A0A3Q0KSR2_SCHMA Loading...

Putative cell cycle control protein cwf22

AlphaFold DB , UniProt , Accession A0A3Q0KSR2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 778 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44	Very low	40.3	Very low	238 Å²	238	175.5 Å²	175.5	100%	1.172	86%	0.863	S	S	*	*				0	112.5	0	-66.7	166.5	177.7	0	0	106.3
2	D	41.6	Very low	41.3	Very low	138 Å²	138	169.7 Å²	169.7	74%	0.738	85%	0.848	S	S	*	*			cis	-141.9	-177.1	-5.1	-143	-14.3	0	0	0	114.1
3	R	39.9	Very low	40.8	Very low	234 Å²	234	170.3 Å²	170.3	88%	0.883	85%	0.847	S	S	*	*			trans	-82.2	150.9	-152.4	-64.1	140.5	171.5	-175	-3.4	117.1
4	G	41.8	Very low	40.5	Very low	68 Å²	68	168.6 Å²	168.6	70%	0.701	84%	0.842	S	S	*	*			trans	106.4	139.7	152.3	0	0	0	0	0	115.5
5	T	46.7	Very low	40.2	Very low	148 Å²	148	165.5 Å²	165.5	91%	0.908	82%	0.824	S	S	*	*			cis	-148.5	164.9	-5.2	-40.4	0	0	0	0	110.5
6	K	41.3	Very low	39.9	Very low	197 Å²	197	165.8 Å²	165.8	86%	0.857	82%	0.819	S	S	*	*			trans	-94.3	145.2	-159.5	-54.2	170.3	-179.6	175.9	0	115.7
7	R	41.8	Very low	39.7	Very low	249 Å²	249	162.2 Å²	162.2	94%	0.94	81%	0.814	S	S	*	*				172.9	155.8	125.7	-99.3	170.8	173.2	179.9	-2.4	111.1
8	A	38.7	Very low	39.2	Very low	96 Å²	96	158.9 Å²	158.9	79%	0.793	81%	0.809	S	S	*	*				-149.7	144.9	-65.8	0	0	0	0	0	107.8
9	R	33.6	Very low	39.1	Very low	248 Å²	248	157.8 Å²	157.8	94%	0.936	81%	0.811	S	S	*	*			trans	-91.5	150.3	172.8	-65.1	-175.5	-172.9	172.6	2.4	110.3
10	Y	39.1	Very low	38.8	Very low	206 Å²	206	156.9 Å²	156.9	81%	0.808	81%	0.812	S	S	*	*			trans	-146.7	126.6	156.7	-156.2	-95.9	0	0	0	111.1	P12	Y10-P12 HydrophobicContact CE1-CB 4.26Å
11	S	35.2	Very low	38.8	Very low	108 Å²	108	154.9 Å²	154.9	76%	0.755	81%	0.812	S	S	*	*			trans	-144.5	124.6	163.7	-58.1	0	0	0	0	105.9
12	P	52	Low	38.2	Very low	106 Å²	106	152 Å²	152	69%	0.688	80%	0.796	S	S	*	*			trans	-80.6	149	174.9	32.8	-32.8	0	0	0	110.8	Y10	Y10-P12 HydrophobicContact CE1-CB 4.26Å
13	E	34.4	Very low	37.9	Very low	178 Å²	178	153.1 Å²	153.1	83%	0.832	80%	0.802	S	S	*	*			trans	-103.2	171	171.8	-59.3	178.2	130.1	0	0	110.4
14	N	36.7	Very low	37.6	Very low	146 Å²	146	146.9 Å²	146.9	78%	0.781	79%	0.792	S	S	*	*			trans	72	152.5	152.5	-103.4	-18.1	0	0	0	117.5
15	E	35.9	Very low	37.1	Very low	123 Å²	123	153.2 Å²	153.2	58%	0.575	80%	0.8	S	S	*	*			cis	-142.7	161.8	1.9	-54.6	-175	107.2	0	0	111.8
16	K	35.5	Very low	36.4	Very low	170 Å²	170	156 Å²	156	74%	0.739	80%	0.799	S	S	*	*			trans	63.8	154	148.8	-69.1	152.6	-164.2	164.6	0	117.8
17	S	36.6	Very low	35.9	Very low	105 Å²	105	154.3 Å²	154.3	73%	0.734	80%	0.8	S	S	*	*			cis	-148.8	164.6	-0.3	48.7	0	0	0	0	111.9
18	S	31.4	Very low	35.4	Very low	103 Å²	103	148.4 Å²	148.4	72%	0.72	79%	0.787	S	S	*	*			trans	-16.8	140.2	160.2	54.7	0	0	0	0	117.2
19	T	36.2	Very low	35.1	Very low	137 Å²	137	149.9 Å²	149.9	84%	0.84	79%	0.791	S	S	*	*				-146.1	163.7	68.3	37.9	0	0	0	0	115.4
20	V	33.4	Very low	35.1	Very low	140 Å²	140	141.9 Å²	141.9	85%	0.848	77%	0.773	S	S	*	*			trans	-109.9	131.3	170.3	175.2	0	0	0	0	109.3
21	S	38	Very low	35	Very low	115 Å²	115	141.6 Å²	141.6	80%	0.804	78%	0.776	S	S	*	*			trans	-147.1	133.1	156.1	55.1	0	0	0	0	109.8
22	E	31.7	Very low	34.9	Very low	177 Å²	177	141.5 Å²	141.5	83%	0.827	77%	0.767	S	S	*	*			trans	-81.4	141.8	176.7	-62.3	173.3	105.9	0	0	110.5
23	N	35.7	Very low	34.4	Very low	162 Å²	162	141.3 Å²	141.3	87%	0.866	77%	0.766	S	S	*	*			trans	-162.1	150	135	-105.6	-59.3	0	0	0	110.9
24	P	33.9	Very low	34.9	Very low	103 Å²	103	137.9 Å²	137.9	67%	0.669	75%	0.753	S	S	*	*			trans	-102.2	160.5	-161.2	39.1	-36.4	0	0	0	115.2
25	K	30.7	Very low	35.2	Very low	201 Å²	201	139.2 Å²	139.2	87%	0.874	75%	0.752	S	S	*	*			trans	57.9	105.5	158.8	-64.8	174.8	-177.3	-179.9	0	117.9
26	K	32.8	Very low	35.6	Very low	206 Å²	206	137.1 Å²	137.1	90%	0.896	74%	0.741	S	S	*	*			trans	-128.6	147.4	135.4	-77	-171.1	173.7	-178.6	0	108.6
27	D	29.9	Very low	36.1	Very low	162 Å²	162	132 Å²	132	87%	0.866	73%	0.731	S	S	*	*			trans	-70.9	135.6	-178.5	-63.2	-77.2	0	0	0	111.7
28	D	32.3	Very low	36.6	Very low	125 Å²	125	133.3 Å²	133.3	67%	0.668	73%	0.729	S	S	*	*			trans	-121.1	85.9	178.1	-163.7	-9.7	0	0	0	110.4	S30	D28-S30 PolarHBondContact O-N 3.24Å; D28-S30 WeakPolarHBondContact OD1-CB 3.48Å; D28-S30 PolarHBondContact OD1-OG 2.8Å
29	S	32.6	Very low	37.5	Very low	126 Å²	126	131.2 Å²	131.2	88%	0.881	71%	0.709	S	S	*	*			trans	-87	33.2	-176.8	45.8	0	0	0	0	113.2
30	S	32.9	Very low	38.3	Very low	80 Å²	80	129.4 Å²	129.4	56%	0.559	69%	0.69	S	S	*	*			trans	-109.4	32.1	-169.5	70.8	0	0	0	0	115.9	D28 N32	D28-S30 PolarHBondContact O-N 3.24Å; D28-S30 WeakPolarHBondContact OD1-CB 3.48Å; D28-S30 PolarHBondContact OD1-OG 2.8Å; S30-N32 PolarHBondContact O-N 3.43Å
31	K	36.7	Very low	38.6	Very low	200 Å²	200	124.2 Å²	124.2	87%	0.87	67%	0.665	S	S	*	*			trans	-70.3	94.3	-170.1	-75.5	175.8	179.8	164.5	0	115.1
32	N	33.7	Very low	39	Very low	106 Å²	106	129.5 Å²	129.5	57%	0.567	67%	0.673	S	S	*	*			trans	2.9	120.4	166.6	-72.9	19	0	0	0	118.7	S30 D34	S30-N32 PolarHBondContact O-N 3.43Å; N32-D34 VanDerWaalsContact C-N 3.3Å; N32-D34 PolarHBondContact O-N 3.45Å
33	P	42.1	Very low	39.5	Very low	103 Å²	103	127.4 Å²	127.4	67%	0.669	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-23.3	173.4	29.2	-34.9	0	0	0	114.1	K35 F36	P33-K35 PolarHBondContact O-N 3.14Å; P33-F36 PolarHBondContact O-N 3.26Å
34	D	43.4	Very low	40	Very low	105 Å²	105	123.4 Å²	123.4	56%	0.561	67%	0.669	S	S	*	*	H	α-helix	trans	-58.4	-18.5	-171.6	-56.2	-44.7	0	0	0	115.3	N32 F36 A37	N32-D34 VanDerWaalsContact C-N 3.3Å; N32-D34 PolarHBondContact O-N 3.45Å; D34-F36 VanDerWaalsContact C-N 3.25Å; D34-F36 PolarHBondContact O-N 3.38Å; D34-A37 PolarHBondContact O-N 3.07Å
35	K	44.9	Very low	41	Very low	175 Å²	175	121.9 Å²	121.9	76%	0.761	67%	0.673	S	S	*	*	H	α-helix	trans	-68.4	-21.6	176.5	-75.6	-174.2	175.9	177.9	0	113.4	P33 I39	P33-K35 PolarHBondContact O-N 3.14Å; K35-I39 WeakPolarHBondContact O-CG1 3.44Å
36	F	43.6	Very low	42.2	Very low	79 Å²	79	116.2 Å²	116.2	35%	0.346	66%	0.664	S	S	.	*	H	α-helix	trans	-81.1	-32	176.6	-71.7	-83.2	0	0	0	113.1	P33 D34 N38 I39	P33-F36 PolarHBondContact O-N 3.26Å; D34-F36 VanDerWaalsContact C-N 3.25Å; D34-F36 PolarHBondContact O-N 3.38Å; F36-N38 PolarHBondContact O-N 3.33Å; F36-I39 HydrophobicContact CD1-CD1 4.05Å; F36-I39 WeakPolarHBondContact O-CG1 3.25Å; F36-I39 PolarHBondContact O-N 3.13Å
37	A	45.8	Very low	43.9	Very low	62 Å²	62	115.1 Å²	115.1	51%	0.512	66%	0.655	S	S	.	*	H	α-helix	trans	-65.4	-35.3	-177.9	0	0	0	0	0	113.5	D34 I39	D34-A37 PolarHBondContact O-N 3.07Å; A37-I39 VanDerWaalsContact C-N 3.32Å; A37-I39 PolarHBondContact O-N 2.97Å
38	N	47.3	Very low	45.6	Very low	133 Å²	133	109.3 Å²	109.3	71%	0.711	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-81.7	0.4	-175.8	-91.1	-53.7	0	0	0	115.3	F36 F40 G41	F36-N38 PolarHBondContact O-N 3.33Å; N38-F40 VanDerWaalsContact C-N 3.34Å; N38-F40 PolarHBondContact O-N 3Å; N38-G41 PolarHBondContact O-N 3.04Å
39	I	50.4	Low	47.6	Very low	58 Å²	58	106.4 Å²	106.4	30%	0.297	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-68.9	-33.3	-174.8	-65.1	-176.3	0	0	0	112.1	K35 F36 A37 I48 M56	K35-I39 WeakPolarHBondContact O-CG1 3.44Å; F36-I39 HydrophobicContact CD1-CD1 4.05Å; F36-I39 WeakPolarHBondContact O-CG1 3.25Å; F36-I39 PolarHBondContact O-N 3.13Å; A37-I39 VanDerWaalsContact C-N 3.32Å; A37-I39 PolarHBondContact O-N 2.97Å; I39-I48 HydrophobicContact CG2-CD1 4.03Å; I39-M56 HydrophobicContact CD1-CE 3.65Å; I39-M56 HydrophobicContact CG2-CE 3.77Å
40	F	52.9	Low	49.4	Very low	99 Å²	99	104.7 Å²	104.7	43%	0.434	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-101.9	59.1	173.4	-57.8	-79.8	0	0	0	110.1	N38 I48	N38-F40 VanDerWaalsContact C-N 3.34Å; N38-F40 PolarHBondContact O-N 3Å; F40-I48 HydrophobicContact CE1-CD1 4.28Å; F40-I48 HydrophobicContact CZ-CD1 4.45Å
41	G	39.6	Very low	51.5	Low	31 Å²	31	103.2 Å²	103.2	32%	0.32	60%	0.595	S	S	.	*			trans	-54.4	159.2	-177.6	0	0	0	0	0	113.8	N38 T43 G44	N38-G41 PolarHBondContact O-N 3.04Å; G41-T43 CarbonylContact O-C 3.46Å; G41-T43 PolarHBondContact O-N 2.81Å; G41-G44 PolarHBondContact O-N 2.82Å
42	K	46.5	Very low	53.2	Low	227 Å²	227	101.6 Å²	101.6	99%	0.987	58%	0.583	S	S	*	*	S	Bend	trans	-47.1	-24.6	-167.7	-72.3	-177.2	175	179.3	0	116.4
43	T	41.9	Very low	54.9	Low	133 Å²	133	98.4 Å²	98.4	82%	0.816	57%	0.566	S	S	*	*	S	Bend	trans	-98.6	84	165.9	53.1	0	0	0	0	109.8	G41 G45	G41-T43 CarbonylContact O-C 3.46Å; G41-T43 PolarHBondContact O-N 2.81Å; T43-G45 PolarHBondContact O-N 3.41Å
44	G	46.4	Very low	56.4	Low	77 Å²	77	102.4 Å²	102.4	79%	0.794	57%	0.568	S	S	*	*			trans	-69.6	78.9	-171.8	0	0	0	0	0	114.4	G41	G41-G44 PolarHBondContact O-N 2.82Å
45	G	54.7	Low	57.9	Low	71 Å²	71	103.5 Å²	103.5	73%	0.732	57%	0.569	S	S	*	*			trans	-149.3	10.7	-173.7	0	0	0	0	0	116.6	T43 Y47	T43-G45 PolarHBondContact O-N 3.41Å; G45-Y47 PolarHBondContact O-N 2.69Å
46	A	55.7	Low	58.9	Low	83 Å²	83	96.4 Å²	96.4	69%	0.686	54%	0.539	S	S	*	.			trans	-77.6	115.6	175.2	0	0	0	0	0	111	I48	A46-I48 PolarHBondContact O-N 3.33Å
47	Y	69.5	Low	60.2	Low	183 Å²	183	96.4 Å²	96.4	72%	0.718	54%	0.54	S	S	*	.			trans	-68.1	120.2	174.7	175.2	-98.4	0	0	0	110.9	G45 P49	G45-Y47 PolarHBondContact O-N 2.69Å; Y47-P49 HydrophobicContact CD1-CG 4.26Å; Y47-P49 HydrophobicContact CE1-CB 4.23Å; Y47-P49 HydrophobicContact CE1-CG 3.95Å
48	I	65.9	Low	61.5	Low	39 Å²	39	97.4 Å²	97.4	20%	0.2	55%	0.549	C	S	.	.			trans	-99.9	115.3	173.8	-54.8	177.4	0	0	0	108.1	I39 F40 A46 R52 L53 M56	I39-I48 HydrophobicContact CG2-CD1 4.03Å; F40-I48 HydrophobicContact CE1-CD1 4.28Å; F40-I48 HydrophobicContact CZ-CD1 4.45Å; A46-I48 PolarHBondContact O-N 3.33Å; I48-R52 HydrophobicContact CG2-CB 4.25Å; I48-R52 HydrophobicContact CG2-CG 4.39Å; I48-L53 HydrophobicContact CD1-CD1 4.47Å; I48-L53 HydrophobicContact CG2-CB 3.97Å; I48-L53 HydrophobicContact CG2-CD1 4.26Å; I48-M56 HydrophobicContact CD1-CE 4.27Å; I48-M56 HydrophobicContact CG2-SD 4.27Å
49	P	72.7	Confident	62.5	Low	64 Å²	64	96.9 Å²	96.9	42%	0.416	54%	0.542	S	S	.	.			trans	-58.3	140.6	177.5	-25.8	34.6	0	0	0	112.1	Y47 G51 R52 L53	Y47-P49 HydrophobicContact CD1-CG 4.26Å; Y47-P49 HydrophobicContact CE1-CB 4.23Å; Y47-P49 HydrophobicContact CE1-CG 3.95Å; P49-G51 VanDerWaalsContact C-N 3.29Å; P49-G51 PolarHBondContact O-N 2.88Å; P49-G51 VanDerWaalsContact O-N 3.12Å; P49-R52 WeakPolarHBondContact O-CA 3.22Å; P49-R52 WeakPolarHBondContact O-CB 3.19Å; P49-R52 PolarHBondContact O-N 3.4Å; P49-L53 PolarHBondContact O-N 3.48Å
50	P	70.5	Confident	63.4	Low	91 Å²	91	95.3 Å²	95.3	59%	0.591	53%	0.534	S	S	*	.	H	α-helix	trans	-53.7	-37.8	-172.7	-30.7	35.7	0	0	0	115.4	L53 R54	P50-L53 PolarHBondContact O-N 2.93Å; P50-R54 PolarHBondContact O-N 2.55Å
51	G	77.3	Confident	64	Low	49 Å²	49	96.8 Å²	96.8	51%	0.505	55%	0.551	S	S	.	*	H	α-helix	trans	-64.2	-39	175.7	0	0	0	0	0	113.3	P49 R54 Q55	P49-G51 VanDerWaalsContact C-N 3.29Å; P49-G51 PolarHBondContact O-N 2.88Å; P49-G51 VanDerWaalsContact O-N 3.12Å; G51-R54 PolarHBondContact O-N 3.28Å; G51-Q55 WeakPolarHBondContact O-CG 3.43Å; G51-Q55 PolarHBondContact O-N 3.4Å
52	R	72	Confident	65.7	Low	166 Å²	166	99 Å²	99	63%	0.626	56%	0.556	S	S	*	*	H	α-helix	trans	-71.8	-37.3	175.3	-170.7	174.1	-177.7	155.6	2.9	111.4	I48 P49 R54 Q55 M56	I48-R52 HydrophobicContact CG2-CB 4.25Å; I48-R52 HydrophobicContact CG2-CG 4.39Å; P49-R52 WeakPolarHBondContact O-CA 3.22Å; P49-R52 WeakPolarHBondContact O-CB 3.19Å; P49-R52 PolarHBondContact O-N 3.4Å; R52-R54 VanDerWaalsContact C-N 3.33Å; R52-R54 PolarHBondContact O-N 3.15Å; R52-Q55 PolarHBondContact O-N 3.45Å; R52-M56 HydrophobicContact CG-SD 3.92Å; R52-M56 VanDerWaalsContact O-CG 3.25Å; R52-M56 WeakPolarHBondContact O-CG 3.33Å; R52-M56 PolarHBondContact O-N 3.03Å
53	L	70.1	Confident	67.1	Low	38 Å²	38	94.3 Å²	94.3	20%	0.199	54%	0.535	C	S	.	.	H	α-helix	trans	-60.7	-42.8	173	-170.9	68.7	0	0	0	111.2	I48 P49 P50 M56 Q57	I48-L53 HydrophobicContact CD1-CD1 4.47Å; I48-L53 HydrophobicContact CG2-CB 3.97Å; I48-L53 HydrophobicContact CG2-CD1 4.26Å; P49-L53 PolarHBondContact O-N 3.48Å; P50-L53 PolarHBondContact O-N 2.93Å; L53-M56 PolarHBondContact O-N 3.35Å; L53-Q57 WeakPolarHBondContact O-CG 3.24Å; L53-Q57 PolarHBondContact O-N 2.92Å
54	R	73.9	Confident	68.8	Low	188 Å²	188	90.5 Å²	90.5	71%	0.709	51%	0.514	S	S	*	.	H	α-helix	trans	-64.3	-40.5	175.8	-169.3	-178.1	-69.4	176.9	-3.5	112.7	P50 G51 R52 M56 Q57 A58	P50-R54 PolarHBondContact O-N 2.55Å; G51-R54 PolarHBondContact O-N 3.28Å; R52-R54 VanDerWaalsContact C-N 3.33Å; R52-R54 PolarHBondContact O-N 3.15Å; R54-M56 VanDerWaalsContact C-N 3.32Å; R54-M56 PolarHBondContact O-N 3.07Å; R54-Q57 PolarHBondContact O-N 2.9Å; R54-A58 PolarHBondContact O-N 2.92Å
55	Q	74.7	Confident	70.6	Confident	127 Å²	127	88.9 Å²	88.9	59%	0.593	49%	0.49	S	S	*	.	H	α-helix	trans	-62	-38.8	172.5	-74	173.5	-12.7	0	0	112.3	G51 R52 A58 Q59	G51-Q55 WeakPolarHBondContact O-CG 3.43Å; G51-Q55 PolarHBondContact O-N 3.4Å; R52-Q55 PolarHBondContact O-N 3.45Å; Q55-A58 PolarHBondContact O-N 3.07Å; Q55-Q59 WeakPolarHBondContact O-CG 3.46Å; Q55-Q59 PolarHBondContact O-N 3.15Å
56	M	66.1	Low	72.3	Confident	26 Å²	26	88.8 Å²	88.8	13%	0.128	47%	0.471	C	S	.	.	H	α-helix	trans	-74	-34.6	178.5	-69	165.4	55.4	0	0	112.2	I39 I48 R52 L53 R54 Q59 I60	I39-M56 HydrophobicContact CD1-CE 3.65Å; I39-M56 HydrophobicContact CG2-CE 3.77Å; I48-M56 HydrophobicContact CD1-CE 4.27Å; I48-M56 HydrophobicContact CG2-SD 4.27Å; R52-M56 HydrophobicContact CG-SD 3.92Å; R52-M56 VanDerWaalsContact O-CG 3.25Å; R52-M56 WeakPolarHBondContact O-CG 3.33Å; R52-M56 PolarHBondContact O-N 3.03Å; L53-M56 PolarHBondContact O-N 3.35Å; R54-M56 VanDerWaalsContact C-N 3.32Å; R54-M56 PolarHBondContact O-N 3.07Å; M56-Q59 PolarHBondContact O-N 3.19Å; M56-I60 WeakPolarHBondContact O-CG1 3.01Å
57	Q	69.9	Low	73.7	Confident	80 Å²	80	86 Å²	86	37%	0.374	45%	0.448	S	S	.	.	H	α-helix	trans	-59.5	-46.4	168.7	-78.8	167.6	-36.8	0	0	111.3	L53 R54 Q59 I60 I71	L53-Q57 WeakPolarHBondContact O-CG 3.24Å; L53-Q57 PolarHBondContact O-N 2.92Å; R54-Q57 PolarHBondContact O-N 2.9Å; Q57-Q59 PolarHBondContact O-N 3Å; Q57-I60 PolarHBondContact O-N 3.33Å; Q57-I60 VanDerWaalsContact O-N 3.11Å; Q57-I71 HydrophobicContact CG-CG2 3.76Å
58	A	72.6	Confident	74.5	Confident	83 Å²	83	81 Å²	81	69%	0.686	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-14.4	178.3	0	0	0	0	0	114.4	R54 Q55	R54-A58 PolarHBondContact O-N 2.92Å; Q55-A58 PolarHBondContact O-N 3.07Å
59	Q	69.3	Low	75.7	Confident	121 Å²	121	79.4 Å²	79.4	57%	0.565	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-11.5	175.3	-72.7	170.9	7.5	0	0	113.4	Q55 M56 Q57	Q55-Q59 WeakPolarHBondContact O-CG 3.46Å; Q55-Q59 PolarHBondContact O-N 3.15Å; M56-Q59 PolarHBondContact O-N 3.19Å; Q57-Q59 PolarHBondContact O-N 3Å
60	I	68.4	Low	76.5	Confident	26 Å²	26	79.7 Å²	79.7	13%	0.133	41%	0.413	C	S	.	.			trans	-106.5	87.4	-177.2	-59.1	164	0	0	0	108.3	M56 Q57 A67 Y68 I71	M56-I60 WeakPolarHBondContact O-CG1 3.01Å; Q57-I60 PolarHBondContact O-N 3.33Å; Q57-I60 VanDerWaalsContact O-N 3.11Å; I60-A67 HydrophobicContact CD1-CB 4.03Å; I60-Y68 HydrophobicContact CG2-CD2 4.22Å; I60-I71 HydrophobicContact CD1-CD1 3.55Å
61	T	66.4	Low	77.3	Confident	130 Å²	130	76.5 Å²	76.5	80%	0.798	39%	0.391	S	S	*	.			trans	-80	-29.5	179.9	49.7	0	0	0	0	113.2	K63	T61-K63 PolarHBondContact O-N 3.04Å
62	D	76.1	Confident	77.9	Confident	78 Å²	78	75.2 Å²	75.2	42%	0.417	38%	0.375	S	S	.	.			trans	-77.4	108.4	178.3	172.4	22.4	0	0	0	111.5	S64 S65 Y68	D62-S64 VanDerWaalsContact C-N 3.26Å; D62-S64 VanDerWaalsContact CG-OG 3.27Å; D62-S64 PolarHBondContact O-N 2.98Å; D62-S64 WeakPolarHBondContact OD1-CA 3.41Å; D62-S64 WeakPolarHBondContact OD1-CB 3.24Å; D62-S64 PolarHBondContact OD1-N 2.72Å; D62-S64 PolarHBondContact OD1-OG 3.09Å; D62-S64 PolarHBondContact OD2-OG 3.02Å; D62-S64 VanDerWaalsContact OD2-OG 3.14Å; D62-S65 WeakPolarHBondContact O-CB 3.29Å; D62-S65 PolarHBondContact O-N 2.68Å; D62-S65 WeakPolarHBondContact OD2-CB 3.35Å; D62-S65 PolarHBondContact OD2-N 3.25Å; D62-Y68 WeakPolarHBondContact O-CB 3.44Å
63	K	76	Confident	78.9	Confident	127 Å²	127	68.6 Å²	68.6	55%	0.552	35%	0.35	S	S	*	.	S	Bend	trans	-67.9	-19.8	176.9	-64.2	-177.9	-179.4	179	0	113.9	T61 Y68 L306	T61-K63 PolarHBondContact O-N 3.04Å; K63-Y68 HydrophobicContact CB-CD1 4.23Å; K63-Y68 HydrophobicContact CB-CE1 4.09Å; K63-Y68 HydrophobicContact CG-CE1 4.2Å; K63-Y68 HydrophobicContact CG-CE2 4.28Å; K63-Y68 VanDerWaalsContact O-CD1 3.22Å; K63-Y68 WeakPolarHBondContact O-CD1 3.4Å; K63-L306 HydrophobicContact CB-CD2 3.74Å
64	S	77.3	Confident	79.9	Confident	53 Å²	53	70 Å²	70	37%	0.371	36%	0.355	S	S	.	.	S	Bend	trans	-80.6	-28.3	179.6	75.6	0	0	0	0	112.6	D62 Q69 F301	D62-S64 VanDerWaalsContact C-N 3.26Å; D62-S64 VanDerWaalsContact CG-OG 3.27Å; D62-S64 PolarHBondContact O-N 2.98Å; D62-S64 WeakPolarHBondContact OD1-CA 3.41Å; D62-S64 WeakPolarHBondContact OD1-CB 3.24Å; D62-S64 PolarHBondContact OD1-N 2.72Å; D62-S64 PolarHBondContact OD1-OG 3.09Å; D62-S64 PolarHBondContact OD2-OG 3.02Å; D62-S64 VanDerWaalsContact OD2-OG 3.14Å; S64-Q69 PolarHBondContact O-NE2 2.87Å; S64-F301 WeakPolarHBondContact O-CE2 3.36Å
65	S	84.7	Confident	80.7	Confident	43 Å²	43	63.2 Å²	63.2	30%	0.301	34%	0.34	S	S	.	.	S	Bend	trans	-52.9	137.9	-176.9	-171.5	0	0	0	0	113.9	D62 A67 Y68 Q69	D62-S65 WeakPolarHBondContact O-CB 3.29Å; D62-S65 PolarHBondContact O-N 2.68Å; D62-S65 WeakPolarHBondContact OD2-CB 3.35Å; D62-S65 PolarHBondContact OD2-N 3.25Å; S65-A67 PolarHBondContact O-N 3.41Å; S65-A67 VanDerWaalsContact O-N 3.11Å; S65-A67 PolarHBondContact OG-N 2.82Å; S65-Y68 WeakPolarHBondContact O-CA 3.45Å; S65-Y68 WeakPolarHBondContact O-CB 3.34Å; S65-Y68 PolarHBondContact O-N 3.37Å; S65-Q69 PolarHBondContact O-N 3.17Å
66	E	88.4	Confident	81.6	Confident	70 Å²	70	57.2 Å²	57.2	33%	0.327	31%	0.312	S	S	.	.	H	α-helix	trans	-55	-32.9	173.5	-166.3	-167.1	-171	0	0	112	Y68 Q69 R70 F299 F301	E66-Y68 VanDerWaalsContact C-N 3.34Å; E66-Y68 PolarHBondContact O-N 2.81Å; E66-Q69 PolarHBondContact O-N 3.24Å; E66-R70 VanDerWaalsContact CD-NE 3.25Å; E66-R70 HydrophobicContact CG-CG 4.26Å; E66-R70 WeakPolarHBondContact O-CB 3.32Å; E66-R70 VanDerWaalsContact O-CG 3.25Å; E66-R70 WeakPolarHBondContact O-CG 3.5Å; E66-R70 PolarHBondContact O-N 3.13Å; E66-R70 IonicContact OE1-CZ 3.2Å; E66-R70 IonicContact OE1-NE 2.87Å; E66-R70 PolarHBondContact OE1-NE 2.68Å; E66-R70 IonicContact OE1-NH2 2.69Å; E66-R70 PolarHBondContact OE1-NH2 3.07Å; E66-R70 IonicContact OE2-CZ 3.34Å; E66-R70 IonicContact OE2-NE 2.89Å; E66-R70 IonicContact OE2-NH2 2.88Å; E66-R70 PolarHBondContact OE2-NH2 2.82Å; E66-F299 HydrophobicContact CG-CE1 3.86Å; E66-F299 HydrophobicContact CG-CZ 4.04Å; E66-F301 HydrophobicContact CB-CD2 3.65Å; E66-F301 HydrophobicContact CB-CE2 4.03Å; E66-F301 HydrophobicContact CG-CB 4.2Å; E66-F301 HydrophobicContact CG-CD2 3.77Å; E66-F301 HydrophobicContact CG-CG 4.34Å
67	A	85.2	Confident	83	Confident	24 Å²	24	60 Å²	60	20%	0.198	32%	0.324	C	S	.	.	H	α-helix	trans	-63.2	-39.5	175.9	0	0	0	0	0	112.2	I60 S65 I71	I60-A67 HydrophobicContact CD1-CB 4.03Å; S65-A67 PolarHBondContact O-N 3.41Å; S65-A67 VanDerWaalsContact O-N 3.11Å; S65-A67 PolarHBondContact OG-N 2.82Å; A67-I71 WeakPolarHBondContact O-CD1 3.26Å; A67-I71 VanDerWaalsContact O-CG1 3.28Å; A67-I71 WeakPolarHBondContact O-CG1 3.39Å; A67-I71 PolarHBondContact O-N 3.16Å
68	Y	87.6	Confident	84.1	Confident	78 Å²	78	62.2 Å²	62.2	31%	0.306	33%	0.332	S	S	.	.	H	α-helix	trans	-66.9	-51.1	173.8	-174.5	-92.9	0	0	0	110.7	I60 D62 K63 S65 E66 R70 I71 A72 F305	I60-Y68 HydrophobicContact CG2-CD2 4.22Å; D62-Y68 WeakPolarHBondContact O-CB 3.44Å; K63-Y68 HydrophobicContact CB-CD1 4.23Å; K63-Y68 HydrophobicContact CB-CE1 4.09Å; K63-Y68 HydrophobicContact CG-CE1 4.2Å; K63-Y68 HydrophobicContact CG-CE2 4.28Å; K63-Y68 VanDerWaalsContact O-CD1 3.22Å; K63-Y68 WeakPolarHBondContact O-CD1 3.4Å; S65-Y68 WeakPolarHBondContact O-CA 3.45Å; S65-Y68 WeakPolarHBondContact O-CB 3.34Å; S65-Y68 PolarHBondContact O-N 3.37Å; E66-Y68 VanDerWaalsContact C-N 3.34Å; E66-Y68 PolarHBondContact O-N 2.81Å; Y68-R70 VanDerWaalsContact C-N 3.34Å; Y68-R70 PolarHBondContact O-N 2.93Å; Y68-I71 PolarHBondContact O-N 2.82Å; Y68-A72 HydrophobicContact CE1-CB 4.43Å; Y68-A72 PolarHBondContact O-N 3.43Å; Y68-F305 HydrophobicContact CD1-CE1 4.02Å; Y68-F305 HydrophobicContact CD1-CZ 4.33Å; Y68-F305 AromaticContact CE1-CE1 3.93Å; Y68-F305 HydrophobicContact CE1-CE1 3.93Å; Y68-F305 HydrophobicContact CE1-CZ 4.2Å
69	Q	90.6	Very high	85.1	Confident	5 Å²	5	59.8 Å²	59.8	2%	0.023	31%	0.31	C	S	.	.	H	α-helix	trans	-58	-42.8	-178.6	-61	-172.5	14.8	0	0	112.5	S64 S65 E66 I71 A72 W73 F299 D302 F305	S64-Q69 PolarHBondContact O-NE2 2.87Å; S65-Q69 PolarHBondContact O-N 3.17Å; E66-Q69 PolarHBondContact O-N 3.24Å; Q69-I71 VanDerWaalsContact C-N 3.32Å; Q69-I71 PolarHBondContact O-N 3.46Å; Q69-A72 PolarHBondContact O-N 2.98Å; Q69-W73 WeakPolarHBondContact O-CB 3.43Å; Q69-W73 PolarHBondContact O-N 2.88Å; Q69-F299 HydrophobicContact CB-CE2 3.76Å; Q69-F299 HydrophobicContact CB-CZ 3.8Å; Q69-D302 PolarHBondContact NE2-O 3.17Å; Q69-F305 HydrophobicContact CB-CD2 4.48Å; Q69-F305 HydrophobicContact CB-CE2 4.42Å; Q69-F305 HydrophobicContact CG-CB 4.36Å; Q69-F305 HydrophobicContact CG-CD1 4.1Å; Q69-F305 HydrophobicContact CG-CD2 3.82Å; Q69-F305 HydrophobicContact CG-CE1 4.35Å; Q69-F305 HydrophobicContact CG-CE2 4.08Å; Q69-F305 HydrophobicContact CG-CG 3.83Å; Q69-F305 HydrophobicContact CG-CZ 4.35Å
70	R	89.1	Confident	86.4	Confident	71 Å²	71	54 Å²	54	27%	0.268	28%	0.283	S	S	.	.	H	α-helix	trans	-60.7	-39.2	175.5	-74.9	173.1	-179	-176.6	4	112.4	E66 Y68 E74 F299	E66-R70 VanDerWaalsContact CD-NE 3.25Å; E66-R70 HydrophobicContact CG-CG 4.26Å; E66-R70 WeakPolarHBondContact O-CB 3.32Å; E66-R70 VanDerWaalsContact O-CG 3.25Å; E66-R70 WeakPolarHBondContact O-CG 3.5Å; E66-R70 PolarHBondContact O-N 3.13Å; E66-R70 IonicContact OE1-CZ 3.2Å; E66-R70 IonicContact OE1-NE 2.87Å; E66-R70 PolarHBondContact OE1-NE 2.68Å; E66-R70 IonicContact OE1-NH2 2.69Å; E66-R70 PolarHBondContact OE1-NH2 3.07Å; E66-R70 IonicContact OE2-CZ 3.34Å; E66-R70 IonicContact OE2-NE 2.89Å; E66-R70 IonicContact OE2-NH2 2.88Å; E66-R70 PolarHBondContact OE2-NH2 2.82Å; Y68-R70 VanDerWaalsContact C-N 3.34Å; Y68-R70 PolarHBondContact O-N 2.93Å; R70-E74 PolarHBondContact O-N 2.87Å; R70-E74 VanDerWaalsContact O-N 3.12Å; R70-F299 HydrophobicContact CB-CZ 4.47Å; R70-F299 HydrophobicContact CG-CD1 3.66Å; R70-F299 HydrophobicContact CG-CD2 4.27Å; R70-F299 HydrophobicContact CG-CE1 3.38Å; R70-F299 HydrophobicContact CG-CE2 4.03Å; R70-F299 HydrophobicContact CG-CG 4.1Å; R70-F299 HydrophobicContact CG-CZ 3.59Å
71	I	88.2	Confident	87.7	Confident	24 Å²	24	56.8 Å²	56.8	12%	0.123	30%	0.295	C	S	.	.	H	α-helix	trans	-74.1	-41	179	-66.3	167.4	0	0	0	110.9	Q57 I60 A67 Y68 Q69 W73 E74 A75	Q57-I71 HydrophobicContact CG-CG2 3.76Å; I60-I71 HydrophobicContact CD1-CD1 3.55Å; A67-I71 WeakPolarHBondContact O-CD1 3.26Å; A67-I71 VanDerWaalsContact O-CG1 3.28Å; A67-I71 WeakPolarHBondContact O-CG1 3.39Å; A67-I71 PolarHBondContact O-N 3.16Å; Y68-I71 PolarHBondContact O-N 2.82Å; Q69-I71 VanDerWaalsContact C-N 3.32Å; Q69-I71 PolarHBondContact O-N 3.46Å; I71-W73 VanDerWaalsContact C-N 3.29Å; I71-W73 PolarHBondContact O-N 3.48Å; I71-E74 PolarHBondContact O-N 3.31Å; I71-A75 WeakPolarHBondContact O-CB 3.28Å; I71-A75 PolarHBondContact O-N 2.77Å
72	A	89.6	Confident	89	Confident	21 Å²	21	52 Å²	52	17%	0.174	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-36.6	173.6	0	0	0	0	0	112	Y68 Q69 A75 L76 R106 F305	Y68-A72 HydrophobicContact CE1-CB 4.43Å; Y68-A72 PolarHBondContact O-N 3.43Å; Q69-A72 PolarHBondContact O-N 2.98Å; A72-A75 PolarHBondContact O-N 3.18Å; A72-L76 WeakPolarHBondContact O-CB 3.33Å; A72-L76 PolarHBondContact O-N 3.2Å; A72-R106 PolarHBondContact O-NH2 3.24Å; A72-F305 HydrophobicContact CB-CZ 4.34Å
73	W	92.4	Very high	89.9	Confident	27 Å²	27	49.5 Å²	49.5	10%	0.102	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-48.2	173.7	-177.6	-95.2	0	0	0	112.8	Q69 I71 A75 L76 K77 R106 L110 L296 F299	Q69-W73 WeakPolarHBondContact O-CB 3.43Å; Q69-W73 PolarHBondContact O-N 2.88Å; I71-W73 VanDerWaalsContact C-N 3.29Å; I71-W73 PolarHBondContact O-N 3.48Å; W73-A75 VanDerWaalsContact C-N 3.27Å; W73-A75 PolarHBondContact O-N 3.37Å; W73-L76 PolarHBondContact O-N 3.28Å; W73-K77 WeakPolarHBondContact O-CB 3.48Å; W73-K77 PolarHBondContact O-N 3.49Å; W73-R106 HydrophobicContact CZ3-CG 4.23Å; W73-L110 HydrophobicContact CD2-CD1 4.04Å; W73-L110 HydrophobicContact CE3-CD1 4.24Å; W73-L110 HydrophobicContact CH2-CD1 3.93Å; W73-L110 HydrophobicContact CH2-CD2 4.47Å; W73-L110 HydrophobicContact CH2-CG 3.97Å; W73-L110 HydrophobicContact CZ2-CD1 3.71Å; W73-L110 HydrophobicContact CZ2-CD2 3.69Å; W73-L110 HydrophobicContact CZ2-CG 3.67Å; W73-L110 HydrophobicContact CZ3-CD1 4.19Å; W73-L296 WeakPolarHBondContact CH2-O 3.47Å; W73-F299 HydrophobicContact CB-CD2 3.74Å; W73-F299 HydrophobicContact CB-CE2 4.35Å; W73-F299 HydrophobicContact CD2-CD2 4.18Å; W73-F299 HydrophobicContact CG-CB 4.22Å; W73-F299 AromaticContact CG-CD2 3.77Å; W73-F299 HydrophobicContact CG-CD2 3.77Å; W73-F299 HydrophobicContact CG-CG 4.48Å
74	E	91.5	Very high	90.8	Very high	67 Å²	67	43.5 Å²	43.5	31%	0.313	23%	0.231	S	C	.	.	H	α-helix	trans	-69.6	-21.8	175.8	-76.6	-64.8	139.6	0	0	113.4	R70 I71 K77 K78	R70-E74 PolarHBondContact O-N 2.87Å; R70-E74 VanDerWaalsContact O-N 3.12Å; I71-E74 PolarHBondContact O-N 3.31Å; E74-K77 WeakPolarHBondContact OE1-CD 3.48Å; E74-K77 IonicContact OE1-NZ 3.49Å; E74-K77 PolarHBondContact OE1-NZ 2.76Å; E74-K77 IonicContact OE2-NZ 2.72Å; E74-K77 PolarHBondContact OE2-NZ 2.64Å; E74-K78 VanDerWaalsContact O-CD 3.28Å; E74-K78 WeakPolarHBondContact O-CD 3.35Å; E74-K78 VanDerWaalsContact O-CG 3.24Å; E74-K78 WeakPolarHBondContact O-CG 3.47Å; E74-K78 PolarHBondContact O-N 3.18Å
75	A	91.2	Very high	91.6	Very high	47 Å²	47	45.7 Å²	45.7	39%	0.388	24%	0.238	S	C	.	.	H	α-helix	trans	-72.1	-55.9	169.5	0	0	0	0	0	111.1	I71 A72 W73 K77 K78 S79	I71-A75 WeakPolarHBondContact O-CB 3.28Å; I71-A75 PolarHBondContact O-N 2.77Å; A72-A75 PolarHBondContact O-N 3.18Å; W73-A75 VanDerWaalsContact C-N 3.27Å; W73-A75 PolarHBondContact O-N 3.37Å; A75-K77 VanDerWaalsContact C-N 3.28Å; A75-K77 PolarHBondContact O-N 3.16Å; A75-K78 WeakPolarHBondContact O-CB 3.36Å; A75-K78 PolarHBondContact O-N 3.44Å; A75-S79 PolarHBondContact O-N 3Å
76	L	93.3	Very high	92	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-52	-45.6	177	177.7	65	0	0	0	111.9	A72 W73 K78 S79 I80 E102 L110	A72-L76 WeakPolarHBondContact O-CB 3.33Å; A72-L76 PolarHBondContact O-N 3.2Å; W73-L76 PolarHBondContact O-N 3.28Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.47Å; L76-S79 PolarHBondContact O-N 2.91Å; L76-I80 HydrophobicContact CD1-CD1 3.65Å; L76-I80 HydrophobicContact CD1-CG1 4.05Å; L76-I80 HydrophobicContact CG-CD1 3.8Å; L76-I80 HydrophobicContact CG-CG1 4.48Å; L76-I80 WeakPolarHBondContact O-CB 3.38Å; L76-I80 WeakPolarHBondContact O-CG1 3.25Å; L76-I80 PolarHBondContact O-N 3.39Å; L76-E102 HydrophobicContact CD1-CB 3.77Å; L76-E102 HydrophobicContact CD1-CG 4.28Å; L76-E102 VanDerWaalsContact CD1-OE2 3.22Å; L76-E102 WeakPolarHBondContact CD1-OE2 3.04Å; L76-L110 HydrophobicContact CD2-CD1 4.46Å
77	K	94.5	Very high	92.3	Very high	85 Å²	85	46.9 Å²	46.9	37%	0.37	24%	0.238	S	C	.	.	H	α-helix	trans	-57.1	-38.6	175.5	177.5	179	162.5	-148	0	113.6	W73 E74 A75 H81 L110	W73-K77 WeakPolarHBondContact O-CB 3.48Å; W73-K77 PolarHBondContact O-N 3.49Å; E74-K77 WeakPolarHBondContact OE1-CD 3.48Å; E74-K77 IonicContact OE1-NZ 3.49Å; E74-K77 PolarHBondContact OE1-NZ 2.76Å; E74-K77 IonicContact OE2-NZ 2.72Å; E74-K77 PolarHBondContact OE2-NZ 2.64Å; A75-K77 VanDerWaalsContact C-N 3.28Å; A75-K77 PolarHBondContact O-N 3.16Å; K77-H81 WeakPolarHBondContact O-CB 3.5Å; K77-H81 PolarHBondContact O-N 2.96Å; K77-L110 HydrophobicContact CB-CD1 3.9Å; K77-L110 HydrophobicContact CB-CD2 4.35Å; K77-L110 HydrophobicContact CD-CD2 4.27Å; K77-L110 HydrophobicContact CG-CD2 4.16Å
78	K	93.4	Very high	92.6	Very high	125 Å²	125	48.5 Å²	48.5	54%	0.543	24%	0.243	S	C	.	.	H	α-helix	trans	-77	-39.4	177.4	-71.4	167.1	-170.1	169.7	0	111.6	E74 A75 L76 G82	E74-K78 VanDerWaalsContact O-CD 3.28Å; E74-K78 WeakPolarHBondContact O-CD 3.35Å; E74-K78 VanDerWaalsContact O-CG 3.24Å; E74-K78 WeakPolarHBondContact O-CG 3.47Å; E74-K78 PolarHBondContact O-N 3.18Å; A75-K78 WeakPolarHBondContact O-CB 3.36Å; A75-K78 PolarHBondContact O-N 3.44Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.47Å; K78-G82 PolarHBondContact O-N 3.11Å
79	S	94.7	Very high	92.9	Very high	32 Å²	32	46.6 Å²	46.6	22%	0.224	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-56.9	178.8	-157	0	0	0	0	111	A75 L76 H81 G82 F83 E102	A75-S79 PolarHBondContact O-N 3Å; L76-S79 PolarHBondContact O-N 2.91Å; S79-H81 VanDerWaalsContact C-N 3.34Å; S79-H81 PolarHBondContact O-N 2.92Å; S79-G82 WeakPolarHBondContact O-CA 3.5Å; S79-G82 PolarHBondContact O-N 3.41Å; S79-F83 WeakPolarHBondContact O-CD2 3.49Å; S79-F83 PolarHBondContact O-N 3.33Å; S79-F83 VanDerWaalsContact OG-CE2 3.25Å; S79-F83 WeakPolarHBondContact OG-CE2 3.25Å; S79-E102 WeakPolarHBondContact CB-OE1 3.27Å; S79-E102 PolarHBondContact OG-OE1 3.38Å
80	I	95.4	Very high	92.9	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-54.1	-46.5	176	-70.6	174.8	0	0	0	111.9	L76 G82 F83 I84 L99 F111	L76-I80 HydrophobicContact CD1-CD1 3.65Å; L76-I80 HydrophobicContact CD1-CG1 4.05Å; L76-I80 HydrophobicContact CG-CD1 3.8Å; L76-I80 HydrophobicContact CG-CG1 4.48Å; L76-I80 WeakPolarHBondContact O-CB 3.38Å; L76-I80 WeakPolarHBondContact O-CG1 3.25Å; L76-I80 PolarHBondContact O-N 3.39Å; I80-G82 VanDerWaalsContact C-N 3.32Å; I80-G82 PolarHBondContact O-N 2.84Å; I80-F83 PolarHBondContact O-N 3.47Å; I80-I84 HydrophobicContact CG2-CD1 3.73Å; I80-I84 WeakPolarHBondContact O-CG1 3.3Å; I80-I84 PolarHBondContact O-N 3.03Å; I80-L99 HydrophobicContact CG1-CD1 4.07Å; I80-F111 HydrophobicContact CG2-CB 4.11Å; I80-F111 HydrophobicContact CG2-CD2 4.13Å
81	H	95.2	Very high	93.1	Very high	83 Å²	83	49.6 Å²	49.6	38%	0.384	27%	0.27	S	S	.	.	H	α-helix	trans	-66.2	-35.2	178.1	-174.9	42.4	0	0	0	112.3	K77 S79 N85	K77-H81 WeakPolarHBondContact O-CB 3.5Å; K77-H81 PolarHBondContact O-N 2.96Å; S79-H81 VanDerWaalsContact C-N 3.34Å; S79-H81 PolarHBondContact O-N 2.92Å; H81-N85 PolarHBondContact CE1-ND2 3.12Å; H81-N85 PolarHBondContact CE1-OD1 3.44Å; H81-N85 PolarHBondContact ND1-OD1 3.33Å; H81-N85 PolarHBondContact NE2-ND2 3.11Å; H81-N85 VanDerWaalsContact NE2-ND2 3.18Å; H81-N85 WeakPolarHBondContact O-CB 3.39Å; H81-N85 PolarHBondContact O-N 3.03Å; H81-N85 PolarHBondContact O-ND2 2.96Å; H81-N85 PolarHBondContact O-OD1 3.42Å
82	G	94.3	Very high	93.3	Very high	29 Å²	29	48.6 Å²	48.6	30%	0.299	27%	0.265	S	S	.	.	H	α-helix	trans	-62.8	-43.8	173.7	0	0	0	0	0	112.8	K78 S79 I80 N85 K86	K78-G82 PolarHBondContact O-N 3.11Å; S79-G82 WeakPolarHBondContact O-CA 3.5Å; S79-G82 PolarHBondContact O-N 3.41Å; I80-G82 VanDerWaalsContact C-N 3.32Å; I80-G82 PolarHBondContact O-N 2.84Å; G82-N85 PolarHBondContact O-N 3.29Å; G82-K86 VanDerWaalsContact O-CG 3.28Å; G82-K86 WeakPolarHBondContact O-CG 3.11Å; G82-K86 PolarHBondContact O-N 2.93Å
83	F	94.6	Very high	93.3	Very high	26 Å²	26	51 Å²	51	11%	0.114	28%	0.28	C	S	.	.	H	α-helix	trans	-64.9	-47.4	176	-64.4	-48	0	0	0	112.2	S79 I80 N85 K86 V87 V95 Q98 L99 E102	S79-F83 WeakPolarHBondContact O-CD2 3.49Å; S79-F83 PolarHBondContact O-N 3.33Å; S79-F83 VanDerWaalsContact OG-CE2 3.25Å; S79-F83 WeakPolarHBondContact OG-CE2 3.25Å; I80-F83 PolarHBondContact O-N 3.47Å; F83-N85 VanDerWaalsContact C-N 3.27Å; F83-N85 PolarHBondContact O-N 3.21Å; F83-K86 PolarHBondContact O-N 3.07Å; F83-V87 PolarHBondContact O-N 3.01Å; F83-V87 VanDerWaalsContact O-N 3.14Å; F83-V95 HydrophobicContact CB-CG1 3.91Å; F83-Q98 HydrophobicContact CD1-CB 4.18Å; F83-Q98 HydrophobicContact CE1-CB 3.58Å; F83-Q98 HydrophobicContact CE1-CG 4.4Å; F83-Q98 VanDerWaalsContact CE1-OE1 3.3Å; F83-Q98 HydrophobicContact CZ-CB 3.79Å; F83-L99 HydrophobicContact CB-CD1 4.37Å; F83-L99 HydrophobicContact CD2-CB 4.4Å; F83-L99 HydrophobicContact CD2-CD1 3.95Å; F83-E102 HydrophobicContact CE2-CG 4.04Å
84	I	95.2	Very high	93.3	Very high	2 Å²	2	55 Å²	55	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-33.3	179.2	-70.1	164.7	0	0	0	112	I80 K86 F111 S114 L115 A118 F129 L132	I80-I84 HydrophobicContact CG2-CD1 3.73Å; I80-I84 WeakPolarHBondContact O-CG1 3.3Å; I80-I84 PolarHBondContact O-N 3.03Å; I84-K86 VanDerWaalsContact C-N 3.32Å; I84-F111 HydrophobicContact CD1-CD2 3.82Å; I84-F111 HydrophobicContact CD1-CE2 4.03Å; I84-F111 HydrophobicContact CG1-CE2 4.38Å; I84-S114 WeakPolarHBondContact CD1-OG 3.37Å; I84-L115 HydrophobicContact CD1-CB 4.16Å; I84-A118 HydrophobicContact CG2-CB 3.62Å; I84-F129 HydrophobicContact CG2-CE1 4.07Å; I84-L132 HydrophobicContact CG1-CD2 4.32Å
85	N	94.4	Very high	93.4	Very high	99 Å²	99	52 Å²	52	53%	0.529	29%	0.286	S	S	.	.	H	α-helix	trans	-78.1	-12.9	175.5	-66	-10.5	0	0	0	113.8	H81 G82 F83	H81-N85 PolarHBondContact CE1-ND2 3.12Å; H81-N85 PolarHBondContact CE1-OD1 3.44Å; H81-N85 PolarHBondContact ND1-OD1 3.33Å; H81-N85 PolarHBondContact NE2-ND2 3.11Å; H81-N85 VanDerWaalsContact NE2-ND2 3.18Å; H81-N85 WeakPolarHBondContact O-CB 3.39Å; H81-N85 PolarHBondContact O-N 3.03Å; H81-N85 PolarHBondContact O-ND2 2.96Å; H81-N85 PolarHBondContact O-OD1 3.42Å; G82-N85 PolarHBondContact O-N 3.29Å; F83-N85 VanDerWaalsContact C-N 3.27Å; F83-N85 PolarHBondContact O-N 3.21Å
86	K	93.9	Very high	93.4	Very high	126 Å²	126	50.3 Å²	50.3	55%	0.548	27%	0.271	S	S	.	.	H	α-helix	trans	-97.1	-21.3	179.4	-80	175.1	171.8	-169.6	0	113.9	G82 F83 I84 N88 N91	G82-K86 VanDerWaalsContact O-CG 3.28Å; G82-K86 WeakPolarHBondContact O-CG 3.11Å; G82-K86 PolarHBondContact O-N 2.93Å; F83-K86 PolarHBondContact O-N 3.07Å; I84-K86 VanDerWaalsContact C-N 3.32Å; K86-N88 PolarHBondContact O-N 3.2Å; K86-N91 PolarHBondContact O-ND2 3.02Å
87	V	93.7	Very high	93.3	Very high	12 Å²	12	56.1 Å²	56.1	7%	0.073	30%	0.296	C	S	.	.			trans	-65.1	130.4	-169.3	78.1	0	0	0	0	111.6	F83 N91 L92 V95 V128 F129 L132	F83-V87 PolarHBondContact O-N 3.01Å; F83-V87 VanDerWaalsContact O-N 3.14Å; V87-N91 WeakPolarHBondContact CA-OD1 3.44Å; V87-L92 HydrophobicContact CG2-CD1 3.7Å; V87-V95 HydrophobicContact CB-CG1 4.15Å; V87-V95 HydrophobicContact CG2-CB 4.32Å; V87-V95 HydrophobicContact CG2-CG1 4.15Å; V87-V128 HydrophobicContact CB-CG1 4.42Å; V87-V128 HydrophobicContact CG1-CG1 4.01Å; V87-V128 HydrophobicContact CG2-CG1 3.81Å; V87-F129 HydrophobicContact CG1-CD1 3.94Å; V87-F129 HydrophobicContact CG1-CE1 3.7Å; V87-L132 HydrophobicContact CG1-CD2 4.34Å; V87-L132 HydrophobicContact CG2-CD2 4.49Å
88	N	92.8	Very high	93.2	Very high	57 Å²	57	54.9 Å²	54.9	31%	0.305	29%	0.292	S	S	.	.			trans	-137.7	-170.8	172.9	70.6	29.7	0	0	0	108.9	K86 S90 N91 L92 V128	K86-N88 PolarHBondContact O-N 3.2Å; N88-S90 PolarHBondContact OD1-N 2.85Å; N88-S90 PolarHBondContact OD1-OG 2.9Å; N88-N91 PolarHBondContact N-OD1 2.99Å; N88-N91 PolarHBondContact OD1-N 3.35Å; N88-N91 PolarHBondContact OD1-OD1 3.21Å; N88-N91 VanDerWaalsContact OD1-OD1 3.13Å; N88-L92 PolarHBondContact O-N 3.44Å; N88-V128 WeakPolarHBondContact O-CG1 3.43Å
89	V	92.7	Very high	93.2	Very high	39 Å²	39	49 Å²	49	24%	0.236	27%	0.266	C	S	.	.	S	Bend	trans	-69	-49.5	-179	-172.8	0	0	0	0	111.6	N91 V128 E270 L271	V89-N91 PolarHBondContact O-N 3.15Å; V89-V128 HydrophobicContact CG2-CG2 3.88Å; V89-E270 HydrophobicContact CG1-CB 3.5Å; V89-E270 HydrophobicContact CG1-CG 4.38Å; V89-E270 WeakPolarHBondContact CG1-OE2 3.48Å; V89-L271 HydrophobicContact CB-CD2 4.47Å; V89-L271 HydrophobicContact CG1-CD2 3.96Å; V89-L271 HydrophobicContact CG1-CG 4.05Å
90	S	91.8	Very high	93	Very high	108 Å²	108	48.1 Å²	48.1	76%	0.755	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-19.7	-173	55	0	0	0	0	115.3	N88	N88-S90 PolarHBondContact OD1-N 2.85Å; N88-S90 PolarHBondContact OD1-OG 2.9Å
91	N	93.1	Very high	92.8	Very high	31 Å²	31	53.4 Å²	53.4	17%	0.166	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	4	179.6	77.5	8.4	0	0	0	114.4	K86 V87 N88 V89 S93 E94 V95	K86-N91 PolarHBondContact O-ND2 3.02Å; V87-N91 WeakPolarHBondContact CA-OD1 3.44Å; N88-N91 PolarHBondContact N-OD1 2.99Å; N88-N91 PolarHBondContact OD1-N 3.35Å; N88-N91 PolarHBondContact OD1-OD1 3.21Å; N88-N91 VanDerWaalsContact OD1-OD1 3.13Å; V89-N91 PolarHBondContact O-N 3.15Å; N91-S93 VanDerWaalsContact C-N 3.29Å; N91-S93 PolarHBondContact O-N 3.33Å; N91-E94 PolarHBondContact O-N 2.72Å; N91-E94 VanDerWaalsContact O-N 3.1Å; N91-V95 HydrophobicContact CB-CG2 4.35Å; N91-V95 WeakPolarHBondContact O-CG2 3.39Å; N91-V95 PolarHBondContact O-N 3.43Å
92	L	91.8	Very high	92.6	Very high	2 Å²	2	52 Å²	52	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-51.1	-47.8	-174.6	177.1	62.3	0	0	0	112	V87 N88 E94 V95 V96 A131 L132 L271 V273	V87-L92 HydrophobicContact CG2-CD1 3.7Å; N88-L92 PolarHBondContact O-N 3.44Å; L92-E94 PolarHBondContact O-N 3.48Å; L92-V95 PolarHBondContact O-N 2.99Å; L92-V96 HydrophobicContact CD1-CG2 4.04Å; L92-V96 HydrophobicContact CG-CG2 4.37Å; L92-V96 WeakPolarHBondContact O-CB 3.4Å; L92-V96 VanDerWaalsContact O-CG2 3.24Å; L92-V96 WeakPolarHBondContact O-CG2 3.34Å; L92-V96 PolarHBondContact O-N 2.94Å; L92-A131 HydrophobicContact CD2-CB 3.6Å; L92-L132 HydrophobicContact CD1-CB 4Å; L92-L132 HydrophobicContact CD1-CD1 4.18Å; L92-L271 HydrophobicContact CD2-CD2 3.65Å; L92-V273 HydrophobicContact CD2-CG2 4.02Å
93	S	90.1	Very high	92.6	Very high	72 Å²	72	51.2 Å²	51.2	50%	0.503	27%	0.268	S	S	.	.	H	α-helix	trans	-64.2	-39.9	-178.9	-51.5	0	0	0	0	113.2	N91 K97	N91-S93 VanDerWaalsContact C-N 3.29Å; N91-S93 PolarHBondContact O-N 3.33Å; S93-K97 WeakPolarHBondContact O-CG 3.33Å; S93-K97 PolarHBondContact O-N 2.7Å
94	E	91.4	Very high	92.5	Very high	111 Å²	111	50 Å²	50	52%	0.519	26%	0.262	S	S	.	.	H	α-helix	trans	-66.1	-46.8	176.1	-168.8	-153.7	146.3	0	0	110.8	N91 L92 V96 K97 Q98	N91-E94 PolarHBondContact O-N 2.72Å; N91-E94 VanDerWaalsContact O-N 3.1Å; L92-E94 PolarHBondContact O-N 3.48Å; E94-V96 VanDerWaalsContact C-N 3.32Å; E94-V96 PolarHBondContact O-N 3.36Å; E94-K97 PolarHBondContact O-N 3.19Å; E94-Q98 WeakPolarHBondContact O-CG 3.43Å; E94-Q98 PolarHBondContact O-N 3.24Å; E94-Q98 PolarHBondContact OE1-NE2 3.1Å
95	V	93.4	Very high	92.4	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.018	28%	0.282	C	S	.	.	H	α-helix	trans	-65.8	-35.4	179.3	176.8	0	0	0	0	111.2	F83 V87 N91 L92 L99	F83-V95 HydrophobicContact CB-CG1 3.91Å; V87-V95 HydrophobicContact CB-CG1 4.15Å; V87-V95 HydrophobicContact CG2-CB 4.32Å; V87-V95 HydrophobicContact CG2-CG1 4.15Å; N91-V95 HydrophobicContact CB-CG2 4.35Å; N91-V95 WeakPolarHBondContact O-CG2 3.39Å; N91-V95 PolarHBondContact O-N 3.43Å; L92-V95 PolarHBondContact O-N 2.99Å; V95-L99 WeakPolarHBondContact O-CB 3.22Å; V95-L99 PolarHBondContact O-N 3.37Å
96	V	92	Very high	92.3	Very high	13 Å²	13	51.1 Å²	51.1	8%	0.079	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-50.9	171.5	160.6	0	0	0	0	111.1	L92 E94 Q98 L99 L100 L132 V135	L92-V96 HydrophobicContact CD1-CG2 4.04Å; L92-V96 HydrophobicContact CG-CG2 4.37Å; L92-V96 WeakPolarHBondContact O-CB 3.4Å; L92-V96 VanDerWaalsContact O-CG2 3.24Å; L92-V96 WeakPolarHBondContact O-CG2 3.34Å; L92-V96 PolarHBondContact O-N 2.94Å; E94-V96 VanDerWaalsContact C-N 3.32Å; E94-V96 PolarHBondContact O-N 3.36Å; V96-Q98 VanDerWaalsContact C-N 3.33Å; V96-Q98 PolarHBondContact O-N 3.43Å; V96-L99 PolarHBondContact O-N 3.19Å; V96-L100 HydrophobicContact CG1-CD1 3.76Å; V96-L100 HydrophobicContact CG1-CG 4.38Å; V96-L100 WeakPolarHBondContact O-CG 3.32Å; V96-L100 PolarHBondContact O-N 2.93Å; V96-L132 HydrophobicContact CG2-CD1 3.7Å; V96-V135 HydrophobicContact CG1-CB 4.44Å; V96-V135 HydrophobicContact CG1-CG1 3.67Å; V96-V135 HydrophobicContact CG2-CB 4.25Å; V96-V135 HydrophobicContact CG2-CG1 4.35Å; V96-V135 HydrophobicContact CG2-CG2 4.5Å
97	K	91.4	Very high	92.3	Very high	122 Å²	122	45.1 Å²	45.1	53%	0.53	24%	0.241	S	C	.	.	H	α-helix	trans	-55.8	-49.6	177.7	-72.2	-165.8	175.8	-163.9	0	110.4	S93 E94 L99 L100 M101 F320	S93-K97 WeakPolarHBondContact O-CG 3.33Å; S93-K97 PolarHBondContact O-N 2.7Å; E94-K97 PolarHBondContact O-N 3.19Å; K97-L99 PolarHBondContact O-N 3.25Å; K97-L100 PolarHBondContact O-N 3Å; K97-M101 WeakPolarHBondContact O-CG 3.45Å; K97-M101 PolarHBondContact O-N 2.94Å; K97-F320 HydrophobicContact CB-CE1 4.27Å; K97-F320 HydrophobicContact CD-CE1 4.48Å; K97-F320 HydrophobicContact CG-CE1 4.11Å
98	Q	92.2	Very high	92.3	Very high	59 Å²	59	47.4 Å²	47.4	28%	0.276	25%	0.248	S	C	.	.	H	α-helix	trans	-63.5	-36	178.6	-68.4	172.7	12.8	0	0	113.4	F83 E94 V96	F83-Q98 HydrophobicContact CD1-CB 4.18Å; F83-Q98 HydrophobicContact CE1-CB 3.58Å; F83-Q98 HydrophobicContact CE1-CG 4.4Å; F83-Q98 VanDerWaalsContact CE1-OE1 3.3Å; F83-Q98 HydrophobicContact CZ-CB 3.79Å; E94-Q98 WeakPolarHBondContact O-CG 3.43Å; E94-Q98 PolarHBondContact O-N 3.24Å; E94-Q98 PolarHBondContact OE1-NE2 3.1Å; V96-Q98 VanDerWaalsContact C-N 3.33Å; V96-Q98 PolarHBondContact O-N 3.43Å
99	L	93.2	Very high	92.4	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-71.2	-37.2	177.9	-177.6	69.2	0	0	0	112.4	I80 F83 V95 V96 K97 M101 E102 I104 F111 L132 V136	I80-L99 HydrophobicContact CG1-CD1 4.07Å; F83-L99 HydrophobicContact CB-CD1 4.37Å; F83-L99 HydrophobicContact CD2-CB 4.4Å; F83-L99 HydrophobicContact CD2-CD1 3.95Å; V95-L99 WeakPolarHBondContact O-CB 3.22Å; V95-L99 PolarHBondContact O-N 3.37Å; V96-L99 PolarHBondContact O-N 3.19Å; K97-L99 PolarHBondContact O-N 3.25Å; L99-M101 VanDerWaalsContact C-N 3.28Å; L99-M101 PolarHBondContact O-N 3.38Å; L99-E102 PolarHBondContact O-N 3.03Å; L99-I104 HydrophobicContact CD2-CD1 4.4Å; L99-I104 HydrophobicContact CG-CD1 3.95Å; L99-I104 HydrophobicContact CG-CG1 4.41Å; L99-I104 WeakPolarHBondContact O-CG1 3.47Å; L99-F111 HydrophobicContact CD1-CD2 4.46Å; L99-F111 HydrophobicContact CD2-CD2 4.15Å; L99-F111 HydrophobicContact CD2-CE2 3.66Å; L99-L132 HydrophobicContact CD2-CD1 3.96Å; L99-V136 HydrophobicContact CD2-CG2 4Å
100	L	91.4	Very high	92.5	Very high	14 Å²	14	43.6 Å²	43.6	7%	0.073	23%	0.226	C	C	.	.	H	α-helix	trans	-67.3	-26.9	177.9	-71.3	168.7	0	0	0	112.7	V96 K97 E102 I104 F140 Y312 F320	V96-L100 HydrophobicContact CG1-CD1 3.76Å; V96-L100 HydrophobicContact CG1-CG 4.38Å; V96-L100 WeakPolarHBondContact O-CG 3.32Å; V96-L100 PolarHBondContact O-N 2.93Å; K97-L100 PolarHBondContact O-N 3Å; L100-E102 VanDerWaalsContact C-N 3.28Å; L100-E102 PolarHBondContact O-N 2.87Å; L100-I104 HydrophobicContact CD2-CD1 3.91Å; L100-F140 HydrophobicContact CD2-CD2 4.4Å; L100-F140 HydrophobicContact CD2-CE2 3.86Å; L100-Y312 WeakPolarHBondContact O-CE1 3.36Å; L100-Y312 PolarHBondContact O-OH 2.85Å; L100-F320 HydrophobicContact CB-CZ 4.09Å
101	M	90.9	Very high	92.8	Very high	112 Å²	112	38.5 Å²	38.5	55%	0.552	19%	0.191	S	C	*	.	H	α-helix	trans	-66.3	-27.6	175.2	-65	172.5	82.3	0	0	113.6	K97 L99 F320	K97-M101 WeakPolarHBondContact O-CG 3.45Å; K97-M101 PolarHBondContact O-N 2.94Å; L99-M101 VanDerWaalsContact C-N 3.28Å; L99-M101 PolarHBondContact O-N 3.38Å; M101-F320 HydrophobicContact CG-CE2 4.1Å; M101-F320 HydrophobicContact CG-CZ 4.24Å
102	E	91.2	Very high	92.9	Very high	55 Å²	55	37 Å²	37	26%	0.257	18%	0.183	S	C	.	.	S	Bend	trans	-80.9	151.3	173.6	-72.6	-76.3	-172.8	0	0	111	L76 S79 F83 L99 L100 I104 Y312	L76-E102 HydrophobicContact CD1-CB 3.77Å; L76-E102 HydrophobicContact CD1-CG 4.28Å; L76-E102 VanDerWaalsContact CD1-OE2 3.22Å; L76-E102 WeakPolarHBondContact CD1-OE2 3.04Å; S79-E102 WeakPolarHBondContact CB-OE1 3.27Å; S79-E102 PolarHBondContact OG-OE1 3.38Å; F83-E102 HydrophobicContact CE2-CG 4.04Å; L99-E102 PolarHBondContact O-N 3.03Å; L100-E102 VanDerWaalsContact C-N 3.28Å; L100-E102 PolarHBondContact O-N 2.87Å; E102-I104 PolarHBondContact O-N 3.34Å; E102-Y312 WeakPolarHBondContact O-CE1 3.43Å; E102-Y312 PolarHBondContact O-OH 3.38Å
103	N	92.7	Very high	93.1	Very high	12 Å²	12	43 Å²	43	6%	0.064	21%	0.205	C	C	.	.			trans	-72.4	85	179.5	-169.7	-21.7	0	0	0	112.2	V105 R106 G107 E309 Y312	N103-V105 VanDerWaalsContact C-N 3.3Å; N103-V105 PolarHBondContact O-N 3.18Å; N103-V105 PolarHBondContact OD1-N 3.18Å; N103-R106 HydrophobicContact CB-CB 4.17Å; N103-R106 VanDerWaalsContact CG-CB 3.47Å; N103-R106 WeakPolarHBondContact OD1-CB 3.21Å; N103-R106 PolarHBondContact OD1-N 2.75Å; N103-G107 WeakPolarHBondContact O-CA 3.06Å; N103-G107 PolarHBondContact O-N 2.94Å; N103-E309 PolarHBondContact ND2-OE1 3.38Å; N103-Y312 HydrophobicContact CB-CD1 3.94Å; N103-Y312 HydrophobicContact CB-CD2 4.42Å; N103-Y312 HydrophobicContact CB-CE1 4.33Å; N103-Y312 HydrophobicContact CB-CG 4.01Å; N103-Y312 VanDerWaalsContact OD1-CD2 3.25Å; N103-Y312 WeakPolarHBondContact OD1-CD2 3.42Å
104	I	93.1	Very high	93.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-33.5	177.6	-56.9	177.3	0	0	0	111.2	L99 L100 E102 G107 R108 V136 F140 V143	L99-I104 HydrophobicContact CD2-CD1 4.4Å; L99-I104 HydrophobicContact CG-CD1 3.95Å; L99-I104 HydrophobicContact CG-CG1 4.41Å; L99-I104 WeakPolarHBondContact O-CG1 3.47Å; L100-I104 HydrophobicContact CD2-CD1 3.91Å; E102-I104 PolarHBondContact O-N 3.34Å; I104-G107 CarbonylContact O-C 3.15Å; I104-G107 VanDerWaalsContact O-C 3.29Å; I104-G107 PolarHBondContact O-N 3.2Å; I104-R108 VanDerWaalsContact O-CA 3.28Å; I104-R108 WeakPolarHBondContact O-CA 3.39Å; I104-R108 WeakPolarHBondContact O-CB 3.39Å; I104-R108 PolarHBondContact O-N 3.36Å; I104-V136 HydrophobicContact CD1-CG2 4.43Å; I104-V136 HydrophobicContact CG2-CG1 4.23Å; I104-F140 HydrophobicContact CD1-CD2 4.46Å; I104-F140 HydrophobicContact CD1-CE2 4.31Å; I104-V143 HydrophobicContact CG2-CG1 4.48Å; I104-V143 HydrophobicContact CG2-CG2 4.14Å
105	V	93.1	Very high	93.6	Very high	70 Å²	70	35 Å²	35	42%	0.424	16%	0.162	S	C	.	.	H	α-helix	trans	-64.5	-48.1	-179	172.6	0	0	0	0	110.9	N103 G107 R108 F140 Y312	N103-V105 VanDerWaalsContact C-N 3.3Å; N103-V105 PolarHBondContact O-N 3.18Å; N103-V105 PolarHBondContact OD1-N 3.18Å; V105-G107 VanDerWaalsContact C-N 3.34Å; V105-R108 WeakPolarHBondContact O-CG 3.44Å; V105-F140 HydrophobicContact CG2-CD1 3.73Å; V105-F140 HydrophobicContact CG2-CE1 3.64Å; V105-F140 HydrophobicContact CG2-CZ 4.4Å; V105-Y312 HydrophobicContact CB-CD2 4.08Å; V105-Y312 HydrophobicContact CB-CE2 4.3Å; V105-Y312 HydrophobicContact CG2-CD2 3.97Å; V105-Y312 HydrophobicContact CG2-CE2 3.91Å
106	R	92.8	Very high	93.7	Very high	55 Å²	55	35.2 Å²	35.2	21%	0.208	16%	0.162	C	C	.	.	H	α-helix	trans	-64.2	-41.2	170.2	-170.1	-175.1	79.6	-161.7	3.5	111	A72 W73 N103 R108 F305 E309	A72-R106 PolarHBondContact O-NH2 3.24Å; W73-R106 HydrophobicContact CZ3-CG 4.23Å; N103-R106 HydrophobicContact CB-CB 4.17Å; N103-R106 VanDerWaalsContact CG-CB 3.47Å; N103-R106 WeakPolarHBondContact OD1-CB 3.21Å; N103-R106 PolarHBondContact OD1-N 2.75Å; R106-R108 VanDerWaalsContact C-N 3.32Å; R106-R108 PolarHBondContact O-N 3.22Å; R106-F305 VanDerWaalsContact NH1-CE2 3.31Å; R106-E309 IonicContact CZ-OE1 2.76Å; R106-E309 IonicContact CZ-OE2 3.95Å; R106-E309 IonicContact NH1-OE1 3.34Å; R106-E309 PolarHBondContact NH1-OE1 3.47Å; R106-E309 IonicContact NH1-OE2 3.43Å; R106-E309 PolarHBondContact NH1-OE2 3.02Å
107	G	93	Very high	93.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-77	-1.4	-178.2	0	0	0	0	0	116	N103 I104 V105 G109 L110 F111	N103-G107 WeakPolarHBondContact O-CA 3.06Å; N103-G107 PolarHBondContact O-N 2.94Å; I104-G107 CarbonylContact O-C 3.15Å; I104-G107 VanDerWaalsContact O-C 3.29Å; I104-G107 PolarHBondContact O-N 3.2Å; V105-G107 VanDerWaalsContact C-N 3.34Å; G107-G109 VanDerWaalsContact C-N 3.29Å; G107-G109 PolarHBondContact O-N 3.27Å; G107-G109 VanDerWaalsContact O-N 3.11Å; G107-L110 CarbonylContact O-C 3.54Å; G107-L110 WeakPolarHBondContact O-CA 3.4Å; G107-L110 VanDerWaalsContact O-CB 3.3Å; G107-L110 WeakPolarHBondContact O-CB 3.44Å; G107-L110 PolarHBondContact O-N 2.87Å; G107-F111 PolarHBondContact O-N 2.69Å
108	R	94.7	Very high	94.1	Very high	59 Å²	59	32.2 Å²	32.2	22%	0.223	16%	0.156	C	C	.	.	H	α-helix	trans	-57.7	-37.6	-163.6	68.1	-175.4	-178.3	106	7.1	113.9	I104 V105 R106 V112 V143 L146 E293 L296	I104-R108 VanDerWaalsContact O-CA 3.28Å; I104-R108 WeakPolarHBondContact O-CA 3.39Å; I104-R108 WeakPolarHBondContact O-CB 3.39Å; I104-R108 PolarHBondContact O-N 3.36Å; V105-R108 WeakPolarHBondContact O-CG 3.44Å; R106-R108 VanDerWaalsContact C-N 3.32Å; R106-R108 PolarHBondContact O-N 3.22Å; R108-V112 WeakPolarHBondContact O-CG2 3.21Å; R108-V112 PolarHBondContact O-N 3.22Å; R108-V112 VanDerWaalsContact O-N 3.12Å; R108-V143 HydrophobicContact CB-CG2 4.04Å; R108-L146 HydrophobicContact CB-CD2 4.26Å; R108-L146 HydrophobicContact CG-CD2 4Å; R108-E293 IonicContact CZ-OE2 2.62Å; R108-E293 VanDerWaalsContact CZ-OE2 3.25Å; R108-E293 IonicContact NH1-OE1 2.71Å; R108-E293 IonicContact NH1-OE2 2.67Å; R108-E293 PolarHBondContact NH1-OE2 3.4Å; R108-E293 IonicContact NH2-OE2 3.65Å; R108-E293 PolarHBondContact NH2-OE2 3.4Å; R108-L296 HydrophobicContact CG-CD1 4.14Å; R108-L296 VanDerWaalsContact CZ-CD1 3.46Å
109	G	95	Very high	94.2	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-63.4	-42.9	173.1	0	0	0	0	0	113.3	G107 R113 R150 N297	G107-G109 VanDerWaalsContact C-N 3.29Å; G107-G109 PolarHBondContact O-N 3.27Å; G107-G109 VanDerWaalsContact O-N 3.11Å; G109-R113 WeakPolarHBondContact O-CB 3.48Å; G109-R113 PolarHBondContact O-N 3.32Å; G109-R150 PolarHBondContact O-NH1 3.38Å; G109-N297 VanDerWaalsContact C-OD1 3.27Å; G109-N297 WeakPolarHBondContact CA-OD1 3.44Å; G109-N297 PolarHBondContact O-OD1 3.21Å
110	L	95.1	Very high	94.2	Very high	15 Å²	15	32.1 Å²	32.1	8%	0.079	16%	0.162	C	C	.	.	H	α-helix	trans	-67.5	-45.3	178.4	-58.1	171.8	0	0	0	111.9	W73 L76 K77 G107 R113 S114	W73-L110 HydrophobicContact CD2-CD1 4.04Å; W73-L110 HydrophobicContact CE3-CD1 4.24Å; W73-L110 HydrophobicContact CH2-CD1 3.93Å; W73-L110 HydrophobicContact CH2-CD2 4.47Å; W73-L110 HydrophobicContact CH2-CG 3.97Å; W73-L110 HydrophobicContact CZ2-CD1 3.71Å; W73-L110 HydrophobicContact CZ2-CD2 3.69Å; W73-L110 HydrophobicContact CZ2-CG 3.67Å; W73-L110 HydrophobicContact CZ3-CD1 4.19Å; L76-L110 HydrophobicContact CD2-CD1 4.46Å; K77-L110 HydrophobicContact CB-CD1 3.9Å; K77-L110 HydrophobicContact CB-CD2 4.35Å; K77-L110 HydrophobicContact CD-CD2 4.27Å; K77-L110 HydrophobicContact CG-CD2 4.16Å; G107-L110 CarbonylContact O-C 3.54Å; G107-L110 WeakPolarHBondContact O-CA 3.4Å; G107-L110 VanDerWaalsContact O-CB 3.3Å; G107-L110 WeakPolarHBondContact O-CB 3.44Å; G107-L110 PolarHBondContact O-N 2.87Å; L110-R113 PolarHBondContact O-N 3.19Å; L110-S114 WeakPolarHBondContact O-CB 3.43Å; L110-S114 PolarHBondContact O-N 2.88Å; L110-S114 PolarHBondContact O-OG 3.13Å
111	F	96.3	Very high	94.4	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-55.9	-58.9	175.4	173.4	-102.8	0	0	0	110.5	I80 I84 L99 G107 R113 S114 L115 L132 V136 V143	I80-F111 HydrophobicContact CG2-CB 4.11Å; I80-F111 HydrophobicContact CG2-CD2 4.13Å; I84-F111 HydrophobicContact CD1-CD2 3.82Å; I84-F111 HydrophobicContact CD1-CE2 4.03Å; I84-F111 HydrophobicContact CG1-CE2 4.38Å; L99-F111 HydrophobicContact CD1-CD2 4.46Å; L99-F111 HydrophobicContact CD2-CD2 4.15Å; L99-F111 HydrophobicContact CD2-CE2 3.66Å; G107-F111 PolarHBondContact O-N 2.69Å; F111-R113 VanDerWaalsContact C-N 3.28Å; F111-R113 PolarHBondContact O-N 2.95Å; F111-S114 PolarHBondContact O-N 3.09Å; F111-S114 PolarHBondContact O-OG 3.48Å; F111-S114 VanDerWaalsContact O-OG 3.08Å; F111-L115 HydrophobicContact CE1-CD2 4.07Å; F111-L115 HydrophobicContact CZ-CD2 4.18Å; F111-L115 WeakPolarHBondContact O-CB 3.44Å; F111-L115 PolarHBondContact O-N 2.75Å; F111-L132 HydrophobicContact CE2-CD2 4.41Å; F111-V136 HydrophobicContact CE1-CG1 4.06Å; F111-V136 HydrophobicContact CE2-CG2 4.49Å; F111-V136 HydrophobicContact CZ-CB 4.37Å; F111-V136 HydrophobicContact CZ-CG1 4.3Å; F111-V136 HydrophobicContact CZ-CG2 4.05Å; F111-V143 HydrophobicContact CD1-CG1 3.54Å; F111-V143 HydrophobicContact CE1-CG1 3.81Å
112	V	96.6	Very high	94.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-35.5	-178.6	-177	0	0	0	0	111.6	R108 L116 V143 L146 V147 R150	R108-V112 WeakPolarHBondContact O-CG2 3.21Å; R108-V112 PolarHBondContact O-N 3.22Å; R108-V112 VanDerWaalsContact O-N 3.12Å; V112-L116 HydrophobicContact CG1-CD1 3.75Å; V112-L116 HydrophobicContact CG1-CG 4.16Å; V112-L116 WeakPolarHBondContact O-CB 3.19Å; V112-L116 WeakPolarHBondContact O-CG 3.37Å; V112-L116 PolarHBondContact O-N 2.81Å; V112-V143 HydrophobicContact CG2-CG1 4.2Å; V112-L146 HydrophobicContact CG2-CB 4.35Å; V112-L146 HydrophobicContact CG2-CD2 4.17Å; V112-L146 HydrophobicContact CG2-CG 4.11Å; V112-V147 HydrophobicContact CB-CG2 4.33Å; V112-V147 HydrophobicContact CG1-CB 4.36Å; V112-V147 HydrophobicContact CG1-CG2 3.94Å; V112-V147 HydrophobicContact CG2-CG2 3.56Å; V112-R150 HydrophobicContact CG1-CB 4.33Å; V112-R150 VanDerWaalsContact CG1-CD 3.5Å; V112-R150 HydrophobicContact CG1-CG 4.48Å
113	R	95.3	Very high	94.5	Very high	127 Å²	127	31.6 Å²	31.6	48%	0.479	18%	0.18	S	C	.	.	H	α-helix	trans	-68.1	-41.5	178.1	179.2	57.7	-170.3	142	5.6	112.9	G109 L110 F111 T117	G109-R113 WeakPolarHBondContact O-CB 3.48Å; G109-R113 PolarHBondContact O-N 3.32Å; L110-R113 PolarHBondContact O-N 3.19Å; F111-R113 VanDerWaalsContact C-N 3.28Å; F111-R113 PolarHBondContact O-N 2.95Å; R113-T117 PolarHBondContact NH1-OG1 2.95Å; R113-T117 WeakPolarHBondContact O-CB 3.42Å; R113-T117 PolarHBondContact O-N 2.88Å; R113-T117 PolarHBondContact O-OG1 3.1Å
114	S	95.7	Very high	94.6	Very high	16 Å²	16	35 Å²	35	11%	0.112	20%	0.202	C	C	.	.	H	α-helix	trans	-73	-41.6	179.2	49.4	0	0	0	0	111.5	I84 L110 F111 T117 A118	I84-S114 WeakPolarHBondContact CD1-OG 3.37Å; L110-S114 WeakPolarHBondContact O-CB 3.43Å; L110-S114 PolarHBondContact O-N 2.88Å; L110-S114 PolarHBondContact O-OG 3.13Å; F111-S114 PolarHBondContact O-N 3.09Å; F111-S114 PolarHBondContact O-OG 3.48Å; F111-S114 VanDerWaalsContact O-OG 3.08Å; S114-T117 PolarHBondContact O-N 2.76Å; S114-A118 WeakPolarHBondContact O-CB 3.38Å; S114-A118 PolarHBondContact O-N 3.25Å
115	L	96.7	Very high	94.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-55.1	-53.3	172.6	-180	75.5	0	0	0	112.5	I84 F111 T117 A118 Q119 F129 V133 V147 F173	I84-L115 HydrophobicContact CD1-CB 4.16Å; F111-L115 HydrophobicContact CE1-CD2 4.07Å; F111-L115 HydrophobicContact CZ-CD2 4.18Å; F111-L115 WeakPolarHBondContact O-CB 3.44Å; F111-L115 PolarHBondContact O-N 2.75Å; L115-T117 PolarHBondContact O-N 3.17Å; L115-A118 PolarHBondContact O-N 2.89Å; L115-Q119 WeakPolarHBondContact O-CB 3.44Å; L115-Q119 PolarHBondContact O-N 2.93Å; L115-F129 HydrophobicContact CD1-CB 4.05Å; L115-F129 HydrophobicContact CD1-CD1 3.91Å; L115-F129 HydrophobicContact CD1-CG 4.23Å; L115-V133 HydrophobicContact CD1-CG2 4.4Å; L115-V133 HydrophobicContact CD2-CG2 3.37Å; L115-V133 HydrophobicContact CG-CG2 4.46Å; L115-V147 HydrophobicContact CD2-CG1 4.49Å; L115-V147 HydrophobicContact CD2-CG2 3.99Å; L115-F173 HydrophobicContact CD1-CZ 4.42Å; L115-F173 HydrophobicContact CD2-CE1 4.39Å; L115-F173 HydrophobicContact CD2-CZ 4.03Å; L115-F173 HydrophobicContact CG-CE1 4.28Å; L115-F173 HydrophobicContact CG-CZ 4.11Å
116	L	95.6	Very high	94.7	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-33.8	177.8	-70.1	172.2	0	0	0	112.4	V112 S120 R150 L151 F173	V112-L116 HydrophobicContact CG1-CD1 3.75Å; V112-L116 HydrophobicContact CG1-CG 4.16Å; V112-L116 WeakPolarHBondContact O-CB 3.19Å; V112-L116 WeakPolarHBondContact O-CG 3.37Å; V112-L116 PolarHBondContact O-N 2.81Å; L116-S120 WeakPolarHBondContact O-CB 3.49Å; L116-S120 PolarHBondContact O-N 2.97Å; L116-S120 PolarHBondContact O-OG 3.37Å; L116-R150 HydrophobicContact CD1-CB 3.7Å; L116-L151 HydrophobicContact CD2-CD2 3.33Å; L116-L151 HydrophobicContact CD2-CG 3.82Å; L116-F173 HydrophobicContact CD2-CD1 4.19Å; L116-F173 HydrophobicContact CD2-CE1 4.06Å
117	T	95.3	Very high	94.8	Very high	61 Å²	61	35.9 Å²	35.9	37%	0.374	20%	0.202	S	C	.	.	H	α-helix	trans	-70.9	-41	177	-54.5	0	0	0	0	111.3	R113 S114 L115 A121	R113-T117 PolarHBondContact NH1-OG1 2.95Å; R113-T117 WeakPolarHBondContact O-CB 3.42Å; R113-T117 PolarHBondContact O-N 2.88Å; R113-T117 PolarHBondContact O-OG1 3.1Å; S114-T117 PolarHBondContact O-N 2.76Å; L115-T117 PolarHBondContact O-N 3.17Å; T117-A121 PolarHBondContact O-N 2.83Å
118	A	95.4	Very high	94.9	Very high	12 Å²	12	35.9 Å²	35.9	10%	0.099	20%	0.202	C	C	.	.	H	α-helix	trans	-67.7	-45.7	177	0	0	0	0	0	112	I84 S114 L115 S120 A121 S122 F129	I84-A118 HydrophobicContact CG2-CB 3.62Å; S114-A118 WeakPolarHBondContact O-CB 3.38Å; S114-A118 PolarHBondContact O-N 3.25Å; L115-A118 PolarHBondContact O-N 2.89Å; A118-S120 PolarHBondContact O-N 3.27Å; A118-A121 PolarHBondContact O-N 3.43Å; A118-S122 PolarHBondContact O-N 3.4Å; A118-F129 HydrophobicContact CB-CE1 4.28Å; A118-F129 HydrophobicContact CB-CZ 3.9Å
119	Q	95.4	Very high	95	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.3	-37.8	177.3	-170.7	-82.2	-25.5	0	0	112	L115 A121 S122 P123 T126 F129 S169 F173	L115-Q119 WeakPolarHBondContact O-CB 3.44Å; L115-Q119 PolarHBondContact O-N 2.93Å; Q119-A121 VanDerWaalsContact C-N 3.28Å; Q119-A121 PolarHBondContact O-N 2.91Å; Q119-S122 CarbonylContact O-C 3.47Å; Q119-S122 PolarHBondContact O-N 3.47Å; Q119-P123 WeakPolarHBondContact O-CA 3.45Å; Q119-T126 HydrophobicContact CG-CG2 3.96Å; Q119-T126 PolarHBondContact NE2-OG1 3.42Å; Q119-F129 HydrophobicContact CB-CD2 3.7Å; Q119-F129 HydrophobicContact CB-CE2 4.1Å; Q119-F129 HydrophobicContact CB-CG 4.4Å; Q119-F129 HydrophobicContact CG-CD2 3.88Å; Q119-S169 PolarHBondContact NE2-O 2.65Å; Q119-S169 PolarHBondContact NE2-OG 2.9Å; Q119-S169 PolarHBondContact OE1-OG 3.04Å; Q119-F173 HydrophobicContact CB-CD1 4.01Å; Q119-F173 HydrophobicContact CB-CE1 3.94Å; Q119-F173 HydrophobicContact CG-CB 4.38Å; Q119-F173 HydrophobicContact CG-CD1 3.55Å; Q119-F173 HydrophobicContact CG-CE1 3.89Å; Q119-F173 HydrophobicContact CG-CG 3.94Å
120	S	93.7	Very high	95	Very high	57 Å²	57	33.4 Å²	33.4	40%	0.399	19%	0.192	S	C	.	.	H	α-helix	trans	-64.6	-29.7	173.9	-65.7	0	0	0	0	113.6	L116 A118	L116-S120 WeakPolarHBondContact O-CB 3.49Å; L116-S120 PolarHBondContact O-N 2.97Å; L116-S120 PolarHBondContact O-OG 3.37Å; A118-S120 PolarHBondContact O-N 3.27Å
121	A	94.3	Very high	95	Very high	77 Å²	77	32.7 Å²	32.7	64%	0.636	19%	0.189	S	C	*	.	H	α-helix	trans	-84.8	-34.5	176.9	0	0	0	0	0	112.7	T117 A118 Q119	T117-A121 PolarHBondContact O-N 2.83Å; A118-A121 PolarHBondContact O-N 3.43Å; Q119-A121 VanDerWaalsContact C-N 3.28Å; Q119-A121 PolarHBondContact O-N 2.91Å
122	S	93.6	Very high	95	Very high	51 Å²	51	32.7 Å²	32.7	36%	0.357	19%	0.189	S	C	.	.			trans	-131	64.2	-171.2	-57.2	0	0	0	0	112.1	A118 Q119 T124 F125	A118-S122 PolarHBondContact O-N 3.4Å; Q119-S122 CarbonylContact O-C 3.47Å; Q119-S122 PolarHBondContact O-N 3.47Å; S122-T124 PolarHBondContact O-N 3.45Å; S122-F125 PolarHBondContact O-N 3.36Å; S122-F125 VanDerWaalsContact O-N 3.12Å
123	P	91.8	Very high	95	Very high	42 Å²	42	32.8 Å²	32.8	27%	0.273	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-66	-8.9	-175	26.8	-35.9	0	0	0	114.2	Q119 F125 T126	Q119-P123 WeakPolarHBondContact O-CA 3.45Å; P123-F125 VanDerWaalsContact C-N 3.31Å; P123-T126 WeakPolarHBondContact CA-OG1 3.17Å; P123-T126 WeakPolarHBondContact O-CB 3.37Å; P123-T126 PolarHBondContact O-N 3.12Å; P123-T126 PolarHBondContact O-OG1 2.96Å
124	T	93.2	Very high	95	Very high	85 Å²	85	26.9 Å²	26.9	52%	0.521	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-59	-40.1	169.3	47.4	0	0	0	0	112.3	S122 T126 H127	S122-T124 PolarHBondContact O-N 3.45Å; T124-T126 VanDerWaalsContact C-N 3.31Å; T124-T126 PolarHBondContact O-N 3.44Å; T124-H127 PolarHBondContact O-CE1 2.88Å; T124-H127 PolarHBondContact O-ND1 2.88Å
125	F	94.1	Very high	94.9	Very high	96 Å²	96	27 Å²	27	42%	0.421	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-89.8	13.3	-176.8	-59	-75.2	0	0	0	113.6	S122 P123 H127 V128 F129	S122-F125 PolarHBondContact O-N 3.36Å; S122-F125 VanDerWaalsContact O-N 3.12Å; P123-F125 VanDerWaalsContact C-N 3.31Å; F125-H127 PolarHBondContact O-N 3.05Å; F125-H127 VanDerWaalsContact O-N 3.14Å; F125-V128 HydrophobicContact CD1-CG2 4.49Å; F125-V128 WeakPolarHBondContact O-CB 3.42Å; F125-V128 PolarHBondContact O-N 3.37Å; F125-F129 HydrophobicContact CB-CD2 4.22Å; F125-F129 HydrophobicContact CB-CE2 3.81Å; F125-F129 HydrophobicContact CB-CZ 4.25Å; F125-F129 WeakPolarHBondContact O-CD2 3.21Å; F125-F129 PolarHBondContact O-N 3.03Å
126	T	95.6	Very high	94.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-55.2	-35.6	-177.6	-54	0	0	0	0	112.9	Q119 P123 T124 F129 S130 R172 F173 H176	Q119-T126 HydrophobicContact CG-CG2 3.96Å; Q119-T126 PolarHBondContact NE2-OG1 3.42Å; P123-T126 WeakPolarHBondContact CA-OG1 3.17Å; P123-T126 WeakPolarHBondContact O-CB 3.37Å; P123-T126 PolarHBondContact O-N 3.12Å; P123-T126 PolarHBondContact O-OG1 2.96Å; T124-T126 VanDerWaalsContact C-N 3.31Å; T124-T126 PolarHBondContact O-N 3.44Å; T126-F129 PolarHBondContact O-N 2.86Å; T126-S130 PolarHBondContact O-N 2.87Å; T126-S130 PolarHBondContact O-OG 3.37Å; T126-R172 HydrophobicContact CG2-CG 4.27Å; T126-F173 VanDerWaalsContact CG2-CA 3.45Å; T126-F173 HydrophobicContact CG2-CB 3.86Å; T126-F173 HydrophobicContact CG2-CD2 3.79Å; T126-F173 HydrophobicContact CG2-CG 3.96Å; T126-H176 HydrophobicContact CG2-CB 4.31Å
127	H	94.8	Very high	94.8	Very high	46 Å²	46	26.9 Å²	26.9	21%	0.213	17%	0.168	C	C	.	.	H	α-helix	trans	-63.3	-40	175.8	56.4	-81.5	0	0	0	112.6	T124 F125 S130 A131	T124-H127 PolarHBondContact O-CE1 2.88Å; T124-H127 PolarHBondContact O-ND1 2.88Å; F125-H127 PolarHBondContact O-N 3.05Å; F125-H127 VanDerWaalsContact O-N 3.14Å; H127-S130 PolarHBondContact O-N 3.43Å; H127-A131 PolarHBondContact O-N 3.33Å; H127-A131 VanDerWaalsContact O-N 3.09Å
128	V	95.6	Very high	94.7	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.4	-43.1	173.4	-172	0	0	0	0	110.9	V87 N88 V89 F125 S130 A131 L132 L271	V87-V128 HydrophobicContact CB-CG1 4.42Å; V87-V128 HydrophobicContact CG1-CG1 4.01Å; V87-V128 HydrophobicContact CG2-CG1 3.81Å; N88-V128 WeakPolarHBondContact O-CG1 3.43Å; V89-V128 HydrophobicContact CG2-CG2 3.88Å; F125-V128 HydrophobicContact CD1-CG2 4.49Å; F125-V128 WeakPolarHBondContact O-CB 3.42Å; F125-V128 PolarHBondContact O-N 3.37Å; V128-S130 VanDerWaalsContact C-N 3.31Å; V128-S130 PolarHBondContact O-N 2.99Å; V128-A131 PolarHBondContact O-N 3.43Å; V128-L132 PolarHBondContact O-N 2.85Å; V128-L271 HydrophobicContact CG2-CD1 4.47Å
129	F	96.4	Very high	94.5	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.035	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-36.1	176.5	-65.4	-48.3	0	0	0	112.4	I84 V87 L115 A118 Q119 F125 T126 V133 F173	I84-F129 HydrophobicContact CG2-CE1 4.07Å; V87-F129 HydrophobicContact CG1-CD1 3.94Å; V87-F129 HydrophobicContact CG1-CE1 3.7Å; L115-F129 HydrophobicContact CD1-CB 4.05Å; L115-F129 HydrophobicContact CD1-CD1 3.91Å; L115-F129 HydrophobicContact CD1-CG 4.23Å; A118-F129 HydrophobicContact CB-CE1 4.28Å; A118-F129 HydrophobicContact CB-CZ 3.9Å; Q119-F129 HydrophobicContact CB-CD2 3.7Å; Q119-F129 HydrophobicContact CB-CE2 4.1Å; Q119-F129 HydrophobicContact CB-CG 4.4Å; Q119-F129 HydrophobicContact CG-CD2 3.88Å; F125-F129 HydrophobicContact CB-CD2 4.22Å; F125-F129 HydrophobicContact CB-CE2 3.81Å; F125-F129 HydrophobicContact CB-CZ 4.25Å; F125-F129 WeakPolarHBondContact O-CD2 3.21Å; F125-F129 PolarHBondContact O-N 3.03Å; T126-F129 PolarHBondContact O-N 2.86Å; F129-V133 VanDerWaalsContact O-CG2 3.3Å; F129-V133 WeakPolarHBondContact O-CG2 3.28Å; F129-V133 PolarHBondContact O-N 3.41Å; F129-F173 HydrophobicContact CB-CE2 4.19Å; F129-F173 HydrophobicContact CB-CZ 4.05Å
130	S	95.6	Very high	94.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.7	-37.5	172.7	-72.5	0	0	0	0	113.1	T126 H127 V128 V133 A134 F173 H176 L177	T126-S130 PolarHBondContact O-N 2.87Å; T126-S130 PolarHBondContact O-OG 3.37Å; H127-S130 PolarHBondContact O-N 3.43Å; V128-S130 VanDerWaalsContact C-N 3.31Å; V128-S130 PolarHBondContact O-N 2.99Å; S130-V133 PolarHBondContact O-N 2.93Å; S130-A134 WeakPolarHBondContact O-CB 3.24Å; S130-A134 PolarHBondContact O-N 3.48Å; S130-F173 WeakPolarHBondContact OG-CD2 3.46Å; S130-F173 WeakPolarHBondContact OG-CE2 3.48Å; S130-H176 WeakPolarHBondContact OG-CB 3.42Å; S130-L177 PolarHBondContact OG-N 3.3Å
131	A	95.2	Very high	94.4	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-63.3	-45	173.1	0	0	0	0	0	111.4	L92 H127 V128 V133 A134 V135 L271	L92-A131 HydrophobicContact CD2-CB 3.6Å; H127-A131 PolarHBondContact O-N 3.33Å; H127-A131 VanDerWaalsContact O-N 3.09Å; V128-A131 PolarHBondContact O-N 3.43Å; A131-V133 VanDerWaalsContact C-N 3.34Å; A131-V133 PolarHBondContact O-N 3.22Å; A131-A134 WeakPolarHBondContact O-CB 3.41Å; A131-A134 PolarHBondContact O-N 3.39Å; A131-A134 VanDerWaalsContact O-N 3.11Å; A131-V135 PolarHBondContact O-N 3.35Å; A131-V135 VanDerWaalsContact O-N 3.13Å; A131-L271 HydrophobicContact CB-CB 4.13Å; A131-L271 HydrophobicContact CB-CD2 4.02Å
132	L	95.4	Very high	94.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.1	-42.5	173.9	-178.8	63.4	0	0	0	112.2	I84 V87 L92 V96 L99 F111 V128 A134 V136	I84-L132 HydrophobicContact CG1-CD2 4.32Å; V87-L132 HydrophobicContact CG1-CD2 4.34Å; V87-L132 HydrophobicContact CG2-CD2 4.49Å; L92-L132 HydrophobicContact CD1-CB 4Å; L92-L132 HydrophobicContact CD1-CD1 4.18Å; V96-L132 HydrophobicContact CG2-CD1 3.7Å; L99-L132 HydrophobicContact CD2-CD1 3.96Å; F111-L132 HydrophobicContact CE2-CD2 4.41Å; V128-L132 PolarHBondContact O-N 2.85Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-V136 WeakPolarHBondContact O-CG2 3.33Å; L132-V136 PolarHBondContact O-N 3.32Å; L132-V136 VanDerWaalsContact O-N 3.15Å
133	V	96.2	Very high	94.5	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-64	-39.6	174	171.6	0	0	0	0	111.5	L115 F129 S130 A131 V135 V136 N137 V147 F173 L177 V182	L115-V133 HydrophobicContact CD1-CG2 4.4Å; L115-V133 HydrophobicContact CD2-CG2 3.37Å; L115-V133 HydrophobicContact CG-CG2 4.46Å; F129-V133 VanDerWaalsContact O-CG2 3.3Å; F129-V133 WeakPolarHBondContact O-CG2 3.28Å; F129-V133 PolarHBondContact O-N 3.41Å; S130-V133 PolarHBondContact O-N 2.93Å; A131-V133 VanDerWaalsContact C-N 3.34Å; A131-V133 PolarHBondContact O-N 3.22Å; V133-V135 PolarHBondContact O-N 3.14Å; V133-V136 PolarHBondContact O-N 3.06Å; V133-N137 WeakPolarHBondContact O-CB 3.5Å; V133-N137 PolarHBondContact O-N 2.93Å; V133-V147 HydrophobicContact CG1-CB 4.5Å; V133-V147 HydrophobicContact CG1-CG1 4.43Å; V133-V147 HydrophobicContact CG1-CG2 4.26Å; V133-V147 HydrophobicContact CG2-CG1 4.41Å; V133-V147 HydrophobicContact CG2-CG2 4.22Å; V133-F173 HydrophobicContact CG2-CE2 4.49Å; V133-F173 HydrophobicContact CG2-CZ 4.16Å; V133-L177 HydrophobicContact CB-CD2 3.86Å; V133-L177 HydrophobicContact CG1-CD2 3.63Å; V133-L177 HydrophobicContact CG2-CD2 4.44Å; V133-V182 HydrophobicContact CG1-CG1 4.08Å; V133-V182 HydrophobicContact CG1-CG2 4.45Å
134	A	95.3	Very high	94.6	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.033	14%	0.144	C	C	.	.	H	α-helix	trans	-61.1	-45.1	-179.7	0	0	0	0	0	111.7	S130 A131 L132 N137 S138 Q180 V182 I274	S130-A134 WeakPolarHBondContact O-CB 3.24Å; S130-A134 PolarHBondContact O-N 3.48Å; A131-A134 WeakPolarHBondContact O-CB 3.41Å; A131-A134 PolarHBondContact O-N 3.39Å; A131-A134 VanDerWaalsContact O-N 3.11Å; L132-A134 VanDerWaalsContact C-N 3.34Å; A134-N137 WeakPolarHBondContact O-CB 3.4Å; A134-N137 PolarHBondContact O-N 3.47Å; A134-N137 VanDerWaalsContact O-N 3.15Å; A134-S138 PolarHBondContact O-N 3.29Å; A134-Q180 HydrophobicContact CB-CB 4.14Å; A134-V182 HydrophobicContact CB-CG2 3.69Å; A134-I274 HydrophobicContact CB-CD1 3.52Å; A134-I274 WeakPolarHBondContact O-CD1 3.41Å
135	V	93.5	Very high	94.7	Very high	18 Å²	18	27.6 Å²	27.6	11%	0.109	13%	0.133	C	C	.	.	H	α-helix	trans	-71	-36.1	179.9	-170.9	0	0	0	0	111.7	V96 A131 V133 N137 S138 V273 I274	V96-V135 HydrophobicContact CG1-CB 4.44Å; V96-V135 HydrophobicContact CG1-CG1 3.67Å; V96-V135 HydrophobicContact CG2-CB 4.25Å; V96-V135 HydrophobicContact CG2-CG1 4.35Å; V96-V135 HydrophobicContact CG2-CG2 4.5Å; A131-V135 PolarHBondContact O-N 3.35Å; A131-V135 VanDerWaalsContact O-N 3.13Å; V133-V135 PolarHBondContact O-N 3.14Å; V135-N137 VanDerWaalsContact C-N 3.28Å; V135-N137 PolarHBondContact O-N 2.66Å; V135-S138 PolarHBondContact O-OG 2.97Å; V135-S138 VanDerWaalsContact O-OG 3.13Å; V135-V273 HydrophobicContact CG2-CB 4.4Å; V135-I274 HydrophobicContact CB-CD1 4.25Å; V135-I274 HydrophobicContact CG2-CD1 3.73Å; V135-I274 HydrophobicContact CG2-CG1 3.84Å
136	V	94.3	Very high	94.8	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.018	11%	0.113	C	C	.	.	H	α-helix	trans	-67.9	-29.6	171.7	173.8	0	0	0	0	111.4	L99 I104 F111 L132 V133 F140 V143	L99-V136 HydrophobicContact CD2-CG2 4Å; I104-V136 HydrophobicContact CD1-CG2 4.43Å; I104-V136 HydrophobicContact CG2-CG1 4.23Å; F111-V136 HydrophobicContact CE1-CG1 4.06Å; F111-V136 HydrophobicContact CE2-CG2 4.49Å; F111-V136 HydrophobicContact CZ-CB 4.37Å; F111-V136 HydrophobicContact CZ-CG1 4.3Å; F111-V136 HydrophobicContact CZ-CG2 4.05Å; L132-V136 WeakPolarHBondContact O-CG2 3.33Å; L132-V136 PolarHBondContact O-N 3.32Å; L132-V136 VanDerWaalsContact O-N 3.15Å; V133-V136 PolarHBondContact O-N 3.06Å; V136-F140 CarbonylContact O-C 3.6Å; V136-F140 WeakPolarHBondContact O-CA 3.39Å; V136-F140 WeakPolarHBondContact O-CB 3.38Å; V136-F140 PolarHBondContact O-N 3.45Å; V136-V143 HydrophobicContact CG1-CB 4.02Å; V136-V143 HydrophobicContact CG1-CG1 3.75Å
137	N	95.6	Very high	94.8	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.011	11%	0.113	C	C	.	.	H	α-helix	trans	-77.8	-37.8	-179.2	177.1	68	0	0	0	113.5	V133 A134 V135 K139 F140 P141 G144 V182 I280 H282	V133-N137 WeakPolarHBondContact O-CB 3.5Å; V133-N137 PolarHBondContact O-N 2.93Å; A134-N137 WeakPolarHBondContact O-CB 3.4Å; A134-N137 PolarHBondContact O-N 3.47Å; A134-N137 VanDerWaalsContact O-N 3.15Å; V135-N137 VanDerWaalsContact C-N 3.28Å; V135-N137 PolarHBondContact O-N 2.66Å; N137-K139 VanDerWaalsContact C-N 3.3Å; N137-K139 PolarHBondContact O-N 3.01Å; N137-F140 CarbonylContact O-C 3.59Å; N137-P141 WeakPolarHBondContact O-CA 3.28Å; N137-P141 WeakPolarHBondContact O-CD 3.37Å; N137-P141 WeakPolarHBondContact O-CG 3.37Å; N137-G144 WeakPolarHBondContact OD1-CA 3.48Å; N137-V182 HydrophobicContact CB-CG1 4.29Å; N137-I280 PolarHBondContact ND2-O 3.41Å; N137-H282 PolarHBondContact OD1-NE2 2.99Å
138	S	92.9	Very high	94.8	Very high	21 Å²	21	21 Å²	21	15%	0.147	10%	0.103	C	C	.	.	H	α-helix	trans	-63.3	-37.3	176.2	60	0	0	0	0	112	A134 V135 D278	A134-S138 PolarHBondContact O-N 3.29Å; V135-S138 PolarHBondContact O-OG 2.97Å; V135-S138 VanDerWaalsContact O-OG 3.13Å; S138-D278 WeakPolarHBondContact CB-O 3.36Å
139	K	91.1	Very high	94.8	Very high	94 Å²	94	22.8 Å²	22.8	41%	0.409	11%	0.111	S	C	.	.	H	α-helix	trans	-86.3	-33.6	175.7	-53	-49.8	-167.5	-178.1	0	113.6	N137 L319	N137-K139 VanDerWaalsContact C-N 3.3Å; N137-K139 PolarHBondContact O-N 3.01Å; K139-L319 HydrophobicContact CB-CD2 4.1Å; K139-L319 HydrophobicContact CD-CD2 3.56Å; K139-L319 HydrophobicContact CG-CD2 3.76Å
140	F	93.8	Very high	94.8	Very high	21 Å²	21	23.1 Å²	23.1	9%	0.092	11%	0.112	C	C	.	.			trans	-133.7	77.8	-178.9	-58.4	-70.8	0	0	0	113.3	L100 I104 V105 V136 N137 K142 V143 Y312 I315 L319	L100-F140 HydrophobicContact CD2-CD2 4.4Å; L100-F140 HydrophobicContact CD2-CE2 3.86Å; I104-F140 HydrophobicContact CD1-CD2 4.46Å; I104-F140 HydrophobicContact CD1-CE2 4.31Å; V105-F140 HydrophobicContact CG2-CD1 3.73Å; V105-F140 HydrophobicContact CG2-CE1 3.64Å; V105-F140 HydrophobicContact CG2-CZ 4.4Å; V136-F140 CarbonylContact O-C 3.6Å; V136-F140 WeakPolarHBondContact O-CA 3.39Å; V136-F140 WeakPolarHBondContact O-CB 3.38Å; V136-F140 PolarHBondContact O-N 3.45Å; N137-F140 CarbonylContact O-C 3.59Å; F140-K142 VanDerWaalsContact C-N 3.28Å; F140-K142 PolarHBondContact O-N 3.41Å; F140-K142 VanDerWaalsContact O-N 3.1Å; F140-V143 HydrophobicContact CB-CB 4.33Å; F140-V143 HydrophobicContact CB-CG2 3.73Å; F140-V143 WeakPolarHBondContact O-CB 3.46Å; F140-V143 PolarHBondContact O-N 3.48Å; F140-Y312 HydrophobicContact CE1-CE2 4.07Å; F140-Y312 HydrophobicContact CE2-CE2 4.3Å; F140-Y312 AromaticContact CZ-CE2 3.57Å; F140-Y312 HydrophobicContact CZ-CE2 3.57Å; F140-Y312 AromaticContact CZ-CZ 3.98Å; F140-I315 HydrophobicContact CE1-CG2 3.9Å; F140-I315 HydrophobicContact CZ-CG2 3.94Å; F140-L319 HydrophobicContact CE2-CD1 4.28Å; F140-L319 HydrophobicContact CZ-CD1 4.02Å
141	P	94.8	Very high	94.7	Very high	43 Å²	43	23.2 Å²	23.2	28%	0.279	11%	0.112	S	C	.	.	H	α-helix	trans	-56.9	-34.4	-173.6	-29.3	36.2	0	0	0	115.2	N137 V143 G144 E145 I280 H282	N137-P141 WeakPolarHBondContact O-CA 3.28Å; N137-P141 WeakPolarHBondContact O-CD 3.37Å; N137-P141 WeakPolarHBondContact O-CG 3.37Å; P141-V143 PolarHBondContact O-N 3.33Å; P141-V143 VanDerWaalsContact O-N 3.12Å; P141-G144 PolarHBondContact O-N 3.11Å; P141-G144 VanDerWaalsContact O-N 3.13Å; P141-E145 WeakPolarHBondContact O-CB 3.43Å; P141-E145 PolarHBondContact O-N 3.28Å; P141-I280 HydrophobicContact CB-CG2 4.18Å; P141-I280 HydrophobicContact CG-CD1 3.55Å; P141-I280 HydrophobicContact CG-CG2 4.3Å; P141-H282 PolarHBondContact O-CE1 3.4Å; P141-H282 VanDerWaalsContact O-CE1 3.28Å; P141-H282 PolarHBondContact O-NE2 2.94Å
142	K	93.8	Very high	94.7	Very high	155 Å²	155	23.2 Å²	23.2	67%	0.674	11%	0.112	S	C	*	.	H	α-helix	trans	-63.4	-14.2	176.3	-64.8	178.7	-179.2	173.4	0	113.7	F140 L146	F140-K142 VanDerWaalsContact C-N 3.28Å; F140-K142 PolarHBondContact O-N 3.41Å; F140-K142 VanDerWaalsContact O-N 3.1Å; K142-L146 WeakPolarHBondContact O-CB 3.49Å
143	V	95.1	Very high	94.6	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-86.9	-44.4	173.6	-174.6	0	0	0	0	110	I104 R108 F111 V112 V136 F140 P141 L146 V147	I104-V143 HydrophobicContact CG2-CG1 4.48Å; I104-V143 HydrophobicContact CG2-CG2 4.14Å; R108-V143 HydrophobicContact CB-CG2 4.04Å; F111-V143 HydrophobicContact CD1-CG1 3.54Å; F111-V143 HydrophobicContact CE1-CG1 3.81Å; V112-V143 HydrophobicContact CG2-CG1 4.2Å; V136-V143 HydrophobicContact CG1-CB 4.02Å; V136-V143 HydrophobicContact CG1-CG1 3.75Å; F140-V143 HydrophobicContact CB-CB 4.33Å; F140-V143 HydrophobicContact CB-CG2 3.73Å; F140-V143 WeakPolarHBondContact O-CB 3.46Å; F140-V143 PolarHBondContact O-N 3.48Å; P141-V143 PolarHBondContact O-N 3.33Å; P141-V143 VanDerWaalsContact O-N 3.12Å; V143-L146 PolarHBondContact O-N 3.38Å; V143-L146 VanDerWaalsContact O-N 3.15Å; V143-V147 WeakPolarHBondContact O-CG2 3.47Å; V143-V147 PolarHBondContact O-N 2.76Å
144	G	94.7	Very high	94.5	Very high	2 Å²	2	26.1 Å²	26.1	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-61.7	-41.5	173	0	0	0	0	0	112.6	N137 P141 L146 V147 L148	N137-G144 WeakPolarHBondContact OD1-CA 3.48Å; P141-G144 PolarHBondContact O-N 3.11Å; P141-G144 VanDerWaalsContact O-N 3.13Å; G144-L146 VanDerWaalsContact C-N 3.31Å; G144-L146 PolarHBondContact O-N 3.17Å; G144-V147 WeakPolarHBondContact O-CB 3.39Å; G144-V147 PolarHBondContact O-N 2.95Å; G144-V147 VanDerWaalsContact O-N 3.17Å; G144-L148 PolarHBondContact O-N 3.03Å
145	E	94.6	Very high	94.4	Very high	61 Å²	61	26 Å²	26	29%	0.285	13%	0.126	S	C	.	.	H	α-helix	trans	-55.4	-45.9	170.8	-164.5	-161.2	151.7	0	0	111.2	P141 V147 L148 K149 H282	P141-E145 WeakPolarHBondContact O-CB 3.43Å; P141-E145 PolarHBondContact O-N 3.28Å; E145-V147 PolarHBondContact O-N 3.42Å; E145-L148 PolarHBondContact O-N 3.01Å; E145-K149 HydrophobicContact CG-CD 4.24Å; E145-K149 WeakPolarHBondContact O-CB 3.3Å; E145-K149 VanDerWaalsContact O-CG 3.22Å; E145-K149 WeakPolarHBondContact O-CG 3.33Å; E145-K149 PolarHBondContact O-N 3.1Å; E145-K149 WeakPolarHBondContact OE1-CE 3.41Å; E145-K149 IonicContact OE1-NZ 2.88Å; E145-K149 PolarHBondContact OE1-NZ 3.34Å; E145-H282 PolarHBondContact N-NE2 3.43Å
146	L	95.5	Very high	94.4	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-68.1	-31.4	179	-177.1	61.8	0	0	0	113	R108 V112 K142 V143 G144 R150 E293 L296	R108-L146 HydrophobicContact CB-CD2 4.26Å; R108-L146 HydrophobicContact CG-CD2 4Å; V112-L146 HydrophobicContact CG2-CB 4.35Å; V112-L146 HydrophobicContact CG2-CD2 4.17Å; V112-L146 HydrophobicContact CG2-CG 4.11Å; K142-L146 WeakPolarHBondContact O-CB 3.49Å; V143-L146 PolarHBondContact O-N 3.38Å; V143-L146 VanDerWaalsContact O-N 3.15Å; G144-L146 VanDerWaalsContact C-N 3.31Å; G144-L146 PolarHBondContact O-N 3.17Å; L146-R150 HydrophobicContact CD1-CG 4.3Å; L146-R150 WeakPolarHBondContact O-CB 3.45Å; L146-R150 WeakPolarHBondContact O-CG 3.43Å; L146-R150 PolarHBondContact O-N 2.98Å; L146-E293 HydrophobicContact CD1-CB 3.89Å; L146-E293 HydrophobicContact CD1-CG 4.36Å; L146-L296 HydrophobicContact CD2-CD1 3.77Å
147	V	96.2	Very high	94.4	Very high	1 Å²	1	32 Å²	32	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-54.6	169.3	175.6	0	0	0	0	109.7	V112 L115 V133 V143 G144 E145 K149 R150 L151 L177	V112-V147 HydrophobicContact CB-CG2 4.33Å; V112-V147 HydrophobicContact CG1-CB 4.36Å; V112-V147 HydrophobicContact CG1-CG2 3.94Å; V112-V147 HydrophobicContact CG2-CG2 3.56Å; L115-V147 HydrophobicContact CD2-CG1 4.49Å; L115-V147 HydrophobicContact CD2-CG2 3.99Å; V133-V147 HydrophobicContact CG1-CB 4.5Å; V133-V147 HydrophobicContact CG1-CG1 4.43Å; V133-V147 HydrophobicContact CG1-CG2 4.26Å; V133-V147 HydrophobicContact CG2-CG1 4.41Å; V133-V147 HydrophobicContact CG2-CG2 4.22Å; V143-V147 WeakPolarHBondContact O-CG2 3.47Å; V143-V147 PolarHBondContact O-N 2.76Å; G144-V147 WeakPolarHBondContact O-CB 3.39Å; G144-V147 PolarHBondContact O-N 2.95Å; G144-V147 VanDerWaalsContact O-N 3.17Å; E145-V147 PolarHBondContact O-N 3.42Å; V147-K149 PolarHBondContact O-N 3.15Å; V147-R150 PolarHBondContact O-N 2.69Å; V147-L151 HydrophobicContact CG1-CD1 3.76Å; V147-L151 HydrophobicContact CG1-CG 4.34Å; V147-L151 WeakPolarHBondContact O-CG 3.5Å; V147-L151 PolarHBondContact O-N 3.11Å; V147-L177 HydrophobicContact CG1-CD1 4.08Å
148	L	95.8	Very high	94.2	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.3	-49.5	179.9	177.6	58.1	0	0	0	111.7	G144 E145 R150 L151 I152 L174 V183 I187 H282	G144-L148 PolarHBondContact O-N 3.03Å; E145-L148 PolarHBondContact O-N 3.01Å; L148-R150 VanDerWaalsContact C-N 3.29Å; L148-R150 PolarHBondContact O-N 3.12Å; L148-L151 PolarHBondContact O-N 3.19Å; L148-L151 VanDerWaalsContact O-N 3.17Å; L148-I152 HydrophobicContact CD1-CD1 3.85Å; L148-I152 HydrophobicContact CD1-CG1 4.09Å; L148-I152 HydrophobicContact CG-CD1 3.88Å; L148-I152 WeakPolarHBondContact O-CG1 3.46Å; L148-I152 PolarHBondContact O-N 3.1Å; L148-L174 HydrophobicContact CD1-CD2 3.82Å; L148-V183 HydrophobicContact CB-CG2 4.48Å; L148-V183 HydrophobicContact CD1-CG1 3.77Å; L148-V183 HydrophobicContact CD1-CG2 3.92Å; L148-V183 HydrophobicContact CD2-CG1 3.87Å; L148-V183 HydrophobicContact CD2-CG2 4.16Å; L148-V183 HydrophobicContact CG-CG1 4.46Å; L148-V183 HydrophobicContact CG-CG2 4.41Å; L148-I187 HydrophobicContact CD1-CD1 3.72Å; L148-H282 HydrophobicContact CD2-CB 3.65Å
149	K	95.2	Very high	94.2	Very high	38 Å²	38	34.4 Å²	34.4	17%	0.165	16%	0.156	C	C	.	.	H	α-helix	trans	-54.5	-44.1	179	-77.2	173.8	156.2	168.1	0	112.6	E145 V147 N153 V290 E293	E145-K149 HydrophobicContact CG-CD 4.24Å; E145-K149 WeakPolarHBondContact O-CB 3.3Å; E145-K149 VanDerWaalsContact O-CG 3.22Å; E145-K149 WeakPolarHBondContact O-CG 3.33Å; E145-K149 PolarHBondContact O-N 3.1Å; E145-K149 WeakPolarHBondContact OE1-CE 3.41Å; E145-K149 IonicContact OE1-NZ 2.88Å; E145-K149 PolarHBondContact OE1-NZ 3.34Å; V147-K149 PolarHBondContact O-N 3.15Å; K149-N153 PolarHBondContact O-N 2.94Å; K149-V290 HydrophobicContact CB-CG1 3.43Å; K149-V290 VanDerWaalsContact CB-CG1 3.43Å; K149-V290 HydrophobicContact CD-CG1 4.32Å; K149-V290 HydrophobicContact CG-CG1 3.52Å; K149-E293 IonicContact NZ-OE1 3.25Å; K149-E293 PolarHBondContact NZ-OE1 3.16Å; K149-E293 VanDerWaalsContact NZ-OE1 3.16Å
150	R	95.2	Very high	94.2	Very high	16 Å²	16	38.7 Å²	38.7	6%	0.06	17%	0.169	C	C	.	.	H	α-helix	trans	-73.9	-37.2	179.4	-73.2	173	171.4	-163.5	0.2	112.3	G109 V112 L116 L146 V147 L148 N153 E154 P292 E293 N297	G109-R150 PolarHBondContact O-NH1 3.38Å; V112-R150 HydrophobicContact CG1-CB 4.33Å; V112-R150 VanDerWaalsContact CG1-CD 3.5Å; V112-R150 HydrophobicContact CG1-CG 4.48Å; L116-R150 HydrophobicContact CD1-CB 3.7Å; L146-R150 HydrophobicContact CD1-CG 4.3Å; L146-R150 WeakPolarHBondContact O-CB 3.45Å; L146-R150 WeakPolarHBondContact O-CG 3.43Å; L146-R150 PolarHBondContact O-N 2.98Å; V147-R150 PolarHBondContact O-N 2.69Å; L148-R150 VanDerWaalsContact C-N 3.29Å; L148-R150 PolarHBondContact O-N 3.12Å; R150-N153 PolarHBondContact O-N 3.39Å; R150-E154 WeakPolarHBondContact O-CB 3.38Å; R150-E154 PolarHBondContact O-N 2.9Å; R150-P292 HydrophobicContact CG-CB 3.99Å; R150-P292 WeakPolarHBondContact CG-O 3.46Å; R150-P292 PolarHBondContact NE-O 2.92Å; R150-P292 PolarHBondContact NH2-O 3.48Å; R150-E293 PolarHBondContact NH2-O 3.13Å; R150-N297 VanDerWaalsContact CZ-OD1 3.31Å; R150-N297 PolarHBondContact NH1-OD1 3.34Å; R150-N297 PolarHBondContact NH2-OD1 2.88Å
151	L	95.2	Very high	94.2	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-61.8	-45.9	173.9	-74.7	171.3	0	0	0	112.5	L116 V147 L148 N153 E154 F155 T170 F173 L174 L177	L116-L151 HydrophobicContact CD2-CD2 3.33Å; L116-L151 HydrophobicContact CD2-CG 3.82Å; V147-L151 HydrophobicContact CG1-CD1 3.76Å; V147-L151 HydrophobicContact CG1-CG 4.34Å; V147-L151 WeakPolarHBondContact O-CG 3.5Å; V147-L151 PolarHBondContact O-N 3.11Å; L148-L151 PolarHBondContact O-N 3.19Å; L148-L151 VanDerWaalsContact O-N 3.17Å; L151-N153 VanDerWaalsContact C-N 3.3Å; L151-N153 PolarHBondContact O-N 2.94Å; L151-E154 PolarHBondContact O-N 3.39Å; L151-F155 WeakPolarHBondContact O-CB 3.45Å; L151-F155 PolarHBondContact O-N 3.1Å; L151-T170 HydrophobicContact CB-CG2 4.3Å; L151-T170 HydrophobicContact CD2-CG2 3.73Å; L151-T170 WeakPolarHBondContact O-CG2 3.45Å; L151-F173 HydrophobicContact CD1-CB 4.47Å; L151-F173 HydrophobicContact CD1-CD1 4.16Å; L151-F173 HydrophobicContact CD1-CG 4.2Å; L151-F173 HydrophobicContact CD2-CB 4.16Å; L151-F173 HydrophobicContact CD2-CD1 3.72Å; L151-F173 HydrophobicContact CD2-CE1 4.49Å; L151-F173 HydrophobicContact CD2-CG 4.21Å; L151-L174 HydrophobicContact CB-CD2 3.89Å; L151-L174 HydrophobicContact CB-CG 4.35Å; L151-L174 HydrophobicContact CD1-CD2 3.89Å; L151-L174 HydrophobicContact CD1-CG 4.4Å; L151-L177 HydrophobicContact CD1-CD1 3.4Å; L151-L177 VanDerWaalsContact CD1-CD1 3.4Å
152	I	94.7	Very high	94	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-56.6	-46.2	176.3	-70.4	167.4	0	0	0	110.5	L148 R156 I187 T284 L286	L148-I152 HydrophobicContact CD1-CD1 3.85Å; L148-I152 HydrophobicContact CD1-CG1 4.09Å; L148-I152 HydrophobicContact CG-CD1 3.88Å; L148-I152 WeakPolarHBondContact O-CG1 3.46Å; L148-I152 PolarHBondContact O-N 3.1Å; I152-R156 WeakPolarHBondContact O-CB 3.42Å; I152-R156 WeakPolarHBondContact O-CD 3.47Å; I152-R156 VanDerWaalsContact O-CG 3.28Å; I152-R156 WeakPolarHBondContact O-CG 3.3Å; I152-R156 PolarHBondContact O-N 2.93Å; I152-I187 HydrophobicContact CD1-CD1 3.74Å; I152-I187 HydrophobicContact CG1-CD1 3.77Å; I152-T284 HydrophobicContact CD1-CG2 3.94Å; I152-L286 HydrophobicContact CG2-CD1 4.48Å
153	N	93.5	Very high	94	Very high	31 Å²	31	46.2 Å²	46.2	17%	0.166	20%	0.201	C	C	.	.	H	α-helix	trans	-68.6	-40.3	179.5	-163.9	-12.3	0	0	0	111.9	K149 R150 L151 R156 K157 P292	K149-N153 PolarHBondContact O-N 2.94Å; R150-N153 PolarHBondContact O-N 3.39Å; L151-N153 VanDerWaalsContact C-N 3.3Å; L151-N153 PolarHBondContact O-N 2.94Å; N153-R156 PolarHBondContact O-N 3.47Å; N153-K157 VanDerWaalsContact O-CB 3.26Å; N153-K157 WeakPolarHBondContact O-CB 3.34Å; N153-K157 WeakPolarHBondContact O-CD 3.35Å; N153-K157 WeakPolarHBondContact O-CG 3.45Å; N153-K157 PolarHBondContact O-N 3.43Å; N153-K157 WeakPolarHBondContact OD1-CD 3.4Å; N153-K157 WeakPolarHBondContact OD1-CE 3.37Å; N153-K157 PolarHBondContact OD1-NZ 2.94Å; N153-P292 WeakPolarHBondContact ND2-CD 3.15Å; N153-P292 WeakPolarHBondContact ND2-CG 3.24Å
154	E	93.4	Very high	93.8	Very high	33 Å²	33	48.3 Å²	48.3	15%	0.154	21%	0.21	C	C	.	.	H	α-helix	trans	-64.9	-43.7	175.4	-174.9	140.1	-142.4	0	0	112	R150 L151 R156 K157 A158 R166 T170	R150-E154 WeakPolarHBondContact O-CB 3.38Å; R150-E154 PolarHBondContact O-N 2.9Å; L151-E154 PolarHBondContact O-N 3.39Å; E154-R156 PolarHBondContact O-N 3.19Å; E154-K157 CarbonylContact O-C 3.29Å; E154-K157 PolarHBondContact O-N 2.95Å; E154-K157 VanDerWaalsContact O-N 3.16Å; E154-A158 WeakPolarHBondContact O-CB 3.27Å; E154-A158 PolarHBondContact O-N 3.11Å; E154-R166 IonicContact OE1-NH1 3.94Å; E154-R166 PolarHBondContact OE1-NH1 2.86Å; E154-T170 HydrophobicContact CB-CG2 4.46Å
155	F	94.3	Very high	93.8	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.009	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-47.9	173.8	-178.3	-97.9	0	0	0	111.3	L151 K157 A158 F159 C167 T170 A171 L191 L194 L195 L286	L151-F155 WeakPolarHBondContact O-CB 3.45Å; L151-F155 PolarHBondContact O-N 3.1Å; F155-K157 VanDerWaalsContact C-N 3.3Å; F155-K157 PolarHBondContact O-N 3.07Å; F155-A158 PolarHBondContact O-N 3.41Å; F155-A158 VanDerWaalsContact O-N 3.17Å; F155-F159 HydrophobicContact CE1-CB 4.49Å; F155-F159 WeakPolarHBondContact O-CB 3.5Å; F155-F159 PolarHBondContact O-N 2.89Å; F155-C167 HydrophobicContact CE2-CB 4.37Å; F155-T170 HydrophobicContact CB-CG2 3.85Å; F155-A171 HydrophobicContact CD2-CB 4.35Å; F155-A171 HydrophobicContact CE2-CB 4.14Å; F155-L191 HydrophobicContact CD1-CD1 4.41Å; F155-L191 HydrophobicContact CD2-CD1 4.05Å; F155-L191 HydrophobicContact CE1-CD1 4.1Å; F155-L191 HydrophobicContact CE1-CG 4.21Å; F155-L191 HydrophobicContact CE2-CD1 3.72Å; F155-L191 HydrophobicContact CE2-CG 4.13Å; F155-L191 HydrophobicContact CG-CD1 4.39Å; F155-L191 HydrophobicContact CZ-CD1 3.75Å; F155-L191 HydrophobicContact CZ-CG 3.75Å; F155-L194 HydrophobicContact CE1-CD2 4.25Å; F155-L195 HydrophobicContact CZ-CD2 4.38Å; F155-L286 HydrophobicContact CD1-CD1 3.96Å; F155-L286 HydrophobicContact CE1-CD1 4.42Å; F155-L286 HydrophobicContact CE1-CD2 4.26Å
156	R	93.2	Very high	93.7	Very high	78 Å²	78	57.8 Å²	57.8	29%	0.294	25%	0.252	S	S	.	.	H	α-helix	trans	-68.9	-23.7	177.3	-69.2	167.3	80.4	171.9	2.4	113.5	I152 N153 E154 R160 L286 L287 D288	I152-R156 WeakPolarHBondContact O-CB 3.42Å; I152-R156 WeakPolarHBondContact O-CD 3.47Å; I152-R156 VanDerWaalsContact O-CG 3.28Å; I152-R156 WeakPolarHBondContact O-CG 3.3Å; I152-R156 PolarHBondContact O-N 2.93Å; N153-R156 PolarHBondContact O-N 3.47Å; E154-R156 PolarHBondContact O-N 3.19Å; R156-R160 WeakPolarHBondContact O-CG 3.46Å; R156-R160 PolarHBondContact O-NE 2.64Å; R156-L286 WeakPolarHBondContact CD-O 3.41Å; R156-L286 PolarHBondContact NH1-O 2.97Å; R156-L287 VanDerWaalsContact NH1-C 3.32Å; R156-L287 PolarHBondContact NH1-O 3.48Å; R156-L287 PolarHBondContact NH2-O 2.87Å; R156-D288 PolarHBondContact NH1-O 2.99Å
157	K	92.9	Very high	93.6	Very high	69 Å²	69	58 Å²	58	30%	0.3	25%	0.254	S	S	.	.	H	α-helix	trans	-76.6	-37	170.6	-78.3	162.7	172.2	165.8	0	110.9	N153 E154 F155 R161 E294	N153-K157 VanDerWaalsContact O-CB 3.26Å; N153-K157 WeakPolarHBondContact O-CB 3.34Å; N153-K157 WeakPolarHBondContact O-CD 3.35Å; N153-K157 WeakPolarHBondContact O-CG 3.45Å; N153-K157 PolarHBondContact O-N 3.43Å; N153-K157 WeakPolarHBondContact OD1-CD 3.4Å; N153-K157 WeakPolarHBondContact OD1-CE 3.37Å; N153-K157 PolarHBondContact OD1-NZ 2.94Å; E154-K157 CarbonylContact O-C 3.29Å; E154-K157 PolarHBondContact O-N 2.95Å; E154-K157 VanDerWaalsContact O-N 3.16Å; F155-K157 VanDerWaalsContact C-N 3.3Å; F155-K157 PolarHBondContact O-N 3.07Å; K157-R161 VanDerWaalsContact O-CD 3.25Å; K157-R161 WeakPolarHBondContact O-CD 3.19Å; K157-R161 VanDerWaalsContact O-CG 3.22Å; K157-R161 WeakPolarHBondContact O-CG 3.4Å; K157-E294 IonicContact NZ-OE1 2.68Å; K157-E294 PolarHBondContact NZ-OE1 2.79Å
158	A	93.2	Very high	93.6	Very high	2 Å²	2	60.1 Å²	60.1	2%	0.017	27%	0.265	C	S	.	.	H	α-helix	trans	-75.7	-45.9	179.1	0	0	0	0	0	112.9	E154 F155 R161 N162 Q163 R166	E154-A158 WeakPolarHBondContact O-CB 3.27Å; E154-A158 PolarHBondContact O-N 3.11Å; F155-A158 PolarHBondContact O-N 3.41Å; F155-A158 VanDerWaalsContact O-N 3.17Å; A158-R161 CarbonylContact O-C 3.59Å; A158-R161 WeakPolarHBondContact O-CA 3.41Å; A158-R161 PolarHBondContact O-N 3.5Å; A158-N162 PolarHBondContact O-N 3.44Å; A158-N162 VanDerWaalsContact O-N 3.13Å; A158-Q163 HydrophobicContact CB-CB 4.43Å; A158-Q163 PolarHBondContact O-N 2.92Å; A158-R166 HydrophobicContact CB-CB 3.7Å
159	F	92	Very high	93.5	Very high	71 Å²	71	60.5 Å²	60.5	31%	0.311	27%	0.268	S	S	.	.	H	α-helix	trans	-61.9	-49.1	-178.9	-176	-104.1	0	0	0	111.4	F155 R161 N162 C167 L194 L195	F155-F159 HydrophobicContact CE1-CB 4.49Å; F155-F159 WeakPolarHBondContact O-CB 3.5Å; F155-F159 PolarHBondContact O-N 2.89Å; F159-R161 PolarHBondContact O-N 2.89Å; F159-N162 PolarHBondContact O-N 2.94Å; F159-N162 PolarHBondContact O-OD1 3.48Å; F159-C167 PolarHBondContact N-SG 2.85Å; F159-C167 VanDerWaalsContact N-SG 3.41Å; F159-L194 HydrophobicContact CD1-CD2 4.08Å; F159-L194 HydrophobicContact CD2-CD2 4.23Å; F159-L194 HydrophobicContact CE1-CD2 3.69Å; F159-L194 HydrophobicContact CE1-CG 4.49Å; F159-L194 HydrophobicContact CE2-CD2 3.87Å; F159-L194 HydrophobicContact CG-CD2 4.33Å; F159-L194 HydrophobicContact CZ-CD2 3.58Å; F159-L195 HydrophobicContact CD2-CD2 4.18Å; F159-L195 HydrophobicContact CE2-CD2 3.89Å
160	R	91.9	Very high	93.5	Very high	183 Å²	183	58.8 Å²	58.8	69%	0.691	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-3.1	173.9	-70	-175.9	-65.5	161.4	-2.9	115.1	R156	R156-R160 WeakPolarHBondContact O-CG 3.46Å; R156-R160 PolarHBondContact O-NE 2.64Å
161	R	93.8	Very high	93.5	Very high	166 Å²	166	58 Å²	58	63%	0.626	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	5	176	-68.9	177.4	176.4	166.6	-3.9	112.4	K157 A158 F159 Q163	K157-R161 VanDerWaalsContact O-CD 3.25Å; K157-R161 WeakPolarHBondContact O-CD 3.19Å; K157-R161 VanDerWaalsContact O-CG 3.22Å; K157-R161 WeakPolarHBondContact O-CG 3.4Å; A158-R161 CarbonylContact O-C 3.59Å; A158-R161 WeakPolarHBondContact O-CA 3.41Å; A158-R161 PolarHBondContact O-N 3.5Å; F159-R161 PolarHBondContact O-N 2.89Å; R161-Q163 HydrophobicContact CB-CG 3.87Å; R161-Q163 PolarHBondContact O-N 2.96Å
162	N	90.2	Very high	93.5	Very high	141 Å²	141	60.7 Å²	60.7	75%	0.754	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	40.5	-174.3	-60	3.8	0	0	0	113.1	A158 F159 K164	A158-N162 PolarHBondContact O-N 3.44Å; A158-N162 VanDerWaalsContact O-N 3.13Å; F159-N162 PolarHBondContact O-N 2.94Å; F159-N162 PolarHBondContact O-OD1 3.48Å; N162-K164 PolarHBondContact O-N 3.4Å
163	Q	93.3	Very high	93.6	Very high	71 Å²	71	60.7 Å²	60.7	33%	0.332	27%	0.267	S	S	.	.			trans	-93.6	79.6	-178.4	-69	-174.2	-19.1	0	0	111.3	A158 R161 D165 R166 C167	A158-Q163 HydrophobicContact CB-CB 4.43Å; A158-Q163 PolarHBondContact O-N 2.92Å; R161-Q163 HydrophobicContact CB-CG 3.87Å; R161-Q163 PolarHBondContact O-N 2.96Å; Q163-D165 PolarHBondContact O-N 3.17Å; Q163-R166 HydrophobicContact CB-CB 4.36Å; Q163-R166 PolarHBondContact O-N 3.1Å; Q163-R166 VanDerWaalsContact O-N 3.13Å; Q163-C167 PolarHBondContact O-N 3.41Å
164	K	91.9	Very high	93.7	Very high	47 Å²	47	59.2 Å²	59.2	20%	0.204	26%	0.26	C	S	.	.	H	α-helix	trans	-47.5	-50.6	-174.5	176.7	165.9	59.6	-175.4	0	113.8	N162 R166 C167 L168 D202 E205 V206	N162-K164 PolarHBondContact O-N 3.4Å; K164-R166 PolarHBondContact O-N 3.05Å; K164-C167 WeakPolarHBondContact O-CB 3.21Å; K164-C167 PolarHBondContact O-N 2.97Å; K164-C167 VanDerWaalsContact O-N 3.09Å; K164-L168 WeakPolarHBondContact O-CB 3.32Å; K164-L168 PolarHBondContact O-N 3.21Å; K164-D202 HydrophobicContact CD-CB 3.98Å; K164-D202 WeakPolarHBondContact CE-OD1 3.44Å; K164-D202 IonicContact NZ-OD1 2.76Å; K164-D202 PolarHBondContact NZ-OD1 3.31Å; K164-D202 IonicContact NZ-OD2 3.23Å; K164-E205 HydrophobicContact CD-CG 4.47Å; K164-E205 IonicContact NZ-OE2 3.64Å; K164-E205 PolarHBondContact NZ-OE2 3.29Å; K164-V206 HydrophobicContact CG-CG2 4.12Å
165	D	93.2	Very high	93.9	Very high	131 Å²	131	57.6 Å²	57.6	70%	0.701	25%	0.252	S	S	*	.	H	α-helix	trans	-61.5	-35.4	-174	-47.2	-68.3	0	0	0	112.4	Q163 S169	Q163-D165 PolarHBondContact O-N 3.17Å; D165-S169 WeakPolarHBondContact O-CB 3.26Å; D165-S169 PolarHBondContact O-N 3.17Å
166	R	93.5	Very high	93.9	Very high	130 Å²	130	58.7 Å²	58.7	49%	0.491	26%	0.257	S	S	.	.	H	α-helix	trans	-72.9	-45.4	173.8	-65.7	-169.4	-173.4	-126.9	0.9	111.5	E154 A158 Q163 K164 L168 S169 T170	E154-R166 IonicContact OE1-NH1 3.94Å; E154-R166 PolarHBondContact OE1-NH1 2.86Å; A158-R166 HydrophobicContact CB-CB 3.7Å; Q163-R166 HydrophobicContact CB-CB 4.36Å; Q163-R166 PolarHBondContact O-N 3.1Å; Q163-R166 VanDerWaalsContact O-N 3.13Å; K164-R166 PolarHBondContact O-N 3.05Å; R166-L168 VanDerWaalsContact C-N 3.27Å; R166-L168 PolarHBondContact O-N 3.29Å; R166-S169 PolarHBondContact O-N 2.96Å; R166-T170 WeakPolarHBondContact O-CB 3.5Å; R166-T170 PolarHBondContact O-N 3.02Å; R166-T170 PolarHBondContact O-OG1 3.12Å
167	C	94.1	Very high	94.1	Very high	6 Å²	6	55 Å²	55	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-55	-44.7	174.3	-73.5	0	0	0	0	111.6	F155 F159 Q163 K164 A171 V206	F155-C167 HydrophobicContact CE2-CB 4.37Å; F159-C167 PolarHBondContact N-SG 2.85Å; F159-C167 VanDerWaalsContact N-SG 3.41Å; Q163-C167 PolarHBondContact O-N 3.41Å; K164-C167 WeakPolarHBondContact O-CB 3.21Å; K164-C167 PolarHBondContact O-N 2.97Å; K164-C167 VanDerWaalsContact O-N 3.09Å; C167-A171 WeakPolarHBondContact O-CB 3.46Å; C167-A171 PolarHBondContact O-N 3.44Å; C167-V206 HydrophobicContact CB-CG1 4.46Å; C167-V206 HydrophobicContact CB-CG2 4.18Å
168	L	94.4	Very high	94.2	Very high	45 Å²	45	51.9 Å²	51.9	24%	0.236	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-51.2	176.3	-167.5	159.1	0	0	0	111.2	K164 R166 A171 R172 V206	K164-L168 WeakPolarHBondContact O-CB 3.32Å; K164-L168 PolarHBondContact O-N 3.21Å; R166-L168 VanDerWaalsContact C-N 3.27Å; R166-L168 PolarHBondContact O-N 3.29Å; L168-A171 PolarHBondContact O-N 2.99Å; L168-R172 VanDerWaalsContact O-CB 3.26Å; L168-R172 WeakPolarHBondContact O-CB 3.45Å; L168-R172 PolarHBondContact O-N 3.47Å; L168-V206 HydrophobicContact CB-CG2 4.3Å
169	S	94.8	Very high	94.3	Very high	9 Å²	9	52 Å²	52	6%	0.063	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-46.5	-178.2	-165.5	0	0	0	0	112.8	Q119 D165 R166 R172 F173	Q119-S169 PolarHBondContact NE2-O 2.65Å; Q119-S169 PolarHBondContact NE2-OG 2.9Å; Q119-S169 PolarHBondContact OE1-OG 3.04Å; D165-S169 WeakPolarHBondContact O-CB 3.26Å; D165-S169 PolarHBondContact O-N 3.17Å; R166-S169 PolarHBondContact O-N 2.96Å; S169-R172 PolarHBondContact O-N 3.43Å; S169-F173 PolarHBondContact O-N 3.16Å; S169-F173 VanDerWaalsContact O-N 3.1Å
170	T	95	Very high	94.4	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-66.7	-41.8	178.7	-52.1	0	0	0	0	112	L151 E154 F155 R166 F173 L174	L151-T170 HydrophobicContact CB-CG2 4.3Å; L151-T170 HydrophobicContact CD2-CG2 3.73Å; L151-T170 WeakPolarHBondContact O-CG2 3.45Å; E154-T170 HydrophobicContact CB-CG2 4.46Å; F155-T170 HydrophobicContact CB-CG2 3.85Å; R166-T170 WeakPolarHBondContact O-CB 3.5Å; R166-T170 PolarHBondContact O-N 3.02Å; R166-T170 PolarHBondContact O-OG1 3.12Å; T170-F173 PolarHBondContact O-N 3.35Å; T170-L174 PolarHBondContact O-N 3.18Å
171	A	95.1	Very high	94.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-70.9	-32.9	178.7	0	0	0	0	0	112.3	F155 C167 L168 F173 L174 A175 L191 V206 V210	F155-A171 HydrophobicContact CD2-CB 4.35Å; F155-A171 HydrophobicContact CE2-CB 4.14Å; C167-A171 WeakPolarHBondContact O-CB 3.46Å; C167-A171 PolarHBondContact O-N 3.44Å; L168-A171 PolarHBondContact O-N 2.99Å; A171-F173 VanDerWaalsContact C-N 3.31Å; A171-F173 PolarHBondContact O-N 2.9Å; A171-L174 PolarHBondContact O-N 3.15Å; A171-A175 WeakPolarHBondContact O-CB 3.37Å; A171-A175 PolarHBondContact O-N 3.38Å; A171-L191 HydrophobicContact CB-CD1 3.9Å; A171-L191 HydrophobicContact CB-CD2 4.18Å; A171-V206 HydrophobicContact CB-CG1 4.17Å; A171-V210 HydrophobicContact CB-CG2 3.44Å; A171-V210 VanDerWaalsContact CB-CG2 3.44Å
172	R	95.2	Very high	94.6	Very high	57 Å²	57	35 Å²	35	22%	0.215	17%	0.166	C	C	.	.	H	α-helix	trans	-61.6	-38	169	-175.3	170.5	-161.7	176.2	7.8	111.7	T126 L168 S169 A175 H176 E213	T126-R172 HydrophobicContact CG2-CG 4.27Å; L168-R172 VanDerWaalsContact O-CB 3.26Å; L168-R172 WeakPolarHBondContact O-CB 3.45Å; L168-R172 PolarHBondContact O-N 3.47Å; S169-R172 PolarHBondContact O-N 3.43Å; R172-A175 WeakPolarHBondContact O-CB 3.38Å; R172-A175 PolarHBondContact O-N 3.08Å; R172-H176 PolarHBondContact NE-NE2 3.36Å; R172-H176 PolarHBondContact O-CD2 3.46Å; R172-H176 VanDerWaalsContact O-CD2 3.24Å; R172-H176 PolarHBondContact O-N 3.38Å; R172-H176 VanDerWaalsContact O-N 3.12Å; R172-E213 HydrophobicContact CG-CG 4.23Å; R172-E213 IonicContact CZ-OE1 3.33Å; R172-E213 IonicContact CZ-OE2 3.73Å; R172-E213 VanDerWaalsContact CZ-OE2 3.23Å; R172-E213 VanDerWaalsContact NE-CD 3.26Å; R172-E213 IonicContact NE-OE1 3.67Å; R172-E213 IonicContact NE-OE2 2.7Å; R172-E213 PolarHBondContact NE-OE2 3.32Å; R172-E213 IonicContact NH2-OE1 3.65Å; R172-E213 PolarHBondContact NH2-OE1 3.31Å; R172-E213 IonicContact NH2-OE2 3.9Å; R172-E213 PolarHBondContact NH2-OE2 3.12Å
173	F	96.8	Very high	94.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-68	-44.5	176.5	-156.5	174.8	0	0	0	111.8	L115 L116 Q119 T126 F129 S130 V133 L151 S169 T170 A171 A175 H176 L177	L115-F173 HydrophobicContact CD1-CZ 4.42Å; L115-F173 HydrophobicContact CD2-CE1 4.39Å; L115-F173 HydrophobicContact CD2-CZ 4.03Å; L115-F173 HydrophobicContact CG-CE1 4.28Å; L115-F173 HydrophobicContact CG-CZ 4.11Å; L116-F173 HydrophobicContact CD2-CD1 4.19Å; L116-F173 HydrophobicContact CD2-CE1 4.06Å; Q119-F173 HydrophobicContact CB-CD1 4.01Å; Q119-F173 HydrophobicContact CB-CE1 3.94Å; Q119-F173 HydrophobicContact CG-CB 4.38Å; Q119-F173 HydrophobicContact CG-CD1 3.55Å; Q119-F173 HydrophobicContact CG-CE1 3.89Å; Q119-F173 HydrophobicContact CG-CG 3.94Å; T126-F173 VanDerWaalsContact CG2-CA 3.45Å; T126-F173 HydrophobicContact CG2-CB 3.86Å; T126-F173 HydrophobicContact CG2-CD2 3.79Å; T126-F173 HydrophobicContact CG2-CG 3.96Å; F129-F173 HydrophobicContact CB-CE2 4.19Å; F129-F173 HydrophobicContact CB-CZ 4.05Å; S130-F173 WeakPolarHBondContact OG-CD2 3.46Å; S130-F173 WeakPolarHBondContact OG-CE2 3.48Å; V133-F173 HydrophobicContact CG2-CE2 4.49Å; V133-F173 HydrophobicContact CG2-CZ 4.16Å; L151-F173 HydrophobicContact CD1-CB 4.47Å; L151-F173 HydrophobicContact CD1-CD1 4.16Å; L151-F173 HydrophobicContact CD1-CG 4.2Å; L151-F173 HydrophobicContact CD2-CB 4.16Å; L151-F173 HydrophobicContact CD2-CD1 3.72Å; L151-F173 HydrophobicContact CD2-CE1 4.49Å; L151-F173 HydrophobicContact CD2-CG 4.21Å; S169-F173 PolarHBondContact O-N 3.16Å; S169-F173 VanDerWaalsContact O-N 3.1Å; T170-F173 PolarHBondContact O-N 3.35Å; A171-F173 VanDerWaalsContact C-N 3.31Å; A171-F173 PolarHBondContact O-N 2.9Å; F173-A175 VanDerWaalsContact C-N 3.28Å; F173-A175 PolarHBondContact O-N 2.7Å; F173-H176 PolarHBondContact O-N 2.9Å; F173-L177 HydrophobicContact CD2-CD1 4.01Å; F173-L177 HydrophobicContact CD2-CD2 4.48Å; F173-L177 HydrophobicContact CD2-CG 3.91Å; F173-L177 HydrophobicContact CE2-CD1 4.13Å; F173-L177 HydrophobicContact CE2-CD2 4.08Å; F173-L177 HydrophobicContact CE2-CG 4Å; F173-L177 WeakPolarHBondContact O-CG 3.41Å; F173-L177 PolarHBondContact O-N 3.36Å
174	L	96.5	Very high	94.9	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-57.4	-41	172.4	-68.5	170.9	0	0	0	111.9	L148 L151 T170 A171 L177 V178 I187 I188 L191	L148-L174 HydrophobicContact CD1-CD2 3.82Å; L151-L174 HydrophobicContact CB-CD2 3.89Å; L151-L174 HydrophobicContact CB-CG 4.35Å; L151-L174 HydrophobicContact CD1-CD2 3.89Å; L151-L174 HydrophobicContact CD1-CG 4.4Å; T170-L174 PolarHBondContact O-N 3.18Å; A171-L174 PolarHBondContact O-N 3.15Å; L174-L177 PolarHBondContact O-N 2.94Å; L174-V178 PolarHBondContact O-N 2.85Å; L174-I187 HydrophobicContact CD2-CD1 4.46Å; L174-I188 HydrophobicContact CB-CD1 3.8Å; L174-L191 HydrophobicContact CD1-CD1 3.88Å
175	A	95.9	Very high	95	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60	-49.2	177.4	0	0	0	0	0	112.6	A171 R172 F173 L177 V178 N179 V210 E213 C214	A171-A175 WeakPolarHBondContact O-CB 3.37Å; A171-A175 PolarHBondContact O-N 3.38Å; R172-A175 WeakPolarHBondContact O-CB 3.38Å; R172-A175 PolarHBondContact O-N 3.08Å; F173-A175 VanDerWaalsContact C-N 3.28Å; F173-A175 PolarHBondContact O-N 2.7Å; A175-L177 VanDerWaalsContact C-N 3.34Å; A175-L177 PolarHBondContact O-N 3.12Å; A175-V178 PolarHBondContact O-N 2.89Å; A175-N179 PolarHBondContact O-N 3.11Å; A175-N179 VanDerWaalsContact O-N 3.09Å; A175-N179 PolarHBondContact O-OD1 2.76Å; A175-V210 HydrophobicContact CB-CG1 4.35Å; A175-E213 HydrophobicContact CB-CB 4.12Å; A175-C214 HydrophobicContact CB-CB 3.88Å
176	H	96.1	Very high	95	Very high	25 Å²	25	25.5 Å²	25.5	12%	0.116	12%	0.117	C	C	.	.	H	α-helix	trans	-68.8	-28.8	177.5	-75.6	-67.1	0	0	0	113.3	T126 S130 R172 F173 N179 Q180 E213	T126-H176 HydrophobicContact CG2-CB 4.31Å; S130-H176 WeakPolarHBondContact OG-CB 3.42Å; R172-H176 PolarHBondContact NE-NE2 3.36Å; R172-H176 PolarHBondContact O-CD2 3.46Å; R172-H176 VanDerWaalsContact O-CD2 3.24Å; R172-H176 PolarHBondContact O-N 3.38Å; R172-H176 VanDerWaalsContact O-N 3.12Å; F173-H176 PolarHBondContact O-N 2.9Å; H176-N179 PolarHBondContact O-N 2.92Å; H176-Q180 PolarHBondContact O-N 2.99Å; H176-E213 IonicContact CD2-OE2 3.63Å; H176-E213 IonicContact CE1-OE2 3.85Å; H176-E213 PolarHBondContact CE1-OE2 3.07Å; H176-E213 WeakPolarHBondContact NE2-CG 3.38Å; H176-E213 IonicContact NE2-OE1 2.73Å; H176-E213 CovalentContact NE2-OE2 1.79Å; H176-E213 IonicContact NE2-OE2 3.35Å; H176-E213 PolarHBondContact NE2-OE2 3.02Å
177	L	96.3	Very high	95	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-70.9	-28.7	173.2	-71.7	173.6	0	0	0	113.2	S130 V133 V147 L151 F173 L174 A175 K181 V182 V183	S130-L177 PolarHBondContact OG-N 3.3Å; V133-L177 HydrophobicContact CB-CD2 3.86Å; V133-L177 HydrophobicContact CG1-CD2 3.63Å; V133-L177 HydrophobicContact CG2-CD2 4.44Å; V147-L177 HydrophobicContact CG1-CD1 4.08Å; L151-L177 HydrophobicContact CD1-CD1 3.4Å; L151-L177 VanDerWaalsContact CD1-CD1 3.4Å; F173-L177 HydrophobicContact CD2-CD1 4.01Å; F173-L177 HydrophobicContact CD2-CD2 4.48Å; F173-L177 HydrophobicContact CD2-CG 3.91Å; F173-L177 HydrophobicContact CE2-CD1 4.13Å; F173-L177 HydrophobicContact CE2-CD2 4.08Å; F173-L177 HydrophobicContact CE2-CG 4Å; F173-L177 WeakPolarHBondContact O-CG 3.41Å; F173-L177 PolarHBondContact O-N 3.36Å; L174-L177 PolarHBondContact O-N 2.94Å; A175-L177 VanDerWaalsContact C-N 3.34Å; A175-L177 PolarHBondContact O-N 3.12Å; L177-K181 PolarHBondContact O-N 2.96Å; L177-V182 HydrophobicContact CB-CB 4.4Å; L177-V182 HydrophobicContact CD2-CB 4.08Å; L177-V182 HydrophobicContact CD2-CG1 4.26Å; L177-V182 HydrophobicContact CD2-CG2 4.15Å; L177-V182 PolarHBondContact O-N 2.95Å; L177-V183 HydrophobicContact CB-CG2 3.9Å; L177-V183 HydrophobicContact CD1-CG2 4.43Å; L177-V183 PolarHBondContact O-N 3.19Å
178	V	95.6	Very high	95	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.012	9%	0.092	C	C	.	.	H	α-helix	trans	-73.3	-39.7	169.7	170.1	0	0	0	0	111.2	L174 A175 Q180 K181 V183 E185 I187 I188 M217	L174-V178 PolarHBondContact O-N 2.85Å; A175-V178 PolarHBondContact O-N 2.89Å; V178-Q180 VanDerWaalsContact C-N 3.31Å; V178-Q180 PolarHBondContact O-N 2.87Å; V178-K181 PolarHBondContact O-N 3.26Å; V178-V183 HydrophobicContact CG2-CB 4.21Å; V178-E185 HydrophobicContact CG1-CB 3.59Å; V178-I187 HydrophobicContact CG2-CG2 4.3Å; V178-I188 HydrophobicContact CB-CG1 4.39Å; V178-I188 HydrophobicContact CG2-CG1 3.69Å; V178-M217 HydrophobicContact CG1-CG 4.25Å; V178-M217 WeakPolarHBondContact O-CE 3.37Å
179	N	95	Very high	95	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-58.8	-43	173.9	-73.8	8.1	0	0	0	112.2	A175 H176 K181 E213 C214 M217 I266	A175-N179 PolarHBondContact O-N 3.11Å; A175-N179 VanDerWaalsContact O-N 3.09Å; A175-N179 PolarHBondContact O-OD1 2.76Å; H176-N179 PolarHBondContact O-N 2.92Å; N179-K181 PolarHBondContact O-N 3.27Å; N179-E213 PolarHBondContact ND2-O 3.38Å; N179-C214 VanDerWaalsContact OD1-CA 3.24Å; N179-C214 WeakPolarHBondContact OD1-CA 3.18Å; N179-C214 WeakPolarHBondContact OD1-CB 3.15Å; N179-M217 WeakPolarHBondContact OD1-CB 3.33Å; N179-I266 HydrophobicContact CB-CG2 3.77Å; N179-I266 VanDerWaalsContact CB-O 3.27Å; N179-I266 WeakPolarHBondContact CB-O 3.22Å; N179-I266 PolarHBondContact ND2-O 3.36Å
180	Q	94	Very high	94.9	Very high	14 Å²	14	20.3 Å²	20.3	7%	0.065	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	9.5	174.7	-71	-73.9	14.6	0	0	113.9	A134 H176 V178 V182 V267 L271	A134-Q180 HydrophobicContact CB-CB 4.14Å; H176-Q180 PolarHBondContact O-N 2.99Å; V178-Q180 VanDerWaalsContact C-N 3.31Å; V178-Q180 PolarHBondContact O-N 2.87Å; Q180-V182 HydrophobicContact CB-CG2 4.33Å; Q180-V182 PolarHBondContact O-N 3.48Å; Q180-V267 HydrophobicContact CG-CG2 4.31Å; Q180-L271 PolarHBondContact NE2-O 2.92Å
181	K	93.6	Very high	94.9	Very high	47 Å²	47	20.2 Å²	20.2	20%	0.204	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	30.1	-179.7	-58.1	158.4	173.1	-178.6	0	115.2	L177 V178 N179 V183 M217 E276 T281	L177-K181 PolarHBondContact O-N 2.96Å; V178-K181 PolarHBondContact O-N 3.26Å; N179-K181 PolarHBondContact O-N 3.27Å; K181-V183 VanDerWaalsContact C-N 3.29Å; K181-M217 HydrophobicContact CD-CE 4.27Å; K181-M217 HydrophobicContact CG-CE 3.44Å; K181-M217 VanDerWaalsContact CG-CE 3.44Å; K181-E276 IonicContact NZ-OE1 2.89Å; K181-E276 PolarHBondContact NZ-OE1 3.13Å; K181-T281 HydrophobicContact CB-CG2 4.16Å; K181-T281 WeakPolarHBondContact O-CG2 3.37Å
182	V	95.3	Very high	94.9	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.012	10%	0.095	C	C	.	.	S	Bend	trans	-75.1	-29.2	168.9	179.1	0	0	0	0	109.9	V133 A134 N137 L177 Q180 H282	V133-V182 HydrophobicContact CG1-CG1 4.08Å; V133-V182 HydrophobicContact CG1-CG2 4.45Å; A134-V182 HydrophobicContact CB-CG2 3.69Å; N137-V182 HydrophobicContact CB-CG1 4.29Å; L177-V182 HydrophobicContact CB-CB 4.4Å; L177-V182 HydrophobicContact CD2-CB 4.08Å; L177-V182 HydrophobicContact CD2-CG1 4.26Å; L177-V182 HydrophobicContact CD2-CG2 4.15Å; L177-V182 PolarHBondContact O-N 2.95Å; Q180-V182 HydrophobicContact CB-CG2 4.33Å; Q180-V182 PolarHBondContact O-N 3.48Å; V182-H282 PolarHBondContact O-CD2 2.69Å; V182-H282 VanDerWaalsContact O-CD2 3.3Å; V182-H282 PolarHBondContact O-N 2.7Å
183	V	95.8	Very high	94.8	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.018	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-130.8	140.3	-174.3	-172.4	0	0	0	0	109.6	L148 L177 V178 K181 I187	L148-V183 HydrophobicContact CB-CG2 4.48Å; L148-V183 HydrophobicContact CD1-CG1 3.77Å; L148-V183 HydrophobicContact CD1-CG2 3.92Å; L148-V183 HydrophobicContact CD2-CG1 3.87Å; L148-V183 HydrophobicContact CD2-CG2 4.16Å; L148-V183 HydrophobicContact CG-CG1 4.46Å; L148-V183 HydrophobicContact CG-CG2 4.41Å; L177-V183 HydrophobicContact CB-CG2 3.9Å; L177-V183 HydrophobicContact CD1-CG2 4.43Å; L177-V183 PolarHBondContact O-N 3.19Å; V178-V183 HydrophobicContact CG2-CB 4.21Å; K181-V183 VanDerWaalsContact C-N 3.29Å; V183-I187 HydrophobicContact CG1-CB 4.46Å; V183-I187 HydrophobicContact CG1-CG2 3.68Å
184	H	95.4	Very high	94.6	Very high	62 Å²	62	23.7 Å²	23.7	29%	0.287	12%	0.121	S	C	.	.			trans	-69.7	136.8	178.4	-164.6	-85.8	0	0	0	111.3	L186 I187 H282 T283	H184-L186 WeakPolarHBondContact ND1-CG 3.48Å; H184-L186 PolarHBondContact O-N 2.84Å; H184-I187 PolarHBondContact O-N 3.06Å; H184-H282 WeakPolarHBondContact CB-O 3.02Å; H184-H282 PolarHBondContact N-O 3.43Å; H184-T283 HydrophobicContact CB-CG2 4Å
185	E	93.2	Very high	94.4	Very high	29 Å²	29	23.9 Å²	23.9	14%	0.136	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-14.6	-166.5	70.7	-81.3	-171.9	0	0	115.2	V178 I187 I188 L189 L218 L221 V222	V178-E185 HydrophobicContact CG1-CB 3.59Å; E185-I187 PolarHBondContact O-N 2.84Å; E185-I188 PolarHBondContact O-N 3.44Å; E185-L189 PolarHBondContact O-N 2.83Å; E185-L218 HydrophobicContact CB-CD2 3.78Å; E185-L218 HydrophobicContact CG-CD2 4.31Å; E185-L221 HydrophobicContact CG-CB 4.3Å; E185-L221 HydrophobicContact CG-CD1 4.23Å; E185-V222 HydrophobicContact CG-CG2 3.61Å; E185-V222 WeakPolarHBondContact OE1-CG2 3.48Å
186	L	92.9	Very high	94.2	Very high	98 Å²	98	24 Å²	24	51%	0.513	12%	0.122	S	C	.	.	H	α-helix	trans	-51.3	-38	172.6	-76.6	171.6	0	0	0	112.3	H184 I188 L189 E190	H184-L186 WeakPolarHBondContact ND1-CG 3.48Å; H184-L186 PolarHBondContact O-N 2.84Å; L186-I188 PolarHBondContact O-N 2.88Å; L186-L189 HydrophobicContact CD2-CD1 4.42Å; L186-L189 WeakPolarHBondContact O-CB 3.17Å; L186-L189 PolarHBondContact O-N 3.32Å; L186-E190 WeakPolarHBondContact O-CG 3.45Å; L186-E190 PolarHBondContact O-N 3.25Å
187	I	94.1	Very high	93.8	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.015	15%	0.151	C	C	.	.	H	α-helix	trans	-63.1	-30.2	-178.6	-157.7	173.8	0	0	0	112.8	L148 I152 L174 V178 V183 H184 E185 L191 L286	L148-I187 HydrophobicContact CD1-CD1 3.72Å; I152-I187 HydrophobicContact CD1-CD1 3.74Å; I152-I187 HydrophobicContact CG1-CD1 3.77Å; L174-I187 HydrophobicContact CD2-CD1 4.46Å; V178-I187 HydrophobicContact CG2-CG2 4.3Å; V183-I187 HydrophobicContact CG1-CB 4.46Å; V183-I187 HydrophobicContact CG1-CG2 3.68Å; H184-I187 PolarHBondContact O-N 3.06Å; E185-I187 PolarHBondContact O-N 2.84Å; I187-L191 WeakPolarHBondContact O-CB 3.22Å; I187-L191 PolarHBondContact O-N 3.49Å; I187-L286 HydrophobicContact CG1-CB 4.02Å; I187-L286 HydrophobicContact CG1-CD1 4.38Å
188	I	95.2	Very high	93.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-79.4	-32.3	176.6	-64.4	-66.2	0	0	0	110.6	L174 V178 E185 L186 L191 L192 V210 L218	L174-I188 HydrophobicContact CB-CD1 3.8Å; V178-I188 HydrophobicContact CB-CG1 4.39Å; V178-I188 HydrophobicContact CG2-CG1 3.69Å; E185-I188 PolarHBondContact O-N 3.44Å; L186-I188 PolarHBondContact O-N 2.88Å; I188-L191 PolarHBondContact O-N 3.12Å; I188-L192 HydrophobicContact CG2-CD1 3.69Å; I188-L192 HydrophobicContact CG2-CG 4.16Å; I188-L192 VanDerWaalsContact O-CB 3.27Å; I188-L192 WeakPolarHBondContact O-CB 3.41Å; I188-L192 WeakPolarHBondContact O-CG 3.3Å; I188-L192 PolarHBondContact O-N 2.91Å; I188-V210 HydrophobicContact CD1-CG1 4.24Å; I188-V210 HydrophobicContact CG2-CG1 3.75Å; I188-L218 HydrophobicContact CB-CD2 4.45Å; I188-L218 HydrophobicContact CG2-CD1 3.81Å; I188-L218 HydrophobicContact CG2-CD2 4.39Å
189	L	93.4	Very high	92.9	Very high	24 Å²	24	40.8 Å²	40.8	13%	0.126	21%	0.206	C	C	.	.	H	α-helix	trans	-65.6	-43.8	171.7	-60.4	175.9	0	0	0	110.8	E185 L186 L192 T193 V222 I229	E185-L189 PolarHBondContact O-N 2.83Å; L186-L189 HydrophobicContact CD2-CD1 4.42Å; L186-L189 WeakPolarHBondContact O-CB 3.17Å; L186-L189 PolarHBondContact O-N 3.32Å; L189-L192 PolarHBondContact O-N 3.02Å; L189-T193 WeakPolarHBondContact O-CG2 3.38Å; L189-T193 PolarHBondContact O-N 3.2Å; L189-T193 PolarHBondContact O-OG1 3.48Å; L189-T193 VanDerWaalsContact O-OG1 3.1Å; L189-V222 HydrophobicContact CD1-CB 4.12Å; L189-V222 HydrophobicContact CD1-CG1 3.8Å; L189-V222 HydrophobicContact CD1-CG2 4.32Å; L189-I229 HydrophobicContact CD2-CD1 3.57Å
190	E	93.5	Very high	92.6	Very high	53 Å²	53	44.3 Å²	44.3	25%	0.248	23%	0.228	C	C	.	.	H	α-helix	trans	-60.9	-42.7	172.2	-68.4	176.9	151.2	0	0	112.6	L186 T193 L194 S285 L286	L186-E190 WeakPolarHBondContact O-CG 3.45Å; L186-E190 PolarHBondContact O-N 3.25Å; E190-T193 WeakPolarHBondContact CA-OG1 3.44Å; E190-T193 PolarHBondContact O-OG1 3.33Å; E190-T193 VanDerWaalsContact O-OG1 3.07Å; E190-L194 WeakPolarHBondContact O-CB 3.28Å; E190-L194 PolarHBondContact O-N 3.02Å; E190-S285 WeakPolarHBondContact OE1-CB 3.37Å; E190-S285 PolarHBondContact OE1-OG 2.89Å; E190-S285 WeakPolarHBondContact OE2-CA 3.46Å; E190-S285 PolarHBondContact OE2-OG 3.44Å; E190-S285 VanDerWaalsContact OE2-OG 3.11Å; E190-L286 HydrophobicContact CB-CB 4.13Å; E190-L286 HydrophobicContact CB-CD2 4.31Å; E190-L286 VanDerWaalsContact OE2-CB 3.32Å; E190-L286 WeakPolarHBondContact OE2-CB 3.41Å; E190-L286 PolarHBondContact OE2-N 2.97Å
191	L	94	Very high	92.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.1	-41.7	177.7	-177.5	148.3	0	0	0	111.5	F155 A171 L174 I187 I188 L195 V210 L286	F155-L191 HydrophobicContact CD1-CD1 4.41Å; F155-L191 HydrophobicContact CD2-CD1 4.05Å; F155-L191 HydrophobicContact CE1-CD1 4.1Å; F155-L191 HydrophobicContact CE1-CG 4.21Å; F155-L191 HydrophobicContact CE2-CD1 3.72Å; F155-L191 HydrophobicContact CE2-CG 4.13Å; F155-L191 HydrophobicContact CG-CD1 4.39Å; F155-L191 HydrophobicContact CZ-CD1 3.75Å; F155-L191 HydrophobicContact CZ-CG 3.75Å; A171-L191 HydrophobicContact CB-CD1 3.9Å; A171-L191 HydrophobicContact CB-CD2 4.18Å; L174-L191 HydrophobicContact CD1-CD1 3.88Å; I187-L191 WeakPolarHBondContact O-CB 3.22Å; I187-L191 PolarHBondContact O-N 3.49Å; I188-L191 PolarHBondContact O-N 3.12Å; L191-L195 HydrophobicContact CD2-CD1 3.59Å; L191-L195 HydrophobicContact CD2-CG 4.45Å; L191-L195 HydrophobicContact CG-CD1 4.39Å; L191-L195 WeakPolarHBondContact O-CB 3.4Å; L191-L195 VanDerWaalsContact O-CG 3.27Å; L191-L195 WeakPolarHBondContact O-CG 3.34Å; L191-L195 PolarHBondContact O-N 3.48Å; L191-V210 HydrophobicContact CD2-CG1 4.33Å; L191-V210 HydrophobicContact CD2-CG2 4.01Å; L191-L286 HydrophobicContact CB-CD2 3.95Å
192	L	94.5	Very high	92.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-74.5	-33.7	179.5	-71.1	170.5	0	0	0	112.6	I188 L189 L196 A207 V210 L211 L218 I229	I188-L192 HydrophobicContact CG2-CD1 3.69Å; I188-L192 HydrophobicContact CG2-CG 4.16Å; I188-L192 VanDerWaalsContact O-CB 3.27Å; I188-L192 WeakPolarHBondContact O-CB 3.41Å; I188-L192 WeakPolarHBondContact O-CG 3.3Å; I188-L192 PolarHBondContact O-N 2.91Å; L189-L192 PolarHBondContact O-N 3.02Å; L192-L196 WeakPolarHBondContact O-CB 3.41Å; L192-L196 VanDerWaalsContact O-CG 3.22Å; L192-L196 WeakPolarHBondContact O-CG 3.38Å; L192-L196 PolarHBondContact O-N 3.02Å; L192-A207 HydrophobicContact CD2-CB 3.77Å; L192-V210 HydrophobicContact CD1-CG1 4.34Å; L192-V210 HydrophobicContact CD2-CB 4.16Å; L192-V210 HydrophobicContact CD2-CG1 4.08Å; L192-V210 HydrophobicContact CG-CG1 4.28Å; L192-L211 HydrophobicContact CD1-CD2 3.66Å; L192-L211 HydrophobicContact CD1-CG 3.86Å; L192-L211 HydrophobicContact CD2-CD1 4.41Å; L192-L211 HydrophobicContact CD2-CG 4.05Å; L192-L218 HydrophobicContact CD1-CD1 4.29Å; L192-I229 HydrophobicContact CB-CD1 3.98Å; L192-I229 HydrophobicContact CD1-CD1 3.9Å
193	T	93	Very high	92.2	Very high	84 Å²	84	48.7 Å²	48.7	52%	0.515	25%	0.254	S	S	.	.	H	α-helix	trans	-68.2	-43.2	171.3	51.4	0	0	0	0	111.2	L189 E190 L195 L196 E197	L189-T193 WeakPolarHBondContact O-CG2 3.38Å; L189-T193 PolarHBondContact O-N 3.2Å; L189-T193 PolarHBondContact O-OG1 3.48Å; L189-T193 VanDerWaalsContact O-OG1 3.1Å; E190-T193 WeakPolarHBondContact CA-OG1 3.44Å; E190-T193 PolarHBondContact O-OG1 3.33Å; E190-T193 VanDerWaalsContact O-OG1 3.07Å; T193-L195 PolarHBondContact O-N 3.44Å; T193-L196 CarbonylContact O-C 3.22Å; T193-L196 PolarHBondContact O-N 3.2Å; T193-L196 VanDerWaalsContact O-N 3.15Å; T193-E197 PolarHBondContact O-N 3.34Å
194	L	93.1	Very high	92	Very high	47 Å²	47	48.7 Å²	48.7	25%	0.246	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-38.1	177.3	178.5	151.4	0	0	0	112.9	F155 F159 E190 L196 L286	F155-L194 HydrophobicContact CE1-CD2 4.25Å; F159-L194 HydrophobicContact CD1-CD2 4.08Å; F159-L194 HydrophobicContact CD2-CD2 4.23Å; F159-L194 HydrophobicContact CE1-CD2 3.69Å; F159-L194 HydrophobicContact CE1-CG 4.49Å; F159-L194 HydrophobicContact CE2-CD2 3.87Å; F159-L194 HydrophobicContact CG-CD2 4.33Å; F159-L194 HydrophobicContact CZ-CD2 3.58Å; E190-L194 WeakPolarHBondContact O-CB 3.28Å; E190-L194 PolarHBondContact O-N 3.02Å; L194-L196 VanDerWaalsContact C-N 3.34Å; L194-L286 HydrophobicContact CD1-CD2 4.28Å
195	L	92.5	Very high	91.9	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-71.6	-26.1	175.3	-73	174.1	0	0	0	113.5	F155 F159 L191 T193 S203 V206 A207	F155-L195 HydrophobicContact CZ-CD2 4.38Å; F159-L195 HydrophobicContact CD2-CD2 4.18Å; F159-L195 HydrophobicContact CE2-CD2 3.89Å; L191-L195 HydrophobicContact CD2-CD1 3.59Å; L191-L195 HydrophobicContact CD2-CG 4.45Å; L191-L195 HydrophobicContact CG-CD1 4.39Å; L191-L195 WeakPolarHBondContact O-CB 3.4Å; L191-L195 VanDerWaalsContact O-CG 3.27Å; L191-L195 WeakPolarHBondContact O-CG 3.34Å; L191-L195 PolarHBondContact O-N 3.48Å; T193-L195 PolarHBondContact O-N 3.44Å; L195-S203 VanDerWaalsContact O-CB 3.24Å; L195-S203 WeakPolarHBondContact O-CB 3.47Å; L195-S203 PolarHBondContact O-OG 3.07Å; L195-V206 HydrophobicContact CD1-CB 4.08Å; L195-V206 HydrophobicContact CD1-CG1 3.67Å; L195-V206 HydrophobicContact CD2-CG1 4.5Å; L195-A207 HydrophobicContact CB-CB 4.21Å; L195-A207 HydrophobicContact CD1-CB 4.14Å
196	L	91.3	Very high	92	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-101.7	-9.4	-176.9	-63	175.9	0	0	0	113.9	L192 T193 L194 Q198 T199 V204 A207 I229 H232 L233 I236	L192-L196 WeakPolarHBondContact O-CB 3.41Å; L192-L196 VanDerWaalsContact O-CG 3.22Å; L192-L196 WeakPolarHBondContact O-CG 3.38Å; L192-L196 PolarHBondContact O-N 3.02Å; T193-L196 CarbonylContact O-C 3.22Å; T193-L196 PolarHBondContact O-N 3.2Å; T193-L196 VanDerWaalsContact O-N 3.15Å; L194-L196 VanDerWaalsContact C-N 3.34Å; L196-Q198 VanDerWaalsContact C-N 3.34Å; L196-T199 WeakPolarHBondContact O-CG2 3.49Å; L196-V204 HydrophobicContact CD2-CG2 4.2Å; L196-A207 HydrophobicContact CD2-CB 4.11Å; L196-A207 HydrophobicContact CG-CB 4.36Å; L196-I229 HydrophobicContact CD1-CG2 4.02Å; L196-H232 PolarHBondContact O-CE1 3.13Å; L196-L233 HydrophobicContact CD1-CD2 3.98Å; L196-L233 HydrophobicContact CD2-CD2 3.84Å; L196-I236 HydrophobicContact CD2-CD1 3.92Å
197	E	89.3	Confident	92.1	Very high	156 Å²	156	41.2 Å²	41.2	73%	0.729	22%	0.217	S	C	*	.	H	α-helix	trans	-66.3	-37.2	172.9	-176.1	178.2	-174.1	0	0	111.8	T193	T193-E197 PolarHBondContact O-N 3.34Å
198	Q	85.3	Confident	92.1	Very high	149 Å²	149	41.1 Å²	41.1	70%	0.696	22%	0.217	S	C	*	.	S	Bend	trans	-119.4	95.5	171.7	-65.2	-173.8	3.5	0	0	108.8	L196 T200 S203	L196-Q198 VanDerWaalsContact C-N 3.34Å; Q198-T200 PolarHBondContact O-N 2.94Å; Q198-S203 PolarHBondContact O-OG 3.05Å; Q198-S203 VanDerWaalsContact O-OG 3.04Å
199	T	86.1	Confident	92.1	Very high	77 Å²	77	42.3 Å²	42.3	47%	0.472	23%	0.225	S	C	.	.			trans	-73.4	115.5	-175.3	45.2	0	0	0	0	111.1	L196 I236	L196-T199 WeakPolarHBondContact O-CG2 3.49Å; T199-I236 HydrophobicContact CG2-CD1 3.49Å; T199-I236 VanDerWaalsContact CG2-CD1 3.49Å; T199-I236 HydrophobicContact CG2-CG1 3.87Å
200	T	88.8	Confident	92.1	Very high	78 Å²	78	41.3 Å²	41.3	48%	0.479	22%	0.22	S	C	.	.			trans	-133.2	153.9	172.7	63.9	0	0	0	0	108.4	Q198 D202 S203 V204	Q198-T200 PolarHBondContact O-N 2.94Å; T200-D202 PolarHBondContact O-N 3.04Å; T200-D202 VanDerWaalsContact O-N 3.15Å; T200-S203 PolarHBondContact N-OG 3.24Å; T200-S203 PolarHBondContact O-N 3.09Å; T200-S203 VanDerWaalsContact O-N 3.07Å; T200-S203 PolarHBondContact O-OG 2.99Å; T200-S203 VanDerWaalsContact OG1-CB 3.29Å; T200-S203 WeakPolarHBondContact OG1-CB 3.49Å; T200-S203 PolarHBondContact OG1-N 3.09Å; T200-S203 PolarHBondContact OG1-OG 3.21Å; T200-V204 WeakPolarHBondContact O-CG2 3.41Å; T200-V204 PolarHBondContact O-N 3.4Å
201	D	90.4	Very high	92.2	Very high	76 Å²	76	38.8 Å²	38.8	41%	0.406	21%	0.208	S	C	.	.	H	α-helix	trans	-53.8	-38.9	179.7	-63.2	-42.9	0	0	0	111.7	E205 I246	D201-E205 WeakPolarHBondContact O-CB 3.22Å; D201-E205 PolarHBondContact O-N 3.34Å; D201-I246 HydrophobicContact CB-CD1 3.95Å; D201-I246 HydrophobicContact CB-CG1 3.92Å; D201-I246 WeakPolarHBondContact O-CD1 3.36Å; D201-I246 VanDerWaalsContact OD1-CG1 3.24Å; D201-I246 WeakPolarHBondContact OD1-CG1 3.33Å
202	D	91.6	Very high	92.3	Very high	70 Å²	70	41.2 Å²	41.2	37%	0.374	22%	0.219	S	C	.	.	H	α-helix	trans	-70.6	-40.8	176.9	-82.1	6.4	0	0	0	113.5	K164 T200 E205 V206	K164-D202 HydrophobicContact CD-CB 3.98Å; K164-D202 WeakPolarHBondContact CE-OD1 3.44Å; K164-D202 IonicContact NZ-OD1 2.76Å; K164-D202 PolarHBondContact NZ-OD1 3.31Å; K164-D202 IonicContact NZ-OD2 3.23Å; T200-D202 PolarHBondContact O-N 3.04Å; T200-D202 VanDerWaalsContact O-N 3.15Å; D202-E205 PolarHBondContact O-N 3.09Å; D202-V206 WeakPolarHBondContact O-CG2 3.22Å; D202-V206 PolarHBondContact O-N 1.79Å; D202-V206 VanDerWaalsContact O-N 3.1Å
203	S	92.1	Very high	92.2	Very high	8 Å²	8	42.1 Å²	42.1	6%	0.056	22%	0.223	C	C	.	.	H	α-helix	trans	-71.9	-35.7	178.7	66.1	0	0	0	0	112.2	L195 Q198 T200 V206 A207	L195-S203 VanDerWaalsContact O-CB 3.24Å; L195-S203 WeakPolarHBondContact O-CB 3.47Å; L195-S203 PolarHBondContact O-OG 3.07Å; Q198-S203 PolarHBondContact O-OG 3.05Å; Q198-S203 VanDerWaalsContact O-OG 3.04Å; T200-S203 PolarHBondContact N-OG 3.24Å; T200-S203 PolarHBondContact O-N 3.09Å; T200-S203 VanDerWaalsContact O-N 3.07Å; T200-S203 PolarHBondContact O-OG 2.99Å; T200-S203 VanDerWaalsContact OG1-CB 3.29Å; T200-S203 WeakPolarHBondContact OG1-CB 3.49Å; T200-S203 PolarHBondContact OG1-N 3.09Å; T200-S203 PolarHBondContact OG1-OG 3.21Å; S203-V206 PolarHBondContact O-N 2.89Å; S203-A207 WeakPolarHBondContact O-CB 3.44Å; S203-A207 PolarHBondContact O-N 3.23Å
204	V	92.6	Very high	92.3	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.018	20%	0.198	C	C	.	.	H	α-helix	trans	-68.9	-37.3	172.6	-179.4	0	0	0	0	111.1	L196 T200 A207 V208 I246 L250	L196-V204 HydrophobicContact CD2-CG2 4.2Å; T200-V204 WeakPolarHBondContact O-CG2 3.41Å; T200-V204 PolarHBondContact O-N 3.4Å; V204-A207 PolarHBondContact O-N 3.21Å; V204-V208 HydrophobicContact CG1-CG2 4.28Å; V204-V208 WeakPolarHBondContact O-CB 3.34Å; V204-V208 WeakPolarHBondContact O-CG2 3.48Å; V204-V208 PolarHBondContact O-N 2.86Å; V204-I246 HydrophobicContact CB-CG2 4.17Å; V204-I246 HydrophobicContact CG1-CG2 3.58Å; V204-L250 HydrophobicContact CG1-CD2 4.02Å
205	E	93.5	Very high	92.4	Very high	29 Å²	29	35.9 Å²	35.9	14%	0.136	19%	0.187	C	C	.	.	H	α-helix	trans	-59.5	-47.4	172.9	-178.1	169.6	-169.7	0	0	112.2	K164 D201 D202 S209 R245 M249	K164-E205 HydrophobicContact CD-CG 4.47Å; K164-E205 IonicContact NZ-OE2 3.64Å; K164-E205 PolarHBondContact NZ-OE2 3.29Å; D201-E205 WeakPolarHBondContact O-CB 3.22Å; D201-E205 PolarHBondContact O-N 3.34Å; D202-E205 PolarHBondContact O-N 3.09Å; E205-S209 WeakPolarHBondContact O-CB 3.33Å; E205-S209 PolarHBondContact O-N 3.46Å; E205-R245 VanDerWaalsContact CD-NH2 3.29Å; E205-R245 IonicContact OE1-CZ 2.64Å; E205-R245 IonicContact OE1-NH1 3.33Å; E205-R245 IonicContact OE1-NH2 3.48Å; E205-R245 PolarHBondContact OE1-NH2 2.98Å; E205-R245 IonicContact OE2-CZ 2.76Å; E205-R245 IonicContact OE2-NH1 3.57Å; E205-R245 PolarHBondContact OE2-NH1 2.91Å; E205-R245 IonicContact OE2-NH2 3Å; E205-R245 PolarHBondContact OE2-NH2 3.3Å; E205-M249 HydrophobicContact CB-CE 3.84Å; E205-M249 HydrophobicContact CG-CE 4.02Å; E205-M249 HydrophobicContact CG-SD 4.33Å
206	V	94.5	Very high	92.5	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	19%	0.192	C	C	.	.	H	α-helix	trans	-64.6	-43.2	176.2	177.9	0	0	0	0	111	K164 C167 L168 A171 L195 D202 S203 V208 S209 V210	K164-V206 HydrophobicContact CG-CG2 4.12Å; C167-V206 HydrophobicContact CB-CG1 4.46Å; C167-V206 HydrophobicContact CB-CG2 4.18Å; L168-V206 HydrophobicContact CB-CG2 4.3Å; A171-V206 HydrophobicContact CB-CG1 4.17Å; L195-V206 HydrophobicContact CD1-CB 4.08Å; L195-V206 HydrophobicContact CD1-CG1 3.67Å; L195-V206 HydrophobicContact CD2-CG1 4.5Å; D202-V206 WeakPolarHBondContact O-CG2 3.22Å; D202-V206 PolarHBondContact O-N 1.79Å; D202-V206 VanDerWaalsContact O-N 3.1Å; S203-V206 PolarHBondContact O-N 2.89Å; V206-V208 PolarHBondContact O-N 3.43Å; V206-S209 PolarHBondContact O-N 3.09Å; V206-V210 HydrophobicContact CG1-CG2 4.47Å; V206-V210 WeakPolarHBondContact O-CG2 3.47Å; V206-V210 PolarHBondContact O-N 3.26Å
207	A	95.1	Very high	92.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-42.8	179.5	0	0	0	0	0	112.6	L192 L195 L196 S203 V204 V210 L211	L192-A207 HydrophobicContact CD2-CB 3.77Å; L195-A207 HydrophobicContact CB-CB 4.21Å; L195-A207 HydrophobicContact CD1-CB 4.14Å; L196-A207 HydrophobicContact CD2-CB 4.11Å; L196-A207 HydrophobicContact CG-CB 4.36Å; S203-A207 WeakPolarHBondContact O-CB 3.44Å; S203-A207 PolarHBondContact O-N 3.23Å; V204-A207 PolarHBondContact O-N 3.21Å; A207-V210 PolarHBondContact O-N 3.35Å; A207-L211 WeakPolarHBondContact O-CB 3.18Å; A207-L211 WeakPolarHBondContact O-CG 3.41Å; A207-L211 PolarHBondContact O-N 2.76Å
208	V	94.6	Very high	92.8	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-64.7	-40.5	173.5	169.8	0	0	0	0	111	V204 V206 V210 L211 K212 M249 L250 M253	V204-V208 HydrophobicContact CG1-CG2 4.28Å; V204-V208 WeakPolarHBondContact O-CB 3.34Å; V204-V208 WeakPolarHBondContact O-CG2 3.48Å; V204-V208 PolarHBondContact O-N 2.86Å; V206-V208 PolarHBondContact O-N 3.43Å; V208-V210 PolarHBondContact O-N 3.38Å; V208-L211 PolarHBondContact O-N 2.66Å; V208-K212 WeakPolarHBondContact O-CG 3.43Å; V208-K212 PolarHBondContact O-N 3.24Å; V208-K212 VanDerWaalsContact O-N 3.09Å; V208-M249 HydrophobicContact CG1-CB 4.42Å; V208-L250 HydrophobicContact CG2-CD2 3.75Å; V208-M253 HydrophobicContact CG1-CB 4.45Å; V208-M253 HydrophobicContact CG1-CG 4.5Å; V208-M253 HydrophobicContact CG1-SD 3.93Å
209	S	94.3	Very high	93.2	Very high	25 Å²	25	23.8 Å²	23.8	18%	0.175	14%	0.137	C	C	.	.	H	α-helix	trans	-63.1	-39.5	176.7	-168	0	0	0	0	112.5	E205 V206 E213	E205-S209 WeakPolarHBondContact O-CB 3.33Å; E205-S209 PolarHBondContact O-N 3.46Å; V206-S209 PolarHBondContact O-N 3.09Å; S209-E213 WeakPolarHBondContact O-CG 3.43Å
210	V	95.3	Very high	93.6	Very high	2 Å²	2	28 Å²	28	1%	0.012	14%	0.144	C	C	.	.	H	α-helix	trans	-66.7	-47.9	175.6	169.2	0	0	0	0	110.8	A171 A175 I188 L191 L192 V206 A207 V208 K212 E213 C214	A171-V210 HydrophobicContact CB-CG2 3.44Å; A171-V210 VanDerWaalsContact CB-CG2 3.44Å; A175-V210 HydrophobicContact CB-CG1 4.35Å; I188-V210 HydrophobicContact CD1-CG1 4.24Å; I188-V210 HydrophobicContact CG2-CG1 3.75Å; L191-V210 HydrophobicContact CD2-CG1 4.33Å; L191-V210 HydrophobicContact CD2-CG2 4.01Å; L192-V210 HydrophobicContact CD1-CG1 4.34Å; L192-V210 HydrophobicContact CD2-CB 4.16Å; L192-V210 HydrophobicContact CD2-CG1 4.08Å; L192-V210 HydrophobicContact CG-CG1 4.28Å; V206-V210 HydrophobicContact CG1-CG2 4.47Å; V206-V210 WeakPolarHBondContact O-CG2 3.47Å; V206-V210 PolarHBondContact O-N 3.26Å; A207-V210 PolarHBondContact O-N 3.35Å; V208-V210 PolarHBondContact O-N 3.38Å; V210-K212 PolarHBondContact O-N 2.97Å; V210-E213 PolarHBondContact O-N 3.28Å; V210-E213 VanDerWaalsContact O-N 3.09Å; V210-C214 PolarHBondContact O-N 2.87Å; V210-C214 PolarHBondContact O-SG 3.44Å; V210-C214 VanDerWaalsContact O-SG 3.34Å
211	L	95.4	Very high	93.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.9	-29.8	-179	-80.8	167.8	0	0	0	113.6	L192 A207 V208 G215 L218 I229 L233 M253 W261	L192-L211 HydrophobicContact CD1-CD2 3.66Å; L192-L211 HydrophobicContact CD1-CG 3.86Å; L192-L211 HydrophobicContact CD2-CD1 4.41Å; L192-L211 HydrophobicContact CD2-CG 4.05Å; A207-L211 WeakPolarHBondContact O-CB 3.18Å; A207-L211 WeakPolarHBondContact O-CG 3.41Å; A207-L211 PolarHBondContact O-N 2.76Å; V208-L211 PolarHBondContact O-N 2.66Å; L211-G215 WeakPolarHBondContact O-CA 3.49Å; L211-G215 PolarHBondContact O-N 2.92Å; L211-L218 HydrophobicContact CD2-CD1 4.45Å; L211-I229 HydrophobicContact CD1-CG2 3.84Å; L211-I229 HydrophobicContact CD2-CG2 4.27Å; L211-L233 HydrophobicContact CD1-CD1 3.71Å; L211-M253 HydrophobicContact CB-CE 3.7Å; L211-M253 HydrophobicContact CB-SD 4.03Å; L211-W261 WeakPolarHBondContact O-CZ3 3.39Å
212	K	94.7	Very high	93.9	Very high	52 Å²	52	26 Å²	26	23%	0.226	13%	0.132	C	C	.	.	H	α-helix	trans	-65.5	-40	174	-75.1	-179.2	-178.7	-176.9	0	112.8	V208 V210 M253 I256 H264	V208-K212 WeakPolarHBondContact O-CG 3.43Å; V208-K212 PolarHBondContact O-N 3.24Å; V208-K212 VanDerWaalsContact O-N 3.09Å; V210-K212 PolarHBondContact O-N 2.97Å; K212-M253 HydrophobicContact CG-CE 4.28Å; K212-M253 HydrophobicContact CG-SD 3.78Å; K212-I256 HydrophobicContact CD-CD1 4.07Å; K212-I256 HydrophobicContact CG-CD1 3.99Å; K212-H264 WeakPolarHBondContact O-CB 3.35Å
213	E	93.9	Very high	94	Very high	18 Å²	18	26.2 Å²	26.2	8%	0.084	14%	0.137	C	C	.	.	H	α-helix	trans	-83.7	-38	-170	-52.5	-78	142.2	0	0	112.2	R172 A175 H176 N179 S209 V210	R172-E213 HydrophobicContact CG-CG 4.23Å; R172-E213 IonicContact CZ-OE1 3.33Å; R172-E213 IonicContact CZ-OE2 3.73Å; R172-E213 VanDerWaalsContact CZ-OE2 3.23Å; R172-E213 VanDerWaalsContact NE-CD 3.26Å; R172-E213 IonicContact NE-OE1 3.67Å; R172-E213 IonicContact NE-OE2 2.7Å; R172-E213 PolarHBondContact NE-OE2 3.32Å; R172-E213 IonicContact NH2-OE1 3.65Å; R172-E213 PolarHBondContact NH2-OE1 3.31Å; R172-E213 IonicContact NH2-OE2 3.9Å; R172-E213 PolarHBondContact NH2-OE2 3.12Å; A175-E213 HydrophobicContact CB-CB 4.12Å; H176-E213 IonicContact CD2-OE2 3.63Å; H176-E213 IonicContact CE1-OE2 3.85Å; H176-E213 PolarHBondContact CE1-OE2 3.07Å; H176-E213 WeakPolarHBondContact NE2-CG 3.38Å; H176-E213 IonicContact NE2-OE1 2.73Å; H176-E213 CovalentContact NE2-OE2 1.79Å; H176-E213 IonicContact NE2-OE2 3.35Å; H176-E213 PolarHBondContact NE2-OE2 3.02Å; N179-E213 PolarHBondContact ND2-O 3.38Å; S209-E213 WeakPolarHBondContact O-CG 3.43Å; V210-E213 PolarHBondContact O-N 3.28Å; V210-E213 VanDerWaalsContact O-N 3.09Å
214	C	94.8	Very high	94.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-114.7	2.1	-179.4	66.2	0	0	0	0	115	A175 N179 V210 A216 M217 L218	A175-C214 HydrophobicContact CB-CB 3.88Å; N179-C214 VanDerWaalsContact OD1-CA 3.24Å; N179-C214 WeakPolarHBondContact OD1-CA 3.18Å; N179-C214 WeakPolarHBondContact OD1-CB 3.15Å; V210-C214 PolarHBondContact O-N 2.87Å; V210-C214 PolarHBondContact O-SG 3.44Å; V210-C214 VanDerWaalsContact O-SG 3.34Å; C214-A216 PolarHBondContact O-N 3.32Å; C214-M217 WeakPolarHBondContact O-CB 3.46Å; C214-M217 PolarHBondContact O-N 3.03Å; C214-L218 WeakPolarHBondContact O-CG 3.44Å; C214-L218 PolarHBondContact O-N 3.41Å
215	G	93.9	Very high	94.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.9	-29.5	-175.9	0	0	0	0	0	114.4	L211 S219	L211-G215 WeakPolarHBondContact O-CA 3.49Å; L211-G215 PolarHBondContact O-N 2.92Å; G215-S219 VanDerWaalsContact O-CB 3.26Å; G215-S219 WeakPolarHBondContact O-CB 3.47Å; G215-S219 PolarHBondContact O-N 3.14Å; G215-S219 PolarHBondContact O-OG 2.96Å
216	A	94.4	Very high	94	Very high	15 Å²	15	34.4 Å²	34.4	12%	0.124	18%	0.177	C	C	.	.	H	α-helix	trans	-62.6	-47.5	171	0	0	0	0	0	112.1	C214 S219 R220 W261 I266	C214-A216 PolarHBondContact O-N 3.32Å; A216-S219 WeakPolarHBondContact O-CB 3.48Å; A216-S219 PolarHBondContact O-N 3.35Å; A216-R220 PolarHBondContact O-N 2.98Å; A216-W261 HydrophobicContact CB-CB 3.78Å; A216-W261 HydrophobicContact CB-CD2 4.31Å; A216-W261 HydrophobicContact CB-CG 3.81Å; A216-I266 HydrophobicContact CB-CD1 4.38Å; A216-I266 HydrophobicContact CB-CG1 3.63Å
217	M	94.1	Very high	94	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.02	20%	0.2	C	C	.	.	H	α-helix	trans	-66.1	-47.8	179.3	-173.9	55.1	149.9	0	0	111.6	V178 N179 K181 C214 S219 R220 L221 I266	V178-M217 HydrophobicContact CG1-CG 4.25Å; V178-M217 WeakPolarHBondContact O-CE 3.37Å; N179-M217 WeakPolarHBondContact OD1-CB 3.33Å; K181-M217 HydrophobicContact CD-CE 4.27Å; K181-M217 HydrophobicContact CG-CE 3.44Å; K181-M217 VanDerWaalsContact CG-CE 3.44Å; C214-M217 WeakPolarHBondContact O-CB 3.46Å; C214-M217 PolarHBondContact O-N 3.03Å; M217-S219 PolarHBondContact O-N 2.88Å; M217-R220 WeakPolarHBondContact O-CB 3.45Å; M217-R220 PolarHBondContact O-N 3.5Å; M217-L221 HydrophobicContact CE-CD1 3.83Å; M217-L221 HydrophobicContact CG-CD1 4.16Å; M217-L221 PolarHBondContact O-N 3.49Å; M217-L221 HydrophobicContact SD-CD1 3.89Å; M217-L221 HydrophobicContact SD-CG 4.1Å; M217-I266 HydrophobicContact CB-CD1 4.38Å; M217-I266 HydrophobicContact CB-CG1 4.27Å; M217-I266 HydrophobicContact CB-CG2 3.95Å; M217-I266 HydrophobicContact CG-CG2 4.24Å; M217-I266 HydrophobicContact SD-CD1 4.19Å; M217-I266 HydrophobicContact SD-CG2 3.98Å
218	L	94.7	Very high	94	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-33.6	175.6	-61	175.9	0	0	0	112.1	E185 I188 L192 L211 C214 R220 V222 V226	E185-L218 HydrophobicContact CB-CD2 3.78Å; E185-L218 HydrophobicContact CG-CD2 4.31Å; I188-L218 HydrophobicContact CB-CD2 4.45Å; I188-L218 HydrophobicContact CG2-CD1 3.81Å; I188-L218 HydrophobicContact CG2-CD2 4.39Å; L192-L218 HydrophobicContact CD1-CD1 4.29Å; L211-L218 HydrophobicContact CD2-CD1 4.45Å; C214-L218 WeakPolarHBondContact O-CG 3.44Å; C214-L218 PolarHBondContact O-N 3.41Å; L218-R220 VanDerWaalsContact C-N 3.34Å; L218-V222 CarbonylContact O-C 3.58Å; L218-V222 VanDerWaalsContact O-C 3.22Å; L218-V222 PolarHBondContact O-N 2.79Å; L218-V226 VanDerWaalsContact C-CG2 3.49Å; L218-V226 HydrophobicContact CB-CG2 3.36Å; L218-V226 WeakPolarHBondContact O-CG2 3.45Å
219	S	93.8	Very high	94	Very high	38 Å²	38	41.7 Å²	41.7	27%	0.266	22%	0.221	S	C	.	.	H	α-helix	trans	-69.5	-29.9	175.9	-62	0	0	0	0	112.8	G215 A216 M217 W261	G215-S219 VanDerWaalsContact O-CB 3.26Å; G215-S219 WeakPolarHBondContact O-CB 3.47Å; G215-S219 PolarHBondContact O-N 3.14Å; G215-S219 PolarHBondContact O-OG 2.96Å; A216-S219 WeakPolarHBondContact O-CB 3.48Å; A216-S219 PolarHBondContact O-N 3.35Å; M217-S219 PolarHBondContact O-N 2.88Å; S219-W261 PolarHBondContact OG-NE1 3.41Å
220	R	93	Very high	94	Very high	165 Å²	165	40.6 Å²	40.6	62%	0.623	21%	0.213	S	C	*	.	H	α-helix	trans	-76.2	-44.3	174.7	178.7	176.9	170.5	-176.1	-7.5	111.6	A216 M217 L218	A216-R220 PolarHBondContact O-N 2.98Å; M217-R220 WeakPolarHBondContact O-CB 3.45Å; M217-R220 PolarHBondContact O-N 3.5Å; L218-R220 VanDerWaalsContact C-N 3.34Å
221	L	92.5	Very high	93.9	Very high	75 Å²	75	44.2 Å²	44.2	39%	0.393	23%	0.229	S	C	.	.	H	α-helix	trans	-89	-53	-172.5	-59.7	-177.8	0	0	0	113.6	E185 M217 P223	E185-L221 HydrophobicContact CG-CB 4.3Å; E185-L221 HydrophobicContact CG-CD1 4.23Å; M217-L221 HydrophobicContact CE-CD1 3.83Å; M217-L221 HydrophobicContact CG-CD1 4.16Å; M217-L221 PolarHBondContact O-N 3.49Å; M217-L221 HydrophobicContact SD-CD1 3.89Å; M217-L221 HydrophobicContact SD-CG 4.1Å; L221-P223 VanDerWaalsContact O-CD 3.32Å; L221-P223 WeakPolarHBondContact O-CD 3.14Å
222	V	93.4	Very high	93.7	Very high	38 Å²	38	47.3 Å²	47.3	23%	0.23	24%	0.244	C	C	.	.			trans	-126.3	62.5	-172.7	-164.8	0	0	0	0	111.5	E185 L189 L218 K224 G225 V226	E185-V222 HydrophobicContact CG-CG2 3.61Å; E185-V222 WeakPolarHBondContact OE1-CG2 3.48Å; L189-V222 HydrophobicContact CD1-CB 4.12Å; L189-V222 HydrophobicContact CD1-CG1 3.8Å; L189-V222 HydrophobicContact CD1-CG2 4.32Å; L218-V222 CarbonylContact O-C 3.58Å; L218-V222 VanDerWaalsContact O-C 3.22Å; L218-V222 PolarHBondContact O-N 2.79Å; V222-K224 PolarHBondContact O-N 3.32Å; V222-K224 VanDerWaalsContact O-N 3.08Å; V222-G225 PolarHBondContact O-N 2.91Å; V222-V226 PolarHBondContact O-N 3.28Å; V222-V226 VanDerWaalsContact O-N 3.14Å
223	P	93.8	Very high	93.7	Very high	74 Å²	74	44.8 Å²	44.8	48%	0.481	23%	0.233	S	C	.	.	H	α-helix	trans	-59.9	-25.8	-176.4	23.1	-34.2	0	0	0	113.7	L221 H227	L221-P223 VanDerWaalsContact O-CD 3.32Å; L221-P223 WeakPolarHBondContact O-CD 3.14Å; P223-H227 WeakPolarHBondContact O-CB 3.33Å; P223-H227 PolarHBondContact O-N 3.13Å
224	K	94	Very high	93.6	Very high	188 Å²	188	50.3 Å²	50.3	82%	0.817	25%	0.253	S	S	*	.	H	α-helix	trans	-68.6	-42	173.7	-67.9	-178.5	-180	176.3	0	112.5	V222 H227 G228	V222-K224 PolarHBondContact O-N 3.32Å; V222-K224 VanDerWaalsContact O-N 3.08Å; K224-H227 WeakPolarHBondContact O-CB 3.38Å; K224-H227 PolarHBondContact O-N 2.89Å; K224-G228 PolarHBondContact O-N 3.1Å; K224-G228 VanDerWaalsContact O-N 3.13Å
225	G	91.8	Very high	93.5	Very high	22 Å²	22	56.5 Å²	56.5	23%	0.227	28%	0.276	C	S	.	.	H	α-helix	trans	-66.3	-46.5	177.2	0	0	0	0	0	111.2	V222 H227 G228 I229	V222-G225 PolarHBondContact O-N 2.91Å; G225-H227 VanDerWaalsContact C-N 3.28Å; G225-H227 PolarHBondContact O-N 3.39Å; G225-G228 PolarHBondContact O-N 3.27Å; G225-I229 WeakPolarHBondContact O-CG1 3.33Å; G225-I229 PolarHBondContact O-N 2.99Å
226	V	93.2	Very high	93.3	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-57.5	-40.5	172.4	179	0	0	0	0	111.6	L218 V222 I229 F230	L218-V226 VanDerWaalsContact C-CG2 3.49Å; L218-V226 HydrophobicContact CB-CG2 3.36Å; L218-V226 WeakPolarHBondContact O-CG2 3.45Å; V222-V226 PolarHBondContact O-N 3.28Å; V222-V226 VanDerWaalsContact O-N 3.14Å; V226-I229 PolarHBondContact O-N 2.98Å; V226-F230 HydrophobicContact CG1-CD2 3.65Å; V226-F230 HydrophobicContact CG1-CE2 3.81Å; V226-F230 WeakPolarHBondContact O-CD2 3.39Å; V226-F230 PolarHBondContact O-N 3.3Å
227	H	94.3	Very high	93	Very high	109 Å²	109	58.5 Å²	58.5	51%	0.505	29%	0.285	S	S	.	.	H	α-helix	trans	-59	-50	176.1	-167.6	111.2	0	0	0	111.8	P223 K224 G225 I229 F230 E231	P223-H227 WeakPolarHBondContact O-CB 3.33Å; P223-H227 PolarHBondContact O-N 3.13Å; K224-H227 WeakPolarHBondContact O-CB 3.38Å; K224-H227 PolarHBondContact O-N 2.89Å; G225-H227 VanDerWaalsContact C-N 3.28Å; G225-H227 PolarHBondContact O-N 3.39Å; H227-I229 PolarHBondContact O-N 3.12Å; H227-F230 PolarHBondContact O-N 3.5Å; H227-E231 PolarHBondContact O-N 3.06Å
228	G	94.1	Very high	92.8	Very high	37 Å²	37	64.2 Å²	64.2	38%	0.381	32%	0.315	S	S	.	.	H	α-helix	trans	-61.7	-41.1	178.9	0	0	0	0	0	113.3	K224 G225 E231 H232	K224-G228 PolarHBondContact O-N 3.1Å; K224-G228 VanDerWaalsContact O-N 3.13Å; G225-G228 PolarHBondContact O-N 3.27Å; G228-E231 WeakPolarHBondContact O-CB 3.5Å; G228-E231 PolarHBondContact O-N 3.04Å; G228-H232 PolarHBondContact O-N 2.96Å
229	I	94.4	Very high	92.2	Very high	11 Å²	11	70.4 Å²	70.4	6%	0.056	34%	0.344	C	S	.	.	H	α-helix	trans	-61.6	-47.7	176	-68	162.6	0	0	0	110.8	L189 L192 L196 L211 G225 V226 H227 E231 H232 L233	L189-I229 HydrophobicContact CD2-CD1 3.57Å; L192-I229 HydrophobicContact CB-CD1 3.98Å; L192-I229 HydrophobicContact CD1-CD1 3.9Å; L196-I229 HydrophobicContact CD1-CG2 4.02Å; L211-I229 HydrophobicContact CD1-CG2 3.84Å; L211-I229 HydrophobicContact CD2-CG2 4.27Å; G225-I229 WeakPolarHBondContact O-CG1 3.33Å; G225-I229 PolarHBondContact O-N 2.99Å; V226-I229 PolarHBondContact O-N 2.98Å; H227-I229 PolarHBondContact O-N 3.12Å; I229-E231 VanDerWaalsContact C-N 3.29Å; I229-E231 PolarHBondContact O-N 3.14Å; I229-H232 WeakPolarHBondContact O-CB 3.35Å; I229-H232 PolarHBondContact O-N 2.91Å; I229-H232 VanDerWaalsContact O-N 3.16Å; I229-L233 WeakPolarHBondContact O-CG 3.28Å; I229-L233 PolarHBondContact O-N 2.81Å
230	F	94.6	Very high	91.1	Very high	3 Å²	3	71.7 Å²	71.7	1%	0.013	36%	0.363	C	S	.	.	H	α-helix	trans	-69.1	-23.3	176.4	-89.5	-85.8	0	0	0	113.9	V226 H227 L233 R234 M253 F254 R257 W261	V226-F230 HydrophobicContact CG1-CD2 3.65Å; V226-F230 HydrophobicContact CG1-CE2 3.81Å; V226-F230 WeakPolarHBondContact O-CD2 3.39Å; V226-F230 PolarHBondContact O-N 3.3Å; H227-F230 PolarHBondContact O-N 3.5Å; F230-L233 HydrophobicContact CD1-CD1 4.42Å; F230-R234 PolarHBondContact O-N 3.21Å; F230-R234 VanDerWaalsContact O-N 3.12Å; F230-M253 HydrophobicContact CE1-CG 3.89Å; F230-M253 HydrophobicContact CZ-CE 3.82Å; F230-M253 HydrophobicContact CZ-CG 4.05Å; F230-F254 AromaticContact CD1-CD1 3.98Å; F230-F254 HydrophobicContact CD1-CD1 3.98Å; F230-F254 AromaticContact CD1-CE1 3.6Å; F230-F254 HydrophobicContact CD1-CE1 3.6Å; F230-F254 HydrophobicContact CD1-CZ 4.11Å; F230-F254 HydrophobicContact CE1-CD1 4.27Å; F230-F254 HydrophobicContact CE1-CE1 4.32Å; F230-R257 HydrophobicContact CE1-CB 4.1Å; F230-R257 HydrophobicContact CE1-CG 4.47Å; F230-R257 HydrophobicContact CZ-CB 3.92Å; F230-R257 HydrophobicContact CZ-CG 4.19Å; F230-W261 HydrophobicContact CE2-CH2 4.24Å; F230-W261 HydrophobicContact CE2-CZ2 4.34Å; F230-W261 HydrophobicContact CZ-CH2 4.08Å; F230-W261 HydrophobicContact CZ-CZ2 4.4Å
231	E	93.7	Very high	90.2	Very high	77 Å²	77	72.6 Å²	72.6	36%	0.36	38%	0.375	S	S	.	.	H	α-helix	trans	-68.8	-43.1	169.1	-160.5	-162.6	135.5	0	0	110.4	H227 G228 I229 R234 R235	H227-E231 PolarHBondContact O-N 3.06Å; G228-E231 WeakPolarHBondContact O-CB 3.5Å; G228-E231 PolarHBondContact O-N 3.04Å; I229-E231 VanDerWaalsContact C-N 3.29Å; I229-E231 PolarHBondContact O-N 3.14Å; E231-R234 WeakPolarHBondContact O-CB 3.3Å; E231-R234 PolarHBondContact O-N 3.44Å; E231-R234 VanDerWaalsContact O-N 3.1Å; E231-R235 WeakPolarHBondContact O-CG 3.21Å; E231-R235 PolarHBondContact O-N 2.76Å; E231-R235 IonicContact OE1-CZ 2.72Å; E231-R235 IonicContact OE1-NE 2.7Å; E231-R235 PolarHBondContact OE1-NE 3.42Å; E231-R235 IonicContact OE1-NH2 3.59Å; E231-R235 PolarHBondContact OE1-NH2 2.93Å
232	H	91.8	Very high	89.5	Confident	65 Å²	65	71 Å²	71	30%	0.301	37%	0.369	S	S	.	.	H	α-helix	trans	-60.9	-47.1	174.4	-157.4	166.9	0	0	0	111.3	L196 G228 I229 R234 R235 I236	L196-H232 PolarHBondContact O-CE1 3.13Å; G228-H232 PolarHBondContact O-N 2.96Å; I229-H232 WeakPolarHBondContact O-CB 3.35Å; I229-H232 PolarHBondContact O-N 2.91Å; I229-H232 VanDerWaalsContact O-N 3.16Å; H232-R234 PolarHBondContact O-N 2.58Å; H232-R235 WeakPolarHBondContact O-CB 3.25Å; H232-R235 PolarHBondContact O-N 2.94Å; H232-I236 WeakPolarHBondContact O-CG1 3.39Å; H232-I236 PolarHBondContact O-N 3.22Å
233	L	92.7	Very high	89.2	Confident	0 Å²	0	73 Å²	73	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-58.3	-29.8	173.7	-65.2	-173.6	0	0	0	113.3	L196 L211 I229 F230 I236 L237 L250 M253	L196-L233 HydrophobicContact CD1-CD2 3.98Å; L196-L233 HydrophobicContact CD2-CD2 3.84Å; L211-L233 HydrophobicContact CD1-CD1 3.71Å; I229-L233 WeakPolarHBondContact O-CG 3.28Å; I229-L233 PolarHBondContact O-N 2.81Å; F230-L233 HydrophobicContact CD1-CD1 4.42Å; L233-I236 HydrophobicContact CD2-CD1 4.3Å; L233-L237 WeakPolarHBondContact O-CB 3.46Å; L233-L237 PolarHBondContact O-N 3.48Å; L233-L237 VanDerWaalsContact O-N 3.15Å; L233-L250 HydrophobicContact CB-CD2 4.21Å; L233-L250 HydrophobicContact CD1-CD2 4.19Å; L233-L250 HydrophobicContact CD2-CD2 3.86Å; L233-L250 HydrophobicContact CG-CD2 4.3Å; L233-M253 HydrophobicContact CD1-CG 4.49Å
234	R	92.9	Very high	89	Confident	133 Å²	133	77.1 Å²	77.1	50%	0.502	39%	0.389	S	S	.	.	H	α-helix	trans	-74.1	-37.2	173.7	-175.6	178.8	-68.6	155.1	-2.5	112.5	F230 E231 H232 L237 N238 F254	F230-R234 PolarHBondContact O-N 3.21Å; F230-R234 VanDerWaalsContact O-N 3.12Å; E231-R234 WeakPolarHBondContact O-CB 3.3Å; E231-R234 PolarHBondContact O-N 3.44Å; E231-R234 VanDerWaalsContact O-N 3.1Å; H232-R234 PolarHBondContact O-N 2.58Å; R234-L237 PolarHBondContact O-N 3.09Å; R234-N238 VanDerWaalsContact O-CB 3.3Å; R234-N238 WeakPolarHBondContact O-CB 3.17Å; R234-N238 PolarHBondContact O-N 2.84Å; R234-N238 PolarHBondContact O-OD1 3.44Å; R234-F254 HydrophobicContact CB-CZ 4.03Å
235	R	91.6	Very high	88.9	Confident	130 Å²	130	73.7 Å²	73.7	49%	0.491	37%	0.371	S	S	.	.	H	α-helix	trans	-61.3	-50.1	174.2	-65.7	177.4	-167.9	-173.3	3	110.1	E231 H232 L237 N238 E239	E231-R235 WeakPolarHBondContact O-CG 3.21Å; E231-R235 PolarHBondContact O-N 2.76Å; E231-R235 IonicContact OE1-CZ 2.72Å; E231-R235 IonicContact OE1-NE 2.7Å; E231-R235 PolarHBondContact OE1-NE 3.42Å; E231-R235 IonicContact OE1-NH2 3.59Å; E231-R235 PolarHBondContact OE1-NH2 2.93Å; H232-R235 WeakPolarHBondContact O-CB 3.25Å; H232-R235 PolarHBondContact O-N 2.94Å; R235-L237 VanDerWaalsContact C-N 3.31Å; R235-L237 PolarHBondContact O-N 3.24Å; R235-N238 PolarHBondContact O-N 2.88Å; R235-E239 WeakPolarHBondContact O-CB 3.25Å; R235-E239 VanDerWaalsContact O-CG 3.3Å; R235-E239 WeakPolarHBondContact O-CG 3.02Å; R235-E239 PolarHBondContact O-N 3.31Å
236	I	89.6	Confident	88.9	Confident	9 Å²	9	72.7 Å²	72.7	5%	0.046	36%	0.36	C	S	.	.	H	α-helix	trans	-52.1	-46	174.8	-67.9	167.4	0	0	0	112	L196 T199 H232 L233 C242 L250	L196-I236 HydrophobicContact CD2-CD1 3.92Å; T199-I236 HydrophobicContact CG2-CD1 3.49Å; T199-I236 VanDerWaalsContact CG2-CD1 3.49Å; T199-I236 HydrophobicContact CG2-CG1 3.87Å; H232-I236 WeakPolarHBondContact O-CG1 3.39Å; H232-I236 PolarHBondContact O-N 3.22Å; L233-I236 HydrophobicContact CD2-CD1 4.3Å; I236-C242 WeakPolarHBondContact CG2-SG 3.46Å; I236-C242 PolarHBondContact O-SG 3.02Å; I236-C242 VanDerWaalsContact O-SG 3.33Å; I236-L250 HydrophobicContact CG2-CD1 3.93Å
237	L	89.4	Confident	88.9	Confident	49 Å²	49	74.2 Å²	74.2	26%	0.257	37%	0.371	S	S	.	.	H	α-helix	trans	-67.4	-39.3	176.8	-174.4	64.2	0	0	0	113	L233 R234 R235 S247 L250 F254	L233-L237 WeakPolarHBondContact O-CB 3.46Å; L233-L237 PolarHBondContact O-N 3.48Å; L233-L237 VanDerWaalsContact O-N 3.15Å; R234-L237 PolarHBondContact O-N 3.09Å; R235-L237 VanDerWaalsContact C-N 3.31Å; R235-L237 PolarHBondContact O-N 3.24Å; L237-S247 WeakPolarHBondContact CD1-OG 3.37Å; L237-L250 HydrophobicContact CB-CD1 4.15Å; L237-L250 HydrophobicContact CD1-CB 4.35Å; L237-L250 HydrophobicContact CD1-CD1 4.37Å; L237-F254 HydrophobicContact CD2-CD2 4.35Å; L237-F254 HydrophobicContact CD2-CE2 4.14Å
238	N	89	Confident	88.8	Confident	124 Å²	124	76.1 Å²	76.1	66%	0.663	38%	0.375	S	S	*	.	H	α-helix	trans	-79.4	-28.5	-176.5	-73.9	4.3	0	0	0	113.7	R234 R235 G240	R234-N238 VanDerWaalsContact O-CB 3.3Å; R234-N238 WeakPolarHBondContact O-CB 3.17Å; R234-N238 PolarHBondContact O-N 2.84Å; R234-N238 PolarHBondContact O-OD1 3.44Å; R235-N238 PolarHBondContact O-N 2.88Å; N238-G240 PolarHBondContact O-N 3.06Å
239	E	83.4	Confident	88.7	Confident	130 Å²	130	76 Å²	76	61%	0.607	37%	0.365	S	S	*	.	S	Bend	trans	-74.2	-13.7	-179.2	-75.5	164.5	-159.8	0	0	112.7	R235 Q241	R235-E239 WeakPolarHBondContact O-CB 3.25Å; R235-E239 VanDerWaalsContact O-CG 3.3Å; R235-E239 WeakPolarHBondContact O-CG 3.02Å; R235-E239 PolarHBondContact O-N 3.31Å; E239-Q241 PolarHBondContact O-N 2.97Å; E239-Q241 VanDerWaalsContact O-N 3.15Å
240	G	69.4	Low	88.7	Confident	64 Å²	64	75.5 Å²	75.5	66%	0.66	36%	0.362	S	S	*	.			trans	72.5	5.9	164.2	0	0	0	0	0	116.2	N238	N238-G240 PolarHBondContact O-N 3.06Å
241	Q	73.8	Confident	88.6	Confident	185 Å²	185	79.4 Å²	79.4	86%	0.864	38%	0.38	S	S	*	.			trans	-87.3	-0.5	-179.9	-60.2	-170.7	5.3	0	0	114.2	E239	E239-Q241 PolarHBondContact O-N 2.97Å; E239-Q241 VanDerWaalsContact O-N 3.15Å
242	C	78.2	Confident	88.7	Confident	41 Å²	41	79.1 Å²	79.1	28%	0.277	38%	0.384	S	S	.	.	S	Bend	trans	-81.9	151.1	-178.5	-61.5	0	0	0	0	112.8	I236 I246	I236-C242 WeakPolarHBondContact CG2-SG 3.46Å; I236-C242 PolarHBondContact O-SG 3.02Å; I236-C242 VanDerWaalsContact O-SG 3.33Å; C242-I246 HydrophobicContact CB-CB 4.19Å; C242-I246 HydrophobicContact CB-CG2 4.29Å
243	D	87.6	Confident	88.8	Confident	81 Å²	81	76 Å²	76	43%	0.433	37%	0.369	S	S	.	.			trans	-63.8	152.4	165.1	179.1	48.9	0	0	0	111.8	R245 I246 S247	D243-R245 PolarHBondContact O-N 2.66Å; D243-R245 WeakPolarHBondContact OD2-CB 3.41Å; D243-R245 PolarHBondContact OD2-N 3.25Å; D243-I246 WeakPolarHBondContact O-CA 3.36Å; D243-I246 WeakPolarHBondContact O-CB 3.16Å; D243-I246 PolarHBondContact O-N 2.99Å; D243-S247 PolarHBondContact O-N 3.08Å
244	K	90.4	Very high	88.9	Confident	160 Å²	160	77.5 Å²	77.5	70%	0.696	38%	0.376	S	S	*	.	H	α-helix	trans	-55.8	-35	177.4	-64	178.8	-178.7	177.1	0	112.2	I246 S247 Y248	K244-I246 VanDerWaalsContact C-N 3.29Å; K244-I246 PolarHBondContact O-N 3.16Å; K244-S247 PolarHBondContact O-N 3.23Å; K244-Y248 HydrophobicContact CB-CE2 4.44Å; K244-Y248 WeakPolarHBondContact O-CD2 3.41Å; K244-Y248 PolarHBondContact O-N 2.93Å; K244-Y248 VanDerWaalsContact O-N 3.11Å
245	R	92.2	Very high	89	Confident	115 Å²	115	74.9 Å²	74.9	43%	0.434	37%	0.369	S	S	.	.	H	α-helix	trans	-57.9	-43.1	173.8	-175.2	176.6	177.5	-102.1	-5.9	111.3	E205 D243 M249	E205-R245 VanDerWaalsContact CD-NH2 3.29Å; E205-R245 IonicContact OE1-CZ 2.64Å; E205-R245 IonicContact OE1-NH1 3.33Å; E205-R245 IonicContact OE1-NH2 3.48Å; E205-R245 PolarHBondContact OE1-NH2 2.98Å; E205-R245 IonicContact OE2-CZ 2.76Å; E205-R245 IonicContact OE2-NH1 3.57Å; E205-R245 PolarHBondContact OE2-NH1 2.91Å; E205-R245 IonicContact OE2-NH2 3Å; E205-R245 PolarHBondContact OE2-NH2 3.3Å; D243-R245 PolarHBondContact O-N 2.66Å; D243-R245 WeakPolarHBondContact OD2-CB 3.41Å; D243-R245 PolarHBondContact OD2-N 3.25Å; R245-M249 WeakPolarHBondContact O-CG 3.42Å; R245-M249 PolarHBondContact O-N 3.14Å
246	I	91.7	Very high	89.1	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-70.6	-42.4	179	-54.2	-50.1	0	0	0	110.8	D201 V204 C242 D243 K244 Y248 M249 L250	D201-I246 HydrophobicContact CB-CD1 3.95Å; D201-I246 HydrophobicContact CB-CG1 3.92Å; D201-I246 WeakPolarHBondContact O-CD1 3.36Å; D201-I246 VanDerWaalsContact OD1-CG1 3.24Å; D201-I246 WeakPolarHBondContact OD1-CG1 3.33Å; V204-I246 HydrophobicContact CB-CG2 4.17Å; V204-I246 HydrophobicContact CG1-CG2 3.58Å; C242-I246 HydrophobicContact CB-CB 4.19Å; C242-I246 HydrophobicContact CB-CG2 4.29Å; D243-I246 WeakPolarHBondContact O-CA 3.36Å; D243-I246 WeakPolarHBondContact O-CB 3.16Å; D243-I246 PolarHBondContact O-N 2.99Å; K244-I246 VanDerWaalsContact C-N 3.29Å; K244-I246 PolarHBondContact O-N 3.16Å; I246-Y248 PolarHBondContact O-N 2.85Å; I246-M249 HydrophobicContact CD1-CE 3.45Å; I246-M249 VanDerWaalsContact CD1-CE 3.45Å; I246-M249 PolarHBondContact O-N 3.27Å; I246-M249 VanDerWaalsContact O-N 3.1Å; I246-L250 HydrophobicContact CG2-CD1 4.1Å; I246-L250 HydrophobicContact CG2-CG 4.26Å; I246-L250 WeakPolarHBondContact O-CG 3.4Å; I246-L250 PolarHBondContact O-N 3.42Å
247	S	91.3	Very high	89.3	Confident	33 Å²	33	73.3 Å²	73.3	23%	0.231	36%	0.364	C	S	.	.	H	α-helix	trans	-51.3	-53.1	174.1	-166.9	0	0	0	0	111.7	L237 D243 K244 M249 L250 E251	L237-S247 WeakPolarHBondContact CD1-OG 3.37Å; D243-S247 PolarHBondContact O-N 3.08Å; K244-S247 PolarHBondContact O-N 3.23Å; S247-M249 VanDerWaalsContact C-N 3.33Å; S247-M249 PolarHBondContact O-N 3.21Å; S247-L250 PolarHBondContact O-N 3.03Å; S247-L250 VanDerWaalsContact O-N 3.11Å; S247-E251 WeakPolarHBondContact O-CG 3.45Å; S247-E251 PolarHBondContact O-N 2.97Å; S247-E251 PolarHBondContact OG-OE1 2.99Å
248	Y	93.4	Very high	89.5	Confident	150 Å²	150	78.9 Å²	78.9	59%	0.588	38%	0.382	S	S	*	.	H	α-helix	trans	-62.5	-36.2	179	-66.7	-51.1	0	0	0	113.1	K244 I246 V252	K244-Y248 HydrophobicContact CB-CE2 4.44Å; K244-Y248 WeakPolarHBondContact O-CD2 3.41Å; K244-Y248 PolarHBondContact O-N 2.93Å; K244-Y248 VanDerWaalsContact O-N 3.11Å; I246-Y248 PolarHBondContact O-N 2.85Å; Y248-V252 WeakPolarHBondContact O-CB 3.41Å; Y248-V252 VanDerWaalsContact O-CG2 3.3Å; Y248-V252 WeakPolarHBondContact O-CG2 3.34Å; Y248-V252 PolarHBondContact O-N 2.88Å
249	M	92.6	Very high	89.7	Confident	35 Å²	35	75.8 Å²	75.8	17%	0.172	37%	0.365	C	S	.	.	H	α-helix	trans	-66	-38.2	174.7	-70.9	-163.8	-44.4	0	0	112.4	E205 V208 R245 I246 S247 M253	E205-M249 HydrophobicContact CB-CE 3.84Å; E205-M249 HydrophobicContact CG-CE 4.02Å; E205-M249 HydrophobicContact CG-SD 4.33Å; V208-M249 HydrophobicContact CG1-CB 4.42Å; R245-M249 WeakPolarHBondContact O-CG 3.42Å; R245-M249 PolarHBondContact O-N 3.14Å; I246-M249 HydrophobicContact CD1-CE 3.45Å; I246-M249 VanDerWaalsContact CD1-CE 3.45Å; I246-M249 PolarHBondContact O-N 3.27Å; I246-M249 VanDerWaalsContact O-N 3.1Å; S247-M249 VanDerWaalsContact C-N 3.33Å; S247-M249 PolarHBondContact O-N 3.21Å; M249-M253 WeakPolarHBondContact O-CB 3.49Å; M249-M253 PolarHBondContact O-N 2.86Å
250	L	93.5	Very high	90.1	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-69.8	-41.3	176.1	-64.9	178	0	0	0	111.7	V204 V208 L233 I236 L237 I246 S247 V252 M253 F254	V204-L250 HydrophobicContact CG1-CD2 4.02Å; V208-L250 HydrophobicContact CG2-CD2 3.75Å; L233-L250 HydrophobicContact CB-CD2 4.21Å; L233-L250 HydrophobicContact CD1-CD2 4.19Å; L233-L250 HydrophobicContact CD2-CD2 3.86Å; L233-L250 HydrophobicContact CG-CD2 4.3Å; I236-L250 HydrophobicContact CG2-CD1 3.93Å; L237-L250 HydrophobicContact CB-CD1 4.15Å; L237-L250 HydrophobicContact CD1-CB 4.35Å; L237-L250 HydrophobicContact CD1-CD1 4.37Å; I246-L250 HydrophobicContact CG2-CD1 4.1Å; I246-L250 HydrophobicContact CG2-CG 4.26Å; I246-L250 WeakPolarHBondContact O-CG 3.4Å; I246-L250 PolarHBondContact O-N 3.42Å; S247-L250 PolarHBondContact O-N 3.03Å; S247-L250 VanDerWaalsContact O-N 3.11Å; L250-V252 PolarHBondContact O-N 3.28Å; L250-M253 WeakPolarHBondContact O-CA 3.42Å; L250-M253 WeakPolarHBondContact O-CB 3.2Å; L250-M253 PolarHBondContact O-N 3.01Å; L250-M253 VanDerWaalsContact O-N 3.12Å; L250-F254 WeakPolarHBondContact O-CD2 3.48Å; L250-F254 PolarHBondContact O-N 3.36Å
251	E	93	Very high	91.3	Very high	85 Å²	85	70 Å²	70	40%	0.397	33%	0.332	S	S	.	.	H	α-helix	trans	-58.5	-45.9	173.7	-72	162.5	-134.2	0	0	111.7	S247 M253 F254 Q255	S247-E251 WeakPolarHBondContact O-CG 3.45Å; S247-E251 PolarHBondContact O-N 2.97Å; S247-E251 PolarHBondContact OG-OE1 2.99Å; E251-M253 VanDerWaalsContact C-N 3.34Å; E251-M253 PolarHBondContact O-N 3.42Å; E251-F254 PolarHBondContact O-N 3.3Å; E251-Q255 PolarHBondContact O-N 3.05Å
252	V	94.6	Very high	92	Very high	71 Å²	71	68.5 Å²	68.5	43%	0.43	32%	0.323	S	S	.	.	H	α-helix	trans	-62.3	-39.6	172.8	169	0	0	0	0	111.4	Y248 L250 F254 Q255 I256	Y248-V252 WeakPolarHBondContact O-CB 3.41Å; Y248-V252 VanDerWaalsContact O-CG2 3.3Å; Y248-V252 WeakPolarHBondContact O-CG2 3.34Å; Y248-V252 PolarHBondContact O-N 2.88Å; L250-V252 PolarHBondContact O-N 3.28Å; V252-F254 VanDerWaalsContact C-N 3.33Å; V252-F254 PolarHBondContact O-N 2.91Å; V252-Q255 WeakPolarHBondContact O-CB 3.27Å; V252-Q255 PolarHBondContact O-N 3.2Å; V252-I256 HydrophobicContact CG1-CD1 3.91Å; V252-I256 HydrophobicContact CG1-CG1 4.43Å; V252-I256 WeakPolarHBondContact O-CG1 3.18Å; V252-I256 PolarHBondContact O-N 3.35Å
253	M	94.6	Very high	92.6	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-62	-39.4	175.4	-162.9	68.2	-133.3	0	0	112.2	V208 L211 K212 F230 L233 M249 L250 E251 Q255 R257 W261	V208-M253 HydrophobicContact CG1-CB 4.45Å; V208-M253 HydrophobicContact CG1-CG 4.5Å; V208-M253 HydrophobicContact CG1-SD 3.93Å; L211-M253 HydrophobicContact CB-CE 3.7Å; L211-M253 HydrophobicContact CB-SD 4.03Å; K212-M253 HydrophobicContact CG-CE 4.28Å; K212-M253 HydrophobicContact CG-SD 3.78Å; F230-M253 HydrophobicContact CE1-CG 3.89Å; F230-M253 HydrophobicContact CZ-CE 3.82Å; F230-M253 HydrophobicContact CZ-CG 4.05Å; L233-M253 HydrophobicContact CD1-CG 4.49Å; M249-M253 WeakPolarHBondContact O-CB 3.49Å; M249-M253 PolarHBondContact O-N 2.86Å; L250-M253 WeakPolarHBondContact O-CA 3.42Å; L250-M253 WeakPolarHBondContact O-CB 3.2Å; L250-M253 PolarHBondContact O-N 3.01Å; L250-M253 VanDerWaalsContact O-N 3.12Å; E251-M253 VanDerWaalsContact C-N 3.34Å; E251-M253 PolarHBondContact O-N 3.42Å; M253-Q255 VanDerWaalsContact C-N 3.33Å; M253-R257 PolarHBondContact O-N 3.43Å; M253-W261 HydrophobicContact CE-CH2 3.41Å; M253-W261 VanDerWaalsContact CE-CH2 3.41Å; M253-W261 HydrophobicContact CE-CZ3 3.42Å; M253-W261 VanDerWaalsContact CE-CZ3 3.42Å
254	F	94.8	Very high	92.7	Very high	31 Å²	31	71 Å²	71	14%	0.136	33%	0.332	C	S	.	.	H	α-helix	trans	-72	-21.9	172.6	-77.5	-67.8	0	0	0	113.3	F230 R234 L237 L250 E251 V252 R258	F230-F254 AromaticContact CD1-CD1 3.98Å; F230-F254 HydrophobicContact CD1-CD1 3.98Å; F230-F254 AromaticContact CD1-CE1 3.6Å; F230-F254 HydrophobicContact CD1-CE1 3.6Å; F230-F254 HydrophobicContact CD1-CZ 4.11Å; F230-F254 HydrophobicContact CE1-CD1 4.27Å; F230-F254 HydrophobicContact CE1-CE1 4.32Å; R234-F254 HydrophobicContact CB-CZ 4.03Å; L237-F254 HydrophobicContact CD2-CD2 4.35Å; L237-F254 HydrophobicContact CD2-CE2 4.14Å; L250-F254 WeakPolarHBondContact O-CD2 3.48Å; L250-F254 PolarHBondContact O-N 3.36Å; E251-F254 PolarHBondContact O-N 3.3Å; V252-F254 VanDerWaalsContact C-N 3.33Å; V252-F254 PolarHBondContact O-N 2.91Å; F254-R258 WeakPolarHBondContact O-CG 3.24Å; F254-R258 PolarHBondContact O-N 3.09Å; F254-R258 PolarHBondContact O-NE 2.93Å
255	Q	94.3	Very high	92.8	Very high	77 Å²	77	66.4 Å²	66.4	36%	0.36	32%	0.318	S	S	.	.	H	α-helix	trans	-74.3	-53.1	171.1	-173.4	62	50.3	0	0	111	E251 V252 M253 R257 R258 D259	E251-Q255 PolarHBondContact O-N 3.05Å; V252-Q255 WeakPolarHBondContact O-CB 3.27Å; V252-Q255 PolarHBondContact O-N 3.2Å; M253-Q255 VanDerWaalsContact C-N 3.33Å; Q255-R257 PolarHBondContact O-N 2.82Å; Q255-R257 VanDerWaalsContact O-N 3.16Å; Q255-R258 VanDerWaalsContact CA-NH2 3.32Å; Q255-R258 WeakPolarHBondContact O-CA 3.45Å; Q255-R258 WeakPolarHBondContact O-CB 3.44Å; Q255-R258 PolarHBondContact O-N 3.49Å; Q255-D259 WeakPolarHBondContact CG-OD2 3.05Å; Q255-D259 PolarHBondContact NE2-OD1 2.89Å; Q255-D259 PolarHBondContact NE2-OD2 3.11Å; Q255-D259 PolarHBondContact O-N 3.36Å
256	I	94.9	Very high	92.7	Very high	18 Å²	18	63 Å²	63	9%	0.092	31%	0.309	C	S	.	.	H	α-helix	trans	-52.6	-41.8	177.9	-67.7	165.8	0	0	0	111.8	K212 V252 D259 G260 W261	K212-I256 HydrophobicContact CD-CD1 4.07Å; K212-I256 HydrophobicContact CG-CD1 3.99Å; V252-I256 HydrophobicContact CG1-CD1 3.91Å; V252-I256 HydrophobicContact CG1-CG1 4.43Å; V252-I256 WeakPolarHBondContact O-CG1 3.18Å; V252-I256 PolarHBondContact O-N 3.35Å; I256-D259 PolarHBondContact O-N 3.13Å; I256-G260 PolarHBondContact O-N 3.15Å; I256-W261 HydrophobicContact CG2-CD2 4.32Å; I256-W261 HydrophobicContact CG2-CE3 3.52Å; I256-W261 HydrophobicContact CG2-CZ3 3.78Å; I256-W261 PolarHBondContact O-N 2.8Å
257	R	92.7	Very high	92.6	Very high	88 Å²	88	64.4 Å²	64.4	33%	0.332	32%	0.317	S	S	.	.	H	α-helix	trans	-65.8	-35.6	175.2	-175	179.1	179	-176.2	2.4	113.3	F230 M253 Q255 W261	F230-R257 HydrophobicContact CE1-CB 4.1Å; F230-R257 HydrophobicContact CE1-CG 4.47Å; F230-R257 HydrophobicContact CZ-CB 3.92Å; F230-R257 HydrophobicContact CZ-CG 4.19Å; M253-R257 PolarHBondContact O-N 3.43Å; Q255-R257 PolarHBondContact O-N 2.82Å; Q255-R257 VanDerWaalsContact O-N 3.16Å; R257-W261 HydrophobicContact CB-CZ2 4.45Å; R257-W261 HydrophobicContact CG-CZ2 4.43Å
258	R	93.8	Very high	92.5	Very high	167 Å²	167	66.2 Å²	66.2	63%	0.63	32%	0.323	S	S	*	.	H	α-helix	trans	-72.3	-35.8	176.9	-80.8	177.8	-73.6	134.1	-0.6	111.9	F254 Q255 G260	F254-R258 WeakPolarHBondContact O-CG 3.24Å; F254-R258 PolarHBondContact O-N 3.09Å; F254-R258 PolarHBondContact O-NE 2.93Å; Q255-R258 VanDerWaalsContact CA-NH2 3.32Å; Q255-R258 WeakPolarHBondContact O-CA 3.45Å; Q255-R258 WeakPolarHBondContact O-CB 3.44Å; Q255-R258 PolarHBondContact O-N 3.49Å; R258-G260 PolarHBondContact O-N 3.41Å
259	D	94.2	Very high	92.1	Very high	59 Å²	59	64.8 Å²	64.8	32%	0.316	33%	0.333	S	S	.	.	H	α-helix	trans	-75.5	-12.2	178	-67.6	-47.5	0	0	0	113.7	Q255 I256 K262	Q255-D259 WeakPolarHBondContact CG-OD2 3.05Å; Q255-D259 PolarHBondContact NE2-OD1 2.89Å; Q255-D259 PolarHBondContact NE2-OD2 3.11Å; Q255-D259 PolarHBondContact O-N 3.36Å; I256-D259 PolarHBondContact O-N 3.13Å; D259-K262 WeakPolarHBondContact O-CD 3.39Å; D259-K262 WeakPolarHBondContact O-CE 3.48Å; D259-K262 WeakPolarHBondContact O-CG 3.5Å; D259-K262 PolarHBondContact O-NZ 3.38Å
260	G	92.2	Very high	91.6	Very high	47 Å²	47	69.7 Å²	69.7	49%	0.485	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	30.6	174.1	0	0	0	0	0	114.1	I256 R258 K262	I256-G260 PolarHBondContact O-N 3.15Å; R258-G260 PolarHBondContact O-N 3.41Å; G260-K262 VanDerWaalsContact C-N 3.29Å; G260-K262 PolarHBondContact O-N 3.46Å
261	W	93.1	Very high	91.2	Very high	25 Å²	25	69.9 Å²	69.9	10%	0.095	36%	0.356	C	S	.	.	S	Bend	trans	63.7	22.1	177	-44.2	99.9	0	0	0	115.9	L211 A216 S219 F230 M253 I256 R257 D263 H264	L211-W261 WeakPolarHBondContact O-CZ3 3.39Å; A216-W261 HydrophobicContact CB-CB 3.78Å; A216-W261 HydrophobicContact CB-CD2 4.31Å; A216-W261 HydrophobicContact CB-CG 3.81Å; S219-W261 PolarHBondContact OG-NE1 3.41Å; F230-W261 HydrophobicContact CE2-CH2 4.24Å; F230-W261 HydrophobicContact CE2-CZ2 4.34Å; F230-W261 HydrophobicContact CZ-CH2 4.08Å; F230-W261 HydrophobicContact CZ-CZ2 4.4Å; M253-W261 HydrophobicContact CE-CH2 3.41Å; M253-W261 VanDerWaalsContact CE-CH2 3.41Å; M253-W261 HydrophobicContact CE-CZ3 3.42Å; M253-W261 VanDerWaalsContact CE-CZ3 3.42Å; I256-W261 HydrophobicContact CG2-CD2 4.32Å; I256-W261 HydrophobicContact CG2-CE3 3.52Å; I256-W261 HydrophobicContact CG2-CZ3 3.78Å; I256-W261 PolarHBondContact O-N 2.8Å; R257-W261 HydrophobicContact CB-CZ2 4.45Å; R257-W261 HydrophobicContact CG-CZ2 4.43Å; W261-D263 VanDerWaalsContact C-N 3.3Å; W261-D263 PolarHBondContact O-N 3.48Å; W261-H264 CarbonylContact O-C 3.16Å; W261-H264 WeakPolarHBondContact O-CA 3.08Å; W261-H264 PolarHBondContact O-N 3.13Å
262	K	89.3	Confident	90.9	Very high	153 Å²	153	70.5 Å²	70.5	67%	0.665	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-44.2	-177	-68.8	165	-175.8	140.6	0	114.1	D259 G260 H264	D259-K262 WeakPolarHBondContact O-CD 3.39Å; D259-K262 WeakPolarHBondContact O-CE 3.48Å; D259-K262 WeakPolarHBondContact O-CG 3.5Å; D259-K262 PolarHBondContact O-NZ 3.38Å; G260-K262 VanDerWaalsContact C-N 3.29Å; G260-K262 PolarHBondContact O-N 3.46Å; K262-H264 VanDerWaalsContact C-N 3.26Å; K262-H264 PolarHBondContact O-N 2.99Å
263	D	89.9	Confident	90.4	Very high	127 Å²	127	70.6 Å²	70.6	68%	0.679	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-2.9	-178.5	-44	-56.9	0	0	0	113	W261	W261-D263 VanDerWaalsContact C-N 3.3Å; W261-D263 PolarHBondContact O-N 3.48Å
264	H	91.3	Very high	89.9	Confident	48 Å²	48	71.4 Å²	71.4	22%	0.222	37%	0.367	C	S	.	.	S	Bend	trans	-133	65.5	-177.5	-65.4	-63	0	0	0	110.6	K212 W261 K262	K212-H264 WeakPolarHBondContact O-CB 3.35Å; W261-H264 CarbonylContact O-C 3.16Å; W261-H264 WeakPolarHBondContact O-CA 3.08Å; W261-H264 PolarHBondContact O-N 3.13Å; K262-H264 VanDerWaalsContact C-N 3.26Å; K262-H264 PolarHBondContact O-N 2.99Å
265	P	91	Very high	89.4	Confident	63 Å²	63	77.1 Å²	77.1	41%	0.409	39%	0.394	S	S	.	.			trans	-62.6	155.7	174.5	29.3	-36.3	0	0	0	111.5	L268	P265-L268 HydrophobicContact CG-CD2 3.89Å
266	I	91.6	Very high	88.9	Confident	45 Å²	45	79.6 Å²	79.6	23%	0.231	41%	0.406	C	S	.	.	S	Bend	trans	-64.8	-55.5	-176.7	-58.5	172	0	0	0	110.3	N179 A216 M217	N179-I266 HydrophobicContact CB-CG2 3.77Å; N179-I266 VanDerWaalsContact CB-O 3.27Å; N179-I266 WeakPolarHBondContact CB-O 3.22Å; N179-I266 PolarHBondContact ND2-O 3.36Å; A216-I266 HydrophobicContact CB-CD1 4.38Å; A216-I266 HydrophobicContact CB-CG1 3.63Å; M217-I266 HydrophobicContact CB-CD1 4.38Å; M217-I266 HydrophobicContact CB-CG1 4.27Å; M217-I266 HydrophobicContact CB-CG2 3.95Å; M217-I266 HydrophobicContact CG-CG2 4.24Å; M217-I266 HydrophobicContact SD-CD1 4.19Å; M217-I266 HydrophobicContact SD-CG2 3.98Å
267	V	89.4	Confident	88.4	Confident	30 Å²	30	83.2 Å²	83.2	18%	0.182	43%	0.432	C	S	.	.	S	Bend	trans	-129.6	147.7	171.6	-177.3	0	0	0	0	107.3	Q180 L271 D272	Q180-V267 HydrophobicContact CG-CG2 4.31Å; V267-L271 HydrophobicContact CG1-CB 3.91Å; V267-D272 HydrophobicContact CG1-CB 4.06Å
268	L	89.2	Confident	88.3	Confident	71 Å²	71	82.4 Å²	82.4	37%	0.372	44%	0.435	S	S	.	.			trans	-77.1	140.2	170.6	-62.7	175.4	0	0	0	108.6	P265 E270 L271	P265-L268 HydrophobicContact CG-CD2 3.89Å; L268-E270 PolarHBondContact O-N 3.15Å; L268-E270 VanDerWaalsContact O-N 3.07Å; L268-L271 HydrophobicContact CB-CD1 4.26Å; L268-L271 HydrophobicContact CB-CG 4.44Å; L268-L271 HydrophobicContact CD1-CD1 4.2Å; L268-L271 WeakPolarHBondContact O-CA 3.4Å; L268-L271 PolarHBondContact O-N 3.45Å
269	P	83.7	Confident	88	Confident	120 Å²	120	76 Å²	76	78%	0.779	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-53.1	-36.6	-174.7	-29.3	36	0	0	0	114.8	L271 D272	P269-L271 PolarHBondContact O-N 2.82Å; P269-D272 PolarHBondContact O-N 2.79Å
270	E	82.9	Confident	87.9	Confident	139 Å²	139	76.6 Å²	76.6	65%	0.65	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-68.6	-7	177	-64.2	165.3	-141.1	0	0	114.3	V89 L268	V89-E270 HydrophobicContact CG1-CB 3.5Å; V89-E270 HydrophobicContact CG1-CG 4.38Å; V89-E270 WeakPolarHBondContact CG1-OE2 3.48Å; L268-E270 PolarHBondContact O-N 3.15Å; L268-E270 VanDerWaalsContact O-N 3.07Å
271	L	85.5	Confident	88	Confident	3 Å²	3	77.8 Å²	77.8	2%	0.016	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-118.8	4.2	-177.5	-63	178	0	0	0	113.7	V89 L92 V128 A131 Q180 V267 L268 P269 V273	V89-L271 HydrophobicContact CB-CD2 4.47Å; V89-L271 HydrophobicContact CG1-CD2 3.96Å; V89-L271 HydrophobicContact CG1-CG 4.05Å; L92-L271 HydrophobicContact CD2-CD2 3.65Å; V128-L271 HydrophobicContact CG2-CD1 4.47Å; A131-L271 HydrophobicContact CB-CB 4.13Å; A131-L271 HydrophobicContact CB-CD2 4.02Å; Q180-L271 PolarHBondContact NE2-O 2.92Å; V267-L271 HydrophobicContact CG1-CB 3.91Å; L268-L271 HydrophobicContact CB-CD1 4.26Å; L268-L271 HydrophobicContact CB-CG 4.44Å; L268-L271 HydrophobicContact CD1-CD1 4.2Å; L268-L271 WeakPolarHBondContact O-CA 3.4Å; L268-L271 PolarHBondContact O-N 3.45Å; P269-L271 PolarHBondContact O-N 2.82Å; L271-V273 VanDerWaalsContact C-N 3.31Å; L271-V273 PolarHBondContact O-N 2.84Å
272	D	86.4	Confident	88.1	Confident	99 Å²	99	77.7 Å²	77.7	53%	0.529	41%	0.413	S	S	.	.			trans	-92.6	62.5	176.9	-157.4	5.2	0	0	0	110.1	V267 P269 I274	V267-D272 HydrophobicContact CG1-CB 4.06Å; P269-D272 PolarHBondContact O-N 2.79Å; D272-I274 VanDerWaalsContact C-N 3.32Å; D272-I274 PolarHBondContact O-N 3.2Å
273	V	82.8	Confident	88.2	Confident	72 Å²	72	75.7 Å²	75.7	44%	0.436	41%	0.414	S	S	.	.			trans	-84.4	-1.9	-166.7	-170.6	0	0	0	0	113	L92 V135 L271	L92-V273 HydrophobicContact CD2-CG2 4.02Å; V135-V273 HydrophobicContact CG2-CB 4.4Å; L271-V273 VanDerWaalsContact C-N 3.31Å; L271-V273 PolarHBondContact O-N 2.84Å
274	I	84.7	Confident	88.2	Confident	18 Å²	18	71.3 Å²	71.3	9%	0.092	39%	0.392	C	S	.	.	S	Bend	trans	-130.8	123.6	-166.5	-47	172.7	0	0	0	110.1	A134 V135 D272 D278 Q279	A134-I274 HydrophobicContact CB-CD1 3.52Å; A134-I274 WeakPolarHBondContact O-CD1 3.41Å; V135-I274 HydrophobicContact CB-CD1 4.25Å; V135-I274 HydrophobicContact CG2-CD1 3.73Å; V135-I274 HydrophobicContact CG2-CG1 3.84Å; D272-I274 VanDerWaalsContact C-N 3.32Å; D272-I274 PolarHBondContact O-N 3.2Å; I274-D278 HydrophobicContact CG2-CB 3.79Å; I274-Q279 HydrophobicContact CB-CG 4.37Å; I274-Q279 HydrophobicContact CG2-CG 3.92Å; I274-Q279 PolarHBondContact O-NE2 3.19Å
275	Q	85.5	Confident	88.2	Confident	151 Å²	151	70.1 Å²	70.1	71%	0.706	39%	0.389	S	S	*	.			trans	-59.1	146.9	175.1	-57.2	-170.2	20.2	0	0	111.6	S277 D278	Q275-S277 PolarHBondContact O-N 2.82Å; Q275-D278 PolarHBondContact O-N 3.45Å
276	E	83.8	Confident	88.1	Confident	128 Å²	128	67.2 Å²	67.2	60%	0.598	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.3	-175.7	-62.1	-161.5	134.9	0	0	114	K181	K181-E276 IonicContact NZ-OE1 2.89Å; K181-E276 PolarHBondContact NZ-OE1 3.13Å
277	S	83.9	Confident	87.8	Confident	94 Å²	94	70.5 Å²	70.5	66%	0.657	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-35.8	173.6	48	0	0	0	0	114.3	Q275 Q279	Q275-S277 PolarHBondContact O-N 2.82Å; S277-Q279 VanDerWaalsContact C-N 3.35Å
278	D	89.3	Confident	87.7	Confident	71 Å²	71	72.8 Å²	72.8	38%	0.38	40%	0.398	S	S	.	.	S	Bend	trans	-93.6	-0.4	-167.7	-70.1	37.4	0	0	0	111.8	S138 I274 Q275 I280	S138-D278 WeakPolarHBondContact CB-O 3.36Å; I274-D278 HydrophobicContact CG2-CB 3.79Å; Q275-D278 PolarHBondContact O-N 3.45Å; D278-I280 PolarHBondContact O-N 2.89Å
279	Q	89.2	Confident	87.5	Confident	33 Å²	33	78.9 Å²	78.9	15%	0.154	43%	0.425	C	S	.	.			trans	-86.5	106.8	-172.9	-67.8	170.3	-3.2	0	0	111.1	I274 S277	I274-Q279 HydrophobicContact CB-CG 4.37Å; I274-Q279 HydrophobicContact CG2-CG 3.92Å; I274-Q279 PolarHBondContact O-NE2 3.19Å; S277-Q279 VanDerWaalsContact C-N 3.35Å
280	I	91.9	Very high	87.7	Confident	71 Å²	71	74.7 Å²	74.7	36%	0.364	40%	0.397	S	S	.	.			trans	-95.9	109.5	-176.7	-64.8	168.1	0	0	0	110.4	N137 P141 D278	N137-I280 PolarHBondContact ND2-O 3.41Å; P141-I280 HydrophobicContact CB-CG2 4.18Å; P141-I280 HydrophobicContact CG-CD1 3.55Å; P141-I280 HydrophobicContact CG-CG2 4.3Å; D278-I280 PolarHBondContact O-N 2.89Å
281	T	94	Very high	88.1	Confident	72 Å²	72	72.8 Å²	72.8	44%	0.442	39%	0.391	S	S	.	.			trans	-86.1	127.3	-177.9	40.8	0	0	0	0	112.6	K181	K181-T281 HydrophobicContact CB-CG2 4.16Å; K181-T281 WeakPolarHBondContact O-CG2 3.37Å
282	H	94.9	Very high	88.3	Confident	23 Å²	23	73.5 Å²	73.5	11%	0.106	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-93	135.3	173.1	-65.2	-80	0	0	0	111.9	N137 P141 E145 L148 V182 H184	N137-H282 PolarHBondContact OD1-NE2 2.99Å; P141-H282 PolarHBondContact O-CE1 3.4Å; P141-H282 VanDerWaalsContact O-CE1 3.28Å; P141-H282 PolarHBondContact O-NE2 2.94Å; E145-H282 PolarHBondContact N-NE2 3.43Å; L148-H282 HydrophobicContact CD2-CB 3.65Å; V182-H282 PolarHBondContact O-CD2 2.69Å; V182-H282 VanDerWaalsContact O-CD2 3.3Å; V182-H282 PolarHBondContact O-N 2.7Å; H184-H282 WeakPolarHBondContact CB-O 3.02Å; H184-H282 PolarHBondContact N-O 3.43Å
283	T	92.3	Very high	88.5	Confident	112 Å²	112	70.2 Å²	70.2	69%	0.687	38%	0.378	S	S	*	.			trans	-110.6	14.3	-168.2	50.7	0	0	0	0	115.3	H184	H184-T283 HydrophobicContact CB-CG2 4Å
284	T	89.9	Confident	88.8	Confident	35 Å²	35	71.6 Å²	71.6	22%	0.215	38%	0.379	C	S	.	.			trans	-61.5	134.3	-178.6	-43.8	0	0	0	0	112.7	I152 D288 V290	I152-T284 HydrophobicContact CD1-CG2 3.94Å; T284-D288 HydrophobicContact CG2-CB 4.33Å; T284-V290 HydrophobicContact CG2-CG2 4.05Å
285	S	90.7	Very high	89.2	Confident	23 Å²	23	75.2 Å²	75.2	16%	0.161	40%	0.395	C	S	.	.			trans	-76.9	150.5	175	173.1	0	0	0	0	111.5	E190 L287 D288	E190-S285 WeakPolarHBondContact OE1-CB 3.37Å; E190-S285 PolarHBondContact OE1-OG 2.89Å; E190-S285 WeakPolarHBondContact OE2-CA 3.46Å; E190-S285 PolarHBondContact OE2-OG 3.44Å; E190-S285 VanDerWaalsContact OE2-OG 3.11Å; S285-L287 PolarHBondContact O-N 3.35Å; S285-L287 PolarHBondContact OG-N 3.43Å; S285-D288 WeakPolarHBondContact CB-OD2 3.35Å; S285-D288 PolarHBondContact N-OD2 3.33Å; S285-D288 PolarHBondContact O-N 2.83Å
286	L	88.3	Confident	89.5	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.01	37%	0.37	C	S	.	.	S	Bend	trans	-58.6	-28.8	171.7	-170.3	66	0	0	0	112.3	I152 F155 R156 I187 E190 L191 L194	I152-L286 HydrophobicContact CG2-CD1 4.48Å; F155-L286 HydrophobicContact CD1-CD1 3.96Å; F155-L286 HydrophobicContact CE1-CD1 4.42Å; F155-L286 HydrophobicContact CE1-CD2 4.26Å; R156-L286 WeakPolarHBondContact CD-O 3.41Å; R156-L286 PolarHBondContact NH1-O 2.97Å; I187-L286 HydrophobicContact CG1-CB 4.02Å; I187-L286 HydrophobicContact CG1-CD1 4.38Å; E190-L286 HydrophobicContact CB-CB 4.13Å; E190-L286 HydrophobicContact CB-CD2 4.31Å; E190-L286 VanDerWaalsContact OE2-CB 3.32Å; E190-L286 WeakPolarHBondContact OE2-CB 3.41Å; E190-L286 PolarHBondContact OE2-N 2.97Å; L191-L286 HydrophobicContact CB-CD2 3.95Å; L194-L286 HydrophobicContact CD1-CD2 4.28Å
287	L	85.2	Confident	89.8	Confident	114 Å²	114	65.6 Å²	65.6	60%	0.597	35%	0.353	S	S	*	.	S	Bend	trans	-85.2	-24.9	-174.3	-60.9	-179.9	0	0	0	113.6	R156 S285	R156-L287 VanDerWaalsContact NH1-C 3.32Å; R156-L287 PolarHBondContact NH1-O 3.48Å; R156-L287 PolarHBondContact NH2-O 2.87Å; S285-L287 PolarHBondContact O-N 3.35Å; S285-L287 PolarHBondContact OG-N 3.43Å
288	D	88.4	Confident	90.2	Very high	77 Å²	77	65.7 Å²	65.7	41%	0.412	35%	0.35	S	S	.	.	S	Bend	trans	-53.6	148.3	-173.2	-73.2	-31.3	0	0	0	113.6	R156 T284 S285 V290	R156-D288 PolarHBondContact NH1-O 2.99Å; T284-D288 HydrophobicContact CG2-CB 4.33Å; S285-D288 WeakPolarHBondContact CB-OD2 3.35Å; S285-D288 PolarHBondContact N-OD2 3.33Å; S285-D288 PolarHBondContact O-N 2.83Å; D288-V290 HydrophobicContact CB-CG2 4.15Å; D288-V290 PolarHBondContact O-N 3.31Å
289	Q	84.9	Confident	90.3	Very high	200 Å²	200	64.5 Å²	64.5	94%	0.935	34%	0.341	S	S	*	.			trans	-79.4	111.1	172.7	-66.7	-164.8	31.1	0	0	110
290	V	86.6	Confident	90.3	Very high	31 Å²	31	69.5 Å²	69.5	19%	0.188	36%	0.362	C	S	.	.			trans	-118.8	123.6	-169.9	168.7	0	0	0	0	111.1	K149 T284 D288 P292	K149-V290 HydrophobicContact CB-CG1 3.43Å; K149-V290 VanDerWaalsContact CB-CG1 3.43Å; K149-V290 HydrophobicContact CD-CG1 4.32Å; K149-V290 HydrophobicContact CG-CG1 3.52Å; T284-V290 HydrophobicContact CG2-CG2 4.05Å; D288-V290 HydrophobicContact CB-CG2 4.15Å; D288-V290 PolarHBondContact O-N 3.31Å; V290-P292 WeakPolarHBondContact O-CD 3.34Å
291	D	91.2	Very high	90.3	Very high	99 Å²	99	71 Å²	71	53%	0.529	37%	0.366	S	S	.	.			trans	-74.7	123.4	166.4	-167.7	-22.2	0	0	0	109.6	E293	D291-E293 PolarHBondContact O-N 2.98Å; D291-E293 WeakPolarHBondContact OD1-CA 3.42Å; D291-E293 PolarHBondContact OD1-N 2.9Å
292	P	89.8	Confident	90.1	Very high	18 Å²	18	69.8 Å²	69.8	12%	0.117	36%	0.357	C	S	.	.			trans	-74.8	-1.6	173.8	34.1	-39.4	0	0	0	114.1	R150 N153 V290 E294	R150-P292 HydrophobicContact CG-CB 3.99Å; R150-P292 WeakPolarHBondContact CG-O 3.46Å; R150-P292 PolarHBondContact NE-O 2.92Å; R150-P292 PolarHBondContact NH2-O 3.48Å; N153-P292 WeakPolarHBondContact ND2-CD 3.15Å; N153-P292 WeakPolarHBondContact ND2-CG 3.24Å; V290-P292 WeakPolarHBondContact O-CD 3.34Å; P292-E294 HydrophobicContact CB-CG 3.96Å; P292-E294 HydrophobicContact CG-CG 3.74Å; P292-E294 PolarHBondContact O-N 2.84Å
293	E	91.7	Very high	89.8	Confident	31 Å²	31	74.1 Å²	74.1	15%	0.145	39%	0.387	C	S	.	.			trans	48.8	43.5	-176.6	-60.3	173.3	-126.2	0	0	111.3	R108 L146 K149 R150 D291 H295 L296	R108-E293 IonicContact CZ-OE2 2.62Å; R108-E293 VanDerWaalsContact CZ-OE2 3.25Å; R108-E293 IonicContact NH1-OE1 2.71Å; R108-E293 IonicContact NH1-OE2 2.67Å; R108-E293 PolarHBondContact NH1-OE2 3.4Å; R108-E293 IonicContact NH2-OE2 3.65Å; R108-E293 PolarHBondContact NH2-OE2 3.4Å; L146-E293 HydrophobicContact CD1-CB 3.89Å; L146-E293 HydrophobicContact CD1-CG 4.36Å; K149-E293 IonicContact NZ-OE1 3.25Å; K149-E293 PolarHBondContact NZ-OE1 3.16Å; K149-E293 VanDerWaalsContact NZ-OE1 3.16Å; R150-E293 PolarHBondContact NH2-O 3.13Å; D291-E293 PolarHBondContact O-N 2.98Å; D291-E293 WeakPolarHBondContact OD1-CA 3.42Å; D291-E293 PolarHBondContact OD1-N 2.9Å; E293-H295 PolarHBondContact O-N 3.22Å; E293-H295 VanDerWaalsContact O-N 3.13Å; E293-L296 HydrophobicContact CB-CD1 3.57Å; E293-L296 HydrophobicContact CB-CG 4.02Å; E293-L296 HydrophobicContact CG-CD1 4.47Å; E293-L296 WeakPolarHBondContact O-CB 3.48Å; E293-L296 WeakPolarHBondContact O-CG 3.32Å; E293-L296 PolarHBondContact O-N 2.73Å; E293-L296 VanDerWaalsContact O-N 3.09Å; E293-L296 WeakPolarHBondContact OE2-CD1 3.24Å
294	E	89.9	Confident	89.7	Confident	100 Å²	100	74.1 Å²	74.1	47%	0.467	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-61.4	-23.1	-174	-81	178.7	-147.3	0	0	112.5	K157 P292 L296 N297	K157-E294 IonicContact NZ-OE1 2.68Å; K157-E294 PolarHBondContact NZ-OE1 2.79Å; P292-E294 HydrophobicContact CB-CG 3.96Å; P292-E294 HydrophobicContact CG-CG 3.74Å; P292-E294 PolarHBondContact O-N 2.84Å; E294-L296 PolarHBondContact O-N 3.24Å; E294-N297 WeakPolarHBondContact O-CB 3.23Å; E294-N297 VanDerWaalsContact O-CG 3.3Å; E294-N297 PolarHBondContact O-N 2.97Å; E294-N297 VanDerWaalsContact O-N 3.16Å; E294-N297 PolarHBondContact O-ND2 3.19Å
295	H	91.8	Very high	89.7	Confident	94 Å²	94	73 Å²	73	44%	0.435	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-64.5	-16.5	175.4	65.7	65.3	0	0	0	114.4	E293 N297	E293-H295 PolarHBondContact O-N 3.22Å; E293-H295 VanDerWaalsContact O-N 3.13Å; H295-N297 PolarHBondContact O-N 3.44Å
296	L	91.9	Very high	89.6	Confident	34 Å²	34	76.4 Å²	76.4	18%	0.178	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-73.5	-8.8	175.1	-60.1	173.1	0	0	0	113.1	W73 R108 L146 E293 E294 V298	W73-L296 WeakPolarHBondContact CH2-O 3.47Å; R108-L296 HydrophobicContact CG-CD1 4.14Å; R108-L296 VanDerWaalsContact CZ-CD1 3.46Å; L146-L296 HydrophobicContact CD2-CD1 3.77Å; E293-L296 HydrophobicContact CB-CD1 3.57Å; E293-L296 HydrophobicContact CB-CG 4.02Å; E293-L296 HydrophobicContact CG-CD1 4.47Å; E293-L296 WeakPolarHBondContact O-CB 3.48Å; E293-L296 WeakPolarHBondContact O-CG 3.32Å; E293-L296 PolarHBondContact O-N 2.73Å; E293-L296 VanDerWaalsContact O-N 3.09Å; E293-L296 WeakPolarHBondContact OE2-CD1 3.24Å; E294-L296 PolarHBondContact O-N 3.24Å; L296-V298 VanDerWaalsContact C-N 3.33Å
297	N	90.2	Very high	89.7	Confident	43 Å²	43	78.5 Å²	78.5	23%	0.23	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-85.8	-10.6	179.1	-55.2	-24.7	0	0	0	112.2	G109 R150 E294 H295	G109-N297 VanDerWaalsContact C-OD1 3.27Å; G109-N297 WeakPolarHBondContact CA-OD1 3.44Å; G109-N297 PolarHBondContact O-OD1 3.21Å; R150-N297 VanDerWaalsContact CZ-OD1 3.31Å; R150-N297 PolarHBondContact NH1-OD1 3.34Å; R150-N297 PolarHBondContact NH2-OD1 2.88Å; E294-N297 WeakPolarHBondContact O-CB 3.23Å; E294-N297 VanDerWaalsContact O-CG 3.3Å; E294-N297 PolarHBondContact O-N 2.97Å; E294-N297 VanDerWaalsContact O-N 3.16Å; E294-N297 PolarHBondContact O-ND2 3.19Å; H295-N297 PolarHBondContact O-N 3.44Å
298	V	91.7	Very high	90	Very high	97 Å²	97	75.5 Å²	75.5	59%	0.588	39%	0.389	S	S	*	.	S	Bend	trans	-111.8	135.6	-173.2	-175.3	0	0	0	0	109	L296 K300	L296-V298 VanDerWaalsContact C-N 3.33Å; V298-K300 PolarHBondContact O-N 3.31Å
299	F	92.1	Very high	90.1	Very high	46 Å²	46	74.7 Å²	74.7	20%	0.202	38%	0.383	C	S	.	.			trans	-57.7	135	174.2	176	-94.8	0	0	0	111.1	E66 Q69 R70 W73 F301	E66-F299 HydrophobicContact CG-CE1 3.86Å; E66-F299 HydrophobicContact CG-CZ 4.04Å; Q69-F299 HydrophobicContact CB-CE2 3.76Å; Q69-F299 HydrophobicContact CB-CZ 3.8Å; R70-F299 HydrophobicContact CB-CZ 4.47Å; R70-F299 HydrophobicContact CG-CD1 3.66Å; R70-F299 HydrophobicContact CG-CD2 4.27Å; R70-F299 HydrophobicContact CG-CE1 3.38Å; R70-F299 HydrophobicContact CG-CE2 4.03Å; R70-F299 HydrophobicContact CG-CG 4.1Å; R70-F299 HydrophobicContact CG-CZ 3.59Å; W73-F299 HydrophobicContact CB-CD2 3.74Å; W73-F299 HydrophobicContact CB-CE2 4.35Å; W73-F299 HydrophobicContact CD2-CD2 4.18Å; W73-F299 HydrophobicContact CG-CB 4.22Å; W73-F299 AromaticContact CG-CD2 3.77Å; W73-F299 HydrophobicContact CG-CD2 3.77Å; W73-F299 HydrophobicContact CG-CG 4.48Å; F299-F301 HydrophobicContact CE1-CB 4.47Å
300	K	89.8	Confident	90.4	Very high	137 Å²	137	67.3 Å²	67.3	60%	0.596	36%	0.356	S	S	*	.			trans	-130.9	143.6	164.8	-62.7	-177.3	-177.8	-177.9	0	107.4	V298 D302	V298-K300 PolarHBondContact O-N 3.31Å; K300-D302 PolarHBondContact O-N 2.9Å
301	F	90.5	Very high	90.7	Very high	104 Å²	104	70 Å²	70	46%	0.456	37%	0.366	S	S	.	.			trans	-64.7	129.9	170.3	178.2	-107.3	0	0	0	109.8	S64 E66 F299 P303	S64-F301 WeakPolarHBondContact O-CE2 3.36Å; E66-F301 HydrophobicContact CB-CD2 3.65Å; E66-F301 HydrophobicContact CB-CE2 4.03Å; E66-F301 HydrophobicContact CG-CB 4.2Å; E66-F301 HydrophobicContact CG-CD2 3.77Å; E66-F301 HydrophobicContact CG-CG 4.34Å; F299-F301 HydrophobicContact CE1-CB 4.47Å; F301-P303 HydrophobicContact CE1-CB 4.44Å
302	D	89.9	Confident	90.8	Very high	45 Å²	45	65.9 Å²	65.9	24%	0.241	34%	0.342	C	S	.	.			trans	-105.9	114.8	176.6	-179.6	6.9	0	0	0	109.3	Q69 K300 E304 F305 N308	Q69-D302 PolarHBondContact NE2-O 3.17Å; K300-D302 PolarHBondContact O-N 2.9Å; D302-E304 PolarHBondContact O-N 2.99Å; D302-E304 WeakPolarHBondContact OD1-CA 3.41Å; D302-E304 PolarHBondContact OD1-N 3.45Å; D302-F305 HydrophobicContact CB-CB 4.13Å; D302-F305 WeakPolarHBondContact O-CB 3.46Å; D302-F305 PolarHBondContact O-N 3.03Å; D302-F305 WeakPolarHBondContact OD2-CA 3.41Å; D302-F305 PolarHBondContact OD2-N 2.83Å; D302-N308 PolarHBondContact OD2-ND2 3.18Å
303	P	89.4	Confident	90.8	Very high	114 Å²	114	66.5 Å²	66.5	74%	0.74	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-21.9	175.9	30.4	-35.2	0	0	0	112.8	F301	F301-P303 HydrophobicContact CE1-CB 4.44Å
304	E	89.8	Confident	90.8	Very high	113 Å²	113	70.7 Å²	70.7	53%	0.528	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	12.2	178.6	-70.1	-172.5	-161.2	0	0	112.8	D302 L306 A307 N308 K311	D302-E304 PolarHBondContact O-N 2.99Å; D302-E304 WeakPolarHBondContact OD1-CA 3.41Å; D302-E304 PolarHBondContact OD1-N 3.45Å; E304-L306 VanDerWaalsContact C-N 3.29Å; E304-L306 PolarHBondContact O-N 3.27Å; E304-A307 WeakPolarHBondContact O-CA 3.03Å; E304-A307 WeakPolarHBondContact O-CB 3.33Å; E304-A307 PolarHBondContact O-N 3.07Å; E304-N308 WeakPolarHBondContact CB-ND2 3.26Å; E304-N308 PolarHBondContact O-N 3Å; E304-K311 IonicContact OE2-NZ 3.49Å
305	F	89.7	Confident	90.8	Very high	11 Å²	11	69.6 Å²	69.6	5%	0.048	37%	0.366	C	S	.	.	H	α-helix	trans	-44.3	-48.1	-172.3	179.7	-98.1	0	0	0	113.9	Y68 Q69 A72 R106 D302 A307 N308 E309	Y68-F305 HydrophobicContact CD1-CE1 4.02Å; Y68-F305 HydrophobicContact CD1-CZ 4.33Å; Y68-F305 AromaticContact CE1-CE1 3.93Å; Y68-F305 HydrophobicContact CE1-CE1 3.93Å; Y68-F305 HydrophobicContact CE1-CZ 4.2Å; Q69-F305 HydrophobicContact CB-CD2 4.48Å; Q69-F305 HydrophobicContact CB-CE2 4.42Å; Q69-F305 HydrophobicContact CG-CB 4.36Å; Q69-F305 HydrophobicContact CG-CD1 4.1Å; Q69-F305 HydrophobicContact CG-CD2 3.82Å; Q69-F305 HydrophobicContact CG-CE1 4.35Å; Q69-F305 HydrophobicContact CG-CE2 4.08Å; Q69-F305 HydrophobicContact CG-CG 3.83Å; Q69-F305 HydrophobicContact CG-CZ 4.35Å; A72-F305 HydrophobicContact CB-CZ 4.34Å; R106-F305 VanDerWaalsContact NH1-CE2 3.31Å; D302-F305 HydrophobicContact CB-CB 4.13Å; D302-F305 WeakPolarHBondContact O-CB 3.46Å; D302-F305 PolarHBondContact O-N 3.03Å; D302-F305 WeakPolarHBondContact OD2-CA 3.41Å; D302-F305 PolarHBondContact OD2-N 2.83Å; F305-A307 PolarHBondContact O-N 3.05Å; F305-N308 PolarHBondContact O-N 3.47Å; F305-E309 HydrophobicContact CD1-CG 4.28Å; F305-E309 HydrophobicContact CD2-CG 4.49Å; F305-E309 HydrophobicContact CE1-CG 3.92Å; F305-E309 HydrophobicContact CE2-CG 4.16Å; F305-E309 HydrophobicContact CZ-CG 3.85Å; F305-E309 WeakPolarHBondContact O-CG 3.45Å; F305-E309 PolarHBondContact O-N 3.21Å
306	L	89	Confident	90.6	Very high	95 Å²	95	69.4 Å²	69.4	50%	0.497	36%	0.361	S	S	.	.	H	α-helix	trans	-64.1	-38.6	-179.5	-61.6	177.9	0	0	0	112.9	K63 E304 A310	K63-L306 HydrophobicContact CB-CD2 3.74Å; E304-L306 VanDerWaalsContact C-N 3.29Å; E304-L306 PolarHBondContact O-N 3.27Å; L306-A310 WeakPolarHBondContact O-CB 3.5Å; L306-A310 PolarHBondContact O-N 2.72Å; L306-A310 VanDerWaalsContact O-N 3.09Å
307	A	91.4	Very high	90.5	Very high	45 Å²	45	72.9 Å²	72.9	37%	0.372	38%	0.376	S	S	.	.	H	α-helix	trans	-73.3	-32.3	176	0	0	0	0	0	111.6	E304 F305 A310 K311	E304-A307 WeakPolarHBondContact O-CA 3.03Å; E304-A307 WeakPolarHBondContact O-CB 3.33Å; E304-A307 PolarHBondContact O-N 3.07Å; F305-A307 PolarHBondContact O-N 3.05Å; A307-A310 PolarHBondContact O-N 2.82Å; A307-K311 WeakPolarHBondContact O-CD 3.13Å; A307-K311 WeakPolarHBondContact O-CE 3.48Å; A307-K311 WeakPolarHBondContact O-CG 3.5Å; A307-K311 PolarHBondContact O-N 3.44Å
308	N	91	Very high	90.3	Very high	51 Å²	51	73.6 Å²	73.6	27%	0.273	39%	0.388	S	S	.	.	H	α-helix	trans	-77.7	-28.5	178.7	-67.1	-26.5	0	0	0	113.1	D302 E304 F305 K311 Y312	D302-N308 PolarHBondContact OD2-ND2 3.18Å; E304-N308 WeakPolarHBondContact CB-ND2 3.26Å; E304-N308 PolarHBondContact O-N 3Å; F305-N308 PolarHBondContact O-N 3.47Å; N308-K311 PolarHBondContact OD1-NZ 3.5Å; N308-Y312 PolarHBondContact O-N 3.1Å
309	E	90.3	Very high	89.9	Confident	61 Å²	61	70.6 Å²	70.6	29%	0.285	37%	0.369	S	S	.	.	H	α-helix	trans	-71.9	-40.1	166.6	-65.2	-66.7	91.3	0	0	111.6	N103 R106 F305 Y312 A313	N103-E309 PolarHBondContact ND2-OE1 3.38Å; R106-E309 IonicContact CZ-OE1 2.76Å; R106-E309 IonicContact CZ-OE2 3.95Å; R106-E309 IonicContact NH1-OE1 3.34Å; R106-E309 PolarHBondContact NH1-OE1 3.47Å; R106-E309 IonicContact NH1-OE2 3.43Å; R106-E309 PolarHBondContact NH1-OE2 3.02Å; F305-E309 HydrophobicContact CD1-CG 4.28Å; F305-E309 HydrophobicContact CD2-CG 4.49Å; F305-E309 HydrophobicContact CE1-CG 3.92Å; F305-E309 HydrophobicContact CE2-CG 4.16Å; F305-E309 HydrophobicContact CZ-CG 3.85Å; F305-E309 WeakPolarHBondContact O-CG 3.45Å; F305-E309 PolarHBondContact O-N 3.21Å; E309-Y312 PolarHBondContact O-N 2.96Å; E309-A313 PolarHBondContact O-N 3.02Å
310	A	91.9	Very high	89.2	Confident	44 Å²	44	70.8 Å²	70.8	36%	0.364	37%	0.369	S	S	.	.	H	α-helix	trans	-61.4	-51.5	177	0	0	0	0	0	112.1	L306 A307 Y312 A313 E314	L306-A310 WeakPolarHBondContact O-CB 3.5Å; L306-A310 PolarHBondContact O-N 2.72Å; L306-A310 VanDerWaalsContact O-N 3.09Å; A307-A310 PolarHBondContact O-N 2.82Å; A310-Y312 PolarHBondContact O-N 3.04Å; A310-Y312 VanDerWaalsContact O-N 3.13Å; A310-A313 WeakPolarHBondContact O-CA 3.11Å; A310-A313 WeakPolarHBondContact O-CB 3.32Å; A310-A313 PolarHBondContact O-N 3.45Å; A310-E314 WeakPolarHBondContact O-CG 3.44Å; A310-E314 PolarHBondContact O-N 2.9Å
311	K	92.5	Very high	87.9	Confident	89 Å²	89	69.1 Å²	69.1	39%	0.387	36%	0.364	S	S	.	.	H	α-helix	trans	-53.8	-34	173.7	-67.2	161.7	-157.3	164.8	0	112.9	E304 A307 N308 I315	E304-K311 IonicContact OE2-NZ 3.49Å; A307-K311 WeakPolarHBondContact O-CD 3.13Å; A307-K311 WeakPolarHBondContact O-CE 3.48Å; A307-K311 WeakPolarHBondContact O-CG 3.5Å; A307-K311 PolarHBondContact O-N 3.44Å; N308-K311 PolarHBondContact OD1-NZ 3.5Å; K311-I315 WeakPolarHBondContact O-CD1 3.45Å; K311-I315 VanDerWaalsContact O-CG1 3.24Å; K311-I315 WeakPolarHBondContact O-CG1 3.33Å; K311-I315 PolarHBondContact O-N 3.27Å
312	Y	92.2	Very high	86	Confident	11 Å²	11	68.1 Å²	68.1	4%	0.043	37%	0.37	C	S	.	.	H	α-helix	trans	-78.6	-31.7	176.1	-165.8	-87.4	0	0	0	112.6	L100 E102 N103 V105 F140 N308 E309 A310 I315 R316	L100-Y312 WeakPolarHBondContact O-CE1 3.36Å; L100-Y312 PolarHBondContact O-OH 2.85Å; E102-Y312 WeakPolarHBondContact O-CE1 3.43Å; E102-Y312 PolarHBondContact O-OH 3.38Å; N103-Y312 HydrophobicContact CB-CD1 3.94Å; N103-Y312 HydrophobicContact CB-CD2 4.42Å; N103-Y312 HydrophobicContact CB-CE1 4.33Å; N103-Y312 HydrophobicContact CB-CG 4.01Å; N103-Y312 VanDerWaalsContact OD1-CD2 3.25Å; N103-Y312 WeakPolarHBondContact OD1-CD2 3.42Å; V105-Y312 HydrophobicContact CB-CD2 4.08Å; V105-Y312 HydrophobicContact CB-CE2 4.3Å; V105-Y312 HydrophobicContact CG2-CD2 3.97Å; V105-Y312 HydrophobicContact CG2-CE2 3.91Å; F140-Y312 HydrophobicContact CE1-CE2 4.07Å; F140-Y312 HydrophobicContact CE2-CE2 4.3Å; F140-Y312 AromaticContact CZ-CE2 3.57Å; F140-Y312 HydrophobicContact CZ-CE2 3.57Å; F140-Y312 AromaticContact CZ-CZ 3.98Å; N308-Y312 PolarHBondContact O-N 3.1Å; E309-Y312 PolarHBondContact O-N 2.96Å; A310-Y312 PolarHBondContact O-N 3.04Å; A310-Y312 VanDerWaalsContact O-N 3.13Å; Y312-I315 PolarHBondContact O-N 3.33Å; Y312-R316 HydrophobicContact CD1-CB 4.47Å; Y312-R316 HydrophobicContact CE1-CB 4.26Å; Y312-R316 VanDerWaalsContact O-CB 3.23Å; Y312-R316 WeakPolarHBondContact O-CB 3.4Å; Y312-R316 PolarHBondContact O-N 3.18Å
313	A	90.7	Very high	83.9	Confident	32 Å²	32	72.2 Å²	72.2	26%	0.264	39%	0.392	S	S	.	.	H	α-helix	trans	-62.4	-47.6	171.8	0	0	0	0	0	110.9	E309 A310 I315 R316 E317	E309-A313 PolarHBondContact O-N 3.02Å; A310-A313 WeakPolarHBondContact O-CA 3.11Å; A310-A313 WeakPolarHBondContact O-CB 3.32Å; A310-A313 PolarHBondContact O-N 3.45Å; A313-I315 PolarHBondContact O-N 3.47Å; A313-R316 WeakPolarHBondContact O-CB 3.41Å; A313-R316 PolarHBondContact O-N 3.12Å; A313-R316 VanDerWaalsContact O-N 3.12Å; A313-E317 WeakPolarHBondContact O-CB 3.49Å; A313-E317 PolarHBondContact O-N 3.44Å
314	E	91.5	Very high	81.7	Confident	118 Å²	118	72.9 Å²	72.9	55%	0.551	39%	0.385	S	S	*	.	H	α-helix	trans	-54.8	-47.9	174	-65.6	157.5	-157.5	0	0	111.8	A310 R316 E317 A318	A310-E314 WeakPolarHBondContact O-CG 3.44Å; A310-E314 PolarHBondContact O-N 2.9Å; E314-R316 VanDerWaalsContact C-N 3.35Å; E314-R316 PolarHBondContact O-N 3.25Å; E314-E317 PolarHBondContact O-N 2.67Å; E314-A318 PolarHBondContact O-N 3.44Å
315	I	89.5	Confident	79.2	Confident	78 Å²	78	74.6 Å²	74.6	40%	0.4	40%	0.398	S	S	.	.	H	α-helix	trans	-65.4	-37.9	177.3	-68.4	163.1	0	0	0	111.6	F140 K311 Y312 A313 L319	F140-I315 HydrophobicContact CE1-CG2 3.9Å; F140-I315 HydrophobicContact CZ-CG2 3.94Å; K311-I315 WeakPolarHBondContact O-CD1 3.45Å; K311-I315 VanDerWaalsContact O-CG1 3.24Å; K311-I315 WeakPolarHBondContact O-CG1 3.33Å; K311-I315 PolarHBondContact O-N 3.27Å; Y312-I315 PolarHBondContact O-N 3.33Å; A313-I315 PolarHBondContact O-N 3.47Å; I315-L319 HydrophobicContact CG2-CD1 3.95Å; I315-L319 HydrophobicContact CG2-CG 4.44Å; I315-L319 WeakPolarHBondContact O-CB 3.43Å; I315-L319 WeakPolarHBondContact O-CD1 3.46Å; I315-L319 WeakPolarHBondContact O-CG 3.18Å; I315-L319 PolarHBondContact O-N 3.44Å
316	R	88.8	Confident	76.7	Confident	90 Å²	90	79 Å²	79	34%	0.34	43%	0.43	S	S	.	.	H	α-helix	trans	-68.1	-39.4	179.5	-178.8	-164.7	64.8	-164.4	-1.6	111.6	Y312 A313 E314 L319 F320	Y312-R316 HydrophobicContact CD1-CB 4.47Å; Y312-R316 HydrophobicContact CE1-CB 4.26Å; Y312-R316 VanDerWaalsContact O-CB 3.23Å; Y312-R316 WeakPolarHBondContact O-CB 3.4Å; Y312-R316 PolarHBondContact O-N 3.18Å; A313-R316 WeakPolarHBondContact O-CB 3.41Å; A313-R316 PolarHBondContact O-N 3.12Å; A313-R316 VanDerWaalsContact O-N 3.12Å; E314-R316 VanDerWaalsContact C-N 3.35Å; E314-R316 PolarHBondContact O-N 3.25Å; R316-L319 PolarHBondContact O-N 3.06Å; R316-F320 HydrophobicContact CG-CD2 4.1Å; R316-F320 HydrophobicContact CG-CE2 3.89Å; R316-F320 WeakPolarHBondContact O-CD2 3.4Å; R316-F320 PolarHBondContact O-N 3.17Å
317	E	88	Confident	74.2	Confident	107 Å²	107	83.5 Å²	83.5	50%	0.5	45%	0.448	S	S	.	.	H	α-helix	trans	-58.1	-58.8	176.9	-158.6	146.6	-116.3	0	0	109.8	A313 E314 L319 F320 E321	A313-E317 WeakPolarHBondContact O-CB 3.49Å; A313-E317 PolarHBondContact O-N 3.44Å; E314-E317 PolarHBondContact O-N 2.67Å; E317-L319 PolarHBondContact O-N 3.02Å; E317-F320 PolarHBondContact O-N 3.07Å; E317-E321 HydrophobicContact CG-CG 4.4Å; E317-E321 WeakPolarHBondContact CG-OE1 3.18Å; E317-E321 WeakPolarHBondContact O-CG 3.42Å; E317-E321 PolarHBondContact O-N 3.5Å
318	A	87.5	Confident	71.4	Confident	58 Å²	58	85.8 Å²	85.8	48%	0.479	47%	0.467	S	S	.	.	H	α-helix	trans	-60.1	-21.9	176.9	0	0	0	0	0	115	E314 S322	E314-A318 PolarHBondContact O-N 3.44Å; A318-S322 PolarHBondContact O-OG 3.04Å
319	L	81.6	Confident	68.8	Low	33 Å²	33	92.6 Å²	92.6	17%	0.173	50%	0.497	C	S	.	.	H	α-helix	trans	-77.8	-16.2	175.4	-81.2	172.5	0	0	0	114.1	K139 F140 I315 R316 E317	K139-L319 HydrophobicContact CB-CD2 4.1Å; K139-L319 HydrophobicContact CD-CD2 3.56Å; K139-L319 HydrophobicContact CG-CD2 3.76Å; F140-L319 HydrophobicContact CE2-CD1 4.28Å; F140-L319 HydrophobicContact CZ-CD1 4.02Å; I315-L319 HydrophobicContact CG2-CD1 3.95Å; I315-L319 HydrophobicContact CG2-CG 4.44Å; I315-L319 WeakPolarHBondContact O-CB 3.43Å; I315-L319 WeakPolarHBondContact O-CD1 3.46Å; I315-L319 WeakPolarHBondContact O-CG 3.18Å; I315-L319 PolarHBondContact O-N 3.44Å; R316-L319 PolarHBondContact O-N 3.06Å; E317-L319 PolarHBondContact O-N 3.02Å
320	F	78.2	Confident	66.1	Low	50 Å²	50	94.4 Å²	94.4	22%	0.219	52%	0.517	C	S	.	.	H	α-helix	trans	-113.9	-41.6	-179.7	-70.2	-64.3	0	0	0	113.1	K97 L100 M101 R316 E317 S322 N323	K97-F320 HydrophobicContact CB-CE1 4.27Å; K97-F320 HydrophobicContact CD-CE1 4.48Å; K97-F320 HydrophobicContact CG-CE1 4.11Å; L100-F320 HydrophobicContact CB-CZ 4.09Å; M101-F320 HydrophobicContact CG-CE2 4.1Å; M101-F320 HydrophobicContact CG-CZ 4.24Å; R316-F320 HydrophobicContact CG-CD2 4.1Å; R316-F320 HydrophobicContact CG-CE2 3.89Å; R316-F320 WeakPolarHBondContact O-CD2 3.4Å; R316-F320 PolarHBondContact O-N 3.17Å; E317-F320 PolarHBondContact O-N 3.07Å; F320-S322 PolarHBondContact O-N 3.12Å; F320-S322 VanDerWaalsContact O-N 3.12Å; F320-N323 PolarHBondContact O-N 2.94Å
321	E	61.7	Low	63.4	Low	102 Å²	102	100.7 Å²	100.7	48%	0.477	54%	0.544	S	S	.	.	H	α-helix	trans	-51.3	-40.3	-178.9	-69.7	170.8	138.8	0	0	112.4	E317 N323 E324	E317-E321 HydrophobicContact CG-CG 4.4Å; E317-E321 WeakPolarHBondContact CG-OE1 3.18Å; E317-E321 WeakPolarHBondContact O-CG 3.42Å; E317-E321 PolarHBondContact O-N 3.5Å; E321-N323 PolarHBondContact O-N 2.69Å; E321-E324 PolarHBondContact O-N 3.49Å
322	S	51.4	Low	60.9	Low	83 Å²	83	99.7 Å²	99.7	58%	0.58	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	10.3	177.7	51.8	0	0	0	0	116.5	A318 F320	A318-S322 PolarHBondContact O-OG 3.04Å; F320-S322 PolarHBondContact O-N 3.12Å; F320-S322 VanDerWaalsContact O-N 3.12Å
323	N	46.2	Very low	58.1	Low	131 Å²	131	108.6 Å²	108.6	70%	0.701	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137	6.6	172.1	-62.5	-99.9	0	0	0	113.9	F320 E321	F320-N323 PolarHBondContact O-N 2.94Å; E321-N323 PolarHBondContact O-N 2.69Å
324	E	43.2	Very low	55.5	Low	129 Å²	129	114.7 Å²	114.7	60%	0.603	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.4	-8.1	-175.6	-64.4	-175.9	176.5	0	0	113.5	E321 S326	E321-E324 PolarHBondContact O-N 3.49Å; E324-S326 PolarHBondContact O-N 3.09Å
325	D	37.1	Very low	52.8	Low	149 Å²	149	118 Å²	118	80%	0.797	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	34.8	177.9	-65.2	-31.6	0	0	0	115.3
326	S	38	Very low	50.4	Low	103 Å²	103	117.7 Å²	117.7	72%	0.72	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.3	-5.6	-179.6	65.2	0	0	0	0	116.8	E324	E324-S326 PolarHBondContact O-N 3.09Å
327	E	34.9	Very low	48	Very low	189 Å²	189	122.8 Å²	122.8	88%	0.883	69%	0.689	S	S	*	*	S	Bend	trans	-138.5	59.6	178.3	-70.7	-169.8	-149.4	0	0	112.4
328	A	33.8	Very low	45.5	Very low	93 Å²	93	125.1 Å²	125.1	77%	0.769	71%	0.705	S	S	*	*			trans	-148.2	22.4	-177.6	0	0	0	0	0	117.3
329	E	36.6	Very low	43.3	Very low	194 Å²	194	128.2 Å²	128.2	91%	0.907	72%	0.723	S	S	*	*			trans	-128.2	138.1	166.2	-75.4	-161.6	-142.2	0	0	110
330	S	33.3	Very low	41	Very low	100 Å²	100	133.9 Å²	133.9	70%	0.699	75%	0.754	S	S	*	*			cis	-153.6	134.2	-5.4	176.8	0	0	0	0	109.2
331	D	33.9	Very low	39	Very low	175 Å²	175	140.8 Å²	140.8	94%	0.936	79%	0.786	S	S	*	*			trans	-135.2	62.3	174.1	-120.2	-16.8	0	0	0	109.2	E333	D331-E333 PolarHBondContact O-N 2.84Å
332	G	40.3	Very low	37.9	Very low	69 Å²	69	141.5 Å²	141.5	71%	0.711	80%	0.803	S	S	*	*			trans	-89.4	95.5	178.3	0	0	0	0	0	112.1	N334	G332-N334 PolarHBondContact O-N 3.31Å
333	E	34.8	Very low	37.2	Very low	198 Å²	198	140.5 Å²	140.5	93%	0.925	81%	0.806	S	S	*	*			trans	-56.8	120	173.7	-62.7	-179.8	153.2	0	0	111.7	D331	D331-E333 PolarHBondContact O-N 2.84Å
334	N	35.5	Very low	36.9	Very low	159 Å²	159	140.9 Å²	140.9	85%	0.85	81%	0.808	S	S	*	*			trans	-153.2	147.3	155.7	-161.2	25.7	0	0	0	111.9	G332	G332-N334 PolarHBondContact O-N 3.31Å
335	E	35.4	Very low	36.5	Very low	188 Å²	188	142.3 Å²	142.3	88%	0.879	81%	0.814	S	S	*	*			trans	-89.2	151.5	-177.8	-55.3	-179.9	155.7	0	0	111.4
336	G	38.9	Very low	36.6	Very low	72 Å²	72	141.6 Å²	141.6	74%	0.742	81%	0.81	S	S	*	*			trans	163.7	79.2	172.4	0	0	0	0	0	117.7
337	E	37.5	Very low	36.7	Very low	196 Å²	196	143.1 Å²	143.1	92%	0.916	81%	0.81	S	S	*	*			trans	35.1	124.4	144.2	-58.9	-176.6	147.6	0	0	122.2
338	D	35.2	Very low	36.9	Very low	156 Å²	156	140.2 Å²	140.2	83%	0.834	80%	0.801	S	S	*	*			trans	-26.7	141.1	163.4	-49.7	-44.1	0	0	0	118.6
339	S	41.4	Very low	37	Very low	123 Å²	123	142.8 Å²	142.8	86%	0.86	80%	0.802	S	S	*	*				-170.5	141.5	120.5	20.3	0	0	0	0	113.4
340	D	34.3	Very low	37	Very low	153 Å²	153	141 Å²	141	82%	0.818	80%	0.798	S	S	*	*			trans	-77.1	152.5	171.1	-46.5	-96.3	0	0	0	112.1
341	E	36.1	Very low	37.2	Very low	194 Å²	194	145.5 Å²	145.5	91%	0.907	81%	0.808	S	S	*	*				-175	164.2	104.6	-101.6	-168.6	161.5	0	0	113.8
342	S	38.1	Very low	37.2	Very low	118 Å²	118	144.3 Å²	144.3	83%	0.825	80%	0.798	S	S	*	*			trans	-86.7	164.1	-173.2	56.4	0	0	0	0	115.4
343	G	36.2	Very low	37.2	Very low	62 Å²	62	148.3 Å²	148.3	64%	0.639	80%	0.802	S	S	*	*			trans	151.6	125.9	133.4	0	0	0	0	0	118.3
344	N	40.3	Very low	37.6	Very low	138 Å²	138	145.2 Å²	145.2	74%	0.738	79%	0.788	S	S	*	*			trans	68.6	140.2	157	-64	38.7	0	0	0	116.9
345	E	34.4	Very low	37.6	Very low	159 Å²	159	142.6 Å²	142.6	74%	0.743	77%	0.771	S	S	*	*			cis	68.6	119.4	44.7	-57.8	176.3	171.5	0	0	109.9
346	D	39	Very low	37.7	Very low	134 Å²	134	141 Å²	141	72%	0.717	76%	0.763	S	S	*	*			cis	-156.9	171.5	34.9	-92.6	-42.8	0	0	0	114
347	D	41.3	Very low	37.9	Very low	135 Å²	135	144.4 Å²	144.4	72%	0.722	76%	0.757	S	S	*	*			trans	82.2	137.1	136.6	-89.9	-2.2	0	0	0	125.2
348	N	39.9	Very low	37.9	Very low	129 Å²	129	144.3 Å²	144.3	69%	0.69	75%	0.748	S	S	*	*			trans	82	83.1	153.8	-58.5	-48.7	0	0	0	121.4
349	D	35.6	Very low	37.9	Very low	147 Å²	147	139.8 Å²	139.8	79%	0.786	73%	0.729	S	S	*	*				48.1	143.3	110.1	-63.9	-11.6	0	0	0	123.9
350	D	36.9	Very low	37.9	Very low	155 Å²	155	137.3 Å²	137.3	83%	0.829	72%	0.716	S	S	*	*			trans	64.9	108	157.5	-66.4	-22.8	0	0	0	121.2
351	E	37.4	Very low	38.3	Very low	195 Å²	195	133.6 Å²	133.6	91%	0.911	71%	0.706	S	S	*	*				176.7	-0.4	122.8	-98.6	-170.8	-172	0	0	117.4	D353	E351-D353 PolarHBondContact O-N 3.42Å
352	E	32.9	Very low	38.4	Very low	151 Å²	151	128 Å²	128	71%	0.706	69%	0.694	S	S	*	*			trans	-102.1	66	-164.4	-61.5	-164.8	149.5	0	0	118.9	E354 E355	E352-E354 VanDerWaalsContact C-N 3.3Å; E352-E354 PolarHBondContact O-N 2.97Å; E352-E355 HydrophobicContact CB-CG 4.45Å
353	D	41	Very low	38.5	Very low	152 Å²	152	127.4 Å²	127.4	81%	0.813	69%	0.685	S	S	*	*	S	Bend	trans	-79.6	4.7	179.3	-133.4	-8.3	0	0	0	115.3	E351	E351-D353 PolarHBondContact O-N 3.42Å
354	E	41.8	Very low	38.8	Very low	134 Å²	134	127.3 Å²	127.3	63%	0.626	68%	0.678	S	S	*	*	S	Bend	trans	-123.1	-10.5	-178.3	-78.9	-70.6	-173.2	0	0	115.9	E352 H356 K357	E352-E354 VanDerWaalsContact C-N 3.3Å; E352-E354 PolarHBondContact O-N 2.97Å; E354-H356 VanDerWaalsContact C-N 3.35Å; E354-H356 PolarHBondContact O-N 3.42Å; E354-K357 IonicContact OE1-NZ 3.5Å; E354-K357 IonicContact OE2-NZ 3.09Å; E354-K357 PolarHBondContact OE2-NZ 2.9Å
355	E	35.3	Very low	39	Very low	103 Å²	103	129.7 Å²	129.7	48%	0.481	69%	0.685	S	S	.	*	G	3₁₀ helix	trans	-67	-34.5	175.9	-85.6	-74.7	112.4	0	0	112.3	E352 K357 R358 S359	E352-E355 HydrophobicContact CB-CG 4.45Å; E355-K357 PolarHBondContact O-N 3.11Å; E355-R358 PolarHBondContact O-N 3.06Å; E355-S359 PolarHBondContact O-N 3.08Å; E355-S359 PolarHBondContact O-OG 3.04Å
356	H	39.2	Very low	39.2	Very low	155 Å²	155	128.4 Å²	128.4	72%	0.718	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-63.3	-5	-174.6	-83.9	-56.4	0	0	0	116.3	E354	E354-H356 VanDerWaalsContact C-N 3.35Å; E354-H356 PolarHBondContact O-N 3.42Å
357	K	42.4	Very low	39.4	Very low	143 Å²	143	129.5 Å²	129.5	62%	0.622	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-98.2	-12	170.6	-64.7	-170.1	-156.5	86.7	0	114.4	E354 E355	E354-K357 IonicContact OE1-NZ 3.5Å; E354-K357 IonicContact OE2-NZ 3.09Å; E354-K357 PolarHBondContact OE2-NZ 2.9Å; E355-K357 PolarHBondContact O-N 3.11Å
358	R	37.2	Very low	40.2	Very low	194 Å²	194	131 Å²	131	73%	0.732	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-41.6	-179.7	-67.6	-175.9	172.4	-156	-2.5	112	E355 A360 A361	E355-R358 PolarHBondContact O-N 3.06Å; R358-A360 PolarHBondContact O-N 2.89Å; R358-A361 PolarHBondContact O-N 2.96Å; R358-A361 VanDerWaalsContact O-N 3.1Å
359	S	35.9	Very low	41.5	Very low	62 Å²	62	130.9 Å²	130.9	43%	0.434	69%	0.691	S	S	.	*	H	α-helix	trans	-57.7	-31.9	173.5	45.5	0	0	0	0	113.6	E355 A361 T363	E355-S359 PolarHBondContact O-N 3.08Å; E355-S359 PolarHBondContact O-OG 3.04Å; S359-A361 VanDerWaalsContact C-N 3.28Å; S359-A361 PolarHBondContact O-N 3.4Å; S359-T363 PolarHBondContact O-OG1 2.99Å
360	A	41.4	Very low	43.6	Very low	71 Å²	71	131.7 Å²	131.7	59%	0.587	69%	0.693	S	S	*	*	H	α-helix	trans	-72.3	-11.9	177.5	0	0	0	0	0	115.2	R358	R358-A360 PolarHBondContact O-N 2.89Å
361	A	41.7	Very low	45.8	Very low	74 Å²	74	130.9 Å²	130.9	61%	0.612	69%	0.688	S	S	*	*	H	α-helix	trans	-94.2	-35.6	175.1	0	0	0	0	0	112.1	R358 S359 T363	R358-A361 PolarHBondContact O-N 2.96Å; R358-A361 VanDerWaalsContact O-N 3.1Å; S359-A361 VanDerWaalsContact C-N 3.28Å; S359-A361 PolarHBondContact O-N 3.4Å; A361-T363 VanDerWaalsContact C-N 3.3Å; A361-T363 PolarHBondContact O-N 3.45Å
362	A	39.1	Very low	47.9	Very low	78 Å²	78	125.3 Å²	125.3	65%	0.645	66%	0.664	S	S	*	*	H	α-helix	trans	-75.8	-12.5	-178.3	0	0	0	0	0	114.3	A364	A362-A364 VanDerWaalsContact C-N 3.34Å
363	T	39	Very low	50.5	Low	105 Å²	105	126.5 Å²	126.5	64%	0.644	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-3.7	179.8	15.8	0	0	0	0	114.3	S359 A361	S359-T363 PolarHBondContact O-OG1 2.99Å; A361-T363 VanDerWaalsContact C-N 3.3Å; A361-T363 PolarHBondContact O-N 3.45Å
364	A	44	Very low	52.5	Low	59 Å²	59	123.5 Å²	123.5	49%	0.488	66%	0.657	S	S	.	*	S	Bend	trans	-80.1	-27	-173.5	0	0	0	0	0	114.7	A362 Q367	A362-A364 VanDerWaalsContact C-N 3.34Å; A364-Q367 PolarHBondContact O-NE2 3.29Å
365	E	43	Very low	54.6	Low	189 Å²	189	122.8 Å²	122.8	88%	0.883	65%	0.653	S	S	*	*	S	Bend	trans	-95.8	-11.7	-167.7	-64.2	-179.6	151.5	0	0	113.7
366	N	40	Very low	57.2	Low	131 Å²	131	121.6 Å²	121.6	70%	0.701	65%	0.654	S	S	*	*			trans	-112	59.9	176	-157.2	-15.9	0	0	0	111.4	Q368	N366-Q368 PolarHBondContact O-N 2.83Å
367	Q	42.2	Very low	59.5	Low	158 Å²	158	120 Å²	120	74%	0.738	65%	0.65	S	S	*	*			trans	-72.2	87.2	177.4	-70.5	-175.9	31	0	0	111.2	A364 T369	A364-Q367 PolarHBondContact O-NE2 3.29Å; Q367-T369 PolarHBondContact O-N 2.78Å
368	Q	58.1	Low	61.7	Low	167 Å²	167	115.4 Å²	115.4	78%	0.78	63%	0.632	S	S	*	*			trans	-53.6	112.8	163	-68.4	-174.5	-7.7	0	0	109.1	N366 I370	N366-Q368 PolarHBondContact O-N 2.83Å; Q368-I370 PolarHBondContact O-N 3.48Å
369	T	67.5	Low	64.2	Low	125 Å²	125	110.3 Å²	110.3	77%	0.767	62%	0.623	S	S	*	*			trans	-73	97.8	-174.1	44	0	0	0	0	110.3	Q367 I371	Q367-T369 PolarHBondContact O-N 2.78Å; T369-I371 WeakPolarHBondContact O-CG1 3.45Å; T369-I371 PolarHBondContact O-N 2.94Å
370	I	80.6	Confident	66.9	Low	164 Å²	164	113.5 Å²	113.5	84%	0.841	63%	0.63	S	S	*	*			trans	-64.9	105.1	-177.9	-55.6	178.9	0	0	0	109.8	Q368 D372	Q368-I370 PolarHBondContact O-N 3.48Å; I370-D372 PolarHBondContact O-N 2.62Å; I370-D372 VanDerWaalsContact O-N 3.1Å
371	I	81.9	Confident	69.2	Low	139 Å²	139	111.3 Å²	111.3	71%	0.713	61%	0.608	S	S	*	*			trans	-75.8	96.6	177.1	-54.6	179.5	0	0	0	109.1	T369 Q373	T369-I371 WeakPolarHBondContact O-CG1 3.45Å; T369-I371 PolarHBondContact O-N 2.94Å; I371-Q373 PolarHBondContact O-N 3.06Å; I371-Q373 VanDerWaalsContact O-N 3.1Å
372	D	82.3	Confident	71.6	Confident	77 Å²	77	112 Å²	112	41%	0.412	60%	0.595	S	S	.	*			trans	-67.3	104.3	176.9	179.9	20.8	0	0	0	111.9	I370 T374	I370-D372 PolarHBondContact O-N 2.62Å; I370-D372 VanDerWaalsContact O-N 3.1Å; D372-T374 WeakPolarHBondContact OD1-CA 3.26Å; D372-T374 VanDerWaalsContact OD1-CB 3.26Å; D372-T374 WeakPolarHBondContact OD1-CB 3.31Å; D372-T374 WeakPolarHBondContact OD1-CG2 3.41Å; D372-T374 PolarHBondContact OD1-N 3.35Å; D372-T374 PolarHBondContact OD1-OG1 2.86Å
373	Q	86.1	Confident	74.2	Confident	177 Å²	177	116.7 Å²	116.7	83%	0.827	60%	0.596	S	S	*	*			trans	-89.2	2.2	172.9	-61	-173.6	5.5	0	0	113.5	I371	I371-Q373 PolarHBondContact O-N 3.06Å; I371-Q373 VanDerWaalsContact O-N 3.1Å
374	T	83.7	Confident	76.8	Confident	89 Å²	89	113.8 Å²	113.8	55%	0.546	58%	0.578	S	S	.	*	S	Bend	trans	-90.5	-11.1	-169.2	71.9	0	0	0	0	114.7	D372 T376	D372-T374 WeakPolarHBondContact OD1-CA 3.26Å; D372-T374 VanDerWaalsContact OD1-CB 3.26Å; D372-T374 WeakPolarHBondContact OD1-CB 3.31Å; D372-T374 WeakPolarHBondContact OD1-CG2 3.41Å; D372-T374 PolarHBondContact OD1-N 3.35Å; D372-T374 PolarHBondContact OD1-OG1 2.86Å; T374-T376 PolarHBondContact O-N 3.33Å; T374-T376 WeakPolarHBondContact OG1-CG2 3.35Å; T374-T376 PolarHBondContact OG1-OG1 3.17Å
375	E	86.7	Confident	79.1	Confident	118 Å²	118	111 Å²	111	55%	0.551	56%	0.555	S	S	*	*			trans	50.6	18.8	-173.9	-63	-170.2	176.9	0	0	114.7	N377 L378 V379	E375-N377 VanDerWaalsContact C-N 3.25Å; E375-N377 PolarHBondContact O-N 3.25Å; E375-N377 VanDerWaalsContact O-N 3.12Å; E375-L378 HydrophobicContact CB-CB 4.46Å; E375-L378 WeakPolarHBondContact O-CA 3.36Å; E375-L378 WeakPolarHBondContact O-CB 3.49Å; E375-L378 PolarHBondContact O-N 2.7Å; E375-V379 PolarHBondContact O-N 3.03Å
376	T	89.9	Confident	81.5	Confident	79 Å²	79	107.3 Å²	107.3	49%	0.485	53%	0.534	S	S	.	.	H	α-helix	trans	-56.4	-37.8	-170	44.5	0	0	0	0	113.4	T374 V379 H380	T374-T376 PolarHBondContact O-N 3.33Å; T374-T376 WeakPolarHBondContact OG1-CG2 3.35Å; T374-T376 PolarHBondContact OG1-OG1 3.17Å; T376-V379 PolarHBondContact O-N 3.32Å; T376-H380 WeakPolarHBondContact O-CB 3.48Å; T376-H380 PolarHBondContact O-N 3.41Å
377	N	87	Confident	84	Confident	122 Å²	122	105.7 Å²	105.7	65%	0.652	53%	0.525	S	S	*	.	H	α-helix	trans	-60.5	-43.3	174.4	-72.1	-70.7	0	0	0	112.8	E375 H380 L381	E375-N377 VanDerWaalsContact C-N 3.25Å; E375-N377 PolarHBondContact O-N 3.25Å; E375-N377 VanDerWaalsContact O-N 3.12Å; N377-H380 PolarHBondContact O-N 3.38Å; N377-L381 WeakPolarHBondContact O-CB 3.47Å; N377-L381 PolarHBondContact O-N 2.99Å
378	L	88.1	Confident	86.3	Confident	46 Å²	46	99.5 Å²	99.5	24%	0.241	50%	0.496	C	S	.	.	H	α-helix	trans	-70.7	-41.4	178.8	-179.7	155	0	0	0	110.9	E375 H380 L381 R382 E414	E375-L378 HydrophobicContact CB-CB 4.46Å; E375-L378 WeakPolarHBondContact O-CA 3.36Å; E375-L378 WeakPolarHBondContact O-CB 3.49Å; E375-L378 PolarHBondContact O-N 2.7Å; L378-H380 VanDerWaalsContact C-N 3.33Å; L378-H380 PolarHBondContact O-N 3.31Å; L378-L381 PolarHBondContact O-N 3Å; L378-R382 HydrophobicContact CD2-CG 4.24Å; L378-R382 WeakPolarHBondContact O-CB 3.33Å; L378-R382 WeakPolarHBondContact O-CG 3.4Å; L378-R382 PolarHBondContact O-N 3.18Å; L378-E414 HydrophobicContact CD1-CG 4.4Å
379	V	90.6	Very high	87.9	Confident	87 Å²	87	91.6 Å²	91.6	53%	0.527	46%	0.459	S	S	.	.	H	α-helix	trans	-61.8	-41.2	173.8	177.3	0	0	0	0	111.2	E375 T376 R383	E375-V379 PolarHBondContact O-N 3.03Å; T376-V379 PolarHBondContact O-N 3.32Å; V379-R383 WeakPolarHBondContact O-CB 3.48Å; V379-R383 PolarHBondContact O-N 3.26Å
380	H	91.8	Very high	89	Confident	129 Å²	129	91.6 Å²	91.6	60%	0.597	45%	0.451	S	S	*	.	H	α-helix	trans	-64.8	-44	175.3	-176.8	-93	0	0	0	112.2	T376 N377 L378 R383 T384	T376-H380 WeakPolarHBondContact O-CB 3.48Å; T376-H380 PolarHBondContact O-N 3.41Å; N377-H380 PolarHBondContact O-N 3.38Å; L378-H380 VanDerWaalsContact C-N 3.33Å; L378-H380 PolarHBondContact O-N 3.31Å; H380-R383 PolarHBondContact O-N 3.25Å; H380-T384 PolarHBondContact O-N 3.26Å; H380-T384 PolarHBondContact O-OG1 3.35Å
381	L	90.7	Very high	89.5	Confident	24 Å²	24	87 Å²	87	13%	0.126	43%	0.433	C	S	.	.	H	α-helix	trans	-59.3	-51.6	175.3	177.4	62.7	0	0	0	111.4	N377 L378 R383 T384 I385 E411	N377-L381 WeakPolarHBondContact O-CB 3.47Å; N377-L381 PolarHBondContact O-N 2.99Å; L378-L381 PolarHBondContact O-N 3Å; L381-R383 VanDerWaalsContact C-N 3.3Å; L381-R383 PolarHBondContact O-N 3.17Å; L381-T384 WeakPolarHBondContact O-CB 3.42Å; L381-T384 PolarHBondContact O-N 3.29Å; L381-T384 VanDerWaalsContact O-N 3.11Å; L381-I385 HydrophobicContact CD1-CD1 3.97Å; L381-I385 HydrophobicContact CD1-CG1 4.35Å; L381-I385 HydrophobicContact CG-CD1 3.82Å; L381-I385 WeakPolarHBondContact O-CG1 3.25Å; L381-I385 PolarHBondContact O-N 2.97Å; L381-E411 HydrophobicContact CD2-CB 4.01Å; L381-E411 HydrophobicContact CD2-CG 3.74Å
382	R	92.5	Very high	89.9	Confident	89 Å²	89	80.7 Å²	80.7	34%	0.336	40%	0.401	S	S	.	.	H	α-helix	trans	-54.9	-43.5	175.5	-75	-172	173.5	157.6	5.5	111.9	L378 I385 Y386 E414 M418	L378-R382 HydrophobicContact CD2-CG 4.24Å; L378-R382 WeakPolarHBondContact O-CB 3.33Å; L378-R382 WeakPolarHBondContact O-CG 3.4Å; L378-R382 PolarHBondContact O-N 3.18Å; R382-I385 PolarHBondContact O-N 3.32Å; R382-Y386 WeakPolarHBondContact O-CB 3.37Å; R382-Y386 PolarHBondContact O-N 2.86Å; R382-E414 IonicContact CZ-OE1 3.13Å; R382-E414 IonicContact CZ-OE2 2.67Å; R382-E414 IonicContact NE-OE2 2.68Å; R382-E414 PolarHBondContact NE-OE2 3.27Å; R382-E414 IonicContact NH2-OE1 2.79Å; R382-E414 PolarHBondContact NH2-OE1 2.86Å; R382-E414 IonicContact NH2-OE2 3.45Å; R382-E414 PolarHBondContact NH2-OE2 3.02Å; R382-M418 HydrophobicContact CB-CE 4.49Å; R382-M418 HydrophobicContact CB-CG 4.08Å; R382-M418 HydrophobicContact CB-SD 3.75Å; R382-M418 HydrophobicContact CG-CG 3.77Å; R382-M418 HydrophobicContact CG-SD 3.72Å
383	R	93.1	Very high	90.3	Very high	177 Å²	177	84.6 Å²	84.6	67%	0.668	42%	0.421	S	S	*	.	H	α-helix	trans	-64.7	-40.7	176.9	-173.9	177.3	-178.7	176.7	-0	112.5	V379 H380 L381 L387	V379-R383 WeakPolarHBondContact O-CB 3.48Å; V379-R383 PolarHBondContact O-N 3.26Å; H380-R383 PolarHBondContact O-N 3.25Å; L381-R383 VanDerWaalsContact C-N 3.3Å; L381-R383 PolarHBondContact O-N 3.17Å; R383-L387 HydrophobicContact CG-CD1 4.19Å; R383-L387 VanDerWaalsContact O-CG 3.32Å; R383-L387 WeakPolarHBondContact O-CG 3.27Å; R383-L387 PolarHBondContact O-N 3.4Å; R383-L387 VanDerWaalsContact O-N 3.08Å
384	T	92.5	Very high	90.5	Very high	43 Å²	43	78.5 Å²	78.5	26%	0.264	40%	0.398	S	S	.	.	H	α-helix	trans	-63.4	-46.3	175.9	-52.5	0	0	0	0	110.7	H380 L381 L387 M388 L405	H380-T384 PolarHBondContact O-N 3.26Å; H380-T384 PolarHBondContact O-OG1 3.35Å; L381-T384 WeakPolarHBondContact O-CB 3.42Å; L381-T384 PolarHBondContact O-N 3.29Å; L381-T384 VanDerWaalsContact O-N 3.11Å; T384-L387 PolarHBondContact O-N 2.63Å; T384-M388 HydrophobicContact CG2-CE 4.32Å; T384-M388 WeakPolarHBondContact O-CG 3.49Å; T384-M388 PolarHBondContact O-N 2.91Å; T384-M388 VanDerWaalsContact O-N 3.08Å; T384-L405 HydrophobicContact CG2-CD1 4.33Å
385	I	92.1	Very high	90.8	Very high	0 Å²	0	74.5 Å²	74.5	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-58.2	-51.1	176.7	-65.8	158.6	0	0	0	110.6	L381 R382 L387 M388 L389 L402 V415 M418	L381-I385 HydrophobicContact CD1-CD1 3.97Å; L381-I385 HydrophobicContact CD1-CG1 4.35Å; L381-I385 HydrophobicContact CG-CD1 3.82Å; L381-I385 WeakPolarHBondContact O-CG1 3.25Å; L381-I385 PolarHBondContact O-N 2.97Å; R382-I385 PolarHBondContact O-N 3.32Å; I385-L387 VanDerWaalsContact C-N 3.34Å; I385-L387 PolarHBondContact O-N 2.74Å; I385-M388 HydrophobicContact CG1-CE 4.44Å; I385-M388 PolarHBondContact O-N 3.16Å; I385-L389 HydrophobicContact CG2-CD1 3.75Å; I385-L389 HydrophobicContact CG2-CG 4.21Å; I385-L389 WeakPolarHBondContact O-CB 3.46Å; I385-L389 VanDerWaalsContact O-CG 3.29Å; I385-L389 WeakPolarHBondContact O-CG 3.2Å; I385-L389 PolarHBondContact O-N 3.26Å; I385-L402 HydrophobicContact CG2-CD2 4.23Å; I385-V415 HydrophobicContact CD1-CB 4.5Å; I385-V415 HydrophobicContact CD1-CG2 3.76Å; I385-V415 HydrophobicContact CG1-CG2 4.4Å; I385-M418 HydrophobicContact CB-CB 4.33Å; I385-M418 HydrophobicContact CD1-CG 4.45Å; I385-M418 HydrophobicContact CG2-CB 3.61Å; I385-M418 HydrophobicContact CG2-CG 4.32Å
386	Y	93.4	Very high	90.9	Very high	112 Å²	112	73 Å²	73	44%	0.439	37%	0.37	S	S	.	.	H	α-helix	trans	-53.9	-47.2	177.1	179.4	-93.4	0	0	0	112.7	R382 M388 L389 Q390 M418 C422	R382-Y386 WeakPolarHBondContact O-CB 3.37Å; R382-Y386 PolarHBondContact O-N 2.86Å; Y386-M388 PolarHBondContact O-N 3.33Å; Y386-L389 PolarHBondContact O-N 2.97Å; Y386-Q390 WeakPolarHBondContact O-CB 3.39Å; Y386-Q390 PolarHBondContact O-N 3.14Å; Y386-M418 HydrophobicContact CD2-CE 4.41Å; Y386-C422 VanDerWaalsContact CD2-SG 3.59Å
387	L	92.9	Very high	91	Very high	98 Å²	98	72.6 Å²	72.6	51%	0.513	36%	0.362	S	S	.	.	H	α-helix	trans	-67.1	-34.8	-178.3	-71	171	0	0	0	112.8	R383 T384 I385 S391	R383-L387 HydrophobicContact CG-CD1 4.19Å; R383-L387 VanDerWaalsContact O-CG 3.32Å; R383-L387 WeakPolarHBondContact O-CG 3.27Å; R383-L387 PolarHBondContact O-N 3.4Å; R383-L387 VanDerWaalsContact O-N 3.08Å; T384-L387 PolarHBondContact O-N 2.63Å; I385-L387 VanDerWaalsContact C-N 3.34Å; I385-L387 PolarHBondContact O-N 2.74Å; L387-S391 VanDerWaalsContact O-CB 3.26Å; L387-S391 WeakPolarHBondContact O-CB 3.2Å; L387-S391 PolarHBondContact O-N 2.81Å; L387-S391 PolarHBondContact O-OG 2.98Å
388	M	90.8	Very high	91.2	Very high	28 Å²	28	66.8 Å²	66.8	14%	0.138	33%	0.332	C	S	.	.	H	α-helix	trans	-70.1	-41	172.2	-65.7	-175.5	-62.4	0	0	112.1	T384 I385 Y386 Q390 S391 S392 R401 L402 L405	T384-M388 HydrophobicContact CG2-CE 4.32Å; T384-M388 WeakPolarHBondContact O-CG 3.49Å; T384-M388 PolarHBondContact O-N 2.91Å; T384-M388 VanDerWaalsContact O-N 3.08Å; I385-M388 HydrophobicContact CG1-CE 4.44Å; I385-M388 PolarHBondContact O-N 3.16Å; Y386-M388 PolarHBondContact O-N 3.33Å; M388-Q390 VanDerWaalsContact C-N 3.28Å; M388-Q390 PolarHBondContact O-N 3.43Å; M388-S391 PolarHBondContact O-N 3.37Å; M388-S391 PolarHBondContact O-OG 3.21Å; M388-S392 WeakPolarHBondContact O-CB 3.39Å; M388-S392 PolarHBondContact O-N 2.89Å; M388-S392 PolarHBondContact O-OG 2.89Å; M388-R401 HydrophobicContact SD-CB 4.36Å; M388-L402 HydrophobicContact CE-CD2 3.71Å; M388-L405 HydrophobicContact CE-CD1 3.37Å; M388-L405 HydrophobicContact CE-CG 3.94Å; M388-L405 HydrophobicContact SD-CD1 4.14Å; M388-L405 HydrophobicContact SD-CG 4.12Å
389	L	91.7	Very high	91.3	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-63.9	-33.3	176.9	-70.2	177.2	0	0	0	112.2	I385 Y386 S392 A398 L402 V419 C422 R432 L436	I385-L389 HydrophobicContact CG2-CD1 3.75Å; I385-L389 HydrophobicContact CG2-CG 4.21Å; I385-L389 WeakPolarHBondContact O-CB 3.46Å; I385-L389 VanDerWaalsContact O-CG 3.29Å; I385-L389 WeakPolarHBondContact O-CG 3.2Å; I385-L389 PolarHBondContact O-N 3.26Å; Y386-L389 PolarHBondContact O-N 2.97Å; L389-S392 PolarHBondContact O-OG 2.82Å; L389-A398 HydrophobicContact CD2-CB 4.4Å; L389-L402 HydrophobicContact CD2-CD1 4.26Å; L389-V419 HydrophobicContact CD1-CG2 3.98Å; L389-V419 HydrophobicContact CD2-CG2 4.16Å; L389-C422 HydrophobicContact CD1-CB 4.26Å; L389-R432 VanDerWaalsContact O-CZ 3.27Å; L389-R432 PolarHBondContact O-NH1 2.92Å; L389-R432 PolarHBondContact O-NH2 3.24Å; L389-L436 HydrophobicContact CD2-CD2 3.37Å
390	Q	90.6	Very high	91.2	Very high	124 Å²	124	65.3 Å²	65.3	58%	0.579	32%	0.318	S	S	*	.	H	α-helix	trans	-84.5	-24.5	178.5	-169.6	58.1	36.3	0	0	113.6	Y386 M388	Y386-Q390 WeakPolarHBondContact O-CB 3.39Å; Y386-Q390 PolarHBondContact O-N 3.14Å; M388-Q390 VanDerWaalsContact C-N 3.28Å; M388-Q390 PolarHBondContact O-N 3.43Å
391	S	91.3	Very high	91.1	Very high	67 Å²	67	62.6 Å²	62.6	47%	0.469	30%	0.302	S	S	.	.	S	Bend	trans	-97.5	6.9	179.8	62.6	0	0	0	0	114.7	L387 M388 R401	L387-S391 VanDerWaalsContact O-CB 3.26Å; L387-S391 WeakPolarHBondContact O-CB 3.2Å; L387-S391 PolarHBondContact O-N 2.81Å; L387-S391 PolarHBondContact O-OG 2.98Å; M388-S391 PolarHBondContact O-N 3.37Å; M388-S391 PolarHBondContact O-OG 3.21Å; S391-R401 PolarHBondContact O-NH1 3.35Å; S391-R401 PolarHBondContact O-NH2 3.19Å; S391-R401 PolarHBondContact OG-NH1 3.05Å
392	S	91.2	Very high	91	Very high	7 Å²	7	61.4 Å²	61.4	5%	0.049	30%	0.296	C	S	.	.			trans	-107.5	127.1	176	44.2	0	0	0	0	110.8	M388 L389 E397 A398 R432	M388-S392 WeakPolarHBondContact O-CB 3.39Å; M388-S392 PolarHBondContact O-N 2.89Å; M388-S392 PolarHBondContact O-OG 2.89Å; L389-S392 PolarHBondContact O-OG 2.82Å; S392-E397 WeakPolarHBondContact CA-OE2 3.41Å; S392-A398 WeakPolarHBondContact OG-CB 3.46Å; S392-R432 PolarHBondContact O-NH1 2.72Å; S392-R432 PolarHBondContact OG-NH1 2.75Å
393	L	88.9	Confident	90.6	Very high	160 Å²	160	60.2 Å²	60.2	84%	0.838	30%	0.296	S	S	*	.	S	Bend	trans	-81.7	-39.7	-177.3	-177	62.7	0	0	0	111.6	E397 R432	L393-E397 PolarHBondContact N-OE2 3.16Å; L393-R432 WeakPolarHBondContact O-CD 3.47Å
394	S	90.6	Very high	90.3	Very high	49 Å²	49	57.9 Å²	57.9	34%	0.343	29%	0.293	S	S	.	.	S	Bend	trans	-102.5	151.8	177.8	-174.9	0	0	0	0	112.3	D396 E397 A398	S394-D396 PolarHBondContact O-N 3.39Å; S394-D396 PolarHBondContact OG-N 3.21Å; S394-D396 PolarHBondContact OG-OD2 2.84Å; S394-E397 PolarHBondContact O-N 2.84Å; S394-A398 WeakPolarHBondContact O-CB 3.47Å; S394-A398 PolarHBondContact O-N 3.02Å
395	A	89.7	Confident	89.7	Confident	4 Å²	4	58.7 Å²	58.7	3%	0.033	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-32.1	166.7	0	0	0	0	0	112.3	G399 R432 R435 L436	A395-G399 PolarHBondContact O-N 2.71Å; A395-R432 HydrophobicContact CB-CG 4.1Å; A395-R432 WeakPolarHBondContact CB-O 3.34Å; A395-R435 HydrophobicContact CB-CB 3.76Å; A395-L436 HydrophobicContact CB-CB 4.12Å
396	D	89.9	Confident	88.9	Confident	86 Å²	86	68.6 Å²	68.6	46%	0.46	34%	0.338	S	S	.	.	H	α-helix	trans	-71	-38.4	179	-58.6	-61.5	0	0	0	112.2	S394 H400 R439	S394-D396 PolarHBondContact O-N 3.39Å; S394-D396 PolarHBondContact OG-N 3.21Å; S394-D396 PolarHBondContact OG-OD2 2.84Å; D396-H400 WeakPolarHBondContact O-CB 2.98Å; D396-H400 PolarHBondContact O-N 2.99Å; D396-R439 IonicContact OD1-CZ 3.88Å; D396-R439 IonicContact OD1-NH1 2.86Å; D396-R439 PolarHBondContact OD1-NH1 2.64Å
397	E	91.3	Very high	88.2	Confident	71 Å²	71	64.6 Å²	64.6	33%	0.332	32%	0.324	S	S	.	.	H	α-helix	trans	-68.6	-46	173.9	178.4	-177.6	-151.3	0	0	110.8	S392 L393 S394 G399 H400 R401	S392-E397 WeakPolarHBondContact CA-OE2 3.41Å; L393-E397 PolarHBondContact N-OE2 3.16Å; S394-E397 PolarHBondContact O-N 2.84Å; E397-G399 VanDerWaalsContact C-N 3.35Å; E397-G399 PolarHBondContact O-N 3.33Å; E397-H400 PolarHBondContact O-N 3.39Å; E397-R401 WeakPolarHBondContact O-CG 3.34Å; E397-R401 PolarHBondContact O-N 3.18Å; E397-R401 IonicContact OE1-CZ 3.52Å; E397-R401 IonicContact OE1-NE 3.03Å; E397-R401 IonicContact OE1-NH2 3.59Å; E397-R401 PolarHBondContact OE1-NH2 2.89Å
398	A	91.5	Very high	87.4	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.008	33%	0.327	C	S	.	.	H	α-helix	trans	-56.4	-48.8	175.1	0	0	0	0	0	111.3	L389 S392 S394 H400 R401 L402 L436	L389-A398 HydrophobicContact CD2-CB 4.4Å; S392-A398 WeakPolarHBondContact OG-CB 3.46Å; S394-A398 WeakPolarHBondContact O-CB 3.47Å; S394-A398 PolarHBondContact O-N 3.02Å; A398-H400 PolarHBondContact O-N 3.19Å; A398-R401 PolarHBondContact O-N 3.18Å; A398-L402 WeakPolarHBondContact O-CG 3.5Å; A398-L402 PolarHBondContact O-N 3.15Å; A398-L436 HydrophobicContact CB-CD1 3.92Å; A398-L436 HydrophobicContact CB-CD2 3.94Å
399	G	89.3	Confident	86.6	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-62.8	-41.4	177.5	0	0	0	0	0	112.8	A395 E397 L402 L403	A395-G399 PolarHBondContact O-N 2.71Å; E397-G399 VanDerWaalsContact C-N 3.35Å; E397-G399 PolarHBondContact O-N 3.33Å; G399-L402 PolarHBondContact O-N 3.05Å; G399-L403 WeakPolarHBondContact O-CD1 3.08Å; G399-L403 VanDerWaalsContact O-CG 3.23Å; G399-L403 WeakPolarHBondContact O-CG 3.49Å; G399-L403 PolarHBondContact O-N 3.25Å; G399-L403 VanDerWaalsContact O-N 3.07Å
400	H	88.9	Confident	86	Confident	100 Å²	100	71.6 Å²	71.6	46%	0.463	37%	0.374	S	S	.	.	H	α-helix	trans	-64.1	-44.6	175.8	-177.3	-112.1	0	0	0	112.4	D396 E397 A398 L402 L403 Q404	D396-H400 WeakPolarHBondContact O-CB 2.98Å; D396-H400 PolarHBondContact O-N 2.99Å; E397-H400 PolarHBondContact O-N 3.39Å; A398-H400 PolarHBondContact O-N 3.19Å; H400-L402 PolarHBondContact O-N 3.38Å; H400-L403 PolarHBondContact O-N 3.49Å; H400-Q404 VanDerWaalsContact CE1-CD 3.48Å; H400-Q404 PolarHBondContact CE1-NE2 2.73Å; H400-Q404 WeakPolarHBondContact O-CG 2.96Å; H400-Q404 PolarHBondContact O-N 3.01Å
401	R	89.5	Confident	85.8	Confident	72 Å²	72	68 Å²	68	27%	0.272	36%	0.357	S	S	.	.	H	α-helix	trans	-63.3	-40.6	177	-69.1	-177.9	-172.3	-169.4	10.2	112.2	M388 S391 E397 A398 L403 Q404 L405	M388-R401 HydrophobicContact SD-CB 4.36Å; S391-R401 PolarHBondContact O-NH1 3.35Å; S391-R401 PolarHBondContact O-NH2 3.19Å; S391-R401 PolarHBondContact OG-NH1 3.05Å; E397-R401 WeakPolarHBondContact O-CG 3.34Å; E397-R401 PolarHBondContact O-N 3.18Å; E397-R401 IonicContact OE1-CZ 3.52Å; E397-R401 IonicContact OE1-NE 3.03Å; E397-R401 IonicContact OE1-NH2 3.59Å; E397-R401 PolarHBondContact OE1-NH2 2.89Å; A398-R401 PolarHBondContact O-N 3.18Å; R401-L403 PolarHBondContact O-N 2.94Å; R401-Q404 PolarHBondContact O-N 3.11Å; R401-L405 PolarHBondContact O-N 2.78Å
402	L	88.5	Confident	85.6	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.1	-40.3	174.8	-73.3	173.6	0	0	0	112.4	I385 M388 L389 A398 G399 H400 Q404 L405 I407 V415 V419 L436 L440	I385-L402 HydrophobicContact CG2-CD2 4.23Å; M388-L402 HydrophobicContact CE-CD2 3.71Å; L389-L402 HydrophobicContact CD2-CD1 4.26Å; A398-L402 WeakPolarHBondContact O-CG 3.5Å; A398-L402 PolarHBondContact O-N 3.15Å; G399-L402 PolarHBondContact O-N 3.05Å; H400-L402 PolarHBondContact O-N 3.38Å; L402-Q404 VanDerWaalsContact C-N 3.29Å; L402-Q404 PolarHBondContact O-N 3.07Å; L402-L405 PolarHBondContact O-N 3.13Å; L402-I407 WeakPolarHBondContact O-CD1 3.37Å; L402-V415 HydrophobicContact CD1-CG1 4.18Å; L402-V415 HydrophobicContact CD2-CG1 4.15Å; L402-V419 HydrophobicContact CD1-CG2 4.43Å; L402-L436 HydrophobicContact CD1-CD1 4.27Å; L402-L436 HydrophobicContact CD1-CD2 4.47Å; L402-L440 HydrophobicContact CD1-CD1 4.18Å; L402-L440 HydrophobicContact CD1-CD2 4.32Å
403	L	85	Confident	85.5	Confident	64 Å²	64	67.5 Å²	67.5	34%	0.335	35%	0.345	S	S	.	.	H	α-helix	trans	-75.4	-15.1	177.2	-64.8	166.6	0	0	0	113.7	G399 H400 R401 V443 F445	G399-L403 WeakPolarHBondContact O-CD1 3.08Å; G399-L403 VanDerWaalsContact O-CG 3.23Å; G399-L403 WeakPolarHBondContact O-CG 3.49Å; G399-L403 PolarHBondContact O-N 3.25Å; G399-L403 VanDerWaalsContact O-N 3.07Å; H400-L403 PolarHBondContact O-N 3.49Å; R401-L403 PolarHBondContact O-N 2.94Å; L403-V443 HydrophobicContact CD1-CG2 3.95Å; L403-V443 HydrophobicContact CD2-CG1 3.99Å; L403-V443 HydrophobicContact CD2-CG2 4.23Å; L403-F445 HydrophobicContact CD2-CE1 4.09Å; L403-F445 HydrophobicContact CD2-CZ 3.98Å
404	Q	85.6	Confident	85.6	Confident	128 Å²	128	61 Å²	61	60%	0.598	31%	0.31	S	S	*	.	H	α-helix	trans	-81.9	-22.7	171.2	-76.6	-175.2	-37.2	0	0	112.8	H400 R401 L402 K406	H400-Q404 VanDerWaalsContact CE1-CD 3.48Å; H400-Q404 PolarHBondContact CE1-NE2 2.73Å; H400-Q404 WeakPolarHBondContact O-CG 2.96Å; H400-Q404 PolarHBondContact O-N 3.01Å; R401-Q404 PolarHBondContact O-N 3.11Å; L402-Q404 VanDerWaalsContact C-N 3.29Å; L402-Q404 PolarHBondContact O-N 3.07Å; Q404-K406 PolarHBondContact O-N 3.31Å
405	L	81.2	Confident	85.6	Confident	59 Å²	59	58.8 Å²	58.8	31%	0.309	29%	0.294	S	S	.	.	S	Bend	trans	-68.1	128.9	161.9	-71.9	-167.3	0	0	0	109.1	T384 M388 R401 L402 I407	T384-L405 HydrophobicContact CG2-CD1 4.33Å; M388-L405 HydrophobicContact CE-CD1 3.37Å; M388-L405 HydrophobicContact CE-CG 3.94Å; M388-L405 HydrophobicContact SD-CD1 4.14Å; M388-L405 HydrophobicContact SD-CG 4.12Å; R401-L405 PolarHBondContact O-N 2.78Å; L402-L405 PolarHBondContact O-N 3.13Å; L405-I407 HydrophobicContact CB-CG1 4.01Å; L405-I407 PolarHBondContact O-N 3.43Å
406	K	75.6	Confident	85.7	Confident	208 Å²	208	58.6 Å²	58.6	90%	0.904	29%	0.293	S	S	*	.			trans	-78.1	68.2	169.7	-63.4	-178.6	-178.8	179.3	0	109.6	Q404 K408	Q404-K406 PolarHBondContact O-N 3.31Å; K406-K408 PolarHBondContact O-N 3.28Å
407	I	77.5	Confident	85.9	Confident	28 Å²	28	55 Å²	55	14%	0.144	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-53.2	129.6	176.5	-62.4	155.1	0	0	0	108.6	L402 L405 E411 E412 V415 Y499	L402-I407 WeakPolarHBondContact O-CD1 3.37Å; L405-I407 HydrophobicContact CB-CG1 4.01Å; L405-I407 PolarHBondContact O-N 3.43Å; I407-E411 HydrophobicContact CG2-CB 3.55Å; I407-E412 HydrophobicContact CG2-CG 4.26Å; I407-V415 HydrophobicContact CD1-CG2 3.91Å; I407-V415 HydrophobicContact CG1-CG2 4.25Å; I407-V415 HydrophobicContact CG2-CG2 4.34Å; I407-Y499 WeakPolarHBondContact CD1-OH 3.38Å
408	K	77.3	Confident	86	Confident	135 Å²	135	52.7 Å²	52.7	59%	0.587	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-71.5	161.5	-179.4	-62.9	-175.5	-173.6	170.4	0	111	K406 G410 E411	K406-K408 PolarHBondContact O-N 3.28Å; K408-G410 PolarHBondContact O-N 3.27Å; K408-E411 VanDerWaalsContact CB-CD 3.49Å; K408-E411 HydrophobicContact CB-CG 4.02Å; K408-E411 WeakPolarHBondContact CB-OE2 3.5Å; K408-E411 WeakPolarHBondContact CD-OE1 3.46Å; K408-E411 PolarHBondContact N-OE2 2.9Å; K408-E411 PolarHBondContact O-N 2.97Å
409	P	72.9	Confident	86	Confident	81 Å²	81	52.6 Å²	52.6	53%	0.526	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	136.4	166.3	-16.7	29.2	0	0	0	110.1	E411	P409-E411 VanDerWaalsContact C-N 3.33Å; P409-E411 PolarHBondContact O-N 2.94Å
410	G	79.5	Confident	86.3	Confident	58 Å²	58	52.6 Å²	52.6	60%	0.598	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-35.4	-178.5	0	0	0	0	0	115.7	K408 E412 Y413	K408-G410 PolarHBondContact O-N 3.27Å; G410-E412 PolarHBondContact O-N 3.06Å; G410-Y413 PolarHBondContact O-N 3.05Å
411	E	86.3	Confident	86.5	Confident	49 Å²	49	51 Å²	51	23%	0.229	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.1	179.9	-72.1	176.4	176.9	0	0	113.7	L381 I407 K408 P409 Y413 E414 V415	L381-E411 HydrophobicContact CD2-CB 4.01Å; L381-E411 HydrophobicContact CD2-CG 3.74Å; I407-E411 HydrophobicContact CG2-CB 3.55Å; K408-E411 VanDerWaalsContact CB-CD 3.49Å; K408-E411 HydrophobicContact CB-CG 4.02Å; K408-E411 WeakPolarHBondContact CB-OE2 3.5Å; K408-E411 WeakPolarHBondContact CD-OE1 3.46Å; K408-E411 PolarHBondContact N-OE2 2.9Å; K408-E411 PolarHBondContact O-N 2.97Å; P409-E411 VanDerWaalsContact C-N 3.33Å; P409-E411 PolarHBondContact O-N 2.94Å; E411-Y413 VanDerWaalsContact C-N 3.25Å; E411-Y413 PolarHBondContact O-N 3.2Å; E411-E414 WeakPolarHBondContact O-CB 3.47Å; E411-E414 PolarHBondContact O-N 3.26Å; E411-E414 VanDerWaalsContact O-N 3.1Å; E411-V415 PolarHBondContact O-N 3.4Å
412	E	86.5	Confident	86.6	Confident	9 Å²	9	48.1 Å²	48.1	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-58.5	-32.5	177.5	-66.3	170.9	-154.3	0	0	113.4	I407 G410 A416 R497 Y499 Q502	I407-E412 HydrophobicContact CG2-CG 4.26Å; G410-E412 PolarHBondContact O-N 3.06Å; E412-A416 PolarHBondContact O-N 2.86Å; E412-A416 VanDerWaalsContact O-N 3.14Å; E412-R497 WeakPolarHBondContact OE1-CD 3.41Å; E412-R497 IonicContact OE1-NH1 2.7Å; E412-Y499 HydrophobicContact CB-CD1 4.36Å; E412-Y499 HydrophobicContact CB-CE1 3.91Å; E412-Y499 HydrophobicContact CG-CE1 4.19Å; E412-Q502 HydrophobicContact CB-CG 4.44Å
413	Y	90.3	Very high	86.9	Confident	55 Å²	55	48.1 Å²	48.1	22%	0.216	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-43.4	174.1	171.8	-91.9	0	0	0	111.6	G410 E411 V415 A416 S417 K505 I506 E509	G410-Y413 PolarHBondContact O-N 3.05Å; E411-Y413 VanDerWaalsContact C-N 3.25Å; E411-Y413 PolarHBondContact O-N 3.2Å; Y413-V415 VanDerWaalsContact C-N 3.34Å; Y413-V415 PolarHBondContact O-N 3.37Å; Y413-A416 PolarHBondContact O-N 2.98Å; Y413-S417 PolarHBondContact O-N 3.34Å; Y413-K505 HydrophobicContact CD2-CD 4.02Å; Y413-K505 HydrophobicContact CE2-CD 3.92Å; Y413-I506 HydrophobicContact CD2-CD1 4.14Å; Y413-I506 HydrophobicContact CD2-CG1 4.01Å; Y413-I506 HydrophobicContact CE2-CD1 4.07Å; Y413-I506 HydrophobicContact CE2-CG1 3.51Å; Y413-E509 WeakPolarHBondContact CE2-OE2 3.42Å; Y413-E509 PolarHBondContact OH-OE2 3.36Å
414	E	90.5	Very high	87.3	Confident	24 Å²	24	45.5 Å²	45.5	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-66.3	-36.1	179.7	-73.3	-60.7	144.6	0	0	112.3	L378 R382 E411 M418	L378-E414 HydrophobicContact CD1-CG 4.4Å; R382-E414 IonicContact CZ-OE1 3.13Å; R382-E414 IonicContact CZ-OE2 2.67Å; R382-E414 IonicContact NE-OE2 2.68Å; R382-E414 PolarHBondContact NE-OE2 3.27Å; R382-E414 IonicContact NH2-OE1 2.79Å; R382-E414 PolarHBondContact NH2-OE1 2.86Å; R382-E414 IonicContact NH2-OE2 3.45Å; R382-E414 PolarHBondContact NH2-OE2 3.02Å; E411-E414 WeakPolarHBondContact O-CB 3.47Å; E411-E414 PolarHBondContact O-N 3.26Å; E411-E414 VanDerWaalsContact O-N 3.1Å; E414-M418 WeakPolarHBondContact O-CB 3.44Å; E414-M418 WeakPolarHBondContact O-CG 3.36Å; E414-M418 PolarHBondContact O-N 3.11Å
415	V	91.2	Very high	87.6	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-63.4	-44	171.8	175.9	0	0	0	0	111.2	I385 L402 I407 E411 Y413 V419 Y499	I385-V415 HydrophobicContact CD1-CB 4.5Å; I385-V415 HydrophobicContact CD1-CG2 3.76Å; I385-V415 HydrophobicContact CG1-CG2 4.4Å; L402-V415 HydrophobicContact CD1-CG1 4.18Å; L402-V415 HydrophobicContact CD2-CG1 4.15Å; I407-V415 HydrophobicContact CD1-CG2 3.91Å; I407-V415 HydrophobicContact CG1-CG2 4.25Å; I407-V415 HydrophobicContact CG2-CG2 4.34Å; E411-V415 PolarHBondContact O-N 3.4Å; Y413-V415 VanDerWaalsContact C-N 3.34Å; Y413-V415 PolarHBondContact O-N 3.37Å; V415-V419 WeakPolarHBondContact O-CG2 3.48Å; V415-V419 PolarHBondContact O-N 2.73Å; V415-V419 VanDerWaalsContact O-N 3.15Å; V415-Y499 HydrophobicContact CB-CE1 4.27Å; V415-Y499 HydrophobicContact CG1-CE1 4.15Å
416	A	91.5	Very high	88.1	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67.4	-41.2	178.1	0	0	0	0	0	112.5	E412 Y413 V419 L420 Q502 F503 I506	E412-A416 PolarHBondContact O-N 2.86Å; E412-A416 VanDerWaalsContact O-N 3.14Å; Y413-A416 PolarHBondContact O-N 2.98Å; A416-V419 PolarHBondContact O-N 3.02Å; A416-L420 PolarHBondContact O-N 3.34Å; A416-Q502 HydrophobicContact CB-CB 4.18Å; A416-F503 HydrophobicContact CB-CD1 4.07Å; A416-F503 HydrophobicContact CB-CD2 4.42Å; A416-F503 HydrophobicContact CB-CE1 3.78Å; A416-F503 HydrophobicContact CB-CE2 4.16Å; A416-F503 HydrophobicContact CB-CG 4.38Å; A416-F503 HydrophobicContact CB-CZ 3.82Å; A416-I506 HydrophobicContact CB-CD1 3.48Å; A416-I506 VanDerWaalsContact CB-CD1 3.48Å
417	S	93.6	Very high	88.9	Confident	11 Å²	11	45.4 Å²	45.4	8%	0.077	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-48	175.6	-165.2	0	0	0	0	111.3	Y413 V419 L420 D421	Y413-S417 PolarHBondContact O-N 3.34Å; S417-V419 VanDerWaalsContact C-N 3.28Å; S417-V419 PolarHBondContact O-N 2.99Å; S417-L420 CarbonylContact O-C 3.54Å; S417-L420 WeakPolarHBondContact O-CA 3.49Å; S417-L420 VanDerWaalsContact O-CB 3.32Å; S417-L420 WeakPolarHBondContact O-CB 3.32Å; S417-L420 PolarHBondContact O-N 3.41Å; S417-D421 PolarHBondContact O-N 3.02Å; S417-D421 VanDerWaalsContact O-OD2 3.1Å; S417-D421 PolarHBondContact OG-OD2 3.41Å; S417-D421 VanDerWaalsContact OG-OD2 3.08Å
418	M	92.8	Very high	89.6	Confident	22 Å²	22	47.6 Å²	47.6	11%	0.108	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-33.8	179.4	-78	-60.5	-50.7	0	0	113.3	R382 I385 Y386 E414 L420 D421 C422	R382-M418 HydrophobicContact CB-CE 4.49Å; R382-M418 HydrophobicContact CB-CG 4.08Å; R382-M418 HydrophobicContact CB-SD 3.75Å; R382-M418 HydrophobicContact CG-CG 3.77Å; R382-M418 HydrophobicContact CG-SD 3.72Å; I385-M418 HydrophobicContact CB-CB 4.33Å; I385-M418 HydrophobicContact CD1-CG 4.45Å; I385-M418 HydrophobicContact CG2-CB 3.61Å; I385-M418 HydrophobicContact CG2-CG 4.32Å; Y386-M418 HydrophobicContact CD2-CE 4.41Å; E414-M418 WeakPolarHBondContact O-CB 3.44Å; E414-M418 WeakPolarHBondContact O-CG 3.36Å; E414-M418 PolarHBondContact O-N 3.11Å; M418-L420 VanDerWaalsContact C-N 3.33Å; M418-D421 PolarHBondContact O-N 3.43Å; M418-C422 WeakPolarHBondContact O-CB 3.3Å; M418-C422 PolarHBondContact O-N 3.04Å; M418-C422 PolarHBondContact O-SG 3.34Å
419	V	93.4	Very high	90.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-39.2	172	167.7	0	0	0	0	111.4	L389 L402 V415 A416 S417 C423 L436 A437 L440	L389-V419 HydrophobicContact CD1-CG2 3.98Å; L389-V419 HydrophobicContact CD2-CG2 4.16Å; L402-V419 HydrophobicContact CD1-CG2 4.43Å; V415-V419 WeakPolarHBondContact O-CG2 3.48Å; V415-V419 PolarHBondContact O-N 2.73Å; V415-V419 VanDerWaalsContact O-N 3.15Å; A416-V419 PolarHBondContact O-N 3.02Å; S417-V419 VanDerWaalsContact C-N 3.28Å; S417-V419 PolarHBondContact O-N 2.99Å; V419-C423 WeakPolarHBondContact O-CB 3.4Å; V419-C423 PolarHBondContact O-N 3.49Å; V419-L436 HydrophobicContact CG1-CD2 4.24Å; V419-L436 HydrophobicContact CG2-CD2 4.01Å; V419-A437 HydrophobicContact CG1-CB 4.4Å; V419-L440 HydrophobicContact CG2-CD1 4.21Å
420	L	93.9	Very high	91.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-67.6	-48.8	173.8	175	69.5	0	0	0	111.9	A416 S417 M418 C422 C423 A424 I506 Q510 V525 L528 F529	A416-L420 PolarHBondContact O-N 3.34Å; S417-L420 CarbonylContact O-C 3.54Å; S417-L420 WeakPolarHBondContact O-CA 3.49Å; S417-L420 VanDerWaalsContact O-CB 3.32Å; S417-L420 WeakPolarHBondContact O-CB 3.32Å; S417-L420 PolarHBondContact O-N 3.41Å; M418-L420 VanDerWaalsContact C-N 3.33Å; L420-C422 PolarHBondContact O-N 3.24Å; L420-C423 CarbonylContact O-C 3.5Å; L420-C423 WeakPolarHBondContact O-CA 3.48Å; L420-C423 WeakPolarHBondContact O-CB 3.45Å; L420-C423 PolarHBondContact O-N 3.06Å; L420-A424 WeakPolarHBondContact O-CB 3.41Å; L420-A424 PolarHBondContact O-N 2.94Å; L420-I506 HydrophobicContact CD2-CG2 3.54Å; L420-Q510 VanDerWaalsContact CD2-CD 3.48Å; L420-Q510 HydrophobicContact CD2-CG 3.5Å; L420-V525 HydrophobicContact CD1-CB 4.39Å; L420-V525 HydrophobicContact CD1-CG1 3.91Å; L420-V525 HydrophobicContact CD1-CG2 3.98Å; L420-L528 HydrophobicContact CB-CD2 4.46Å; L420-L528 HydrophobicContact CD1-CD2 3.55Å; L420-F529 HydrophobicContact CD1-CE2 4.2Å; L420-F529 HydrophobicContact CD1-CZ 4.39Å; L420-F529 HydrophobicContact CD2-CZ 4.47Å
421	D	93.4	Very high	91.8	Very high	66 Å²	66	43.6 Å²	43.6	35%	0.353	21%	0.213	S	C	.	.	H	α-helix	trans	-64	-39.8	-175.9	-71	-50.4	0	0	0	111.7	S417 M418 C423 A424 Q425	S417-D421 PolarHBondContact O-N 3.02Å; S417-D421 VanDerWaalsContact O-OD2 3.1Å; S417-D421 PolarHBondContact OG-OD2 3.41Å; S417-D421 VanDerWaalsContact OG-OD2 3.08Å; M418-D421 PolarHBondContact O-N 3.43Å; D421-C423 VanDerWaalsContact C-N 3.34Å; D421-C423 PolarHBondContact O-N 3.39Å; D421-A424 PolarHBondContact O-N 3.02Å; D421-Q425 WeakPolarHBondContact O-CB 3.45Å; D421-Q425 PolarHBondContact O-N 2.96Å
422	C	93.1	Very high	92.1	Very high	12 Å²	12	42.9 Å²	42.9	8%	0.081	21%	0.209	C	C	.	.	H	α-helix	trans	-57.3	-45.5	168.4	-73.7	0	0	0	0	111.8	Y386 L389 M418 L420 Q425 T426 Y433	Y386-C422 VanDerWaalsContact CD2-SG 3.59Å; L389-C422 HydrophobicContact CD1-CB 4.26Å; M418-C422 WeakPolarHBondContact O-CB 3.3Å; M418-C422 PolarHBondContact O-N 3.04Å; M418-C422 PolarHBondContact O-SG 3.34Å; L420-C422 PolarHBondContact O-N 3.24Å; C422-Q425 PolarHBondContact O-N 2.77Å; C422-T426 WeakPolarHBondContact O-CG2 3.24Å; C422-T426 PolarHBondContact O-N 3.11Å; C422-Y433 HydrophobicContact CB-CD1 4.45Å; C422-Y433 HydrophobicContact CB-CE1 3.67Å
423	C	93.7	Very high	92.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.1	-34.8	178	-172.6	0	0	0	0	112.9	V419 L420 D421 T426 Y433 N524 L528	V419-C423 WeakPolarHBondContact O-CB 3.4Å; V419-C423 PolarHBondContact O-N 3.49Å; L420-C423 CarbonylContact O-C 3.5Å; L420-C423 WeakPolarHBondContact O-CA 3.48Å; L420-C423 WeakPolarHBondContact O-CB 3.45Å; L420-C423 PolarHBondContact O-N 3.06Å; D421-C423 VanDerWaalsContact C-N 3.34Å; D421-C423 PolarHBondContact O-N 3.39Å; C423-T426 PolarHBondContact O-OG1 3.3Å; C423-T426 VanDerWaalsContact O-OG1 3.07Å; C423-Y433 HydrophobicContact CB-CD1 3.95Å; C423-Y433 HydrophobicContact CB-CD2 4.05Å; C423-Y433 HydrophobicContact CB-CG 3.65Å; C423-N524 WeakPolarHBondContact O-CB 3.34Å; C423-N524 PolarHBondContact O-ND2 2.88Å; C423-L528 HydrophobicContact CB-CD2 4.24Å
424	A	93.1	Very high	92.6	Very high	9 Å²	9	40 Å²	40	7%	0.074	20%	0.197	C	C	.	.	H	α-helix	trans	-70.1	-33.4	177.9	0	0	0	0	0	112.1	L420 D421 K521 V525	L420-A424 WeakPolarHBondContact O-CB 3.41Å; L420-A424 PolarHBondContact O-N 2.94Å; D421-A424 PolarHBondContact O-N 3.02Å; A424-K521 WeakPolarHBondContact O-CG 3.35Å; A424-V525 HydrophobicContact CB-CG2 3.64Å
425	Q	92.2	Very high	92.7	Very high	129 Å²	129	46.1 Å²	46.1	60%	0.603	22%	0.219	S	C	*	.	H	α-helix	trans	-84.4	-11.5	-176.3	-170.6	59.9	20.2	0	0	114.2	D421 C422	D421-Q425 WeakPolarHBondContact O-CB 3.45Å; D421-Q425 PolarHBondContact O-N 2.96Å; C422-Q425 PolarHBondContact O-N 2.77Å
426	T	91.6	Very high	92.8	Very high	26 Å²	26	46.1 Å²	46.1	16%	0.16	22%	0.219	C	C	.	.	S	Bend	trans	-66.2	148.6	175.2	59.6	0	0	0	0	112.4	C422 C423 S428 Y433 N524	C422-T426 WeakPolarHBondContact O-CG2 3.24Å; C422-T426 PolarHBondContact O-N 3.11Å; C423-T426 PolarHBondContact O-OG1 3.3Å; C423-T426 VanDerWaalsContact O-OG1 3.07Å; T426-S428 PolarHBondContact O-N 2.9Å; T426-S428 PolarHBondContact OG1-O 3.13Å; T426-Y433 HydrophobicContact CG2-CE2 3.82Å; T426-N524 PolarHBondContact O-ND2 2.99Å; T426-N524 PolarHBondContact OG1-ND2 3.16Å; T426-N524 VanDerWaalsContact OG1-ND2 3.09Å
427	R	91.7	Very high	92.8	Very high	238 Å²	238	46.1 Å²	46.1	90%	0.898	22%	0.219	S	C	*	.	S	Bend	trans	-61.9	-30.2	177	-174	179	179.1	-164.9	-0.2	112.9	R523	R427-R523 PolarHBondContact O-NH2 3.4Å
428	S	92.2	Very high	92.7	Very high	74 Å²	74	47.4 Å²	47.4	52%	0.517	22%	0.224	S	C	.	.	S	Bend	trans	-152	137.5	-179	49.6	0	0	0	0	108.9	T426 E430	T426-S428 PolarHBondContact O-N 2.9Å; T426-S428 PolarHBondContact OG1-O 3.13Å; S428-E430 PolarHBondContact O-N 3.33Å
429	Y	92.8	Very high	92.5	Very high	40 Å²	40	51.2 Å²	51.2	16%	0.157	24%	0.237	C	C	.	.			trans	-50.7	127.9	179.1	178.6	-102.8	0	0	0	113.2	N524 F527 L528	Y429-N524 WeakPolarHBondContact CD2-O 3.37Å; Y429-N524 PolarHBondContact N-OD1 3.22Å; Y429-F527 HydrophobicContact CD1-CB 3.84Å; Y429-F527 HydrophobicContact CD1-CD2 4.13Å; Y429-F527 HydrophobicContact CD1-CG 4.49Å; Y429-F527 HydrophobicContact CD2-CB 3.73Å; Y429-F527 HydrophobicContact CE1-CB 4.05Å; Y429-F527 HydrophobicContact CE2-CB 3.95Å; Y429-F527 HydrophobicContact CG-CB 3.68Å; Y429-F527 AromaticContact CG-CD2 3.98Å; Y429-F527 HydrophobicContact CG-CD2 3.98Å; Y429-F527 HydrophobicContact CG-CG 4.37Å; Y429-L528 HydrophobicContact CE2-CB 4.02Å; Y429-L528 HydrophobicContact CE2-CD1 4.22Å
430	E	92.6	Very high	92.3	Very high	85 Å²	85	51.2 Å²	51.2	40%	0.397	24%	0.237	S	C	.	.			trans	-104.8	127.2	170.7	-64.7	173.4	-170.8	0	0	109.5	S428 R432 Y433	S428-E430 PolarHBondContact O-N 3.33Å; E430-R432 HydrophobicContact CB-CB 4.32Å; E430-R432 PolarHBondContact O-N 2.95Å; E430-R432 IonicContact OE2-NE 1.79Å; E430-Y433 HydrophobicContact CB-CD2 3.93Å; E430-Y433 HydrophobicContact CB-CE2 4Å; E430-Y433 HydrophobicContact CG-CE2 4.43Å; E430-Y433 PolarHBondContact O-N 3.46Å; E430-Y433 WeakPolarHBondContact OE2-CE2 3.49Å
431	S	91.3	Very high	92	Very high	64 Å²	64	51.7 Å²	51.7	45%	0.448	24%	0.24	S	C	.	.	H	α-helix	trans	-62.8	-10.4	176.2	57.8	0	0	0	0	114	Y433 G434 R435	S431-Y433 VanDerWaalsContact C-N 3.33Å; S431-Y433 PolarHBondContact O-N 2.94Å; S431-G434 PolarHBondContact O-N 2.93Å; S431-R435 WeakPolarHBondContact O-CG 3.36Å; S431-R435 PolarHBondContact O-N 3.05Å; S431-R435 VanDerWaalsContact O-N 3.09Å
432	R	92.8	Very high	91.6	Very high	34 Å²	34	56.9 Å²	56.9	13%	0.128	26%	0.255	C	S	.	.	H	α-helix	trans	-55.5	-44.7	170.7	-167.8	179.7	72	107	4.2	111.8	L389 S392 L393 A395 E430 R435 L436	L389-R432 VanDerWaalsContact O-CZ 3.27Å; L389-R432 PolarHBondContact O-NH1 2.92Å; L389-R432 PolarHBondContact O-NH2 3.24Å; S392-R432 PolarHBondContact O-NH1 2.72Å; S392-R432 PolarHBondContact OG-NH1 2.75Å; L393-R432 WeakPolarHBondContact O-CD 3.47Å; A395-R432 HydrophobicContact CB-CG 4.1Å; A395-R432 WeakPolarHBondContact CB-O 3.34Å; E430-R432 HydrophobicContact CB-CB 4.32Å; E430-R432 PolarHBondContact O-N 2.95Å; E430-R432 IonicContact OE2-NE 1.79Å; R432-R435 PolarHBondContact O-N 3.27Å; R432-L436 WeakPolarHBondContact O-CB 3.41Å; R432-L436 PolarHBondContact O-N 2.91Å
433	Y	94	Very high	90.9	Very high	5 Å²	5	58 Å²	58	2%	0.02	26%	0.261	C	S	.	.	H	α-helix	trans	-68.4	-39.5	-179.8	-62.6	-81.5	0	0	0	112	C422 C423 T426 E430 S431 R435 L436 A437 L528	C422-Y433 HydrophobicContact CB-CD1 4.45Å; C422-Y433 HydrophobicContact CB-CE1 3.67Å; C423-Y433 HydrophobicContact CB-CD1 3.95Å; C423-Y433 HydrophobicContact CB-CD2 4.05Å; C423-Y433 HydrophobicContact CB-CG 3.65Å; T426-Y433 HydrophobicContact CG2-CE2 3.82Å; E430-Y433 HydrophobicContact CB-CD2 3.93Å; E430-Y433 HydrophobicContact CB-CE2 4Å; E430-Y433 HydrophobicContact CG-CE2 4.43Å; E430-Y433 PolarHBondContact O-N 3.46Å; E430-Y433 WeakPolarHBondContact OE2-CE2 3.49Å; S431-Y433 VanDerWaalsContact C-N 3.33Å; S431-Y433 PolarHBondContact O-N 2.94Å; Y433-R435 PolarHBondContact O-N 3.38Å; Y433-L436 PolarHBondContact O-N 3.47Å; Y433-A437 WeakPolarHBondContact O-CB 3.39Å; Y433-A437 PolarHBondContact O-N 3.17Å; Y433-L528 VanDerWaalsContact C-CD1 3.45Å
434	G	92.6	Very high	89.7	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-43.5	175.2	0	0	0	0	0	112.9	S431 Q438 H531	S431-G434 PolarHBondContact O-N 2.93Å; G434-Q438 VanDerWaalsContact O-CB 3.24Å; G434-Q438 WeakPolarHBondContact O-CB 3.32Å; G434-Q438 PolarHBondContact O-N 3.2Å; G434-H531 VanDerWaalsContact C-CE1 3.42Å; G434-H531 PolarHBondContact O-CE1 3.28Å; G434-H531 PolarHBondContact O-ND1 3.1Å
435	R	93	Very high	88.3	Confident	152 Å²	152	64.8 Å²	64.8	57%	0.574	30%	0.297	S	S	*	.	H	α-helix	trans	-68.2	-36.4	174.8	-68.8	179.2	-176.2	-175.3	2.3	112.9	A395 S431 R432 Y433 R439	A395-R435 HydrophobicContact CB-CB 3.76Å; S431-R435 WeakPolarHBondContact O-CG 3.36Å; S431-R435 PolarHBondContact O-N 3.05Å; S431-R435 VanDerWaalsContact O-N 3.09Å; R432-R435 PolarHBondContact O-N 3.27Å; Y433-R435 PolarHBondContact O-N 3.38Å; R435-R439 WeakPolarHBondContact O-CB 3.38Å; R435-R439 PolarHBondContact O-N 2.98Å
436	L	93.2	Very high	86.5	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.4	-52	177	174.3	58.4	0	0	0	111.2	L389 A395 A398 L402 V419 R432 Y433 Q438 R439 L440	L389-L436 HydrophobicContact CD2-CD2 3.37Å; A395-L436 HydrophobicContact CB-CB 4.12Å; A398-L436 HydrophobicContact CB-CD1 3.92Å; A398-L436 HydrophobicContact CB-CD2 3.94Å; L402-L436 HydrophobicContact CD1-CD1 4.27Å; L402-L436 HydrophobicContact CD1-CD2 4.47Å; V419-L436 HydrophobicContact CG1-CD2 4.24Å; V419-L436 HydrophobicContact CG2-CD2 4.01Å; R432-L436 WeakPolarHBondContact O-CB 3.41Å; R432-L436 PolarHBondContact O-N 2.91Å; Y433-L436 PolarHBondContact O-N 3.47Å; L436-Q438 VanDerWaalsContact C-N 3.32Å; L436-Q438 PolarHBondContact O-N 3.41Å; L436-R439 WeakPolarHBondContact O-CA 3.32Å; L436-R439 WeakPolarHBondContact O-CB 3.5Å; L436-R439 PolarHBondContact O-N 3.3Å; L436-L440 HydrophobicContact CD1-CD1 4.37Å; L436-L440 HydrophobicContact CD1-CG 4.32Å; L436-L440 HydrophobicContact CG-CD1 4.32Å; L436-L440 WeakPolarHBondContact O-CG 3.34Å; L436-L440 PolarHBondContact O-N 2.96Å
437	A	92.7	Very high	84	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61.7	-40.6	177.7	0	0	0	0	0	111.3	V419 Y433 R439 L440 C441 F503 L532	V419-A437 HydrophobicContact CG1-CB 4.4Å; Y433-A437 WeakPolarHBondContact O-CB 3.39Å; Y433-A437 PolarHBondContact O-N 3.17Å; A437-R439 VanDerWaalsContact C-N 3.29Å; A437-R439 PolarHBondContact O-N 3.44Å; A437-L440 PolarHBondContact O-N 3.24Å; A437-C441 PolarHBondContact O-N 3.01Å; A437-C441 PolarHBondContact O-SG 2.92Å; A437-C441 VanDerWaalsContact O-SG 3.35Å; A437-F503 HydrophobicContact CB-CE1 4.11Å; A437-F503 HydrophobicContact CB-CE2 4.1Å; A437-F503 HydrophobicContact CB-CZ 3.68Å; A437-L532 HydrophobicContact CB-CD1 3.87Å; A437-L532 HydrophobicContact CB-CD2 3.72Å; A437-L532 HydrophobicContact CB-CG 4.3Å
438	Q	91.3	Very high	81.4	Confident	38 Å²	38	59.8 Å²	59.8	18%	0.178	31%	0.311	C	S	.	.	H	α-helix	trans	-56.8	-40.4	170.6	173.5	-177.3	32.9	0	0	112.5	G434 L436 R442 L532 S535	G434-Q438 VanDerWaalsContact O-CB 3.24Å; G434-Q438 WeakPolarHBondContact O-CB 3.32Å; G434-Q438 PolarHBondContact O-N 3.2Å; L436-Q438 VanDerWaalsContact C-N 3.32Å; L436-Q438 PolarHBondContact O-N 3.41Å; Q438-R442 WeakPolarHBondContact O-CG 3.33Å; Q438-R442 PolarHBondContact O-N 3.29Å; Q438-L532 HydrophobicContact CB-CD2 4.31Å; Q438-S535 VanDerWaalsContact NE2-CB 3.34Å
439	R	89.1	Confident	78.4	Confident	102 Å²	102	62.2 Å²	62.2	39%	0.385	32%	0.323	S	S	.	.	H	α-helix	trans	-71	-37.3	178.6	-173.5	170.3	174.5	132.2	3.7	111.7	D396 R435 L436 A437 R442	D396-R439 IonicContact OD1-CZ 3.88Å; D396-R439 IonicContact OD1-NH1 2.86Å; D396-R439 PolarHBondContact OD1-NH1 2.64Å; R435-R439 WeakPolarHBondContact O-CB 3.38Å; R435-R439 PolarHBondContact O-N 2.98Å; L436-R439 WeakPolarHBondContact O-CA 3.32Å; L436-R439 WeakPolarHBondContact O-CB 3.5Å; L436-R439 PolarHBondContact O-N 3.3Å; A437-R439 VanDerWaalsContact C-N 3.29Å; A437-R439 PolarHBondContact O-N 3.44Å; R439-R442 PolarHBondContact O-N 3.33Å
440	L	88.8	Confident	75.6	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-65.2	-47.8	173	-68.2	172	0	0	0	111.4	L402 V419 L436 A437 R442 V443 Y499 F503	L402-L440 HydrophobicContact CD1-CD1 4.18Å; L402-L440 HydrophobicContact CD1-CD2 4.32Å; V419-L440 HydrophobicContact CG2-CD1 4.21Å; L436-L440 HydrophobicContact CD1-CD1 4.37Å; L436-L440 HydrophobicContact CD1-CG 4.32Å; L436-L440 HydrophobicContact CG-CD1 4.32Å; L436-L440 WeakPolarHBondContact O-CG 3.34Å; L436-L440 PolarHBondContact O-N 2.96Å; A437-L440 PolarHBondContact O-N 3.24Å; L440-R442 PolarHBondContact O-N 3.03Å; L440-V443 PolarHBondContact O-N 3.32Å; L440-Y499 HydrophobicContact CB-CD2 3.94Å; L440-Y499 HydrophobicContact CB-CE2 4.47Å; L440-Y499 HydrophobicContact CB-CG 3.99Å; L440-Y499 HydrophobicContact CD2-CD2 4.32Å; L440-Y499 HydrophobicContact CD2-CE2 4Å; L440-Y499 WeakPolarHBondContact O-CD2 3.33Å; L440-F503 HydrophobicContact CB-CE2 4.26Å; L440-F503 HydrophobicContact CD1-CZ 4.38Å
441	C	87	Confident	72.7	Confident	10 Å²	10	67.1 Å²	67.1	7%	0.068	37%	0.369	C	S	.	.	H	α-helix	trans	-55.7	-25.5	175.3	-72.4	0	0	0	0	114.2	A437 V500 F503 S537	A437-C441 PolarHBondContact O-N 3.01Å; A437-C441 PolarHBondContact O-SG 2.92Å; A437-C441 VanDerWaalsContact O-SG 3.35Å; C441-V500 HydrophobicContact CB-CG2 3.89Å; C441-V500 WeakPolarHBondContact O-CG2 3.49Å; C441-F503 VanDerWaalsContact SG-CD2 3.55Å; C441-S537 WeakPolarHBondContact CB-O 3.23Å; C441-S537 PolarHBondContact SG-O 3.02Å
442	R	84.3	Confident	69.8	Low	176 Å²	176	71.7 Å²	71.7	66%	0.664	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-8	177.9	-74	173.5	173.5	-173	-3.4	114.2	Q438 R439 L440	Q438-R442 WeakPolarHBondContact O-CG 3.33Å; Q438-R442 PolarHBondContact O-N 3.29Å; R439-R442 PolarHBondContact O-N 3.33Å; L440-R442 PolarHBondContact O-N 3.03Å
443	V	79	Confident	67	Low	34 Å²	34	76 Å²	76	21%	0.206	42%	0.419	C	S	.	.			trans	-89.1	118.4	172.7	179	0	0	0	0	108.8	L403 L440 F445	L403-V443 HydrophobicContact CD1-CG2 3.95Å; L403-V443 HydrophobicContact CD2-CG1 3.99Å; L403-V443 HydrophobicContact CD2-CG2 4.23Å; L440-V443 PolarHBondContact O-N 3.32Å; V443-F445 HydrophobicContact CG1-CD1 4.35Å; V443-F445 HydrophobicContact CG1-CE1 4.11Å; V443-F445 HydrophobicContact CG1-CE2 4.44Å; V443-F445 HydrophobicContact CG1-CZ 4.17Å
444	V	68.9	Low	63.9	Low	92 Å²	92	78.8 Å²	78.8	56%	0.558	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.5	165.6	-178	0	0	0	0	106.8	P496	V444-P496 HydrophobicContact CG1-CB 4.11Å
445	F	64.1	Low	61	Low	60 Å²	60	84 Å²	84	26%	0.263	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	127.6	171.4	-58.6	-80.1	0	0	0	109	L403 V443 S447 R497 Y499	L403-F445 HydrophobicContact CD2-CE1 4.09Å; L403-F445 HydrophobicContact CD2-CZ 3.98Å; V443-F445 HydrophobicContact CG1-CD1 4.35Å; V443-F445 HydrophobicContact CG1-CE1 4.11Å; V443-F445 HydrophobicContact CG1-CE2 4.44Å; V443-F445 HydrophobicContact CG1-CZ 4.17Å; F445-S447 PolarHBondContact O-N 3.29Å; F445-R497 HydrophobicContact CB-CB 4.23Å; F445-R497 HydrophobicContact CD2-CB 4.03Å; F445-R497 PolarHBondContact N-O 3.44Å; F445-Y499 HydrophobicContact CE2-CD2 4.25Å; F445-Y499 AromaticContact CE2-CE2 3.5Å; F445-Y499 HydrophobicContact CE2-CE2 3.5Å; F445-Y499 VanDerWaalsContact CE2-CE2 3.5Å; F445-Y499 AromaticContact CE2-CZ 3.95Å; F445-Y499 AromaticContact CZ-CE2 3.75Å; F445-Y499 HydrophobicContact CZ-CE2 3.75Å
446	P	53.6	Low	58.1	Low	116 Å²	116	82.5 Å²	82.5	75%	0.753	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-64.6	126.4	170.3	27.8	-32.6	0	0	0	109.1
447	S	38.8	Very low	55.2	Low	58 Å²	58	88.7 Å²	88.7	41%	0.406	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-74.2	155.9	164.5	45.6	0	0	0	0	110	F445	F445-S447 PolarHBondContact O-N 3.29Å
448	S	37.2	Very low	52.4	Low	115 Å²	115	94.5 Å²	94.5	80%	0.804	57%	0.567	S	S	*	*	S	Bend	trans	70.4	158.6	-171.5	79.3	0	0	0	0	116.4
449	T	30.6	Very low	49.6	Very low	124 Å²	124	97.8 Å²	97.8	76%	0.761	59%	0.594	S	S	*	*			trans	-87	140.2	-167.3	41.1	0	0	0	0	112.9	S451	T449-S451 PolarHBondContact O-N 3.38Å
450	P	32.4	Very low	46.9	Very low	126 Å²	126	99.5 Å²	99.5	82%	0.818	62%	0.615	S	S	*	*			trans	-73.5	95.8	165.4	30.4	-31.9	0	0	0	109.2	N452	P450-N452 PolarHBondContact O-N 3.02Å
451	S	31.5	Very low	44.3	Very low	102 Å²	102	105 Å²	105	71%	0.713	65%	0.654	S	S	*	*			trans	-60.8	117.4	170	47	0	0	0	0	109.4	T449 T453	T449-S451 PolarHBondContact O-N 3.38Å; S451-T453 PolarHBondContact O-N 3.43Å
452	N	30.9	Very low	41.8	Very low	160 Å²	160	109.2 Å²	109.2	86%	0.856	68%	0.683	S	S	*	*			trans	-76.6	86.4	-164.6	-176.6	18.1	0	0	0	112.7	P450	P450-N452 PolarHBondContact O-N 3.02Å
453	T	34.2	Very low	39.6	Very low	124 Å²	124	107.2 Å²	107.2	76%	0.761	69%	0.686	S	S	*	*			trans	-120.2	95.2	164.7	54.6	0	0	0	0	109.9	S451 S455	S451-T453 PolarHBondContact O-N 3.43Å; T453-S455 PolarHBondContact O-N 3.28Å
454	G	29.8	Very low	37.7	Very low	64 Å²	64	113.6 Å²	113.6	66%	0.66	72%	0.718	S	S	*	*			trans	-65.7	103.6	-178.3	0	0	0	0	0	112.9	T456	G454-T456 PolarHBondContact O-N 3.15Å
455	S	31.6	Very low	36	Very low	109 Å²	109	112.8 Å²	112.8	76%	0.762	73%	0.728	S	S	*	*			trans	-75.8	66.8	169.2	-163.9	0	0	0	0	110.9	T453 T457	T453-S455 PolarHBondContact O-N 3.28Å; S455-T457 PolarHBondContact O-N 2.68Å; S455-T457 VanDerWaalsContact O-N 3.11Å
456	T	31.6	Very low	34.6	Very low	121 Å²	121	116.4 Å²	116.4	74%	0.742	76%	0.758	S	S	*	*			trans	-78.1	91.5	171.2	-61.4	0	0	0	0	108.7	G454 V458	G454-T456 PolarHBondContact O-N 3.15Å; T456-V458 HydrophobicContact CG2-CG2 4.06Å; T456-V458 PolarHBondContact O-N 3.33Å
457	T	31.8	Very low	33.7	Very low	130 Å²	130	114.4 Å²	114.4	80%	0.798	76%	0.758	S	S	*	*			trans	-69.2	96.6	174.5	50	0	0	0	0	110.8	S455	S455-T457 PolarHBondContact O-N 2.68Å; S455-T457 VanDerWaalsContact O-N 3.11Å
458	V	34	Very low	33.5	Very low	122 Å²	122	116.8 Å²	116.8	74%	0.739	78%	0.775	S	S	*	*			trans	-119.3	128.9	164.9	174.5	0	0	0	0	109.3	T456	T456-V458 HydrophobicContact CG2-CG2 4.06Å; T456-V458 PolarHBondContact O-N 3.33Å
459	S	32.7	Very low	33.4	Very low	108 Å²	108	122.6 Å²	122.6	76%	0.755	78%	0.779	S	S	*	*			trans	-75.7	131.3	-176.5	50.9	0	0	0	0	113.1
460	V	32.4	Very low	33.6	Very low	137 Å²	137	127.9 Å²	127.9	83%	0.83	79%	0.787	S	S	*	*			trans	-4.6	121.9	150.6	-177.3	0	0	0	0	116.5
461	S	33.3	Very low	33.7	Very low	117 Å²	117	133.7 Å²	133.7	82%	0.818	79%	0.793	S	S	*	*			trans	-160.9	154.6	136.3	-81	0	0	0	0	111.2
462	S	35.7	Very low	33.9	Very low	98 Å²	98	134 Å²	134	69%	0.685	80%	0.795	S	S	*	*			trans	-63.4	154	-177.5	51.6	0	0	0	0	113
463	D	37.2	Very low	33.9	Very low	135 Å²	135	133.6 Å²	133.6	72%	0.722	79%	0.793	S	S	*	*				-162.9	156.6	66.2	-105.8	-44.7	0	0	0	118.6
464	L	39.8	Very low	33.8	Very low	167 Å²	167	137.1 Å²	137.1	87%	0.874	80%	0.797	S	S	*	*			trans	-4.6	140.5	157.3	-58.6	164	0	0	0	121.9
465	G	33.3	Very low	33.8	Very low	75 Å²	75	141.5 Å²	141.5	77%	0.773	80%	0.801	S	S	*	*			trans	144	102.7	146.6	0	0	0	0	0	118
466	P	35.4	Very low	33.9	Very low	137 Å²	137	143.1 Å²	143.1	89%	0.89	81%	0.806	S	S	*	*			trans	-103.5	139.4	-179.9	36.3	-31.2	0	0	0	115.6
467	G	34.7	Very low	33.7	Very low	73 Å²	73	142.7 Å²	142.7	75%	0.753	81%	0.807	S	S	*	*			trans	-176.5	107.5	166	0	0	0	0	0	110.9
468	S	33.9	Very low	33.8	Very low	109 Å²	109	145.8 Å²	145.8	76%	0.762	81%	0.81	S	S	*	*				70.6	90.6	69.1	-166.7	0	0	0	0	114.4
469	R	35.5	Very low	33.5	Very low	236 Å²	236	145.7 Å²	145.7	89%	0.891	81%	0.814	S	S	*	*				-179.8	151.1	111.4	-93.9	163.5	-158.1	-162.2	5.4	114
470	Y	33.8	Very low	33.7	Very low	236 Å²	236	146.4 Å²	146.4	93%	0.925	82%	0.815	S	S	*	*			trans	-58.8	147.6	169.8	-78.6	-111.5	0	0	0	113
471	R	35	Very low	33.6	Very low	248 Å²	248	144.9 Å²	144.9	94%	0.936	82%	0.816	S	S	*	*			trans	-145.3	160.9	131.8	-130.1	178.6	-177.8	-166.3	-1.2	111.3
472	S	36.1	Very low	33.7	Very low	108 Å²	108	148.6 Å²	148.6	76%	0.755	82%	0.818	S	S	*	*			trans	-102.7	164.4	-155.7	52.4	0	0	0	0	115.1
473	N	29.1	Very low	33.5	Very low	152 Å²	152	152.6 Å²	152.6	81%	0.813	83%	0.826	S	S	*	*			trans	-37.7	148.2	173.2	-52.1	5.3	0	0	0	115.4
474	K	34	Very low	33.3	Very low	197 Å²	197	155.2 Å²	155.2	86%	0.857	83%	0.833	S	S	*	*				-149.3	144.4	124.1	-150.2	175	-174.8	-175.6	0	110.3
475	E	28.3	Very low	33.2	Very low	157 Å²	157	153 Å²	153	73%	0.734	83%	0.827	S	S	*	*			trans	-75.3	146.3	179.7	-48.7	95.1	138.6	0	0	112.2
476	V	34.2	Very low	33.4	Very low	143 Å²	143	155.3 Å²	155.3	87%	0.867	83%	0.828	S	S	*	*			trans	-136.7	117.3	135.5	179.4	0	0	0	0	106.9
477	S	28.4	Very low	33.4	Very low	111 Å²	111	152.9 Å²	152.9	78%	0.776	82%	0.82	S	S	*	*			trans	-74.6	137.1	170.7	40.9	0	0	0	0	110.4
478	K	33	Very low	33.6	Very low	195 Å²	195	155 Å²	155	85%	0.848	82%	0.821	S	S	*	*			trans	-144.8	112.1	156.6	-158.4	167.9	-171.4	177.4	0	109.4
479	S	28.2	Very low	33.8	Very low	120 Å²	120	155.8 Å²	155.8	84%	0.839	82%	0.82	S	S	*	*			trans	-65.1	131.6	173.2	34.8	0	0	0	0	109.7
480	T	35.9	Very low	33.8	Very low	124 Å²	124	151.1 Å²	151.1	76%	0.761	82%	0.818	S	S	*	*			trans	-123.5	114.9	161.1	49.5	0	0	0	0	105.9	K482	T480-K482 PolarHBondContact O-N 3.36Å
481	A	31	Very low	34.1	Very low	105 Å²	105	147.5 Å²	147.5	87%	0.868	81%	0.81	S	S	*	*			trans	-56.3	131.2	178.9	0	0	0	0	0	109.6
482	K	34.5	Very low	34.1	Very low	195 Å²	195	144.5 Å²	144.5	85%	0.848	81%	0.806	S	S	*	*			trans	-90.2	106.3	162	-80.8	-174.2	172.9	-177.3	0	106.4	T480 E484	T480-K482 PolarHBondContact O-N 3.36Å; K482-E484 PolarHBondContact O-N 2.86Å
483	E	32.9	Very low	34.1	Very low	182 Å²	182	145.3 Å²	145.3	85%	0.85	81%	0.812	S	S	*	*			trans	-54.2	119.6	165.8	-170.8	172.6	-163.7	0	0	108.7	T485	E483-T485 PolarHBondContact O-N 3.28Å
484	E	32	Very low	34.7	Very low	189 Å²	189	140 Å²	140	88%	0.883	79%	0.793	S	S	*	*			trans	-79.2	89.2	-175.4	-67.8	-168.2	125.7	0	0	110.2	K482	K482-E484 PolarHBondContact O-N 2.86Å
485	T	37.8	Very low	35.5	Very low	122 Å²	122	136 Å²	136	75%	0.748	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-59.1	125.4	165.3	53.1	0	0	0	0	108.9	E483	E483-T485 PolarHBondContact O-N 3.28Å
486	P	37.1	Very low	36.7	Very low	122 Å²	122	132.2 Å²	132.2	79%	0.792	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-58.6	144.5	-178.9	23.8	-33.8	0	0	0	110.7
487	A	36.9	Very low	38.1	Very low	87 Å²	87	130.4 Å²	130.4	72%	0.719	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-56.3	135.2	-176.1	0	0	0	0	0	110.8	V489	A487-V489 PolarHBondContact O-N 2.91Å; A487-V489 VanDerWaalsContact O-N 3.13Å
488	P	37.4	Very low	40.3	Very low	117 Å²	117	126.8 Å²	126.8	76%	0.76	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-64.1	119.6	177.1	27.1	-33.1	0	0	0	108.8	V490	P488-V490 PolarHBondContact O-N 3.37Å
489	V	39.5	Very low	42.8	Very low	125 Å²	125	117.5 Å²	117.5	76%	0.758	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-52.5	124.3	175.3	-176.9	0	0	0	0	108.4	A487 E491	A487-V489 PolarHBondContact O-N 2.91Å; A487-V489 VanDerWaalsContact O-N 3.13Å; V489-E491 HydrophobicContact CB-CG 4.36Å; V489-E491 HydrophobicContact CG1-CG 3.8Å; V489-E491 PolarHBondContact O-N 3.22Å
490	V	34.9	Very low	45.7	Very low	139 Å²	139	113.5 Å²	113.5	84%	0.842	66%	0.658	S	S	*	*			trans	-79.5	66.7	179.6	-172.4	0	0	0	0	108.5	P488	P488-V490 PolarHBondContact O-N 3.37Å
491	E	39.2	Very low	48.2	Very low	160 Å²	160	110 Å²	110	75%	0.748	64%	0.642	S	S	*	*			trans	-64.7	143.9	172.5	-68.4	-161.4	144.6	0	0	110.5	V489	V489-E491 HydrophobicContact CB-CG 4.36Å; V489-E491 HydrophobicContact CG1-CG 3.8Å; V489-E491 PolarHBondContact O-N 3.22Å
492	E	36.4	Very low	51.1	Low	184 Å²	184	107.3 Å²	107.3	86%	0.86	61%	0.612	S	S	*	*			trans	-67.7	166.5	-158.2	-58.2	-176.2	119.8	0	0	113.9	G494	E492-G494 PolarHBondContact O-N 3.36Å
493	S	35.8	Very low	53.8	Low	125 Å²	125	98 Å²	98	87%	0.874	57%	0.571	S	S	*	*			trans	-69.2	70.8	175.9	52.2	0	0	0	0	112.9
494	G	41.5	Very low	56.6	Low	40 Å²	40	92 Å²	92	41%	0.412	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-62.9	166.3	173.6	0	0	0	0	0	113.5	E492	E492-G494 PolarHBondContact O-N 3.36Å
495	P	50.1	Low	59.5	Low	114 Å²	114	87.4 Å²	87.4	74%	0.74	52%	0.52	S	S	*	.	S	Bend	trans	-58.3	152.5	179.9	25	-34.4	0	0	0	112.1	R497	P495-R497 PolarHBondContact O-N 3.03Å
496	P	54.4	Low	62.1	Low	78 Å²	78	81.6 Å²	81.6	51%	0.506	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-58	126.7	-177.1	24.6	-34.6	0	0	0	110.7	V444 S498	V444-P496 HydrophobicContact CG1-CB 4.11Å; P496-S498 PolarHBondContact O-N 3.07Å
497	R	62.7	Low	64.8	Low	105 Å²	105	76 Å²	76	40%	0.396	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	131.8	-169.7	-49.5	-172.4	-164.1	160.1	4.7	110.5	E412 F445 P495	E412-R497 WeakPolarHBondContact OE1-CD 3.41Å; E412-R497 IonicContact OE1-NH1 2.7Å; F445-R497 HydrophobicContact CB-CB 4.23Å; F445-R497 HydrophobicContact CD2-CB 4.03Å; F445-R497 PolarHBondContact N-O 3.44Å; P495-R497 PolarHBondContact O-N 3.03Å
498	S	75	Confident	67.4	Low	34 Å²	34	74.4 Å²	74.4	24%	0.238	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	135.9	-178.6	61.2	0	0	0	0	110.6	P496 V500	P496-S498 PolarHBondContact O-N 3.07Å; S498-V500 PolarHBondContact O-N 3.13Å
499	Y	85.7	Confident	70.1	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-64.6	-18	175.1	-70.7	-78.2	0	0	0	113	I407 E412 V415 L440 F445 Q502 F503	I407-Y499 WeakPolarHBondContact CD1-OH 3.38Å; E412-Y499 HydrophobicContact CB-CD1 4.36Å; E412-Y499 HydrophobicContact CB-CE1 3.91Å; E412-Y499 HydrophobicContact CG-CE1 4.19Å; V415-Y499 HydrophobicContact CB-CE1 4.27Å; V415-Y499 HydrophobicContact CG1-CE1 4.15Å; L440-Y499 HydrophobicContact CB-CD2 3.94Å; L440-Y499 HydrophobicContact CB-CE2 4.47Å; L440-Y499 HydrophobicContact CB-CG 3.99Å; L440-Y499 HydrophobicContact CD2-CD2 4.32Å; L440-Y499 HydrophobicContact CD2-CE2 4Å; L440-Y499 WeakPolarHBondContact O-CD2 3.33Å; F445-Y499 HydrophobicContact CE2-CD2 4.25Å; F445-Y499 AromaticContact CE2-CE2 3.5Å; F445-Y499 HydrophobicContact CE2-CE2 3.5Å; F445-Y499 VanDerWaalsContact CE2-CE2 3.5Å; F445-Y499 AromaticContact CE2-CZ 3.95Å; F445-Y499 AromaticContact CZ-CE2 3.75Å; F445-Y499 HydrophobicContact CZ-CE2 3.75Å; Y499-Q502 PolarHBondContact O-N 3.29Å; Y499-F503 VanDerWaalsContact O-CD2 3.23Å; Y499-F503 WeakPolarHBondContact O-CD2 3.42Å; Y499-F503 PolarHBondContact O-N 3.06Å
500	V	89.4	Confident	72.6	Confident	36 Å²	36	67.2 Å²	67.2	22%	0.218	38%	0.379	C	S	.	.	H	α-helix	trans	-55	-55.1	178.6	-176.7	0	0	0	0	110.8	C441 S498 Q502 F503 E504	C441-V500 HydrophobicContact CB-CG2 3.89Å; C441-V500 WeakPolarHBondContact O-CG2 3.49Å; S498-V500 PolarHBondContact O-N 3.13Å; V500-Q502 PolarHBondContact O-N 2.85Å; V500-F503 PolarHBondContact O-N 3.12Å; V500-E504 HydrophobicContact CG1-CG 4.43Å; V500-E504 WeakPolarHBondContact CG1-OE1 3.18Å; V500-E504 WeakPolarHBondContact O-CG 3.33Å; V500-E504 PolarHBondContact O-N 2.95Å
501	A	89.1	Confident	75.3	Confident	52 Å²	52	62.5 Å²	62.5	43%	0.43	35%	0.347	S	S	.	.	H	α-helix	trans	-60.9	-33.1	-179.9	0	0	0	0	0	112.7	K505	A501-K505 WeakPolarHBondContact O-CB 3.39Å; A501-K505 PolarHBondContact O-N 2.85Å
502	Q	90.1	Very high	77.8	Confident	47 Å²	47	58.6 Å²	58.6	22%	0.22	34%	0.337	C	S	.	.	H	α-helix	trans	-70.9	-44	176.6	-54.2	-59.1	-9.7	0	0	111.7	E412 A416 Y499 V500 E504 K505 I506	E412-Q502 HydrophobicContact CB-CG 4.44Å; A416-Q502 HydrophobicContact CB-CB 4.18Å; Y499-Q502 PolarHBondContact O-N 3.29Å; V500-Q502 PolarHBondContact O-N 2.85Å; Q502-E504 VanDerWaalsContact C-N 3.32Å; Q502-E504 PolarHBondContact O-N 3.27Å; Q502-K505 PolarHBondContact O-N 3.27Å; Q502-I506 WeakPolarHBondContact O-CB 3.39Å; Q502-I506 WeakPolarHBondContact O-CD1 3.49Å; Q502-I506 WeakPolarHBondContact O-CG1 3.44Å; Q502-I506 PolarHBondContact O-N 3.13Å
503	F	92.7	Very high	80.4	Confident	1 Å²	1	53 Å²	53	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-67.5	-31.3	174.9	-76.3	-66.2	0	0	0	113	A416 A437 L440 C441 Y499 V500 F507 I538	A416-F503 HydrophobicContact CB-CD1 4.07Å; A416-F503 HydrophobicContact CB-CD2 4.42Å; A416-F503 HydrophobicContact CB-CE1 3.78Å; A416-F503 HydrophobicContact CB-CE2 4.16Å; A416-F503 HydrophobicContact CB-CG 4.38Å; A416-F503 HydrophobicContact CB-CZ 3.82Å; A437-F503 HydrophobicContact CB-CE1 4.11Å; A437-F503 HydrophobicContact CB-CE2 4.1Å; A437-F503 HydrophobicContact CB-CZ 3.68Å; L440-F503 HydrophobicContact CB-CE2 4.26Å; L440-F503 HydrophobicContact CD1-CZ 4.38Å; C441-F503 VanDerWaalsContact SG-CD2 3.55Å; Y499-F503 VanDerWaalsContact O-CD2 3.23Å; Y499-F503 WeakPolarHBondContact O-CD2 3.42Å; Y499-F503 PolarHBondContact O-N 3.06Å; V500-F503 PolarHBondContact O-N 3.12Å; F503-F507 PolarHBondContact O-N 2.67Å; F503-I538 HydrophobicContact CB-CD1 3.69Å; F503-I538 HydrophobicContact CB-CG1 4.23Å
504	E	91.6	Very high	83.1	Confident	56 Å²	56	47.3 Å²	47.3	26%	0.262	27%	0.272	S	S	.	.	H	α-helix	trans	-66.4	-46.7	173	-73.5	177.8	172	0	0	111.7	V500 Q502 F507 S508 I538 S539 V542	V500-E504 HydrophobicContact CG1-CG 4.43Å; V500-E504 WeakPolarHBondContact CG1-OE1 3.18Å; V500-E504 WeakPolarHBondContact O-CG 3.33Å; V500-E504 PolarHBondContact O-N 2.95Å; Q502-E504 VanDerWaalsContact C-N 3.32Å; Q502-E504 PolarHBondContact O-N 3.27Å; E504-F507 PolarHBondContact O-N 2.7Å; E504-S508 PolarHBondContact O-N 3.31Å; E504-I538 HydrophobicContact CG-CG2 3.87Å; E504-S539 WeakPolarHBondContact OE1-CA 3.49Å; E504-S539 WeakPolarHBondContact OE1-CB 3.48Å; E504-S539 PolarHBondContact OE1-N 2.97Å; E504-V542 HydrophobicContact CB-CG1 3.93Å; E504-V542 HydrophobicContact CG-CG1 3.63Å
505	K	91.9	Very high	85.3	Confident	91 Å²	91	50.4 Å²	50.4	40%	0.396	28%	0.276	S	S	.	.	H	α-helix	trans	-56.2	-52.7	171.5	-175.7	-168.5	160.7	-165.6	0	111	Y413 A501 Q502 F507 S508 E509	Y413-K505 HydrophobicContact CD2-CD 4.02Å; Y413-K505 HydrophobicContact CE2-CD 3.92Å; A501-K505 WeakPolarHBondContact O-CB 3.39Å; A501-K505 PolarHBondContact O-N 2.85Å; Q502-K505 PolarHBondContact O-N 3.27Å; K505-F507 VanDerWaalsContact C-N 3.29Å; K505-F507 PolarHBondContact O-N 3.28Å; K505-S508 WeakPolarHBondContact O-CB 3.49Å; K505-S508 PolarHBondContact O-N 3.33Å; K505-S508 PolarHBondContact O-OG 3.07Å; K505-E509 VanDerWaalsContact CE-CD 3.48Å; K505-E509 WeakPolarHBondContact CE-OE1 3.47Å; K505-E509 WeakPolarHBondContact CE-OE2 2.94Å; K505-E509 IonicContact NZ-OE1 3.37Å; K505-E509 PolarHBondContact O-N 3.49Å; K505-E509 VanDerWaalsContact O-N 3.15Å
506	I	92.8	Very high	87.3	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-59.1	-37.2	-179.6	-70.5	163.9	0	0	0	111.8	Y413 A416 L420 Q502 S508 E509 Q510 F529	Y413-I506 HydrophobicContact CD2-CD1 4.14Å; Y413-I506 HydrophobicContact CD2-CG1 4.01Å; Y413-I506 HydrophobicContact CE2-CD1 4.07Å; Y413-I506 HydrophobicContact CE2-CG1 3.51Å; A416-I506 HydrophobicContact CB-CD1 3.48Å; A416-I506 VanDerWaalsContact CB-CD1 3.48Å; L420-I506 HydrophobicContact CD2-CG2 3.54Å; Q502-I506 WeakPolarHBondContact O-CB 3.39Å; Q502-I506 WeakPolarHBondContact O-CD1 3.49Å; Q502-I506 WeakPolarHBondContact O-CG1 3.44Å; Q502-I506 PolarHBondContact O-N 3.13Å; I506-S508 VanDerWaalsContact C-N 3.33Å; I506-S508 PolarHBondContact O-N 3.46Å; I506-E509 PolarHBondContact O-N 3.5Å; I506-Q510 HydrophobicContact CG2-CG 3.86Å; I506-Q510 WeakPolarHBondContact O-CB 3.32Å; I506-Q510 WeakPolarHBondContact O-CG 3.18Å; I506-Q510 PolarHBondContact O-N 3.03Å; I506-F529 HydrophobicContact CG2-CZ 4.44Å
507	F	94.2	Very high	88.9	Confident	3 Å²	3	52.2 Å²	52.2	1%	0.013	26%	0.26	C	S	.	.	H	α-helix	trans	-57.9	-45.1	174.4	-179.3	-89.5	0	0	0	111.8	F503 E504 K505 Y511 F529 V542 V546 F560	F503-F507 PolarHBondContact O-N 2.67Å; E504-F507 PolarHBondContact O-N 2.7Å; K505-F507 VanDerWaalsContact C-N 3.29Å; K505-F507 PolarHBondContact O-N 3.28Å; F507-Y511 WeakPolarHBondContact O-CB 3.22Å; F507-Y511 PolarHBondContact O-N 3.47Å; F507-F529 HydrophobicContact CB-CD1 4.44Å; F507-F529 HydrophobicContact CB-CE1 3.89Å; F507-F529 HydrophobicContact CB-CZ 4.01Å; F507-F529 HydrophobicContact CD2-CB 4.14Å; F507-F529 AromaticContact CD2-CD1 3.66Å; F507-F529 HydrophobicContact CD2-CD1 3.66Å; F507-F529 AromaticContact CD2-CD2 3.75Å; F507-F529 HydrophobicContact CD2-CD2 3.75Å; F507-F529 AromaticContact CD2-CE1 3.88Å; F507-F529 HydrophobicContact CD2-CE1 3.88Å; F507-F529 AromaticContact CD2-CE2 3.95Å; F507-F529 HydrophobicContact CD2-CE2 3.95Å; F507-F529 AromaticContact CD2-CG 3.59Å; F507-F529 HydrophobicContact CD2-CG 3.59Å; F507-F529 HydrophobicContact CD2-CZ 4.02Å; F507-F529 HydrophobicContact CE2-CB 4.14Å; F507-F529 HydrophobicContact CE2-CD1 4.49Å; F507-F529 HydrophobicContact CE2-CD2 4.2Å; F507-F529 HydrophobicContact CE2-CG 4.05Å; F507-F529 HydrophobicContact CG-CE1 4.4Å; F507-V542 HydrophobicContact CD1-CB 3.63Å; F507-V542 HydrophobicContact CD1-CG2 3.91Å; F507-V542 HydrophobicContact CE1-CB 3.99Å; F507-V542 HydrophobicContact CE1-CG2 3.93Å; F507-V542 WeakPolarHBondContact CE1-O 3.17Å; F507-V542 HydrophobicContact CG-CB 4.14Å; F507-V542 HydrophobicContact CG-CG2 4.21Å; F507-V542 HydrophobicContact CZ-CG2 4.25Å; F507-V546 HydrophobicContact CE1-CG2 4.19Å; F507-V546 HydrophobicContact CZ-CG2 4.42Å; F507-F560 HydrophobicContact CE2-CE1 4.34Å; F507-F560 HydrophobicContact CE2-CZ 4.1Å; F507-F560 HydrophobicContact CZ-CE1 4.43Å
508	S	92	Very high	90.3	Very high	54 Å²	54	53.2 Å²	53.2	38%	0.378	27%	0.269	S	S	.	.	H	α-helix	trans	-65.8	-43.6	-179.7	75.7	0	0	0	0	112.7	E504 K505 I506 Y511 S512	E504-S508 PolarHBondContact O-N 3.31Å; K505-S508 WeakPolarHBondContact O-CB 3.49Å; K505-S508 PolarHBondContact O-N 3.33Å; K505-S508 PolarHBondContact O-OG 3.07Å; I506-S508 VanDerWaalsContact C-N 3.33Å; I506-S508 PolarHBondContact O-N 3.46Å; S508-Y511 PolarHBondContact O-N 2.94Å; S508-S512 PolarHBondContact O-N 3.25Å
509	E	92.8	Very high	91	Very high	60 Å²	60	55.6 Å²	55.6	28%	0.28	28%	0.282	S	S	.	.	H	α-helix	trans	-65.6	-47	179.3	-68.9	166.9	138	0	0	110.5	Y413 K505 I506 Y511 S512 I513	Y413-E509 WeakPolarHBondContact CE2-OE2 3.42Å; Y413-E509 PolarHBondContact OH-OE2 3.36Å; K505-E509 VanDerWaalsContact CE-CD 3.48Å; K505-E509 WeakPolarHBondContact CE-OE1 3.47Å; K505-E509 WeakPolarHBondContact CE-OE2 2.94Å; K505-E509 IonicContact NZ-OE1 3.37Å; K505-E509 PolarHBondContact O-N 3.49Å; K505-E509 VanDerWaalsContact O-N 3.15Å; I506-E509 PolarHBondContact O-N 3.5Å; E509-Y511 PolarHBondContact O-N 3.44Å; E509-S512 WeakPolarHBondContact O-CB 3.35Å; E509-S512 PolarHBondContact O-N 3.01Å; E509-S512 VanDerWaalsContact O-N 3.16Å; E509-S512 PolarHBondContact O-OG 3.22Å; E509-I513 WeakPolarHBondContact O-CG1 3.31Å; E509-I513 PolarHBondContact O-N 3.46Å; E509-I513 VanDerWaalsContact O-N 3.15Å
510	Q	92.3	Very high	91.2	Very high	31 Å²	31	57 Å²	57	15%	0.145	29%	0.294	C	S	.	.	H	α-helix	trans	-63.1	-40	177.1	-69	-78	-19.1	0	0	111.8	L420 I506 S512 I513 I514	L420-Q510 VanDerWaalsContact CD2-CD 3.48Å; L420-Q510 HydrophobicContact CD2-CG 3.5Å; I506-Q510 HydrophobicContact CG2-CG 3.86Å; I506-Q510 WeakPolarHBondContact O-CB 3.32Å; I506-Q510 WeakPolarHBondContact O-CG 3.18Å; I506-Q510 PolarHBondContact O-N 3.03Å; Q510-S512 PolarHBondContact O-N 3.34Å; Q510-I513 CarbonylContact O-C 3.55Å; Q510-I513 PolarHBondContact O-N 3.03Å; Q510-I514 WeakPolarHBondContact O-CG1 3.44Å; Q510-I514 PolarHBondContact O-N 3.35Å
511	Y	91.7	Very high	91.4	Very high	40 Å²	40	58.5 Å²	58.5	16%	0.157	30%	0.298	C	S	.	.	H	α-helix	trans	-59.6	-35.4	176	-173.2	-100.7	0	0	0	112.2	F507 S508 E509 I514 V546 F560 L561	F507-Y511 WeakPolarHBondContact O-CB 3.22Å; F507-Y511 PolarHBondContact O-N 3.47Å; S508-Y511 PolarHBondContact O-N 2.94Å; E509-Y511 PolarHBondContact O-N 3.44Å; Y511-I514 HydrophobicContact CD2-CD1 3.48Å; Y511-I514 VanDerWaalsContact CD2-CD1 3.48Å; Y511-I514 HydrophobicContact CE2-CD1 4.04Å; Y511-I514 HydrophobicContact CG-CD1 4.2Å; Y511-V546 HydrophobicContact CD2-CG2 4.2Å; Y511-V546 HydrophobicContact CE1-CG2 4.36Å; Y511-V546 HydrophobicContact CE2-CG1 4.27Å; Y511-V546 HydrophobicContact CE2-CG2 4.02Å; Y511-V546 HydrophobicContact CG-CG2 4.49Å; Y511-F560 HydrophobicContact CD2-CD1 4.16Å; Y511-F560 HydrophobicContact CD2-CE1 4.1Å; Y511-F560 HydrophobicContact CE2-CD1 4.31Å; Y511-L561 HydrophobicContact CE2-CD2 4.27Å; Y511-L561 HydrophobicContact CE2-CG 4.44Å
512	S	91.6	Very high	91.6	Very high	78 Å²	78	56.1 Å²	56.1	55%	0.545	28%	0.278	S	S	.	.	H	α-helix	trans	-69.4	-35.8	173.3	81.8	0	0	0	0	113	S508 E509 Q510 H515	S508-S512 PolarHBondContact O-N 3.25Å; E509-S512 WeakPolarHBondContact O-CB 3.35Å; E509-S512 PolarHBondContact O-N 3.01Å; E509-S512 VanDerWaalsContact O-N 3.16Å; E509-S512 PolarHBondContact O-OG 3.22Å; Q510-S512 PolarHBondContact O-N 3.34Å; S512-H515 PolarHBondContact O-CE1 2.9Å; S512-H515 PolarHBondContact O-ND1 2.92Å
513	I	91.7	Very high	91.8	Very high	67 Å²	67	57.5 Å²	57.5	34%	0.344	28%	0.281	S	S	.	.	H	α-helix	trans	-87.4	-11.4	-175	-62.8	167.9	0	0	0	113	E509 Q510 H515 R516 L517	E509-I513 WeakPolarHBondContact O-CG1 3.31Å; E509-I513 PolarHBondContact O-N 3.46Å; E509-I513 VanDerWaalsContact O-N 3.15Å; Q510-I513 CarbonylContact O-C 3.55Å; Q510-I513 PolarHBondContact O-N 3.03Å; I513-H515 PolarHBondContact O-N 2.95Å; I513-R516 HydrophobicContact CG2-CB 4.31Å; I513-R516 HydrophobicContact CG2-CG 4.37Å; I513-R516 PolarHBondContact O-N 3.43Å; I513-L517 HydrophobicContact CG2-CD1 3.96Å
514	I	91.2	Very high	91.8	Very high	6 Å²	6	57.4 Å²	57.4	3%	0.031	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-39.2	-35.4	177.7	-89.3	172.1	0	0	0	114.8	Q510 Y511 R516 L517 L522 S556 F560	Q510-I514 WeakPolarHBondContact O-CG1 3.44Å; Q510-I514 PolarHBondContact O-N 3.35Å; Y511-I514 HydrophobicContact CD2-CD1 3.48Å; Y511-I514 VanDerWaalsContact CD2-CD1 3.48Å; Y511-I514 HydrophobicContact CE2-CD1 4.04Å; Y511-I514 HydrophobicContact CG-CD1 4.2Å; I514-R516 PolarHBondContact O-N 3.22Å; I514-L517 PolarHBondContact O-N 2.9Å; I514-L522 HydrophobicContact CB-CD2 4.15Å; I514-L522 HydrophobicContact CG1-CD2 3.81Å; I514-L522 HydrophobicContact CG2-CD2 3.97Å; I514-S556 VanDerWaalsContact CG2-C 3.44Å; I514-S556 VanDerWaalsContact CG2-CB 3.47Å; I514-S556 WeakPolarHBondContact O-CB 3.48Å; I514-F560 HydrophobicContact CD1-CB 3.76Å; I514-F560 HydrophobicContact CD1-CD1 3.42Å; I514-F560 VanDerWaalsContact CD1-CD1 3.42Å; I514-F560 HydrophobicContact CD1-CD2 3.96Å; I514-F560 HydrophobicContact CD1-CE1 3.95Å; I514-F560 HydrophobicContact CD1-CE2 4.43Å; I514-F560 HydrophobicContact CD1-CG 3.42Å; I514-F560 VanDerWaalsContact CD1-CG 3.42Å; I514-F560 HydrophobicContact CD1-CZ 4.43Å; I514-F560 HydrophobicContact CG1-CG 4.35Å
515	H	89.6	Confident	92	Very high	104 Å²	104	55 Å²	55	48%	0.481	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-62.3	-19.9	179.3	67.1	-88.9	0	0	0	114.1	S512 I513	S512-H515 PolarHBondContact O-CE1 2.9Å; S512-H515 PolarHBondContact O-ND1 2.92Å; I513-H515 PolarHBondContact O-N 2.95Å
516	R	90.4	Very high	92.1	Very high	199 Å²	199	50.6 Å²	50.6	75%	0.751	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-94	-12.5	177.5	-52.8	-170.4	-177.8	-178.8	-3.1	114.1	I513 I514	I513-R516 HydrophobicContact CG2-CB 4.31Å; I513-R516 HydrophobicContact CG2-CG 4.37Å; I513-R516 PolarHBondContact O-N 3.43Å; I514-R516 PolarHBondContact O-N 3.22Å
517	L	89.2	Confident	92.2	Very high	32 Å²	32	52.3 Å²	52.3	17%	0.168	26%	0.258	C	S	.	.	S	Bend	trans	-89.6	137.7	-175.2	-82.6	72	0	0	0	111.6	I513 I514 K521 L522 V525	I513-L517 HydrophobicContact CG2-CD1 3.96Å; I514-L517 PolarHBondContact O-N 2.9Å; L517-K521 HydrophobicContact CD2-CB 4.45Å; L517-L522 HydrophobicContact CB-CD2 3.61Å; L517-L522 HydrophobicContact CB-CG 3.8Å; L517-L522 HydrophobicContact CD2-CD2 4.22Å; L517-L522 WeakPolarHBondContact O-CD1 3.35Å; L517-V525 HydrophobicContact CD2-CG2 4.35Å
518	E	90.8	Very high	92.2	Very high	125 Å²	125	52.2 Å²	52.2	58%	0.584	26%	0.257	S	S	*	.			trans	-66.2	149.6	173.4	-162.6	-164.4	159.4	0	0	111.5	A520 K521 L522	E518-A520 PolarHBondContact O-N 3.42Å; E518-A520 VanDerWaalsContact O-N 3.13Å; E518-K521 HydrophobicContact CB-CG 4.34Å; E518-K521 WeakPolarHBondContact O-CA 3.44Å; E518-K521 WeakPolarHBondContact O-CB 3.4Å; E518-K521 PolarHBondContact O-N 2.99Å; E518-L522 PolarHBondContact O-N 2.95Å
519	T	90.1	Very high	92.3	Very high	84 Å²	84	49.8 Å²	49.8	52%	0.515	24%	0.24	S	C	.	.	H	α-helix	trans	-54.2	-34.7	-178.1	61.1	0	0	0	0	114.1	R523 I559	T519-R523 PolarHBondContact O-N 3.35Å; T519-I559 HydrophobicContact CG2-CD1 4.31Å
520	A	90.8	Very high	92.4	Very high	31 Å²	31	46.9 Å²	46.9	26%	0.256	23%	0.227	S	C	.	.	H	α-helix	trans	-65.1	-42.3	175.1	0	0	0	0	0	112.4	E518 N524	E518-A520 PolarHBondContact O-N 3.42Å; E518-A520 VanDerWaalsContact O-N 3.13Å; A520-N524 PolarHBondContact O-N 3.45Å; A520-N524 PolarHBondContact O-OD1 3.07Å
521	K	93.2	Very high	92.5	Very high	67 Å²	67	46.5 Å²	46.5	29%	0.291	23%	0.225	S	C	.	.	H	α-helix	trans	-69.4	-46.4	177.1	-55.9	-164.1	173	-169	0	111.1	A424 L517 E518 R523 N524 V525	A424-K521 WeakPolarHBondContact O-CG 3.35Å; L517-K521 HydrophobicContact CD2-CB 4.45Å; E518-K521 HydrophobicContact CB-CG 4.34Å; E518-K521 WeakPolarHBondContact O-CA 3.44Å; E518-K521 WeakPolarHBondContact O-CB 3.4Å; E518-K521 PolarHBondContact O-N 2.99Å; K521-R523 VanDerWaalsContact C-N 3.25Å; K521-R523 PolarHBondContact O-N 2.98Å; K521-N524 PolarHBondContact O-N 3.46Å; K521-V525 WeakPolarHBondContact O-CG2 3.22Å; K521-V525 PolarHBondContact O-N 3.43Å
522	L	93	Very high	92.6	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-53	-41.9	177	-72.9	175.8	0	0	0	112.4	I514 L517 E518 A526	I514-L522 HydrophobicContact CB-CD2 4.15Å; I514-L522 HydrophobicContact CG1-CD2 3.81Å; I514-L522 HydrophobicContact CG2-CD2 3.97Å; L517-L522 HydrophobicContact CB-CD2 3.61Å; L517-L522 HydrophobicContact CB-CG 3.8Å; L517-L522 HydrophobicContact CD2-CD2 4.22Å; L517-L522 WeakPolarHBondContact O-CD1 3.35Å; E518-L522 PolarHBondContact O-N 2.95Å; L522-A526 VanDerWaalsContact O-CB 3.25Å; L522-A526 WeakPolarHBondContact O-CB 3.19Å; L522-A526 PolarHBondContact O-N 3.25Å
523	R	93.5	Very high	92.7	Very high	76 Å²	76	41 Å²	41	29%	0.287	19%	0.192	S	C	.	.	H	α-helix	trans	-63	-46.7	175.5	179.3	-166	63.8	-142.1	-9.8	112.1	R427 T519 K521 A526 F527	R427-R523 PolarHBondContact O-NH2 3.4Å; T519-R523 PolarHBondContact O-N 3.35Å; K521-R523 VanDerWaalsContact C-N 3.25Å; K521-R523 PolarHBondContact O-N 2.98Å; R523-A526 PolarHBondContact O-N 3.14Å; R523-F527 HydrophobicContact CG-CD2 4.16Å; R523-F527 HydrophobicContact CG-CE1 4.17Å; R523-F527 HydrophobicContact CG-CE2 3.62Å; R523-F527 HydrophobicContact CG-CZ 3.63Å; R523-F527 WeakPolarHBondContact O-CD1 3.48Å; R523-F527 VanDerWaalsContact O-CG 3.25Å; R523-F527 WeakPolarHBondContact O-CG 3.44Å; R523-F527 PolarHBondContact O-N 3.25Å
524	N	94.4	Very high	92.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.2	-40.7	-179.5	-63.4	2.4	0	0	0	111.8	C423 T426 Y429 A520 K521 F527 L528	C423-N524 WeakPolarHBondContact O-CB 3.34Å; C423-N524 PolarHBondContact O-ND2 2.88Å; T426-N524 PolarHBondContact O-ND2 2.99Å; T426-N524 PolarHBondContact OG1-ND2 3.16Å; T426-N524 VanDerWaalsContact OG1-ND2 3.09Å; Y429-N524 WeakPolarHBondContact CD2-O 3.37Å; Y429-N524 PolarHBondContact N-OD1 3.22Å; A520-N524 PolarHBondContact O-N 3.45Å; A520-N524 PolarHBondContact O-OD1 3.07Å; K521-N524 PolarHBondContact O-N 3.46Å; N524-F527 PolarHBondContact O-N 3.18Å; N524-L528 PolarHBondContact O-N 2.83Å
525	V	94.5	Very high	92.7	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.024	20%	0.202	C	C	.	.	H	α-helix	trans	-65	-42.1	176	174.2	0	0	0	0	111	L420 A424 L517 K521 F527 L528 F529 F560	L420-V525 HydrophobicContact CD1-CB 4.39Å; L420-V525 HydrophobicContact CD1-CG1 3.91Å; L420-V525 HydrophobicContact CD1-CG2 3.98Å; A424-V525 HydrophobicContact CB-CG2 3.64Å; L517-V525 HydrophobicContact CD2-CG2 4.35Å; K521-V525 WeakPolarHBondContact O-CG2 3.22Å; K521-V525 PolarHBondContact O-N 3.43Å; V525-F527 VanDerWaalsContact C-N 3.34Å; V525-F527 PolarHBondContact O-N 3.14Å; V525-L528 PolarHBondContact O-N 2.99Å; V525-F529 HydrophobicContact CG1-CD2 3.8Å; V525-F529 HydrophobicContact CG1-CE2 3.63Å; V525-F529 WeakPolarHBondContact O-CD2 3.37Å; V525-F529 PolarHBondContact O-N 3.43Å; V525-F529 VanDerWaalsContact O-N 3.14Å; V525-F560 HydrophobicContact CG1-CE2 4.09Å
526	A	94.4	Very high	92.7	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.2	-41.5	173.9	0	0	0	0	0	112.4	L522 R523 A530 F560 H563 L564	L522-A526 VanDerWaalsContact O-CB 3.25Å; L522-A526 WeakPolarHBondContact O-CB 3.19Å; L522-A526 PolarHBondContact O-N 3.25Å; R523-A526 PolarHBondContact O-N 3.14Å; A526-A530 VanDerWaalsContact O-CB 3.29Å; A526-A530 WeakPolarHBondContact O-CB 3.45Å; A526-A530 PolarHBondContact O-N 2.9Å; A526-F560 HydrophobicContact CB-CD2 3.72Å; A526-F560 HydrophobicContact CB-CE2 3.74Å; A526-H563 HydrophobicContact CB-CB 3.75Å; A526-L564 HydrophobicContact CB-CB 4.28Å; A526-L564 WeakPolarHBondContact O-CD1 3.33Å
527	F	95.1	Very high	92.6	Very high	36 Å²	36	34 Å²	34	16%	0.158	17%	0.17	C	C	.	.	H	α-helix	trans	-69.7	-32.3	177.6	-65.2	-10.4	0	0	0	112.7	Y429 R523 N524 V525 H531 H563 E567	Y429-F527 HydrophobicContact CD1-CB 3.84Å; Y429-F527 HydrophobicContact CD1-CD2 4.13Å; Y429-F527 HydrophobicContact CD1-CG 4.49Å; Y429-F527 HydrophobicContact CD2-CB 3.73Å; Y429-F527 HydrophobicContact CE1-CB 4.05Å; Y429-F527 HydrophobicContact CE2-CB 3.95Å; Y429-F527 HydrophobicContact CG-CB 3.68Å; Y429-F527 AromaticContact CG-CD2 3.98Å; Y429-F527 HydrophobicContact CG-CD2 3.98Å; Y429-F527 HydrophobicContact CG-CG 4.37Å; R523-F527 HydrophobicContact CG-CD2 4.16Å; R523-F527 HydrophobicContact CG-CE1 4.17Å; R523-F527 HydrophobicContact CG-CE2 3.62Å; R523-F527 HydrophobicContact CG-CZ 3.63Å; R523-F527 WeakPolarHBondContact O-CD1 3.48Å; R523-F527 VanDerWaalsContact O-CG 3.25Å; R523-F527 WeakPolarHBondContact O-CG 3.44Å; R523-F527 PolarHBondContact O-N 3.25Å; N524-F527 PolarHBondContact O-N 3.18Å; V525-F527 VanDerWaalsContact C-N 3.34Å; V525-F527 PolarHBondContact O-N 3.14Å; F527-H531 PolarHBondContact O-N 2.87Å; F527-H531 VanDerWaalsContact O-N 3.07Å; F527-H563 HydrophobicContact CE1-CB 4.06Å; F527-E567 HydrophobicContact CB-CG 4.48Å; F527-E567 HydrophobicContact CD1-CB 3.68Å; F527-E567 HydrophobicContact CD1-CG 3.7Å; F527-E567 HydrophobicContact CE1-CB 3.89Å; F527-E567 HydrophobicContact CE1-CG 4.14Å; F527-E567 HydrophobicContact CG-CG 4.19Å
528	L	94.4	Very high	92.6	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-62.9	-51.4	173	-171.3	70.8	0	0	0	111.5	L420 C423 Y429 Y433 N524 V525 H531 L532	L420-L528 HydrophobicContact CB-CD2 4.46Å; L420-L528 HydrophobicContact CD1-CD2 3.55Å; C423-L528 HydrophobicContact CB-CD2 4.24Å; Y429-L528 HydrophobicContact CE2-CB 4.02Å; Y429-L528 HydrophobicContact CE2-CD1 4.22Å; Y433-L528 VanDerWaalsContact C-CD1 3.45Å; N524-L528 PolarHBondContact O-N 2.83Å; V525-L528 PolarHBondContact O-N 2.99Å; L528-H531 PolarHBondContact O-N 3.46Å; L528-L532 HydrophobicContact CG-CD1 4.22Å; L528-L532 WeakPolarHBondContact O-CG 3.23Å; L528-L532 PolarHBondContact O-N 3.4Å; L528-L532 VanDerWaalsContact O-N 3.14Å
529	F	94.8	Very high	92.5	Very high	3 Å²	3	29.7 Å²	29.7	1%	0.013	16%	0.155	C	C	.	.	H	α-helix	trans	-69.2	-33.1	179.1	-70.2	-61.6	0	0	0	112.7	L420 I506 F507 V525 H531 L532 L533 I538 F560 L564	L420-F529 HydrophobicContact CD1-CE2 4.2Å; L420-F529 HydrophobicContact CD1-CZ 4.39Å; L420-F529 HydrophobicContact CD2-CZ 4.47Å; I506-F529 HydrophobicContact CG2-CZ 4.44Å; F507-F529 HydrophobicContact CB-CD1 4.44Å; F507-F529 HydrophobicContact CB-CE1 3.89Å; F507-F529 HydrophobicContact CB-CZ 4.01Å; F507-F529 HydrophobicContact CD2-CB 4.14Å; F507-F529 AromaticContact CD2-CD1 3.66Å; F507-F529 HydrophobicContact CD2-CD1 3.66Å; F507-F529 AromaticContact CD2-CD2 3.75Å; F507-F529 HydrophobicContact CD2-CD2 3.75Å; F507-F529 AromaticContact CD2-CE1 3.88Å; F507-F529 HydrophobicContact CD2-CE1 3.88Å; F507-F529 AromaticContact CD2-CE2 3.95Å; F507-F529 HydrophobicContact CD2-CE2 3.95Å; F507-F529 AromaticContact CD2-CG 3.59Å; F507-F529 HydrophobicContact CD2-CG 3.59Å; F507-F529 HydrophobicContact CD2-CZ 4.02Å; F507-F529 HydrophobicContact CE2-CB 4.14Å; F507-F529 HydrophobicContact CE2-CD1 4.49Å; F507-F529 HydrophobicContact CE2-CD2 4.2Å; F507-F529 HydrophobicContact CE2-CG 4.05Å; F507-F529 HydrophobicContact CG-CE1 4.4Å; V525-F529 HydrophobicContact CG1-CD2 3.8Å; V525-F529 HydrophobicContact CG1-CE2 3.63Å; V525-F529 WeakPolarHBondContact O-CD2 3.37Å; V525-F529 PolarHBondContact O-N 3.43Å; V525-F529 VanDerWaalsContact O-N 3.14Å; F529-H531 VanDerWaalsContact C-N 3.32Å; F529-H531 PolarHBondContact O-N 3.21Å; F529-L532 HydrophobicContact CD1-CD1 4.32Å; F529-L532 PolarHBondContact O-N 3.1Å; F529-L533 WeakPolarHBondContact O-CB 3.41Å; F529-L533 WeakPolarHBondContact O-CG 3.43Å; F529-L533 PolarHBondContact O-N 3.36Å; F529-I538 HydrophobicContact CD1-CD1 4.21Å; F529-I538 HydrophobicContact CE1-CD1 4.39Å; F529-F560 HydrophobicContact CD2-CZ 4.38Å; F529-L564 HydrophobicContact CB-CD1 4.07Å
530	A	94.4	Very high	92.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.5	-42.8	170.6	0	0	0	0	0	112	A526 Y534 L564 E567 L568 F571	A526-A530 VanDerWaalsContact O-CB 3.29Å; A526-A530 WeakPolarHBondContact O-CB 3.45Å; A526-A530 PolarHBondContact O-N 2.9Å; A530-Y534 WeakPolarHBondContact O-CB 3.24Å; A530-Y534 PolarHBondContact O-N 3.25Å; A530-L564 HydrophobicContact CB-CD1 4.1Å; A530-E567 HydrophobicContact CB-CB 3.78Å; A530-E567 HydrophobicContact CB-CG 3.91Å; A530-L568 HydrophobicContact CB-CD2 4.28Å; A530-L568 HydrophobicContact CB-CG 4.07Å; A530-L568 VanDerWaalsContact O-CD2 3.32Å; A530-L568 WeakPolarHBondContact O-CD2 3.5Å; A530-F571 HydrophobicContact CB-CE2 4.38Å
531	H	94.3	Very high	92.3	Very high	23 Å²	23	25.2 Å²	25.2	11%	0.106	13%	0.126	C	C	.	.	H	α-helix	trans	-64.3	-42.3	176.3	-174.2	-77.6	0	0	0	111.9	G434 F527 L528 F529 Y534 S535 F571	G434-H531 VanDerWaalsContact C-CE1 3.42Å; G434-H531 PolarHBondContact O-CE1 3.28Å; G434-H531 PolarHBondContact O-ND1 3.1Å; F527-H531 PolarHBondContact O-N 2.87Å; F527-H531 VanDerWaalsContact O-N 3.07Å; L528-H531 PolarHBondContact O-N 3.46Å; F529-H531 VanDerWaalsContact C-N 3.32Å; F529-H531 PolarHBondContact O-N 3.21Å; H531-Y534 PolarHBondContact O-N 3.07Å; H531-S535 WeakPolarHBondContact O-CB 3.49Å; H531-S535 PolarHBondContact O-N 3.14Å; H531-S535 PolarHBondContact O-OG 3.44Å; H531-F571 HydrophobicContact CB-CE2 4.37Å
532	L	93.2	Very high	92	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-69.9	-38.4	-177.9	-69.8	165.2	0	0	0	113.3	A437 Q438 L528 F529 S535 D536 S537 I538	A437-L532 HydrophobicContact CB-CD1 3.87Å; A437-L532 HydrophobicContact CB-CD2 3.72Å; A437-L532 HydrophobicContact CB-CG 4.3Å; Q438-L532 HydrophobicContact CB-CD2 4.31Å; L528-L532 HydrophobicContact CG-CD1 4.22Å; L528-L532 WeakPolarHBondContact O-CG 3.23Å; L528-L532 PolarHBondContact O-N 3.4Å; L528-L532 VanDerWaalsContact O-N 3.14Å; F529-L532 HydrophobicContact CD1-CD1 4.32Å; F529-L532 PolarHBondContact O-N 3.1Å; L532-S535 PolarHBondContact O-OG 2.92Å; L532-D536 PolarHBondContact O-N 2.92Å; L532-S537 PolarHBondContact O-N 2.77Å; L532-I538 HydrophobicContact CB-CD1 3.75Å; L532-I538 HydrophobicContact CB-CG1 4.17Å; L532-I538 HydrophobicContact CD1-CD1 3.81Å; L532-I538 HydrophobicContact CG-CD1 4.29Å
533	L	92.9	Very high	91.8	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-69.9	-41.7	172.5	-72.7	164.7	0	0	0	111.8	F529 S535 D536 I538 W540 V542 F543 L564 L568	F529-L533 WeakPolarHBondContact O-CB 3.41Å; F529-L533 WeakPolarHBondContact O-CG 3.43Å; F529-L533 PolarHBondContact O-N 3.36Å; L533-S535 VanDerWaalsContact C-N 3.29Å; L533-S535 PolarHBondContact O-N 2.94Å; L533-D536 PolarHBondContact O-N 3.44Å; L533-I538 HydrophobicContact CD2-CG2 4.13Å; L533-W540 HydrophobicContact CB-CH2 4.43Å; L533-W540 HydrophobicContact CB-CZ2 4.08Å; L533-W540 HydrophobicContact CD2-CD2 4.13Å; L533-W540 HydrophobicContact CD2-CG 4.22Å; L533-W540 WeakPolarHBondContact O-CZ2 3.45Å; L533-W540 PolarHBondContact O-NE1 3.45Å; L533-V542 HydrophobicContact CD2-CG2 4.14Å; L533-F543 HydrophobicContact CD1-CE2 3.64Å; L533-F543 HydrophobicContact CD1-CZ 3.77Å; L533-F543 HydrophobicContact CD2-CE2 4.21Å; L533-L564 HydrophobicContact CD1-CD1 4.45Å; L533-L568 HydrophobicContact CB-CD2 4.07Å; L533-L568 HydrophobicContact CD1-CD1 4.46Å
534	Y	92.5	Very high	91.5	Very high	106 Å²	106	25.4 Å²	25.4	42%	0.416	13%	0.132	S	C	.	.	H	α-helix	trans	-61	-38	174.5	166.8	-115.1	0	0	0	112.4	A530 H531 D536 F571 M572	A530-Y534 WeakPolarHBondContact O-CB 3.24Å; A530-Y534 PolarHBondContact O-N 3.25Å; H531-Y534 PolarHBondContact O-N 3.07Å; Y534-D536 VanDerWaalsContact C-N 3.26Å; Y534-D536 PolarHBondContact O-N 3.26Å; Y534-F571 HydrophobicContact CD1-CB 3.82Å; Y534-F571 AromaticContact CD1-CD2 4Å; Y534-F571 HydrophobicContact CD1-CD2 4Å; Y534-F571 AromaticContact CD1-CG 3.9Å; Y534-F571 HydrophobicContact CD1-CG 3.9Å; Y534-F571 HydrophobicContact CD2-CB 3.53Å; Y534-F571 HydrophobicContact CD2-CG 4.43Å; Y534-F571 HydrophobicContact CE1-CB 4.06Å; Y534-F571 HydrophobicContact CE1-CG 4.32Å; Y534-F571 HydrophobicContact CE2-CB 3.78Å; Y534-F571 HydrophobicContact CG-CB 3.55Å; Y534-F571 AromaticContact CG-CD2 3.92Å; Y534-F571 HydrophobicContact CG-CD2 3.92Å; Y534-F571 AromaticContact CG-CG 3.96Å; Y534-F571 HydrophobicContact CG-CG 3.96Å; Y534-M572 HydrophobicContact CD2-CG 3.63Å; Y534-M572 HydrophobicContact CE2-CG 4.17Å
535	S	91.1	Very high	91.1	Very high	23 Å²	23	27.8 Å²	27.8	16%	0.161	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	11.6	179.9	64.7	0	0	0	0	114.7	Q438 H531 L532 L533 S537	Q438-S535 VanDerWaalsContact NE2-CB 3.34Å; H531-S535 WeakPolarHBondContact O-CB 3.49Å; H531-S535 PolarHBondContact O-N 3.14Å; H531-S535 PolarHBondContact O-OG 3.44Å; L532-S535 PolarHBondContact O-OG 2.92Å; L533-S535 VanDerWaalsContact C-N 3.29Å; L533-S535 PolarHBondContact O-N 2.94Å; S535-S537 PolarHBondContact O-N 3.25Å; S535-S537 VanDerWaalsContact O-N 3.11Å; S535-S537 PolarHBondContact O-OG 3.05Å; S535-S537 VanDerWaalsContact O-OG 3.04Å; S535-S537 PolarHBondContact OG-OG 3.39Å
536	D	89.4	Confident	90.8	Very high	89 Å²	89	27.6 Å²	27.6	48%	0.476	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.1	41.9	-174.7	-66.1	-43.9	0	0	0	112.2	L532 L533 Y534 W540 R580	L532-D536 PolarHBondContact O-N 2.92Å; L533-D536 PolarHBondContact O-N 3.44Å; Y534-D536 VanDerWaalsContact C-N 3.26Å; Y534-D536 PolarHBondContact O-N 3.26Å; D536-W540 PolarHBondContact OD1-NE1 2.89Å; D536-R580 IonicContact OD1-CZ 3.61Å; D536-R580 IonicContact OD1-NH1 3.79Å; D536-R580 PolarHBondContact OD1-NH1 3.3Å; D536-R580 IonicContact OD1-NH2 2.65Å; D536-R580 IonicContact OD2-CZ 3.78Å; D536-R580 IonicContact OD2-NH1 2.88Å; D536-R580 PolarHBondContact OD2-NH1 2.89Å; D536-R580 IonicContact OD2-NH2 3.16Å; D536-R580 PolarHBondContact OD2-NH2 3.46Å
537	S	88.6	Confident	90.3	Very high	12 Å²	12	34.9 Å²	34.9	8%	0.084	18%	0.175	C	C	.	.			trans	-99.7	-4.9	-178.2	-53.4	0	0	0	0	113.3	C441 L532 S535	C441-S537 WeakPolarHBondContact CB-O 3.23Å; C441-S537 PolarHBondContact SG-O 3.02Å; L532-S537 PolarHBondContact O-N 2.77Å; S535-S537 PolarHBondContact O-N 3.25Å; S535-S537 VanDerWaalsContact O-N 3.11Å; S535-S537 PolarHBondContact O-OG 3.05Å; S535-S537 VanDerWaalsContact O-OG 3.04Å; S535-S537 PolarHBondContact OG-OG 3.39Å
538	I	90	Very high	89.9	Confident	7 Å²	7	33.2 Å²	33.2	4%	0.036	17%	0.167	C	C	.	.	S	Bend	trans	-141	142.6	176.3	-77.4	179	0	0	0	105.9	F503 E504 F529 L532 L533 V542	F503-I538 HydrophobicContact CB-CD1 3.69Å; F503-I538 HydrophobicContact CB-CG1 4.23Å; E504-I538 HydrophobicContact CG-CG2 3.87Å; F529-I538 HydrophobicContact CD1-CD1 4.21Å; F529-I538 HydrophobicContact CE1-CD1 4.39Å; L532-I538 HydrophobicContact CB-CD1 3.75Å; L532-I538 HydrophobicContact CB-CG1 4.17Å; L532-I538 HydrophobicContact CD1-CD1 3.81Å; L532-I538 HydrophobicContact CG-CD1 4.29Å; L533-I538 HydrophobicContact CD2-CG2 4.13Å; I538-V542 HydrophobicContact CG2-CG1 3.73Å; I538-V542 HydrophobicContact CG2-CG2 4.14Å
539	S	88.6	Confident	89.4	Confident	58 Å²	58	34.4 Å²	34.4	41%	0.406	17%	0.174	S	C	.	.			trans	-63.6	138.4	174.1	-176.5	0	0	0	0	111.3	E504 G541 V542	E504-S539 WeakPolarHBondContact OE1-CA 3.49Å; E504-S539 WeakPolarHBondContact OE1-CB 3.48Å; E504-S539 PolarHBondContact OE1-N 2.97Å; S539-G541 PolarHBondContact O-N 3.39Å; S539-G541 PolarHBondContact OG-N 3.16Å; S539-G541 VanDerWaalsContact OG-N 3.11Å; S539-V542 WeakPolarHBondContact O-CG2 3.37Å; S539-V542 PolarHBondContact O-N 3.34Å
540	W	88.9	Confident	88.9	Confident	9 Å²	9	40.8 Å²	40.8	3%	0.034	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-65.3	-7.3	169.5	-70.6	74.3	0	0	0	112.5	L533 D536 V542 F543 L568 M572 L577 L586 F590	L533-W540 HydrophobicContact CB-CH2 4.43Å; L533-W540 HydrophobicContact CB-CZ2 4.08Å; L533-W540 HydrophobicContact CD2-CD2 4.13Å; L533-W540 HydrophobicContact CD2-CG 4.22Å; L533-W540 WeakPolarHBondContact O-CZ2 3.45Å; L533-W540 PolarHBondContact O-NE1 3.45Å; D536-W540 PolarHBondContact OD1-NE1 2.89Å; W540-V542 PolarHBondContact O-N 2.86Å; W540-F543 HydrophobicContact CE3-CD2 4.19Å; W540-F543 AromaticContact CE3-CE2 3.72Å; W540-F543 HydrophobicContact CE3-CE2 3.72Å; W540-F543 HydrophobicContact CZ3-CE2 4.02Å; W540-F543 WeakPolarHBondContact O-CD2 3.25Å; W540-F543 PolarHBondContact O-N 3.47Å; W540-L568 HydrophobicContact CH2-CD1 4.11Å; W540-L568 HydrophobicContact CH2-CD2 4.05Å; W540-L568 HydrophobicContact CZ3-CD1 4.28Å; W540-M572 HydrophobicContact CH2-CE 4.37Å; W540-M572 HydrophobicContact CH2-SD 3.99Å; W540-M572 HydrophobicContact CZ2-CE 4.08Å; W540-M572 HydrophobicContact CZ2-SD 4.15Å; W540-L577 HydrophobicContact CH2-CD1 4.21Å; W540-L577 HydrophobicContact CZ3-CD1 4.42Å; W540-L586 HydrophobicContact CB-CD1 3.99Å; W540-L586 HydrophobicContact CB-CD2 4.25Å; W540-L586 HydrophobicContact CG-CD1 4.34Å; W540-F590 HydrophobicContact CB-CZ 4.32Å; W540-F590 HydrophobicContact CE3-CE1 4.39Å; W540-F590 HydrophobicContact CE3-CZ 4.14Å
541	G	87	Confident	88.3	Confident	13 Å²	13	52 Å²	52	13%	0.134	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-60.1	-23	171.2	0	0	0	0	0	114.9	S539 F543 E544	S539-G541 PolarHBondContact O-N 3.39Å; S539-G541 PolarHBondContact OG-N 3.16Å; S539-G541 VanDerWaalsContact OG-N 3.11Å; G541-F543 PolarHBondContact O-N 3.25Å; G541-E544 WeakPolarHBondContact O-CB 3.32Å; G541-E544 PolarHBondContact O-N 3.29Å
542	V	88.2	Confident	87.8	Confident	18 Å²	18	55 Å²	55	11%	0.109	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-58.8	-17.4	178.3	-60.5	0	0	0	0	114.3	E504 F507 L533 I538 S539 W540 E544 C545	E504-V542 HydrophobicContact CB-CG1 3.93Å; E504-V542 HydrophobicContact CG-CG1 3.63Å; F507-V542 HydrophobicContact CD1-CB 3.63Å; F507-V542 HydrophobicContact CD1-CG2 3.91Å; F507-V542 HydrophobicContact CE1-CB 3.99Å; F507-V542 HydrophobicContact CE1-CG2 3.93Å; F507-V542 WeakPolarHBondContact CE1-O 3.17Å; F507-V542 HydrophobicContact CG-CB 4.14Å; F507-V542 HydrophobicContact CG-CG2 4.21Å; F507-V542 HydrophobicContact CZ-CG2 4.25Å; L533-V542 HydrophobicContact CD2-CG2 4.14Å; I538-V542 HydrophobicContact CG2-CG1 3.73Å; I538-V542 HydrophobicContact CG2-CG2 4.14Å; S539-V542 WeakPolarHBondContact O-CG2 3.37Å; S539-V542 PolarHBondContact O-N 3.34Å; W540-V542 PolarHBondContact O-N 2.86Å; V542-E544 PolarHBondContact O-N 3.15Å; V542-C545 PolarHBondContact O-SG 2.68Å
543	F	88.4	Confident	87.5	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-69.6	-9.8	175.3	-78.1	-75.2	0	0	0	114.5	L533 W540 G541 C545 V546 L564 F565 F589 F590	L533-F543 HydrophobicContact CD1-CE2 3.64Å; L533-F543 HydrophobicContact CD1-CZ 3.77Å; L533-F543 HydrophobicContact CD2-CE2 4.21Å; W540-F543 HydrophobicContact CE3-CD2 4.19Å; W540-F543 AromaticContact CE3-CE2 3.72Å; W540-F543 HydrophobicContact CE3-CE2 3.72Å; W540-F543 HydrophobicContact CZ3-CE2 4.02Å; W540-F543 WeakPolarHBondContact O-CD2 3.25Å; W540-F543 PolarHBondContact O-N 3.47Å; G541-F543 PolarHBondContact O-N 3.25Å; F543-C545 PolarHBondContact O-N 2.97Å; F543-V546 HydrophobicContact CD1-CB 4.35Å; F543-V546 HydrophobicContact CD1-CG2 4.05Å; F543-V546 VanDerWaalsContact O-CB 3.31Å; F543-V546 WeakPolarHBondContact O-CB 3.49Å; F543-V546 PolarHBondContact O-N 2.95Å; F543-L564 HydrophobicContact CE1-CD2 3.72Å; F543-L564 HydrophobicContact CZ-CD2 3.84Å; F543-F565 HydrophobicContact CD1-CZ 4.38Å; F543-F565 HydrophobicContact CE1-CE1 4.31Å; F543-F565 HydrophobicContact CE1-CE2 4.31Å; F543-F565 AromaticContact CE1-CZ 3.64Å; F543-F565 HydrophobicContact CE1-CZ 3.64Å; F543-F565 HydrophobicContact CZ-CE1 4.24Å; F543-F565 HydrophobicContact CZ-CZ 4.03Å; F543-F589 CarbonylContact C-O 3.11Å; F543-F590 HydrophobicContact CB-CD1 4Å; F543-F590 HydrophobicContact CB-CE1 4.11Å; F543-F590 AromaticContact CD2-CE1 3.9Å; F543-F590 HydrophobicContact CD2-CE1 3.9Å; F543-F590 HydrophobicContact CG-CD1 4.43Å; F543-F590 HydrophobicContact CG-CE1 4.22Å
544	E	87.1	Confident	87.4	Confident	129 Å²	129	58.2 Å²	58.2	60%	0.603	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-59.2	-32.1	179.2	-169	178.5	159.2	0	0	113.3	G541 V542 V546 F589	G541-E544 WeakPolarHBondContact O-CB 3.32Å; G541-E544 PolarHBondContact O-N 3.29Å; V542-E544 PolarHBondContact O-N 3.15Å; E544-V546 PolarHBondContact O-N 3.1Å; E544-F589 WeakPolarHBondContact CA-O 3.29Å; E544-F589 HydrophobicContact CB-CD1 4.29Å; E544-F589 PolarHBondContact N-O 3.07Å
545	C	85	Confident	87.3	Confident	51 Å²	51	57.3 Å²	57.3	35%	0.345	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-74	-13	175.5	72.3	0	0	0	0	113.6	V542 F543 R547	V542-C545 PolarHBondContact O-SG 2.68Å; F543-C545 PolarHBondContact O-N 2.97Å; C545-R547 PolarHBondContact O-N 2.98Å
546	V	88	Confident	87.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.291	C	S	.	.			trans	-91	97	-173.1	-177.3	0	0	0	0	110.6	F507 Y511 F543 E544 L561 G592 L593	F507-V546 HydrophobicContact CE1-CG2 4.19Å; F507-V546 HydrophobicContact CZ-CG2 4.42Å; Y511-V546 HydrophobicContact CD2-CG2 4.2Å; Y511-V546 HydrophobicContact CE1-CG2 4.36Å; Y511-V546 HydrophobicContact CE2-CG1 4.27Å; Y511-V546 HydrophobicContact CE2-CG2 4.02Å; Y511-V546 HydrophobicContact CG-CG2 4.49Å; F543-V546 HydrophobicContact CD1-CB 4.35Å; F543-V546 HydrophobicContact CD1-CG2 4.05Å; F543-V546 VanDerWaalsContact O-CB 3.31Å; F543-V546 WeakPolarHBondContact O-CB 3.49Å; F543-V546 PolarHBondContact O-N 2.95Å; E544-V546 PolarHBondContact O-N 3.1Å; V546-L561 HydrophobicContact CG1-CD1 3.71Å; V546-L561 HydrophobicContact CG1-CD2 3.67Å; V546-L561 HydrophobicContact CG1-CG 4.33Å; V546-G592 CarbonylContact O-C 3.6Å; V546-G592 WeakPolarHBondContact O-CA 3.32Å; V546-L593 HydrophobicContact CG1-CD1 4.42Å; V546-L593 PolarHBondContact O-N 2.97Å
547	R	84.8	Confident	87.4	Confident	153 Å²	153	53.1 Å²	53.1	58%	0.577	27%	0.27	S	S	*	.			trans	-94.5	130.5	170.8	-62	-176.7	-172.9	163.3	4.2	111.7	C545 D552 T553 G592	C545-R547 PolarHBondContact O-N 2.98Å; R547-D552 HydrophobicContact CB-CB 4.45Å; R547-T553 PolarHBondContact O-OG1 3.01Å; R547-G592 CarbonylContact C-O 3.56Å; R547-G592 WeakPolarHBondContact CA-O 3.4Å
548	L	85.8	Confident	87.5	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.281	C	S	.	.			trans	-108	65	-178.1	-169.3	60.4	0	0	0	111.4	T553 L561 G592 L593 F604 A605 F608	L548-T553 WeakPolarHBondContact CA-OG1 3.41Å; L548-T553 HydrophobicContact CD1-CG2 4.25Å; L548-L561 HydrophobicContact CD1-CD1 4.45Å; L548-G592 PolarHBondContact N-O 3.26Å; L548-L593 HydrophobicContact CD2-CD1 4.32Å; L548-F604 HydrophobicContact CD1-CD1 4.42Å; L548-F604 HydrophobicContact CD1-CE1 3.93Å; L548-F604 HydrophobicContact CG-CD1 4.23Å; L548-F604 HydrophobicContact CG-CE1 4.23Å; L548-F604 WeakPolarHBondContact O-CD1 3.25Å; L548-A605 HydrophobicContact CD2-CB 3.72Å; L548-A605 HydrophobicContact CG-CB 4.27Å; L548-F608 HydrophobicContact CD1-CD1 3.56Å; L548-F608 HydrophobicContact CD1-CE1 3.82Å; L548-F608 HydrophobicContact CD1-CG 4.07Å; L548-F608 HydrophobicContact CD2-CD1 3.77Å; L548-F608 HydrophobicContact CD2-CE1 4.44Å; L548-F608 HydrophobicContact CG-CD1 4.28Å
549	N	84.6	Confident	87.7	Confident	27 Å²	27	59.2 Å²	59.2	14%	0.144	29%	0.294	C	S	.	.			trans	-117.9	154.9	-175.6	-63.8	-21.6	0	0	0	110.9	R551 D552 T553 D601	N549-R551 PolarHBondContact O-N 3.29Å; N549-D552 HydrophobicContact CB-CB 4.36Å; N549-D552 PolarHBondContact ND2-OD2 3.46Å; N549-T553 PolarHBondContact N-OG1 2.74Å; N549-T553 WeakPolarHBondContact O-CB 3.5Å; N549-T553 PolarHBondContact O-N 3Å; N549-T553 PolarHBondContact O-OG1 3.18Å; N549-D601 WeakPolarHBondContact OD1-CB 3.37Å; N549-D601 VanDerWaalsContact OD1-CG 3.32Å
550	E	83.5	Confident	87.9	Confident	137 Å²	137	56.6 Å²	56.6	64%	0.64	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.7	178.7	-177.1	168.2	-138.3	0	0	113.1	R558 F604	E550-R558 PolarHBondContact O-NH2 2.93Å; E550-F604 HydrophobicContact CB-CD2 4.11Å; E550-F604 HydrophobicContact CB-CE2 4.25Å
551	R	82.6	Confident	88.1	Confident	235 Å²	235	56.2 Å²	56.2	89%	0.887	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-47.9	-178.6	-65	174.1	175.4	169.8	-5.6	113.3	N549	N549-R551 PolarHBondContact O-N 3.29Å
552	D	84.4	Confident	88.4	Confident	85 Å²	85	60.1 Å²	60.1	46%	0.455	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-31.3	-166.5	-49.2	-23	0	0	0	111.9	R547 N549 T554	R547-D552 HydrophobicContact CB-CB 4.45Å; N549-D552 HydrophobicContact CB-CB 4.36Å; N549-D552 PolarHBondContact ND2-OD2 3.46Å; D552-T554 PolarHBondContact O-N 3.22Å
553	T	86.8	Confident	88.6	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.012	29%	0.293	C	S	.	.			trans	-85.9	101.1	-172.2	-39.7	0	0	0	0	111.8	R547 L548 N549 R558	R547-T553 PolarHBondContact O-OG1 3.01Å; L548-T553 WeakPolarHBondContact CA-OG1 3.41Å; L548-T553 HydrophobicContact CD1-CG2 4.25Å; N549-T553 PolarHBondContact N-OG1 2.74Å; N549-T553 WeakPolarHBondContact O-CB 3.5Å; N549-T553 PolarHBondContact O-N 3Å; N549-T553 PolarHBondContact O-OG1 3.18Å; T553-R558 HydrophobicContact CG2-CG 3.81Å; T553-R558 VanDerWaalsContact O-CZ 3.24Å; T553-R558 PolarHBondContact O-NE 3.49Å; T553-R558 PolarHBondContact O-NH2 3.01Å
554	T	89.9	Confident	88.9	Confident	69 Å²	69	61.5 Å²	61.5	42%	0.423	29%	0.293	S	S	.	.			trans	-59.1	161.9	174.4	66.1	0	0	0	0	113.3	D552 S556 G557 R558	D552-T554 PolarHBondContact O-N 3.22Å; T554-S556 VanDerWaalsContact C-N 3.35Å; T554-S556 PolarHBondContact O-N 3.44Å; T554-G557 PolarHBondContact O-N 3.2Å; T554-G557 PolarHBondContact OG1-N 3.2Å; T554-R558 WeakPolarHBondContact O-CG 3.33Å; T554-R558 PolarHBondContact O-N 3.37Å
555	S	90.3	Very high	89.1	Confident	86 Å²	86	55.5 Å²	55.5	60%	0.601	27%	0.265	S	S	*	.	H	α-helix	trans	-58.8	-43.1	174.2	49.1	0	0	0	0	112.5	R558 I559	S555-R558 WeakPolarHBondContact O-CB 3.33Å; S555-R558 PolarHBondContact O-N 2.99Å; S555-I559 WeakPolarHBondContact O-CG1 3.47Å; S555-I559 PolarHBondContact O-N 3.28Å
556	S	91.8	Very high	89.5	Confident	22 Å²	22	56.3 Å²	56.3	15%	0.154	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-39.7	173.8	-58.9	0	0	0	0	112.2	I514 T554 I559 F560	I514-S556 VanDerWaalsContact CG2-C 3.44Å; I514-S556 VanDerWaalsContact CG2-CB 3.47Å; I514-S556 WeakPolarHBondContact O-CB 3.48Å; T554-S556 VanDerWaalsContact C-N 3.35Å; T554-S556 PolarHBondContact O-N 3.44Å; S556-I559 PolarHBondContact O-N 2.93Å; S556-F560 PolarHBondContact O-N 2.97Å
557	G	91	Very high	89.8	Confident	2 Å²	2	58.2 Å²	58.2	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-42.9	172.9	0	0	0	0	0	112.8	T554 I559 F560 L561	T554-G557 PolarHBondContact O-N 3.2Å; T554-G557 PolarHBondContact OG1-N 3.2Å; G557-I559 VanDerWaalsContact C-N 3.29Å; G557-I559 PolarHBondContact O-N 3.46Å; G557-F560 PolarHBondContact O-N 3.33Å; G557-L561 WeakPolarHBondContact O-CB 3.27Å; G557-L561 WeakPolarHBondContact O-CG 3.36Å; G557-L561 PolarHBondContact O-N 2.97Å
558	R	91.5	Very high	90.2	Very high	87 Å²	87	51 Å²	51	33%	0.328	25%	0.247	S	C	.	.	H	α-helix	trans	-61.2	-36	174.3	-66.1	170.3	-151.2	-161	0.4	112.1	E550 T553 T554 S555 K562 F608	E550-R558 PolarHBondContact O-NH2 2.93Å; T553-R558 HydrophobicContact CG2-CG 3.81Å; T553-R558 VanDerWaalsContact O-CZ 3.24Å; T553-R558 PolarHBondContact O-NE 3.49Å; T553-R558 PolarHBondContact O-NH2 3.01Å; T554-R558 WeakPolarHBondContact O-CG 3.33Å; T554-R558 PolarHBondContact O-N 3.37Å; S555-R558 WeakPolarHBondContact O-CB 3.33Å; S555-R558 PolarHBondContact O-N 2.99Å; R558-K562 VanDerWaalsContact O-CB 3.26Å; R558-K562 WeakPolarHBondContact O-CB 3.09Å; R558-K562 PolarHBondContact O-N 3.36Å; R558-F608 HydrophobicContact CB-CE2 3.73Å; R558-F608 HydrophobicContact CB-CZ 4.27Å; R558-F608 HydrophobicContact CG-CE2 4.05Å; R558-F608 WeakPolarHBondContact O-CZ 3.35Å
559	I	92.6	Very high	90.5	Very high	60 Å²	60	52.3 Å²	52.3	31%	0.308	26%	0.256	S	S	.	.	H	α-helix	trans	-71.9	-45.6	175.8	-68	166.6	0	0	0	111.2	T519 S555 S556 G557 K562 H563	T519-I559 HydrophobicContact CG2-CD1 4.31Å; S555-I559 WeakPolarHBondContact O-CG1 3.47Å; S555-I559 PolarHBondContact O-N 3.28Å; S556-I559 PolarHBondContact O-N 2.93Å; G557-I559 VanDerWaalsContact C-N 3.29Å; G557-I559 PolarHBondContact O-N 3.46Å; I559-K562 WeakPolarHBondContact O-CB 3.2Å; I559-K562 PolarHBondContact O-N 2.91Å; I559-H563 PolarHBondContact O-CD2 3.47Å; I559-H563 VanDerWaalsContact O-CD2 3.23Å; I559-H563 PolarHBondContact O-N 3.49Å; I559-H563 VanDerWaalsContact O-N 3.1Å
560	F	93.8	Very high	90.8	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-58.4	-54.1	177.1	173.6	-101.9	0	0	0	111.9	F507 Y511 I514 V525 A526 F529 S556 G557 K562 H563 L564	F507-F560 HydrophobicContact CE2-CE1 4.34Å; F507-F560 HydrophobicContact CE2-CZ 4.1Å; F507-F560 HydrophobicContact CZ-CE1 4.43Å; Y511-F560 HydrophobicContact CD2-CD1 4.16Å; Y511-F560 HydrophobicContact CD2-CE1 4.1Å; Y511-F560 HydrophobicContact CE2-CD1 4.31Å; I514-F560 HydrophobicContact CD1-CB 3.76Å; I514-F560 HydrophobicContact CD1-CD1 3.42Å; I514-F560 VanDerWaalsContact CD1-CD1 3.42Å; I514-F560 HydrophobicContact CD1-CD2 3.96Å; I514-F560 HydrophobicContact CD1-CE1 3.95Å; I514-F560 HydrophobicContact CD1-CE2 4.43Å; I514-F560 HydrophobicContact CD1-CG 3.42Å; I514-F560 VanDerWaalsContact CD1-CG 3.42Å; I514-F560 HydrophobicContact CD1-CZ 4.43Å; I514-F560 HydrophobicContact CG1-CG 4.35Å; V525-F560 HydrophobicContact CG1-CE2 4.09Å; A526-F560 HydrophobicContact CB-CD2 3.72Å; A526-F560 HydrophobicContact CB-CE2 3.74Å; F529-F560 HydrophobicContact CD2-CZ 4.38Å; S556-F560 PolarHBondContact O-N 2.97Å; G557-F560 PolarHBondContact O-N 3.33Å; F560-K562 VanDerWaalsContact C-N 3.29Å; F560-K562 PolarHBondContact O-N 3.09Å; F560-H563 PolarHBondContact O-N 3.45Å; F560-H563 VanDerWaalsContact O-N 3.08Å; F560-L564 HydrophobicContact CE1-CD2 4.09Å; F560-L564 HydrophobicContact CZ-CD2 4.46Å; F560-L564 WeakPolarHBondContact O-CB 3.44Å; F560-L564 PolarHBondContact O-N 3.27Å
561	L	92.4	Very high	91.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.3	-36.2	179.9	-65.2	174.5	0	0	0	112	Y511 V546 L548 G557 H563 L564 F565 F608	Y511-L561 HydrophobicContact CE2-CD2 4.27Å; Y511-L561 HydrophobicContact CE2-CG 4.44Å; V546-L561 HydrophobicContact CG1-CD1 3.71Å; V546-L561 HydrophobicContact CG1-CD2 3.67Å; V546-L561 HydrophobicContact CG1-CG 4.33Å; L548-L561 HydrophobicContact CD1-CD1 4.45Å; G557-L561 WeakPolarHBondContact O-CB 3.27Å; G557-L561 WeakPolarHBondContact O-CG 3.36Å; G557-L561 PolarHBondContact O-N 2.97Å; L561-H563 PolarHBondContact O-N 3.36Å; L561-L564 HydrophobicContact CD2-CD2 4.18Å; L561-L564 PolarHBondContact O-N 2.93Å; L561-F565 HydrophobicContact CB-CD2 4.41Å; L561-F565 HydrophobicContact CD2-CE2 4.29Å; L561-F565 VanDerWaalsContact O-CD2 3.27Å; L561-F565 WeakPolarHBondContact O-CD2 3.46Å; L561-F565 PolarHBondContact O-N 3.04Å; L561-F608 HydrophobicContact CB-CE1 4.06Å; L561-F608 HydrophobicContact CB-CZ 3.98Å
562	K	93.2	Very high	91.4	Very high	96 Å²	96	41.6 Å²	41.6	42%	0.417	22%	0.224	S	C	.	.	H	α-helix	trans	-58.1	-47.1	172.1	169.3	174.8	176.4	179.8	0	111.8	R558 I559 F560 L566 I612	R558-K562 VanDerWaalsContact O-CB 3.26Å; R558-K562 WeakPolarHBondContact O-CB 3.09Å; R558-K562 PolarHBondContact O-N 3.36Å; I559-K562 WeakPolarHBondContact O-CB 3.2Å; I559-K562 PolarHBondContact O-N 2.91Å; F560-K562 VanDerWaalsContact C-N 3.29Å; F560-K562 PolarHBondContact O-N 3.09Å; K562-L566 HydrophobicContact CG-CD1 3.88Å; K562-L566 WeakPolarHBondContact O-CB 3.44Å; K562-L566 WeakPolarHBondContact O-CD1 3.47Å; K562-L566 WeakPolarHBondContact O-CG 3.45Å; K562-L566 PolarHBondContact O-N 3Å; K562-I612 HydrophobicContact CB-CD1 4.18Å; K562-I612 HydrophobicContact CB-CG1 4.03Å; K562-I612 HydrophobicContact CG-CG1 4.09Å; K562-I612 HydrophobicContact CG-CG2 4.41Å
563	H	93.8	Very high	91.7	Very high	47 Å²	47	38.9 Å²	38.9	22%	0.218	22%	0.216	C	C	.	.	H	α-helix	trans	-69.4	-41.2	178.9	-76.3	-63.5	0	0	0	112.3	A526 F527 I559 F560 L561 L566 E567	A526-H563 HydrophobicContact CB-CB 3.75Å; F527-H563 HydrophobicContact CE1-CB 4.06Å; I559-H563 PolarHBondContact O-CD2 3.47Å; I559-H563 VanDerWaalsContact O-CD2 3.23Å; I559-H563 PolarHBondContact O-N 3.49Å; I559-H563 VanDerWaalsContact O-N 3.1Å; F560-H563 PolarHBondContact O-N 3.45Å; F560-H563 VanDerWaalsContact O-N 3.08Å; L561-H563 PolarHBondContact O-N 3.36Å; H563-L566 PolarHBondContact O-N 3.27Å; H563-E567 WeakPolarHBondContact O-CB 3.38Å; H563-E567 PolarHBondContact O-N 3.15Å; H563-E567 VanDerWaalsContact O-N 3.08Å
564	L	93.9	Very high	91.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.9	-52.1	178.3	-174.7	70.6	0	0	0	111.7	A526 F529 A530 L533 F543 F560 L561 E567 L568	A526-L564 HydrophobicContact CB-CB 4.28Å; A526-L564 WeakPolarHBondContact O-CD1 3.33Å; F529-L564 HydrophobicContact CB-CD1 4.07Å; A530-L564 HydrophobicContact CB-CD1 4.1Å; L533-L564 HydrophobicContact CD1-CD1 4.45Å; F543-L564 HydrophobicContact CE1-CD2 3.72Å; F543-L564 HydrophobicContact CZ-CD2 3.84Å; F560-L564 HydrophobicContact CE1-CD2 4.09Å; F560-L564 HydrophobicContact CZ-CD2 4.46Å; F560-L564 WeakPolarHBondContact O-CB 3.44Å; F560-L564 PolarHBondContact O-N 3.27Å; L561-L564 HydrophobicContact CD2-CD2 4.18Å; L561-L564 PolarHBondContact O-N 2.93Å; L564-E567 PolarHBondContact O-N 2.94Å; L564-L568 HydrophobicContact CG-CD1 4.28Å; L564-L568 WeakPolarHBondContact O-CB 3.34Å; L564-L568 WeakPolarHBondContact O-CG 3.45Å; L564-L568 PolarHBondContact O-N 3.26Å
565	F	92.2	Very high	91.5	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.009	24%	0.242	C	C	.	.	H	α-helix	trans	-74.8	-29.1	-177.7	-74.9	-65.1	0	0	0	114.1	F543 L561 L568 C569 L593 L614	F543-F565 HydrophobicContact CD1-CZ 4.38Å; F543-F565 HydrophobicContact CE1-CE1 4.31Å; F543-F565 HydrophobicContact CE1-CE2 4.31Å; F543-F565 AromaticContact CE1-CZ 3.64Å; F543-F565 HydrophobicContact CE1-CZ 3.64Å; F543-F565 HydrophobicContact CZ-CE1 4.24Å; F543-F565 HydrophobicContact CZ-CZ 4.03Å; L561-F565 HydrophobicContact CB-CD2 4.41Å; L561-F565 HydrophobicContact CD2-CE2 4.29Å; L561-F565 VanDerWaalsContact O-CD2 3.27Å; L561-F565 WeakPolarHBondContact O-CD2 3.46Å; L561-F565 PolarHBondContact O-N 3.04Å; F565-L568 HydrophobicContact CD1-CD1 4.25Å; F565-L568 HydrophobicContact CE1-CD1 4.45Å; F565-C569 VanDerWaalsContact O-CB 3.25Å; F565-C569 WeakPolarHBondContact O-CB 3.5Å; F565-C569 PolarHBondContact O-N 3.08Å; F565-L593 HydrophobicContact CE1-CD2 4.32Å; F565-L593 HydrophobicContact CE2-CD1 3.81Å; F565-L593 HydrophobicContact CE2-CD2 4.35Å; F565-L593 HydrophobicContact CZ-CD1 3.89Å; F565-L593 HydrophobicContact CZ-CD2 3.58Å; F565-L593 HydrophobicContact CZ-CG 4.39Å; F565-L614 HydrophobicContact CB-CD1 3.55Å
566	L	93.1	Very high	91.4	Very high	68 Å²	68	45.5 Å²	45.5	36%	0.356	24%	0.242	S	C	.	.	H	α-helix	trans	-65.6	-42.1	171.7	-75.9	171.3	0	0	0	111.4	K562 H563 C569 S570 I612	K562-L566 HydrophobicContact CG-CD1 3.88Å; K562-L566 WeakPolarHBondContact O-CB 3.44Å; K562-L566 WeakPolarHBondContact O-CD1 3.47Å; K562-L566 WeakPolarHBondContact O-CG 3.45Å; K562-L566 PolarHBondContact O-N 3Å; H563-L566 PolarHBondContact O-N 3.27Å; L566-C569 PolarHBondContact O-N 3.48Å; L566-S570 PolarHBondContact O-N 3.01Å; L566-I612 HydrophobicContact CD1-CG2 4.22Å; L566-I612 HydrophobicContact CD2-CG2 3.77Å; L566-I612 HydrophobicContact CG-CG2 3.68Å
567	E	94.1	Very high	91.2	Very high	41 Å²	41	44.5 Å²	44.5	19%	0.192	24%	0.235	C	C	.	.	H	α-helix	trans	-72.7	-39.8	-179.9	-162.4	66.4	-174.4	0	0	111.9	F527 A530 H563 L564 C569 S570 F571	F527-E567 HydrophobicContact CB-CG 4.48Å; F527-E567 HydrophobicContact CD1-CB 3.68Å; F527-E567 HydrophobicContact CD1-CG 3.7Å; F527-E567 HydrophobicContact CE1-CB 3.89Å; F527-E567 HydrophobicContact CE1-CG 4.14Å; F527-E567 HydrophobicContact CG-CG 4.19Å; A530-E567 HydrophobicContact CB-CB 3.78Å; A530-E567 HydrophobicContact CB-CG 3.91Å; H563-E567 WeakPolarHBondContact O-CB 3.38Å; H563-E567 PolarHBondContact O-N 3.15Å; H563-E567 VanDerWaalsContact O-N 3.08Å; L564-E567 PolarHBondContact O-N 2.94Å; E567-C569 VanDerWaalsContact C-N 3.3Å; E567-C569 PolarHBondContact O-N 3.19Å; E567-S570 WeakPolarHBondContact O-CA 3.35Å; E567-S570 WeakPolarHBondContact O-CB 3.42Å; E567-S570 PolarHBondContact O-N 3.33Å; E567-F571 HydrophobicContact CG-CD2 4.35Å; E567-F571 HydrophobicContact CG-CE2 3.66Å; E567-F571 HydrophobicContact CG-CZ 3.87Å; E567-F571 WeakPolarHBondContact O-CD2 3.38Å; E567-F571 PolarHBondContact O-N 3.44Å; E567-F571 WeakPolarHBondContact OE1-CZ 3.48Å
568	L	92.7	Very high	90.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.2	-40.5	169.5	-74.6	171.3	0	0	0	112.1	A530 L533 W540 L564 F565 S570 F571 M572 L577	A530-L568 HydrophobicContact CB-CD2 4.28Å; A530-L568 HydrophobicContact CB-CG 4.07Å; A530-L568 VanDerWaalsContact O-CD2 3.32Å; A530-L568 WeakPolarHBondContact O-CD2 3.5Å; L533-L568 HydrophobicContact CB-CD2 4.07Å; L533-L568 HydrophobicContact CD1-CD1 4.46Å; W540-L568 HydrophobicContact CH2-CD1 4.11Å; W540-L568 HydrophobicContact CH2-CD2 4.05Å; W540-L568 HydrophobicContact CZ3-CD1 4.28Å; L564-L568 HydrophobicContact CG-CD1 4.28Å; L564-L568 WeakPolarHBondContact O-CB 3.34Å; L564-L568 WeakPolarHBondContact O-CG 3.45Å; L564-L568 PolarHBondContact O-N 3.26Å; F565-L568 HydrophobicContact CD1-CD1 4.25Å; F565-L568 HydrophobicContact CE1-CD1 4.45Å; L568-S570 VanDerWaalsContact C-N 3.29Å; L568-S570 PolarHBondContact O-N 3.46Å; L568-F571 PolarHBondContact O-N 2.88Å; L568-M572 HydrophobicContact CD2-SD 4.42Å; L568-M572 VanDerWaalsContact O-CB 3.32Å; L568-M572 WeakPolarHBondContact O-CB 3.46Å; L568-M572 WeakPolarHBondContact O-CG 3.48Å; L568-M572 PolarHBondContact O-N 3.14Å; L568-L577 HydrophobicContact CB-CD1 4.4Å
569	C	92.3	Very high	90.7	Very high	29 Å²	29	44.6 Å²	44.6	20%	0.196	25%	0.249	C	C	.	.	H	α-helix	trans	-67.6	-29.1	174.1	-170.5	0	0	0	0	112.6	F565 L566 E567 G573 L577 L614	F565-C569 VanDerWaalsContact O-CB 3.25Å; F565-C569 WeakPolarHBondContact O-CB 3.5Å; F565-C569 PolarHBondContact O-N 3.08Å; L566-C569 PolarHBondContact O-N 3.48Å; E567-C569 VanDerWaalsContact C-N 3.3Å; E567-C569 PolarHBondContact O-N 3.19Å; C569-G573 VanDerWaalsContact O-CA 3.25Å; C569-G573 WeakPolarHBondContact O-CA 3.36Å; C569-G573 PolarHBondContact O-N 3.26Å; C569-L577 HydrophobicContact CB-CD2 4.13Å; C569-L614 HydrophobicContact CB-CD2 3.74Å; C569-L614 VanDerWaalsContact SG-CD2 3.58Å
570	S	91.9	Very high	90.3	Very high	86 Å²	86	45.8 Å²	45.8	60%	0.601	25%	0.25	S	C	*	.	H	α-helix	trans	-66.6	-47.7	173.9	-165.5	0	0	0	0	111.4	L566 E567 L568	L566-S570 PolarHBondContact O-N 3.01Å; E567-S570 WeakPolarHBondContact O-CA 3.35Å; E567-S570 WeakPolarHBondContact O-CB 3.42Å; E567-S570 PolarHBondContact O-N 3.33Å; L568-S570 VanDerWaalsContact C-N 3.29Å; L568-S570 PolarHBondContact O-N 3.46Å
571	F	90.9	Very high	89.8	Confident	66 Å²	66	46.1 Å²	46.1	29%	0.289	25%	0.251	S	S	.	.	H	α-helix	trans	-74.3	-41.1	-180	-60.8	-43.3	0	0	0	113.9	A530 H531 Y534 E567 L568	A530-F571 HydrophobicContact CB-CE2 4.38Å; H531-F571 HydrophobicContact CB-CE2 4.37Å; Y534-F571 HydrophobicContact CD1-CB 3.82Å; Y534-F571 AromaticContact CD1-CD2 4Å; Y534-F571 HydrophobicContact CD1-CD2 4Å; Y534-F571 AromaticContact CD1-CG 3.9Å; Y534-F571 HydrophobicContact CD1-CG 3.9Å; Y534-F571 HydrophobicContact CD2-CB 3.53Å; Y534-F571 HydrophobicContact CD2-CG 4.43Å; Y534-F571 HydrophobicContact CE1-CB 4.06Å; Y534-F571 HydrophobicContact CE1-CG 4.32Å; Y534-F571 HydrophobicContact CE2-CB 3.78Å; Y534-F571 HydrophobicContact CG-CB 3.55Å; Y534-F571 AromaticContact CG-CD2 3.92Å; Y534-F571 HydrophobicContact CG-CD2 3.92Å; Y534-F571 AromaticContact CG-CG 3.96Å; Y534-F571 HydrophobicContact CG-CG 3.96Å; E567-F571 HydrophobicContact CG-CD2 4.35Å; E567-F571 HydrophobicContact CG-CE2 3.66Å; E567-F571 HydrophobicContact CG-CZ 3.87Å; E567-F571 WeakPolarHBondContact O-CD2 3.38Å; E567-F571 PolarHBondContact O-N 3.44Å; E567-F571 WeakPolarHBondContact OE1-CZ 3.48Å; L568-F571 PolarHBondContact O-N 2.88Å
572	M	87.5	Confident	89.3	Confident	21 Å²	21	52 Å²	52	10%	0.103	27%	0.274	C	S	.	.	H	α-helix	trans	-93.6	-30.6	-171.8	-59.2	178.7	94.2	0	0	113.4	Y534 W540 L568 K576 L577 R580	Y534-M572 HydrophobicContact CD2-CG 3.63Å; Y534-M572 HydrophobicContact CE2-CG 4.17Å; W540-M572 HydrophobicContact CH2-CE 4.37Å; W540-M572 HydrophobicContact CH2-SD 3.99Å; W540-M572 HydrophobicContact CZ2-CE 4.08Å; W540-M572 HydrophobicContact CZ2-SD 4.15Å; L568-M572 HydrophobicContact CD2-SD 4.42Å; L568-M572 VanDerWaalsContact O-CB 3.32Å; L568-M572 WeakPolarHBondContact O-CB 3.46Å; L568-M572 WeakPolarHBondContact O-CG 3.48Å; L568-M572 PolarHBondContact O-N 3.14Å; M572-K576 HydrophobicContact CB-CB 4.2Å; M572-K576 WeakPolarHBondContact O-CB 3.41Å; M572-K576 WeakPolarHBondContact O-CD 3.36Å; M572-K576 WeakPolarHBondContact O-CG 3.37Å; M572-L577 HydrophobicContact CB-CB 4.48Å; M572-L577 HydrophobicContact SD-CD1 4.04Å; M572-R580 HydrophobicContact CE-CB 4.49Å; M572-R580 HydrophobicContact CE-CG 3.94Å
573	G	90	Very high	88.8	Confident	28 Å²	28	50.6 Å²	50.6	29%	0.289	27%	0.27	S	S	.	.			trans	74.8	147.4	-160	0	0	0	0	0	112.3	C569 S575 K576 L577	C569-G573 VanDerWaalsContact O-CA 3.25Å; C569-G573 WeakPolarHBondContact O-CA 3.36Å; C569-G573 PolarHBondContact O-N 3.26Å; G573-S575 VanDerWaalsContact C-N 3.27Å; G573-S575 PolarHBondContact O-N 3.41Å; G573-S575 VanDerWaalsContact O-N 3.16Å; G573-K576 PolarHBondContact O-N 2.93Å; G573-L577 PolarHBondContact O-N 2.96Å; G573-L577 VanDerWaalsContact O-N 3.13Å
574	L	86.5	Confident	87.9	Confident	66 Å²	66	56.6 Å²	56.6	35%	0.346	30%	0.299	S	S	.	.	H	α-helix	trans	-54.1	-38.8	-173.2	-177.9	63.2	0	0	0	113.6	Q578 L614 L617	L574-Q578 VanDerWaalsContact O-CB 3.32Å; L574-Q578 WeakPolarHBondContact O-CB 3.38Å; L574-Q578 PolarHBondContact O-N 3.01Å; L574-L614 HydrophobicContact CD1-CD2 4.05Å; L574-L617 HydrophobicContact CD1-CD2 3.95Å; L574-L617 HydrophobicContact CD1-CG 3.99Å
575	S	86.2	Confident	87.2	Confident	90 Å²	90	61.3 Å²	61.3	63%	0.629	33%	0.328	S	S	*	.	H	α-helix	trans	-69.7	-39.2	-177.7	52.6	0	0	0	0	113.6	G573 A579	G573-S575 VanDerWaalsContact C-N 3.27Å; G573-S575 PolarHBondContact O-N 3.41Å; G573-S575 VanDerWaalsContact O-N 3.16Å; S575-A579 PolarHBondContact O-N 2.94Å
576	K	88.1	Confident	86.5	Confident	141 Å²	141	62.4 Å²	62.4	61%	0.613	33%	0.334	S	S	*	.	H	α-helix	trans	-72.8	-37.2	175.7	-63	-170.7	-170.1	171.2	0	111.5	M572 G573 A579 R580	M572-K576 HydrophobicContact CB-CB 4.2Å; M572-K576 WeakPolarHBondContact O-CB 3.41Å; M572-K576 WeakPolarHBondContact O-CD 3.36Å; M572-K576 WeakPolarHBondContact O-CG 3.37Å; G573-K576 PolarHBondContact O-N 2.93Å; K576-A579 WeakPolarHBondContact O-CB 3.48Å; K576-A579 PolarHBondContact O-N 2.81Å; K576-R580 PolarHBondContact O-N 2.67Å
577	L	87.9	Confident	85.7	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61.6	-44.5	173	-177.3	59.7	0	0	0	110.8	W540 L568 C569 M572 G573 A579 R580 L581 L617	W540-L577 HydrophobicContact CH2-CD1 4.21Å; W540-L577 HydrophobicContact CZ3-CD1 4.42Å; L568-L577 HydrophobicContact CB-CD1 4.4Å; C569-L577 HydrophobicContact CB-CD2 4.13Å; M572-L577 HydrophobicContact CB-CB 4.48Å; M572-L577 HydrophobicContact SD-CD1 4.04Å; G573-L577 PolarHBondContact O-N 2.96Å; G573-L577 VanDerWaalsContact O-N 3.13Å; L577-A579 VanDerWaalsContact C-N 3.28Å; L577-A579 PolarHBondContact O-N 2.79Å; L577-R580 PolarHBondContact O-N 2.9Å; L577-L581 HydrophobicContact CD1-CD1 3.99Å; L577-L581 HydrophobicContact CD1-CG 4.25Å; L577-L581 HydrophobicContact CG-CD1 3.92Å; L577-L581 WeakPolarHBondContact O-CB 3.2Å; L577-L581 WeakPolarHBondContact O-CG 3.45Å; L577-L581 PolarHBondContact O-N 2.91Å; L577-L617 HydrophobicContact CD2-CD1 4.14Å; L577-L617 HydrophobicContact CG-CD1 4.46Å
578	Q	85.3	Confident	85	Confident	31 Å²	31	63.7 Å²	63.7	15%	0.145	35%	0.345	C	S	.	.	H	α-helix	trans	-67.7	-23.3	174.5	-160.8	-172.2	1.3	0	0	113.5	L574 R582 G616 L617	L574-Q578 VanDerWaalsContact O-CB 3.32Å; L574-Q578 WeakPolarHBondContact O-CB 3.38Å; L574-Q578 PolarHBondContact O-N 3.01Å; Q578-R582 WeakPolarHBondContact O-CB 3.38Å; Q578-R582 WeakPolarHBondContact O-CG 3.46Å; Q578-R582 PolarHBondContact O-NE 2.93Å; Q578-G616 PolarHBondContact NE2-O 3.22Å; Q578-L617 HydrophobicContact CB-CD2 3.67Å; Q578-L617 HydrophobicContact CG-CD2 3.88Å
579	A	86.5	Confident	84.2	Confident	60 Å²	60	66.8 Å²	66.8	50%	0.496	36%	0.358	S	S	.	.	H	α-helix	trans	-74.2	-50	171.8	0	0	0	0	0	111.2	S575 K576 L577 L581 R582 D583	S575-A579 PolarHBondContact O-N 2.94Å; K576-A579 WeakPolarHBondContact O-CB 3.48Å; K576-A579 PolarHBondContact O-N 2.81Å; L577-A579 VanDerWaalsContact C-N 3.28Å; L577-A579 PolarHBondContact O-N 2.79Å; A579-L581 PolarHBondContact O-N 2.94Å; A579-R582 CarbonylContact O-C 3.39Å; A579-R582 PolarHBondContact O-N 3.44Å; A579-R582 VanDerWaalsContact O-N 3.15Å; A579-D583 PolarHBondContact O-N 3.49Å
580	R	83.9	Confident	83.7	Confident	86 Å²	86	65.4 Å²	65.4	33%	0.325	35%	0.349	S	S	.	.	H	α-helix	trans	-64.4	-38.1	178	-75.2	-69.5	-165	90.9	2.1	113.1	D536 M572 K576 L577 R582 D583	D536-R580 IonicContact OD1-CZ 3.61Å; D536-R580 IonicContact OD1-NH1 3.79Å; D536-R580 PolarHBondContact OD1-NH1 3.3Å; D536-R580 IonicContact OD1-NH2 2.65Å; D536-R580 IonicContact OD2-CZ 3.78Å; D536-R580 IonicContact OD2-NH1 2.88Å; D536-R580 PolarHBondContact OD2-NH1 2.89Å; D536-R580 IonicContact OD2-NH2 3.16Å; D536-R580 PolarHBondContact OD2-NH2 3.46Å; M572-R580 HydrophobicContact CE-CB 4.49Å; M572-R580 HydrophobicContact CE-CG 3.94Å; K576-R580 PolarHBondContact O-N 2.67Å; L577-R580 PolarHBondContact O-N 2.9Å; R580-R582 PolarHBondContact O-N 3.12Å; R580-D583 WeakPolarHBondContact O-CB 3.33Å; R580-D583 PolarHBondContact O-N 3.48Å
581	L	83.5	Confident	82.9	Confident	11 Å²	11	64.1 Å²	64.1	6%	0.058	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-10.7	175.6	-72	171.5	0	0	0	114	L577 A579 Q587 F590 L617	L577-L581 HydrophobicContact CD1-CD1 3.99Å; L577-L581 HydrophobicContact CD1-CG 4.25Å; L577-L581 HydrophobicContact CG-CD1 3.92Å; L577-L581 WeakPolarHBondContact O-CB 3.2Å; L577-L581 WeakPolarHBondContact O-CG 3.45Å; L577-L581 PolarHBondContact O-N 2.91Å; A579-L581 PolarHBondContact O-N 2.94Å; L581-Q587 PolarHBondContact O-NE2 2.68Å; L581-F590 HydrophobicContact CD2-CD1 4.35Å; L581-F590 HydrophobicContact CD2-CD2 4.17Å; L581-F590 HydrophobicContact CD2-CE1 4.04Å; L581-F590 HydrophobicContact CD2-CE2 3.83Å; L581-F590 HydrophobicContact CD2-CG 4.43Å; L581-F590 HydrophobicContact CD2-CZ 3.77Å; L581-L617 HydrophobicContact CD1-CD1 3.77Å; L581-L617 HydrophobicContact CD1-CD2 3.98Å; L581-L617 HydrophobicContact CD1-CG 4.42Å
582	R	81.3	Confident	82.2	Confident	124 Å²	124	61.8 Å²	61.8	47%	0.468	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	12.1	175.6	-66.2	-171.2	-62.6	-174.2	2.4	113.3	Q578 A579 R580 E584 D620	Q578-R582 WeakPolarHBondContact O-CB 3.38Å; Q578-R582 WeakPolarHBondContact O-CG 3.46Å; Q578-R582 PolarHBondContact O-NE 2.93Å; A579-R582 CarbonylContact O-C 3.39Å; A579-R582 PolarHBondContact O-N 3.44Å; A579-R582 VanDerWaalsContact O-N 3.15Å; R580-R582 PolarHBondContact O-N 3.12Å; R582-E584 PolarHBondContact O-N 2.93Å; R582-D620 WeakPolarHBondContact CD-OD2 3.47Å; R582-D620 IonicContact NH1-OD1 3.71Å; R582-D620 PolarHBondContact NH1-OD1 3.47Å; R582-D620 IonicContact NH1-OD2 2.69Å
583	D	83.8	Confident	81.8	Confident	65 Å²	65	61 Å²	61	35%	0.348	33%	0.334	S	S	.	.			trans	-63.1	128	166.3	-163.1	-50.2	0	0	0	109	A579 R580 T585 L586 Q587	A579-D583 PolarHBondContact O-N 3.49Å; R580-D583 WeakPolarHBondContact O-CB 3.33Å; R580-D583 PolarHBondContact O-N 3.48Å; D583-T585 PolarHBondContact O-N 3.43Å; D583-T585 WeakPolarHBondContact OD1-CB 3.2Å; D583-T585 PolarHBondContact OD1-N 2.9Å; D583-T585 PolarHBondContact OD1-OG1 3.49Å; D583-L586 HydrophobicContact CB-CB 4.39Å; D583-L586 HydrophobicContact CB-CD1 4.24Å; D583-L586 HydrophobicContact CB-CG 4.28Å; D583-L586 PolarHBondContact O-N 3.1Å; D583-Q587 WeakPolarHBondContact O-CG 3.33Å; D583-Q587 PolarHBondContact O-N 3.01Å; D583-Q587 PolarHBondContact O-NE2 3.45Å
584	E	73.8	Confident	81.4	Confident	174 Å²	174	60.9 Å²	60.9	81%	0.813	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-62.9	-34.9	-178.3	-171.1	170.2	-171.2	0	0	111.3	R582 L586 Q587	R582-E584 PolarHBondContact O-N 2.93Å; E584-L586 PolarHBondContact O-N 3.08Å; E584-Q587 PolarHBondContact O-N 3.01Å
585	T	79.2	Confident	81.1	Confident	99 Å²	99	58.1 Å²	58.1	61%	0.607	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-68.3	-22.3	-179.6	65.4	0	0	0	0	113.4	D583	D583-T585 PolarHBondContact O-N 3.43Å; D583-T585 WeakPolarHBondContact OD1-CB 3.2Å; D583-T585 PolarHBondContact OD1-N 2.9Å; D583-T585 PolarHBondContact OD1-OG1 3.49Å
586	L	78.5	Confident	80.7	Confident	25 Å²	25	59.4 Å²	59.4	13%	0.131	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-102.8	-9.9	-177.1	-60.4	179.1	0	0	0	114	W540 D583 E584 P588 F589 F590	W540-L586 HydrophobicContact CB-CD1 3.99Å; W540-L586 HydrophobicContact CB-CD2 4.25Å; W540-L586 HydrophobicContact CG-CD1 4.34Å; D583-L586 HydrophobicContact CB-CB 4.39Å; D583-L586 HydrophobicContact CB-CD1 4.24Å; D583-L586 HydrophobicContact CB-CG 4.28Å; D583-L586 PolarHBondContact O-N 3.1Å; E584-L586 PolarHBondContact O-N 3.08Å; L586-P588 VanDerWaalsContact C-CD 3.41Å; L586-F589 HydrophobicContact CD2-CD2 4.21Å; L586-F589 HydrophobicContact CD2-CE2 4.46Å; L586-F589 PolarHBondContact O-N 3.38Å; L586-F590 HydrophobicContact CB-CD2 4.12Å; L586-F590 HydrophobicContact CB-CE2 3.42Å; L586-F590 VanDerWaalsContact CB-CE2 3.42Å; L586-F590 HydrophobicContact CB-CZ 3.86Å; L586-F590 HydrophobicContact CD1-CE2 4.32Å; L586-F590 HydrophobicContact CD1-CZ 4.21Å; L586-F590 VanDerWaalsContact O-CD2 3.27Å; L586-F590 WeakPolarHBondContact O-CD2 3.36Å; L586-F590 PolarHBondContact O-N 3.19Å
587	Q	76.4	Confident	80.2	Confident	50 Å²	50	59.9 Å²	59.9	23%	0.234	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-42.4	177.2	-64.7	-52.8	-73.5	0	0	115.5	L581 D583 E584 F589 F590 A591	L581-Q587 PolarHBondContact O-NE2 2.68Å; D583-Q587 WeakPolarHBondContact O-CG 3.33Å; D583-Q587 PolarHBondContact O-N 3.01Å; D583-Q587 PolarHBondContact O-NE2 3.45Å; E584-Q587 PolarHBondContact O-N 3.01Å; Q587-F589 PolarHBondContact O-N 3.34Å; Q587-F590 PolarHBondContact O-N 2.93Å; Q587-F590 VanDerWaalsContact O-N 3.16Å; Q587-A591 PolarHBondContact O-N 3.08Å
588	P	78.7	Confident	79.9	Confident	85 Å²	85	63 Å²	63	55%	0.552	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-42.4	-178.7	21.8	-33	0	0	0	112.6	L586 F590 A591	L586-P588 VanDerWaalsContact C-CD 3.41Å; P588-F590 PolarHBondContact O-N 3.07Å; P588-A591 VanDerWaalsContact O-CB 3.25Å; P588-A591 WeakPolarHBondContact O-CB 3.25Å; P588-A591 PolarHBondContact O-N 3.01Å; P588-A591 VanDerWaalsContact O-N 3.14Å
589	F	77.1	Confident	79.9	Confident	65 Å²	65	65 Å²	65	29%	0.285	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.7	178.5	-49.8	-70	0	0	0	112.8	F543 E544 L586 Q587	F543-F589 CarbonylContact C-O 3.11Å; E544-F589 WeakPolarHBondContact CA-O 3.29Å; E544-F589 HydrophobicContact CB-CD1 4.29Å; E544-F589 PolarHBondContact N-O 3.07Å; L586-F589 HydrophobicContact CD2-CD2 4.21Å; L586-F589 HydrophobicContact CD2-CE2 4.46Å; L586-F589 PolarHBondContact O-N 3.38Å; Q587-F589 PolarHBondContact O-N 3.34Å
590	F	81.1	Confident	79.9	Confident	1 Å²	1	69.4 Å²	69.4	0%	0.004	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	1.2	175.6	-56.4	-36.7	0	0	0	114.1	W540 F543 L581 L586 Q587 P588 G592 L593 L594	W540-F590 HydrophobicContact CB-CZ 4.32Å; W540-F590 HydrophobicContact CE3-CE1 4.39Å; W540-F590 HydrophobicContact CE3-CZ 4.14Å; F543-F590 HydrophobicContact CB-CD1 4Å; F543-F590 HydrophobicContact CB-CE1 4.11Å; F543-F590 AromaticContact CD2-CE1 3.9Å; F543-F590 HydrophobicContact CD2-CE1 3.9Å; F543-F590 HydrophobicContact CG-CD1 4.43Å; F543-F590 HydrophobicContact CG-CE1 4.22Å; L581-F590 HydrophobicContact CD2-CD1 4.35Å; L581-F590 HydrophobicContact CD2-CD2 4.17Å; L581-F590 HydrophobicContact CD2-CE1 4.04Å; L581-F590 HydrophobicContact CD2-CE2 3.83Å; L581-F590 HydrophobicContact CD2-CG 4.43Å; L581-F590 HydrophobicContact CD2-CZ 3.77Å; L586-F590 HydrophobicContact CB-CD2 4.12Å; L586-F590 HydrophobicContact CB-CE2 3.42Å; L586-F590 VanDerWaalsContact CB-CE2 3.42Å; L586-F590 HydrophobicContact CB-CZ 3.86Å; L586-F590 HydrophobicContact CD1-CE2 4.32Å; L586-F590 HydrophobicContact CD1-CZ 4.21Å; L586-F590 VanDerWaalsContact O-CD2 3.27Å; L586-F590 WeakPolarHBondContact O-CD2 3.36Å; L586-F590 PolarHBondContact O-N 3.19Å; Q587-F590 PolarHBondContact O-N 2.93Å; Q587-F590 VanDerWaalsContact O-N 3.16Å; P588-F590 PolarHBondContact O-N 3.07Å; F590-G592 VanDerWaalsContact C-N 3.29Å; F590-G592 PolarHBondContact O-N 3.19Å; F590-L593 HydrophobicContact CD1-CD2 4.42Å; F590-L593 PolarHBondContact O-N 3.37Å; F590-L594 HydrophobicContact CB-CD1 4.33Å; F590-L594 PolarHBondContact O-N 3.31Å
591	A	75.3	Confident	80	Confident	58 Å²	58	66.5 Å²	66.5	48%	0.479	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-37.8	-178.3	0	0	0	0	0	113.3	Q587 P588 P595	Q587-A591 PolarHBondContact O-N 3.08Å; P588-A591 VanDerWaalsContact O-CB 3.25Å; P588-A591 WeakPolarHBondContact O-CB 3.25Å; P588-A591 PolarHBondContact O-N 3.01Å; P588-A591 VanDerWaalsContact O-N 3.14Å; A591-P595 WeakPolarHBondContact O-CA 3.35Å
592	G	76	Confident	80.2	Confident	18 Å²	18	66.1 Å²	66.1	19%	0.186	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-28.5	175	0	0	0	0	0	114.3	V546 R547 L548 F590	V546-G592 CarbonylContact O-C 3.6Å; V546-G592 WeakPolarHBondContact O-CA 3.32Å; R547-G592 CarbonylContact C-O 3.56Å; R547-G592 WeakPolarHBondContact CA-O 3.4Å; L548-G592 PolarHBondContact N-O 3.26Å; F590-G592 VanDerWaalsContact C-N 3.29Å; F590-G592 PolarHBondContact O-N 3.19Å
593	L	80	Confident	80.5	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.016	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-34.1	-178.8	-179.4	70	0	0	0	112.5	V546 L548 F565 F590 P595	V546-L593 HydrophobicContact CG1-CD1 4.42Å; V546-L593 PolarHBondContact O-N 2.97Å; L548-L593 HydrophobicContact CD2-CD1 4.32Å; F565-L593 HydrophobicContact CE1-CD2 4.32Å; F565-L593 HydrophobicContact CE2-CD1 3.81Å; F565-L593 HydrophobicContact CE2-CD2 4.35Å; F565-L593 HydrophobicContact CZ-CD1 3.89Å; F565-L593 HydrophobicContact CZ-CD2 3.58Å; F565-L593 HydrophobicContact CZ-CG 4.39Å; F590-L593 HydrophobicContact CD1-CD2 4.42Å; F590-L593 PolarHBondContact O-N 3.37Å; L593-P595 WeakPolarHBondContact O-CD 3.38Å
594	L	81	Confident	80.8	Confident	26 Å²	26	65.9 Å²	65.9	14%	0.136	34%	0.338	C	S	.	.	S	Bend	trans	-122.1	58.6	-176.2	-61.1	176.9	0	0	0	110.7	F590 R596 L609 L621	F590-L594 HydrophobicContact CB-CD1 4.33Å; F590-L594 PolarHBondContact O-N 3.31Å; L594-R596 WeakPolarHBondContact O-CG 3.43Å; L594-R596 PolarHBondContact O-N 2.89Å; L594-L609 HydrophobicContact CD2-CD1 4.28Å; L594-L621 HydrophobicContact CB-CD2 4.21Å; L594-L621 HydrophobicContact CD2-CD1 3.85Å; L594-L621 HydrophobicContact CD2-CG 4.37Å
595	P	79.6	Confident	81.5	Confident	8 Å²	8	57.6 Å²	57.6	5%	0.052	30%	0.299	C	S	.	.			trans	-61.7	122.4	-170.5	24.3	-34.8	0	0	0	112.4	A591 L593 D601 T602 A605	A591-P595 WeakPolarHBondContact O-CA 3.35Å; L593-P595 WeakPolarHBondContact O-CD 3.38Å; P595-D601 HydrophobicContact CB-CB 4.15Å; P595-D601 HydrophobicContact CG-CB 3.87Å; P595-T602 WeakPolarHBondContact O-CB 3.49Å; P595-T602 PolarHBondContact O-OG1 3.1Å; P595-A605 HydrophobicContact CG-CB 4.33Å
596	R	77.2	Confident	81.9	Confident	117 Å²	117	53.5 Å²	53.5	44%	0.442	27%	0.274	S	S	.	.			trans	-101	-15	-178.2	-60.1	-165.8	-168.3	-163.7	6.7	113.8	L594 L621 H624	L594-R596 WeakPolarHBondContact O-CG 3.43Å; L594-R596 PolarHBondContact O-N 2.89Å; R596-L621 HydrophobicContact CG-CD2 4.45Å; R596-H624 PolarHBondContact O-NE2 2.93Å
597	D	78.6	Confident	82.6	Confident	151 Å²	151	57.2 Å²	57.2	81%	0.807	29%	0.294	S	S	*	.	S	Bend	trans	-84.3	-47.4	-169.5	-42.8	-65.8	0	0	0	113
598	N	82.2	Confident	83.2	Confident	65 Å²	65	56.1 Å²	56.1	35%	0.348	29%	0.288	S	S	.	.			trans	-104.6	114.6	-176.3	-178.5	6.6	0	0	0	111.2	K600 D601 T602	N598-K600 PolarHBondContact O-N 3.07Å; N598-K600 PolarHBondContact OD1-N 2.89Å; N598-K600 VanDerWaalsContact OD1-N 3.13Å; N598-D601 HydrophobicContact CB-CB 4.45Å; N598-D601 WeakPolarHBondContact CB-OD2 3.41Å; N598-D601 PolarHBondContact ND2-OD2 3.03Å; N598-D601 PolarHBondContact O-N 3.19Å; N598-T602 PolarHBondContact O-N 2.82Å; N598-T602 PolarHBondContact O-OG1 2.85Å; N598-T602 VanDerWaalsContact O-OG1 3.11Å
599	P	84.4	Confident	83.7	Confident	73 Å²	73	52.3 Å²	52.3	47%	0.474	26%	0.263	S	S	.	.	H	α-helix	trans	-67.2	-5.3	-178.4	28.5	-36.5	0	0	0	114.4	R603	P599-R603 VanDerWaalsContact O-CD 3.22Å; P599-R603 WeakPolarHBondContact O-CD 3.5Å; P599-R603 WeakPolarHBondContact O-CG 3.45Å; P599-R603 PolarHBondContact O-NE 3.24Å
600	K	86.3	Confident	84.4	Confident	154 Å²	154	51.8 Å²	51.8	67%	0.67	27%	0.265	S	S	*	.	H	α-helix	trans	-76	-52.4	165.5	-66.8	-174.5	176.6	-175.6	0	111.2	N598 R603 F604	N598-K600 PolarHBondContact O-N 3.07Å; N598-K600 PolarHBondContact OD1-N 2.89Å; N598-K600 VanDerWaalsContact OD1-N 3.13Å; K600-R603 WeakPolarHBondContact O-CB 3.49Å; K600-R603 PolarHBondContact O-N 2.8Å; K600-R603 VanDerWaalsContact O-N 3.13Å; K600-F604 PolarHBondContact O-N 3.35Å
601	D	87.4	Confident	84.8	Confident	25 Å²	25	57.3 Å²	57.3	13%	0.134	30%	0.299	C	S	.	.	H	α-helix	trans	-69	-36.3	-177.1	-58.5	-48.7	0	0	0	111.1	N549 P595 N598 R603 F604 A605	N549-D601 WeakPolarHBondContact OD1-CB 3.37Å; N549-D601 VanDerWaalsContact OD1-CG 3.32Å; P595-D601 HydrophobicContact CB-CB 4.15Å; P595-D601 HydrophobicContact CG-CB 3.87Å; N598-D601 HydrophobicContact CB-CB 4.45Å; N598-D601 WeakPolarHBondContact CB-OD2 3.41Å; N598-D601 PolarHBondContact ND2-OD2 3.03Å; N598-D601 PolarHBondContact O-N 3.19Å; D601-R603 VanDerWaalsContact C-N 3.29Å; D601-R603 PolarHBondContact O-N 3.46Å; D601-F604 WeakPolarHBondContact O-CB 3.5Å; D601-F604 PolarHBondContact O-N 2.83Å; D601-F604 VanDerWaalsContact O-N 3.12Å; D601-A605 WeakPolarHBondContact O-CB 3.26Å; D601-A605 PolarHBondContact O-N 2.84Å
602	T	86.1	Confident	85.5	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-56.2	-41	170	-44.4	0	0	0	0	112.2	P595 N598 I606 L621 L625	P595-T602 WeakPolarHBondContact O-CB 3.49Å; P595-T602 PolarHBondContact O-OG1 3.1Å; N598-T602 PolarHBondContact O-N 2.82Å; N598-T602 PolarHBondContact O-OG1 2.85Å; N598-T602 VanDerWaalsContact O-OG1 3.11Å; T602-I606 HydrophobicContact CG2-CD1 4.17Å; T602-I606 WeakPolarHBondContact O-CD1 3.46Å; T602-I606 WeakPolarHBondContact O-CG1 3.45Å; T602-I606 PolarHBondContact O-N 3.19Å; T602-I606 VanDerWaalsContact O-N 3.07Å; T602-L621 HydrophobicContact CG2-CB 4.15Å; T602-L621 HydrophobicContact CG2-CD2 4.26Å; T602-L625 HydrophobicContact CG2-CD1 4.37Å
603	R	88.1	Confident	86	Confident	148 Å²	148	57.4 Å²	57.4	56%	0.558	30%	0.301	S	S	*	.	H	α-helix	trans	-70	-39.2	176.6	-69.9	169.8	-167	-168.1	3.7	111.7	P599 K600 D601 I606 N607 L625	P599-R603 VanDerWaalsContact O-CD 3.22Å; P599-R603 WeakPolarHBondContact O-CD 3.5Å; P599-R603 WeakPolarHBondContact O-CG 3.45Å; P599-R603 PolarHBondContact O-NE 3.24Å; K600-R603 WeakPolarHBondContact O-CB 3.49Å; K600-R603 PolarHBondContact O-N 2.8Å; K600-R603 VanDerWaalsContact O-N 3.13Å; D601-R603 VanDerWaalsContact C-N 3.29Å; D601-R603 PolarHBondContact O-N 3.46Å; R603-I606 PolarHBondContact O-N 2.82Å; R603-N607 WeakPolarHBondContact O-CB 3.32Å; R603-N607 PolarHBondContact O-N 2.68Å; R603-N607 PolarHBondContact O-ND2 3.28Å; R603-L625 HydrophobicContact CG-CD1 3.65Å
604	F	89.5	Confident	86.3	Confident	37 Å²	37	57.6 Å²	57.6	16%	0.162	30%	0.303	C	S	.	.	H	α-helix	trans	-60.7	-46.9	175.8	-178.1	-92.4	0	0	0	110.9	L548 E550 K600 D601 N607 F608	L548-F604 HydrophobicContact CD1-CD1 4.42Å; L548-F604 HydrophobicContact CD1-CE1 3.93Å; L548-F604 HydrophobicContact CG-CD1 4.23Å; L548-F604 HydrophobicContact CG-CE1 4.23Å; L548-F604 WeakPolarHBondContact O-CD1 3.25Å; E550-F604 HydrophobicContact CB-CD2 4.11Å; E550-F604 HydrophobicContact CB-CE2 4.25Å; K600-F604 PolarHBondContact O-N 3.35Å; D601-F604 WeakPolarHBondContact O-CB 3.5Å; D601-F604 PolarHBondContact O-N 2.83Å; D601-F604 VanDerWaalsContact O-N 3.12Å; F604-N607 PolarHBondContact O-N 3.31Å; F604-F608 WeakPolarHBondContact O-CB 3.47Å; F604-F608 PolarHBondContact O-N 2.68Å
605	A	88.5	Confident	86.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.9	-46.6	175.3	0	0	0	0	0	112.9	L548 P595 D601 N607 F608 L609 L621	L548-A605 HydrophobicContact CD2-CB 3.72Å; L548-A605 HydrophobicContact CG-CB 4.27Å; P595-A605 HydrophobicContact CG-CB 4.33Å; D601-A605 WeakPolarHBondContact O-CB 3.26Å; D601-A605 PolarHBondContact O-N 2.84Å; A605-N607 PolarHBondContact O-N 2.91Å; A605-F608 PolarHBondContact O-N 2.84Å; A605-L609 WeakPolarHBondContact O-CB 3.42Å; A605-L609 WeakPolarHBondContact O-CG 3.47Å; A605-L609 PolarHBondContact O-N 3.2Å; A605-L621 HydrophobicContact CB-CD1 4.17Å
606	I	89.1	Confident	86.5	Confident	13 Å²	13	58.3 Å²	58.3	7%	0.067	32%	0.317	C	S	.	.	H	α-helix	trans	-60.1	-45.7	175.5	-67.3	164.1	0	0	0	111.2	T602 R603 T610 T618 L621 R622 L625	T602-I606 HydrophobicContact CG2-CD1 4.17Å; T602-I606 WeakPolarHBondContact O-CD1 3.46Å; T602-I606 WeakPolarHBondContact O-CG1 3.45Å; T602-I606 PolarHBondContact O-N 3.19Å; T602-I606 VanDerWaalsContact O-N 3.07Å; R603-I606 PolarHBondContact O-N 2.82Å; I606-T610 WeakPolarHBondContact O-CB 3.26Å; I606-T610 WeakPolarHBondContact O-CG2 3.47Å; I606-T610 PolarHBondContact O-N 3.18Å; I606-T610 PolarHBondContact O-OG1 2.82Å; I606-T618 HydrophobicContact CG2-CG2 4.46Å; I606-L621 HydrophobicContact CD1-CB 3.98Å; I606-L621 HydrophobicContact CG1-CB 3.87Å; I606-L621 HydrophobicContact CG1-CD1 4.22Å; I606-R622 HydrophobicContact CD1-CG 4.14Å; I606-L625 HydrophobicContact CD1-CD1 4.23Å
607	N	91.4	Very high	86.7	Confident	103 Å²	103	53.4 Å²	53.4	55%	0.551	30%	0.3	S	S	*	.	H	α-helix	trans	-64.8	-40.6	179	-72.2	-11.5	0	0	0	111.7	R603 F604 A605 T610 T611	R603-N607 WeakPolarHBondContact O-CB 3.32Å; R603-N607 PolarHBondContact O-N 2.68Å; R603-N607 PolarHBondContact O-ND2 3.28Å; F604-N607 PolarHBondContact O-N 3.31Å; A605-N607 PolarHBondContact O-N 2.91Å; N607-T610 WeakPolarHBondContact CA-OG1 3.36Å; N607-T610 PolarHBondContact O-OG1 3.27Å; N607-T611 WeakPolarHBondContact O-CB 3.47Å; N607-T611 PolarHBondContact O-N 2.93Å; N607-T611 PolarHBondContact O-OG1 3.42Å
608	F	90.8	Very high	87	Confident	26 Å²	26	46.2 Å²	46.2	11%	0.114	26%	0.261	C	S	.	.	H	α-helix	trans	-64.4	-52.4	177.4	-179.7	-113.8	0	0	0	112.1	L548 R558 L561 F604 A605 T610 T611 I612	L548-F608 HydrophobicContact CD1-CD1 3.56Å; L548-F608 HydrophobicContact CD1-CE1 3.82Å; L548-F608 HydrophobicContact CD1-CG 4.07Å; L548-F608 HydrophobicContact CD2-CD1 3.77Å; L548-F608 HydrophobicContact CD2-CE1 4.44Å; L548-F608 HydrophobicContact CG-CD1 4.28Å; R558-F608 HydrophobicContact CB-CE2 3.73Å; R558-F608 HydrophobicContact CB-CZ 4.27Å; R558-F608 HydrophobicContact CG-CE2 4.05Å; R558-F608 WeakPolarHBondContact O-CZ 3.35Å; L561-F608 HydrophobicContact CB-CE1 4.06Å; L561-F608 HydrophobicContact CB-CZ 3.98Å; F604-F608 WeakPolarHBondContact O-CB 3.47Å; F604-F608 PolarHBondContact O-N 2.68Å; A605-F608 PolarHBondContact O-N 2.84Å; F608-T610 VanDerWaalsContact C-N 3.34Å; F608-T610 PolarHBondContact O-N 2.82Å; F608-T611 WeakPolarHBondContact O-CB 3.35Å; F608-T611 PolarHBondContact O-N 3.38Å; F608-I612 HydrophobicContact CD1-CD1 3.82Å; F608-I612 HydrophobicContact CD2-CD1 4.44Å; F608-I612 HydrophobicContact CE1-CD1 3.45Å; F608-I612 VanDerWaalsContact CE1-CD1 3.45Å; F608-I612 HydrophobicContact CE2-CD1 4.07Å; F608-I612 HydrophobicContact CE2-CG1 4.49Å; F608-I612 HydrophobicContact CG-CD1 4.33Å; F608-I612 HydrophobicContact CZ-CD1 3.59Å; F608-I612 HydrophobicContact CZ-CG1 4.44Å; F608-I612 WeakPolarHBondContact O-CG1 3.48Å; F608-I612 PolarHBondContact O-N 3.46Å
609	L	88.9	Confident	87	Confident	6 Å²	6	47 Å²	47	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-35.9	-178.6	-71.4	170	0	0	0	112.6	L594 A605 I612 G613 L614 T618	L594-L609 HydrophobicContact CD2-CD1 4.28Å; A605-L609 WeakPolarHBondContact O-CB 3.42Å; A605-L609 WeakPolarHBondContact O-CG 3.47Å; A605-L609 PolarHBondContact O-N 3.2Å; L609-I612 HydrophobicContact CD2-CD1 4.5Å; L609-I612 PolarHBondContact O-N 2.99Å; L609-G613 PolarHBondContact O-N 3.25Å; L609-L614 PolarHBondContact O-N 2.99Å; L609-T618 HydrophobicContact CB-CG2 3.53Å; L609-T618 HydrophobicContact CD1-CG2 3.94Å; L609-T618 HydrophobicContact CG-CG2 4.4Å
610	T	90.5	Very high	86.9	Confident	54 Å²	54	46 Å²	46	33%	0.331	26%	0.256	S	S	.	.	H	α-helix	trans	-68.1	-35.7	171.1	50.6	0	0	0	0	113.2	I606 N607 F608 I612 G613 T618	I606-T610 WeakPolarHBondContact O-CB 3.26Å; I606-T610 WeakPolarHBondContact O-CG2 3.47Å; I606-T610 PolarHBondContact O-N 3.18Å; I606-T610 PolarHBondContact O-OG1 2.82Å; N607-T610 WeakPolarHBondContact CA-OG1 3.36Å; N607-T610 PolarHBondContact O-OG1 3.27Å; F608-T610 VanDerWaalsContact C-N 3.34Å; F608-T610 PolarHBondContact O-N 2.82Å; T610-I612 VanDerWaalsContact C-N 3.3Å; T610-I612 PolarHBondContact O-N 3.23Å; T610-G613 WeakPolarHBondContact O-CA 3.37Å; T610-G613 PolarHBondContact O-N 3.08Å; T610-T618 HydrophobicContact CG2-CG2 4.47Å
611	T	90.7	Very high	86.8	Confident	117 Å²	117	38.9 Å²	38.9	72%	0.718	23%	0.225	S	C	*	.	H	α-helix	trans	-68.7	-27.1	175.7	-57.1	0	0	0	0	112.7	N607 F608 G613	N607-T611 WeakPolarHBondContact O-CB 3.47Å; N607-T611 PolarHBondContact O-N 2.93Å; N607-T611 PolarHBondContact O-OG1 3.42Å; F608-T611 WeakPolarHBondContact O-CB 3.35Å; F608-T611 PolarHBondContact O-N 3.38Å; T611-G613 VanDerWaalsContact C-N 3.31Å
612	I	89.5	Confident	86.7	Confident	17 Å²	17	42.6 Å²	42.6	9%	0.087	24%	0.237	C	C	.	.	H	α-helix	trans	-72.6	-27.2	169.2	-63.6	166.6	0	0	0	111.3	K562 L566 F608 L609 T610 L614	K562-I612 HydrophobicContact CB-CD1 4.18Å; K562-I612 HydrophobicContact CB-CG1 4.03Å; K562-I612 HydrophobicContact CG-CG1 4.09Å; K562-I612 HydrophobicContact CG-CG2 4.41Å; L566-I612 HydrophobicContact CD1-CG2 4.22Å; L566-I612 HydrophobicContact CD2-CG2 3.77Å; L566-I612 HydrophobicContact CG-CG2 3.68Å; F608-I612 HydrophobicContact CD1-CD1 3.82Å; F608-I612 HydrophobicContact CD2-CD1 4.44Å; F608-I612 HydrophobicContact CE1-CD1 3.45Å; F608-I612 VanDerWaalsContact CE1-CD1 3.45Å; F608-I612 HydrophobicContact CE2-CD1 4.07Å; F608-I612 HydrophobicContact CE2-CG1 4.49Å; F608-I612 HydrophobicContact CG-CD1 4.33Å; F608-I612 HydrophobicContact CZ-CD1 3.59Å; F608-I612 HydrophobicContact CZ-CG1 4.44Å; F608-I612 WeakPolarHBondContact O-CG1 3.48Å; F608-I612 PolarHBondContact O-N 3.46Å; L609-I612 HydrophobicContact CD2-CD1 4.5Å; L609-I612 PolarHBondContact O-N 2.99Å; T610-I612 VanDerWaalsContact C-N 3.3Å; T610-I612 PolarHBondContact O-N 3.23Å; I612-L614 HydrophobicContact CG2-CD1 3.81Å; I612-L614 HydrophobicContact CG2-CG 3.95Å
613	G	87	Confident	86.7	Confident	60 Å²	60	48.4 Å²	48.4	62%	0.619	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.2	-2.7	-173.8	0	0	0	0	0	114.1	L609 T610 T611 G615	L609-G613 PolarHBondContact O-N 3.25Å; T610-G613 WeakPolarHBondContact O-CA 3.37Å; T610-G613 PolarHBondContact O-N 3.08Å; T611-G613 VanDerWaalsContact C-N 3.31Å; G613-G615 PolarHBondContact O-N 3.31Å; G613-G615 VanDerWaalsContact O-N 3.14Å
614	L	86.5	Confident	86.4	Confident	8 Å²	8	44.1 Å²	44.1	4%	0.042	25%	0.25	C	S	.	.			trans	-89.8	39.3	-177.1	-60.5	173.2	0	0	0	112.3	F565 C569 L574 L609 I612 G616 L617	F565-L614 HydrophobicContact CB-CD1 3.55Å; C569-L614 HydrophobicContact CB-CD2 3.74Å; C569-L614 VanDerWaalsContact SG-CD2 3.58Å; L574-L614 HydrophobicContact CD1-CD2 4.05Å; L609-L614 PolarHBondContact O-N 2.99Å; I612-L614 HydrophobicContact CG2-CD1 3.81Å; I612-L614 HydrophobicContact CG2-CG 3.95Å; L614-G616 PolarHBondContact O-N 3.45Å; L614-G616 VanDerWaalsContact O-N 3.07Å; L614-L617 HydrophobicContact CB-CD1 4.06Å; L614-L617 HydrophobicContact CB-CG 4.37Å; L614-L617 HydrophobicContact CD1-CD1 4.41Å; L614-L617 WeakPolarHBondContact O-CB 3.49Å; L614-L617 PolarHBondContact O-N 3.42Å
615	G	82.5	Confident	86.2	Confident	25 Å²	25	44.3 Å²	44.3	26%	0.258	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-57.7	-25.8	-174.8	0	0	0	0	0	114.6	G613 L617 T618	G613-G615 PolarHBondContact O-N 3.31Å; G613-G615 VanDerWaalsContact O-N 3.14Å; G615-L617 PolarHBondContact O-N 3.35Å; G615-T618 WeakPolarHBondContact O-CB 3.29Å; G615-T618 PolarHBondContact O-N 3Å; G615-T618 PolarHBondContact O-OG1 3.46Å
616	G	82.1	Confident	86	Confident	23 Å²	23	49.8 Å²	49.8	24%	0.237	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-62	-26.1	175.5	0	0	0	0	0	114.2	Q578 L614 T618	Q578-G616 PolarHBondContact NE2-O 3.22Å; L614-G616 PolarHBondContact O-N 3.45Å; L614-G616 VanDerWaalsContact O-N 3.07Å; G616-T618 PolarHBondContact O-N 3.24Å
617	L	81.4	Confident	85.8	Confident	15 Å²	15	51.8 Å²	51.8	8%	0.079	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-73.8	-10	174.3	-55.9	-178	0	0	0	113	L574 L577 Q578 L581 L614 G615	L574-L617 HydrophobicContact CD1-CD2 3.95Å; L574-L617 HydrophobicContact CD1-CG 3.99Å; L577-L617 HydrophobicContact CD2-CD1 4.14Å; L577-L617 HydrophobicContact CG-CD1 4.46Å; Q578-L617 HydrophobicContact CB-CD2 3.67Å; Q578-L617 HydrophobicContact CG-CD2 3.88Å; L581-L617 HydrophobicContact CD1-CD1 3.77Å; L581-L617 HydrophobicContact CD1-CD2 3.98Å; L581-L617 HydrophobicContact CD1-CG 4.42Å; L614-L617 HydrophobicContact CB-CD1 4.06Å; L614-L617 HydrophobicContact CB-CG 4.37Å; L614-L617 HydrophobicContact CD1-CD1 4.41Å; L614-L617 WeakPolarHBondContact O-CB 3.49Å; L614-L617 PolarHBondContact O-N 3.42Å; G615-L617 PolarHBondContact O-N 3.35Å
618	T	84.6	Confident	85.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-95.9	3.5	-174.2	69.8	0	0	0	0	114.4	I606 L609 T610 G615 G616 R622	I606-T618 HydrophobicContact CG2-CG2 4.46Å; L609-T618 HydrophobicContact CB-CG2 3.53Å; L609-T618 HydrophobicContact CD1-CG2 3.94Å; L609-T618 HydrophobicContact CG-CG2 4.4Å; T610-T618 HydrophobicContact CG2-CG2 4.47Å; G615-T618 WeakPolarHBondContact O-CB 3.29Å; G615-T618 PolarHBondContact O-N 3Å; G615-T618 PolarHBondContact O-OG1 3.46Å; G616-T618 PolarHBondContact O-N 3.24Å; T618-R622 VanDerWaalsContact O-CD 3.32Å; T618-R622 WeakPolarHBondContact O-CD 3.5Å; T618-R622 WeakPolarHBondContact O-CG 3.41Å; T618-R622 PolarHBondContact O-N 3.4Å; T618-R622 PolarHBondContact OG1-NE 2.87Å; T618-R622 PolarHBondContact OG1-NH2 2.95Å
619	L	82.6	Confident	84.7	Confident	82 Å²	82	56 Å²	56	43%	0.429	31%	0.312	S	S	.	.	H	α-helix	trans	-61.7	-56.5	-177.4	-66.6	174.9	0	0	0	111.4	L621 R622 E623	L619-L621 VanDerWaalsContact C-N 3.26Å; L619-L621 PolarHBondContact O-N 3.35Å; L619-R622 WeakPolarHBondContact O-CA 3.33Å; L619-R622 WeakPolarHBondContact O-CB 3.44Å; L619-R622 PolarHBondContact O-N 2.92Å; L619-E623 PolarHBondContact O-N 3.11Å
620	D	82.1	Confident	84.4	Confident	51 Å²	51	59.9 Å²	59.9	27%	0.273	33%	0.333	S	S	.	.	H	α-helix	trans	-54.4	-39.2	179.4	-54.9	48.6	0	0	0	112.3	R582 H624	R582-D620 WeakPolarHBondContact CD-OD2 3.47Å; R582-D620 IonicContact NH1-OD1 3.71Å; R582-D620 PolarHBondContact NH1-OD1 3.47Å; R582-D620 IonicContact NH1-OD2 2.69Å; D620-H624 WeakPolarHBondContact O-CB 3.41Å; D620-H624 PolarHBondContact O-N 3.32Å
621	L	83.6	Confident	83.8	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-71.7	-31	175.2	-67.5	-174.5	0	0	0	113.5	L594 R596 T602 A605 I606 L619 L625	L594-L621 HydrophobicContact CB-CD2 4.21Å; L594-L621 HydrophobicContact CD2-CD1 3.85Å; L594-L621 HydrophobicContact CD2-CG 4.37Å; R596-L621 HydrophobicContact CG-CD2 4.45Å; T602-L621 HydrophobicContact CG2-CB 4.15Å; T602-L621 HydrophobicContact CG2-CD2 4.26Å; A605-L621 HydrophobicContact CB-CD1 4.17Å; I606-L621 HydrophobicContact CD1-CB 3.98Å; I606-L621 HydrophobicContact CG1-CB 3.87Å; I606-L621 HydrophobicContact CG1-CD1 4.22Å; L619-L621 VanDerWaalsContact C-N 3.26Å; L619-L621 PolarHBondContact O-N 3.35Å; L621-L625 VanDerWaalsContact O-CB 3.24Å; L621-L625 WeakPolarHBondContact O-CB 3.47Å; L621-L625 PolarHBondContact O-N 3.4Å
622	R	85.5	Confident	83.2	Confident	103 Å²	103	57.4 Å²	57.4	39%	0.389	33%	0.326	S	S	.	.	H	α-helix	trans	-71.9	-41.5	174.8	-70.7	160	-172.5	-83.8	-5.5	111	I606 T618 L619 L625 Q626	I606-R622 HydrophobicContact CD1-CG 4.14Å; T618-R622 VanDerWaalsContact O-CD 3.32Å; T618-R622 WeakPolarHBondContact O-CD 3.5Å; T618-R622 WeakPolarHBondContact O-CG 3.41Å; T618-R622 PolarHBondContact O-N 3.4Å; T618-R622 PolarHBondContact OG1-NE 2.87Å; T618-R622 PolarHBondContact OG1-NH2 2.95Å; L619-R622 WeakPolarHBondContact O-CA 3.33Å; L619-R622 WeakPolarHBondContact O-CB 3.44Å; L619-R622 PolarHBondContact O-N 2.92Å; R622-L625 PolarHBondContact O-N 3.04Å; R622-Q626 WeakPolarHBondContact O-CB 3.32Å; R622-Q626 WeakPolarHBondContact O-CG 3.44Å; R622-Q626 PolarHBondContact O-N 3.29Å
623	E	85.9	Confident	82.8	Confident	124 Å²	124	60.5 Å²	60.5	58%	0.579	34%	0.342	S	S	*	.	H	α-helix	trans	-63.7	-46.3	175.3	-70.7	172.7	-161.5	0	0	110.6	L619 L625 Q626 A627	L619-E623 PolarHBondContact O-N 3.11Å; E623-L625 VanDerWaalsContact C-N 3.33Å; E623-L625 PolarHBondContact O-N 2.91Å; E623-Q626 PolarHBondContact O-N 3.08Å; E623-A627 WeakPolarHBondContact O-CB 3.49Å; E623-A627 PolarHBondContact O-N 3.01Å
624	H	82	Confident	82.3	Confident	59 Å²	59	60.4 Å²	60.4	27%	0.273	34%	0.335	S	S	.	.	H	α-helix	trans	-60.9	-38.9	173.7	-174.7	70.6	0	0	0	113	R596 D620 S628	R596-H624 PolarHBondContact O-NE2 2.93Å; D620-H624 WeakPolarHBondContact O-CB 3.41Å; D620-H624 PolarHBondContact O-N 3.32Å; H624-S628 WeakPolarHBondContact O-CB 3.34Å; H624-S628 PolarHBondContact O-N 2.88Å; H624-S628 PolarHBondContact O-OG 3.31Å
625	L	84.2	Confident	81.8	Confident	41 Å²	41	66.8 Å²	66.8	22%	0.215	36%	0.363	C	S	.	.	H	α-helix	trans	-69.5	-36	176	-172.3	153.3	0	0	0	112.3	T602 R603 I606 L621 R622 E623 R629	T602-L625 HydrophobicContact CG2-CD1 4.37Å; R603-L625 HydrophobicContact CG-CD1 3.65Å; I606-L625 HydrophobicContact CD1-CD1 4.23Å; L621-L625 VanDerWaalsContact O-CB 3.24Å; L621-L625 WeakPolarHBondContact O-CB 3.47Å; L621-L625 PolarHBondContact O-N 3.4Å; R622-L625 PolarHBondContact O-N 3.04Å; E623-L625 VanDerWaalsContact C-N 3.33Å; E623-L625 PolarHBondContact O-N 2.91Å; L625-R629 VanDerWaalsContact O-CB 3.3Å; L625-R629 WeakPolarHBondContact O-CB 3.49Å; L625-R629 PolarHBondContact O-N 2.79Å
626	Q	85.3	Confident	81.5	Confident	115 Å²	115	72.1 Å²	72.1	54%	0.537	38%	0.379	S	S	.	.	H	α-helix	trans	-66.5	-54.3	172.3	-76.3	173.4	-10	0	0	110.6	R622 E623 S628 R629 D630	R622-Q626 WeakPolarHBondContact O-CB 3.32Å; R622-Q626 WeakPolarHBondContact O-CG 3.44Å; R622-Q626 PolarHBondContact O-N 3.29Å; E623-Q626 PolarHBondContact O-N 3.08Å; Q626-S628 VanDerWaalsContact C-N 3.25Å; Q626-S628 PolarHBondContact O-N 3.3Å; Q626-R629 CarbonylContact O-C 3.44Å; Q626-R629 WeakPolarHBondContact O-CA 3.41Å; Q626-R629 WeakPolarHBondContact O-CB 3.5Å; Q626-R629 PolarHBondContact O-N 3.44Å; Q626-D630 WeakPolarHBondContact O-CB 3.25Å; Q626-D630 PolarHBondContact O-N 3Å
627	A	84	Confident	81.1	Confident	54 Å²	54	76 Å²	76	45%	0.446	39%	0.391	S	S	.	.	H	α-helix	trans	-55.7	-39.2	176.6	0	0	0	0	0	112.6	E623 S631	E623-A627 WeakPolarHBondContact O-CB 3.49Å; E623-A627 PolarHBondContact O-N 3.01Å; A627-S631 WeakPolarHBondContact O-CB 3.37Å; A627-S631 PolarHBondContact O-N 3.48Å; A627-S631 PolarHBondContact O-OG 3.01Å
628	S	78.1	Confident	80.4	Confident	53 Å²	53	78.2 Å²	78.2	37%	0.371	41%	0.408	S	S	.	.	H	α-helix	trans	-67.2	-40.6	174.3	-63.7	0	0	0	0	112.9	H624 Q626 A632	H624-S628 WeakPolarHBondContact O-CB 3.34Å; H624-S628 PolarHBondContact O-N 2.88Å; H624-S628 PolarHBondContact O-OG 3.31Å; Q626-S628 VanDerWaalsContact C-N 3.25Å; Q626-S628 PolarHBondContact O-N 3.3Å; S628-A632 WeakPolarHBondContact O-CB 3.39Å; S628-A632 PolarHBondContact O-N 3.18Å
629	R	81.7	Confident	79.2	Confident	165 Å²	165	84.5 Å²	84.5	62%	0.623	44%	0.437	S	S	*	.	H	α-helix	trans	-63.8	-46.2	174.4	172.1	-174.9	174.7	123.2	3.6	111	L625 Q626 A632 L633	L625-R629 VanDerWaalsContact O-CB 3.3Å; L625-R629 WeakPolarHBondContact O-CB 3.49Å; L625-R629 PolarHBondContact O-N 2.79Å; Q626-R629 CarbonylContact O-C 3.44Å; Q626-R629 WeakPolarHBondContact O-CA 3.41Å; Q626-R629 WeakPolarHBondContact O-CB 3.5Å; Q626-R629 PolarHBondContact O-N 3.44Å; R629-A632 CarbonylContact O-C 3.59Å; R629-A632 WeakPolarHBondContact O-CB 3.33Å; R629-A632 PolarHBondContact O-N 3.44Å; R629-A632 VanDerWaalsContact O-N 3.16Å; R629-L633 HydrophobicContact CG-CD1 4.13Å; R629-L633 WeakPolarHBondContact O-CG 3.42Å; R629-L633 PolarHBondContact O-N 2.98Å
630	D	81.7	Confident	78.2	Confident	87 Å²	87	84.5 Å²	84.5	47%	0.465	44%	0.444	S	S	.	.	H	α-helix	trans	-73.9	-35.1	-174.3	-59.6	-23	0	0	0	110.4	Q626 A632 L633 A634	Q626-D630 WeakPolarHBondContact O-CB 3.25Å; Q626-D630 PolarHBondContact O-N 3Å; D630-A632 VanDerWaalsContact C-N 3.34Å; D630-A632 PolarHBondContact O-N 3.29Å; D630-L633 PolarHBondContact O-N 3.42Å; D630-A634 WeakPolarHBondContact O-CB 3.44Å; D630-A634 PolarHBondContact O-N 3.23Å
631	S	78.5	Confident	77.1	Confident	69 Å²	69	88.3 Å²	88.3	48%	0.483	46%	0.458	S	S	.	.	H	α-helix	trans	-61.3	-39.2	166.5	-62	0	0	0	0	112.7	A627 K635	A627-S631 WeakPolarHBondContact O-CB 3.37Å; A627-S631 PolarHBondContact O-N 3.48Å; A627-S631 PolarHBondContact O-OG 3.01Å; S631-K635 WeakPolarHBondContact O-CB 3.48Å; S631-K635 WeakPolarHBondContact O-CG 3.5Å; S631-K635 PolarHBondContact O-N 3.24Å
632	A	77.9	Confident	75.6	Confident	50 Å²	50	95.1 Å²	95.1	41%	0.413	49%	0.494	S	S	.	.	H	α-helix	trans	-71.4	-31.5	176.5	0	0	0	0	0	112.8	S628 R629 D630 K636	S628-A632 WeakPolarHBondContact O-CB 3.39Å; S628-A632 PolarHBondContact O-N 3.18Å; R629-A632 CarbonylContact O-C 3.59Å; R629-A632 WeakPolarHBondContact O-CB 3.33Å; R629-A632 PolarHBondContact O-N 3.44Å; R629-A632 VanDerWaalsContact O-N 3.16Å; D630-A632 VanDerWaalsContact C-N 3.34Å; D630-A632 PolarHBondContact O-N 3.29Å; A632-K636 WeakPolarHBondContact O-CG 3.17Å; A632-K636 PolarHBondContact O-N 2.96Å
633	L	80.8	Confident	73.8	Confident	82 Å²	82	98.6 Å²	98.6	43%	0.429	51%	0.512	S	S	.	.	H	α-helix	trans	-70.2	-47.2	171.3	-70.5	169.3	0	0	0	110.9	R629 D630 K635 K636 E637	R629-L633 HydrophobicContact CG-CD1 4.13Å; R629-L633 WeakPolarHBondContact O-CG 3.42Å; R629-L633 PolarHBondContact O-N 2.98Å; D630-L633 PolarHBondContact O-N 3.42Å; L633-K635 VanDerWaalsContact C-N 3.33Å; L633-K635 PolarHBondContact O-N 2.92Å; L633-K636 PolarHBondContact O-N 3.18Å; L633-K636 VanDerWaalsContact O-N 3.17Å; L633-E637 PolarHBondContact O-N 2.55Å
634	A	78	Confident	71.6	Confident	58 Å²	58	100 Å²	100	48%	0.479	52%	0.523	S	S	.	.	H	α-helix	trans	-58.9	-41.3	176.8	0	0	0	0	0	112.5	D630 E637 S638	D630-A634 WeakPolarHBondContact O-CB 3.44Å; D630-A634 PolarHBondContact O-N 3.23Å; A634-E637 PolarHBondContact O-N 3.19Å; A634-S638 PolarHBondContact O-N 2.68Å
635	K	76.4	Confident	69.7	Low	143 Å²	143	102.8 Å²	102.8	62%	0.622	55%	0.546	S	S	*	.	H	α-helix	trans	-59	-51.8	172.4	-77.5	-179.9	178.7	-175.1	0	111.7	S631 L633 E637 S638 E639	S631-K635 WeakPolarHBondContact O-CB 3.48Å; S631-K635 WeakPolarHBondContact O-CG 3.5Å; S631-K635 PolarHBondContact O-N 3.24Å; L633-K635 VanDerWaalsContact C-N 3.33Å; L633-K635 PolarHBondContact O-N 2.92Å; K635-E637 VanDerWaalsContact C-N 3.29Å; K635-E637 PolarHBondContact O-N 3.19Å; K635-S638 PolarHBondContact O-N 3.5Å; K635-S638 PolarHBondContact O-OG 3.06Å; K635-E639 WeakPolarHBondContact O-CG 3.26Å; K635-E639 PolarHBondContact O-N 3.28Å
636	K	76	Confident	67.7	Low	137 Å²	137	106.2 Å²	106.2	60%	0.596	57%	0.574	S	S	*	*	H	α-helix	trans	-59.3	-37.6	176.7	-75.1	-177	175.1	-168.1	0	113.2	A632 L633 S640	A632-K636 WeakPolarHBondContact O-CG 3.17Å; A632-K636 PolarHBondContact O-N 2.96Å; L633-K636 PolarHBondContact O-N 3.18Å; L633-K636 VanDerWaalsContact O-N 3.17Å; K636-S640 WeakPolarHBondContact O-CB 3.4Å; K636-S640 PolarHBondContact O-N 3.23Å; K636-S640 PolarHBondContact O-OG 3.25Å
637	E	73.3	Confident	65.6	Low	104 Å²	104	105.2 Å²	105.2	49%	0.486	58%	0.579	S	S	.	*	H	α-helix	trans	-65.9	-40.1	173.9	-78.3	-166.1	-147.3	0	0	112.2	L633 A634 K635 S640 K641	L633-E637 PolarHBondContact O-N 2.55Å; A634-E637 PolarHBondContact O-N 3.19Å; K635-E637 VanDerWaalsContact C-N 3.29Å; K635-E637 PolarHBondContact O-N 3.19Å; E637-S640 PolarHBondContact O-N 3.21Å; E637-K641 VanDerWaalsContact O-CB 3.31Å; E637-K641 WeakPolarHBondContact O-CB 3.41Å; E637-K641 WeakPolarHBondContact O-CD 3.47Å; E637-K641 VanDerWaalsContact O-CG 3.26Å; E637-K641 WeakPolarHBondContact O-CG 3.37Å; E637-K641 PolarHBondContact O-N 3.09Å; E637-K641 IonicContact OE2-NZ 2.69Å; E637-K641 PolarHBondContact OE2-NZ 3.31Å
638	S	66.4	Low	63.7	Low	62 Å²	62	108.6 Å²	108.6	43%	0.434	59%	0.594	S	S	.	*	H	α-helix	trans	-66	-41.6	176.7	70.1	0	0	0	0	112.6	A634 K635 S640 K641 N642	A634-S638 PolarHBondContact O-N 2.68Å; K635-S638 PolarHBondContact O-N 3.5Å; K635-S638 PolarHBondContact O-OG 3.06Å; S638-S640 VanDerWaalsContact C-N 3.29Å; S638-S640 PolarHBondContact O-N 2.92Å; S638-K641 PolarHBondContact O-N 3.07Å; S638-N642 PolarHBondContact O-N 2.79Å; S638-N642 VanDerWaalsContact O-N 3.09Å
639	E	60.3	Low	62	Low	132 Å²	132	114.2 Å²	114.2	62%	0.617	62%	0.619	S	S	*	*	H	α-helix	trans	-63.9	-34.2	173.6	-68.8	173.3	163.4	0	0	112.3	K635	K635-E639 WeakPolarHBondContact O-CG 3.26Å; K635-E639 PolarHBondContact O-N 3.28Å
640	S	61.1	Low	59.9	Low	82 Å²	82	110 Å²	110	57%	0.573	63%	0.627	S	S	*	*	H	α-helix	trans	-76.2	-40.5	177.2	-56.5	0	0	0	0	112.3	K636 E637 S638 N642 K643	K636-S640 WeakPolarHBondContact O-CB 3.4Å; K636-S640 PolarHBondContact O-N 3.23Å; K636-S640 PolarHBondContact O-OG 3.25Å; E637-S640 PolarHBondContact O-N 3.21Å; S638-S640 VanDerWaalsContact C-N 3.29Å; S638-S640 PolarHBondContact O-N 2.92Å; S640-N642 VanDerWaalsContact C-N 3.33Å; S640-N642 PolarHBondContact O-N 3.13Å; S640-K643 PolarHBondContact O-N 2.94Å; S640-K643 VanDerWaalsContact O-N 3.08Å
641	K	58.7	Low	57.8	Low	130 Å²	130	112.9 Å²	112.9	57%	0.565	64%	0.643	S	S	*	*	H	α-helix	trans	-71.1	-27.6	-179.5	-74.9	163.1	177.6	166.9	0	112.4	E637 S638 K643	E637-K641 VanDerWaalsContact O-CB 3.31Å; E637-K641 WeakPolarHBondContact O-CB 3.41Å; E637-K641 WeakPolarHBondContact O-CD 3.47Å; E637-K641 VanDerWaalsContact O-CG 3.26Å; E637-K641 WeakPolarHBondContact O-CG 3.37Å; E637-K641 PolarHBondContact O-N 3.09Å; E637-K641 IonicContact OE2-NZ 2.69Å; E637-K641 PolarHBondContact OE2-NZ 3.31Å; S638-K641 PolarHBondContact O-N 3.07Å; K641-K643 PolarHBondContact O-N 3.37Å
642	N	52.9	Low	56.2	Low	147 Å²	147	116.7 Å²	116.7	79%	0.786	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	7.3	169.5	-74.2	-4.3	0	0	0	114	S638 S640	S638-N642 PolarHBondContact O-N 2.79Å; S638-N642 VanDerWaalsContact O-N 3.09Å; S640-N642 VanDerWaalsContact C-N 3.33Å; S640-N642 PolarHBondContact O-N 3.13Å
643	K	47.3	Very low	54.2	Low	177 Å²	177	119 Å²	119	77%	0.77	67%	0.669	S	S	*	*			trans	-126.2	59.3	172.9	-72.9	-172	174.5	-177.9	0	112.1	S640 K641	S640-K643 PolarHBondContact O-N 2.94Å; S640-K643 VanDerWaalsContact O-N 3.08Å; K641-K643 PolarHBondContact O-N 3.37Å
644	L	39	Very low	52.4	Low	153 Å²	153	122.2 Å²	122.2	80%	0.801	69%	0.685	S	S	*	*			trans	-78.4	148.2	164.3	-74.7	164.8	0	0	0	110.6
645	P	42.8	Very low	50.5	Low	117 Å²	117	123.8 Å²	123.8	76%	0.76	69%	0.693	S	S	*	*			trans	-113	123.4	-146	36.3	-25.9	0	0	0	115.4
646	S	41.3	Very low	48.6	Very low	113 Å²	113	121.9 Å²	121.9	79%	0.79	70%	0.697	S	S	*	*			trans	-87.2	122.8	151.3	54.5	0	0	0	0	108.1
647	S	40.6	Very low	46.8	Very low	94 Å²	94	120.9 Å²	120.9	66%	0.657	71%	0.707	S	S	*	*			cis	130.1	120.5	16.9	52.7	0	0	0	0	106.7
648	V	43.9	Very low	45.2	Very low	126 Å²	126	120.6 Å²	120.6	76%	0.764	72%	0.717	S	S	*	*			trans	75.1	103.6	149.4	-178	0	0	0	0	118.7
649	L	42.4	Very low	44	Very low	170 Å²	170	123 Å²	123	89%	0.89	73%	0.733	S	S	*	*			trans	69.3	147.8	145.9	-58.2	170.8	0	0	0	120.8
650	G	38.1	Very low	43.1	Very low	76 Å²	76	121.7 Å²	121.7	78%	0.784	74%	0.739	S	S	*	*			trans	143.1	102	172.3	0	0	0	0	0	113.1
651	D	38.4	Very low	42.2	Very low	149 Å²	149	123.8 Å²	123.8	80%	0.797	75%	0.754	S	S	*	*			trans	-92.5	175.1	-174.6	-81.7	-65.3	0	0	0	114.8
652	I	44.1	Very low	41.3	Very low	149 Å²	149	123.3 Å²	123.3	76%	0.764	77%	0.767	S	S	*	*			trans	59.1	87.2	154.8	54.5	169	0	0	0	121.4
653	S	35.7	Very low	40.8	Very low	98 Å²	98	122.3 Å²	122.3	69%	0.685	77%	0.771	S	S	*	*				70.3	169.3	104.3	79.9	0	0	0	0	123.2
654	I	44	Very low	40.5	Very low	149 Å²	149	119 Å²	119	76%	0.764	77%	0.771	S	S	*	*			trans	70.4	124.5	166.3	68.9	165.7	0	0	0	122.7
655	S	37.3	Very low	40.7	Very low	92 Å²	92	117.8 Å²	117.8	64%	0.643	78%	0.775	S	S	*	*			trans	60.3	93.8	136.4	63.9	0	0	0	0	121.2
656	S	35.9	Very low	40.6	Very low	102 Å²	102	117.3 Å²	117.3	71%	0.713	77%	0.774	S	S	*	*				57.9	146.2	113.7	66.9	0	0	0	0	122.2
657	S	40.2	Very low	40.5	Very low	116 Å²	116	120.1 Å²	120.1	81%	0.811	78%	0.781	S	S	*	*			trans	72.1	149.4	166.2	81.1	0	0	0	0	115.4
658	S	38	Very low	40.4	Very low	99 Å²	99	118.5 Å²	118.5	69%	0.692	78%	0.778	S	S	*	*			cis	-171	162.8	-24.9	48.5	0	0	0	0	108.3
659	S	42.3	Very low	40.3	Very low	111 Å²	111	118.2 Å²	118.2	78%	0.776	78%	0.782	S	S	*	*			trans	64.5	160.7	164.8	86.1	0	0	0	0	116.1
660	S	40.5	Very low	40.1	Very low	105 Å²	105	122 Å²	122	73%	0.734	78%	0.784	S	S	*	*			cis	-165.3	139.3	-34.2	46.4	0	0	0	0	109.1
661	S	41.8	Very low	40.2	Very low	127 Å²	127	124.2 Å²	124.2	89%	0.888	79%	0.788	S	S	*	*			trans	-143.3	128.4	156	54.8	0	0	0	0	108.8
662	S	41.7	Very low	40.2	Very low	120 Å²	120	123 Å²	123	84%	0.839	79%	0.791	S	S	*	*			trans	-129.4	136	-165.6	54.1	0	0	0	0	111.5
663	S	42	Very low	40	Very low	125 Å²	125	121.7 Å²	121.7	87%	0.874	80%	0.795	S	S	*	*			trans	-138.5	129.9	158.4	53.1	0	0	0	0	108.6
664	S	41.4	Very low	40.1	Very low	109 Å²	109	121.7 Å²	121.7	76%	0.762	80%	0.795	S	S	*	*			trans	-112.8	150.3	-165.1	51.6	0	0	0	0	112.3
665	S	42	Very low	39.9	Very low	127 Å²	127	122.7 Å²	122.7	89%	0.888	80%	0.797	S	S	*	*			trans	-163.8	159.4	137.5	-78.2	0	0	0	0	109.2
666	S	40.8	Very low	39.9	Very low	106 Å²	106	123.2 Å²	123.2	74%	0.741	80%	0.8	S	S	*	*			trans	-135.8	149.5	-156.8	-53.3	0	0	0	0	113.1
667	D	39.7	Very low	40	Very low	173 Å²	173	127.4 Å²	127.4	93%	0.925	81%	0.809	S	S	*	*			trans	166.3	158.5	134.9	-87.5	-14.9	0	0	0	110.3
668	G	38.9	Very low	39.9	Very low	59 Å²	59	126.9 Å²	126.9	61%	0.608	81%	0.805	S	S	*	*			cis	167.3	133	-6.2	0	0	0	0	0	111.2
669	S	41.7	Very low	39.8	Very low	120 Å²	120	127.8 Å²	127.8	84%	0.839	81%	0.811	S	S	*	*			trans	67.4	128.9	-178.3	-51.8	0	0	0	0	115.9
670	R	38.4	Very low	39.4	Very low	249 Å²	249	128.1 Å²	128.1	94%	0.94	81%	0.812	S	S	*	*			cis	85.6	104.9	22.9	-60.2	-173.1	174.9	-170.5	0.1	117.4
671	S	39.5	Very low	39.3	Very low	124 Å²	124	128.9 Å²	128.9	87%	0.867	82%	0.818	S	S	*	*			trans	-152.9	159.1	131.7	62.3	0	0	0	0	109.1
672	S	38.8	Very low	39	Very low	122 Å²	122	130.7 Å²	130.7	85%	0.853	82%	0.817	S	S	*	*			trans	-164.3	145.2	-165	55.8	0	0	0	0	113.8
673	S	39.3	Very low	39	Very low	122 Å²	122	131.8 Å²	131.8	85%	0.853	81%	0.814	S	S	*	*			trans	-148.9	137.4	158.1	41.8	0	0	0	0	111.6
674	S	39.1	Very low	38.7	Very low	98 Å²	98	132.8 Å²	132.8	69%	0.685	81%	0.805	S	S	*	*			trans	-86.1	-174.1	172.8	40.6	0	0	0	0	109.7
675	E	38.7	Very low	38.7	Very low	170 Å²	170	134.9 Å²	134.9	79%	0.794	80%	0.8	S	S	*	*			cis	-148.1	146	32.1	-72.6	174.5	171.9	0	0	109.5
676	S	37.1	Very low	38.6	Very low	103 Å²	103	135.1 Å²	135.1	72%	0.72	79%	0.787	S	S	*	*				64.5	141.7	78.9	-32.9	0	0	0	0	112.8
677	E	38.3	Very low	38.4	Very low	190 Å²	190	139.5 Å²	139.5	89%	0.888	79%	0.787	S	S	*	*			cis	-140.7	-178.2	23.1	-72.9	-166.2	143.2	0	0	115.1
678	S	37.7	Very low	38.2	Very low	106 Å²	106	140 Å²	140	74%	0.741	78%	0.781	S	S	*	*			trans	-91.2	166.1	176.1	72.7	0	0	0	0	112.9
679	S	37	Very low	38	Very low	117 Å²	117	146.7 Å²	146.7	82%	0.818	79%	0.794	S	S	*	*				178	-175.8	83.9	50.7	0	0	0	0	111.9
680	C	32.8	Very low	37.8	Very low	118 Å²	118	153.3 Å²	153.3	80%	0.797	80%	0.8	S	S	*	*			trans	-134.1	159.6	-166.4	61.7	0	0	0	0	114.2
681	S	38.9	Very low	37.6	Very low	122 Å²	122	150.3 Å²	150.3	85%	0.853	79%	0.794	S	S	*	*			trans	-163.4	154.9	159.4	-84.2	0	0	0	0	111.4
682	N	35.5	Very low	37.5	Very low	164 Å²	164	152.6 Å²	152.6	88%	0.877	79%	0.791	S	S	*	*			trans	-105.2	163.2	-177.3	-58.5	-76.5	0	0	0	111.7
683	D	41.5	Very low	37.3	Very low	144 Å²	144	150.7 Å²	150.7	77%	0.77	78%	0.777	S	S	*	*			trans	-149	152.8	130.4	-147.4	-30.9	0	0	0	111.4	K685	D683-K685 IonicContact OD1-NZ 3.88Å; D683-K685 PolarHBondContact OD1-NZ 3.03Å
684	E	36.4	Very low	37.1	Very low	145 Å²	145	153.8 Å²	153.8	68%	0.678	78%	0.775	S	S	*	*			trans	-96.8	155.1	177	-78.3	-157.6	109.5	0	0	111.9
685	K	39.8	Very low	37	Very low	153 Å²	153	154.2 Å²	154.2	67%	0.665	77%	0.77	S	S	*	*				176.7	134.4	109	-90	151.5	-146.4	89.9	0	114.1	D683	D683-K685 IonicContact OD1-NZ 3.88Å; D683-K685 PolarHBondContact OD1-NZ 3.03Å
686	H	41.3	Very low	36.7	Very low	132 Å²	132	154 Å²	154	61%	0.611	77%	0.766	S	S	*	*			trans	45.8	147.6	133.8	-68.9	8.2	0	0	0	121.6
687	R	35.7	Very low	36.7	Very low	198 Å²	198	157.2 Å²	157.2	75%	0.747	77%	0.77	S	S	*	*			cis	-163.1	139.8	-2.8	-116	171.1	-168.7	-163.1	4	111.9
688	K	36.4	Very low	36.4	Very low	184 Å²	184	157 Å²	157	80%	0.8	77%	0.766	S	S	*	*			trans	21.5	115.2	146	-61.7	177.7	-179.5	175.8	0	121.1
689	K	33.7	Very low	36.2	Very low	200 Å²	200	159.4 Å²	159.4	87%	0.87	77%	0.769	S	S	*	*				43.7	129.6	125	-62.2	177.9	176.7	177.2	0	120.8
690	R	38.2	Very low	36	Very low	258 Å²	258	160.6 Å²	160.6	97%	0.974	76%	0.762	S	S	*	*				-153.8	174.2	120.4	-117.4	166.7	175.2	163.1	-2.7	113.2
691	K	34.5	Very low	35.9	Very low	186 Å²	186	162.9 Å²	162.9	81%	0.809	76%	0.759	S	S	*	*			trans	-116.3	170.9	-164.7	-69.7	-176.8	175.5	-177.3	0	112.6
692	H	37.4	Very low	35.4	Very low	173 Å²	173	166.4 Å²	166.4	80%	0.801	76%	0.758	S	S	*	*			trans	93.7	151.5	160.3	-66.2	-78	0	0	0	117.7
693	S	34.8	Very low	35.1	Very low	82 Å²	82	162.7 Å²	162.7	57%	0.573	75%	0.745	S	S	*	*			cis	-178.2	151.3	-37.7	55.1	0	0	0	0	110.6
694	K	34.8	Very low	34.8	Very low	187 Å²	187	164 Å²	164	81%	0.813	75%	0.746	S	S	*	*			trans	66.4	162.2	160.6	-70.4	178.2	168.6	-171	0	115.4
695	D	36.2	Very low	34.5	Very low	107 Å²	107	161.3 Å²	161.3	57%	0.572	74%	0.744	S	S	*	*			cis	-143	-172.7	-10.9	-132.9	-64	0	0	0	110.8
696	K	33.3	Very low	34.3	Very low	165 Å²	165	160.7 Å²	160.7	72%	0.717	75%	0.748	S	S	*	*			trans	-63.4	157.9	-172.1	-48.7	122.5	-172.3	147.9	0	116.3
697	H	37.4	Very low	33.7	Very low	171 Å²	171	164.6 Å²	164.6	79%	0.792	76%	0.757	S	S	*	*				163.8	127.6	124.4	-97.8	-93.3	0	0	0	107.6
698	K	30.2	Very low	33.8	Very low	186 Å²	186	163.5 Å²	163.5	81%	0.809	76%	0.76	S	S	*	*			cis	80.6	87.7	32.6	-164.6	-174	180	-178.4	0	115.3
699	L	35	Very low	33.7	Very low	155 Å²	155	162 Å²	162	81%	0.812	76%	0.756	S	S	*	*			trans	174.9	127.4	150	-88.4	150	0	0	0	105.5
700	Q	32.2	Very low	33.9	Very low	143 Å²	143	161 Å²	161	67%	0.668	75%	0.754	S	S	*	*				96.4	129.7	52.3	-96.3	-157.7	17.9	0	0	115.3
701	K	29.9	Very low	33.5	Very low	166 Å²	166	156.5 Å²	156.5	72%	0.722	74%	0.744	S	S	*	*			trans	80.8	126.8	151.9	-69.1	163.1	174.8	157.1	0	121.3
702	K	29.3	Very low	33.7	Very low	195 Å²	195	154.9 Å²	154.9	85%	0.848	74%	0.739	S	S	*	*			trans	68	158.1	136.6	-72.9	-172	175	-166.2	0	118.1
703	S	29.4	Very low	33.7	Very low	86 Å²	86	153.3 Å²	153.3	60%	0.601	73%	0.732	S	S	*	*			cis	-176	171.2	-22.3	51.6	0	0	0	0	109.1
704	H	34.1	Very low	33.7	Very low	171 Å²	171	155.4 Å²	155.4	79%	0.792	73%	0.732	S	S	*	*			trans	71.3	124.1	177.2	-73.5	-82.4	0	0	0	114.1
705	S	30.6	Very low	33.8	Very low	90 Å²	90	153.8 Å²	153.8	63%	0.629	73%	0.728	S	S	*	*				93.7	154.4	69.2	89.3	0	0	0	0	111.1
706	D	35.2	Very low	33.8	Very low	139 Å²	139	156.5 Å²	156.5	74%	0.743	74%	0.737	S	S	*	*			cis	-144.3	-169.9	20.6	-119.2	-59.3	0	0	0	114.6
707	R	30	Very low	33.9	Very low	215 Å²	215	157.8 Å²	157.8	81%	0.811	74%	0.742	S	S	*	*			trans	-76.4	161	-178.2	-62.4	162.4	166.2	154.8	-8.5	114.7
708	H	38	Very low	33.8	Very low	174 Å²	174	154.7 Å²	154.7	81%	0.806	74%	0.74	S	S	*	*				163.1	116.4	126.4	-93.2	-83.6	0	0	0	109.4
709	H	34.2	Very low	34	Very low	153 Å²	153	150.7 Å²	150.7	71%	0.708	74%	0.736	S	S	*	*				60.8	108.1	86.1	-104.2	-63	0	0	0	115.9
710	H	38	Very low	34.1	Very low	180 Å²	180	152.1 Å²	152.1	83%	0.833	74%	0.735	S	S	*	*				-169.1	149.5	116.9	-112.4	-75.5	0	0	0	113.2
711	E	29.4	Very low	34.4	Very low	162 Å²	162	153.7 Å²	153.7	76%	0.757	74%	0.742	S	S	*	*			trans	-97.3	155.6	168.2	-58	162.4	96.4	0	0	110.4
712	H	38.3	Very low	34.7	Very low	152 Å²	152	151.5 Å²	151.5	70%	0.704	74%	0.743	S	S	*	*			trans	-177.3	133.6	135.2	-112.1	-84.7	0	0	0	113.6
713	H	38.3	Very low	34.9	Very low	141 Å²	141	147.1 Å²	147.1	65%	0.653	74%	0.737	S	S	*	*			trans	44.3	152.9	133.2	-75.2	25.7	0	0	0	122.8
714	Q	34.4	Very low	35.3	Very low	126 Å²	126	147.7 Å²	147.7	59%	0.589	74%	0.741	S	S	*	*			cis	-174.8	167.9	-15.4	-115.1	-177.9	23.7	0	0	110.1
715	Q	36.7	Very low	35.5	Very low	153 Å²	153	148.6 Å²	148.6	72%	0.715	74%	0.742	S	S	*	*			trans	67.8	155.3	153	-74.7	174.3	52.6	0	0	119.7
716	Q	35.3	Very low	35.9	Very low	164 Å²	164	151.7 Å²	151.7	77%	0.766	75%	0.747	S	S	*	*			cis	-170.6	177.1	-29.2	-122.6	-175	23.6	0	0	111.7
717	K	35.7	Very low	35.9	Very low	192 Å²	192	149 Å²	149	84%	0.835	74%	0.739	S	S	*	*			trans	99.2	127.9	169.9	-58.9	170	-177.6	175.9	0	116
718	S	35.2	Very low	36.2	Very low	106 Å²	106	147.2 Å²	147.2	74%	0.741	74%	0.74	S	S	*	*			cis	101.2	137.3	18.8	75	0	0	0	0	114.7
719	S	33.9	Very low	36.2	Very low	102 Å²	102	147 Å²	147	71%	0.713	74%	0.741	S	S	*	*			cis	-175.2	175.1	-5.2	51.6	0	0	0	0	112.7
720	K	37.2	Very low	36.5	Very low	185 Å²	185	145.2 Å²	145.2	80%	0.804	74%	0.743	S	S	*	*			trans	125.4	114.1	165.7	-72.1	171.5	179.7	-177.5	0	112.7
721	H	38.7	Very low	36.3	Very low	175 Å²	175	141.8 Å²	141.8	81%	0.81	74%	0.739	S	S	*	*				72.8	135.5	69.7	-72.1	-65.5	0	0	0	113.5
722	T	36	Very low	36.8	Very low	120 Å²	120	141.4 Å²	141.4	74%	0.736	74%	0.742	S	S	*	*			cis	-141.2	134	35	46	0	0	0	0	113.1
723	S	35	Very low	36.5	Very low	104 Å²	104	144.9 Å²	144.9	73%	0.727	75%	0.749	S	S	*	*				56.7	141.1	88.2	78.9	0	0	0	0	116.9
724	S	36.8	Very low	36.5	Very low	98 Å²	98	145.8 Å²	145.8	69%	0.685	76%	0.757	S	S	*	*			cis	-163.3	170.9	25	70.8	0	0	0	0	116.2
725	K	37.6	Very low	36.4	Very low	189 Å²	189	144.3 Å²	144.3	82%	0.822	76%	0.761	S	S	*	*			trans	79.2	149.4	162.5	-73.3	-177.3	178.6	-176.4	0	118.6
726	H	39.3	Very low	36.1	Very low	156 Å²	156	145.9 Å²	145.9	72%	0.722	77%	0.765	S	S	*	*			cis	-165.1	171.6	-27.4	-144.3	-105.4	0	0	0	113
727	S	36.6	Very low	36.3	Very low	82 Å²	82	147.3 Å²	147.3	57%	0.573	77%	0.772	S	S	*	*			trans	17.8	145.5	153.1	51.1	0	0	0	0	123.9
728	E	34.8	Very low	36.1	Very low	178 Å²	178	142.5 Å²	142.5	83%	0.832	76%	0.762	S	S	*	*			cis	-170	178	-16.3	-121.2	153.3	166.8	0	0	112.1
729	M	38.2	Very low	36.2	Very low	170 Å²	170	145 Å²	145	84%	0.837	77%	0.767	S	S	*	*			trans	-103.7	179.8	173.6	-78.5	-144	81.1	0	0	110
730	P	40.3	Very low	36.3	Very low	115 Å²	115	145 Å²	145	75%	0.747	77%	0.765	S	S	*	*			cis	-148.1	-158.9	26.6	45.6	-22.5	0	0	0	117.5
731	S	34.5	Very low	36.4	Very low	107 Å²	107	142.2 Å²	142.2	75%	0.748	76%	0.763	S	S	*	*			trans	-70.5	155.6	-179.2	56.4	0	0	0	0	116
732	D	39.3	Very low	36.1	Very low	154 Å²	154	143.9 Å²	143.9	82%	0.824	76%	0.762	S	S	*	*			trans	-144.5	173.2	147.5	-140.3	-30.2	0	0	0	113.3
733	R	32.4	Very low	36.2	Very low	226 Å²	226	146.8 Å²	146.8	85%	0.853	77%	0.765	S	S	*	*			trans	-106.5	-164.8	-178.9	-67	178.6	168.1	-175	-2.5	111
734	I	38.8	Very low	36.1	Very low	159 Å²	159	148.7 Å²	148.7	82%	0.815	77%	0.767	S	S	*	*			trans	87.9	139.3	171	-53.5	165.2	0	0	0	113.7
735	S	31.4	Very low	36.3	Very low	95 Å²	95	150 Å²	150	66%	0.664	77%	0.766	S	S	*	*			cis	-160.8	164.8	-37.6	71.9	0	0	0	0	110.1
736	K	31.6	Very low	36.4	Very low	186 Å²	186	149.1 Å²	149.1	81%	0.809	76%	0.762	S	S	*	*			trans	-0.6	123.8	156.2	-58.3	172.6	-179.2	176.4	0	116.9
737	H	39.2	Very low	36	Very low	195 Å²	195	153.4 Å²	153.4	90%	0.903	77%	0.772	S	S	*	*				-135.6	142.1	119.4	-122.3	-88	0	0	0	110.4
738	S	32.2	Very low	36.1	Very low	91 Å²	91	155 Å²	155	64%	0.636	78%	0.784	S	S	*	*			trans	-126.5	137.3	-176.3	54.9	0	0	0	0	108.7
739	D	36.8	Very low	36.2	Very low	158 Å²	158	157 Å²	157	85%	0.845	78%	0.784	S	S	*	*			trans	-136.5	101.4	170.3	-140.7	-24.8	0	0	0	111.4
740	P	36.7	Very low	36.3	Very low	103 Å²	103	155.1 Å²	155.1	67%	0.669	78%	0.776	S	S	*	*			trans	-124.6	101.8	-179.4	36.2	-21	0	0	0	113
741	T	38.9	Very low	36.2	Very low	125 Å²	125	157.7 Å²	157.7	77%	0.767	78%	0.775	S	S	*	*			trans	-162.6	164.7	158.8	39.5	0	0	0	0	111.9
742	R	31.2	Very low	36.2	Very low	211 Å²	211	158.3 Å²	158.3	80%	0.796	78%	0.775	S	S	*	*			cis	-178.7	161.3	-33.3	-169.2	169.6	-176.3	174.8	3	107.9
743	K	38	Very low	36.1	Very low	180 Å²	180	162.8 Å²	162.8	78%	0.783	78%	0.78	S	S	*	*			trans	83.7	116	174.2	-51.1	173.9	-174.3	172	0	113.5
744	D	34.6	Very low	36.4	Very low	145 Å²	145	156.9 Å²	156.9	78%	0.775	77%	0.771	S	S	*	*				76.7	104.9	55.4	-62.8	-50.9	0	0	0	112.5
745	D	39.1	Very low	36.5	Very low	124 Å²	124	155.9 Å²	155.9	66%	0.663	77%	0.772	S	S	*	*				-175.3	162.6	111.2	-130.5	-36.3	0	0	0	116.3
746	K	39.8	Very low	36.7	Very low	172 Å²	172	156.7 Å²	156.7	75%	0.748	77%	0.769	S	S	*	*			trans	37.8	115.4	159.5	-66.9	132.3	-166.6	158.1	0	120.3
747	R	32.6	Very low	37.1	Very low	245 Å²	245	154.4 Å²	154.4	93%	0.925	77%	0.771	S	S	*	*			cis	91.3	81.1	24.9	-163	-160.9	-170.8	-163.6	7	117.2
748	S	38.6	Very low	37.2	Very low	117 Å²	117	150.5 Å²	150.5	82%	0.818	76%	0.763	S	S	*	*			trans	-173.8	155.7	153.3	49.6	0	0	0	0	112.2
749	R	36.7	Very low	37.2	Very low	220 Å²	220	155.3 Å²	155.3	83%	0.83	77%	0.773	S	S	*	*			cis	-168.7	130.8	-40	-135.9	-169.6	166.7	-179.8	-3.9	109.9
750	L	40.6	Very low	37.3	Very low	129 Å²	129	156.4 Å²	156.4	68%	0.675	77%	0.77	S	S	*	*			trans	67.5	159.7	159.7	-56.6	162	0	0	0	116.1
751	K	37.5	Very low	37.2	Very low	169 Å²	169	158.7 Å²	158.7	74%	0.735	78%	0.777	S	S	*	*			cis	-155.6	116	-2.6	-120.1	157.2	-178	-176.9	0	106
752	T	35.3	Very low	37.3	Very low	121 Å²	121	159.3 Å²	159.3	74%	0.742	78%	0.775	S	S	*	*				46.1	113.8	84.4	61.5	0	0	0	0	117.8
753	R	35.7	Very low	37.5	Very low	248 Å²	248	155.2 Å²	155.2	94%	0.936	77%	0.774	S	S	*	*				-174.2	150.6	113.5	-105.8	-176	168.1	-157.6	-7.2	114.8
754	P	39.4	Very low	37.7	Very low	102 Å²	102	151.6 Å²	151.6	66%	0.662	77%	0.769	S	S	*	*			trans	-113.7	165.1	174.6	41.5	-32.8	0	0	0	115
755	V	39.9	Very low	37.9	Very low	138 Å²	138	152 Å²	152	84%	0.836	77%	0.771	S	S	*	*			trans	-155.8	138.7	155.8	-178.4	0	0	0	0	106.3
756	D	35.5	Very low	37.5	Very low	112 Å²	112	151 Å²	151	60%	0.599	77%	0.773	S	S	*	*			cis	114.5	105.5	-3	-62.3	-60.2	0	0	0	117.3
757	T	41	Very low	37.6	Very low	137 Å²	137	149 Å²	149	84%	0.84	78%	0.778	S	S	*	*			trans	72	169.4	163.4	75.5	0	0	0	0	118.9
758	P	41.7	Very low	37.8	Very low	114 Å²	114	141 Å²	141	74%	0.74	77%	0.765	S	S	*	*			cis	-129.6	174.5	-8.1	32.7	-12.3	0	0	0	116.3
759	F	32.6	Very low	37.7	Very low	191 Å²	191	144 Å²	144	84%	0.838	77%	0.765	S	S	*	*			trans	-64.2	146.2	154.5	-105.3	-118.1	0	0	0	110.4
760	F	38.6	Very low	37.8	Very low	182 Å²	182	137.5 Å²	137.5	80%	0.798	75%	0.754	S	S	*	*			trans	-151.3	131.8	142.5	-135	-92.7	0	0	0	111	D762	F760-D762 HydrophobicContact CD1-CB 4.41Å; F760-D762 HydrophobicContact CE1-CB 4.35Å; F760-D762 WeakPolarHBondContact CE1-OD2 3.49Å
761	N	34.9	Very low	37.7	Very low	151 Å²	151	141.9 Å²	141.9	81%	0.807	76%	0.762	S	S	*	*			trans	-124	118.3	175.2	-136.7	10	0	0	0	104.9
762	D	39.3	Very low	37.7	Very low	137 Å²	137	143.1 Å²	143.1	73%	0.733	77%	0.77	S	S	*	*			trans	-152.6	141.9	164.9	-108.8	-27.2	0	0	0	111.5	F760	F760-D762 HydrophobicContact CD1-CB 4.41Å; F760-D762 HydrophobicContact CE1-CB 4.35Å; F760-D762 WeakPolarHBondContact CE1-OD2 3.49Å
763	T	37.1	Very low	38.2	Very low	125 Å²	125	144.5 Å²	144.5	77%	0.767	77%	0.771	S	S	*	*			trans	-111.7	158.8	170.6	30.9	0	0	0	0	106.2
764	P	41.8	Very low	38.6	Very low	104 Å²	104	142.3 Å²	142.3	68%	0.675	77%	0.768	S	S	*	*				-157.7	-162.2	54.8	42.4	-18.7	0	0	0	117.1
765	N	38.3	Very low	38.6	Very low	154 Å²	154	146.1 Å²	146.1	82%	0.824	78%	0.779	S	S	*	*			trans	85.2	116.5	160.6	-64.1	-17	0	0	0	119.3
766	S	31.6	Very low	38.6	Very low	102 Å²	102	150.8 Å²	150.8	71%	0.713	78%	0.782	S	S	*	*			trans	-79.1	161.5	157.9	-169.9	0	0	0	0	109.8
767	P	40.4	Very low	39.1	Very low	130 Å²	130	152 Å²	152	84%	0.844	79%	0.793	S	S	*	*				-134.9	165.3	97.4	38.1	-28.6	0	0	0	113.7
768	A	37.1	Very low	39.2	Very low	79 Å²	79	158.6 Å²	158.6	65%	0.653	81%	0.81	S	S	*	*			trans	-100.7	146.6	-178.8	0	0	0	0	0	112.7
769	H	37.9	Very low	39	Very low	178 Å²	178	160.8 Å²	160.8	82%	0.824	81%	0.814	S	S	*	*			trans	-167	135.4	139.9	-115.8	40.3	0	0	0	115.3
770	S	36.9	Very low	39.4	Very low	84 Å²	84	159.2 Å²	159.2	59%	0.587	81%	0.812	S	S	*	*			trans	61.8	150.4	148.3	-65.7	0	0	0	0	119.8
771	R	38.7	Very low	39.4	Very low	222 Å²	222	157.9 Å²	157.9	84%	0.838	81%	0.813	S	S	*	*			cis	-157.3	148.7	-13	-112.1	165	-160.6	-157.3	1.4	107.9
772	Q	38.3	Very low	39.7	Very low	194 Å²	194	158.4 Å²	158.4	91%	0.907	81%	0.814	S	S	*	*			trans	-73.2	138.1	166.1	-70.2	176.8	-15.1	0	0	110.3
773	I	45.7	Very low	39.7	Very low	150 Å²	150	159.7 Å²	159.7	77%	0.769	82%	0.819	S	S	*	*			trans	-129.1	100.9	161.6	-60.1	-179	0	0	0	108	M775	I773-M775 HydrophobicContact CG2-CG 4.41Å
774	K	43.3	Very low	39.9	Very low	203 Å²	203	162 Å²	162	88%	0.883	82%	0.822	S	S	*	*			trans	-82.2	115.3	157.5	-84.8	-174.7	173	-179.7	0	107.4
775	M	39.4	Very low	39.8	Very low	181 Å²	181	166.1 Å²	166.1	89%	0.892	83%	0.833	S	S	*	*			trans	-68	141.7	165.3	-68.2	-150.9	-68.2	0	0	109.7	I773	I773-M775 HydrophobicContact CG2-CG 4.41Å
776	R	41.7	Very low	39.9	Very low	237 Å²	237	167.1 Å²	167.1	89%	0.894	83%	0.833	S	S	*	*			trans	-131.8	107.6	175.5	-174.1	-179.2	-173.3	178.7	2.9	109.4
777	V	46	Very low	40.6	Very low	138 Å²	138	172.5 Å²	172.5	84%	0.836	84%	0.843	S	S	*	*			trans	25.2	104.2	157.1	-172	0	0	0	0	116.3
778	K	41.5	Very low	40.6	Very low	274 Å²	274	176.4 Å²	176.4	100%	1.191	84%	0.843	S	S	*	*				-137.7	0	125	-128.8	-175.3	-177.4	-173.6	0	109.5

Retrieved 778 of 778 residues in 1043.8 ms (Link to these results)

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