HydrophobicContact CH2-CD2 3.9Å; W35-F41 HydrophobicContact CH2-CE1 4.12Å; W35-F41 AromaticContact CH2-CE2 3.94Å; W35-F41 HydrophobicContact CH2-CE2 3.94Å; W35-F41 AromaticContact CH2-CG 3.98Å; W35-F41 HydrophobicContact CH2-CG 3.98Å; W35-F41 HydrophobicContact CH2-CZ 4.04Å; W35-F41 HydrophobicContact CZ2-CD2 4.23Å; W35-F41 HydrophobicContact CZ2-CG 4.35Å
36	V	82	Confident	65.9	Low	99 Å²	99	128.1 Å²	128.1	60%	0.6	65%	0.65	S	S	*	*			trans	-117.8	138.2	173.7	-173	0	0	0	0	105.8	R34 D38	R34-V36 WeakPolarHBondContact O-CG2 3.31Å; R34-V36 PolarHBondContact O-N 3.45Å; V36-D38 PolarHBondContact O-N 3.09Å
37	P	82.7	Confident	67.4	Low	52 Å²	52	124.5 Å²	124.5	34%	0.338	64%	0.636	S	S	.	*			trans	-57.8	125.3	179.3	21	-33.4	0	0	0	112.2	W35 F41 M42	W35-P37 HydrophobicContact CH2-CB 3.91Å; W35-P37 HydrophobicContact CZ3-CB 4.18Å; P37-F41 HydrophobicContact CB-CB 4.24Å; P37-F41 HydrophobicContact CB-CD1 3.24Å; P37-F41 HydrophobicContact CB-CE1 3.79Å; P37-F41 HydrophobicContact CB-CG 3.99Å; P37-F41 HydrophobicContact CG-CD1 4.45Å; P37-M42 HydrophobicContact CB-CG 4.42Å; P37-M42 HydrophobicContact CB-SD 4.09Å; P37-M42 HydrophobicContact CG-SD 4.2Å
38	D	85.2	Confident	68.2	Low	108 Å²	108	125.6 Å²	125.6	58%	0.578	63%	0.634	S	S	*	*			trans	-73.7	163.6	175.2	-68.5	-30.1	0	0	0	111.5	V36 K40 F41 M42	V36-D38 PolarHBondContact O-N 3.09Å; D38-K40 PolarHBondContact O-N 3.41Å; D38-K40 VanDerWaalsContact O-N 3.13Å; D38-F41 WeakPolarHBondContact O-CA 3.41Å; D38-F41 WeakPolarHBondContact O-CB 3.24Å; D38-F41 PolarHBondContact O-N 3.03Å; D38-M42 PolarHBondContact O-N 3.32Å
39	K	84.2	Confident	69.1	Low	167 Å²	167	125.9 Å²	125.9	73%	0.726	63%	0.628	S	S	*	*	H	α-helix	trans	-50.5	-40	175.3	-175.1	178.8	176.7	-176.3	0	112.5	F41 M42 D43	K39-F41 PolarHBondContact O-N 3.34Å; K39-M42 PolarHBondContact O-N 3.39Å; K39-D43 WeakPolarHBondContact CG-OD2 3.41Å; K39-D43 WeakPolarHBondContact O-CB 3.47Å; K39-D43 VanDerWaalsContact O-CG 3.28Å; K39-D43 PolarHBondContact O-N 3.32Å
40	K	79.1	Confident	69.8	Low	168 Å²	168	123.6 Å²	123.6	73%	0.73	61%	0.609	S	S	*	*	H	α-helix	trans	-59.9	-45.3	176.3	-66.8	-177.4	177.8	179.7	0	112.3	D38 M42 D43 E44	D38-K40 PolarHBondContact O-N 3.41Å; D38-K40 VanDerWaalsContact O-N 3.13Å; K40-M42 VanDerWaalsContact C-N 3.33Å; K40-M42 PolarHBondContact O-N 2.92Å; K40-D43 PolarHBondContact O-N 3.13Å; K40-E44 WeakPolarHBondContact O-CG 3.41Å; K40-E44 PolarHBondContact O-N 3.29Å
41	F	80.2	Confident	70.8	Confident	83 Å²	83	118.3 Å²	118.3	36%	0.364	60%	0.598	S	S	.	*	H	α-helix	trans	-65.3	-38.1	176.6	-178.5	-90.3	0	0	0	111.7	W35 P37 D38 K39 L45	W35-F41 HydrophobicContact CH2-CD1 4.13Å; W35-F41 AromaticContact CH2-CD2 3.9Å; W35-F41 HydrophobicContact CH2-CD2 3.9Å; W35-F41 HydrophobicContact CH2-CE1 4.12Å; W35-F41 AromaticContact CH2-CE2 3.94Å; W35-F41 HydrophobicContact CH2-CE2 3.94Å; W35-F41 AromaticContact CH2-CG 3.98Å; W35-F41 HydrophobicContact CH2-CG 3.98Å; W35-F41 HydrophobicContact CH2-CZ 4.04Å; W35-F41 HydrophobicContact CZ2-CD2 4.23Å; W35-F41 HydrophobicContact CZ2-CG 4.35Å; P37-F41 HydrophobicContact CB-CB 4.24Å; P37-F41 HydrophobicContact CB-CD1 3.24Å; P37-F41 HydrophobicContact CB-CE1 3.79Å; P37-F41 HydrophobicContact CB-CG 3.99Å; P37-F41 HydrophobicContact CG-CD1 4.45Å; D38-F41 WeakPolarHBondContact O-CA 3.41Å; D38-F41 WeakPolarHBondContact O-CB 3.24Å; D38-F41 PolarHBondContact O-N 3.03Å; K39-F41 PolarHBondContact O-N 3.34Å; F41-L45 HydrophobicContact CD1-CD1 3.81Å; F41-L45 HydrophobicContact CE1-CD1 3.32Å; F41-L45 HydrophobicContact CE1-CG 4.15Å; F41-L45 HydrophobicContact CZ-CD1 4.07Å; F41-L45 WeakPolarHBondContact O-CB 3.34Å; F41-L45 PolarHBondContact O-N 3.26Å
42	M	79.2	Confident	71.3	Confident	90 Å²	90	116.8 Å²	116.8	44%	0.443	59%	0.586	S	S	.	*	H	α-helix	trans	-68.7	-35.1	176.6	-65.2	-61.8	-70.5	0	0	112.6	P37 D38 K39 K40 L45 K46	P37-M42 HydrophobicContact CB-CG 4.42Å; P37-M42 HydrophobicContact CB-SD 4.09Å; P37-M42 HydrophobicContact CG-SD 4.2Å; D38-M42 PolarHBondContact O-N 3.32Å; K39-M42 PolarHBondContact O-N 3.39Å; K40-M42 VanDerWaalsContact C-N 3.33Å; K40-M42 PolarHBondContact O-N 2.92Å; M42-L45 PolarHBondContact O-N 3.22Å; M42-L45 HydrophobicContact SD-CD1 4.44Å; M42-K46 WeakPolarHBondContact O-CG 3.24Å; M42-K46 PolarHBondContact O-N 3.18Å
43	D	77.2	Confident	71.7	Confident	57 Å²	57	114.9 Å²	114.9	31%	0.305	58%	0.579	S	S	.	*	H	α-helix	trans	-74	-39.1	176.9	-68.7	-25	0	0	0	111	K39 K40 L45 K46 E47	K39-D43 WeakPolarHBondContact CG-OD2 3.41Å; K39-D43 WeakPolarHBondContact O-CB 3.47Å; K39-D43 VanDerWaalsContact O-CG 3.28Å; K39-D43 PolarHBondContact O-N 3.32Å; K40-D43 PolarHBondContact O-N 3.13Å; D43-L45 VanDerWaalsContact C-N 3.33Å; D43-L45 PolarHBondContact O-N 3.2Å; D43-K46 WeakPolarHBondContact O-CB 3.38Å; D43-K46 PolarHBondContact O-N 3.06Å; D43-K46 IonicContact OD1-NZ 3.66Å; D43-E47 WeakPolarHBondContact O-CG 3.48Å; D43-E47 PolarHBondContact O-N 2.65Å
44	E	71.5	Confident	71.1	Confident	120 Å²	120	112.6 Å²	112.6	56%	0.561	56%	0.56	S	S	*	*	H	α-helix	trans	-63.3	-36.2	169.6	-72.9	170.8	-166.1	0	0	112.4	K40 E47 S48	K40-E44 WeakPolarHBondContact O-CG 3.41Å; K40-E44 PolarHBondContact O-N 3.29Å; E44-E47 PolarHBondContact O-N 2.83Å; E44-S48 VanDerWaalsContact O-CB 3.29Å; E44-S48 WeakPolarHBondContact O-CB 3.23Å; E44-S48 PolarHBondContact O-N 2.9Å; E44-S48 PolarHBondContact O-OG 2.88Å
45	L	72.5	Confident	70.1	Confident	71 Å²	71	105.8 Å²	105.8	37%	0.372	54%	0.544	S	S	.	.	H	α-helix	trans	-64.6	-42.5	171.7	-102.3	170.7	0	0	0	111.9	F41 M42 D43 E47 S48 L49	F41-L45 HydrophobicContact CD1-CD1 3.81Å; F41-L45 HydrophobicContact CE1-CD1 3.32Å; F41-L45 HydrophobicContact CE1-CG 4.15Å; F41-L45 HydrophobicContact CZ-CD1 4.07Å; F41-L45 WeakPolarHBondContact O-CB 3.34Å; F41-L45 PolarHBondContact O-N 3.26Å; M42-L45 PolarHBondContact O-N 3.22Å; M42-L45 HydrophobicContact SD-CD1 4.44Å; D43-L45 VanDerWaalsContact C-N 3.33Å; D43-L45 PolarHBondContact O-N 3.2Å; L45-E47 VanDerWaalsContact C-N 3.34Å; L45-S48 VanDerWaalsContact CA-OG 3.32Å; L45-S48 WeakPolarHBondContact CA-OG 3.32Å; L45-S48 PolarHBondContact O-N 2.81Å; L45-S48 PolarHBondContact O-OG 3.16Å; L45-S48 VanDerWaalsContact O-OG 3.09Å; L45-L49 WeakPolarHBondContact O-CD1 3.42Å; L45-L49 VanDerWaalsContact O-CG 3.24Å; L45-L49 WeakPolarHBondContact O-CG 3.49Å; L45-L49 PolarHBondContact O-N 2.85Å; L45-L49 VanDerWaalsContact O-N 3.08Å
46	K	67.6	Low	68.8	Low	122 Å²	122	106.9 Å²	106.9	53%	0.53	55%	0.553	S	S	.	*	H	α-helix	trans	-60.5	-46.6	173.7	-77.5	173.5	-177.1	169.7	0	110.4	M42 D43 S48 L49 Y50	M42-K46 WeakPolarHBondContact O-CG 3.24Å; M42-K46 PolarHBondContact O-N 3.18Å; D43-K46 WeakPolarHBondContact O-CB 3.38Å; D43-K46 PolarHBondContact O-N 3.06Å; D43-K46 IonicContact OD1-NZ 3.66Å; K46-S48 PolarHBondContact O-N 3.4Å; K46-L49 PolarHBondContact O-N 2.9Å; K46-Y50 WeakPolarHBondContact O-CD2 3.31Å; K46-Y50 WeakPolarHBondContact O-CE2 3.48Å
47	E	64.7	Low	67.6	Low	126 Å²	126	104.6 Å²	104.6	59%	0.589	54%	0.544	S	S	*	.	H	α-helix	trans	-64.7	-37.2	179.4	-72.5	175.1	-174.7	0	0	113	D43 E44 L45 Y50	D43-E47 WeakPolarHBondContact O-CG 3.48Å; D43-E47 PolarHBondContact O-N 2.65Å; E44-E47 PolarHBondContact O-N 2.83Å; L45-E47 VanDerWaalsContact C-N 3.34Å; E47-Y50 PolarHBondContact O-N 3.09Å
48	S	61.8	Low	66.3	Low	84 Å²	84	110.3 Å²	110.3	59%	0.587	57%	0.572	S	S	*	*	H	α-helix	trans	-78.7	-18.3	-179.9	58	0	0	0	0	114.9	E44 L45 K46 Y50	E44-S48 VanDerWaalsContact O-CB 3.29Å; E44-S48 WeakPolarHBondContact O-CB 3.23Å; E44-S48 PolarHBondContact O-N 2.9Å; E44-S48 PolarHBondContact O-OG 2.88Å; L45-S48 VanDerWaalsContact CA-OG 3.32Å; L45-S48 WeakPolarHBondContact CA-OG 3.32Å; L45-S48 PolarHBondContact O-N 2.81Å; L45-S48 PolarHBondContact O-OG 3.16Å; L45-S48 VanDerWaalsContact O-OG 3.09Å; K46-S48 PolarHBondContact O-N 3.4Å; S48-Y50 PolarHBondContact O-N 3.19Å
49	L	62.2	Low	64.9	Low	138 Å²	138	109.5 Å²	109.5	72%	0.723	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-15.5	168.7	-74.8	165.7	0	0	0	112.4	L45 K46	L45-L49 WeakPolarHBondContact O-CD1 3.42Å; L45-L49 VanDerWaalsContact O-CG 3.24Å; L45-L49 WeakPolarHBondContact O-CG 3.49Å; L45-L49 PolarHBondContact O-N 2.85Å; L45-L49 VanDerWaalsContact O-N 3.08Å; K46-L49 PolarHBondContact O-N 2.9Å
50	Y	59.4	Low	63.5	Low	113 Å²	113	107.1 Å²	107.1	44%	0.443	57%	0.571	S	S	.	*	S	Bend	trans	-98.7	142.4	176.5	-60.9	-72.6	0	0	0	111.4	K46 E47 S48	K46-Y50 WeakPolarHBondContact O-CD2 3.31Å; K46-Y50 WeakPolarHBondContact O-CE2 3.48Å; E47-Y50 PolarHBondContact O-N 3.09Å; S48-Y50 PolarHBondContact O-N 3.19Å
51	N	58.6	Low	62.4	Low	117 Å²	117	104.3 Å²	104.3	63%	0.626	57%	0.568	S	S	*	*			trans	-58.1	133.6	171.6	-110.8	-26.3	0	0	0	109.4	A53 V54 V55	N51-A53 PolarHBondContact O-N 3.21Å; N51-V54 HydrophobicContact CB-CB 4.38Å; N51-V54 HydrophobicContact CB-CG2 3.75Å; N51-V54 WeakPolarHBondContact O-CA 3.24Å; N51-V54 WeakPolarHBondContact O-CB 3.34Å; N51-V54 PolarHBondContact O-N 3.44Å; N51-V55 PolarHBondContact O-N 3.31Å
52	P	56.7	Low	61.3	Low	105 Å²	105	105.8 Å²	105.8	68%	0.682	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-14.5	-179.2	24	-33.4	0	0	0	113.5
53	A	56.9	Low	60.1	Low	79 Å²	79	105.8 Å²	105.8	65%	0.653	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-27.3	169.8	0	0	0	0	0	113.5	N51	N51-A53 PolarHBondContact O-N 3.21Å
54	V	54.4	Low	59.2	Low	70 Å²	70	110.5 Å²	110.5	42%	0.424	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.5	-31.4	-178.1	-178.6	0	0	0	0	111.2	N51 K56 A57 T59	N51-V54 HydrophobicContact CB-CB 4.38Å; N51-V54 HydrophobicContact CB-CG2 3.75Å; N51-V54 WeakPolarHBondContact O-CA 3.24Å; N51-V54 WeakPolarHBondContact O-CB 3.34Å; N51-V54 PolarHBondContact O-N 3.44Å; V54-K56 VanDerWaalsContact C-N 3.29Å; V54-K56 PolarHBondContact O-N 3.31Å; V54-A57 PolarHBondContact O-N 2.89Å; V54-T59 PolarHBondContact O-OG1 3.33Å
55	V	53.7	Low	58.4	Low	84 Å²	84	110.1 Å²	110.1	51%	0.509	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70	-23.7	177	-176.5	0	0	0	0	112.6	N51	N51-V55 PolarHBondContact O-N 3.31Å
56	K	54.8	Low	57.8	Low	191 Å²	191	116 Å²	116	83%	0.83	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-18.2	175.2	-81.8	-175.5	176.2	-179.5	0	114	V54	V54-K56 VanDerWaalsContact C-N 3.29Å; V54-K56 PolarHBondContact O-N 3.31Å
57	A	56.3	Low	57.4	Low	51 Å²	51	118.3 Å²	118.3	42%	0.421	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.9	136.3	168.5	0	0	0	0	0	107.5	V54 T59	V54-A57 PolarHBondContact O-N 2.89Å; A57-T59 PolarHBondContact O-N 3.09Å; A57-T59 PolarHBondContact O-OG1 3.22Å
58	N	56.2	Low	57.2	Low	173 Å²	173	117.7 Å²	117.7	93%	0.925	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	42.5	173.9	-75.6	-19.4	0	0	0	112.5	T60	N58-T60 PolarHBondContact O-N 2.8Å
59	T	55.3	Low	57.2	Low	90 Å²	90	119 Å²	119	55%	0.552	65%	0.646	S	S	*	*			trans	-73.6	105.2	171.9	23.7	0	0	0	0	108.1	V54 A57 V61	V54-T59 PolarHBondContact O-OG1 3.33Å; A57-T59 PolarHBondContact O-N 3.09Å; A57-T59 PolarHBondContact O-OG1 3.22Å; T59-V61 PolarHBondContact O-N 2.76Å
60	T	56.3	Low	57.4	Low	118 Å²	118	116.2 Å²	116.2	72%	0.724	64%	0.638	S	S	*	*			trans	-50.2	131.3	165.8	41.3	0	0	0	0	108.8	N58 Q62	N58-T60 PolarHBondContact O-N 2.8Å; T60-Q62 VanDerWaalsContact C-N 3.35Å; T60-Q62 PolarHBondContact O-N 3.2Å
61	V	55.6	Low	57.9	Low	109 Å²	109	119.3 Å²	119.3	66%	0.661	66%	0.656	S	S	*	*			trans	-61.1	101.6	171.7	-179.2	0	0	0	0	106.5	T59	T59-V61 PolarHBondContact O-N 2.76Å
62	Q	56.1	Low	58.5	Low	114 Å²	114	121.4 Å²	121.4	53%	0.533	66%	0.662	S	S	.	*			trans	-64.5	129.9	173.5	-68.5	-162.4	-23.6	0	0	107.2	T60 N68	T60-Q62 VanDerWaalsContact C-N 3.35Å; T60-Q62 PolarHBondContact O-N 3.2Å; Q62-N68 PolarHBondContact NE2-OD1 3.22Å; Q62-N68 PolarHBondContact OE1-ND2 2.93Å; Q62-N68 PolarHBondContact OE1-OD1 3.32Å; Q62-N68 VanDerWaalsContact OE1-OD1 3.11Å
63	P	53.9	Low	59.3	Low	90 Å²	90	124.8 Å²	124.8	58%	0.584	67%	0.669	S	S	*	*			trans	-54.1	150	171.1	23.3	-30.8	0	0	0	108.9	D65	P63-D65 PolarHBondContact O-N 3.29Å
64	I	59.5	Low	60.2	Low	156 Å²	156	126.5 Å²	126.5	80%	0.8	67%	0.671	S	S	*	*	S	Bend	trans	-73.7	48.5	172.2	-48.4	163.4	0	0	0	108.6	F66	I64-F66 HydrophobicContact CG2-CE2 4.46Å
65	D	55.1	Low	61.4	Low	111 Å²	111	131.4 Å²	131.4	59%	0.594	69%	0.689	S	S	*	*			trans	-84.8	114.5	164.2	-70	-22.1	0	0	0	104.8	P63 F67	P63-D65 PolarHBondContact O-N 3.29Å; D65-F67 PolarHBondContact O-N 3.27Å
66	F	58.6	Low	63	Low	194 Å²	194	129.2 Å²	129.2	85%	0.851	68%	0.678	S	S	*	*	S	Bend	trans	-57.8	-3.1	174.7	-76.7	-87.5	0	0	0	113.3	I64	I64-F66 HydrophobicContact CG2-CE2 4.46Å
67	F	60	Low	64.8	Low	171 Å²	171	124.4 Å²	124.4	75%	0.75	66%	0.664	S	S	*	*			trans	-106	79.8	177.9	-55.6	-76.8	0	0	0	110.1	D65 V69	D65-F67 PolarHBondContact O-N 3.27Å; F67-V69 VanDerWaalsContact C-N 3.28Å; F67-V69 HydrophobicContact CB-CG2 4.42Å; F67-V69 PolarHBondContact O-N 2.8Å
68	N	59.9	Low	66.6	Low	113 Å²	113	127.5 Å²	127.5	60%	0.604	67%	0.669	S	S	*	*			trans	-64.8	98.1	157	-112.1	-24.6	0	0	0	106.7	Q62 S70	Q62-N68 PolarHBondContact NE2-OD1 3.22Å; Q62-N68 PolarHBondContact OE1-ND2 2.93Å; Q62-N68 PolarHBondContact OE1-OD1 3.32Å; Q62-N68 VanDerWaalsContact OE1-OD1 3.11Å; N68-S70 PolarHBondContact O-N 3.36Å
69	V	61.6	Low	68.3	Low	111 Å²	111	122.6 Å²	122.6	67%	0.673	64%	0.643	S	S	*	*			trans	-74.4	77.2	177	-171.8	0	0	0	0	108	F67 H71	F67-V69 VanDerWaalsContact C-N 3.28Å; F67-V69 HydrophobicContact CB-CG2 4.42Å; F67-V69 PolarHBondContact O-N 2.8Å; V69-H71 PolarHBondContact O-N 3.13Å
70	S	67	Low	70.2	Confident	80 Å²	80	122.6 Å²	122.6	56%	0.559	64%	0.639	S	S	*	*			trans	-71.4	111.5	160.4	56.4	0	0	0	0	106.9	N68 Q72	N68-S70 PolarHBondContact O-N 3.36Å; S70-Q72 PolarHBondContact O-N 2.99Å
71	H	70.6	Confident	71.9	Confident	178 Å²	178	117.5 Å²	117.5	82%	0.824	61%	0.607	S	S	*	*			trans	-61	104.5	164.3	-74.8	-80.9	0	0	0	107.5	V69	V69-H71 PolarHBondContact O-N 3.13Å
72	Q	70.5	Confident	73.5	Confident	161 Å²	161	113.2 Å²	113.2	75%	0.752	59%	0.586	S	S	*	*			trans	-87.7	118	169.9	-69.1	-177.2	-7.6	0	0	107.3	S70 V74	S70-Q72 PolarHBondContact O-N 2.99Å; Q72-V74 PolarHBondContact O-N 3.38Å
73	E	73.7	Confident	75	Confident	177 Å²	177	110.6 Å²	110.6	83%	0.827	58%	0.578	S	S	*	*			trans	-70.8	114.1	167.9	-68.4	-178.9	175	0	0	107.8	Q75	E73-Q75 PolarHBondContact O-N 3.02Å
74	V	75.4	Confident	76.9	Confident	114 Å²	114	115.3 Å²	115.3	69%	0.691	59%	0.592	S	S	*	*			trans	-70.4	112.1	173.1	-179.3	0	0	0	0	107.3	Q72 S76	Q72-V74 PolarHBondContact O-N 3.38Å; V74-S76 PolarHBondContact O-N 3.33Å
75	Q	79.9	Confident	78.4	Confident	174 Å²	174	111.6 Å²	111.6	81%	0.813	57%	0.572	S	S	*	*			trans	-83.7	99.8	175.9	-68	-175.5	-6.6	0	0	109.2	E73	E73-Q75 PolarHBondContact O-N 3.02Å
76	S	87.5	Confident	80.2	Confident	37 Å²	37	111.5 Å²	111.5	26%	0.259	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-79.7	152.1	167.6	52.7	0	0	0	0	110.8	V74 L98	V74-S76 PolarHBondContact O-N 3.33Å; S76-L98 WeakPolarHBondContact CA-O 3.45Å
77	V	92	Very high	81.7	Confident	90 Å²	90	102.5 Å²	102.5	55%	0.545	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.8	175.1	178.1	0	0	0	0	108.7	L98	V77-L98 PolarHBondContact N-O 2.76Å; V77-L98 PolarHBondContact O-N 3.22Å
78	H	93.2	Very high	83	Confident	116 Å²	116	94.3 Å²	94.3	54%	0.537	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	123.9	171.8	-61.4	-77.2	0	0	0	110.4	M96 E97	H78-M96 CarbonylContact C-O 3.59Å; H78-M96 WeakPolarHBondContact CA-O 3.45Å; H78-E97 IonicContact CE1-OE1 2.93Å; H78-E97 PolarHBondContact CE1-OE1 2.76Å; H78-E97 VanDerWaalsContact CE1-OE1 3.29Å; H78-E97 WeakPolarHBondContact ND1-CG 3.36Å; H78-E97 IonicContact ND1-OE1 3.77Å
79	L	93.6	Very high	84.3	Confident	70 Å²	70	91.9 Å²	91.9	37%	0.366	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.1	179.2	-172.5	142.3	0	0	0	111	M96 L98	L79-M96 HydrophobicContact CD2-CE 3.5Å; L79-M96 VanDerWaalsContact CD2-CE 3.5Å; L79-M96 PolarHBondContact N-O 3.31Å; L79-M96 PolarHBondContact O-N 3.47Å; L79-L98 HydrophobicContact CB-CD1 4.16Å
80	N	94.4	Very high	85.4	Confident	90 Å²	90	88.7 Å²	88.7	48%	0.481	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.9	171.7	-65.3	-64.4	0	0	0	109.6	R93 I95	N80-R93 PolarHBondContact OD1-NE 3.42Å; N80-R93 PolarHBondContact OD1-NH2 3.23Å; N80-R93 VanDerWaalsContact OD1-NH2 3.12Å; N80-I95 WeakPolarHBondContact OD1-CG1 3.38Å
81	F	91.7	Very high	86.5	Confident	11 Å²	11	86.4 Å²	86.4	5%	0.048	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	117.2	170.1	-170.2	-96.9	0	0	0	109.6	H85 A87 A88 L94 M96 V445 I448	F81-H85 HydrophobicContact CE1-CB 4.49Å; F81-H85 AromaticContact CE1-ND1 3.77Å; F81-H85 AromaticContact CE2-CD2 3.66Å; F81-H85 AromaticContact CE2-CE1 3.44Å; F81-H85 VanDerWaalsContact CE2-CE1 3.44Å; F81-H85 WeakPolarHBondContact CE2-CE1 3.44Å; F81-H85 AromaticContact CE2-CG 3.67Å; F81-H85 AromaticContact CE2-ND1 3.53Å; F81-H85 AromaticContact CE2-NE2 3.53Å; F81-H85 HydrophobicContact CZ-CB 4.43Å; F81-H85 AromaticContact CZ-CE1 3.3Å; F81-H85 WeakPolarHBondContact CZ-CE1 3.35Å; F81-H85 AromaticContact CZ-CG 3.65Å; F81-H85 AromaticContact CZ-ND1 3.12Å; F81-H85 WeakPolarHBondContact CZ-ND1 3.44Å; F81-H85 AromaticContact CZ-NE2 3.89Å; F81-A87 HydrophobicContact CE1-CB 4.47Å; F81-A87 HydrophobicContact CZ-CB 4.06Å; F81-A88 HydrophobicContact CD1-CB 4.22Å; F81-A88 HydrophobicContact CE1-CB 4.09Å; F81-L94 HydrophobicContact CB-CB 4.2Å; F81-L94 HydrophobicContact CB-CD2 3.95Å; F81-L94 WeakPolarHBondContact CB-O 3.23Å; F81-L94 HydrophobicContact CD1-CD2 4.39Å; F81-L94 HydrophobicContact CG-CD2 4.39Å; F81-L94 PolarHBondContact N-O 3.02Å; F81-L94 PolarHBondContact O-N 2.88Å; F81-M96 HydrophobicContact CB-CE 4Å; F81-M96 HydrophobicContact CB-SD 4.37Å; F81-M96 HydrophobicContact CD2-CE 4.23Å; F81-M96 HydrophobicContact CG-CE 4.47Å; F81-V445 HydrophobicContact CE2-CG2 4.46Å; F81-V445 HydrophobicContact CZ-CG2 3.98Å; F81-I448 HydrophobicContact CE1-CD1 4.38Å
82	G	89.1	Confident	87.5	Confident	20 Å²	20	78 Å²	78	21%	0.206	42%	0.42	C	S	.	.			trans	83.9	179.6	-175.6	0	0	0	0	0	114.3	L92	G82-L92 WeakPolarHBondContact CA-O 3.43Å
83	P	88.7	Confident	88.7	Confident	58 Å²	58	75.1 Å²	75.1	38%	0.377	40%	0.403	S	S	.	.	S	Bend	cis	-78.7	-24	10.3	29.2	-34.6	0	0	0	115.2	H85 G90 L92 L112	P83-H85 PolarHBondContact O-N 2.99Å; P83-G90 WeakPolarHBondContact CB-O 3.48Å; P83-G90 CarbonylContact O-C 3.2Å; P83-G90 VanDerWaalsContact O-CA 3.24Å; P83-G90 WeakPolarHBondContact O-CA 3.17Å; P83-L92 WeakPolarHBondContact CA-O 3.4Å; P83-L112 HydrophobicContact CB-CD1 4.03Å; P83-L112 HydrophobicContact CG-CD1 4.43Å
84	Q	92.5	Very high	89.6	Confident	189 Å²	189	66.7 Å²	66.7	88%	0.883	36%	0.364	S	S	*	.	S	Bend	trans	-73.8	-8.1	-174	-167.6	177.8	3.3	0	0	114.5
85	H	92.5	Very high	90.5	Very high	79 Å²	79	62.8 Å²	62.8	37%	0.366	34%	0.338	S	S	.	.	S	Bend	trans	-64.7	134.6	-178.6	-171.2	-81.7	0	0	0	110.5	F81 P83 A87 A88	F81-H85 HydrophobicContact CE1-CB 4.49Å; F81-H85 AromaticContact CE1-ND1 3.77Å; F81-H85 AromaticContact CE2-CD2 3.66Å; F81-H85 AromaticContact CE2-CE1 3.44Å; F81-H85 VanDerWaalsContact CE2-CE1 3.44Å; F81-H85 WeakPolarHBondContact CE2-CE1 3.44Å; F81-H85 AromaticContact CE2-CG 3.67Å; F81-H85 AromaticContact CE2-ND1 3.53Å; F81-H85 AromaticContact CE2-NE2 3.53Å; F81-H85 HydrophobicContact CZ-CB 4.43Å; F81-H85 AromaticContact CZ-CE1 3.3Å; F81-H85 WeakPolarHBondContact CZ-CE1 3.35Å; F81-H85 AromaticContact CZ-CG 3.65Å; F81-H85 AromaticContact CZ-ND1 3.12Å; F81-H85 WeakPolarHBondContact CZ-ND1 3.44Å; F81-H85 AromaticContact CZ-NE2 3.89Å; P83-H85 PolarHBondContact O-N 2.99Å; H85-A87 VanDerWaalsContact C-N 3.34Å; H85-A87 PolarHBondContact ND1-N 2.93Å; H85-A87 PolarHBondContact O-N 3.1Å; H85-A88 HydrophobicContact CB-CB 3.93Å; H85-A88 VanDerWaalsContact O-CB 3.31Å; H85-A88 WeakPolarHBondContact O-CB 3.4Å; H85-A88 PolarHBondContact O-N 3.47Å
86	P	91.8	Very high	91.2	Very high	108 Å²	108	54.6 Å²	54.6	70%	0.701	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-53.2	-46.9	-178.2	-28.5	35.3	0	0	0	113.6	A88 H89	P86-A88 PolarHBondContact O-N 3.06Å; P86-H89 PolarHBondContact O-N 3.26Å
87	A	90.3	Very high	91.5	Very high	5 Å²	5	54.7 Å²	54.7	4%	0.041	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-75.6	-1.4	177.2	0	0	0	0	0	115	F81 H85 H89 V445	F81-A87 HydrophobicContact CE1-CB 4.47Å; F81-A87 HydrophobicContact CZ-CB 4.06Å; H85-A87 VanDerWaalsContact C-N 3.34Å; H85-A87 PolarHBondContact ND1-N 2.93Å; H85-A87 PolarHBondContact O-N 3.1Å; A87-H89 VanDerWaalsContact C-N 3.25Å; A87-V445 HydrophobicContact CB-CG1 3.67Å; A87-V445 HydrophobicContact CB-CG2 4.21Å
88	A	87.9	Confident	91.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-87.3	3	172	0	0	0	0	0	112.2	F81 H85 P86 G90 V91 L92	F81-A88 HydrophobicContact CD1-CB 4.22Å; F81-A88 HydrophobicContact CE1-CB 4.09Å; H85-A88 HydrophobicContact CB-CB 3.93Å; H85-A88 VanDerWaalsContact O-CB 3.31Å; H85-A88 WeakPolarHBondContact O-CB 3.4Å; H85-A88 PolarHBondContact O-N 3.47Å; P86-A88 PolarHBondContact O-N 3.06Å; A88-G90 PolarHBondContact O-N 3.08Å; A88-V91 PolarHBondContact O-N 3.44Å; A88-L92 HydrophobicContact CB-CB 4.09Å; A88-L92 WeakPolarHBondContact O-CB 3.39Å; A88-L92 PolarHBondContact O-N 3.11Å
89	H	86.5	Confident	91.5	Very high	62 Å²	62	49.9 Å²	49.9	29%	0.287	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	32.3	-174.4	-52.4	-63.9	0	0	0	113.4	P86 A87 V91 D190 F455	P86-H89 PolarHBondContact O-N 3.26Å; A87-H89 VanDerWaalsContact C-N 3.25Å; H89-V91 VanDerWaalsContact C-N 3.35Å; H89-V91 PolarHBondContact O-N 2.83Å; H89-D190 IonicContact CE1-OD2 2.63Å; H89-F455 HydrophobicContact CB-CD2 4.16Å; H89-F455 HydrophobicContact CB-CE2 4Å
90	G	83.9	Confident	91.4	Very high	44 Å²	44	49.4 Å²	49.4	45%	0.454	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-19.9	171.5	0	0	0	0	0	117.4	P83 A88	P83-G90 WeakPolarHBondContact CB-O 3.48Å; P83-G90 CarbonylContact O-C 3.2Å; P83-G90 VanDerWaalsContact O-CA 3.24Å; P83-G90 WeakPolarHBondContact O-CA 3.17Å; A88-G90 PolarHBondContact O-N 3.08Å
91	V	91	Very high	91.2	Very high	32 Å²	32	51.6 Å²	51.6	19%	0.194	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.8	3.9	-171.5	-61.5	0	0	0	0	114.6	A88 H89 L112 L113 F455	A88-V91 PolarHBondContact O-N 3.44Å; H89-V91 VanDerWaalsContact C-N 3.35Å; H89-V91 PolarHBondContact O-N 2.83Å; V91-L112 HydrophobicContact CB-CB 4.24Å; V91-L112 VanDerWaalsContact O-CD1 3.27Å; V91-L112 WeakPolarHBondContact O-CD1 3.38Å; V91-L113 HydrophobicContact CG1-CB 4.48Å; V91-L113 HydrophobicContact CG1-CD1 4.26Å; V91-L113 HydrophobicContact CG2-CB 4.48Å; V91-L113 HydrophobicContact CG2-CD1 4.28Å; V91-F455 HydrophobicContact CG2-CB 3.17Å; V91-F455 HydrophobicContact CG2-CD1 4.35Å; V91-F455 HydrophobicContact CG2-CD2 3.52Å; V91-F455 HydrophobicContact CG2-CG 3.41Å; V91-F455 VanDerWaalsContact CG2-CG 3.41Å
92	L	91.6	Very high	91.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.317	C	S	.	.			trans	-85.5	126.6	171.8	-178	63	0	0	0	110.3	G82 P83 A88 L94 P108 M429 I448 F455	G82-L92 WeakPolarHBondContact CA-O 3.43Å; P83-L92 WeakPolarHBondContact CA-O 3.4Å; A88-L92 HydrophobicContact CB-CB 4.09Å; A88-L92 WeakPolarHBondContact O-CB 3.39Å; A88-L92 PolarHBondContact O-N 3.11Å; L92-L94 HydrophobicContact CD2-CB 4.11Å; L92-L94 HydrophobicContact CD2-CD1 4.25Å; L92-L94 HydrophobicContact CG-CB 4.08Å; L92-P108 HydrophobicContact CD1-CB 4.37Å; L92-M429 HydrophobicContact CD1-CE 3.51Å; L92-M429 HydrophobicContact CD2-CE 4.3Å; L92-I448 HydrophobicContact CD2-CD1 4.11Å; L92-F455 HydrophobicContact CB-CE1 4.03Å; L92-F455 HydrophobicContact CB-CE2 3.84Å; L92-F455 HydrophobicContact CB-CZ 3.51Å; L92-F455 HydrophobicContact CD1-CE1 3.75Å; L92-F455 HydrophobicContact CD1-CZ 3.87Å; L92-F455 HydrophobicContact CD2-CZ 3.94Å; L92-F455 HydrophobicContact CG-CE1 4.33Å; L92-F455 HydrophobicContact CG-CZ 3.95Å
93	R	94.8	Very high	91.5	Very high	102 Å²	102	56.7 Å²	56.7	39%	0.385	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	108.3	161.7	179.6	-177.4	178.1	-168.7	-2.4	108.5	N80 H109 L112	N80-R93 PolarHBondContact OD1-NE 3.42Å; N80-R93 PolarHBondContact OD1-NH2 3.23Å; N80-R93 VanDerWaalsContact OD1-NH2 3.12Å; R93-H109 HydrophobicContact CB-CB 4.15Å; R93-H109 HydrophobicContact CG-CB 4.39Å; R93-H109 WeakPolarHBondContact O-CA 3.48Å; R93-H109 WeakPolarHBondContact O-CB 2.97Å; R93-H109 PolarHBondContact O-N 3.09Å; R93-L112 HydrophobicContact CB-CD1 4.15Å
94	L	93.1	Very high	91.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	110.1	-179.5	177.8	128.6	0	0	0	108.6	F81 L92 M96 L106 I432	F81-L94 HydrophobicContact CB-CB 4.2Å; F81-L94 HydrophobicContact CB-CD2 3.95Å; F81-L94 WeakPolarHBondContact CB-O 3.23Å; F81-L94 HydrophobicContact CD1-CD2 4.39Å; F81-L94 HydrophobicContact CG-CD2 4.39Å; F81-L94 PolarHBondContact N-O 3.02Å; F81-L94 PolarHBondContact O-N 2.88Å; L92-L94 HydrophobicContact CD2-CB 4.11Å; L92-L94 HydrophobicContact CD2-CD1 4.25Å; L92-L94 HydrophobicContact CG-CB 4.08Å; L94-M96 HydrophobicContact CD2-CG 3.36Å; L94-M96 HydrophobicContact CD2-SD 3.43Å; L94-M96 WeakPolarHBondContact CD2-SD 3.29Å; L94-M96 HydrophobicContact CG-CG 4.33Å; L94-L106 HydrophobicContact CD1-CB 4.45Å; L94-L106 HydrophobicContact CD1-CD1 4.31Å; L94-L106 HydrophobicContact CD2-CD1 4.5Å; L94-L106 HydrophobicContact CD2-CD2 3.91Å; L94-L106 HydrophobicContact CG-CD2 4.44Å; L94-I432 HydrophobicContact CD1-CD1 3.83Å; L94-I432 HydrophobicContact CD1-CG2 4.45Å
95	I	94.6	Very high	91.8	Very high	32 Å²	32	53.6 Å²	53.6	16%	0.164	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	120	177.9	-56.9	-173.9	0	0	0	107.2	N80 D107 H109	N80-I95 WeakPolarHBondContact OD1-CG1 3.38Å; I95-D107 HydrophobicContact CB-CB 4.32Å; I95-D107 PolarHBondContact N-O 3.33Å; I95-D107 PolarHBondContact O-N 3.13Å; I95-H109 VanDerWaalsContact CD1-CD2 3.48Å; I95-H109 WeakPolarHBondContact CD1-CD2 3.29Å; I95-H109 VanDerWaalsContact CD1-NE2 3.28Å; I95-H109 WeakPolarHBondContact CD1-NE2 3.5Å
96	M	94.1	Very high	91.8	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.8	-177.6	-47.9	-163.4	-75.6	0	0	109.9	H78 L79 F81 L94 L98 L106 L441	H78-M96 CarbonylContact C-O 3.59Å; H78-M96 WeakPolarHBondContact CA-O 3.45Å; L79-M96 HydrophobicContact CD2-CE 3.5Å; L79-M96 VanDerWaalsContact CD2-CE 3.5Å; L79-M96 PolarHBondContact N-O 3.31Å; L79-M96 PolarHBondContact O-N 3.47Å; F81-M96 HydrophobicContact CB-CE 4Å; F81-M96 HydrophobicContact CB-SD 4.37Å; F81-M96 HydrophobicContact CD2-CE 4.23Å; F81-M96 HydrophobicContact CG-CE 4.47Å; L94-M96 HydrophobicContact CD2-CG 3.36Å; L94-M96 HydrophobicContact CD2-SD 3.43Å; L94-M96 WeakPolarHBondContact CD2-SD 3.29Å; L94-M96 HydrophobicContact CG-CG 4.33Å; M96-L98 HydrophobicContact CB-CD2 3.92Å; M96-L98 HydrophobicContact CB-CG 4.05Å; M96-L98 HydrophobicContact CE-CD1 4.35Å; M96-L106 HydrophobicContact CB-CD2 3.8Å; M96-L106 HydrophobicContact CG-CD2 3.46Å; M96-L106 VanDerWaalsContact CG-CD2 3.46Å; M96-L106 HydrophobicContact SD-CD2 3.81Å; M96-L441 HydrophobicContact CE-CD1 3.69Å; M96-L441 HydrophobicContact CE-CG 4.11Å
97	E	95.1	Very high	92	Very high	40 Å²	40	46.9 Å²	46.9	19%	0.187	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	113.3	163.9	-47.4	-168.6	159.3	0	0	107.9	H78 I104 R105	H78-E97 IonicContact CE1-OE1 2.93Å; H78-E97 PolarHBondContact CE1-OE1 2.76Å; H78-E97 VanDerWaalsContact CE1-OE1 3.29Å; H78-E97 WeakPolarHBondContact ND1-CG 3.36Å; H78-E97 IonicContact ND1-OE1 3.77Å; E97-I104 HydrophobicContact CB-CB 4.43Å; E97-I104 PolarHBondContact O-N 3.24Å; E97-R105 HydrophobicContact CB-CB 4.12Å; E97-R105 HydrophobicContact CG-CB 3.99Å; E97-R105 PolarHBondContact N-O 3.34Å; E97-R105 PolarHBondContact O-N 3.4Å
98	L	93.5	Very high	92.1	Very high	10 Å²	10	48.6 Å²	48.6	5%	0.052	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	137.2	-174.2	-57.6	177.6	0	0	0	111	S76 V77 L79 M96 K102 I103	S76-L98 WeakPolarHBondContact CA-O 3.45Å; V77-L98 PolarHBondContact N-O 2.76Å; V77-L98 PolarHBondContact O-N 3.22Å; L79-L98 HydrophobicContact CB-CD1 4.16Å; M96-L98 HydrophobicContact CB-CD2 3.92Å; M96-L98 HydrophobicContact CB-CG 4.05Å; M96-L98 HydrophobicContact CE-CD1 4.35Å; L98-K102 WeakPolarHBondContact CA-O 3.24Å; L98-I103 HydrophobicContact CD2-CB 4.35Å; L98-I103 HydrophobicContact CD2-CG1 3.46Å; L98-I103 VanDerWaalsContact CD2-CG1 3.46Å
99	D	91.9	Very high	92.5	Very high	94 Å²	94	52.9 Å²	52.9	50%	0.503	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	97	162.1	-176.3	17.9	0	0	0	108.2	E101 K102 I104	D99-E101 PolarHBondContact O-N 3.12Å; D99-K102 PolarHBondContact N-O 2.75Å; D99-K102 PolarHBondContact O-N 2.88Å; D99-K102 VanDerWaalsContact O-N 3.1Å; D99-I104 HydrophobicContact CB-CD1 3.67Å; D99-I104 HydrophobicContact CB-CG1 4.09Å
100	G	89.7	Confident	92.7	Very high	61 Å²	61	53.1 Å²	53.1	63%	0.629	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	-113.4	-162.5	0	0	0	0	0	110.9
101	E	91.4	Very high	93.1	Very high	136 Å²	136	52.9 Å²	52.9	64%	0.636	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-3.5	175	-65.9	-173.9	169.8	0	0	113.3	D99 L441	D99-E101 PolarHBondContact O-N 3.12Å; E101-L441 PolarHBondContact O-N 3.04Å
102	K	93.5	Very high	93.2	Very high	134 Å²	134	56.2 Å²	56.2	58%	0.583	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	138.1	179.2	-67.8	-175.2	179	-177.8	0	110.3	L98 D99	L98-K102 WeakPolarHBondContact CA-O 3.24Å; D99-K102 PolarHBondContact N-O 2.75Å; D99-K102 PolarHBondContact O-N 2.88Å; D99-K102 VanDerWaalsContact O-N 3.1Å
103	I	93.6	Very high	93.3	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	122.3	-178	-68	149.1	0	0	0	110.2	L98 L106 G438 F439 V444	L98-I103 HydrophobicContact CD2-CB 4.35Å; L98-I103 HydrophobicContact CD2-CG1 3.46Å; L98-I103 VanDerWaalsContact CD2-CG1 3.46Å; I103-L106 HydrophobicContact CG1-CD2 4.33Å; I103-L106 HydrophobicContact CG2-CD1 4.27Å; I103-L106 HydrophobicContact CG2-CD2 3.48Å; I103-L106 VanDerWaalsContact CG2-CD2 3.48Å; I103-L106 HydrophobicContact CG2-CG 3.56Å; I103-G438 PolarHBondContact O-N 2.85Å; I103-F439 PolarHBondContact N-O 2.84Å; I103-V444 HydrophobicContact CD1-CB 4.4Å; I103-V444 HydrophobicContact CD1-CG2 3.01Å; I103-V444 HydrophobicContact CG1-CG2 4.42Å
104	I	93.3	Very high	93.3	Very high	79 Å²	79	59.4 Å²	59.4	41%	0.405	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-44.1	170.8	-62.8	165.3	0	0	0	109.8	E97 D99	E97-I104 HydrophobicContact CB-CB 4.43Å; E97-I104 PolarHBondContact O-N 3.24Å; D99-I104 HydrophobicContact CB-CD1 3.67Å; D99-I104 HydrophobicContact CB-CG1 4.09Å
105	R	93.9	Very high	93.3	Very high	103 Å²	103	63.9 Å²	63.9	39%	0.389	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	142.4	-173.6	179.3	178.1	172.4	-172.1	-5.7	111.5	E97 D107 D433	E97-R105 HydrophobicContact CB-CB 4.12Å; E97-R105 HydrophobicContact CG-CB 3.99Å; E97-R105 PolarHBondContact N-O 3.34Å; E97-R105 PolarHBondContact O-N 3.4Å; R105-D107 IonicContact CZ-OD1 2.67Å; R105-D107 IonicContact CZ-OD2 3.03Å; R105-D107 VanDerWaalsContact CZ-OD2 3.29Å; R105-D107 IonicContact NE-OD1 3.29Å; R105-D107 PolarHBondContact NE-OD1 3.31Å; R105-D107 IonicContact NE-OD2 3.77Å; R105-D107 PolarHBondContact NE-OD2 3.45Å; R105-D107 VanDerWaalsContact NH2-CG 3.35Å; R105-D107 IonicContact NH2-OD1 3.75Å; R105-D107 PolarHBondContact NH2-OD1 2.95Å; R105-D107 IonicContact NH2-OD2 3.42Å; R105-D107 PolarHBondContact NH2-OD2 3.38Å; R105-D433 WeakPolarHBondContact CA-OD1 3.32Å
106	L	93.6	Very high	93.1	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.4	171.9	-59.6	-175.4	0	0	0	111.1	L94 M96 I103 P108 I432 D433 C436 V444	L94-L106 HydrophobicContact CD1-CB 4.45Å; L94-L106 HydrophobicContact CD1-CD1 4.31Å; L94-L106 HydrophobicContact CD2-CD1 4.5Å; L94-L106 HydrophobicContact CD2-CD2 3.91Å; L94-L106 HydrophobicContact CG-CD2 4.44Å; M96-L106 HydrophobicContact CB-CD2 3.8Å; M96-L106 HydrophobicContact CG-CD2 3.46Å; M96-L106 VanDerWaalsContact CG-CD2 3.46Å; M96-L106 HydrophobicContact SD-CD2 3.81Å; I103-L106 HydrophobicContact CG1-CD2 4.33Å; I103-L106 HydrophobicContact CG2-CD1 4.27Å; I103-L106 HydrophobicContact CG2-CD2 3.48Å; I103-L106 VanDerWaalsContact CG2-CD2 3.48Å; I103-L106 HydrophobicContact CG2-CG 3.56Å; L106-P108 WeakPolarHBondContact O-CD 3.32Å; L106-I432 HydrophobicContact CD1-CG1 4.44Å; L106-D433 HydrophobicContact CB-CB 4.32Å; L106-D433 PolarHBondContact N-OD1 3.31Å; L106-D433 WeakPolarHBondContact O-CB 3.34Å; L106-C436 HydrophobicContact CD1-CB 3.33Å; L106-C436 HydrophobicContact CG-CB 4.34Å; L106-V444 HydrophobicContact CD1-CG1 4.1Å; L106-V444 HydrophobicContact CD1-CG2 4.2Å
107	D	94.5	Very high	93.1	Very high	45 Å²	45	63.4 Å²	63.4	24%	0.241	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	100.1	173.8	-72.6	-12.2	0	0	0	109.4	I95 R105 H109	I95-D107 HydrophobicContact CB-CB 4.32Å; I95-D107 PolarHBondContact N-O 3.33Å; I95-D107 PolarHBondContact O-N 3.13Å; R105-D107 IonicContact CZ-OD1 2.67Å; R105-D107 IonicContact CZ-OD2 3.03Å; R105-D107 VanDerWaalsContact CZ-OD2 3.29Å; R105-D107 IonicContact NE-OD1 3.29Å; R105-D107 PolarHBondContact NE-OD1 3.31Å; R105-D107 IonicContact NE-OD2 3.77Å; R105-D107 PolarHBondContact NE-OD2 3.45Å; R105-D107 VanDerWaalsContact NH2-CG 3.35Å; R105-D107 IonicContact NH2-OD1 3.75Å; R105-D107 PolarHBondContact NH2-OD1 2.95Å; R105-D107 IonicContact NH2-OD2 3.42Å; R105-D107 PolarHBondContact NH2-OD2 3.38Å; D107-H109 PolarHBondContact O-N 3.41Å
108	P	93.8	Very high	93.1	Very high	40 Å²	40	62.6 Å²	62.6	26%	0.26	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	109.2	176.7	30.5	-34	0	0	0	111	L92 L106 I110 M429 I432	L92-P108 HydrophobicContact CD1-CB 4.37Å; L106-P108 WeakPolarHBondContact O-CD 3.32Å; P108-I110 PolarHBondContact O-N 3.28Å; P108-M429 HydrophobicContact CB-CE 3.59Å; P108-M429 HydrophobicContact CG-CE 4.4Å; P108-I432 HydrophobicContact CB-CG2 4.19Å; P108-I432 HydrophobicContact CG-CG2 3.77Å
109	H	94.4	Very high	93.2	Very high	90 Å²	90	67 Å²	67	42%	0.417	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	101.2	168.8	-72.4	-99.6	0	0	0	109.9	R93 I95 D107	R93-H109 HydrophobicContact CB-CB 4.15Å; R93-H109 HydrophobicContact CG-CB 4.39Å; R93-H109 WeakPolarHBondContact O-CA 3.48Å; R93-H109 WeakPolarHBondContact O-CB 2.97Å; R93-H109 PolarHBondContact O-N 3.09Å; I95-H109 VanDerWaalsContact CD1-CD2 3.48Å; I95-H109 WeakPolarHBondContact CD1-CD2 3.29Å; I95-H109 VanDerWaalsContact CD1-NE2 3.28Å; I95-H109 WeakPolarHBondContact CD1-NE2 3.5Å; D107-H109 PolarHBondContact O-N 3.41Å
110	I	92.6	Very high	93.4	Very high	68 Å²	68	66.1 Å²	66.1	35%	0.349	34%	0.343	S	S	.	.			trans	-91.3	171.6	172.6	62.8	170.2	0	0	0	111.1	P108 F426 V458 D459	P108-I110 PolarHBondContact O-N 3.28Å; I110-F426 HydrophobicContact CD1-CD2 4.1Å; I110-F426 HydrophobicContact CD1-CE2 3.61Å; I110-V458 HydrophobicContact CD1-CG1 4.11Å; I110-V458 HydrophobicContact CG2-CG1 4.21Å; I110-D459 WeakPolarHBondContact CB-OD1 3.26Å
111	G	92.3	Very high	93.7	Very high	38 Å²	38	63.2 Å²	63.2	39%	0.392	31%	0.313	S	S	.	.			trans	104	1.7	177.3	0	0	0	0	0	115.2	L113 H114 D459	G111-L113 PolarHBondContact O-N 2.9Å; G111-H114 WeakPolarHBondContact O-CB 3.39Å; G111-H114 PolarHBondContact O-N 2.81Å; G111-D459 VanDerWaalsContact CA-CG 3.48Å; G111-D459 WeakPolarHBondContact CA-OD1 3.47Å; G111-D459 VanDerWaalsContact CA-OD2 3.29Å; G111-D459 WeakPolarHBondContact CA-OD2 3.34Å; G111-D459 PolarHBondContact N-OD1 2.95Å; G111-D459 PolarHBondContact N-OD2 3.48Å
112	L	93	Very high	93.9	Very high	103 Å²	103	58.8 Å²	58.8	54%	0.539	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-21.4	175.1	-67.7	179.9	0	0	0	112.3	P83 V91 R93 D459	P83-L112 HydrophobicContact CB-CD1 4.03Å; P83-L112 HydrophobicContact CG-CD1 4.43Å; V91-L112 HydrophobicContact CB-CB 4.24Å; V91-L112 VanDerWaalsContact O-CD1 3.27Å; V91-L112 WeakPolarHBondContact O-CD1 3.38Å; R93-L112 HydrophobicContact CB-CD1 4.15Å; L112-D459 PolarHBondContact N-OD2 3.02Å
113	L	93.4	Very high	94	Very high	52 Å²	52	59.1 Å²	59.1	27%	0.272	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	23	173.9	-142.6	173	0	0	0	111.7	V91 G111 R115 D459	V91-L113 HydrophobicContact CG1-CB 4.48Å; V91-L113 HydrophobicContact CG1-CD1 4.26Å; V91-L113 HydrophobicContact CG2-CB 4.48Å; V91-L113 HydrophobicContact CG2-CD1 4.28Å; G111-L113 PolarHBondContact O-N 2.9Å; L113-R115 HydrophobicContact CD2-CG 3.97Å; L113-R115 PolarHBondContact O-N 3.13Å; L113-R115 VanDerWaalsContact O-N 3.12Å; L113-D459 VanDerWaalsContact C-CB 3.47Å; L113-D459 WeakPolarHBondContact CA-OD2 3.5Å; L113-D459 HydrophobicContact CB-CB 4.16Å; L113-D459 PolarHBondContact N-OD2 3.37Å
114	H	95.1	Very high	94.1	Very high	117 Å²	117	62.9 Å²	62.9	54%	0.542	31%	0.307	S	S	.	.			trans	-71.4	111.2	177.2	-176.5	57.9	0	0	0	110.3	G111 D459	G111-H114 WeakPolarHBondContact O-CB 3.39Å; G111-H114 PolarHBondContact O-N 2.81Å; H114-D459 HydrophobicContact CB-CB 4.34Å; H114-D459 PolarHBondContact ND1-O 2.62Å
115	R	91.2	Very high	94.2	Very high	94 Å²	94	59.6 Å²	59.6	36%	0.355	29%	0.291	S	S	.	.			trans	-97.3	-8	-177.6	-66.6	173.6	-61.2	-167.2	-1.6	112.5	L113 T117 R135 G456 R460	L113-R115 HydrophobicContact CD2-CG 3.97Å; L113-R115 PolarHBondContact O-N 3.13Å; L113-R115 VanDerWaalsContact O-N 3.12Å; R115-T117 VanDerWaalsContact C-N 3.27Å; R115-T117 HydrophobicContact CB-CG2 4.01Å; R115-T117 PolarHBondContact O-N 3.18Å; R115-R135 VanDerWaalsContact CZ-O 3.27Å; R115-R135 PolarHBondContact NH1-O 3.49Å; R115-R135 PolarHBondContact NH2-O 3.08Å; R115-G456 PolarHBondContact NH2-O 3.46Å; R115-R460 VanDerWaalsContact CZ-OXT 3.32Å; R115-R460 PolarHBondContact N-O 3.4Å; R115-R460 VanDerWaalsContact N-O 3.09Å; R115-R460 PolarHBondContact NE-OXT 2.86Å; R115-R460 PolarHBondContact NH2-OXT 3.13Å
116	G	91.7	Very high	94.3	Very high	20 Å²	20	54.9 Å²	54.9	21%	0.206	27%	0.273	C	S	.	.			trans	65.3	32.4	-174.1	0	0	0	0	0	112.3	E118 K119 L120 R460	G116-E118 VanDerWaalsContact C-N 3.27Å; G116-E118 PolarHBondContact O-N 3.05Å; G116-K119 PolarHBondContact O-N 3.46Å; G116-L120 PolarHBondContact O-N 3.2Å; G116-R460 PolarHBondContact N-O 3.34Å
117	T	93.2	Very high	94.3	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-54.3	-42.5	-174.9	45.6	0	0	0	0	112.6	R115 K119 L120 I121 Y132 R460	R115-T117 VanDerWaalsContact C-N 3.27Å; R115-T117 HydrophobicContact CB-CG2 4.01Å; R115-T117 PolarHBondContact O-N 3.18Å; T117-K119 PolarHBondContact O-N 3.19Å; T117-L120 PolarHBondContact O-N 2.8Å; T117-L120 VanDerWaalsContact O-N 3.09Å; T117-I121 VanDerWaalsContact O-CG1 3.28Å; T117-I121 WeakPolarHBondContact O-CG1 3.37Å; T117-I121 PolarHBondContact O-N 3Å; T117-Y132 HydrophobicContact CG2-CD1 4Å; T117-R460 WeakPolarHBondContact CG2-OXT 3.23Å; T117-R460 PolarHBondContact N-O 3.05Å; T117-R460 WeakPolarHBondContact OG1-CB 3.06Å; T117-R460 PolarHBondContact OG1-O 3.19Å; T117-R460 PolarHBondContact OG1-OXT 2.64Å
118	E	94.8	Very high	94.3	Very high	23 Å²	23	60.3 Å²	60.3	11%	0.107	30%	0.301	C	S	.	.	H	α-helix	trans	-56.8	-38.3	179.6	-61.1	-171.5	171.2	0	0	112.5	G116 E122 R418 C419 K420 I421 R460	G116-E118 VanDerWaalsContact C-N 3.27Å; G116-E118 PolarHBondContact O-N 3.05Å; E118-E122 PolarHBondContact O-N 2.82Å; E118-R418 IonicContact OE2-CZ 3.8Å; E118-R418 VanDerWaalsContact OE2-CZ 3.24Å; E118-R418 IonicContact OE2-NH1 2.78Å; E118-R418 PolarHBondContact OE2-NH1 2.81Å; E118-R418 IonicContact OE2-NH2 3.14Å; E118-R418 PolarHBondContact OE2-NH2 3.08Å; E118-C419 WeakPolarHBondContact CB-O 3.27Å; E118-C419 WeakPolarHBondContact CG-O 3.25Å; E118-K420 WeakPolarHBondContact OE1-CD 3.47Å; E118-K420 IonicContact OE1-NZ 2.92Å; E118-K420 PolarHBondContact OE1-NZ 2.9Å; E118-I421 PolarHBondContact OE1-N 3.37Å; E118-I421 VanDerWaalsContact OE1-N 3.1Å; E118-R460 WeakPolarHBondContact OE1-CD 3.32Å; E118-R460 IonicContact OE1-NE 3.71Å; E118-R460 PolarHBondContact OE1-NE 2.69Å
119	K	96	Very high	94.4	Very high	104 Å²	104	58.4 Å²	58.4	45%	0.452	29%	0.289	S	S	.	.	H	α-helix	trans	-74.5	-37.1	177.8	-173.6	55.7	174.9	175.7	0	111.9	G116 T117 I121 E122 Y123	G116-K119 PolarHBondContact O-N 3.46Å; T117-K119 PolarHBondContact O-N 3.19Å; K119-I121 VanDerWaalsContact C-N 3.29Å; K119-I121 PolarHBondContact O-N 3.37Å; K119-E122 WeakPolarHBondContact CD-OE2 3.47Å; K119-E122 IonicContact NZ-OE2 3.29Å; K119-E122 PolarHBondContact NZ-OE2 2.96Å; K119-E122 PolarHBondContact O-N 3.24Å; K119-Y123 HydrophobicContact CD-CE2 4.01Å; K119-Y123 VanDerWaalsContact CE-OH 3.31Å; K119-Y123 WeakPolarHBondContact CE-OH 3.44Å; K119-Y123 HydrophobicContact CG-CE2 4.06Å; K119-Y123 WeakPolarHBondContact O-CD2 3Å
120	L	96.3	Very high	94.4	Very high	75 Å²	75	54.4 Å²	54.4	39%	0.393	27%	0.271	S	S	.	.	H	α-helix	trans	-64.7	-36.1	175.4	-65.6	175.2	0	0	0	111.6	G116 T117 E122 Y123 K124 Y132	G116-L120 PolarHBondContact O-N 3.2Å; T117-L120 PolarHBondContact O-N 2.8Å; T117-L120 VanDerWaalsContact O-N 3.09Å; L120-E122 VanDerWaalsContact C-N 3.33Å; L120-E122 PolarHBondContact O-N 2.91Å; L120-Y123 PolarHBondContact O-N 2.74Å; L120-K124 VanDerWaalsContact O-CG 3.31Å; L120-K124 WeakPolarHBondContact O-CG 3.22Å; L120-Y132 HydrophobicContact CB-CE1 4.21Å; L120-Y132 HydrophobicContact CD1-CE1 4.02Å
121	I	96.1	Very high	94.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-39.9	177.3	-71.9	164.9	0	0	0	111.2	T117 K119 Y123 K124 A129 Y132 F133 P416 C419 I421	T117-I121 VanDerWaalsContact O-CG1 3.28Å; T117-I121 WeakPolarHBondContact O-CG1 3.37Å; T117-I121 PolarHBondContact O-N 3Å; K119-I121 VanDerWaalsContact C-N 3.29Å; K119-I121 PolarHBondContact O-N 3.37Å; I121-Y123 PolarHBondContact O-N 3.23Å; I121-Y123 VanDerWaalsContact O-N 3.15Å; I121-K124 PolarHBondContact O-N 2.97Å; I121-A129 HydrophobicContact CG1-CB 4.36Å; I121-A129 HydrophobicContact CG2-CB 3.97Å; I121-Y132 HydrophobicContact CG1-CD2 3.77Å; I121-Y132 HydrophobicContact CG1-CE2 4.35Å; I121-Y132 HydrophobicContact CG1-CG 4.13Å; I121-F133 HydrophobicContact CD1-CE2 4.47Å; I121-P416 HydrophobicContact CG2-CG 3.53Å; I121-C419 HydrophobicContact CB-CB 4.45Å; I121-C419 HydrophobicContact CG2-CB 3.65Å; I121-I421 HydrophobicContact CD1-CD1 4.26Å
122	E	95.9	Very high	94.7	Very high	42 Å²	42	53.8 Å²	53.8	20%	0.196	26%	0.259	C	S	.	.	H	α-helix	trans	-58.5	-29	178.2	-64	174	-171.9	0	0	113.3	E118 K119 L120 P416 Y417 R418	E118-E122 PolarHBondContact O-N 2.82Å; K119-E122 WeakPolarHBondContact CD-OE2 3.47Å; K119-E122 IonicContact NZ-OE2 3.29Å; K119-E122 PolarHBondContact NZ-OE2 2.96Å; K119-E122 PolarHBondContact O-N 3.24Å; L120-E122 VanDerWaalsContact C-N 3.33Å; L120-E122 PolarHBondContact O-N 2.91Å; E122-P416 WeakPolarHBondContact CA-O 3.46Å; E122-Y417 WeakPolarHBondContact CG-O 3.25Å; E122-R418 WeakPolarHBondContact OE1-CD 3.25Å; E122-R418 IonicContact OE1-NE 2.64Å
123	Y	95.8	Very high	94.8	Very high	141 Å²	141	48.9 Å²	48.9	55%	0.553	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-9.9	-179.5	-66.6	-68	0	0	0	114	K119 L120 I121 K415	K119-Y123 HydrophobicContact CD-CE2 4.01Å; K119-Y123 VanDerWaalsContact CE-OH 3.31Å; K119-Y123 WeakPolarHBondContact CE-OH 3.44Å; K119-Y123 HydrophobicContact CG-CE2 4.06Å; K119-Y123 WeakPolarHBondContact O-CD2 3Å; L120-Y123 PolarHBondContact O-N 2.74Å; I121-Y123 PolarHBondContact O-N 3.23Å; I121-Y123 VanDerWaalsContact O-N 3.15Å; Y123-K415 PolarHBondContact O-NZ 2.98Å; Y123-K415 VanDerWaalsContact O-NZ 3.17Å
124	K	95.4	Very high	94.8	Very high	84 Å²	84	46.5 Å²	46.5	37%	0.365	22%	0.221	S	C	.	.	S	Bend	trans	-108.9	155.6	-173.1	-61.7	-64.7	179.6	-177.1	0	111.1	L120 I121 Q128 Y132 P416	L120-K124 VanDerWaalsContact O-CG 3.31Å; L120-K124 WeakPolarHBondContact O-CG 3.22Å; I121-K124 PolarHBondContact O-N 2.97Å; K124-Q128 HydrophobicContact CB-CB 4.01Å; K124-Y132 HydrophobicContact CG-CE2 4.31Å; K124-P416 VanDerWaalsContact O-CD 3.29Å; K124-P416 WeakPolarHBondContact O-CD 3.43Å
125	T	95.7	Very high	94.7	Very high	10 Å²	10	47.4 Å²	47.4	6%	0.061	22%	0.219	C	C	.	.			trans	-72.4	161.8	174.3	60.6	0	0	0	0	110.8	T127 Q128 A129 E384 N414	T125-T127 VanDerWaalsContact C-N 3.26Å; T125-T127 PolarHBondContact O-N 3.45Å; T125-T127 PolarHBondContact OG1-OG1 3.49Å; T125-Q128 CarbonylContact O-C 3.59Å; T125-Q128 PolarHBondContact O-N 3.38Å; T125-Q128 WeakPolarHBondContact OG1-CB 3.46Å; T125-Q128 VanDerWaalsContact OG1-CG 3.25Å; T125-Q128 WeakPolarHBondContact OG1-CG 3.49Å; T125-Q128 PolarHBondContact OG1-N 3.24Å; T125-A129 PolarHBondContact O-N 3.2Å; T125-E384 WeakPolarHBondContact CG2-O 3.37Å; T125-N414 VanDerWaalsContact CA-O 3.28Å; T125-N414 WeakPolarHBondContact CA-O 3.47Å
126	Y	95.4	Very high	94.8	Very high	3 Å²	3	42.9 Å²	42.9	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-53.9	-41	178.7	-66.6	-83.7	0	0	0	113.2	Q128 A129 Y148 V152 Y386 V388 S410 N414 K415 P416	Y126-Q128 PolarHBondContact O-N 2.9Å; Y126-A129 PolarHBondContact O-N 2.99Å; Y126-Y148 VanDerWaalsContact CA-OH 3.27Å; Y126-Y148 WeakPolarHBondContact CA-OH 3.48Å; Y126-Y148 WeakPolarHBondContact CD1-OH 3.08Å; Y126-Y148 WeakPolarHBondContact O-CE1 3.32Å; Y126-Y148 PolarHBondContact O-OH 2.87Å; Y126-V152 HydrophobicContact CD1-CG2 4.11Å; Y126-Y386 VanDerWaalsContact CB-OH 3.3Å; Y126-Y386 WeakPolarHBondContact CB-OH 3.13Å; Y126-Y386 HydrophobicContact CD2-CE2 4.12Å; Y126-Y386 HydrophobicContact CG-CE2 4.08Å; Y126-V388 HydrophobicContact CD1-CG2 4.22Å; Y126-V388 HydrophobicContact CD2-CB 4.47Å; Y126-V388 HydrophobicContact CD2-CG2 3.56Å; Y126-V388 HydrophobicContact CE1-CB 4.45Å; Y126-V388 HydrophobicContact CE1-CG2 3.99Å; Y126-V388 HydrophobicContact CE2-CB 3.73Å; Y126-V388 HydrophobicContact CE2-CG2 3.3Å; Y126-V388 HydrophobicContact CG-CG2 4.04Å; Y126-S410 VanDerWaalsContact OH-CB 3.24Å; Y126-S410 WeakPolarHBondContact OH-CB 3.3Å; Y126-N414 WeakPolarHBondContact CD2-O 3.45Å; Y126-N414 VanDerWaalsContact CE2-C 3.48Å; Y126-N414 WeakPolarHBondContact CE2-O 3.34Å; Y126-N414 PolarHBondContact N-O 3.18Å; Y126-K415 PolarHBondContact OH-O 3.09Å; Y126-P416 HydrophobicContact CE1-CB 3.83Å; Y126-P416 HydrophobicContact CE1-CG 4.42Å
127	T	93.7	Very high	94.9	Very high	65 Å²	65	42 Å²	42	40%	0.399	19%	0.193	S	C	.	.	H	α-helix	trans	-67.6	-36	177.1	52.6	0	0	0	0	113	T125 A129 Y386	T125-T127 VanDerWaalsContact C-N 3.26Å; T125-T127 PolarHBondContact O-N 3.45Å; T125-T127 PolarHBondContact OG1-OG1 3.49Å; T127-A129 VanDerWaalsContact C-N 3.34Å; T127-Y386 HydrophobicContact CG2-CD1 4.23Å; T127-Y386 HydrophobicContact CG2-CE1 3.5Å
128	Q	94.9	Very high	94.8	Very high	96 Å²	96	46.6 Å²	46.6	45%	0.449	21%	0.211	S	C	.	.	H	α-helix	trans	-77.7	-19.4	177.4	-70.7	176	4.5	0	0	113.2	K124 T125 Y126 P131	K124-Q128 HydrophobicContact CB-CB 4.01Å; T125-Q128 CarbonylContact O-C 3.59Å; T125-Q128 PolarHBondContact O-N 3.38Å; T125-Q128 WeakPolarHBondContact OG1-CB 3.46Å; T125-Q128 VanDerWaalsContact OG1-CG 3.25Å; T125-Q128 WeakPolarHBondContact OG1-CG 3.49Å; T125-Q128 PolarHBondContact OG1-N 3.24Å; Y126-Q128 PolarHBondContact O-N 2.9Å; Q128-P131 WeakPolarHBondContact O-CD 3.41Å
129	A	95.1	Very high	94.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-77.7	-24.2	178.8	0	0	0	0	0	112.6	I121 T125 Y126 T127 Y132	I121-A129 HydrophobicContact CG1-CB 4.36Å; I121-A129 HydrophobicContact CG2-CB 3.97Å; T125-A129 PolarHBondContact O-N 3.2Å; Y126-A129 PolarHBondContact O-N 2.99Å; T127-A129 VanDerWaalsContact C-N 3.34Å; A129-Y132 WeakPolarHBondContact O-CB 3.46Å; A129-Y132 WeakPolarHBondContact O-CD2 3.43Å; A129-Y132 PolarHBondContact O-N 3.01Å; A129-Y132 VanDerWaalsContact O-N 3.08Å
130	L	95	Very high	94.5	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-53.3	-46.6	-176.6	-168.1	157.1	0	0	0	114.4	Y132 F133 E145 Y148 A222 I224 R225	L130-Y132 PolarHBondContact O-N 3.31Å; L130-F133 WeakPolarHBondContact O-CB 3.39Å; L130-F133 PolarHBondContact O-N 3.38Å; L130-E145 HydrophobicContact CD2-CG 3.92Å; L130-Y148 HydrophobicContact CB-CD1 4.25Å; L130-Y148 HydrophobicContact CB-CE1 4.17Å; L130-Y148 HydrophobicContact CG-CD1 4.24Å; L130-A222 HydrophobicContact CD2-CB 3.89Å; L130-I224 VanDerWaalsContact CD1-O 3.27Å; L130-I224 WeakPolarHBondContact CD1-O 3.4Å; L130-R225 HydrophobicContact CD1-CB 4.28Å; L130-R225 HydrophobicContact CD1-CG 4.06Å
131	P	95.4	Very high	94.3	Very high	50 Å²	50	37.3 Å²	37.3	33%	0.325	17%	0.167	S	C	.	.	H	α-helix	trans	-65.8	-11.4	-179.1	-21.7	35.5	0	0	0	114.6	Q128 F133 R135	Q128-P131 WeakPolarHBondContact O-CD 3.41Å; P131-F133 VanDerWaalsContact C-N 3.34Å; P131-R135 WeakPolarHBondContact O-CG 3.13Å
132	Y	95.1	Very high	94.3	Very high	42 Å²	42	37.4 Å²	37.4	17%	0.165	17%	0.168	C	C	.	.	H	α-helix	trans	-69.7	-35.8	170.4	-71.1	-75.1	0	0	0	111.1	T117 L120 I121 K124 A129 L130 D134 R135 L136	T117-Y132 HydrophobicContact CG2-CD1 4Å; L120-Y132 HydrophobicContact CB-CE1 4.21Å; L120-Y132 HydrophobicContact CD1-CE1 4.02Å; I121-Y132 HydrophobicContact CG1-CD2 3.77Å; I121-Y132 HydrophobicContact CG1-CE2 4.35Å; I121-Y132 HydrophobicContact CG1-CG 4.13Å; K124-Y132 HydrophobicContact CG-CE2 4.31Å; A129-Y132 WeakPolarHBondContact O-CB 3.46Å; A129-Y132 WeakPolarHBondContact O-CD2 3.43Å; A129-Y132 PolarHBondContact O-N 3.01Å; A129-Y132 VanDerWaalsContact O-N 3.08Å; L130-Y132 PolarHBondContact O-N 3.31Å; Y132-D134 VanDerWaalsContact C-N 3.31Å; Y132-D134 PolarHBondContact O-N 3.1Å; Y132-R135 WeakPolarHBondContact O-CB 3.32Å; Y132-R135 PolarHBondContact O-N 3.37Å; Y132-L136 WeakPolarHBondContact O-CG 3.43Å; Y132-L136 PolarHBondContact O-N 3.25Å
133	F	95.2	Very high	94.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.9	-35.9	-179.5	-71.4	-83.3	0	0	0	112.5	I121 L130 P131 R135 L136 N144 Y148 F404 V406 I421	I121-F133 HydrophobicContact CD1-CE2 4.47Å; L130-F133 WeakPolarHBondContact O-CB 3.39Å; L130-F133 PolarHBondContact O-N 3.38Å; P131-F133 VanDerWaalsContact C-N 3.34Å; F133-R135 PolarHBondContact O-N 2.95Å; F133-L136 HydrophobicContact CD1-CD1 3.7Å; F133-L136 HydrophobicContact CE1-CD1 4.19Å; F133-L136 HydrophobicContact CG-CD1 4.33Å; F133-L136 PolarHBondContact O-N 3.25Å; F133-N144 HydrophobicContact CB-CB 3.97Å; F133-N144 VanDerWaalsContact O-CB 3.26Å; F133-N144 WeakPolarHBondContact O-CB 3.26Å; F133-N144 PolarHBondContact O-ND2 2.88Å; F133-N144 VanDerWaalsContact O-ND2 3.11Å; F133-Y148 HydrophobicContact CD2-CD1 4.03Å; F133-Y148 AromaticContact CD2-CD2 3.78Å; F133-Y148 HydrophobicContact CD2-CD2 3.78Å; F133-Y148 HydrophobicContact CD2-CE2 4.37Å; F133-Y148 AromaticContact CD2-CG 3.56Å; F133-Y148 HydrophobicContact CD2-CG 3.56Å; F133-Y148 HydrophobicContact CE1-CD2 4.12Å; F133-Y148 HydrophobicContact CE1-CG 4.44Å; F133-Y148 HydrophobicContact CE2-CD1 4.04Å; F133-Y148 AromaticContact CE2-CD2 3.04Å; F133-Y148 HydrophobicContact CE2-CD2 3.04Å; F133-Y148 HydrophobicContact CE2-CE1 4.38Å; F133-Y148 AromaticContact CE2-CE2 3.45Å; F133-Y148 HydrophobicContact CE2-CE2 3.45Å; F133-Y148 VanDerWaalsContact CE2-CE2 3.45Å; F133-Y148 AromaticContact CE2-CG 3.35Å; F133-Y148 HydrophobicContact CE2-CG 3.35Å; F133-Y148 HydrophobicContact CG-CG 4.2Å; F133-Y148 AromaticContact CZ-CD2 3.24Å; F133-Y148 HydrophobicContact CZ-CD2 3.24Å; F133-Y148 AromaticContact CZ-CE2 3.86Å; F133-Y148 HydrophobicContact CZ-CE2 3.86Å; F133-Y148 AromaticContact CZ-CG 3.84Å; F133-Y148 HydrophobicContact CZ-CG 3.84Å; F133-F404 HydrophobicContact CD1-CE1 4.14Å; F133-F404 HydrophobicContact CD1-CZ 4.02Å; F133-F404 HydrophobicContact CE1-CE1 4.43Å; F133-F404 HydrophobicContact CE1-CZ 4.33Å; F133-V406 HydrophobicContact CD1-CG2 4.44Å; F133-V406 HydrophobicContact CE1-CG1 4.43Å; F133-V406 HydrophobicContact CE1-CG2 3.65Å; F133-V406 HydrophobicContact CZ-CG1 4.36Å; F133-V406 HydrophobicContact CZ-CG2 4.36Å; F133-I421 HydrophobicContact CD1-CD1 4.4Å; F133-I421 HydrophobicContact CE1-CD1 3.7Å; F133-I421 HydrophobicContact CE1-CG1 4.21Å; F133-I421 HydrophobicContact CZ-CD1 4.07Å
134	D	94.3	Very high	94.2	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.011	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-29	170.6	-79.4	-19.4	0	0	0	114.1	Y132 M141 E145 H220 A222	Y132-D134 VanDerWaalsContact C-N 3.31Å; Y132-D134 PolarHBondContact O-N 3.1Å; D134-M141 HydrophobicContact CB-CB 4.45Å; D134-E145 VanDerWaalsContact CG-OE1 3.26Å; D134-E145 VanDerWaalsContact OD1-CD 3.25Å; D134-E145 WeakPolarHBondContact OD1-CG 3.15Å; D134-H220 HydrophobicContact CB-CB 4.03Å; D134-H220 PolarHBondContact O-CE1 3.04Å; D134-H220 PolarHBondContact O-ND1 3.41Å; D134-A222 PolarHBondContact OD2-N 2.77Å
135	R	93.3	Very high	94.2	Very high	136 Å²	136	24.7 Å²	24.7	51%	0.513	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-4.6	-173.2	-62.8	175	-179.6	-168.6	-0.3	112.8	R115 P131 Y132 F133	R115-R135 VanDerWaalsContact CZ-O 3.27Å; R115-R135 PolarHBondContact NH1-O 3.49Å; R115-R135 PolarHBondContact NH2-O 3.08Å; P131-R135 WeakPolarHBondContact O-CG 3.13Å; Y132-R135 WeakPolarHBondContact O-CB 3.32Å; Y132-R135 PolarHBondContact O-N 3.37Å; F133-R135 PolarHBondContact O-N 2.95Å
136	L	92.5	Very high	94.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-76.7	177	-66.7	167	0	0	0	109.1	Y132 F133 F404 I421 G456 E457 R460	Y132-L136 WeakPolarHBondContact O-CG 3.43Å; Y132-L136 PolarHBondContact O-N 3.25Å; F133-L136 HydrophobicContact CD1-CD1 3.7Å; F133-L136 HydrophobicContact CE1-CD1 4.19Å; F133-L136 HydrophobicContact CG-CD1 4.33Å; F133-L136 PolarHBondContact O-N 3.25Å; L136-F404 HydrophobicContact CD1-CE2 4.33Å; L136-F404 HydrophobicContact CD1-CZ 3.9Å; L136-I421 HydrophobicContact CD1-CD1 3.44Å; L136-I421 VanDerWaalsContact CD1-CD1 3.44Å; L136-I421 HydrophobicContact CD1-CG2 4.11Å; L136-I421 HydrophobicContact CD2-CD1 4.27Å; L136-I421 HydrophobicContact CG-CD1 4.48Å; L136-G456 CarbonylContact O-C 3.4Å; L136-G456 WeakPolarHBondContact O-CA 3.31Å; L136-E457 HydrophobicContact CB-CB 4.45Å; L136-E457 PolarHBondContact O-N 2.89Å; L136-E457 VanDerWaalsContact O-N 3.14Å; L136-R460 HydrophobicContact CD2-CB 4.31Å; L136-R460 HydrophobicContact CD2-CG 4.45Å
137	D	93.8	Very high	94.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-95.3	99.4	165.7	-174.6	12.1	0	0	0	110	A139 S140 N144 K401 E457	D137-A139 PolarHBondContact O-N 3.47Å; D137-A139 WeakPolarHBondContact OD1-CB 3.37Å; D137-A139 PolarHBondContact OD1-N 3.11Å; D137-S140 VanDerWaalsContact CG-OG 3.27Å; D137-S140 PolarHBondContact O-N 3.13Å; D137-S140 WeakPolarHBondContact OD2-CB 3.43Å; D137-S140 PolarHBondContact OD2-OG 2.93Å; D137-N144 WeakPolarHBondContact CB-ND2 3.46Å; D137-N144 PolarHBondContact N-ND2 2.94Å; D137-N144 PolarHBondContact O-ND2 2.97Å; D137-K401 IonicContact OD1-NZ 2.74Å; D137-K401 PolarHBondContact OD1-NZ 3.44Å; D137-K401 WeakPolarHBondContact OD2-CD 3.43Å; D137-K401 IonicContact OD2-NZ 3.1Å; D137-K401 PolarHBondContact OD2-NZ 3.08Å; D137-E457 HydrophobicContact CB-CB 4.47Å
138	Y	91.6	Very high	94.4	Very high	100 Å²	100	21 Å²	21	39%	0.392	9%	0.092	S	C	.	.	S	Bend	trans	-67.6	-12.5	179.2	57.8	-103.3	0	0	0	113.2	V454	Y138-V454 HydrophobicContact CD1-CG1 3.65Å; Y138-V454 HydrophobicContact CE1-CB 4.38Å; Y138-V454 HydrophobicContact CE1-CG1 3.21Å; Y138-V454 HydrophobicContact CE1-CG2 4.31Å; Y138-V454 HydrophobicContact CE2-CG2 4.37Å; Y138-V454 HydrophobicContact CG-CG1 4.49Å
139	A	90.7	Very high	94.4	Very high	3 Å²	3	16.4 Å²	16.4	3%	0.025	7%	0.071	C	C	.	.	S	Bend	trans	-87.2	-33.9	175.6	0	0	0	0	0	112.6	D137 N179 L182	D137-A139 PolarHBondContact O-N 3.47Å; D137-A139 WeakPolarHBondContact OD1-CB 3.37Å; D137-A139 PolarHBondContact OD1-N 3.11Å; A139-N179 WeakPolarHBondContact CB-OD1 3.47Å; A139-L182 HydrophobicContact CB-CD2 3.85Å
140	S	92.5	Very high	94.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-118.9	50.4	-175.3	71.8	0	0	0	0	113.3	D137 M142 C143 N144	D137-S140 VanDerWaalsContact CG-OG 3.27Å; D137-S140 PolarHBondContact O-N 3.13Å; D137-S140 WeakPolarHBondContact OD2-CB 3.43Å; D137-S140 PolarHBondContact OD2-OG 2.93Å; S140-M142 PolarHBondContact O-N 3.48Å; S140-C143 PolarHBondContact O-N 3.43Å; S140-N144 PolarHBondContact O-N 3.44Å; S140-N144 PolarHBondContact O-ND2 2.85Å
141	M	93.3	Very high	94.5	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.02	8%	0.075	C	C	.	.	H	α-helix	trans	-58.4	-46.2	-169.9	51	67.4	68.3	0	0	115.1	D134 C143 N144 E145 T175 Y211 A221	D134-M141 HydrophobicContact CB-CB 4.45Å; M141-C143 VanDerWaalsContact C-N 3.35Å; M141-C143 PolarHBondContact O-N 3.41Å; M141-N144 WeakPolarHBondContact O-CB 3.35Å; M141-N144 PolarHBondContact O-N 3.3Å; M141-N144 VanDerWaalsContact O-N 3.11Å; M141-E145 WeakPolarHBondContact CE-OE1 3.32Å; M141-E145 PolarHBondContact O-N 3.42Å; M141-T175 HydrophobicContact SD-CG2 4.3Å; M141-Y211 HydrophobicContact CE-CE2 4.45Å; M141-Y211 HydrophobicContact CG-CE2 4.26Å; M141-Y211 HydrophobicContact SD-CD2 3.96Å; M141-Y211 HydrophobicContact SD-CE2 3.3Å; M141-Y211 WeakPolarHBondContact SD-CE2 3.43Å; M141-A221 HydrophobicContact CE-CB 3.32Å
142	M	95	Very high	94.5	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-65.3	-36.7	-178.6	-65.8	-61	179.5	0	0	111.9	S140 N144 E145 Q146 Y171 T175 Y211 A221 Y223 I224	S140-M142 PolarHBondContact O-N 3.48Å; M142-N144 PolarHBondContact O-N 2.87Å; M142-E145 PolarHBondContact O-N 3.14Å; M142-Q146 WeakPolarHBondContact O-CB 3.4Å; M142-Q146 PolarHBondContact O-N 2.93Å; M142-Y171 HydrophobicContact CE-CD1 4.29Å; M142-T175 HydrophobicContact CB-CG2 3.69Å; M142-T175 HydrophobicContact CG-CG2 3.99Å; M142-Y211 HydrophobicContact CE-CD2 4.41Å; M142-Y211 HydrophobicContact CE-CE2 4.28Å; M142-Y211 HydrophobicContact CG-CE2 4.37Å; M142-A221 HydrophobicContact CE-CB 3.41Å; M142-A221 VanDerWaalsContact CE-CB 3.41Å; M142-A221 HydrophobicContact SD-CB 4.38Å; M142-Y223 HydrophobicContact CE-CD1 4.19Å; M142-Y223 HydrophobicContact CE-CG 4.36Å; M142-Y223 HydrophobicContact SD-CD1 4.46Å; M142-I224 HydrophobicContact CB-CD1 3.86Å; M142-I224 HydrophobicContact CG-CD1 4.45Å; M142-I224 HydrophobicContact SD-CD1 4.18Å; M142-I224 HydrophobicContact SD-CG1 4.1Å
143	C	95.4	Very high	94.5	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.007	5%	0.054	C	C	.	.	H	α-helix	trans	-61.6	-36	176.5	-69.9	0	0	0	0	111.5	S140 M141 C147 T175 A399	S140-C143 PolarHBondContact O-N 3.43Å; M141-C143 VanDerWaalsContact C-N 3.35Å; M141-C143 PolarHBondContact O-N 3.41Å; C143-C147 WeakPolarHBondContact O-CB 3.48Å; C143-C147 PolarHBondContact O-N 3.38Å; C143-T175 PolarHBondContact SG-OG1 3.3Å; C143-A399 HydrophobicContact CB-CB 4.48Å
144	N	95.2	Very high	94.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-71.2	-44.4	176.7	-58.6	-27.8	0	0	0	111.5	F133 D137 S140 M141 M142 Q146 C147 Y148 F404	F133-N144 HydrophobicContact CB-CB 3.97Å; F133-N144 VanDerWaalsContact O-CB 3.26Å; F133-N144 WeakPolarHBondContact O-CB 3.26Å; F133-N144 PolarHBondContact O-ND2 2.88Å; F133-N144 VanDerWaalsContact O-ND2 3.11Å; D137-N144 WeakPolarHBondContact CB-ND2 3.46Å; D137-N144 PolarHBondContact N-ND2 2.94Å; D137-N144 PolarHBondContact O-ND2 2.97Å; S140-N144 PolarHBondContact O-N 3.44Å; S140-N144 PolarHBondContact O-ND2 2.85Å; M141-N144 WeakPolarHBondContact O-CB 3.35Å; M141-N144 PolarHBondContact O-N 3.3Å; M141-N144 VanDerWaalsContact O-N 3.11Å; M142-N144 PolarHBondContact O-N 2.87Å; N144-Q146 VanDerWaalsContact C-N 3.28Å; N144-Q146 PolarHBondContact O-N 3.2Å; N144-C147 PolarHBondContact O-N 2.9Å; N144-Y148 PolarHBondContact O-N 3.28Å; N144-F404 HydrophobicContact CB-CE1 4.26Å; N144-F404 HydrophobicContact CB-CZ 4.39Å
145	E	95.6	Very high	94.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-57.8	-43.9	172.9	-62.6	179.7	-173.3	0	0	111	L130 D134 M141 M142 Y148 S149 A222 Y223 I224	L130-E145 HydrophobicContact CD2-CG 3.92Å; D134-E145 VanDerWaalsContact CG-OE1 3.26Å; D134-E145 VanDerWaalsContact OD1-CD 3.25Å; D134-E145 WeakPolarHBondContact OD1-CG 3.15Å; M141-E145 WeakPolarHBondContact CE-OE1 3.32Å; M141-E145 PolarHBondContact O-N 3.42Å; M142-E145 PolarHBondContact O-N 3.14Å; E145-Y148 PolarHBondContact O-N 3.27Å; E145-S149 WeakPolarHBondContact O-CB 3.41Å; E145-S149 PolarHBondContact O-N 2.95Å; E145-S149 PolarHBondContact O-OG 3.39Å; E145-A222 WeakPolarHBondContact OE1-CA 3.4Å; E145-A222 PolarHBondContact OE1-N 3.37Å; E145-Y223 PolarHBondContact OE1-N 2.7Å; E145-Y223 PolarHBondContact OE2-N 2.85Å; E145-I224 HydrophobicContact CB-CB 3.86Å; E145-I224 HydrophobicContact CB-CG2 4.41Å; E145-I224 WeakPolarHBondContact OE2-CA 3.47Å; E145-I224 WeakPolarHBondContact OE2-CB 3.4Å; E145-I224 PolarHBondContact OE2-N 2.96Å
146	Q	95.8	Very high	94.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.9	-49.8	178.3	-173.7	-179.2	6.6	0	0	111.1	M142 N144 Y148 S149 L150 S172 I224 D306	M142-Q146 WeakPolarHBondContact O-CB 3.4Å; M142-Q146 PolarHBondContact O-N 2.93Å; N144-Q146 VanDerWaalsContact C-N 3.28Å; N144-Q146 PolarHBondContact O-N 3.2Å; Q146-Y148 VanDerWaalsContact C-N 3.29Å; Q146-Y148 PolarHBondContact O-N 3.08Å; Q146-S149 WeakPolarHBondContact CA-OG 3.46Å; Q146-S149 PolarHBondContact O-N 3.41Å; Q146-S149 VanDerWaalsContact O-N 3.16Å; Q146-S149 PolarHBondContact O-OG 3.37Å; Q146-L150 HydrophobicContact CG-CD1 4.16Å; Q146-L150 WeakPolarHBondContact O-CG 3.22Å; Q146-L150 PolarHBondContact O-N 3.43Å; Q146-S172 VanDerWaalsContact OE1-CB 3.23Å; Q146-I224 HydrophobicContact CB-CD1 4Å; Q146-I224 HydrophobicContact CB-CG2 4.45Å; Q146-D306 PolarHBondContact NE2-OD2 3.17Å
147	C	95.7	Very high	94.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59	-41.4	177.2	-171.4	0	0	0	0	112.1	C143 N144 A151 T395 V397 F404 V406	C143-C147 WeakPolarHBondContact O-CB 3.48Å; C143-C147 PolarHBondContact O-N 3.38Å; N144-C147 PolarHBondContact O-N 2.9Å; C147-A151 WeakPolarHBondContact O-CB 3.12Å; C147-A151 PolarHBondContact O-N 3.05Å; C147-A151 VanDerWaalsContact O-N 3.11Å; C147-T395 PolarHBondContact SG-O 3.38Å; C147-V397 HydrophobicContact CB-CB 3.92Å; C147-V397 HydrophobicContact CB-CG2 3.71Å; C147-F404 HydrophobicContact CB-CD1 3.56Å; C147-F404 HydrophobicContact CB-CE1 3.91Å; C147-F404 PolarHBondContact SG-O 3.04Å; C147-V406 HydrophobicContact CB-CG2 4.45Å
148	Y	96.3	Very high	94.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.5	-44.1	175.2	-179.9	-113.2	0	0	0	112.3	Y126 L130 F133 N144 E145 Q146 L150 A151 V152 P226 L408	Y126-Y148 VanDerWaalsContact CA-OH 3.27Å; Y126-Y148 WeakPolarHBondContact CA-OH 3.48Å; Y126-Y148 WeakPolarHBondContact CD1-OH 3.08Å; Y126-Y148 WeakPolarHBondContact O-CE1 3.32Å; Y126-Y148 PolarHBondContact O-OH 2.87Å; L130-Y148 HydrophobicContact CB-CD1 4.25Å; L130-Y148 HydrophobicContact CB-CE1 4.17Å; L130-Y148 HydrophobicContact CG-CD1 4.24Å; F133-Y148 HydrophobicContact CD2-CD1 4.03Å; F133-Y148 AromaticContact CD2-CD2 3.78Å; F133-Y148 HydrophobicContact CD2-CD2 3.78Å; F133-Y148 HydrophobicContact CD2-CE2 4.37Å; F133-Y148 AromaticContact CD2-CG 3.56Å; F133-Y148 HydrophobicContact CD2-CG 3.56Å; F133-Y148 HydrophobicContact CE1-CD2 4.12Å; F133-Y148 HydrophobicContact CE1-CG 4.44Å; F133-Y148 HydrophobicContact CE2-CD1 4.04Å; F133-Y148 AromaticContact CE2-CD2 3.04Å; F133-Y148 HydrophobicContact CE2-CD2 3.04Å; F133-Y148 HydrophobicContact CE2-CE1 4.38Å; F133-Y148 AromaticContact CE2-CE2 3.45Å; F133-Y148 HydrophobicContact CE2-CE2 3.45Å; F133-Y148 VanDerWaalsContact CE2-CE2 3.45Å; F133-Y148 AromaticContact CE2-CG 3.35Å; F133-Y148 HydrophobicContact CE2-CG 3.35Å; F133-Y148 HydrophobicContact CG-CG 4.2Å; F133-Y148 AromaticContact CZ-CD2 3.24Å; F133-Y148 HydrophobicContact CZ-CD2 3.24Å; F133-Y148 AromaticContact CZ-CE2 3.86Å; F133-Y148 HydrophobicContact CZ-CE2 3.86Å; F133-Y148 AromaticContact CZ-CG 3.84Å; F133-Y148 HydrophobicContact CZ-CG 3.84Å; N144-Y148 PolarHBondContact O-N 3.28Å; E145-Y148 PolarHBondContact O-N 3.27Å; Q146-Y148 VanDerWaalsContact C-N 3.29Å; Q146-Y148 PolarHBondContact O-N 3.08Å; Y148-L150 PolarHBondContact O-N 3.25Å; Y148-A151 WeakPolarHBondContact O-CB 3.31Å; Y148-A151 PolarHBondContact O-N 2.84Å; Y148-V152 HydrophobicContact CD2-CG2 4.32Å; Y148-V152 HydrophobicContact CE1-CG2 4.06Å; Y148-V152 HydrophobicContact CE2-CG2 3.87Å; Y148-V152 WeakPolarHBondContact O-CG2 3.44Å; Y148-V152 PolarHBondContact O-N 3.43Å; Y148-V152 VanDerWaalsContact O-N 3.08Å; Y148-P226 HydrophobicContact CD1-CG 4.42Å; Y148-P226 HydrophobicContact CE1-CG 4.19Å; Y148-L408 HydrophobicContact CD2-CD1 4.16Å; Y148-L408 HydrophobicContact CE2-CD1 3.88Å; Y148-L408 HydrophobicContact CE2-CD2 4.22Å
149	S	95.8	Very high	94.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.2	-42.9	179.2	68.3	0	0	0	0	112.1	E145 Q146 A151 V152 E153 R168 I224	E145-S149 WeakPolarHBondContact O-CB 3.41Å; E145-S149 PolarHBondContact O-N 2.95Å; E145-S149 PolarHBondContact O-OG 3.39Å; Q146-S149 WeakPolarHBondContact CA-OG 3.46Å; Q146-S149 PolarHBondContact O-N 3.41Å; Q146-S149 VanDerWaalsContact O-N 3.16Å; Q146-S149 PolarHBondContact O-OG 3.37Å; S149-A151 VanDerWaalsContact C-N 3.33Å; S149-A151 PolarHBondContact O-N 3.02Å; S149-V152 PolarHBondContact O-N 3.13Å; S149-E153 VanDerWaalsContact O-CB 3.3Å; S149-E153 WeakPolarHBondContact O-CB 2.87Å; S149-E153 WeakPolarHBondContact O-CG 3.38Å; S149-E153 PolarHBondContact O-N 3.25Å; S149-R168 PolarHBondContact OG-NH2 3.47Å; S149-I224 WeakPolarHBondContact OG-CG2 3.45Å
150	L	95.9	Very high	94.6	Very high	20 Å²	20	26.3 Å²	26.3	11%	0.105	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-38.5	175.3	-70.4	172.5	0	0	0	111.6	Q146 Y148 E153 K154 Y305 V397	Q146-L150 HydrophobicContact CG-CD1 4.16Å; Q146-L150 WeakPolarHBondContact O-CG 3.22Å; Q146-L150 PolarHBondContact O-N 3.43Å; Y148-L150 PolarHBondContact O-N 3.25Å; L150-E153 PolarHBondContact O-N 3.21Å; L150-K154 VanDerWaalsContact O-CG 3.32Å; L150-K154 WeakPolarHBondContact O-CG 3.48Å; L150-K154 PolarHBondContact O-N 3.47Å; L150-Y305 HydrophobicContact CD1-CD2 3.86Å; L150-Y305 HydrophobicContact CD1-CG 4.06Å; L150-V397 HydrophobicContact CD1-CG2 3.69Å
151	A	95.8	Very high	94.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.1	-44.9	176.7	0	0	0	0	0	112.2	C147 Y148 S149 L155 T393 T395 V406 L408	C147-A151 WeakPolarHBondContact O-CB 3.12Å; C147-A151 PolarHBondContact O-N 3.05Å; C147-A151 VanDerWaalsContact O-N 3.11Å; Y148-A151 WeakPolarHBondContact O-CB 3.31Å; Y148-A151 PolarHBondContact O-N 2.84Å; S149-A151 VanDerWaalsContact C-N 3.33Å; S149-A151 PolarHBondContact O-N 3.02Å; A151-L155 PolarHBondContact O-N 3.19Å; A151-T393 PolarHBondContact O-OG1 2.91Å; A151-T395 WeakPolarHBondContact CA-OG1 3.37Å; A151-T395 HydrophobicContact CB-CG2 4.2Å; A151-T395 WeakPolarHBondContact CB-OG1 3.34Å; A151-V406 HydrophobicContact CB-CB 4.34Å; A151-V406 HydrophobicContact CB-CG1 4.02Å; A151-L408 HydrophobicContact CB-CD1 3.52Å; A151-L408 HydrophobicContact CB-CG 4.39Å
152	V	95.6	Very high	94.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-73.1	-39.8	179.6	177.2	0	0	0	0	111.4	Y126 Y148 S149 K154 L155 L156 P226 Y386 L408	Y126-V152 HydrophobicContact CD1-CG2 4.11Å; Y148-V152 HydrophobicContact CD2-CG2 4.32Å; Y148-V152 HydrophobicContact CE1-CG2 4.06Å; Y148-V152 HydrophobicContact CE2-CG2 3.87Å; Y148-V152 WeakPolarHBondContact O-CG2 3.44Å; Y148-V152 PolarHBondContact O-N 3.43Å; Y148-V152 VanDerWaalsContact O-N 3.08Å; S149-V152 PolarHBondContact O-N 3.13Å; V152-K154 VanDerWaalsContact C-N 3.33Å; V152-K154 PolarHBondContact O-N 2.84Å; V152-L155 PolarHBondContact O-N 2.97Å; V152-L155 VanDerWaalsContact O-N 3.16Å; V152-L156 HydrophobicContact CG1-CD1 3.75Å; V152-L156 HydrophobicContact CG1-CG 4.34Å; V152-L156 WeakPolarHBondContact O-CG 3.42Å; V152-L156 PolarHBondContact O-N 3.32Å; V152-P226 HydrophobicContact CB-CB 4.12Å; V152-P226 HydrophobicContact CB-CG 4.18Å; V152-P226 HydrophobicContact CG1-CB 3.81Å; V152-P226 HydrophobicContact CG1-CG 4.16Å; V152-P226 HydrophobicContact CG2-CG 4.37Å; V152-Y386 HydrophobicContact CG1-CE2 3.95Å; V152-L408 HydrophobicContact CG2-CD1 3.84Å
153	E	95.4	Very high	94.7	Very high	11 Å²	11	32.6 Å²	32.6	5%	0.051	17%	0.165	C	C	.	.	H	α-helix	trans	-62.3	-39	176.8	-77.1	161.4	-170.9	0	0	112.2	S149 L150 L156 N157 I158 V160 R168 G227 G228	S149-E153 VanDerWaalsContact O-CB 3.3Å; S149-E153 WeakPolarHBondContact O-CB 2.87Å; S149-E153 WeakPolarHBondContact O-CG 3.38Å; S149-E153 PolarHBondContact O-N 3.25Å; L150-E153 PolarHBondContact O-N 3.21Å; E153-L156 PolarHBondContact O-N 3.09Å; E153-N157 PolarHBondContact O-N 3.21Å; E153-I158 PolarHBondContact O-N 3.11Å; E153-I158 VanDerWaalsContact O-N 3.17Å; E153-V160 HydrophobicContact CG-CG2 4.26Å; E153-V160 VanDerWaalsContact OE1-CG2 3.24Å; E153-V160 WeakPolarHBondContact OE1-CG2 3.42Å; E153-V160 VanDerWaalsContact OE2-CG2 3.29Å; E153-V160 WeakPolarHBondContact OE2-CG2 3.39Å; E153-R168 IonicContact OE1-CZ 3.12Å; E153-R168 IonicContact OE1-NH1 3.46Å; E153-R168 PolarHBondContact OE1-NH1 2.93Å; E153-R168 IonicContact OE1-NH2 2.74Å; E153-R168 PolarHBondContact OE1-NH2 3.5Å; E153-R168 IonicContact OE2-CZ 2.82Å; E153-R168 IonicContact OE2-NH1 3.37Å; E153-R168 PolarHBondContact OE2-NH1 3.4Å; E153-R168 IonicContact OE2-NH2 2.81Å; E153-G227 PolarHBondContact OE1-N 2.76Å; E153-G228 PolarHBondContact OE1-N 3Å
154	K	94.2	Very high	94.7	Very high	119 Å²	119	32.6 Å²	32.6	52%	0.517	17%	0.165	S	C	.	.	H	α-helix	trans	-65.3	-35.1	173.1	-72.5	-170.7	-160.1	-177.3	0	113.1	L150 V152 N157 T393 T395	L150-K154 VanDerWaalsContact O-CG 3.32Å; L150-K154 WeakPolarHBondContact O-CG 3.48Å; L150-K154 PolarHBondContact O-N 3.47Å; V152-K154 VanDerWaalsContact C-N 3.33Å; V152-K154 PolarHBondContact O-N 2.84Å; K154-N157 PolarHBondContact O-OD1 2.76Å; K154-T393 HydrophobicContact CB-CG2 4.25Å; K154-T395 HydrophobicContact CD-CG2 3.5Å; K154-T395 VanDerWaalsContact CD-CG2 3.5Å; K154-T395 HydrophobicContact CG-CG2 4.38Å
155	L	94.3	Very high	94.7	Very high	13 Å²	13	35.8 Å²	35.8	7%	0.068	18%	0.179	C	C	.	.	H	α-helix	trans	-72.6	-34.1	175.2	-72.7	170.6	0	0	0	112.2	A151 V152 V388 T393 L408	A151-L155 PolarHBondContact O-N 3.19Å; V152-L155 PolarHBondContact O-N 2.97Å; V152-L155 VanDerWaalsContact O-N 3.16Å; L155-V388 HydrophobicContact CB-CG1 3.46Å; L155-V388 VanDerWaalsContact CB-CG1 3.46Å; L155-V388 HydrophobicContact CD1-CG1 3.97Å; L155-V388 HydrophobicContact CG-CG1 4.28Å; L155-T393 HydrophobicContact CD2-CG2 3.47Å; L155-T393 VanDerWaalsContact CD2-CG2 3.47Å; L155-T393 HydrophobicContact CG-CG2 3.73Å; L155-T393 WeakPolarHBondContact CG-OG1 3.49Å; L155-L408 HydrophobicContact CD1-CB 4.01Å; L155-L408 HydrophobicContact CD1-CD1 4.48Å
156	L	94.4	Very high	94.7	Very high	25 Å²	25	36.8 Å²	36.8	13%	0.131	18%	0.183	C	C	.	.	H	α-helix	trans	-81.9	-12.7	178.1	-70.2	170.6	0	0	0	113.5	V152 E153 I158 I360 Y386 V388	V152-L156 HydrophobicContact CG1-CD1 3.75Å; V152-L156 HydrophobicContact CG1-CG 4.34Å; V152-L156 WeakPolarHBondContact O-CG 3.42Å; V152-L156 PolarHBondContact O-N 3.32Å; E153-L156 PolarHBondContact O-N 3.09Å; L156-I158 HydrophobicContact CB-CD1 3.49Å; L156-I158 VanDerWaalsContact CB-CD1 3.49Å; L156-I158 HydrophobicContact CB-CG1 3.77Å; L156-I158 HydrophobicContact CD1-CD1 3.78Å; L156-I158 HydrophobicContact CG-CD1 4.19Å; L156-I360 HydrophobicContact CD1-CG1 4.36Å; L156-I360 HydrophobicContact CD1-CG2 4.04Å; L156-Y386 HydrophobicContact CD1-CD2 4.12Å; L156-Y386 HydrophobicContact CD1-CE2 3.9Å; L156-Y386 HydrophobicContact CD2-CD2 4.38Å; L156-V388 HydrophobicContact CD2-CB 4.37Å; L156-V388 HydrophobicContact CD2-CG1 4.45Å; L156-V388 HydrophobicContact CD2-CG2 3.98Å; L156-V388 HydrophobicContact CG-CG2 4.27Å
157	N	93.5	Very high	94.7	Very high	146 Å²	146	36.8 Å²	36.8	78%	0.781	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	47.6	-172	-62.4	-45.6	0	0	0	112.9	E153 K154	E153-N157 PolarHBondContact O-N 3.21Å; K154-N157 PolarHBondContact O-OD1 2.76Å
158	I	92.5	Very high	94.7	Very high	29 Å²	29	36.8 Å²	36.8	15%	0.149	18%	0.183	C	C	.	.			trans	-111.6	138.9	-179.6	-60.5	166.2	0	0	0	110.2	E153 L156 V355 I360	E153-I158 PolarHBondContact O-N 3.11Å; E153-I158 VanDerWaalsContact O-N 3.17Å; L156-I158 HydrophobicContact CB-CD1 3.49Å; L156-I158 VanDerWaalsContact CB-CD1 3.49Å; L156-I158 HydrophobicContact CB-CG1 3.77Å; L156-I158 HydrophobicContact CD1-CD1 3.78Å; L156-I158 HydrophobicContact CG-CD1 4.19Å; I158-V355 HydrophobicContact CG2-CB 4.03Å; I158-V355 HydrophobicContact CG2-CG1 3.57Å; I158-V355 HydrophobicContact CG2-CG2 3.41Å; I158-V355 VanDerWaalsContact CG2-CG2 3.41Å; I158-I360 HydrophobicContact CD1-CB 4.13Å; I158-I360 HydrophobicContact CD1-CD1 3.39Å; I158-I360 HydrophobicContact CD1-CG1 3.66Å; I158-I360 HydrophobicContact CD1-CG2 3.95Å; I158-I360 HydrophobicContact CG1-CD1 4.36Å
159	E	91.5	Very high	94.7	Very high	172 Å²	172	36.8 Å²	36.8	80%	0.804	18%	0.183	S	C	*	.	P	Polyproline II helix	trans	-99.5	131.2	169.6	-63.7	-170.9	156.9	0	0	111.2	V355	E159-V355 WeakPolarHBondContact O-CG2 3.24Å
160	V	92.2	Very high	94.7	Very high	11 Å²	11	36.8 Å²	36.8	7%	0.067	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-80.7	141.8	179.3	172.1	0	0	0	0	110.5	E153 A164 K165	E153-V160 HydrophobicContact CG-CG2 4.26Å; E153-V160 VanDerWaalsContact OE1-CG2 3.24Å; E153-V160 WeakPolarHBondContact OE1-CG2 3.42Å; E153-V160 VanDerWaalsContact OE2-CG2 3.29Å; E153-V160 WeakPolarHBondContact OE2-CG2 3.39Å; V160-A164 HydrophobicContact CG1-CB 3.46Å; V160-A164 VanDerWaalsContact CG1-CB 3.46Å; V160-K165 HydrophobicContact CB-CG 4.44Å; V160-K165 HydrophobicContact CG1-CG 4.27Å; V160-K165 WeakPolarHBondContact O-CE 3.49Å
161	P	94.8	Very high	94.7	Very high	22 Å²	22	35.9 Å²	35.9	14%	0.143	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-59.7	150.1	178.4	24.4	-35.9	0	0	0	112.1	R163 A164 K165 E352	P161-R163 VanDerWaalsContact C-N 3.31Å; P161-R163 PolarHBondContact O-N 3.49Å; P161-A164 HydrophobicContact CG-CB 3.97Å; P161-A164 PolarHBondContact O-N 3.32Å; P161-K165 PolarHBondContact O-N 3.43Å; P161-E352 WeakPolarHBondContact CB-O 3.44Å; P161-E352 WeakPolarHBondContact CG-O 3.24Å
162	P	94	Very high	94.7	Very high	79 Å²	79	35.9 Å²	35.9	51%	0.513	18%	0.178	S	C	.	.	H	α-helix	trans	-59.9	-40.6	-172.4	24	-34.2	0	0	0	112	A164 K165 Y166 P349	P162-A164 VanDerWaalsContact C-N 3.27Å; P162-A164 PolarHBondContact O-N 3.19Å; P162-K165 WeakPolarHBondContact O-CB 3.24Å; P162-K165 PolarHBondContact O-N 3.46Å; P162-Y166 WeakPolarHBondContact O-CD2 3.25Å; P162-Y166 PolarHBondContact O-N 3.08Å; P162-Y166 VanDerWaalsContact O-N 3.08Å; P162-P349 HydrophobicContact CB-CG 4.09Å; P162-P349 HydrophobicContact CG-CG 4.45Å
163	R	95	Very high	94.7	Very high	37 Å²	37	35.9 Å²	35.9	14%	0.14	18%	0.178	C	C	.	.	H	α-helix	trans	-56.4	-41.2	177.1	-176.8	177.5	178.9	77.8	-0	112.2	P161 Y166 I167 D232 P349 G351 I353	P161-R163 VanDerWaalsContact C-N 3.31Å; P161-R163 PolarHBondContact O-N 3.49Å; R163-Y166 PolarHBondContact O-N 2.92Å; R163-I167 HydrophobicContact CG-CD1 4.03Å; R163-I167 VanDerWaalsContact O-CG1 3.32Å; R163-I167 WeakPolarHBondContact O-CG1 3.41Å; R163-I167 PolarHBondContact O-N 2.94Å; R163-D232 IonicContact CZ-OD1 2.86Å; R163-D232 IonicContact CZ-OD2 2.81Å; R163-D232 IonicContact NE-OD1 3.24Å; R163-D232 PolarHBondContact NE-OD1 2.64Å; R163-D232 IonicContact NE-OD2 2.69Å; R163-D232 IonicContact NH2-OD1 3.76Å; R163-D232 PolarHBondContact NH2-OD1 3.23Å; R163-D232 IonicContact NH2-OD2 3.94Å; R163-D232 PolarHBondContact NH2-OD2 3.47Å; R163-P349 HydrophobicContact CB-CG 4.37Å; R163-P349 WeakPolarHBondContact CG-O 3.42Å; R163-P349 PolarHBondContact NH1-O 2.87Å; R163-G351 WeakPolarHBondContact CD-O 3.28Å; R163-I353 HydrophobicContact CG-CG1 4.23Å
164	A	95.3	Very high	94.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-69.8	-35.4	178	0	0	0	0	0	112.5	V160 P161 P162 Y166 I167 R168 V229 I353	V160-A164 HydrophobicContact CG1-CB 3.46Å; V160-A164 VanDerWaalsContact CG1-CB 3.46Å; P161-A164 HydrophobicContact CG-CB 3.97Å; P161-A164 PolarHBondContact O-N 3.32Å; P162-A164 VanDerWaalsContact C-N 3.27Å; P162-A164 PolarHBondContact O-N 3.19Å; A164-Y166 PolarHBondContact O-N 2.82Å; A164-I167 PolarHBondContact O-N 3.21Å; A164-R168 WeakPolarHBondContact O-CB 3.38Å; A164-R168 VanDerWaalsContact O-CG 3.28Å; A164-R168 WeakPolarHBondContact O-CG 3.36Å; A164-R168 PolarHBondContact O-N 2.95Å; A164-V229 HydrophobicContact CB-CG2 4.21Å; A164-I353 HydrophobicContact CB-CG2 4.34Å; A164-I353 VanDerWaalsContact CB-O 3.24Å; A164-I353 WeakPolarHBondContact CB-O 3.42Å
165	K	95.1	Very high	94.9	Very high	67 Å²	67	29.7 Å²	29.7	29%	0.291	15%	0.151	S	C	.	.	H	α-helix	trans	-59	-45.6	172.2	-64.9	-176.1	177.2	-177.1	0	111.6	V160 P161 P162 R168 T169 D306 A307	V160-K165 HydrophobicContact CB-CG 4.44Å; V160-K165 HydrophobicContact CG1-CG 4.27Å; V160-K165 WeakPolarHBondContact O-CE 3.49Å; P161-K165 PolarHBondContact O-N 3.43Å; P162-K165 WeakPolarHBondContact O-CB 3.24Å; P162-K165 PolarHBondContact O-N 3.46Å; K165-R168 PolarHBondContact O-N 3.49Å; K165-T169 WeakPolarHBondContact O-CG2 3.47Å; K165-T169 PolarHBondContact O-N 3.24Å; K165-T169 PolarHBondContact O-OG1 2.76Å; K165-D306 HydrophobicContact CB-CB 4.12Å; K165-D306 HydrophobicContact CG-CB 4.39Å; K165-A307 HydrophobicContact CB-CB 4.29Å
166	Y	95.7	Very high	95	Very high	21 Å²	21	29.1 Å²	29.1	8%	0.082	15%	0.148	C	C	.	.	H	α-helix	trans	-65.6	-38.1	177.2	-83.8	-93.2	0	0	0	113.3	P162 R163 A164 T169 L170 A307 D310 M311 K347 P349	P162-Y166 WeakPolarHBondContact O-CD2 3.25Å; P162-Y166 PolarHBondContact O-N 3.08Å; P162-Y166 VanDerWaalsContact O-N 3.08Å; R163-Y166 PolarHBondContact O-N 2.92Å; A164-Y166 PolarHBondContact O-N 2.82Å; Y166-T169 WeakPolarHBondContact CA-OG1 3.2Å; Y166-T169 PolarHBondContact O-OG1 3.37Å; Y166-L170 WeakPolarHBondContact O-CB 3.4Å; Y166-L170 PolarHBondContact O-N 3.3Å; Y166-A307 HydrophobicContact CD1-CB 4.4Å; Y166-A307 HydrophobicContact CD2-CB 4.08Å; Y166-A307 HydrophobicContact CE1-CB 4.42Å; Y166-A307 HydrophobicContact CE2-CB 4.09Å; Y166-A307 HydrophobicContact CG-CB 4.24Å; Y166-D310 WeakPolarHBondContact OH-CB 3.34Å; Y166-D310 PolarHBondContact OH-OD2 3.13Å; Y166-M311 HydrophobicContact CE1-SD 4.47Å; Y166-K347 HydrophobicContact CE1-CB 3.65Å; Y166-P349 HydrophobicContact CD2-CG 4.06Å; Y166-P349 HydrophobicContact CE2-CG 4.38Å
167	I	95.7	Very high	95.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.9	-44.9	174.9	-68.5	169.6	0	0	0	110	R163 A164 T169 L170 Y171 Y223 V229 M233 I353	R163-I167 HydrophobicContact CG-CD1 4.03Å; R163-I167 VanDerWaalsContact O-CG1 3.32Å; R163-I167 WeakPolarHBondContact O-CG1 3.41Å; R163-I167 PolarHBondContact O-N 2.94Å; A164-I167 PolarHBondContact O-N 3.21Å; I167-T169 PolarHBondContact O-N 2.99Å; I167-L170 PolarHBondContact O-N 3.26Å; I167-Y171 HydrophobicContact CG2-CD2 3.76Å; I167-Y171 HydrophobicContact CG2-CE2 4.04Å; I167-Y171 WeakPolarHBondContact O-CD2 3.49Å; I167-Y171 PolarHBondContact O-N 3.29Å; I167-Y223 HydrophobicContact CG2-CE1 3.74Å; I167-V229 HydrophobicContact CG2-CG1 4.38Å; I167-V229 HydrophobicContact CG2-CG2 4.23Å; I167-M233 HydrophobicContact CD1-CE 4.28Å; I167-M233 HydrophobicContact CD1-CG 4.32Å; I167-M233 HydrophobicContact CG1-CE 3.97Å; I167-M233 HydrophobicContact CG1-SD 4.22Å; I167-I353 HydrophobicContact CD1-CG2 4.48Å
168	R	96.1	Very high	95.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.3	-47.9	176.3	-75.2	175.9	175.5	-171.2	-5	111.6	S149 E153 A164 K165 Y171 S172 I224 R225 G228 V229 D306	S149-R168 PolarHBondContact OG-NH2 3.47Å; E153-R168 IonicContact OE1-CZ 3.12Å; E153-R168 IonicContact OE1-NH1 3.46Å; E153-R168 PolarHBondContact OE1-NH1 2.93Å; E153-R168 IonicContact OE1-NH2 2.74Å; E153-R168 PolarHBondContact OE1-NH2 3.5Å; E153-R168 IonicContact OE2-CZ 2.82Å; E153-R168 IonicContact OE2-NH1 3.37Å; E153-R168 PolarHBondContact OE2-NH1 3.4Å; E153-R168 IonicContact OE2-NH2 2.81Å; A164-R168 WeakPolarHBondContact O-CB 3.38Å; A164-R168 VanDerWaalsContact O-CG 3.28Å; A164-R168 WeakPolarHBondContact O-CG 3.36Å; A164-R168 PolarHBondContact O-N 2.95Å; K165-R168 PolarHBondContact O-N 3.49Å; R168-Y171 PolarHBondContact O-N 3.31Å; R168-S172 VanDerWaalsContact O-CB 3.26Å; R168-S172 WeakPolarHBondContact O-CB 3.5Å; R168-S172 PolarHBondContact O-N 3.26Å; R168-S172 PolarHBondContact O-OG 3.04Å; R168-I224 HydrophobicContact CB-CD1 4.44Å; R168-I224 HydrophobicContact CG-CD1 4.07Å; R168-I224 HydrophobicContact CG-CG1 4.13Å; R168-I224 HydrophobicContact CG-CG2 4.15Å; R168-R225 PolarHBondContact NH2-O 2.7Å; R168-G228 PolarHBondContact NE-O 3.13Å; R168-G228 VanDerWaalsContact NH2-N 3.1Å; R168-G228 PolarHBondContact NH2-O 3.21Å; R168-V229 HydrophobicContact CG-CG2 4.02Å; R168-D306 IonicContact NH1-OD1 3.37Å
169	T	95.4	Very high	95.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.8	-43.9	178.8	54.3	0	0	0	0	111.8	K165 Y166 I167 Y171 S172 E173 D306 A307 Y308 C344	K165-T169 WeakPolarHBondContact O-CG2 3.47Å; K165-T169 PolarHBondContact O-N 3.24Å; K165-T169 PolarHBondContact O-OG1 2.76Å; Y166-T169 WeakPolarHBondContact CA-OG1 3.2Å; Y166-T169 PolarHBondContact O-OG1 3.37Å; I167-T169 PolarHBondContact O-N 2.99Å; T169-Y171 PolarHBondContact O-N 3.24Å; T169-S172 WeakPolarHBondContact CA-OG 3.24Å; T169-S172 PolarHBondContact O-N 2.74Å; T169-S172 PolarHBondContact O-OG 2.65Å; T169-E173 WeakPolarHBondContact O-CG 3.49Å; T169-E173 PolarHBondContact O-N 3.45Å; T169-D306 HydrophobicContact CG2-CB 3.81Å; T169-A307 HydrophobicContact CG2-CB 3.78Å; T169-Y308 HydrophobicContact CG2-CD2 4.03Å; T169-Y308 HydrophobicContact CG2-CE2 3.95Å; T169-C344 PolarHBondContact OG1-SG 3.24Å; T169-C344 VanDerWaalsContact OG1-SG 3.35Å
170	L	96.2	Very high	95.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-56.4	-51.5	176	-178.2	155.2	0	0	0	111.4	Y166 I167 S172 E173 I174 I241 C344 L345 M348	Y166-L170 WeakPolarHBondContact O-CB 3.4Å; Y166-L170 PolarHBondContact O-N 3.3Å; I167-L170 PolarHBondContact O-N 3.26Å; L170-S172 VanDerWaalsContact C-N 3.32Å; L170-S172 PolarHBondContact O-N 3.1Å; L170-E173 PolarHBondContact O-N 2.95Å; L170-I174 HydrophobicContact CD2-CD1 3.48Å; L170-I174 VanDerWaalsContact CD2-CD1 3.48Å; L170-I174 HydrophobicContact CD2-CG1 4.21Å; L170-I174 PolarHBondContact O-N 2.88Å; L170-I241 HydrophobicContact CD2-CD1 4.26Å; L170-C344 HydrophobicContact CB-CB 4.16Å; L170-C344 HydrophobicContact CD1-CB 4.33Å; L170-L345 HydrophobicContact CD1-CD2 3.67Å; L170-L345 HydrophobicContact CD1-CG 4.35Å; L170-M348 HydrophobicContact CB-CE 4.27Å; L170-M348 HydrophobicContact CD1-CE 3.27Å; L170-M348 HydrophobicContact CG-CE 4.37Å
171	Y	96.1	Very high	95.7	Very high	1 Å²	1	10.9 Å²	10.9	0%	0.004	6%	0.056	C	C	.	.	H	α-helix	trans	-68.8	-31.1	-179.4	-86.1	-76.4	0	0	0	112.9	M142 I167 R168 T169 E173 I174 T175 Y211 V214 Y223 M233 L237	M142-Y171 HydrophobicContact CE-CD1 4.29Å; I167-Y171 HydrophobicContact CG2-CD2 3.76Å; I167-Y171 HydrophobicContact CG2-CE2 4.04Å; I167-Y171 WeakPolarHBondContact O-CD2 3.49Å; I167-Y171 PolarHBondContact O-N 3.29Å; R168-Y171 PolarHBondContact O-N 3.31Å; T169-Y171 PolarHBondContact O-N 3.24Å; Y171-E173 VanDerWaalsContact C-N 3.3Å; Y171-E173 PolarHBondContact O-N 3.42Å; Y171-I174 HydrophobicContact CD1-CD1 4.38Å; Y171-I174 HydrophobicContact CE1-CD1 4.35Å; Y171-I174 PolarHBondContact O-N 3.32Å; Y171-T175 PolarHBondContact O-N 3.21Å; Y171-T175 PolarHBondContact O-OG1 3.21Å; Y171-T175 VanDerWaalsContact O-OG1 3.09Å; Y171-Y211 HydrophobicContact CD1-CD1 4.06Å; Y171-Y211 AromaticContact CD1-CE1 3.55Å; Y171-Y211 HydrophobicContact CD1-CE1 3.55Å; Y171-Y211 AromaticContact CE1-CD1 3.85Å; Y171-Y211 HydrophobicContact CE1-CD1 3.85Å; Y171-Y211 AromaticContact CE1-CE1 3.78Å; Y171-Y211 HydrophobicContact CE1-CE1 3.78Å; Y171-V214 HydrophobicContact CE2-CG1 4.47Å; Y171-V214 WeakPolarHBondContact OH-CG2 3.42Å; Y171-Y223 HydrophobicContact CD2-CE1 4.13Å; Y171-Y223 HydrophobicContact CE2-CE1 4.14Å; Y171-M233 HydrophobicContact CE2-CG 4.48Å; Y171-M233 HydrophobicContact CE2-SD 4.01Å; Y171-L237 VanDerWaalsContact OH-CD2 3.3Å; Y171-L237 WeakPolarHBondContact OH-CD2 3.17Å
172	S	95.1	Very high	95.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.4	-35.9	173.9	75.7	0	0	0	0	112.2	Q146 R168 T169 L170 T175 R176 Y308	Q146-S172 VanDerWaalsContact OE1-CB 3.23Å; R168-S172 VanDerWaalsContact O-CB 3.26Å; R168-S172 WeakPolarHBondContact O-CB 3.5Å; R168-S172 PolarHBondContact O-N 3.26Å; R168-S172 PolarHBondContact O-OG 3.04Å; T169-S172 WeakPolarHBondContact CA-OG 3.24Å; T169-S172 PolarHBondContact O-N 2.74Å; T169-S172 PolarHBondContact O-OG 2.65Å; L170-S172 VanDerWaalsContact C-N 3.32Å; L170-S172 PolarHBondContact O-N 3.1Å; S172-T175 VanDerWaalsContact CA-OG1 3.22Å; S172-T175 WeakPolarHBondContact CA-OG1 3.44Å; S172-T175 PolarHBondContact O-N 3.2Å; S172-T175 PolarHBondContact O-OG1 3.41Å; S172-R176 PolarHBondContact O-N 3.26Å; S172-Y308 PolarHBondContact OG-OH 3.16Å
173	E	96.4	Very high	95.7	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-77.7	-33.2	176.4	-67.7	-59.7	138.8	0	0	112	T169 L170 Y171 R176 I177 R300 Y308 S337 I340 M341	T169-E173 WeakPolarHBondContact O-CG 3.49Å; T169-E173 PolarHBondContact O-N 3.45Å; L170-E173 PolarHBondContact O-N 2.95Å; Y171-E173 VanDerWaalsContact C-N 3.3Å; Y171-E173 PolarHBondContact O-N 3.42Å; E173-R176 WeakPolarHBondContact O-CB 3.48Å; E173-R176 PolarHBondContact O-N 3.19Å; E173-R176 VanDerWaalsContact O-N 3.14Å; E173-R176 IonicContact OE1-CZ 2.96Å; E173-R176 IonicContact OE1-NE 2.76Å; E173-R176 PolarHBondContact OE1-NE 3.49Å; E173-R176 VanDerWaalsContact OE1-NE 3.08Å; E173-R176 IonicContact OE1-NH2 2.65Å; E173-R176 IonicContact OE2-NE 3.29Å; E173-R176 PolarHBondContact OE2-NE 2.84Å; E173-I177 WeakPolarHBondContact O-CG1 3.35Å; E173-I177 PolarHBondContact O-N 3.39Å; E173-R300 IonicContact OE1-NH1 2.81Å; E173-R300 PolarHBondContact OE1-NH1 3.01Å; E173-R300 IonicContact OE2-NH1 2.84Å; E173-Y308 WeakPolarHBondContact OE1-CE1 3.12Å; E173-Y308 PolarHBondContact OE1-OH 3.38Å; E173-S337 WeakPolarHBondContact OE2-CA 3.33Å; E173-S337 WeakPolarHBondContact OE2-CB 3.43Å; E173-S337 PolarHBondContact OE2-OG 2.84Å; E173-I340 HydrophobicContact CG-CB 4.1Å; E173-I340 HydrophobicContact CG-CD1 4.25Å; E173-I340 HydrophobicContact CG-CG2 3.75Å; E173-M341 HydrophobicContact CB-CG 3.95Å
174	I	96.4	Very high	95.7	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.005	3%	0.026	C	C	.	.	H	α-helix	trans	-60.6	-46.4	167.8	-65.3	176.8	0	0	0	110.5	L170 Y171 R176 I177 M178 M207 F210 Y211 M341	L170-I174 HydrophobicContact CD2-CD1 3.48Å; L170-I174 VanDerWaalsContact CD2-CD1 3.48Å; L170-I174 HydrophobicContact CD2-CG1 4.21Å; L170-I174 PolarHBondContact O-N 2.88Å; Y171-I174 HydrophobicContact CD1-CD1 4.38Å; Y171-I174 HydrophobicContact CE1-CD1 4.35Å; Y171-I174 PolarHBondContact O-N 3.32Å; I174-R176 PolarHBondContact O-N 3.35Å; I174-I177 PolarHBondContact O-N 3.13Å; I174-M178 HydrophobicContact CG2-CG 4.46Å; I174-M178 WeakPolarHBondContact O-CG 3.49Å; I174-M178 PolarHBondContact O-N 3.41Å; I174-M207 HydrophobicContact CG2-CB 4.14Å; I174-M207 HydrophobicContact CG2-CG 4.19Å; I174-M207 HydrophobicContact CG2-SD 4.14Å; I174-F210 HydrophobicContact CD1-CD2 4.49Å; I174-Y211 HydrophobicContact CB-CE1 4.45Å; I174-Y211 HydrophobicContact CG2-CE1 3.75Å; I174-M341 HydrophobicContact CD1-CE 3.91Å; I174-M341 HydrophobicContact CG1-CE 3.44Å; I174-M341 VanDerWaalsContact CG1-CE 3.44Å; I174-M341 HydrophobicContact CG1-SD 3.78Å
175	T	96.7	Very high	95.6	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-59.5	-34.7	173.6	36.4	0	0	0	0	112.9	M141 M142 C143 Y171 S172 M178 N179 Y211	M141-T175 HydrophobicContact SD-CG2 4.3Å; M142-T175 HydrophobicContact CB-CG2 3.69Å; M142-T175 HydrophobicContact CG-CG2 3.99Å; C143-T175 PolarHBondContact SG-OG1 3.3Å; Y171-T175 PolarHBondContact O-N 3.21Å; Y171-T175 PolarHBondContact O-OG1 3.21Å; Y171-T175 VanDerWaalsContact O-OG1 3.09Å; S172-T175 VanDerWaalsContact CA-OG1 3.22Å; S172-T175 WeakPolarHBondContact CA-OG1 3.44Å; S172-T175 PolarHBondContact O-N 3.2Å; S172-T175 PolarHBondContact O-OG1 3.41Å; T175-M178 HydrophobicContact CG2-CE 3.94Å; T175-M178 PolarHBondContact O-N 3.44Å; T175-N179 WeakPolarHBondContact O-CB 3.3Å; T175-N179 PolarHBondContact O-N 2.83Å; T175-Y211 HydrophobicContact CG2-CE2 4.42Å; T175-Y211 WeakPolarHBondContact CG2-OH 3.17Å
176	R	96.8	Very high	95.5	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-64.7	-47.7	178.4	-167.7	177.3	-51.3	-78.2	-6.7	111.2	S172 E173 I174 N179 H180 R300 S337 E398 P400	S172-R176 PolarHBondContact O-N 3.26Å; E173-R176 WeakPolarHBondContact O-CB 3.48Å; E173-R176 PolarHBondContact O-N 3.19Å; E173-R176 VanDerWaalsContact O-N 3.14Å; E173-R176 IonicContact OE1-CZ 2.96Å; E173-R176 IonicContact OE1-NE 2.76Å; E173-R176 PolarHBondContact OE1-NE 3.49Å; E173-R176 VanDerWaalsContact OE1-NE 3.08Å; E173-R176 IonicContact OE1-NH2 2.65Å; E173-R176 IonicContact OE2-NE 3.29Å; E173-R176 PolarHBondContact OE2-NE 2.84Å; I174-R176 PolarHBondContact O-N 3.35Å; R176-N179 PolarHBondContact O-N 2.87Å; R176-H180 VanDerWaalsContact CG-NE2 3.34Å; R176-H180 WeakPolarHBondContact CG-NE2 3.29Å; R176-H180 PolarHBondContact O-CD2 2.96Å; R176-H180 PolarHBondContact O-N 3.35Å; R176-R300 VanDerWaalsContact NE-NH1 3.15Å; R176-S337 WeakPolarHBondContact CD-OG 3.46Å; R176-E398 PolarHBondContact NH1-O 3.36Å; R176-E398 PolarHBondContact NH2-O 3.27Å; R176-P400 HydrophobicContact CB-CG 4.04Å; R176-P400 HydrophobicContact CG-CB 4.11Å; R176-P400 HydrophobicContact CG-CG 4.12Å
177	I	96.7	Very high	95.4	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-59.9	-48.4	174.1	-61.9	172.9	0	0	0	110.2	E173 I174 N179 H180 C181 M207 F248 L338 M341	E173-I177 WeakPolarHBondContact O-CG1 3.35Å; E173-I177 PolarHBondContact O-N 3.39Å; I174-I177 PolarHBondContact O-N 3.13Å; I177-N179 VanDerWaalsContact C-N 3.33Å; I177-N179 PolarHBondContact O-N 3Å; I177-H180 PolarHBondContact O-N 3.14Å; I177-C181 WeakPolarHBondContact O-CB 3.43Å; I177-C181 PolarHBondContact O-N 3.3Å; I177-C181 PolarHBondContact O-SG 2.83Å; I177-M207 HydrophobicContact CB-SD 4.16Å; I177-M207 HydrophobicContact CG2-CE 3.89Å; I177-M207 HydrophobicContact CG2-SD 3.85Å; I177-F248 HydrophobicContact CG2-CD1 4.47Å; I177-F248 HydrophobicContact CG2-CE1 3.53Å; I177-F248 HydrophobicContact CG2-CE2 4.28Å; I177-F248 HydrophobicContact CG2-CZ 3.42Å; I177-F248 VanDerWaalsContact CG2-CZ 3.42Å; I177-L338 HydrophobicContact CD1-CD2 3.73Å; I177-L338 HydrophobicContact CD1-CG 4.12Å; I177-M341 HydrophobicContact CD1-SD 3.62Å
178	M	95.7	Very high	95.3	Very high	1 Å²	1	3.1 Å²	3.1	1%	0.005	2%	0.019	C	C	.	.	H	α-helix	trans	-58.6	-41.5	179.1	-73.2	-164.6	-56	0	0	113.5	I174 T175 L182 R204 M207 F208 Y211	I174-M178 HydrophobicContact CG2-CG 4.46Å; I174-M178 WeakPolarHBondContact O-CG 3.49Å; I174-M178 PolarHBondContact O-N 3.41Å; T175-M178 HydrophobicContact CG2-CE 3.94Å; T175-M178 PolarHBondContact O-N 3.44Å; M178-L182 PolarHBondContact O-N 3.2Å; M178-L182 VanDerWaalsContact O-N 3.14Å; M178-R204 HydrophobicContact CG-CG 4.34Å; M178-M207 HydrophobicContact CG-CB 3.75Å; M178-M207 HydrophobicContact CG-CE 3.8Å; M178-M207 HydrophobicContact CG-CG 4.21Å; M178-M207 HydrophobicContact CG-SD 3.45Å; M178-M207 WeakPolarHBondContact CG-SD 3.04Å; M178-M207 HydrophobicContact SD-CB 3.74Å; M178-F208 HydrophobicContact SD-CD1 3.9Å; M178-F208 HydrophobicContact SD-CE1 3.75Å; M178-Y211 HydrophobicContact CE-CD2 4.33Å; M178-Y211 HydrophobicContact CE-CE1 4.16Å; M178-Y211 HydrophobicContact CE-CE2 3.36Å; M178-Y211 WeakPolarHBondContact CE-OH 3.34Å; M178-Y211 HydrophobicContact SD-CE2 4.37Å
179	N	96.2	Very high	95.3	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-67.9	-45.5	177.7	-176.1	76.7	0	0	0	111.2	A139 T175 R176 I177 C181 L182 A183 P400 K401 D452	A139-N179 WeakPolarHBondContact CB-OD1 3.47Å; T175-N179 WeakPolarHBondContact O-CB 3.3Å; T175-N179 PolarHBondContact O-N 2.83Å; R176-N179 PolarHBondContact O-N 2.87Å; I177-N179 VanDerWaalsContact C-N 3.33Å; I177-N179 PolarHBondContact O-N 3Å; N179-C181 VanDerWaalsContact C-N 3.33Å; N179-C181 PolarHBondContact O-N 3.39Å; N179-L182 WeakPolarHBondContact O-CB 3.48Å; N179-L182 PolarHBondContact O-N 2.89Å; N179-L182 VanDerWaalsContact O-N 3.13Å; N179-A183 WeakPolarHBondContact O-CB 3.49Å; N179-A183 PolarHBondContact O-N 3.28Å; N179-P400 HydrophobicContact CB-CB 3.63Å; N179-P400 HydrophobicContact CB-CG 3.96Å; N179-P400 WeakPolarHBondContact ND2-CB 3.43Å; N179-K401 VanDerWaalsContact OD1-CE 3.24Å; N179-K401 WeakPolarHBondContact OD1-CE 3.5Å; N179-K401 PolarHBondContact OD1-NZ 3.21Å; N179-D452 PolarHBondContact ND2-OD2 3.17Å
180	H	96.2	Very high	95.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64.3	-36.7	177	-66.5	-39.5	0	0	0	112.5	R176 I177 L182 A183 V184 E333 M334 P400	R176-H180 VanDerWaalsContact CG-NE2 3.34Å; R176-H180 WeakPolarHBondContact CG-NE2 3.29Å; R176-H180 PolarHBondContact O-CD2 2.96Å; R176-H180 PolarHBondContact O-N 3.35Å; I177-H180 PolarHBondContact O-N 3.14Å; H180-L182 VanDerWaalsContact C-N 3.3Å; H180-L182 PolarHBondContact O-N 3.48Å; H180-A183 PolarHBondContact O-N 3.29Å; H180-V184 VanDerWaalsContact O-CB 3.26Å; H180-V184 WeakPolarHBondContact O-CB 3.47Å; H180-V184 VanDerWaalsContact O-CG2 3.22Å; H180-V184 WeakPolarHBondContact O-CG2 3.43Å; H180-V184 PolarHBondContact O-N 3.27Å; H180-E333 IonicContact CE1-OE2 3.34Å; H180-E333 IonicContact NE2-OE2 3.39Å; H180-E333 PolarHBondContact NE2-OE2 3.23Å; H180-M334 HydrophobicContact CB-CE 4.4Å; H180-M334 HydrophobicContact CB-CG 3.52Å; H180-M334 HydrophobicContact CB-SD 3.66Å; H180-P400 PolarHBondContact CE1-O 3.32Å
181	C	95	Very high	95	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-58.6	-42.2	171.5	-71.5	0	0	0	0	111.8	I177 N179 G185 L200	I177-C181 WeakPolarHBondContact O-CB 3.43Å; I177-C181 PolarHBondContact O-N 3.3Å; I177-C181 PolarHBondContact O-SG 2.83Å; N179-C181 VanDerWaalsContact C-N 3.33Å; N179-C181 PolarHBondContact O-N 3.39Å; C181-G185 PolarHBondContact O-N 3.49Å; C181-L200 HydrophobicContact CB-CB 4.31Å; C181-L200 HydrophobicContact CB-CD2 4.31Å; C181-L200 WeakPolarHBondContact O-CD1 3.35Å
182	L	94.4	Very high	94.8	Very high	29 Å²	29	12.4 Å²	12.4	15%	0.152	8%	0.08	C	C	.	.	H	α-helix	trans	-66.2	-47.8	175.8	-177.7	63.1	0	0	0	111.1	A139 M178 N179 H180 G185 S186 F201	A139-L182 HydrophobicContact CB-CD2 3.85Å; M178-L182 PolarHBondContact O-N 3.2Å; M178-L182 VanDerWaalsContact O-N 3.14Å; N179-L182 WeakPolarHBondContact O-CB 3.48Å; N179-L182 PolarHBondContact O-N 2.89Å; N179-L182 VanDerWaalsContact O-N 3.13Å; H180-L182 VanDerWaalsContact C-N 3.3Å; H180-L182 PolarHBondContact O-N 3.48Å; L182-G185 PolarHBondContact O-N 2.7Å; L182-S186 VanDerWaalsContact O-CB 3.29Å; L182-S186 WeakPolarHBondContact O-CB 3.31Å; L182-S186 PolarHBondContact O-N 3Å; L182-S186 PolarHBondContact O-OG 2.94Å; L182-F201 HydrophobicContact CD1-CE1 3.86Å; L182-F201 HydrophobicContact CD1-CZ 3.76Å
183	A	94.1	Very high	94.6	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.008	9%	0.094	C	C	.	.	H	α-helix	trans	-63.8	-46.8	-177.8	0	0	0	0	0	112.7	N179 H180 S186 T187 D452	N179-A183 WeakPolarHBondContact O-CB 3.49Å; N179-A183 PolarHBondContact O-N 3.28Å; H180-A183 PolarHBondContact O-N 3.29Å; A183-S186 PolarHBondContact O-OG 2.95Å; A183-T187 VanDerWaalsContact O-CB 3.32Å; A183-T187 WeakPolarHBondContact O-CB 3.31Å; A183-T187 WeakPolarHBondContact O-CG2 3.45Å; A183-T187 PolarHBondContact O-N 3.18Å; A183-T187 PolarHBondContact O-OG1 3.26Å; A183-D452 HydrophobicContact CB-CB 4.26Å
184	V	94.2	Very high	94.4	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.006	12%	0.12	C	C	.	.	H	α-helix	trans	-64	-45.8	175.1	170.1	0	0	0	0	109.9	H180 T187 V188 L200 I255 F327 R330 M331 M334	H180-V184 VanDerWaalsContact O-CB 3.26Å; H180-V184 WeakPolarHBondContact O-CB 3.47Å; H180-V184 VanDerWaalsContact O-CG2 3.22Å; H180-V184 WeakPolarHBondContact O-CG2 3.43Å; H180-V184 PolarHBondContact O-N 3.27Å; V184-T187 WeakPolarHBondContact CA-OG1 3.38Å; V184-T187 PolarHBondContact O-OG1 3.3Å; V184-V188 WeakPolarHBondContact O-CG2 3.31Å; V184-V188 PolarHBondContact O-N 3.36Å; V184-L200 HydrophobicContact CB-CD1 4.27Å; V184-L200 HydrophobicContact CG1-CD1 3.97Å; V184-I255 HydrophobicContact CG1-CG2 4.36Å; V184-F327 HydrophobicContact CB-CE2 4.18Å; V184-F327 HydrophobicContact CG1-CE2 3.59Å; V184-F327 HydrophobicContact CG1-CZ 3.88Å; V184-F327 HydrophobicContact CG2-CD2 4.47Å; V184-F327 HydrophobicContact CG2-CE2 4.05Å; V184-R330 HydrophobicContact CG2-CB 4.28Å; V184-M331 HydrophobicContact CG1-SD 4.04Å; V184-M331 HydrophobicContact CG2-SD 4.16Å; V184-M334 HydrophobicContact CG2-CE 4.12Å
185	G	94.2	Very high	94.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.2	-43.3	178.8	0	0	0	0	0	113.3	C181 L182 L189	C181-G185 PolarHBondContact O-N 3.49Å; L182-G185 PolarHBondContact O-N 2.7Å; G185-L189 WeakPolarHBondContact O-CB 3.49Å; G185-L189 PolarHBondContact O-N 3.32Å; G185-L189 VanDerWaalsContact O-N 3.13Å
186	S	93	Very high	94.2	Very high	22 Å²	22	21.9 Å²	21.9	15%	0.154	14%	0.139	C	C	.	.	H	α-helix	trans	-73.4	-42.7	-178.4	65.3	0	0	0	0	112.4	L182 A183 V188 L189 D190	L182-S186 VanDerWaalsContact O-CB 3.29Å; L182-S186 WeakPolarHBondContact O-CB 3.31Å; L182-S186 PolarHBondContact O-N 3Å; L182-S186 PolarHBondContact O-OG 2.94Å; A183-S186 PolarHBondContact O-OG 2.95Å; S186-V188 VanDerWaalsContact C-N 3.27Å; S186-V188 PolarHBondContact O-N 3.42Å; S186-L189 WeakPolarHBondContact O-CB 3.16Å; S186-L189 PolarHBondContact O-N 2.97Å; S186-L189 VanDerWaalsContact O-N 3.13Å; S186-D190 WeakPolarHBondContact O-CB 3.38Å; S186-D190 VanDerWaalsContact O-CG 3.26Å; S186-D190 PolarHBondContact O-N 3.16Å
187	T	93.4	Very high	94.1	Very high	7 Å²	7	22.9 Å²	22.9	4%	0.043	14%	0.144	C	C	.	.	H	α-helix	trans	-56.9	-43.1	175.6	46.4	0	0	0	0	112	A183 V184 D190 I191 G449	A183-T187 VanDerWaalsContact O-CB 3.32Å; A183-T187 WeakPolarHBondContact O-CB 3.31Å; A183-T187 WeakPolarHBondContact O-CG2 3.45Å; A183-T187 PolarHBondContact O-N 3.18Å; A183-T187 PolarHBondContact O-OG1 3.26Å; V184-T187 WeakPolarHBondContact CA-OG1 3.38Å; V184-T187 PolarHBondContact O-OG1 3.3Å; T187-D190 PolarHBondContact O-N 3.16Å; T187-I191 WeakPolarHBondContact O-CG1 3.37Å; T187-I191 PolarHBondContact O-N 3.36Å; T187-G449 WeakPolarHBondContact CG2-O 3.45Å
188	V	94.3	Very high	94.1	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	17%	0.173	C	C	.	.	H	α-helix	trans	-67	-41.2	178.2	178.5	0	0	0	0	110.9	V184 S186 I191 G192 G193 P196 L259 W265 F327	V184-V188 WeakPolarHBondContact O-CG2 3.31Å; V184-V188 PolarHBondContact O-N 3.36Å; S186-V188 VanDerWaalsContact C-N 3.27Å; S186-V188 PolarHBondContact O-N 3.42Å; V188-I191 PolarHBondContact O-N 3Å; V188-G192 PolarHBondContact O-N 2.69Å; V188-G192 VanDerWaalsContact O-N 3.13Å; V188-G193 CarbonylContact C-O 3.37Å; V188-G193 WeakPolarHBondContact O-CA 3.32Å; V188-G193 PolarHBondContact O-N 3Å; V188-P196 HydrophobicContact CG1-CG 3.92Å; V188-L259 HydrophobicContact CG1-CD2 4.1Å; V188-L259 HydrophobicContact CG2-CD1 3.59Å; V188-L259 HydrophobicContact CG2-CD2 4.05Å; V188-W265 HydrophobicContact CB-CH2 4.38Å; V188-W265 HydrophobicContact CB-CZ3 4.27Å; V188-W265 HydrophobicContact CG1-CZ3 4.48Å; V188-W265 HydrophobicContact CG2-CH2 3.6Å; V188-W265 HydrophobicContact CG2-CZ2 4.23Å; V188-W265 HydrophobicContact CG2-CZ3 3.83Å; V188-F327 HydrophobicContact CG2-CE2 4.3Å
189	L	94.9	Very high	94.1	Very high	70 Å²	70	34.1 Å²	34.1	37%	0.366	19%	0.191	S	C	.	.	H	α-helix	trans	-61.4	-44.3	176	-174.5	68.3	0	0	0	112.4	G185 S186 I191 G192 G193 I194 I197	G185-L189 WeakPolarHBondContact O-CB 3.49Å; G185-L189 PolarHBondContact O-N 3.32Å; G185-L189 VanDerWaalsContact O-N 3.13Å; S186-L189 WeakPolarHBondContact O-CB 3.16Å; S186-L189 PolarHBondContact O-N 2.97Å; S186-L189 VanDerWaalsContact O-N 3.13Å; L189-I191 VanDerWaalsContact C-N 3.29Å; L189-I191 PolarHBondContact O-N 3Å; L189-G192 WeakPolarHBondContact O-CA 3.42Å; L189-G192 PolarHBondContact O-N 3.26Å; L189-G193 VanDerWaalsContact CA-O 3.23Å; L189-G193 WeakPolarHBondContact CA-O 3.4Å; L189-G193 PolarHBondContact N-O 3.49Å; L189-I194 HydrophobicContact CD1-CG1 4.1Å; L189-I197 HydrophobicContact CD2-CD1 3.83Å
190	D	93.2	Very high	94	Very high	35 Å²	35	34.2 Å²	34.2	19%	0.187	19%	0.191	C	C	.	.	H	α-helix	trans	-67	-30.7	-178.1	-71	-29.7	0	0	0	112.3	H89 S186 T187 G192 V445	H89-D190 IonicContact CE1-OD2 2.63Å; S186-D190 WeakPolarHBondContact O-CB 3.38Å; S186-D190 VanDerWaalsContact O-CG 3.26Å; S186-D190 PolarHBondContact O-N 3.16Å; T187-D190 PolarHBondContact O-N 3.16Å; D190-G192 VanDerWaalsContact C-N 3.32Å; D190-V445 HydrophobicContact CB-CG1 3.76Å
191	I	91.8	Very high	94	Very high	39 Å²	39	37.9 Å²	37.9	20%	0.2	21%	0.207	C	C	.	.	H	α-helix	trans	-79	-17.2	172.7	-68.6	165.6	0	0	0	111.8	T187 V188 L189 W265 R268 T269 A446	T187-I191 WeakPolarHBondContact O-CG1 3.37Å; T187-I191 PolarHBondContact O-N 3.36Å; V188-I191 PolarHBondContact O-N 3Å; L189-I191 VanDerWaalsContact C-N 3.29Å; L189-I191 PolarHBondContact O-N 3Å; I191-W265 HydrophobicContact CB-CZ3 3.96Å; I191-W265 HydrophobicContact CD1-CE3 4.11Å; I191-W265 HydrophobicContact CD1-CH2 3.54Å; I191-W265 HydrophobicContact CD1-CZ3 3.29Å; I191-W265 HydrophobicContact CG1-CZ3 4.17Å; I191-W265 HydrophobicContact CG2-CE3 4.23Å; I191-W265 HydrophobicContact CG2-CZ3 4.07Å; I191-R268 HydrophobicContact CG2-CB 4.05Å; I191-R268 HydrophobicContact CG2-CG 4.18Å; I191-T269 HydrophobicContact CD1-CG2 3.85Å; I191-A446 HydrophobicContact CD1-CB 4.01Å; I191-A446 HydrophobicContact CG1-CB 4.16Å
192	G	91.5	Very high	94.1	Very high	53 Å²	53	42.3 Å²	42.3	55%	0.546	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	119	0.3	173.3	0	0	0	0	0	115.3	V188 L189 D190	V188-G192 PolarHBondContact O-N 2.69Å; V188-G192 VanDerWaalsContact O-N 3.13Å; L189-G192 WeakPolarHBondContact O-CA 3.42Å; L189-G192 PolarHBondContact O-N 3.26Å; D190-G192 VanDerWaalsContact C-N 3.32Å
193	G	91.2	Very high	94.1	Very high	28 Å²	28	41.1 Å²	41.1	29%	0.289	22%	0.221	S	C	.	.			trans	-82.7	115.1	175.9	0	0	0	0	0	111.9	V188 L189	V188-G193 CarbonylContact C-O 3.37Å; V188-G193 WeakPolarHBondContact O-CA 3.32Å; V188-G193 PolarHBondContact O-N 3Å; L189-G193 VanDerWaalsContact CA-O 3.23Å; L189-G193 WeakPolarHBondContact CA-O 3.4Å; L189-G193 PolarHBondContact N-O 3.49Å
194	I	93.7	Very high	94.2	Very high	105 Å²	105	42.5 Å²	42.5	54%	0.538	23%	0.226	S	C	.	.			trans	-93	-25.6	-171.5	-65.1	172	0	0	0	112.8	L189 I197 F198	L189-I194 HydrophobicContact CD1-CG1 4.1Å; I194-I197 WeakPolarHBondContact O-CG2 3.48Å; I194-F198 HydrophobicContact CG2-CD2 4.27Å; I194-F198 HydrophobicContact CG2-CE2 3.56Å; I194-F198 VanDerWaalsContact O-CD2 3.24Å; I194-F198 WeakPolarHBondContact O-CD2 3.42Å
195	T	94.6	Very high	94.3	Very high	66 Å²	66	46.3 Å²	46.3	41%	0.405	24%	0.244	S	C	.	.	H	α-helix	trans	-73.6	-42.9	-168	52.6	0	0	0	0	115.5	I197 F198	T195-I197 VanDerWaalsContact C-N 3.32Å; T195-I197 PolarHBondContact O-N 3.15Å; T195-F198 PolarHBondContact O-N 2.82Å
196	P	94.2	Very high	94.3	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-68.4	-28.5	-169.7	-25.8	40.5	0	0	0	114	V188 F198 W199 L200 L258	V188-P196 HydrophobicContact CG1-CG 3.92Å; P196-F198 VanDerWaalsContact C-N 3.27Å; P196-F198 PolarHBondContact O-N 3.31Å; P196-W199 PolarHBondContact O-N 3.35Å; P196-L200 WeakPolarHBondContact O-CB 3.17Å; P196-L200 WeakPolarHBondContact O-CG 3.38Å; P196-L200 PolarHBondContact O-N 3.19Å; P196-L258 HydrophobicContact CG-CD2 4.22Å
197	I	94.2	Very high	94.5	Very high	21 Å²	21	48.6 Å²	48.6	11%	0.108	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-38	177.8	-163.3	172.6	0	0	0	111.7	L189 I194 T195 F201	L189-I197 HydrophobicContact CD2-CD1 3.83Å; I194-I197 WeakPolarHBondContact O-CG2 3.48Å; T195-I197 VanDerWaalsContact C-N 3.32Å; T195-I197 PolarHBondContact O-N 3.15Å; I197-F201 HydrophobicContact CD1-CE1 4.4Å; I197-F201 HydrophobicContact CD1-CE2 3.98Å; I197-F201 HydrophobicContact CD1-CZ 3.78Å; I197-F201 HydrophobicContact CG1-CD1 4.16Å; I197-F201 HydrophobicContact CG1-CD2 4.19Å; I197-F201 HydrophobicContact CG1-CE1 3.8Å; I197-F201 HydrophobicContact CG1-CE2 3.82Å; I197-F201 HydrophobicContact CG1-CG 4.36Å; I197-F201 HydrophobicContact CG1-CZ 3.62Å; I197-F201 VanDerWaalsContact O-CB 3.25Å; I197-F201 WeakPolarHBondContact O-CB 3.43Å; I197-F201 WeakPolarHBondContact O-CD1 3.42Å; I197-F201 VanDerWaalsContact O-CG 3.22Å; I197-F201 WeakPolarHBondContact O-CG 3.34Å; I197-F201 PolarHBondContact O-N 2.94Å
198	F	95.9	Very high	94.6	Very high	139 Å²	139	49.2 Å²	49.2	61%	0.61	25%	0.254	S	S	*	.	H	α-helix	trans	-70.8	-39.2	179.1	-67.5	-67.7	0	0	0	112	I194 T195 P196 E202	I194-F198 HydrophobicContact CG2-CD2 4.27Å; I194-F198 HydrophobicContact CG2-CE2 3.56Å; I194-F198 VanDerWaalsContact O-CD2 3.24Å; I194-F198 WeakPolarHBondContact O-CD2 3.42Å; T195-F198 PolarHBondContact O-N 2.82Å; P196-F198 VanDerWaalsContact C-N 3.27Å; P196-F198 PolarHBondContact O-N 3.31Å; F198-E202 PolarHBondContact O-N 3.29Å
199	W	95.8	Very high	94.7	Very high	98 Å²	98	53.9 Å²	53.9	37%	0.371	28%	0.275	S	S	.	.	H	α-helix	trans	-66.7	-45	177	-57.3	-16.2	0	0	0	111.3	P196 E202 I255 L258	P196-W199 PolarHBondContact O-N 3.35Å; W199-E202 PolarHBondContact O-N 3.3Å; W199-I255 HydrophobicContact CE3-CG1 4.27Å; W199-L258 HydrophobicContact CH2-CD1 3.74Å; W199-L258 HydrophobicContact CZ3-CD1 3.8Å
200	L	95.4	Very high	94.8	Very high	1 Å²	1	51 Å²	51	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-68.3	-34.6	178.9	-73.2	175.1	0	0	0	112.8	C181 V184 P196 E202 E203 R204 I255	C181-L200 HydrophobicContact CB-CB 4.31Å; C181-L200 HydrophobicContact CB-CD2 4.31Å; C181-L200 WeakPolarHBondContact O-CD1 3.35Å; V184-L200 HydrophobicContact CB-CD1 4.27Å; V184-L200 HydrophobicContact CG1-CD1 3.97Å; P196-L200 WeakPolarHBondContact O-CB 3.17Å; P196-L200 WeakPolarHBondContact O-CG 3.38Å; P196-L200 PolarHBondContact O-N 3.19Å; L200-E202 VanDerWaalsContact C-N 3.32Å; L200-E203 PolarHBondContact O-N 2.86Å; L200-R204 WeakPolarHBondContact O-CB 3.46Å; L200-R204 PolarHBondContact O-N 3.04Å; L200-I255 HydrophobicContact CD1-CD1 3.91Å; L200-I255 HydrophobicContact CD2-CD1 3.18Å; L200-I255 HydrophobicContact CG-CD1 3.42Å; L200-I255 VanDerWaalsContact CG-CD1 3.42Å
201	F	95.5	Very high	94.9	Very high	78 Å²	78	49.4 Å²	49.4	34%	0.342	25%	0.251	S	S	.	.	H	α-helix	trans	-71.1	-27.8	178.9	-79.1	10.3	0	0	0	112.9	L182 I197 R204 E205	L182-F201 HydrophobicContact CD1-CE1 3.86Å; L182-F201 HydrophobicContact CD1-CZ 3.76Å; I197-F201 HydrophobicContact CD1-CE1 4.4Å; I197-F201 HydrophobicContact CD1-CE2 3.98Å; I197-F201 HydrophobicContact CD1-CZ 3.78Å; I197-F201 HydrophobicContact CG1-CD1 4.16Å; I197-F201 HydrophobicContact CG1-CD2 4.19Å; I197-F201 HydrophobicContact CG1-CE1 3.8Å; I197-F201 HydrophobicContact CG1-CE2 3.82Å; I197-F201 HydrophobicContact CG1-CG 4.36Å; I197-F201 HydrophobicContact CG1-CZ 3.62Å; I197-F201 VanDerWaalsContact O-CB 3.25Å; I197-F201 WeakPolarHBondContact O-CB 3.43Å; I197-F201 WeakPolarHBondContact O-CD1 3.42Å; I197-F201 VanDerWaalsContact O-CG 3.22Å; I197-F201 WeakPolarHBondContact O-CG 3.34Å; I197-F201 PolarHBondContact O-N 2.94Å; F201-R204 PolarHBondContact O-N 2.98Å; F201-E205 WeakPolarHBondContact O-CB 2.98Å; F201-E205 PolarHBondContact O-N 3.15Å
202	E	96.2	Very high	95.1	Very high	93 Å²	93	51.7 Å²	51.7	44%	0.435	26%	0.261	S	S	.	.	H	α-helix	trans	-60.6	-46.1	169.2	-169.1	-161.8	136.9	0	0	111	F198 W199 L200 E205 K206 R251	F198-E202 PolarHBondContact O-N 3.29Å; W199-E202 PolarHBondContact O-N 3.3Å; L200-E202 VanDerWaalsContact C-N 3.32Å; E202-E205 WeakPolarHBondContact O-CB 3.35Å; E202-E205 PolarHBondContact O-N 2.94Å; E202-K206 PolarHBondContact O-N 3.48Å; E202-K206 IonicContact OE1-NZ 3.01Å; E202-K206 PolarHBondContact OE1-NZ 3.11Å; E202-R251 IonicContact OE1-NH2 2.83Å; E202-R251 IonicContact OE2-NH2 2.65Å
203	E	95.1	Very high	95.3	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.019	25%	0.251	C	S	.	.	H	α-helix	trans	-69.9	-34.6	177.7	-59.6	-55.1	150.1	0	0	112	L200 E205 K206 M207 F244 F248 R251	L200-E203 PolarHBondContact O-N 2.86Å; E203-E205 VanDerWaalsContact C-N 3.31Å; E203-E205 PolarHBondContact O-N 3.46Å; E203-K206 WeakPolarHBondContact O-CB 3.5Å; E203-K206 PolarHBondContact O-N 2.8Å; E203-K206 IonicContact OE1-NZ 2.64Å; E203-K206 PolarHBondContact OE1-NZ 3.37Å; E203-K206 WeakPolarHBondContact OE2-CD 3.5Å; E203-K206 IonicContact OE2-NZ 3.75Å; E203-K206 PolarHBondContact OE2-NZ 3.02Å; E203-M207 PolarHBondContact O-N 3.48Å; E203-F244 HydrophobicContact CB-CE2 4.22Å; E203-F244 WeakPolarHBondContact OE2-CE2 3.46Å; E203-F248 HydrophobicContact CB-CD2 3.98Å; E203-F248 HydrophobicContact CB-CE2 3.81Å; E203-F248 HydrophobicContact CG-CD2 3.98Å; E203-F248 HydrophobicContact CG-CE2 4.08Å; E203-R251 HydrophobicContact CG-CB 4.39Å; E203-R251 HydrophobicContact CG-CG 4.01Å; E203-R251 IonicContact OE1-NE 3.91Å; E203-R251 PolarHBondContact OE1-NE 3.42Å
204	R	95.2	Very high	95.4	Very high	29 Å²	29	52.4 Å²	52.4	11%	0.109	24%	0.239	C	C	.	.	H	α-helix	trans	-64.3	-35	174.7	-167.7	179.2	172.8	-151.6	0.7	112.7	M178 L200 F201 K206 M207 F208	M178-R204 HydrophobicContact CG-CG 4.34Å; L200-R204 WeakPolarHBondContact O-CB 3.46Å; L200-R204 PolarHBondContact O-N 3.04Å; F201-R204 PolarHBondContact O-N 2.98Å; R204-K206 VanDerWaalsContact C-N 3.33Å; R204-M207 HydrophobicContact CB-CE 4.32Å; R204-M207 WeakPolarHBondContact O-CB 3.49Å; R204-M207 PolarHBondContact O-N 3.14Å; R204-F208 HydrophobicContact CG-CD2 4.46Å; R204-F208 HydrophobicContact CG-CE2 3.95Å; R204-F208 HydrophobicContact CG-CZ 4.12Å; R204-F208 WeakPolarHBondContact O-CD2 3.37Å; R204-F208 PolarHBondContact O-N 3.43Å
205	E	96.1	Very high	95.3	Very high	82 Å²	82	49 Å²	49	38%	0.383	22%	0.224	S	C	.	.	H	α-helix	trans	-62.7	-40.4	174.8	-176.3	64.3	-174	0	0	111.9	F201 E202 E203 M207 F208 E209 R218	F201-E205 WeakPolarHBondContact O-CB 2.98Å; F201-E205 PolarHBondContact O-N 3.15Å; E202-E205 WeakPolarHBondContact O-CB 3.35Å; E202-E205 PolarHBondContact O-N 2.94Å; E203-E205 VanDerWaalsContact C-N 3.31Å; E203-E205 PolarHBondContact O-N 3.46Å; E205-M207 VanDerWaalsContact C-N 3.3Å; E205-M207 PolarHBondContact O-N 2.79Å; E205-F208 PolarHBondContact O-N 2.85Å; E205-F208 VanDerWaalsContact O-N 3.16Å; E205-E209 PolarHBondContact O-N 3.41Å; E205-R218 IonicContact OE1-CZ 3.11Å; E205-R218 IonicContact OE1-NH1 3.5Å; E205-R218 PolarHBondContact OE1-NH1 3.22Å; E205-R218 IonicContact OE1-NH2 3.2Å; E205-R218 PolarHBondContact OE1-NH2 3.1Å; E205-R218 IonicContact OE2-CZ 3.58Å; E205-R218 IonicContact OE2-NH2 3.64Å; E205-R218 PolarHBondContact OE2-NH2 2.56Å
206	K	95.9	Very high	95.3	Very high	68 Å²	68	48.8 Å²	48.8	30%	0.296	24%	0.236	S	C	.	.	H	α-helix	trans	-62.6	-38.2	174.2	-60.1	171.9	-163.4	160.5	0	111.5	E202 E203 R204 E209 F210 F244	E202-K206 PolarHBondContact O-N 3.48Å; E202-K206 IonicContact OE1-NZ 3.01Å; E202-K206 PolarHBondContact OE1-NZ 3.11Å; E203-K206 WeakPolarHBondContact O-CB 3.5Å; E203-K206 PolarHBondContact O-N 2.8Å; E203-K206 IonicContact OE1-NZ 2.64Å; E203-K206 PolarHBondContact OE1-NZ 3.37Å; E203-K206 WeakPolarHBondContact OE2-CD 3.5Å; E203-K206 IonicContact OE2-NZ 3.75Å; E203-K206 PolarHBondContact OE2-NZ 3.02Å; R204-K206 VanDerWaalsContact C-N 3.33Å; K206-E209 WeakPolarHBondContact O-CB 3.44Å; K206-E209 PolarHBondContact O-N 3.35Å; K206-F210 PolarHBondContact O-N 3.18Å; K206-F244 HydrophobicContact CB-CD2 4.32Å; K206-F244 HydrophobicContact CB-CE2 4.41Å; K206-F244 HydrophobicContact CD-CD2 4.39Å
207	M	95.8	Very high	95.3	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-66.1	-36.2	174.6	-67.1	-175.7	-88.2	0	0	112.4	I174 I177 M178 E203 R204 E205 E209 F210 Y211 F244	I174-M207 HydrophobicContact CG2-CB 4.14Å; I174-M207 HydrophobicContact CG2-CG 4.19Å; I174-M207 HydrophobicContact CG2-SD 4.14Å; I177-M207 HydrophobicContact CB-SD 4.16Å; I177-M207 HydrophobicContact CG2-CE 3.89Å; I177-M207 HydrophobicContact CG2-SD 3.85Å; M178-M207 HydrophobicContact CG-CB 3.75Å; M178-M207 HydrophobicContact CG-CE 3.8Å; M178-M207 HydrophobicContact CG-CG 4.21Å; M178-M207 HydrophobicContact CG-SD 3.45Å; M178-M207 WeakPolarHBondContact CG-SD 3.04Å; M178-M207 HydrophobicContact SD-CB 3.74Å; E203-M207 PolarHBondContact O-N 3.48Å; R204-M207 HydrophobicContact CB-CE 4.32Å; R204-M207 WeakPolarHBondContact O-CB 3.49Å; R204-M207 PolarHBondContact O-N 3.14Å; E205-M207 VanDerWaalsContact C-N 3.3Å; E205-M207 PolarHBondContact O-N 2.79Å; M207-E209 VanDerWaalsContact C-N 3.32Å; M207-E209 PolarHBondContact O-N 3.33Å; M207-F210 WeakPolarHBondContact O-CB 3.31Å; M207-F210 PolarHBondContact O-N 3.45Å; M207-Y211 WeakPolarHBondContact O-CD1 3.46Å; M207-Y211 PolarHBondContact O-N 3.15Å; M207-F244 HydrophobicContact CE-CZ 4.1Å; M207-F244 HydrophobicContact CG-CE1 4.13Å; M207-F244 HydrophobicContact CG-CE2 4.21Å; M207-F244 HydrophobicContact CG-CZ 3.72Å; M207-F244 HydrophobicContact SD-CE1 4.2Å; M207-F244 HydrophobicContact SD-CZ 3.86Å
208	F	96.3	Very high	95.2	Very high	21 Å²	21	54.6 Å²	54.6	9%	0.092	26%	0.263	C	S	.	.	H	α-helix	trans	-67.3	-30.7	172.6	-69	-38.5	0	0	0	113.3	M178 R204 E205 F210 Y211 E212 R218 M219	M178-F208 HydrophobicContact SD-CD1 3.9Å; M178-F208 HydrophobicContact SD-CE1 3.75Å; R204-F208 HydrophobicContact CG-CD2 4.46Å; R204-F208 HydrophobicContact CG-CE2 3.95Å; R204-F208 HydrophobicContact CG-CZ 4.12Å; R204-F208 WeakPolarHBondContact O-CD2 3.37Å; R204-F208 PolarHBondContact O-N 3.43Å; E205-F208 PolarHBondContact O-N 2.85Å; E205-F208 VanDerWaalsContact O-N 3.16Å; F208-F210 VanDerWaalsContact C-N 3.3Å; F208-F210 PolarHBondContact O-N 2.87Å; F208-Y211 WeakPolarHBondContact O-CB 3.22Å; F208-Y211 PolarHBondContact O-N 3.09Å; F208-Y211 VanDerWaalsContact O-N 3.13Å; F208-E212 PolarHBondContact O-N 3.48Å; F208-R218 HydrophobicContact CB-CB 4.44Å; F208-R218 WeakPolarHBondContact CD1-O 3.24Å; F208-M219 HydrophobicContact CD1-CG 4.01Å; F208-M219 HydrophobicContact CE1-CG 3.53Å; F208-M219 HydrophobicContact CE1-SD 4.03Å; F208-M219 HydrophobicContact CE2-SD 4.41Å; F208-M219 HydrophobicContact CZ-CG 3.81Å; F208-M219 HydrophobicContact CZ-SD 3.71Å
209	E	96.5	Very high	95	Very high	99 Å²	99	52 Å²	52	46%	0.463	25%	0.254	S	S	.	.	H	α-helix	trans	-61.7	-39.7	171.5	-166.3	-171.6	152.7	0	0	111.2	E205 K206 M207 Y211 E212 R213	E205-E209 PolarHBondContact O-N 3.41Å; K206-E209 WeakPolarHBondContact O-CB 3.44Å; K206-E209 PolarHBondContact O-N 3.35Å; M207-E209 VanDerWaalsContact C-N 3.32Å; M207-E209 PolarHBondContact O-N 3.33Å; E209-Y211 PolarHBondContact O-N 3.13Å; E209-E212 PolarHBondContact O-N 3.4Å; E209-R213 WeakPolarHBondContact O-CB 3.44Å; E209-R213 VanDerWaalsContact O-CG 3.29Å; E209-R213 WeakPolarHBondContact O-CG 3.3Å; E209-R213 PolarHBondContact O-N 3.01Å
210	F	96	Very high	94.9	Very high	10 Å²	10	51 Å²	51	4%	0.044	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-36.8	173.6	-57.4	-34.5	0	0	0	111.9	I174 K206 M207 F208 V214 L237 D240 I241 F244	I174-F210 HydrophobicContact CD1-CD2 4.49Å; K206-F210 PolarHBondContact O-N 3.18Å; M207-F210 WeakPolarHBondContact O-CB 3.31Å; M207-F210 PolarHBondContact O-N 3.45Å; F208-F210 VanDerWaalsContact C-N 3.3Å; F208-F210 PolarHBondContact O-N 2.87Å; F210-V214 WeakPolarHBondContact O-CG2 3.39Å; F210-V214 PolarHBondContact O-N 3.26Å; F210-L237 HydrophobicContact CD1-CD1 3.93Å; F210-D240 HydrophobicContact CE1-CB 4.04Å; F210-I241 HydrophobicContact CD1-CG1 4.1Å; F210-I241 HydrophobicContact CD2-CG1 4.06Å; F210-I241 HydrophobicContact CE1-CG1 4.06Å; F210-I241 HydrophobicContact CE2-CG1 4.02Å; F210-I241 HydrophobicContact CG-CG1 4.11Å; F210-I241 HydrophobicContact CZ-CG1 4.01Å; F210-F244 HydrophobicContact CE2-CB 4.01Å; F210-F244 HydrophobicContact CE2-CD1 4.23Å; F210-F244 HydrophobicContact CE2-CD2 4.5Å; F210-F244 AromaticContact CE2-CG 3.99Å; F210-F244 HydrophobicContact CE2-CG 3.99Å; F210-F244 HydrophobicContact CZ-CB 3.83Å; F210-F244 HydrophobicContact CZ-CG 4.27Å
211	Y	95.4	Very high	94.7	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-70.4	-43.1	179.2	-77.9	21.9	0	0	0	111.3	M141 M142 Y171 I174 T175 M178 M207 F208 E209 R213 V214 S215 A217	M141-Y211 HydrophobicContact CE-CE2 4.45Å; M141-Y211 HydrophobicContact CG-CE2 4.26Å; M141-Y211 HydrophobicContact SD-CD2 3.96Å; M141-Y211 HydrophobicContact SD-CE2 3.3Å; M141-Y211 WeakPolarHBondContact SD-CE2 3.43Å; M142-Y211 HydrophobicContact CE-CD2 4.41Å; M142-Y211 HydrophobicContact CE-CE2 4.28Å; M142-Y211 HydrophobicContact CG-CE2 4.37Å; Y171-Y211 HydrophobicContact CD1-CD1 4.06Å; Y171-Y211 AromaticContact CD1-CE1 3.55Å; Y171-Y211 HydrophobicContact CD1-CE1 3.55Å; Y171-Y211 AromaticContact CE1-CD1 3.85Å; Y171-Y211 HydrophobicContact CE1-CD1 3.85Å; Y171-Y211 AromaticContact CE1-CE1 3.78Å; Y171-Y211 HydrophobicContact CE1-CE1 3.78Å; I174-Y211 HydrophobicContact CB-CE1 4.45Å; I174-Y211 HydrophobicContact CG2-CE1 3.75Å; T175-Y211 HydrophobicContact CG2-CE2 4.42Å; T175-Y211 WeakPolarHBondContact CG2-OH 3.17Å; M178-Y211 HydrophobicContact CE-CD2 4.33Å; M178-Y211 HydrophobicContact CE-CE1 4.16Å; M178-Y211 HydrophobicContact CE-CE2 3.36Å; M178-Y211 WeakPolarHBondContact CE-OH 3.34Å; M178-Y211 HydrophobicContact SD-CE2 4.37Å; M207-Y211 WeakPolarHBondContact O-CD1 3.46Å; M207-Y211 PolarHBondContact O-N 3.15Å; F208-Y211 WeakPolarHBondContact O-CB 3.22Å; F208-Y211 PolarHBondContact O-N 3.09Å; F208-Y211 VanDerWaalsContact O-N 3.13Å; E209-Y211 PolarHBondContact O-N 3.13Å; Y211-R213 VanDerWaalsContact C-N 3.34Å; Y211-R213 PolarHBondContact O-N 2.74Å; Y211-V214 PolarHBondContact O-N 2.98Å; Y211-S215 WeakPolarHBondContact O-CB 3.29Å; Y211-S215 PolarHBondContact O-N 3.06Å; Y211-S215 PolarHBondContact O-OG 2.62Å; Y211-A217 CarbonylContact C-O 3.05Å; Y211-A217 VanDerWaalsContact C-O 3.25Å
212	E	96	Very high	94.6	Very high	87 Å²	87	49 Å²	49	41%	0.407	25%	0.251	S	S	.	.	H	α-helix	trans	-61.3	-43.7	176.5	-174.9	174.1	176	0	0	111	F208 E209 V214 G216 A217 R218	F208-E212 PolarHBondContact O-N 3.48Å; E209-E212 PolarHBondContact O-N 3.4Å; E212-V214 VanDerWaalsContact C-N 3.27Å; E212-V214 PolarHBondContact O-N 3.12Å; E212-G216 WeakPolarHBondContact O-CA 3.32Å; E212-G216 PolarHBondContact O-N 2.82Å; E212-A217 WeakPolarHBondContact CA-O 3.42Å; E212-A217 PolarHBondContact N-O 3.16Å; E212-R218 HydrophobicContact CB-CG 4.03Å; E212-R218 HydrophobicContact CG-CG 4.26Å; E212-R218 VanDerWaalsContact OE2-CG 3.22Å; E212-R218 WeakPolarHBondContact OE2-CG 3.49Å
213	R	95.5	Very high	94.6	Very high	90 Å²	90	44.6 Å²	44.6	34%	0.34	23%	0.23	S	C	.	.	H	α-helix	trans	-65.1	-29.6	179.7	-73.9	175.2	66.3	174.3	-6.1	113.7	E209 Y211 L237 D240	E209-R213 WeakPolarHBondContact O-CB 3.44Å; E209-R213 VanDerWaalsContact O-CG 3.29Å; E209-R213 WeakPolarHBondContact O-CG 3.3Å; E209-R213 PolarHBondContact O-N 3.01Å; Y211-R213 VanDerWaalsContact C-N 3.34Å; Y211-R213 PolarHBondContact O-N 2.74Å; R213-L237 HydrophobicContact CB-CD1 4.02Å; R213-D240 IonicContact CZ-OD2 3.9Å; R213-D240 IonicContact NH1-OD2 2.95Å; R213-D240 PolarHBondContact NH1-OD2 2.81Å; R213-D240 IonicContact NH2-OD2 3.95Å; R213-D240 PolarHBondContact NH2-OD2 3.37Å
214	V	94.4	Very high	94.6	Very high	6 Å²	6	44.4 Å²	44.4	4%	0.036	23%	0.23	C	C	.	.	H	α-helix	trans	-92.7	-36.8	-177.2	169.1	0	0	0	0	113.5	Y171 F210 Y211 E212 Y223 L237	Y171-V214 HydrophobicContact CE2-CG1 4.47Å; Y171-V214 WeakPolarHBondContact OH-CG2 3.42Å; F210-V214 WeakPolarHBondContact O-CG2 3.39Å; F210-V214 PolarHBondContact O-N 3.26Å; Y211-V214 PolarHBondContact O-N 2.98Å; E212-V214 VanDerWaalsContact C-N 3.27Å; E212-V214 PolarHBondContact O-N 3.12Å; V214-Y223 HydrophobicContact CG1-CD1 3.9Å; V214-Y223 HydrophobicContact CG1-CD2 3.59Å; V214-Y223 HydrophobicContact CG1-CE1 3.45Å; V214-Y223 VanDerWaalsContact CG1-CE1 3.45Å; V214-Y223 HydrophobicContact CG1-CE2 3.13Å; V214-Y223 HydrophobicContact CG1-CG 3.95Å; V214-Y223 WeakPolarHBondContact CG1-OH 3.49Å; V214-L237 HydrophobicContact CG2-CD2 3.26Å
215	S	91.9	Very high	94.5	Very high	33 Å²	33	46.7 Å²	46.7	23%	0.231	24%	0.238	C	C	.	.	H	α-helix	trans	-110.8	-22.8	-174.8	70	0	0	0	0	114.2	Y211 A217 A221	Y211-S215 WeakPolarHBondContact O-CB 3.29Å; Y211-S215 PolarHBondContact O-N 3.06Å; Y211-S215 PolarHBondContact O-OG 2.62Å; S215-A217 VanDerWaalsContact C-N 3.33Å; S215-A217 PolarHBondContact OG-N 2.8Å; S215-A217 PolarHBondContact OG-O 3.34Å; S215-A217 VanDerWaalsContact OG-O 3.05Å; S215-A221 VanDerWaalsContact CB-CB 3.49Å; S215-A221 WeakPolarHBondContact OG-CB 2.9Å
216	G	93.4	Very high	94.4	Very high	63 Å²	63	43.4 Å²	43.4	65%	0.649	22%	0.224	S	C	*	.	S	Bend	trans	86.3	-1.8	-167.1	0	0	0	0	0	114.1	E212	E212-G216 WeakPolarHBondContact O-CA 3.32Å; E212-G216 PolarHBondContact O-N 2.82Å
217	A	94.5	Very high	94	Very high	32 Å²	32	40.2 Å²	40.2	26%	0.264	21%	0.211	S	C	.	.			trans	-124	137.8	178	0	0	0	0	0	111.1	Y211 E212 S215	Y211-A217 CarbonylContact C-O 3.05Å; Y211-A217 VanDerWaalsContact C-O 3.25Å; E212-A217 WeakPolarHBondContact CA-O 3.42Å; E212-A217 PolarHBondContact N-O 3.16Å; S215-A217 VanDerWaalsContact C-N 3.33Å; S215-A217 PolarHBondContact OG-N 2.8Å; S215-A217 PolarHBondContact OG-O 3.34Å; S215-A217 VanDerWaalsContact OG-O 3.05Å
218	R	93.1	Very high	93.9	Very high	111 Å²	111	40.2 Å²	40.2	42%	0.419	21%	0.21	S	C	.	.	S	Bend	trans	-69.4	-37	178.7	-69.3	169.8	54.1	113.1	1.2	112.5	E205 F208 E212	E205-R218 IonicContact OE1-CZ 3.11Å; E205-R218 IonicContact OE1-NH1 3.5Å; E205-R218 PolarHBondContact OE1-NH1 3.22Å; E205-R218 IonicContact OE1-NH2 3.2Å; E205-R218 PolarHBondContact OE1-NH2 3.1Å; E205-R218 IonicContact OE2-CZ 3.58Å; E205-R218 IonicContact OE2-NH2 3.64Å; E205-R218 PolarHBondContact OE2-NH2 2.56Å; F208-R218 HydrophobicContact CB-CB 4.44Å; F208-R218 WeakPolarHBondContact CD1-O 3.24Å; E212-R218 HydrophobicContact CB-CG 4.03Å; E212-R218 HydrophobicContact CG-CG 4.26Å; E212-R218 VanDerWaalsContact OE2-CG 3.22Å; E212-R218 WeakPolarHBondContact OE2-CG 3.49Å
219	M	90.1	Very high	93.8	Very high	86 Å²	86	39.2 Å²	39.2	42%	0.424	21%	0.206	S	C	.	.	S	Bend	trans	-136.8	158.6	173.2	-65.1	-172.2	-66.5	0	0	108.4	F208	F208-M219 HydrophobicContact CD1-CG 4.01Å; F208-M219 HydrophobicContact CE1-CG 3.53Å; F208-M219 HydrophobicContact CE1-SD 4.03Å; F208-M219 HydrophobicContact CE2-SD 4.41Å; F208-M219 HydrophobicContact CZ-CG 3.81Å; F208-M219 HydrophobicContact CZ-SD 3.71Å
220	H	93.8	Very high	93.6	Very high	76 Å²	76	38.8 Å²	38.8	35%	0.352	20%	0.201	S	C	.	.			trans	56.6	69.1	-178.1	-47.5	-57.5	0	0	0	112.3	D134	D134-H220 HydrophobicContact CB-CB 4.03Å; D134-H220 PolarHBondContact O-CE1 3.04Å; D134-H220 PolarHBondContact O-ND1 3.41Å
221	A	91.3	Very high	93.4	Very high	13 Å²	13	42.3 Å²	42.3	11%	0.107	22%	0.22	C	C	.	.			trans	-82.2	-26.3	-168.2	0	0	0	0	0	113	M141 M142 S215 Y223	M141-A221 HydrophobicContact CE-CB 3.32Å; M142-A221 HydrophobicContact CE-CB 3.41Å; M142-A221 VanDerWaalsContact CE-CB 3.41Å; M142-A221 HydrophobicContact SD-CB 4.38Å; S215-A221 VanDerWaalsContact CB-CB 3.49Å; S215-A221 WeakPolarHBondContact OG-CB 2.9Å; A221-Y223 PolarHBondContact O-N 2.86Å
222	A	93.6	Very high	93.3	Very high	23 Å²	23	45.9 Å²	45.9	19%	0.19	24%	0.239	C	C	.	.			trans	46.4	41	-170.5	0	0	0	0	0	112.5	L130 D134 E145 R225	L130-A222 HydrophobicContact CD2-CB 3.89Å; D134-A222 PolarHBondContact OD2-N 2.77Å; E145-A222 WeakPolarHBondContact OE1-CA 3.4Å; E145-A222 PolarHBondContact OE1-N 3.37Å; A222-R225 PolarHBondContact O-NE 3.18Å
223	Y	95.7	Very high	93.1	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	22%	0.223	C	C	.	.			trans	-91.5	-46.1	-167.8	179.2	-116.8	0	0	0	112	M142 E145 I167 Y171 V214 A221 V229 Y230 L231	M142-Y223 HydrophobicContact CE-CD1 4.19Å; M142-Y223 HydrophobicContact CE-CG 4.36Å; M142-Y223 HydrophobicContact SD-CD1 4.46Å; E145-Y223 PolarHBondContact OE1-N 2.7Å; E145-Y223 PolarHBondContact OE2-N 2.85Å; I167-Y223 HydrophobicContact CG2-CE1 3.74Å; Y171-Y223 HydrophobicContact CD2-CE1 4.13Å; Y171-Y223 HydrophobicContact CE2-CE1 4.14Å; V214-Y223 HydrophobicContact CG1-CD1 3.9Å; V214-Y223 HydrophobicContact CG1-CD2 3.59Å; V214-Y223 HydrophobicContact CG1-CE1 3.45Å; V214-Y223 VanDerWaalsContact CG1-CE1 3.45Å; V214-Y223 HydrophobicContact CG1-CE2 3.13Å; V214-Y223 HydrophobicContact CG1-CG 3.95Å; V214-Y223 WeakPolarHBondContact CG1-OH 3.49Å; A221-Y223 PolarHBondContact O-N 2.86Å; Y223-V229 HydrophobicContact CD1-CG1 3.74Å; Y223-V229 HydrophobicContact CD2-CG1 3.89Å; Y223-V229 HydrophobicContact CE1-CG1 3.2Å; Y223-V229 HydrophobicContact CE2-CG1 3.35Å; Y223-V229 HydrophobicContact CG-CG1 4.07Å; Y223-V229 WeakPolarHBondContact OH-CG1 3.45Å; Y223-Y230 PolarHBondContact O-N 3.49Å; Y223-L231 HydrophobicContact CE2-CB 4.36Å; Y223-L231 WeakPolarHBondContact CE2-O 3.1Å; Y223-L231 PolarHBondContact OH-O 2.78Å
224	I	95.5	Very high	93.1	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	126.3	170.6	-60.3	176.2	0	0	0	106.9	L130 M142 E145 Q146 S149 R168	L130-I224 VanDerWaalsContact CD1-O 3.27Å; L130-I224 WeakPolarHBondContact CD1-O 3.4Å; M142-I224 HydrophobicContact CB-CD1 3.86Å; M142-I224 HydrophobicContact CG-CD1 4.45Å; M142-I224 HydrophobicContact SD-CD1 4.18Å; M142-I224 HydrophobicContact SD-CG1 4.1Å; E145-I224 HydrophobicContact CB-CB 3.86Å; E145-I224 HydrophobicContact CB-CG2 4.41Å; E145-I224 WeakPolarHBondContact OE2-CA 3.47Å; E145-I224 WeakPolarHBondContact OE2-CB 3.4Å; E145-I224 PolarHBondContact OE2-N 2.96Å; Q146-I224 HydrophobicContact CB-CD1 4Å; Q146-I224 HydrophobicContact CB-CG2 4.45Å; S149-I224 WeakPolarHBondContact OG-CG2 3.45Å; R168-I224 HydrophobicContact CB-CD1 4.44Å; R168-I224 HydrophobicContact CG-CD1 4.07Å; R168-I224 HydrophobicContact CG-CG1 4.13Å; R168-I224 HydrophobicContact CG-CG2 4.15Å
225	R	94.3	Very high	93	Very high	77 Å²	77	48.7 Å²	48.7	29%	0.291	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153.6	-178.3	-63	-166.3	179.8	177.9	5.7	110.3	L130 R168 A222 G227 G228 Y230	L130-R225 HydrophobicContact CD1-CB 4.28Å; L130-R225 HydrophobicContact CD1-CG 4.06Å; R168-R225 PolarHBondContact NH2-O 2.7Å; A222-R225 PolarHBondContact O-NE 3.18Å; R225-G227 PolarHBondContact O-N 3.29Å; R225-G227 VanDerWaalsContact O-N 3.15Å; R225-G228 PolarHBondContact N-O 3.26Å; R225-G228 VanDerWaalsContact N-O 3.08Å; R225-G228 CarbonylContact O-C 3.58Å; R225-G228 PolarHBondContact O-N 2.9Å; R225-Y230 VanDerWaalsContact CZ-CG 3.45Å
226	P	92.7	Very high	93.1	Very high	12 Å²	12	48.7 Å²	48.7	8%	0.078	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	122.9	164.6	-25.9	33.5	0	0	0	110	Y148 V152 Y386	Y148-P226 HydrophobicContact CD1-CG 4.42Å; Y148-P226 HydrophobicContact CE1-CG 4.19Å; V152-P226 HydrophobicContact CB-CB 4.12Å; V152-P226 HydrophobicContact CB-CG 4.18Å; V152-P226 HydrophobicContact CG1-CB 3.81Å; V152-P226 HydrophobicContact CG1-CG 4.16Å; V152-P226 HydrophobicContact CG2-CG 4.37Å; P226-Y386 WeakPolarHBondContact CB-OH 3.29Å; P226-Y386 WeakPolarHBondContact CG-OH 3.36Å
227	G	88.8	Confident	93.1	Very high	2 Å²	2	45.7 Å²	45.7	2%	0.021	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.3	12.8	-175	0	0	0	0	0	115.3	E153 R225 K354 V355	E153-G227 PolarHBondContact OE1-N 2.76Å; R225-G227 PolarHBondContact O-N 3.29Å; R225-G227 VanDerWaalsContact O-N 3.15Å; G227-K354 WeakPolarHBondContact O-CA 3.36Å; G227-V355 WeakPolarHBondContact O-CG2 3.24Å; G227-V355 PolarHBondContact O-N 3.26Å
228	G	92.2	Very high	93.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	125.2	-118.8	173.2	0	0	0	0	0	113.2	E153 R168 R225	E153-G228 PolarHBondContact OE1-N 3Å; R168-G228 PolarHBondContact NE-O 3.13Å; R168-G228 VanDerWaalsContact NH2-N 3.1Å; R168-G228 PolarHBondContact NH2-O 3.21Å; R225-G228 PolarHBondContact N-O 3.26Å; R225-G228 VanDerWaalsContact N-O 3.08Å; R225-G228 CarbonylContact O-C 3.58Å; R225-G228 PolarHBondContact O-N 2.9Å
229	V	94	Very high	93.2	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	151.4	-174.1	172.4	0	0	0	0	110.4	A164 I167 R168 Y223 L231 I353 K354	A164-V229 HydrophobicContact CB-CG2 4.21Å; I167-V229 HydrophobicContact CG2-CG1 4.38Å; I167-V229 HydrophobicContact CG2-CG2 4.23Å; R168-V229 HydrophobicContact CG-CG2 4.02Å; Y223-V229 HydrophobicContact CD1-CG1 3.74Å; Y223-V229 HydrophobicContact CD2-CG1 3.89Å; Y223-V229 HydrophobicContact CE1-CG1 3.2Å; Y223-V229 HydrophobicContact CE2-CG1 3.35Å; Y223-V229 HydrophobicContact CG-CG1 4.07Å; Y223-V229 WeakPolarHBondContact OH-CG1 3.45Å; V229-L231 WeakPolarHBondContact CG1-O 3.48Å; V229-I353 HydrophobicContact CB-CG2 3.54Å; V229-I353 HydrophobicContact CG1-CG2 4.03Å; V229-I353 PolarHBondContact N-O 2.8Å; V229-K354 WeakPolarHBondContact O-CE 3.34Å; V229-K354 VanDerWaalsContact O-CG 3.23Å; V229-K354 WeakPolarHBondContact O-CG 3.47Å
230	Y	93.1	Very high	93.5	Very high	89 Å²	89	44.7 Å²	44.7	35%	0.349	24%	0.239	S	C	.	.	S	Bend	trans	-70	-47.6	-171.6	178.7	-130.9	0	0	0	114.8	Y223 R225 K354	Y223-Y230 PolarHBondContact O-N 3.49Å; R225-Y230 VanDerWaalsContact CZ-CG 3.45Å; Y230-K354 WeakPolarHBondContact O-CE 3.36Å; Y230-K354 PolarHBondContact O-NZ 3.31Å
231	L	92.3	Very high	93.6	Very high	85 Å²	85	41 Å²	41	45%	0.445	22%	0.222	S	C	.	.	S	Bend	trans	-133.2	163.5	-178.5	-68.7	172.4	0	0	0	109.5	Y223 V229	Y223-L231 HydrophobicContact CE2-CB 4.36Å; Y223-L231 WeakPolarHBondContact CE2-O 3.1Å; Y223-L231 PolarHBondContact OH-O 2.78Å; V229-L231 WeakPolarHBondContact CG1-O 3.48Å
232	D	93.3	Very high	93.9	Very high	75 Å²	75	45.1 Å²	45.1	40%	0.401	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-76.5	158.5	167.3	-156.4	-2.3	0	0	0	110.7	R163 I353	R163-D232 IonicContact CZ-OD1 2.86Å; R163-D232 IonicContact CZ-OD2 2.81Å; R163-D232 IonicContact NE-OD1 3.24Å; R163-D232 PolarHBondContact NE-OD1 2.64Å; R163-D232 IonicContact NE-OD2 2.69Å; R163-D232 IonicContact NH2-OD1 3.76Å; R163-D232 PolarHBondContact NH2-OD1 3.23Å; R163-D232 IonicContact NH2-OD2 3.94Å; R163-D232 PolarHBondContact NH2-OD2 3.47Å; D232-I353 HydrophobicContact CB-CD1 3.12Å; D232-I353 WeakPolarHBondContact OD1-CD1 3.44Å; D232-I353 WeakPolarHBondContact OD2-CD1 3.39Å
233	M	92	Very high	94	Very high	14 Å²	14	48.5 Å²	48.5	7%	0.069	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-65.6	137	170.5	-61.6	-172.7	-61.5	0	0	109.9	I167 Y171 L237 M238 M348	I167-M233 HydrophobicContact CD1-CE 4.28Å; I167-M233 HydrophobicContact CD1-CG 4.32Å; I167-M233 HydrophobicContact CG1-CE 3.97Å; I167-M233 HydrophobicContact CG1-SD 4.22Å; Y171-M233 HydrophobicContact CE2-CG 4.48Å; Y171-M233 HydrophobicContact CE2-SD 4.01Å; M233-L237 HydrophobicContact CB-CD2 4.2Å; M233-L237 HydrophobicContact CG-CD2 4.34Å; M233-L237 HydrophobicContact SD-CD2 4.3Å; M233-M238 HydrophobicContact CE-CG 4.38Å; M233-M238 HydrophobicContact CE-SD 3.45Å; M233-M238 WeakPolarHBondContact CE-SD 3.12Å; M233-M238 HydrophobicContact SD-SD 4.3Å; M233-M348 HydrophobicContact CE-CE 3.87Å; M233-M348 HydrophobicContact CE-SD 3.53Å; M233-M348 VanDerWaalsContact CE-SD 3.53Å
234	P	94.6	Very high	94	Very high	51 Å²	51	49.1 Å²	49.1	33%	0.331	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-64.4	151	174.7	26.8	-32.3	0	0	0	111	L237	P234-L237 HydrophobicContact CG-CB 4.2Å; P234-L237 HydrophobicContact CG-CD2 4.5Å; P234-L237 WeakPolarHBondContact O-CB 3.4Å; P234-L237 PolarHBondContact O-N 3.49Å
235	L	93.1	Very high	94	Very high	177 Å²	177	49.6 Å²	49.6	93%	0.927	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	139.8	174.6	-60.6	175.6	0	0	0	110.2	L237	L235-L237 VanDerWaalsContact C-N 3.35Å
236	G	93	Very high	94.1	Very high	34 Å²	34	51.4 Å²	51.4	35%	0.351	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	-19.5	-178.2	0	0	0	0	0	115.2	M238 D239 D240	G236-M238 VanDerWaalsContact C-N 3.26Å; G236-M238 PolarHBondContact O-N 2.91Å; G236-D239 PolarHBondContact O-N 3.32Å; G236-D240 PolarHBondContact O-N 3.34Å
237	L	94.3	Very high	94.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-35.6	-179.4	-171.2	76.6	0	0	0	113	Y171 F210 R213 V214 M233 P234 L235 D239 D240 I241	Y171-L237 VanDerWaalsContact OH-CD2 3.3Å; Y171-L237 WeakPolarHBondContact OH-CD2 3.17Å; F210-L237 HydrophobicContact CD1-CD1 3.93Å; R213-L237 HydrophobicContact CB-CD1 4.02Å; V214-L237 HydrophobicContact CG2-CD2 3.26Å; M233-L237 HydrophobicContact CB-CD2 4.2Å; M233-L237 HydrophobicContact CG-CD2 4.34Å; M233-L237 HydrophobicContact SD-CD2 4.3Å; P234-L237 HydrophobicContact CG-CB 4.2Å; P234-L237 HydrophobicContact CG-CD2 4.5Å; P234-L237 WeakPolarHBondContact O-CB 3.4Å; P234-L237 PolarHBondContact O-N 3.49Å; L235-L237 VanDerWaalsContact C-N 3.35Å; L237-D239 VanDerWaalsContact C-N 3.28Å; L237-D239 PolarHBondContact O-N 2.91Å; L237-D240 PolarHBondContact O-N 3.13Å; L237-I241 HydrophobicContact CD2-CD1 4.03Å; L237-I241 HydrophobicContact CG-CD1 3.85Å; L237-I241 HydrophobicContact CG-CG1 4.32Å; L237-I241 VanDerWaalsContact O-CG1 3.31Å; L237-I241 WeakPolarHBondContact O-CG1 3.24Å; L237-I241 PolarHBondContact O-N 2.85Å
238	M	93.4	Very high	94.5	Very high	50 Å²	50	56.7 Å²	56.7	25%	0.246	29%	0.285	C	S	.	.	H	α-helix	trans	-60.1	-39.8	179.3	-64.9	-69.7	-76.1	0	0	112.1	M233 G236 Y242 L345 M348	M233-M238 HydrophobicContact CE-CG 4.38Å; M233-M238 HydrophobicContact CE-SD 3.45Å; M233-M238 WeakPolarHBondContact CE-SD 3.12Å; M233-M238 HydrophobicContact SD-SD 4.3Å; G236-M238 VanDerWaalsContact C-N 3.26Å; G236-M238 PolarHBondContact O-N 2.91Å; M238-Y242 WeakPolarHBondContact O-CB 3.19Å; M238-Y242 PolarHBondContact O-N 2.82Å; M238-L345 HydrophobicContact CB-CD2 4.5Å; M238-L345 HydrophobicContact CE-CB 4.16Å; M238-L345 HydrophobicContact CE-CD2 3.26Å; M238-L345 HydrophobicContact CE-CG 4.29Å; M238-L345 HydrophobicContact SD-CD2 3.48Å; M238-L345 WeakPolarHBondContact SD-CD2 3.5Å; M238-M348 HydrophobicContact CE-CB 4.44Å; M238-M348 HydrophobicContact CE-CE 3.74Å; M238-M348 HydrophobicContact CE-CG 3.8Å; M238-M348 HydrophobicContact CE-SD 3.37Å; M238-M348 WeakPolarHBondContact CE-SD 3.48Å; M238-M348 HydrophobicContact SD-CE 3.88Å; M238-M348 HydrophobicContact SD-SD 3.79Å
239	D	96	Very high	94.7	Very high	107 Å²	107	58.8 Å²	58.8	57%	0.572	30%	0.299	S	S	*	.	H	α-helix	trans	-70.4	-38.2	-180	-59.2	-29.2	0	0	0	110.7	G236 L237 Y242 Q243	G236-D239 PolarHBondContact O-N 3.32Å; L237-D239 VanDerWaalsContact C-N 3.28Å; L237-D239 PolarHBondContact O-N 2.91Å; D239-Y242 WeakPolarHBondContact O-CB 3.48Å; D239-Y242 PolarHBondContact O-N 2.91Å; D239-Q243 WeakPolarHBondContact O-CG 3.23Å; D239-Q243 PolarHBondContact O-N 3.3Å
240	D	96.2	Very high	94.8	Very high	50 Å²	50	64.8 Å²	64.8	27%	0.267	33%	0.327	S	S	.	.	H	α-helix	trans	-68.8	-40.9	178.3	-60.9	-35	0	0	0	111.7	F210 R213 G236 L237 Y242 Q243 F244	F210-D240 HydrophobicContact CE1-CB 4.04Å; R213-D240 IonicContact CZ-OD2 3.9Å; R213-D240 IonicContact NH1-OD2 2.95Å; R213-D240 PolarHBondContact NH1-OD2 2.81Å; R213-D240 IonicContact NH2-OD2 3.95Å; R213-D240 PolarHBondContact NH2-OD2 3.37Å; G236-D240 PolarHBondContact O-N 3.34Å; L237-D240 PolarHBondContact O-N 3.13Å; D240-Y242 VanDerWaalsContact C-N 3.31Å; D240-Y242 PolarHBondContact O-N 3.21Å; D240-Q243 PolarHBondContact O-N 2.86Å; D240-F244 PolarHBondContact O-N 2.91Å
241	I	96.3	Very high	94.9	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.8	-41.7	172.9	-66.4	167.7	0	0	0	110	L170 F210 L237 Q243 F244 I245 M341 L345	L170-I241 HydrophobicContact CD2-CD1 4.26Å; F210-I241 HydrophobicContact CD1-CG1 4.1Å; F210-I241 HydrophobicContact CD2-CG1 4.06Å; F210-I241 HydrophobicContact CE1-CG1 4.06Å; F210-I241 HydrophobicContact CE2-CG1 4.02Å; F210-I241 HydrophobicContact CG-CG1 4.11Å; F210-I241 HydrophobicContact CZ-CG1 4.01Å; L237-I241 HydrophobicContact CD2-CD1 4.03Å; L237-I241 HydrophobicContact CG-CD1 3.85Å; L237-I241 HydrophobicContact CG-CG1 4.32Å; L237-I241 VanDerWaalsContact O-CG1 3.31Å; L237-I241 WeakPolarHBondContact O-CG1 3.24Å; L237-I241 PolarHBondContact O-N 2.85Å; I241-Q243 PolarHBondContact O-N 3.26Å; I241-F244 WeakPolarHBondContact O-CB 3.47Å; I241-F244 PolarHBondContact O-N 3.33Å; I241-I245 HydrophobicContact CG2-CD1 3.96Å; I241-I245 HydrophobicContact CG2-CG1 4.38Å; I241-I245 VanDerWaalsContact O-CG1 3.32Å; I241-I245 WeakPolarHBondContact O-CG1 3.37Å; I241-I245 PolarHBondContact O-N 2.82Å; I241-M341 HydrophobicContact CG2-CE 3.65Å; I241-L345 HydrophobicContact CG2-CD1 4.19Å; I241-L345 HydrophobicContact CG2-CD2 4.31Å
242	Y	96.7	Very high	95	Very high	98 Å²	98	60 Å²	60	38%	0.384	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-43.6	177	-177.3	-108.8	0	0	0	112.3	M238 D239 D240 F244 I245 Q246 L345	M238-Y242 WeakPolarHBondContact O-CB 3.19Å; M238-Y242 PolarHBondContact O-N 2.82Å; D239-Y242 WeakPolarHBondContact O-CB 3.48Å; D239-Y242 PolarHBondContact O-N 2.91Å; D240-Y242 VanDerWaalsContact C-N 3.31Å; D240-Y242 PolarHBondContact O-N 3.21Å; Y242-F244 VanDerWaalsContact C-N 3.28Å; Y242-F244 PolarHBondContact O-N 2.79Å; Y242-I245 PolarHBondContact O-N 3.29Å; Y242-Q246 HydrophobicContact CE1-CG 4.27Å; Y242-Q246 WeakPolarHBondContact O-CG 3.37Å; Y242-Q246 PolarHBondContact O-N 3.36Å; Y242-Q246 VanDerWaalsContact O-N 3.08Å; Y242-Q246 PolarHBondContact OH-NE2 3.49Å; Y242-L345 HydrophobicContact CD2-CD1 4.2Å
243	Q	96.4	Very high	95.1	Very high	95 Å²	95	59.4 Å²	59.4	44%	0.444	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-35.2	174.5	-71.9	-179.8	33.2	0	0	112.8	D239 D240 I241 K247	D239-Q243 WeakPolarHBondContact O-CG 3.23Å; D239-Q243 PolarHBondContact O-N 3.3Å; D240-Q243 PolarHBondContact O-N 2.86Å; I241-Q243 PolarHBondContact O-N 3.26Å; Q243-K247 WeakPolarHBondContact O-CG 3.35Å; Q243-K247 PolarHBondContact O-N 3.34Å
244	F	96	Very high	95.2	Very high	13 Å²	13	61.8 Å²	61.8	6%	0.057	31%	0.31	C	S	.	.	H	α-helix	trans	-65.9	-48.5	173.8	172.8	-95.7	0	0	0	111.4	E203 K206 M207 F210 D240 I241 Y242 Q246 K247 F248	E203-F244 HydrophobicContact CB-CE2 4.22Å; E203-F244 WeakPolarHBondContact OE2-CE2 3.46Å; K206-F244 HydrophobicContact CB-CD2 4.32Å; K206-F244 HydrophobicContact CB-CE2 4.41Å; K206-F244 HydrophobicContact CD-CD2 4.39Å; M207-F244 HydrophobicContact CE-CZ 4.1Å; M207-F244 HydrophobicContact CG-CE1 4.13Å; M207-F244 HydrophobicContact CG-CE2 4.21Å; M207-F244 HydrophobicContact CG-CZ 3.72Å; M207-F244 HydrophobicContact SD-CE1 4.2Å; M207-F244 HydrophobicContact SD-CZ 3.86Å; F210-F244 HydrophobicContact CE2-CB 4.01Å; F210-F244 HydrophobicContact CE2-CD1 4.23Å; F210-F244 HydrophobicContact CE2-CD2 4.5Å; F210-F244 AromaticContact CE2-CG 3.99Å; F210-F244 HydrophobicContact CE2-CG 3.99Å; F210-F244 HydrophobicContact CZ-CB 3.83Å; F210-F244 HydrophobicContact CZ-CG 4.27Å; D240-F244 PolarHBondContact O-N 2.91Å; I241-F244 WeakPolarHBondContact O-CB 3.47Å; I241-F244 PolarHBondContact O-N 3.33Å; Y242-F244 VanDerWaalsContact C-N 3.28Å; Y242-F244 PolarHBondContact O-N 2.79Å; F244-Q246 PolarHBondContact O-N 3.37Å; F244-K247 PolarHBondContact O-N 2.85Å; F244-F248 HydrophobicContact CE1-CB 4.18Å; F244-F248 HydrophobicContact CE1-CD2 4.3Å; F244-F248 HydrophobicContact CE1-CG 4.16Å; F244-F248 HydrophobicContact CE2-CB 4.42Å; F244-F248 AromaticContact CE2-CD2 3.94Å; F244-F248 HydrophobicContact CE2-CD2 3.94Å; F244-F248 HydrophobicContact CE2-CG 4.44Å; F244-F248 HydrophobicContact CZ-CB 4.1Å; F244-F248 AromaticContact CZ-CD2 3.53Å; F244-F248 HydrophobicContact CZ-CD2 3.53Å; F244-F248 HydrophobicContact CZ-CE2 4.1Å; F244-F248 AromaticContact CZ-CG 3.84Å; F244-F248 HydrophobicContact CZ-CG 3.84Å; F244-F248 WeakPolarHBondContact O-CB 3.49Å; F244-F248 PolarHBondContact O-N 3.19Å
245	I	95.4	Very high	95.2	Very high	12 Å²	12	59.4 Å²	59.4	6%	0.062	30%	0.295	C	S	.	.	H	α-helix	trans	-56.9	-38.4	178.8	-66.4	165.7	0	0	0	111.4	I241 Y242 K247 P249 L338 M341 L345	I241-I245 HydrophobicContact CG2-CD1 3.96Å; I241-I245 HydrophobicContact CG2-CG1 4.38Å; I241-I245 VanDerWaalsContact O-CG1 3.32Å; I241-I245 WeakPolarHBondContact O-CG1 3.37Å; I241-I245 PolarHBondContact O-N 2.82Å; Y242-I245 PolarHBondContact O-N 3.29Å; I245-K247 VanDerWaalsContact C-N 3.35Å; I245-K247 PolarHBondContact O-N 2.84Å; I245-P249 WeakPolarHBondContact O-CD 3.4Å; I245-P249 WeakPolarHBondContact O-CG 3.49Å; I245-L338 HydrophobicContact CG1-CD2 4.37Å; I245-L338 HydrophobicContact CG2-CB 4.5Å; I245-L338 HydrophobicContact CG2-CD2 4.34Å; I245-M341 HydrophobicContact CD1-CB 3.68Å; I245-M341 HydrophobicContact CD1-CE 3.95Å; I245-M341 HydrophobicContact CG1-CB 4.31Å; I245-M341 HydrophobicContact CG1-CE 3.87Å; I245-L345 HydrophobicContact CD1-CD1 3.54Å; I245-L345 HydrophobicContact CD1-CG 4.49Å
246	Q	95.4	Very high	95.2	Very high	114 Å²	114	51.4 Å²	51.4	53%	0.533	25%	0.253	S	S	.	.	H	α-helix	trans	-67.1	-33.1	178.7	-72.4	-174.1	-18.1	0	0	113.7	Y242 F244	Y242-Q246 HydrophobicContact CE1-CG 4.27Å; Y242-Q246 WeakPolarHBondContact O-CG 3.37Å; Y242-Q246 PolarHBondContact O-N 3.36Å; Y242-Q246 VanDerWaalsContact O-N 3.08Å; Y242-Q246 PolarHBondContact OH-NE2 3.49Å; F244-Q246 PolarHBondContact O-N 3.37Å
247	K	95.5	Very high	95.3	Very high	126 Å²	126	55.4 Å²	55.4	55%	0.548	27%	0.266	S	S	.	.	H	α-helix	trans	-92.3	-33	-174	-66.9	171.4	-174.9	168.7	0	112.9	Q243 F244 I245 P249 Q250	Q243-K247 WeakPolarHBondContact O-CG 3.35Å; Q243-K247 PolarHBondContact O-N 3.34Å; F244-K247 PolarHBondContact O-N 2.85Å; I245-K247 VanDerWaalsContact C-N 3.35Å; I245-K247 PolarHBondContact O-N 2.84Å; K247-P249 VanDerWaalsContact C-CD 3.45Å; K247-Q250 WeakPolarHBondContact O-CB 2.91Å; K247-Q250 PolarHBondContact O-N 2.89Å
248	F	95.7	Very high	95.2	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-36.4	-174.1	-171.4	-106.5	0	0	0	115.1	I177 E203 F244 Q250 R251 L252 L338	I177-F248 HydrophobicContact CG2-CD1 4.47Å; I177-F248 HydrophobicContact CG2-CE1 3.53Å; I177-F248 HydrophobicContact CG2-CE2 4.28Å; I177-F248 HydrophobicContact CG2-CZ 3.42Å; I177-F248 VanDerWaalsContact CG2-CZ 3.42Å; E203-F248 HydrophobicContact CB-CD2 3.98Å; E203-F248 HydrophobicContact CB-CE2 3.81Å; E203-F248 HydrophobicContact CG-CD2 3.98Å; E203-F248 HydrophobicContact CG-CE2 4.08Å; F244-F248 HydrophobicContact CE1-CB 4.18Å; F244-F248 HydrophobicContact CE1-CD2 4.3Å; F244-F248 HydrophobicContact CE1-CG 4.16Å; F244-F248 HydrophobicContact CE2-CB 4.42Å; F244-F248 AromaticContact CE2-CD2 3.94Å; F244-F248 HydrophobicContact CE2-CD2 3.94Å; F244-F248 HydrophobicContact CE2-CG 4.44Å; F244-F248 HydrophobicContact CZ-CB 4.1Å; F244-F248 AromaticContact CZ-CD2 3.53Å; F244-F248 HydrophobicContact CZ-CD2 3.53Å; F244-F248 HydrophobicContact CZ-CE2 4.1Å; F244-F248 AromaticContact CZ-CG 3.84Å; F244-F248 HydrophobicContact CZ-CG 3.84Å; F244-F248 WeakPolarHBondContact O-CB 3.49Å; F244-F248 PolarHBondContact O-N 3.19Å; F248-Q250 VanDerWaalsContact C-N 3.26Å; F248-Q250 PolarHBondContact O-N 3.04Å; F248-R251 WeakPolarHBondContact O-CB 3.46Å; F248-R251 PolarHBondContact O-N 3.09Å; F248-L252 HydrophobicContact CD1-CD1 3.95Å; F248-L252 HydrophobicContact CD1-CG 4.02Å; F248-L252 HydrophobicContact CE1-CD1 3.64Å; F248-L252 HydrophobicContact CE1-CD2 3.74Å; F248-L252 HydrophobicContact CE1-CG 3.66Å; F248-L252 HydrophobicContact CZ-CD1 4.5Å; F248-L252 HydrophobicContact CZ-CD2 3.77Å; F248-L252 HydrophobicContact CZ-CG 4.1Å; F248-L252 PolarHBondContact O-N 3.37Å; F248-L252 VanDerWaalsContact O-N 3.1Å; F248-L338 HydrophobicContact CB-CD2 4.32Å; F248-L338 HydrophobicContact CD1-CD1 3.61Å; F248-L338 HydrophobicContact CD1-CD2 3.72Å; F248-L338 HydrophobicContact CD1-CG 4.06Å; F248-L338 HydrophobicContact CE1-CD1 4.32Å; F248-L338 HydrophobicContact CG-CD2 4.4Å
249	P	96.1	Very high	95.2	Very high	43 Å²	43	55.8 Å²	55.8	28%	0.279	27%	0.269	S	S	.	.	H	α-helix	trans	-54.9	-39.8	175.2	-27.5	33.8	0	0	0	113.4	I245 K247 R251 L252 D253 L338	I245-P249 WeakPolarHBondContact O-CD 3.4Å; I245-P249 WeakPolarHBondContact O-CG 3.49Å; K247-P249 VanDerWaalsContact C-CD 3.45Å; P249-R251 VanDerWaalsContact C-N 3.27Å; P249-R251 PolarHBondContact O-N 2.92Å; P249-L252 WeakPolarHBondContact O-CB 3.29Å; P249-L252 PolarHBondContact O-N 2.98Å; P249-L252 VanDerWaalsContact O-N 3.11Å; P249-D253 VanDerWaalsContact O-CG 3.25Å; P249-D253 PolarHBondContact O-N 3.31Å; P249-L338 HydrophobicContact CG-CD1 3.88Å
250	Q	95.7	Very high	95	Very high	128 Å²	128	53.1 Å²	53.1	60%	0.598	25%	0.253	S	S	*	.	H	α-helix	trans	-60.9	-37.9	177.5	-175.7	-179.5	-4.9	0	0	111.6	K247 F248 D253 E254	K247-Q250 WeakPolarHBondContact O-CB 2.91Å; K247-Q250 PolarHBondContact O-N 2.89Å; F248-Q250 VanDerWaalsContact C-N 3.26Å; F248-Q250 PolarHBondContact O-N 3.04Å; Q250-D253 PolarHBondContact O-N 3.48Å; Q250-E254 WeakPolarHBondContact O-CG 3.27Å; Q250-E254 PolarHBondContact O-N 3.29Å
251	R	94.6	Very high	94.7	Very high	72 Å²	72	57.1 Å²	57.1	27%	0.272	27%	0.274	S	S	.	.	H	α-helix	trans	-68.6	-37.2	175.8	-62.7	-57.9	-157.5	-179.8	4.4	112.3	E202 E203 F248 P249 D253 E254 I255	E202-R251 IonicContact OE1-NH2 2.83Å; E202-R251 IonicContact OE2-NH2 2.65Å; E203-R251 HydrophobicContact CG-CB 4.39Å; E203-R251 HydrophobicContact CG-CG 4.01Å; E203-R251 IonicContact OE1-NE 3.91Å; E203-R251 PolarHBondContact OE1-NE 3.42Å; F248-R251 WeakPolarHBondContact O-CB 3.46Å; F248-R251 PolarHBondContact O-N 3.09Å; P249-R251 VanDerWaalsContact C-N 3.27Å; P249-R251 PolarHBondContact O-N 2.92Å; R251-D253 VanDerWaalsContact C-N 3.32Å; R251-E254 WeakPolarHBondContact CD-OE2 3.41Å; R251-E254 IonicContact CZ-OE2 3.19Å; R251-E254 IonicContact NH1-OE1 3.65Å; R251-E254 IonicContact NH1-OE2 2.92Å; R251-E254 PolarHBondContact NH1-OE2 3.44Å; R251-I255 WeakPolarHBondContact O-CD1 3.22Å; R251-I255 WeakPolarHBondContact O-CG1 3.28Å; R251-I255 PolarHBondContact O-N 3.34Å
252	L	94.6	Very high	94.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.4	-39.1	173.4	-66.6	-178.4	0	0	0	111.4	F248 P249 I255 S256 M331 M334 R335 L338	F248-L252 HydrophobicContact CD1-CD1 3.95Å; F248-L252 HydrophobicContact CD1-CG 4.02Å; F248-L252 HydrophobicContact CE1-CD1 3.64Å; F248-L252 HydrophobicContact CE1-CD2 3.74Å; F248-L252 HydrophobicContact CE1-CG 3.66Å; F248-L252 HydrophobicContact CZ-CD1 4.5Å; F248-L252 HydrophobicContact CZ-CD2 3.77Å; F248-L252 HydrophobicContact CZ-CG 4.1Å; F248-L252 PolarHBondContact O-N 3.37Å; F248-L252 VanDerWaalsContact O-N 3.1Å; P249-L252 WeakPolarHBondContact O-CB 3.29Å; P249-L252 PolarHBondContact O-N 2.98Å; P249-L252 VanDerWaalsContact O-N 3.11Å; L252-I255 PolarHBondContact O-N 3.22Å; L252-S256 PolarHBondContact O-N 3.26Å; L252-S256 PolarHBondContact O-OG 3.08Å; L252-M331 HydrophobicContact CB-CE 4.43Å; L252-M331 HydrophobicContact CD2-CE 4.26Å; L252-M334 HydrophobicContact CD1-CB 3.94Å; L252-M334 HydrophobicContact CD2-CB 4.39Å; L252-M334 HydrophobicContact CD2-CE 3.63Å; L252-M334 HydrophobicContact CD2-SD 3.86Å; L252-R335 HydrophobicContact CD1-CG 4.01Å; L252-L338 HydrophobicContact CD1-CD1 4.12Å
253	D	96.1	Very high	94.5	Very high	63 Å²	63	59.1 Å²	59.1	34%	0.337	30%	0.296	S	S	.	.	H	α-helix	trans	-62.3	-45.4	176.8	-65.9	-26.3	0	0	0	111.1	P249 Q250 R251 I255 S256 D257 R335	P249-D253 VanDerWaalsContact O-CG 3.25Å; P249-D253 PolarHBondContact O-N 3.31Å; Q250-D253 PolarHBondContact O-N 3.48Å; R251-D253 VanDerWaalsContact C-N 3.32Å; D253-I255 PolarHBondContact O-N 2.64Å; D253-S256 VanDerWaalsContact CA-OG 3.23Å; D253-S256 WeakPolarHBondContact CA-OG 3.29Å; D253-S256 PolarHBondContact O-N 3.14Å; D253-S256 PolarHBondContact O-OG 2.99Å; D253-D257 WeakPolarHBondContact O-CB 3.28Å; D253-D257 PolarHBondContact O-N 3.48Å; D253-R335 IonicContact OD1-CZ 2.79Å; D253-R335 IonicContact OD1-NH1 3.2Å; D253-R335 PolarHBondContact OD1-NH1 2.82Å; D253-R335 IonicContact OD1-NH2 2.82Å; D253-R335 PolarHBondContact OD1-NH2 3.5Å
254	E	95.2	Very high	94.4	Very high	64 Å²	64	60.2 Å²	60.2	30%	0.299	30%	0.304	S	S	.	.	H	α-helix	trans	-55.7	-37.2	174.5	-73.3	169	-174.3	0	0	112.7	Q250 R251 L258	Q250-E254 WeakPolarHBondContact O-CG 3.27Å; Q250-E254 PolarHBondContact O-N 3.29Å; R251-E254 WeakPolarHBondContact CD-OE2 3.41Å; R251-E254 IonicContact CZ-OE2 3.19Å; R251-E254 IonicContact NH1-OE1 3.65Å; R251-E254 IonicContact NH1-OE2 2.92Å; R251-E254 PolarHBondContact NH1-OE2 3.44Å; E254-L258 PolarHBondContact O-N 3.25Å
255	I	94.2	Very high	94.4	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-78	-40.8	179.4	-66.2	164.5	0	0	0	111.2	V184 W199 L200 R251 L252 D253 D257 L258 L259 M331	V184-I255 HydrophobicContact CG1-CG2 4.36Å; W199-I255 HydrophobicContact CE3-CG1 4.27Å; L200-I255 HydrophobicContact CD1-CD1 3.91Å; L200-I255 HydrophobicContact CD2-CD1 3.18Å; L200-I255 HydrophobicContact CG-CD1 3.42Å; L200-I255 VanDerWaalsContact CG-CD1 3.42Å; R251-I255 WeakPolarHBondContact O-CD1 3.22Å; R251-I255 WeakPolarHBondContact O-CG1 3.28Å; R251-I255 PolarHBondContact O-N 3.34Å; L252-I255 PolarHBondContact O-N 3.22Å; D253-I255 PolarHBondContact O-N 2.64Å; I255-D257 VanDerWaalsContact C-N 3.33Å; I255-L258 PolarHBondContact O-N 3.03Å; I255-L259 HydrophobicContact CG2-CD1 3.75Å; I255-L259 PolarHBondContact O-N 3.01Å; I255-L259 VanDerWaalsContact O-N 3.13Å; I255-M331 HydrophobicContact CB-CE 4.28Å; I255-M331 HydrophobicContact CG2-CE 4.03Å; I255-M331 HydrophobicContact CG2-SD 4.41Å
256	S	92.9	Very high	94.3	Very high	8 Å²	8	61.5 Å²	61.5	6%	0.056	31%	0.31	C	S	.	.	H	α-helix	trans	-62.1	-42.6	175.6	47.3	0	0	0	0	111.7	L252 D253 L258 L259 F260	L252-S256 PolarHBondContact O-N 3.26Å; L252-S256 PolarHBondContact O-OG 3.08Å; D253-S256 VanDerWaalsContact CA-OG 3.23Å; D253-S256 WeakPolarHBondContact CA-OG 3.29Å; D253-S256 PolarHBondContact O-N 3.14Å; D253-S256 PolarHBondContact O-OG 2.99Å; S256-L258 PolarHBondContact O-N 3.45Å; S256-L259 PolarHBondContact O-N 3.36Å; S256-F260 WeakPolarHBondContact O-CB 3.47Å; S256-F260 PolarHBondContact O-N 3.35Å
257	D	94	Very high	94.3	Very high	118 Å²	118	61.4 Å²	61.4	63%	0.631	32%	0.317	S	S	*	.	H	α-helix	trans	-62.7	-34.6	179.2	-69.5	-6.1	0	0	0	111.4	D253 I255	D253-D257 WeakPolarHBondContact O-CB 3.28Å; D253-D257 PolarHBondContact O-N 3.48Å; I255-D257 VanDerWaalsContact C-N 3.33Å
258	L	93.4	Very high	94.2	Very high	55 Å²	55	58.3 Å²	58.3	29%	0.288	30%	0.303	S	S	.	.	H	α-helix	trans	-72.3	-36.3	177.7	-170.9	152.5	0	0	0	112.7	P196 W199 E254 I255 S256 N262	P196-L258 HydrophobicContact CG-CD2 4.22Å; W199-L258 HydrophobicContact CH2-CD1 3.74Å; W199-L258 HydrophobicContact CZ3-CD1 3.8Å; E254-L258 PolarHBondContact O-N 3.25Å; I255-L258 PolarHBondContact O-N 3.03Å; S256-L258 PolarHBondContact O-N 3.45Å; L258-N262 VanDerWaalsContact O-CB 3.24Å; L258-N262 WeakPolarHBondContact O-CB 3.37Å
259	L	92.9	Very high	94.1	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-105.8	-39.6	-166.8	-66.8	170.8	0	0	0	114.3	V188 I255 S256 N262 W265 F327	V188-L259 HydrophobicContact CG1-CD2 4.1Å; V188-L259 HydrophobicContact CG2-CD1 3.59Å; V188-L259 HydrophobicContact CG2-CD2 4.05Å; I255-L259 HydrophobicContact CG2-CD1 3.75Å; I255-L259 PolarHBondContact O-N 3.01Å; I255-L259 VanDerWaalsContact O-N 3.13Å; S256-L259 PolarHBondContact O-N 3.36Å; L259-N262 PolarHBondContact O-N 2.99Å; L259-W265 HydrophobicContact CB-CG 4.45Å; L259-W265 HydrophobicContact CD2-CD2 4Å; L259-W265 HydrophobicContact CD2-CE3 4.1Å; L259-W265 HydrophobicContact CD2-CG 4.21Å; L259-W265 VanDerWaalsContact O-CD1 3.23Å; L259-F327 HydrophobicContact CB-CE1 4.29Å; L259-F327 HydrophobicContact CB-CZ 4.34Å; L259-F327 HydrophobicContact CD1-CE1 4.18Å; L259-F327 HydrophobicContact CD1-CE2 4.15Å; L259-F327 HydrophobicContact CD1-CZ 3.42Å; L259-F327 VanDerWaalsContact CD1-CZ 3.42Å; L259-F327 HydrophobicContact CG-CZ 4.49Å
260	F	91.8	Very high	94	Very high	51 Å²	51	60.5 Å²	60.5	22%	0.224	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-38.9	-174.1	-68.2	-21.4	0	0	0	112.7	S256 I266 F327 I328 M331	S256-F260 WeakPolarHBondContact O-CB 3.47Å; S256-F260 PolarHBondContact O-N 3.35Å; F260-I266 WeakPolarHBondContact O-CD1 3.43Å; F260-F327 HydrophobicContact CD1-CD1 4.46Å; F260-F327 HydrophobicContact CD1-CE1 4.11Å; F260-F327 AromaticContact CE1-CD1 3.87Å; F260-F327 HydrophobicContact CE1-CD1 3.87Å; F260-F327 AromaticContact CE1-CE1 3.59Å; F260-F327 HydrophobicContact CE1-CE1 3.59Å; F260-I328 HydrophobicContact CD1-CG1 4.49Å; F260-I328 HydrophobicContact CE1-CG1 3.86Å; F260-I328 HydrophobicContact CZ-CG1 4.33Å; F260-M331 HydrophobicContact CE1-CG 4.29Å; F260-M331 HydrophobicContact CZ-CB 4.04Å; F260-M331 HydrophobicContact CZ-CG 4.01Å
261	D	90.1	Very high	93.8	Very high	134 Å²	134	59.7 Å²	59.7	72%	0.717	31%	0.308	S	S	*	.	S	Bend	trans	-89.9	-7.3	-179.6	-70.4	-20.7	0	0	0	113.2	P263	D261-P263 VanDerWaalsContact O-CD 3.31Å; D261-P263 WeakPolarHBondContact O-CD 3.19Å
262	N	94.2	Very high	93.7	Very high	51 Å²	51	56.7 Å²	56.7	27%	0.273	30%	0.297	S	S	.	.			trans	-76.1	116.7	-175.1	-175.5	-12.2	0	0	0	111.2	L258 L259 I264 W265 I266	L258-N262 VanDerWaalsContact O-CB 3.24Å; L258-N262 WeakPolarHBondContact O-CB 3.37Å; L259-N262 PolarHBondContact O-N 2.99Å; N262-I264 PolarHBondContact O-N 3.08Å; N262-I264 WeakPolarHBondContact OD1-CB 3.47Å; N262-I264 PolarHBondContact OD1-N 2.7Å; N262-W265 HydrophobicContact CB-CB 4.14Å; N262-W265 PolarHBondContact O-N 2.97Å; N262-I266 WeakPolarHBondContact O-CG1 3.42Å; N262-I266 PolarHBondContact O-N 3.19Å; N262-I266 VanDerWaalsContact O-N 3.09Å
263	P	94.9	Very high	93.5	Very high	89 Å²	89	56.7 Å²	56.7	58%	0.578	30%	0.297	S	S	*	.	H	α-helix	trans	-62.7	-31	-178.6	25.6	-34.6	0	0	0	112.4	D261 I266 T267	D261-P263 VanDerWaalsContact O-CD 3.31Å; D261-P263 WeakPolarHBondContact O-CD 3.19Å; P263-I266 PolarHBondContact O-N 3.24Å; P263-T267 WeakPolarHBondContact O-CB 3.39Å; P263-T267 PolarHBondContact O-N 2.78Å; P263-T267 PolarHBondContact O-OG1 3.35Å
264	I	94.8	Very high	93.4	Very high	118 Å²	118	58 Å²	58	61%	0.605	30%	0.303	S	S	*	.	H	α-helix	trans	-65.6	-45.6	178.9	-58.5	173.1	0	0	0	109.9	N262 T267 R268	N262-I264 PolarHBondContact O-N 3.08Å; N262-I264 WeakPolarHBondContact OD1-CB 3.47Å; N262-I264 PolarHBondContact OD1-N 2.7Å; I264-T267 PolarHBondContact O-N 2.9Å; I264-R268 HydrophobicContact CG2-CG 4.47Å; I264-R268 WeakPolarHBondContact O-CB 3.3Å; I264-R268 VanDerWaalsContact O-CG 3.24Å; I264-R268 WeakPolarHBondContact O-CG 3.42Å; I264-R268 PolarHBondContact O-N 3.43Å
265	W	94.5	Very high	93.2	Very high	12 Å²	12	55.3 Å²	55.3	5%	0.045	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-47.9	178.4	-177.4	-109	0	0	0	111.3	V188 I191 L259 N262 T267 R268 T269 Y324 F327	V188-W265 HydrophobicContact CB-CH2 4.38Å; V188-W265 HydrophobicContact CB-CZ3 4.27Å; V188-W265 HydrophobicContact CG1-CZ3 4.48Å; V188-W265 HydrophobicContact CG2-CH2 3.6Å; V188-W265 HydrophobicContact CG2-CZ2 4.23Å; V188-W265 HydrophobicContact CG2-CZ3 3.83Å; I191-W265 HydrophobicContact CB-CZ3 3.96Å; I191-W265 HydrophobicContact CD1-CE3 4.11Å; I191-W265 HydrophobicContact CD1-CH2 3.54Å; I191-W265 HydrophobicContact CD1-CZ3 3.29Å; I191-W265 HydrophobicContact CG1-CZ3 4.17Å; I191-W265 HydrophobicContact CG2-CE3 4.23Å; I191-W265 HydrophobicContact CG2-CZ3 4.07Å; L259-W265 HydrophobicContact CB-CG 4.45Å; L259-W265 HydrophobicContact CD2-CD2 4Å; L259-W265 HydrophobicContact CD2-CE3 4.1Å; L259-W265 HydrophobicContact CD2-CG 4.21Å; L259-W265 VanDerWaalsContact O-CD1 3.23Å; N262-W265 HydrophobicContact CB-CB 4.14Å; N262-W265 PolarHBondContact O-N 2.97Å; W265-T267 PolarHBondContact O-N 3.39Å; W265-R268 PolarHBondContact O-N 3.11Å; W265-T269 HydrophobicContact CD2-CG2 4.03Å; W265-T269 HydrophobicContact CE3-CG2 4.31Å; W265-T269 HydrophobicContact CH2-CG2 4.18Å; W265-T269 HydrophobicContact CZ2-CG2 3.87Å; W265-T269 HydrophobicContact CZ3-CG2 4.39Å; W265-T269 WeakPolarHBondContact O-CG2 3.2Å; W265-T269 PolarHBondContact O-N 3.06Å; W265-T269 VanDerWaalsContact O-N 3.09Å; W265-T269 PolarHBondContact O-OG1 3.27Å; W265-Y324 AromaticContact CD1-CE2 3.95Å; W265-Y324 AromaticContact NE1-CD2 3.99Å; W265-F327 HydrophobicContact CH2-CD2 4.49Å; W265-F327 HydrophobicContact CH2-CE2 4.48Å; W265-F327 HydrophobicContact CZ2-CD1 4.4Å; W265-F327 AromaticContact CZ2-CD2 3.65Å; W265-F327 HydrophobicContact CZ2-CD2 3.65Å; W265-F327 AromaticContact CZ2-CE2 3.8Å; W265-F327 HydrophobicContact CZ2-CE2 3.8Å; W265-F327 AromaticContact CZ2-CG 3.97Å; W265-F327 HydrophobicContact CZ2-CG 3.97Å; W265-F327 HydrophobicContact CZ2-CZ 4.3Å; W265-F327 AromaticContact NE1-CD1 3.92Å
266	I	94.5	Very high	93	Very high	41 Å²	41	57.8 Å²	57.8	21%	0.21	31%	0.308	C	S	.	.	H	α-helix	trans	-54.2	-52.4	175.2	-73.3	169	0	0	0	110.9	F260 N262 P263 R268 T269 K270 Y324	F260-I266 WeakPolarHBondContact O-CD1 3.43Å; N262-I266 WeakPolarHBondContact O-CG1 3.42Å; N262-I266 PolarHBondContact O-N 3.19Å; N262-I266 VanDerWaalsContact O-N 3.09Å; P263-I266 PolarHBondContact O-N 3.24Å; I266-R268 VanDerWaalsContact C-N 3.28Å; I266-R268 PolarHBondContact O-N 3.2Å; I266-T269 PolarHBondContact O-N 2.95Å; I266-K270 HydrophobicContact CG2-CD 3.57Å; I266-K270 VanDerWaalsContact CG2-CE 3.45Å; I266-K270 HydrophobicContact CG2-CG 3.99Å; I266-K270 VanDerWaalsContact O-CB 3.31Å; I266-K270 WeakPolarHBondContact O-CB 3.44Å; I266-K270 WeakPolarHBondContact O-CG 3.18Å; I266-K270 PolarHBondContact O-N 3.24Å; I266-Y324 HydrophobicContact CG1-CE2 4.29Å
267	T	94.7	Very high	93	Very high	111 Å²	111	59.2 Å²	59.2	68%	0.681	32%	0.321	S	S	*	.	H	α-helix	trans	-64.2	-29.9	-178.5	-61.6	0	0	0	0	113.2	P263 I264 W265	P263-T267 WeakPolarHBondContact O-CB 3.39Å; P263-T267 PolarHBondContact O-N 2.78Å; P263-T267 PolarHBondContact O-OG1 3.35Å; I264-T267 PolarHBondContact O-N 2.9Å; W265-T267 PolarHBondContact O-N 3.39Å
268	R	94.2	Very high	93	Very high	62 Å²	62	60.9 Å²	60.9	23%	0.234	33%	0.325	C	S	.	.	H	α-helix	trans	-83.2	-19.5	-179.8	-67.5	-64.7	-63.8	132.4	10.7	114	I191 I264 W265 I266 P442 D443	I191-R268 HydrophobicContact CG2-CB 4.05Å; I191-R268 HydrophobicContact CG2-CG 4.18Å; I264-R268 HydrophobicContact CG2-CG 4.47Å; I264-R268 WeakPolarHBondContact O-CB 3.3Å; I264-R268 VanDerWaalsContact O-CG 3.24Å; I264-R268 WeakPolarHBondContact O-CG 3.42Å; I264-R268 PolarHBondContact O-N 3.43Å; W265-R268 PolarHBondContact O-N 3.11Å; I266-R268 VanDerWaalsContact C-N 3.28Å; I266-R268 PolarHBondContact O-N 3.2Å; R268-P442 VanDerWaalsContact NH2-C 3.25Å; R268-P442 PolarHBondContact NH2-O 3.5Å; R268-D443 IonicContact CZ-OD1 3.26Å; R268-D443 IonicContact NH1-OD1 3.08Å; R268-D443 PolarHBondContact NH1-OD1 3.2Å; R268-D443 IonicContact NH2-OD1 3.55Å
269	T	93.8	Very high	93	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.012	32%	0.324	C	S	.	.	H	α-helix	trans	-119.5	-28.2	-172.3	59.1	0	0	0	0	115	I191 W265 I266 C323 Y324	I191-T269 HydrophobicContact CD1-CG2 3.85Å; W265-T269 HydrophobicContact CD2-CG2 4.03Å; W265-T269 HydrophobicContact CE3-CG2 4.31Å; W265-T269 HydrophobicContact CH2-CG2 4.18Å; W265-T269 HydrophobicContact CZ2-CG2 3.87Å; W265-T269 HydrophobicContact CZ3-CG2 4.39Å; W265-T269 WeakPolarHBondContact O-CG2 3.2Å; W265-T269 PolarHBondContact O-N 3.06Å; W265-T269 VanDerWaalsContact O-N 3.09Å; W265-T269 PolarHBondContact O-OG1 3.27Å; I266-T269 PolarHBondContact O-N 2.95Å; T269-C323 WeakPolarHBondContact O-CB 3.46Å; T269-Y324 PolarHBondContact O-N 3.14Å; T269-Y324 WeakPolarHBondContact OG1-CD2 3.35Å
270	K	92.8	Very high	93	Very high	86 Å²	86	60.6 Å²	60.6	37%	0.374	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	142.8	175.1	-68.6	-164	-170.4	168.3	0	110	I266 V272 Y324	I266-K270 HydrophobicContact CG2-CD 3.57Å; I266-K270 VanDerWaalsContact CG2-CE 3.45Å; I266-K270 HydrophobicContact CG2-CG 3.99Å; I266-K270 VanDerWaalsContact O-CB 3.31Å; I266-K270 WeakPolarHBondContact O-CB 3.44Å; I266-K270 WeakPolarHBondContact O-CG 3.18Å; I266-K270 PolarHBondContact O-N 3.24Å; K270-V272 PolarHBondContact O-N 3.04Å; K270-V272 VanDerWaalsContact O-N 3.12Å; K270-Y324 HydrophobicContact CG-CD1 4.16Å; K270-Y324 HydrophobicContact CG-CD2 4.48Å; K270-Y324 HydrophobicContact CG-CG 3.93Å
271	D	91.7	Very high	93.1	Very high	112 Å²	112	63.1 Å²	63.1	60%	0.599	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	14.2	-176.7	-53.7	-51.6	0	0	0	114.9	I274 D322	D271-I274 HydrophobicContact CB-CD1 4.45Å; D271-D322 WeakPolarHBondContact CA-OD2 3.22Å; D271-D322 PolarHBondContact N-OD2 3.07Å
272	V	92.9	Very high	93.3	Very high	9 Å²	9	63.4 Å²	63.4	6%	0.055	34%	0.341	C	S	.	.	S	Bend	trans	-101.2	129.6	177.1	178.9	0	0	0	0	110.2	K270 C323 D443 V447	K270-V272 PolarHBondContact O-N 3.04Å; K270-V272 VanDerWaalsContact O-N 3.12Å; V272-C323 PolarHBondContact O-N 3.44Å; V272-C323 VanDerWaalsContact O-N 3.11Å; V272-C323 PolarHBondContact O-SG 2.91Å; V272-D443 HydrophobicContact CG1-CB 3.92Å; V272-V447 HydrophobicContact CG1-CG2 3.86Å
273	G	89.6	Confident	93.2	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.341	C	S	.	.	S	Bend	trans	65.1	38.1	173.8	0	0	0	0	0	114.1	R326	G273-R326 PolarHBondContact O-NH2 2.96Å
274	I	93.4	Very high	93.1	Very high	91 Å²	91	61.1 Å²	61.1	47%	0.467	33%	0.332	S	S	.	.			trans	-56.7	135.9	176.9	-64	150.8	0	0	0	110.3	D271 D322	D271-I274 HydrophobicContact CB-CD1 4.45Å; I274-D322 WeakPolarHBondContact CG1-OD1 3.47Å
275	V	91.1	Very high	93	Very high	7 Å²	7	55.9 Å²	55.9	4%	0.042	30%	0.304	C	S	.	.			trans	-129.7	122.6	176.1	-175.2	0	0	0	0	109.2	A280 F285 S293 R326 L435	V275-A280 HydrophobicContact CG1-CB 3.71Å; V275-F285 HydrophobicContact CG1-CD2 4.19Å; V275-F285 HydrophobicContact CG1-CE2 3.89Å; V275-F285 HydrophobicContact CG2-CE2 4.16Å; V275-S293 WeakPolarHBondContact O-CB 3.36Å; V275-R326 VanDerWaalsContact CG2-NH2 3.25Å; V275-L435 HydrophobicContact CB-CD2 4.48Å; V275-L435 HydrophobicContact CG2-CD1 4.49Å; V275-L435 HydrophobicContact CG2-CD2 3.15Å; V275-L435 HydrophobicContact CG2-CG 4.44Å
276	S	91.9	Very high	93	Very high	53 Å²	53	55.4 Å²	55.4	37%	0.371	30%	0.303	S	S	.	.			trans	-68.6	146.8	171.8	76.2	0	0	0	0	110.4	E278 D279 A280	S276-E278 VanDerWaalsContact C-N 3.25Å; S276-E278 PolarHBondContact O-N 3.33Å; S276-D279 PolarHBondContact O-N 3.05Å; S276-D279 WeakPolarHBondContact OG-CB 3.42Å; S276-D279 PolarHBondContact OG-N 2.92Å; S276-D279 PolarHBondContact OG-OD2 3.43Å; S276-A280 WeakPolarHBondContact O-CB 3.39Å; S276-A280 PolarHBondContact O-N 2.63Å
277	A	92.7	Very high	92.9	Very high	39 Å²	39	53.8 Å²	53.8	32%	0.322	30%	0.297	S	S	.	.	H	α-helix	trans	-57.2	-39.5	179.4	0	0	0	0	0	112.4	A280 L281 I295	A277-A280 PolarHBondContact O-N 2.66Å; A277-L281 WeakPolarHBondContact O-CG 3.49Å; A277-L281 PolarHBondContact O-N 3.06Å; A277-I295 HydrophobicContact CB-CD1 3.84Å; A277-I295 HydrophobicContact CB-CG1 3.84Å; A277-I295 WeakPolarHBondContact O-CD1 3.3Å
278	E	93.7	Very high	92.9	Very high	153 Å²	153	48.6 Å²	48.6	72%	0.715	27%	0.265	S	S	*	.	H	α-helix	trans	-64.6	-48.5	178	-64.4	178.2	-179.7	0	0	111.3	S276 A280 L281 D282	S276-E278 VanDerWaalsContact C-N 3.25Å; S276-E278 PolarHBondContact O-N 3.33Å; E278-A280 VanDerWaalsContact C-N 3.27Å; E278-A280 PolarHBondContact O-N 3.35Å; E278-L281 PolarHBondContact O-N 3.32Å; E278-D282 PolarHBondContact O-N 3.41Å
279	D	92.2	Very high	92.8	Very high	51 Å²	51	45.8 Å²	45.8	27%	0.273	25%	0.254	S	S	.	.	H	α-helix	trans	-62.1	-37	177.7	-69.2	-39	0	0	0	112.1	S276 L281 D282 L283 K434	S276-D279 PolarHBondContact O-N 3.05Å; S276-D279 WeakPolarHBondContact OG-CB 3.42Å; S276-D279 PolarHBondContact OG-N 2.92Å; S276-D279 PolarHBondContact OG-OD2 3.43Å; D279-L281 VanDerWaalsContact C-N 3.31Å; D279-L281 PolarHBondContact O-N 3.33Å; D279-D282 PolarHBondContact O-N 2.95Å; D279-L283 VanDerWaalsContact O-CB 3.3Å; D279-L283 WeakPolarHBondContact O-CB 3.44Å; D279-L283 WeakPolarHBondContact O-CD1 3.12Å; D279-L283 WeakPolarHBondContact O-CG 3.41Å; D279-L283 PolarHBondContact O-N 2.96Å; D279-K434 IonicContact OD1-NZ 3.02Å; D279-K434 PolarHBondContact OD1-NZ 3.49Å; D279-K434 IonicContact OD2-NZ 3.79Å; D279-K434 PolarHBondContact OD2-NZ 3.47Å
280	A	92.8	Very high	92.8	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-39.7	178.5	0	0	0	0	0	111.6	V275 S276 A277 E278 G284 F285 L290	V275-A280 HydrophobicContact CG1-CB 3.71Å; S276-A280 WeakPolarHBondContact O-CB 3.39Å; S276-A280 PolarHBondContact O-N 2.63Å; A277-A280 PolarHBondContact O-N 2.66Å; E278-A280 VanDerWaalsContact C-N 3.27Å; E278-A280 PolarHBondContact O-N 3.35Å; A280-G284 PolarHBondContact O-N 3.46Å; A280-F285 HydrophobicContact CB-CB 4.35Å; A280-F285 HydrophobicContact CB-CD2 3.91Å; A280-F285 WeakPolarHBondContact O-CB 3.46Å; A280-F285 PolarHBondContact O-N 3.43Å; A280-L290 HydrophobicContact CB-CD2 3.74Å
281	L	93.9	Very high	92.9	Very high	104 Å²	104	41.9 Å²	41.9	55%	0.545	24%	0.237	S	C	.	.	H	α-helix	trans	-70.1	-45.5	176.3	-69.6	173	0	0	0	111.6	A277 E278 D279 L283 G284 L290 I295	A277-L281 WeakPolarHBondContact O-CG 3.49Å; A277-L281 PolarHBondContact O-N 3.06Å; E278-L281 PolarHBondContact O-N 3.32Å; D279-L281 VanDerWaalsContact C-N 3.31Å; D279-L281 PolarHBondContact O-N 3.33Å; L281-L283 VanDerWaalsContact C-N 3.29Å; L281-L283 PolarHBondContact O-N 3.13Å; L281-G284 PolarHBondContact O-N 2.91Å; L281-L290 HydrophobicContact CD2-CD2 4.18Å; L281-I295 HydrophobicContact CD1-CD1 4.08Å; L281-I295 HydrophobicContact CD2-CD1 3.97Å; L281-I295 HydrophobicContact CG-CD1 3.72Å
282	D	95.1	Very high	92.9	Very high	141 Å²	141	36.6 Å²	36.6	75%	0.754	21%	0.209	S	C	*	.	H	α-helix	trans	-62.5	-37.2	-180	-77.6	-9.5	0	0	0	112.2	E278 D279 G284	E278-D282 PolarHBondContact O-N 3.41Å; D279-D282 PolarHBondContact O-N 2.95Å; D282-G284 PolarHBondContact O-N 2.72Å
283	L	92.2	Very high	92.8	Very high	55 Å²	55	36.9 Å²	36.9	29%	0.288	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-8.6	175.7	-68.3	167.5	0	0	0	113.3	D279 L281 F285 A431 K434	D279-L283 VanDerWaalsContact O-CB 3.3Å; D279-L283 WeakPolarHBondContact O-CB 3.44Å; D279-L283 WeakPolarHBondContact O-CD1 3.12Å; D279-L283 WeakPolarHBondContact O-CG 3.41Å; D279-L283 PolarHBondContact O-N 2.96Å; L281-L283 VanDerWaalsContact C-N 3.29Å; L281-L283 PolarHBondContact O-N 3.13Å; L283-F285 HydrophobicContact CB-CD1 4.08Å; L283-F285 HydrophobicContact CB-CE1 4.02Å; L283-F285 HydrophobicContact CB-CZ 4.5Å; L283-F285 HydrophobicContact CD1-CE1 4.31Å; L283-F285 HydrophobicContact CD1-CE2 4.41Å; L283-F285 HydrophobicContact CD1-CZ 4.03Å; L283-A431 HydrophobicContact CD1-CB 3.63Å; L283-A431 HydrophobicContact CD2-CB 4.19Å; L283-A431 HydrophobicContact CG-CB 4.36Å; L283-K434 HydrophobicContact CD1-CD 4.26Å
284	G	92.5	Very high	92.9	Very high	36 Å²	36	38.4 Å²	38.4	37%	0.371	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	34.2	-178.6	0	0	0	0	0	113.6	A280 L281 D282	A280-G284 PolarHBondContact O-N 3.46Å; L281-G284 PolarHBondContact O-N 2.91Å; D282-G284 PolarHBondContact O-N 2.72Å
285	F	93.8	Very high	92.8	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.035	21%	0.213	C	C	.	.			trans	-63.1	157.5	171.1	-71.8	-5.9	0	0	0	111.2	V275 A280 L283 M289 L290 H428 A431 L435	V275-F285 HydrophobicContact CG1-CD2 4.19Å; V275-F285 HydrophobicContact CG1-CE2 3.89Å; V275-F285 HydrophobicContact CG2-CE2 4.16Å; A280-F285 HydrophobicContact CB-CB 4.35Å; A280-F285 HydrophobicContact CB-CD2 3.91Å; A280-F285 WeakPolarHBondContact O-CB 3.46Å; A280-F285 PolarHBondContact O-N 3.43Å; L283-F285 HydrophobicContact CB-CD1 4.08Å; L283-F285 HydrophobicContact CB-CE1 4.02Å; L283-F285 HydrophobicContact CB-CZ 4.5Å; L283-F285 HydrophobicContact CD1-CE1 4.31Å; L283-F285 HydrophobicContact CD1-CE2 4.41Å; L283-F285 HydrophobicContact CD1-CZ 4.03Å; F285-M289 HydrophobicContact CB-CB 4.09Å; F285-M289 HydrophobicContact CD2-CB 4.08Å; F285-M289 HydrophobicContact CD2-CE 4.01Å; F285-M289 HydrophobicContact CE2-CE 3.72Å; F285-M289 HydrophobicContact CG-CB 4.24Å; F285-M289 HydrophobicContact CZ-CE 4.31Å; F285-L290 HydrophobicContact CB-CD2 3.85Å; F285-L290 HydrophobicContact CB-CG 4.2Å; F285-L290 WeakPolarHBondContact O-CD1 3.47Å; F285-L290 WeakPolarHBondContact O-CD2 3.48Å; F285-L290 VanDerWaalsContact O-CG 3.28Å; F285-L290 WeakPolarHBondContact O-CG 3.42Å; F285-H428 AromaticContact CD1-CE1 3.91Å; F285-H428 AromaticContact CD1-ND1 3.28Å; F285-H428 VanDerWaalsContact CD1-ND1 3.28Å; F285-H428 WeakPolarHBondContact CD1-ND1 3.28Å; F285-H428 AromaticContact CE1-ND1 3.68Å; F285-H428 AromaticContact CG-ND1 3.73Å; F285-A431 HydrophobicContact CE1-CB 3.39Å; F285-A431 HydrophobicContact CZ-CB 3.26Å; F285-L435 HydrophobicContact CZ-CD1 4.32Å
286	S	93.4	Very high	92.8	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.021	25%	0.248	C	C	.	.			trans	-145.8	163.8	179.2	62.4	0	0	0	0	111	E403	S286-E403 PolarHBondContact OG-N 3.11Å
287	G	92.9	Very high	92.9	Very high	7 Å²	7	46.1 Å²	46.1	7%	0.072	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	-135.7	176.6	0	0	0	0	0	114.5	M289 L290 R291	G287-M289 PolarHBondContact O-N 3.19Å; G287-M289 VanDerWaalsContact O-N 3.14Å; G287-L290 PolarHBondContact O-N 3.04Å; G287-R291 PolarHBondContact O-N 2.99Å
288	V	94.3	Very high	93	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-54	-34	-177.9	-178.9	0	0	0	0	112.2	R291 G292 R326 V329 R330 E333	V288-R291 PolarHBondContact O-N 3.46Å; V288-G292 PolarHBondContact O-N 2.78Å; V288-R326 HydrophobicContact CG1-CB 4.02Å; V288-R326 HydrophobicContact CG1-CG 4.37Å; V288-V329 HydrophobicContact CB-CG1 4.5Å; V288-V329 HydrophobicContact CG1-CB 4.27Å; V288-V329 HydrophobicContact CG1-CG1 3.87Å; V288-V329 HydrophobicContact CG2-CG1 4.42Å; V288-R330 HydrophobicContact CG1-CG 4.16Å; V288-R330 HydrophobicContact CG2-CG 4.25Å; V288-E333 WeakPolarHBondContact CG2-OE1 3.39Å
289	M	92.9	Very high	92.9	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.015	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-39.1	179.5	-68.9	-61.1	-59.1	0	0	112.6	F285 G287 R326 H428 L451	F285-M289 HydrophobicContact CB-CB 4.09Å; F285-M289 HydrophobicContact CD2-CB 4.08Å; F285-M289 HydrophobicContact CD2-CE 4.01Å; F285-M289 HydrophobicContact CE2-CE 3.72Å; F285-M289 HydrophobicContact CG-CB 4.24Å; F285-M289 HydrophobicContact CZ-CE 4.31Å; G287-M289 PolarHBondContact O-N 3.19Å; G287-M289 VanDerWaalsContact O-N 3.14Å; M289-R326 VanDerWaalsContact SD-CD 3.55Å; M289-H428 VanDerWaalsContact CG-CE1 3.46Å; M289-H428 WeakPolarHBondContact CG-CE1 3.31Å; M289-L451 HydrophobicContact CE-CD2 3.24Å; M289-L451 HydrophobicContact CG-CD2 4.46Å; M289-L451 HydrophobicContact SD-CD2 3.57Å; M289-L451 VanDerWaalsContact SD-CD2 3.57Å
290	L	93.6	Very high	93	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-72	-46.6	172.7	-70.5	-177.8	0	0	0	111.1	A280 L281 F285 G287 G292 S293 G294 I295 W297	A280-L290 HydrophobicContact CB-CD2 3.74Å; L281-L290 HydrophobicContact CD2-CD2 4.18Å; F285-L290 HydrophobicContact CB-CD2 3.85Å; F285-L290 HydrophobicContact CB-CG 4.2Å; F285-L290 WeakPolarHBondContact O-CD1 3.47Å; F285-L290 WeakPolarHBondContact O-CD2 3.48Å; F285-L290 VanDerWaalsContact O-CG 3.28Å; F285-L290 WeakPolarHBondContact O-CG 3.42Å; G287-L290 PolarHBondContact O-N 3.04Å; L290-G292 VanDerWaalsContact C-N 3.28Å; L290-G292 PolarHBondContact O-N 3.31Å; L290-S293 PolarHBondContact O-N 3.3Å; L290-S293 PolarHBondContact O-OG 3.18Å; L290-G294 PolarHBondContact O-N 3.05Å; L290-I295 HydrophobicContact CB-CB 4.3Å; L290-I295 HydrophobicContact CD2-CD1 3.89Å; L290-I295 PolarHBondContact O-N 2.78Å; L290-W297 HydrophobicContact CD1-CB 4.2Å; L290-W297 HydrophobicContact CD1-CG 4.32Å
291	R	94.9	Very high	93	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-36.3	-178.6	-69.3	-173	-68.5	-139.6	-11.4	112.3	G287 V288 S293 G294 I295 D298 V315 P316 G318 V329 E333 E398	G287-R291 PolarHBondContact O-N 2.99Å; V288-R291 PolarHBondContact O-N 3.46Å; R291-S293 VanDerWaalsContact C-N 3.27Å; R291-S293 PolarHBondContact O-N 3.27Å; R291-G294 PolarHBondContact O-N 3.12Å; R291-G294 VanDerWaalsContact O-N 3.13Å; R291-I295 WeakPolarHBondContact CA-O 3.28Å; R291-D298 IonicContact NH1-OD2 3.63Å; R291-D298 PolarHBondContact NH1-OD2 3.28Å; R291-V315 VanDerWaalsContact CD-CG1 3.48Å; R291-P316 WeakPolarHBondContact CD-O 3.44Å; R291-G318 PolarHBondContact O-N 3Å; R291-V329 HydrophobicContact CB-CG1 4.34Å; R291-E333 IonicContact CZ-OE1 2.8Å; R291-E333 IonicContact CZ-OE2 3.03Å; R291-E333 IonicContact NE-OE1 2.8Å; R291-E333 PolarHBondContact NE-OE1 3.27Å; R291-E333 VanDerWaalsContact NE-OE1 3.16Å; R291-E333 IonicContact NH1-OE1 3.48Å; R291-E333 IonicContact NH2-OE1 3.28Å; R291-E333 PolarHBondContact NH2-OE1 3.08Å; R291-E333 IonicContact NH2-OE2 2.81Å; R291-E333 PolarHBondContact NH2-OE2 3.18Å; R291-E398 IonicContact CZ-OE1 3.68Å; R291-E398 IonicContact NH1-OE1 3.2Å; R291-E398 PolarHBondContact NH1-OE1 2.9Å; R291-E398 IonicContact NH2-OE1 2.76Å; R291-E398 PolarHBondContact NH2-OE1 3.49Å
292	G	91.2	Very high	92.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-34.8	174.8	0	0	0	0	0	113	V288 L290 G294 G318 G321	V288-G292 PolarHBondContact O-N 2.78Å; L290-G292 VanDerWaalsContact C-N 3.28Å; L290-G292 PolarHBondContact O-N 3.31Å; G292-G294 VanDerWaalsContact C-N 3.27Å; G292-G294 PolarHBondContact O-N 3.28Å; G292-G318 CarbonylContact O-C 3.44Å; G292-G318 WeakPolarHBondContact O-CA 3.45Å; G292-G321 WeakPolarHBondContact O-CA 2.95Å; G292-G321 PolarHBondContact O-N 2.72Å; G292-G321 VanDerWaalsContact O-N 3.08Å
293	S	91.1	Very high	92.8	Very high	15 Å²	15	36.9 Å²	36.9	11%	0.105	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	4.2	177.2	68.9	0	0	0	0	114.6	V275 L290 R291	V275-S293 WeakPolarHBondContact O-CB 3.36Å; L290-S293 PolarHBondContact O-N 3.3Å; L290-S293 PolarHBondContact O-OG 3.18Å; R291-S293 VanDerWaalsContact C-N 3.27Å; R291-S293 PolarHBondContact O-N 3.27Å
294	G	90.7	Very high	92.7	Very high	33 Å²	33	36.4 Å²	36.4	34%	0.34	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	0.4	178	0	0	0	0	0	115.7	L290 R291 G292 K296 G318	L290-G294 PolarHBondContact O-N 3.05Å; R291-G294 PolarHBondContact O-N 3.12Å; R291-G294 VanDerWaalsContact O-N 3.13Å; G292-G294 VanDerWaalsContact C-N 3.27Å; G292-G294 PolarHBondContact O-N 3.28Å; G294-K296 PolarHBondContact O-N 3.31Å; G294-G318 VanDerWaalsContact CA-O 3.24Å; G294-G318 WeakPolarHBondContact CA-O 3.32Å; G294-G318 PolarHBondContact N-O 3.22Å
295	I	92.3	Very high	92.8	Very high	33 Å²	33	35.9 Å²	35.9	17%	0.169	18%	0.181	C	C	.	.			trans	-81.1	121.5	179.6	-60.5	167.8	0	0	0	110.1	A277 L281 L290 R291 W297	A277-I295 HydrophobicContact CB-CD1 3.84Å; A277-I295 HydrophobicContact CB-CG1 3.84Å; A277-I295 WeakPolarHBondContact O-CD1 3.3Å; L281-I295 HydrophobicContact CD1-CD1 4.08Å; L281-I295 HydrophobicContact CD2-CD1 3.97Å; L281-I295 HydrophobicContact CG-CD1 3.72Å; L290-I295 HydrophobicContact CB-CB 4.3Å; L290-I295 HydrophobicContact CD2-CD1 3.89Å; L290-I295 PolarHBondContact O-N 2.78Å; R291-I295 WeakPolarHBondContact CA-O 3.28Å; I295-W297 HydrophobicContact CG2-CB 3.85Å; I295-W297 PolarHBondContact O-N 2.94Å
296	K	91.4	Very high	92.6	Very high	175 Å²	175	36.6 Å²	36.6	76%	0.761	19%	0.185	S	C	*	.			trans	-81.5	58	178.8	-55.4	-170.1	178.2	179.9	0	112.3	G294 V317	G294-K296 PolarHBondContact O-N 3.31Å; K296-V317 HydrophobicContact CG-CG1 4.5Å; K296-V317 HydrophobicContact CG-CG2 4.09Å
297	W	93.3	Very high	92.5	Very high	104 Å²	104	36.6 Å²	36.6	39%	0.394	19%	0.185	S	C	.	.			trans	-111.8	117	178.9	-172.8	-104.3	0	0	0	111.1	L290 I295 L299 T302	L290-W297 HydrophobicContact CD1-CB 4.2Å; L290-W297 HydrophobicContact CD1-CG 4.32Å; I295-W297 HydrophobicContact CG2-CB 3.85Å; I295-W297 PolarHBondContact O-N 2.94Å; W297-L299 HydrophobicContact CZ2-CD2 3.94Å; W297-T302 HydrophobicContact CE3-CG2 4.06Å; W297-T302 HydrophobicContact CH2-CG2 4.42Å; W297-T302 HydrophobicContact CZ3-CG2 3.89Å
298	D	94.1	Very high	92.5	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.032	18%	0.182	C	C	.	.			trans	-147.1	127.1	-179.2	175	-56.1	0	0	0	107.3	R291 R300 K301 T302 V315 E398	R291-D298 IonicContact NH1-OD2 3.63Å; R291-D298 PolarHBondContact NH1-OD2 3.28Å; D298-R300 WeakPolarHBondContact OD1-CA 3.14Å; D298-R300 VanDerWaalsContact OD1-CB 3.27Å; D298-R300 WeakPolarHBondContact OD1-CB 3.34Å; D298-R300 PolarHBondContact OD1-N 3.22Å; D298-R300 IonicContact OD1-NE 3.93Å; D298-R300 IonicContact OD2-CZ 3.35Å; D298-R300 IonicContact OD2-NE 3.83Å; D298-R300 PolarHBondContact OD2-NE 3.12Å; D298-R300 IonicContact OD2-NH2 2.8Å; D298-R300 PolarHBondContact OD2-NH2 3.37Å; D298-K301 PolarHBondContact OD1-N 3.39Å; D298-K301 VanDerWaalsContact OD1-N 3.13Å; D298-T302 WeakPolarHBondContact O-CB 3.45Å; D298-T302 WeakPolarHBondContact O-CG2 3.02Å; D298-T302 PolarHBondContact O-N 3.21Å; D298-T302 PolarHBondContact O-OG1 3.03Å; D298-V315 HydrophobicContact CB-CG1 3.88Å; D298-V315 HydrophobicContact CB-CG2 3.97Å; D298-V315 WeakPolarHBondContact OD2-CG2 3.44Å; D298-E398 VanDerWaalsContact OD2-OE1 3.13Å
299	L	93.3	Very high	92.4	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.052	21%	0.214	C	C	.	.	H	α-helix	trans	-77.4	-28.2	-173.1	-68.6	170.4	0	0	0	111.2	W297 K301 T302 Q303 A396 E398 E403	W297-L299 HydrophobicContact CZ2-CD2 3.94Å; L299-K301 PolarHBondContact O-N 3.03Å; L299-T302 WeakPolarHBondContact CA-OG1 3.48Å; L299-Q303 CarbonylContact O-C 3.08Å; L299-Q303 WeakPolarHBondContact O-CA 3.4Å; L299-Q303 PolarHBondContact O-N 2.81Å; L299-A396 HydrophobicContact CD1-CB 4.17Å; L299-E398 HydrophobicContact CB-CB 4.15Å; L299-E398 PolarHBondContact N-OE2 3.29Å; L299-E403 HydrophobicContact CD1-CB 4.03Å; L299-E403 HydrophobicContact CD1-CG 3.67Å
300	R	93.5	Very high	92.3	Very high	5 Å²	5	47 Å²	47	2%	0.019	23%	0.234	C	C	.	.	H	α-helix	trans	-64.1	-29.8	176.4	-62	169	-66.7	173.8	4.7	111.9	E173 R176 D298 P304 Y308 F313 E398	E173-R300 IonicContact OE1-NH1 2.81Å; E173-R300 PolarHBondContact OE1-NH1 3.01Å; E173-R300 IonicContact OE2-NH1 2.84Å; R176-R300 VanDerWaalsContact NE-NH1 3.15Å; D298-R300 WeakPolarHBondContact OD1-CA 3.14Å; D298-R300 VanDerWaalsContact OD1-CB 3.27Å; D298-R300 WeakPolarHBondContact OD1-CB 3.34Å; D298-R300 PolarHBondContact OD1-N 3.22Å; D298-R300 IonicContact OD1-NE 3.93Å; D298-R300 IonicContact OD2-CZ 3.35Å; D298-R300 IonicContact OD2-NE 3.83Å; D298-R300 PolarHBondContact OD2-NE 3.12Å; D298-R300 IonicContact OD2-NH2 2.8Å; D298-R300 PolarHBondContact OD2-NH2 3.37Å; R300-P304 WeakPolarHBondContact O-CB 3.22Å; R300-Y308 HydrophobicContact CB-CD1 3.93Å; R300-Y308 HydrophobicContact CB-CE1 4.25Å; R300-Y308 HydrophobicContact CB-CG 4.14Å; R300-Y308 VanDerWaalsContact CD-CE1 3.42Å; R300-Y308 HydrophobicContact CG-CD1 3.94Å; R300-Y308 HydrophobicContact CG-CD2 4.34Å; R300-Y308 HydrophobicContact CG-CE1 3.76Å; R300-Y308 HydrophobicContact CG-CE2 4.24Å; R300-Y308 HydrophobicContact CG-CG 4.23Å; R300-F313 HydrophobicContact CB-CE1 4.33Å; R300-F313 HydrophobicContact CB-CE2 4.4Å; R300-F313 HydrophobicContact CB-CZ 3.57Å; R300-E398 HydrophobicContact CG-CB 3.89Å; R300-E398 VanDerWaalsContact CG-OE2 3.29Å; R300-E398 WeakPolarHBondContact CG-OE2 3.39Å; R300-E398 IonicContact CZ-OE1 3.51Å; R300-E398 PolarHBondContact N-OE2 2.86Å; R300-E398 IonicContact NE-OE1 3.53Å; R300-E398 PolarHBondContact NE-OE1 3.18Å; R300-E398 IonicContact NE-OE2 3.18Å; R300-E398 PolarHBondContact NE-OE2 3.3Å; R300-E398 VanDerWaalsContact NE-OE2 3.11Å; R300-E398 IonicContact NH2-OE1 3.22Å; R300-E398 PolarHBondContact NH2-OE1 2.84Å; R300-E398 VanDerWaalsContact NH2-OE1 3.12Å
301	K	92.3	Very high	92.2	Very high	92 Å²	92	46.9 Å²	46.9	40%	0.4	23%	0.233	S	C	.	.	H	α-helix	trans	-90.2	-41.1	174.3	-68.2	-59.2	-167.1	-176.6	0	114.1	D298 L299 F313 V315	D298-K301 PolarHBondContact OD1-N 3.39Å; D298-K301 VanDerWaalsContact OD1-N 3.13Å; L299-K301 PolarHBondContact O-N 3.03Å; K301-F313 HydrophobicContact CD-CE1 3.89Å; K301-F313 HydrophobicContact CD-CE2 4.14Å; K301-F313 HydrophobicContact CD-CZ 3.58Å; K301-F313 WeakPolarHBondContact CE-O 3.41Å; K301-F313 HydrophobicContact CG-CE2 4.03Å; K301-F313 HydrophobicContact CG-CZ 3.73Å; K301-F313 PolarHBondContact NZ-O 3.4Å; K301-V315 HydrophobicContact CG-CG2 3.76Å
302	T	92.6	Very high	92.1	Very high	65 Å²	65	51.6 Å²	51.6	40%	0.399	26%	0.258	S	S	.	.	H	α-helix	trans	-80.5	-37.2	-174.2	53.7	0	0	0	0	112.9	W297 D298 L299	W297-T302 HydrophobicContact CE3-CG2 4.06Å; W297-T302 HydrophobicContact CH2-CG2 4.42Å; W297-T302 HydrophobicContact CZ3-CG2 3.89Å; D298-T302 WeakPolarHBondContact O-CB 3.45Å; D298-T302 WeakPolarHBondContact O-CG2 3.02Å; D298-T302 PolarHBondContact O-N 3.21Å; D298-T302 PolarHBondContact O-OG1 3.03Å; L299-T302 WeakPolarHBondContact CA-OG1 3.48Å
303	Q	91.8	Very high	92.3	Very high	117 Å²	117	51.9 Å²	51.9	55%	0.547	26%	0.26	S	S	.	.	S	Bend	trans	-135.6	67.2	-179.5	-63.8	-176.7	6.5	0	0	109.2	L299 Y305	L299-Q303 CarbonylContact O-C 3.08Å; L299-Q303 WeakPolarHBondContact O-CA 3.4Å; L299-Q303 PolarHBondContact O-N 2.81Å; Q303-Y305 WeakPolarHBondContact O-CD1 3.35Å; Q303-Y305 PolarHBondContact O-N 2.8Å
304	P	91.5	Very high	92.5	Very high	45 Å²	45	55.6 Å²	55.6	29%	0.292	28%	0.279	S	S	.	.			trans	-59.6	130.3	-175.8	27	-35.2	0	0	0	110.1	R300 E309	R300-P304 WeakPolarHBondContact O-CB 3.22Å; P304-E309 HydrophobicContact CB-CG 3.51Å; P304-E309 HydrophobicContact CG-CG 3.48Å; P304-E309 VanDerWaalsContact CG-CG 3.48Å
305	Y	93	Very high	92.7	Very high	25 Å²	25	56 Å²	56	10%	0.098	27%	0.274	C	S	.	.			trans	-112.7	163.3	171.8	47.8	-89.4	0	0	0	109.5	L150 Q303 A307 Y308 V397 E398	L150-Y305 HydrophobicContact CD1-CD2 3.86Å; L150-Y305 HydrophobicContact CD1-CG 4.06Å; Q303-Y305 WeakPolarHBondContact O-CD1 3.35Å; Q303-Y305 PolarHBondContact O-N 2.8Å; Y305-A307 PolarHBondContact O-N 2.65Å; Y305-Y308 AromaticContact CD2-CD2 3.97Å; Y305-Y308 HydrophobicContact CD2-CD2 3.97Å; Y305-Y308 AromaticContact CD2-CE2 3.96Å; Y305-Y308 HydrophobicContact CD2-CE2 3.96Å; Y305-Y308 AromaticContact CE2-CD2 3.81Å; Y305-Y308 HydrophobicContact CE2-CD2 3.81Å; Y305-Y308 AromaticContact CE2-CE2 3.39Å; Y305-Y308 HydrophobicContact CE2-CE2 3.39Å; Y305-Y308 AromaticContact CZ-CE2 3.85Å; Y305-Y308 WeakPolarHBondContact O-CD2 3.37Å; Y305-Y308 PolarHBondContact O-N 3.28Å; Y305-V397 HydrophobicContact CD2-CG2 4.44Å; Y305-V397 HydrophobicContact CE1-CB 4.41Å; Y305-V397 HydrophobicContact CE1-CG1 4.34Å; Y305-V397 HydrophobicContact CE1-CG2 4.4Å; Y305-V397 HydrophobicContact CE2-CB 4.42Å; Y305-V397 HydrophobicContact CE2-CG1 3.73Å; Y305-V397 HydrophobicContact CE2-CG2 4.18Å; Y305-V397 VanDerWaalsContact OH-CG1 3.28Å; Y305-V397 WeakPolarHBondContact OH-CG1 3.32Å; Y305-E398 WeakPolarHBondContact OH-CB 3.32Å; Y305-E398 PolarHBondContact OH-N 3.16Å
306	D	91	Very high	92.8	Very high	22 Å²	22	54.9 Å²	54.9	12%	0.118	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	-122.7	-176.9	-66.7	-50.6	0	0	0	113.2	Q146 K165 R168 T169	Q146-D306 PolarHBondContact NE2-OD2 3.17Å; K165-D306 HydrophobicContact CB-CB 4.12Å; K165-D306 HydrophobicContact CG-CB 4.39Å; R168-D306 IonicContact NH1-OD1 3.37Å; T169-D306 HydrophobicContact CG2-CB 3.81Å
307	A	90.9	Very high	92.9	Very high	3 Å²	3	49 Å²	49	3%	0.025	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	8.4	-176	0	0	0	0	0	113.4	K165 Y166 T169 Y305 E309 D310 M311	K165-A307 HydrophobicContact CB-CB 4.29Å; Y166-A307 HydrophobicContact CD1-CB 4.4Å; Y166-A307 HydrophobicContact CD2-CB 4.08Å; Y166-A307 HydrophobicContact CE1-CB 4.42Å; Y166-A307 HydrophobicContact CE2-CB 4.09Å; Y166-A307 HydrophobicContact CG-CB 4.24Å; T169-A307 HydrophobicContact CG2-CB 3.78Å; Y305-A307 PolarHBondContact O-N 2.65Å; A307-E309 PolarHBondContact O-N 3.37Å; A307-E309 VanDerWaalsContact O-N 3.15Å; A307-D310 PolarHBondContact O-N 3.29Å; A307-M311 WeakPolarHBondContact O-CG 3.26Å
308	Y	93.4	Very high	92.8	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.016	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-62.3	-21.7	-178.9	-75.3	-76.1	0	0	0	113.5	T169 S172 E173 R300 Y305 D310 M311 F313	T169-Y308 HydrophobicContact CG2-CD2 4.03Å; T169-Y308 HydrophobicContact CG2-CE2 3.95Å; S172-Y308 PolarHBondContact OG-OH 3.16Å; E173-Y308 WeakPolarHBondContact OE1-CE1 3.12Å; E173-Y308 PolarHBondContact OE1-OH 3.38Å; R300-Y308 HydrophobicContact CB-CD1 3.93Å; R300-Y308 HydrophobicContact CB-CE1 4.25Å; R300-Y308 HydrophobicContact CB-CG 4.14Å; R300-Y308 VanDerWaalsContact CD-CE1 3.42Å; R300-Y308 HydrophobicContact CG-CD1 3.94Å; R300-Y308 HydrophobicContact CG-CD2 4.34Å; R300-Y308 HydrophobicContact CG-CE1 3.76Å; R300-Y308 HydrophobicContact CG-CE2 4.24Å; R300-Y308 HydrophobicContact CG-CG 4.23Å; Y305-Y308 AromaticContact CD2-CD2 3.97Å; Y305-Y308 HydrophobicContact CD2-CD2 3.97Å; Y305-Y308 AromaticContact CD2-CE2 3.96Å; Y305-Y308 HydrophobicContact CD2-CE2 3.96Å; Y305-Y308 AromaticContact CE2-CD2 3.81Å; Y305-Y308 HydrophobicContact CE2-CD2 3.81Å; Y305-Y308 AromaticContact CE2-CE2 3.39Å; Y305-Y308 HydrophobicContact CE2-CE2 3.39Å; Y305-Y308 AromaticContact CZ-CE2 3.85Å; Y305-Y308 WeakPolarHBondContact O-CD2 3.37Å; Y305-Y308 PolarHBondContact O-N 3.28Å; Y308-D310 VanDerWaalsContact C-N 3.27Å; Y308-D310 PolarHBondContact O-N 3.38Å; Y308-M311 PolarHBondContact O-N 2.55Å; Y308-F313 HydrophobicContact CD1-CE1 4.26Å
309	E	91.7	Very high	92.7	Very high	147 Å²	147	49.7 Å²	49.7	69%	0.687	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-61.9	-33.1	173	-63	-172.3	167.9	0	0	112.9	P304 A307 M311	P304-E309 HydrophobicContact CB-CG 3.51Å; P304-E309 HydrophobicContact CG-CG 3.48Å; P304-E309 VanDerWaalsContact CG-CG 3.48Å; A307-E309 PolarHBondContact O-N 3.37Å; A307-E309 VanDerWaalsContact O-N 3.15Å; E309-M311 VanDerWaalsContact C-N 3.29Å; E309-M311 PolarHBondContact O-N 3.48Å
310	D	90.9	Very high	92.6	Very high	79 Å²	79	55 Å²	55	42%	0.422	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-85.7	-0.5	-176.7	-67.5	-26.1	0	0	0	112.9	Y166 A307 Y308 K347	Y166-D310 WeakPolarHBondContact OH-CB 3.34Å; Y166-D310 PolarHBondContact OH-OD2 3.13Å; A307-D310 PolarHBondContact O-N 3.29Å; Y308-D310 VanDerWaalsContact C-N 3.27Å; Y308-D310 PolarHBondContact O-N 3.38Å; D310-K347 PolarHBondContact O-NZ 2.76Å
311	M	91.5	Very high	92.4	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.015	29%	0.289	C	S	.	.			trans	-117	130.1	-163.7	-52.2	-62.4	-78.5	0	0	112.6	Y166 A307 Y308 E309 I340 Q343 C344	Y166-M311 HydrophobicContact CE1-SD 4.47Å; A307-M311 WeakPolarHBondContact O-CG 3.26Å; Y308-M311 PolarHBondContact O-N 2.55Å; E309-M311 VanDerWaalsContact C-N 3.29Å; E309-M311 PolarHBondContact O-N 3.48Å; M311-I340 HydrophobicContact CB-CG2 4.44Å; M311-I340 HydrophobicContact CE-CB 4.33Å; M311-I340 HydrophobicContact CE-CG2 3.48Å; M311-I340 VanDerWaalsContact CE-CG2 3.48Å; M311-I340 WeakPolarHBondContact CE-O 3.48Å; M311-I340 HydrophobicContact CG-CG2 4.45Å; M311-Q343 HydrophobicContact CE-CB 3.36Å; M311-Q343 HydrophobicContact SD-CB 4.04Å; M311-C344 HydrophobicContact CE-CB 4.14Å; M311-C344 WeakPolarHBondContact CE-SG 3.41Å
312	D	93.5	Very high	92.4	Very high	100 Å²	100	50.7 Å²	50.7	54%	0.535	27%	0.272	S	S	.	.			trans	-101.1	109.8	-177.8	-64.5	-37	0	0	0	110.2	R339 Q343	D312-R339 PolarHBondContact O-NE 3.17Å; D312-Q343 PolarHBondContact O-NE2 3.14Å
313	F	94.8	Very high	92.5	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.026	25%	0.253	C	S	.	.			trans	-143.9	156.8	174.7	67.6	-83.2	0	0	0	110.6	R300 K301 Y308 V315 I340	R300-F313 HydrophobicContact CB-CE1 4.33Å; R300-F313 HydrophobicContact CB-CE2 4.4Å; R300-F313 HydrophobicContact CB-CZ 3.57Å; K301-F313 HydrophobicContact CD-CE1 3.89Å; K301-F313 HydrophobicContact CD-CE2 4.14Å; K301-F313 HydrophobicContact CD-CZ 3.58Å; K301-F313 WeakPolarHBondContact CE-O 3.41Å; K301-F313 HydrophobicContact CG-CE2 4.03Å; K301-F313 HydrophobicContact CG-CZ 3.73Å; K301-F313 PolarHBondContact NZ-O 3.4Å; Y308-F313 HydrophobicContact CD1-CE1 4.26Å; F313-V315 HydrophobicContact CD2-CG2 4.38Å; F313-V315 HydrophobicContact CE2-CG2 3.89Å; F313-I340 HydrophobicContact CB-CD1 3.86Å; F313-I340 HydrophobicContact CB-CG1 3.77Å; F313-I340 HydrophobicContact CD1-CD1 3.83Å; F313-I340 HydrophobicContact CD1-CG1 4.1Å; F313-I340 HydrophobicContact CD2-CD1 4.28Å; F313-I340 HydrophobicContact CE1-CD1 4.47Å; F313-I340 HydrophobicContact CG-CD1 3.73Å; F313-I340 HydrophobicContact CG-CG1 4.09Å
314	D	95.2	Very high	92.6	Very high	94 Å²	94	43.5 Å²	43.5	50%	0.503	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-101.4	143.2	178.2	-53	-51.6	0	0	0	109.6	P316 Q336 R339	D314-P316 WeakPolarHBondContact O-CD 3.28Å; D314-Q336 VanDerWaalsContact N-OE1 3.11Å; D314-Q336 WeakPolarHBondContact O-CG 3.47Å; D314-R339 IonicContact OD2-NH1 3.84Å; D314-R339 PolarHBondContact OD2-NH1 3Å
315	V	94.2	Very high	92.8	Very high	42 Å²	42	42.2 Å²	42.2	26%	0.255	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-96.6	116.2	179.3	-179.6	0	0	0	0	108.8	R291 D298 K301 F313	R291-V315 VanDerWaalsContact CD-CG1 3.48Å; D298-V315 HydrophobicContact CB-CG1 3.88Å; D298-V315 HydrophobicContact CB-CG2 3.97Å; D298-V315 WeakPolarHBondContact OD2-CG2 3.44Å; K301-V315 HydrophobicContact CG-CG2 3.76Å; F313-V315 HydrophobicContact CD2-CG2 4.38Å; F313-V315 HydrophobicContact CE2-CG2 3.89Å
316	P	94.9	Very high	92.8	Very high	9 Å²	9	41.1 Å²	41.1	6%	0.058	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-73.1	143.7	178.3	28.4	-32.5	0	0	0	111.5	R291 D314 V329 E332 E333	R291-P316 WeakPolarHBondContact CD-O 3.44Å; D314-P316 WeakPolarHBondContact O-CD 3.28Å; P316-V329 HydrophobicContact CB-CG1 4.39Å; P316-V329 HydrophobicContact CB-CG2 4.49Å; P316-V329 HydrophobicContact CG-CG1 4.05Å; P316-E332 HydrophobicContact CB-CB 3.73Å; P316-E332 WeakPolarHBondContact CB-OE2 3.06Å; P316-E332 HydrophobicContact CG-CB 4.05Å; P316-E333 HydrophobicContact CG-CG 3.59Å
317	V	94.2	Very high	93	Very high	51 Å²	51	40.2 Å²	40.2	31%	0.309	21%	0.214	S	C	.	.			trans	-140.5	131.4	-173.6	-177.8	0	0	0	0	109.2	K296	K296-V317 HydrophobicContact CG-CG1 4.5Å; K296-V317 HydrophobicContact CG-CG2 4.09Å
318	G	91.7	Very high	93.2	Very high	9 Å²	9	42 Å²	42	9%	0.093	22%	0.223	C	C	.	.			trans	-84.4	172.6	174.8	0	0	0	0	0	112.8	R291 G292 G294	R291-G318 PolarHBondContact O-N 3Å; G292-G318 CarbonylContact O-C 3.44Å; G292-G318 WeakPolarHBondContact O-CA 3.45Å; G294-G318 VanDerWaalsContact CA-O 3.24Å; G294-G318 WeakPolarHBondContact CA-O 3.32Å; G294-G318 PolarHBondContact N-O 3.22Å
319	V	91.2	Very high	93.2	Very high	116 Å²	116	41.9 Å²	41.9	70%	0.703	22%	0.222	S	C	*	.	S	Bend	trans	-118.5	-42.1	-175.9	179.9	0	0	0	0	111.7	D325	V319-D325 PolarHBondContact N-OD2 3.04Å
320	H	90.3	Very high	93.4	Very high	121 Å²	121	35.3 Å²	35.3	56%	0.56	19%	0.191	S	C	*	.	S	Bend	trans	-92.5	-29	-171.3	-60.9	-68.2	0	0	0	113	D325	H320-D325 WeakPolarHBondContact CB-OD2 3.4Å; H320-D325 IonicContact CD2-OD1 3.43Å; H320-D325 IonicContact CD2-OD2 3.43Å; H320-D325 IonicContact CG-OD2 3.76Å; H320-D325 PolarHBondContact N-OD2 2.88Å
321	G	90	Very high	93.6	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.01	17%	0.171	C	C	.	.			trans	87.4	6.8	-174.1	0	0	0	0	0	114.5	G292 R326	G292-G321 WeakPolarHBondContact O-CA 2.95Å; G292-G321 PolarHBondContact O-N 2.72Å; G292-G321 VanDerWaalsContact O-N 3.08Å; G321-R326 PolarHBondContact O-NH2 3.49Å
322	D	93.3	Very high	93.8	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.032	19%	0.19	C	C	.	.	S	Bend	trans	-77.2	167.5	-175.2	-61.6	-3.1	0	0	0	113.2	D271 I274 Y324 D325 R326	D271-D322 WeakPolarHBondContact CA-OD2 3.22Å; D271-D322 PolarHBondContact N-OD2 3.07Å; I274-D322 WeakPolarHBondContact CG1-OD1 3.47Å; D322-Y324 PolarHBondContact O-N 3.49Å; D322-D325 PolarHBondContact O-N 2.98Å; D322-R326 WeakPolarHBondContact O-CG 3.27Å; D322-R326 PolarHBondContact O-N 3.34Å
323	C	93.5	Very high	93.9	Very high	1 Å²	1	31 Å²	31	1%	0.007	17%	0.165	C	C	.	.	H	α-helix	trans	-54.1	-38.6	168.2	-68	0	0	0	0	112.5	T269 V272 F327 T450	T269-C323 WeakPolarHBondContact O-CB 3.46Å; V272-C323 PolarHBondContact O-N 3.44Å; V272-C323 VanDerWaalsContact O-N 3.11Å; V272-C323 PolarHBondContact O-SG 2.91Å; C323-F327 PolarHBondContact O-N 3.34Å; C323-F327 VanDerWaalsContact O-N 3.09Å; C323-T450 HydrophobicContact CB-CG2 3.4Å; C323-T450 VanDerWaalsContact CB-CG2 3.4Å; C323-T450 VanDerWaalsContact SG-CG2 3.51Å; C323-T450 PolarHBondContact SG-OG1 3.48Å
324	Y	94.7	Very high	94	Very high	29 Å²	29	30.7 Å²	30.7	11%	0.114	16%	0.164	C	C	.	.	H	α-helix	trans	-65.1	-44.9	179.1	-173.3	-107.2	0	0	0	113	W265 I266 T269 K270 D322 R326 F327 I328	W265-Y324 AromaticContact CD1-CE2 3.95Å; W265-Y324 AromaticContact NE1-CD2 3.99Å; I266-Y324 HydrophobicContact CG1-CE2 4.29Å; T269-Y324 PolarHBondContact O-N 3.14Å; T269-Y324 WeakPolarHBondContact OG1-CD2 3.35Å; K270-Y324 HydrophobicContact CG-CD1 4.16Å; K270-Y324 HydrophobicContact CG-CD2 4.48Å; K270-Y324 HydrophobicContact CG-CG 3.93Å; D322-Y324 PolarHBondContact O-N 3.49Å; Y324-R326 PolarHBondContact O-N 3.28Å; Y324-F327 VanDerWaalsContact O-CB 3.31Å; Y324-F327 WeakPolarHBondContact O-CB 3.37Å; Y324-F327 PolarHBondContact O-N 3.23Å; Y324-F327 VanDerWaalsContact O-N 3.13Å; Y324-I328 HydrophobicContact CD1-CD1 3.71Å; Y324-I328 HydrophobicContact CE1-CD1 3.22Å; Y324-I328 HydrophobicContact CE1-CG1 4.2Å; Y324-I328 PolarHBondContact O-N 2.99Å
325	D	94.2	Very high	94	Very high	19 Å²	19	30.9 Å²	30.9	10%	0.102	16%	0.158	C	C	.	.	H	α-helix	trans	-64.4	-42.2	179	-78.2	9.9	0	0	0	111.2	V319 H320 D322 F327 I328 V329	V319-D325 PolarHBondContact N-OD2 3.04Å; H320-D325 WeakPolarHBondContact CB-OD2 3.4Å; H320-D325 IonicContact CD2-OD1 3.43Å; H320-D325 IonicContact CD2-OD2 3.43Å; H320-D325 IonicContact CG-OD2 3.76Å; H320-D325 PolarHBondContact N-OD2 2.88Å; D322-D325 PolarHBondContact O-N 2.98Å; D325-F327 PolarHBondContact O-N 3.4Å; D325-I328 PolarHBondContact O-N 3.37Å; D325-V329 WeakPolarHBondContact O-CB 3.45Å; D325-V329 VanDerWaalsContact O-CG2 3.24Å; D325-V329 WeakPolarHBondContact O-CG2 3.21Å; D325-V329 PolarHBondContact O-N 2.79Å
326	R	94.5	Very high	94.1	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	15%	0.154	C	C	.	.	H	α-helix	trans	-61.8	-33.8	174.8	-63.9	171.2	-163.8	158.2	12.1	112.1	G273 V275 V288 M289 G321 D322 Y324 R330 T450	G273-R326 PolarHBondContact O-NH2 2.96Å; V275-R326 VanDerWaalsContact CG2-NH2 3.25Å; V288-R326 HydrophobicContact CG1-CB 4.02Å; V288-R326 HydrophobicContact CG1-CG 4.37Å; M289-R326 VanDerWaalsContact SD-CD 3.55Å; G321-R326 PolarHBondContact O-NH2 3.49Å; D322-R326 WeakPolarHBondContact O-CG 3.27Å; D322-R326 PolarHBondContact O-N 3.34Å; Y324-R326 PolarHBondContact O-N 3.28Å; R326-R330 WeakPolarHBondContact O-CG 3.45Å; R326-R330 PolarHBondContact O-N 2.95Å; R326-R330 PolarHBondContact O-NH1 2.9Å; R326-T450 PolarHBondContact NH1-OG1 3.44Å
327	F	94.1	Very high	94.2	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.018	15%	0.151	C	C	.	.	H	α-helix	trans	-66.7	-47.2	175.7	179.2	-93.5	0	0	0	111.3	V184 V188 L259 F260 W265 C323 Y324 D325 V329 R330 M331	V184-F327 HydrophobicContact CB-CE2 4.18Å; V184-F327 HydrophobicContact CG1-CE2 3.59Å; V184-F327 HydrophobicContact CG1-CZ 3.88Å; V184-F327 HydrophobicContact CG2-CD2 4.47Å; V184-F327 HydrophobicContact CG2-CE2 4.05Å; V188-F327 HydrophobicContact CG2-CE2 4.3Å; L259-F327 HydrophobicContact CB-CE1 4.29Å; L259-F327 HydrophobicContact CB-CZ 4.34Å; L259-F327 HydrophobicContact CD1-CE1 4.18Å; L259-F327 HydrophobicContact CD1-CE2 4.15Å; L259-F327 HydrophobicContact CD1-CZ 3.42Å; L259-F327 VanDerWaalsContact CD1-CZ 3.42Å; L259-F327 HydrophobicContact CG-CZ 4.49Å; F260-F327 HydrophobicContact CD1-CD1 4.46Å; F260-F327 HydrophobicContact CD1-CE1 4.11Å; F260-F327 AromaticContact CE1-CD1 3.87Å; F260-F327 HydrophobicContact CE1-CD1 3.87Å; F260-F327 AromaticContact CE1-CE1 3.59Å; F260-F327 HydrophobicContact CE1-CE1 3.59Å; W265-F327 HydrophobicContact CH2-CD2 4.49Å; W265-F327 HydrophobicContact CH2-CE2 4.48Å; W265-F327 HydrophobicContact CZ2-CD1 4.4Å; W265-F327 AromaticContact CZ2-CD2 3.65Å; W265-F327 HydrophobicContact CZ2-CD2 3.65Å; W265-F327 AromaticContact CZ2-CE2 3.8Å; W265-F327 HydrophobicContact CZ2-CE2 3.8Å; W265-F327 AromaticContact CZ2-CG 3.97Å; W265-F327 HydrophobicContact CZ2-CG 3.97Å; W265-F327 HydrophobicContact CZ2-CZ 4.3Å; W265-F327 AromaticContact NE1-CD1 3.92Å; C323-F327 PolarHBondContact O-N 3.34Å; C323-F327 VanDerWaalsContact O-N 3.09Å; Y324-F327 VanDerWaalsContact O-CB 3.31Å; Y324-F327 WeakPolarHBondContact O-CB 3.37Å; Y324-F327 PolarHBondContact O-N 3.23Å; Y324-F327 VanDerWaalsContact O-N 3.13Å; D325-F327 PolarHBondContact O-N 3.4Å; F327-V329 PolarHBondContact O-N 2.85Å; F327-R330 PolarHBondContact O-N 2.68Å; F327-M331 HydrophobicContact CD1-CG 4.38Å; F327-M331 HydrophobicContact CE1-CG 3.89Å; F327-M331 HydrophobicContact CZ-CG 4.1Å; F327-M331 HydrophobicContact CZ-SD 4.27Å; F327-M331 PolarHBondContact O-N 3.09Å; F327-M331 VanDerWaalsContact O-N 3.13Å
328	I	94.7	Very high	94.3	Very high	40 Å²	40	28.2 Å²	28.2	21%	0.205	14%	0.139	C	C	.	.	H	α-helix	trans	-59.7	-46.7	175.6	-67.9	168.7	0	0	0	110.8	F260 Y324 D325 R330 M331 E332	F260-I328 HydrophobicContact CD1-CG1 4.49Å; F260-I328 HydrophobicContact CE1-CG1 3.86Å; F260-I328 HydrophobicContact CZ-CG1 4.33Å; Y324-I328 HydrophobicContact CD1-CD1 3.71Å; Y324-I328 HydrophobicContact CE1-CD1 3.22Å; Y324-I328 HydrophobicContact CE1-CG1 4.2Å; Y324-I328 PolarHBondContact O-N 2.99Å; D325-I328 PolarHBondContact O-N 3.37Å; I328-R330 VanDerWaalsContact C-N 3.26Å; I328-R330 PolarHBondContact O-N 2.99Å; I328-M331 WeakPolarHBondContact O-CB 3.48Å; I328-M331 PolarHBondContact O-N 3.04Å; I328-E332 HydrophobicContact CG2-CG 4.21Å; I328-E332 PolarHBondContact O-N 2.91Å
329	V	95.2	Very high	94.6	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-54.9	-41.5	178.8	168.2	0	0	0	0	111.2	V288 R291 P316 D325 F327 E332 E333	V288-V329 HydrophobicContact CB-CG1 4.5Å; V288-V329 HydrophobicContact CG1-CB 4.27Å; V288-V329 HydrophobicContact CG1-CG1 3.87Å; V288-V329 HydrophobicContact CG2-CG1 4.42Å; R291-V329 HydrophobicContact CB-CG1 4.34Å; P316-V329 HydrophobicContact CB-CG1 4.39Å; P316-V329 HydrophobicContact CB-CG2 4.49Å; P316-V329 HydrophobicContact CG-CG1 4.05Å; D325-V329 WeakPolarHBondContact O-CB 3.45Å; D325-V329 VanDerWaalsContact O-CG2 3.24Å; D325-V329 WeakPolarHBondContact O-CG2 3.21Å; D325-V329 PolarHBondContact O-N 2.79Å; F327-V329 PolarHBondContact O-N 2.85Å; V329-E332 PolarHBondContact O-N 3.35Å; V329-E333 VanDerWaalsContact CG1-OE1 3.25Å; V329-E333 WeakPolarHBondContact CG1-OE1 3.29Å; V329-E333 WeakPolarHBondContact O-CB 3.49Å; V329-E333 WeakPolarHBondContact O-CG 3.45Å; V329-E333 PolarHBondContact O-N 3.18Å
330	R	95.3	Very high	94.8	Very high	8 Å²	8	27 Å²	27	3%	0.03	12%	0.119	C	C	.	.	H	α-helix	trans	-66.3	-41.3	175.1	-71	-177.3	-178.9	94.3	2.8	113.2	V184 V288 R326 F327 I328 E332 E333 M334 T450	V184-R330 HydrophobicContact CG2-CB 4.28Å; V288-R330 HydrophobicContact CG1-CG 4.16Å; V288-R330 HydrophobicContact CG2-CG 4.25Å; R326-R330 WeakPolarHBondContact O-CG 3.45Å; R326-R330 PolarHBondContact O-N 2.95Å; R326-R330 PolarHBondContact O-NH1 2.9Å; F327-R330 PolarHBondContact O-N 2.68Å; I328-R330 VanDerWaalsContact C-N 3.26Å; I328-R330 PolarHBondContact O-N 2.99Å; R330-E332 VanDerWaalsContact C-N 3.32Å; R330-E333 PolarHBondContact O-N 3.4Å; R330-M334 WeakPolarHBondContact O-CG 3.04Å; R330-M334 PolarHBondContact O-N 2.91Å; R330-T450 PolarHBondContact NH1-O 3.32Å; R330-T450 PolarHBondContact NH2-O 2.92Å
331	M	94.6	Very high	95.1	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-63.1	-40.8	176.6	-68.8	-64.6	-66.7	0	0	111.3	V184 L252 I255 F260 F327 I328 M334 R335	V184-M331 HydrophobicContact CG1-SD 4.04Å; V184-M331 HydrophobicContact CG2-SD 4.16Å; L252-M331 HydrophobicContact CB-CE 4.43Å; L252-M331 HydrophobicContact CD2-CE 4.26Å; I255-M331 HydrophobicContact CB-CE 4.28Å; I255-M331 HydrophobicContact CG2-CE 4.03Å; I255-M331 HydrophobicContact CG2-SD 4.41Å; F260-M331 HydrophobicContact CE1-CG 4.29Å; F260-M331 HydrophobicContact CZ-CB 4.04Å; F260-M331 HydrophobicContact CZ-CG 4.01Å; F327-M331 HydrophobicContact CD1-CG 4.38Å; F327-M331 HydrophobicContact CE1-CG 3.89Å; F327-M331 HydrophobicContact CZ-CG 4.1Å; F327-M331 HydrophobicContact CZ-SD 4.27Å; F327-M331 PolarHBondContact O-N 3.09Å; F327-M331 VanDerWaalsContact O-N 3.13Å; I328-M331 WeakPolarHBondContact O-CB 3.48Å; I328-M331 PolarHBondContact O-N 3.04Å; M331-M334 HydrophobicContact CE-CE 4.27Å; M331-M334 HydrophobicContact CG-CE 4.37Å; M331-M334 HydrophobicContact SD-CE 3.29Å; M331-M334 WeakPolarHBondContact SD-CE 3.38Å; M331-R335 PolarHBondContact O-N 3.38Å
332	E	95.4	Very high	95.4	Very high	88 Å²	88	25.3 Å²	25.3	41%	0.411	11%	0.111	S	C	.	.	H	α-helix	trans	-69.7	-39.8	175.5	-70	-175	169.4	0	0	112.1	P316 I328 V329 R330 M334 R335 Q336	P316-E332 HydrophobicContact CB-CB 3.73Å; P316-E332 WeakPolarHBondContact CB-OE2 3.06Å; P316-E332 HydrophobicContact CG-CB 4.05Å; I328-E332 HydrophobicContact CG2-CG 4.21Å; I328-E332 PolarHBondContact O-N 2.91Å; V329-E332 PolarHBondContact O-N 3.35Å; R330-E332 VanDerWaalsContact C-N 3.32Å; E332-M334 VanDerWaalsContact C-N 3.3Å; E332-M334 PolarHBondContact O-N 2.8Å; E332-R335 WeakPolarHBondContact O-CB 3.26Å; E332-R335 PolarHBondContact O-N 3.15Å; E332-R335 VanDerWaalsContact O-N 3.08Å; E332-Q336 WeakPolarHBondContact O-CG 3.32Å; E332-Q336 PolarHBondContact O-N 3.06Å
333	E	96	Very high	95.5	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.009	12%	0.116	C	C	.	.	H	α-helix	trans	-58.5	-40.9	174	-81.6	178.2	-138.9	0	0	112	H180 V288 R291 P316 V329 R330 R335 Q336 S337	H180-E333 IonicContact CE1-OE2 3.34Å; H180-E333 IonicContact NE2-OE2 3.39Å; H180-E333 PolarHBondContact NE2-OE2 3.23Å; V288-E333 WeakPolarHBondContact CG2-OE1 3.39Å; R291-E333 IonicContact CZ-OE1 2.8Å; R291-E333 IonicContact CZ-OE2 3.03Å; R291-E333 IonicContact NE-OE1 2.8Å; R291-E333 PolarHBondContact NE-OE1 3.27Å; R291-E333 VanDerWaalsContact NE-OE1 3.16Å; R291-E333 IonicContact NH1-OE1 3.48Å; R291-E333 IonicContact NH2-OE1 3.28Å; R291-E333 PolarHBondContact NH2-OE1 3.08Å; R291-E333 IonicContact NH2-OE2 2.81Å; R291-E333 PolarHBondContact NH2-OE2 3.18Å; P316-E333 HydrophobicContact CG-CG 3.59Å; V329-E333 VanDerWaalsContact CG1-OE1 3.25Å; V329-E333 WeakPolarHBondContact CG1-OE1 3.29Å; V329-E333 WeakPolarHBondContact O-CB 3.49Å; V329-E333 WeakPolarHBondContact O-CG 3.45Å; V329-E333 PolarHBondContact O-N 3.18Å; R330-E333 PolarHBondContact O-N 3.4Å; E333-R335 VanDerWaalsContact C-N 3.32Å; E333-R335 PolarHBondContact O-N 3.26Å; E333-Q336 PolarHBondContact O-N 2.92Å; E333-S337 WeakPolarHBondContact O-CB 3.43Å; E333-S337 PolarHBondContact O-N 3.14Å; E333-S337 PolarHBondContact O-OG 2.83Å; E333-S337 VanDerWaalsContact O-OG 3.1Å
334	M	96.3	Very high	95.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60	-41.1	174.1	-71.8	-171.6	-71.9	0	0	112.1	H180 V184 L252 R330 M331 E332 S337 L338	H180-M334 HydrophobicContact CB-CE 4.4Å; H180-M334 HydrophobicContact CB-CG 3.52Å; H180-M334 HydrophobicContact CB-SD 3.66Å; V184-M334 HydrophobicContact CG2-CE 4.12Å; L252-M334 HydrophobicContact CD1-CB 3.94Å; L252-M334 HydrophobicContact CD2-CB 4.39Å; L252-M334 HydrophobicContact CD2-CE 3.63Å; L252-M334 HydrophobicContact CD2-SD 3.86Å; R330-M334 WeakPolarHBondContact O-CG 3.04Å; R330-M334 PolarHBondContact O-N 2.91Å; M331-M334 HydrophobicContact CE-CE 4.27Å; M331-M334 HydrophobicContact CG-CE 4.37Å; M331-M334 HydrophobicContact SD-CE 3.29Å; M331-M334 WeakPolarHBondContact SD-CE 3.38Å; E332-M334 VanDerWaalsContact C-N 3.3Å; E332-M334 PolarHBondContact O-N 2.8Å; M334-S337 PolarHBondContact O-N 2.99Å; M334-L338 WeakPolarHBondContact O-CG 3.45Å; M334-L338 PolarHBondContact O-N 3.43Å; M334-L338 VanDerWaalsContact O-N 3.17Å
335	R	96.6	Very high	95.6	Very high	97 Å²	97	26.1 Å²	26.1	37%	0.366	12%	0.116	S	C	.	.	H	α-helix	trans	-65.9	-39.4	175.8	-64.7	-173.7	-171	-108.8	0.6	111.8	L252 D253 M331 E332 E333 L338 R339	L252-R335 HydrophobicContact CD1-CG 4.01Å; D253-R335 IonicContact OD1-CZ 2.79Å; D253-R335 IonicContact OD1-NH1 3.2Å; D253-R335 PolarHBondContact OD1-NH1 2.82Å; D253-R335 IonicContact OD1-NH2 2.82Å; D253-R335 PolarHBondContact OD1-NH2 3.5Å; M331-R335 PolarHBondContact O-N 3.38Å; E332-R335 WeakPolarHBondContact O-CB 3.26Å; E332-R335 PolarHBondContact O-N 3.15Å; E332-R335 VanDerWaalsContact O-N 3.08Å; E333-R335 VanDerWaalsContact C-N 3.32Å; E333-R335 PolarHBondContact O-N 3.26Å; R335-L338 PolarHBondContact O-N 2.89Å; R335-R339 PolarHBondContact O-N 3.07Å
336	Q	96.3	Very high	95.6	Very high	37 Å²	37	30.9 Å²	30.9	17%	0.173	14%	0.141	C	C	.	.	H	α-helix	trans	-68.9	-38	177.2	-64.1	-65.4	-21.4	0	0	111.7	D314 E332 E333 L338 R339 I340	D314-Q336 VanDerWaalsContact N-OE1 3.11Å; D314-Q336 WeakPolarHBondContact O-CG 3.47Å; E332-Q336 WeakPolarHBondContact O-CG 3.32Å; E332-Q336 PolarHBondContact O-N 3.06Å; E333-Q336 PolarHBondContact O-N 2.92Å; Q336-L338 VanDerWaalsContact C-N 3.32Å; Q336-L338 PolarHBondContact O-N 3.5Å; Q336-R339 WeakPolarHBondContact O-CB 3.35Å; Q336-R339 PolarHBondContact O-N 3.36Å; Q336-R339 VanDerWaalsContact O-N 3.14Å; Q336-I340 WeakPolarHBondContact O-CG1 3.37Å; Q336-I340 PolarHBondContact O-N 3.39Å
337	S	96.6	Very high	95.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-41.7	172.8	-68.3	0	0	0	0	112.3	E173 R176 E333 M334 R339 I340 M341	E173-S337 WeakPolarHBondContact OE2-CA 3.33Å; E173-S337 WeakPolarHBondContact OE2-CB 3.43Å; E173-S337 PolarHBondContact OE2-OG 2.84Å; R176-S337 WeakPolarHBondContact CD-OG 3.46Å; E333-S337 WeakPolarHBondContact O-CB 3.43Å; E333-S337 PolarHBondContact O-N 3.14Å; E333-S337 PolarHBondContact O-OG 2.83Å; E333-S337 VanDerWaalsContact O-OG 3.1Å; M334-S337 PolarHBondContact O-N 2.99Å; S337-R339 VanDerWaalsContact C-N 3.32Å; S337-R339 PolarHBondContact O-N 2.84Å; S337-I340 PolarHBondContact O-N 2.82Å; S337-M341 VanDerWaalsContact O-CG 3.32Å; S337-M341 WeakPolarHBondContact O-CG 3.22Å; S337-M341 PolarHBondContact O-N 2.75Å
338	L	96.6	Very high	95.3	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.052	17%	0.168	C	C	.	.	H	α-helix	trans	-60.6	-41.3	174.9	-66.2	167.9	0	0	0	112.1	I177 I245 F248 P249 L252 M334 R335 Q336 M341 E342	I177-L338 HydrophobicContact CD1-CD2 3.73Å; I177-L338 HydrophobicContact CD1-CG 4.12Å; I245-L338 HydrophobicContact CG1-CD2 4.37Å; I245-L338 HydrophobicContact CG2-CB 4.5Å; I245-L338 HydrophobicContact CG2-CD2 4.34Å; F248-L338 HydrophobicContact CB-CD2 4.32Å; F248-L338 HydrophobicContact CD1-CD1 3.61Å; F248-L338 HydrophobicContact CD1-CD2 3.72Å; F248-L338 HydrophobicContact CD1-CG 4.06Å; F248-L338 HydrophobicContact CE1-CD1 4.32Å; F248-L338 HydrophobicContact CG-CD2 4.4Å; P249-L338 HydrophobicContact CG-CD1 3.88Å; L252-L338 HydrophobicContact CD1-CD1 4.12Å; M334-L338 WeakPolarHBondContact O-CG 3.45Å; M334-L338 PolarHBondContact O-N 3.43Å; M334-L338 VanDerWaalsContact O-N 3.17Å; R335-L338 PolarHBondContact O-N 2.89Å; Q336-L338 VanDerWaalsContact C-N 3.32Å; Q336-L338 PolarHBondContact O-N 3.5Å; L338-M341 PolarHBondContact O-N 2.84Å; L338-E342 PolarHBondContact O-N 3.2Å
339	R	96.5	Very high	95.3	Very high	100 Å²	100	36.6 Å²	36.6	38%	0.377	17%	0.169	S	C	.	.	H	α-helix	trans	-63	-41.3	175.8	-176.2	-179.8	179.2	-174.7	-2.5	111.7	D312 D314 R335 Q336 S337 Q343	D312-R339 PolarHBondContact O-NE 3.17Å; D314-R339 IonicContact OD2-NH1 3.84Å; D314-R339 PolarHBondContact OD2-NH1 3Å; R335-R339 PolarHBondContact O-N 3.07Å; Q336-R339 WeakPolarHBondContact O-CB 3.35Å; Q336-R339 PolarHBondContact O-N 3.36Å; Q336-R339 VanDerWaalsContact O-N 3.14Å; S337-R339 VanDerWaalsContact C-N 3.32Å; S337-R339 PolarHBondContact O-N 2.84Å; R339-Q343 WeakPolarHBondContact O-CG 3.14Å; R339-Q343 PolarHBondContact O-N 2.99Å; R339-Q343 VanDerWaalsContact O-N 3.15Å
340	I	96.6	Very high	95.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-43.9	175.1	-60.9	166.1	0	0	0	109.9	E173 M311 F313 Q336 S337 E342 Q343 C344	E173-I340 HydrophobicContact CG-CB 4.1Å; E173-I340 HydrophobicContact CG-CD1 4.25Å; E173-I340 HydrophobicContact CG-CG2 3.75Å; M311-I340 HydrophobicContact CB-CG2 4.44Å; M311-I340 HydrophobicContact CE-CB 4.33Å; M311-I340 HydrophobicContact CE-CG2 3.48Å; M311-I340 VanDerWaalsContact CE-CG2 3.48Å; M311-I340 WeakPolarHBondContact CE-O 3.48Å; M311-I340 HydrophobicContact CG-CG2 4.45Å; F313-I340 HydrophobicContact CB-CD1 3.86Å; F313-I340 HydrophobicContact CB-CG1 3.77Å; F313-I340 HydrophobicContact CD1-CD1 3.83Å; F313-I340 HydrophobicContact CD1-CG1 4.1Å; F313-I340 HydrophobicContact CD2-CD1 4.28Å; F313-I340 HydrophobicContact CE1-CD1 4.47Å; F313-I340 HydrophobicContact CG-CD1 3.73Å; F313-I340 HydrophobicContact CG-CG1 4.09Å; Q336-I340 WeakPolarHBondContact O-CG1 3.37Å; Q336-I340 PolarHBondContact O-N 3.39Å; S337-I340 PolarHBondContact O-N 2.82Å; I340-E342 PolarHBondContact O-N 3.28Å; I340-Q343 PolarHBondContact O-N 3.43Å; I340-C344 PolarHBondContact O-N 3.4Å
341	M	96.4	Very high	94.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-44.3	177.8	-72.1	177.6	60.7	0	0	112.2	E173 I174 I177 I241 I245 S337 L338 Q343 C344 L345	E173-M341 HydrophobicContact CB-CG 3.95Å; I174-M341 HydrophobicContact CD1-CE 3.91Å; I174-M341 HydrophobicContact CG1-CE 3.44Å; I174-M341 VanDerWaalsContact CG1-CE 3.44Å; I174-M341 HydrophobicContact CG1-SD 3.78Å; I177-M341 HydrophobicContact CD1-SD 3.62Å; I241-M341 HydrophobicContact CG2-CE 3.65Å; I245-M341 HydrophobicContact CD1-CB 3.68Å; I245-M341 HydrophobicContact CD1-CE 3.95Å; I245-M341 HydrophobicContact CG1-CB 4.31Å; I245-M341 HydrophobicContact CG1-CE 3.87Å; S337-M341 VanDerWaalsContact O-CG 3.32Å; S337-M341 WeakPolarHBondContact O-CG 3.22Å; S337-M341 PolarHBondContact O-N 2.75Å; L338-M341 PolarHBondContact O-N 2.84Å; M341-Q343 PolarHBondContact O-N 3.27Å; M341-C344 WeakPolarHBondContact O-CB 3.44Å; M341-C344 PolarHBondContact O-N 3.31Å; M341-C344 VanDerWaalsContact O-N 3.15Å; M341-L345 WeakPolarHBondContact O-CG 3.21Å; M341-L345 PolarHBondContact O-N 3.35Å
342	E	96	Very high	94.8	Very high	86 Å²	86	52.1 Å²	52.1	40%	0.402	25%	0.252	S	S	.	.	H	α-helix	trans	-59.6	-44.9	176.4	-174.4	-179.1	-173.2	0	0	111.8	L338 I340 C344 L345 N346	L338-E342 PolarHBondContact O-N 3.2Å; I340-E342 PolarHBondContact O-N 3.28Å; E342-C344 VanDerWaalsContact C-N 3.32Å; E342-C344 PolarHBondContact O-N 3.21Å; E342-L345 PolarHBondContact O-N 2.97Å; E342-N346 PolarHBondContact O-N 3.36Å; E342-N346 VanDerWaalsContact O-N 3.13Å; E342-N346 PolarHBondContact O-ND2 2.92Å
343	Q	96	Very high	94.7	Very high	30 Å²	30	48.7 Å²	48.7	14%	0.14	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-38.3	175.1	-71.5	172.4	21	0	0	112	M311 D312 R339 I340 M341 N346 K347	M311-Q343 HydrophobicContact CE-CB 3.36Å; M311-Q343 HydrophobicContact SD-CB 4.04Å; D312-Q343 PolarHBondContact O-NE2 3.14Å; R339-Q343 WeakPolarHBondContact O-CG 3.14Å; R339-Q343 PolarHBondContact O-N 2.99Å; R339-Q343 VanDerWaalsContact O-N 3.15Å; I340-Q343 PolarHBondContact O-N 3.43Å; M341-Q343 PolarHBondContact O-N 3.27Å; Q343-N346 PolarHBondContact O-N 3.34Å; Q343-K347 WeakPolarHBondContact O-CB 3.44Å; Q343-K347 WeakPolarHBondContact O-CG 3.12Å; Q343-K347 PolarHBondContact O-N 3.11Å
344	C	94.8	Very high	94.5	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63	-47	178.8	-86.7	0	0	0	0	109.6	T169 L170 M311 I340 M341 E342 N346 K347 M348	T169-C344 PolarHBondContact OG1-SG 3.24Å; T169-C344 VanDerWaalsContact OG1-SG 3.35Å; L170-C344 HydrophobicContact CB-CB 4.16Å; L170-C344 HydrophobicContact CD1-CB 4.33Å; M311-C344 HydrophobicContact CE-CB 4.14Å; M311-C344 WeakPolarHBondContact CE-SG 3.41Å; I340-C344 PolarHBondContact O-N 3.4Å; M341-C344 WeakPolarHBondContact O-CB 3.44Å; M341-C344 PolarHBondContact O-N 3.31Å; M341-C344 VanDerWaalsContact O-N 3.15Å; E342-C344 VanDerWaalsContact C-N 3.32Å; E342-C344 PolarHBondContact O-N 3.21Å; C344-N346 VanDerWaalsContact C-N 3.31Å; C344-N346 PolarHBondContact O-N 3.21Å; C344-K347 PolarHBondContact O-N 2.89Å; C344-M348 WeakPolarHBondContact O-CG 3.32Å; C344-M348 PolarHBondContact O-N 3.44Å
345	L	94.3	Very high	94.3	Very high	22 Å²	22	52 Å²	52	12%	0.115	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-41.9	178.5	-65.4	177.4	0	0	0	111.8	L170 M238 I241 Y242 I245 M341 E342 M348	L170-L345 HydrophobicContact CD1-CD2 3.67Å; L170-L345 HydrophobicContact CD1-CG 4.35Å; M238-L345 HydrophobicContact CB-CD2 4.5Å; M238-L345 HydrophobicContact CE-CB 4.16Å; M238-L345 HydrophobicContact CE-CD2 3.26Å; M238-L345 HydrophobicContact CE-CG 4.29Å; M238-L345 HydrophobicContact SD-CD2 3.48Å; M238-L345 WeakPolarHBondContact SD-CD2 3.5Å; I241-L345 HydrophobicContact CG2-CD1 4.19Å; I241-L345 HydrophobicContact CG2-CD2 4.31Å; Y242-L345 HydrophobicContact CD2-CD1 4.2Å; I245-L345 HydrophobicContact CD1-CD1 3.54Å; I245-L345 HydrophobicContact CD1-CG 4.49Å; M341-L345 WeakPolarHBondContact O-CG 3.21Å; M341-L345 PolarHBondContact O-N 3.35Å; E342-L345 PolarHBondContact O-N 2.97Å; L345-M348 HydrophobicContact CD2-CE 4.44Å
346	N	94.8	Very high	94.1	Very high	120 Å²	120	53.6 Å²	53.6	64%	0.642	27%	0.269	S	S	*	.	H	α-helix	trans	-72.3	-33.3	-178.1	-71.8	-30	0	0	0	113.9	E342 Q343 C344	E342-N346 PolarHBondContact O-N 3.36Å; E342-N346 VanDerWaalsContact O-N 3.13Å; E342-N346 PolarHBondContact O-ND2 2.92Å; Q343-N346 PolarHBondContact O-N 3.34Å; C344-N346 VanDerWaalsContact C-N 3.31Å; C344-N346 PolarHBondContact O-N 3.21Å
347	K	92.8	Very high	93.8	Very high	95 Å²	95	55.3 Å²	55.3	41%	0.413	28%	0.279	S	S	.	.	H	α-helix	trans	-98.1	3	-174	-66.4	-177.7	-175.5	-179.5	0	114.3	Y166 D310 Q343 C344 P349	Y166-K347 HydrophobicContact CE1-CB 3.65Å; D310-K347 PolarHBondContact O-NZ 2.76Å; Q343-K347 WeakPolarHBondContact O-CB 3.44Å; Q343-K347 WeakPolarHBondContact O-CG 3.12Å; Q343-K347 PolarHBondContact O-N 3.11Å; C344-K347 PolarHBondContact O-N 2.89Å; K347-P349 VanDerWaalsContact O-CD 3.22Å; K347-P349 WeakPolarHBondContact O-CD 3.39Å; K347-P349 VanDerWaalsContact O-N 3.15Å
348	M	90.6	Very high	93.5	Very high	33 Å²	33	56.7 Å²	56.7	16%	0.163	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-59.5	116.6	-173.3	-72.6	-143.2	178	0	0	113.7	L170 M233 M238 C344 L345	L170-M348 HydrophobicContact CB-CE 4.27Å; L170-M348 HydrophobicContact CD1-CE 3.27Å; L170-M348 HydrophobicContact CG-CE 4.37Å; M233-M348 HydrophobicContact CE-CE 3.87Å; M233-M348 HydrophobicContact CE-SD 3.53Å; M233-M348 VanDerWaalsContact CE-SD 3.53Å; M238-M348 HydrophobicContact CE-CB 4.44Å; M238-M348 HydrophobicContact CE-CE 3.74Å; M238-M348 HydrophobicContact CE-CG 3.8Å; M238-M348 HydrophobicContact CE-SD 3.37Å; M238-M348 WeakPolarHBondContact CE-SD 3.48Å; M238-M348 HydrophobicContact SD-CE 3.88Å; M238-M348 HydrophobicContact SD-SD 3.79Å; C344-M348 WeakPolarHBondContact O-CG 3.32Å; C344-M348 PolarHBondContact O-N 3.44Å; L345-M348 HydrophobicContact CD2-CE 4.44Å
349	P	93.4	Very high	93.3	Very high	37 Å²	37	62.8 Å²	62.8	24%	0.24	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-76.1	153	175.1	30.2	-32	0	0	0	111.6	P162 R163 Y166 K347	P162-P349 HydrophobicContact CB-CG 4.09Å; P162-P349 HydrophobicContact CG-CG 4.45Å; R163-P349 HydrophobicContact CB-CG 4.37Å; R163-P349 WeakPolarHBondContact CG-O 3.42Å; R163-P349 PolarHBondContact NH1-O 2.87Å; Y166-P349 HydrophobicContact CD2-CG 4.06Å; Y166-P349 HydrophobicContact CE2-CG 4.38Å; K347-P349 VanDerWaalsContact O-CD 3.22Å; K347-P349 WeakPolarHBondContact O-CD 3.39Å; K347-P349 VanDerWaalsContact O-N 3.15Å
350	K	91.8	Very high	93	Very high	205 Å²	205	59 Å²	59	89%	0.891	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-77.8	145.5	163.7	-63	-178.5	-178.7	178.8	0	108.7
351	G	91	Very high	92.7	Very high	50 Å²	50	59.4 Å²	59.4	52%	0.515	31%	0.306	S	S	.	.	S	Bend	trans	161.1	-178.5	176.6	0	0	0	0	0	114.2	R163	R163-G351 WeakPolarHBondContact CD-O 3.28Å
352	E	92.1	Very high	92.5	Very high	82 Å²	82	61 Å²	61	38%	0.383	32%	0.316	S	S	.	.			trans	-61.7	154.5	167.9	-62.1	-87.5	159.1	0	0	110.5	P161 D356 K364	P161-E352 WeakPolarHBondContact CB-O 3.44Å; P161-E352 WeakPolarHBondContact CG-O 3.24Å; E352-D356 WeakPolarHBondContact CG-OD1 3.36Å; E352-K364 IonicContact OE1-NZ 3.16Å; E352-K364 PolarHBondContact OE1-NZ 3.25Å; E352-K364 IonicContact OE2-NZ 2.62Å; E352-K364 PolarHBondContact OE2-NZ 2.94Å
353	I	93.1	Very high	92.4	Very high	17 Å²	17	57.8 Å²	57.8	9%	0.087	30%	0.303	C	S	.	.	S	Bend	trans	-117.4	-14.4	-175.2	-60.7	167.8	0	0	0	111.2	R163 A164 I167 V229 D232	R163-I353 HydrophobicContact CG-CG1 4.23Å; A164-I353 HydrophobicContact CB-CG2 4.34Å; A164-I353 VanDerWaalsContact CB-O 3.24Å; A164-I353 WeakPolarHBondContact CB-O 3.42Å; I167-I353 HydrophobicContact CD1-CG2 4.48Å; V229-I353 HydrophobicContact CB-CG2 3.54Å; V229-I353 HydrophobicContact CG1-CG2 4.03Å; V229-I353 PolarHBondContact N-O 2.8Å; D232-I353 HydrophobicContact CB-CD1 3.12Å; D232-I353 WeakPolarHBondContact OD1-CD1 3.44Å; D232-I353 WeakPolarHBondContact OD2-CD1 3.39Å
354	K	92.8	Very high	92.2	Very high	49 Å²	49	61.4 Å²	61.4	21%	0.213	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-117.6	155.5	174.2	-65.9	176.7	-176.3	169.5	0	107.5	G227 V229 Y230 C361	G227-K354 WeakPolarHBondContact O-CA 3.36Å; V229-K354 WeakPolarHBondContact O-CE 3.34Å; V229-K354 VanDerWaalsContact O-CG 3.23Å; V229-K354 WeakPolarHBondContact O-CG 3.47Å; Y230-K354 WeakPolarHBondContact O-CE 3.36Å; Y230-K354 PolarHBondContact O-NZ 3.31Å; K354-C361 HydrophobicContact CB-CB 4.22Å
355	V	92.3	Very high	92.1	Very high	23 Å²	23	68.9 Å²	68.9	14%	0.139	35%	0.347	C	S	.	.			trans	-64.1	137.8	168.7	178.7	0	0	0	0	108.6	I158 E159 G227 D357 C361	I158-V355 HydrophobicContact CG2-CB 4.03Å; I158-V355 HydrophobicContact CG2-CG1 3.57Å; I158-V355 HydrophobicContact CG2-CG2 3.41Å; I158-V355 VanDerWaalsContact CG2-CG2 3.41Å; E159-V355 WeakPolarHBondContact O-CG2 3.24Å; G227-V355 WeakPolarHBondContact O-CG2 3.24Å; G227-V355 PolarHBondContact O-N 3.26Å; V355-D357 HydrophobicContact CG1-CB 4.1Å; V355-D357 PolarHBondContact O-N 3.06Å; V355-D357 VanDerWaalsContact O-N 3.08Å; V355-C361 WeakPolarHBondContact O-CB 3.06Å
356	D	91.1	Very high	92	Very high	130 Å²	130	71.7 Å²	71.7	70%	0.695	37%	0.373	S	S	*	.	S	Bend	trans	-68.7	-3.9	-176.8	-65.1	-22.4	0	0	0	113.9	E352 A358	E352-D356 WeakPolarHBondContact CG-OD1 3.36Å; D356-A358 PolarHBondContact O-N 3.36Å
357	D	91	Very high	91.9	Very high	72 Å²	72	70.1 Å²	70.1	39%	0.385	36%	0.362	S	S	.	.			trans	-81.6	101.2	179	-163	-9.9	0	0	0	111.5	V355 K359 I360 C361	V355-D357 HydrophobicContact CG1-CB 4.1Å; V355-D357 PolarHBondContact O-N 3.06Å; V355-D357 VanDerWaalsContact O-N 3.08Å; D357-K359 PolarHBondContact O-N 3.11Å; D357-K359 WeakPolarHBondContact OD1-CB 3.41Å; D357-K359 PolarHBondContact OD1-N 3.25Å; D357-I360 HydrophobicContact CB-CD1 4.02Å; D357-I360 PolarHBondContact O-N 3.04Å; D357-I360 VanDerWaalsContact O-N 3.08Å; D357-I360 WeakPolarHBondContact OD2-CD1 3.49Å; D357-C361 PolarHBondContact O-N 3.38Å
358	A	90.6	Very high	91.8	Very high	30 Å²	30	66.4 Å²	66.4	25%	0.248	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-13.1	179.7	0	0	0	0	0	114	D356 C361 H377	D356-A358 PolarHBondContact O-N 3.36Å; A358-C361 CarbonylContact C-O 3.59Å; A358-C361 WeakPolarHBondContact CA-O 3.36Å; A358-H377 HydrophobicContact CB-CB 4.35Å; A358-H377 WeakPolarHBondContact O-CB 2.89Å
359	K	90.7	Very high	91.9	Very high	137 Å²	137	72.8 Å²	72.8	60%	0.596	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-23	175.3	-67.2	177.5	-178	170.8	0	113.4	D357 L381	D357-K359 PolarHBondContact O-N 3.11Å; D357-K359 WeakPolarHBondContact OD1-CB 3.41Å; D357-K359 PolarHBondContact OD1-N 3.25Å; K359-L381 VanDerWaalsContact O-CD2 3.32Å; K359-L381 WeakPolarHBondContact O-CD2 3.24Å
360	I	90.3	Very high	92	Very high	22 Å²	22	75.8 Å²	75.8	11%	0.113	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-49.8	177.5	-63.7	111.6	0	0	0	110.1	L156 I158 D357 L381 Y386	L156-I360 HydrophobicContact CD1-CG1 4.36Å; L156-I360 HydrophobicContact CD1-CG2 4.04Å; I158-I360 HydrophobicContact CD1-CB 4.13Å; I158-I360 HydrophobicContact CD1-CD1 3.39Å; I158-I360 HydrophobicContact CD1-CG1 3.66Å; I158-I360 HydrophobicContact CD1-CG2 3.95Å; I158-I360 HydrophobicContact CG1-CD1 4.36Å; D357-I360 HydrophobicContact CB-CD1 4.02Å; D357-I360 PolarHBondContact O-N 3.04Å; D357-I360 VanDerWaalsContact O-N 3.08Å; D357-I360 WeakPolarHBondContact OD2-CD1 3.49Å; I360-L381 WeakPolarHBondContact O-CD2 3.18Å; I360-Y386 HydrophobicContact CG2-CD1 4.32Å; I360-Y386 HydrophobicContact CG2-CE1 4.5Å
361	C	91.1	Very high	92	Very high	8 Å²	8	68.3 Å²	68.3	5%	0.054	37%	0.368	C	S	.	.	S	Bend	trans	-94.1	135.3	-177.4	-72	0	0	0	0	111.3	K354 V355 D357 A358	K354-C361 HydrophobicContact CB-CB 4.22Å; V355-C361 WeakPolarHBondContact O-CB 3.06Å; D357-C361 PolarHBondContact O-N 3.38Å; A358-C361 CarbonylContact C-O 3.59Å; A358-C361 WeakPolarHBondContact CA-O 3.36Å
362	P	93	Very high	92.2	Very high	32 Å²	32	72.2 Å²	72.2	21%	0.208	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-68.2	135.4	176.4	27.5	-33.2	0	0	0	110.5	L381 F382	P362-L381 HydrophobicContact CB-CD1 4.25Å; P362-F382 HydrophobicContact CB-CE2 3.97Å; P362-F382 HydrophobicContact CB-CZ 4.34Å
363	P	92.5	Very high	92.3	Very high	20 Å²	20	75.2 Å²	75.2	13%	0.13	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-66.7	164.6	-178.8	25.9	-33.3	0	0	0	112.4	M368 A374 H378	P363-M368 HydrophobicContact CG-CB 4.39Å; P363-A374 HydrophobicContact CB-CB 3.89Å; P363-A374 HydrophobicContact CG-CB 3.72Å; P363-A374 VanDerWaalsContact CG-O 3.31Å; P363-A374 WeakPolarHBondContact CG-O 3.48Å; P363-H378 HydrophobicContact CG-CB 4.33Å
364	K	92.1	Very high	92.3	Very high	106 Å²	106	74.8 Å²	74.8	46%	0.461	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-62.8	145.8	178.6	-67.6	168.8	-175.4	150.3	0	109.7	E352 A366 E367 M368	E352-K364 IonicContact OE1-NZ 3.16Å; E352-K364 PolarHBondContact OE1-NZ 3.25Å; E352-K364 IonicContact OE2-NZ 2.62Å; E352-K364 PolarHBondContact OE2-NZ 2.94Å; K364-A366 PolarHBondContact O-N 2.9Å; K364-E367 HydrophobicContact CB-CG 4.31Å; K364-E367 PolarHBondContact N-OE2 3.5Å; K364-E367 PolarHBondContact O-N 3.04Å; K364-M368 PolarHBondContact O-N 3.5Å
365	R	92.1	Very high	92.4	Very high	157 Å²	157	76.3 Å²	76.3	59%	0.592	40%	0.398	S	S	*	.	H	α-helix	trans	-61.3	-30	-176.3	-71.5	-70	-65.5	178.2	-0.2	113.3
366	A	93.6	Very high	92.6	Very high	81 Å²	81	79 Å²	79	67%	0.669	41%	0.411	S	S	*	.	H	α-helix	trans	-69	-49	175.8	0	0	0	0	0	111.1	K364 M368 K369	K364-A366 PolarHBondContact O-N 2.9Å; A366-M368 PolarHBondContact O-N 3.16Å; A366-K369 PolarHBondContact O-N 2.93Å
367	E	91.1	Very high	92.7	Very high	87 Å²	87	75.4 Å²	75.4	41%	0.407	39%	0.39	S	S	.	.	H	α-helix	trans	-62.3	-44.5	-179.1	-68.7	164.3	-173.8	0	0	112	K364 K369 S370 S371	K364-E367 HydrophobicContact CB-CG 4.31Å; K364-E367 PolarHBondContact N-OE2 3.5Å; K364-E367 PolarHBondContact O-N 3.04Å; E367-K369 PolarHBondContact O-N 3.45Å; E367-K369 VanDerWaalsContact O-N 3.12Å; E367-S370 PolarHBondContact O-N 3.1Å; E367-S370 PolarHBondContact O-OG 3.25Å; E367-S371 PolarHBondContact O-N 3.34Å; E367-S371 PolarHBondContact O-OG 2.74Å; E367-S371 VanDerWaalsContact O-OG 3.08Å
368	M	90.8	Very high	92.9	Very high	16 Å²	16	74 Å²	74	8%	0.079	38%	0.381	C	S	.	.	H	α-helix	trans	-59.4	-25.3	179.5	179.7	-110.3	-65.5	0	0	113.9	P363 K364 A366 A374 L375 H378	P363-M368 HydrophobicContact CG-CB 4.39Å; K364-M368 PolarHBondContact O-N 3.5Å; A366-M368 PolarHBondContact O-N 3.16Å; M368-A374 HydrophobicContact CB-CB 4.36Å; M368-L375 HydrophobicContact CG-CB 4.25Å; M368-H378 VanDerWaalsContact CE-CD2 3.42Å; M368-H378 WeakPolarHBondContact CE-CD2 3.41Å; M368-H378 HydrophobicContact CG-CB 3.99Å
369	K	94.1	Very high	93.2	Very high	167 Å²	167	79 Å²	79	73%	0.726	40%	0.397	S	S	*	.	H	α-helix	trans	-82.8	-18.6	176.1	-69.5	-179.4	178.3	-174.8	0	113.3	A366 E367	A366-K369 PolarHBondContact O-N 2.93Å; E367-K369 PolarHBondContact O-N 3.45Å; E367-K369 VanDerWaalsContact O-N 3.12Å
370	S	94.4	Very high	93.4	Very high	101 Å²	101	76.4 Å²	76.4	71%	0.706	39%	0.386	S	S	*	.	H	α-helix	trans	-102.8	-37.5	-178.1	50.8	0	0	0	0	113.6	E367	E367-S370 PolarHBondContact O-N 3.1Å; E367-S370 PolarHBondContact O-OG 3.25Å
371	S	93.1	Very high	93.5	Very high	47 Å²	47	76 Å²	76	33%	0.329	38%	0.384	S	S	.	.			trans	-107.5	130	-175.1	60.1	0	0	0	0	111.7	E367 E373 A374 L375	E367-S371 PolarHBondContact O-N 3.34Å; E367-S371 PolarHBondContact O-OG 2.74Å; E367-S371 VanDerWaalsContact O-OG 3.08Å; S371-E373 VanDerWaalsContact C-N 3.34Å; S371-E373 PolarHBondContact O-N 3.06Å; S371-A374 PolarHBondContact O-N 3.2Å; S371-A374 WeakPolarHBondContact OG-CB 3.45Å; S371-L375 PolarHBondContact O-N 3.09Å
372	M	94.4	Very high	93.7	Very high	133 Å²	133	81.5 Å²	81.5	66%	0.655	41%	0.407	S	S	*	.	H	α-helix	trans	-63.1	-40.1	180	-176.1	62.9	-179	0	0	111.8	A374 L375 I376	M372-A374 PolarHBondContact O-N 2.94Å; M372-L375 WeakPolarHBondContact O-CB 3.41Å; M372-L375 PolarHBondContact O-N 3.23Å; M372-I376 HydrophobicContact CE-CD1 4.1Å; M372-I376 HydrophobicContact CE-CG1 4.12Å; M372-I376 HydrophobicContact CG-CD1 4Å; M372-I376 HydrophobicContact CG-CG1 4.47Å; M372-I376 WeakPolarHBondContact O-CG1 3.48Å; M372-I376 PolarHBondContact O-N 3.04Å
373	E	93.7	Very high	93.7	Very high	144 Å²	144	82.9 Å²	82.9	67%	0.673	42%	0.418	S	S	*	.	H	α-helix	trans	-61.3	-45.7	179.3	-65.3	176.9	170.2	0	0	112	S371 L375 I376 H377	S371-E373 VanDerWaalsContact C-N 3.34Å; S371-E373 PolarHBondContact O-N 3.06Å; E373-L375 VanDerWaalsContact C-N 3.28Å; E373-L375 PolarHBondContact O-N 3.21Å; E373-I376 PolarHBondContact O-N 3.08Å; E373-H377 PolarHBondContact O-CD2 2.89Å; E373-H377 PolarHBondContact O-N 2.62Å
374	A	93.4	Very high	93.7	Very high	9 Å²	9	86.5 Å²	86.5	7%	0.074	43%	0.433	C	S	.	.	H	α-helix	trans	-62.3	-36.9	176.6	0	0	0	0	0	111.8	P363 M368 S371 M372 H378	P363-A374 HydrophobicContact CB-CB 3.89Å; P363-A374 HydrophobicContact CG-CB 3.72Å; P363-A374 VanDerWaalsContact CG-O 3.31Å; P363-A374 WeakPolarHBondContact CG-O 3.48Å; M368-A374 HydrophobicContact CB-CB 4.36Å; S371-A374 PolarHBondContact O-N 3.2Å; S371-A374 WeakPolarHBondContact OG-CB 3.45Å; M372-A374 PolarHBondContact O-N 2.94Å; A374-H378 VanDerWaalsContact O-CB 3.25Å; A374-H378 WeakPolarHBondContact O-CB 3.09Å; A374-H378 PolarHBondContact O-N 3.12Å
375	L	95.2	Very high	93.7	Very high	80 Å²	80	82.1 Å²	82.1	42%	0.419	42%	0.417	S	S	.	.	H	α-helix	trans	-65.9	-42.7	174.3	-170.7	148.3	0	0	0	112	M368 S371 M372 E373 H378 F379	M368-L375 HydrophobicContact CG-CB 4.25Å; S371-L375 PolarHBondContact O-N 3.09Å; M372-L375 WeakPolarHBondContact O-CB 3.41Å; M372-L375 PolarHBondContact O-N 3.23Å; E373-L375 VanDerWaalsContact C-N 3.28Å; E373-L375 PolarHBondContact O-N 3.21Å; L375-H378 PolarHBondContact O-N 2.95Å; L375-F379 WeakPolarHBondContact O-CB 3.4Å; L375-F379 PolarHBondContact O-N 3.48Å
376	I	95.5	Very high	93.8	Very high	80 Å²	80	75.2 Å²	75.2	41%	0.41	39%	0.392	S	S	.	.	H	α-helix	trans	-61.1	-48.6	175.8	-67.5	165.3	0	0	0	110.2	M372 E373 F379 K380	M372-I376 HydrophobicContact CE-CD1 4.1Å; M372-I376 HydrophobicContact CE-CG1 4.12Å; M372-I376 HydrophobicContact CG-CD1 4Å; M372-I376 HydrophobicContact CG-CG1 4.47Å; M372-I376 WeakPolarHBondContact O-CG1 3.48Å; M372-I376 PolarHBondContact O-N 3.04Å; E373-I376 PolarHBondContact O-N 3.08Å; I376-F379 WeakPolarHBondContact O-CB 3.32Å; I376-F379 PolarHBondContact O-N 2.73Å; I376-K380 HydrophobicContact CG2-CG 4.45Å; I376-K380 WeakPolarHBondContact O-CG 3.09Å; I376-K380 PolarHBondContact O-N 3.08Å
377	H	94.7	Very high	93.8	Very high	54 Å²	54	77.2 Å²	77.2	25%	0.25	39%	0.39	C	S	.	.	H	α-helix	trans	-61.7	-45.7	178.7	-72.8	-52.8	0	0	0	112.2	A358 E373 F379 K380 L381	A358-H377 HydrophobicContact CB-CB 4.35Å; A358-H377 WeakPolarHBondContact O-CB 2.89Å; E373-H377 PolarHBondContact O-CD2 2.89Å; E373-H377 PolarHBondContact O-N 2.62Å; H377-F379 VanDerWaalsContact C-N 3.34Å; H377-F379 PolarHBondContact O-N 2.76Å; H377-K380 PolarHBondContact O-N 2.82Å; H377-L381 WeakPolarHBondContact O-CB 3.47Å; H377-L381 WeakPolarHBondContact O-CG 3.35Å; H377-L381 PolarHBondContact O-N 3.24Å
378	H	95.2	Very high	94	Very high	44 Å²	44	73.1 Å²	73.1	20%	0.204	37%	0.371	C	S	.	.	H	α-helix	trans	-56.9	-47.5	173	177	-76.9	0	0	0	111.2	P363 M368 A374 L375 K380 L381 F382	P363-H378 HydrophobicContact CG-CB 4.33Å; M368-H378 VanDerWaalsContact CE-CD2 3.42Å; M368-H378 WeakPolarHBondContact CE-CD2 3.41Å; M368-H378 HydrophobicContact CG-CB 3.99Å; A374-H378 VanDerWaalsContact O-CB 3.25Å; A374-H378 WeakPolarHBondContact O-CB 3.09Å; A374-H378 PolarHBondContact O-N 3.12Å; L375-H378 PolarHBondContact O-N 2.95Å; H378-K380 PolarHBondContact O-N 3.3Å; H378-L381 PolarHBondContact O-N 3.21Å; H378-F382 AromaticContact CD2-CD2 3.7Å; H378-F382 AromaticContact CD2-CE2 3.46Å; H378-F382 VanDerWaalsContact CD2-CE2 3.46Å; H378-F382 WeakPolarHBondContact CD2-CE2 3.23Å; H378-F382 AromaticContact CE1-CD2 3.54Å; H378-F382 AromaticContact CE1-CE2 3.88Å; H378-F382 AromaticContact CG-CD2 3.89Å; H378-F382 AromaticContact ND1-CD2 3.8Å; H378-F382 AromaticContact NE2-CD2 3.51Å; H378-F382 AromaticContact NE2-CE2 3.34Å; H378-F382 VanDerWaalsContact NE2-CE2 3.34Å; H378-F382 WeakPolarHBondContact NE2-CE2 3.27Å; H378-F382 VanDerWaalsContact O-CD2 3.27Å; H378-F382 WeakPolarHBondContact O-CD2 3.3Å; H378-F382 PolarHBondContact O-N 2.96Å; H378-F382 VanDerWaalsContact O-N 3.14Å
379	F	95.8	Very high	94.2	Very high	133 Å²	133	75.4 Å²	75.4	58%	0.583	39%	0.387	S	S	*	.	H	α-helix	trans	-59.2	-47.1	179.1	-177.6	-93.5	0	0	0	111.8	L375 I376 H377 S383	L375-F379 WeakPolarHBondContact O-CB 3.4Å; L375-F379 PolarHBondContact O-N 3.48Å; I376-F379 WeakPolarHBondContact O-CB 3.32Å; I376-F379 PolarHBondContact O-N 2.73Å; H377-F379 VanDerWaalsContact C-N 3.34Å; H377-F379 PolarHBondContact O-N 2.76Å; F379-S383 VanDerWaalsContact O-CB 3.31Å; F379-S383 WeakPolarHBondContact O-CB 3.43Å; F379-S383 PolarHBondContact O-N 3.18Å; F379-S383 PolarHBondContact O-OG 2.99Å
380	K	95	Very high	94.3	Very high	84 Å²	84	72.2 Å²	72.2	37%	0.365	38%	0.383	S	S	.	.	H	α-helix	trans	-65.4	-43.9	179.4	-68.3	-69.4	-63.7	-170.5	0	112.4	I376 H377 H378 F382 S383 E384 G385	I376-K380 HydrophobicContact CG2-CG 4.45Å; I376-K380 WeakPolarHBondContact O-CG 3.09Å; I376-K380 PolarHBondContact O-N 3.08Å; H377-K380 PolarHBondContact O-N 2.82Å; H378-K380 PolarHBondContact O-N 3.3Å; K380-F382 PolarHBondContact O-N 3.03Å; K380-S383 PolarHBondContact O-N 2.86Å; K380-S383 PolarHBondContact O-OG 3.48Å; K380-E384 VanDerWaalsContact CE-OE2 3.23Å; K380-E384 WeakPolarHBondContact CE-OE2 3.38Å; K380-E384 IonicContact NZ-OE1 2.64Å; K380-E384 PolarHBondContact NZ-OE1 2.84Å; K380-E384 IonicContact NZ-OE2 3.8Å; K380-E384 PolarHBondContact NZ-OE2 2.81Å; K380-E384 PolarHBondContact O-N 3.33Å; K380-G385 PolarHBondContact O-N 3.24Å
381	L	93.8	Very high	94.3	Very high	14 Å²	14	68.8 Å²	68.8	7%	0.073	36%	0.364	C	S	.	.	H	α-helix	trans	-63	-37.5	179.7	-78	175.2	0	0	0	113.5	K359 I360 P362 H377 H378 G385 Y386	K359-L381 VanDerWaalsContact O-CD2 3.32Å; K359-L381 WeakPolarHBondContact O-CD2 3.24Å; I360-L381 WeakPolarHBondContact O-CD2 3.18Å; P362-L381 HydrophobicContact CB-CD1 4.25Å; H377-L381 WeakPolarHBondContact O-CB 3.47Å; H377-L381 WeakPolarHBondContact O-CG 3.35Å; H377-L381 PolarHBondContact O-N 3.24Å; H378-L381 PolarHBondContact O-N 3.21Å; L381-G385 VanDerWaalsContact O-CA 3.27Å; L381-G385 WeakPolarHBondContact O-CA 3.4Å; L381-G385 PolarHBondContact O-N 3.1Å; L381-Y386 HydrophobicContact CD2-CD1 3.94Å; L381-Y386 HydrophobicContact CD2-CG 4.49Å
382	F	94.2	Very high	94.4	Very high	122 Å²	122	70 Å²	70	54%	0.535	37%	0.373	S	S	.	.	H	α-helix	trans	-88.5	-18	-179.1	-75.9	-73.1	0	0	0	114.2	P362 H378 K380	P362-F382 HydrophobicContact CB-CE2 3.97Å; P362-F382 HydrophobicContact CB-CZ 4.34Å; H378-F382 AromaticContact CD2-CD2 3.7Å; H378-F382 AromaticContact CD2-CE2 3.46Å; H378-F382 VanDerWaalsContact CD2-CE2 3.46Å; H378-F382 WeakPolarHBondContact CD2-CE2 3.23Å; H378-F382 AromaticContact CE1-CD2 3.54Å; H378-F382 AromaticContact CE1-CE2 3.88Å; H378-F382 AromaticContact CG-CD2 3.89Å; H378-F382 AromaticContact ND1-CD2 3.8Å; H378-F382 AromaticContact NE2-CD2 3.51Å; H378-F382 AromaticContact NE2-CE2 3.34Å; H378-F382 VanDerWaalsContact NE2-CE2 3.34Å; H378-F382 WeakPolarHBondContact NE2-CE2 3.27Å; H378-F382 VanDerWaalsContact O-CD2 3.27Å; H378-F382 WeakPolarHBondContact O-CD2 3.3Å; H378-F382 PolarHBondContact O-N 2.96Å; H378-F382 VanDerWaalsContact O-N 3.14Å; K380-F382 PolarHBondContact O-N 3.03Å
383	S	93.7	Very high	94.5	Very high	61 Å²	61	64.9 Å²	64.9	43%	0.427	35%	0.349	S	S	.	.	H	α-helix	trans	-93.1	-60.5	175.5	55.5	0	0	0	0	112.1	F379 K380	F379-S383 VanDerWaalsContact O-CB 3.31Å; F379-S383 WeakPolarHBondContact O-CB 3.43Å; F379-S383 PolarHBondContact O-N 3.18Å; F379-S383 PolarHBondContact O-OG 2.99Å; K380-S383 PolarHBondContact O-N 2.86Å; K380-S383 PolarHBondContact O-OG 3.48Å
384	E	92.7	Very high	94.7	Very high	97 Å²	97	63.3 Å²	63.3	45%	0.453	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-38.4	-178.6	-71.7	174.3	-150.7	0	0	112.1	T125 K380 N414	T125-E384 WeakPolarHBondContact CG2-O 3.37Å; K380-E384 VanDerWaalsContact CE-OE2 3.23Å; K380-E384 WeakPolarHBondContact CE-OE2 3.38Å; K380-E384 IonicContact NZ-OE1 2.64Å; K380-E384 PolarHBondContact NZ-OE1 2.84Å; K380-E384 IonicContact NZ-OE2 3.8Å; K380-E384 PolarHBondContact NZ-OE2 2.81Å; K380-E384 PolarHBondContact O-N 3.33Å; E384-N414 WeakPolarHBondContact O-CB 3.47Å; E384-N414 PolarHBondContact O-ND2 3.01Å
385	G	92.4	Very high	94.7	Very high	13 Å²	13	63 Å²	63	13%	0.134	34%	0.335	C	S	.	.			trans	90	178.7	-168.3	0	0	0	0	0	112.8	K380 L381	K380-G385 PolarHBondContact O-N 3.24Å; L381-G385 VanDerWaalsContact O-CA 3.27Å; L381-G385 WeakPolarHBondContact O-CA 3.4Å; L381-G385 PolarHBondContact O-N 3.1Å
386	Y	93.7	Very high	94.8	Very high	13 Å²	13	60 Å²	60	5%	0.051	32%	0.322	C	S	.	.			trans	-86.4	149.9	174.4	53.9	-98.6	0	0	0	110.9	Y126 T127 V152 L156 P226 I360 L381 V388	Y126-Y386 VanDerWaalsContact CB-OH 3.3Å; Y126-Y386 WeakPolarHBondContact CB-OH 3.13Å; Y126-Y386 HydrophobicContact CD2-CE2 4.12Å; Y126-Y386 HydrophobicContact CG-CE2 4.08Å; T127-Y386 HydrophobicContact CG2-CD1 4.23Å; T127-Y386 HydrophobicContact CG2-CE1 3.5Å; V152-Y386 HydrophobicContact CG1-CE2 3.95Å; L156-Y386 HydrophobicContact CD1-CD2 4.12Å; L156-Y386 HydrophobicContact CD1-CE2 3.9Å; L156-Y386 HydrophobicContact CD2-CD2 4.38Å; P226-Y386 WeakPolarHBondContact CB-OH 3.29Å; P226-Y386 WeakPolarHBondContact CG-OH 3.36Å; I360-Y386 HydrophobicContact CG2-CD1 4.32Å; I360-Y386 HydrophobicContact CG2-CE1 4.5Å; L381-Y386 HydrophobicContact CD2-CD1 3.94Å; L381-Y386 HydrophobicContact CD2-CG 4.49Å; Y386-V388 HydrophobicContact CD2-CG2 3.82Å; Y386-V388 HydrophobicContact CE2-CG2 3.69Å
387	L	94.1	Very high	94.7	Very high	123 Å²	123	56.3 Å²	56.3	64%	0.644	30%	0.303	S	S	*	.			trans	-86.1	135.1	173.9	-62	167.8	0	0	0	108.8	N414	L387-N414 HydrophobicContact CD2-CB 4.29Å
388	V	94.3	Very high	94.7	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	29%	0.292	C	S	.	.			trans	-105.1	129.7	175.1	178.2	0	0	0	0	108.1	Y126 L155 L156 Y386 G412 T413	Y126-V388 HydrophobicContact CD1-CG2 4.22Å; Y126-V388 HydrophobicContact CD2-CB 4.47Å; Y126-V388 HydrophobicContact CD2-CG2 3.56Å; Y126-V388 HydrophobicContact CE1-CB 4.45Å; Y126-V388 HydrophobicContact CE1-CG2 3.99Å; Y126-V388 HydrophobicContact CE2-CB 3.73Å; Y126-V388 HydrophobicContact CE2-CG2 3.3Å; Y126-V388 HydrophobicContact CG-CG2 4.04Å; L155-V388 HydrophobicContact CB-CG1 3.46Å; L155-V388 VanDerWaalsContact CB-CG1 3.46Å; L155-V388 HydrophobicContact CD1-CG1 3.97Å; L155-V388 HydrophobicContact CG-CG1 4.28Å; L156-V388 HydrophobicContact CD2-CB 4.37Å; L156-V388 HydrophobicContact CD2-CG1 4.45Å; L156-V388 HydrophobicContact CD2-CG2 3.98Å; L156-V388 HydrophobicContact CG-CG2 4.27Å; Y386-V388 HydrophobicContact CD2-CG2 3.82Å; Y386-V388 HydrophobicContact CE2-CG2 3.69Å; V388-G412 CarbonylContact O-C 3.52Å; V388-G412 WeakPolarHBondContact O-CA 3.42Å; V388-T413 PolarHBondContact N-O 3.05Å
389	P	95.1	Very high	94.7	Very high	64 Å²	64	51.9 Å²	51.9	42%	0.416	28%	0.283	S	S	.	.			trans	-53	144.6	177.3	-25.9	33.5	0	0	0	112.1	G391 S410	P389-G391 PolarHBondContact O-N 3.15Å; P389-S410 PolarHBondContact O-OG 3.46Å
390	P	95.7	Very high	94.7	Very high	99 Å²	99	45.6 Å²	45.6	64%	0.643	26%	0.255	S	S	*	.	S	Bend	trans	-62.7	131.3	179.2	26.9	-33.9	0	0	0	110.9	S410	P390-S410 WeakPolarHBondContact CA-O 3.43Å
391	G	95.3	Very high	94.6	Very high	30 Å²	30	41.9 Å²	41.9	31%	0.309	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	169.8	167.4	-174.5	0	0	0	0	0	112.9	P389 S410	P389-G391 PolarHBondContact O-N 3.15Å; G391-S410 PolarHBondContact N-O 3.34Å; G391-S410 PolarHBondContact N-OG 3.02Å; G391-S410 PolarHBondContact O-N 2.9Å; G391-S410 PolarHBondContact O-OG 3.49Å
392	S	95.5	Very high	94.6	Very high	73 Å²	73	41.3 Å²	41.3	51%	0.51	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.7	175	64.6	0	0	0	0	110.9	L408	S392-L408 CarbonylContact C-O 3.57Å; S392-L408 VanDerWaalsContact CA-O 3.24Å; S392-L408 WeakPolarHBondContact CA-O 3.45Å
393	T	96	Very high	94.7	Very high	25 Å²	25	37.1 Å²	37.1	15%	0.153	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	144.3	175.3	50.8	0	0	0	0	110.8	A151 K154 L155 Y407 L408	A151-T393 PolarHBondContact O-OG1 2.91Å; K154-T393 HydrophobicContact CB-CG2 4.25Å; L155-T393 HydrophobicContact CD2-CG2 3.47Å; L155-T393 VanDerWaalsContact CD2-CG2 3.47Å; L155-T393 HydrophobicContact CG-CG2 3.73Å; L155-T393 WeakPolarHBondContact CG-OG1 3.49Å; T393-Y407 CarbonylContact O-C 3.51Å; T393-Y407 VanDerWaalsContact O-CA 3.3Å; T393-Y407 WeakPolarHBondContact O-CA 3.47Å; T393-Y407 WeakPolarHBondContact O-CD2 3.42Å; T393-L408 PolarHBondContact N-O 2.67Å; T393-L408 PolarHBondContact O-N 3.21Å
394	Y	96.8	Very high	94.8	Very high	110 Å²	110	34.2 Å²	34.2	43%	0.431	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118.5	162.2	178.5	-103.7	0	0	0	107.4	A396 E403 V406 K422	Y394-A396 HydrophobicContact CE1-CB 4.07Å; Y394-E403 PolarHBondContact OH-OE1 2.77Å; Y394-V406 WeakPolarHBondContact CA-O 3.35Å; Y394-K422 WeakPolarHBondContact OH-CD 3.42Å
395	T	95.2	Very high	94.9	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.9	175.2	55.7	0	0	0	0	109.7	C147 A151 K154 G405 V406	C147-T395 PolarHBondContact SG-O 3.38Å; A151-T395 WeakPolarHBondContact CA-OG1 3.37Å; A151-T395 HydrophobicContact CB-CG2 4.2Å; A151-T395 WeakPolarHBondContact CB-OG1 3.34Å; K154-T395 HydrophobicContact CD-CG2 3.5Å; K154-T395 VanDerWaalsContact CD-CG2 3.5Å; K154-T395 HydrophobicContact CG-CG2 4.38Å; T395-G405 CarbonylContact O-C 3.57Å; T395-G405 WeakPolarHBondContact O-CA 3.46Å; T395-V406 PolarHBondContact N-O 3.48Å; T395-V406 PolarHBondContact O-N 3.45Å
396	A	95.6	Very high	95.1	Very high	19 Å²	19	29 Å²	29	16%	0.157	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.5	177.5	0	0	0	0	0	109.7	L299 Y394 E403 F404	L299-A396 HydrophobicContact CD1-CB 4.17Å; Y394-A396 HydrophobicContact CE1-CB 4.07Å; A396-E403 HydrophobicContact CB-CG 3.67Å; A396-E403 WeakPolarHBondContact CB-OE1 3.27Å; A396-F404 WeakPolarHBondContact CA-O 3.45Å
397	V	94.9	Very high	95.3	Very high	1 Å²	1	33 Å²	33	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148	175.3	166.8	0	0	0	0	107.5	C147 L150 Y305 A399 F404	C147-V397 HydrophobicContact CB-CB 3.92Å; C147-V397 HydrophobicContact CB-CG2 3.71Å; L150-V397 HydrophobicContact CD1-CG2 3.69Å; Y305-V397 HydrophobicContact CD2-CG2 4.44Å; Y305-V397 HydrophobicContact CE1-CB 4.41Å; Y305-V397 HydrophobicContact CE1-CG1 4.34Å; Y305-V397 HydrophobicContact CE1-CG2 4.4Å; Y305-V397 HydrophobicContact CE2-CB 4.42Å; Y305-V397 HydrophobicContact CE2-CG1 3.73Å; Y305-V397 HydrophobicContact CE2-CG2 4.18Å; Y305-V397 VanDerWaalsContact OH-CG1 3.28Å; Y305-V397 WeakPolarHBondContact OH-CG1 3.32Å; V397-A399 VanDerWaalsContact C-N 3.28Å; V397-A399 PolarHBondContact O-N 2.81Å; V397-F404 PolarHBondContact N-O 3.33Å; V397-F404 PolarHBondContact O-N 3.02Å
398	E	94.8	Very high	95.4	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.019	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	82.2	170.7	-161.9	171.8	154.3	0	0	110.1	R176 R291 D298 L299 R300 Y305	R176-E398 PolarHBondContact NH1-O 3.36Å; R176-E398 PolarHBondContact NH2-O 3.27Å; R291-E398 IonicContact CZ-OE1 3.68Å; R291-E398 IonicContact NH1-OE1 3.2Å; R291-E398 PolarHBondContact NH1-OE1 2.9Å; R291-E398 IonicContact NH2-OE1 2.76Å; R291-E398 PolarHBondContact NH2-OE1 3.49Å; D298-E398 VanDerWaalsContact OD2-OE1 3.13Å; L299-E398 HydrophobicContact CB-CB 4.15Å; L299-E398 PolarHBondContact N-OE2 3.29Å; R300-E398 HydrophobicContact CG-CB 3.89Å; R300-E398 VanDerWaalsContact CG-OE2 3.29Å; R300-E398 WeakPolarHBondContact CG-OE2 3.39Å; R300-E398 IonicContact CZ-OE1 3.51Å; R300-E398 PolarHBondContact N-OE2 2.86Å; R300-E398 IonicContact NE-OE1 3.53Å; R300-E398 PolarHBondContact NE-OE1 3.18Å; R300-E398 IonicContact NE-OE2 3.18Å; R300-E398 PolarHBondContact NE-OE2 3.3Å; R300-E398 VanDerWaalsContact NE-OE2 3.11Å; R300-E398 IonicContact NH2-OE1 3.22Å; R300-E398 PolarHBondContact NH2-OE1 2.84Å; R300-E398 VanDerWaalsContact NH2-OE1 3.12Å; Y305-E398 WeakPolarHBondContact OH-CB 3.32Å; Y305-E398 PolarHBondContact OH-N 3.16Å
399	A	94.6	Very high	95.5	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.017	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	157.5	165.1	0	0	0	0	0	109.5	C143 V397 K401 G402 F404	C143-A399 HydrophobicContact CB-CB 4.48Å; V397-A399 VanDerWaalsContact C-N 3.28Å; V397-A399 PolarHBondContact O-N 2.81Å; A399-K401 PolarHBondContact O-N 3.3Å; A399-G402 CarbonylContact C-O 3.25Å; A399-G402 WeakPolarHBondContact CA-O 3.44Å; A399-G402 WeakPolarHBondContact CB-O 3.33Å; A399-G402 PolarHBondContact N-O 3.48Å; A399-G402 PolarHBondContact O-N 2.84Å; A399-G402 VanDerWaalsContact O-O 3.06Å; A399-F404 HydrophobicContact CB-CB 3.65Å
400	P	94.4	Very high	95.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-25.8	-178.4	-27.4	38.5	0	0	0	113.9	R176 N179 H180	R176-P400 HydrophobicContact CB-CG 4.04Å; R176-P400 HydrophobicContact CG-CB 4.11Å; R176-P400 HydrophobicContact CG-CG 4.12Å; N179-P400 HydrophobicContact CB-CB 3.63Å; N179-P400 HydrophobicContact CB-CG 3.96Å; N179-P400 WeakPolarHBondContact ND2-CB 3.43Å; H180-P400 PolarHBondContact CE1-O 3.32Å
401	K	94.5	Very high	95.5	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.026	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-20.7	177.3	-70.8	173.6	175.9	148.5	0	114.2	D137 N179 A399 P424 D452 V454	D137-K401 IonicContact OD1-NZ 2.74Å; D137-K401 PolarHBondContact OD1-NZ 3.44Å; D137-K401 WeakPolarHBondContact OD2-CD 3.43Å; D137-K401 IonicContact OD2-NZ 3.1Å; D137-K401 PolarHBondContact OD2-NZ 3.08Å; N179-K401 VanDerWaalsContact OD1-CE 3.24Å; N179-K401 WeakPolarHBondContact OD1-CE 3.5Å; N179-K401 PolarHBondContact OD1-NZ 3.21Å; A399-K401 PolarHBondContact O-N 3.3Å; K401-P424 HydrophobicContact CB-CG 3.9Å; K401-D452 WeakPolarHBondContact CD-O 3.37Å; K401-D452 WeakPolarHBondContact CE-O 3.3Å; K401-D452 WeakPolarHBondContact CE-OD1 3.45Å; K401-D452 HydrophobicContact CG-CB 4.38Å; K401-D452 WeakPolarHBondContact CG-O 3.28Å; K401-V454 VanDerWaalsContact NZ-CB 3.31Å
402	G	93.8	Very high	95.3	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.6	-156.1	-175.1	0	0	0	0	0	112.9	A399 F404	A399-G402 CarbonylContact C-O 3.25Å; A399-G402 WeakPolarHBondContact CA-O 3.44Å; A399-G402 WeakPolarHBondContact CB-O 3.33Å; A399-G402 PolarHBondContact N-O 3.48Å; A399-G402 PolarHBondContact O-N 2.84Å; A399-G402 VanDerWaalsContact O-O 3.06Å; G402-F404 PolarHBondContact O-N 3.5Å; G402-F404 VanDerWaalsContact O-N 3.09Å
403	E	95	Very high	95.2	Very high	35 Å²	35	23.8 Å²	23.8	16%	0.164	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	101.8	-179.1	-176.7	-174.3	150.3	0	0	110.3	S286 L299 Y394 A396 K422	S286-E403 PolarHBondContact OG-N 3.11Å; L299-E403 HydrophobicContact CD1-CB 4.03Å; L299-E403 HydrophobicContact CD1-CG 3.67Å; Y394-E403 PolarHBondContact OH-OE1 2.77Å; A396-E403 HydrophobicContact CB-CG 3.67Å; A396-E403 WeakPolarHBondContact CB-OE1 3.27Å; E403-K422 IonicContact OE1-NZ 2.69Å; E403-K422 PolarHBondContact OE1-NZ 2.85Å; E403-K422 IonicContact OE2-NZ 2.73Å; E403-K422 PolarHBondContact OE2-NZ 2.87Å
404	F	96.3	Very high	95.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.8	168.2	-175.3	-99.9	0	0	0	108.8	F133 L136 N144 C147 A396 V397 A399 G402 V406 I421	F133-F404 HydrophobicContact CD1-CE1 4.14Å; F133-F404 HydrophobicContact CD1-CZ 4.02Å; F133-F404 HydrophobicContact CE1-CE1 4.43Å; F133-F404 HydrophobicContact CE1-CZ 4.33Å; L136-F404 HydrophobicContact CD1-CE2 4.33Å; L136-F404 HydrophobicContact CD1-CZ 3.9Å; N144-F404 HydrophobicContact CB-CE1 4.26Å; N144-F404 HydrophobicContact CB-CZ 4.39Å; C147-F404 HydrophobicContact CB-CD1 3.56Å; C147-F404 HydrophobicContact CB-CE1 3.91Å; C147-F404 PolarHBondContact SG-O 3.04Å; A396-F404 WeakPolarHBondContact CA-O 3.45Å; V397-F404 PolarHBondContact N-O 3.33Å; V397-F404 PolarHBondContact O-N 3.02Å; A399-F404 HydrophobicContact CB-CB 3.65Å; G402-F404 PolarHBondContact O-N 3.5Å; G402-F404 VanDerWaalsContact O-N 3.09Å; F404-V406 HydrophobicContact CD1-CG2 4.31Å; F404-V406 HydrophobicContact CE1-CG2 3.64Å; F404-V406 HydrophobicContact CZ-CG2 4.28Å; F404-I421 HydrophobicContact CE1-CG2 4.41Å; F404-I421 HydrophobicContact CE2-CG2 3.52Å; F404-I421 HydrophobicContact CZ-CG2 3.44Å; F404-I421 VanDerWaalsContact CZ-CG2 3.44Å
405	G	95.6	Very high	95	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.6	-172.7	0	0	0	0	0	112.1	T395 K422	T395-G405 CarbonylContact O-C 3.57Å; T395-G405 WeakPolarHBondContact O-CA 3.46Å; G405-K422 PolarHBondContact N-O 3.32Å; G405-K422 VanDerWaalsContact N-O 3.1Å; G405-K422 PolarHBondContact O-N 3.17Å
406	V	96.7	Very high	95	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	116.9	177	174.3	0	0	0	0	108.7	F133 C147 A151 Y394 T395 F404 L408	F133-V406 HydrophobicContact CD1-CG2 4.44Å; F133-V406 HydrophobicContact CE1-CG1 4.43Å; F133-V406 HydrophobicContact CE1-CG2 3.65Å; F133-V406 HydrophobicContact CZ-CG1 4.36Å; F133-V406 HydrophobicContact CZ-CG2 4.36Å; C147-V406 HydrophobicContact CB-CG2 4.45Å; A151-V406 HydrophobicContact CB-CB 4.34Å; A151-V406 HydrophobicContact CB-CG1 4.02Å; Y394-V406 WeakPolarHBondContact CA-O 3.35Å; T395-V406 PolarHBondContact N-O 3.48Å; T395-V406 PolarHBondContact O-N 3.45Å; F404-V406 HydrophobicContact CD1-CG2 4.31Å; F404-V406 HydrophobicContact CE1-CG2 3.64Å; F404-V406 HydrophobicContact CZ-CG2 4.28Å; V406-L408 HydrophobicContact CG1-CD1 4.06Å; V406-L408 HydrophobicContact CG1-CD2 4.39Å; V406-L408 HydrophobicContact CG1-CG 3.71Å
407	Y	97.6	Very high	95.1	Very high	98 Å²	98	29.6 Å²	29.6	38%	0.384	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	104.2	171.2	-179.9	-110.4	0	0	0	109.4	T393 V409 C419 K420	T393-Y407 CarbonylContact O-C 3.51Å; T393-Y407 VanDerWaalsContact O-CA 3.3Å; T393-Y407 WeakPolarHBondContact O-CA 3.47Å; T393-Y407 WeakPolarHBondContact O-CD2 3.42Å; Y407-V409 HydrophobicContact CD1-CG2 4.21Å; Y407-V409 HydrophobicContact CE1-CG2 3.49Å; Y407-V409 VanDerWaalsContact CE1-CG2 3.49Å; Y407-C419 CarbonylContact O-C 3.58Å; Y407-C419 WeakPolarHBondContact O-CA 3.27Å; Y407-K420 HydrophobicContact CD1-CB 4.14Å; Y407-K420 PolarHBondContact N-O 2.96Å; Y407-K420 PolarHBondContact O-N 2.87Å
408	L	96.2	Very high	95.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135.6	178.1	-77.3	171.2	0	0	0	110.6	Y148 A151 V152 L155 S392 T393 V406 P416 C419	Y148-L408 HydrophobicContact CD2-CD1 4.16Å; Y148-L408 HydrophobicContact CE2-CD1 3.88Å; Y148-L408 HydrophobicContact CE2-CD2 4.22Å; A151-L408 HydrophobicContact CB-CD1 3.52Å; A151-L408 HydrophobicContact CB-CG 4.39Å; V152-L408 HydrophobicContact CG2-CD1 3.84Å; L155-L408 HydrophobicContact CD1-CB 4.01Å; L155-L408 HydrophobicContact CD1-CD1 4.48Å; S392-L408 CarbonylContact C-O 3.57Å; S392-L408 VanDerWaalsContact CA-O 3.24Å; S392-L408 WeakPolarHBondContact CA-O 3.45Å; T393-L408 PolarHBondContact N-O 2.67Å; T393-L408 PolarHBondContact O-N 3.21Å; V406-L408 HydrophobicContact CG1-CD1 4.06Å; V406-L408 HydrophobicContact CG1-CD2 4.39Å; V406-L408 HydrophobicContact CG1-CG 3.71Å; L408-P416 HydrophobicContact CD2-CB 4.17Å; L408-C419 HydrophobicContact CD2-CB 3.63Å; L408-C419 VanDerWaalsContact CD2-SG 3.5Å
409	V	97	Very high	95.1	Very high	32 Å²	32	33 Å²	33	19%	0.194	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.9	169.4	-175.7	0	0	0	0	108	Y407 Y417 R418	Y407-V409 HydrophobicContact CD1-CG2 4.21Å; Y407-V409 HydrophobicContact CE1-CG2 3.49Å; Y407-V409 VanDerWaalsContact CE1-CG2 3.49Å; V409-Y417 HydrophobicContact CB-CD1 4.49Å; V409-Y417 HydrophobicContact CG1-CD1 4.08Å; V409-Y417 PolarHBondContact O-N 3.05Å; V409-R418 HydrophobicContact CB-CB 4.07Å; V409-R418 HydrophobicContact CG2-CB 4.2Å; V409-R418 PolarHBondContact N-O 2.73Å; V409-R418 PolarHBondContact O-N 3.18Å
410	S	94.8	Very high	95.2	Very high	6 Å²	6	36.3 Å²	36.3	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.9	180	56.9	0	0	0	0	109.7	Y126 P389 P390 G391	Y126-S410 VanDerWaalsContact OH-CB 3.24Å; Y126-S410 WeakPolarHBondContact OH-CB 3.3Å; P389-S410 PolarHBondContact O-OG 3.46Å; P390-S410 WeakPolarHBondContact CA-O 3.43Å; G391-S410 PolarHBondContact N-O 3.34Å; G391-S410 PolarHBondContact N-OG 3.02Å; G391-S410 PolarHBondContact O-N 2.9Å; G391-S410 PolarHBondContact O-OG 3.49Å
411	D	94	Very high	95.3	Very high	78 Å²	78	36.4 Å²	36.4	42%	0.417	17%	0.174	S	C	.	.			trans	-107.8	10.9	-177.8	61	-8.9	0	0	0	112.6	T413	D411-T413 VanDerWaalsContact C-N 3.34Å; D411-T413 VanDerWaalsContact OD1-CB 3.26Å; D411-T413 WeakPolarHBondContact OD1-CB 3.47Å; D411-T413 WeakPolarHBondContact OD1-CG2 3.44Å; D411-T413 PolarHBondContact OD1-N 3.23Å; D411-T413 PolarHBondContact OD1-OG1 3.25Å
412	G	91.9	Very high	95.4	Very high	27 Å²	27	39.5 Å²	39.5	28%	0.278	19%	0.187	S	C	.	.	S	Bend	trans	90.1	-5.9	-172.8	0	0	0	0	0	114	V388	V388-G412 CarbonylContact O-C 3.52Å; V388-G412 WeakPolarHBondContact O-CA 3.42Å
413	T	93.6	Very high	95.4	Very high	53 Å²	53	39.7 Å²	39.7	33%	0.325	19%	0.188	S	C	.	.	S	Bend	trans	-88.5	178.1	179	75.4	0	0	0	0	112.2	V388 D411 K415	V388-T413 PolarHBondContact N-O 3.05Å; D411-T413 VanDerWaalsContact C-N 3.34Å; D411-T413 VanDerWaalsContact OD1-CB 3.26Å; D411-T413 WeakPolarHBondContact OD1-CB 3.47Å; D411-T413 WeakPolarHBondContact OD1-CG2 3.44Å; D411-T413 PolarHBondContact OD1-N 3.23Å; D411-T413 PolarHBondContact OD1-OG1 3.25Å; T413-K415 PolarHBondContact OG1-N 2.9Å; T413-K415 PolarHBondContact OG1-O 3.21Å
414	N	93.6	Very high	95.4	Very high	39 Å²	39	38 Å²	38	21%	0.209	18%	0.181	C	C	.	.	S	Bend	trans	-80	-2.9	175	59	-17.4	0	0	0	113.6	T125 Y126 E384 L387	T125-N414 VanDerWaalsContact CA-O 3.28Å; T125-N414 WeakPolarHBondContact CA-O 3.47Å; Y126-N414 WeakPolarHBondContact CD2-O 3.45Å; Y126-N414 VanDerWaalsContact CE2-C 3.48Å; Y126-N414 WeakPolarHBondContact CE2-O 3.34Å; Y126-N414 PolarHBondContact N-O 3.18Å; E384-N414 WeakPolarHBondContact O-CB 3.47Å; E384-N414 PolarHBondContact O-ND2 3.01Å; L387-N414 HydrophobicContact CD2-CB 4.29Å
415	K	94.8	Very high	95.2	Very high	84 Å²	84	38.1 Å²	38.1	37%	0.365	18%	0.181	S	C	.	.	S	Bend	trans	-117.6	141.5	179.4	-59.7	-177.5	-176.6	-170.8	0	109.2	Y123 Y126 T413 Y417	Y123-K415 PolarHBondContact O-NZ 2.98Å; Y123-K415 VanDerWaalsContact O-NZ 3.17Å; Y126-K415 PolarHBondContact OH-O 3.09Å; T413-K415 PolarHBondContact OG1-N 2.9Å; T413-K415 PolarHBondContact OG1-O 3.21Å; K415-Y417 PolarHBondContact O-N 3.49Å
416	P	95.7	Very high	95.1	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	130.2	172.9	29	-31.7	0	0	0	109.5	I121 E122 K124 Y126 L408 R418	I121-P416 HydrophobicContact CG2-CG 3.53Å; E122-P416 WeakPolarHBondContact CA-O 3.46Å; K124-P416 VanDerWaalsContact O-CD 3.29Å; K124-P416 WeakPolarHBondContact O-CD 3.43Å; Y126-P416 HydrophobicContact CE1-CB 3.83Å; Y126-P416 HydrophobicContact CE1-CG 4.42Å; L408-P416 HydrophobicContact CD2-CB 4.17Å; P416-R418 VanDerWaalsContact C-N 3.32Å
417	Y	96.3	Very high	95	Very high	153 Å²	153	43.5 Å²	43.5	60%	0.6	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	-40.8	175.4	178.7	-96.8	0	0	0	111.2	E122 V409 K415	E122-Y417 WeakPolarHBondContact CG-O 3.25Å; V409-Y417 HydrophobicContact CB-CD1 4.49Å; V409-Y417 HydrophobicContact CG1-CD1 4.08Å; V409-Y417 PolarHBondContact O-N 3.05Å; K415-Y417 PolarHBondContact O-N 3.49Å
418	R	95.8	Very high	94.8	Very high	78 Å²	78	38.9 Å²	38.9	29%	0.294	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	136.6	175.4	-172.1	69	175.3	93.2	3.1	109.9	E118 E122 V409 P416	E118-R418 IonicContact OE2-CZ 3.8Å; E118-R418 VanDerWaalsContact OE2-CZ 3.24Å; E118-R418 IonicContact OE2-NH1 2.78Å; E118-R418 PolarHBondContact OE2-NH1 2.81Å; E118-R418 IonicContact OE2-NH2 3.14Å; E118-R418 PolarHBondContact OE2-NH2 3.08Å; E122-R418 WeakPolarHBondContact OE1-CD 3.25Å; E122-R418 IonicContact OE1-NE 2.64Å; V409-R418 HydrophobicContact CB-CB 4.07Å; V409-R418 HydrophobicContact CG2-CB 4.2Å; V409-R418 PolarHBondContact N-O 2.73Å; V409-R418 PolarHBondContact O-N 3.18Å; P416-R418 VanDerWaalsContact C-N 3.32Å
419	C	95.8	Very high	94.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	100.5	170.7	-177.7	0	0	0	0	109.1	E118 I121 Y407 L408	E118-C419 WeakPolarHBondContact CB-O 3.27Å; E118-C419 WeakPolarHBondContact CG-O 3.25Å; I121-C419 HydrophobicContact CB-CB 4.45Å; I121-C419 HydrophobicContact CG2-CB 3.65Å; Y407-C419 CarbonylContact O-C 3.58Å; Y407-C419 WeakPolarHBondContact O-CA 3.27Å; L408-C419 HydrophobicContact CD2-CB 3.63Å; L408-C419 VanDerWaalsContact CD2-SG 3.5Å
420	K	96.8	Very high	94.5	Very high	71 Å²	71	41.1 Å²	41.1	31%	0.309	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.9	173	177.1	80.7	-162.1	80.4	0	108.6	E118 Y407	E118-K420 WeakPolarHBondContact OE1-CD 3.47Å; E118-K420 IonicContact OE1-NZ 2.92Å; E118-K420 PolarHBondContact OE1-NZ 2.9Å; Y407-K420 HydrophobicContact CD1-CB 4.14Å; Y407-K420 PolarHBondContact N-O 2.96Å; Y407-K420 PolarHBondContact O-N 2.87Å
421	I	96.4	Very high	94.3	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.6	-178.4	-50.2	-179.7	0	0	0	109	E118 I121 F133 L136 F404	E118-I421 PolarHBondContact OE1-N 3.37Å; E118-I421 VanDerWaalsContact OE1-N 3.1Å; I121-I421 HydrophobicContact CD1-CD1 4.26Å; F133-I421 HydrophobicContact CD1-CD1 4.4Å; F133-I421 HydrophobicContact CE1-CD1 3.7Å; F133-I421 HydrophobicContact CE1-CG1 4.21Å; F133-I421 HydrophobicContact CZ-CD1 4.07Å; L136-I421 HydrophobicContact CD1-CD1 3.44Å; L136-I421 VanDerWaalsContact CD1-CD1 3.44Å; L136-I421 HydrophobicContact CD1-CG2 4.11Å; L136-I421 HydrophobicContact CD2-CD1 4.27Å; L136-I421 HydrophobicContact CG-CD1 4.48Å; F404-I421 HydrophobicContact CE1-CG2 4.41Å; F404-I421 HydrophobicContact CE2-CG2 3.52Å; F404-I421 HydrophobicContact CZ-CG2 3.44Å; F404-I421 VanDerWaalsContact CZ-CG2 3.44Å
422	K	95.4	Very high	94.2	Very high	71 Å²	71	37.1 Å²	37.1	31%	0.309	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	114.7	169.2	176.4	-167.8	169.5	173.1	0	107.7	Y394 E403 G405	Y394-K422 WeakPolarHBondContact OH-CD 3.42Å; E403-K422 IonicContact OE1-NZ 2.69Å; E403-K422 PolarHBondContact OE1-NZ 2.85Å; E403-K422 IonicContact OE2-NZ 2.73Å; E403-K422 PolarHBondContact OE2-NZ 2.87Å; G405-K422 PolarHBondContact N-O 3.32Å; G405-K422 VanDerWaalsContact N-O 3.1Å; G405-K422 PolarHBondContact O-N 3.17Å
423	A	94	Very high	94.3	Very high	5 Å²	5	37.1 Å²	37.1	4%	0.041	18%	0.184	C	C	.	.			trans	-97	129.4	171.1	0	0	0	0	0	109.4	G425 F426 E457	A423-G425 VanDerWaalsContact C-N 3.3Å; A423-G425 PolarHBondContact O-N 3.46Å; A423-F426 HydrophobicContact CB-CB 4.39Å; A423-F426 WeakPolarHBondContact O-CB 3.48Å; A423-F426 PolarHBondContact O-N 3.43Å; A423-E457 HydrophobicContact CB-CB 3.83Å; A423-E457 HydrophobicContact CB-CG 4.12Å; A423-E457 WeakPolarHBondContact CB-O 3.4Å
424	P	94.1	Very high	94.2	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-60.9	-40.3	177.3	24.8	-33.2	0	0	0	111.4	K401 F426 A427 H428 E457	K401-P424 HydrophobicContact CB-CG 3.9Å; P424-F426 PolarHBondContact O-N 2.95Å; P424-A427 PolarHBondContact O-N 3.16Å; P424-H428 PolarHBondContact O-CD2 3.25Å; P424-H428 PolarHBondContact O-N 3.36Å; P424-E457 WeakPolarHBondContact CD-OE2 3.16Å
425	G	92.6	Very high	94	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-58.9	-22.6	178.1	0	0	0	0	0	114.7	A423 H428 M429 E457	A423-G425 VanDerWaalsContact C-N 3.3Å; A423-G425 PolarHBondContact O-N 3.46Å; G425-H428 PolarHBondContact O-N 2.95Å; G425-M429 WeakPolarHBondContact O-CB 3.29Å; G425-M429 WeakPolarHBondContact O-CG 3.17Å; G425-M429 PolarHBondContact O-N 2.88Å; G425-E457 WeakPolarHBondContact CA-OE1 3.46Å; G425-E457 PolarHBondContact N-OE1 3.33Å
426	F	94.6	Very high	93.9	Very high	91 Å²	91	34.2 Å²	34.2	40%	0.399	17%	0.165	S	C	.	.	H	α-helix	trans	-67.8	-43.2	178.4	-173.5	-92.9	0	0	0	111.9	I110 A423 P424 A430 V458	I110-F426 HydrophobicContact CD1-CD2 4.1Å; I110-F426 HydrophobicContact CD1-CE2 3.61Å; A423-F426 HydrophobicContact CB-CB 4.39Å; A423-F426 WeakPolarHBondContact O-CB 3.48Å; A423-F426 PolarHBondContact O-N 3.43Å; P424-F426 PolarHBondContact O-N 2.95Å; F426-A430 PolarHBondContact O-N 3.24Å; F426-A430 VanDerWaalsContact O-N 3.14Å; F426-V458 HydrophobicContact CD2-CG1 4.04Å
427	A	94.5	Very high	93.6	Very high	23 Å²	23	41 Å²	41	19%	0.19	19%	0.191	C	C	.	.	H	α-helix	trans	-68.9	-40.4	175.9	0	0	0	0	0	111.1	P424 M429 A430 A431	P424-A427 PolarHBondContact O-N 3.16Å; A427-M429 PolarHBondContact O-N 3.08Å; A427-A430 PolarHBondContact O-N 3.31Å; A427-A431 PolarHBondContact O-N 2.87Å
428	H	93.8	Very high	93.3	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-60	-45.3	176.2	-60.5	-33	0	0	0	112.5	F285 M289 P424 G425 A430 A431 L451	F285-H428 AromaticContact CD1-CE1 3.91Å; F285-H428 AromaticContact CD1-ND1 3.28Å; F285-H428 VanDerWaalsContact CD1-ND1 3.28Å; F285-H428 WeakPolarHBondContact CD1-ND1 3.28Å; F285-H428 AromaticContact CE1-ND1 3.68Å; F285-H428 AromaticContact CG-ND1 3.73Å; M289-H428 VanDerWaalsContact CG-CE1 3.46Å; M289-H428 WeakPolarHBondContact CG-CE1 3.31Å; P424-H428 PolarHBondContact O-CD2 3.25Å; P424-H428 PolarHBondContact O-N 3.36Å; G425-H428 PolarHBondContact O-N 2.95Å; H428-A430 PolarHBondContact O-N 2.93Å; H428-A431 PolarHBondContact O-N 3.12Å; H428-L451 HydrophobicContact CB-CB 4.42Å; H428-L451 HydrophobicContact CB-CD2 4.19Å
429	M	92.2	Very high	93.2	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.02	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-36.1	176.7	-81.1	-59.2	-56.9	0	0	113.3	L92 P108 G425 A427 A431 I432 I453 F455 V458	L92-M429 HydrophobicContact CD1-CE 3.51Å; L92-M429 HydrophobicContact CD2-CE 4.3Å; P108-M429 HydrophobicContact CB-CE 3.59Å; P108-M429 HydrophobicContact CG-CE 4.4Å; G425-M429 WeakPolarHBondContact O-CB 3.29Å; G425-M429 WeakPolarHBondContact O-CG 3.17Å; G425-M429 PolarHBondContact O-N 2.88Å; A427-M429 PolarHBondContact O-N 3.08Å; M429-A431 PolarHBondContact O-N 3.48Å; M429-I432 HydrophobicContact CE-CD1 4.23Å; M429-I432 WeakPolarHBondContact O-CB 3.1Å; M429-I432 VanDerWaalsContact O-CG2 3.23Å; M429-I432 WeakPolarHBondContact O-CG2 3.31Å; M429-I432 PolarHBondContact O-N 3.23Å; M429-I432 HydrophobicContact SD-CD1 4.3Å; M429-I453 HydrophobicContact CG-CD1 3.92Å; M429-I453 HydrophobicContact CG-CG1 4.12Å; M429-I453 HydrophobicContact CG-CG2 3.91Å; M429-I453 HydrophobicContact SD-CD1 3.24Å; M429-I453 WeakPolarHBondContact SD-CD1 3.21Å; M429-I453 HydrophobicContact SD-CG1 4.07Å; M429-I453 HydrophobicContact SD-CG2 4.19Å; M429-F455 HydrophobicContact CE-CE1 4.24Å; M429-F455 HydrophobicContact CG-CE1 4.4Å; M429-F455 HydrophobicContact SD-CE1 4.15Å; M429-F455 HydrophobicContact SD-CZ 4.32Å; M429-V458 HydrophobicContact CG-CG2 4.49Å
430	A	93	Very high	93.1	Very high	74 Å²	74	39.2 Å²	39.2	61%	0.612	21%	0.207	S	C	*	.	H	α-helix	trans	-61.7	-27.8	178	0	0	0	0	0	112.5	F426 A427 H428	F426-A430 PolarHBondContact O-N 3.24Å; F426-A430 VanDerWaalsContact O-N 3.14Å; A427-A430 PolarHBondContact O-N 3.31Å; H428-A430 PolarHBondContact O-N 2.93Å
431	A	91.7	Very high	92.9	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.008	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-7.3	-178.9	0	0	0	0	0	114.7	L283 F285 A427 H428 M429 D433 K434 L435	L283-A431 HydrophobicContact CD1-CB 3.63Å; L283-A431 HydrophobicContact CD2-CB 4.19Å; L283-A431 HydrophobicContact CG-CB 4.36Å; F285-A431 HydrophobicContact CE1-CB 3.39Å; F285-A431 HydrophobicContact CZ-CB 3.26Å; A427-A431 PolarHBondContact O-N 2.87Å; H428-A431 PolarHBondContact O-N 3.12Å; M429-A431 PolarHBondContact O-N 3.48Å; A431-D433 PolarHBondContact O-N 3.15Å; A431-D433 VanDerWaalsContact O-N 3.08Å; A431-K434 PolarHBondContact O-N 3.26Å; A431-L435 WeakPolarHBondContact O-CG 3.35Å; A431-L435 PolarHBondContact O-N 3.31Å; A431-L435 VanDerWaalsContact O-N 3.09Å
432	I	92.3	Very high	92.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-54.8	-36.6	-170.4	-161.7	167.2	0	0	0	113.1	L94 L106 P108 M429 L435 C436 I448	L94-I432 HydrophobicContact CD1-CD1 3.83Å; L94-I432 HydrophobicContact CD1-CG2 4.45Å; L106-I432 HydrophobicContact CD1-CG1 4.44Å; P108-I432 HydrophobicContact CB-CG2 4.19Å; P108-I432 HydrophobicContact CG-CG2 3.77Å; M429-I432 HydrophobicContact CE-CD1 4.23Å; M429-I432 WeakPolarHBondContact O-CB 3.1Å; M429-I432 VanDerWaalsContact O-CG2 3.23Å; M429-I432 WeakPolarHBondContact O-CG2 3.31Å; M429-I432 PolarHBondContact O-N 3.23Å; M429-I432 HydrophobicContact SD-CD1 4.3Å; I432-L435 PolarHBondContact O-N 3.06Å; I432-C436 VanDerWaalsContact O-CB 3.31Å; I432-C436 WeakPolarHBondContact O-CB 3.37Å; I432-C436 PolarHBondContact O-N 3.06Å; I432-C436 PolarHBondContact O-SG 2.96Å; I432-I448 HydrophobicContact CD1-CD1 4.27Å; I432-I448 HydrophobicContact CD1-CG1 3.69Å
433	D	92.8	Very high	92.7	Very high	27 Å²	27	38.1 Å²	38.1	14%	0.144	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-47.1	176.8	-176.4	39.5	0	0	0	111.6	R105 L106 A431 L435 C436 R437	R105-D433 WeakPolarHBondContact CA-OD1 3.32Å; L106-D433 HydrophobicContact CB-CB 4.32Å; L106-D433 PolarHBondContact N-OD1 3.31Å; L106-D433 WeakPolarHBondContact O-CB 3.34Å; A431-D433 PolarHBondContact O-N 3.15Å; A431-D433 VanDerWaalsContact O-N 3.08Å; D433-L435 VanDerWaalsContact C-N 3.28Å; D433-L435 PolarHBondContact O-N 3.25Å; D433-C436 PolarHBondContact O-N 3.19Å; D433-R437 WeakPolarHBondContact O-CD 3.47Å; D433-R437 WeakPolarHBondContact O-CG 3.13Å; D433-R437 PolarHBondContact O-N 3.08Å; D433-R437 VanDerWaalsContact O-N 3.15Å; D433-R437 IonicContact OD1-NE 3.24Å; D433-R437 PolarHBondContact OD1-NE 3.47Å; D433-R437 IonicContact OD2-CZ 3.21Å; D433-R437 IonicContact OD2-NE 2.89Å; D433-R437 PolarHBondContact OD2-NE 3.38Å; D433-R437 IonicContact OD2-NH2 3.57Å; D433-R437 PolarHBondContact OD2-NH2 3.5Å
434	K	91.2	Very high	92.6	Very high	103 Å²	103	38 Å²	38	45%	0.448	21%	0.209	S	C	.	.	H	α-helix	trans	-62.5	-36.9	177.1	-172.6	174.7	176.3	176.5	0	111.8	D279 L283 A431	D279-K434 IonicContact OD1-NZ 3.02Å; D279-K434 PolarHBondContact OD1-NZ 3.49Å; D279-K434 IonicContact OD2-NZ 3.79Å; D279-K434 PolarHBondContact OD2-NZ 3.47Å; L283-K434 HydrophobicContact CD1-CD 4.26Å; A431-K434 PolarHBondContact O-N 3.26Å
435	L	91	Very high	92.6	Very high	10 Å²	10	38.7 Å²	38.7	5%	0.052	21%	0.213	C	C	.	.	H	α-helix	trans	-71.9	-33.1	-179.3	-60.1	-173.6	0	0	0	113.7	V275 F285 A431 I432 D433 F439 V447 L451	V275-L435 HydrophobicContact CB-CD2 4.48Å; V275-L435 HydrophobicContact CG2-CD1 4.49Å; V275-L435 HydrophobicContact CG2-CD2 3.15Å; V275-L435 HydrophobicContact CG2-CG 4.44Å; F285-L435 HydrophobicContact CZ-CD1 4.32Å; A431-L435 WeakPolarHBondContact O-CG 3.35Å; A431-L435 PolarHBondContact O-N 3.31Å; A431-L435 VanDerWaalsContact O-N 3.09Å; I432-L435 PolarHBondContact O-N 3.06Å; D433-L435 VanDerWaalsContact C-N 3.28Å; D433-L435 PolarHBondContact O-N 3.25Å; L435-F439 VanDerWaalsContact O-CD2 3.32Å; L435-F439 WeakPolarHBondContact O-CD2 3.44Å; L435-F439 VanDerWaalsContact O-CE2 3.24Å; L435-F439 WeakPolarHBondContact O-CE2 3.21Å; L435-V447 HydrophobicContact CB-CG1 4.2Å; L435-V447 HydrophobicContact CD1-CG1 4.04Å; L435-L451 HydrophobicContact CD1-CD1 4.38Å; L435-L451 HydrophobicContact CD1-CD2 3.92Å
436	C	91.2	Very high	92.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.007	21%	0.214	C	C	.	.	H	α-helix	trans	-104.5	-7.6	-168.3	-61.9	0	0	0	0	114.2	L106 I432 D433 G438 F439 V444	L106-C436 HydrophobicContact CD1-CB 3.33Å; L106-C436 HydrophobicContact CG-CB 4.34Å; I432-C436 VanDerWaalsContact O-CB 3.31Å; I432-C436 WeakPolarHBondContact O-CB 3.37Å; I432-C436 PolarHBondContact O-N 3.06Å; I432-C436 PolarHBondContact O-SG 2.96Å; D433-C436 PolarHBondContact O-N 3.19Å; C436-G438 PolarHBondContact O-N 3.23Å; C436-F439 WeakPolarHBondContact O-CB 3.45Å; C436-F439 PolarHBondContact O-N 2.89Å; C436-F439 VanDerWaalsContact O-N 3.13Å; C436-V444 HydrophobicContact CB-CG2 3.93Å
437	R	90.5	Very high	92.6	Very high	144 Å²	144	34.5 Å²	34.5	54%	0.543	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	126.4	177.8	-86.2	164.7	-175.5	-152.6	6.2	111.3	D433 F439	D433-R437 WeakPolarHBondContact O-CD 3.47Å; D433-R437 WeakPolarHBondContact O-CG 3.13Å; D433-R437 PolarHBondContact O-N 3.08Å; D433-R437 VanDerWaalsContact O-N 3.15Å; D433-R437 IonicContact OD1-NE 3.24Å; D433-R437 PolarHBondContact OD1-NE 3.47Å; D433-R437 IonicContact OD2-CZ 3.21Å; D433-R437 IonicContact OD2-NE 2.89Å; D433-R437 PolarHBondContact OD2-NE 3.38Å; D433-R437 IonicContact OD2-NH2 3.57Å; D433-R437 PolarHBondContact OD2-NH2 3.5Å; R437-F439 VanDerWaalsContact C-N 3.28Å; R437-F439 PolarHBondContact O-N 3.32Å
438	G	90.7	Very high	92.6	Very high	57 Å²	57	33.4 Å²	33.4	59%	0.588	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.4	-10.6	179.6	0	0	0	0	0	115.3	I103 C436	I103-G438 PolarHBondContact O-N 2.85Å; C436-G438 PolarHBondContact O-N 3.23Å
439	F	92.8	Very high	92.4	Very high	55 Å²	55	33.4 Å²	33.4	24%	0.241	19%	0.187	C	C	.	.	S	Bend	trans	-80.3	168.9	173.3	-71.7	-78.3	0	0	0	111.9	I103 L435 C436 R437 D443	I103-F439 PolarHBondContact N-O 2.84Å; L435-F439 VanDerWaalsContact O-CD2 3.32Å; L435-F439 WeakPolarHBondContact O-CD2 3.44Å; L435-F439 VanDerWaalsContact O-CE2 3.24Å; L435-F439 WeakPolarHBondContact O-CE2 3.21Å; C436-F439 WeakPolarHBondContact O-CB 3.45Å; C436-F439 PolarHBondContact O-N 2.89Å; C436-F439 VanDerWaalsContact O-N 3.13Å; R437-F439 VanDerWaalsContact C-N 3.28Å; R437-F439 PolarHBondContact O-N 3.32Å; F439-D443 HydrophobicContact CB-CB 3.99Å; F439-D443 HydrophobicContact CD1-CB 4.21Å; F439-D443 HydrophobicContact CG-CB 4.38Å
440	M	93.8	Very high	92.4	Very high	82 Å²	82	33.5 Å²	33.5	40%	0.404	19%	0.188	S	C	.	.	B	Isolated β-bridge	trans	-88.6	160.7	174.4	-55.3	-170.5	-44.5	0	0	110.8	P442 D443	M440-P442 VanDerWaalsContact C-CD 3.46Å; M440-D443 PolarHBondContact N-OD2 2.79Å; M440-D443 WeakPolarHBondContact O-CB 3.24Å; M440-D443 PolarHBondContact O-N 2.8Å
441	L	92.8	Very high	92.3	Very high	53 Å²	53	30 Å²	30	28%	0.277	16%	0.159	S	C	.	.	H	α-helix	trans	-49.5	-44.9	178.3	-173.2	161.3	0	0	0	114.3	M96 E101 D443 V444	M96-L441 HydrophobicContact CE-CD1 3.69Å; M96-L441 HydrophobicContact CE-CG 4.11Å; E101-L441 PolarHBondContact O-N 3.04Å; L441-D443 PolarHBondContact O-N 2.92Å; L441-V444 WeakPolarHBondContact O-CB 3.34Å; L441-V444 PolarHBondContact O-N 3.36Å
442	P	93	Very high	92.3	Very high	50 Å²	50	30.6 Å²	30.6	33%	0.325	16%	0.161	S	C	.	.	H	α-helix	trans	-62.6	-25.2	179.3	-24.8	36.5	0	0	0	114.1	R268 M440 A446	R268-P442 VanDerWaalsContact NH2-C 3.25Å; R268-P442 PolarHBondContact NH2-O 3.5Å; M440-P442 VanDerWaalsContact C-CD 3.46Å; P442-A446 PolarHBondContact O-N 3.43Å
443	D	93.9	Very high	92.2	Very high	17 Å²	17	31 Å²	31	9%	0.091	16%	0.163	C	C	.	.	H	α-helix	trans	-78.6	-30.5	-177.7	-56.2	-25.3	0	0	0	110.7	R268 V272 F439 M440 L441 V445 A446 V447	R268-D443 IonicContact CZ-OD1 3.26Å; R268-D443 IonicContact NH1-OD1 3.08Å; R268-D443 PolarHBondContact NH1-OD1 3.2Å; R268-D443 IonicContact NH2-OD1 3.55Å; V272-D443 HydrophobicContact CG1-CB 3.92Å; F439-D443 HydrophobicContact CB-CB 3.99Å; F439-D443 HydrophobicContact CD1-CB 4.21Å; F439-D443 HydrophobicContact CG-CB 4.38Å; M440-D443 PolarHBondContact N-OD2 2.79Å; M440-D443 WeakPolarHBondContact O-CB 3.24Å; M440-D443 PolarHBondContact O-N 2.8Å; L441-D443 PolarHBondContact O-N 2.92Å; D443-V445 VanDerWaalsContact C-N 3.26Å; D443-V445 PolarHBondContact O-N 2.87Å; D443-A446 WeakPolarHBondContact O-CB 3.47Å; D443-A446 PolarHBondContact O-N 3.21Å; D443-V447 WeakPolarHBondContact O-CG2 3.24Å; D443-V447 PolarHBondContact O-N 3.17Å
444	V	93	Very high	92.2	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.018	16%	0.158	C	C	.	.	H	α-helix	trans	-59.4	-41.2	171.5	-177.7	0	0	0	0	111.3	I103 L106 C436 L441 A446 V447 I448	I103-V444 HydrophobicContact CD1-CB 4.4Å; I103-V444 HydrophobicContact CD1-CG2 3.01Å; I103-V444 HydrophobicContact CG1-CG2 4.42Å; L106-V444 HydrophobicContact CD1-CG1 4.1Å; L106-V444 HydrophobicContact CD1-CG2 4.2Å; C436-V444 HydrophobicContact CB-CG2 3.93Å; L441-V444 WeakPolarHBondContact O-CB 3.34Å; L441-V444 PolarHBondContact O-N 3.36Å; V444-A446 VanDerWaalsContact C-N 3.3Å; V444-A446 PolarHBondContact O-N 3.46Å; V444-V447 PolarHBondContact O-N 3.24Å; V444-I448 HydrophobicContact CG1-CD1 3.82Å; V444-I448 HydrophobicContact CG1-CG1 4.21Å; V444-I448 VanDerWaalsContact O-CG1 3.31Å; V444-I448 WeakPolarHBondContact O-CG1 3.5Å; V444-I448 PolarHBondContact O-N 2.62Å
445	V	93.4	Very high	92.2	Very high	15 Å²	15	25.3 Å²	25.3	9%	0.091	14%	0.138	C	C	.	.	H	α-helix	trans	-60.9	-43.1	178.1	173.8	0	0	0	0	110.5	F81 A87 D190 D443 G449	F81-V445 HydrophobicContact CE2-CG2 4.46Å; F81-V445 HydrophobicContact CZ-CG2 3.98Å; A87-V445 HydrophobicContact CB-CG1 3.67Å; A87-V445 HydrophobicContact CB-CG2 4.21Å; D190-V445 HydrophobicContact CB-CG1 3.76Å; D443-V445 VanDerWaalsContact C-N 3.26Å; D443-V445 PolarHBondContact O-N 2.87Å; V445-G449 PolarHBondContact O-N 3.14Å; V445-G449 VanDerWaalsContact O-N 3.17Å
446	A	93.6	Very high	92.2	Very high	3 Å²	3	24.9 Å²	24.9	3%	0.025	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-45.1	174.1	0	0	0	0	0	111.7	I191 P442 D443 V444 I448 G449 T450	I191-A446 HydrophobicContact CD1-CB 4.01Å; I191-A446 HydrophobicContact CG1-CB 4.16Å; P442-A446 PolarHBondContact O-N 3.43Å; D443-A446 WeakPolarHBondContact O-CB 3.47Å; D443-A446 PolarHBondContact O-N 3.21Å; V444-A446 VanDerWaalsContact C-N 3.3Å; V444-A446 PolarHBondContact O-N 3.46Å; A446-I448 PolarHBondContact O-N 3.44Å; A446-G449 PolarHBondContact O-N 2.91Å; A446-T450 WeakPolarHBondContact O-CG2 3.31Å; A446-T450 PolarHBondContact O-N 3.41Å
447	V	93.9	Very high	92.3	Very high	1 Å²	1	25 Å²	25	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-59.8	-48.6	177.9	174.6	0	0	0	0	111	V272 L435 D443 V444 G449 T450 L451	V272-V447 HydrophobicContact CG1-CG2 3.86Å; L435-V447 HydrophobicContact CB-CG1 4.2Å; L435-V447 HydrophobicContact CD1-CG1 4.04Å; D443-V447 WeakPolarHBondContact O-CG2 3.24Å; D443-V447 PolarHBondContact O-N 3.17Å; V444-V447 PolarHBondContact O-N 3.24Å; V447-G449 VanDerWaalsContact C-N 3.31Å; V447-G449 PolarHBondContact O-N 2.9Å; V447-T450 PolarHBondContact O-N 3.46Å; V447-T450 PolarHBondContact O-OG1 2.71Å; V447-L451 HydrophobicContact CG1-CD1 4.24Å; V447-L451 HydrophobicContact CG1-CG 4.28Å; V447-L451 WeakPolarHBondContact O-CG 3.35Å; V447-L451 PolarHBondContact O-N 3.17Å
448	I	93.3	Very high	92.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-54.1	-48.9	177.8	-71.3	169	0	0	0	110.6	F81 L92 I432 V444 A446 T450 L451	F81-I448 HydrophobicContact CE1-CD1 4.38Å; L92-I448 HydrophobicContact CD2-CD1 4.11Å; I432-I448 HydrophobicContact CD1-CD1 4.27Å; I432-I448 HydrophobicContact CD1-CG1 3.69Å; V444-I448 HydrophobicContact CG1-CD1 3.82Å; V444-I448 HydrophobicContact CG1-CG1 4.21Å; V444-I448 VanDerWaalsContact O-CG1 3.31Å; V444-I448 WeakPolarHBondContact O-CG1 3.5Å; V444-I448 PolarHBondContact O-N 2.62Å; A446-I448 PolarHBondContact O-N 3.44Å; I448-T450 VanDerWaalsContact C-N 3.31Å; I448-T450 PolarHBondContact O-N 3.07Å; I448-L451 PolarHBondContact O-N 3.42Å
449	G	90.9	Very high	92.5	Very high	2 Å²	2	15.7 Å²	15.7	2%	0.021	8%	0.084	C	C	.	.	H	α-helix	trans	-59.6	-42.6	176.7	0	0	0	0	0	111.9	T187 V445 A446 V447 L451 D452	T187-G449 WeakPolarHBondContact CG2-O 3.45Å; V445-G449 PolarHBondContact O-N 3.14Å; V445-G449 VanDerWaalsContact O-N 3.17Å; A446-G449 PolarHBondContact O-N 2.91Å; V447-G449 VanDerWaalsContact C-N 3.31Å; V447-G449 PolarHBondContact O-N 2.9Å; G449-L451 VanDerWaalsContact C-N 3.29Å; G449-L451 PolarHBondContact O-N 2.69Å; G449-D452 PolarHBondContact O-N 3.44Å; G449-D452 VanDerWaalsContact O-N 3.16Å
450	T	91.6	Very high	92.4	Very high	6 Å²	6	14.9 Å²	14.9	4%	0.037	8%	0.08	C	C	.	.	H	α-helix	trans	-73.1	-17.6	-177.3	71.2	0	0	0	0	114.7	C323 R326 R330 A446 V447 I448	C323-T450 HydrophobicContact CB-CG2 3.4Å; C323-T450 VanDerWaalsContact CB-CG2 3.4Å; C323-T450 VanDerWaalsContact SG-CG2 3.51Å; C323-T450 PolarHBondContact SG-OG1 3.48Å; R326-T450 PolarHBondContact NH1-OG1 3.44Å; R330-T450 PolarHBondContact NH1-O 3.32Å; R330-T450 PolarHBondContact NH2-O 2.92Å; A446-T450 WeakPolarHBondContact O-CG2 3.31Å; A446-T450 PolarHBondContact O-N 3.41Å; V447-T450 PolarHBondContact O-N 3.46Å; V447-T450 PolarHBondContact O-OG1 2.71Å; I448-T450 VanDerWaalsContact C-N 3.31Å; I448-T450 PolarHBondContact O-N 3.07Å
451	L	91.5	Very high	92.3	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-13.9	173.1	-67.8	179.6	0	0	0	112	M289 H428 L435 V447 I448 G449 I453	M289-L451 HydrophobicContact CE-CD2 3.24Å; M289-L451 HydrophobicContact CG-CD2 4.46Å; M289-L451 HydrophobicContact SD-CD2 3.57Å; M289-L451 VanDerWaalsContact SD-CD2 3.57Å; H428-L451 HydrophobicContact CB-CB 4.42Å; H428-L451 HydrophobicContact CB-CD2 4.19Å; L435-L451 HydrophobicContact CD1-CD1 4.38Å; L435-L451 HydrophobicContact CD1-CD2 3.92Å; V447-L451 HydrophobicContact CG1-CD1 4.24Å; V447-L451 HydrophobicContact CG1-CG 4.28Å; V447-L451 WeakPolarHBondContact O-CG 3.35Å; V447-L451 PolarHBondContact O-N 3.17Å; I448-L451 PolarHBondContact O-N 3.42Å; G449-L451 VanDerWaalsContact C-N 3.29Å; G449-L451 PolarHBondContact O-N 2.69Å; L451-I453 HydrophobicContact CB-CD1 3.42Å; L451-I453 VanDerWaalsContact CB-CD1 3.42Å; L451-I453 HydrophobicContact CB-CG1 3.65Å; L451-I453 HydrophobicContact CD1-CD1 3.71Å; L451-I453 HydrophobicContact CG-CD1 4.19Å; L451-I453 PolarHBondContact O-N 3.46Å
452	D	90.8	Very high	92.3	Very high	12 Å²	12	9.4 Å²	9.4	6%	0.064	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	54.7	-179.7	-169.9	9.6	0	0	0	112.3	N179 A183 K401 G449	N179-D452 PolarHBondContact ND2-OD2 3.17Å; A183-D452 HydrophobicContact CB-CB 4.26Å; K401-D452 WeakPolarHBondContact CD-O 3.37Å; K401-D452 WeakPolarHBondContact CE-O 3.3Å; K401-D452 WeakPolarHBondContact CE-OD1 3.45Å; K401-D452 HydrophobicContact CG-CB 4.38Å; K401-D452 WeakPolarHBondContact CG-O 3.28Å; G449-D452 PolarHBondContact O-N 3.44Å; G449-D452 VanDerWaalsContact O-N 3.16Å
453	I	90.9	Very high	92.2	Very high	8 Å²	8	7.1 Å²	7.1	4%	0.041	4%	0.037	C	C	.	.			trans	-89.8	130.3	-174.2	-60.2	144.7	0	0	0	110.2	M429 L451 F455 V458	M429-I453 HydrophobicContact CG-CD1 3.92Å; M429-I453 HydrophobicContact CG-CG1 4.12Å; M429-I453 HydrophobicContact CG-CG2 3.91Å; M429-I453 HydrophobicContact SD-CD1 3.24Å; M429-I453 WeakPolarHBondContact SD-CD1 3.21Å; M429-I453 HydrophobicContact SD-CG1 4.07Å; M429-I453 HydrophobicContact SD-CG2 4.19Å; L451-I453 HydrophobicContact CB-CD1 3.42Å; L451-I453 VanDerWaalsContact CB-CD1 3.42Å; L451-I453 HydrophobicContact CB-CG1 3.65Å; L451-I453 HydrophobicContact CD1-CD1 3.71Å; L451-I453 HydrophobicContact CG-CD1 4.19Å; L451-I453 PolarHBondContact O-N 3.46Å; I453-F455 HydrophobicContact CG2-CD1 4.19Å; I453-F455 HydrophobicContact CG2-CE1 3.84Å; I453-F455 HydrophobicContact CG2-CE2 4.27Å; I453-F455 HydrophobicContact CG2-CZ 3.85Å; I453-V458 HydrophobicContact CG2-CG2 3.86Å
454	V	92.2	Very high	92.1	Very high	5 Å²	5	6.5 Å²	6.5	3%	0.03	3%	0.034	C	C	.	.			trans	-115.7	117.8	162.6	162.6	0	0	0	0	109.5	Y138 K401 G456 E457	Y138-V454 HydrophobicContact CD1-CG1 3.65Å; Y138-V454 HydrophobicContact CE1-CB 4.38Å; Y138-V454 HydrophobicContact CE1-CG1 3.21Å; Y138-V454 HydrophobicContact CE1-CG2 4.31Å; Y138-V454 HydrophobicContact CE2-CG2 4.37Å; Y138-V454 HydrophobicContact CG-CG1 4.49Å; K401-V454 VanDerWaalsContact NZ-CB 3.31Å; V454-G456 PolarHBondContact O-N 3.5Å; V454-G456 VanDerWaalsContact O-N 3.12Å; V454-E457 WeakPolarHBondContact O-CG 3.4Å; V454-E457 PolarHBondContact O-N 2.91Å
455	F	92.1	Very high	92.1	Very high	6 Å²	6	6.8 Å²	6.8	3%	0.026	4%	0.035	C	C	.	.	H	α-helix	trans	-65.5	-18.5	-175.6	-68.2	-72	0	0	0	114.5	H89 V91 L92 M429 I453 E457 V458 D459	H89-F455 HydrophobicContact CB-CD2 4.16Å; H89-F455 HydrophobicContact CB-CE2 4Å; V91-F455 HydrophobicContact CG2-CB 3.17Å; V91-F455 HydrophobicContact CG2-CD1 4.35Å; V91-F455 HydrophobicContact CG2-CD2 3.52Å; V91-F455 HydrophobicContact CG2-CG 3.41Å; V91-F455 VanDerWaalsContact CG2-CG 3.41Å; L92-F455 HydrophobicContact CB-CE1 4.03Å; L92-F455 HydrophobicContact CB-CE2 3.84Å; L92-F455 HydrophobicContact CB-CZ 3.51Å; L92-F455 HydrophobicContact CD1-CE1 3.75Å; L92-F455 HydrophobicContact CD1-CZ 3.87Å; L92-F455 HydrophobicContact CD2-CZ 3.94Å; L92-F455 HydrophobicContact CG-CE1 4.33Å; L92-F455 HydrophobicContact CG-CZ 3.95Å; M429-F455 HydrophobicContact CE-CE1 4.24Å; M429-F455 HydrophobicContact CG-CE1 4.4Å; M429-F455 HydrophobicContact SD-CE1 4.15Å; M429-F455 HydrophobicContact SD-CZ 4.32Å; I453-F455 HydrophobicContact CG2-CD1 4.19Å; I453-F455 HydrophobicContact CG2-CE1 3.84Å; I453-F455 HydrophobicContact CG2-CE2 4.27Å; I453-F455 HydrophobicContact CG2-CZ 3.85Å; F455-E457 VanDerWaalsContact C-N 3.3Å; F455-E457 PolarHBondContact O-N 2.91Å; F455-V458 PolarHBondContact O-N 3.04Å; F455-D459 WeakPolarHBondContact O-CB 3.33Å; F455-D459 PolarHBondContact O-N 3.47Å
456	G	90.7	Very high	92	Very high	2 Å²	2	6.2 Å²	6.2	2%	0.021	3%	0.031	C	C	.	.	H	α-helix	trans	-60.2	-36.3	173.7	0	0	0	0	0	113.5	R115 L136 V454 R460	R115-G456 PolarHBondContact NH2-O 3.46Å; L136-G456 CarbonylContact O-C 3.4Å; L136-G456 WeakPolarHBondContact O-CA 3.31Å; V454-G456 PolarHBondContact O-N 3.5Å; V454-G456 VanDerWaalsContact O-N 3.12Å; G456-R460 WeakPolarHBondContact O-CA 3.44Å; G456-R460 PolarHBondContact O-N 3.06Å
457	E	92.7	Very high	91.9	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.009	3%	0.031	C	C	.	.	H	α-helix	trans	-83.9	-33.8	175.4	58	157.8	-145.6	0	0	112.5	L136 D137 A423 P424 G425 V454 F455 R460	L136-E457 HydrophobicContact CB-CB 4.45Å; L136-E457 PolarHBondContact O-N 2.89Å; L136-E457 VanDerWaalsContact O-N 3.14Å; D137-E457 HydrophobicContact CB-CB 4.47Å; A423-E457 HydrophobicContact CB-CB 3.83Å; A423-E457 HydrophobicContact CB-CG 4.12Å; A423-E457 WeakPolarHBondContact CB-O 3.4Å; P424-E457 WeakPolarHBondContact CD-OE2 3.16Å; G425-E457 WeakPolarHBondContact CA-OE1 3.46Å; G425-E457 PolarHBondContact N-OE1 3.33Å; V454-E457 WeakPolarHBondContact O-CG 3.4Å; V454-E457 PolarHBondContact O-N 2.91Å; F455-E457 VanDerWaalsContact C-N 3.3Å; F455-E457 PolarHBondContact O-N 2.91Å; E457-R460 WeakPolarHBondContact O-CG 3.48Å
458	V	93.2	Very high	91.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-63.8	-50.4	179.9	178.3	0	0	0	0	110.4	I110 F426 M429 I453 F455 R460	I110-V458 HydrophobicContact CD1-CG1 4.11Å; I110-V458 HydrophobicContact CG2-CG1 4.21Å; F426-V458 HydrophobicContact CD2-CG1 4.04Å; M429-V458 HydrophobicContact CG-CG2 4.49Å; I453-V458 HydrophobicContact CG2-CG2 3.86Å; F455-V458 PolarHBondContact O-N 3.04Å; V458-R460 PolarHBondContact O-NH1 3.45Å
459	D	92.3	Very high	91.6	Very high	6 Å²	6	7.4 Å²	7.4	3%	0.032	4%	0.036	C	C	.	.	H	α-helix	trans	-83.1	-28.1	-176.3	-72.2	-8.8	0	0	0	112.8	I110 G111 L112 L113 H114 F455	I110-D459 WeakPolarHBondContact CB-OD1 3.26Å; G111-D459 VanDerWaalsContact CA-CG 3.48Å; G111-D459 WeakPolarHBondContact CA-OD1 3.47Å; G111-D459 VanDerWaalsContact CA-OD2 3.29Å; G111-D459 WeakPolarHBondContact CA-OD2 3.34Å; G111-D459 PolarHBondContact N-OD1 2.95Å; G111-D459 PolarHBondContact N-OD2 3.48Å; L112-D459 PolarHBondContact N-OD2 3.02Å; L113-D459 VanDerWaalsContact C-CB 3.47Å; L113-D459 WeakPolarHBondContact CA-OD2 3.5Å; L113-D459 HydrophobicContact CB-CB 4.16Å; L113-D459 PolarHBondContact N-OD2 3.37Å; H114-D459 HydrophobicContact CB-CB 4.34Å; H114-D459 PolarHBondContact ND1-O 2.62Å; F455-D459 WeakPolarHBondContact O-CB 3.33Å; F455-D459 PolarHBondContact O-N 3.47Å
460	R	90.2	Very high	91.6	Very high	39 Å²	39	7.9 Å²	7.9	15%	0.147	4%	0.038	C	C	.	.			trans	68.4	0	-179.9	-58	177.6	-73.1	-82.9	-7.5	114.8	R115 G116 T117 E118 L136 G456 E457 V458	R115-R460 VanDerWaalsContact CZ-OXT 3.32Å; R115-R460 PolarHBondContact N-O 3.4Å; R115-R460 VanDerWaalsContact N-O 3.09Å; R115-R460 PolarHBondContact NE-OXT 2.86Å; R115-R460 PolarHBondContact NH2-OXT 3.13Å; G116-R460 PolarHBondContact N-O 3.34Å; T117-R460 WeakPolarHBondContact CG2-OXT 3.23Å; T117-R460 PolarHBondContact N-O 3.05Å; T117-R460 WeakPolarHBondContact OG1-CB 3.06Å; T117-R460 PolarHBondContact OG1-O 3.19Å; T117-R460 PolarHBondContact OG1-OXT 2.64Å; E118-R460 WeakPolarHBondContact OE1-CD 3.32Å; E118-R460 IonicContact OE1-NE 3.71Å; E118-R460 PolarHBondContact OE1-NE 2.69Å; L136-R460 HydrophobicContact CD2-CB 4.31Å; L136-R460 HydrophobicContact CD2-CG 4.45Å; G456-R460 WeakPolarHBondContact O-CA 3.44Å; G456-R460 PolarHBondContact O-N 3.06Å; E457-R460 WeakPolarHBondContact O-CG 3.48Å; V458-R460 PolarHBondContact O-NH1 3.45Å

Retrieved 460 of 460 residues in 281.6 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).