A0A5K4FFF3_SCHMA Loading...

Coiled-coil domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FFF3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 793 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.8	Very low	29.4	Very low	221 Å²	221	151.5 Å²	151.5	100%	1.089	75%	0.75	S	S	*	*				0	85.3	0	-73.6	169	171.7	0	0	106.9
2	D	32.5	Very low	28.8	Very low	136 Å²	136	155.6 Å²	155.6	73%	0.727	76%	0.761	S	S	*	*				57.1	134.9	124	-26.6	-39.1	0	0	0	118.9
3	F	26.8	Very low	29.2	Very low	191 Å²	191	152.9 Å²	152.9	84%	0.838	76%	0.763	S	S	*	*			cis	-162.6	173.1	-19.7	-131.7	-84.1	0	0	0	106.7
4	V	26.3	Very low	29	Very low	130 Å²	130	156.7 Å²	156.7	79%	0.788	78%	0.777	S	S	*	*			trans	-132.2	-171.8	176.8	-142.4	0	0	0	0	110.6
5	P	44.8	Very low	29	Very low	86 Å²	86	151.3 Å²	151.3	56%	0.558	78%	0.777	S	S	*	*				-113.6	-170.5	-117.6	44.6	-29.4	0	0	0	114.8
6	E	27.7	Very low	28.9	Very low	116 Å²	116	148.8 Å²	148.8	54%	0.542	78%	0.777	S	S	.	*			trans	-160.9	175.2	137.5	-107.5	154.2	-159.5	0	0	109.3	N229	E6-N229 PolarHBondContact OE1-ND2 3.39Å
7	D	28.6	Very low	29	Very low	164 Å²	164	148.5 Å²	148.5	88%	0.877	77%	0.771	S	S	*	*			trans	-136.5	-116.7	-158	-177	-102.3	0	0	0	114.2
8	I	26	Very low	28.7	Very low	97 Å²	97	150 Å²	150	50%	0.497	77%	0.765	S	S	.	*			trans	93.8	110.9	160.6	-89.2	-178.1	0	0	0	121.6	E231	I8-E231 WeakPolarHBondContact CD1-OE2 3.29Å
9	L	24	Very low	28.6	Very low	121 Å²	121	149.7 Å²	149.7	63%	0.634	76%	0.76	S	S	*	*			trans	70.8	128.4	138.7	-65.1	179.8	0	0	0	125.5
10	R	25.8	Very low	28.5	Very low	210 Å²	210	147.9 Å²	147.9	79%	0.792	76%	0.757	S	S	*	*			trans	73.4	132.9	133.9	-71	169.7	-173.3	-167	4.9	121.8
11	Q	31.1	Very low	28.4	Very low	194 Å²	194	148.7 Å²	148.7	91%	0.907	76%	0.761	S	S	*	*				-161.3	149.3	112	-112	161.3	84.1	0	0	115.6
12	F	22.4	Very low	28.1	Very low	201 Å²	201	145.3 Å²	145.3	88%	0.882	75%	0.747	S	S	*	*			trans	-108.9	159.1	161.8	-99.1	-90.5	0	0	0	108.1
13	P	33.3	Very low	28.2	Very low	121 Å²	121	143.7 Å²	143.7	79%	0.786	74%	0.744	S	S	*	*			trans	-115.7	149	158.6	36	-26.9	0	0	0	113.9
14	Q	26.5	Very low	28.1	Very low	206 Å²	206	144.3 Å²	144.3	96%	0.963	75%	0.746	S	S	*	*			trans	-151.8	159.9	171.5	-102.8	-160.4	8	0	0	112.3
15	G	28.7	Very low	28	Very low	75 Å²	75	142.7 Å²	142.7	77%	0.773	75%	0.747	S	S	*	*			trans	114.4	150.2	173.1	0	0	0	0	0	113.8
16	S	28.3	Very low	27	Very low	112 Å²	112	147.7 Å²	147.7	78%	0.783	76%	0.76	S	S	*	*			cis	-167.5	166.3	-6.7	79.4	0	0	0	0	108.9
17	E	29.8	Very low	26.7	Very low	144 Å²	144	147.9 Å²	147.9	67%	0.673	77%	0.768	S	S	*	*			cis	-164.4	177.5	-20.3	-118.5	-165.1	-23.3	0	0	112.5
18	R	25	Very low	26.5	Very low	175 Å²	175	149.4 Å²	149.4	66%	0.66	77%	0.767	S	S	*	*			trans	19.9	143.5	142.3	-63.8	177.4	-168.8	-122.6	9.9	121.3
19	H	26.5	Very low	26.6	Very low	144 Å²	144	149.9 Å²	149.9	67%	0.667	78%	0.779	S	S	*	*			cis	-143.9	-132.9	0.6	-101.2	-47.4	0	0	0	108.7
20	T	26	Very low	26.4	Very low	114 Å²	114	149.9 Å²	149.9	70%	0.699	78%	0.784	S	S	*	*			cis	-165.4	147.7	1.6	-22.8	0	0	0	0	112.9
21	I	27.2	Very low	26.4	Very low	165 Å²	165	147 Å²	147	85%	0.846	78%	0.784	S	S	*	*			trans	71.6	138.2	157.3	-71.2	160.1	0	0	0	120.7
22	N	23.9	Very low	25.9	Very low	149 Å²	149	143.3 Å²	143.3	80%	0.797	78%	0.78	S	S	*	*			trans	-168.3	-170.1	-172.9	-143.3	-2.2	0	0	0	106
23	P	32.8	Very low	26	Very low	102 Å²	102	140.9 Å²	140.9	66%	0.662	78%	0.775	S	S	*	*			cis	-133.3	-178	-19.4	43.2	-27.5	0	0	0	114.5
24	K	25.8	Very low	25.4	Very low	204 Å²	204	141 Å²	141	89%	0.887	78%	0.779	S	S	*	*			trans	-169.8	116.4	137.2	-108.8	168.3	-171.9	179.1	0	115.2
25	A	23.8	Very low	25.3	Very low	96 Å²	96	135.1 Å²	135.1	79%	0.793	77%	0.765	S	S	*	*			trans	48.1	143.6	149.3	0	0	0	0	0	120.7
26	K	24.5	Very low	25	Very low	191 Å²	191	140.6 Å²	140.6	83%	0.83	77%	0.77	S	S	*	*			cis	-148.5	150.2	26.1	-94.4	-170.9	176.6	176.2	0	113.1
27	V	21.7	Very low	24.8	Very low	120 Å²	120	145.1 Å²	145.1	73%	0.727	78%	0.776	S	S	*	*			trans	62.2	86.4	141.1	-178.4	0	0	0	0	119
28	K	24.5	Very low	24.4	Very low	196 Å²	196	145.7 Å²	145.7	85%	0.852	78%	0.782	S	S	*	*				179.7	133.3	105.2	-103	171.8	-179.1	180	0	112.5
29	S	26.5	Very low	24.4	Very low	107 Å²	107	142.7 Å²	142.7	75%	0.748	79%	0.786	S	S	*	*			trans	-71.6	148.7	163.5	39	0	0	0	0	109.9
30	V	20.7	Very low	24.1	Very low	122 Å²	122	147 Å²	147	74%	0.739	80%	0.796	S	S	*	*			cis	70.4	82.3	42.1	-174.1	0	0	0	0	112.8
31	N	24.6	Very low	24.1	Very low	149 Å²	149	147.6 Å²	147.6	80%	0.797	80%	0.802	S	S	*	*				-168.3	140.9	106.9	-105.1	-24.9	0	0	0	112
32	S	21.2	Very low	24	Very low	117 Å²	117	149 Å²	149	82%	0.818	80%	0.802	S	S	*	*			trans	-133.6	107.4	173.9	55.7	0	0	0	0	109
33	I	24.8	Very low	23.9	Very low	149 Å²	149	149.4 Å²	149.4	76%	0.764	80%	0.804	S	S	*	*			trans	-124	119.1	171.4	-63.7	179.9	0	0	0	107.9	A35	I33-A35 HydrophobicContact CG2-CB 4.46Å
34	S	21.7	Very low	23.5	Very low	125 Å²	125	150.1 Å²	150.1	87%	0.874	81%	0.806	S	S	*	*			trans	-89.6	110.6	170.4	51.8	0	0	0	0	109.5
35	A	22.7	Very low	23.3	Very low	82 Å²	82	145.3 Å²	145.3	68%	0.678	79%	0.794	S	S	*	*			trans	-137.6	126.7	173.3	0	0	0	0	0	111.5	I33	I33-A35 HydrophobicContact CG2-CB 4.46Å
36	E	24.1	Very low	23.2	Very low	189 Å²	189	150.8 Å²	150.8	88%	0.883	79%	0.794	S	S	*	*			trans	32.3	143.9	158	-63.9	-175.2	106.5	0	0	124	I38	E36-I38 PolarHBondContact O-N 3.09Å
37	K	22.2	Very low	23.1	Very low	207 Å²	207	146.9 Å²	146.9	90%	0.9	79%	0.786	S	S	*	*			trans	-81.5	96.9	-179.8	-63.2	168.6	-178	169	0	110.9
38	I	23.3	Very low	23.3	Very low	157 Å²	157	150.3 Å²	150.3	81%	0.805	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-65.3	126.6	164.6	-60	177.7	0	0	0	108.8	E36 R40	E36-I38 PolarHBondContact O-N 3.09Å; I38-R40 PolarHBondContact O-N 3.21Å
39	P	24.2	Very low	23.5	Very low	112 Å²	112	145.6 Å²	145.6	73%	0.727	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-71.3	129.1	-179.2	27.8	-33.7	0	0	0	111.2	P41	P39-P41 WeakPolarHBondContact O-CD 3.42Å
40	R	20.6	Very low	23.5	Very low	234 Å²	234	147.1 Å²	147.1	88%	0.883	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-63.3	127.9	172.8	-64.2	-179.5	-179.4	-178	-1	110.1	I38 K42	I38-R40 PolarHBondContact O-N 3.21Å; R40-K42 PolarHBondContact O-N 3.26Å
41	P	24.9	Very low	23.9	Very low	127 Å²	127	150.7 Å²	150.7	83%	0.825	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-57.4	132.2	163	-21.5	33.6	0	0	0	109.5	P39	P39-P41 WeakPolarHBondContact O-CD 3.42Å
42	K	25.3	Very low	24.2	Very low	194 Å²	194	147.2 Å²	147.2	84%	0.843	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-74.5	145.2	-178.8	-66.7	177	-178.6	174.6	0	110.7	R40 V44	R40-K42 PolarHBondContact O-N 3.26Å; K42-V44 PolarHBondContact O-N 3.07Å
43	N	22.8	Very low	24.7	Very low	157 Å²	157	145.2 Å²	145.2	84%	0.84	75%	0.748	S	S	*	*			trans	-15.5	108.8	170.5	-55.7	-2.6	0	0	0	115.7
44	V	22.8	Very low	25	Very low	117 Å²	117	143.9 Å²	143.9	71%	0.709	74%	0.739	S	S	*	*			trans	-100.1	104.6	151.5	177.5	0	0	0	0	106.7	K42 W46	K42-V44 PolarHBondContact O-N 3.07Å; V44-W46 PolarHBondContact O-N 3.35Å
45	T	21.5	Very low	25.7	Very low	104 Å²	104	142 Å²	142	64%	0.638	72%	0.722	S	S	*	*			trans	-73.6	109.4	177.1	42.8	0	0	0	0	110.1	T47	T45-T47 PolarHBondContact O-N 3.03Å
46	W	22.6	Very low	26.2	Very low	211 Å²	211	140.6 Å²	140.6	80%	0.799	71%	0.711	S	S	*	*			trans	-74.4	48.4	175.3	-76.2	91	0	0	0	113	V44 K48	V44-W46 PolarHBondContact O-N 3.35Å; W46-K48 PolarHBondContact O-N 3.17Å
47	T	23.2	Very low	26.7	Very low	108 Å²	108	137 Å²	137	66%	0.663	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	71.3	-175.9	53.8	0	0	0	0	111.3	T45	T45-T47 PolarHBondContact O-N 3.03Å
48	K	25.8	Very low	27.2	Very low	193 Å²	193	133.4 Å²	133.4	84%	0.839	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-159.2	-11.5	167.4	-121.4	167.2	-173.4	177.6	0	118.1	W46	W46-K48 PolarHBondContact O-N 3.17Å
49	T	28.4	Very low	28.1	Very low	97 Å²	97	128 Å²	128	60%	0.595	66%	0.66	S	S	*	*	S	Bend	trans	-94.8	-19	-172.3	-24.3	0	0	0	0	114.9	S52	T49-S52 PolarHBondContact O-OG 2.97Å; T49-S52 VanDerWaalsContact O-OG 3.07Å
50	E	26.5	Very low	28.6	Very low	139 Å²	139	126.7 Å²	126.7	65%	0.65	64%	0.643	S	S	*	*	H	α-helix	trans	-80.2	-23.5	-175	-66.9	166.7	135.2	0	0	113.4	S52 S53 E54	E50-S52 VanDerWaalsContact C-N 3.33Å; E50-S52 PolarHBondContact O-N 3.26Å; E50-S53 PolarHBondContact O-N 3.45Å; E50-S53 PolarHBondContact O-OG 3.46Å; E50-E54 PolarHBondContact O-N 3.03Å
51	R	28.6	Very low	29.6	Very low	196 Å²	196	118.1 Å²	118.1	74%	0.74	62%	0.618	S	S	*	*	H	α-helix	trans	-69.2	-23.7	-177.3	-77.4	-173.3	174.4	179.9	-1.1	114.8	T55	R51-T55 WeakPolarHBondContact O-CB 3.29Å; R51-T55 WeakPolarHBondContact O-CG2 3.37Å; R51-T55 PolarHBondContact O-N 3.45Å; R51-T55 VanDerWaalsContact O-N 3.15Å; R51-T55 PolarHBondContact O-OG1 2.95Å
52	S	31.1	Very low	30.3	Very low	77 Å²	77	114.8 Å²	114.8	54%	0.538	60%	0.597	S	S	.	*	H	α-helix	trans	-72.4	-36.8	174.7	29.4	0	0	0	0	111.9	T49 E50 T55 A56	T49-S52 PolarHBondContact O-OG 2.97Å; T49-S52 VanDerWaalsContact O-OG 3.07Å; E50-S52 VanDerWaalsContact C-N 3.33Å; E50-S52 PolarHBondContact O-N 3.26Å; S52-T55 PolarHBondContact O-OG1 3.44Å; S52-A56 WeakPolarHBondContact O-CB 3.31Å; S52-A56 PolarHBondContact O-N 3.28Å
53	S	31.2	Very low	30.8	Very low	74 Å²	74	109.4 Å²	109.4	52%	0.517	58%	0.577	S	S	.	*	H	α-helix	trans	-70.1	-43.8	174.2	27.3	0	0	0	0	112.5	E50 A56 L57	E50-S53 PolarHBondContact O-N 3.45Å; E50-S53 PolarHBondContact O-OG 3.46Å; S53-A56 PolarHBondContact O-N 2.91Å; S53-L57 WeakPolarHBondContact O-CB 3.39Å; S53-L57 PolarHBondContact O-N 3.22Å; S53-L57 VanDerWaalsContact O-N 3.09Å
54	E	31.2	Very low	31.3	Very low	121 Å²	121	110 Å²	110	57%	0.565	57%	0.567	S	S	*	*	H	α-helix	trans	-63.6	-46.7	178.2	-69.4	-179.2	129	0	0	111.9	E50 A56 L57 E58	E50-E54 PolarHBondContact O-N 3.03Å; E54-A56 VanDerWaalsContact C-N 3.35Å; E54-A56 PolarHBondContact O-N 3.48Å; E54-L57 PolarHBondContact O-N 3.28Å; E54-E58 WeakPolarHBondContact O-CB 3.48Å; E54-E58 WeakPolarHBondContact O-CG 3.46Å; E54-E58 PolarHBondContact O-N 3.31Å
55	T	36.1	Very low	32.1	Very low	86 Å²	86	112.8 Å²	112.8	53%	0.528	57%	0.565	S	S	.	*	H	α-helix	trans	-67.5	-31.8	-179.6	49.3	0	0	0	0	113.4	R51 S52 S59	R51-T55 WeakPolarHBondContact O-CB 3.29Å; R51-T55 WeakPolarHBondContact O-CG2 3.37Å; R51-T55 PolarHBondContact O-N 3.45Å; R51-T55 VanDerWaalsContact O-N 3.15Å; R51-T55 PolarHBondContact O-OG1 2.95Å; S52-T55 PolarHBondContact O-OG1 3.44Å; T55-S59 WeakPolarHBondContact O-CB 3.48Å; T55-S59 PolarHBondContact O-N 3.44Å; T55-S59 PolarHBondContact O-OG 2.82Å
56	A	33.2	Very low	32.9	Very low	53 Å²	53	111.4 Å²	111.4	44%	0.438	55%	0.553	S	S	.	*	H	α-helix	trans	-62.9	-50.7	169.2	0	0	0	0	0	111.2	S52 S53 E54 E58 S59 E60	S52-A56 WeakPolarHBondContact O-CB 3.31Å; S52-A56 PolarHBondContact O-N 3.28Å; S53-A56 PolarHBondContact O-N 2.91Å; E54-A56 VanDerWaalsContact C-N 3.35Å; E54-A56 PolarHBondContact O-N 3.48Å; A56-E58 PolarHBondContact O-N 2.9Å; A56-S59 PolarHBondContact O-N 2.89Å; A56-S59 VanDerWaalsContact O-N 3.16Å; A56-S59 PolarHBondContact O-OG 3.47Å; A56-E60 PolarHBondContact O-N 3.39Å
57	L	34.4	Very low	33.5	Very low	112 Å²	112	104 Å²	104	59%	0.586	53%	0.529	S	S	*	.	H	α-helix	trans	-66.3	-37.2	-177.7	-154.2	77.3	0	0	0	112.8	S53 E54 T61	S53-L57 WeakPolarHBondContact O-CB 3.39Å; S53-L57 PolarHBondContact O-N 3.22Å; S53-L57 VanDerWaalsContact O-N 3.09Å; E54-L57 PolarHBondContact O-N 3.28Å; L57-T61 VanDerWaalsContact O-CB 3.27Å; L57-T61 WeakPolarHBondContact O-CB 3.34Å; L57-T61 PolarHBondContact O-N 2.9Å; L57-T61 PolarHBondContact O-OG1 2.87Å
58	E	34.5	Very low	34	Very low	133 Å²	133	102.2 Å²	102.2	62%	0.621	53%	0.525	S	S	*	.	H	α-helix	trans	-66.4	-37.9	172.5	-74.8	-165.4	132.9	0	0	111.9	E54 A56 S62	E54-E58 WeakPolarHBondContact O-CB 3.48Å; E54-E58 WeakPolarHBondContact O-CG 3.46Å; E54-E58 PolarHBondContact O-N 3.31Å; A56-E58 PolarHBondContact O-N 2.9Å; E58-S62 WeakPolarHBondContact O-CB 3.46Å; E58-S62 PolarHBondContact O-N 3.29Å; E58-S62 PolarHBondContact O-OG 3.28Å
59	S	42.1	Very low	34.4	Very low	44 Å²	44	97.2 Å²	97.2	31%	0.308	51%	0.514	S	S	.	.	H	α-helix	trans	-66.2	-41.8	176.7	79.5	0	0	0	0	111.9	T55 A56 S62 L63	T55-S59 WeakPolarHBondContact O-CB 3.48Å; T55-S59 PolarHBondContact O-N 3.44Å; T55-S59 PolarHBondContact O-OG 2.82Å; A56-S59 PolarHBondContact O-N 2.89Å; A56-S59 VanDerWaalsContact O-N 3.16Å; A56-S59 PolarHBondContact O-OG 3.47Å; S59-S62 PolarHBondContact O-N 3.29Å; S59-L63 PolarHBondContact O-N 2.76Å
60	E	34.8	Very low	34.9	Very low	83 Å²	83	96 Å²	96	39%	0.388	50%	0.502	S	S	.	.	H	α-helix	trans	-68.9	-43.8	177.3	-158.8	-156.5	143.6	0	0	111.4	A56 S62 L63 R64	A56-E60 PolarHBondContact O-N 3.39Å; E60-S62 VanDerWaalsContact C-N 3.28Å; E60-S62 PolarHBondContact O-N 2.81Å; E60-L63 PolarHBondContact O-N 3.28Å; E60-R64 WeakPolarHBondContact O-CB 3.32Å; E60-R64 WeakPolarHBondContact O-CG 3.21Å; E60-R64 PolarHBondContact O-N 3.1Å; E60-R64 IonicContact OE1-CZ 2.6Å; E60-R64 IonicContact OE1-NE 2.66Å; E60-R64 PolarHBondContact OE1-NE 2.97Å; E60-R64 IonicContact OE1-NH2 3.12Å; E60-R64 PolarHBondContact OE1-NH2 3.37Å
61	T	39.8	Very low	35.2	Very low	55 Å²	55	96.3 Å²	96.3	34%	0.337	50%	0.503	S	S	.	.	H	α-helix	trans	-63.5	-36.2	176.2	-56.9	0	0	0	0	111.5	L57 R65	L57-T61 VanDerWaalsContact O-CB 3.27Å; L57-T61 WeakPolarHBondContact O-CB 3.34Å; L57-T61 PolarHBondContact O-N 2.9Å; L57-T61 PolarHBondContact O-OG1 2.87Å; T61-R65 WeakPolarHBondContact O-CG 3.48Å; T61-R65 PolarHBondContact O-N 3Å
62	S	40.3	Very low	35.3	Very low	56 Å²	56	95.4 Å²	95.4	39%	0.392	51%	0.505	S	S	.	.	H	α-helix	trans	-69.1	-42.6	175	-61.1	0	0	0	0	111.9	E58 S59 E60 R65 I66	E58-S62 WeakPolarHBondContact O-CB 3.46Å; E58-S62 PolarHBondContact O-N 3.29Å; E58-S62 PolarHBondContact O-OG 3.28Å; S59-S62 PolarHBondContact O-N 3.29Å; E60-S62 VanDerWaalsContact C-N 3.28Å; E60-S62 PolarHBondContact O-N 2.81Å; S62-R65 PolarHBondContact O-N 3.4Å; S62-I66 VanDerWaalsContact O-CG1 3.32Å; S62-I66 WeakPolarHBondContact O-CG1 3.45Å; S62-I66 PolarHBondContact O-N 2.94Å
63	L	35.6	Very low	35.5	Very low	81 Å²	81	96.7 Å²	96.7	42%	0.424	51%	0.514	S	S	.	.	H	α-helix	trans	-60.7	-46.1	172.9	-82.5	164.1	0	0	0	111.8	S59 E60 R65 I66 I67	S59-L63 PolarHBondContact O-N 2.76Å; E60-L63 PolarHBondContact O-N 3.28Å; L63-R65 VanDerWaalsContact C-N 3.31Å; L63-R65 PolarHBondContact O-N 3.4Å; L63-I66 PolarHBondContact O-N 3.3Å; L63-I67 VanDerWaalsContact O-CG1 3.31Å; L63-I67 WeakPolarHBondContact O-CG1 3.45Å; L63-I67 PolarHBondContact O-N 2.71Å
64	R	34.8	Very low	35.9	Very low	170 Å²	170	98.8 Å²	98.8	64%	0.642	52%	0.515	S	S	*	.	H	α-helix	trans	-60	-37.8	175.2	-72	178.7	-176.4	-116.7	8.5	112.2	E60 A68	E60-R64 WeakPolarHBondContact O-CB 3.32Å; E60-R64 WeakPolarHBondContact O-CG 3.21Å; E60-R64 PolarHBondContact O-N 3.1Å; E60-R64 IonicContact OE1-CZ 2.6Å; E60-R64 IonicContact OE1-NE 2.66Å; E60-R64 PolarHBondContact OE1-NE 2.97Å; E60-R64 IonicContact OE1-NH2 3.12Å; E60-R64 PolarHBondContact OE1-NH2 3.37Å; R64-A68 WeakPolarHBondContact O-CB 3.49Å; R64-A68 PolarHBondContact O-N 2.88Å
65	R	38	Very low	36.5	Very low	176 Å²	176	98.7 Å²	98.7	66%	0.664	52%	0.523	S	S	*	.	H	α-helix	trans	-67.6	-43.2	173.9	-75.3	176.9	-169.3	159	6.6	112.9	T61 S62 L63 A68 S69	T61-R65 WeakPolarHBondContact O-CG 3.48Å; T61-R65 PolarHBondContact O-N 3Å; S62-R65 PolarHBondContact O-N 3.4Å; L63-R65 VanDerWaalsContact C-N 3.31Å; L63-R65 PolarHBondContact O-N 3.4Å; R65-A68 PolarHBondContact O-N 3.24Å; R65-S69 PolarHBondContact O-N 3.39Å; R65-S69 PolarHBondContact O-OG 2.84Å
66	I	38.8	Very low	37.2	Very low	74 Å²	74	98.1 Å²	98.1	38%	0.379	52%	0.517	S	S	.	.	H	α-helix	trans	-59.9	-49.3	176.9	-69.6	163	0	0	0	109.8	S62 L63 A68 S69 E70	S62-I66 VanDerWaalsContact O-CG1 3.32Å; S62-I66 WeakPolarHBondContact O-CG1 3.45Å; S62-I66 PolarHBondContact O-N 2.94Å; L63-I66 PolarHBondContact O-N 3.3Å; I66-A68 VanDerWaalsContact C-N 3.34Å; I66-A68 PolarHBondContact O-N 3.26Å; I66-S69 PolarHBondContact O-N 3.42Å; I66-S69 VanDerWaalsContact O-N 3.1Å; I66-S69 PolarHBondContact O-OG 3.37Å; I66-E70 WeakPolarHBondContact O-CG 3.41Å; I66-E70 PolarHBondContact O-N 3.08Å
67	I	36	Very low	38.4	Very low	56 Å²	56	98.3 Å²	98.3	29%	0.287	51%	0.511	S	S	.	.	H	α-helix	trans	-58.8	-44.3	176.9	-66.7	164.9	0	0	0	111.1	L63 S69 E70	L63-I67 VanDerWaalsContact O-CG1 3.31Å; L63-I67 WeakPolarHBondContact O-CG1 3.45Å; L63-I67 PolarHBondContact O-N 2.71Å; I67-S69 VanDerWaalsContact C-N 3.29Å; I67-S69 PolarHBondContact O-N 2.57Å; I67-E70 PolarHBondContact O-N 3.02Å
68	A	33	Very low	39.3	Very low	71 Å²	71	101 Å²	101	59%	0.587	51%	0.513	S	S	*	.	H	α-helix	trans	-66.8	-26.1	177.5	0	0	0	0	0	114.1	R64 R65 I66	R64-A68 WeakPolarHBondContact O-CB 3.49Å; R64-A68 PolarHBondContact O-N 2.88Å; R65-A68 PolarHBondContact O-N 3.24Å; I66-A68 VanDerWaalsContact C-N 3.34Å; I66-A68 PolarHBondContact O-N 3.26Å
69	S	34.9	Very low	40.5	Very low	88 Å²	88	100 Å²	100	62%	0.615	51%	0.512	S	S	*	.	H	α-helix	trans	-81.8	-20.5	178.8	62.1	0	0	0	0	114.5	R65 I66 I67	R65-S69 PolarHBondContact O-N 3.39Å; R65-S69 PolarHBondContact O-OG 2.84Å; I66-S69 PolarHBondContact O-N 3.42Å; I66-S69 VanDerWaalsContact O-N 3.1Å; I66-S69 PolarHBondContact O-OG 3.37Å; I67-S69 VanDerWaalsContact C-N 3.29Å; I67-S69 PolarHBondContact O-N 2.57Å
70	E	38.4	Very low	41.6	Very low	70 Å²	70	99.3 Å²	99.3	33%	0.327	50%	0.503	S	S	.	.	H	α-helix	trans	-98.3	-3.1	-172.1	-68.5	-179.2	144.3	0	0	114.6	I66 I67 K72 Y83 K87	I66-E70 WeakPolarHBondContact O-CG 3.41Å; I66-E70 PolarHBondContact O-N 3.08Å; I67-E70 PolarHBondContact O-N 3.02Å; E70-K72 PolarHBondContact O-N 2.97Å; E70-Y83 PolarHBondContact OE1-OH 2.95Å; E70-Y83 PolarHBondContact OE2-OH 3.24Å; E70-K87 IonicContact OE2-NZ 2.67Å; E70-K87 PolarHBondContact OE2-NZ 2.73Å
71	Q	31.8	Very low	42.9	Very low	146 Å²	146	97 Å²	97	68%	0.682	49%	0.494	S	S	*	.			trans	-72.1	33.5	-179.8	-73.1	-169.5	-28.9	0	0	114.9
72	K	31.6	Very low	44.1	Very low	177 Å²	177	97.1 Å²	97.1	77%	0.77	49%	0.494	S	S	*	.	S	Bend	trans	-122.6	100.8	172	-77.8	-172.6	175.1	179.5	0	112.1	E70	E70-K72 PolarHBondContact O-N 2.97Å
73	S	34.5	Very low	45.7	Very low	105 Å²	105	97.9 Å²	97.9	73%	0.734	49%	0.489	S	S	*	.			trans	56.4	72.2	150.8	61.4	0	0	0	0	118.1
74	H	39.3	Very low	47	Very low	117 Å²	117	94.5 Å²	94.5	54%	0.542	47%	0.472	S	S	.	.			trans	-132.9	107.8	144.4	-78.2	-63.2	0	0	0	110.3	Y80 Q133	H74-Y80 HydrophobicContact CB-CD2 3.77Å; H74-Y80 HydrophobicContact CB-CE2 4.41Å; H74-Y80 HydrophobicContact CB-CG 4.12Å; H74-Q133 PolarHBondContact O-NE2 2.96Å
75	T	44.1	Very low	48.4	Very low	120 Å²	120	89.2 Å²	89.2	74%	0.736	46%	0.461	S	S	*	.			trans	-105.4	122.2	175.7	49.6	0	0	0	0	109.9	D77	T75-D77 VanDerWaalsContact C-N 3.29Å; T75-D77 PolarHBondContact O-N 2.82Å
76	N	52.4	Low	50	Low	74 Å²	74	86.8 Å²	86.8	40%	0.396	46%	0.457	S	S	.	.	S	Bend	trans	54.2	31.9	172.7	-71.1	-38.1	0	0	0	116.6	Q133	N76-Q133 PolarHBondContact OD1-O 3Å
77	D	57.1	Low	51.5	Low	57 Å²	57	85.4 Å²	85.4	31%	0.305	45%	0.448	S	S	.	.			trans	-86.3	134.6	164.7	-171.2	-3.5	0	0	0	110.5	T75 N79 Y80 V81	T75-D77 VanDerWaalsContact C-N 3.29Å; T75-D77 PolarHBondContact O-N 2.82Å; D77-N79 VanDerWaalsContact CG-ND2 3.33Å; D77-N79 PolarHBondContact O-N 2.92Å; D77-N79 PolarHBondContact OD1-N 2.74Å; D77-N79 PolarHBondContact OD1-ND2 2.93Å; D77-N79 VanDerWaalsContact OD1-ND2 3.08Å; D77-N79 WeakPolarHBondContact OD2-CB 3.11Å; D77-N79 PolarHBondContact OD2-ND2 3.13Å; D77-Y80 WeakPolarHBondContact O-CB 3.35Å; D77-Y80 PolarHBondContact O-N 2.95Å; D77-V81 PolarHBondContact O-N 3.17Å
78	R	52.9	Low	53.1	Low	167 Å²	167	84.5 Å²	84.5	63%	0.63	44%	0.444	S	S	*	.	H	α-helix	trans	-55.7	-34.4	171.8	-176	176.4	178	-172.3	-4.6	111.5	Y80 V81 V82	R78-Y80 VanDerWaalsContact C-N 3.27Å; R78-Y80 PolarHBondContact O-N 3.5Å; R78-V81 PolarHBondContact O-N 3.46Å; R78-V82 WeakPolarHBondContact O-CG2 3.43Å; R78-V82 PolarHBondContact O-N 3.39Å
79	N	60.7	Low	54.7	Low	112 Å²	112	84.8 Å²	84.8	60%	0.599	44%	0.435	S	S	*	.	H	α-helix	trans	-61.8	-34.9	175.7	-59.1	-50.3	0	0	0	112.2	D77 V82 Y83	D77-N79 VanDerWaalsContact CG-ND2 3.33Å; D77-N79 PolarHBondContact O-N 2.92Å; D77-N79 PolarHBondContact OD1-N 2.74Å; D77-N79 PolarHBondContact OD1-ND2 2.93Å; D77-N79 VanDerWaalsContact OD1-ND2 3.08Å; D77-N79 WeakPolarHBondContact OD2-CB 3.11Å; D77-N79 PolarHBondContact OD2-ND2 3.13Å; N79-V82 PolarHBondContact O-N 3.03Å; N79-Y83 WeakPolarHBondContact O-CB 3.4Å; N79-Y83 PolarHBondContact O-N 3.3Å
80	Y	64.8	Low	56.5	Low	31 Å²	31	84.3 Å²	84.3	12%	0.122	43%	0.426	C	S	.	.	H	α-helix	trans	-73.7	-36.4	177.8	-167.2	-98.3	0	0	0	112	H74 D77 R78 Y83 L84 E129 Q133	H74-Y80 HydrophobicContact CB-CD2 3.77Å; H74-Y80 HydrophobicContact CB-CE2 4.41Å; H74-Y80 HydrophobicContact CB-CG 4.12Å; D77-Y80 WeakPolarHBondContact O-CB 3.35Å; D77-Y80 PolarHBondContact O-N 2.95Å; R78-Y80 VanDerWaalsContact C-N 3.27Å; R78-Y80 PolarHBondContact O-N 3.5Å; Y80-Y83 HydrophobicContact CD2-CD1 4.38Å; Y80-Y83 HydrophobicContact CE2-CD1 4.3Å; Y80-Y83 PolarHBondContact O-N 2.92Å; Y80-L84 HydrophobicContact CD1-CD1 4.01Å; Y80-L84 HydrophobicContact CD1-CG 4.3Å; Y80-L84 HydrophobicContact CE1-CD1 3.7Å; Y80-L84 HydrophobicContact CE1-CD2 4.43Å; Y80-L84 HydrophobicContact CE1-CG 4.03Å; Y80-L84 WeakPolarHBondContact O-CG 3.37Å; Y80-L84 PolarHBondContact O-N 2.9Å; Y80-E129 HydrophobicContact CE1-CG 4.23Å; Y80-E129 WeakPolarHBondContact OH-CG 3.36Å; Y80-Q133 HydrophobicContact CD1-CG 4.35Å; Y80-Q133 HydrophobicContact CE1-CG 4.28Å; Y80-Q133 VanDerWaalsContact CE1-NE2 3.27Å
81	V	62.9	Low	57.7	Low	33 Å²	33	82.5 Å²	82.5	20%	0.2	42%	0.418	C	S	.	.	H	α-helix	trans	-66.3	-40.2	172.5	-177.8	0	0	0	0	111.1	D77 R78 L84 S85 L665 M668	D77-V81 PolarHBondContact O-N 3.17Å; R78-V81 PolarHBondContact O-N 3.46Å; V81-L84 PolarHBondContact O-N 2.9Å; V81-S85 PolarHBondContact O-N 3.09Å; V81-L665 HydrophobicContact CG1-CD2 3.85Å; V81-M668 HydrophobicContact CG2-CE 4.03Å
82	V	64.9	Low	59.1	Low	58 Å²	58	78.4 Å²	78.4	35%	0.352	40%	0.403	S	S	.	.	H	α-helix	trans	-62.4	-45.1	172.3	171.1	0	0	0	0	110.8	R78 N79 L84 S85 E86	R78-V82 WeakPolarHBondContact O-CG2 3.43Å; R78-V82 PolarHBondContact O-N 3.39Å; N79-V82 PolarHBondContact O-N 3.03Å; V82-L84 PolarHBondContact O-N 3.38Å; V82-S85 CarbonylContact O-C 3.59Å; V82-S85 WeakPolarHBondContact O-CA 3.33Å; V82-S85 WeakPolarHBondContact O-CB 3.48Å; V82-S85 PolarHBondContact O-N 2.96Å; V82-S85 VanDerWaalsContact O-N 3.09Å; V82-E86 HydrophobicContact CG1-CG 4.44Å; V82-E86 PolarHBondContact O-N 3.03Å
83	Y	72.4	Confident	60.7	Low	72 Å²	72	77.9 Å²	77.9	28%	0.282	40%	0.396	S	S	.	.	H	α-helix	trans	-58	-45.7	175.3	174.2	-126.3	0	0	0	112.5	E70 N79 Y80 S85 E86 K87	E70-Y83 PolarHBondContact OE1-OH 2.95Å; E70-Y83 PolarHBondContact OE2-OH 3.24Å; N79-Y83 WeakPolarHBondContact O-CB 3.4Å; N79-Y83 PolarHBondContact O-N 3.3Å; Y80-Y83 HydrophobicContact CD2-CD1 4.38Å; Y80-Y83 HydrophobicContact CE2-CD1 4.3Å; Y80-Y83 PolarHBondContact O-N 2.92Å; Y83-S85 VanDerWaalsContact C-N 3.31Å; Y83-S85 PolarHBondContact O-N 3.37Å; Y83-E86 PolarHBondContact O-N 3.36Å; Y83-K87 HydrophobicContact CE1-CD 4.22Å; Y83-K87 HydrophobicContact CE2-CD 4.36Å; Y83-K87 VanDerWaalsContact O-CB 3.28Å; Y83-K87 WeakPolarHBondContact O-CB 3.4Å; Y83-K87 PolarHBondContact O-N 2.96Å; Y83-K87 WeakPolarHBondContact OH-CE 3.48Å; Y83-K87 PolarHBondContact OH-NZ 3.34Å
84	L	63.6	Low	62.1	Low	11 Å²	11	80.1 Å²	80.1	6%	0.058	39%	0.393	C	S	.	.	H	α-helix	trans	-62.5	-37.1	174.5	-71.5	178.5	0	0	0	112.2	Y80 V81 V82 K87 L88 I126 E129 V130	Y80-L84 HydrophobicContact CD1-CD1 4.01Å; Y80-L84 HydrophobicContact CD1-CG 4.3Å; Y80-L84 HydrophobicContact CE1-CD1 3.7Å; Y80-L84 HydrophobicContact CE1-CD2 4.43Å; Y80-L84 HydrophobicContact CE1-CG 4.03Å; Y80-L84 WeakPolarHBondContact O-CG 3.37Å; Y80-L84 PolarHBondContact O-N 2.9Å; V81-L84 PolarHBondContact O-N 2.9Å; V82-L84 PolarHBondContact O-N 3.38Å; L84-K87 PolarHBondContact O-N 3.26Å; L84-L88 WeakPolarHBondContact O-CB 3.33Å; L84-L88 PolarHBondContact O-N 3.27Å; L84-I126 HydrophobicContact CB-CG2 4.34Å; L84-I126 HydrophobicContact CD2-CG2 4.46Å; L84-E129 HydrophobicContact CD1-CB 4.33Å; L84-E129 HydrophobicContact CD1-CG 4.38Å; L84-E129 HydrophobicContact CD2-CB 4.24Å; L84-E129 HydrophobicContact CD2-CG 4.18Å; L84-V130 HydrophobicContact CD1-CG2 3.99Å
85	S	64	Low	62.9	Low	59 Å²	59	75 Å²	75	41%	0.413	37%	0.369	S	S	.	.	H	α-helix	trans	-65.3	-45.2	174.3	-163.8	0	0	0	0	112	V81 V82 Y83 K87 L88 D89	V81-S85 PolarHBondContact O-N 3.09Å; V82-S85 CarbonylContact O-C 3.59Å; V82-S85 WeakPolarHBondContact O-CA 3.33Å; V82-S85 WeakPolarHBondContact O-CB 3.48Å; V82-S85 PolarHBondContact O-N 2.96Å; V82-S85 VanDerWaalsContact O-N 3.09Å; Y83-S85 VanDerWaalsContact C-N 3.31Å; Y83-S85 PolarHBondContact O-N 3.37Å; S85-K87 VanDerWaalsContact C-N 3.32Å; S85-K87 PolarHBondContact O-N 2.75Å; S85-L88 WeakPolarHBondContact O-CB 3.36Å; S85-L88 PolarHBondContact O-N 3.27Å; S85-D89 WeakPolarHBondContact O-CB 3.24Å; S85-D89 PolarHBondContact O-N 3.4Å
86	E	72.1	Confident	63.4	Low	124 Å²	124	75 Å²	75	58%	0.579	36%	0.361	S	S	*	.	H	α-helix	trans	-64.2	-37.2	175.4	-71.5	-172.4	163.5	0	0	111.9	V82 Y83 D89 N90	V82-E86 HydrophobicContact CG1-CG 4.44Å; V82-E86 PolarHBondContact O-N 3.03Å; Y83-E86 PolarHBondContact O-N 3.36Å; E86-D89 WeakPolarHBondContact O-CB 3.38Å; E86-D89 PolarHBondContact O-N 3Å; E86-N90 WeakPolarHBondContact O-CB 3.3Å; E86-N90 PolarHBondContact O-N 3.44Å
87	K	70.9	Confident	63.3	Low	45 Å²	45	73.8 Å²	73.8	20%	0.196	35%	0.354	C	S	.	.	H	α-helix	trans	-64.6	-41.9	175.8	-156	167.3	-168.4	164.4	0	110.8	E70 Y83 L84 S85 N90 I91 I126	E70-K87 IonicContact OE2-NZ 2.67Å; E70-K87 PolarHBondContact OE2-NZ 2.73Å; Y83-K87 HydrophobicContact CE1-CD 4.22Å; Y83-K87 HydrophobicContact CE2-CD 4.36Å; Y83-K87 VanDerWaalsContact O-CB 3.28Å; Y83-K87 WeakPolarHBondContact O-CB 3.4Å; Y83-K87 PolarHBondContact O-N 2.96Å; Y83-K87 WeakPolarHBondContact OH-CE 3.48Å; Y83-K87 PolarHBondContact OH-NZ 3.34Å; L84-K87 PolarHBondContact O-N 3.26Å; S85-K87 VanDerWaalsContact C-N 3.32Å; S85-K87 PolarHBondContact O-N 2.75Å; K87-N90 PolarHBondContact O-N 2.92Å; K87-I91 WeakPolarHBondContact O-CD1 3.43Å; K87-I91 VanDerWaalsContact O-CG1 3.28Å; K87-I91 WeakPolarHBondContact O-CG1 3.37Å; K87-I91 PolarHBondContact O-N 3.17Å; K87-I126 HydrophobicContact CB-CD1 4Å; K87-I126 HydrophobicContact CG-CD1 4.21Å
88	L	68	Low	62.7	Low	38 Å²	38	74.3 Å²	74.3	20%	0.199	37%	0.373	C	S	.	.	H	α-helix	trans	-62.7	-50	173.4	-177	64.6	0	0	0	111.3	L84 S85 N90 I91 V92 I123 I126 L661	L84-L88 WeakPolarHBondContact O-CB 3.33Å; L84-L88 PolarHBondContact O-N 3.27Å; S85-L88 WeakPolarHBondContact O-CB 3.36Å; S85-L88 PolarHBondContact O-N 3.27Å; L88-N90 VanDerWaalsContact C-N 3.28Å; L88-N90 PolarHBondContact O-N 2.96Å; L88-I91 WeakPolarHBondContact O-CB 3.27Å; L88-I91 PolarHBondContact O-N 3.38Å; L88-V92 WeakPolarHBondContact O-CG2 3.49Å; L88-V92 PolarHBondContact O-N 2.86Å; L88-I123 HydrophobicContact CD1-CG1 3.84Å; L88-I126 HydrophobicContact CB-CD1 3.81Å; L88-I126 HydrophobicContact CD1-CD1 4.29Å; L88-L661 HydrophobicContact CD2-CD2 4.3Å
89	D	67.3	Low	62.3	Low	76 Å²	76	73 Å²	73	41%	0.406	37%	0.374	S	S	.	.	H	α-helix	trans	-56.5	-39.1	176.7	-109.5	29.9	0	0	0	113.2	S85 E86 R93	S85-D89 WeakPolarHBondContact O-CB 3.24Å; S85-D89 PolarHBondContact O-N 3.4Å; E86-D89 WeakPolarHBondContact O-CB 3.38Å; E86-D89 PolarHBondContact O-N 3Å; D89-R93 VanDerWaalsContact O-CB 3.29Å; D89-R93 WeakPolarHBondContact O-CB 3.38Å; D89-R93 WeakPolarHBondContact O-CG 3.49Å; D89-R93 PolarHBondContact O-N 3.37Å; D89-R93 PolarHBondContact O-NE 3.01Å; D89-R93 IonicContact OD2-CZ 3.89Å; D89-R93 IonicContact OD2-NH2 2.86Å; D89-R93 PolarHBondContact OD2-NH2 3.16Å
90	N	72.5	Confident	61.4	Low	78 Å²	78	79.2 Å²	79.2	42%	0.417	39%	0.389	S	S	.	.	H	α-helix	trans	-74.8	-36.8	179.9	-163.2	-21.8	0	0	0	111.2	E86 K87 L88 K94	E86-N90 WeakPolarHBondContact O-CB 3.3Å; E86-N90 PolarHBondContact O-N 3.44Å; K87-N90 PolarHBondContact O-N 2.92Å; L88-N90 VanDerWaalsContact C-N 3.28Å; L88-N90 PolarHBondContact O-N 2.96Å; N90-K94 WeakPolarHBondContact O-CB 3.31Å; N90-K94 VanDerWaalsContact O-CG 3.29Å; N90-K94 WeakPolarHBondContact O-CG 3.42Å; N90-K94 PolarHBondContact O-N 3.06Å; N90-K94 WeakPolarHBondContact OD1-CE 3.33Å; N90-K94 PolarHBondContact OD1-NZ 3.48Å
91	I	64	Low	60.3	Low	32 Å²	32	81.5 Å²	81.5	16%	0.164	41%	0.41	C	S	.	.	H	α-helix	trans	-61	-54.3	168.8	-70.3	159.2	0	0	0	109.6	K87 L88 R93 K94 T95 I126	K87-I91 WeakPolarHBondContact O-CD1 3.43Å; K87-I91 VanDerWaalsContact O-CG1 3.28Å; K87-I91 WeakPolarHBondContact O-CG1 3.37Å; K87-I91 PolarHBondContact O-N 3.17Å; L88-I91 WeakPolarHBondContact O-CB 3.27Å; L88-I91 PolarHBondContact O-N 3.38Å; I91-R93 VanDerWaalsContact C-N 3.33Å; I91-R93 PolarHBondContact O-N 2.94Å; I91-K94 PolarHBondContact O-N 2.73Å; I91-K94 VanDerWaalsContact O-N 3.14Å; I91-T95 WeakPolarHBondContact O-CB 3.35Å; I91-T95 PolarHBondContact O-N 3.47Å; I91-T95 PolarHBondContact O-OG1 3.09Å; I91-I126 HydrophobicContact CD1-CD1 3.7Å
92	V	61	Low	59.4	Low	61 Å²	61	84 Å²	84	37%	0.37	43%	0.426	S	S	.	.	H	α-helix	trans	-57.7	-43.2	-179.2	172.6	0	0	0	0	111.5	L88 T95 H96 I97	L88-V92 WeakPolarHBondContact O-CG2 3.49Å; L88-V92 PolarHBondContact O-N 2.86Å; V92-T95 PolarHBondContact O-N 2.84Å; V92-H96 PolarHBondContact O-N 3.27Å; V92-I97 HydrophobicContact CG2-CD1 4.23Å
93	R	65.9	Low	58.6	Low	166 Å²	166	83.6 Å²	83.6	63%	0.626	42%	0.421	S	S	*	.	H	α-helix	trans	-62.8	-44	175.1	-83.2	178.8	-105.8	176.3	-11.1	113	D89 I91 T95	D89-R93 VanDerWaalsContact O-CB 3.29Å; D89-R93 WeakPolarHBondContact O-CB 3.38Å; D89-R93 WeakPolarHBondContact O-CG 3.49Å; D89-R93 PolarHBondContact O-N 3.37Å; D89-R93 PolarHBondContact O-NE 3.01Å; D89-R93 IonicContact OD2-CZ 3.89Å; D89-R93 IonicContact OD2-NH2 2.86Å; D89-R93 PolarHBondContact OD2-NH2 3.16Å; I91-R93 VanDerWaalsContact C-N 3.33Å; I91-R93 PolarHBondContact O-N 2.94Å; R93-T95 VanDerWaalsContact C-N 3.29Å; R93-T95 PolarHBondContact O-N 3Å
94	K	63.3	Low	57.3	Low	152 Å²	152	87.3 Å²	87.3	66%	0.661	44%	0.442	S	S	*	.	H	α-helix	trans	-70.1	-23.3	179.4	-76.6	172.7	175.1	170.5	0	114	N90 I91	N90-K94 WeakPolarHBondContact O-CB 3.31Å; N90-K94 VanDerWaalsContact O-CG 3.29Å; N90-K94 WeakPolarHBondContact O-CG 3.42Å; N90-K94 PolarHBondContact O-N 3.06Å; N90-K94 WeakPolarHBondContact OD1-CE 3.33Å; N90-K94 PolarHBondContact OD1-NZ 3.48Å; I91-K94 PolarHBondContact O-N 2.73Å; I91-K94 VanDerWaalsContact O-N 3.14Å
95	T	55.5	Low	56.5	Low	8 Å²	8	89.1 Å²	89.1	5%	0.049	45%	0.451	C	S	.	.	H	α-helix	trans	-109.7	0.1	-173.5	51.7	0	0	0	0	113.8	I91 V92 R93 I97 V115 M118 A119	I91-T95 WeakPolarHBondContact O-CB 3.35Å; I91-T95 PolarHBondContact O-N 3.47Å; I91-T95 PolarHBondContact O-OG1 3.09Å; V92-T95 PolarHBondContact O-N 2.84Å; R93-T95 VanDerWaalsContact C-N 3.29Å; R93-T95 PolarHBondContact O-N 3Å; T95-I97 PolarHBondContact O-N 3.2Å; T95-I97 WeakPolarHBondContact OG1-CD1 3.42Å; T95-I97 WeakPolarHBondContact OG1-CG1 3.49Å; T95-V115 HydrophobicContact CG2-CG1 4.19Å; T95-V115 WeakPolarHBondContact O-CG1 3.34Å; T95-M118 HydrophobicContact CG2-CB 4.5Å; T95-M118 HydrophobicContact CG2-CG 4.41Å; T95-M118 HydrophobicContact CG2-SD 4.34Å; T95-A119 HydrophobicContact CG2-CB 4.26Å
96	H	55.9	Low	55.8	Low	121 Å²	121	86.3 Å²	86.3	56%	0.56	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	32.9	173.1	-64.9	-98.9	0	0	0	114.9	V92 G98 E99	V92-H96 PolarHBondContact O-N 3.27Å; H96-G98 PolarHBondContact O-N 3.42Å; H96-E99 IonicContact ND1-OE1 2.71Å; H96-E99 PolarHBondContact O-N 3.49Å
97	I	49.4	Very low	54.9	Low	49 Å²	49	84 Å²	84	25%	0.251	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	62.2	-166.7	-31.8	153.6	0	0	0	113.8	V92 T95 A119 I123 K654	V92-I97 HydrophobicContact CG2-CD1 4.23Å; T95-I97 PolarHBondContact O-N 3.2Å; T95-I97 WeakPolarHBondContact OG1-CD1 3.42Å; T95-I97 WeakPolarHBondContact OG1-CG1 3.49Å; I97-A119 HydrophobicContact CD1-CB 3.37Å; I97-A119 HydrophobicContact CG1-CB 3.79Å; I97-I123 HydrophobicContact CD1-CD1 4.24Å; I97-K654 PolarHBondContact O-NZ 3.21Å
98	G	43.8	Very low	54.3	Low	67 Å²	67	85.3 Å²	85.3	69%	0.691	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-170	-22.3	178.4	0	0	0	0	0	114.1	H96 R100	H96-G98 PolarHBondContact O-N 3.42Å; G98-R100 PolarHBondContact O-N 2.7Å
99	E	45.7	Very low	53.7	Low	140 Å²	140	83.8 Å²	83.8	65%	0.654	42%	0.422	S	S	*	.			trans	-66.9	114.3	177.2	-69.4	179.4	-162.9	0	0	110.5	H96 S101	H96-E99 IonicContact ND1-OE1 2.71Å; H96-E99 PolarHBondContact O-N 3.49Å; E99-S101 PolarHBondContact O-N 3.42Å
100	R	42	Very low	53.5	Low	242 Å²	242	82.1 Å²	82.1	91%	0.913	41%	0.412	S	S	*	.			trans	-78.1	59.3	176.3	-75.7	-178.6	162.6	-171.3	-5.9	111.5	G98	G98-R100 PolarHBondContact O-N 2.7Å
101	S	42.1	Very low	52.9	Low	80 Å²	80	86.9 Å²	86.9	56%	0.559	42%	0.424	S	S	*	.			trans	-66.9	133.6	163.9	48.9	0	0	0	0	109.6	E99	E99-S101 PolarHBondContact O-N 3.42Å
102	P	42.4	Very low	52.9	Low	84 Å²	84	88.1 Å²	88.1	55%	0.545	43%	0.428	S	S	.	.			trans	-65.5	142.9	164.4	28.9	-32.8	0	0	0	109	E104	P102-E104 HydrophobicContact CB-CG 4.11Å; P102-E104 HydrophobicContact CG-CG 4.05Å; P102-E104 PolarHBondContact O-N 3.15Å
103	I	49.7	Very low	53	Low	50 Å²	50	87 Å²	87	26%	0.256	42%	0.419	S	S	.	.			trans	-90.5	102.1	172.7	-57.7	176.6	0	0	0	106.3	Q108 L109 F112 W643	I103-Q108 HydrophobicContact CG2-CB 4.1Å; I103-L109 HydrophobicContact CD1-CD1 4.04Å; I103-L109 HydrophobicContact CG2-CB 3.84Å; I103-L109 HydrophobicContact CG2-CD1 4.35Å; I103-F112 HydrophobicContact CD1-CB 3.98Å; I103-F112 HydrophobicContact CD1-CD1 3.82Å; I103-F112 HydrophobicContact CD1-CD2 4.17Å; I103-F112 HydrophobicContact CD1-CE1 4.41Å; I103-F112 HydrophobicContact CD1-CG 3.7Å; I103-W643 HydrophobicContact CD1-CH2 4.45Å; I103-W643 HydrophobicContact CD1-CZ2 4.36Å
104	E	44.1	Very low	53	Low	151 Å²	151	84 Å²	84	71%	0.706	41%	0.412	S	S	*	.			trans	-99.9	-10.6	-172.3	-60.2	180	161.1	0	0	112.7	P102	P102-E104 HydrophobicContact CB-CG 4.11Å; P102-E104 HydrophobicContact CG-CG 4.05Å; P102-E104 PolarHBondContact O-N 3.15Å
105	N	47.8	Very low	52.9	Low	48 Å²	48	79.5 Å²	79.5	26%	0.257	40%	0.397	S	S	.	.	S	Bend	trans	-154.8	162.4	179.5	55.8	75.1	0	0	0	113.3	D107 Q108 L109	N105-D107 VanDerWaalsContact C-N 3.25Å; N105-D107 PolarHBondContact O-N 2.67Å; N105-D107 PolarHBondContact OD1-N 2.89Å; N105-Q108 PolarHBondContact ND2-NE2 2.93Å; N105-Q108 PolarHBondContact ND2-OE1 3.43Å; N105-Q108 WeakPolarHBondContact O-CB 3.4Å; N105-Q108 PolarHBondContact O-N 3.01Å; N105-Q108 VanDerWaalsContact O-N 3.15Å; N105-Q108 WeakPolarHBondContact OD1-CG 3.42Å; N105-Q108 PolarHBondContact OD1-N 3.21Å; N105-L109 PolarHBondContact O-N 3.41Å
106	A	48.6	Very low	53.3	Low	1 Å²	1	79.9 Å²	79.9	1%	0.008	40%	0.4	C	S	.	.	H	α-helix	trans	-58.9	-33.3	-179.2	0	0	0	0	0	113.4	Q108 L109 Q110 Y167 M170	A106-Q108 VanDerWaalsContact C-N 3.33Å; A106-Q108 PolarHBondContact O-N 3.07Å; A106-L109 PolarHBondContact O-N 2.88Å; A106-L109 VanDerWaalsContact O-N 3.17Å; A106-Q110 PolarHBondContact O-N 2.88Å; A106-Y167 HydrophobicContact CB-CD2 4.01Å; A106-Y167 HydrophobicContact CB-CE2 3.92Å; A106-Y167 WeakPolarHBondContact O-CD2 3.44Å; A106-Y167 VanDerWaalsContact O-CE2 3.28Å; A106-Y167 WeakPolarHBondContact O-CE2 3.28Å; A106-M170 HydrophobicContact CB-CB 4.14Å; A106-M170 HydrophobicContact CB-SD 4.34Å
107	D	53.4	Low	53.9	Low	75 Å²	75	78.2 Å²	78.2	40%	0.401	39%	0.392	S	S	.	.	H	α-helix	trans	-70.5	-31.7	-179.6	-44.7	-76.1	0	0	0	111.7	N105 R111 R174	N105-D107 VanDerWaalsContact C-N 3.25Å; N105-D107 PolarHBondContact O-N 2.67Å; N105-D107 PolarHBondContact OD1-N 2.89Å; D107-R111 VanDerWaalsContact O-CG 3.31Å; D107-R111 WeakPolarHBondContact O-CG 3.37Å; D107-R111 PolarHBondContact O-N 3.01Å; D107-R174 IonicContact OD1-NH1 3.57Å; D107-R174 PolarHBondContact OD1-NH1 3.4Å; D107-R174 IonicContact OD2-CZ 2.75Å; D107-R174 IonicContact OD2-NH1 2.65Å; D107-R174 PolarHBondContact OD2-NH1 2.76Å; D107-R174 IonicContact OD2-NH2 3.31Å; D107-R174 PolarHBondContact OD2-NH2 3.36Å
108	Q	57.2	Low	54.7	Low	73 Å²	73	80.3 Å²	80.3	34%	0.341	40%	0.402	S	S	.	.	H	α-helix	trans	-72.2	-37.6	167.6	-73	167	-12	0	0	112	I103 N105 A106 F112	I103-Q108 HydrophobicContact CG2-CB 4.1Å; N105-Q108 PolarHBondContact ND2-NE2 2.93Å; N105-Q108 PolarHBondContact ND2-OE1 3.43Å; N105-Q108 WeakPolarHBondContact O-CB 3.4Å; N105-Q108 PolarHBondContact O-N 3.01Å; N105-Q108 VanDerWaalsContact O-N 3.15Å; N105-Q108 WeakPolarHBondContact OD1-CG 3.42Å; N105-Q108 PolarHBondContact OD1-N 3.21Å; A106-Q108 VanDerWaalsContact C-N 3.33Å; A106-Q108 PolarHBondContact O-N 3.07Å; Q108-F112 VanDerWaalsContact O-CB 3.25Å; Q108-F112 WeakPolarHBondContact O-CB 3.38Å; Q108-F112 PolarHBondContact O-N 3.46Å
109	L	57	Low	55.6	Low	5 Å²	5	77.2 Å²	77.2	3%	0.026	37%	0.37	C	S	.	.	H	α-helix	trans	-64.3	-43.8	175.8	-175.6	64.2	0	0	0	111.5	I103 N105 A106 F112 K113 L166 M170	I103-L109 HydrophobicContact CD1-CD1 4.04Å; I103-L109 HydrophobicContact CG2-CB 3.84Å; I103-L109 HydrophobicContact CG2-CD1 4.35Å; N105-L109 PolarHBondContact O-N 3.41Å; A106-L109 PolarHBondContact O-N 2.88Å; A106-L109 VanDerWaalsContact O-N 3.17Å; L109-F112 HydrophobicContact CD1-CD1 4.4Å; L109-F112 CarbonylContact O-C 3.46Å; L109-F112 WeakPolarHBondContact O-CB 3.28Å; L109-F112 PolarHBondContact O-N 3.35Å; L109-K113 PolarHBondContact O-N 3.28Å; L109-L166 HydrophobicContact CD2-CB 3.88Å; L109-M170 HydrophobicContact CB-CE 4.12Å; L109-M170 HydrophobicContact CD2-CE 3.34Å; L109-M170 HydrophobicContact CG-CE 4.32Å
110	Q	61.9	Low	56.4	Low	41 Å²	41	71.2 Å²	71.2	19%	0.192	34%	0.342	C	S	.	.	H	α-helix	trans	-61.3	-47.2	177.7	-179.5	59.2	18.8	0	0	111.6	A106 F112 K113 E114 Y167	A106-Q110 PolarHBondContact O-N 2.88Å; Q110-F112 VanDerWaalsContact C-N 3.32Å; Q110-F112 PolarHBondContact O-N 3.32Å; Q110-K113 WeakPolarHBondContact O-CB 3.29Å; Q110-K113 PolarHBondContact O-N 3.38Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.46Å; Q110-E114 PolarHBondContact NE2-OE1 3.43Å; Q110-E114 WeakPolarHBondContact O-CG 3.47Å; Q110-E114 PolarHBondContact O-N 3.49Å; Q110-Y167 HydrophobicContact CB-CD2 4.12Å; Q110-Y167 HydrophobicContact CB-CE2 3.62Å; Q110-Y167 HydrophobicContact CG-CE1 4.5Å; Q110-Y167 HydrophobicContact CG-CE2 4.36Å
111	R	61.3	Low	57.7	Low	179 Å²	179	62.1 Å²	62.1	68%	0.675	31%	0.313	S	S	*	.	H	α-helix	trans	-61.7	-40.5	174	-70.7	175.4	-171.4	-168.7	4.4	111.8	D107 K113 E114 V115	D107-R111 VanDerWaalsContact O-CG 3.31Å; D107-R111 WeakPolarHBondContact O-CG 3.37Å; D107-R111 PolarHBondContact O-N 3.01Å; R111-K113 VanDerWaalsContact C-N 3.32Å; R111-K113 PolarHBondContact O-N 2.99Å; R111-E114 PolarHBondContact O-N 3.26Å; R111-V115 WeakPolarHBondContact O-CB 3.37Å; R111-V115 WeakPolarHBondContact O-CG2 3.29Å; R111-V115 PolarHBondContact O-N 2.93Å
112	F	62.8	Low	59	Low	58 Å²	58	58.9 Å²	58.9	25%	0.254	29%	0.293	S	S	.	.	H	α-helix	trans	-62.3	-39.2	175.3	178.2	-96.2	0	0	0	111.6	I103 Q108 L109 Q110 S116	I103-F112 HydrophobicContact CD1-CB 3.98Å; I103-F112 HydrophobicContact CD1-CD1 3.82Å; I103-F112 HydrophobicContact CD1-CD2 4.17Å; I103-F112 HydrophobicContact CD1-CE1 4.41Å; I103-F112 HydrophobicContact CD1-CG 3.7Å; Q108-F112 VanDerWaalsContact O-CB 3.25Å; Q108-F112 WeakPolarHBondContact O-CB 3.38Å; Q108-F112 PolarHBondContact O-N 3.46Å; L109-F112 HydrophobicContact CD1-CD1 4.4Å; L109-F112 CarbonylContact O-C 3.46Å; L109-F112 WeakPolarHBondContact O-CB 3.28Å; L109-F112 PolarHBondContact O-N 3.35Å; Q110-F112 VanDerWaalsContact C-N 3.32Å; Q110-F112 PolarHBondContact O-N 3.32Å; F112-S116 WeakPolarHBondContact CZ-OG 3.25Å; F112-S116 WeakPolarHBondContact O-CB 3.36Å; F112-S116 PolarHBondContact O-N 2.84Å; F112-S116 PolarHBondContact O-OG 3.28Å
113	K	63.9	Low	60	Low	37 Å²	37	56 Å²	56	16%	0.161	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-52.9	174.2	-172.3	-156.4	176.6	-166.7	0	111.3	L109 Q110 R111 V115 S116 H117 L160 C163 D164	L109-K113 PolarHBondContact O-N 3.28Å; Q110-K113 WeakPolarHBondContact O-CB 3.29Å; Q110-K113 PolarHBondContact O-N 3.38Å; R111-K113 VanDerWaalsContact C-N 3.32Å; R111-K113 PolarHBondContact O-N 2.99Å; K113-V115 PolarHBondContact O-N 3.09Å; K113-S116 PolarHBondContact O-N 2.88Å; K113-H117 WeakPolarHBondContact O-CB 3.43Å; K113-H117 PolarHBondContact O-N 2.96Å; K113-L160 HydrophobicContact CG-CD1 3.78Å; K113-L160 HydrophobicContact CG-CG 4.21Å; K113-C163 HydrophobicContact CG-CB 4.27Å; K113-D164 WeakPolarHBondContact CE-OD1 3.48Å; K113-D164 VanDerWaalsContact CE-OD2 3.27Å; K113-D164 WeakPolarHBondContact CE-OD2 3.18Å; K113-D164 IonicContact NZ-OD1 2.78Å; K113-D164 PolarHBondContact NZ-OD1 3.44Å; K113-D164 IonicContact NZ-OD2 3.02Å; K113-D164 PolarHBondContact NZ-OD2 2.92Å
114	E	64.3	Low	60.9	Low	103 Å²	103	54.6 Å²	54.6	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-58	-47.9	179.8	-71.3	165.3	180	0	0	111.8	Q110 R111 H117 M118	Q110-E114 WeakPolarHBondContact CG-OE1 3.46Å; Q110-E114 PolarHBondContact NE2-OE1 3.43Å; Q110-E114 WeakPolarHBondContact O-CG 3.47Å; Q110-E114 PolarHBondContact O-N 3.49Å; R111-E114 PolarHBondContact O-N 3.26Å; E114-H117 PolarHBondContact O-N 3.47Å; E114-M118 WeakPolarHBondContact O-CB 3.49Å; E114-M118 PolarHBondContact O-N 2.9Å
115	V	63.1	Low	62.2	Low	57 Å²	57	50.8 Å²	50.8	35%	0.345	25%	0.249	S	C	.	.	H	α-helix	trans	-67.2	-41.8	178.3	170.9	0	0	0	0	111.6	T95 R111 K113 A119	T95-V115 HydrophobicContact CG2-CG1 4.19Å; T95-V115 WeakPolarHBondContact O-CG1 3.34Å; R111-V115 WeakPolarHBondContact O-CB 3.37Å; R111-V115 WeakPolarHBondContact O-CG2 3.29Å; R111-V115 PolarHBondContact O-N 2.93Å; K113-V115 PolarHBondContact O-N 3.09Å; V115-A119 WeakPolarHBondContact O-CB 3.46Å; V115-A119 PolarHBondContact O-N 2.91Å
116	S	62	Low	63.2	Low	16 Å²	16	49.4 Å²	49.4	11%	0.112	24%	0.242	C	C	.	.	H	α-helix	trans	-67.8	-38.3	177.6	-62.3	0	0	0	0	112	F112 K113 A119 L120	F112-S116 WeakPolarHBondContact CZ-OG 3.25Å; F112-S116 WeakPolarHBondContact O-CB 3.36Å; F112-S116 PolarHBondContact O-N 2.84Å; F112-S116 PolarHBondContact O-OG 3.28Å; K113-S116 PolarHBondContact O-N 2.88Å; S116-A119 WeakPolarHBondContact O-CB 3.43Å; S116-A119 PolarHBondContact O-N 3.2Å; S116-L120 VanDerWaalsContact O-CB 3.28Å; S116-L120 WeakPolarHBondContact O-CB 3.42Å; S116-L120 WeakPolarHBondContact O-CD1 3.41Å; S116-L120 VanDerWaalsContact O-CG 3.24Å; S116-L120 WeakPolarHBondContact O-CG 3.4Å; S116-L120 PolarHBondContact O-N 3.32Å
117	H	69.3	Low	64.1	Low	87 Å²	87	50 Å²	50	40%	0.403	24%	0.244	S	C	.	.	H	α-helix	trans	-64.7	-49.6	175.7	-171.5	51.9	0	0	0	111.1	K113 E114 A119 L120 T121 L160	K113-H117 WeakPolarHBondContact O-CB 3.43Å; K113-H117 PolarHBondContact O-N 2.96Å; E114-H117 PolarHBondContact O-N 3.47Å; H117-A119 VanDerWaalsContact C-N 3.28Å; H117-A119 PolarHBondContact O-N 3.43Å; H117-L120 PolarHBondContact O-N 3.43Å; H117-T121 WeakPolarHBondContact O-CB 3.3Å; H117-T121 PolarHBondContact O-N 2.9Å; H117-T121 PolarHBondContact O-OG1 3.02Å; H117-L160 HydrophobicContact CB-CD1 4Å; H117-L160 HydrophobicContact CB-CD2 4.48Å
118	M	66.3	Low	64.8	Low	93 Å²	93	51.9 Å²	51.9	46%	0.458	25%	0.246	S	C	.	.	H	α-helix	trans	-58.5	-39.8	175.8	-172.2	-177.2	-65.1	0	0	112.1	T95 E114 G122	T95-M118 HydrophobicContact CG2-CB 4.5Å; T95-M118 HydrophobicContact CG2-CG 4.41Å; T95-M118 HydrophobicContact CG2-SD 4.34Å; E114-M118 WeakPolarHBondContact O-CB 3.49Å; E114-M118 PolarHBondContact O-N 2.9Å; M118-G122 PolarHBondContact O-N 3.31Å
119	A	61.9	Low	65.4	Low	2 Å²	2	51.1 Å²	51.1	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-63.9	-53	174.2	0	0	0	0	0	112.8	T95 I97 V115 S116 H117 G122 I123	T95-A119 HydrophobicContact CG2-CB 4.26Å; I97-A119 HydrophobicContact CD1-CB 3.37Å; I97-A119 HydrophobicContact CG1-CB 3.79Å; V115-A119 WeakPolarHBondContact O-CB 3.46Å; V115-A119 PolarHBondContact O-N 2.91Å; S116-A119 WeakPolarHBondContact O-CB 3.43Å; S116-A119 PolarHBondContact O-N 3.2Å; H117-A119 VanDerWaalsContact C-N 3.28Å; H117-A119 PolarHBondContact O-N 3.43Å; A119-G122 PolarHBondContact O-N 3.14Å; A119-I123 WeakPolarHBondContact O-CD1 3.37Å; A119-I123 VanDerWaalsContact O-CG1 3.25Å; A119-I123 WeakPolarHBondContact O-CG1 3.46Å; A119-I123 PolarHBondContact O-N 2.86Å
120	L	64.4	Low	65.9	Low	13 Å²	13	52.1 Å²	52.1	7%	0.068	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-51.1	-177.6	-77	159.3	0	0	0	110.5	S116 H117 G122 I123 Q124 Y152	S116-L120 VanDerWaalsContact O-CB 3.28Å; S116-L120 WeakPolarHBondContact O-CB 3.42Å; S116-L120 WeakPolarHBondContact O-CD1 3.41Å; S116-L120 VanDerWaalsContact O-CG 3.24Å; S116-L120 WeakPolarHBondContact O-CG 3.4Å; S116-L120 PolarHBondContact O-N 3.32Å; H117-L120 PolarHBondContact O-N 3.43Å; L120-G122 VanDerWaalsContact C-N 3.3Å; L120-G122 PolarHBondContact O-N 3.42Å; L120-I123 PolarHBondContact O-N 3.35Å; L120-Q124 WeakPolarHBondContact O-CB 3.5Å; L120-Q124 WeakPolarHBondContact O-CG 3.31Å; L120-Q124 PolarHBondContact O-N 3.2Å; L120-Q124 PolarHBondContact O-OE1 3.34Å; L120-Q124 VanDerWaalsContact O-OE1 3.13Å; L120-Y152 HydrophobicContact CD2-CE1 3.58Å; L120-Y152 WeakPolarHBondContact CD2-OH 3.19Å
121	T	68.7	Low	66.2	Low	51 Å²	51	50.4 Å²	50.4	31%	0.313	24%	0.24	S	C	.	.	H	α-helix	trans	-62.1	-36.1	176.4	-57.5	0	0	0	0	112.4	H117 Q124 N125	H117-T121 WeakPolarHBondContact O-CB 3.3Å; H117-T121 PolarHBondContact O-N 2.9Å; H117-T121 PolarHBondContact O-OG1 3.02Å; T121-Q124 VanDerWaalsContact CA-OE1 3.25Å; T121-N125 WeakPolarHBondContact O-CB 3.39Å; T121-N125 VanDerWaalsContact O-CG 3.23Å; T121-N125 PolarHBondContact O-N 3.42Å; T121-N125 PolarHBondContact O-ND2 3.44Å
122	G	67.9	Low	66.4	Low	12 Å²	12	45.3 Å²	45.3	12%	0.124	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-46.7	172.9	0	0	0	0	0	113.3	M118 A119 L120 I126	M118-G122 PolarHBondContact O-N 3.31Å; A119-G122 PolarHBondContact O-N 3.14Å; L120-G122 VanDerWaalsContact C-N 3.3Å; L120-G122 PolarHBondContact O-N 3.42Å; G122-I126 PolarHBondContact O-N 3.18Å
123	I	65.4	Low	66.5	Low	24 Å²	24	43.9 Å²	43.9	12%	0.123	23%	0.225	C	C	.	.	H	α-helix	trans	-68.5	-44.1	179	-66.5	163.7	0	0	0	110.9	L88 I97 A119 L120 N125 I126 F127 F657	L88-I123 HydrophobicContact CD1-CG1 3.84Å; I97-I123 HydrophobicContact CD1-CD1 4.24Å; A119-I123 WeakPolarHBondContact O-CD1 3.37Å; A119-I123 VanDerWaalsContact O-CG1 3.25Å; A119-I123 WeakPolarHBondContact O-CG1 3.46Å; A119-I123 PolarHBondContact O-N 2.86Å; L120-I123 PolarHBondContact O-N 3.35Å; I123-N125 PolarHBondContact O-N 3.41Å; I123-I126 PolarHBondContact O-N 3.07Å; I123-F127 WeakPolarHBondContact O-CB 3.01Å; I123-F127 PolarHBondContact O-N 3.09Å; I123-F657 HydrophobicContact CG2-CE1 3.94Å; I123-F657 HydrophobicContact CG2-CZ 4.23Å
124	Q	67.3	Low	66.5	Low	20 Å²	20	43.4 Å²	43.4	9%	0.093	23%	0.225	C	C	.	.	H	α-helix	trans	-58.8	-44.5	177.2	-74.2	161.6	-36.6	0	0	111.8	L120 T121 F127 R128 Y152 D153	L120-Q124 WeakPolarHBondContact O-CB 3.5Å; L120-Q124 WeakPolarHBondContact O-CG 3.31Å; L120-Q124 PolarHBondContact O-N 3.2Å; L120-Q124 PolarHBondContact O-OE1 3.34Å; L120-Q124 VanDerWaalsContact O-OE1 3.13Å; T121-Q124 VanDerWaalsContact CA-OE1 3.25Å; Q124-F127 PolarHBondContact O-N 2.96Å; Q124-R128 WeakPolarHBondContact O-CB 3.38Å; Q124-R128 WeakPolarHBondContact O-CG 3.44Å; Q124-R128 PolarHBondContact O-N 3.44Å; Q124-Y152 HydrophobicContact CG-CD1 4.3Å; Q124-D153 WeakPolarHBondContact CG-OD1 3.42Å; Q124-D153 PolarHBondContact NE2-OD1 2.61Å
125	N	71.2	Confident	65.9	Low	71 Å²	71	43.6 Å²	43.6	38%	0.38	23%	0.225	S	C	.	.	H	α-helix	trans	-62.4	-44.7	176.7	-76.1	-37	0	0	0	111.8	T121 I123 F127 R128 E129	T121-N125 WeakPolarHBondContact O-CB 3.39Å; T121-N125 VanDerWaalsContact O-CG 3.23Å; T121-N125 PolarHBondContact O-N 3.42Å; T121-N125 PolarHBondContact O-ND2 3.44Å; I123-N125 PolarHBondContact O-N 3.41Å; N125-F127 VanDerWaalsContact C-N 3.35Å; N125-F127 PolarHBondContact O-N 2.99Å; N125-R128 PolarHBondContact O-N 2.96Å; N125-E129 PolarHBondContact O-N 3.1Å
126	I	70	Confident	65.5	Low	19 Å²	19	45.3 Å²	45.3	10%	0.097	24%	0.238	C	C	.	.	H	α-helix	trans	-64.3	-39.9	176.1	-69.2	175.7	0	0	0	111.3	L84 K87 L88 I91 G122 I123 E129 V130	L84-I126 HydrophobicContact CB-CG2 4.34Å; L84-I126 HydrophobicContact CD2-CG2 4.46Å; K87-I126 HydrophobicContact CB-CD1 4Å; K87-I126 HydrophobicContact CG-CD1 4.21Å; L88-I126 HydrophobicContact CB-CD1 3.81Å; L88-I126 HydrophobicContact CD1-CD1 4.29Å; I91-I126 HydrophobicContact CD1-CD1 3.7Å; G122-I126 PolarHBondContact O-N 3.18Å; I123-I126 PolarHBondContact O-N 3.07Å; I126-E129 PolarHBondContact O-N 3.27Å; I126-V130 WeakPolarHBondContact O-CG2 3.43Å; I126-V130 PolarHBondContact O-N 3.3Å
127	F	66.2	Low	64.7	Low	13 Å²	13	52.4 Å²	52.4	6%	0.057	27%	0.269	C	S	.	.	H	α-helix	trans	-65.7	-41.7	178.1	-169.3	-118.8	0	0	0	112.3	I123 Q124 N125 E129 V130 I131 L145 F657 L661	I123-F127 WeakPolarHBondContact O-CB 3.01Å; I123-F127 PolarHBondContact O-N 3.09Å; Q124-F127 PolarHBondContact O-N 2.96Å; N125-F127 VanDerWaalsContact C-N 3.35Å; N125-F127 PolarHBondContact O-N 2.99Å; F127-E129 VanDerWaalsContact C-N 3.32Å; F127-E129 PolarHBondContact O-N 2.88Å; F127-V130 PolarHBondContact O-N 3.25Å; F127-I131 HydrophobicContact CD1-CD1 3.73Å; F127-I131 HydrophobicContact CE1-CD1 3.6Å; F127-I131 HydrophobicContact CG-CD1 4.4Å; F127-I131 HydrophobicContact CZ-CD1 4.17Å; F127-I131 VanDerWaalsContact O-CG1 3.32Å; F127-I131 WeakPolarHBondContact O-CG1 3.09Å; F127-I131 PolarHBondContact O-N 3.01Å; F127-L145 HydrophobicContact CE2-CD2 4.4Å; F127-L145 HydrophobicContact CZ-CB 4.38Å; F127-L145 HydrophobicContact CZ-CD2 3.87Å; F127-F657 HydrophobicContact CB-CZ 4.04Å; F127-F657 AromaticContact CD1-CE2 3.83Å; F127-F657 HydrophobicContact CD1-CE2 3.83Å; F127-F657 HydrophobicContact CD1-CZ 4.09Å; F127-F657 AromaticContact CD2-CE2 3.7Å; F127-F657 HydrophobicContact CD2-CE2 3.7Å; F127-F657 AromaticContact CD2-CZ 3.45Å; F127-F657 HydrophobicContact CD2-CZ 3.45Å; F127-F657 VanDerWaalsContact CD2-CZ 3.45Å; F127-F657 AromaticContact CE1-CE2 3.73Å; F127-F657 HydrophobicContact CE1-CE2 3.73Å; F127-F657 HydrophobicContact CE1-CZ 4.38Å; F127-F657 AromaticContact CE2-CE2 3.61Å; F127-F657 HydrophobicContact CE2-CE2 3.61Å; F127-F657 AromaticContact CE2-CZ 3.81Å; F127-F657 HydrophobicContact CE2-CZ 3.81Å; F127-F657 AromaticContact CG-CE2 3.81Å; F127-F657 HydrophobicContact CG-CE2 3.81Å; F127-F657 AromaticContact CG-CZ 3.6Å; F127-F657 HydrophobicContact CG-CZ 3.6Å; F127-F657 HydrophobicContact CZ-CD2 4.42Å; F127-F657 AromaticContact CZ-CE2 3.61Å; F127-F657 HydrophobicContact CZ-CE2 3.61Å; F127-F657 HydrophobicContact CZ-CZ 4.25Å; F127-L661 HydrophobicContact CD2-CD1 3.98Å; F127-L661 HydrophobicContact CE2-CD1 4.19Å
128	R	69.1	Low	64.2	Low	116 Å²	116	53.2 Å²	53.2	44%	0.438	27%	0.271	S	S	.	.	H	α-helix	trans	-62.5	-38.4	172.6	-71.9	175.6	178.3	-143.9	1.2	111.8	Q124 N125 I131 C132 D153	Q124-R128 WeakPolarHBondContact O-CB 3.38Å; Q124-R128 WeakPolarHBondContact O-CG 3.44Å; Q124-R128 PolarHBondContact O-N 3.44Å; N125-R128 PolarHBondContact O-N 2.96Å; R128-I131 PolarHBondContact O-N 3.38Å; R128-C132 PolarHBondContact O-N 2.91Å; R128-C132 PolarHBondContact O-SG 2.97Å; R128-C132 VanDerWaalsContact O-SG 3.4Å; R128-D153 IonicContact CZ-OD2 2.65Å; R128-D153 IonicContact NE-OD2 2.6Å; R128-D153 IonicContact NH2-OD2 3.42Å; R128-D153 PolarHBondContact NH2-OD2 3.42Å
129	E	69.5	Low	63.6	Low	56 Å²	56	56.9 Å²	56.9	26%	0.262	28%	0.281	S	S	.	.	H	α-helix	trans	-66	-41.3	175	-149.2	64.5	-130.3	0	0	111.9	Y80 L84 N125 I126 F127 C132 Q133	Y80-E129 HydrophobicContact CE1-CG 4.23Å; Y80-E129 WeakPolarHBondContact OH-CG 3.36Å; L84-E129 HydrophobicContact CD1-CB 4.33Å; L84-E129 HydrophobicContact CD1-CG 4.38Å; L84-E129 HydrophobicContact CD2-CB 4.24Å; L84-E129 HydrophobicContact CD2-CG 4.18Å; N125-E129 PolarHBondContact O-N 3.1Å; I126-E129 PolarHBondContact O-N 3.27Å; F127-E129 VanDerWaalsContact C-N 3.32Å; F127-E129 PolarHBondContact O-N 2.88Å; E129-C132 WeakPolarHBondContact O-CB 3.38Å; E129-C132 PolarHBondContact O-N 3.28Å; E129-C132 VanDerWaalsContact O-N 3.11Å; E129-Q133 PolarHBondContact O-N 2.88Å
130	V	67.6	Low	63.3	Low	27 Å²	27	62.6 Å²	62.6	16%	0.164	31%	0.311	C	S	.	.	H	α-helix	trans	-61.4	-43.8	172	171.1	0	0	0	0	111.2	L84 I126 F127 C132 Q133 I134 L664	L84-V130 HydrophobicContact CD1-CG2 3.99Å; I126-V130 WeakPolarHBondContact O-CG2 3.43Å; I126-V130 PolarHBondContact O-N 3.3Å; F127-V130 PolarHBondContact O-N 3.25Å; V130-C132 PolarHBondContact O-N 2.82Å; V130-Q133 PolarHBondContact O-N 2.86Å; V130-I134 PolarHBondContact O-N 3.13Å; V130-L664 HydrophobicContact CG1-CD2 4.2Å
131	I	67.5	Low	63.1	Low	4 Å²	4	67.1 Å²	67.1	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-28	174.3	-73	169.5	0	0	0	112.2	F127 R128 R142 L145 L146	F127-I131 HydrophobicContact CD1-CD1 3.73Å; F127-I131 HydrophobicContact CE1-CD1 3.6Å; F127-I131 HydrophobicContact CG-CD1 4.4Å; F127-I131 HydrophobicContact CZ-CD1 4.17Å; F127-I131 VanDerWaalsContact O-CG1 3.32Å; F127-I131 WeakPolarHBondContact O-CG1 3.09Å; F127-I131 PolarHBondContact O-N 3.01Å; R128-I131 PolarHBondContact O-N 3.38Å; I131-R142 HydrophobicContact CG2-CG 3.82Å; I131-R142 PolarHBondContact O-NE 3Å; I131-L145 HydrophobicContact CD1-CB 3.84Å; I131-L145 HydrophobicContact CG1-CB 3.86Å; I131-L146 HydrophobicContact CD1-CD2 4.41Å; I131-L146 HydrophobicContact CG2-CD2 3.87Å; I131-L146 HydrophobicContact CG2-CG 3.9Å
132	C	66.5	Low	62.7	Low	73 Å²	73	68.7 Å²	68.7	49%	0.493	33%	0.332	S	S	.	.	H	α-helix	trans	-79.1	-20.4	174.5	-74.8	0	0	0	0	114.3	R128 E129 V130	R128-C132 PolarHBondContact O-N 2.91Å; R128-C132 PolarHBondContact O-SG 2.97Å; R128-C132 VanDerWaalsContact O-SG 3.4Å; E129-C132 WeakPolarHBondContact O-CB 3.38Å; E129-C132 PolarHBondContact O-N 3.28Å; E129-C132 VanDerWaalsContact O-N 3.11Å; V130-C132 PolarHBondContact O-N 2.82Å
133	Q	65	Low	62.6	Low	27 Å²	27	70.2 Å²	70.2	13%	0.126	34%	0.344	C	S	.	.	H	α-helix	trans	-82.2	-17.9	173.4	-64.1	-70.5	-25.6	0	0	113.1	H74 N76 Y80 E129 V130 H135	H74-Q133 PolarHBondContact O-NE2 2.96Å; N76-Q133 PolarHBondContact OD1-O 3Å; Y80-Q133 HydrophobicContact CD1-CG 4.35Å; Y80-Q133 HydrophobicContact CE1-CG 4.28Å; Y80-Q133 VanDerWaalsContact CE1-NE2 3.27Å; E129-Q133 PolarHBondContact O-N 2.88Å; V130-Q133 PolarHBondContact O-N 2.86Å; Q133-H135 PolarHBondContact O-N 2.73Å
134	I	62.6	Low	62.6	Low	28 Å²	28	74.3 Å²	74.3	14%	0.144	37%	0.366	C	S	.	.	S	Bend	trans	-64.2	124.5	178.7	-63.8	176.4	0	0	0	110.8	V130 K138 L145	V130-I134 PolarHBondContact O-N 3.13Å; I134-K138 HydrophobicContact CG2-CB 4.09Å; I134-L145 HydrophobicContact CD1-CD1 3.32Å
135	H	52.4	Low	62.4	Low	106 Å²	106	74.8 Å²	74.8	49%	0.491	37%	0.369	S	S	.	.			trans	-55.9	136.2	-175.9	-148.2	-115.4	0	0	0	112	Q133 E137 K138	Q133-H135 PolarHBondContact O-N 2.73Å; H135-E137 IonicContact CE1-OE2 3.21Å; H135-E137 PolarHBondContact CE1-OE2 2.77Å; H135-E137 VanDerWaalsContact CE1-OE2 3.31Å; H135-E137 IonicContact ND1-OE2 2.75Å; H135-E137 PolarHBondContact ND1-OE2 2.6Å; H135-E137 PolarHBondContact O-N 2.63Å; H135-K138 PolarHBondContact O-N 3.45Å
136	P	53.9	Low	62.3	Low	94 Å²	94	74.9 Å²	74.9	61%	0.61	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-54.3	-29.4	-170.4	-29.8	36	0	0	0	115.6	K138 Y139	P136-K138 VanDerWaalsContact C-N 3.29Å; P136-K138 PolarHBondContact O-N 2.71Å; P136-Y139 PolarHBondContact O-N 3.01Å
137	E	46.8	Very low	62.1	Low	165 Å²	165	77 Å²	77	77%	0.771	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-68.4	-23.1	-178.3	-62.7	162.6	134.6	0	0	113.3	H135 Y139	H135-E137 IonicContact CE1-OE2 3.21Å; H135-E137 PolarHBondContact CE1-OE2 2.77Å; H135-E137 VanDerWaalsContact CE1-OE2 3.31Å; H135-E137 IonicContact ND1-OE2 2.75Å; H135-E137 PolarHBondContact ND1-OE2 2.6Å; H135-E137 PolarHBondContact O-N 2.63Å; E137-Y139 PolarHBondContact O-N 2.92Å; E137-Y139 VanDerWaalsContact O-N 3.08Å
138	K	57.2	Low	62	Low	104 Å²	104	80.9 Å²	80.9	45%	0.452	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-83.4	40.5	172.8	-75.3	-162.5	174.6	-170.1	0	112.2	I134 H135 P136 N140 H141 R142	I134-K138 HydrophobicContact CG2-CB 4.09Å; H135-K138 PolarHBondContact O-N 3.45Å; P136-K138 VanDerWaalsContact C-N 3.29Å; P136-K138 PolarHBondContact O-N 2.71Å; K138-N140 VanDerWaalsContact C-N 3.3Å; K138-N140 PolarHBondContact O-N 3.35Å; K138-N140 VanDerWaalsContact O-N 3.14Å; K138-H141 HydrophobicContact CB-CB 4.34Å; K138-H141 PolarHBondContact O-N 3.16Å; K138-R142 PolarHBondContact O-N 3.45Å; K138-R142 VanDerWaalsContact O-N 3.09Å
139	Y	55.6	Low	61.8	Low	169 Å²	169	75.5 Å²	75.5	66%	0.663	39%	0.386	S	S	*	.	H	α-helix	trans	-47.6	-46.8	-174.4	-171.2	-92.2	0	0	0	113.5	P136 E137 H141 R142 A143	P136-Y139 PolarHBondContact O-N 3.01Å; E137-Y139 PolarHBondContact O-N 2.92Å; E137-Y139 VanDerWaalsContact O-N 3.08Å; Y139-H141 VanDerWaalsContact C-N 3.33Å; Y139-H141 PolarHBondContact O-N 2.66Å; Y139-R142 PolarHBondContact O-N 3.34Å; Y139-A143 WeakPolarHBondContact O-CB 3.12Å; Y139-A143 PolarHBondContact O-N 2.75Å
140	N	54	Low	61.7	Low	122 Å²	122	77.4 Å²	77.4	65%	0.652	40%	0.398	S	S	*	.	H	α-helix	trans	-62.7	-35	179.8	-66.7	0.8	0	0	0	113.4	K138 L144	K138-N140 VanDerWaalsContact C-N 3.3Å; K138-N140 PolarHBondContact O-N 3.35Å; K138-N140 VanDerWaalsContact O-N 3.14Å; N140-L144 WeakPolarHBondContact O-CB 3.33Å; N140-L144 PolarHBondContact O-N 2.71Å; N140-L144 VanDerWaalsContact O-N 3.09Å
141	H	60	Low	61.6	Low	108 Å²	108	84.9 Å²	84.9	50%	0.5	42%	0.424	S	S	.	.	H	α-helix	trans	-73.2	-40	176.1	-68.6	62	0	0	0	110.5	K138 Y139 A143 L144 L145	K138-H141 HydrophobicContact CB-CB 4.34Å; K138-H141 PolarHBondContact O-N 3.16Å; Y139-H141 VanDerWaalsContact C-N 3.33Å; Y139-H141 PolarHBondContact O-N 2.66Å; H141-A143 VanDerWaalsContact C-N 3.33Å; H141-A143 PolarHBondContact O-N 3.33Å; H141-L144 PolarHBondContact O-N 2.77Å; H141-L145 WeakPolarHBondContact O-CB 3.28Å; H141-L145 VanDerWaalsContact O-CG 3.32Å; H141-L145 WeakPolarHBondContact O-CG 3.47Å; H141-L145 PolarHBondContact O-N 3.08Å
142	R	61.8	Low	61.3	Low	84 Å²	84	85.8 Å²	85.8	32%	0.317	43%	0.427	S	S	.	.	H	α-helix	trans	-62.4	-41.3	175.9	-159	179.6	-174.1	-154.8	-5.9	111.4	I131 K138 Y139 L145 L146	I131-R142 HydrophobicContact CG2-CG 3.82Å; I131-R142 PolarHBondContact O-NE 3Å; K138-R142 PolarHBondContact O-N 3.45Å; K138-R142 VanDerWaalsContact O-N 3.09Å; Y139-R142 PolarHBondContact O-N 3.34Å; R142-L145 PolarHBondContact O-N 3.25Å; R142-L146 HydrophobicContact CG-CD1 4.47Å; R142-L146 WeakPolarHBondContact O-CB 3.5Å; R142-L146 VanDerWaalsContact O-CG 3.28Å; R142-L146 WeakPolarHBondContact O-CG 3.26Å; R142-L146 PolarHBondContact O-N 2.82Å
143	A	64.7	Low	61.3	Low	45 Å²	45	83.3 Å²	83.3	37%	0.372	41%	0.409	S	S	.	.	H	α-helix	trans	-65.6	-40.9	175.6	0	0	0	0	0	113	Y139 H141 L146 S147	Y139-A143 WeakPolarHBondContact O-CB 3.12Å; Y139-A143 PolarHBondContact O-N 2.75Å; H141-A143 VanDerWaalsContact C-N 3.33Å; H141-A143 PolarHBondContact O-N 3.33Å; A143-L146 PolarHBondContact O-N 3.19Å; A143-S147 PolarHBondContact O-N 2.93Å; A143-S147 PolarHBondContact O-OG 2.97Å
144	L	65.2	Low	61.5	Low	110 Å²	110	84.9 Å²	84.9	58%	0.576	42%	0.423	S	S	*	.	H	α-helix	trans	-64.8	-41	174.2	-96.6	161.7	0	0	0	112.9	N140 H141 S147 L148	N140-L144 WeakPolarHBondContact O-CB 3.33Å; N140-L144 PolarHBondContact O-N 2.71Å; N140-L144 VanDerWaalsContact O-N 3.09Å; H141-L144 PolarHBondContact O-N 2.77Å; L144-S147 PolarHBondContact O-N 3.26Å; L144-S147 PolarHBondContact O-OG 2.71Å; L144-S147 VanDerWaalsContact O-OG 3.13Å; L144-L148 WeakPolarHBondContact O-CB 3.47Å; L144-L148 WeakPolarHBondContact O-CG 3.36Å; L144-L148 PolarHBondContact O-N 3.48Å
145	L	63.3	Low	61.4	Low	30 Å²	30	86.2 Å²	86.2	16%	0.157	43%	0.43	C	S	.	.	H	α-helix	trans	-72.1	-32.5	178.3	-68.6	165.8	0	0	0	112	F127 I131 I134 H141 R142 L148 S149 L664	F127-L145 HydrophobicContact CE2-CD2 4.4Å; F127-L145 HydrophobicContact CZ-CB 4.38Å; F127-L145 HydrophobicContact CZ-CD2 3.87Å; I131-L145 HydrophobicContact CD1-CB 3.84Å; I131-L145 HydrophobicContact CG1-CB 3.86Å; I134-L145 HydrophobicContact CD1-CD1 3.32Å; H141-L145 WeakPolarHBondContact O-CB 3.28Å; H141-L145 VanDerWaalsContact O-CG 3.32Å; H141-L145 WeakPolarHBondContact O-CG 3.47Å; H141-L145 PolarHBondContact O-N 3.08Å; R142-L145 PolarHBondContact O-N 3.25Å; L145-L148 HydrophobicContact CD2-CD1 4.46Å; L145-S149 PolarHBondContact O-N 2.81Å; L145-L664 HydrophobicContact CD1-CD2 4.45Å
146	L	68.6	Low	61.8	Low	73 Å²	73	81.3 Å²	81.3	38%	0.382	41%	0.407	S	S	.	.	H	α-helix	trans	-64.6	-48.9	169.9	-76.2	167.2	0	0	0	111.7	I131 R142 A143 L148 S149 D150	I131-L146 HydrophobicContact CD1-CD2 4.41Å; I131-L146 HydrophobicContact CG2-CD2 3.87Å; I131-L146 HydrophobicContact CG2-CG 3.9Å; R142-L146 HydrophobicContact CG-CD1 4.47Å; R142-L146 WeakPolarHBondContact O-CB 3.5Å; R142-L146 VanDerWaalsContact O-CG 3.28Å; R142-L146 WeakPolarHBondContact O-CG 3.26Å; R142-L146 PolarHBondContact O-N 2.82Å; A143-L146 PolarHBondContact O-N 3.19Å; L146-L148 VanDerWaalsContact C-N 3.27Å; L146-L148 PolarHBondContact O-N 2.99Å; L146-S149 CarbonylContact O-C 3.5Å; L146-S149 WeakPolarHBondContact O-CA 3.1Å; L146-S149 VanDerWaalsContact O-CB 3.3Å; L146-S149 WeakPolarHBondContact O-CB 3.32Å; L146-S149 PolarHBondContact O-N 3.2Å; L146-D150 PolarHBondContact O-N 3.11Å
147	S	67.5	Low	62.5	Low	64 Å²	64	81 Å²	81	45%	0.448	40%	0.4	S	S	.	.	H	α-helix	trans	-67.1	-28.1	179.1	67.4	0	0	0	0	113.3	A143 L144 R151	A143-S147 PolarHBondContact O-N 2.93Å; A143-S147 PolarHBondContact O-OG 2.97Å; L144-S147 PolarHBondContact O-N 3.26Å; L144-S147 PolarHBondContact O-OG 2.71Å; L144-S147 VanDerWaalsContact O-OG 3.13Å; S147-R151 WeakPolarHBondContact O-CB 3.29Å; S147-R151 PolarHBondContact O-N 3.26Å; S147-R151 VanDerWaalsContact O-N 3.08Å
148	L	62.6	Low	63.5	Low	94 Å²	94	76.9 Å²	76.9	49%	0.492	38%	0.384	S	S	.	.	H	α-helix	trans	-66.4	-41	166.4	-81.2	164.1	0	0	0	112.2	L144 L145 L146 Y152	L144-L148 WeakPolarHBondContact O-CB 3.47Å; L144-L148 WeakPolarHBondContact O-CG 3.36Å; L144-L148 PolarHBondContact O-N 3.48Å; L145-L148 HydrophobicContact CD2-CD1 4.46Å; L146-L148 VanDerWaalsContact C-N 3.27Å; L146-L148 PolarHBondContact O-N 2.99Å; L148-Y152 WeakPolarHBondContact O-CB 3.23Å; L148-Y152 PolarHBondContact O-N 2.66Å
149	S	65.3	Low	63.5	Low	3 Å²	3	72.3 Å²	72.3	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-62.3	-49.7	173.1	-164.1	0	0	0	0	111.1	L145 L146 R151 Y152 D153	L145-S149 PolarHBondContact O-N 2.81Å; L146-S149 CarbonylContact O-C 3.5Å; L146-S149 WeakPolarHBondContact O-CA 3.1Å; L146-S149 VanDerWaalsContact O-CB 3.3Å; L146-S149 WeakPolarHBondContact O-CB 3.32Å; L146-S149 PolarHBondContact O-N 3.2Å; S149-R151 VanDerWaalsContact C-N 3.28Å; S149-R151 PolarHBondContact O-N 3.01Å; S149-Y152 CarbonylContact O-C 3.35Å; S149-Y152 WeakPolarHBondContact O-CB 3.42Å; S149-Y152 PolarHBondContact O-N 3.25Å; S149-D153 WeakPolarHBondContact O-CB 3.43Å; S149-D153 PolarHBondContact O-N 3.42Å; S149-D153 VanDerWaalsContact O-OD1 3.05Å
150	D	68.5	Low	63.9	Low	96 Å²	96	65.4 Å²	65.4	51%	0.513	34%	0.338	S	S	.	.	H	α-helix	trans	-61	-38.2	-178.5	-62.6	-33.2	0	0	0	111.6	L146 S154	L146-D150 PolarHBondContact O-N 3.11Å; D150-S154 PolarHBondContact O-N 2.96Å
151	R	65.5	Low	64.5	Low	184 Å²	184	63.9 Å²	63.9	69%	0.694	33%	0.331	S	S	*	.	H	α-helix	trans	-68.5	-37.8	174.3	-170	173.6	-176.2	178.1	0.1	112.3	S147 S149 I155	S147-R151 WeakPolarHBondContact O-CB 3.29Å; S147-R151 PolarHBondContact O-N 3.26Å; S147-R151 VanDerWaalsContact O-N 3.08Å; S149-R151 VanDerWaalsContact C-N 3.28Å; S149-R151 PolarHBondContact O-N 3.01Å; R151-I155 HydrophobicContact CG-CD1 4.3Å; R151-I155 WeakPolarHBondContact O-CG1 3.41Å; R151-I155 PolarHBondContact O-N 3.16Å; R151-I155 VanDerWaalsContact O-N 3.12Å
152	Y	60.7	Low	64.5	Low	22 Å²	22	59.9 Å²	59.9	9%	0.086	31%	0.314	C	S	.	.	H	α-helix	trans	-68.4	-40.4	175.4	-166.4	-106.6	0	0	0	111.7	L120 Q124 L148 S149 S154 I155 S156	L120-Y152 HydrophobicContact CD2-CE1 3.58Å; L120-Y152 WeakPolarHBondContact CD2-OH 3.19Å; Q124-Y152 HydrophobicContact CG-CD1 4.3Å; L148-Y152 WeakPolarHBondContact O-CB 3.23Å; L148-Y152 PolarHBondContact O-N 2.66Å; S149-Y152 CarbonylContact O-C 3.35Å; S149-Y152 WeakPolarHBondContact O-CB 3.42Å; S149-Y152 PolarHBondContact O-N 3.25Å; Y152-S154 VanDerWaalsContact C-N 3.34Å; Y152-S154 PolarHBondContact O-N 3.01Å; Y152-I155 PolarHBondContact O-N 2.77Å; Y152-S156 VanDerWaalsContact O-CB 3.24Å; Y152-S156 WeakPolarHBondContact O-CB 3.22Å; Y152-S156 PolarHBondContact O-N 3.17Å
153	D	66.3	Low	64.1	Low	22 Å²	22	56 Å²	56	12%	0.118	30%	0.299	C	S	.	.	H	α-helix	trans	-62.2	-40.7	175.4	-64.7	3.5	0	0	0	111	Q124 R128 S149 S156 N157	Q124-D153 WeakPolarHBondContact CG-OD1 3.42Å; Q124-D153 PolarHBondContact NE2-OD1 2.61Å; R128-D153 IonicContact CZ-OD2 2.65Å; R128-D153 IonicContact NE-OD2 2.6Å; R128-D153 IonicContact NH2-OD2 3.42Å; R128-D153 PolarHBondContact NH2-OD2 3.42Å; S149-D153 WeakPolarHBondContact O-CB 3.43Å; S149-D153 PolarHBondContact O-N 3.42Å; S149-D153 VanDerWaalsContact O-OD1 3.05Å; D153-S156 WeakPolarHBondContact O-CB 3.38Å; D153-S156 PolarHBondContact O-N 2.94Å; D153-N157 PolarHBondContact O-N 2.87Å; D153-N157 PolarHBondContact O-ND2 3.47Å
154	S	69.7	Low	64	Low	60 Å²	60	56.5 Å²	56.5	42%	0.42	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-47.2	172.9	179.6	0	0	0	0	112.9	D150 Y152 S156 N157 N158	D150-S154 PolarHBondContact O-N 2.96Å; Y152-S154 VanDerWaalsContact C-N 3.34Å; Y152-S154 PolarHBondContact O-N 3.01Å; S154-S156 VanDerWaalsContact C-N 3.33Å; S154-S156 PolarHBondContact O-N 3.35Å; S154-N157 PolarHBondContact O-N 3.02Å; S154-N158 PolarHBondContact O-N 2.88Å; S154-N158 VanDerWaalsContact O-N 3.08Å; S154-N158 PolarHBondContact O-OD1 3.05Å
155	I	59.2	Low	63.9	Low	56 Å²	56	55.3 Å²	55.3	29%	0.287	29%	0.29	S	S	.	.	H	α-helix	trans	-64	-41.1	178.2	-67.5	164.9	0	0	0	110.7	R151 Y152 L159	R151-I155 HydrophobicContact CG-CD1 4.3Å; R151-I155 WeakPolarHBondContact O-CG1 3.41Å; R151-I155 PolarHBondContact O-N 3.16Å; R151-I155 VanDerWaalsContact O-N 3.12Å; Y152-I155 PolarHBondContact O-N 2.77Å; I155-L159 WeakPolarHBondContact O-CB 3.42Å; I155-L159 PolarHBondContact O-N 3.01Å
156	S	61.9	Low	63.3	Low	3 Å²	3	54.7 Å²	54.7	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-57.4	-48.1	175.5	170.7	0	0	0	0	112	Y152 D153 S154 L159 L160	Y152-S156 VanDerWaalsContact O-CB 3.24Å; Y152-S156 WeakPolarHBondContact O-CB 3.22Å; Y152-S156 PolarHBondContact O-N 3.17Å; D153-S156 WeakPolarHBondContact O-CB 3.38Å; D153-S156 PolarHBondContact O-N 2.94Å; S154-S156 VanDerWaalsContact C-N 3.33Å; S154-S156 PolarHBondContact O-N 3.35Å; S156-L159 PolarHBondContact O-N 3.32Å; S156-L160 PolarHBondContact O-N 3.27Å; S156-L160 VanDerWaalsContact O-N 3.09Å
157	N	67.3	Low	62.8	Low	87 Å²	87	53.8 Å²	53.8	47%	0.465	28%	0.278	S	S	.	.	H	α-helix	trans	-67.4	-46.5	-178.7	-67.3	-17.7	0	0	0	111.5	D153 S154 L159 L160 D161	D153-N157 PolarHBondContact O-N 2.87Å; D153-N157 PolarHBondContact O-ND2 3.47Å; S154-N157 PolarHBondContact O-N 3.02Å; N157-L159 VanDerWaalsContact C-N 3.28Å; N157-L159 PolarHBondContact O-N 3.47Å; N157-L160 WeakPolarHBondContact O-CA 3.49Å; N157-L160 WeakPolarHBondContact O-CB 3.18Å; N157-L160 PolarHBondContact O-N 3.31Å; N157-D161 PolarHBondContact O-N 3.02Å
158	N	67.8	Low	62.4	Low	79 Å²	79	53.8 Å²	53.8	42%	0.422	28%	0.279	S	S	.	.	H	α-helix	trans	-55.8	-43.1	176.4	-65.6	-7.1	0	0	0	111.8	S154 L160 D161 V162	S154-N158 PolarHBondContact O-N 2.88Å; S154-N158 VanDerWaalsContact O-N 3.08Å; S154-N158 PolarHBondContact O-OD1 3.05Å; N158-L160 VanDerWaalsContact C-N 3.29Å; N158-L160 PolarHBondContact O-N 3Å; N158-D161 PolarHBondContact O-N 2.93Å; N158-V162 WeakPolarHBondContact O-CG2 3.48Å; N158-V162 PolarHBondContact O-N 3.43Å
159	L	58.2	Low	61.9	Low	7 Å²	7	50.7 Å²	50.7	4%	0.037	26%	0.263	C	S	.	.	H	α-helix	trans	-71.6	-25.4	179.6	-165.2	134.4	0	0	0	112.5	I155 S156 N157 C163 Q646 M650	I155-L159 WeakPolarHBondContact O-CB 3.42Å; I155-L159 PolarHBondContact O-N 3.01Å; S156-L159 PolarHBondContact O-N 3.32Å; N157-L159 VanDerWaalsContact C-N 3.28Å; N157-L159 PolarHBondContact O-N 3.47Å; L159-C163 PolarHBondContact O-N 3.17Å; L159-C163 VanDerWaalsContact O-N 3.11Å; L159-C163 PolarHBondContact O-SG 3.23Å; L159-Q646 HydrophobicContact CD1-CB 4.27Å; L159-M650 HydrophobicContact CD1-CB 4.44Å; L159-M650 HydrophobicContact CD1-CE 3.71Å; L159-M650 HydrophobicContact CD1-SD 3.91Å; L159-M650 HydrophobicContact CD2-CE 3.87Å; L159-M650 HydrophobicContact CD2-SD 4.16Å; L159-M650 HydrophobicContact CG-CE 4.45Å
160	L	64.8	Low	61	Low	24 Å²	24	54 Å²	54	13%	0.126	28%	0.28	C	S	.	.	H	α-helix	trans	-72.6	-43.5	172	-146.7	76.8	0	0	0	111.5	K113 H117 S156 N157 N158 C163 D164	K113-L160 HydrophobicContact CG-CD1 3.78Å; K113-L160 HydrophobicContact CG-CG 4.21Å; H117-L160 HydrophobicContact CB-CD1 4Å; H117-L160 HydrophobicContact CB-CD2 4.48Å; S156-L160 PolarHBondContact O-N 3.27Å; S156-L160 VanDerWaalsContact O-N 3.09Å; N157-L160 WeakPolarHBondContact O-CA 3.49Å; N157-L160 WeakPolarHBondContact O-CB 3.18Å; N157-L160 PolarHBondContact O-N 3.31Å; N158-L160 VanDerWaalsContact C-N 3.29Å; N158-L160 PolarHBondContact O-N 3Å; L160-C163 CarbonylContact O-C 3.55Å; L160-C163 WeakPolarHBondContact O-CB 3.03Å; L160-C163 PolarHBondContact O-N 2.99Å; L160-C163 VanDerWaalsContact O-N 3.14Å; L160-D164 PolarHBondContact O-N 3.26Å
161	D	65.7	Low	60.2	Low	91 Å²	91	52.8 Å²	52.8	49%	0.487	27%	0.272	S	S	.	.	H	α-helix	trans	-62.4	-41.3	174.8	-70.8	-23.4	0	0	0	111.4	N157 N158 C163 D164 N165	N157-D161 PolarHBondContact O-N 3.02Å; N158-D161 PolarHBondContact O-N 2.93Å; D161-C163 VanDerWaalsContact C-N 3.33Å; D161-C163 PolarHBondContact O-N 3.01Å; D161-D164 PolarHBondContact O-N 2.96Å; D161-N165 PolarHBondContact O-N 3Å; D161-N165 PolarHBondContact O-ND2 3.45Å
162	V	59.8	Low	59.4	Low	24 Å²	24	46 Å²	46	15%	0.145	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-40.5	172.7	172.4	0	0	0	0	110.8	N158 D164 N165 L166 W643	N158-V162 WeakPolarHBondContact O-CG2 3.48Å; N158-V162 PolarHBondContact O-N 3.43Å; V162-D164 PolarHBondContact O-N 3.5Å; V162-N165 PolarHBondContact O-N 3.18Å; V162-L166 HydrophobicContact CG1-CD1 3.91Å; V162-L166 HydrophobicContact CG1-CG 4.39Å; V162-L166 WeakPolarHBondContact O-CB 3.31Å; V162-L166 VanDerWaalsContact O-CG 3.3Å; V162-L166 WeakPolarHBondContact O-CG 3.33Å; V162-L166 PolarHBondContact O-N 2.92Å; V162-W643 HydrophobicContact CG1-CB 3.9Å; V162-W643 HydrophobicContact CG1-CG 4.19Å
163	C	53.9	Low	58.4	Low	2 Å²	2	46.3 Å²	46.3	1%	0.014	26%	0.263	C	S	.	.	H	α-helix	trans	-65.4	-35.7	174.3	-69.4	0	0	0	0	112.9	K113 L159 L160 D161 Y167	K113-C163 HydrophobicContact CG-CB 4.27Å; L159-C163 PolarHBondContact O-N 3.17Å; L159-C163 VanDerWaalsContact O-N 3.11Å; L159-C163 PolarHBondContact O-SG 3.23Å; L160-C163 CarbonylContact O-C 3.55Å; L160-C163 WeakPolarHBondContact O-CB 3.03Å; L160-C163 PolarHBondContact O-N 2.99Å; L160-C163 VanDerWaalsContact O-N 3.14Å; D161-C163 VanDerWaalsContact C-N 3.33Å; D161-C163 PolarHBondContact O-N 3.01Å; C163-Y167 VanDerWaalsContact O-CB 3.23Å; C163-Y167 WeakPolarHBondContact O-CB 3.21Å; C163-Y167 PolarHBondContact O-N 3.19Å
164	D	62.6	Low	57	Low	56 Å²	56	50.3 Å²	50.3	30%	0.299	28%	0.276	S	S	.	.	H	α-helix	trans	-68.1	-40.5	174	-93	-34.8	0	0	0	112.6	K113 L160 D161 V162 Y167 S168	K113-D164 WeakPolarHBondContact CE-OD1 3.48Å; K113-D164 VanDerWaalsContact CE-OD2 3.27Å; K113-D164 WeakPolarHBondContact CE-OD2 3.18Å; K113-D164 IonicContact NZ-OD1 2.78Å; K113-D164 PolarHBondContact NZ-OD1 3.44Å; K113-D164 IonicContact NZ-OD2 3.02Å; K113-D164 PolarHBondContact NZ-OD2 2.92Å; L160-D164 PolarHBondContact O-N 3.26Å; D161-D164 PolarHBondContact O-N 2.96Å; V162-D164 PolarHBondContact O-N 3.5Å; D164-Y167 PolarHBondContact O-N 3.05Å; D164-S168 WeakPolarHBondContact O-CB 3.13Å; D164-S168 PolarHBondContact O-N 2.77Å; D164-S168 PolarHBondContact O-OG 3.16Å
165	N	62.7	Low	55.5	Low	84 Å²	84	54.6 Å²	54.6	45%	0.449	29%	0.287	S	S	.	.	H	α-helix	trans	-64.7	-44.2	175	-76.3	-65.2	0	0	0	111.4	D161 V162 T169	D161-N165 PolarHBondContact O-N 3Å; D161-N165 PolarHBondContact O-ND2 3.45Å; V162-N165 PolarHBondContact O-N 3.18Å; N165-T169 VanDerWaalsContact O-CB 3.29Å; N165-T169 WeakPolarHBondContact O-CB 3.41Å; N165-T169 PolarHBondContact O-N 3.05Å; N165-T169 PolarHBondContact O-OG1 2.99Å
166	L	51.7	Low	54.3	Low	17 Å²	17	55.7 Å²	55.7	9%	0.089	29%	0.294	C	S	.	.	H	α-helix	trans	-65.3	-40.9	175.2	-72.7	171.3	0	0	0	112.4	L109 V162 M170 W643	L109-L166 HydrophobicContact CD2-CB 3.88Å; V162-L166 HydrophobicContact CG1-CD1 3.91Å; V162-L166 HydrophobicContact CG1-CG 4.39Å; V162-L166 WeakPolarHBondContact O-CB 3.31Å; V162-L166 VanDerWaalsContact O-CG 3.3Å; V162-L166 WeakPolarHBondContact O-CG 3.33Å; V162-L166 PolarHBondContact O-N 2.92Å; L166-M170 WeakPolarHBondContact O-CB 3.41Å; L166-M170 PolarHBondContact O-N 2.65Å; L166-W643 HydrophobicContact CD1-CB 4.26Å; L166-W643 HydrophobicContact CD1-CD2 4.5Å; L166-W643 HydrophobicContact CD1-CG 4.03Å
167	Y	56.3	Low	52.8	Low	54 Å²	54	61 Å²	61	21%	0.212	32%	0.321	C	S	.	.	H	α-helix	trans	-68.5	-46.2	177.3	-179.8	-114.3	0	0	0	111.9	A106 Q110 C163 D164 T169 M170 I171	A106-Y167 HydrophobicContact CB-CD2 4.01Å; A106-Y167 HydrophobicContact CB-CE2 3.92Å; A106-Y167 WeakPolarHBondContact O-CD2 3.44Å; A106-Y167 VanDerWaalsContact O-CE2 3.28Å; A106-Y167 WeakPolarHBondContact O-CE2 3.28Å; Q110-Y167 HydrophobicContact CB-CD2 4.12Å; Q110-Y167 HydrophobicContact CB-CE2 3.62Å; Q110-Y167 HydrophobicContact CG-CE1 4.5Å; Q110-Y167 HydrophobicContact CG-CE2 4.36Å; C163-Y167 VanDerWaalsContact O-CB 3.23Å; C163-Y167 WeakPolarHBondContact O-CB 3.21Å; C163-Y167 PolarHBondContact O-N 3.19Å; D164-Y167 PolarHBondContact O-N 3.05Å; Y167-T169 VanDerWaalsContact C-N 3.31Å; Y167-T169 PolarHBondContact O-N 2.92Å; Y167-M170 PolarHBondContact O-N 3.2Å; Y167-I171 HydrophobicContact CD1-CD1 4.32Å; Y167-I171 HydrophobicContact CD2-CD1 4.48Å; Y167-I171 HydrophobicContact CE1-CD1 3.62Å; Y167-I171 HydrophobicContact CE2-CD1 3.79Å; Y167-I171 HydrophobicContact CE2-CG1 4.24Å; Y167-I171 PolarHBondContact O-N 3.09Å; Y167-I171 WeakPolarHBondContact OH-CD1 3.06Å
168	S	60.3	Low	51	Low	65 Å²	65	60.5 Å²	60.5	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-59.1	-43.2	175.7	-60.7	0	0	0	0	111.2	D164 I171 S172	D164-S168 WeakPolarHBondContact O-CB 3.13Å; D164-S168 PolarHBondContact O-N 2.77Å; D164-S168 PolarHBondContact O-OG 3.16Å; S168-I171 PolarHBondContact O-N 3.39Å; S168-S172 PolarHBondContact O-N 3.35Å
169	T	52.2	Low	49.3	Very low	28 Å²	28	60.3 Å²	60.3	17%	0.172	33%	0.326	C	S	.	.	H	α-helix	trans	-75	-32.3	-180	-50.1	0	0	0	0	112.2	N165 Y167 I171 S172 G173 K632 N636	N165-T169 VanDerWaalsContact O-CB 3.29Å; N165-T169 WeakPolarHBondContact O-CB 3.41Å; N165-T169 PolarHBondContact O-N 3.05Å; N165-T169 PolarHBondContact O-OG1 2.99Å; Y167-T169 VanDerWaalsContact C-N 3.31Å; Y167-T169 PolarHBondContact O-N 2.92Å; T169-I171 VanDerWaalsContact C-N 3.33Å; T169-S172 PolarHBondContact O-N 3.49Å; T169-G173 PolarHBondContact O-N 3.01Å; T169-K632 HydrophobicContact CG2-CB 4.38Å; T169-K632 HydrophobicContact CG2-CD 4.38Å; T169-K632 HydrophobicContact CG2-CG 4.46Å; T169-N636 WeakPolarHBondContact CG2-ND2 3.34Å; T169-N636 VanDerWaalsContact CG2-OD1 3.25Å; T169-N636 WeakPolarHBondContact CG2-OD1 3.47Å
170	M	46.8	Very low	48	Very low	74 Å²	74	65.7 Å²	65.7	37%	0.365	35%	0.353	S	S	.	.	H	α-helix	trans	-67.4	-29.1	167	-91	-165.6	-82.8	0	0	113.3	A106 L109 L166 Y167 R174	A106-M170 HydrophobicContact CB-CB 4.14Å; A106-M170 HydrophobicContact CB-SD 4.34Å; L109-M170 HydrophobicContact CB-CE 4.12Å; L109-M170 HydrophobicContact CD2-CE 3.34Å; L109-M170 HydrophobicContact CG-CE 4.32Å; L166-M170 WeakPolarHBondContact O-CB 3.41Å; L166-M170 PolarHBondContact O-N 2.65Å; Y167-M170 PolarHBondContact O-N 3.2Å; M170-R174 VanDerWaalsContact O-CB 3.26Å; M170-R174 WeakPolarHBondContact O-CB 3.47Å; M170-R174 PolarHBondContact O-N 3.33Å
171	I	50.1	Low	46.3	Very low	70 Å²	70	69.4 Å²	69.4	36%	0.359	37%	0.373	S	S	.	.	H	α-helix	trans	-76.6	-36.6	173	-78.7	-171.9	0	0	0	111.9	Y167 S168 T169 R174 K175	Y167-I171 HydrophobicContact CD1-CD1 4.32Å; Y167-I171 HydrophobicContact CD2-CD1 4.48Å; Y167-I171 HydrophobicContact CE1-CD1 3.62Å; Y167-I171 HydrophobicContact CE2-CD1 3.79Å; Y167-I171 HydrophobicContact CE2-CG1 4.24Å; Y167-I171 PolarHBondContact O-N 3.09Å; Y167-I171 WeakPolarHBondContact OH-CD1 3.06Å; S168-I171 PolarHBondContact O-N 3.39Å; T169-I171 VanDerWaalsContact C-N 3.33Å; I171-R174 PolarHBondContact O-N 3.06Å; I171-K175 WeakPolarHBondContact O-CB 3.48Å; I171-K175 PolarHBondContact O-N 2.68Å
172	S	49.1	Very low	44.7	Very low	40 Å²	40	69.2 Å²	69.2	28%	0.28	38%	0.375	S	S	.	.	H	α-helix	trans	-58.7	-54.9	164.9	-82.4	0	0	0	0	110.5	S168 T169 R174 K175 D176	S168-S172 PolarHBondContact O-N 3.35Å; T169-S172 PolarHBondContact O-N 3.49Å; S172-R174 VanDerWaalsContact C-N 3.25Å; S172-R174 PolarHBondContact O-N 3.41Å; S172-K175 CarbonylContact O-C 3.57Å; S172-K175 VanDerWaalsContact O-CA 3.3Å; S172-K175 WeakPolarHBondContact O-CA 3.43Å; S172-K175 WeakPolarHBondContact O-CB 3.5Å; S172-K175 PolarHBondContact O-N 2.61Å; S172-D176 PolarHBondContact O-N 3.19Å; S172-D176 VanDerWaalsContact O-OD2 3.04Å
173	G	39	Very low	43.2	Very low	29 Å²	29	71 Å²	71	30%	0.299	38%	0.384	S	S	.	.	H	α-helix	trans	-59.3	-31.8	178	0	0	0	0	0	113.8	T169 D176 L177	T169-G173 PolarHBondContact O-N 3.01Å; G173-D176 PolarHBondContact O-N 2.71Å; G173-L177 VanDerWaalsContact O-CB 3.29Å; G173-L177 WeakPolarHBondContact O-CB 3.31Å; G173-L177 PolarHBondContact O-N 2.71Å
174	R	38.3	Very low	42.1	Very low	106 Å²	106	72.4 Å²	72.4	40%	0.4	40%	0.399	S	S	.	.	H	α-helix	trans	-72.2	-34.5	168.6	-92.5	-176.6	166	179.8	-1.3	112.9	D107 M170 I171 S172 D176 C178	D107-R174 IonicContact OD1-NH1 3.57Å; D107-R174 PolarHBondContact OD1-NH1 3.4Å; D107-R174 IonicContact OD2-CZ 2.75Å; D107-R174 IonicContact OD2-NH1 2.65Å; D107-R174 PolarHBondContact OD2-NH1 2.76Å; D107-R174 IonicContact OD2-NH2 3.31Å; D107-R174 PolarHBondContact OD2-NH2 3.36Å; M170-R174 VanDerWaalsContact O-CB 3.26Å; M170-R174 WeakPolarHBondContact O-CB 3.47Å; M170-R174 PolarHBondContact O-N 3.33Å; I171-R174 PolarHBondContact O-N 3.06Å; S172-R174 VanDerWaalsContact C-N 3.25Å; S172-R174 PolarHBondContact O-N 3.41Å; R174-D176 VanDerWaalsContact C-N 3.31Å; R174-C178 WeakPolarHBondContact O-CA 3.47Å; R174-C178 WeakPolarHBondContact O-CB 3.05Å; R174-C178 PolarHBondContact O-N 2.8Å; R174-C178 PolarHBondContact O-SG 3.4Å
175	K	37.8	Very low	40.6	Very low	150 Å²	150	74.6 Å²	74.6	65%	0.652	41%	0.41	S	S	*	.	H	α-helix	trans	-62.3	-41.2	169.7	-105	-178.8	176.4	-179.2	0	110.8	I171 S172 C178 T179	I171-K175 WeakPolarHBondContact O-CB 3.48Å; I171-K175 PolarHBondContact O-N 2.68Å; S172-K175 CarbonylContact O-C 3.57Å; S172-K175 VanDerWaalsContact O-CA 3.3Å; S172-K175 WeakPolarHBondContact O-CA 3.43Å; S172-K175 WeakPolarHBondContact O-CB 3.5Å; S172-K175 PolarHBondContact O-N 2.61Å; K175-C178 CarbonylContact O-C 3.58Å; K175-C178 WeakPolarHBondContact O-CA 3.37Å; K175-C178 WeakPolarHBondContact O-CB 3.16Å; K175-C178 PolarHBondContact O-N 2.71Å; K175-T179 PolarHBondContact O-N 3.38Å; K175-T179 PolarHBondContact O-OG1 2.71Å
176	D	34.8	Very low	39.2	Very low	80 Å²	80	77.4 Å²	77.4	43%	0.428	41%	0.414	S	S	.	.	H	α-helix	trans	-77.9	-36.5	-177.1	-55	-34.3	0	0	0	111.4	S172 G173 R174 C178 T179 I180	S172-D176 PolarHBondContact O-N 3.19Å; S172-D176 VanDerWaalsContact O-OD2 3.04Å; G173-D176 PolarHBondContact O-N 2.71Å; R174-D176 VanDerWaalsContact C-N 3.31Å; D176-C178 VanDerWaalsContact C-N 3.28Å; D176-C178 PolarHBondContact O-N 3.28Å; D176-T179 WeakPolarHBondContact CA-OG1 3.46Å; D176-T179 PolarHBondContact O-N 2.72Å; D176-T179 PolarHBondContact O-OG1 2.71Å; D176-I180 WeakPolarHBondContact O-CB 3.26Å; D176-I180 VanDerWaalsContact O-CG1 3.27Å; D176-I180 WeakPolarHBondContact O-CG1 3.1Å; D176-I180 PolarHBondContact O-N 2.76Å
177	L	30	Very low	38.2	Very low	114 Å²	114	79.5 Å²	79.5	60%	0.597	43%	0.426	S	S	*	.	H	α-helix	trans	-67.5	-28.1	164	-89.4	156.1	0	0	0	112.2	G173 N181	G173-L177 VanDerWaalsContact O-CB 3.29Å; G173-L177 WeakPolarHBondContact O-CB 3.31Å; G173-L177 PolarHBondContact O-N 2.71Å; L177-N181 WeakPolarHBondContact O-CB 3.45Å; L177-N181 PolarHBondContact O-N 2.71Å
178	C	29.9	Very low	37.1	Very low	76 Å²	76	82.3 Å²	82.3	51%	0.514	44%	0.439	S	S	.	.	H	α-helix	trans	-76.4	-27.2	170.4	-84.1	0	0	0	0	112.5	R174 K175 D176 V182	R174-C178 WeakPolarHBondContact O-CA 3.47Å; R174-C178 WeakPolarHBondContact O-CB 3.05Å; R174-C178 PolarHBondContact O-N 2.8Å; R174-C178 PolarHBondContact O-SG 3.4Å; K175-C178 CarbonylContact O-C 3.58Å; K175-C178 WeakPolarHBondContact O-CA 3.37Å; K175-C178 WeakPolarHBondContact O-CB 3.16Å; K175-C178 PolarHBondContact O-N 2.71Å; D176-C178 VanDerWaalsContact C-N 3.28Å; D176-C178 PolarHBondContact O-N 3.28Å; C178-V182 WeakPolarHBondContact O-CA 2.99Å; C178-V182 WeakPolarHBondContact O-CB 3.41Å; C178-V182 WeakPolarHBondContact O-CG2 3.44Å; C178-V182 PolarHBondContact O-N 3.46Å
179	T	30.9	Very low	36.1	Very low	76 Å²	76	85.1 Å²	85.1	47%	0.466	44%	0.443	S	S	.	.	H	α-helix	trans	-76.4	-39.7	167.7	49.9	0	0	0	0	110.5	K175 D176 N181 V182 D183	K175-T179 PolarHBondContact O-N 3.38Å; K175-T179 PolarHBondContact O-OG1 2.71Å; D176-T179 WeakPolarHBondContact CA-OG1 3.46Å; D176-T179 PolarHBondContact O-N 2.72Å; D176-T179 PolarHBondContact O-OG1 2.71Å; T179-N181 VanDerWaalsContact C-N 3.31Å; T179-N181 PolarHBondContact O-N 2.78Å; T179-V182 PolarHBondContact O-N 2.66Å; T179-D183 WeakPolarHBondContact O-CA 3.16Å; T179-D183 VanDerWaalsContact O-CB 3.27Å; T179-D183 WeakPolarHBondContact O-CB 3.29Å; T179-D183 PolarHBondContact O-N 3.19Å
180	I	30.6	Very low	35.3	Very low	120 Å²	120	87.4 Å²	87.4	62%	0.615	45%	0.451	S	S	*	.	H	α-helix	trans	-63.8	-34.2	172.6	-67.6	164.3	0	0	0	112	D176 G184	D176-I180 WeakPolarHBondContact O-CB 3.26Å; D176-I180 VanDerWaalsContact O-CG1 3.27Å; D176-I180 WeakPolarHBondContact O-CG1 3.1Å; D176-I180 PolarHBondContact O-N 2.76Å; I180-G184 WeakPolarHBondContact O-CA 3.46Å; I180-G184 PolarHBondContact O-N 2.84Å
181	N	29.4	Very low	34.7	Very low	102 Å²	102	88.3 Å²	88.3	55%	0.545	46%	0.457	S	S	.	.	H	α-helix	trans	-92.8	-19.4	177.8	-162.2	14	0	0	0	113.1	L177 T179 L185	L177-N181 WeakPolarHBondContact O-CB 3.45Å; L177-N181 PolarHBondContact O-N 2.71Å; T179-N181 VanDerWaalsContact C-N 3.31Å; T179-N181 PolarHBondContact O-N 2.78Å; N181-L185 WeakPolarHBondContact O-CB 3.33Å; N181-L185 VanDerWaalsContact O-CG 3.27Å; N181-L185 WeakPolarHBondContact O-CG 2.98Å; N181-L185 PolarHBondContact O-N 2.78Å
182	V	31.7	Very low	34.2	Very low	86 Å²	86	89.4 Å²	89.4	52%	0.521	46%	0.46	S	S	.	.	H	α-helix	trans	-75.1	-40.3	163.5	164.6	0	0	0	0	109.5	C178 T179 G184 L185 R186	C178-V182 WeakPolarHBondContact O-CA 2.99Å; C178-V182 WeakPolarHBondContact O-CB 3.41Å; C178-V182 WeakPolarHBondContact O-CG2 3.44Å; C178-V182 PolarHBondContact O-N 3.46Å; T179-V182 PolarHBondContact O-N 2.66Å; V182-G184 VanDerWaalsContact C-N 3.29Å; V182-L185 CarbonylContact O-C 3.56Å; V182-L185 PolarHBondContact O-N 3.34Å; V182-R186 WeakPolarHBondContact O-CA 3.35Å; V182-R186 WeakPolarHBondContact O-CB 3.06Å; V182-R186 PolarHBondContact O-N 2.77Å
183	D	30.1	Very low	33.9	Very low	61 Å²	61	91.2 Å²	91.2	33%	0.326	47%	0.467	S	S	.	.	H	α-helix	trans	-72.9	-23.6	169	-73.2	-42.5	0	0	0	111.4	T179 R186 N187	T179-D183 WeakPolarHBondContact O-CA 3.16Å; T179-D183 VanDerWaalsContact O-CB 3.27Å; T179-D183 WeakPolarHBondContact O-CB 3.29Å; T179-D183 PolarHBondContact O-N 3.19Å; D183-R186 WeakPolarHBondContact OD1-CD 3.38Å; D183-R186 IonicContact OD1-CZ 2.83Å; D183-R186 IonicContact OD1-NE 3.31Å; D183-R186 IonicContact OD1-NH1 3.21Å; D183-R186 PolarHBondContact OD1-NH1 3.41Å; D183-N187 WeakPolarHBondContact O-CA 3.23Å; D183-N187 WeakPolarHBondContact O-CB 3.15Å; D183-N187 PolarHBondContact O-N 3.04Å; D183-N187 PolarHBondContact O-ND2 3.25Å
184	G	30.8	Very low	33.7	Very low	33 Å²	33	91.8 Å²	91.8	34%	0.34	47%	0.466	S	S	.	.	H	α-helix	trans	-68.7	-42	165.2	0	0	0	0	0	112.7	I180 V182 K188	I180-G184 WeakPolarHBondContact O-CA 3.46Å; I180-G184 PolarHBondContact O-N 2.84Å; V182-G184 VanDerWaalsContact C-N 3.29Å; G184-K188 VanDerWaalsContact O-CB 3.27Å; G184-K188 WeakPolarHBondContact O-CB 3.06Å; G184-K188 PolarHBondContact O-N 3.31Å
185	L	30.4	Very low	33.7	Very low	102 Å²	102	91.6 Å²	91.6	53%	0.534	47%	0.472	S	S	.	.	H	α-helix	trans	-78.1	-22.3	174.1	-78.9	165.4	0	0	0	113.2	N181 V182 K189	N181-L185 WeakPolarHBondContact O-CB 3.33Å; N181-L185 VanDerWaalsContact O-CG 3.27Å; N181-L185 WeakPolarHBondContact O-CG 2.98Å; N181-L185 PolarHBondContact O-N 2.78Å; V182-L185 CarbonylContact O-C 3.56Å; V182-L185 PolarHBondContact O-N 3.34Å; L185-K189 WeakPolarHBondContact O-CA 3.45Å; L185-K189 WeakPolarHBondContact O-CB 2.99Å; L185-K189 PolarHBondContact O-N 2.83Å
186	R	32.7	Very low	34	Very low	142 Å²	142	90.2 Å²	90.2	54%	0.536	47%	0.466	S	S	.	.	H	α-helix	trans	-88.9	-24.4	173.8	-171.7	-167.2	-147	178.4	5	110.7	V182 D183 K190	V182-R186 WeakPolarHBondContact O-CA 3.35Å; V182-R186 WeakPolarHBondContact O-CB 3.06Å; V182-R186 PolarHBondContact O-N 2.77Å; D183-R186 WeakPolarHBondContact OD1-CD 3.38Å; D183-R186 IonicContact OD1-CZ 2.83Å; D183-R186 IonicContact OD1-NE 3.31Å; D183-R186 IonicContact OD1-NH1 3.21Å; D183-R186 PolarHBondContact OD1-NH1 3.41Å; R186-K190 WeakPolarHBondContact O-CA 3.39Å; R186-K190 WeakPolarHBondContact O-CB 3.32Å; R186-K190 WeakPolarHBondContact O-CD 3.36Å; R186-K190 WeakPolarHBondContact O-CG 3.02Å; R186-K190 PolarHBondContact O-N 2.9Å
187	N	30.8	Very low	34.3	Very low	62 Å²	62	90.3 Å²	90.3	33%	0.332	47%	0.472	S	S	.	.	H	α-helix	trans	-81.6	-29.8	164.8	-70.5	-15.2	0	0	0	110.6	D183 L191	D183-N187 WeakPolarHBondContact O-CA 3.23Å; D183-N187 WeakPolarHBondContact O-CB 3.15Å; D183-N187 PolarHBondContact O-N 3.04Å; D183-N187 PolarHBondContact O-ND2 3.25Å; N187-L191 WeakPolarHBondContact O-CA 3.46Å; N187-L191 WeakPolarHBondContact O-CB 3.03Å; N187-L191 WeakPolarHBondContact O-CG 3.34Å; N187-L191 PolarHBondContact O-N 3.48Å
188	K	34.2	Very low	34.5	Very low	112 Å²	112	89.9 Å²	89.9	49%	0.487	47%	0.47	S	S	.	.	H	α-helix	trans	-67.9	-44.2	164.4	-174.5	173.4	-172.6	-86	0	110.8	G184 L191 E192	G184-K188 VanDerWaalsContact O-CB 3.27Å; G184-K188 WeakPolarHBondContact O-CB 3.06Å; G184-K188 PolarHBondContact O-N 3.31Å; K188-L191 CarbonylContact O-C 3.55Å; K188-L191 WeakPolarHBondContact O-CA 3.09Å; K188-L191 WeakPolarHBondContact O-CB 3.04Å; K188-L191 PolarHBondContact O-N 3.26Å; K188-L191 VanDerWaalsContact O-N 3.09Å; K188-E192 IonicContact NZ-OE1 3.84Å; K188-E192 PolarHBondContact NZ-OE1 3.46Å; K188-E192 WeakPolarHBondContact O-CB 3.47Å; K188-E192 WeakPolarHBondContact O-CG 3.42Å; K188-E192 PolarHBondContact O-N 3.02Å
189	K	38.8	Very low	35	Very low	124 Å²	124	89.8 Å²	89.8	54%	0.539	47%	0.467	S	S	.	.	H	α-helix	trans	-72	-32.9	176.2	-173	171	179.3	-179.9	0	112.2	L185 L191 E192 D193	L185-K189 WeakPolarHBondContact O-CA 3.45Å; L185-K189 WeakPolarHBondContact O-CB 2.99Å; L185-K189 PolarHBondContact O-N 2.83Å; K189-L191 VanDerWaalsContact C-N 3.33Å; K189-E192 CarbonylContact O-C 3.57Å; K189-E192 PolarHBondContact O-N 2.92Å; K189-D193 WeakPolarHBondContact O-CA 3.37Å; K189-D193 WeakPolarHBondContact O-CB 3.39Å; K189-D193 PolarHBondContact O-N 3.33Å
190	K	36.2	Very low	35.7	Very low	77 Å²	77	89.5 Å²	89.5	34%	0.335	46%	0.463	S	S	.	.	H	α-helix	trans	-68.6	-29.4	164	-78.1	167.5	177	177.3	0	111.6	R186 C194 N518	R186-K190 WeakPolarHBondContact O-CA 3.39Å; R186-K190 WeakPolarHBondContact O-CB 3.32Å; R186-K190 WeakPolarHBondContact O-CD 3.36Å; R186-K190 WeakPolarHBondContact O-CG 3.02Å; R186-K190 PolarHBondContact O-N 2.9Å; K190-C194 WeakPolarHBondContact O-CA 3.33Å; K190-C194 WeakPolarHBondContact O-CB 3.36Å; K190-C194 PolarHBondContact O-N 2.81Å; K190-C194 PolarHBondContact O-SG 3.13Å; K190-N518 PolarHBondContact NZ-OD1 3.29Å
191	L	32.9	Very low	36	Very low	93 Å²	93	86.2 Å²	86.2	49%	0.487	45%	0.454	S	S	.	.	H	α-helix	trans	-72.3	-33.4	171.2	-98.2	159.6	0	0	0	111.4	N187 K188 K189 L195	N187-L191 WeakPolarHBondContact O-CA 3.46Å; N187-L191 WeakPolarHBondContact O-CB 3.03Å; N187-L191 WeakPolarHBondContact O-CG 3.34Å; N187-L191 PolarHBondContact O-N 3.48Å; K188-L191 CarbonylContact O-C 3.55Å; K188-L191 WeakPolarHBondContact O-CA 3.09Å; K188-L191 WeakPolarHBondContact O-CB 3.04Å; K188-L191 PolarHBondContact O-N 3.26Å; K188-L191 VanDerWaalsContact O-N 3.09Å; K189-L191 VanDerWaalsContact C-N 3.33Å; L191-L195 WeakPolarHBondContact O-CA 3.46Å; L191-L195 WeakPolarHBondContact O-CB 3.46Å; L191-L195 WeakPolarHBondContact O-CD1 3.3Å; L191-L195 VanDerWaalsContact O-CG 3.24Å; L191-L195 WeakPolarHBondContact O-CG 3.49Å; L191-L195 PolarHBondContact O-N 2.9Å
192	E	39.6	Very low	36.4	Very low	93 Å²	93	84.5 Å²	84.5	44%	0.435	45%	0.45	S	S	.	.	H	α-helix	trans	-76	-38.3	173.2	-73	166.2	179.8	0	0	111	K188 K189 K196	K188-E192 IonicContact NZ-OE1 3.84Å; K188-E192 PolarHBondContact NZ-OE1 3.46Å; K188-E192 WeakPolarHBondContact O-CB 3.47Å; K188-E192 WeakPolarHBondContact O-CG 3.42Å; K188-E192 PolarHBondContact O-N 3.02Å; K189-E192 CarbonylContact O-C 3.57Å; K189-E192 PolarHBondContact O-N 2.92Å; E192-K196 WeakPolarHBondContact O-CA 3.32Å; E192-K196 WeakPolarHBondContact O-CB 3.34Å; E192-K196 PolarHBondContact O-N 3.29Å
193	D	42.9	Very low	37	Very low	77 Å²	77	83.9 Å²	83.9	41%	0.412	44%	0.443	S	S	.	.	H	α-helix	trans	-76.8	-25.7	174.6	-70.9	-33.2	0	0	0	111.2	K189 C197	K189-D193 WeakPolarHBondContact O-CA 3.37Å; K189-D193 WeakPolarHBondContact O-CB 3.39Å; K189-D193 PolarHBondContact O-N 3.33Å; D193-C197 WeakPolarHBondContact O-CB 3.19Å; D193-C197 PolarHBondContact O-N 3.05Å; D193-C197 PolarHBondContact O-SG 3.3Å
194	C	35.3	Very low	37.6	Very low	41 Å²	41	84 Å²	84	28%	0.277	45%	0.449	S	S	.	.	H	α-helix	trans	-87.1	-33.3	170.1	-73.8	0	0	0	0	112.2	K190 K196 C197 L198 W516	K190-C194 WeakPolarHBondContact O-CA 3.33Å; K190-C194 WeakPolarHBondContact O-CB 3.36Å; K190-C194 PolarHBondContact O-N 2.81Å; K190-C194 PolarHBondContact O-SG 3.13Å; C194-K196 VanDerWaalsContact C-N 3.26Å; C194-C197 CarbonylContact O-C 3.58Å; C194-C197 PolarHBondContact O-N 3.02Å; C194-L198 WeakPolarHBondContact O-CB 3.27Å; C194-L198 WeakPolarHBondContact O-CD1 3.41Å; C194-L198 WeakPolarHBondContact O-CG 3.37Å; C194-L198 PolarHBondContact O-N 3.27Å; C194-W516 HydrophobicContact CB-CZ2 4.49Å
195	L	37.6	Very low	38.2	Very low	103 Å²	103	86.2 Å²	86.2	54%	0.539	45%	0.453	S	S	.	.	H	α-helix	trans	-63.4	-40	164.2	-88.1	161.7	0	0	0	109.2	L191 L198 T199	L191-L195 WeakPolarHBondContact O-CA 3.46Å; L191-L195 WeakPolarHBondContact O-CB 3.46Å; L191-L195 WeakPolarHBondContact O-CD1 3.3Å; L191-L195 VanDerWaalsContact O-CG 3.24Å; L191-L195 WeakPolarHBondContact O-CG 3.49Å; L191-L195 PolarHBondContact O-N 2.9Å; L195-L198 CarbonylContact O-C 3.51Å; L195-L198 PolarHBondContact O-N 3.35Å; L195-T199 VanDerWaalsContact O-CB 3.22Å; L195-T199 WeakPolarHBondContact O-CB 3.28Å; L195-T199 PolarHBondContact O-N 3.26Å; L195-T199 PolarHBondContact O-OG1 3.5Å
196	K	45	Very low	38.9	Very low	120 Å²	120	87 Å²	87	52%	0.522	45%	0.454	S	S	.	.	H	α-helix	trans	-69.8	-40.2	173.8	-176	177	176.7	-169.9	0	111.3	E192 C194 L198 T199 D200	E192-K196 WeakPolarHBondContact O-CA 3.32Å; E192-K196 WeakPolarHBondContact O-CB 3.34Å; E192-K196 PolarHBondContact O-N 3.29Å; C194-K196 VanDerWaalsContact C-N 3.26Å; K196-L198 VanDerWaalsContact C-N 3.32Å; K196-L198 PolarHBondContact O-N 2.92Å; K196-T199 CarbonylContact O-C 3.58Å; K196-T199 PolarHBondContact O-N 3.17Å; K196-D200 VanDerWaalsContact CE-OD2 3.28Å; K196-D200 WeakPolarHBondContact CE-OD2 3.48Å; K196-D200 WeakPolarHBondContact CG-OD2 3.24Å; K196-D200 WeakPolarHBondContact O-CA 2.96Å; K196-D200 WeakPolarHBondContact O-CB 3.41Å; K196-D200 VanDerWaalsContact O-CG 3.25Å; K196-D200 PolarHBondContact O-N 3.19Å
197	C	40.4	Very low	39.8	Very low	83 Å²	83	86.6 Å²	86.6	56%	0.561	46%	0.456	S	S	*	.	H	α-helix	trans	-70.7	-24	171.9	-77.5	0	0	0	0	113	D193 C194 A201	D193-C197 WeakPolarHBondContact O-CB 3.19Å; D193-C197 PolarHBondContact O-N 3.05Å; D193-C197 PolarHBondContact O-SG 3.3Å; C194-C197 CarbonylContact O-C 3.58Å; C194-C197 PolarHBondContact O-N 3.02Å; C197-A201 WeakPolarHBondContact O-CA 3.15Å; C197-A201 WeakPolarHBondContact O-CB 3.44Å; C197-A201 PolarHBondContact O-N 2.89Å
198	L	34.7	Very low	40.5	Very low	104 Å²	104	88.3 Å²	88.3	55%	0.545	46%	0.464	S	S	.	.	H	α-helix	trans	-79.1	-33.3	169.9	-77.4	164.6	0	0	0	111.5	C194 L195 K196 S202	C194-L198 WeakPolarHBondContact O-CB 3.27Å; C194-L198 WeakPolarHBondContact O-CD1 3.41Å; C194-L198 WeakPolarHBondContact O-CG 3.37Å; C194-L198 PolarHBondContact O-N 3.27Å; L195-L198 CarbonylContact O-C 3.51Å; L195-L198 PolarHBondContact O-N 3.35Å; K196-L198 VanDerWaalsContact C-N 3.32Å; K196-L198 PolarHBondContact O-N 2.92Å; L198-S202 WeakPolarHBondContact O-CA 3.21Å; L198-S202 WeakPolarHBondContact O-CB 3.45Å; L198-S202 PolarHBondContact O-N 3.43Å
199	T	40	Very low	41.1	Very low	75 Å²	75	88.6 Å²	88.6	46%	0.46	47%	0.468	S	S	.	.	H	α-helix	trans	-78.6	-34.3	174.8	-52.4	0	0	0	0	110.8	L195 K196 L203	L195-T199 VanDerWaalsContact O-CB 3.22Å; L195-T199 WeakPolarHBondContact O-CB 3.28Å; L195-T199 PolarHBondContact O-N 3.26Å; L195-T199 PolarHBondContact O-OG1 3.5Å; K196-T199 CarbonylContact O-C 3.58Å; K196-T199 PolarHBondContact O-N 3.17Å; T199-L203 HydrophobicContact CG2-CD1 4.19Å; T199-L203 WeakPolarHBondContact O-CB 3.45Å; T199-L203 VanDerWaalsContact O-CG 3.24Å; T199-L203 WeakPolarHBondContact O-CG 3.4Å; T199-L203 PolarHBondContact O-N 3.33Å
200	D	44.6	Very low	41.9	Very low	69 Å²	69	85.3 Å²	85.3	37%	0.369	46%	0.46	S	S	.	.	H	α-helix	trans	-79.9	-25.7	172.6	-73.9	-23.4	0	0	0	110.4	K196 S204	K196-D200 VanDerWaalsContact CE-OD2 3.28Å; K196-D200 WeakPolarHBondContact CE-OD2 3.48Å; K196-D200 WeakPolarHBondContact CG-OD2 3.24Å; K196-D200 WeakPolarHBondContact O-CA 2.96Å; K196-D200 WeakPolarHBondContact O-CB 3.41Å; K196-D200 VanDerWaalsContact O-CG 3.25Å; K196-D200 PolarHBondContact O-N 3.19Å; D200-S204 WeakPolarHBondContact O-CA 3.49Å; D200-S204 WeakPolarHBondContact O-CB 3.22Å; D200-S204 PolarHBondContact O-N 2.84Å; D200-S204 PolarHBondContact O-OG 3.46Å
201	A	37.9	Very low	42.5	Very low	52 Å²	52	85 Å²	85	43%	0.43	47%	0.468	S	S	.	.	H	α-helix	trans	-77	-37.3	165.4	0	0	0	0	0	110.9	C197 S204 N205	C197-A201 WeakPolarHBondContact O-CA 3.15Å; C197-A201 WeakPolarHBondContact O-CB 3.44Å; C197-A201 PolarHBondContact O-N 2.89Å; A201-S204 CarbonylContact O-C 3.56Å; A201-S204 PolarHBondContact O-N 3.17Å; A201-N205 WeakPolarHBondContact O-CA 3.49Å; A201-N205 WeakPolarHBondContact O-CB 3.18Å; A201-N205 PolarHBondContact O-N 3.47Å
202	S	37.6	Very low	43.2	Very low	66 Å²	66	83.5 Å²	83.5	46%	0.462	46%	0.46	S	S	.	.	H	α-helix	trans	-63.2	-46.4	170.3	-172.9	0	0	0	0	110.3	L198 S204 N205 E206	L198-S202 WeakPolarHBondContact O-CA 3.21Å; L198-S202 WeakPolarHBondContact O-CB 3.45Å; L198-S202 PolarHBondContact O-N 3.43Å; S202-S204 VanDerWaalsContact C-N 3.34Å; S202-N205 CarbonylContact O-C 3.45Å; S202-N205 PolarHBondContact O-N 3.28Å; S202-E206 WeakPolarHBondContact O-CB 3.3Å; S202-E206 WeakPolarHBondContact O-CG 3.24Å; S202-E206 PolarHBondContact O-N 2.91Å
203	L	44.5	Very low	43.7	Very low	73 Å²	73	86.1 Å²	86.1	38%	0.382	47%	0.469	S	S	.	.	H	α-helix	trans	-71.3	-24.7	173.3	-77.8	164.9	0	0	0	112.6	T199 K207	T199-L203 HydrophobicContact CG2-CD1 4.19Å; T199-L203 WeakPolarHBondContact O-CB 3.45Å; T199-L203 VanDerWaalsContact O-CG 3.24Å; T199-L203 WeakPolarHBondContact O-CG 3.4Å; T199-L203 PolarHBondContact O-N 3.33Å; L203-K207 WeakPolarHBondContact O-CA 3.28Å; L203-K207 WeakPolarHBondContact O-CB 3.24Å; L203-K207 WeakPolarHBondContact O-CD 3.4Å; L203-K207 WeakPolarHBondContact O-CG 3.46Å; L203-K207 PolarHBondContact O-N 3.32Å
204	S	43.5	Very low	44.4	Very low	63 Å²	63	87.3 Å²	87.3	44%	0.441	48%	0.476	S	S	.	.	H	α-helix	trans	-81.9	-19.2	170.3	-64.6	0	0	0	0	112.2	D200 A201 S202 L208	D200-S204 WeakPolarHBondContact O-CA 3.49Å; D200-S204 WeakPolarHBondContact O-CB 3.22Å; D200-S204 PolarHBondContact O-N 2.84Å; D200-S204 PolarHBondContact O-OG 3.46Å; A201-S204 CarbonylContact O-C 3.56Å; A201-S204 PolarHBondContact O-N 3.17Å; S202-S204 VanDerWaalsContact C-N 3.34Å; S204-L208 WeakPolarHBondContact O-CA 3.42Å; S204-L208 VanDerWaalsContact O-CB 3.23Å; S204-L208 WeakPolarHBondContact O-CB 3.49Å; S204-L208 WeakPolarHBondContact O-CD1 3.25Å; S204-L208 PolarHBondContact O-N 2.81Å
205	N	41.7	Very low	44.9	Very low	80 Å²	80	89 Å²	89	43%	0.428	48%	0.482	S	S	.	.	H	α-helix	trans	-88.1	-32.5	171.8	-166.6	7.7	0	0	0	110.7	A201 S202 L208 Q209	A201-N205 WeakPolarHBondContact O-CA 3.49Å; A201-N205 WeakPolarHBondContact O-CB 3.18Å; A201-N205 PolarHBondContact O-N 3.47Å; S202-N205 CarbonylContact O-C 3.45Å; S202-N205 PolarHBondContact O-N 3.28Å; N205-L208 CarbonylContact O-C 3.56Å; N205-L208 PolarHBondContact O-N 3.17Å; N205-Q209 VanDerWaalsContact O-CB 3.3Å; N205-Q209 WeakPolarHBondContact O-CB 3.31Å; N205-Q209 VanDerWaalsContact O-CG 3.31Å; N205-Q209 WeakPolarHBondContact O-CG 3.28Å; N205-Q209 PolarHBondContact O-N 3.5Å
206	E	46.5	Very low	45.4	Very low	118 Å²	118	87.1 Å²	87.1	55%	0.551	47%	0.472	S	S	*	.	H	α-helix	trans	-73	-35	165	-73.1	-171	142.2	0	0	111.2	S202 Q209 S210	S202-E206 WeakPolarHBondContact O-CB 3.3Å; S202-E206 WeakPolarHBondContact O-CG 3.24Å; S202-E206 PolarHBondContact O-N 2.91Å; E206-Q209 PolarHBondContact O-N 3.31Å; E206-S210 WeakPolarHBondContact O-CB 3.25Å; E206-S210 PolarHBondContact O-N 3.43Å; E206-S210 PolarHBondContact O-OG 2.75Å
207	K	50.3	Low	45.9	Very low	133 Å²	133	85.6 Å²	85.6	58%	0.578	47%	0.47	S	S	*	.	H	α-helix	trans	-69.8	-35.1	164.8	-76	169.4	-179.4	173.2	0	111.5	L203 S210 S211	L203-K207 WeakPolarHBondContact O-CA 3.28Å; L203-K207 WeakPolarHBondContact O-CB 3.24Å; L203-K207 WeakPolarHBondContact O-CD 3.4Å; L203-K207 WeakPolarHBondContact O-CG 3.46Å; L203-K207 PolarHBondContact O-N 3.32Å; K207-S210 WeakPolarHBondContact CA-OG 3.2Å; K207-S211 WeakPolarHBondContact O-CA 3.08Å; K207-S211 WeakPolarHBondContact O-CB 3.25Å; K207-S211 PolarHBondContact O-N 2.89Å; K207-S211 PolarHBondContact O-OG 2.65Å
208	L	46.5	Very low	46.5	Very low	98 Å²	98	87.4 Å²	87.4	51%	0.513	47%	0.47	S	S	.	.	H	α-helix	trans	-66.1	-41.2	170.6	-118.2	80.3	0	0	0	110.3	S204 N205 I212	S204-L208 WeakPolarHBondContact O-CA 3.42Å; S204-L208 VanDerWaalsContact O-CB 3.23Å; S204-L208 WeakPolarHBondContact O-CB 3.49Å; S204-L208 WeakPolarHBondContact O-CD1 3.25Å; S204-L208 PolarHBondContact O-N 2.81Å; N205-L208 CarbonylContact O-C 3.56Å; N205-L208 PolarHBondContact O-N 3.17Å; L208-I212 HydrophobicContact CB-CD1 4.42Å; L208-I212 HydrophobicContact CD2-CD1 4.33Å; L208-I212 HydrophobicContact CG-CD1 4.38Å; L208-I212 WeakPolarHBondContact O-CA 3.37Å; L208-I212 WeakPolarHBondContact O-CB 3.3Å; L208-I212 WeakPolarHBondContact O-CD1 3.35Å; L208-I212 WeakPolarHBondContact O-CG1 3.48Å; L208-I212 PolarHBondContact O-N 3.46Å
209	Q	45.5	Very low	47.1	Very low	119 Å²	119	83.9 Å²	83.9	56%	0.556	45%	0.451	S	S	*	.	H	α-helix	trans	-73.8	-33.2	178.8	-77.4	-170.7	24.5	0	0	113	N205 E206 K213	N205-Q209 VanDerWaalsContact O-CB 3.3Å; N205-Q209 WeakPolarHBondContact O-CB 3.31Å; N205-Q209 VanDerWaalsContact O-CG 3.31Å; N205-Q209 WeakPolarHBondContact O-CG 3.28Å; N205-Q209 PolarHBondContact O-N 3.5Å; E206-Q209 PolarHBondContact O-N 3.31Å; Q209-K213 VanDerWaalsContact O-CB 3.24Å; Q209-K213 WeakPolarHBondContact O-CB 3.48Å; Q209-K213 VanDerWaalsContact O-CG 3.28Å; Q209-K213 WeakPolarHBondContact O-CG 3.3Å; Q209-K213 PolarHBondContact O-N 2.63Å
210	S	56.3	Low	47.7	Very low	55 Å²	55	85.6 Å²	85.6	39%	0.385	46%	0.455	S	S	.	.	H	α-helix	trans	-81.4	-31.6	174.7	58.5	0	0	0	0	112.3	E206 K207 N214	E206-S210 WeakPolarHBondContact O-CB 3.25Å; E206-S210 PolarHBondContact O-N 3.43Å; E206-S210 PolarHBondContact O-OG 2.75Å; K207-S210 WeakPolarHBondContact CA-OG 3.2Å; S210-N214 VanDerWaalsContact O-CB 3.26Å; S210-N214 WeakPolarHBondContact O-CB 3.46Å; S210-N214 PolarHBondContact O-N 3.37Å
211	S	49.6	Very low	48.2	Very low	71 Å²	71	88.7 Å²	88.7	50%	0.497	47%	0.465	S	S	.	.	H	α-helix	trans	-72.7	-34.3	165.7	-65.6	0	0	0	0	111.8	K207 L215	K207-S211 WeakPolarHBondContact O-CA 3.08Å; K207-S211 WeakPolarHBondContact O-CB 3.25Å; K207-S211 PolarHBondContact O-N 2.89Å; K207-S211 PolarHBondContact O-OG 2.65Å; S211-L215 WeakPolarHBondContact O-CA 3.27Å; S211-L215 WeakPolarHBondContact O-CB 3.39Å; S211-L215 PolarHBondContact O-N 2.73Å
212	I	46.7	Very low	48.7	Very low	61 Å²	61	87.4 Å²	87.4	31%	0.313	46%	0.455	S	S	.	.	H	α-helix	trans	-71.1	-36.2	171.1	-74.3	163.3	0	0	0	109.5	L208 N216	L208-I212 HydrophobicContact CB-CD1 4.42Å; L208-I212 HydrophobicContact CD2-CD1 4.33Å; L208-I212 HydrophobicContact CG-CD1 4.38Å; L208-I212 WeakPolarHBondContact O-CA 3.37Å; L208-I212 WeakPolarHBondContact O-CB 3.3Å; L208-I212 WeakPolarHBondContact O-CD1 3.35Å; L208-I212 WeakPolarHBondContact O-CG1 3.48Å; L208-I212 PolarHBondContact O-N 3.46Å; I212-N216 WeakPolarHBondContact CG2-ND2 3.23Å; I212-N216 WeakPolarHBondContact O-CA 3.36Å; I212-N216 WeakPolarHBondContact O-CB 3.49Å; I212-N216 PolarHBondContact O-N 3.31Å; I212-N216 PolarHBondContact O-ND2 3.29Å
213	K	51	Low	49.1	Very low	147 Å²	147	88.5 Å²	88.5	64%	0.639	46%	0.455	S	S	*	.	H	α-helix	trans	-64.7	-49.1	169.9	-84.9	178.3	174.4	178.4	0	111.6	Q209 N216 L217	Q209-K213 VanDerWaalsContact O-CB 3.24Å; Q209-K213 WeakPolarHBondContact O-CB 3.48Å; Q209-K213 VanDerWaalsContact O-CG 3.28Å; Q209-K213 WeakPolarHBondContact O-CG 3.3Å; Q209-K213 PolarHBondContact O-N 2.63Å; K213-N216 CarbonylContact O-C 3.5Å; K213-N216 PolarHBondContact O-N 2.92Å; K213-L217 VanDerWaalsContact O-CB 3.32Å; K213-L217 WeakPolarHBondContact O-CB 3.46Å; K213-L217 PolarHBondContact O-N 2.87Å
214	N	56.3	Low	49.4	Very low	102 Å²	102	91.1 Å²	91.1	55%	0.545	47%	0.468	S	S	.	.	H	α-helix	trans	-66.4	-41.7	179	-81.4	-0.8	0	0	0	111.7	S210 L217 E218	S210-N214 VanDerWaalsContact O-CB 3.26Å; S210-N214 WeakPolarHBondContact O-CB 3.46Å; S210-N214 PolarHBondContact O-N 3.37Å; N214-L217 CarbonylContact O-C 3.6Å; N214-L217 WeakPolarHBondContact O-CA 3.49Å; N214-L217 VanDerWaalsContact O-CB 3.29Å; N214-L217 WeakPolarHBondContact O-CB 3.3Å; N214-L217 PolarHBondContact O-N 2.71Å; N214-L217 VanDerWaalsContact O-N 3.08Å; N214-E218 WeakPolarHBondContact O-CB 3.45Å; N214-E218 WeakPolarHBondContact O-CG 3.38Å; N214-E218 PolarHBondContact O-N 2.91Å
215	L	46.9	Very low	49.5	Very low	76 Å²	76	92 Å²	92	40%	0.398	48%	0.475	S	S	.	.	H	α-helix	trans	-69.6	-34.6	175.3	-159.4	82.1	0	0	0	110.7	S211 L217 E218 I219	S211-L215 WeakPolarHBondContact O-CA 3.27Å; S211-L215 WeakPolarHBondContact O-CB 3.39Å; S211-L215 PolarHBondContact O-N 2.73Å; L215-L217 VanDerWaalsContact C-N 3.29Å; L215-L217 PolarHBondContact O-N 2.71Å; L215-E218 PolarHBondContact O-N 2.71Å; L215-I219 HydrophobicContact CD2-CD1 4.32Å; L215-I219 HydrophobicContact CG-CD1 4.14Å; L215-I219 WeakPolarHBondContact O-CB 3.49Å; L215-I219 WeakPolarHBondContact O-CD1 3.45Å; L215-I219 WeakPolarHBondContact O-CG1 3.48Å; L215-I219 PolarHBondContact O-N 2.74Å
216	N	47.3	Very low	49.6	Very low	65 Å²	65	88.8 Å²	88.8	35%	0.348	46%	0.459	S	S	.	.	H	α-helix	trans	-68.4	-28.6	168.3	-74.4	-20.4	0	0	0	112	I212 K213 M220	I212-N216 WeakPolarHBondContact CG2-ND2 3.23Å; I212-N216 WeakPolarHBondContact O-CA 3.36Å; I212-N216 WeakPolarHBondContact O-CB 3.49Å; I212-N216 PolarHBondContact O-N 3.31Å; I212-N216 PolarHBondContact O-ND2 3.29Å; K213-N216 CarbonylContact O-C 3.5Å; K213-N216 PolarHBondContact O-N 2.92Å; N216-M220 VanDerWaalsContact O-CB 3.3Å; N216-M220 WeakPolarHBondContact O-CB 3.36Å; N216-M220 WeakPolarHBondContact O-CE 3.4Å; N216-M220 WeakPolarHBondContact O-CG 3.27Å; N216-M220 PolarHBondContact O-N 2.91Å
217	L	56.2	Low	49.6	Very low	88 Å²	88	91.9 Å²	91.9	46%	0.461	47%	0.47	S	S	.	.	H	α-helix	trans	-75.1	-36.6	174.1	-149.6	84.9	0	0	0	111.3	K213 N214 L215 K221	K213-L217 VanDerWaalsContact O-CB 3.32Å; K213-L217 WeakPolarHBondContact O-CB 3.46Å; K213-L217 PolarHBondContact O-N 2.87Å; N214-L217 CarbonylContact O-C 3.6Å; N214-L217 WeakPolarHBondContact O-CA 3.49Å; N214-L217 VanDerWaalsContact O-CB 3.29Å; N214-L217 WeakPolarHBondContact O-CB 3.3Å; N214-L217 PolarHBondContact O-N 2.71Å; N214-L217 VanDerWaalsContact O-N 3.08Å; L215-L217 VanDerWaalsContact C-N 3.29Å; L215-L217 PolarHBondContact O-N 2.71Å; L217-K221 WeakPolarHBondContact O-CB 3.5Å; L217-K221 VanDerWaalsContact O-CG 3.23Å; L217-K221 WeakPolarHBondContact O-CG 3.2Å; L217-K221 PolarHBondContact O-N 2.85Å
218	E	51.8	Low	49.4	Very low	120 Å²	120	89.6 Å²	89.6	56%	0.561	48%	0.477	S	S	*	.	H	α-helix	trans	-73.3	-38.1	173.2	-75.1	177.1	162.9	0	0	110.9	N214 L215 K221 A222	N214-E218 WeakPolarHBondContact O-CB 3.45Å; N214-E218 WeakPolarHBondContact O-CG 3.38Å; N214-E218 PolarHBondContact O-N 2.91Å; L215-E218 PolarHBondContact O-N 2.71Å; E218-K221 PolarHBondContact O-N 2.83Å; E218-A222 WeakPolarHBondContact O-CA 3.32Å; E218-A222 WeakPolarHBondContact O-CB 3.3Å; E218-A222 PolarHBondContact O-N 2.69Å
219	I	48.9	Very low	49.5	Very low	31 Å²	31	87.5 Å²	87.5	16%	0.159	47%	0.466	C	S	.	.	H	α-helix	trans	-65.3	-41.3	169.8	-71.5	165.6	0	0	0	109.8	L215 A222 I223 V236 Y240	L215-I219 HydrophobicContact CD2-CD1 4.32Å; L215-I219 HydrophobicContact CG-CD1 4.14Å; L215-I219 WeakPolarHBondContact O-CB 3.49Å; L215-I219 WeakPolarHBondContact O-CD1 3.45Å; L215-I219 WeakPolarHBondContact O-CG1 3.48Å; L215-I219 PolarHBondContact O-N 2.74Å; I219-A222 PolarHBondContact O-N 2.85Å; I219-I223 HydrophobicContact CG2-CD1 3.66Å; I219-I223 HydrophobicContact CG2-CG1 4.4Å; I219-I223 VanDerWaalsContact O-CB 3.29Å; I219-I223 WeakPolarHBondContact O-CB 3.45Å; I219-I223 WeakPolarHBondContact O-CD1 3.28Å; I219-I223 WeakPolarHBondContact O-CG1 3.47Å; I219-I223 PolarHBondContact O-N 3.42Å; I219-V236 HydrophobicContact CG1-CG1 3.91Å; I219-V236 HydrophobicContact CG2-CG1 4.08Å; I219-Y240 HydrophobicContact CD1-CD2 4.48Å
220	M	51.7	Low	49.6	Very low	110 Å²	110	90 Å²	90	54%	0.542	48%	0.477	S	S	.	.	H	α-helix	trans	-64.8	-43.1	171.7	-90.5	-175.5	-91	0	0	112.2	N216 I223 L224	N216-M220 VanDerWaalsContact O-CB 3.3Å; N216-M220 WeakPolarHBondContact O-CB 3.36Å; N216-M220 WeakPolarHBondContact O-CE 3.4Å; N216-M220 WeakPolarHBondContact O-CG 3.27Å; N216-M220 PolarHBondContact O-N 2.91Å; M220-I223 PolarHBondContact O-N 3.15Å; M220-L224 WeakPolarHBondContact O-CB 3.06Å; M220-L224 WeakPolarHBondContact O-CD1 3.41Å; M220-L224 WeakPolarHBondContact O-CG 3.39Å; M220-L224 PolarHBondContact O-N 2.96Å
221	K	56.2	Low	49.4	Very low	134 Å²	134	92.6 Å²	92.6	58%	0.583	48%	0.484	S	S	*	.	H	α-helix	trans	-63.3	-41.1	175	-78.2	172.9	178.1	-176.8	0	111.7	L217 E218 L224 S225	L217-K221 WeakPolarHBondContact O-CB 3.5Å; L217-K221 VanDerWaalsContact O-CG 3.23Å; L217-K221 WeakPolarHBondContact O-CG 3.2Å; L217-K221 PolarHBondContact O-N 2.85Å; E218-K221 PolarHBondContact O-N 2.83Å; K221-L224 CarbonylContact O-C 3.52Å; K221-L224 WeakPolarHBondContact O-CB 3.02Å; K221-L224 PolarHBondContact O-N 2.75Å; K221-S225 PolarHBondContact O-N 3.26Å; K221-S225 PolarHBondContact O-OG 3.33Å
222	A	47.1	Very low	49	Very low	25 Å²	25	94.6 Å²	94.6	21%	0.207	49%	0.485	C	S	.	.	H	α-helix	trans	-66.7	-42.2	175.8	0	0	0	0	0	111.4	E218 I219 L224 S225 A226	E218-A222 WeakPolarHBondContact O-CA 3.32Å; E218-A222 WeakPolarHBondContact O-CB 3.3Å; E218-A222 PolarHBondContact O-N 2.69Å; I219-A222 PolarHBondContact O-N 2.85Å; A222-L224 PolarHBondContact O-N 3.35Å; A222-S225 WeakPolarHBondContact CA-OG 3.09Å; A222-S225 PolarHBondContact O-N 2.63Å; A222-S225 PolarHBondContact O-OG 2.86Å; A222-A226 WeakPolarHBondContact O-CA 3.41Å; A222-A226 WeakPolarHBondContact O-CB 3.48Å; A222-A226 PolarHBondContact O-N 3.35Å
223	I	47.2	Very low	48.7	Very low	90 Å²	90	96.5 Å²	96.5	46%	0.462	49%	0.494	S	S	.	.	H	α-helix	trans	-64.6	-28.6	172.5	-71.4	166.2	0	0	0	111.4	I219 M220 M233	I219-I223 HydrophobicContact CG2-CD1 3.66Å; I219-I223 HydrophobicContact CG2-CG1 4.4Å; I219-I223 VanDerWaalsContact O-CB 3.29Å; I219-I223 WeakPolarHBondContact O-CB 3.45Å; I219-I223 WeakPolarHBondContact O-CD1 3.28Å; I219-I223 WeakPolarHBondContact O-CG1 3.47Å; I219-I223 PolarHBondContact O-N 3.42Å; M220-I223 PolarHBondContact O-N 3.15Å; I223-M233 HydrophobicContact CG1-SD 4.28Å
224	L	49.1	Very low	48.7	Very low	128 Å²	128	96.3 Å²	96.3	67%	0.67	49%	0.493	S	S	*	.	H	α-helix	trans	-79.8	-31.5	174.5	-72.3	165.5	0	0	0	113.3	M220 K221 A222	M220-L224 WeakPolarHBondContact O-CB 3.06Å; M220-L224 WeakPolarHBondContact O-CD1 3.41Å; M220-L224 WeakPolarHBondContact O-CG 3.39Å; M220-L224 PolarHBondContact O-N 2.96Å; K221-L224 CarbonylContact O-C 3.52Å; K221-L224 WeakPolarHBondContact O-CB 3.02Å; K221-L224 PolarHBondContact O-N 2.75Å; A222-L224 PolarHBondContact O-N 3.35Å
225	S	47.6	Very low	48.4	Very low	82 Å²	82	94.6 Å²	94.6	57%	0.573	49%	0.489	S	S	*	.	H	α-helix	trans	-90.4	-46.4	178.7	62.1	0	0	0	0	113.4	K221 A222 K227	K221-S225 PolarHBondContact O-N 3.26Å; K221-S225 PolarHBondContact O-OG 3.33Å; A222-S225 WeakPolarHBondContact CA-OG 3.09Å; A222-S225 PolarHBondContact O-N 2.63Å; A222-S225 PolarHBondContact O-OG 2.86Å; S225-K227 PolarHBondContact O-N 2.81Å
226	A	42.7	Very low	48.3	Very low	11 Å²	11	92.5 Å²	92.5	9%	0.091	48%	0.479	C	S	.	.			trans	-72.4	21.3	174.8	0	0	0	0	0	113	A222 A228 N229 E232 M233	A222-A226 WeakPolarHBondContact O-CA 3.41Å; A222-A226 WeakPolarHBondContact O-CB 3.48Å; A222-A226 PolarHBondContact O-N 3.35Å; A226-A228 PolarHBondContact O-N 3.46Å; A226-N229 PolarHBondContact O-N 3.4Å; A226-E232 HydrophobicContact CB-CB 4.13Å; A226-M233 HydrophobicContact CB-CG 4.38Å
227	K	46	Very low	48.4	Very low	183 Å²	183	94.1 Å²	94.1	80%	0.796	49%	0.485	S	S	*	.	S	Bend	trans	-67.1	7.6	164.3	-140.5	175.9	-173.3	178.8	0	112.9	S225	S225-K227 PolarHBondContact O-N 2.81Å
228	A	45.7	Very low	48.5	Very low	86 Å²	86	93.4 Å²	93.4	71%	0.711	48%	0.481	S	S	*	.	S	Bend	trans	-131.5	-16.4	180	0	0	0	0	0	115.1	A226	A226-A228 PolarHBondContact O-N 3.46Å
229	N	49.9	Very low	48.5	Very low	54 Å²	54	93.1 Å²	93.1	29%	0.289	48%	0.483	S	S	.	.			trans	-132.2	135.6	-174.7	-81.4	81.4	0	0	0	111.7	E6 A226	E6-N229 PolarHBondContact OE1-ND2 3.39Å; A226-N229 PolarHBondContact O-N 3.4Å
230	E	47.9	Very low	48.3	Very low	171 Å²	171	97.7 Å²	97.7	80%	0.799	50%	0.499	S	S	*	.	H	α-helix	trans	-94.7	-29.7	-166.3	-156.5	163.7	-145.7	0	0	113	F234	E230-F234 PolarHBondContact O-N 2.74Å
231	E	51.9	Low	48.4	Very low	110 Å²	110	98 Å²	98	51%	0.514	50%	0.497	S	S	.	.	H	α-helix	trans	-68.9	-38.9	178.3	-76.6	-157.1	135	0	0	114	I8 M233 F234 S235	I8-E231 WeakPolarHBondContact CD1-OE2 3.29Å; E231-M233 VanDerWaalsContact C-N 3.31Å; E231-M233 PolarHBondContact O-N 3.45Å; E231-F234 WeakPolarHBondContact O-CB 3.07Å; E231-F234 PolarHBondContact O-N 3.23Å; E231-S235 PolarHBondContact O-N 3.46Å
232	E	41.9	Very low	48.5	Very low	113 Å²	113	97 Å²	97	53%	0.528	50%	0.498	S	S	.	.	H	α-helix	trans	-59.7	-44.2	178.3	-74.7	-160.5	134.4	0	0	111	A226 F234 S235 V236	A226-E232 HydrophobicContact CB-CB 4.13Å; E232-F234 VanDerWaalsContact C-N 3.27Å; E232-F234 PolarHBondContact O-N 3.46Å; E232-S235 PolarHBondContact O-N 3.33Å; E232-S235 VanDerWaalsContact O-N 3.16Å; E232-S235 PolarHBondContact O-OG 3.39Å; E232-V236 WeakPolarHBondContact O-CG2 2.97Å; E232-V236 PolarHBondContact O-N 2.76Å
233	M	40.2	Very low	48.5	Very low	101 Å²	101	99.9 Å²	99.9	50%	0.498	51%	0.507	S	S	.	.	H	α-helix	trans	-55.7	-39.6	173.3	-91.5	-89.2	-81.8	0	0	112.4	I223 A226 E231 H237	I223-M233 HydrophobicContact CG1-SD 4.28Å; A226-M233 HydrophobicContact CB-CG 4.38Å; E231-M233 VanDerWaalsContact C-N 3.31Å; E231-M233 PolarHBondContact O-N 3.45Å; M233-H237 WeakPolarHBondContact O-CB 3.07Å; M233-H237 PolarHBondContact O-N 2.81Å
234	F	51	Low	48.4	Very low	143 Å²	143	99.4 Å²	99.4	63%	0.627	51%	0.505	S	S	*	.	H	α-helix	trans	-70.5	-35.5	178.6	-147.3	-88.8	0	0	0	112.5	E230 E231 E232 N238	E230-F234 PolarHBondContact O-N 2.74Å; E231-F234 WeakPolarHBondContact O-CB 3.07Å; E231-F234 PolarHBondContact O-N 3.23Å; E232-F234 VanDerWaalsContact C-N 3.27Å; E232-F234 PolarHBondContact O-N 3.46Å; F234-N238 VanDerWaalsContact CD1-ND2 3.3Å; F234-N238 WeakPolarHBondContact CD1-ND2 3.42Å; F234-N238 WeakPolarHBondContact CE1-ND2 3.46Å; F234-N238 PolarHBondContact O-N 2.86Å; F234-N238 PolarHBondContact O-ND2 3.15Å
235	S	49.9	Very low	48.7	Very low	65 Å²	65	99.4 Å²	99.4	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-66.8	-44.4	174.5	81	0	0	0	0	111.8	E231 E232 N238 L239	E231-S235 PolarHBondContact O-N 3.46Å; E232-S235 PolarHBondContact O-N 3.33Å; E232-S235 VanDerWaalsContact O-N 3.16Å; E232-S235 PolarHBondContact O-OG 3.39Å; S235-N238 PolarHBondContact O-N 2.81Å; S235-L239 PolarHBondContact O-N 3.49Å
236	V	43.9	Very low	48.9	Very low	32 Å²	32	104 Å²	104	19%	0.194	51%	0.506	C	S	.	.	H	α-helix	trans	-63.6	-42.8	177.4	168.4	0	0	0	0	111.1	I219 E232 N238 L239 Y240	I219-V236 HydrophobicContact CG1-CG1 3.91Å; I219-V236 HydrophobicContact CG2-CG1 4.08Å; E232-V236 WeakPolarHBondContact O-CG2 2.97Å; E232-V236 PolarHBondContact O-N 2.76Å; V236-N238 PolarHBondContact O-N 2.79Å; V236-L239 PolarHBondContact O-N 3.17Å; V236-Y240 WeakPolarHBondContact O-CB 3.4Å; V236-Y240 PolarHBondContact O-N 3.41Å
237	H	50.6	Low	48.9	Very low	100 Å²	100	106.6 Å²	106.6	46%	0.463	52%	0.521	S	S	.	.	H	α-helix	trans	-61.6	-41.9	176.8	-174.1	82.3	0	0	0	112.2	M233 Y240 K241	M233-H237 WeakPolarHBondContact O-CB 3.07Å; M233-H237 PolarHBondContact O-N 2.81Å; H237-Y240 PolarHBondContact O-N 3.46Å; H237-K241 WeakPolarHBondContact O-CB 3.09Å; H237-K241 PolarHBondContact O-N 3.36Å
238	N	58.4	Low	48.9	Very low	73 Å²	73	102.5 Å²	102.5	39%	0.39	51%	0.505	S	S	.	.	H	α-helix	trans	-67.6	-40	177.8	-78.3	-54.4	0	0	0	112.8	F234 S235 V236 K241 L242	F234-N238 VanDerWaalsContact CD1-ND2 3.3Å; F234-N238 WeakPolarHBondContact CD1-ND2 3.42Å; F234-N238 WeakPolarHBondContact CE1-ND2 3.46Å; F234-N238 PolarHBondContact O-N 2.86Å; F234-N238 PolarHBondContact O-ND2 3.15Å; S235-N238 PolarHBondContact O-N 2.81Å; V236-N238 PolarHBondContact O-N 2.79Å; N238-K241 PolarHBondContact O-N 3.32Å; N238-L242 PolarHBondContact O-N 2.83Å
239	L	51.7	Low	49.1	Very low	113 Å²	113	101.3 Å²	101.3	59%	0.592	49%	0.491	S	S	*	.	H	α-helix	trans	-60.4	-47.6	172.8	-82.3	166.4	0	0	0	111.5	S235 V236 K241 L242 Q243	S235-L239 PolarHBondContact O-N 3.49Å; V236-L239 PolarHBondContact O-N 3.17Å; L239-K241 VanDerWaalsContact C-N 3.29Å; L239-K241 PolarHBondContact O-N 2.92Å; L239-L242 PolarHBondContact O-N 2.78Å; L239-Q243 WeakPolarHBondContact O-CB 3.19Å; L239-Q243 PolarHBondContact O-N 3.03Å
240	Y	44.3	Very low	48.9	Very low	127 Å²	127	102.9 Å²	102.9	50%	0.498	50%	0.5	S	S	.	.	H	α-helix	trans	-58.3	-41.4	176.8	-172.5	-91.7	0	0	0	112.2	I219 V236 H237 Q243 L244	I219-Y240 HydrophobicContact CD1-CD2 4.48Å; V236-Y240 WeakPolarHBondContact O-CB 3.4Å; V236-Y240 PolarHBondContact O-N 3.41Å; H237-Y240 PolarHBondContact O-N 3.46Å; Y240-Q243 WeakPolarHBondContact O-CB 2.92Å; Y240-Q243 PolarHBondContact O-N 3.24Å; Y240-L244 WeakPolarHBondContact O-CB 3.38Å; Y240-L244 PolarHBondContact O-N 2.95Å
241	K	52.4	Low	48.7	Very low	116 Å²	116	101 Å²	101	50%	0.504	49%	0.491	S	S	.	.	H	α-helix	trans	-67.9	-39.9	-179.5	-157.7	170.1	-167.2	166.4	0	113	H237 N238 L239 L244 Q245	H237-K241 WeakPolarHBondContact O-CB 3.09Å; H237-K241 PolarHBondContact O-N 3.36Å; N238-K241 PolarHBondContact O-N 3.32Å; L239-K241 VanDerWaalsContact C-N 3.29Å; L239-K241 PolarHBondContact O-N 2.92Å; K241-L244 PolarHBondContact O-N 3.03Å; K241-Q245 PolarHBondContact O-N 2.95Å
242	L	60	Low	48.6	Very low	114 Å²	114	104 Å²	104	60%	0.597	50%	0.498	S	S	*	.	H	α-helix	trans	-64.3	-42.5	170.9	-95.2	161.3	0	0	0	111.9	N238 L239 L244 R246	N238-L242 PolarHBondContact O-N 2.83Å; L239-L242 PolarHBondContact O-N 2.78Å; L242-L244 VanDerWaalsContact C-N 3.33Å; L242-L244 PolarHBondContact O-N 3.44Å; L242-R246 PolarHBondContact O-N 3.15Å
243	Q	46.1	Very low	49	Very low	85 Å²	85	102.2 Å²	102.2	40%	0.397	49%	0.494	S	S	.	.	H	α-helix	trans	-62.4	-41.2	177.4	-149.3	78.5	-15.4	0	0	111.5	L239 Y240 R246 T247	L239-Q243 WeakPolarHBondContact O-CB 3.19Å; L239-Q243 PolarHBondContact O-N 3.03Å; Y240-Q243 WeakPolarHBondContact O-CB 2.92Å; Y240-Q243 PolarHBondContact O-N 3.24Å; Q243-R246 PolarHBondContact O-N 3.48Å; Q243-T247 PolarHBondContact O-N 3.4Å; Q243-T247 PolarHBondContact O-OG1 2.94Å
244	L	45.7	Very low	49.2	Very low	81 Å²	81	101.3 Å²	101.3	42%	0.424	49%	0.491	S	S	.	.	H	α-helix	trans	-61.8	-52.6	178.3	-165.2	75.2	0	0	0	111.4	Y240 K241 L242 R246 T247 E248	Y240-L244 WeakPolarHBondContact O-CB 3.38Å; Y240-L244 PolarHBondContact O-N 2.95Å; K241-L244 PolarHBondContact O-N 3.03Å; L242-L244 VanDerWaalsContact C-N 3.33Å; L242-L244 PolarHBondContact O-N 3.44Å; L244-R246 VanDerWaalsContact C-N 3.25Å; L244-R246 PolarHBondContact O-N 2.98Å; L244-T247 PolarHBondContact O-N 3.33Å; L244-T247 VanDerWaalsContact O-N 3.08Å; L244-E248 WeakPolarHBondContact O-CG 3.3Å; L244-E248 PolarHBondContact O-N 2.96Å
245	Q	55.3	Low	48.9	Very low	128 Å²	128	96 Å²	96	60%	0.598	47%	0.474	S	S	*	.	H	α-helix	trans	-58.1	-36.9	178.3	-73.2	-170.9	-47.7	0	0	112.9	K241 S249	K241-Q245 PolarHBondContact O-N 2.95Å; Q245-S249 WeakPolarHBondContact O-CB 3.48Å; Q245-S249 PolarHBondContact O-N 3.36Å
246	R	51.6	Low	48.9	Very low	177 Å²	177	99.7 Å²	99.7	67%	0.668	48%	0.484	S	S	*	.	H	α-helix	trans	-68	-41.9	176.7	-149	175.2	-165.7	176.4	3.6	111.6	L242 Q243 L244 S249 D250	L242-R246 PolarHBondContact O-N 3.15Å; Q243-R246 PolarHBondContact O-N 3.48Å; L244-R246 VanDerWaalsContact C-N 3.25Å; L244-R246 PolarHBondContact O-N 2.98Å; R246-S249 WeakPolarHBondContact O-CB 3.42Å; R246-S249 PolarHBondContact O-N 3.17Å; R246-D250 PolarHBondContact O-N 2.97Å
247	T	42.3	Very low	49.1	Very low	66 Å²	66	102.8 Å²	102.8	41%	0.405	50%	0.496	S	S	.	.	H	α-helix	trans	-67.4	-38.4	177.6	-45.9	0	0	0	0	111.8	Q243 L244 Q251	Q243-T247 PolarHBondContact O-N 3.4Å; Q243-T247 PolarHBondContact O-OG1 2.94Å; L244-T247 PolarHBondContact O-N 3.33Å; L244-T247 VanDerWaalsContact O-N 3.08Å; T247-Q251 WeakPolarHBondContact O-CB 3.24Å; T247-Q251 WeakPolarHBondContact O-CG 3.35Å; T247-Q251 PolarHBondContact O-N 2.93Å
248	E	45.7	Very low	49.1	Very low	97 Å²	97	98.9 Å²	98.9	45%	0.453	48%	0.478	S	S	.	.	H	α-helix	trans	-65.7	-39.3	173.4	-71.6	-179.8	158.4	0	0	112.4	L244 R252	L244-E248 WeakPolarHBondContact O-CG 3.3Å; L244-E248 PolarHBondContact O-N 2.96Å; E248-R252 WeakPolarHBondContact O-CG 3.39Å; E248-R252 PolarHBondContact O-N 3.28Å; E248-R252 VanDerWaalsContact O-N 3.14Å
249	S	50.8	Low	49	Very low	61 Å²	61	100 Å²	100	43%	0.427	49%	0.491	S	S	.	.	H	α-helix	trans	-58.2	-55.1	172.5	161.5	0	0	0	0	110.9	Q245 R246 Q251 R252 V253	Q245-S249 WeakPolarHBondContact O-CB 3.48Å; Q245-S249 PolarHBondContact O-N 3.36Å; R246-S249 WeakPolarHBondContact O-CB 3.42Å; R246-S249 PolarHBondContact O-N 3.17Å; S249-Q251 VanDerWaalsContact C-N 3.29Å; S249-Q251 PolarHBondContact O-N 3.49Å; S249-R252 PolarHBondContact O-N 3.22Å; S249-V253 PolarHBondContact O-N 3.46Å
250	D	46.4	Very low	49.3	Very low	88 Å²	88	97.1 Å²	97.1	47%	0.471	47%	0.474	S	S	.	.	H	α-helix	trans	-67	-32.6	-174.9	-59.7	-11.9	0	0	0	111.2	R246 L254	R246-D250 PolarHBondContact O-N 2.97Å; D250-L254 WeakPolarHBondContact O-CB 3.47Å; D250-L254 PolarHBondContact O-N 3.31Å; D250-L254 VanDerWaalsContact O-N 3.13Å
251	Q	43.9	Very low	49.8	Very low	130 Å²	130	91.1 Å²	91.1	61%	0.607	45%	0.451	S	S	*	.	H	α-helix	trans	-64.7	-34.7	170.2	-81.8	-172	-20.2	0	0	113.7	T247 S249 A255	T247-Q251 WeakPolarHBondContact O-CB 3.24Å; T247-Q251 WeakPolarHBondContact O-CG 3.35Å; T247-Q251 PolarHBondContact O-N 2.93Å; S249-Q251 VanDerWaalsContact C-N 3.29Å; S249-Q251 PolarHBondContact O-N 3.49Å; Q251-A255 VanDerWaalsContact O-CB 3.28Å; Q251-A255 WeakPolarHBondContact O-CB 3.26Å; Q251-A255 PolarHBondContact O-N 3.19Å
252	R	48.2	Very low	50	Low	175 Å²	175	88.2 Å²	88.2	66%	0.66	44%	0.439	S	S	*	.	H	α-helix	trans	-70	-43.4	176.3	-75	-174.9	-168.5	179.1	6.2	112.3	E248 S249 L254 A255 E256	E248-R252 WeakPolarHBondContact O-CG 3.39Å; E248-R252 PolarHBondContact O-N 3.28Å; E248-R252 VanDerWaalsContact O-N 3.14Å; S249-R252 PolarHBondContact O-N 3.22Å; R252-L254 PolarHBondContact O-N 3.06Å; R252-A255 WeakPolarHBondContact O-CA 3.23Å; R252-A255 WeakPolarHBondContact O-CB 3.28Å; R252-A255 PolarHBondContact O-N 3.44Å; R252-E256 PolarHBondContact O-N 3.36Å
253	V	51.1	Low	50	Low	75 Å²	75	84.3 Å²	84.3	46%	0.455	43%	0.425	S	S	.	.	H	α-helix	trans	-61	-48.1	177.5	179.7	0	0	0	0	110.1	S249 A255 E256 E257	S249-V253 PolarHBondContact O-N 3.46Å; V253-A255 PolarHBondContact O-N 2.96Å; V253-E256 PolarHBondContact O-N 2.95Å; V253-E257 WeakPolarHBondContact O-CG 3.04Å; V253-E257 PolarHBondContact O-N 3.45Å
254	L	45.2	Very low	50.8	Low	81 Å²	81	80.6 Å²	80.6	42%	0.424	41%	0.408	S	S	.	.	H	α-helix	trans	-59.3	-28.3	173.1	-86.8	162.3	0	0	0	113.4	D250 R252 N258	D250-L254 WeakPolarHBondContact O-CB 3.47Å; D250-L254 PolarHBondContact O-N 3.31Å; D250-L254 VanDerWaalsContact O-N 3.13Å; R252-L254 PolarHBondContact O-N 3.06Å; L254-N258 VanDerWaalsContact O-CB 3.28Å; L254-N258 WeakPolarHBondContact O-CB 3.27Å; L254-N258 PolarHBondContact O-N 2.95Å; L254-N258 VanDerWaalsContact O-N 3.12Å; L254-N258 PolarHBondContact O-ND2 3.41Å
255	A	43.8	Very low	51.3	Low	32 Å²	32	76.8 Å²	76.8	26%	0.264	39%	0.388	S	S	.	.	H	α-helix	trans	-76.9	-39.8	177.8	0	0	0	0	0	113.6	Q251 R252 V253 N258 C259 W291	Q251-A255 VanDerWaalsContact O-CB 3.28Å; Q251-A255 WeakPolarHBondContact O-CB 3.26Å; Q251-A255 PolarHBondContact O-N 3.19Å; R252-A255 WeakPolarHBondContact O-CA 3.23Å; R252-A255 WeakPolarHBondContact O-CB 3.28Å; R252-A255 PolarHBondContact O-N 3.44Å; V253-A255 PolarHBondContact O-N 2.96Å; A255-N258 WeakPolarHBondContact O-CB 3.36Å; A255-N258 PolarHBondContact O-N 2.97Å; A255-C259 PolarHBondContact O-N 3.34Å; A255-C259 VanDerWaalsContact O-N 3.12Å; A255-W291 HydrophobicContact CB-CH2 3.49Å; A255-W291 VanDerWaalsContact CB-CH2 3.49Å; A255-W291 HydrophobicContact CB-CZ3 3.72Å
256	E	48.9	Very low	51.5	Low	143 Å²	143	72.4 Å²	72.4	67%	0.668	37%	0.369	S	S	*	.	H	α-helix	trans	-70.2	-43.6	177	-69.6	173.1	177.9	0	0	110.5	R252 V253 N258 C259 H260	R252-E256 PolarHBondContact O-N 3.36Å; V253-E256 PolarHBondContact O-N 2.95Å; E256-N258 VanDerWaalsContact C-N 3.33Å; E256-N258 PolarHBondContact O-N 3.37Å; E256-C259 PolarHBondContact O-N 3.02Å; E256-H260 PolarHBondContact O-N 3.34Å; E256-H260 VanDerWaalsContact O-N 3.11Å
257	E	49.8	Very low	52	Low	97 Å²	97	66.8 Å²	66.8	45%	0.453	35%	0.352	S	S	.	.	H	α-helix	trans	-60.5	-39.3	172	-70.4	-174.4	162.9	0	0	112.7	V253 C261	V253-E257 WeakPolarHBondContact O-CG 3.04Å; V253-E257 PolarHBondContact O-N 3.45Å; E257-C261 WeakPolarHBondContact O-CB 3.17Å; E257-C261 PolarHBondContact O-N 2.99Å; E257-C261 PolarHBondContact O-SG 2.84Å
258	N	50.8	Low	52.8	Low	17 Å²	17	63.7 Å²	63.7	9%	0.091	33%	0.333	C	S	.	.	H	α-helix	trans	-57.3	-49.4	173.5	-105.4	-90.5	0	0	0	111.8	L254 A255 E256 H260 C261 F262 W291 Y295	L254-N258 VanDerWaalsContact O-CB 3.28Å; L254-N258 WeakPolarHBondContact O-CB 3.27Å; L254-N258 PolarHBondContact O-N 2.95Å; L254-N258 VanDerWaalsContact O-N 3.12Å; L254-N258 PolarHBondContact O-ND2 3.41Å; A255-N258 WeakPolarHBondContact O-CB 3.36Å; A255-N258 PolarHBondContact O-N 2.97Å; E256-N258 VanDerWaalsContact C-N 3.33Å; E256-N258 PolarHBondContact O-N 3.37Å; N258-H260 PolarHBondContact O-N 2.67Å; N258-C261 PolarHBondContact O-N 2.62Å; N258-F262 WeakPolarHBondContact O-CB 3.46Å; N258-F262 PolarHBondContact O-N 2.66Å; N258-W291 HydrophobicContact CB-CH2 4.2Å; N258-W291 HydrophobicContact CB-CZ3 4.25Å; N258-Y295 HydrophobicContact CB-CD2 4.18Å; N258-Y295 VanDerWaalsContact ND2-CD2 3.3Å; N258-Y295 WeakPolarHBondContact ND2-CD2 3.32Å; N258-Y295 VanDerWaalsContact OD1-CB 3.27Å; N258-Y295 WeakPolarHBondContact OD1-CB 3.35Å; N258-Y295 VanDerWaalsContact OD1-CD2 3.32Å; N258-Y295 WeakPolarHBondContact OD1-CD2 3.28Å
259	C	55.7	Low	53.4	Low	96 Å²	96	59.1 Å²	59.1	65%	0.649	31%	0.311	S	S	*	.	H	α-helix	trans	-64.4	-42.1	-175.6	-156.5	0	0	0	0	111.4	A255 E256 F262 G263	A255-C259 PolarHBondContact O-N 3.34Å; A255-C259 VanDerWaalsContact O-N 3.12Å; E256-C259 PolarHBondContact O-N 3.02Å; C259-F262 PolarHBondContact O-N 3.3Å; C259-G263 PolarHBondContact O-N 2.86Å
260	H	58.4	Low	53.8	Low	53 Å²	53	61 Å²	61	25%	0.245	31%	0.312	C	S	.	.	H	α-helix	trans	-67.9	-44	177.6	-162.7	45.4	0	0	0	112.6	E256 N258 F262 G263 M264 D507 Q509 S510	E256-H260 PolarHBondContact O-N 3.34Å; E256-H260 VanDerWaalsContact O-N 3.11Å; N258-H260 PolarHBondContact O-N 2.67Å; H260-F262 VanDerWaalsContact C-N 3.3Å; H260-F262 PolarHBondContact O-N 3.23Å; H260-G263 PolarHBondContact O-N 2.85Å; H260-M264 PolarHBondContact O-N 3.45Å; H260-D507 IonicContact CE1-OD2 2.67Å; H260-D507 PolarHBondContact CE1-OD2 3.21Å; H260-Q509 WeakPolarHBondContact NE2-CB 3.42Å; H260-Q509 PolarHBondContact NE2-O 3.46Å; H260-S510 WeakPolarHBondContact NE2-CA 3.22Å; H260-S510 WeakPolarHBondContact NE2-CB 3.32Å; H260-S510 PolarHBondContact NE2-N 2.95Å
261	C	53	Low	54.5	Low	1 Å²	1	59.8 Å²	59.8	1%	0.007	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-38.6	175.1	-71.4	0	0	0	0	112.3	E257 N258 A265 Y295	E257-C261 WeakPolarHBondContact O-CB 3.17Å; E257-C261 PolarHBondContact O-N 2.99Å; E257-C261 PolarHBondContact O-SG 2.84Å; N258-C261 PolarHBondContact O-N 2.62Å; C261-A265 VanDerWaalsContact O-CB 3.3Å; C261-A265 WeakPolarHBondContact O-CB 3.49Å; C261-A265 PolarHBondContact O-N 2.73Å; C261-Y295 HydrophobicContact CB-CD2 4.5Å; C261-Y295 HydrophobicContact CB-CE2 3.94Å
262	F	56.9	Low	55	Low	56 Å²	56	54.9 Å²	54.9	25%	0.246	28%	0.282	C	S	.	.	H	α-helix	trans	-68.7	-39.4	175.6	-171.5	-95.5	0	0	0	112.1	N258 C259 H260 A265 L266 L281 L284	N258-F262 WeakPolarHBondContact O-CB 3.46Å; N258-F262 PolarHBondContact O-N 2.66Å; C259-F262 PolarHBondContact O-N 3.3Å; H260-F262 VanDerWaalsContact C-N 3.3Å; H260-F262 PolarHBondContact O-N 3.23Å; F262-A265 PolarHBondContact O-N 3.5Å; F262-L266 HydrophobicContact CD1-CD1 3.88Å; F262-L266 HydrophobicContact CE1-CD1 3.42Å; F262-L266 VanDerWaalsContact CE1-CD1 3.42Å; F262-L266 HydrophobicContact CE1-CG 4.4Å; F262-L266 HydrophobicContact CZ-CD1 4.09Å; F262-L266 PolarHBondContact O-N 2.66Å; F262-L281 HydrophobicContact CZ-CD2 4.36Å; F262-L284 HydrophobicContact CE2-CB 4.12Å; F262-L284 HydrophobicContact CE2-CD1 4.15Å
263	G	61.2	Low	55.1	Low	31 Å²	31	48.1 Å²	48.1	32%	0.32	26%	0.261	S	S	.	.	H	α-helix	trans	-62.1	-50	174.2	0	0	0	0	0	113.1	C259 H260 A265 L266 N267	C259-G263 PolarHBondContact O-N 2.86Å; H260-G263 PolarHBondContact O-N 2.85Å; G263-A265 PolarHBondContact O-N 3.18Å; G263-L266 PolarHBondContact O-N 3.31Å; G263-N267 PolarHBondContact O-N 3.2Å
264	M	61.3	Low	54.9	Low	8 Å²	8	50.7 Å²	50.7	4%	0.039	27%	0.272	C	S	.	.	H	α-helix	trans	-61.3	-42	174.4	-76.9	-157.2	68.7	0	0	112.2	H260 L266 N267 L268 M302 N504 L505 F514	H260-M264 PolarHBondContact O-N 3.45Å; M264-L266 VanDerWaalsContact C-N 3.28Å; M264-L266 PolarHBondContact O-N 2.7Å; M264-N267 PolarHBondContact O-N 2.76Å; M264-L268 WeakPolarHBondContact O-CB 2.97Å; M264-L268 WeakPolarHBondContact O-CG 3.34Å; M264-L268 PolarHBondContact O-N 3.27Å; M264-M302 HydrophobicContact CB-CE 3.82Å; M264-M302 HydrophobicContact CB-CG 4.41Å; M264-M302 HydrophobicContact CB-SD 3.44Å; M264-M302 WeakPolarHBondContact CB-SD 3.41Å; M264-M302 HydrophobicContact CE-CE 4.33Å; M264-M302 HydrophobicContact CE-SD 4.2Å; M264-M302 HydrophobicContact CG-CE 4.37Å; M264-M302 HydrophobicContact CG-SD 4.45Å; M264-M302 HydrophobicContact SD-CE 3.79Å; M264-M302 HydrophobicContact SD-SD 4.28Å; M264-N504 HydrophobicContact CE-CB 4.37Å; M264-L505 HydrophobicContact CE-CD2 4.3Å; M264-F514 HydrophobicContact CE-CE2 3.76Å; M264-F514 HydrophobicContact CE-CZ 4.18Å; M264-F514 HydrophobicContact SD-CE2 4.04Å
265	A	56.7	Low	54.5	Low	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-56.7	-43.6	174.4	0	0	0	0	0	111	C261 F262 G263 L268 I269 M302	C261-A265 VanDerWaalsContact O-CB 3.3Å; C261-A265 WeakPolarHBondContact O-CB 3.49Å; C261-A265 PolarHBondContact O-N 2.73Å; F262-A265 PolarHBondContact O-N 3.5Å; G263-A265 PolarHBondContact O-N 3.18Å; A265-L268 PolarHBondContact O-N 3.41Å; A265-I269 WeakPolarHBondContact O-CD1 3.42Å; A265-I269 WeakPolarHBondContact O-CG1 3.06Å; A265-I269 PolarHBondContact O-N 2.7Å; A265-M302 HydrophobicContact CB-CG 3.87Å
266	L	59.8	Low	54.5	Low	36 Å²	36	61.7 Å²	61.7	19%	0.188	31%	0.309	C	S	.	.	H	α-helix	trans	-65	-40	177.6	-91.9	166.7	0	0	0	114	F262 G263 M264 I269 K270 L281	F262-L266 HydrophobicContact CD1-CD1 3.88Å; F262-L266 HydrophobicContact CE1-CD1 3.42Å; F262-L266 VanDerWaalsContact CE1-CD1 3.42Å; F262-L266 HydrophobicContact CE1-CG 4.4Å; F262-L266 HydrophobicContact CZ-CD1 4.09Å; F262-L266 PolarHBondContact O-N 2.66Å; G263-L266 PolarHBondContact O-N 3.31Å; M264-L266 VanDerWaalsContact C-N 3.28Å; M264-L266 PolarHBondContact O-N 2.7Å; L266-I269 PolarHBondContact O-N 2.76Å; L266-K270 WeakPolarHBondContact O-CG 3.39Å; L266-K270 PolarHBondContact O-N 3.43Å; L266-K270 VanDerWaalsContact O-N 3.08Å; L266-L281 HydrophobicContact CD2-CD1 4.19Å; L266-L281 HydrophobicContact CD2-CD2 3.9Å; L266-L281 HydrophobicContact CD2-CG 4.08Å
267	N	63.1	Low	54.2	Low	59 Å²	59	57.3 Å²	57.3	32%	0.316	29%	0.289	S	S	.	.	H	α-helix	trans	-64.9	-40.7	175.1	-75.8	-3.4	0	0	0	111.6	G263 M264 K270 L271 F500 N504	G263-N267 PolarHBondContact O-N 3.2Å; M264-N267 PolarHBondContact O-N 2.76Å; N267-K270 PolarHBondContact O-N 3.19Å; N267-L271 PolarHBondContact O-N 2.72Å; N267-F500 HydrophobicContact CB-CE2 4.18Å; N267-F500 HydrophobicContact CB-CZ 4.3Å; N267-N504 PolarHBondContact ND2-OD1 2.81Å
268	L	59.3	Low	53.7	Low	2 Å²	2	57.6 Å²	57.6	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-68.2	-36.7	175.2	-75.7	163.9	0	0	0	113.2	M264 A265 L271 F272 M302 L305 I306 L309 F500	M264-L268 WeakPolarHBondContact O-CB 2.97Å; M264-L268 WeakPolarHBondContact O-CG 3.34Å; M264-L268 PolarHBondContact O-N 3.27Å; A265-L268 PolarHBondContact O-N 3.41Å; L268-L271 PolarHBondContact O-N 3.38Å; L268-F272 HydrophobicContact CD2-CE2 4.13Å; L268-F272 VanDerWaalsContact O-CD2 3.31Å; L268-F272 WeakPolarHBondContact O-CD2 3.17Å; L268-F272 PolarHBondContact O-N 2.98Å; L268-M302 HydrophobicContact CD1-CG 4.41Å; L268-M302 HydrophobicContact CD1-SD 3.54Å; L268-M302 VanDerWaalsContact CD1-SD 3.54Å; L268-L305 HydrophobicContact CB-CB 3.74Å; L268-L305 HydrophobicContact CB-CD1 3.83Å; L268-L305 HydrophobicContact CB-CG 4.35Å; L268-L305 HydrophobicContact CD1-CB 4.13Å; L268-L305 HydrophobicContact CD2-CB 4.35Å; L268-L305 HydrophobicContact CG-CB 4.31Å; L268-I306 HydrophobicContact CD1-CD1 4.5Å; L268-I306 HydrophobicContact CD1-CG1 3.79Å; L268-L309 HydrophobicContact CD2-CD2 4.19Å; L268-F500 HydrophobicContact CD2-CE1 3.67Å; L268-F500 HydrophobicContact CD2-CZ 3.8Å; L268-F500 HydrophobicContact CG-CE1 4.36Å; L268-F500 HydrophobicContact CG-CZ 4.07Å
269	I	57.1	Low	53.4	Low	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.8	-41.4	174.1	-66.6	158.4	0	0	0	110.2	A265 L266 L271 F272 C273 M277 I280 L284 L301 L305	A265-I269 WeakPolarHBondContact O-CD1 3.42Å; A265-I269 WeakPolarHBondContact O-CG1 3.06Å; A265-I269 PolarHBondContact O-N 2.7Å; L266-I269 PolarHBondContact O-N 2.76Å; I269-L271 PolarHBondContact O-N 3.02Å; I269-F272 PolarHBondContact O-N 3.09Å; I269-C273 HydrophobicContact CG2-CB 4.03Å; I269-C273 WeakPolarHBondContact O-CA 3.44Å; I269-C273 VanDerWaalsContact O-CB 3.27Å; I269-C273 WeakPolarHBondContact O-CB 3.24Å; I269-C273 PolarHBondContact O-N 3.08Å; I269-M277 HydrophobicContact CG2-CB 4.33Å; I269-M277 HydrophobicContact CG2-CG 3.87Å; I269-I280 HydrophobicContact CD1-CG2 3.6Å; I269-I280 HydrophobicContact CG1-CG2 4.02Å; I269-I280 HydrophobicContact CG2-CB 4.48Å; I269-I280 HydrophobicContact CG2-CD1 4.15Å; I269-I280 HydrophobicContact CG2-CG2 4.49Å; I269-L284 HydrophobicContact CD1-CD1 4.16Å; I269-L301 HydrophobicContact CD1-CD2 3.83Å; I269-L301 HydrophobicContact CG1-CD2 4.24Å; I269-L305 HydrophobicContact CG1-CD1 3.69Å
270	K	60.2	Low	52.9	Low	101 Å²	101	57.3 Å²	57.3	44%	0.439	29%	0.292	S	S	.	.	H	α-helix	trans	-57.8	-48.3	175.2	-70.4	166.6	-173.9	167.6	0	111.2	L266 N267 F272 M277	L266-K270 WeakPolarHBondContact O-CG 3.39Å; L266-K270 PolarHBondContact O-N 3.43Å; L266-K270 VanDerWaalsContact O-N 3.08Å; N267-K270 PolarHBondContact O-N 3.19Å; K270-F272 VanDerWaalsContact C-N 3.26Å; K270-F272 PolarHBondContact O-N 3.18Å; K270-M277 HydrophobicContact CB-CE 4.49Å; K270-M277 HydrophobicContact CG-CE 3.79Å; K270-M277 HydrophobicContact CG-SD 4.13Å
271	L	60.3	Low	52.4	Low	63 Å²	63	56.9 Å²	56.9	33%	0.33	29%	0.291	S	S	.	.	H	α-helix	trans	-60.7	-30.6	-175.5	-162.9	71.2	0	0	0	114	N267 L268 I269 L309 L497 F500	N267-L271 PolarHBondContact O-N 2.72Å; L268-L271 PolarHBondContact O-N 3.38Å; I269-L271 PolarHBondContact O-N 3.02Å; L271-L309 HydrophobicContact CD2-CD1 3.88Å; L271-L497 HydrophobicContact CD2-CD2 4.49Å; L271-F500 HydrophobicContact CB-CE2 4.2Å; L271-F500 HydrophobicContact CB-CZ 4.45Å; L271-F500 HydrophobicContact CD1-CD2 3.93Å; L271-F500 HydrophobicContact CD1-CE2 4.4Å; L271-F500 HydrophobicContact CD1-CG 4.23Å; L271-F500 HydrophobicContact CD2-CB 4.4Å; L271-F500 HydrophobicContact CD2-CD1 3.63Å; L271-F500 HydrophobicContact CD2-CD2 3.9Å; L271-F500 HydrophobicContact CD2-CE1 3.81Å; L271-F500 HydrophobicContact CD2-CE2 4.04Å; L271-F500 HydrophobicContact CD2-CG 3.68Å; L271-F500 HydrophobicContact CD2-CZ 4.01Å; L271-F500 HydrophobicContact CG-CD2 4.36Å; L271-F500 HydrophobicContact CG-CE2 4.46Å
272	F	53.9	Low	52.2	Low	27 Å²	27	61 Å²	61	12%	0.118	31%	0.313	C	S	.	.	H	α-helix	trans	-116.8	-14.7	-174.1	-57.9	-52.9	0	0	0	115.9	L268 I269 K270 L305 L309 T312 I462	L268-F272 HydrophobicContact CD2-CE2 4.13Å; L268-F272 VanDerWaalsContact O-CD2 3.31Å; L268-F272 WeakPolarHBondContact O-CD2 3.17Å; L268-F272 PolarHBondContact O-N 2.98Å; I269-F272 PolarHBondContact O-N 3.09Å; K270-F272 VanDerWaalsContact C-N 3.26Å; K270-F272 PolarHBondContact O-N 3.18Å; F272-L305 HydrophobicContact CD2-CB 4.48Å; F272-L305 HydrophobicContact CD2-CD2 4.02Å; F272-L305 WeakPolarHBondContact CE2-O 3.26Å; F272-L309 HydrophobicContact CE2-CB 3.94Å; F272-L309 VanDerWaalsContact CZ-CA 3.47Å; F272-L309 HydrophobicContact CZ-CB 3.66Å; F272-L309 HydrophobicContact CZ-CD1 3.82Å; F272-L309 HydrophobicContact CZ-CG 4.35Å; F272-T312 HydrophobicContact CE1-CG2 4.49Å; F272-I462 HydrophobicContact CB-CD1 3.95Å; F272-I462 HydrophobicContact CD1-CD1 3.6Å; F272-I462 HydrophobicContact CG-CD1 4.16Å
273	C	50.9	Low	51.8	Low	32 Å²	32	64.4 Å²	64.4	22%	0.216	33%	0.329	C	S	.	.	H	α-helix	trans	-138.9	33.7	-163.5	-77.8	0	0	0	0	114.4	I269 R275 N276 M277 I280	I269-C273 HydrophobicContact CG2-CB 4.03Å; I269-C273 WeakPolarHBondContact O-CA 3.44Å; I269-C273 VanDerWaalsContact O-CB 3.27Å; I269-C273 WeakPolarHBondContact O-CB 3.24Å; I269-C273 PolarHBondContact O-N 3.08Å; C273-R275 PolarHBondContact O-N 3.14Å; C273-N276 CarbonylContact O-C 3.58Å; C273-N276 PolarHBondContact O-N 2.94Å; C273-M277 PolarHBondContact O-N 2.96Å; C273-I280 HydrophobicContact CB-CD1 3.88Å
274	D	47	Very low	51.2	Low	130 Å²	130	63.2 Å²	63.2	70%	0.695	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.3	-43.1	173.4	-84.1	-34	0	0	0	114.4
275	R	35.9	Very low	50.5	Low	245 Å²	245	68.7 Å²	68.7	93%	0.925	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-15	-177.3	-68.2	-173.5	175.7	-169.9	-2.4	115.5	C273	C273-R275 PolarHBondContact O-N 3.14Å
276	N	44.7	Very low	49.8	Very low	99 Å²	99	75.8 Å²	75.8	53%	0.529	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	8.6	-174.7	-87.9	-12.2	0	0	0	113.8	C273 V278 T279 I280	C273-N276 CarbonylContact O-C 3.58Å; C273-N276 PolarHBondContact O-N 2.94Å; N276-V278 VanDerWaalsContact C-N 3.25Å; N276-V278 PolarHBondContact O-N 2.72Å; N276-V278 VanDerWaalsContact O-N 3.16Å; N276-T279 PolarHBondContact O-N 3.46Å; N276-T279 VanDerWaalsContact O-N 3.1Å; N276-I280 PolarHBondContact O-N 3.19Å
277	M	42.6	Very low	49	Very low	50 Å²	50	75.1 Å²	75.1	25%	0.246	37%	0.374	C	S	.	.	H	α-helix	trans	-51.7	-41.5	-174.7	-164.7	-170.5	-49.1	0	0	113.1	I269 K270 C273 I280 L281	I269-M277 HydrophobicContact CG2-CB 4.33Å; I269-M277 HydrophobicContact CG2-CG 3.87Å; K270-M277 HydrophobicContact CB-CE 4.49Å; K270-M277 HydrophobicContact CG-CE 3.79Å; K270-M277 HydrophobicContact CG-SD 4.13Å; C273-M277 PolarHBondContact O-N 2.96Å; M277-I280 PolarHBondContact O-N 2.81Å; M277-L281 HydrophobicContact CG-CD1 4.26Å; M277-L281 WeakPolarHBondContact O-CB 3.16Å; M277-L281 PolarHBondContact O-N 2.81Å
278	V	39.1	Very low	47.9	Very low	104 Å²	104	81.1 Å²	81.1	63%	0.63	40%	0.398	S	S	*	.	H	α-helix	trans	-62.9	-47.8	178.9	-177.2	0	0	0	0	111.8	N276 I280 L281 D282	N276-V278 VanDerWaalsContact C-N 3.25Å; N276-V278 PolarHBondContact O-N 2.72Å; N276-V278 VanDerWaalsContact O-N 3.16Å; V278-I280 VanDerWaalsContact C-N 3.26Å; V278-I280 PolarHBondContact O-N 3.3Å; V278-L281 WeakPolarHBondContact O-CB 3.44Å; V278-L281 PolarHBondContact O-N 2.77Å; V278-D282 PolarHBondContact O-N 2.68Å
279	T	44.4	Very low	47	Very low	75 Å²	75	88.5 Å²	88.5	46%	0.46	44%	0.437	S	S	.	.	H	α-helix	trans	-65.9	-30.9	-176.8	-38.6	0	0	0	0	112.4	N276 Q283	N276-T279 PolarHBondContact O-N 3.46Å; N276-T279 VanDerWaalsContact O-N 3.1Å; T279-Q283 WeakPolarHBondContact O-CG 3.12Å; T279-Q283 PolarHBondContact O-N 2.74Å
280	I	46.1	Very low	46.4	Very low	32 Å²	32	95.8 Å²	95.8	16%	0.164	47%	0.469	C	S	.	.	H	α-helix	trans	-77.3	-40	175.8	-60.1	171.4	0	0	0	110.4	I269 C273 N276 M277 V278 Q283 L284 L301	I269-I280 HydrophobicContact CD1-CG2 3.6Å; I269-I280 HydrophobicContact CG1-CG2 4.02Å; I269-I280 HydrophobicContact CG2-CB 4.48Å; I269-I280 HydrophobicContact CG2-CD1 4.15Å; I269-I280 HydrophobicContact CG2-CG2 4.49Å; C273-I280 HydrophobicContact CB-CD1 3.88Å; N276-I280 PolarHBondContact O-N 3.19Å; M277-I280 PolarHBondContact O-N 2.81Å; V278-I280 VanDerWaalsContact C-N 3.26Å; V278-I280 PolarHBondContact O-N 3.3Å; I280-Q283 PolarHBondContact O-N 2.78Å; I280-L284 HydrophobicContact CG2-CD1 4.47Å; I280-L284 WeakPolarHBondContact O-CG 3.48Å; I280-L284 PolarHBondContact O-N 2.72Å; I280-L301 HydrophobicContact CG2-CD2 3.59Å
281	L	47.6	Very low	45.7	Very low	44 Å²	44	98.4 Å²	98.4	23%	0.23	48%	0.476	C	S	.	.	H	α-helix	trans	-58.1	-46	171.8	-93.9	163.5	0	0	0	112.3	F262 L266 M277 V278 Q283 L284 Q285	F262-L281 HydrophobicContact CZ-CD2 4.36Å; L266-L281 HydrophobicContact CD2-CD1 4.19Å; L266-L281 HydrophobicContact CD2-CD2 3.9Å; L266-L281 HydrophobicContact CD2-CG 4.08Å; M277-L281 HydrophobicContact CG-CD1 4.26Å; M277-L281 WeakPolarHBondContact O-CB 3.16Å; M277-L281 PolarHBondContact O-N 2.81Å; V278-L281 WeakPolarHBondContact O-CB 3.44Å; V278-L281 PolarHBondContact O-N 2.77Å; L281-Q283 PolarHBondContact O-N 2.75Å; L281-L284 PolarHBondContact O-N 3.09Å; L281-Q285 PolarHBondContact O-N 2.74Å
282	D	48.1	Very low	44.9	Very low	86 Å²	86	100.7 Å²	100.7	46%	0.46	49%	0.488	S	S	.	.	H	α-helix	trans	-58.4	-45.6	175.2	-80.1	-28.4	0	0	0	111.5	V278 L284 Q285 M286	V278-D282 PolarHBondContact O-N 2.68Å; D282-L284 PolarHBondContact O-N 2.73Å; D282-Q285 PolarHBondContact O-N 2.67Å; D282-M286 VanDerWaalsContact O-CB 3.23Å; D282-M286 WeakPolarHBondContact O-CB 3.1Å; D282-M286 WeakPolarHBondContact O-CG 3.49Å; D282-M286 PolarHBondContact O-N 2.72Å
283	Q	48.7	Very low	44.8	Very low	128 Å²	128	102 Å²	102	60%	0.598	50%	0.499	S	S	*	.	H	α-helix	trans	-63.8	-24.9	179	-74.2	-176.2	15.3	0	0	114	T279 I280 L281 R297	T279-Q283 WeakPolarHBondContact O-CG 3.12Å; T279-Q283 PolarHBondContact O-N 2.74Å; I280-Q283 PolarHBondContact O-N 2.78Å; L281-Q283 PolarHBondContact O-N 2.75Å; Q283-R297 PolarHBondContact O-NH1 2.82Å
284	L	48.4	Very low	44.8	Very low	6 Å²	6	101.9 Å²	101.9	3%	0.031	50%	0.497	C	S	.	.	H	α-helix	trans	-82.6	-40.5	172.9	-67	168.8	0	0	0	112.3	F262 I269 I280 L281 D282 R297 L301	F262-L284 HydrophobicContact CE2-CB 4.12Å; F262-L284 HydrophobicContact CE2-CD1 4.15Å; I269-L284 HydrophobicContact CD1-CD1 4.16Å; I280-L284 HydrophobicContact CG2-CD1 4.47Å; I280-L284 WeakPolarHBondContact O-CG 3.48Å; I280-L284 PolarHBondContact O-N 2.72Å; L281-L284 PolarHBondContact O-N 3.09Å; D282-L284 PolarHBondContact O-N 2.73Å; L284-R297 HydrophobicContact CD2-CB 4.21Å; L284-L301 HydrophobicContact CD1-CD2 3.93Å; L284-L301 HydrophobicContact CD2-CD2 4.21Å; L284-L301 HydrophobicContact CG-CD2 4.36Å
285	Q	47.7	Very low	45	Very low	123 Å²	123	97.7 Å²	97.7	58%	0.575	47%	0.471	S	S	*	.	H	α-helix	trans	-81.8	-19.1	-178.2	-71.1	-169.5	-19.9	0	0	114.6	L281 D282 S287	L281-Q285 PolarHBondContact O-N 2.74Å; D282-Q285 PolarHBondContact O-N 2.67Å; Q285-S287 VanDerWaalsContact C-N 3.26Å; Q285-S287 PolarHBondContact O-N 2.72Å
286	M	41.5	Very low	45.8	Very low	149 Å²	149	90 Å²	90	73%	0.734	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.4	-176	-89.8	-76.9	-71.5	0	0	115.1	D282 K288	D282-M286 VanDerWaalsContact O-CB 3.23Å; D282-M286 WeakPolarHBondContact O-CB 3.1Å; D282-M286 WeakPolarHBondContact O-CG 3.49Å; D282-M286 PolarHBondContact O-N 2.72Å; M286-K288 PolarHBondContact O-N 2.75Å
287	S	42.1	Very low	46.4	Very low	22 Å²	22	91 Å²	91	15%	0.154	45%	0.445	C	S	.	.			trans	-93.5	70.7	-179.5	52.5	0	0	0	0	112.9	Q285 D289 V294	Q285-S287 VanDerWaalsContact C-N 3.26Å; Q285-S287 PolarHBondContact O-N 2.72Å; S287-D289 VanDerWaalsContact C-N 3.29Å; S287-D289 PolarHBondContact O-N 3.05Å; S287-V294 WeakPolarHBondContact OG-CG2 3.47Å
288	K	39.8	Very low	46.9	Very low	185 Å²	185	88.6 Å²	88.6	80%	0.804	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-29.5	178.5	-72.2	-175.3	175.4	178.4	0	114.6	M286	M286-K288 PolarHBondContact O-N 2.75Å
289	D	40.1	Very low	47.6	Very low	158 Å²	158	86.1 Å²	86.1	85%	0.845	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-11.4	-163.8	-56.7	-40	0	0	0	115.5	S287	S287-D289 VanDerWaalsContact C-N 3.29Å; S287-D289 PolarHBondContact O-N 3.05Å
290	K	46.4	Very low	48.1	Very low	152 Å²	152	87.6 Å²	87.6	66%	0.661	42%	0.418	S	S	*	.			trans	-145.6	109.2	179.2	-74.6	-172.1	-177.7	178.6	0	112	L292 T293	K290-L292 PolarHBondContact O-N 2.81Å; K290-T293 WeakPolarHBondContact CB-OG1 3.32Å; K290-T293 PolarHBondContact O-N 2.84Å; K290-T293 PolarHBondContact O-OG1 2.93Å
291	W	45.1	Very low	48.6	Very low	156 Å²	156	88 Å²	88	59%	0.591	42%	0.421	S	S	*	.	H	α-helix	trans	-60.8	-41.8	-175.7	-132.2	55.6	0	0	0	113.7	A255 N258 T293 V294 Y295	A255-W291 HydrophobicContact CB-CH2 3.49Å; A255-W291 VanDerWaalsContact CB-CH2 3.49Å; A255-W291 HydrophobicContact CB-CZ3 3.72Å; N258-W291 HydrophobicContact CB-CH2 4.2Å; N258-W291 HydrophobicContact CB-CZ3 4.25Å; W291-T293 VanDerWaalsContact C-N 3.27Å; W291-T293 PolarHBondContact O-N 3.3Å; W291-V294 WeakPolarHBondContact O-CB 3.31Å; W291-V294 PolarHBondContact O-N 3.46Å; W291-Y295 PolarHBondContact O-N 3.46Å
292	L	42.7	Very low	49.1	Very low	112 Å²	112	86 Å²	86	59%	0.586	41%	0.411	S	S	*	.	H	α-helix	trans	-53.8	-42	175	-98.2	71.7	0	0	0	112.6	K290 V294 Y295 D296	K290-L292 PolarHBondContact O-N 2.81Å; L292-V294 PolarHBondContact O-N 3.37Å; L292-Y295 WeakPolarHBondContact O-CA 3.37Å; L292-Y295 WeakPolarHBondContact O-CB 3.4Å; L292-Y295 PolarHBondContact O-N 3.35Å; L292-D296 PolarHBondContact O-N 3.45Å
293	T	52.6	Low	49.5	Very low	55 Å²	55	88.2 Å²	88.2	34%	0.337	41%	0.412	S	S	.	.	H	α-helix	trans	-66.9	-21	179	13	0	0	0	0	114	K290 W291 R297	K290-T293 WeakPolarHBondContact CB-OG1 3.32Å; K290-T293 PolarHBondContact O-N 2.84Å; K290-T293 PolarHBondContact O-OG1 2.93Å; W291-T293 VanDerWaalsContact C-N 3.27Å; W291-T293 PolarHBondContact O-N 3.3Å; T293-R297 WeakPolarHBondContact O-CB 3.36Å; T293-R297 VanDerWaalsContact O-CD 3.31Å; T293-R297 WeakPolarHBondContact O-CD 3.28Å; T293-R297 WeakPolarHBondContact O-CG 3.08Å; T293-R297 PolarHBondContact O-N 3.36Å
294	V	50.4	Low	49.9	Very low	28 Å²	28	89.3 Å²	89.3	17%	0.17	42%	0.415	C	S	.	.	H	α-helix	trans	-72.7	-48.7	168.2	-177.4	0	0	0	0	108.8	S287 W291 L292 R297 S298	S287-V294 WeakPolarHBondContact OG-CG2 3.47Å; W291-V294 WeakPolarHBondContact O-CB 3.31Å; W291-V294 PolarHBondContact O-N 3.46Å; L292-V294 PolarHBondContact O-N 3.37Å; V294-R297 PolarHBondContact O-N 3.44Å; V294-S298 WeakPolarHBondContact O-CB 3.28Å; V294-S298 PolarHBondContact O-N 3.35Å; V294-S298 PolarHBondContact O-OG 3.1Å; V294-S298 VanDerWaalsContact O-OG 3.08Å
295	Y	50.1	Low	50.4	Low	42 Å²	42	89.4 Å²	89.4	17%	0.165	42%	0.415	C	S	.	.	H	α-helix	trans	-57.2	-53.4	178.4	-167.1	-127.8	0	0	0	112.9	N258 C261 W291 L292 R297 S298 F299	N258-Y295 HydrophobicContact CB-CD2 4.18Å; N258-Y295 VanDerWaalsContact ND2-CD2 3.3Å; N258-Y295 WeakPolarHBondContact ND2-CD2 3.32Å; N258-Y295 VanDerWaalsContact OD1-CB 3.27Å; N258-Y295 WeakPolarHBondContact OD1-CB 3.35Å; N258-Y295 VanDerWaalsContact OD1-CD2 3.32Å; N258-Y295 WeakPolarHBondContact OD1-CD2 3.28Å; C261-Y295 HydrophobicContact CB-CD2 4.5Å; C261-Y295 HydrophobicContact CB-CE2 3.94Å; W291-Y295 PolarHBondContact O-N 3.46Å; L292-Y295 WeakPolarHBondContact O-CA 3.37Å; L292-Y295 WeakPolarHBondContact O-CB 3.4Å; L292-Y295 PolarHBondContact O-N 3.35Å; Y295-R297 VanDerWaalsContact C-N 3.26Å; Y295-R297 PolarHBondContact O-N 2.83Å; Y295-S298 PolarHBondContact O-N 3.48Å; Y295-S298 VanDerWaalsContact O-N 3.14Å; Y295-F299 WeakPolarHBondContact O-CB 3.39Å; Y295-F299 PolarHBondContact O-N 2.84Å
296	D	53.7	Low	50.9	Low	84 Å²	84	84.1 Å²	84.1	45%	0.449	39%	0.391	S	S	.	.	H	α-helix	trans	-59.1	-39.6	-177.8	-66.3	-34.7	0	0	0	111.4	L292 L300	L292-D296 PolarHBondContact O-N 3.45Å; D296-L300 VanDerWaalsContact O-CB 3.27Å; D296-L300 WeakPolarHBondContact O-CB 3.2Å; D296-L300 WeakPolarHBondContact O-CD1 3.47Å; D296-L300 VanDerWaalsContact O-CG 3.25Å; D296-L300 WeakPolarHBondContact O-CG 3.09Å; D296-L300 PolarHBondContact O-N 3.37Å
297	R	56.7	Low	51.8	Low	120 Å²	120	80.1 Å²	80.1	45%	0.453	38%	0.375	S	S	.	.	H	α-helix	trans	-68.6	-47.6	175	-75.2	177.4	178.3	-164.3	1.8	111.8	Q283 L284 T293 V294 Y295 F299 L300 L301	Q283-R297 PolarHBondContact O-NH1 2.82Å; L284-R297 HydrophobicContact CD2-CB 4.21Å; T293-R297 WeakPolarHBondContact O-CB 3.36Å; T293-R297 VanDerWaalsContact O-CD 3.31Å; T293-R297 WeakPolarHBondContact O-CD 3.28Å; T293-R297 WeakPolarHBondContact O-CG 3.08Å; T293-R297 PolarHBondContact O-N 3.36Å; V294-R297 PolarHBondContact O-N 3.44Å; Y295-R297 VanDerWaalsContact C-N 3.26Å; Y295-R297 PolarHBondContact O-N 2.83Å; R297-F299 VanDerWaalsContact C-N 3.32Å; R297-F299 PolarHBondContact O-N 3.46Å; R297-L300 PolarHBondContact O-N 2.96Å; R297-L301 VanDerWaalsContact O-CB 3.22Å; R297-L301 WeakPolarHBondContact O-CB 3.47Å; R297-L301 PolarHBondContact O-N 3.42Å
298	S	52.9	Low	52.6	Low	0 Å²	0	81.2 Å²	81.2	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-58.3	-44.4	177.1	-69.7	0	0	0	0	111.3	V294 Y295 L301 M302	V294-S298 WeakPolarHBondContact O-CB 3.28Å; V294-S298 PolarHBondContact O-N 3.35Å; V294-S298 PolarHBondContact O-OG 3.1Å; V294-S298 VanDerWaalsContact O-OG 3.08Å; Y295-S298 PolarHBondContact O-N 3.48Å; Y295-S298 VanDerWaalsContact O-N 3.14Å; S298-L301 PolarHBondContact O-N 2.88Å; S298-M302 VanDerWaalsContact O-CB 3.3Å; S298-M302 WeakPolarHBondContact O-CB 3.09Å; S298-M302 PolarHBondContact O-N 2.96Å
299	F	53.9	Low	53.7	Low	51 Å²	51	72.5 Å²	72.5	22%	0.224	34%	0.34	C	S	.	.	H	α-helix	trans	-67.7	-45.2	178.4	-173.3	-95.9	0	0	0	112.6	Y295 R297 L301 M302 R303 W516	Y295-F299 WeakPolarHBondContact O-CB 3.39Å; Y295-F299 PolarHBondContact O-N 2.84Å; R297-F299 VanDerWaalsContact C-N 3.32Å; R297-F299 PolarHBondContact O-N 3.46Å; F299-L301 VanDerWaalsContact C-N 3.29Å; F299-L301 PolarHBondContact O-N 3.04Å; F299-M302 WeakPolarHBondContact O-CB 3.39Å; F299-M302 PolarHBondContact O-N 3.14Å; F299-R303 PolarHBondContact O-N 3.31Å; F299-W516 HydrophobicContact CE1-CZ3 4.46Å; F299-W516 HydrophobicContact CZ-CE3 4.35Å; F299-W516 HydrophobicContact CZ-CH2 4.43Å; F299-W516 AromaticContact CZ-CZ3 3.8Å; F299-W516 HydrophobicContact CZ-CZ3 3.8Å
300	L	56.2	Low	54.8	Low	106 Å²	106	67.9 Å²	67.9	56%	0.555	31%	0.312	S	S	*	.	H	α-helix	trans	-62.5	-36.5	174.4	-79.4	167.9	0	0	0	112.4	D296 R297 K304	D296-L300 VanDerWaalsContact O-CB 3.27Å; D296-L300 WeakPolarHBondContact O-CB 3.2Å; D296-L300 WeakPolarHBondContact O-CD1 3.47Å; D296-L300 VanDerWaalsContact O-CG 3.25Å; D296-L300 WeakPolarHBondContact O-CG 3.09Å; D296-L300 PolarHBondContact O-N 3.37Å; R297-L300 PolarHBondContact O-N 2.96Å; L300-K304 WeakPolarHBondContact O-CG 3.49Å; L300-K304 PolarHBondContact O-N 3.33Å; L300-K304 VanDerWaalsContact O-N 3.15Å
301	L	56.8	Low	55.4	Low	41 Å²	41	65 Å²	65	22%	0.215	30%	0.301	C	S	.	.	H	α-helix	trans	-71.2	-46.2	176.2	-168.2	74.3	0	0	0	111.2	I269 I280 L284 R297 S298 F299 R303 K304 L305	I269-L301 HydrophobicContact CD1-CD2 3.83Å; I269-L301 HydrophobicContact CG1-CD2 4.24Å; I280-L301 HydrophobicContact CG2-CD2 3.59Å; L284-L301 HydrophobicContact CD1-CD2 3.93Å; L284-L301 HydrophobicContact CD2-CD2 4.21Å; L284-L301 HydrophobicContact CG-CD2 4.36Å; R297-L301 VanDerWaalsContact O-CB 3.22Å; R297-L301 WeakPolarHBondContact O-CB 3.47Å; R297-L301 PolarHBondContact O-N 3.42Å; S298-L301 PolarHBondContact O-N 2.88Å; F299-L301 VanDerWaalsContact C-N 3.29Å; F299-L301 PolarHBondContact O-N 3.04Å; L301-R303 VanDerWaalsContact C-N 3.31Å; L301-R303 PolarHBondContact O-N 3.41Å; L301-K304 WeakPolarHBondContact O-CB 3.4Å; L301-K304 PolarHBondContact O-N 3.29Å; L301-K304 VanDerWaalsContact O-N 3.17Å; L301-L305 HydrophobicContact CD2-CD1 4.36Å; L301-L305 HydrophobicContact CG-CD1 3.9Å; L301-L305 WeakPolarHBondContact O-CG 3.22Å; L301-L305 PolarHBondContact O-N 2.91Å
302	M	56.9	Low	56.2	Low	3 Å²	3	57.8 Å²	57.8	2%	0.015	28%	0.275	C	S	.	.	H	α-helix	trans	-48.6	-52.2	169	-108.3	-91.2	-85.2	0	0	110.9	M264 A265 L268 S298 F299 K304 L305 I306 I513	M264-M302 HydrophobicContact CB-CE 3.82Å; M264-M302 HydrophobicContact CB-CG 4.41Å; M264-M302 HydrophobicContact CB-SD 3.44Å; M264-M302 WeakPolarHBondContact CB-SD 3.41Å; M264-M302 HydrophobicContact CE-CE 4.33Å; M264-M302 HydrophobicContact CE-SD 4.2Å; M264-M302 HydrophobicContact CG-CE 4.37Å; M264-M302 HydrophobicContact CG-SD 4.45Å; M264-M302 HydrophobicContact SD-CE 3.79Å; M264-M302 HydrophobicContact SD-SD 4.28Å; A265-M302 HydrophobicContact CB-CG 3.87Å; L268-M302 HydrophobicContact CD1-CG 4.41Å; L268-M302 HydrophobicContact CD1-SD 3.54Å; L268-M302 VanDerWaalsContact CD1-SD 3.54Å; S298-M302 VanDerWaalsContact O-CB 3.3Å; S298-M302 WeakPolarHBondContact O-CB 3.09Å; S298-M302 PolarHBondContact O-N 2.96Å; F299-M302 WeakPolarHBondContact O-CB 3.39Å; F299-M302 PolarHBondContact O-N 3.14Å; M302-K304 VanDerWaalsContact C-N 3.33Å; M302-K304 PolarHBondContact O-N 3.19Å; M302-L305 PolarHBondContact O-N 2.92Å; M302-I306 HydrophobicContact CE-CD1 4.03Å; M302-I306 WeakPolarHBondContact O-CB 3.42Å; M302-I306 VanDerWaalsContact O-CG1 3.27Å; M302-I306 WeakPolarHBondContact O-CG1 3.4Å; M302-I306 PolarHBondContact O-N 3.26Å; M302-I306 HydrophobicContact SD-CD1 3.74Å; M302-I306 HydrophobicContact SD-CG1 4.35Å; M302-I513 HydrophobicContact CE-CD1 4.44Å; M302-I513 HydrophobicContact CE-CG2 4.29Å
303	R	57.1	Low	57.3	Low	131 Å²	131	52.7 Å²	52.7	49%	0.494	25%	0.248	S	C	.	.	H	α-helix	trans	-62.1	-39.3	-178.4	-151.5	-171.9	86.7	168	6.7	112.4	F299 L301 T307	F299-R303 PolarHBondContact O-N 3.31Å; L301-R303 VanDerWaalsContact C-N 3.31Å; L301-R303 PolarHBondContact O-N 3.41Å; R303-T307 PolarHBondContact O-N 2.95Å; R303-T307 VanDerWaalsContact O-N 3.07Å; R303-T307 PolarHBondContact O-OG1 3.02Å
304	K	57.3	Low	57.8	Low	151 Å²	151	52.6 Å²	52.6	66%	0.657	25%	0.253	S	S	*	.	H	α-helix	trans	-63.2	-47.7	173.7	-77.3	-179.5	176	-176.9	0	111.9	L300 L301 M302 T307 Q308	L300-K304 WeakPolarHBondContact O-CG 3.49Å; L300-K304 PolarHBondContact O-N 3.33Å; L300-K304 VanDerWaalsContact O-N 3.15Å; L301-K304 WeakPolarHBondContact O-CB 3.4Å; L301-K304 PolarHBondContact O-N 3.29Å; L301-K304 VanDerWaalsContact O-N 3.17Å; M302-K304 VanDerWaalsContact C-N 3.33Å; M302-K304 PolarHBondContact O-N 3.19Å; K304-T307 WeakPolarHBondContact O-CB 3.45Å; K304-T307 PolarHBondContact O-N 2.85Å; K304-Q308 PolarHBondContact O-N 3.25Å
305	L	58.1	Low	58.3	Low	8 Å²	8	52.8 Å²	52.8	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-71	-33.3	-176.9	-62.5	161.4	0	0	0	112.3	L268 I269 F272 L301 M302 Q308 L309	L268-L305 HydrophobicContact CB-CB 3.74Å; L268-L305 HydrophobicContact CB-CD1 3.83Å; L268-L305 HydrophobicContact CB-CG 4.35Å; L268-L305 HydrophobicContact CD1-CB 4.13Å; L268-L305 HydrophobicContact CD2-CB 4.35Å; L268-L305 HydrophobicContact CG-CB 4.31Å; I269-L305 HydrophobicContact CG1-CD1 3.69Å; F272-L305 HydrophobicContact CD2-CB 4.48Å; F272-L305 HydrophobicContact CD2-CD2 4.02Å; F272-L305 WeakPolarHBondContact CE2-O 3.26Å; L301-L305 HydrophobicContact CD2-CD1 4.36Å; L301-L305 HydrophobicContact CG-CD1 3.9Å; L301-L305 WeakPolarHBondContact O-CG 3.22Å; L301-L305 PolarHBondContact O-N 2.91Å; M302-L305 PolarHBondContact O-N 2.92Å; L305-Q308 PolarHBondContact O-N 3.41Å; L305-L309 WeakPolarHBondContact O-CB 3.36Å; L305-L309 PolarHBondContact O-N 3.21Å
306	I	58.8	Low	59.1	Low	13 Å²	13	50.8 Å²	50.8	7%	0.067	25%	0.249	C	C	.	.	H	α-helix	trans	-63.2	-43.3	169.4	-69.7	163.8	0	0	0	110.4	L268 M302 Q308 L309 F310 F514 L517	L268-I306 HydrophobicContact CD1-CD1 4.5Å; L268-I306 HydrophobicContact CD1-CG1 3.79Å; M302-I306 HydrophobicContact CE-CD1 4.03Å; M302-I306 WeakPolarHBondContact O-CB 3.42Å; M302-I306 VanDerWaalsContact O-CG1 3.27Å; M302-I306 WeakPolarHBondContact O-CG1 3.4Å; M302-I306 PolarHBondContact O-N 3.26Å; M302-I306 HydrophobicContact SD-CD1 3.74Å; M302-I306 HydrophobicContact SD-CG1 4.35Å; I306-Q308 VanDerWaalsContact C-N 3.34Å; I306-Q308 PolarHBondContact O-N 3.28Å; I306-L309 WeakPolarHBondContact O-CB 3.26Å; I306-L309 PolarHBondContact O-N 3.39Å; I306-F310 HydrophobicContact CG2-CD2 3.86Å; I306-F310 HydrophobicContact CG2-CE2 3.72Å; I306-F310 VanDerWaalsContact O-CD2 3.27Å; I306-F310 WeakPolarHBondContact O-CD2 3.5Å; I306-F310 PolarHBondContact O-N 3.29Å; I306-F514 HydrophobicContact CD1-CE1 4.3Å; I306-F514 HydrophobicContact CD1-CE2 4.49Å; I306-F514 HydrophobicContact CD1-CZ 3.64Å; I306-F514 HydrophobicContact CG1-CZ 4.24Å; I306-F514 HydrophobicContact CG2-CE1 4.41Å; I306-L517 HydrophobicContact CD1-CD1 4.46Å
307	T	59.5	Low	59.7	Low	64 Å²	64	48 Å²	48	39%	0.393	24%	0.237	S	C	.	.	H	α-helix	trans	-59.8	-46	173.1	-58.1	0	0	0	0	111	R303 K304 L309 F310 E311	R303-T307 PolarHBondContact O-N 2.95Å; R303-T307 VanDerWaalsContact O-N 3.07Å; R303-T307 PolarHBondContact O-OG1 3.02Å; K304-T307 WeakPolarHBondContact O-CB 3.45Å; K304-T307 PolarHBondContact O-N 2.85Å; T307-L309 VanDerWaalsContact C-N 3.29Å; T307-L309 PolarHBondContact O-N 3.17Å; T307-F310 PolarHBondContact O-N 2.99Å; T307-E311 HydrophobicContact CG2-CG 4.41Å; T307-E311 WeakPolarHBondContact O-CG 3.47Å; T307-E311 PolarHBondContact O-N 2.74Å
308	Q	59.4	Low	60.1	Low	45 Å²	45	45.1 Å²	45.1	21%	0.21	23%	0.228	C	C	.	.	H	α-helix	trans	-66.1	-28.6	178.5	-162.5	167.4	1.5	0	0	113	K304 L305 I306 T312 N460	K304-Q308 PolarHBondContact O-N 3.25Å; L305-Q308 PolarHBondContact O-N 3.41Å; I306-Q308 VanDerWaalsContact C-N 3.34Å; I306-Q308 PolarHBondContact O-N 3.28Å; Q308-T312 VanDerWaalsContact O-CB 3.24Å; Q308-T312 WeakPolarHBondContact O-CB 3.45Å; Q308-T312 PolarHBondContact O-N 3.01Å; Q308-T312 PolarHBondContact O-OG1 2.92Å; Q308-N460 PolarHBondContact NE2-O 2.8Å
309	L	63.8	Low	60.7	Low	3 Å²	3	45.1 Å²	45.1	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-66	-49.9	169.9	176.6	64.9	0	0	0	111.7	L268 L271 F272 L305 I306 T307 E311 T312 L313 L497 F500 M501	L268-L309 HydrophobicContact CD2-CD2 4.19Å; L271-L309 HydrophobicContact CD2-CD1 3.88Å; F272-L309 HydrophobicContact CE2-CB 3.94Å; F272-L309 VanDerWaalsContact CZ-CA 3.47Å; F272-L309 HydrophobicContact CZ-CB 3.66Å; F272-L309 HydrophobicContact CZ-CD1 3.82Å; F272-L309 HydrophobicContact CZ-CG 4.35Å; L305-L309 WeakPolarHBondContact O-CB 3.36Å; L305-L309 PolarHBondContact O-N 3.21Å; I306-L309 WeakPolarHBondContact O-CB 3.26Å; I306-L309 PolarHBondContact O-N 3.39Å; T307-L309 VanDerWaalsContact C-N 3.29Å; T307-L309 PolarHBondContact O-N 3.17Å; L309-E311 VanDerWaalsContact C-N 3.34Å; L309-E311 PolarHBondContact O-N 3.31Å; L309-T312 PolarHBondContact O-N 3.47Å; L309-L313 VanDerWaalsContact O-CB 3.25Å; L309-L313 WeakPolarHBondContact O-CB 3.18Å; L309-L313 PolarHBondContact O-N 3.49Å; L309-L497 HydrophobicContact CD1-CD2 4.05Å; L309-F500 HydrophobicContact CD1-CD1 4.23Å; L309-F500 HydrophobicContact CD2-CD1 4.11Å; L309-F500 HydrophobicContact CD2-CE1 3.99Å; L309-M501 HydrophobicContact CD1-CG 4.47Å; L309-M501 HydrophobicContact CD2-CG 4Å; L309-M501 HydrophobicContact CG-CG 4.46Å
310	F	61.8	Low	61.4	Low	60 Å²	60	42.7 Å²	42.7	26%	0.263	22%	0.218	S	C	.	.	H	α-helix	trans	-65.8	-35.2	176.6	-76.1	-67.4	0	0	0	112.5	I306 T307 A314 L519 L526	I306-F310 HydrophobicContact CG2-CD2 3.86Å; I306-F310 HydrophobicContact CG2-CE2 3.72Å; I306-F310 VanDerWaalsContact O-CD2 3.27Å; I306-F310 WeakPolarHBondContact O-CD2 3.5Å; I306-F310 PolarHBondContact O-N 3.29Å; T307-F310 PolarHBondContact O-N 2.99Å; F310-A314 VanDerWaalsContact O-CB 3.22Å; F310-A314 WeakPolarHBondContact O-CB 3.47Å; F310-A314 PolarHBondContact O-N 3.32Å; F310-L519 HydrophobicContact CE2-CD1 4.21Å; F310-L519 HydrophobicContact CZ-CD2 4.47Å; F310-L526 HydrophobicContact CE1-CD2 4.07Å
311	E	59.6	Low	62	Low	92 Å²	92	41 Å²	41	43%	0.43	21%	0.208	S	C	.	.	H	α-helix	trans	-66.1	-44.8	172.9	-73.4	174.8	177.1	0	0	112.3	T307 L309 A314 A315	T307-E311 HydrophobicContact CG2-CG 4.41Å; T307-E311 WeakPolarHBondContact O-CG 3.47Å; T307-E311 PolarHBondContact O-N 2.74Å; L309-E311 VanDerWaalsContact C-N 3.34Å; L309-E311 PolarHBondContact O-N 3.31Å; E311-A314 PolarHBondContact O-N 3.01Å; E311-A315 WeakPolarHBondContact O-CB 3.27Å; E311-A315 PolarHBondContact O-N 3.48Å
312	T	62.7	Low	62.6	Low	5 Å²	5	42.7 Å²	42.7	3%	0.031	21%	0.211	C	C	.	.	H	α-helix	trans	-67.3	-40.9	178.1	-55.8	0	0	0	0	111	F272 Q308 L309 A315 C316 I462	F272-T312 HydrophobicContact CE1-CG2 4.49Å; Q308-T312 VanDerWaalsContact O-CB 3.24Å; Q308-T312 WeakPolarHBondContact O-CB 3.45Å; Q308-T312 PolarHBondContact O-N 3.01Å; Q308-T312 PolarHBondContact O-OG1 2.92Å; L309-T312 PolarHBondContact O-N 3.47Å; T312-A315 PolarHBondContact O-N 3.08Å; T312-C316 VanDerWaalsContact O-CB 3.28Å; T312-C316 WeakPolarHBondContact O-CB 3.29Å; T312-C316 PolarHBondContact O-N 3.08Å; T312-I462 HydrophobicContact CG2-CB 4.41Å
313	L	65.7	Low	63.5	Low	5 Å²	5	42.6 Å²	42.6	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-47.2	174	-173.9	80.5	0	0	0	111.3	L309 A315 C316 S317 L497 M501 L526 L530	L309-L313 VanDerWaalsContact O-CB 3.25Å; L309-L313 WeakPolarHBondContact O-CB 3.18Å; L309-L313 PolarHBondContact O-N 3.49Å; L313-A315 VanDerWaalsContact C-N 3.34Å; L313-A315 PolarHBondContact O-N 3.02Å; L313-C316 CarbonylContact O-C 3.47Å; L313-C316 WeakPolarHBondContact O-CB 3.37Å; L313-C316 PolarHBondContact O-N 3.31Å; L313-C316 VanDerWaalsContact O-N 3.17Å; L313-S317 PolarHBondContact O-N 3.48Å; L313-S317 PolarHBondContact O-OG 2.94Å; L313-L497 HydrophobicContact CD1-CB 3.88Å; L313-L497 HydrophobicContact CD1-CD1 4.23Å; L313-M501 HydrophobicContact CD1-CE 3.57Å; L313-M501 HydrophobicContact CD1-SD 4.48Å; L313-M501 HydrophobicContact CD2-CE 3.57Å; L313-M501 HydrophobicContact CD2-SD 3.79Å; L313-M501 HydrophobicContact CG-CE 4.2Å; L313-L526 HydrophobicContact CD2-CD1 3.84Å; L313-L526 HydrophobicContact CD2-CD2 3.73Å; L313-L526 HydrophobicContact CD2-CG 4.16Å; L313-L530 HydrophobicContact CD1-CD2 4.2Å
314	A	62	Low	64.4	Low	53 Å²	53	36.7 Å²	36.7	44%	0.438	19%	0.19	S	C	.	.	H	α-helix	trans	-62.5	-40.8	178.6	0	0	0	0	0	112	F310 E311 C316 S317 E318	F310-A314 VanDerWaalsContact O-CB 3.22Å; F310-A314 WeakPolarHBondContact O-CB 3.47Å; F310-A314 PolarHBondContact O-N 3.32Å; E311-A314 PolarHBondContact O-N 3.01Å; A314-C316 VanDerWaalsContact C-N 3.34Å; A314-S317 PolarHBondContact O-OG 3.32Å; A314-E318 VanDerWaalsContact O-CB 3.27Å; A314-E318 WeakPolarHBondContact O-CB 3.44Å; A314-E318 PolarHBondContact O-N 3.37Å
315	A	61.9	Low	65.1	Low	31 Å²	31	33.6 Å²	33.6	26%	0.256	18%	0.178	S	C	.	.	H	α-helix	trans	-66.2	-35.3	174.4	0	0	0	0	0	112.6	E311 T312 L313 G319	E311-A315 WeakPolarHBondContact O-CB 3.27Å; E311-A315 PolarHBondContact O-N 3.48Å; T312-A315 PolarHBondContact O-N 3.08Å; L313-A315 VanDerWaalsContact C-N 3.34Å; L313-A315 PolarHBondContact O-N 3.02Å; A315-G319 PolarHBondContact O-N 3.29Å
316	C	66.6	Low	65.8	Low	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.2	-57.4	172.3	-171.2	0	0	0	0	110.4	T312 L313 A314 E318 G319 V320 P464 L497	T312-C316 VanDerWaalsContact O-CB 3.28Å; T312-C316 WeakPolarHBondContact O-CB 3.29Å; T312-C316 PolarHBondContact O-N 3.08Å; L313-C316 CarbonylContact O-C 3.47Å; L313-C316 WeakPolarHBondContact O-CB 3.37Å; L313-C316 PolarHBondContact O-N 3.31Å; L313-C316 VanDerWaalsContact O-N 3.17Å; A314-C316 VanDerWaalsContact C-N 3.34Å; C316-E318 PolarHBondContact O-N 3.49Å; C316-G319 PolarHBondContact O-N 2.9Å; C316-G319 VanDerWaalsContact O-N 3.14Å; C316-V320 VanDerWaalsContact O-CB 3.27Å; C316-V320 WeakPolarHBondContact O-CB 3.46Å; C316-V320 WeakPolarHBondContact O-CG2 3.32Å; C316-V320 PolarHBondContact O-N 2.93Å; C316-P464 HydrophobicContact CB-CG 4.2Å; C316-L497 HydrophobicContact CB-CD1 3.92Å
317	S	65.1	Low	66.9	Low	27 Å²	27	32.8 Å²	32.8	19%	0.189	17%	0.174	C	C	.	.	H	α-helix	trans	-61.5	-41	-176.3	61.7	0	0	0	0	113.6	L313 A314 M321	L313-S317 PolarHBondContact O-N 3.48Å; L313-S317 PolarHBondContact O-OG 2.94Å; A314-S317 PolarHBondContact O-OG 3.32Å; S317-M321 WeakPolarHBondContact O-CB 3.39Å; S317-M321 WeakPolarHBondContact O-CG 3.43Å; S317-M321 PolarHBondContact O-N 3.01Å
318	E	65.1	Low	67.9	Low	58 Å²	58	33.2 Å²	33.2	27%	0.271	17%	0.172	S	C	.	.	H	α-helix	trans	-64.3	-46.4	174	177.5	65.9	-168.2	0	0	110.7	A314 C316 V320 M321 R322 L452	A314-E318 VanDerWaalsContact O-CB 3.27Å; A314-E318 WeakPolarHBondContact O-CB 3.44Å; A314-E318 PolarHBondContact O-N 3.37Å; C316-E318 PolarHBondContact O-N 3.49Å; E318-V320 VanDerWaalsContact C-N 3.34Å; E318-V320 PolarHBondContact O-N 2.97Å; E318-M321 PolarHBondContact O-N 3.37Å; E318-M321 WeakPolarHBondContact OE2-CE 3.48Å; E318-R322 HydrophobicContact CG-CG 4.44Å; E318-R322 WeakPolarHBondContact O-CB 3.27Å; E318-R322 WeakPolarHBondContact O-CG 3.35Å; E318-R322 PolarHBondContact O-N 3.14Å; E318-R322 IonicContact OE1-CZ 2.97Å; E318-R322 IonicContact OE1-NE 2.67Å; E318-R322 PolarHBondContact OE1-NE 3.49Å; E318-R322 IonicContact OE1-NH2 3.93Å; E318-R322 PolarHBondContact OE1-NH2 2.81Å; E318-R322 IonicContact OE2-NH2 3.66Å; E318-L452 HydrophobicContact CG-CD1 4.31Å
319	G	65.5	Low	68.8	Low	1 Å²	1	38.5 Å²	38.5	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-65.1	-36.6	178.5	0	0	0	0	0	113.8	A315 C316 F323 Y467	A315-G319 PolarHBondContact O-N 3.29Å; C316-G319 PolarHBondContact O-N 2.9Å; C316-G319 VanDerWaalsContact O-N 3.14Å; G319-F323 VanDerWaalsContact O-CB 3.3Å; G319-F323 WeakPolarHBondContact O-CB 3.48Å; G319-F323 PolarHBondContact O-N 3.49Å; G319-Y467 WeakPolarHBondContact CA-OH 3.48Å
320	V	70.3	Confident	69.6	Low	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-44.8	174.1	169.3	0	0	0	0	110.2	C316 E318 F323 S324 F466 A490 F494 L537	C316-V320 VanDerWaalsContact O-CB 3.27Å; C316-V320 WeakPolarHBondContact O-CB 3.46Å; C316-V320 WeakPolarHBondContact O-CG2 3.32Å; C316-V320 PolarHBondContact O-N 2.93Å; E318-V320 VanDerWaalsContact C-N 3.34Å; E318-V320 PolarHBondContact O-N 2.97Å; V320-F323 PolarHBondContact O-N 2.92Å; V320-S324 WeakPolarHBondContact O-CB 3.42Å; V320-S324 PolarHBondContact O-N 3.39Å; V320-S324 PolarHBondContact O-OG 2.85Å; V320-F466 HydrophobicContact CG2-CE1 3.98Å; V320-F466 HydrophobicContact CG2-CZ 4.49Å; V320-A490 HydrophobicContact CG2-CB 4.16Å; V320-F494 HydrophobicContact CG2-CD2 4.46Å; V320-L537 HydrophobicContact CG1-CD1 3.86Å; V320-L537 HydrophobicContact CG1-CD2 3.73Å; V320-L537 HydrophobicContact CG1-CG 4.22Å
321	M	68.4	Low	70.6	Confident	70 Å²	70	36.5 Å²	36.5	35%	0.345	18%	0.183	S	C	.	.	H	α-helix	trans	-59.6	-50.7	172.6	-78.3	-165.7	-52.6	0	0	111.4	S317 E318 F323 S324 E325 L533	S317-M321 WeakPolarHBondContact O-CB 3.39Å; S317-M321 WeakPolarHBondContact O-CG 3.43Å; S317-M321 PolarHBondContact O-N 3.01Å; E318-M321 PolarHBondContact O-N 3.37Å; E318-M321 WeakPolarHBondContact OE2-CE 3.48Å; M321-F323 VanDerWaalsContact C-N 3.32Å; M321-F323 PolarHBondContact O-N 2.74Å; M321-S324 CarbonylContact O-C 3.57Å; M321-S324 WeakPolarHBondContact O-CA 3.41Å; M321-S324 VanDerWaalsContact O-CB 3.29Å; M321-S324 WeakPolarHBondContact O-CB 3.35Å; M321-S324 PolarHBondContact O-N 3.25Å; M321-E325 WeakPolarHBondContact O-CG 3.3Å; M321-E325 PolarHBondContact O-N 2.79Å; M321-L533 HydrophobicContact CG-CD2 3.54Å; M321-L533 HydrophobicContact SD-CD2 4.45Å
322	R	68	Low	71.6	Confident	76 Å²	76	38.2 Å²	38.2	29%	0.287	19%	0.192	S	C	.	.	H	α-helix	trans	-62.3	-37	-179.1	-66.5	-82.2	163.8	-114.3	-24.2	113	E318 E325 G326 I404	E318-R322 HydrophobicContact CG-CG 4.44Å; E318-R322 WeakPolarHBondContact O-CB 3.27Å; E318-R322 WeakPolarHBondContact O-CG 3.35Å; E318-R322 PolarHBondContact O-N 3.14Å; E318-R322 IonicContact OE1-CZ 2.97Å; E318-R322 IonicContact OE1-NE 2.67Å; E318-R322 PolarHBondContact OE1-NE 3.49Å; E318-R322 IonicContact OE1-NH2 3.93Å; E318-R322 PolarHBondContact OE1-NH2 2.81Å; E318-R322 IonicContact OE2-NH2 3.66Å; R322-E325 WeakPolarHBondContact CD-OE2 3.39Å; R322-E325 IonicContact CZ-OE1 3.27Å; R322-E325 IonicContact CZ-OE2 2.68Å; R322-E325 IonicContact NE-OE2 3.25Å; R322-E325 IonicContact NH1-OE1 2.67Å; R322-E325 PolarHBondContact NH1-OE1 2.87Å; R322-E325 IonicContact NH1-OE2 2.82Å; R322-E325 PolarHBondContact NH1-OE2 2.8Å; R322-G326 PolarHBondContact O-N 2.84Å; R322-G326 VanDerWaalsContact O-N 3.16Å; R322-I404 HydrophobicContact CB-CB 4.3Å; R322-I404 HydrophobicContact CB-CG2 3.79Å
323	F	76.2	Confident	72.5	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.009	20%	0.2	C	C	.	.	H	α-helix	trans	-68.7	-36.5	171.4	-179.6	-117.2	0	0	0	111.7	G319 V320 M321 G326 L327 L400 I404 F466 L483 L486 L487	G319-F323 VanDerWaalsContact O-CB 3.3Å; G319-F323 WeakPolarHBondContact O-CB 3.48Å; G319-F323 PolarHBondContact O-N 3.49Å; V320-F323 PolarHBondContact O-N 2.92Å; M321-F323 VanDerWaalsContact C-N 3.32Å; M321-F323 PolarHBondContact O-N 2.74Å; F323-G326 PolarHBondContact O-N 3.49Å; F323-L327 HydrophobicContact CD1-CD1 4.13Å; F323-L327 HydrophobicContact CE1-CD1 3.56Å; F323-L327 HydrophobicContact CE1-CG 4.12Å; F323-L327 HydrophobicContact CE2-CD1 4.5Å; F323-L327 HydrophobicContact CE2-CD2 4.29Å; F323-L327 HydrophobicContact CE2-CG 4.19Å; F323-L327 HydrophobicContact CZ-CD1 3.79Å; F323-L327 HydrophobicContact CZ-CD2 4.05Å; F323-L327 HydrophobicContact CZ-CG 3.94Å; F323-L327 WeakPolarHBondContact O-CG 3.34Å; F323-L327 PolarHBondContact O-N 3.19Å; F323-L400 HydrophobicContact CD2-CD1 4.04Å; F323-L400 HydrophobicContact CE2-CD1 4.13Å; F323-L400 HydrophobicContact CE2-CD2 4.13Å; F323-I404 HydrophobicContact CB-CD1 4.21Å; F323-I404 HydrophobicContact CB-CG1 4.37Å; F323-I404 HydrophobicContact CD2-CD1 3.98Å; F323-F466 HydrophobicContact CB-CE2 4.48Å; F323-L483 HydrophobicContact CE2-CD2 4.01Å; F323-L483 HydrophobicContact CZ-CD2 4.28Å; F323-L486 HydrophobicContact CE1-CB 4.28Å; F323-L486 HydrophobicContact CE2-CB 4.35Å; F323-L486 HydrophobicContact CE2-CD1 4.49Å; F323-L486 HydrophobicContact CZ-CB 3.77Å; F323-L487 HydrophobicContact CD1-CD1 4.4Å; F323-L487 HydrophobicContact CE1-CB 3.86Å; F323-L487 HydrophobicContact CE1-CD1 4.02Å; F323-L487 HydrophobicContact CZ-CB 4.49Å
324	S	76.9	Confident	73.4	Confident	7 Å²	7	39 Å²	39	5%	0.049	20%	0.198	C	C	.	.	H	α-helix	trans	-65.3	-40.6	174.5	-54.3	0	0	0	0	112.2	V320 M321 G326 L327 E328 Q540	V320-S324 WeakPolarHBondContact O-CB 3.42Å; V320-S324 PolarHBondContact O-N 3.39Å; V320-S324 PolarHBondContact O-OG 2.85Å; M321-S324 CarbonylContact O-C 3.57Å; M321-S324 WeakPolarHBondContact O-CA 3.41Å; M321-S324 VanDerWaalsContact O-CB 3.29Å; M321-S324 WeakPolarHBondContact O-CB 3.35Å; M321-S324 PolarHBondContact O-N 3.25Å; S324-G326 VanDerWaalsContact C-N 3.34Å; S324-L327 PolarHBondContact O-N 2.93Å; S324-E328 WeakPolarHBondContact O-CB 3.29Å; S324-E328 PolarHBondContact O-N 2.83Å; S324-Q540 PolarHBondContact O-NE2 3.31Å
325	E	70.9	Confident	74.5	Confident	86 Å²	86	38.5 Å²	38.5	40%	0.402	19%	0.186	S	C	.	.	H	α-helix	trans	-59.1	-44.1	172.4	-69.6	169.1	175	0	0	110.9	M321 R322 E328 Y329	M321-E325 WeakPolarHBondContact O-CG 3.3Å; M321-E325 PolarHBondContact O-N 2.79Å; R322-E325 WeakPolarHBondContact CD-OE2 3.39Å; R322-E325 IonicContact CZ-OE1 3.27Å; R322-E325 IonicContact CZ-OE2 2.68Å; R322-E325 IonicContact NE-OE2 3.25Å; R322-E325 IonicContact NH1-OE1 2.67Å; R322-E325 PolarHBondContact NH1-OE1 2.87Å; R322-E325 IonicContact NH1-OE2 2.82Å; R322-E325 PolarHBondContact NH1-OE2 2.8Å; E325-E328 PolarHBondContact O-N 3.47Å; E325-Y329 PolarHBondContact O-N 3.44Å; E325-Y329 VanDerWaalsContact O-N 3.13Å
326	G	73.9	Confident	75.5	Confident	3 Å²	3	45.1 Å²	45.1	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-63.4	-43.1	175.5	0	0	0	0	0	113.2	R322 F323 S324 Y329 I330	R322-G326 PolarHBondContact O-N 2.84Å; R322-G326 VanDerWaalsContact O-N 3.16Å; F323-G326 PolarHBondContact O-N 3.49Å; S324-G326 VanDerWaalsContact C-N 3.34Å; G326-Y329 PolarHBondContact O-N 2.67Å; G326-I330 PolarHBondContact O-N 2.87Å
327	L	80.6	Confident	76.4	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-65.8	-37.5	173.6	-71.8	-177.3	0	0	0	112.4	F323 S324 Y329 I330 F331 L483 L487 Q540 L544	F323-L327 HydrophobicContact CD1-CD1 4.13Å; F323-L327 HydrophobicContact CE1-CD1 3.56Å; F323-L327 HydrophobicContact CE1-CG 4.12Å; F323-L327 HydrophobicContact CE2-CD1 4.5Å; F323-L327 HydrophobicContact CE2-CD2 4.29Å; F323-L327 HydrophobicContact CE2-CG 4.19Å; F323-L327 HydrophobicContact CZ-CD1 3.79Å; F323-L327 HydrophobicContact CZ-CD2 4.05Å; F323-L327 HydrophobicContact CZ-CG 3.94Å; F323-L327 WeakPolarHBondContact O-CG 3.34Å; F323-L327 PolarHBondContact O-N 3.19Å; S324-L327 PolarHBondContact O-N 2.93Å; L327-Y329 VanDerWaalsContact C-N 3.33Å; L327-Y329 PolarHBondContact O-N 3.09Å; L327-I330 HydrophobicContact CD2-CD1 4Å; L327-I330 WeakPolarHBondContact O-CB 3.34Å; L327-I330 PolarHBondContact O-N 2.94Å; L327-I330 VanDerWaalsContact O-N 3.09Å; L327-F331 HydrophobicContact CB-CD2 4.41Å; L327-F331 HydrophobicContact CB-CE2 3.76Å; L327-F331 HydrophobicContact CB-CZ 4.27Å; L327-F331 WeakPolarHBondContact O-CD2 3.38Å; L327-F331 WeakPolarHBondContact O-CG 3.26Å; L327-F331 PolarHBondContact O-N 3.49Å; L327-L483 HydrophobicContact CD2-CB 4.29Å; L327-L483 HydrophobicContact CD2-CD1 4.14Å; L327-L483 HydrophobicContact CD2-CD2 4.12Å; L327-L483 HydrophobicContact CD2-CG 4.42Å; L327-L487 HydrophobicContact CD1-CB 4.41Å; L327-L487 HydrophobicContact CD1-CD1 3.97Å; L327-L487 HydrophobicContact CD1-CD2 4.12Å; L327-L487 HydrophobicContact CD1-CG 4.4Å; L327-Q540 HydrophobicContact CD1-CB 4.43Å; L327-L544 HydrophobicContact CD1-CD1 4.04Å; L327-L544 HydrophobicContact CD2-CD1 4.18Å
328	E	80.5	Confident	77.4	Confident	73 Å²	73	47.2 Å²	47.2	34%	0.341	21%	0.21	S	C	.	.	H	α-helix	trans	-62.8	-38	177.9	-175.5	162.6	-143	0	0	112.1	S324 E325 I330 F331 M332 C601	S324-E328 WeakPolarHBondContact O-CB 3.29Å; S324-E328 PolarHBondContact O-N 2.83Å; E325-E328 PolarHBondContact O-N 3.47Å; E328-I330 VanDerWaalsContact C-N 3.31Å; E328-I330 PolarHBondContact O-N 3.34Å; E328-F331 PolarHBondContact O-N 3.39Å; E328-M332 HydrophobicContact CG-CG 4.4Å; E328-M332 WeakPolarHBondContact O-CB 3.36Å; E328-M332 WeakPolarHBondContact O-CG 3.44Å; E328-M332 PolarHBondContact O-N 3.38Å; E328-C601 HydrophobicContact CG-CB 4.44Å
329	Y	78.4	Confident	78.4	Confident	156 Å²	156	46.8 Å²	46.8	61%	0.612	21%	0.21	S	C	*	.	H	α-helix	trans	-59.5	-39.6	171.4	-178	-96.5	0	0	0	112.7	E325 G326 L327 S333	E325-Y329 PolarHBondContact O-N 3.44Å; E325-Y329 VanDerWaalsContact O-N 3.13Å; G326-Y329 PolarHBondContact O-N 2.67Å; L327-Y329 VanDerWaalsContact C-N 3.33Å; L327-Y329 PolarHBondContact O-N 3.09Å; Y329-S333 VanDerWaalsContact O-CB 3.25Å; Y329-S333 WeakPolarHBondContact O-CB 3Å; Y329-S333 PolarHBondContact O-N 3.35Å; Y329-S333 PolarHBondContact O-OG 3.48Å
330	I	81.4	Confident	79.4	Confident	13 Å²	13	49.8 Å²	49.8	7%	0.067	23%	0.225	C	C	.	.	H	α-helix	trans	-66.8	-43.2	175.6	-55.5	166.7	0	0	0	110.3	G326 L327 E328 S333 S334 V395 L483	G326-I330 PolarHBondContact O-N 2.87Å; L327-I330 HydrophobicContact CD2-CD1 4Å; L327-I330 WeakPolarHBondContact O-CB 3.34Å; L327-I330 PolarHBondContact O-N 2.94Å; L327-I330 VanDerWaalsContact O-N 3.09Å; E328-I330 VanDerWaalsContact C-N 3.31Å; E328-I330 PolarHBondContact O-N 3.34Å; I330-S333 PolarHBondContact O-N 3.48Å; I330-S334 VanDerWaalsContact O-CB 3.28Å; I330-S334 WeakPolarHBondContact O-CB 3.13Å; I330-S334 PolarHBondContact O-N 3.33Å; I330-S334 PolarHBondContact O-OG 3.4Å; I330-V395 HydrophobicContact CD1-CG2 3.52Å; I330-V395 HydrophobicContact CG1-CG2 4.18Å; I330-L483 HydrophobicContact CD1-CD1 3.67Å
331	F	83.2	Confident	80.2	Confident	8 Å²	8	49.8 Å²	49.8	4%	0.035	23%	0.225	C	C	.	.	H	α-helix	trans	-66.6	-42.9	178.4	-59.6	-44.9	0	0	0	112.2	L327 E328 S334 K335 Q540 N543 L544 L547	L327-F331 HydrophobicContact CB-CD2 4.41Å; L327-F331 HydrophobicContact CB-CE2 3.76Å; L327-F331 HydrophobicContact CB-CZ 4.27Å; L327-F331 WeakPolarHBondContact O-CD2 3.38Å; L327-F331 WeakPolarHBondContact O-CG 3.26Å; L327-F331 PolarHBondContact O-N 3.49Å; E328-F331 PolarHBondContact O-N 3.39Å; F331-S334 PolarHBondContact O-N 3Å; F331-K335 WeakPolarHBondContact O-CB 3.5Å; F331-K335 PolarHBondContact O-N 3.08Å; F331-Q540 HydrophobicContact CD2-CG 4.37Å; F331-Q540 HydrophobicContact CE2-CB 3.71Å; F331-Q540 HydrophobicContact CE2-CG 3.63Å; F331-Q540 HydrophobicContact CZ-CB 4.11Å; F331-Q540 WeakPolarHBondContact CZ-O 3.22Å; F331-N543 HydrophobicContact CD1-CB 3.65Å; F331-N543 HydrophobicContact CD2-CB 4.45Å; F331-N543 HydrophobicContact CE1-CB 3.42Å; F331-N543 VanDerWaalsContact CE1-CB 3.42Å; F331-N543 HydrophobicContact CE2-CB 4.28Å; F331-N543 HydrophobicContact CG-CB 4.19Å; F331-N543 HydrophobicContact CZ-CB 3.77Å; F331-L544 HydrophobicContact CE1-CG 4.06Å; F331-L544 HydrophobicContact CZ-CD1 4.32Å; F331-L544 HydrophobicContact CZ-CG 3.9Å; F331-L547 HydrophobicContact CD1-CD1 3.92Å; F331-L547 HydrophobicContact CE1-CD1 4.01Å
332	M	81	Confident	81.1	Confident	127 Å²	127	46.8 Å²	46.8	63%	0.626	21%	0.211	S	C	*	.	H	α-helix	trans	-62.4	-45.3	174.2	-71.5	-144.6	78.4	0	0	111.8	E328 S334 K335 Y336	E328-M332 HydrophobicContact CG-CG 4.4Å; E328-M332 WeakPolarHBondContact O-CB 3.36Å; E328-M332 WeakPolarHBondContact O-CG 3.44Å; E328-M332 PolarHBondContact O-N 3.38Å; M332-S334 PolarHBondContact O-N 3Å; M332-K335 PolarHBondContact O-N 3.48Å; M332-Y336 PolarHBondContact O-N 2.97Å
333	S	81.3	Confident	82	Confident	28 Å²	28	48.5 Å²	48.5	20%	0.196	22%	0.22	C	C	.	.	H	α-helix	trans	-60.9	-45	177	-61.5	0	0	0	0	111.3	Y329 I330 Y336 Y337	Y329-S333 VanDerWaalsContact O-CB 3.25Å; Y329-S333 WeakPolarHBondContact O-CB 3Å; Y329-S333 PolarHBondContact O-N 3.35Å; Y329-S333 PolarHBondContact O-OG 3.48Å; I330-S333 PolarHBondContact O-N 3.48Å; S333-Y336 PolarHBondContact O-N 3.31Å; S333-Y337 VanDerWaalsContact O-CD2 3.26Å; S333-Y337 WeakPolarHBondContact O-CD2 3.3Å
334	S	83.5	Confident	82.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-45.6	176.3	-57.6	0	0	0	0	112	I330 F331 M332 Y336 Y337 L338 W393	I330-S334 VanDerWaalsContact O-CB 3.28Å; I330-S334 WeakPolarHBondContact O-CB 3.13Å; I330-S334 PolarHBondContact O-N 3.33Å; I330-S334 PolarHBondContact O-OG 3.4Å; F331-S334 PolarHBondContact O-N 3Å; M332-S334 PolarHBondContact O-N 3Å; S334-Y336 VanDerWaalsContact C-N 3.29Å; S334-Y336 PolarHBondContact O-N 2.8Å; S334-Y337 PolarHBondContact O-N 3.12Å; S334-L338 WeakPolarHBondContact O-CG 3.4Å; S334-L338 PolarHBondContact O-N 3.47Å; S334-W393 PolarHBondContact OG-NE1 3.36Å
335	K	85	Confident	82.9	Confident	41 Å²	41	49.2 Å²	49.2	18%	0.178	22%	0.222	C	C	.	.	H	α-helix	trans	-60.1	-37.4	179.7	-176.7	165	179.7	166.6	0	111.7	F331 M332 Y337 L338 D339 L598 D600	F331-K335 WeakPolarHBondContact O-CB 3.5Å; F331-K335 PolarHBondContact O-N 3.08Å; M332-K335 PolarHBondContact O-N 3.48Å; K335-Y337 PolarHBondContact O-N 2.84Å; K335-L338 PolarHBondContact O-N 2.96Å; K335-D339 WeakPolarHBondContact CE-OD2 3.48Å; K335-D339 WeakPolarHBondContact O-CB 3.29Å; K335-D339 PolarHBondContact O-N 2.96Å; K335-L598 HydrophobicContact CB-CD1 4.22Å; K335-D600 IonicContact NZ-OD1 2.66Å; K335-D600 PolarHBondContact NZ-OD1 3.13Å; K335-D600 IonicContact NZ-OD2 2.62Å; K335-D600 PolarHBondContact NZ-OD2 3.06Å
336	Y	84.5	Confident	83.6	Confident	171 Å²	171	49.2 Å²	49.2	67%	0.671	22%	0.222	S	C	*	.	H	α-helix	trans	-55.8	-46.8	176.3	176.5	-95	0	0	0	112.9	M332 S333 S334 D340	M332-Y336 PolarHBondContact O-N 2.97Å; S333-Y336 PolarHBondContact O-N 3.31Å; S334-Y336 VanDerWaalsContact C-N 3.29Å; S334-Y336 PolarHBondContact O-N 2.8Å; Y336-D340 PolarHBondContact O-N 3.3Å
337	Y	84.2	Confident	84.1	Confident	69 Å²	69	53.5 Å²	53.5	27%	0.271	24%	0.24	S	C	.	.	H	α-helix	trans	-76.7	-37.5	178.4	-64.6	-87.9	0	0	0	112.6	S333 S334 K335 D340 L341 K388 L392	S333-Y337 VanDerWaalsContact O-CD2 3.26Å; S333-Y337 WeakPolarHBondContact O-CD2 3.3Å; S334-Y337 PolarHBondContact O-N 3.12Å; K335-Y337 PolarHBondContact O-N 2.84Å; Y337-D340 PolarHBondContact O-N 3.09Å; Y337-L341 PolarHBondContact O-N 3.11Å; Y337-K388 HydrophobicContact CE1-CD 3.78Å; Y337-K388 PolarHBondContact OH-NZ 2.84Å; Y337-L392 HydrophobicContact CD2-CD1 3.68Å; Y337-L392 HydrophobicContact CD2-CD2 4.15Å; Y337-L392 HydrophobicContact CE2-CD1 3.87Å; Y337-L392 HydrophobicContact CE2-CD2 3.71Å; Y337-L392 HydrophobicContact CE2-CG 4.41Å; Y337-L392 HydrophobicContact CG-CD1 4.32Å
338	L	86.5	Confident	84.2	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-65	-38.4	176.4	-69.6	167.6	0	0	0	111.6	S334 K335 L341 L342 L385 L547 L550 M596 L598	S334-L338 WeakPolarHBondContact O-CG 3.4Å; S334-L338 PolarHBondContact O-N 3.47Å; K335-L338 PolarHBondContact O-N 2.96Å; L338-L341 PolarHBondContact O-N 2.86Å; L338-L342 WeakPolarHBondContact O-CB 3.37Å; L338-L342 VanDerWaalsContact O-CG 3.24Å; L338-L342 WeakPolarHBondContact O-CG 3.45Å; L338-L342 PolarHBondContact O-N 3.05Å; L338-L385 HydrophobicContact CD2-CD2 3.85Å; L338-L547 HydrophobicContact CD1-CD2 4.22Å; L338-L550 HydrophobicContact CD1-CD1 4.31Å; L338-L550 HydrophobicContact CD2-CD1 4.19Å; L338-M596 HydrophobicContact CD2-CB 4.19Å; L338-M596 HydrophobicContact CD2-CG 4.11Å; L338-L598 HydrophobicContact CD1-CD1 3.99Å; L338-L598 HydrophobicContact CD1-CG 4.05Å
339	D	85.5	Confident	84.1	Confident	49 Å²	49	51.6 Å²	51.6	26%	0.262	23%	0.232	S	C	.	.	H	α-helix	trans	-69.5	-30.4	177.3	-81	-7.4	0	0	0	112.8	K335 K343	K335-D339 WeakPolarHBondContact CE-OD2 3.48Å; K335-D339 WeakPolarHBondContact O-CB 3.29Å; K335-D339 PolarHBondContact O-N 2.96Å; D339-K343 WeakPolarHBondContact O-CB 3.49Å; D339-K343 WeakPolarHBondContact O-CD 3.34Å; D339-K343 WeakPolarHBondContact O-CG 3.3Å; D339-K343 PolarHBondContact O-N 2.93Å
340	D	87.1	Confident	84.2	Confident	64 Å²	64	49.2 Å²	49.2	34%	0.342	23%	0.228	S	C	.	.	H	α-helix	trans	-68.9	-43.6	170.5	-172.2	53.5	0	0	0	111.1	Y336 Y337 L342 K343 K344 T381	Y336-D340 PolarHBondContact O-N 3.3Å; Y337-D340 PolarHBondContact O-N 3.09Å; D340-L342 PolarHBondContact O-N 3.45Å; D340-K343 PolarHBondContact O-N 2.86Å; D340-K344 WeakPolarHBondContact O-CG 3.24Å; D340-K344 PolarHBondContact O-N 2.81Å; D340-K344 VanDerWaalsContact O-N 3.09Å; D340-K344 WeakPolarHBondContact OD2-CE 3.14Å; D340-K344 IonicContact OD2-NZ 2.65Å; D340-K344 PolarHBondContact OD2-NZ 3.14Å; D340-T381 WeakPolarHBondContact OD2-CG2 3.26Å
341	L	86.9	Confident	83.9	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-43.5	175.1	-173.7	59.9	0	0	0	111.5	Y337 L338 K344 I345 I378 T381 A382 L385 F558 M596	Y337-L341 PolarHBondContact O-N 3.11Å; L338-L341 PolarHBondContact O-N 2.86Å; L341-K344 PolarHBondContact O-N 3.28Å; L341-I345 HydrophobicContact CG-CD1 4.22Å; L341-I345 WeakPolarHBondContact O-CG1 3.3Å; L341-I345 PolarHBondContact O-N 3.34Å; L341-I378 HydrophobicContact CD1-CG2 4.1Å; L341-T381 HydrophobicContact CB-CG2 4.23Å; L341-T381 HydrophobicContact CD1-CG2 4.15Å; L341-A382 HydrophobicContact CD1-CB 4.08Å; L341-A382 HydrophobicContact CD2-CB 4.28Å; L341-L385 HydrophobicContact CD2-CD2 4.23Å; L341-F558 HydrophobicContact CD1-CE1 4.23Å; L341-F558 HydrophobicContact CD2-CE1 4.3Å; L341-M596 HydrophobicContact CD2-CE 3.75Å; L341-M596 HydrophobicContact CD2-SD 3.86Å; L341-M596 HydrophobicContact CG-SD 4.3Å
342	L	87	Confident	83.4	Confident	7 Å²	7	51 Å²	51	4%	0.037	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-45.2	174.5	-75.8	166.5	0	0	0	112.1	L338 D340 K344 I345 E346 K593 M596 K597	L338-L342 WeakPolarHBondContact O-CB 3.37Å; L338-L342 VanDerWaalsContact O-CG 3.24Å; L338-L342 WeakPolarHBondContact O-CG 3.45Å; L338-L342 PolarHBondContact O-N 3.05Å; D340-L342 PolarHBondContact O-N 3.45Å; L342-K344 PolarHBondContact O-N 2.8Å; L342-I345 PolarHBondContact O-N 2.77Å; L342-E346 WeakPolarHBondContact O-CG 3.45Å; L342-E346 PolarHBondContact O-N 3.48Å; L342-K593 HydrophobicContact CD2-CB 3.81Å; L342-K593 HydrophobicContact CD2-CG 3.84Å; L342-M596 HydrophobicContact CD1-CB 4.34Å; L342-M596 HydrophobicContact CD2-CB 4.04Å; L342-M596 HydrophobicContact CG-CB 4.2Å; L342-K597 HydrophobicContact CD1-CG 3.96Å
343	K	87.5	Confident	83.2	Confident	113 Å²	113	49 Å²	49	49%	0.491	22%	0.224	S	C	.	.	H	α-helix	trans	-62.1	-28.5	176.1	-73.8	159.5	-165.4	151.1	0	112.8	D339 D340 K347	D339-K343 WeakPolarHBondContact O-CB 3.49Å; D339-K343 WeakPolarHBondContact O-CD 3.34Å; D339-K343 WeakPolarHBondContact O-CG 3.3Å; D339-K343 PolarHBondContact O-N 2.93Å; D340-K343 PolarHBondContact O-N 2.86Å; K343-K347 WeakPolarHBondContact O-CG 3.46Å; K343-K347 PolarHBondContact O-N 3.25Å
344	K	86.8	Confident	82.7	Confident	23 Å²	23	50.6 Å²	50.6	10%	0.1	23%	0.233	C	C	.	.	H	α-helix	trans	-80	-39.5	175.5	-68.1	174.2	-177.3	-167	0	111.9	D340 L341 L342 E346 K347 L348 D377 I378 T381	D340-K344 WeakPolarHBondContact O-CG 3.24Å; D340-K344 PolarHBondContact O-N 2.81Å; D340-K344 VanDerWaalsContact O-N 3.09Å; D340-K344 WeakPolarHBondContact OD2-CE 3.14Å; D340-K344 IonicContact OD2-NZ 2.65Å; D340-K344 PolarHBondContact OD2-NZ 3.14Å; L341-K344 PolarHBondContact O-N 3.28Å; L342-K344 PolarHBondContact O-N 2.8Å; K344-E346 VanDerWaalsContact C-N 3.27Å; K344-E346 PolarHBondContact O-N 2.93Å; K344-K347 PolarHBondContact O-N 2.81Å; K344-L348 PolarHBondContact O-N 3.46Å; K344-D377 VanDerWaalsContact CD-OD2 3.31Å; K344-D377 WeakPolarHBondContact CD-OD2 3.48Å; K344-D377 WeakPolarHBondContact CE-OD1 3.48Å; K344-D377 VanDerWaalsContact CE-OD2 3.3Å; K344-D377 WeakPolarHBondContact CE-OD2 3.45Å; K344-D377 IonicContact NZ-OD1 3.68Å; K344-D377 PolarHBondContact NZ-OD1 3.28Å; K344-D377 IonicContact NZ-OD2 3.8Å; K344-I378 HydrophobicContact CB-CG1 3.77Å; K344-T381 HydrophobicContact CD-CG2 4.13Å; K344-T381 VanDerWaalsContact CD-OG1 3.24Å; K344-T381 WeakPolarHBondContact CD-OG1 3.37Å; K344-T381 PolarHBondContact NZ-OG1 3.09Å
345	I	85.1	Confident	82.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-39.8	169.1	-65.2	163.9	0	0	0	110.6	L341 L342 K347 L348 E349 I378 F558 L589 K593 M596	L341-I345 HydrophobicContact CG-CD1 4.22Å; L341-I345 WeakPolarHBondContact O-CG1 3.3Å; L341-I345 PolarHBondContact O-N 3.34Å; L342-I345 PolarHBondContact O-N 2.77Å; I345-K347 PolarHBondContact O-N 2.79Å; I345-L348 WeakPolarHBondContact O-CA 3.17Å; I345-L348 WeakPolarHBondContact O-CB 3.24Å; I345-L348 PolarHBondContact O-N 2.9Å; I345-L348 VanDerWaalsContact O-N 3.08Å; I345-E349 PolarHBondContact O-N 2.9Å; I345-I378 HydrophobicContact CG1-CD1 4.42Å; I345-F558 HydrophobicContact CD1-CE2 4.07Å; I345-F558 HydrophobicContact CD1-CZ 3.71Å; I345-F558 HydrophobicContact CG1-CZ 4.1Å; I345-L589 HydrophobicContact CG2-CD2 4.28Å; I345-K593 HydrophobicContact CG2-CD 3.93Å; I345-K593 HydrophobicContact CG2-CG 3.86Å; I345-M596 HydrophobicContact CD1-SD 3.89Å
346	E	85.3	Confident	81.4	Confident	86 Å²	86	56 Å²	56	40%	0.402	27%	0.266	S	S	.	.	H	α-helix	trans	-66	-32.3	177.9	-78.3	179	168.2	0	0	113.7	L342 K344 E349 K593	L342-E346 WeakPolarHBondContact O-CG 3.45Å; L342-E346 PolarHBondContact O-N 3.48Å; K344-E346 VanDerWaalsContact C-N 3.27Å; K344-E346 PolarHBondContact O-N 2.93Å; E346-E349 PolarHBondContact O-N 3.16Å; E346-K593 WeakPolarHBondContact OE1-CE 3.46Å; E346-K593 IonicContact OE1-NZ 2.62Å; E346-K593 PolarHBondContact OE1-NZ 3.37Å
347	K	84.1	Confident	80.7	Confident	93 Å²	93	51.5 Å²	51.5	40%	0.404	25%	0.251	S	S	.	.	H	α-helix	trans	-66.6	-37.2	169.8	-65.8	166.6	-169.9	168.8	0	111.7	K343 K344 I345 Y351 Q374	K343-K347 WeakPolarHBondContact O-CG 3.46Å; K343-K347 PolarHBondContact O-N 3.25Å; K344-K347 PolarHBondContact O-N 2.81Å; I345-K347 PolarHBondContact O-N 2.79Å; K347-Y351 WeakPolarHBondContact O-CD2 3.25Å; K347-Q374 VanDerWaalsContact CB-OE1 3.3Å
348	L	82.8	Confident	80	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-67.4	-38.3	175.2	-174.6	73.4	0	0	0	111.8	K344 I345 I350 Y351 L352 I371 Q374 L375 I378 L589	K344-L348 PolarHBondContact O-N 3.46Å; I345-L348 WeakPolarHBondContact O-CA 3.17Å; I345-L348 WeakPolarHBondContact O-CB 3.24Å; I345-L348 PolarHBondContact O-N 2.9Å; I345-L348 VanDerWaalsContact O-N 3.08Å; L348-I350 PolarHBondContact O-N 2.77Å; L348-I350 VanDerWaalsContact O-N 3.09Å; L348-Y351 PolarHBondContact O-N 3.4Å; L348-L352 HydrophobicContact CD2-CD1 4.32Å; L348-L352 HydrophobicContact CG-CD1 4.16Å; L348-L352 HydrophobicContact CG-CG 4.41Å; L348-L352 PolarHBondContact O-N 3.12Å; L348-I371 HydrophobicContact CD1-CD1 4.4Å; L348-I371 HydrophobicContact CD1-CG1 4.45Å; L348-I371 HydrophobicContact CD1-CG2 4.21Å; L348-Q374 HydrophobicContact CD1-CB 4.02Å; L348-L375 HydrophobicContact CD1-CD2 3.85Å; L348-L375 HydrophobicContact CD1-CG 4.19Å; L348-L375 HydrophobicContact CD2-CD2 3.67Å; L348-L375 HydrophobicContact CG-CD2 4.44Å; L348-I378 HydrophobicContact CB-CD1 3.86Å; L348-I378 HydrophobicContact CD2-CD1 3.82Å; L348-I378 HydrophobicContact CG-CD1 4.35Å; L348-L589 HydrophobicContact CD2-CD1 4.08Å
349	E	79.5	Confident	79.1	Confident	34 Å²	34	55.6 Å²	55.6	16%	0.159	28%	0.277	C	S	.	.	H	α-helix	trans	-59.8	-20.3	179	-76.6	-173.5	119.1	0	0	114.4	I345 E346 K593	I345-E349 PolarHBondContact O-N 2.9Å; E346-E349 PolarHBondContact O-N 3.16Å; E349-K593 WeakPolarHBondContact OE2-CD 3.39Å; E349-K593 IonicContact OE2-NZ 3.93Å; E349-K593 PolarHBondContact OE2-NZ 3Å
350	I	80.9	Confident	78.3	Confident	106 Å²	106	54.7 Å²	54.7	54%	0.544	27%	0.272	S	S	.	.	H	α-helix	trans	-66.1	-47.1	171.7	-59.7	173.2	0	0	0	110.4	L348 L352 H353 F356	L348-I350 PolarHBondContact O-N 2.77Å; L348-I350 VanDerWaalsContact O-N 3.09Å; I350-L352 VanDerWaalsContact C-N 3.3Å; I350-L352 PolarHBondContact O-N 2.96Å; I350-H353 WeakPolarHBondContact O-CB 3.34Å; I350-H353 PolarHBondContact O-N 3.23Å; I350-F356 VanDerWaalsContact O-CE2 3.3Å; I350-F356 WeakPolarHBondContact O-CE2 3.44Å
351	Y	73.8	Confident	77.4	Confident	51 Å²	51	56.3 Å²	56.3	20%	0.2	28%	0.276	C	S	.	.	H	α-helix	trans	-72.9	-25.8	-179.8	-59.7	-86.6	0	0	0	112	K347 L348 H353 F356 Y367 R370 I371 Q374	K347-Y351 WeakPolarHBondContact O-CD2 3.25Å; L348-Y351 PolarHBondContact O-N 3.4Å; Y351-H353 PolarHBondContact O-N 2.72Å; Y351-F356 WeakPolarHBondContact O-CD2 3.44Å; Y351-Y367 HydrophobicContact CD1-CE2 4.35Å; Y351-Y367 PolarHBondContact O-OH 3.32Å; Y351-Y367 VanDerWaalsContact O-OH 3.11Å; Y351-R370 HydrophobicContact CE1-CB 3.95Å; Y351-I371 HydrophobicContact CD1-CG1 4.37Å; Y351-I371 HydrophobicContact CG-CG1 3.98Å; Y351-Q374 HydrophobicContact CD2-CG 4.24Å; Y351-Q374 HydrophobicContact CE2-CG 3.84Å
352	L	74.1	Confident	76.6	Confident	8 Å²	8	62.4 Å²	62.4	4%	0.042	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	14.5	172.5	-57.7	174.8	0	0	0	114	L348 I350 L582 L585 L589	L348-L352 HydrophobicContact CD2-CD1 4.32Å; L348-L352 HydrophobicContact CG-CD1 4.16Å; L348-L352 HydrophobicContact CG-CG 4.41Å; L348-L352 PolarHBondContact O-N 3.12Å; I350-L352 VanDerWaalsContact C-N 3.3Å; I350-L352 PolarHBondContact O-N 2.96Å; L352-L582 HydrophobicContact CB-CD2 4.19Å; L352-L582 HydrophobicContact CD2-CD2 3.53Å; L352-L582 HydrophobicContact CG-CD2 4.48Å; L352-L585 HydrophobicContact CD1-CD2 3.82Å; L352-L585 HydrophobicContact CD2-CD2 3.69Å; L352-L585 HydrophobicContact CG-CD2 4.44Å; L352-L589 HydrophobicContact CD1-CD1 3.34Å
353	H	75.4	Confident	75.7	Confident	84 Å²	84	68.2 Å²	68.2	39%	0.389	33%	0.33	S	S	.	.	S	Bend	trans	-80.8	141.5	176	-167.3	-100.3	0	0	0	111.3	I350 Y351 T355 F356	I350-H353 WeakPolarHBondContact O-CB 3.34Å; I350-H353 PolarHBondContact O-N 3.23Å; Y351-H353 PolarHBondContact O-N 2.72Å; H353-T355 PolarHBondContact ND1-OG1 3.19Å; H353-T355 PolarHBondContact O-N 2.91Å; H353-F356 HydrophobicContact CB-CD2 4.29Å; H353-F356 PolarHBondContact O-N 3.47Å
354	P	71.1	Confident	74.9	Confident	61 Å²	61	64 Å²	64	40%	0.396	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-56.8	-16.2	-177.6	-28.8	36.4	0	0	0	116.2	F356 E357	P354-F356 PolarHBondContact O-N 3.2Å; P354-E357 WeakPolarHBondContact O-CB 3.46Å; P354-E357 PolarHBondContact O-N 3.38Å; P354-E357 VanDerWaalsContact O-N 3.13Å
355	T	71.2	Confident	74.2	Confident	99 Å²	99	67.7 Å²	67.7	61%	0.607	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-63.9	-20.1	171.8	45.6	0	0	0	0	113.9	H353	H353-T355 PolarHBondContact ND1-OG1 3.19Å; H353-T355 PolarHBondContact O-N 2.91Å
356	F	70.9	Confident	73.8	Confident	57 Å²	57	73.5 Å²	73.5	25%	0.25	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-99.5	6.2	175	-59.9	-73.6	0	0	0	112.9	I350 Y351 H353 P354 D358 D359 I360 Y367	I350-F356 VanDerWaalsContact O-CE2 3.3Å; I350-F356 WeakPolarHBondContact O-CE2 3.44Å; Y351-F356 WeakPolarHBondContact O-CD2 3.44Å; H353-F356 HydrophobicContact CB-CD2 4.29Å; H353-F356 PolarHBondContact O-N 3.47Å; P354-F356 PolarHBondContact O-N 3.2Å; F356-D358 PolarHBondContact O-N 3.21Å; F356-D359 HydrophobicContact CB-CB 4.49Å; F356-D359 WeakPolarHBondContact O-CB 3.36Å; F356-D359 PolarHBondContact O-N 3.1Å; F356-D359 VanDerWaalsContact O-N 3.14Å; F356-I360 WeakPolarHBondContact O-CG1 3.37Å; F356-I360 PolarHBondContact O-N 2.95Å; F356-Y367 HydrophobicContact CB-CD2 4.09Å; F356-Y367 HydrophobicContact CB-CE2 3.48Å; F356-Y367 VanDerWaalsContact CB-CE2 3.48Å; F356-Y367 AromaticContact CD1-CD2 3.93Å; F356-Y367 HydrophobicContact CD1-CD2 3.93Å; F356-Y367 HydrophobicContact CD1-CE2 4.01Å; F356-Y367 HydrophobicContact CG-CD2 4.18Å; F356-Y367 AromaticContact CG-CE2 3.77Å; F356-Y367 HydrophobicContact CG-CE2 3.77Å
357	E	70.2	Confident	73.5	Confident	76 Å²	76	70 Å²	70	36%	0.355	35%	0.351	S	S	.	.	H	α-helix	trans	-62.2	-32.8	-178.2	-161.1	-171.6	113.9	0	0	111.9	P354 K361 L582	P354-E357 WeakPolarHBondContact O-CB 3.46Å; P354-E357 PolarHBondContact O-N 3.38Å; P354-E357 VanDerWaalsContact O-N 3.13Å; E357-K361 VanDerWaalsContact O-CG 3.29Å; E357-K361 WeakPolarHBondContact O-CG 3.11Å; E357-K361 PolarHBondContact O-N 2.94Å; E357-K361 VanDerWaalsContact O-N 3.1Å; E357-K361 WeakPolarHBondContact OE1-CE 3.43Å; E357-K361 IonicContact OE1-NZ 3.61Å; E357-K361 PolarHBondContact OE1-NZ 3.41Å; E357-L582 HydrophobicContact CB-CD1 4.27Å; E357-L582 HydrophobicContact CG-CD1 4.24Å
358	D	67.6	Low	73.1	Confident	97 Å²	97	66.8 Å²	66.8	52%	0.519	34%	0.342	S	S	.	.	H	α-helix	trans	-79.2	-31	175.4	-65	-19	0	0	0	112.7	F356 I360 K361 N362	F356-D358 PolarHBondContact O-N 3.21Å; D358-I360 VanDerWaalsContact C-N 3.28Å; D358-I360 PolarHBondContact O-N 3.13Å; D358-K361 PolarHBondContact O-N 3.33Å; D358-K361 IonicContact OD1-NZ 2.68Å; D358-K361 PolarHBondContact OD1-NZ 3.32Å; D358-N362 VanDerWaalsContact O-CB 3.26Å; D358-N362 WeakPolarHBondContact O-CB 3.47Å; D358-N362 PolarHBondContact O-N 2.89Å; D358-N362 PolarHBondContact O-ND2 3.33Å
359	D	69.4	Low	73	Confident	59 Å²	59	70.7 Å²	70.7	32%	0.316	37%	0.366	S	S	.	.	H	α-helix	trans	-62.4	-35.6	169.8	-85	-57	0	0	0	111.7	F356 R363 S364 Y367	F356-D359 HydrophobicContact CB-CB 4.49Å; F356-D359 WeakPolarHBondContact O-CB 3.36Å; F356-D359 PolarHBondContact O-N 3.1Å; F356-D359 VanDerWaalsContact O-N 3.14Å; D359-R363 PolarHBondContact O-N 2.99Å; D359-S364 WeakPolarHBondContact O-CB 3.34Å; D359-S364 PolarHBondContact O-N 3.16Å; D359-S364 VanDerWaalsContact OD1-CB 3.24Å; D359-S364 WeakPolarHBondContact OD1-CB 3.26Å; D359-S364 PolarHBondContact OD1-OG 2.88Å; D359-S364 VanDerWaalsContact OD1-OG 3.09Å; D359-Y367 HydrophobicContact CB-CD2 4.1Å; D359-Y367 HydrophobicContact CB-CG 4Å
360	I	67.2	Low	73.1	Confident	30 Å²	30	75 Å²	75	15%	0.154	38%	0.381	C	S	.	.	H	α-helix	trans	-68.4	-51.2	173	-64.4	170.2	0	0	0	110.9	F356 D358 N362 R363 Y367 L582	F356-I360 WeakPolarHBondContact O-CG1 3.37Å; F356-I360 PolarHBondContact O-N 2.95Å; D358-I360 VanDerWaalsContact C-N 3.28Å; D358-I360 PolarHBondContact O-N 3.13Å; I360-N362 PolarHBondContact O-N 3.43Å; I360-R363 PolarHBondContact O-N 3.02Å; I360-Y367 HydrophobicContact CD1-CE1 4.24Å; I360-Y367 WeakPolarHBondContact CD1-OH 3.38Å; I360-Y367 HydrophobicContact CG1-CD1 4.27Å; I360-Y367 HydrophobicContact CG1-CE1 3.43Å; I360-Y367 VanDerWaalsContact CG1-CE1 3.43Å; I360-Y367 WeakPolarHBondContact CG1-OH 3.17Å; I360-L582 HydrophobicContact CD1-CD1 3.64Å; I360-L582 HydrophobicContact CD1-CD2 3.62Å; I360-L582 HydrophobicContact CD1-CG 3.64Å
361	K	69.1	Low	73.2	Confident	98 Å²	98	70.1 Å²	70.1	43%	0.426	36%	0.356	S	S	.	.	H	α-helix	trans	-57.5	-38.8	179.9	-71.4	165.8	-162.3	151.4	0	111.9	E357 D358 R363 L579	E357-K361 VanDerWaalsContact O-CG 3.29Å; E357-K361 WeakPolarHBondContact O-CG 3.11Å; E357-K361 PolarHBondContact O-N 2.94Å; E357-K361 VanDerWaalsContact O-N 3.1Å; E357-K361 WeakPolarHBondContact OE1-CE 3.43Å; E357-K361 IonicContact OE1-NZ 3.61Å; E357-K361 PolarHBondContact OE1-NZ 3.41Å; D358-K361 PolarHBondContact O-N 3.33Å; D358-K361 IonicContact OD1-NZ 2.68Å; D358-K361 PolarHBondContact OD1-NZ 3.32Å; K361-R363 VanDerWaalsContact C-N 3.3Å; K361-R363 PolarHBondContact O-N 3.35Å; K361-L579 HydrophobicContact CG-CD2 3.98Å
362	N	69.4	Low	73.6	Confident	127 Å²	127	68.9 Å²	68.9	68%	0.679	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	3.4	179.7	-62.8	-35.1	0	0	0	113.7	D358 I360 S364	D358-N362 VanDerWaalsContact O-CB 3.26Å; D358-N362 WeakPolarHBondContact O-CB 3.47Å; D358-N362 PolarHBondContact O-N 2.89Å; D358-N362 PolarHBondContact O-ND2 3.33Å; I360-N362 PolarHBondContact O-N 3.43Å; N362-S364 VanDerWaalsContact C-N 3.27Å; N362-S364 PolarHBondContact O-N 3.49Å
363	R	68.2	Low	74.1	Confident	129 Å²	129	73.3 Å²	73.3	49%	0.487	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	47	-175	-63.4	-171.8	178.8	-175.6	0.4	113.3	D359 I360 K361 P365 E572 E574	D359-R363 PolarHBondContact O-N 2.99Å; I360-R363 PolarHBondContact O-N 3.02Å; K361-R363 VanDerWaalsContact C-N 3.3Å; K361-R363 PolarHBondContact O-N 3.35Å; R363-P365 WeakPolarHBondContact O-CD 2.98Å; R363-P365 VanDerWaalsContact O-N 3.17Å; R363-E572 PolarHBondContact NH1-O 3.49Å; R363-E572 VanDerWaalsContact NH1-O 3.11Å; R363-E574 PolarHBondContact NH1-O 3.18Å; R363-E574 PolarHBondContact NH2-O 3.14Å
364	S	70.3	Confident	74.6	Confident	25 Å²	25	71 Å²	71	18%	0.175	37%	0.365	C	S	.	.			trans	-55.8	115.5	-177.8	175.9	0	0	0	0	111.3	D359 N362 E366 Y367 A368	D359-S364 WeakPolarHBondContact O-CB 3.34Å; D359-S364 PolarHBondContact O-N 3.16Å; D359-S364 VanDerWaalsContact OD1-CB 3.24Å; D359-S364 WeakPolarHBondContact OD1-CB 3.26Å; D359-S364 PolarHBondContact OD1-OG 2.88Å; D359-S364 VanDerWaalsContact OD1-OG 3.09Å; N362-S364 VanDerWaalsContact C-N 3.27Å; N362-S364 PolarHBondContact O-N 3.49Å; S364-E366 VanDerWaalsContact C-N 3.31Å; S364-E366 PolarHBondContact O-N 2.96Å; S364-Y367 WeakPolarHBondContact O-CB 3.36Å; S364-Y367 PolarHBondContact O-N 2.97Å; S364-Y367 VanDerWaalsContact O-N 3.08Å; S364-A368 PolarHBondContact O-N 3.32Å
365	P	73.3	Confident	75.3	Confident	100 Å²	100	68 Å²	68	65%	0.649	35%	0.346	S	S	*	.	H	α-helix	trans	-69.5	-28.1	-171.7	25.7	-34.1	0	0	0	112.6	R363 T369	R363-P365 WeakPolarHBondContact O-CD 2.98Å; R363-P365 VanDerWaalsContact O-N 3.17Å; P365-T369 VanDerWaalsContact O-CB 3.32Å; P365-T369 WeakPolarHBondContact O-CB 3.28Å; P365-T369 PolarHBondContact O-N 2.91Å; P365-T369 PolarHBondContact O-OG1 3.31Å
366	E	76.9	Confident	76.1	Confident	122 Å²	122	65.3 Å²	65.3	57%	0.57	33%	0.33	S	S	*	.	H	α-helix	trans	-65.1	-42.7	170.1	-76.8	-157.1	-159.1	0	0	111.9	S364 R370	S364-E366 VanDerWaalsContact C-N 3.31Å; S364-E366 PolarHBondContact O-N 2.96Å; E366-R370 WeakPolarHBondContact O-CB 3.48Å; E366-R370 WeakPolarHBondContact O-CD 3.04Å; E366-R370 WeakPolarHBondContact O-CG 3.49Å; E366-R370 PolarHBondContact O-N 3.39Å; E366-R370 IonicContact OE2-CZ 2.73Å; E366-R370 IonicContact OE2-NE 2.83Å; E366-R370 IonicContact OE2-NH2 2.77Å; E366-R370 PolarHBondContact OE2-NH2 2.79Å
367	Y	78.3	Confident	76.9	Confident	14 Å²	14	65 Å²	65	6%	0.055	33%	0.33	C	S	.	.	H	α-helix	trans	-65.8	-47.3	177.8	174.2	-89.5	0	0	0	111.2	Y351 F356 D359 I360 S364 T369 R370 I371	Y351-Y367 HydrophobicContact CD1-CE2 4.35Å; Y351-Y367 PolarHBondContact O-OH 3.32Å; Y351-Y367 VanDerWaalsContact O-OH 3.11Å; F356-Y367 HydrophobicContact CB-CD2 4.09Å; F356-Y367 HydrophobicContact CB-CE2 3.48Å; F356-Y367 VanDerWaalsContact CB-CE2 3.48Å; F356-Y367 AromaticContact CD1-CD2 3.93Å; F356-Y367 HydrophobicContact CD1-CD2 3.93Å; F356-Y367 HydrophobicContact CD1-CE2 4.01Å; F356-Y367 HydrophobicContact CG-CD2 4.18Å; F356-Y367 AromaticContact CG-CE2 3.77Å; F356-Y367 HydrophobicContact CG-CE2 3.77Å; D359-Y367 HydrophobicContact CB-CD2 4.1Å; D359-Y367 HydrophobicContact CB-CG 4Å; I360-Y367 HydrophobicContact CD1-CE1 4.24Å; I360-Y367 WeakPolarHBondContact CD1-OH 3.38Å; I360-Y367 HydrophobicContact CG1-CD1 4.27Å; I360-Y367 HydrophobicContact CG1-CE1 3.43Å; I360-Y367 VanDerWaalsContact CG1-CE1 3.43Å; I360-Y367 WeakPolarHBondContact CG1-OH 3.17Å; S364-Y367 WeakPolarHBondContact O-CB 3.36Å; S364-Y367 PolarHBondContact O-N 2.97Å; S364-Y367 VanDerWaalsContact O-N 3.08Å; Y367-T369 VanDerWaalsContact C-N 3.35Å; Y367-T369 PolarHBondContact O-N 2.91Å; Y367-R370 PolarHBondContact O-N 2.99Å; Y367-I371 HydrophobicContact CE1-CD1 3.72Å; Y367-I371 HydrophobicContact CE1-CG1 4.18Å; Y367-I371 HydrophobicContact CE2-CD1 4.07Å; Y367-I371 HydrophobicContact CE2-CG1 4.31Å; Y367-I371 PolarHBondContact O-N 3.4Å; Y367-I371 WeakPolarHBondContact OH-CD1 3.34Å
368	A	75.6	Confident	77.8	Confident	24 Å²	24	61.4 Å²	61.4	20%	0.198	31%	0.314	C	S	.	.	H	α-helix	trans	-57.1	-47.3	176.5	0	0	0	0	0	111.4	S364 R370 I371 T372	S364-A368 PolarHBondContact O-N 3.32Å; A368-R370 PolarHBondContact O-N 3.05Å; A368-I371 PolarHBondContact O-N 3.29Å; A368-T372 WeakPolarHBondContact O-CB 3.25Å; A368-T372 PolarHBondContact O-N 3.01Å; A368-T372 PolarHBondContact O-OG1 3.13Å
369	T	80.4	Confident	78.8	Confident	84 Å²	84	57.9 Å²	57.9	52%	0.515	30%	0.295	S	S	.	.	H	α-helix	trans	-58.6	-46.9	175.9	-57.4	0	0	0	0	111.7	P365 Y367 T372 I373	P365-T369 VanDerWaalsContact O-CB 3.32Å; P365-T369 WeakPolarHBondContact O-CB 3.28Å; P365-T369 PolarHBondContact O-N 2.91Å; P365-T369 PolarHBondContact O-OG1 3.31Å; Y367-T369 VanDerWaalsContact C-N 3.35Å; Y367-T369 PolarHBondContact O-N 2.91Å; T369-T372 PolarHBondContact O-N 3.5Å; T369-I373 HydrophobicContact CG2-CD1 4.18Å; T369-I373 WeakPolarHBondContact O-CG1 3.48Å; T369-I373 PolarHBondContact O-N 3.23Å; T369-I373 VanDerWaalsContact O-N 3.12Å
370	R	81.9	Confident	79.7	Confident	124 Å²	124	59.9 Å²	59.9	47%	0.468	30%	0.302	S	S	.	.	H	α-helix	trans	-64.5	-42.3	-179.4	-70.4	168.7	-164.7	-146.5	10.5	112.2	Y351 E366 Y367 A368 Q374	Y351-R370 HydrophobicContact CE1-CB 3.95Å; E366-R370 WeakPolarHBondContact O-CB 3.48Å; E366-R370 WeakPolarHBondContact O-CD 3.04Å; E366-R370 WeakPolarHBondContact O-CG 3.49Å; E366-R370 PolarHBondContact O-N 3.39Å; E366-R370 IonicContact OE2-CZ 2.73Å; E366-R370 IonicContact OE2-NE 2.83Å; E366-R370 IonicContact OE2-NH2 2.77Å; E366-R370 PolarHBondContact OE2-NH2 2.79Å; Y367-R370 PolarHBondContact O-N 2.99Å; A368-R370 PolarHBondContact O-N 3.05Å; R370-Q374 PolarHBondContact O-N 2.78Å
371	I	82.3	Confident	80.8	Confident	4 Å²	4	59 Å²	59	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-67.3	-45.5	174.4	-79	-156.6	0	0	0	111.5	L348 Y351 Y367 A368 I373 Q374 L375 L569	L348-I371 HydrophobicContact CD1-CD1 4.4Å; L348-I371 HydrophobicContact CD1-CG1 4.45Å; L348-I371 HydrophobicContact CD1-CG2 4.21Å; Y351-I371 HydrophobicContact CD1-CG1 4.37Å; Y351-I371 HydrophobicContact CG-CG1 3.98Å; Y367-I371 HydrophobicContact CE1-CD1 3.72Å; Y367-I371 HydrophobicContact CE1-CG1 4.18Å; Y367-I371 HydrophobicContact CE2-CD1 4.07Å; Y367-I371 HydrophobicContact CE2-CG1 4.31Å; Y367-I371 PolarHBondContact O-N 3.4Å; Y367-I371 WeakPolarHBondContact OH-CD1 3.34Å; A368-I371 PolarHBondContact O-N 3.29Å; I371-I373 PolarHBondContact O-N 3.48Å; I371-Q374 PolarHBondContact O-N 3.06Å; I371-L375 HydrophobicContact CG2-CD1 3.47Å; I371-L375 VanDerWaalsContact CG2-CD1 3.47Å; I371-L375 HydrophobicContact CG2-CG 3.76Å; I371-L375 WeakPolarHBondContact O-CG 3.46Å; I371-L375 PolarHBondContact O-N 3.38Å; I371-L569 HydrophobicContact CG2-CD1 3.45Å; I371-L569 VanDerWaalsContact CG2-CD1 3.45Å
372	T	82.8	Confident	81.6	Confident	25 Å²	25	54.4 Å²	54.4	15%	0.153	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-29.9	-178.7	-72	0	0	0	0	112	A368 T369 T376 K566 N570	A368-T372 WeakPolarHBondContact O-CB 3.25Å; A368-T372 PolarHBondContact O-N 3.01Å; A368-T372 PolarHBondContact O-OG1 3.13Å; T369-T372 PolarHBondContact O-N 3.5Å; T372-T376 WeakPolarHBondContact O-CB 3.27Å; T372-T376 PolarHBondContact O-N 2.79Å; T372-T376 VanDerWaalsContact O-N 3.1Å; T372-T376 PolarHBondContact O-OG1 3.39Å; T372-K566 HydrophobicContact CG2-CG 4.37Å; T372-N570 PolarHBondContact OG1-OD1 2.81Å
373	I	84.9	Confident	82.5	Confident	101 Å²	101	51.8 Å²	51.8	52%	0.518	26%	0.262	S	S	.	.	H	α-helix	trans	-64.6	-51.3	168.3	-67.9	164.2	0	0	0	111.4	T369 I371 L375 T376 D377	T369-I373 HydrophobicContact CG2-CD1 4.18Å; T369-I373 WeakPolarHBondContact O-CG1 3.48Å; T369-I373 PolarHBondContact O-N 3.23Å; T369-I373 VanDerWaalsContact O-N 3.12Å; I371-I373 PolarHBondContact O-N 3.48Å; I373-L375 PolarHBondContact O-N 3.42Å; I373-T376 PolarHBondContact O-N 2.82Å; I373-D377 PolarHBondContact O-N 3.35Å
374	Q	85.3	Confident	83.4	Confident	34 Å²	34	51 Å²	51	16%	0.159	26%	0.262	C	S	.	.	H	α-helix	trans	-62.2	-43.2	179.3	-62.4	-55.7	-58.5	0	0	112.5	K347 L348 Y351 R370 I371 T376 D377 I378	K347-Q374 VanDerWaalsContact CB-OE1 3.3Å; L348-Q374 HydrophobicContact CD1-CB 4.02Å; Y351-Q374 HydrophobicContact CD2-CG 4.24Å; Y351-Q374 HydrophobicContact CE2-CG 3.84Å; R370-Q374 PolarHBondContact O-N 2.78Å; I371-Q374 PolarHBondContact O-N 3.06Å; Q374-T376 VanDerWaalsContact C-N 3.26Å; Q374-T376 PolarHBondContact O-N 3.06Å; Q374-D377 PolarHBondContact O-N 3.42Å; Q374-I378 WeakPolarHBondContact O-CG1 3.39Å; Q374-I378 PolarHBondContact O-N 2.97Å
375	L	85.8	Confident	84.1	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-34.7	176.1	-65.5	174.4	0	0	0	111.4	L348 I371 I373 I378 L379 I562 L565 K566 L569	L348-L375 HydrophobicContact CD1-CD2 3.85Å; L348-L375 HydrophobicContact CD1-CG 4.19Å; L348-L375 HydrophobicContact CD2-CD2 3.67Å; L348-L375 HydrophobicContact CG-CD2 4.44Å; I371-L375 HydrophobicContact CG2-CD1 3.47Å; I371-L375 VanDerWaalsContact CG2-CD1 3.47Å; I371-L375 HydrophobicContact CG2-CG 3.76Å; I371-L375 WeakPolarHBondContact O-CG 3.46Å; I371-L375 PolarHBondContact O-N 3.38Å; I373-L375 PolarHBondContact O-N 3.42Å; L375-I378 PolarHBondContact O-N 2.79Å; L375-L379 WeakPolarHBondContact O-CB 3.33Å; L375-L379 VanDerWaalsContact O-CG 3.26Å; L375-L379 WeakPolarHBondContact O-CG 3.41Å; L375-L379 PolarHBondContact O-N 3.03Å; L375-I562 HydrophobicContact CB-CG2 4.29Å; L375-I562 HydrophobicContact CD2-CG2 3.94Å; L375-L565 HydrophobicContact CD1-CB 4.42Å; L375-K566 HydrophobicContact CB-CB 4.41Å; L375-K566 HydrophobicContact CD1-CB 3.98Å; L375-L569 HydrophobicContact CD1-CD1 3.62Å
376	T	87.8	Confident	84.7	Confident	42 Å²	42	47.7 Å²	47.7	26%	0.258	24%	0.237	S	C	.	.	H	α-helix	trans	-71.8	-39.8	177.6	-56.1	0	0	0	0	112.2	T372 I373 Q374 I378 L379 E380 K566	T372-T376 WeakPolarHBondContact O-CB 3.27Å; T372-T376 PolarHBondContact O-N 2.79Å; T372-T376 VanDerWaalsContact O-N 3.1Å; T372-T376 PolarHBondContact O-OG1 3.39Å; I373-T376 PolarHBondContact O-N 2.82Å; Q374-T376 VanDerWaalsContact C-N 3.26Å; Q374-T376 PolarHBondContact O-N 3.06Å; T376-I378 VanDerWaalsContact C-N 3.33Å; T376-I378 PolarHBondContact O-N 2.87Å; T376-L379 PolarHBondContact O-N 2.86Å; T376-E380 PolarHBondContact O-N 3.14Å; T376-K566 PolarHBondContact OG1-NZ 3.44Å
377	D	88.4	Confident	85	Confident	49 Å²	49	47.6 Å²	47.6	26%	0.262	24%	0.24	S	C	.	.	H	α-helix	trans	-64.1	-37.5	172.5	-174.3	29.5	0	0	0	111.6	K344 I373 Q374 T381	K344-D377 VanDerWaalsContact CD-OD2 3.31Å; K344-D377 WeakPolarHBondContact CD-OD2 3.48Å; K344-D377 WeakPolarHBondContact CE-OD1 3.48Å; K344-D377 VanDerWaalsContact CE-OD2 3.3Å; K344-D377 WeakPolarHBondContact CE-OD2 3.45Å; K344-D377 IonicContact NZ-OD1 3.68Å; K344-D377 PolarHBondContact NZ-OD1 3.28Å; K344-D377 IonicContact NZ-OD2 3.8Å; I373-D377 PolarHBondContact O-N 3.35Å; Q374-D377 PolarHBondContact O-N 3.42Å; D377-T381 WeakPolarHBondContact O-CB 3.34Å; D377-T381 PolarHBondContact O-N 3.19Å; D377-T381 VanDerWaalsContact O-N 3.09Å; D377-T381 PolarHBondContact O-OG1 2.85Å
378	I	88.6	Confident	85.2	Confident	1 Å²	1	50 Å²	50	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-63.9	-48.4	172.5	-69.4	167.1	0	0	0	111.2	L341 K344 I345 L348 Q374 L375 T376 T381 A382 F558 I562	L341-I378 HydrophobicContact CD1-CG2 4.1Å; K344-I378 HydrophobicContact CB-CG1 3.77Å; I345-I378 HydrophobicContact CG1-CD1 4.42Å; L348-I378 HydrophobicContact CB-CD1 3.86Å; L348-I378 HydrophobicContact CD2-CD1 3.82Å; L348-I378 HydrophobicContact CG-CD1 4.35Å; Q374-I378 WeakPolarHBondContact O-CG1 3.39Å; Q374-I378 PolarHBondContact O-N 2.97Å; L375-I378 PolarHBondContact O-N 2.79Å; T376-I378 VanDerWaalsContact C-N 3.33Å; T376-I378 PolarHBondContact O-N 2.87Å; I378-T381 PolarHBondContact O-N 3.25Å; I378-A382 WeakPolarHBondContact O-CB 3.47Å; I378-A382 PolarHBondContact O-N 2.61Å; I378-F558 HydrophobicContact CG2-CE1 3.86Å; I378-F558 HydrophobicContact CG2-CZ 3.96Å; I378-I562 HydrophobicContact CG2-CD1 4.5Å; I378-I562 HydrophobicContact CG2-CG1 4.16Å; I378-I562 HydrophobicContact CG2-CG2 4.1Å
379	L	88.6	Confident	85.5	Confident	24 Å²	24	49.3 Å²	49.3	13%	0.126	24%	0.244	C	C	.	.	H	α-helix	trans	-58.9	-49.8	178	-76	168.6	0	0	0	111.7	L375 T376 T381 A382 Q383 L559 I562 E563 K566	L375-L379 WeakPolarHBondContact O-CB 3.33Å; L375-L379 VanDerWaalsContact O-CG 3.26Å; L375-L379 WeakPolarHBondContact O-CG 3.41Å; L375-L379 PolarHBondContact O-N 3.03Å; T376-L379 PolarHBondContact O-N 2.86Å; L379-T381 PolarHBondContact O-N 3.44Å; L379-A382 PolarHBondContact O-N 2.72Å; L379-Q383 VanDerWaalsContact O-CB 3.26Å; L379-Q383 WeakPolarHBondContact O-CB 3.47Å; L379-Q383 PolarHBondContact O-N 3.24Å; L379-L559 HydrophobicContact CD2-CD2 3.95Å; L379-I562 HydrophobicContact CD1-CG2 4.29Å; L379-I562 HydrophobicContact CD2-CB 3.81Å; L379-I562 HydrophobicContact CD2-CG2 3.73Å; L379-I562 HydrophobicContact CG-CB 4.3Å; L379-I562 HydrophobicContact CG-CG2 3.63Å; L379-E563 HydrophobicContact CD1-CG 4.39Å; L379-E563 HydrophobicContact CD2-CG 3.67Å; L379-K566 HydrophobicContact CD1-CD 3.83Å
380	E	89.4	Confident	85.1	Confident	100 Å²	100	51 Å²	51	47%	0.467	25%	0.25	S	C	.	.	H	α-helix	trans	-56.9	-37.4	176.2	-86.4	-163.8	-140.2	0	0	112.4	T376 K384	T376-E380 PolarHBondContact O-N 3.14Å; E380-K384 WeakPolarHBondContact O-CB 3.15Å; E380-K384 WeakPolarHBondContact O-CD 3.18Å; E380-K384 WeakPolarHBondContact O-CG 3.36Å; E380-K384 PolarHBondContact O-N 3.26Å; E380-K384 IonicContact OE2-NZ 3.18Å; E380-K384 PolarHBondContact OE2-NZ 2.71Å
381	T	88.6	Confident	84.9	Confident	12 Å²	12	51.4 Å²	51.4	7%	0.074	26%	0.257	C	S	.	.	H	α-helix	trans	-76.4	-44.3	-177.4	-53.6	0	0	0	0	111.7	D340 L341 K344 D377 I378 L379 Q383 K384 L385	D340-T381 WeakPolarHBondContact OD2-CG2 3.26Å; L341-T381 HydrophobicContact CB-CG2 4.23Å; L341-T381 HydrophobicContact CD1-CG2 4.15Å; K344-T381 HydrophobicContact CD-CG2 4.13Å; K344-T381 VanDerWaalsContact CD-OG1 3.24Å; K344-T381 WeakPolarHBondContact CD-OG1 3.37Å; K344-T381 PolarHBondContact NZ-OG1 3.09Å; D377-T381 WeakPolarHBondContact O-CB 3.34Å; D377-T381 PolarHBondContact O-N 3.19Å; D377-T381 VanDerWaalsContact O-N 3.09Å; D377-T381 PolarHBondContact O-OG1 2.85Å; I378-T381 PolarHBondContact O-N 3.25Å; L379-T381 PolarHBondContact O-N 3.44Å; T381-Q383 VanDerWaalsContact C-N 3.29Å; T381-Q383 PolarHBondContact O-N 2.99Å; T381-K384 PolarHBondContact O-N 2.8Å; T381-L385 PolarHBondContact O-N 3Å
382	A	87	Confident	84.7	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-34.3	173.9	0	0	0	0	0	111.7	L341 I378 L379 L385 L386 F558 L559	L341-A382 HydrophobicContact CD1-CB 4.08Å; L341-A382 HydrophobicContact CD2-CB 4.28Å; I378-A382 WeakPolarHBondContact O-CB 3.47Å; I378-A382 PolarHBondContact O-N 2.61Å; L379-A382 PolarHBondContact O-N 2.72Å; A382-L385 PolarHBondContact O-N 3.36Å; A382-L386 WeakPolarHBondContact O-CB 3.49Å; A382-L386 PolarHBondContact O-N 3.06Å; A382-F558 HydrophobicContact CB-CD1 4.09Å; A382-F558 HydrophobicContact CB-CE1 4.11Å; A382-L559 HydrophobicContact CB-CD2 3.57Å; A382-L559 HydrophobicContact CB-CG 3.86Å
383	Q	87.9	Confident	84.7	Confident	73 Å²	73	51.4 Å²	51.4	34%	0.341	26%	0.256	S	S	.	.	H	α-helix	trans	-71.8	-39.8	174.6	-164.9	67	52.9	0	0	112	L379 T381 L385 L386 N387 L559	L379-Q383 VanDerWaalsContact O-CB 3.26Å; L379-Q383 WeakPolarHBondContact O-CB 3.47Å; L379-Q383 PolarHBondContact O-N 3.24Å; T381-Q383 VanDerWaalsContact C-N 3.29Å; T381-Q383 PolarHBondContact O-N 2.99Å; Q383-L385 VanDerWaalsContact C-N 3.28Å; Q383-L385 PolarHBondContact O-N 2.64Å; Q383-L386 PolarHBondContact O-N 3.06Å; Q383-N387 PolarHBondContact NE2-OD1 2.91Å; Q383-N387 WeakPolarHBondContact O-CB 3.31Å; Q383-N387 PolarHBondContact O-N 3.15Å; Q383-N387 PolarHBondContact O-OD1 3.46Å; Q383-L559 HydrophobicContact CB-CD2 4.36Å
384	K	87.2	Confident	84.4	Confident	111 Å²	111	48.7 Å²	48.7	48%	0.483	24%	0.244	S	C	.	.	H	α-helix	trans	-63.1	-34	172.7	-74.3	159.9	-162.8	165.7	0	112.1	E380 T381	E380-K384 WeakPolarHBondContact O-CB 3.15Å; E380-K384 WeakPolarHBondContact O-CD 3.18Å; E380-K384 WeakPolarHBondContact O-CG 3.36Å; E380-K384 PolarHBondContact O-N 3.26Å; E380-K384 IonicContact OE2-NZ 3.18Å; E380-K384 PolarHBondContact OE2-NZ 2.71Å; T381-K384 PolarHBondContact O-N 2.8Å
385	L	85.8	Confident	84.2	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-70	-50.4	171.4	175.9	58.6	0	0	0	111.4	L338 L341 T381 A382 Q383 N387 K388 I389 L392 I555	L338-L385 HydrophobicContact CD2-CD2 3.85Å; L341-L385 HydrophobicContact CD2-CD2 4.23Å; T381-L385 PolarHBondContact O-N 3Å; A382-L385 PolarHBondContact O-N 3.36Å; Q383-L385 VanDerWaalsContact C-N 3.28Å; Q383-L385 PolarHBondContact O-N 2.64Å; L385-N387 VanDerWaalsContact C-N 3.29Å; L385-N387 PolarHBondContact O-N 3.49Å; L385-K388 CarbonylContact O-C 3.59Å; L385-K388 WeakPolarHBondContact O-CA 3.41Å; L385-K388 PolarHBondContact O-N 2.84Å; L385-I389 PolarHBondContact O-N 3.09Å; L385-L392 HydrophobicContact CD1-CD1 4.08Å; L385-I555 HydrophobicContact CD2-CD1 3.68Å; L385-I555 HydrophobicContact CD2-CG1 4.39Å; L385-I555 HydrophobicContact CG-CD1 3.95Å
386	L	85	Confident	83.8	Confident	53 Å²	53	52.4 Å²	52.4	28%	0.277	26%	0.261	S	S	.	.	H	α-helix	trans	-53.8	-46.6	178.2	-168.3	87.1	0	0	0	111.3	A382 Q383 K388 I389 I555 L559	A382-L386 WeakPolarHBondContact O-CB 3.49Å; A382-L386 PolarHBondContact O-N 3.06Å; Q383-L386 PolarHBondContact O-N 3.06Å; L386-K388 PolarHBondContact O-N 2.94Å; L386-K388 VanDerWaalsContact O-N 3.12Å; L386-I389 HydrophobicContact CD1-CD1 3.89Å; L386-I389 HydrophobicContact CG-CD1 4.47Å; L386-I389 WeakPolarHBondContact O-CB 3.42Å; L386-I389 PolarHBondContact O-N 2.81Å; L386-I555 HydrophobicContact CB-CG2 4.08Å; L386-I555 HydrophobicContact CD1-CB 4.13Å; L386-I555 HydrophobicContact CD1-CG2 3.73Å; L386-L559 HydrophobicContact CB-CD1 4.1Å; L386-L559 HydrophobicContact CD1-CD1 4.33Å; L386-L559 HydrophobicContact CD2-CD1 3.91Å; L386-L559 HydrophobicContact CG-CD1 4.34Å
387	N	83.4	Confident	83.2	Confident	120 Å²	120	52 Å²	52	64%	0.642	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-7.1	178.5	-63.4	5.8	0	0	0	113.9	Q383 L385	Q383-N387 PolarHBondContact NE2-OD1 2.91Å; Q383-N387 WeakPolarHBondContact O-CB 3.31Å; Q383-N387 PolarHBondContact O-N 3.15Å; Q383-N387 PolarHBondContact O-OD1 3.46Å; L385-N387 VanDerWaalsContact C-N 3.29Å; L385-N387 PolarHBondContact O-N 3.49Å
388	K	83.1	Confident	82.2	Confident	64 Å²	64	51.8 Å²	51.8	28%	0.278	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-1.5	177.3	-82.4	-178.8	157.8	-77.5	0	113.6	Y337 L385 L386 D390 E391 L392	Y337-K388 HydrophobicContact CE1-CD 3.78Å; Y337-K388 PolarHBondContact OH-NZ 2.84Å; L385-K388 CarbonylContact O-C 3.59Å; L385-K388 WeakPolarHBondContact O-CA 3.41Å; L385-K388 PolarHBondContact O-N 2.84Å; L386-K388 PolarHBondContact O-N 2.94Å; L386-K388 VanDerWaalsContact O-N 3.12Å; K388-D390 VanDerWaalsContact C-N 3.34Å; K388-D390 PolarHBondContact O-N 3.05Å; K388-E391 IonicContact NZ-OE2 3.59Å; K388-E391 PolarHBondContact NZ-OE2 3.28Å; K388-E391 PolarHBondContact O-N 3.33Å; K388-E391 VanDerWaalsContact O-N 3.17Å; K388-L392 HydrophobicContact CB-CD1 3.94Å; K388-L392 HydrophobicContact CB-CG 4.35Å; K388-L392 WeakPolarHBondContact O-CB 3.38Å; K388-L392 VanDerWaalsContact O-CG 3.32Å; K388-L392 WeakPolarHBondContact O-CG 3.36Å; K388-L392 PolarHBondContact O-N 3.19Å
389	I	80.7	Confident	81.2	Confident	10 Å²	10	55.9 Å²	55.9	5%	0.051	28%	0.276	C	S	.	.	H	α-helix	trans	-52.9	-51.3	-179.6	-82.7	176.3	0	0	0	111.1	L385 L386 E391 L392 W393 N551 I555	L385-I389 PolarHBondContact O-N 3.09Å; L386-I389 HydrophobicContact CD1-CD1 3.89Å; L386-I389 HydrophobicContact CG-CD1 4.47Å; L386-I389 WeakPolarHBondContact O-CB 3.42Å; L386-I389 PolarHBondContact O-N 2.81Å; I389-E391 VanDerWaalsContact C-N 3.31Å; I389-E391 PolarHBondContact O-N 3.36Å; I389-L392 PolarHBondContact O-N 3.43Å; I389-L392 VanDerWaalsContact O-N 3.17Å; I389-W393 HydrophobicContact CB-CE3 4.26Å; I389-W393 HydrophobicContact CD1-CE3 4.44Å; I389-W393 HydrophobicContact CD1-CZ3 3.91Å; I389-W393 HydrophobicContact CG1-CE3 3.95Å; I389-W393 HydrophobicContact CG1-CH2 4.25Å; I389-W393 HydrophobicContact CG1-CZ3 3.77Å; I389-W393 HydrophobicContact CG2-CD2 4.46Å; I389-W393 HydrophobicContact CG2-CE3 3.71Å; I389-W393 HydrophobicContact CG2-CZ3 4.22Å; I389-W393 VanDerWaalsContact O-CB 3.31Å; I389-W393 WeakPolarHBondContact O-CB 3.47Å; I389-W393 PolarHBondContact O-N 3.41Å; I389-N551 WeakPolarHBondContact CG2-OD1 3.4Å; I389-I555 HydrophobicContact CD1-CB 4.38Å; I389-I555 HydrophobicContact CD1-CD1 3.79Å; I389-I555 HydrophobicContact CG1-CD1 4.33Å
390	D	72.5	Confident	80.4	Confident	120 Å²	120	54.8 Å²	54.8	64%	0.642	27%	0.27	S	S	*	.	H	α-helix	trans	-64.2	-35.3	-177.8	-61	-44.5	0	0	0	112.5	K388 T394	K388-D390 VanDerWaalsContact C-N 3.34Å; K388-D390 PolarHBondContact O-N 3.05Å; D390-T394 WeakPolarHBondContact O-CB 3.13Å; D390-T394 WeakPolarHBondContact O-CG2 3.44Å; D390-T394 PolarHBondContact O-N 2.79Å; D390-T394 PolarHBondContact O-OG1 3.18Å
391	E	77.4	Confident	79.4	Confident	132 Å²	132	50.7 Å²	50.7	62%	0.617	25%	0.251	S	S	*	.	H	α-helix	trans	-70.9	-32.1	176.7	-173.8	-175.6	-144.3	0	0	112.6	K388 I389	K388-E391 IonicContact NZ-OE2 3.59Å; K388-E391 PolarHBondContact NZ-OE2 3.28Å; K388-E391 PolarHBondContact O-N 3.33Å; K388-E391 VanDerWaalsContact O-N 3.17Å; I389-E391 VanDerWaalsContact C-N 3.31Å; I389-E391 PolarHBondContact O-N 3.36Å
392	L	77.5	Confident	78.2	Confident	23 Å²	23	54.6 Å²	54.6	12%	0.12	27%	0.272	C	S	.	.	H	α-helix	trans	-90.5	-32.1	-177.1	-68.1	169.4	0	0	0	113.3	Y337 L385 K388 I389	Y337-L392 HydrophobicContact CD2-CD1 3.68Å; Y337-L392 HydrophobicContact CD2-CD2 4.15Å; Y337-L392 HydrophobicContact CE2-CD1 3.87Å; Y337-L392 HydrophobicContact CE2-CD2 3.71Å; Y337-L392 HydrophobicContact CE2-CG 4.41Å; Y337-L392 HydrophobicContact CG-CD1 4.32Å; L385-L392 HydrophobicContact CD1-CD1 4.08Å; K388-L392 HydrophobicContact CB-CD1 3.94Å; K388-L392 HydrophobicContact CB-CG 4.35Å; K388-L392 WeakPolarHBondContact O-CB 3.38Å; K388-L392 VanDerWaalsContact O-CG 3.32Å; K388-L392 WeakPolarHBondContact O-CG 3.36Å; K388-L392 PolarHBondContact O-N 3.19Å; I389-L392 PolarHBondContact O-N 3.43Å; I389-L392 VanDerWaalsContact O-N 3.17Å
393	W	82.8	Confident	77	Confident	6 Å²	6	58 Å²	58	2%	0.023	29%	0.288	C	S	.	.	H	α-helix	trans	-117.2	5	-166.5	-62.8	-15.2	0	0	0	114.1	S334 I389 L480 L547 L550 N551 I555	S334-W393 PolarHBondContact OG-NE1 3.36Å; I389-W393 HydrophobicContact CB-CE3 4.26Å; I389-W393 HydrophobicContact CD1-CE3 4.44Å; I389-W393 HydrophobicContact CD1-CZ3 3.91Å; I389-W393 HydrophobicContact CG1-CE3 3.95Å; I389-W393 HydrophobicContact CG1-CH2 4.25Å; I389-W393 HydrophobicContact CG1-CZ3 3.77Å; I389-W393 HydrophobicContact CG2-CD2 4.46Å; I389-W393 HydrophobicContact CG2-CE3 3.71Å; I389-W393 HydrophobicContact CG2-CZ3 4.22Å; I389-W393 VanDerWaalsContact O-CB 3.31Å; I389-W393 WeakPolarHBondContact O-CB 3.47Å; I389-W393 PolarHBondContact O-N 3.41Å; W393-L480 HydrophobicContact CB-CD1 3.91Å; W393-L480 HydrophobicContact CB-CD2 3.84Å; W393-L480 HydrophobicContact CB-CG 3.82Å; W393-L480 HydrophobicContact CD2-CD1 4.03Å; W393-L480 HydrophobicContact CE3-CD1 3.98Å; W393-L480 HydrophobicContact CG-CD1 3.99Å; W393-L480 HydrophobicContact CG-CD2 4.09Å; W393-L480 HydrophobicContact CG-CG 4.3Å; W393-L480 PolarHBondContact O-N 2.96Å; W393-L547 HydrophobicContact CH2-CD2 4.3Å; W393-L547 HydrophobicContact CZ2-CD2 3.57Å; W393-L550 HydrophobicContact CH2-CB 3.89Å; W393-L550 HydrophobicContact CZ3-CB 4.34Å; W393-N551 HydrophobicContact CE3-CB 3.81Å; W393-N551 HydrophobicContact CZ3-CB 3.71Å; W393-I555 HydrophobicContact CH2-CD1 3.53Å; W393-I555 HydrophobicContact CZ2-CD1 4.49Å; W393-I555 HydrophobicContact CZ3-CD1 4.09Å
394	T	79.5	Confident	75.8	Confident	44 Å²	44	55 Å²	55	27%	0.27	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	142.8	157.6	73.6	0	0	0	0	110.5	D390 I478	D390-T394 WeakPolarHBondContact O-CB 3.13Å; D390-T394 WeakPolarHBondContact O-CG2 3.44Å; D390-T394 PolarHBondContact O-N 2.79Å; D390-T394 PolarHBondContact O-OG1 3.18Å; T394-I478 CarbonylContact C-O 3.59Å; T394-I478 WeakPolarHBondContact CA-O 3.36Å
395	V	80.5	Confident	74.2	Confident	14 Å²	14	52 Å²	52	9%	0.085	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132	178.8	-176.4	0	0	0	0	108.9	I330 K397 L400 I478 L483	I330-V395 HydrophobicContact CD1-CG2 3.52Å; I330-V395 HydrophobicContact CG1-CG2 4.18Å; V395-K397 PolarHBondContact O-N 2.86Å; V395-L400 HydrophobicContact CG1-CB 3.98Å; V395-I478 PolarHBondContact N-O 3.29Å; V395-I478 WeakPolarHBondContact O-CB 3.44Å; V395-I478 PolarHBondContact O-N 2.89Å; V395-L483 HydrophobicContact CG2-CD1 4.04Å
396	K	78.1	Confident	72.6	Confident	99 Å²	99	52.6 Å²	52.6	43%	0.43	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128.4	176.4	-71.7	167.8	-176.9	164.1	0	109.5	C398 E399 L400 F476 E477	K396-C398 PolarHBondContact O-N 3.18Å; K396-C398 VanDerWaalsContact O-N 3.16Å; K396-E399 HydrophobicContact CB-CB 4.09Å; K396-E399 WeakPolarHBondContact O-CA 3.46Å; K396-E399 WeakPolarHBondContact O-CB 3.02Å; K396-E399 PolarHBondContact O-N 3.31Å; K396-L400 PolarHBondContact O-N 3.45Å; K396-F476 HydrophobicContact CB-CE1 4.28Å; K396-F476 HydrophobicContact CD-CE1 4.19Å; K396-F476 HydrophobicContact CG-CD1 4.45Å; K396-F476 HydrophobicContact CG-CE1 3.94Å; K396-E477 HydrophobicContact CG-CG 4.3Å
397	K	76	Confident	70.6	Confident	34 Å²	34	54.8 Å²	54.8	15%	0.148	29%	0.29	C	S	.	.	H	α-helix	trans	-54.5	-37.9	-177.2	174.4	166.5	167.1	165.3	0	112.4	V395 I401 L470 Y471 I473 F476 I478	V395-K397 PolarHBondContact O-N 2.86Å; K397-I401 HydrophobicContact CG-CD1 3.81Å; K397-I401 VanDerWaalsContact O-CB 3.28Å; K397-I401 WeakPolarHBondContact O-CB 3.46Å; K397-I401 WeakPolarHBondContact O-CD1 3.31Å; K397-I401 WeakPolarHBondContact O-CG1 3.22Å; K397-I401 PolarHBondContact O-N 2.62Å; K397-L470 VanDerWaalsContact CE-O 3.28Å; K397-L470 WeakPolarHBondContact CE-O 3.27Å; K397-L470 HydrophobicContact CG-CD1 4.43Å; K397-L470 PolarHBondContact NZ-O 2.84Å; K397-Y471 PolarHBondContact NZ-O 3.32Å; K397-I473 PolarHBondContact NZ-O 3.33Å; K397-F476 WeakPolarHBondContact CB-O 3.41Å; K397-F476 PolarHBondContact N-O 3.28Å; K397-I478 HydrophobicContact CB-CD1 3.82Å; K397-I478 HydrophobicContact CB-CG1 4.05Å; K397-I478 HydrophobicContact CG-CD1 4.12Å
398	C	65.9	Low	68.4	Low	44 Å²	44	52.1 Å²	52.1	30%	0.297	28%	0.275	S	S	.	.	H	α-helix	trans	-67.4	-32.4	175.3	56.6	0	0	0	0	113.6	K396 N402 I408	K396-C398 PolarHBondContact O-N 3.18Å; K396-C398 VanDerWaalsContact O-N 3.16Å; C398-N402 WeakPolarHBondContact O-CB 3.35Å; C398-N402 PolarHBondContact O-N 3.27Å; C398-N402 PolarHBondContact O-ND2 2.92Å; C398-N402 VanDerWaalsContact O-ND2 3.12Å; C398-I408 HydrophobicContact CB-CD1 3.91Å
399	E	69	Low	66	Low	86 Å²	86	54.1 Å²	54.1	40%	0.402	30%	0.296	S	S	.	.	H	α-helix	trans	-74	-44.1	178.9	-169	154.7	-146.5	0	0	110.8	K396 N402 Q403	K396-E399 HydrophobicContact CB-CB 4.09Å; K396-E399 WeakPolarHBondContact O-CA 3.46Å; K396-E399 WeakPolarHBondContact O-CB 3.02Å; K396-E399 PolarHBondContact O-N 3.31Å; E399-N402 PolarHBondContact O-N 3.09Å; E399-Q403 WeakPolarHBondContact O-CG 3.49Å; E399-Q403 PolarHBondContact O-N 3.09Å
400	L	70.6	Confident	63.8	Low	1 Å²	1	58.7 Å²	58.7	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-43.4	171.9	-169.5	64.9	0	0	0	111.9	F323 V395 K396 N402 Q403 I404 L470 I478 L483 L486	F323-L400 HydrophobicContact CD2-CD1 4.04Å; F323-L400 HydrophobicContact CE2-CD1 4.13Å; F323-L400 HydrophobicContact CE2-CD2 4.13Å; V395-L400 HydrophobicContact CG1-CB 3.98Å; K396-L400 PolarHBondContact O-N 3.45Å; L400-N402 VanDerWaalsContact C-N 3.34Å; L400-N402 PolarHBondContact O-N 2.71Å; L400-Q403 PolarHBondContact O-N 3.35Å; L400-I404 HydrophobicContact CD1-CD1 4.16Å; L400-I404 HydrophobicContact CG-CD1 3.89Å; L400-I404 WeakPolarHBondContact O-CD1 3.46Å; L400-I404 WeakPolarHBondContact O-CG1 3.41Å; L400-I404 PolarHBondContact O-N 2.67Å; L400-L470 HydrophobicContact CD2-CD1 3.91Å; L400-I478 HydrophobicContact CD2-CD1 3.74Å; L400-L483 HydrophobicContact CD2-CD2 3.96Å; L400-L486 HydrophobicContact CD2-CD1 4.25Å
401	I	67.9	Low	62	Low	14 Å²	14	57.9 Å²	57.9	7%	0.072	31%	0.306	C	S	.	.	H	α-helix	trans	-58.8	-43.7	174.2	-78.4	171.3	0	0	0	111.3	K397 I404 G405 L406 I408 L470 Y471	K397-I401 HydrophobicContact CG-CD1 3.81Å; K397-I401 VanDerWaalsContact O-CB 3.28Å; K397-I401 WeakPolarHBondContact O-CB 3.46Å; K397-I401 WeakPolarHBondContact O-CD1 3.31Å; K397-I401 WeakPolarHBondContact O-CG1 3.22Å; K397-I401 PolarHBondContact O-N 2.62Å; I401-I404 PolarHBondContact O-N 2.82Å; I401-G405 PolarHBondContact O-N 3.32Å; I401-L406 HydrophobicContact CG2-CB 3.86Å; I401-L406 VanDerWaalsContact CG2-O 3.22Å; I401-L406 WeakPolarHBondContact CG2-O 3.37Å; I401-L406 PolarHBondContact O-N 3.01Å; I401-I408 HydrophobicContact CG2-CG1 3.75Å; I401-L470 HydrophobicContact CG1-CD2 3.88Å; I401-L470 HydrophobicContact CG1-CG 4.32Å; I401-Y471 HydrophobicContact CD1-CE1 4.16Å
402	N	63.7	Low	59.8	Low	94 Å²	94	57.3 Å²	57.3	50%	0.503	31%	0.307	S	S	.	.	H	α-helix	trans	-67.7	-43.5	177.5	-77.6	-31.5	0	0	0	112.8	C398 E399 L400 I404 G405 I408	C398-N402 WeakPolarHBondContact O-CB 3.35Å; C398-N402 PolarHBondContact O-N 3.27Å; C398-N402 PolarHBondContact O-ND2 2.92Å; C398-N402 VanDerWaalsContact O-ND2 3.12Å; E399-N402 PolarHBondContact O-N 3.09Å; L400-N402 VanDerWaalsContact C-N 3.34Å; L400-N402 PolarHBondContact O-N 2.71Å; N402-I404 VanDerWaalsContact C-N 3.28Å; N402-I404 PolarHBondContact O-N 3.44Å; N402-G405 PolarHBondContact O-N 2.98Å; N402-I408 WeakPolarHBondContact OD1-CD1 3.47Å
403	Q	63.3	Low	57.6	Low	73 Å²	73	66.1 Å²	66.1	34%	0.341	34%	0.338	S	S	.	.	H	α-helix	trans	-59.4	-40.1	175.8	-76.1	176.9	-7.6	0	0	111.3	E399 L400 G405	E399-Q403 WeakPolarHBondContact O-CG 3.49Å; E399-Q403 PolarHBondContact O-N 3.09Å; L400-Q403 PolarHBondContact O-N 3.35Å; Q403-G405 PolarHBondContact O-N 3.03Å
404	I	62.2	Low	55.1	Low	9 Å²	9	69.3 Å²	69.3	5%	0.046	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	5.2	176.6	-49.3	159.9	0	0	0	113	R322 F323 L400 I401 N402 L406 Y467 L470	R322-I404 HydrophobicContact CB-CB 4.3Å; R322-I404 HydrophobicContact CB-CG2 3.79Å; F323-I404 HydrophobicContact CB-CD1 4.21Å; F323-I404 HydrophobicContact CB-CG1 4.37Å; F323-I404 HydrophobicContact CD2-CD1 3.98Å; L400-I404 HydrophobicContact CD1-CD1 4.16Å; L400-I404 HydrophobicContact CG-CD1 3.89Å; L400-I404 WeakPolarHBondContact O-CD1 3.46Å; L400-I404 WeakPolarHBondContact O-CG1 3.41Å; L400-I404 PolarHBondContact O-N 2.67Å; I401-I404 PolarHBondContact O-N 2.82Å; N402-I404 VanDerWaalsContact C-N 3.28Å; N402-I404 PolarHBondContact O-N 3.44Å; I404-L406 PolarHBondContact O-N 3.02Å; I404-Y467 HydrophobicContact CB-CE1 4.48Å; I404-Y467 HydrophobicContact CG2-CE1 3.47Å; I404-Y467 VanDerWaalsContact CG2-CE1 3.47Å; I404-Y467 VanDerWaalsContact CG2-OH 3.23Å; I404-Y467 WeakPolarHBondContact CG2-OH 3.47Å; I404-L470 HydrophobicContact CD1-CD2 4.14Å
405	G	52.8	Low	52.9	Low	49 Å²	49	71.4 Å²	71.4	51%	0.505	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	10.5	175.3	0	0	0	0	0	114.8	I401 N402 Q403 N407	I401-G405 PolarHBondContact O-N 3.32Å; N402-G405 PolarHBondContact O-N 2.98Å; Q403-G405 PolarHBondContact O-N 3.03Å; G405-N407 PolarHBondContact O-N 3.36Å
406	L	52.3	Low	50.5	Low	15 Å²	15	78 Å²	78	8%	0.079	40%	0.399	C	S	.	.			trans	-78.2	115.5	175.1	-73.7	170.9	0	0	0	109.6	I401 I404 I408 Y467 Y471	I401-L406 HydrophobicContact CG2-CB 3.86Å; I401-L406 VanDerWaalsContact CG2-O 3.22Å; I401-L406 WeakPolarHBondContact CG2-O 3.37Å; I401-L406 PolarHBondContact O-N 3.01Å; I404-L406 PolarHBondContact O-N 3.02Å; L406-I408 PolarHBondContact O-N 2.99Å; L406-I408 VanDerWaalsContact O-N 3.17Å; L406-Y467 HydrophobicContact CD1-CD1 3.55Å; L406-Y467 HydrophobicContact CD1-CE1 3.59Å; L406-Y467 HydrophobicContact CD1-CG 4.19Å; L406-Y467 HydrophobicContact CG-CE1 4.3Å; L406-Y471 HydrophobicContact CD1-CE2 4.24Å
407	N	43.6	Very low	48.3	Very low	99 Å²	99	79.7 Å²	79.7	53%	0.529	41%	0.412	S	S	.	.			trans	-77.1	106.6	-174	-173.1	-9.7	0	0	0	111.8	G405 C409 Q410	G405-N407 PolarHBondContact O-N 3.36Å; N407-C409 PolarHBondContact O-N 3.03Å; N407-C409 WeakPolarHBondContact OD1-CB 3.28Å; N407-C409 PolarHBondContact OD1-N 2.99Å; N407-C409 VanDerWaalsContact OD1-N 3.15Å; N407-Q410 PolarHBondContact O-N 2.93Å
408	I	37.8	Very low	46.2	Very low	64 Å²	64	85 Å²	85	33%	0.328	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-45.7	-37.7	177.8	-63.7	175.4	0	0	0	112.3	C398 I401 N402 L406 Q410	C398-I408 HydrophobicContact CB-CD1 3.91Å; I401-I408 HydrophobicContact CG2-CG1 3.75Å; N402-I408 WeakPolarHBondContact OD1-CD1 3.47Å; L406-I408 PolarHBondContact O-N 2.99Å; L406-I408 VanDerWaalsContact O-N 3.17Å; I408-Q410 PolarHBondContact O-N 3.22Å
409	C	31.8	Very low	44.6	Very low	107 Å²	107	91.1 Å²	91.1	72%	0.723	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-69.7	0.6	-173.2	-56.1	0	0	0	0	115.9	N407	N407-C409 PolarHBondContact O-N 3.03Å; N407-C409 WeakPolarHBondContact OD1-CB 3.28Å; N407-C409 PolarHBondContact OD1-N 2.99Å; N407-C409 VanDerWaalsContact OD1-N 3.15Å
410	Q	35.3	Very low	42.6	Very low	106 Å²	106	95.7 Å²	95.7	50%	0.495	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-97.7	-25.7	178.5	-75	-169.4	-6	0	0	115.4	N407 I408	N407-Q410 PolarHBondContact O-N 2.93Å; I408-Q410 PolarHBondContact O-N 3.22Å
411	Y	33.4	Very low	40.6	Very low	102 Å²	102	102.9 Å²	102.9	40%	0.4	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-23.9	-169.9	-112.5	-88.2	0	0	0	115.6	R413 T414	Y411-R413 PolarHBondContact O-N 3.16Å; Y411-T414 WeakPolarHBondContact CD1-OG1 3.24Å; Y411-T414 PolarHBondContact O-N 2.95Å; Y411-T414 PolarHBondContact O-OG1 3.02Å; Y411-T414 VanDerWaalsContact O-OG1 3.12Å
412	N	32.1	Very low	38.8	Very low	120 Å²	120	110.2 Å²	110.2	64%	0.642	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	23.7	174.1	-62.8	26.9	0	0	0	114
413	R	30.9	Very low	37	Very low	208 Å²	208	114 Å²	114	79%	0.785	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.1	-8.4	178.1	-77.8	-173.4	170.6	-175.7	-2.7	114.1	Y411	Y411-R413 PolarHBondContact O-N 3.16Å
414	T	30.6	Very low	35.5	Very low	74 Å²	74	119.7 Å²	119.7	45%	0.454	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.2	-35.7	176.1	38.9	0	0	0	0	112.1	Y411	Y411-T414 WeakPolarHBondContact CD1-OG1 3.24Å; Y411-T414 PolarHBondContact O-N 2.95Å; Y411-T414 PolarHBondContact O-OG1 3.02Å; Y411-T414 VanDerWaalsContact O-OG1 3.12Å
415	D	32.5	Very low	33.9	Very low	88 Å²	88	125.6 Å²	125.6	47%	0.471	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-91.1	-15	-164.8	-53.8	3.7	0	0	0	112.4	N417 D418	D415-N417 PolarHBondContact O-N 3.03Å; D415-N417 VanDerWaalsContact O-N 3.08Å; D415-D418 PolarHBondContact O-N 3.27Å; D415-D418 VanDerWaalsContact O-N 3.11Å
416	E	31.5	Very low	32.8	Very low	153 Å²	153	132.3 Å²	132.3	72%	0.715	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-61.8	-12.9	174.5	-68.6	-172.4	144.5	0	0	114.2
417	N	31.3	Very low	31.7	Very low	133 Å²	133	141 Å²	141	71%	0.711	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-90	-21.1	175.6	-72.3	-65.8	0	0	0	113.8	D415	D415-N417 PolarHBondContact O-N 3.03Å; D415-N417 VanDerWaalsContact O-N 3.08Å
418	D	32.6	Very low	30.8	Very low	146 Å²	146	143.9 Å²	143.9	78%	0.781	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	0	-176.8	-74.2	-11.1	0	0	0	112.7	D415	D415-D418 PolarHBondContact O-N 3.27Å; D415-D418 VanDerWaalsContact O-N 3.11Å
419	Q	32.1	Very low	30.4	Very low	172 Å²	172	147 Å²	147	80%	0.804	74%	0.737	S	S	*	*			trans	-105.4	62.3	170.5	-67.4	-164.9	-65.8	0	0	112.4
420	K	27.6	Very low	30.2	Very low	182 Å²	182	150.5 Å²	150.5	79%	0.791	74%	0.742	S	S	*	*			trans	-108.5	146.3	146.7	-74.4	-177.4	177.5	177	0	107.9
421	D	27.5	Very low	30	Very low	153 Å²	153	151.2 Å²	151.2	82%	0.818	75%	0.75	S	S	*	*	S	Bend	trans	76.5	72.2	-170.8	-52.9	-11.4	0	0	0	114.2
422	N	30.2	Very low	29.8	Very low	168 Å²	168	155.3 Å²	155.3	90%	0.898	77%	0.77	S	S	*	*				-175.1	96.5	127.2	-89.3	-40.8	0	0	0	110.1	E424	N422-E424 PolarHBondContact O-N 2.96Å
423	D	26.8	Very low	29.7	Very low	173 Å²	173	158.4 Å²	158.4	93%	0.925	78%	0.777	S	S	*	*			trans	-72.4	115.4	164.6	-75.7	-56.2	0	0	0	109.6
424	E	30.3	Very low	29.5	Very low	193 Å²	193	155.5 Å²	155.5	90%	0.902	77%	0.773	S	S	*	*			trans	-152.2	132.7	145.3	-125.9	172	-142.5	0	0	112.6	N422	N422-E424 PolarHBondContact O-N 2.96Å
425	T	28.9	Very low	29.4	Very low	133 Å²	133	158.5 Å²	158.5	82%	0.816	79%	0.786	S	S	*	*			trans	-73.6	129.8	-161.8	51.9	0	0	0	0	114.8
426	M	30.7	Very low	29.2	Very low	189 Å²	189	163 Å²	163	93%	0.931	80%	0.804	S	S	*	*			trans	-129.2	154.9	149.1	-82.9	-95.4	169.2	0	0	109.2
427	K	27.9	Very low	29	Very low	198 Å²	198	159.7 Å²	159.7	86%	0.861	80%	0.798	S	S	*	*			trans	-91.1	163.6	-156.2	-64.6	173.9	-178.8	172.5	0	114.3	D429	K427-D429 PolarHBondContact O-N 3.21Å
428	D	26.1	Very low	28.7	Very low	159 Å²	159	159 Å²	159	85%	0.85	79%	0.794	S	S	*	*			trans	-58.7	119.2	172.7	-47.9	-92.7	0	0	0	112.3
429	D	28	Very low	28.5	Very low	130 Å²	130	158.9 Å²	158.9	70%	0.695	79%	0.793	S	S	*	*			trans	-115.8	97.1	167.3	-120.6	-37.9	0	0	0	108.3	K427 N431	K427-D429 PolarHBondContact O-N 3.21Å; D429-N431 PolarHBondContact O-N 3.02Å
430	E	28.5	Very low	28.2	Very low	181 Å²	181	155 Å²	155	85%	0.846	79%	0.785	S	S	*	*	G	3₁₀ helix	trans	-65.6	-5.9	-171.9	-70.2	-158.3	108	0	0	114.8	F432	E430-F432 PolarHBondContact O-N 3.49Å; E430-F432 VanDerWaalsContact O-N 3.14Å
431	N	30.1	Very low	28	Very low	121 Å²	121	154.9 Å²	154.9	65%	0.647	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-66.8	-11.8	-176.1	-78.8	-47.8	0	0	0	115.1	D429 K433	D429-N431 PolarHBondContact O-N 3.02Å; N431-K433 PolarHBondContact O-N 3.04Å
432	F	29.7	Very low	28	Very low	188 Å²	188	155.6 Å²	155.6	83%	0.825	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-67.6	-6.2	-174.8	-123.8	-85.7	0	0	0	115.5	E430	E430-F432 PolarHBondContact O-N 3.49Å; E430-F432 VanDerWaalsContact O-N 3.14Å
433	K	29.8	Very low	27.7	Very low	184 Å²	184	157.3 Å²	157.3	80%	0.8	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-95.8	-1.6	-176.3	-78	177.7	179.8	163.6	0	116.6	N431	N431-K433 PolarHBondContact O-N 3.04Å
434	Q	27.9	Very low	27.8	Very low	148 Å²	148	155.9 Å²	155.9	69%	0.692	77%	0.771	S	S	*	*	S	Bend	trans	-101.5	-21.9	-175.5	-64.2	-164.8	1.5	0	0	115.4	E436 S437	Q434-E436 PolarHBondContact O-N 2.73Å; Q434-S437 PolarHBondContact O-OG 3.25Å
435	N	27.3	Very low	27.6	Very low	136 Å²	136	158.1 Å²	158.1	73%	0.727	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-82.6	-7.6	-173.1	-79.6	-24.3	0	0	0	116.2	S437	N435-S437 PolarHBondContact O-N 3.34Å
436	E	29	Very low	27.4	Very low	182 Å²	182	154.2 Å²	154.2	85%	0.85	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-68	-10.8	175.9	-72.2	-163.9	122.8	0	0	114.1	Q434	Q434-E436 PolarHBondContact O-N 2.73Å
437	S	26.1	Very low	27.3	Very low	85 Å²	85	150.5 Å²	150.5	59%	0.594	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-93.1	-18.4	-168	64.7	0	0	0	0	115.9	Q434 N435	Q434-S437 PolarHBondContact O-OG 3.25Å; N435-S437 PolarHBondContact O-N 3.34Å
438	I	27	Very low	27.2	Very low	119 Å²	119	147.8 Å²	147.8	61%	0.61	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-45.9	-162.4	-61.4	-177.9	0	0	0	113.7	S440	I438-S440 PolarHBondContact O-N 2.79Å
439	N	27.8	Very low	27.3	Very low	143 Å²	143	146.5 Å²	146.5	77%	0.765	73%	0.726	S	S	*	*	S	Bend	trans	-91.5	28.3	-174.5	-74.9	10.3	0	0	0	114.9
440	S	25	Very low	27.2	Very low	91 Å²	91	144.4 Å²	144.4	64%	0.636	72%	0.721	S	S	*	*			trans	-96.6	11.1	-178.3	63.1	0	0	0	0	114.9	I438	I438-S440 PolarHBondContact O-N 2.79Å
441	K	24.7	Very low	27	Very low	179 Å²	179	140.9 Å²	140.9	78%	0.778	71%	0.712	S	S	*	*	S	Bend	trans	-124.6	146.6	176.9	-66.9	170.5	-174.9	163.6	0	109.2
442	I	26.4	Very low	27	Very low	167 Å²	167	140.3 Å²	140.3	86%	0.856	71%	0.709	S	S	*	*	S	Bend	trans	72.6	68	-172	-43	171.3	0	0	0	113.1
443	F	25	Very low	26.9	Very low	204 Å²	204	139.7 Å²	139.7	90%	0.895	70%	0.701	S	S	*	*			trans	-156.8	122.4	134.5	-112.4	-72	0	0	0	108.7	R445	F443-R445 PolarHBondContact O-N 3.45Å
444	K	27.7	Very low	27	Very low	143 Å²	143	135.2 Å²	135.2	62%	0.622	69%	0.685	S	S	*	*			trans	-81.8	120.1	-179.6	-110.1	173.4	168.8	169	0	109.9	G446 E644	K444-G446 VanDerWaalsContact C-N 3.34Å; K444-G446 PolarHBondContact O-N 3.43Å; K444-E644 WeakPolarHBondContact CD-OE2 3.49Å; K444-E644 IonicContact NZ-OE1 2.64Å; K444-E644 PolarHBondContact NZ-OE1 2.64Å; K444-E644 IonicContact NZ-OE2 2.67Å; K444-E644 PolarHBondContact NZ-OE2 2.83Å
445	R	26.7	Very low	26.9	Very low	241 Å²	241	132 Å²	132	91%	0.909	67%	0.673	S	S	*	*			trans	-65.8	86.6	177.2	-71.8	177.2	170.5	162.3	-2.9	111.1	F443	F443-R445 PolarHBondContact O-N 3.45Å
446	G	24.3	Very low	27	Very low	50 Å²	50	128.9 Å²	128.9	52%	0.515	66%	0.661	S	S	.	*			trans	-95.6	88.8	-177.2	0	0	0	0	0	114.3	K444 F448	K444-G446 VanDerWaalsContact C-N 3.34Å; K444-G446 PolarHBondContact O-N 3.43Å; G446-F448 VanDerWaalsContact C-N 3.3Å; G446-F448 PolarHBondContact O-N 3.05Å
447	T	27.7	Very low	26.7	Very low	112 Å²	112	124.5 Å²	124.5	69%	0.687	65%	0.65	S	S	*	*	S	Bend	trans	61	-37.9	147.5	-39.9	0	0	0	0	120.8	S450	T447-S450 WeakPolarHBondContact O-CB 3.47Å; T447-S450 PolarHBondContact O-OG 3.44Å
448	F	26.3	Very low	26.7	Very low	141 Å²	141	124.7 Å²	124.7	62%	0.618	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-87.9	-18.3	-174.4	-102.2	-84.2	0	0	0	116	G446 S450 T451 L452	G446-F448 VanDerWaalsContact C-N 3.3Å; G446-F448 PolarHBondContact O-N 3.05Å; F448-S450 PolarHBondContact O-N 3.25Å; F448-T451 PolarHBondContact O-N 3.1Å; F448-L452 PolarHBondContact O-N 3.35Å
449	I	27.8	Very low	26.8	Very low	131 Å²	131	128.1 Å²	128.1	67%	0.672	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-58.3	-19.7	170.4	-58.8	171.8	0	0	0	111.4
450	S	25.8	Very low	27.1	Very low	86 Å²	86	127.1 Å²	127.1	60%	0.601	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-71.4	-28.2	173.6	-26.9	0	0	0	0	113.8	T447 F448	T447-S450 WeakPolarHBondContact O-CB 3.47Å; T447-S450 PolarHBondContact O-OG 3.44Å; F448-S450 PolarHBondContact O-N 3.25Å
451	T	26.1	Very low	28	Very low	107 Å²	107	126.8 Å²	126.8	66%	0.656	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	-45.7	-166.8	-42.2	0	0	0	0	110.9	F448 R453	F448-T451 PolarHBondContact O-N 3.1Å; T451-R453 PolarHBondContact O-N 2.96Å
452	L	28.2	Very low	29.3	Very low	109 Å²	109	120.6 Å²	120.6	57%	0.571	63%	0.629	S	S	*	*	S	Bend	trans	-78.5	65.6	156	-91.1	171.3	0	0	0	109.2	E318 F448 L454	E318-L452 HydrophobicContact CG-CD1 4.31Å; F448-L452 PolarHBondContact O-N 3.35Å; L452-L454 VanDerWaalsContact C-N 3.32Å; L452-L454 PolarHBondContact O-N 3.49Å
453	R	29.3	Very low	30.7	Very low	176 Å²	176	115 Å²	115	66%	0.664	60%	0.599	S	S	*	*			trans	-62.9	99.5	158.9	-112.7	-178.3	165.2	175.4	-1.7	107.1	T451 N455	T451-R453 PolarHBondContact O-N 2.96Å; R453-N455 HydrophobicContact CB-CB 4.23Å; R453-N455 WeakPolarHBondContact CD-OD1 3.3Å; R453-N455 HydrophobicContact CG-CB 4.48Å; R453-N455 WeakPolarHBondContact CG-OD1 3.32Å; R453-N455 PolarHBondContact NE-OD1 3.47Å; R453-N455 PolarHBondContact O-N 3.12Å
454	L	30.3	Very low	32.8	Very low	90 Å²	90	105.3 Å²	105.3	47%	0.471	56%	0.556	S	S	.	*			trans	-68.1	53.1	150.6	-68.6	177.8	0	0	0	109.9	L452 C456	L452-L454 VanDerWaalsContact C-N 3.32Å; L452-L454 PolarHBondContact O-N 3.49Å; L454-C456 PolarHBondContact O-N 3.12Å
455	N	27.4	Very low	34.8	Very low	80 Å²	80	102.9 Å²	102.9	43%	0.428	55%	0.546	S	S	.	.			trans	-69.2	73.7	152	-93.3	46.8	0	0	0	106.5	R453 S457	R453-N455 HydrophobicContact CB-CB 4.23Å; R453-N455 WeakPolarHBondContact CD-OD1 3.3Å; R453-N455 HydrophobicContact CG-CB 4.48Å; R453-N455 WeakPolarHBondContact CG-OD1 3.32Å; R453-N455 PolarHBondContact NE-OD1 3.47Å; R453-N455 PolarHBondContact O-N 3.12Å; N455-S457 PolarHBondContact ND2-OG 2.8Å; N455-S457 PolarHBondContact O-N 3Å
456	C	29	Very low	37	Very low	71 Å²	71	91.5 Å²	91.5	48%	0.48	50%	0.503	S	S	.	.			trans	-66.1	19.2	162.6	-63.1	0	0	0	0	111.8	L454 S458	L454-C456 PolarHBondContact O-N 3.12Å; C456-S458 PolarHBondContact O-N 2.79Å; C456-S458 VanDerWaalsContact O-N 3.16Å
457	S	22.6	Very low	39.3	Very low	90 Å²	90	90.1 Å²	90.1	63%	0.629	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	34.6	-178	67.3	0	0	0	0	112.9	N455	N455-S457 PolarHBondContact ND2-OG 2.8Å; N455-S457 PolarHBondContact O-N 3Å
458	S	25.2	Very low	41.4	Very low	88 Å²	88	89.1 Å²	89.1	62%	0.615	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-171.6	55.6	164.5	59.8	0	0	0	0	113	C456 N460	C456-S458 PolarHBondContact O-N 2.79Å; C456-S458 VanDerWaalsContact O-N 3.16Å; S458-N460 VanDerWaalsContact C-N 3.29Å; S458-N460 PolarHBondContact O-N 2.83Å
459	Q	29.8	Very low	43.8	Very low	191 Å²	191	85.3 Å²	85.3	89%	0.893	45%	0.453	S	S	*	.	S	Bend	trans	57.9	-17.7	152.1	-68.3	172	-53.2	0	0	122.2
460	N	33.5	Very low	46	Very low	123 Å²	123	79.2 Å²	79.2	66%	0.658	42%	0.421	S	S	*	.			trans	-111.3	-12.3	-157.5	-72.3	-12.6	0	0	0	117.9	Q308 S458	Q308-N460 PolarHBondContact NE2-O 2.8Å; S458-N460 VanDerWaalsContact C-N 3.29Å; S458-N460 PolarHBondContact O-N 2.83Å
461	V	44.2	Very low	48.1	Very low	84 Å²	84	78.5 Å²	78.5	51%	0.509	41%	0.406	S	S	.	.	S	Bend	trans	-85	126	173	-175.9	0	0	0	0	109	Q463	V461-Q463 PolarHBondContact O-N 3.31Å
462	I	50.9	Low	50.4	Low	49 Å²	49	81.1 Å²	81.1	25%	0.251	41%	0.408	S	S	.	.			trans	-77.2	110.3	-175.7	-67	166.1	0	0	0	108.7	F272 T312	F272-I462 HydrophobicContact CB-CD1 3.95Å; F272-I462 HydrophobicContact CD1-CD1 3.6Å; F272-I462 HydrophobicContact CG-CD1 4.16Å; T312-I462 HydrophobicContact CG2-CB 4.41Å
463	Q	57.7	Low	52.6	Low	49 Å²	49	77.1 Å²	77.1	23%	0.229	39%	0.387	C	S	.	.			trans	-59.2	136.2	170.4	-73.1	-176	-5	0	0	110.6	V461 K468	V461-Q463 PolarHBondContact O-N 3.31Å; Q463-K468 VanDerWaalsContact O-CE 3.24Å; Q463-K468 WeakPolarHBondContact O-CE 3.38Å; Q463-K468 PolarHBondContact O-NZ 2.89Å
464	P	67.4	Low	54.5	Low	1 Å²	1	77.1 Å²	77.1	1%	0.006	40%	0.399	C	S	.	.			trans	-45	141.4	170.6	-34.6	35.2	0	0	0	115.4	C316 F466 Y467 K468 E493	C316-P464 HydrophobicContact CB-CG 4.2Å; P464-F466 VanDerWaalsContact C-N 3.27Å; P464-F466 HydrophobicContact CB-CD1 3.54Å; P464-F466 HydrophobicContact CB-CE1 3.37Å; P464-F466 HydrophobicContact CB-CZ 4.24Å; P464-F466 HydrophobicContact CG-CE1 4.03Å; P464-F466 PolarHBondContact O-N 3.06Å; P464-Y467 HydrophobicContact CB-CD2 3.71Å; P464-Y467 HydrophobicContact CB-CE2 4.1Å; P464-Y467 HydrophobicContact CB-CG 4.45Å; P464-Y467 HydrophobicContact CG-CD2 3.81Å; P464-Y467 HydrophobicContact CG-CE2 3.79Å; P464-Y467 WeakPolarHBondContact O-CB 3.33Å; P464-Y467 PolarHBondContact O-N 3.38Å; P464-K468 PolarHBondContact O-N 3.23Å; P464-E493 WeakPolarHBondContact CA-OE1 2.66Å; P464-E493 WeakPolarHBondContact CA-OE2 3.18Å; P464-E493 VanDerWaalsContact CB-OE2 3.31Å; P464-E493 WeakPolarHBondContact CB-OE2 3.44Å
465	K	71.3	Confident	56.7	Low	92 Å²	92	77.8 Å²	77.8	40%	0.4	40%	0.398	S	S	.	.	H	α-helix	trans	-54.1	-40.3	174.9	-70	171.5	-176.9	-177.1	0	111.7	Y467 K468 Q469 E493 E496	K465-Y467 VanDerWaalsContact C-N 3.34Å; K465-Y467 PolarHBondContact O-N 3.19Å; K465-K468 CarbonylContact O-C 3.43Å; K465-K468 WeakPolarHBondContact O-CA 3.27Å; K465-K468 WeakPolarHBondContact O-CB 3.43Å; K465-K468 PolarHBondContact O-N 3.07Å; K465-K468 VanDerWaalsContact O-N 3.1Å; K465-Q469 PolarHBondContact O-N 3.28Å; K465-E493 HydrophobicContact CB-CB 4.45Å; K465-E493 HydrophobicContact CB-CG 4.46Å; K465-E493 WeakPolarHBondContact CB-OE2 3.33Å; K465-E493 HydrophobicContact CD-CB 4.19Å; K465-E493 HydrophobicContact CD-CG 4.18Å; K465-E493 HydrophobicContact CG-CG 4.44Å; K465-E493 VanDerWaalsContact CG-OE1 3.3Å; K465-E493 WeakPolarHBondContact CG-OE1 3.24Å; K465-E493 PolarHBondContact N-OE1 3.22Å; K465-E493 PolarHBondContact N-OE2 2.88Å; K465-E496 IonicContact NZ-OE1 3.9Å; K465-E496 PolarHBondContact NZ-OE1 3.5Å; K465-E496 IonicContact NZ-OE2 3.6Å; K465-E496 PolarHBondContact NZ-OE2 2.76Å
466	F	73.2	Confident	58.8	Low	2 Å²	2	79.6 Å²	79.6	1%	0.009	40%	0.403	C	S	.	.	H	α-helix	trans	-66.9	-32.8	-179	77.8	-91.6	0	0	0	112.7	V320 F323 P464 Q469 L470 A490	V320-F466 HydrophobicContact CG2-CE1 3.98Å; V320-F466 HydrophobicContact CG2-CZ 4.49Å; F323-F466 HydrophobicContact CB-CE2 4.48Å; P464-F466 VanDerWaalsContact C-N 3.27Å; P464-F466 HydrophobicContact CB-CD1 3.54Å; P464-F466 HydrophobicContact CB-CE1 3.37Å; P464-F466 HydrophobicContact CB-CZ 4.24Å; P464-F466 HydrophobicContact CG-CE1 4.03Å; P464-F466 PolarHBondContact O-N 3.06Å; F466-Q469 WeakPolarHBondContact O-CB 3.28Å; F466-Q469 PolarHBondContact O-N 2.83Å; F466-Q469 VanDerWaalsContact O-N 3.15Å; F466-L470 PolarHBondContact O-N 2.94Å; F466-A490 HydrophobicContact CB-CB 4.03Å; F466-A490 HydrophobicContact CD1-CB 3.96Å; F466-A490 HydrophobicContact CD2-CB 4.44Å; F466-A490 HydrophobicContact CG-CB 3.9Å
467	Y	72	Confident	61.2	Low	21 Å²	21	81 Å²	81	8%	0.082	40%	0.402	C	S	.	.	H	α-helix	trans	-63	-42.9	169.1	-66.3	-45.2	0	0	0	112.1	G319 I404 L406 P464 K465 Q469 L470 Y471	G319-Y467 WeakPolarHBondContact CA-OH 3.48Å; I404-Y467 HydrophobicContact CB-CE1 4.48Å; I404-Y467 HydrophobicContact CG2-CE1 3.47Å; I404-Y467 VanDerWaalsContact CG2-CE1 3.47Å; I404-Y467 VanDerWaalsContact CG2-OH 3.23Å; I404-Y467 WeakPolarHBondContact CG2-OH 3.47Å; L406-Y467 HydrophobicContact CD1-CD1 3.55Å; L406-Y467 HydrophobicContact CD1-CE1 3.59Å; L406-Y467 HydrophobicContact CD1-CG 4.19Å; L406-Y467 HydrophobicContact CG-CE1 4.3Å; P464-Y467 HydrophobicContact CB-CD2 3.71Å; P464-Y467 HydrophobicContact CB-CE2 4.1Å; P464-Y467 HydrophobicContact CB-CG 4.45Å; P464-Y467 HydrophobicContact CG-CD2 3.81Å; P464-Y467 HydrophobicContact CG-CE2 3.79Å; P464-Y467 WeakPolarHBondContact O-CB 3.33Å; P464-Y467 PolarHBondContact O-N 3.38Å; K465-Y467 VanDerWaalsContact C-N 3.34Å; K465-Y467 PolarHBondContact O-N 3.19Å; Y467-Q469 PolarHBondContact O-N 2.82Å; Y467-L470 WeakPolarHBondContact O-CB 3.45Å; Y467-L470 PolarHBondContact O-N 3.08Å; Y467-L470 VanDerWaalsContact O-N 3.07Å; Y467-Y471 WeakPolarHBondContact O-CD2 3.42Å; Y467-Y471 PolarHBondContact O-N 2.87Å
468	K	72.2	Confident	63.9	Low	90 Å²	90	76.7 Å²	76.7	39%	0.391	37%	0.372	S	S	.	.	H	α-helix	trans	-63.6	-24.1	175.8	-64.9	161.3	178.5	152.9	0	111.8	Q463 P464 K465 K472	Q463-K468 VanDerWaalsContact O-CE 3.24Å; Q463-K468 WeakPolarHBondContact O-CE 3.38Å; Q463-K468 PolarHBondContact O-NZ 2.89Å; P464-K468 PolarHBondContact O-N 3.23Å; K465-K468 CarbonylContact O-C 3.43Å; K465-K468 WeakPolarHBondContact O-CA 3.27Å; K465-K468 WeakPolarHBondContact O-CB 3.43Å; K465-K468 PolarHBondContact O-N 3.07Å; K465-K468 VanDerWaalsContact O-N 3.1Å; K468-K472 WeakPolarHBondContact O-CD 3.43Å; K468-K472 WeakPolarHBondContact O-CG 3.31Å; K468-K472 PolarHBondContact O-N 3.36Å
469	Q	76	Confident	66.8	Low	62 Å²	62	75 Å²	75	29%	0.29	36%	0.357	S	S	.	.	H	α-helix	trans	-75.9	-46.6	167.4	-64.1	-159.4	8.7	0	0	112.1	K465 F466 Y467 Y471 K472 I473 L486 S489	K465-Q469 PolarHBondContact O-N 3.28Å; F466-Q469 WeakPolarHBondContact O-CB 3.28Å; F466-Q469 PolarHBondContact O-N 2.83Å; F466-Q469 VanDerWaalsContact O-N 3.15Å; Y467-Q469 PolarHBondContact O-N 2.82Å; Q469-Y471 VanDerWaalsContact C-N 3.27Å; Q469-Y471 PolarHBondContact O-N 2.89Å; Q469-K472 WeakPolarHBondContact O-CA 3.31Å; Q469-K472 WeakPolarHBondContact O-CB 3.27Å; Q469-K472 PolarHBondContact O-N 3.45Å; Q469-I473 PolarHBondContact O-N 3.42Å; Q469-L486 HydrophobicContact CB-CD2 3.77Å; Q469-S489 VanDerWaalsContact CD-CB 3.4Å; Q469-S489 VanDerWaalsContact NE2-CB 3.33Å; Q469-S489 PolarHBondContact NE2-OG 2.89Å; Q469-S489 VanDerWaalsContact NE2-OG 3.09Å
470	L	74.5	Confident	69.4	Low	3 Å²	3	66.2 Å²	66.2	2%	0.016	32%	0.315	C	S	.	.	H	α-helix	trans	-54.4	-42.7	177.2	177.3	58.7	0	0	0	112.1	K397 L400 I401 I404 F466 Y467 I473 I478 L486	K397-L470 VanDerWaalsContact CE-O 3.28Å; K397-L470 WeakPolarHBondContact CE-O 3.27Å; K397-L470 HydrophobicContact CG-CD1 4.43Å; K397-L470 PolarHBondContact NZ-O 2.84Å; L400-L470 HydrophobicContact CD2-CD1 3.91Å; I401-L470 HydrophobicContact CG1-CD2 3.88Å; I401-L470 HydrophobicContact CG1-CG 4.32Å; I404-L470 HydrophobicContact CD1-CD2 4.14Å; F466-L470 PolarHBondContact O-N 2.94Å; Y467-L470 WeakPolarHBondContact O-CB 3.45Å; Y467-L470 PolarHBondContact O-N 3.08Å; Y467-L470 VanDerWaalsContact O-N 3.07Å; L470-I473 PolarHBondContact O-N 3.34Å; L470-I478 HydrophobicContact CD1-CD1 3.45Å; L470-I478 VanDerWaalsContact CD1-CD1 3.45Å; L470-L486 HydrophobicContact CB-CD1 4.49Å; L470-L486 HydrophobicContact CB-CD2 3.91Å; L470-L486 HydrophobicContact CD1-CD1 3.94Å
471	Y	69	Low	71.9	Confident	70 Å²	70	66 Å²	66	28%	0.275	31%	0.306	S	S	.	.	H	α-helix	trans	-66.2	-37.6	175.1	-74.2	-65.6	0	0	0	113	K397 I401 L406 Y467 Q469 I473	K397-Y471 PolarHBondContact NZ-O 3.32Å; I401-Y471 HydrophobicContact CD1-CE1 4.16Å; L406-Y471 HydrophobicContact CD1-CE2 4.24Å; Y467-Y471 WeakPolarHBondContact O-CD2 3.42Å; Y467-Y471 PolarHBondContact O-N 2.87Å; Q469-Y471 VanDerWaalsContact C-N 3.27Å; Q469-Y471 PolarHBondContact O-N 2.89Å; Y471-I473 VanDerWaalsContact C-N 3.32Å; Y471-I473 PolarHBondContact O-N 3.36Å
472	K	75	Confident	73.9	Confident	163 Å²	163	63.3 Å²	63.3	71%	0.709	29%	0.289	S	S	*	.	H	α-helix	trans	-67.2	-21.9	177.1	-77.1	171.9	-179.2	-176	0	115.1	K468 Q469 L474	K468-K472 WeakPolarHBondContact O-CD 3.43Å; K468-K472 WeakPolarHBondContact O-CG 3.31Å; K468-K472 PolarHBondContact O-N 3.36Å; Q469-K472 WeakPolarHBondContact O-CA 3.31Å; Q469-K472 WeakPolarHBondContact O-CB 3.27Å; Q469-K472 PolarHBondContact O-N 3.45Å; K472-L474 PolarHBondContact O-N 2.93Å
473	I	73.1	Confident	75.6	Confident	24 Å²	24	61 Å²	61	12%	0.123	28%	0.277	C	S	.	.			trans	-67.2	105.1	176.3	-64.2	164.8	0	0	0	108.5	K397 Q469 L470 Y471 K475 I478 D482 L486	K397-I473 PolarHBondContact NZ-O 3.33Å; Q469-I473 PolarHBondContact O-N 3.42Å; L470-I473 PolarHBondContact O-N 3.34Å; Y471-I473 VanDerWaalsContact C-N 3.32Å; Y471-I473 PolarHBondContact O-N 3.36Å; I473-K475 HydrophobicContact CG2-CB 4.06Å; I473-K475 HydrophobicContact CG2-CG 4.41Å; I473-K475 PolarHBondContact O-N 3.17Å; I473-I478 HydrophobicContact CG2-CG1 4.5Å; I473-D482 HydrophobicContact CD1-CB 4.2Å; I473-L486 HydrophobicContact CD1-CD1 3.96Å; I473-L486 HydrophobicContact CD1-CD2 4.12Å; I473-L486 HydrophobicContact CD1-CG 4.12Å
474	L	69.9	Low	77	Confident	176 Å²	176	61.8 Å²	61.8	92%	0.921	28%	0.28	S	S	*	.			trans	-69.7	-20	-178.4	-67.1	175.2	0	0	0	113.5	K472	K472-L474 PolarHBondContact O-N 2.93Å
475	K	76.1	Confident	77.9	Confident	104 Å²	104	66.4 Å²	66.4	45%	0.452	30%	0.304	S	S	.	.			trans	-66	143.2	178	-53.5	177.4	-164.9	158.6	0	110.9	I473 E477 D482	I473-K475 HydrophobicContact CG2-CB 4.06Å; I473-K475 HydrophobicContact CG2-CG 4.41Å; I473-K475 PolarHBondContact O-N 3.17Å; K475-E477 WeakPolarHBondContact CB-O 3.3Å; K475-D482 IonicContact NZ-OD1 2.66Å; K475-D482 PolarHBondContact NZ-OD1 2.85Å; K475-D482 IonicContact NZ-OD2 3.58Å; K475-D482 PolarHBondContact NZ-OD2 2.78Å
476	F	73.2	Confident	78.5	Confident	118 Å²	118	62.1 Å²	62.1	52%	0.518	29%	0.285	S	S	.	.	S	Bend	trans	-74	-30.2	169.5	-172.9	-100.2	0	0	0	112.2	K396 K397	K396-F476 HydrophobicContact CB-CE1 4.28Å; K396-F476 HydrophobicContact CD-CE1 4.19Å; K396-F476 HydrophobicContact CG-CD1 4.45Å; K396-F476 HydrophobicContact CG-CE1 3.94Å; K397-F476 WeakPolarHBondContact CB-O 3.41Å; K397-F476 PolarHBondContact N-O 3.28Å
477	E	78.4	Confident	79.1	Confident	100 Å²	100	62.2 Å²	62.2	47%	0.467	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.5	177.2	-73.2	163.5	174.2	0	0	110.1	K396 K475	K396-E477 HydrophobicContact CG-CG 4.3Å; K475-E477 WeakPolarHBondContact CB-O 3.3Å
478	I	80.4	Confident	79.7	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.1	-176.8	-56.3	179.2	0	0	0	106.6	T394 V395 K397 L400 L470 I473 D482 L483 L486	T394-I478 CarbonylContact C-O 3.59Å; T394-I478 WeakPolarHBondContact CA-O 3.36Å; V395-I478 PolarHBondContact N-O 3.29Å; V395-I478 WeakPolarHBondContact O-CB 3.44Å; V395-I478 PolarHBondContact O-N 2.89Å; K397-I478 HydrophobicContact CB-CD1 3.82Å; K397-I478 HydrophobicContact CB-CG1 4.05Å; K397-I478 HydrophobicContact CG-CD1 4.12Å; L400-I478 HydrophobicContact CD2-CD1 3.74Å; L470-I478 HydrophobicContact CD1-CD1 3.45Å; L470-I478 VanDerWaalsContact CD1-CD1 3.45Å; I473-I478 HydrophobicContact CG2-CG1 4.5Å; I478-D482 HydrophobicContact CG2-CB 3.52Å; I478-L483 HydrophobicContact CG2-CD2 3.89Å; I478-L483 HydrophobicContact CG2-CG 3.89Å; I478-L486 HydrophobicContact CG2-CD1 4.42Å
479	N	85.1	Confident	80.3	Confident	54 Å²	54	62.5 Å²	62.5	29%	0.289	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	175.4	179.3	69.3	12.7	0	0	0	111.8	Y481 D482 L483	N479-Y481 PolarHBondContact O-N 2.86Å; N479-Y481 VanDerWaalsContact O-N 3.16Å; N479-Y481 WeakPolarHBondContact OD1-CB 3.38Å; N479-Y481 PolarHBondContact OD1-N 3.22Å; N479-Y481 VanDerWaalsContact OD1-N 3.17Å; N479-D482 PolarHBondContact O-N 3.18Å; N479-D482 VanDerWaalsContact O-N 3.09Å; N479-D482 VanDerWaalsContact OD1-CG 3.32Å; N479-D482 PolarHBondContact OD1-N 3.19Å; N479-D482 PolarHBondContact OD1-OD2 2.75Å; N479-L483 WeakPolarHBondContact O-CG 3.33Å; N479-L483 PolarHBondContact O-N 3.16Å
480	L	84.7	Confident	80.5	Confident	5 Å²	5	59.6 Å²	59.6	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-53.5	-34.6	178	-57.5	175.6	0	0	0	113.9	W393 K484 L544 L547 I548 N551	W393-L480 HydrophobicContact CB-CD1 3.91Å; W393-L480 HydrophobicContact CB-CD2 3.84Å; W393-L480 HydrophobicContact CB-CG 3.82Å; W393-L480 HydrophobicContact CD2-CD1 4.03Å; W393-L480 HydrophobicContact CE3-CD1 3.98Å; W393-L480 HydrophobicContact CG-CD1 3.99Å; W393-L480 HydrophobicContact CG-CD2 4.09Å; W393-L480 HydrophobicContact CG-CG 4.3Å; W393-L480 PolarHBondContact O-N 2.96Å; L480-K484 WeakPolarHBondContact O-CB 3.22Å; L480-K484 PolarHBondContact O-N 3.01Å; L480-L544 HydrophobicContact CB-CD2 4.14Å; L480-L544 HydrophobicContact CD2-CD2 3.94Å; L480-L547 HydrophobicContact CD1-CB 3.66Å; L480-L547 HydrophobicContact CD2-CB 4.34Å; L480-L547 HydrophobicContact CD2-CD1 4.23Å; L480-I548 HydrophobicContact CB-CD1 4.21Å; L480-I548 HydrophobicContact CB-CG1 3.61Å; L480-I548 HydrophobicContact CD1-CG1 4.13Å; L480-N551 HydrophobicContact CD1-CB 4.38Å
481	Y	86	Confident	80.7	Confident	119 Å²	119	61.2 Å²	61.2	47%	0.467	29%	0.287	S	S	.	.	H	α-helix	trans	-67.5	-45.9	176.9	-83	-85.7	0	0	0	112	N479 K484 L485 I548 D552	N479-Y481 PolarHBondContact O-N 2.86Å; N479-Y481 VanDerWaalsContact O-N 3.16Å; N479-Y481 WeakPolarHBondContact OD1-CB 3.38Å; N479-Y481 PolarHBondContact OD1-N 3.22Å; N479-Y481 VanDerWaalsContact OD1-N 3.17Å; Y481-K484 PolarHBondContact O-N 3.17Å; Y481-L485 PolarHBondContact O-N 3.17Å; Y481-I548 HydrophobicContact CD1-CD1 4.43Å; Y481-I548 HydrophobicContact CD2-CG1 4.45Å; Y481-I548 HydrophobicContact CD2-CG2 4.47Å; Y481-I548 HydrophobicContact CE1-CG2 4.13Å; Y481-I548 HydrophobicContact CE2-CG1 4.41Å; Y481-I548 HydrophobicContact CE2-CG2 3.67Å; Y481-I548 HydrophobicContact CG-CD1 4.43Å; Y481-I548 VanDerWaalsContact CZ-CG2 3.47Å; Y481-I548 WeakPolarHBondContact OH-CG2 3.16Å; Y481-D552 WeakPolarHBondContact CE2-OD2 3.41Å; Y481-D552 PolarHBondContact OH-OD2 2.68Å
482	D	85.5	Confident	81.2	Confident	27 Å²	27	61.7 Å²	61.7	14%	0.144	29%	0.294	C	S	.	.	H	α-helix	trans	-65.5	-40.1	175.6	-62.2	-41.6	0	0	0	110.5	I473 K475 I478 N479 L485 L486	I473-D482 HydrophobicContact CD1-CB 4.2Å; K475-D482 IonicContact NZ-OD1 2.66Å; K475-D482 PolarHBondContact NZ-OD1 2.85Å; K475-D482 IonicContact NZ-OD2 3.58Å; K475-D482 PolarHBondContact NZ-OD2 2.78Å; I478-D482 HydrophobicContact CG2-CB 3.52Å; N479-D482 PolarHBondContact O-N 3.18Å; N479-D482 VanDerWaalsContact O-N 3.09Å; N479-D482 VanDerWaalsContact OD1-CG 3.32Å; N479-D482 PolarHBondContact OD1-N 3.19Å; N479-D482 PolarHBondContact OD1-OD2 2.75Å; D482-L485 WeakPolarHBondContact O-CB 3.49Å; D482-L485 PolarHBondContact O-N 2.94Å; D482-L486 WeakPolarHBondContact O-CG 3.37Å; D482-L486 PolarHBondContact O-N 3.09Å
483	L	86.4	Confident	81.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-42.2	173.1	-72	174.1	0	0	0	112.6	F323 L327 I330 V395 L400 I478 N479 L485 L486 L487 L544	F323-L483 HydrophobicContact CE2-CD2 4.01Å; F323-L483 HydrophobicContact CZ-CD2 4.28Å; L327-L483 HydrophobicContact CD2-CB 4.29Å; L327-L483 HydrophobicContact CD2-CD1 4.14Å; L327-L483 HydrophobicContact CD2-CD2 4.12Å; L327-L483 HydrophobicContact CD2-CG 4.42Å; I330-L483 HydrophobicContact CD1-CD1 3.67Å; V395-L483 HydrophobicContact CG2-CD1 4.04Å; L400-L483 HydrophobicContact CD2-CD2 3.96Å; I478-L483 HydrophobicContact CG2-CD2 3.89Å; I478-L483 HydrophobicContact CG2-CG 3.89Å; N479-L483 WeakPolarHBondContact O-CG 3.33Å; N479-L483 PolarHBondContact O-N 3.16Å; L483-L485 VanDerWaalsContact C-N 3.33Å; L483-L485 PolarHBondContact O-N 3.38Å; L483-L486 PolarHBondContact O-N 3.39Å; L483-L487 WeakPolarHBondContact O-CB 3.09Å; L483-L487 PolarHBondContact O-N 3.13Å; L483-L544 HydrophobicContact CB-CD2 4.07Å
484	K	87.5	Confident	81.4	Confident	66 Å²	66	53.5 Å²	53.5	29%	0.287	26%	0.258	S	S	.	.	H	α-helix	trans	-64	-37.6	175.3	-176.7	178.7	178	-176.2	0	111.8	L480 Y481 L487 K488 I545 I548	L480-K484 WeakPolarHBondContact O-CB 3.22Å; L480-K484 PolarHBondContact O-N 3.01Å; Y481-K484 PolarHBondContact O-N 3.17Å; K484-L487 PolarHBondContact O-N 3.32Å; K484-K488 WeakPolarHBondContact O-CB 3.23Å; K484-K488 PolarHBondContact O-N 2.94Å; K484-I545 HydrophobicContact CD-CG1 4.38Å; K484-I548 HydrophobicContact CB-CD1 4.31Å; K484-I548 HydrophobicContact CD-CD1 3.89Å
485	L	86.2	Confident	81.7	Confident	99 Å²	99	49.9 Å²	49.9	52%	0.518	24%	0.236	S	C	.	.	H	α-helix	trans	-64.9	-41.9	175	-169.4	70.7	0	0	0	111.5	Y481 D482 L483 K488 S489	Y481-L485 PolarHBondContact O-N 3.17Å; D482-L485 WeakPolarHBondContact O-CB 3.49Å; D482-L485 PolarHBondContact O-N 2.94Å; L483-L485 VanDerWaalsContact C-N 3.33Å; L483-L485 PolarHBondContact O-N 3.38Å; L485-K488 PolarHBondContact O-N 3.32Å; L485-S489 PolarHBondContact O-N 3.37Å
486	L	85.3	Confident	81.7	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-45.7	174.2	-67.6	172.2	0	0	0	112	F323 L400 Q469 L470 I473 I478 D482 L483 K488 S489 A490	F323-L486 HydrophobicContact CE1-CB 4.28Å; F323-L486 HydrophobicContact CE2-CB 4.35Å; F323-L486 HydrophobicContact CE2-CD1 4.49Å; F323-L486 HydrophobicContact CZ-CB 3.77Å; L400-L486 HydrophobicContact CD2-CD1 4.25Å; Q469-L486 HydrophobicContact CB-CD2 3.77Å; L470-L486 HydrophobicContact CB-CD1 4.49Å; L470-L486 HydrophobicContact CB-CD2 3.91Å; L470-L486 HydrophobicContact CD1-CD1 3.94Å; I473-L486 HydrophobicContact CD1-CD1 3.96Å; I473-L486 HydrophobicContact CD1-CD2 4.12Å; I473-L486 HydrophobicContact CD1-CG 4.12Å; I478-L486 HydrophobicContact CG2-CD1 4.42Å; D482-L486 WeakPolarHBondContact O-CG 3.37Å; D482-L486 PolarHBondContact O-N 3.09Å; L483-L486 PolarHBondContact O-N 3.39Å; L486-K488 VanDerWaalsContact C-N 3.33Å; L486-K488 PolarHBondContact O-N 3.4Å; L486-S489 PolarHBondContact O-N 3.1Å; L486-A490 WeakPolarHBondContact O-CB 3.41Å; L486-A490 PolarHBondContact O-N 2.73Å
487	L	85.5	Confident	81.6	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-42.9	176.4	-176.4	61.5	0	0	0	111.7	F323 L327 L483 K484 A490 S491 L537 Q540 E541 L544	F323-L487 HydrophobicContact CD1-CD1 4.4Å; F323-L487 HydrophobicContact CE1-CB 3.86Å; F323-L487 HydrophobicContact CE1-CD1 4.02Å; F323-L487 HydrophobicContact CZ-CB 4.49Å; L327-L487 HydrophobicContact CD1-CB 4.41Å; L327-L487 HydrophobicContact CD1-CD1 3.97Å; L327-L487 HydrophobicContact CD1-CD2 4.12Å; L327-L487 HydrophobicContact CD1-CG 4.4Å; L483-L487 WeakPolarHBondContact O-CB 3.09Å; L483-L487 PolarHBondContact O-N 3.13Å; K484-L487 PolarHBondContact O-N 3.32Å; L487-A490 WeakPolarHBondContact O-CB 3.44Å; L487-A490 PolarHBondContact O-N 2.77Å; L487-S491 WeakPolarHBondContact O-CB 3.4Å; L487-S491 PolarHBondContact O-N 3.48Å; L487-L537 HydrophobicContact CD1-CB 4.32Å; L487-L537 HydrophobicContact CD1-CD2 3.47Å; L487-L537 VanDerWaalsContact CD1-CD2 3.47Å; L487-L537 HydrophobicContact CD1-CG 4.44Å; L487-Q540 HydrophobicContact CD2-CB 3.91Å; L487-E541 HydrophobicContact CD2-CB 3.92Å; L487-L544 HydrophobicContact CB-CD1 4.37Å; L487-L544 HydrophobicContact CD2-CD1 3.71Å
488	K	84.7	Confident	81.3	Confident	108 Å²	108	41.6 Å²	41.6	47%	0.47	20%	0.199	S	C	.	.	H	α-helix	trans	-62.2	-47.6	173.4	176	159.6	-177.2	162.8	0	111.5	K484 L485 L486 A490 S491 D492	K484-K488 WeakPolarHBondContact O-CB 3.23Å; K484-K488 PolarHBondContact O-N 2.94Å; L485-K488 PolarHBondContact O-N 3.32Å; L486-K488 VanDerWaalsContact C-N 3.33Å; L486-K488 PolarHBondContact O-N 3.4Å; K488-A490 PolarHBondContact O-N 2.26Å; K488-S491 PolarHBondContact O-N 3.42Å; K488-D492 WeakPolarHBondContact CE-OD1 3.1Å; K488-D492 WeakPolarHBondContact CE-OD2 3.5Å; K488-D492 VanDerWaalsContact CG-OD2 3.31Å; K488-D492 WeakPolarHBondContact CG-OD2 3.49Å; K488-D492 WeakPolarHBondContact O-CB 3.43Å; K488-D492 VanDerWaalsContact O-CG 3.28Å; K488-D492 PolarHBondContact O-N 3.11Å
489	S	83.1	Confident	80.9	Confident	9 Å²	9	44.6 Å²	44.6	6%	0.063	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-29.8	178.2	-173.7	0	0	0	0	113.3	Q469 L485 L486 E493	Q469-S489 VanDerWaalsContact CD-CB 3.4Å; Q469-S489 VanDerWaalsContact NE2-CB 3.33Å; Q469-S489 PolarHBondContact NE2-OG 2.89Å; Q469-S489 VanDerWaalsContact NE2-OG 3.09Å; L485-S489 PolarHBondContact O-N 3.37Å; L486-S489 PolarHBondContact O-N 3.1Å; S489-E493 WeakPolarHBondContact O-CB 2.84Å; S489-E493 PolarHBondContact O-N 3.42Å
490	A	80	Confident	80.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-70.6	-48.6	173.7	0	0	0	0	0	110.6	V320 F466 L486 L487 K488 F494	V320-A490 HydrophobicContact CG2-CB 4.16Å; F466-A490 HydrophobicContact CB-CB 4.03Å; F466-A490 HydrophobicContact CD1-CB 3.96Å; F466-A490 HydrophobicContact CD2-CB 4.44Å; F466-A490 HydrophobicContact CG-CB 3.9Å; L486-A490 WeakPolarHBondContact O-CB 3.41Å; L486-A490 PolarHBondContact O-N 2.73Å; L487-A490 WeakPolarHBondContact O-CB 3.44Å; L487-A490 PolarHBondContact O-N 2.77Å; K488-A490 PolarHBondContact O-N 2.26Å; A490-F494 WeakPolarHBondContact O-CB 3.43Å; A490-F494 PolarHBondContact O-N 2.91Å
491	S	79.7	Confident	79.3	Confident	37 Å²	37	43.5 Å²	43.5	26%	0.259	21%	0.207	S	C	.	.	H	α-helix	trans	-64.6	-43.5	177.9	-169.6	0	0	0	0	113	L487 K488 F494 H495	L487-S491 WeakPolarHBondContact O-CB 3.4Å; L487-S491 PolarHBondContact O-N 3.48Å; K488-S491 PolarHBondContact O-N 3.42Å; S491-F494 PolarHBondContact O-N 3.21Å; S491-H495 VanDerWaalsContact O-CB 3.23Å; S491-H495 WeakPolarHBondContact O-CB 3.47Å; S491-H495 PolarHBondContact O-N 3.38Å
492	D	79.5	Confident	78.3	Confident	80 Å²	80	42.2 Å²	42.2	43%	0.428	20%	0.204	S	C	.	.	H	α-helix	trans	-62.1	-47.3	179.5	-72	-16	0	0	0	110.7	K488 H495 E496	K488-D492 WeakPolarHBondContact CE-OD1 3.1Å; K488-D492 WeakPolarHBondContact CE-OD2 3.5Å; K488-D492 VanDerWaalsContact CG-OD2 3.31Å; K488-D492 WeakPolarHBondContact CG-OD2 3.49Å; K488-D492 WeakPolarHBondContact O-CB 3.43Å; K488-D492 VanDerWaalsContact O-CG 3.28Å; K488-D492 PolarHBondContact O-N 3.11Å; D492-H495 PolarHBondContact O-N 2.93Å; D492-E496 WeakPolarHBondContact O-CG 3.25Å; D492-E496 PolarHBondContact O-N 3.16Å
493	E	77.9	Confident	77.5	Confident	10 Å²	10	47.6 Å²	47.6	5%	0.047	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-42.2	177.1	176.8	170.7	-137.6	0	0	112.5	P464 K465 S489 H495 E496 L497	P464-E493 WeakPolarHBondContact CA-OE1 2.66Å; P464-E493 WeakPolarHBondContact CA-OE2 3.18Å; P464-E493 VanDerWaalsContact CB-OE2 3.31Å; P464-E493 WeakPolarHBondContact CB-OE2 3.44Å; K465-E493 HydrophobicContact CB-CB 4.45Å; K465-E493 HydrophobicContact CB-CG 4.46Å; K465-E493 WeakPolarHBondContact CB-OE2 3.33Å; K465-E493 HydrophobicContact CD-CB 4.19Å; K465-E493 HydrophobicContact CD-CG 4.18Å; K465-E493 HydrophobicContact CG-CG 4.44Å; K465-E493 VanDerWaalsContact CG-OE1 3.3Å; K465-E493 WeakPolarHBondContact CG-OE1 3.24Å; K465-E493 PolarHBondContact N-OE1 3.22Å; K465-E493 PolarHBondContact N-OE2 2.88Å; S489-E493 WeakPolarHBondContact O-CB 2.84Å; S489-E493 PolarHBondContact O-N 3.42Å; E493-H495 VanDerWaalsContact C-N 3.29Å; E493-H495 PolarHBondContact O-N 3.42Å; E493-E496 PolarHBondContact O-N 3.25Å; E493-L497 HydrophobicContact CG-CD1 4.27Å; E493-L497 WeakPolarHBondContact O-CG 3.22Å; E493-L497 PolarHBondContact O-N 3.17Å
494	F	73.8	Confident	76.2	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-63.6	-37.7	177.1	-172.1	-99.5	0	0	0	111.7	V320 A490 S491 Y498 L530 L533	V320-F494 HydrophobicContact CG2-CD2 4.46Å; A490-F494 WeakPolarHBondContact O-CB 3.43Å; A490-F494 PolarHBondContact O-N 2.91Å; S491-F494 PolarHBondContact O-N 3.21Å; F494-Y498 WeakPolarHBondContact O-CB 3.43Å; F494-Y498 PolarHBondContact O-N 2.9Å; F494-L530 HydrophobicContact CE1-CB 4.28Å; F494-L530 HydrophobicContact CE1-CD2 4Å; F494-L530 WeakPolarHBondContact CE1-O 3.1Å; F494-L530 HydrophobicContact CE2-CD2 3.54Å; F494-L530 HydrophobicContact CZ-CB 4.15Å; F494-L530 HydrophobicContact CZ-CD2 3.24Å; F494-L530 HydrophobicContact CZ-CG 4.26Å; F494-L533 HydrophobicContact CE1-CB 3.87Å; F494-L533 HydrophobicContact CE2-CB 4.3Å; F494-L533 HydrophobicContact CE2-CD1 3.76Å; F494-L533 HydrophobicContact CZ-CB 3.45Å; F494-L533 VanDerWaalsContact CZ-CB 3.45Å; F494-L533 HydrophobicContact CZ-CD1 3.54Å; F494-L533 HydrophobicContact CZ-CG 4.13Å
495	H	76.2	Confident	74.7	Confident	99 Å²	99	46.1 Å²	46.1	46%	0.458	22%	0.224	S	C	.	.	H	α-helix	trans	-71.3	-40.9	176.9	-167.7	61.4	0	0	0	112.5	S491 D492 E493 L497 Y498 I499	S491-H495 VanDerWaalsContact O-CB 3.23Å; S491-H495 WeakPolarHBondContact O-CB 3.47Å; S491-H495 PolarHBondContact O-N 3.38Å; D492-H495 PolarHBondContact O-N 2.93Å; E493-H495 VanDerWaalsContact C-N 3.29Å; E493-H495 PolarHBondContact O-N 3.42Å; H495-L497 PolarHBondContact O-N 3.45Å; H495-Y498 PolarHBondContact O-N 3.21Å; H495-I499 WeakPolarHBondContact NE2-CD1 3.46Å; H495-I499 WeakPolarHBondContact O-CB 3.44Å; H495-I499 WeakPolarHBondContact O-CG1 3.3Å; H495-I499 PolarHBondContact O-N 3.48Å
496	E	76.9	Confident	73.1	Confident	95 Å²	95	45.4 Å²	45.4	44%	0.444	22%	0.22	S	C	.	.	H	α-helix	trans	-56.8	-47.4	170.8	-74.6	171.7	149.6	0	0	111.6	K465 D492 E493 I499 F500	K465-E496 IonicContact NZ-OE1 3.9Å; K465-E496 PolarHBondContact NZ-OE1 3.5Å; K465-E496 IonicContact NZ-OE2 3.6Å; K465-E496 PolarHBondContact NZ-OE2 2.76Å; D492-E496 WeakPolarHBondContact O-CG 3.25Å; D492-E496 PolarHBondContact O-N 3.16Å; E493-E496 PolarHBondContact O-N 3.25Å; E496-I499 PolarHBondContact O-N 3.36Å; E496-F500 WeakPolarHBondContact O-CB 3.15Å; E496-F500 PolarHBondContact O-N 3.17Å
497	L	71.6	Confident	71.5	Confident	10 Å²	10	48.8 Å²	48.8	5%	0.052	24%	0.238	C	C	.	.	H	α-helix	trans	-64.6	-40.5	178.9	-70.9	170.6	0	0	0	111.9	L271 L309 L313 C316 E493 H495 M501	L271-L497 HydrophobicContact CD2-CD2 4.49Å; L309-L497 HydrophobicContact CD1-CD2 4.05Å; L313-L497 HydrophobicContact CD1-CB 3.88Å; L313-L497 HydrophobicContact CD1-CD1 4.23Å; C316-L497 HydrophobicContact CB-CD1 3.92Å; E493-L497 HydrophobicContact CG-CD1 4.27Å; E493-L497 WeakPolarHBondContact O-CG 3.22Å; E493-L497 PolarHBondContact O-N 3.17Å; H495-L497 PolarHBondContact O-N 3.45Å; L497-M501 WeakPolarHBondContact O-CG 3.27Å; L497-M501 PolarHBondContact O-N 3.47Å; L497-M501 VanDerWaalsContact O-N 3.09Å
498	Y	71.6	Confident	69.5	Low	44 Å²	44	56.9 Å²	56.9	17%	0.173	28%	0.276	C	S	.	.	H	α-helix	trans	-65.2	-47.6	175.4	171.1	-120.9	0	0	0	112.5	F494 H495 M501 K502 E527 L530	F494-Y498 WeakPolarHBondContact O-CB 3.43Å; F494-Y498 PolarHBondContact O-N 2.9Å; H495-Y498 PolarHBondContact O-N 3.21Å; Y498-M501 PolarHBondContact O-N 2.83Å; Y498-K502 HydrophobicContact CE1-CD 4.36Å; Y498-K502 HydrophobicContact CE2-CD 4.06Å; Y498-K502 WeakPolarHBondContact O-CB 3.34Å; Y498-K502 PolarHBondContact O-N 3.36Å; Y498-K502 WeakPolarHBondContact OH-CD 3.28Å; Y498-K502 PolarHBondContact OH-NZ 2.68Å; Y498-E527 HydrophobicContact CE2-CG 4.17Å; Y498-E527 PolarHBondContact OH-OE1 2.91Å; Y498-L530 HydrophobicContact CD2-CB 4.22Å; Y498-L530 HydrophobicContact CD2-CD1 3.6Å; Y498-L530 HydrophobicContact CE2-CD1 4.39Å; Y498-L530 HydrophobicContact CG-CD1 4.35Å
499	I	71.2	Confident	67.5	Low	63 Å²	63	58.3 Å²	58.3	32%	0.323	28%	0.284	S	S	.	.	H	α-helix	trans	-59.7	-48.7	176.1	-73.7	177.9	0	0	0	110.1	H495 E496 M501 K502 E503	H495-I499 WeakPolarHBondContact NE2-CD1 3.46Å; H495-I499 WeakPolarHBondContact O-CB 3.44Å; H495-I499 WeakPolarHBondContact O-CG1 3.3Å; H495-I499 PolarHBondContact O-N 3.48Å; E496-I499 PolarHBondContact O-N 3.36Å; I499-M501 VanDerWaalsContact C-N 3.3Å; I499-M501 PolarHBondContact O-N 3.44Å; I499-K502 PolarHBondContact O-N 2.98Å; I499-K502 VanDerWaalsContact O-N 3.09Å; I499-E503 HydrophobicContact CG2-CG 4.05Å; I499-E503 WeakPolarHBondContact O-CB 3.45Å; I499-E503 WeakPolarHBondContact O-CG 3.24Å; I499-E503 PolarHBondContact O-N 2.71Å
500	F	69.6	Low	65.8	Low	27 Å²	27	57.9 Å²	57.9	12%	0.118	28%	0.281	C	S	.	.	H	α-helix	trans	-56.4	-45.5	-180	-178.4	-86.7	0	0	0	111.8	N267 L268 L271 L309 E496 N504	N267-F500 HydrophobicContact CB-CE2 4.18Å; N267-F500 HydrophobicContact CB-CZ 4.3Å; L268-F500 HydrophobicContact CD2-CE1 3.67Å; L268-F500 HydrophobicContact CD2-CZ 3.8Å; L268-F500 HydrophobicContact CG-CE1 4.36Å; L268-F500 HydrophobicContact CG-CZ 4.07Å; L271-F500 HydrophobicContact CB-CE2 4.2Å; L271-F500 HydrophobicContact CB-CZ 4.45Å; L271-F500 HydrophobicContact CD1-CD2 3.93Å; L271-F500 HydrophobicContact CD1-CE2 4.4Å; L271-F500 HydrophobicContact CD1-CG 4.23Å; L271-F500 HydrophobicContact CD2-CB 4.4Å; L271-F500 HydrophobicContact CD2-CD1 3.63Å; L271-F500 HydrophobicContact CD2-CD2 3.9Å; L271-F500 HydrophobicContact CD2-CE1 3.81Å; L271-F500 HydrophobicContact CD2-CE2 4.04Å; L271-F500 HydrophobicContact CD2-CG 3.68Å; L271-F500 HydrophobicContact CD2-CZ 4.01Å; L271-F500 HydrophobicContact CG-CD2 4.36Å; L271-F500 HydrophobicContact CG-CE2 4.46Å; L309-F500 HydrophobicContact CD1-CD1 4.23Å; L309-F500 HydrophobicContact CD2-CD1 4.11Å; L309-F500 HydrophobicContact CD2-CE1 3.99Å; E496-F500 WeakPolarHBondContact O-CB 3.15Å; E496-F500 PolarHBondContact O-N 3.17Å; F500-N504 WeakPolarHBondContact O-CB 3.45Å; F500-N504 PolarHBondContact O-N 3Å; F500-N504 VanDerWaalsContact O-N 3.09Å; F500-N504 PolarHBondContact O-ND2 2.99Å
501	M	66.5	Low	64	Low	9 Å²	9	59.9 Å²	59.9	4%	0.044	30%	0.295	C	S	.	.	H	α-helix	trans	-63.2	-47.9	174.5	-76	-171	-58.4	0	0	111.9	L309 L313 L497 Y498 I499 E503 N504 L505 L526 L530	L309-M501 HydrophobicContact CD1-CG 4.47Å; L309-M501 HydrophobicContact CD2-CG 4Å; L309-M501 HydrophobicContact CG-CG 4.46Å; L313-M501 HydrophobicContact CD1-CE 3.57Å; L313-M501 HydrophobicContact CD1-SD 4.48Å; L313-M501 HydrophobicContact CD2-CE 3.57Å; L313-M501 HydrophobicContact CD2-SD 3.79Å; L313-M501 HydrophobicContact CG-CE 4.2Å; L497-M501 WeakPolarHBondContact O-CG 3.27Å; L497-M501 PolarHBondContact O-N 3.47Å; L497-M501 VanDerWaalsContact O-N 3.09Å; Y498-M501 PolarHBondContact O-N 2.83Å; I499-M501 VanDerWaalsContact C-N 3.3Å; I499-M501 PolarHBondContact O-N 3.44Å; M501-E503 PolarHBondContact O-N 2.75Å; M501-N504 PolarHBondContact O-N 3.26Å; M501-L505 HydrophobicContact CB-CD1 3.86Å; M501-L505 HydrophobicContact CB-CG 4.44Å; M501-L505 HydrophobicContact CG-CD1 3.92Å; M501-L505 WeakPolarHBondContact O-CA 3.46Å; M501-L505 WeakPolarHBondContact O-CB 3.31Å; M501-L505 WeakPolarHBondContact O-CG 3.39Å; M501-L505 PolarHBondContact O-N 3.3Å; M501-L505 HydrophobicContact SD-CD1 4.49Å; M501-L526 HydrophobicContact CE-CD2 3.9Å; M501-L526 HydrophobicContact SD-CD2 3.72Å; M501-L530 HydrophobicContact CE-CD1 3.53Å
502	K	66.9	Low	62.3	Low	91 Å²	91	60.3 Å²	60.3	40%	0.396	31%	0.306	S	S	.	.	H	α-helix	trans	-62.5	-41.4	-177.1	-172.6	154.1	-177.3	154.1	0	112.5	Y498 I499 N506 E527	Y498-K502 HydrophobicContact CE1-CD 4.36Å; Y498-K502 HydrophobicContact CE2-CD 4.06Å; Y498-K502 WeakPolarHBondContact O-CB 3.34Å; Y498-K502 PolarHBondContact O-N 3.36Å; Y498-K502 WeakPolarHBondContact OH-CD 3.28Å; Y498-K502 PolarHBondContact OH-NZ 2.68Å; I499-K502 PolarHBondContact O-N 2.98Å; I499-K502 VanDerWaalsContact O-N 3.09Å; K502-N506 WeakPolarHBondContact O-CB 3.14Å; K502-E527 IonicContact NZ-OE1 2.74Å; K502-E527 PolarHBondContact NZ-OE1 3.1Å
503	E	67.3	Low	60.6	Low	140 Å²	140	57.9 Å²	57.9	65%	0.654	29%	0.292	S	S	*	.	H	α-helix	trans	-73.1	-38	179.4	-68.5	-177.1	159.8	0	0	113.1	I499 M501	I499-E503 HydrophobicContact CG2-CG 4.05Å; I499-E503 WeakPolarHBondContact O-CB 3.45Å; I499-E503 WeakPolarHBondContact O-CG 3.24Å; I499-E503 PolarHBondContact O-N 2.71Å; M501-E503 PolarHBondContact O-N 2.75Å
504	N	60.2	Low	59.1	Low	23 Å²	23	57.4 Å²	57.4	12%	0.123	29%	0.29	C	S	.	.	H	α-helix	trans	-94.1	-19.8	-174.2	-65.5	-100.3	0	0	0	113.6	M264 N267 F500 M501 S510	M264-N504 HydrophobicContact CE-CB 4.37Å; N267-N504 PolarHBondContact ND2-OD1 2.81Å; F500-N504 WeakPolarHBondContact O-CB 3.45Å; F500-N504 PolarHBondContact O-N 3Å; F500-N504 VanDerWaalsContact O-N 3.09Å; F500-N504 PolarHBondContact O-ND2 2.99Å; M501-N504 PolarHBondContact O-N 3.26Å; N504-S510 WeakPolarHBondContact O-CB 3.45Å; N504-S510 PolarHBondContact O-OG 2.68Å
505	L	56.1	Low	57.8	Low	13 Å²	13	61.2 Å²	61.2	7%	0.068	31%	0.311	C	S	.	.	H	α-helix	trans	-104.6	-25.4	-174.7	-53.7	-179	0	0	0	115.1	M264 M501 F514 I523	M264-L505 HydrophobicContact CE-CD2 4.3Å; M501-L505 HydrophobicContact CB-CD1 3.86Å; M501-L505 HydrophobicContact CB-CG 4.44Å; M501-L505 HydrophobicContact CG-CD1 3.92Å; M501-L505 WeakPolarHBondContact O-CA 3.46Å; M501-L505 WeakPolarHBondContact O-CB 3.31Å; M501-L505 WeakPolarHBondContact O-CG 3.39Å; M501-L505 PolarHBondContact O-N 3.3Å; M501-L505 HydrophobicContact SD-CD1 4.49Å; L505-F514 HydrophobicContact CD2-CD1 4.2Å; L505-F514 HydrophobicContact CD2-CD2 4.15Å; L505-F514 HydrophobicContact CD2-CE1 3.63Å; L505-F514 HydrophobicContact CD2-CE2 3.58Å; L505-F514 HydrophobicContact CD2-CG 4.45Å; L505-F514 HydrophobicContact CD2-CZ 3.28Å; L505-I523 HydrophobicContact CB-CD1 4.21Å; L505-I523 HydrophobicContact CD1-CD1 4.27Å; L505-I523 HydrophobicContact CD1-CG1 4.41Å
506	N	51.9	Low	56.2	Low	83 Å²	83	63.5 Å²	63.5	44%	0.444	32%	0.316	S	S	.	.	S	Bend	trans	-89.4	-0.4	177.8	-80.7	-18.7	0	0	0	114	K502	K502-N506 WeakPolarHBondContact O-CB 3.14Å
507	D	51.1	Low	54.5	Low	74 Å²	74	61.3 Å²	61.3	40%	0.396	31%	0.307	S	S	.	.	S	Bend	trans	-67.3	136.8	177.1	-170	8.9	0	0	0	110.8	H260 Q509 S510 S511	H260-D507 IonicContact CE1-OD2 2.67Å; H260-D507 PolarHBondContact CE1-OD2 3.21Å; D507-Q509 PolarHBondContact O-N 3.45Å; D507-Q509 VanDerWaalsContact O-N 3.1Å; D507-S510 PolarHBondContact O-N 2.9Å; D507-S510 VanDerWaalsContact O-N 3.09Å; D507-S510 PolarHBondContact O-OG 3.38Å; D507-S511 PolarHBondContact O-N 2.97Å
508	Q	44.1	Very low	53.4	Low	173 Å²	173	64.6 Å²	64.6	81%	0.808	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.8	-172.6	-73.8	-169.4	-17.9	0	0	112.2	S511	Q508-S511 WeakPolarHBondContact O-CB 3.26Å; Q508-S511 PolarHBondContact O-OG 2.83Å
509	Q	42.1	Very low	52.4	Low	139 Å²	139	64.3 Å²	64.3	65%	0.65	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-39.6	175	-63.9	-167.8	-8.7	0	0	113.3	H260 D507 S511 G512	H260-Q509 WeakPolarHBondContact NE2-CB 3.42Å; H260-Q509 PolarHBondContact NE2-O 3.46Å; D507-Q509 PolarHBondContact O-N 3.45Å; D507-Q509 VanDerWaalsContact O-N 3.1Å; Q509-S511 PolarHBondContact O-N 2.87Å; Q509-G512 PolarHBondContact O-N 2.85Å
510	S	46.9	Very low	51.3	Low	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-70	-22.5	174.8	58.2	0	0	0	0	111.9	H260 N504 D507 G512 I513 F514	H260-S510 WeakPolarHBondContact NE2-CA 3.22Å; H260-S510 WeakPolarHBondContact NE2-CB 3.32Å; H260-S510 PolarHBondContact NE2-N 2.95Å; N504-S510 WeakPolarHBondContact O-CB 3.45Å; N504-S510 PolarHBondContact O-OG 2.68Å; D507-S510 PolarHBondContact O-N 2.9Å; D507-S510 VanDerWaalsContact O-N 3.09Å; D507-S510 PolarHBondContact O-OG 3.38Å; S510-G512 PolarHBondContact O-N 3.2Å; S510-G512 VanDerWaalsContact O-N 3.09Å; S510-I513 PolarHBondContact O-N 3.43Å; S510-F514 WeakPolarHBondContact O-CD2 3.27Å; S510-F514 PolarHBondContact O-N 2.91Å
511	S	43.9	Very low	50.4	Low	41 Å²	41	68.2 Å²	68.2	29%	0.287	35%	0.35	S	S	.	.	H	α-helix	trans	-52.4	-31.1	172	88.5	0	0	0	0	113.9	D507 Q508 Q509 N515	D507-S511 PolarHBondContact O-N 2.97Å; Q508-S511 WeakPolarHBondContact O-CB 3.26Å; Q508-S511 PolarHBondContact O-OG 2.83Å; Q509-S511 PolarHBondContact O-N 2.87Å; S511-N515 WeakPolarHBondContact O-CB 3.48Å; S511-N515 PolarHBondContact O-N 2.88Å; S511-N515 PolarHBondContact O-ND2 3.35Å
512	G	42.3	Very low	49.7	Very low	47 Å²	47	70.9 Å²	70.9	49%	0.485	37%	0.37	S	S	.	.	H	α-helix	trans	-62.6	-49.9	174.4	0	0	0	0	0	112.3	Q509 S510 W516	Q509-G512 PolarHBondContact O-N 2.85Å; S510-G512 PolarHBondContact O-N 3.2Å; S510-G512 VanDerWaalsContact O-N 3.09Å; G512-W516 WeakPolarHBondContact O-CB 3.46Å; G512-W516 PolarHBondContact O-N 3.2Å
513	I	44	Very low	49	Very low	28 Å²	28	67.4 Å²	67.4	14%	0.144	36%	0.355	C	S	.	.	H	α-helix	trans	-66.3	-40.1	179	-58.4	167.6	0	0	0	110.6	M302 S510 W516 L517	M302-I513 HydrophobicContact CE-CD1 4.44Å; M302-I513 HydrophobicContact CE-CG2 4.29Å; S510-I513 PolarHBondContact O-N 3.43Å; I513-W516 WeakPolarHBondContact O-CB 3.35Å; I513-W516 PolarHBondContact O-N 2.99Å; I513-L517 HydrophobicContact CG2-CD1 4.38Å; I513-L517 WeakPolarHBondContact O-CG 3.2Å; I513-L517 PolarHBondContact O-N 3.28Å
514	F	46.8	Very low	48.4	Very low	1 Å²	1	65.1 Å²	65.1	0%	0.004	35%	0.347	C	S	.	.	H	α-helix	trans	-80.8	-24.8	-178.5	-78.1	-88.2	0	0	0	114.2	M264 I306 L505 S510 L517 N518 L519 I523	M264-F514 HydrophobicContact CE-CE2 3.76Å; M264-F514 HydrophobicContact CE-CZ 4.18Å; M264-F514 HydrophobicContact SD-CE2 4.04Å; I306-F514 HydrophobicContact CD1-CE1 4.3Å; I306-F514 HydrophobicContact CD1-CE2 4.49Å; I306-F514 HydrophobicContact CD1-CZ 3.64Å; I306-F514 HydrophobicContact CG1-CZ 4.24Å; I306-F514 HydrophobicContact CG2-CE1 4.41Å; L505-F514 HydrophobicContact CD2-CD1 4.2Å; L505-F514 HydrophobicContact CD2-CD2 4.15Å; L505-F514 HydrophobicContact CD2-CE1 3.63Å; L505-F514 HydrophobicContact CD2-CE2 3.58Å; L505-F514 HydrophobicContact CD2-CG 4.45Å; L505-F514 HydrophobicContact CD2-CZ 3.28Å; S510-F514 WeakPolarHBondContact O-CD2 3.27Å; S510-F514 PolarHBondContact O-N 2.91Å; F514-L517 HydrophobicContact CD1-CD1 4.39Å; F514-L517 HydrophobicContact CE1-CD1 4.22Å; F514-L517 CarbonylContact O-C 3.58Å; F514-N518 PolarHBondContact O-N 2.94Å; F514-L519 HydrophobicContact CD1-CB 4.04Å; F514-L519 HydrophobicContact CD1-CD1 3.65Å; F514-L519 HydrophobicContact CD1-CG 4.5Å; F514-L519 HydrophobicContact CE1-CD1 3.8Å; F514-L519 PolarHBondContact O-N 3.31Å; F514-I523 HydrophobicContact CD1-CD1 4.27Å
515	N	46.3	Very low	48.3	Very low	85 Å²	85	67.5 Å²	67.5	46%	0.455	36%	0.36	S	S	.	.	H	α-helix	trans	-69.2	-37	163.6	-76.7	-42	0	0	0	111.2	S511 N518 T520	S511-N515 WeakPolarHBondContact O-CB 3.48Å; S511-N515 PolarHBondContact O-N 2.88Å; S511-N515 PolarHBondContact O-ND2 3.35Å; N515-N518 WeakPolarHBondContact O-CA 3.32Å; N515-N518 PolarHBondContact O-N 3.18Å; N515-T520 WeakPolarHBondContact OD1-CG2 3.43Å; N515-T520 PolarHBondContact OD1-OG1 3.25Å
516	W	42.1	Very low	48.4	Very low	148 Å²	148	68.9 Å²	68.9	56%	0.561	37%	0.367	S	S	*	.	H	α-helix	trans	-65.8	-39.4	173.9	-164.8	92.6	0	0	0	112.3	C194 F299 G512 I513 N518	C194-W516 HydrophobicContact CB-CZ2 4.49Å; F299-W516 HydrophobicContact CE1-CZ3 4.46Å; F299-W516 HydrophobicContact CZ-CE3 4.35Å; F299-W516 HydrophobicContact CZ-CH2 4.43Å; F299-W516 AromaticContact CZ-CZ3 3.8Å; F299-W516 HydrophobicContact CZ-CZ3 3.8Å; G512-W516 WeakPolarHBondContact O-CB 3.46Å; G512-W516 PolarHBondContact O-N 3.2Å; I513-W516 WeakPolarHBondContact O-CB 3.35Å; I513-W516 PolarHBondContact O-N 2.99Å; W516-N518 PolarHBondContact O-N 2.99Å
517	L	42.6	Very low	48.9	Very low	49 Å²	49	67.1 Å²	67.1	26%	0.257	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-4.3	167.8	-67.2	173	0	0	0	113.7	I306 I513 F514 L519	I306-L517 HydrophobicContact CD1-CD1 4.46Å; I513-L517 HydrophobicContact CG2-CD1 4.38Å; I513-L517 WeakPolarHBondContact O-CG 3.2Å; I513-L517 PolarHBondContact O-N 3.28Å; F514-L517 HydrophobicContact CD1-CD1 4.39Å; F514-L517 HydrophobicContact CE1-CD1 4.22Å; F514-L517 CarbonylContact O-C 3.58Å; L517-L519 VanDerWaalsContact C-N 3.28Å; L517-L519 HydrophobicContact CB-CD1 3.91Å; L517-L519 HydrophobicContact CB-CG 4.26Å; L517-L519 HydrophobicContact CD1-CD1 4.29Å; L517-L519 PolarHBondContact O-N 3.49Å
518	N	48.7	Very low	49.4	Very low	78 Å²	78	67 Å²	67	42%	0.417	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	32.6	176	-154	108.4	0	0	0	114.1	K190 F514 N515 W516	K190-N518 PolarHBondContact NZ-OD1 3.29Å; F514-N518 PolarHBondContact O-N 2.94Å; N515-N518 WeakPolarHBondContact O-CA 3.32Å; N515-N518 PolarHBondContact O-N 3.18Å; W516-N518 PolarHBondContact O-N 2.99Å
519	L	49.1	Very low	50.3	Low	38 Å²	38	61.7 Å²	61.7	20%	0.199	34%	0.335	C	S	.	.			trans	-96.4	-9.5	-171.7	-84.4	167.9	0	0	0	115.1	F310 F514 L517 N521 S522 I523	F310-L519 HydrophobicContact CE2-CD1 4.21Å; F310-L519 HydrophobicContact CZ-CD2 4.47Å; F514-L519 HydrophobicContact CD1-CB 4.04Å; F514-L519 HydrophobicContact CD1-CD1 3.65Å; F514-L519 HydrophobicContact CD1-CG 4.5Å; F514-L519 HydrophobicContact CE1-CD1 3.8Å; F514-L519 PolarHBondContact O-N 3.31Å; L517-L519 VanDerWaalsContact C-N 3.28Å; L517-L519 HydrophobicContact CB-CD1 3.91Å; L517-L519 HydrophobicContact CB-CG 4.26Å; L517-L519 HydrophobicContact CD1-CD1 4.29Å; L517-L519 PolarHBondContact O-N 3.49Å; L519-N521 PolarHBondContact O-N 3.45Å; L519-S522 WeakPolarHBondContact O-CA 3.36Å; L519-S522 WeakPolarHBondContact O-CB 3.38Å; L519-S522 PolarHBondContact O-N 3.42Å; L519-I523 HydrophobicContact CB-CD1 4.32Å; L519-I523 WeakPolarHBondContact O-CG1 3.46Å; L519-I523 PolarHBondContact O-N 3.02Å
520	T	48.8	Very low	51.3	Low	50 Å²	50	55.4 Å²	55.4	31%	0.307	31%	0.306	S	S	.	.	H	α-helix	trans	-56.8	-40.4	-170.6	4.6	0	0	0	0	114	N515	N515-T520 WeakPolarHBondContact OD1-CG2 3.43Å; N515-T520 PolarHBondContact OD1-OG1 3.25Å
521	N	50.9	Low	52.3	Low	123 Å²	123	58.6 Å²	58.6	66%	0.658	33%	0.328	S	S	*	.	H	α-helix	trans	-67.1	-42.4	174.6	-70.7	-3.6	0	0	0	111.7	L519 I523 N524 D525	L519-N521 PolarHBondContact O-N 3.45Å; N521-I523 VanDerWaalsContact C-N 3.28Å; N521-I523 PolarHBondContact O-N 3.28Å; N521-N524 PolarHBondContact O-N 3.3Å; N521-D525 PolarHBondContact O-N 2.88Å; N521-D525 VanDerWaalsContact O-N 3.16Å
522	S	51.1	Low	53.5	Low	65 Å²	65	59.3 Å²	59.3	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-63.4	-33.3	-179.6	-47.1	0	0	0	0	112.5	L519 L526	L519-S522 WeakPolarHBondContact O-CA 3.36Å; L519-S522 WeakPolarHBondContact O-CB 3.38Å; L519-S522 PolarHBondContact O-N 3.42Å; S522-L526 WeakPolarHBondContact O-CB 3.49Å; S522-L526 PolarHBondContact O-N 3.17Å
523	I	52.1	Low	54.8	Low	17 Å²	17	57.4 Å²	57.4	9%	0.087	30%	0.303	C	S	.	.	H	α-helix	trans	-66	-40.9	176.7	-67.9	162.8	0	0	0	111	L505 F514 L519 N521 L526 E527	L505-I523 HydrophobicContact CB-CD1 4.21Å; L505-I523 HydrophobicContact CD1-CD1 4.27Å; L505-I523 HydrophobicContact CD1-CG1 4.41Å; F514-I523 HydrophobicContact CD1-CD1 4.27Å; L519-I523 HydrophobicContact CB-CD1 4.32Å; L519-I523 WeakPolarHBondContact O-CG1 3.46Å; L519-I523 PolarHBondContact O-N 3.02Å; N521-I523 VanDerWaalsContact C-N 3.28Å; N521-I523 PolarHBondContact O-N 3.28Å; I523-L526 WeakPolarHBondContact O-CB 3.37Å; I523-L526 PolarHBondContact O-N 3.21Å; I523-E527 PolarHBondContact O-N 3.17Å
524	N	55.1	Low	56.1	Low	92 Å²	92	58.4 Å²	58.4	49%	0.492	31%	0.312	S	S	.	.	H	α-helix	trans	-68.5	-39	177.7	-66.9	-18.3	0	0	0	112.4	N521 L526 E527 D528	N521-N524 PolarHBondContact O-N 3.3Å; N524-L526 VanDerWaalsContact C-N 3.32Å; N524-E527 PolarHBondContact O-N 3.17Å; N524-D528 PolarHBondContact O-N 3.15Å
525	D	58.7	Low	57.2	Low	74 Å²	74	60 Å²	60	40%	0.396	33%	0.328	S	S	.	.	H	α-helix	trans	-68.5	-33.4	174.1	-72.6	-37.8	0	0	0	112	N521 V529 K626	N521-D525 PolarHBondContact O-N 2.88Å; N521-D525 VanDerWaalsContact O-N 3.16Å; D525-V529 WeakPolarHBondContact O-CG2 3.34Å; D525-V529 PolarHBondContact O-N 3.4Å; D525-K626 WeakPolarHBondContact OD1-CE 3.33Å; D525-K626 IonicContact OD1-NZ 2.75Å; D525-K626 PolarHBondContact OD1-NZ 3.49Å; D525-K626 IonicContact OD2-NZ 2.63Å
526	L	58.9	Low	58.7	Low	41 Å²	41	57.3 Å²	57.3	22%	0.215	31%	0.314	C	S	.	.	H	α-helix	trans	-66.2	-44.7	173.9	-166.1	73.9	0	0	0	111.2	F310 L313 M501 S522 I523 N524 D528 V529 L530	F310-L526 HydrophobicContact CE1-CD2 4.07Å; L313-L526 HydrophobicContact CD2-CD1 3.84Å; L313-L526 HydrophobicContact CD2-CD2 3.73Å; L313-L526 HydrophobicContact CD2-CG 4.16Å; M501-L526 HydrophobicContact CE-CD2 3.9Å; M501-L526 HydrophobicContact SD-CD2 3.72Å; S522-L526 WeakPolarHBondContact O-CB 3.49Å; S522-L526 PolarHBondContact O-N 3.17Å; I523-L526 WeakPolarHBondContact O-CB 3.37Å; I523-L526 PolarHBondContact O-N 3.21Å; N524-L526 VanDerWaalsContact C-N 3.32Å; L526-D528 VanDerWaalsContact C-N 3.31Å; L526-D528 PolarHBondContact O-N 3.46Å; L526-V529 PolarHBondContact O-N 3.47Å; L526-V529 VanDerWaalsContact O-N 3.13Å; L526-L530 HydrophobicContact CD2-CD1 4.4Å; L526-L530 HydrophobicContact CG-CD1 4.03Å; L526-L530 HydrophobicContact CG-CG 4.34Å; L526-L530 VanDerWaalsContact O-CG 3.24Å; L526-L530 WeakPolarHBondContact O-CG 3.43Å; L526-L530 PolarHBondContact O-N 3.02Å
527	E	61.6	Low	60.5	Low	47 Å²	47	50.4 Å²	50.4	22%	0.22	29%	0.288	C	S	.	.	H	α-helix	trans	-58.2	-40.8	178.7	179.5	153	-133.1	0	0	112.4	Y498 K502 I523 N524 L530 C531	Y498-E527 HydrophobicContact CE2-CG 4.17Å; Y498-E527 PolarHBondContact OH-OE1 2.91Å; K502-E527 IonicContact NZ-OE1 2.74Å; K502-E527 PolarHBondContact NZ-OE1 3.1Å; I523-E527 PolarHBondContact O-N 3.17Å; N524-E527 PolarHBondContact O-N 3.17Å; E527-L530 PolarHBondContact O-N 3.01Å; E527-C531 WeakPolarHBondContact O-CB 3.36Å; E527-C531 PolarHBondContact O-N 2.9Å; E527-C531 PolarHBondContact O-SG 3.46Å
528	D	61.7	Low	62.3	Low	71 Å²	71	50.9 Å²	50.9	38%	0.38	29%	0.293	S	S	.	.	H	α-helix	trans	-64	-41.1	175.2	-167.3	67.3	0	0	0	112.3	N524 L526 C531 R532	N524-D528 PolarHBondContact O-N 3.15Å; L526-D528 VanDerWaalsContact C-N 3.31Å; L526-D528 PolarHBondContact O-N 3.46Å; D528-C531 PolarHBondContact O-N 2.91Å; D528-R532 VanDerWaalsContact O-CG 3.27Å; D528-R532 WeakPolarHBondContact O-CG 3.27Å; D528-R532 PolarHBondContact O-N 3.28Å; D528-R532 IonicContact OD2-CZ 2.78Å; D528-R532 IonicContact OD2-NE 3.85Å; D528-R532 PolarHBondContact OD2-NE 3Å; D528-R532 IonicContact OD2-NH2 3.87Å; D528-R532 PolarHBondContact OD2-NH2 2.85Å
529	V	62.4	Low	63.8	Low	61 Å²	61	49.1 Å²	49.1	37%	0.37	28%	0.283	S	S	.	.	H	α-helix	trans	-63.9	-41	174.1	171.8	0	0	0	0	111.7	D525 L526 R532 L533	D525-V529 WeakPolarHBondContact O-CG2 3.34Å; D525-V529 PolarHBondContact O-N 3.4Å; L526-V529 PolarHBondContact O-N 3.47Å; L526-V529 VanDerWaalsContact O-N 3.13Å; V529-R532 PolarHBondContact O-N 2.65Å; V529-L533 HydrophobicContact CG1-CD1 4Å; V529-L533 WeakPolarHBondContact O-CG 3.07Å; V529-L533 PolarHBondContact O-N 3.41Å
530	L	63.7	Low	65.5	Low	7 Å²	7	47.4 Å²	47.4	4%	0.037	27%	0.274	C	S	.	.	H	α-helix	trans	-68.7	-39.6	179.3	-62	172.2	0	0	0	111.7	L313 F494 Y498 M501 L526 E527 L533 S534	L313-L530 HydrophobicContact CD1-CD2 4.2Å; F494-L530 HydrophobicContact CE1-CB 4.28Å; F494-L530 HydrophobicContact CE1-CD2 4Å; F494-L530 WeakPolarHBondContact CE1-O 3.1Å; F494-L530 HydrophobicContact CE2-CD2 3.54Å; F494-L530 HydrophobicContact CZ-CB 4.15Å; F494-L530 HydrophobicContact CZ-CD2 3.24Å; F494-L530 HydrophobicContact CZ-CG 4.26Å; Y498-L530 HydrophobicContact CD2-CB 4.22Å; Y498-L530 HydrophobicContact CD2-CD1 3.6Å; Y498-L530 HydrophobicContact CE2-CD1 4.39Å; Y498-L530 HydrophobicContact CG-CD1 4.35Å; M501-L530 HydrophobicContact CE-CD1 3.53Å; L526-L530 HydrophobicContact CD2-CD1 4.4Å; L526-L530 HydrophobicContact CG-CD1 4.03Å; L526-L530 HydrophobicContact CG-CG 4.34Å; L526-L530 VanDerWaalsContact O-CG 3.24Å; L526-L530 WeakPolarHBondContact O-CG 3.43Å; L526-L530 PolarHBondContact O-N 3.02Å; E527-L530 PolarHBondContact O-N 3.01Å; L530-L533 PolarHBondContact O-N 2.87Å; L530-S534 WeakPolarHBondContact O-CB 3.27Å; L530-S534 PolarHBondContact O-N 3.03Å
531	C	67.9	Low	67.2	Low	68 Å²	68	48.6 Å²	48.6	46%	0.459	28%	0.276	S	S	.	.	H	α-helix	trans	-63.3	-42.7	172.6	-74.8	0	0	0	0	112.4	E527 D528 S534 G535	E527-C531 WeakPolarHBondContact O-CB 3.36Å; E527-C531 PolarHBondContact O-N 2.9Å; E527-C531 PolarHBondContact O-SG 3.46Å; D528-C531 PolarHBondContact O-N 2.91Å; C531-S534 PolarHBondContact O-N 3.35Å; C531-G535 PolarHBondContact O-N 3.44Å
532	R	67.9	Low	68.8	Low	55 Å²	55	48.7 Å²	48.7	21%	0.208	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-48.9	175.3	-72	170.4	-165.1	-110.4	2.9	111.8	D528 V529 G535 I536 N627	D528-R532 VanDerWaalsContact O-CG 3.27Å; D528-R532 WeakPolarHBondContact O-CG 3.27Å; D528-R532 PolarHBondContact O-N 3.28Å; D528-R532 IonicContact OD2-CZ 2.78Å; D528-R532 IonicContact OD2-NE 3.85Å; D528-R532 PolarHBondContact OD2-NE 3Å; D528-R532 IonicContact OD2-NH2 3.87Å; D528-R532 PolarHBondContact OD2-NH2 2.85Å; V529-R532 PolarHBondContact O-N 2.65Å; R532-G535 PolarHBondContact O-N 2.59Å; R532-I536 WeakPolarHBondContact O-CG1 3.37Å; R532-I536 PolarHBondContact O-N 3.36Å; R532-N627 PolarHBondContact NH1-OD1 3.39Å; R532-N627 PolarHBondContact NH2-OD1 3.35Å
533	L	69.8	Low	70.5	Confident	8 Å²	8	45.6 Å²	45.6	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-45.3	178.3	-75.9	167.2	0	0	0	111.9	M321 F494 V529 L530 G535 I536 L537	M321-L533 HydrophobicContact CG-CD2 3.54Å; M321-L533 HydrophobicContact SD-CD2 4.45Å; F494-L533 HydrophobicContact CE1-CB 3.87Å; F494-L533 HydrophobicContact CE2-CB 4.3Å; F494-L533 HydrophobicContact CE2-CD1 3.76Å; F494-L533 HydrophobicContact CZ-CB 3.45Å; F494-L533 VanDerWaalsContact CZ-CB 3.45Å; F494-L533 HydrophobicContact CZ-CD1 3.54Å; F494-L533 HydrophobicContact CZ-CG 4.13Å; V529-L533 HydrophobicContact CG1-CD1 4Å; V529-L533 WeakPolarHBondContact O-CG 3.07Å; V529-L533 PolarHBondContact O-N 3.41Å; L530-L533 PolarHBondContact O-N 2.87Å; L533-G535 VanDerWaalsContact C-N 3.25Å; L533-G535 PolarHBondContact O-N 3.49Å; L533-I536 HydrophobicContact CD2-CD1 4.44Å; L533-I536 PolarHBondContact O-N 3.09Å; L533-I536 VanDerWaalsContact O-N 3.12Å; L533-L537 WeakPolarHBondContact O-CG 3.3Å; L533-L537 PolarHBondContact O-N 3.42Å
534	S	71.4	Confident	72.1	Confident	49 Å²	49	44.9 Å²	44.9	34%	0.343	24%	0.242	S	C	.	.	H	α-helix	trans	-58	-37.6	174.7	-178.6	0	0	0	0	112.5	L530 C531 T538	L530-S534 WeakPolarHBondContact O-CB 3.27Å; L530-S534 PolarHBondContact O-N 3.03Å; C531-S534 PolarHBondContact O-N 3.35Å; S534-T538 WeakPolarHBondContact O-CB 3.39Å; S534-T538 PolarHBondContact O-N 3.09Å; S534-T538 VanDerWaalsContact O-N 3.08Å; S534-T538 PolarHBondContact O-OG1 3.09Å
535	G	71.5	Confident	73.6	Confident	33 Å²	33	43.2 Å²	43.2	34%	0.34	23%	0.232	S	C	.	.	H	α-helix	trans	-60.8	-47.7	172.3	0	0	0	0	0	113.3	C531 R532 L533 T538 I539	C531-G535 PolarHBondContact O-N 3.44Å; R532-G535 PolarHBondContact O-N 2.59Å; L533-G535 VanDerWaalsContact C-N 3.25Å; L533-G535 PolarHBondContact O-N 3.49Å; G535-T538 PolarHBondContact O-N 2.87Å; G535-I539 WeakPolarHBondContact O-CG1 3.23Å; G535-I539 PolarHBondContact O-N 2.96Å
536	I	77.7	Confident	74.9	Confident	30 Å²	30	41.3 Å²	41.3	15%	0.154	22%	0.221	C	C	.	.	H	α-helix	trans	-58.2	-54	176.5	-63.1	165.9	0	0	0	110.1	R532 L533 T538 I539 Q540 P603	R532-I536 WeakPolarHBondContact O-CG1 3.37Å; R532-I536 PolarHBondContact O-N 3.36Å; L533-I536 HydrophobicContact CD2-CD1 4.44Å; L533-I536 PolarHBondContact O-N 3.09Å; L533-I536 VanDerWaalsContact O-N 3.12Å; I536-T538 PolarHBondContact O-N 3.43Å; I536-I539 PolarHBondContact O-N 2.9Å; I536-Q540 HydrophobicContact CG2-CG 4.14Å; I536-Q540 WeakPolarHBondContact O-CG 3.32Å; I536-Q540 PolarHBondContact O-N 3.3Å; I536-P603 HydrophobicContact CD1-CB 4.18Å; I536-P603 HydrophobicContact CG1-CB 4.41Å
537	L	78.5	Confident	76.1	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-58	-36.3	-178	-59.2	174.7	0	0	0	112.2	V320 L487 L533 Q540 E541	V320-L537 HydrophobicContact CG1-CD1 3.86Å; V320-L537 HydrophobicContact CG1-CD2 3.73Å; V320-L537 HydrophobicContact CG1-CG 4.22Å; L487-L537 HydrophobicContact CD1-CB 4.32Å; L487-L537 HydrophobicContact CD1-CD2 3.47Å; L487-L537 VanDerWaalsContact CD1-CD2 3.47Å; L487-L537 HydrophobicContact CD1-CG 4.44Å; L533-L537 WeakPolarHBondContact O-CG 3.3Å; L533-L537 PolarHBondContact O-N 3.42Å; L537-Q540 PolarHBondContact O-N 3.21Å; L537-E541 PolarHBondContact O-N 3.16Å
538	T	79.9	Confident	77.3	Confident	59 Å²	59	37.5 Å²	37.5	36%	0.362	20%	0.202	S	C	.	.	H	α-helix	trans	-64.6	-40.6	176	-57.1	0	0	0	0	112.4	S534 G535 I536 R542	S534-T538 WeakPolarHBondContact O-CB 3.39Å; S534-T538 PolarHBondContact O-N 3.09Å; S534-T538 VanDerWaalsContact O-N 3.08Å; S534-T538 PolarHBondContact O-OG1 3.09Å; G535-T538 PolarHBondContact O-N 2.87Å; I536-T538 PolarHBondContact O-N 3.43Å; T538-R542 WeakPolarHBondContact O-CG 3.44Å; T538-R542 PolarHBondContact O-N 2.85Å
539	I	81.2	Confident	78.2	Confident	41 Å²	41	38.5 Å²	38.5	21%	0.21	21%	0.207	C	C	.	.	H	α-helix	trans	-68.8	-42.6	176	-63.8	166.7	0	0	0	110	G535 I536 E541 R542 N543 E599	G535-I539 WeakPolarHBondContact O-CG1 3.23Å; G535-I539 PolarHBondContact O-N 2.96Å; I536-I539 PolarHBondContact O-N 2.9Å; I539-E541 PolarHBondContact O-N 3.34Å; I539-R542 PolarHBondContact O-N 2.98Å; I539-N543 PolarHBondContact O-N 3.36Å; I539-E599 HydrophobicContact CG2-CB 3.81Å
540	Q	84	Confident	79.2	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-36.7	178.5	-65.1	-161.5	-23.3	0	0	112.5	S324 L327 F331 L487 I536 L537 N543 L544	S324-Q540 PolarHBondContact O-NE2 3.31Å; L327-Q540 HydrophobicContact CD1-CB 4.43Å; F331-Q540 HydrophobicContact CD2-CG 4.37Å; F331-Q540 HydrophobicContact CE2-CB 3.71Å; F331-Q540 HydrophobicContact CE2-CG 3.63Å; F331-Q540 HydrophobicContact CZ-CB 4.11Å; F331-Q540 WeakPolarHBondContact CZ-O 3.22Å; L487-Q540 HydrophobicContact CD2-CB 3.91Å; I536-Q540 HydrophobicContact CG2-CG 4.14Å; I536-Q540 WeakPolarHBondContact O-CG 3.32Å; I536-Q540 PolarHBondContact O-N 3.3Å; L537-Q540 PolarHBondContact O-N 3.21Å; Q540-N543 PolarHBondContact O-N 3.4Å; Q540-L544 WeakPolarHBondContact O-CB 3.24Å; Q540-L544 PolarHBondContact O-N 3.06Å
541	E	84.4	Confident	80.2	Confident	76 Å²	76	37.9 Å²	37.9	36%	0.355	20%	0.202	S	C	.	.	H	α-helix	trans	-65.5	-42.7	174.7	-169.9	-178.1	-168.8	0	0	111.4	L487 L537 I539 N543 L544 I545	L487-E541 HydrophobicContact CD2-CB 3.92Å; L537-E541 PolarHBondContact O-N 3.16Å; I539-E541 PolarHBondContact O-N 3.34Å; E541-N543 PolarHBondContact O-N 3.37Å; E541-L544 PolarHBondContact O-N 2.88Å; E541-I545 HydrophobicContact CG-CD1 4.03Å; E541-I545 VanDerWaalsContact O-CG1 3.3Å; E541-I545 WeakPolarHBondContact O-CG1 3.39Å; E541-I545 PolarHBondContact O-N 3.2Å
542	R	85.1	Confident	80.7	Confident	124 Å²	124	38.3 Å²	38.3	47%	0.468	20%	0.2	S	C	.	.	H	α-helix	trans	-60.8	-43.7	175.2	-69.4	175.6	-169.9	169.2	5.3	112.2	T538 I539 I545 K546 E599	T538-R542 WeakPolarHBondContact O-CG 3.44Å; T538-R542 PolarHBondContact O-N 2.85Å; I539-R542 PolarHBondContact O-N 2.98Å; R542-I545 PolarHBondContact O-N 3.32Å; R542-K546 WeakPolarHBondContact O-CG 3.39Å; R542-K546 PolarHBondContact O-N 3.13Å; R542-E599 WeakPolarHBondContact CD-OE2 3.2Å; R542-E599 IonicContact CZ-OE2 2.61Å; R542-E599 IonicContact NH1-OE2 2.64Å; R542-E599 PolarHBondContact NH1-OE2 2.81Å
543	N	86.2	Confident	80.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.7	-42	177.9	-76.2	-17.9	0	0	0	111.2	F331 I539 Q540 E541 I545 K546 L547 L598 E599	F331-N543 HydrophobicContact CD1-CB 3.65Å; F331-N543 HydrophobicContact CD2-CB 4.45Å; F331-N543 HydrophobicContact CE1-CB 3.42Å; F331-N543 VanDerWaalsContact CE1-CB 3.42Å; F331-N543 HydrophobicContact CE2-CB 4.28Å; F331-N543 HydrophobicContact CG-CB 4.19Å; F331-N543 HydrophobicContact CZ-CB 3.77Å; I539-N543 PolarHBondContact O-N 3.36Å; Q540-N543 PolarHBondContact O-N 3.4Å; E541-N543 PolarHBondContact O-N 3.37Å; N543-I545 VanDerWaalsContact C-N 3.32Å; N543-I545 PolarHBondContact O-N 3.48Å; N543-K546 PolarHBondContact O-N 2.9Å; N543-L547 WeakPolarHBondContact O-CG 3.38Å; N543-L547 PolarHBondContact O-N 2.98Å; N543-L598 HydrophobicContact CB-CD2 4.18Å; N543-L598 WeakPolarHBondContact OD1-CA 3.43Å; N543-E599 PolarHBondContact ND2-O 3.5Å; N543-E599 PolarHBondContact OD1-N 3.24Å
544	L	86.9	Confident	80.9	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-39.8	172.2	-92.2	160.4	0	0	0	112.6	L327 F331 L480 L483 L487 Q540 E541 L547 I548	L327-L544 HydrophobicContact CD1-CD1 4.04Å; L327-L544 HydrophobicContact CD2-CD1 4.18Å; F331-L544 HydrophobicContact CE1-CG 4.06Å; F331-L544 HydrophobicContact CZ-CD1 4.32Å; F331-L544 HydrophobicContact CZ-CG 3.9Å; L480-L544 HydrophobicContact CB-CD2 4.14Å; L480-L544 HydrophobicContact CD2-CD2 3.94Å; L483-L544 HydrophobicContact CB-CD2 4.07Å; L487-L544 HydrophobicContact CB-CD1 4.37Å; L487-L544 HydrophobicContact CD2-CD1 3.71Å; Q540-L544 WeakPolarHBondContact O-CB 3.24Å; Q540-L544 PolarHBondContact O-N 3.06Å; E541-L544 PolarHBondContact O-N 2.88Å; L544-L547 PolarHBondContact O-N 2.76Å; L544-I548 VanDerWaalsContact O-CG1 3.28Å; L544-I548 WeakPolarHBondContact O-CG1 3.45Å; L544-I548 PolarHBondContact O-N 3.14Å
545	I	85.9	Confident	81.3	Confident	57 Å²	57	39 Å²	39	29%	0.292	20%	0.204	S	C	.	.	H	α-helix	trans	-62.2	-49.6	174.4	-70.7	163.5	0	0	0	110.8	K484 E541 R542 N543 L547 I548 D549	K484-I545 HydrophobicContact CD-CG1 4.38Å; E541-I545 HydrophobicContact CG-CD1 4.03Å; E541-I545 VanDerWaalsContact O-CG1 3.3Å; E541-I545 WeakPolarHBondContact O-CG1 3.39Å; E541-I545 PolarHBondContact O-N 3.2Å; R542-I545 PolarHBondContact O-N 3.32Å; N543-I545 VanDerWaalsContact C-N 3.32Å; N543-I545 PolarHBondContact O-N 3.48Å; I545-L547 VanDerWaalsContact C-N 3.3Å; I545-L547 PolarHBondContact O-N 3.44Å; I545-I548 PolarHBondContact O-N 3.38Å; I545-I548 VanDerWaalsContact O-N 3.14Å; I545-D549 PolarHBondContact O-N 3.38Å
546	K	85.6	Confident	81.7	Confident	35 Å²	35	40 Å²	40	15%	0.152	21%	0.206	C	C	.	.	H	α-helix	trans	-57	-42.1	176.4	-69.8	173.2	-171.7	167.3	0	112.1	R542 N543 D549 L550 K597 L598 E599	R542-K546 WeakPolarHBondContact O-CG 3.39Å; R542-K546 PolarHBondContact O-N 3.13Å; N543-K546 PolarHBondContact O-N 2.9Å; K546-D549 PolarHBondContact O-N 2.83Å; K546-L550 WeakPolarHBondContact O-CB 3.34Å; K546-L550 WeakPolarHBondContact O-CD1 3.5Å; K546-L550 WeakPolarHBondContact O-CG 3.38Å; K546-L550 PolarHBondContact O-N 3.08Å; K546-K597 WeakPolarHBondContact CD-O 3.37Å; K546-K597 PolarHBondContact NZ-O 2.92Å; K546-L598 HydrophobicContact CB-CD2 4.15Å; K546-L598 HydrophobicContact CD-CD2 4.23Å; K546-E599 IonicContact NZ-OE1 2.75Å; K546-E599 PolarHBondContact NZ-OE1 2.81Å
547	L	85.8	Confident	81.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.3	-39.1	177.6	-67	-174.5	0	0	0	112.2	F331 L338 W393 L480 N543 L544 I545 L550 N551 L598	F331-L547 HydrophobicContact CD1-CD1 3.92Å; F331-L547 HydrophobicContact CE1-CD1 4.01Å; L338-L547 HydrophobicContact CD1-CD2 4.22Å; W393-L547 HydrophobicContact CH2-CD2 4.3Å; W393-L547 HydrophobicContact CZ2-CD2 3.57Å; L480-L547 HydrophobicContact CD1-CB 3.66Å; L480-L547 HydrophobicContact CD2-CB 4.34Å; L480-L547 HydrophobicContact CD2-CD1 4.23Å; N543-L547 WeakPolarHBondContact O-CG 3.38Å; N543-L547 PolarHBondContact O-N 2.98Å; L544-L547 PolarHBondContact O-N 2.76Å; I545-L547 VanDerWaalsContact C-N 3.3Å; I545-L547 PolarHBondContact O-N 3.44Å; L547-L550 HydrophobicContact CD2-CD1 4.49Å; L547-L550 PolarHBondContact O-N 3.42Å; L547-N551 VanDerWaalsContact O-CB 3.26Å; L547-N551 WeakPolarHBondContact O-CB 3.17Å; L547-N551 PolarHBondContact O-N 3Å; L547-L598 HydrophobicContact CD2-CD1 4.15Å; L547-L598 HydrophobicContact CD2-CD2 3.98Å; L547-L598 HydrophobicContact CG-CD2 4.21Å
548	I	84.9	Confident	82.1	Confident	8 Å²	8	41.5 Å²	41.5	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-63.8	-47	174.3	-70.9	164.6	0	0	0	111	L480 Y481 K484 L544 I545 L550 N551 D552	L480-I548 HydrophobicContact CB-CD1 4.21Å; L480-I548 HydrophobicContact CB-CG1 3.61Å; L480-I548 HydrophobicContact CD1-CG1 4.13Å; Y481-I548 HydrophobicContact CD1-CD1 4.43Å; Y481-I548 HydrophobicContact CD2-CG1 4.45Å; Y481-I548 HydrophobicContact CD2-CG2 4.47Å; Y481-I548 HydrophobicContact CE1-CG2 4.13Å; Y481-I548 HydrophobicContact CE2-CG1 4.41Å; Y481-I548 HydrophobicContact CE2-CG2 3.67Å; Y481-I548 HydrophobicContact CG-CD1 4.43Å; Y481-I548 VanDerWaalsContact CZ-CG2 3.47Å; Y481-I548 WeakPolarHBondContact OH-CG2 3.16Å; K484-I548 HydrophobicContact CB-CD1 4.31Å; K484-I548 HydrophobicContact CD-CD1 3.89Å; L544-I548 VanDerWaalsContact O-CG1 3.28Å; L544-I548 WeakPolarHBondContact O-CG1 3.45Å; L544-I548 PolarHBondContact O-N 3.14Å; I545-I548 PolarHBondContact O-N 3.38Å; I545-I548 VanDerWaalsContact O-N 3.14Å; I548-L550 VanDerWaalsContact C-N 3.27Å; I548-L550 PolarHBondContact O-N 3.47Å; I548-N551 WeakPolarHBondContact O-CB 3.28Å; I548-N551 PolarHBondContact O-N 3.42Å; I548-N551 VanDerWaalsContact O-N 3.1Å; I548-D552 PolarHBondContact O-N 3.48Å
549	D	82.5	Confident	82.4	Confident	91 Å²	91	39.1 Å²	39.1	49%	0.487	20%	0.202	S	C	.	.	H	α-helix	trans	-61.7	-36.4	177.5	-67	-22.9	0	0	0	111.7	I545 K546 G554	I545-D549 PolarHBondContact O-N 3.38Å; K546-D549 PolarHBondContact O-N 2.83Å; D549-G554 WeakPolarHBondContact O-CA 3.36Å; D549-G554 PolarHBondContact O-N 2.88Å; D549-G554 VanDerWaalsContact O-N 3.15Å
550	L	83.1	Confident	82.4	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	22%	0.217	C	C	.	.	I	π-helix	trans	-70.4	-32.4	174.4	-74.3	168.2	0	0	0	113.2	L338 W393 K546 L547 I548 G554 I555 M596	L338-L550 HydrophobicContact CD1-CD1 4.31Å; L338-L550 HydrophobicContact CD2-CD1 4.19Å; W393-L550 HydrophobicContact CH2-CB 3.89Å; W393-L550 HydrophobicContact CZ3-CB 4.34Å; K546-L550 WeakPolarHBondContact O-CB 3.34Å; K546-L550 WeakPolarHBondContact O-CD1 3.5Å; K546-L550 WeakPolarHBondContact O-CG 3.38Å; K546-L550 PolarHBondContact O-N 3.08Å; L547-L550 HydrophobicContact CD2-CD1 4.49Å; L547-L550 PolarHBondContact O-N 3.42Å; I548-L550 VanDerWaalsContact C-N 3.27Å; I548-L550 PolarHBondContact O-N 3.47Å; L550-G554 WeakPolarHBondContact O-CA 3.49Å; L550-G554 PolarHBondContact O-N 2.98Å; L550-I555 HydrophobicContact CB-CD1 4.27Å; L550-I555 HydrophobicContact CB-CG1 4.38Å; L550-I555 HydrophobicContact CD2-CG1 4.32Å; L550-I555 PolarHBondContact O-N 3.24Å; L550-M596 HydrophobicContact CD2-CG 4.06Å
551	N	83.1	Confident	82.5	Confident	54 Å²	54	44.9 Å²	44.9	29%	0.289	23%	0.228	S	C	.	.	I	π-helix	trans	-72.5	-59.6	-179.2	-176.6	63.3	0	0	0	112.7	I389 W393 L480 L547 I548 L553	I389-N551 WeakPolarHBondContact CG2-OD1 3.4Å; W393-N551 HydrophobicContact CE3-CB 3.81Å; W393-N551 HydrophobicContact CZ3-CB 3.71Å; L480-N551 HydrophobicContact CD1-CB 4.38Å; L547-N551 VanDerWaalsContact O-CB 3.26Å; L547-N551 WeakPolarHBondContact O-CB 3.17Å; L547-N551 PolarHBondContact O-N 3Å; I548-N551 WeakPolarHBondContact O-CB 3.28Å; I548-N551 PolarHBondContact O-N 3.42Å; I548-N551 VanDerWaalsContact O-N 3.1Å; N551-L553 VanDerWaalsContact C-N 3.34Å; N551-L553 PolarHBondContact O-N 3.23Å
552	D	78.5	Confident	82.4	Confident	77 Å²	77	41.3 Å²	41.3	41%	0.412	21%	0.211	S	C	.	.	I	π-helix	trans	-69.2	-34.3	-162.9	-66.9	-5.1	0	0	0	112.5	Y481 I548	Y481-D552 WeakPolarHBondContact CE2-OD2 3.41Å; Y481-D552 PolarHBondContact OH-OD2 2.68Å; I548-D552 PolarHBondContact O-N 3.48Å
553	L	67.5	Low	82.4	Confident	120 Å²	120	39.5 Å²	39.5	63%	0.628	21%	0.209	S	C	*	.	I	π-helix	trans	-142.9	-20.5	178.5	-84.5	131.4	0	0	0	113.9	N551 S556 T557	N551-L553 VanDerWaalsContact C-N 3.34Å; N551-L553 PolarHBondContact O-N 3.23Å; L553-S556 PolarHBondContact O-OG 3Å; L553-T557 WeakPolarHBondContact O-CB 3.44Å; L553-T557 PolarHBondContact O-N 2.99Å; L553-T557 PolarHBondContact O-OG1 3.1Å
554	G	74.5	Confident	82.2	Confident	5 Å²	5	45.3 Å²	45.3	5%	0.052	23%	0.234	C	C	.	.	I	π-helix	trans	-62.8	-62.6	-164.8	0	0	0	0	0	114.5	D549 L550 S556 T557 F558 W592	D549-G554 WeakPolarHBondContact O-CA 3.36Å; D549-G554 PolarHBondContact O-N 2.88Å; D549-G554 VanDerWaalsContact O-N 3.15Å; L550-G554 WeakPolarHBondContact O-CA 3.49Å; L550-G554 PolarHBondContact O-N 2.98Å; G554-S556 PolarHBondContact O-N 3.16Å; G554-T557 PolarHBondContact O-N 2.86Å; G554-F558 WeakPolarHBondContact O-CB 3.47Å; G554-F558 PolarHBondContact O-N 3.39Å; G554-W592 WeakPolarHBondContact O-CH2 3.21Å; G554-W592 WeakPolarHBondContact O-CZ3 3.32Å
555	I	80.1	Confident	81.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-69.2	-34.3	-171.5	-67.2	162.9	0	0	0	111.9	L385 L386 I389 W393 L550 F558 L559	L385-I555 HydrophobicContact CD2-CD1 3.68Å; L385-I555 HydrophobicContact CD2-CG1 4.39Å; L385-I555 HydrophobicContact CG-CD1 3.95Å; L386-I555 HydrophobicContact CB-CG2 4.08Å; L386-I555 HydrophobicContact CD1-CB 4.13Å; L386-I555 HydrophobicContact CD1-CG2 3.73Å; I389-I555 HydrophobicContact CD1-CB 4.38Å; I389-I555 HydrophobicContact CD1-CD1 3.79Å; I389-I555 HydrophobicContact CG1-CD1 4.33Å; W393-I555 HydrophobicContact CH2-CD1 3.53Å; W393-I555 HydrophobicContact CZ2-CD1 4.49Å; W393-I555 HydrophobicContact CZ3-CD1 4.09Å; L550-I555 HydrophobicContact CB-CD1 4.27Å; L550-I555 HydrophobicContact CB-CG1 4.38Å; L550-I555 HydrophobicContact CD2-CG1 4.32Å; L550-I555 PolarHBondContact O-N 3.24Å; I555-F558 PolarHBondContact O-N 3.45Å; I555-L559 HydrophobicContact CG2-CD1 4.32Å; I555-L559 WeakPolarHBondContact O-CB 3.44Å; I555-L559 WeakPolarHBondContact O-CG 3.41Å; I555-L559 PolarHBondContact O-N 2.99Å
556	S	79.9	Confident	81.4	Confident	55 Å²	55	45.5 Å²	45.5	39%	0.385	23%	0.233	S	C	.	.	H	α-helix	trans	-67.8	-41.8	174.1	53.9	0	0	0	0	112.5	L553 G554 L559 H560	L553-S556 PolarHBondContact O-OG 3Å; G554-S556 PolarHBondContact O-N 3.16Å; S556-L559 PolarHBondContact O-N 3.12Å; S556-H560 PolarHBondContact O-N 3.48Å; S556-H560 VanDerWaalsContact O-N 3.12Å
557	T	82.4	Confident	81.1	Confident	65 Å²	65	48 Å²	48	40%	0.399	25%	0.248	S	C	.	.	H	α-helix	trans	-66.7	-37.6	173.6	-58.2	0	0	0	0	111.6	L553 G554 M561 W592	L553-T557 WeakPolarHBondContact O-CB 3.44Å; L553-T557 PolarHBondContact O-N 2.99Å; L553-T557 PolarHBondContact O-OG1 3.1Å; G554-T557 PolarHBondContact O-N 2.86Å; T557-M561 WeakPolarHBondContact O-CB 3.49Å; T557-M561 PolarHBondContact O-N 3.2Å; T557-W592 HydrophobicContact CG2-CH2 4.39Å; T557-W592 HydrophobicContact CG2-CZ2 4.18Å
558	F	83.6	Confident	80.4	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-48.9	175.1	178.3	-95.4	0	0	0	111.4	L341 I345 I378 A382 G554 I555 H560 M561 I562 L589 W592 M596	L341-F558 HydrophobicContact CD1-CE1 4.23Å; L341-F558 HydrophobicContact CD2-CE1 4.3Å; I345-F558 HydrophobicContact CD1-CE2 4.07Å; I345-F558 HydrophobicContact CD1-CZ 3.71Å; I345-F558 HydrophobicContact CG1-CZ 4.1Å; I378-F558 HydrophobicContact CG2-CE1 3.86Å; I378-F558 HydrophobicContact CG2-CZ 3.96Å; A382-F558 HydrophobicContact CB-CD1 4.09Å; A382-F558 HydrophobicContact CB-CE1 4.11Å; G554-F558 WeakPolarHBondContact O-CB 3.47Å; G554-F558 PolarHBondContact O-N 3.39Å; I555-F558 PolarHBondContact O-N 3.45Å; F558-H560 PolarHBondContact O-N 3.12Å; F558-M561 HydrophobicContact CD2-CE 4.3Å; F558-M561 WeakPolarHBondContact O-CB 3.4Å; F558-M561 PolarHBondContact O-N 2.74Å; F558-I562 HydrophobicContact CD1-CG1 4.27Å; F558-I562 HydrophobicContact CE1-CG1 3.82Å; F558-I562 HydrophobicContact CE2-CD1 4.13Å; F558-I562 HydrophobicContact CE2-CG1 4.14Å; F558-I562 HydrophobicContact CZ-CD1 3.94Å; F558-I562 HydrophobicContact CZ-CG1 3.74Å; F558-I562 WeakPolarHBondContact O-CG1 3.35Å; F558-I562 PolarHBondContact O-N 3.11Å; F558-L589 HydrophobicContact CE2-CD2 4.2Å; F558-W592 HydrophobicContact CB-CD2 4.49Å; F558-W592 HydrophobicContact CB-CE3 4.13Å; F558-W592 HydrophobicContact CB-CH2 4.32Å; F558-W592 HydrophobicContact CB-CZ3 4.04Å; F558-W592 HydrophobicContact CD2-CB 4.16Å; F558-W592 AromaticContact CD2-CD2 3.99Å; F558-W592 HydrophobicContact CD2-CD2 3.99Å; F558-W592 HydrophobicContact CD2-CE3 4.16Å; F558-W592 AromaticContact CD2-CG 3.99Å; F558-W592 HydrophobicContact CD2-CG 3.99Å; F558-W592 HydrophobicContact CE2-CB 4.29Å; F558-M596 HydrophobicContact CB-CE 4.4Å; F558-M596 HydrophobicContact CD1-CE 3.97Å; F558-M596 HydrophobicContact CD2-CE 3.74Å; F558-M596 HydrophobicContact CE1-CE 4.17Å; F558-M596 HydrophobicContact CE2-CE 3.95Å; F558-M596 HydrophobicContact CG-CE 3.75Å; F558-M596 HydrophobicContact CZ-CE 4.16Å
559	L	84.8	Confident	79.7	Confident	9 Å²	9	53.7 Å²	53.7	5%	0.047	28%	0.278	C	S	.	.	H	α-helix	trans	-51.9	-56.1	174.6	-84.6	163.3	0	0	0	111.4	L379 A382 Q383 L386 I555 S556 M561 I562 E563	L379-L559 HydrophobicContact CD2-CD2 3.95Å; A382-L559 HydrophobicContact CB-CD2 3.57Å; A382-L559 HydrophobicContact CB-CG 3.86Å; Q383-L559 HydrophobicContact CB-CD2 4.36Å; L386-L559 HydrophobicContact CB-CD1 4.1Å; L386-L559 HydrophobicContact CD1-CD1 4.33Å; L386-L559 HydrophobicContact CD2-CD1 3.91Å; L386-L559 HydrophobicContact CG-CD1 4.34Å; I555-L559 HydrophobicContact CG2-CD1 4.32Å; I555-L559 WeakPolarHBondContact O-CB 3.44Å; I555-L559 WeakPolarHBondContact O-CG 3.41Å; I555-L559 PolarHBondContact O-N 2.99Å; S556-L559 PolarHBondContact O-N 3.12Å; L559-M561 PolarHBondContact O-N 3.08Å; L559-I562 PolarHBondContact O-N 3.46Å; L559-E563 WeakPolarHBondContact O-CG 3.48Å; L559-E563 PolarHBondContact O-N 3.36Å
560	H	82.7	Confident	79	Confident	115 Å²	115	53.1 Å²	53.1	53%	0.532	28%	0.275	S	S	.	.	H	α-helix	trans	-59.7	-32.7	-179.2	-175.7	55.7	0	0	0	113.3	S556 F558 E563 K564	S556-H560 PolarHBondContact O-N 3.48Å; S556-H560 VanDerWaalsContact O-N 3.12Å; F558-H560 PolarHBondContact O-N 3.12Å; H560-E563 IonicContact ND1-OE2 2.71Å; H560-K564 WeakPolarHBondContact O-CB 3.29Å; H560-K564 PolarHBondContact O-N 3Å; H560-K564 VanDerWaalsContact O-N 3.09Å
561	M	84.1	Confident	77.9	Confident	47 Å²	47	58.1 Å²	58.1	23%	0.232	30%	0.302	C	S	.	.	H	α-helix	trans	-66.4	-42.6	174.2	-164	-147.8	-40.5	0	0	112.1	T557 F558 L559 L565 T588 W592	T557-M561 WeakPolarHBondContact O-CB 3.49Å; T557-M561 PolarHBondContact O-N 3.2Å; F558-M561 HydrophobicContact CD2-CE 4.3Å; F558-M561 WeakPolarHBondContact O-CB 3.4Å; F558-M561 PolarHBondContact O-N 2.74Å; L559-M561 PolarHBondContact O-N 3.08Å; M561-L565 WeakPolarHBondContact O-CB 3.14Å; M561-L565 PolarHBondContact O-N 3.12Å; M561-T588 HydrophobicContact CE-CG2 3.98Å; M561-T588 HydrophobicContact SD-CG2 3.85Å; M561-W592 HydrophobicContact CE-CD2 4.44Å; M561-W592 HydrophobicContact CE-CG 4.3Å; M561-W592 HydrophobicContact CE-CZ2 4.33Å
562	I	83.7	Confident	76.4	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-72.1	-35.8	179.9	-59.3	-60.7	0	0	0	111.1	L375 I378 L379 F558 L559 L565 K566 L589	L375-I562 HydrophobicContact CB-CG2 4.29Å; L375-I562 HydrophobicContact CD2-CG2 3.94Å; I378-I562 HydrophobicContact CG2-CD1 4.5Å; I378-I562 HydrophobicContact CG2-CG1 4.16Å; I378-I562 HydrophobicContact CG2-CG2 4.1Å; L379-I562 HydrophobicContact CD1-CG2 4.29Å; L379-I562 HydrophobicContact CD2-CB 3.81Å; L379-I562 HydrophobicContact CD2-CG2 3.73Å; L379-I562 HydrophobicContact CG-CB 4.3Å; L379-I562 HydrophobicContact CG-CG2 3.63Å; F558-I562 HydrophobicContact CD1-CG1 4.27Å; F558-I562 HydrophobicContact CE1-CG1 3.82Å; F558-I562 HydrophobicContact CE2-CD1 4.13Å; F558-I562 HydrophobicContact CE2-CG1 4.14Å; F558-I562 HydrophobicContact CZ-CD1 3.94Å; F558-I562 HydrophobicContact CZ-CG1 3.74Å; F558-I562 WeakPolarHBondContact O-CG1 3.35Å; F558-I562 PolarHBondContact O-N 3.11Å; L559-I562 PolarHBondContact O-N 3.46Å; I562-L565 HydrophobicContact CD1-CD1 4.03Å; I562-L565 VanDerWaalsContact O-CB 3.25Å; I562-L565 WeakPolarHBondContact O-CB 3.25Å; I562-L565 PolarHBondContact O-N 3.1Å; I562-K566 PolarHBondContact O-N 3.1Å; I562-L589 HydrophobicContact CD1-CD2 4.27Å
563	E	84.6	Confident	74.8	Confident	87 Å²	87	68.9 Å²	68.9	41%	0.407	35%	0.348	S	S	.	.	H	α-helix	trans	-57.8	-55.9	170.6	-69.5	-179.5	141.2	0	0	110.6	L379 L559 H560 L565 K566 D567	L379-E563 HydrophobicContact CD1-CG 4.39Å; L379-E563 HydrophobicContact CD2-CG 3.67Å; L559-E563 WeakPolarHBondContact O-CG 3.48Å; L559-E563 PolarHBondContact O-N 3.36Å; H560-E563 IonicContact ND1-OE2 2.71Å; E563-L565 PolarHBondContact O-N 3.41Å; E563-L565 VanDerWaalsContact O-N 3.15Å; E563-K566 WeakPolarHBondContact O-CA 3.39Å; E563-K566 WeakPolarHBondContact O-CB 3.48Å; E563-K566 PolarHBondContact O-N 3.02Å; E563-D567 PolarHBondContact O-N 2.98Å
564	K	81.2	Confident	73.7	Confident	122 Å²	122	69.7 Å²	69.7	53%	0.53	35%	0.348	S	S	.	.	H	α-helix	trans	-59.9	-29.4	178.4	-171.6	166.6	-172.5	163	0	113.2	H560 N568	H560-K564 WeakPolarHBondContact O-CB 3.29Å; H560-K564 PolarHBondContact O-N 3Å; H560-K564 VanDerWaalsContact O-N 3.09Å; K564-N568 WeakPolarHBondContact O-CB 3.36Å; K564-N568 PolarHBondContact O-N 2.98Å; K564-N568 PolarHBondContact O-OD1 3.02Å
565	L	77.2	Confident	72.3	Confident	11 Å²	11	78.7 Å²	78.7	6%	0.058	39%	0.389	C	S	.	.	H	α-helix	trans	-64.8	-45.9	172.2	-120.9	157.2	0	0	0	111.9	L375 M561 I562 E563 L569 F580 L585	L375-L565 HydrophobicContact CD1-CB 4.42Å; M561-L565 WeakPolarHBondContact O-CB 3.14Å; M561-L565 PolarHBondContact O-N 3.12Å; I562-L565 HydrophobicContact CD1-CD1 4.03Å; I562-L565 VanDerWaalsContact O-CB 3.25Å; I562-L565 WeakPolarHBondContact O-CB 3.25Å; I562-L565 PolarHBondContact O-N 3.1Å; E563-L565 PolarHBondContact O-N 3.41Å; E563-L565 VanDerWaalsContact O-N 3.15Å; L565-L569 WeakPolarHBondContact O-CD1 3.39Å; L565-L569 WeakPolarHBondContact O-CG 3.47Å; L565-F580 HydrophobicContact CD2-CE1 3.92Å; L565-F580 HydrophobicContact CD2-CZ 3.87Å; L565-F580 HydrophobicContact CG-CE1 4.2Å; L565-F580 HydrophobicContact CG-CZ 4.28Å; L565-L585 HydrophobicContact CD1-CD1 3.95Å; L565-L585 HydrophobicContact CD1-CD2 4.01Å; L565-L585 HydrophobicContact CD1-CG 4.21Å; L565-L585 HydrophobicContact CD2-CD1 3.73Å; L565-L585 HydrophobicContact CD2-CD2 3.99Å; L565-L585 HydrophobicContact CD2-CG 4.45Å; L565-L585 HydrophobicContact CG-CD1 3.87Å; L565-L585 HydrophobicContact CG-CD2 4.49Å
566	K	80.4	Confident	70.5	Confident	51 Å²	51	87.7 Å²	87.7	22%	0.222	43%	0.431	C	S	.	.	H	α-helix	trans	-68.6	-43.6	178.8	175.5	175.3	168.1	176	0	111.6	T372 L375 T376 L379 I562 E563 L569 N570	T372-K566 HydrophobicContact CG2-CG 4.37Å; L375-K566 HydrophobicContact CB-CB 4.41Å; L375-K566 HydrophobicContact CD1-CB 3.98Å; T376-K566 PolarHBondContact OG1-NZ 3.44Å; L379-K566 HydrophobicContact CD1-CD 3.83Å; I562-K566 PolarHBondContact O-N 3.1Å; E563-K566 WeakPolarHBondContact O-CA 3.39Å; E563-K566 WeakPolarHBondContact O-CB 3.48Å; E563-K566 PolarHBondContact O-N 3.02Å; K566-L569 PolarHBondContact O-N 3.22Å; K566-L569 VanDerWaalsContact O-N 3.14Å; K566-N570 PolarHBondContact O-N 3.12Å; K566-N570 PolarHBondContact O-ND2 3.3Å
567	D	78.4	Confident	68.8	Low	88 Å²	88	86.1 Å²	86.1	47%	0.471	42%	0.424	S	S	.	.	H	α-helix	trans	-62.6	-47.3	-179.2	-64.8	-21.1	0	0	0	111.7	E563 L569 N570 N571	E563-D567 PolarHBondContact O-N 2.98Å; D567-L569 PolarHBondContact O-N 3.07Å; D567-L569 VanDerWaalsContact O-N 3.1Å; D567-N570 PolarHBondContact O-N 3.18Å; D567-N571 PolarHBondContact O-N 2.97Å; D567-N571 VanDerWaalsContact O-N 3.14Å; D567-N571 PolarHBondContact O-ND2 2.99Å
568	N	72.4	Confident	67.1	Low	84 Å²	84	88.9 Å²	88.9	45%	0.449	44%	0.443	S	S	.	.	H	α-helix	trans	-59.7	-20.3	175.8	-75.1	1.9	0	0	0	114.1	K564 F580	K564-N568 WeakPolarHBondContact O-CB 3.36Å; K564-N568 PolarHBondContact O-N 2.98Å; K564-N568 PolarHBondContact O-OD1 3.02Å; N568-F580 HydrophobicContact CB-CE2 3.49Å; N568-F580 VanDerWaalsContact CB-CE2 3.49Å; N568-F580 HydrophobicContact CB-CZ 3.47Å; N568-F580 VanDerWaalsContact CB-CZ 3.47Å
569	L	69.5	Low	65.6	Low	44 Å²	44	95 Å²	95	23%	0.23	48%	0.475	C	S	.	.	H	α-helix	trans	-88.7	-22.4	176.5	-73.3	164.9	0	0	0	113.2	I371 L375 L565 K566 D567 F580	I371-L569 HydrophobicContact CG2-CD1 3.45Å; I371-L569 VanDerWaalsContact CG2-CD1 3.45Å; L375-L569 HydrophobicContact CD1-CD1 3.62Å; L565-L569 WeakPolarHBondContact O-CD1 3.39Å; L565-L569 WeakPolarHBondContact O-CG 3.47Å; K566-L569 PolarHBondContact O-N 3.22Å; K566-L569 VanDerWaalsContact O-N 3.14Å; D567-L569 PolarHBondContact O-N 3.07Å; D567-L569 VanDerWaalsContact O-N 3.1Å; L569-F580 HydrophobicContact CD2-CD2 4.43Å; L569-F580 HydrophobicContact CD2-CE2 4.23Å; L569-F580 HydrophobicContact CG-CE2 4.08Å
570	N	66.9	Low	64.4	Low	79 Å²	79	97.3 Å²	97.3	42%	0.422	49%	0.485	S	S	.	.	H	α-helix	trans	-95.4	-12.9	179.7	-57.3	-44.7	0	0	0	112.7	T372 K566 D567 E572	T372-N570 PolarHBondContact OG1-OD1 2.81Å; K566-N570 PolarHBondContact O-N 3.12Å; K566-N570 PolarHBondContact O-ND2 3.3Å; D567-N570 PolarHBondContact O-N 3.18Å; N570-E572 PolarHBondContact O-N 2.87Å
571	N	60.7	Low	63.6	Low	106 Å²	106	96 Å²	96	57%	0.567	48%	0.481	S	S	*	.			trans	-77.3	83.1	179.3	-75.3	-20.4	0	0	0	112.1	D567 Q573	D567-N571 PolarHBondContact O-N 2.97Å; D567-N571 VanDerWaalsContact O-N 3.14Å; D567-N571 PolarHBondContact O-ND2 2.99Å; N571-Q573 PolarHBondContact O-N 2.88Å
572	E	50.7	Low	62.9	Low	168 Å²	168	94.3 Å²	94.3	79%	0.785	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.9	176.3	-62.9	-175.9	147.7	0	0	113.6	R363 N570 E574	R363-E572 PolarHBondContact NH1-O 3.49Å; R363-E572 VanDerWaalsContact NH1-O 3.11Å; N570-E572 PolarHBondContact O-N 2.87Å; E572-E574 PolarHBondContact O-N 2.92Å
573	Q	45.3	Very low	62.2	Low	190 Å²	190	98.4 Å²	98.4	89%	0.888	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-6.1	-157.7	-65.6	-169.4	-19	0	0	117.7	N571	N571-Q573 PolarHBondContact O-N 2.88Å
574	E	44.3	Very low	61.8	Low	136 Å²	136	101.1 Å²	101.1	64%	0.636	51%	0.506	S	S	*	.			trans	-111.2	110.6	174.4	-69.7	-172.1	165.7	0	0	111.1	R363 E572 E576	R363-E574 PolarHBondContact NH1-O 3.18Å; R363-E574 PolarHBondContact NH2-O 3.14Å; E572-E574 PolarHBondContact O-N 2.92Å; E574-E576 VanDerWaalsContact C-N 3.26Å; E574-E576 PolarHBondContact O-N 2.67Å
575	E	45.8	Very low	61.5	Low	194 Å²	194	96.4 Å²	96.4	91%	0.907	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.9	175.2	-65.4	-173.1	131.8	0	0	112.7
576	E	41.7	Very low	61.4	Low	190 Å²	190	99.4 Å²	99.4	89%	0.888	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	10.5	179.4	-61.4	-167.2	130	0	0	114.1	E574	E574-E576 VanDerWaalsContact C-N 3.26Å; E574-E576 PolarHBondContact O-N 2.67Å
577	G	43.8	Very low	61.4	Low	22 Å²	22	104 Å²	104	23%	0.227	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-57.2	134.2	177.3	0	0	0	0	0	111.9	L579	G577-L579 PolarHBondContact O-N 3.43Å; G577-L579 VanDerWaalsContact O-N 3.16Å
578	P	47.7	Very low	61.4	Low	122 Å²	122	102.2 Å²	102.2	79%	0.792	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-65.1	118	-168.5	25	-34.5	0	0	0	111.9	F580	P578-F580 PolarHBondContact O-N 3.49Å
579	L	52.2	Low	61.8	Low	130 Å²	130	98.2 Å²	98.2	68%	0.681	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-50.2	133.3	178.8	-87.4	112.3	0	0	0	111.9	K361 G577 D581	K361-L579 HydrophobicContact CG-CD2 3.98Å; G577-L579 PolarHBondContact O-N 3.43Å; G577-L579 VanDerWaalsContact O-N 3.16Å; L579-D581 PolarHBondContact O-N 2.99Å
580	F	59.5	Low	62.3	Low	57 Å²	57	99 Å²	99	25%	0.25	49%	0.494	C	S	.	.			trans	-60.8	110.2	174	-90	-69.6	0	0	0	111	L565 N568 L569 P578 L582 L585	L565-F580 HydrophobicContact CD2-CE1 3.92Å; L565-F580 HydrophobicContact CD2-CZ 3.87Å; L565-F580 HydrophobicContact CG-CE1 4.2Å; L565-F580 HydrophobicContact CG-CZ 4.28Å; N568-F580 HydrophobicContact CB-CE2 3.49Å; N568-F580 VanDerWaalsContact CB-CE2 3.49Å; N568-F580 HydrophobicContact CB-CZ 3.47Å; N568-F580 VanDerWaalsContact CB-CZ 3.47Å; L569-F580 HydrophobicContact CD2-CD2 4.43Å; L569-F580 HydrophobicContact CD2-CE2 4.23Å; L569-F580 HydrophobicContact CG-CE2 4.08Å; P578-F580 PolarHBondContact O-N 3.49Å; F580-L582 VanDerWaalsContact C-N 3.3Å; F580-L582 PolarHBondContact O-N 3.05Å; F580-L585 HydrophobicContact CD1-CD1 3.5Å; F580-L585 HydrophobicContact CE1-CD1 3.55Å
581	D	66.5	Low	63.1	Low	87 Å²	87	102.2 Å²	102.2	47%	0.465	50%	0.504	S	S	.	.			trans	-66	92.3	164	177.3	-5.6	0	0	0	109.1	L579 N583 K584 L585	L579-D581 PolarHBondContact O-N 2.99Å; D581-N583 PolarHBondContact O-N 3.42Å; D581-N583 WeakPolarHBondContact OD1-CA 3.31Å; D581-N583 WeakPolarHBondContact OD1-CB 3.39Å; D581-N583 PolarHBondContact OD1-N 2.97Å; D581-K584 HydrophobicContact CB-CB 3.88Å; D581-K584 VanDerWaalsContact CG-CB 3.4Å; D581-K584 PolarHBondContact O-N 3.45Å; D581-K584 VanDerWaalsContact O-N 3.13Å; D581-K584 PolarHBondContact OD1-N 3.35Å; D581-K584 WeakPolarHBondContact OD2-CB 3.46Å; D581-L585 PolarHBondContact O-N 3.39Å
582	L	67.8	Low	64.1	Low	12 Å²	12	98.9 Å²	98.9	6%	0.063	48%	0.484	C	S	.	.	H	α-helix	trans	-48.5	-39	174.1	-86.7	-176.6	0	0	0	112.1	L352 E357 I360 F580 L585 R586	L352-L582 HydrophobicContact CB-CD2 4.19Å; L352-L582 HydrophobicContact CD2-CD2 3.53Å; L352-L582 HydrophobicContact CG-CD2 4.48Å; E357-L582 HydrophobicContact CB-CD1 4.27Å; E357-L582 HydrophobicContact CG-CD1 4.24Å; I360-L582 HydrophobicContact CD1-CD1 3.64Å; I360-L582 HydrophobicContact CD1-CD2 3.62Å; I360-L582 HydrophobicContact CD1-CG 3.64Å; F580-L582 VanDerWaalsContact C-N 3.3Å; F580-L582 PolarHBondContact O-N 3.05Å; L582-L585 PolarHBondContact O-N 3.09Å; L582-R586 WeakPolarHBondContact O-CB 3.43Å; L582-R586 PolarHBondContact O-N 3.43Å
583	N	69.9	Low	65.7	Low	87 Å²	87	92 Å²	92	47%	0.465	45%	0.451	S	S	.	.	H	α-helix	trans	-72.4	-39	-177.3	-71.4	-66.7	0	0	0	111.6	D581 K587	D581-N583 PolarHBondContact O-N 3.42Å; D581-N583 WeakPolarHBondContact OD1-CA 3.31Å; D581-N583 WeakPolarHBondContact OD1-CB 3.39Å; D581-N583 PolarHBondContact OD1-N 2.97Å; N583-K587 VanDerWaalsContact O-CB 3.25Å; N583-K587 WeakPolarHBondContact O-CB 3.4Å; N583-K587 WeakPolarHBondContact O-CD 3.49Å; N583-K587 WeakPolarHBondContact O-CG 3.49Å; N583-K587 PolarHBondContact O-N 3.21Å
584	K	77.1	Confident	67.5	Low	143 Å²	143	87.4 Å²	87.4	62%	0.622	43%	0.433	S	S	*	.	H	α-helix	trans	-66.4	-39.6	171.7	179.6	178.9	-178.6	-177.4	0	111.5	D581 T588	D581-K584 HydrophobicContact CB-CB 3.88Å; D581-K584 VanDerWaalsContact CG-CB 3.4Å; D581-K584 PolarHBondContact O-N 3.45Å; D581-K584 VanDerWaalsContact O-N 3.13Å; D581-K584 PolarHBondContact OD1-N 3.35Å; D581-K584 WeakPolarHBondContact OD2-CB 3.46Å; K584-T588 WeakPolarHBondContact O-CB 3.3Å; K584-T588 PolarHBondContact O-N 2.89Å; K584-T588 PolarHBondContact O-OG1 2.76Å
585	L	73.5	Confident	69.3	Low	24 Å²	24	84 Å²	84	13%	0.126	42%	0.418	C	S	.	.	H	α-helix	trans	-66.9	-47.8	179	-155.4	119	0	0	0	111.4	L352 L565 F580 D581 L582 T588 L589	L352-L585 HydrophobicContact CD1-CD2 3.82Å; L352-L585 HydrophobicContact CD2-CD2 3.69Å; L352-L585 HydrophobicContact CG-CD2 4.44Å; L565-L585 HydrophobicContact CD1-CD1 3.95Å; L565-L585 HydrophobicContact CD1-CD2 4.01Å; L565-L585 HydrophobicContact CD1-CG 4.21Å; L565-L585 HydrophobicContact CD2-CD1 3.73Å; L565-L585 HydrophobicContact CD2-CD2 3.99Å; L565-L585 HydrophobicContact CD2-CG 4.45Å; L565-L585 HydrophobicContact CG-CD1 3.87Å; L565-L585 HydrophobicContact CG-CD2 4.49Å; F580-L585 HydrophobicContact CD1-CD1 3.5Å; F580-L585 HydrophobicContact CE1-CD1 3.55Å; D581-L585 PolarHBondContact O-N 3.39Å; L582-L585 PolarHBondContact O-N 3.09Å; L585-T588 WeakPolarHBondContact O-CA 3.33Å; L585-T588 WeakPolarHBondContact O-CB 3.35Å; L585-T588 PolarHBondContact O-N 3.49Å; L585-T588 VanDerWaalsContact O-N 3.08Å; L585-L589 HydrophobicContact CD2-CD1 4.05Å; L585-L589 PolarHBondContact O-N 2.96Å
586	R	75.6	Confident	71	Confident	74 Å²	74	74.8 Å²	74.8	28%	0.279	38%	0.376	S	S	.	.	H	α-helix	trans	-59.5	-49	175.1	-161.4	175.8	-153.7	-173.2	7.7	111.6	L582 T588 L589 T590	L582-R586 WeakPolarHBondContact O-CB 3.43Å; L582-R586 PolarHBondContact O-N 3.43Å; R586-T588 PolarHBondContact O-N 3.47Å; R586-L589 PolarHBondContact O-N 2.81Å; R586-T590 PolarHBondContact O-N 2.84Å; R586-T590 PolarHBondContact O-OG1 3.33Å
587	K	80.1	Confident	73.1	Confident	148 Å²	148	70.6 Å²	70.6	64%	0.643	36%	0.355	S	S	*	.	H	α-helix	trans	-57.7	-31.7	172.9	-77	169.9	-177.6	173.9	0	113.4	N583	N583-K587 VanDerWaalsContact O-CB 3.25Å; N583-K587 WeakPolarHBondContact O-CB 3.4Å; N583-K587 WeakPolarHBondContact O-CD 3.49Å; N583-K587 WeakPolarHBondContact O-CG 3.49Å; N583-K587 PolarHBondContact O-N 3.21Å
588	T	78.3	Confident	75	Confident	49 Å²	49	70.2 Å²	70.2	30%	0.301	35%	0.347	S	S	.	.	H	α-helix	trans	-72.5	-51.3	175.8	-55.2	0	0	0	0	109.7	M561 K584 L585 R586 T590 K591 W592	M561-T588 HydrophobicContact CE-CG2 3.98Å; M561-T588 HydrophobicContact SD-CG2 3.85Å; K584-T588 WeakPolarHBondContact O-CB 3.3Å; K584-T588 PolarHBondContact O-N 2.89Å; K584-T588 PolarHBondContact O-OG1 2.76Å; L585-T588 WeakPolarHBondContact O-CA 3.33Å; L585-T588 WeakPolarHBondContact O-CB 3.35Å; L585-T588 PolarHBondContact O-N 3.49Å; L585-T588 VanDerWaalsContact O-N 3.08Å; R586-T588 PolarHBondContact O-N 3.47Å; T588-T590 VanDerWaalsContact C-N 3.32Å; T588-T590 PolarHBondContact O-N 2.94Å; T588-K591 WeakPolarHBondContact O-CB 3.34Å; T588-K591 PolarHBondContact O-N 2.94Å; T588-K591 VanDerWaalsContact O-N 3.12Å; T588-W592 VanDerWaalsContact O-CD1 3.23Å; T588-W592 PolarHBondContact O-N 2.6Å
589	L	80.5	Confident	76.5	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-58.1	-39.3	176.5	-74.9	168.7	0	0	0	112.8	I345 L348 L352 F558 I562 L585 R586 K591 W592 K593	I345-L589 HydrophobicContact CG2-CD2 4.28Å; L348-L589 HydrophobicContact CD2-CD1 4.08Å; L352-L589 HydrophobicContact CD1-CD1 3.34Å; F558-L589 HydrophobicContact CE2-CD2 4.2Å; I562-L589 HydrophobicContact CD1-CD2 4.27Å; L585-L589 HydrophobicContact CD2-CD1 4.05Å; L585-L589 PolarHBondContact O-N 2.96Å; R586-L589 PolarHBondContact O-N 2.81Å; L589-K591 VanDerWaalsContact C-N 3.34Å; L589-K591 PolarHBondContact O-N 2.77Å; L589-W592 PolarHBondContact O-N 2.78Å; L589-W592 VanDerWaalsContact O-N 3.08Å; L589-K593 WeakPolarHBondContact O-CG 3.48Å; L589-K593 PolarHBondContact O-N 3.43Å
590	T	81	Confident	77.5	Confident	59 Å²	59	66.1 Å²	66.1	36%	0.362	32%	0.317	S	S	.	.	H	α-helix	trans	-55.9	-46.7	174.7	-48.6	0	0	0	0	111.6	R586 T588 W592 K593 D594	R586-T590 PolarHBondContact O-N 2.84Å; R586-T590 PolarHBondContact O-OG1 3.33Å; T588-T590 VanDerWaalsContact C-N 3.32Å; T588-T590 PolarHBondContact O-N 2.94Å; T590-W592 VanDerWaalsContact C-N 3.28Å; T590-W592 PolarHBondContact O-N 3.35Å; T590-K593 WeakPolarHBondContact O-CB 3.28Å; T590-K593 PolarHBondContact O-N 3.24Å; T590-K593 VanDerWaalsContact O-N 3.14Å; T590-D594 VanDerWaalsContact O-CG 3.28Å; T590-D594 PolarHBondContact O-N 3.1Å
591	K	82.8	Confident	77.7	Confident	147 Å²	147	63.8 Å²	63.8	64%	0.639	31%	0.308	S	S	*	.	H	α-helix	trans	-60.1	-36.6	176.3	-69.5	-178.9	175.2	-168.4	0	112.9	T588 L589 D594 L595	T588-K591 WeakPolarHBondContact O-CB 3.34Å; T588-K591 PolarHBondContact O-N 2.94Å; T588-K591 VanDerWaalsContact O-N 3.12Å; L589-K591 VanDerWaalsContact C-N 3.34Å; L589-K591 PolarHBondContact O-N 2.77Å; K591-D594 PolarHBondContact O-N 3.37Å; K591-L595 WeakPolarHBondContact O-CG 3.45Å; K591-L595 PolarHBondContact O-N 2.87Å
592	W	81.8	Confident	77	Confident	37 Å²	37	62.5 Å²	62.5	14%	0.14	30%	0.301	C	S	.	.	H	α-helix	trans	-72.5	-36.3	176	-73.6	97.2	0	0	0	112.5	G554 T557 F558 M561 T588 L589 T590 D594 L595 M596	G554-W592 WeakPolarHBondContact O-CH2 3.21Å; G554-W592 WeakPolarHBondContact O-CZ3 3.32Å; T557-W592 HydrophobicContact CG2-CH2 4.39Å; T557-W592 HydrophobicContact CG2-CZ2 4.18Å; F558-W592 HydrophobicContact CB-CD2 4.49Å; F558-W592 HydrophobicContact CB-CE3 4.13Å; F558-W592 HydrophobicContact CB-CH2 4.32Å; F558-W592 HydrophobicContact CB-CZ3 4.04Å; F558-W592 HydrophobicContact CD2-CB 4.16Å; F558-W592 AromaticContact CD2-CD2 3.99Å; F558-W592 HydrophobicContact CD2-CD2 3.99Å; F558-W592 HydrophobicContact CD2-CE3 4.16Å; F558-W592 AromaticContact CD2-CG 3.99Å; F558-W592 HydrophobicContact CD2-CG 3.99Å; F558-W592 HydrophobicContact CE2-CB 4.29Å; M561-W592 HydrophobicContact CE-CD2 4.44Å; M561-W592 HydrophobicContact CE-CG 4.3Å; M561-W592 HydrophobicContact CE-CZ2 4.33Å; T588-W592 VanDerWaalsContact O-CD1 3.23Å; T588-W592 PolarHBondContact O-N 2.6Å; L589-W592 PolarHBondContact O-N 2.78Å; L589-W592 VanDerWaalsContact O-N 3.08Å; T590-W592 VanDerWaalsContact C-N 3.28Å; T590-W592 PolarHBondContact O-N 3.35Å; W592-D594 VanDerWaalsContact C-N 3.29Å; W592-D594 PolarHBondContact O-N 3.05Å; W592-L595 HydrophobicContact CD2-CD1 4.42Å; W592-L595 HydrophobicContact CE3-CD1 4.15Å; W592-L595 HydrophobicContact CZ3-CD1 4.43Å; W592-L595 PolarHBondContact O-N 3.16Å; W592-M596 HydrophobicContact CE3-CE 4.27Å; W592-M596 WeakPolarHBondContact O-CB 3.46Å; W592-M596 VanDerWaalsContact O-CG 3.23Å; W592-M596 WeakPolarHBondContact O-CG 3.36Å; W592-M596 PolarHBondContact O-N 3.02Å
593	K	84.4	Confident	75.9	Confident	22 Å²	22	63.9 Å²	63.9	10%	0.096	31%	0.311	C	S	.	.	H	α-helix	trans	-60.6	-40.1	170.2	-66.5	-177.3	73.4	-176.2	0	111.7	L342 I345 E346 E349 L589 T590 M596 K597	L342-K593 HydrophobicContact CD2-CB 3.81Å; L342-K593 HydrophobicContact CD2-CG 3.84Å; I345-K593 HydrophobicContact CG2-CD 3.93Å; I345-K593 HydrophobicContact CG2-CG 3.86Å; E346-K593 WeakPolarHBondContact OE1-CE 3.46Å; E346-K593 IonicContact OE1-NZ 2.62Å; E346-K593 PolarHBondContact OE1-NZ 3.37Å; E349-K593 WeakPolarHBondContact OE2-CD 3.39Å; E349-K593 IonicContact OE2-NZ 3.93Å; E349-K593 PolarHBondContact OE2-NZ 3Å; L589-K593 WeakPolarHBondContact O-CG 3.48Å; L589-K593 PolarHBondContact O-N 3.43Å; T590-K593 WeakPolarHBondContact O-CB 3.28Å; T590-K593 PolarHBondContact O-N 3.24Å; T590-K593 VanDerWaalsContact O-N 3.14Å; K593-M596 PolarHBondContact O-N 3.15Å; K593-K597 WeakPolarHBondContact O-CB 3.42Å; K593-K597 WeakPolarHBondContact O-CG 3.46Å; K593-K597 PolarHBondContact O-N 2.91Å; K593-K597 VanDerWaalsContact O-N 3.13Å
594	D	83.1	Confident	74.3	Confident	94 Å²	94	64.3 Å²	64.3	50%	0.503	31%	0.312	S	S	.	.	H	α-helix	trans	-70.6	-35.1	179.2	-63.5	-27.6	0	0	0	112.4	T590 K591 W592	T590-D594 VanDerWaalsContact O-CG 3.28Å; T590-D594 PolarHBondContact O-N 3.1Å; K591-D594 PolarHBondContact O-N 3.37Å; W592-D594 VanDerWaalsContact C-N 3.29Å; W592-D594 PolarHBondContact O-N 3.05Å
595	L	81.5	Confident	72.5	Confident	64 Å²	64	64.4 Å²	64.4	34%	0.335	32%	0.315	S	S	.	.	H	α-helix	trans	-68.2	-41.3	171.7	-75.4	166.6	0	0	0	112.7	K591 W592 K597	K591-L595 WeakPolarHBondContact O-CG 3.45Å; K591-L595 PolarHBondContact O-N 2.87Å; W592-L595 HydrophobicContact CD2-CD1 4.42Å; W592-L595 HydrophobicContact CE3-CD1 4.15Å; W592-L595 HydrophobicContact CZ3-CD1 4.43Å; W592-L595 PolarHBondContact O-N 3.16Å; L595-K597 VanDerWaalsContact C-N 3.28Å; L595-K597 PolarHBondContact O-N 3.27Å
596	M	82.7	Confident	70.5	Confident	1 Å²	1	66 Å²	66	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-74.2	-14.1	180	-69.5	172.3	-178.7	0	0	113.6	L338 L341 L342 I345 L550 F558 W592 K593 L598	L338-M596 HydrophobicContact CD2-CB 4.19Å; L338-M596 HydrophobicContact CD2-CG 4.11Å; L341-M596 HydrophobicContact CD2-CE 3.75Å; L341-M596 HydrophobicContact CD2-SD 3.86Å; L341-M596 HydrophobicContact CG-SD 4.3Å; L342-M596 HydrophobicContact CD1-CB 4.34Å; L342-M596 HydrophobicContact CD2-CB 4.04Å; L342-M596 HydrophobicContact CG-CB 4.2Å; I345-M596 HydrophobicContact CD1-SD 3.89Å; L550-M596 HydrophobicContact CD2-CG 4.06Å; F558-M596 HydrophobicContact CB-CE 4.4Å; F558-M596 HydrophobicContact CD1-CE 3.97Å; F558-M596 HydrophobicContact CD2-CE 3.74Å; F558-M596 HydrophobicContact CE1-CE 4.17Å; F558-M596 HydrophobicContact CE2-CE 3.95Å; F558-M596 HydrophobicContact CG-CE 3.75Å; F558-M596 HydrophobicContact CZ-CE 4.16Å; W592-M596 HydrophobicContact CE3-CE 4.27Å; W592-M596 WeakPolarHBondContact O-CB 3.46Å; W592-M596 VanDerWaalsContact O-CG 3.23Å; W592-M596 WeakPolarHBondContact O-CG 3.36Å; W592-M596 PolarHBondContact O-N 3.02Å; K593-M596 PolarHBondContact O-N 3.15Å; M596-L598 PolarHBondContact O-N 3.07Å
597	K	85.2	Confident	68.3	Low	103 Å²	103	66.9 Å²	66.9	45%	0.448	34%	0.339	S	S	.	.			trans	-82	102.6	178	-87.4	-179.9	174.4	-176.7	0	112.4	L342 K546 K593 L595	L342-K597 HydrophobicContact CD1-CG 3.96Å; K546-K597 WeakPolarHBondContact CD-O 3.37Å; K546-K597 PolarHBondContact NZ-O 2.92Å; K593-K597 WeakPolarHBondContact O-CB 3.42Å; K593-K597 WeakPolarHBondContact O-CG 3.46Å; K593-K597 PolarHBondContact O-N 2.91Å; K593-K597 VanDerWaalsContact O-N 3.13Å; L595-K597 VanDerWaalsContact C-N 3.28Å; L595-K597 PolarHBondContact O-N 3.27Å
598	L	83.5	Confident	66	Low	14 Å²	14	63.7 Å²	63.7	7%	0.073	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-71.5	137.6	165.4	-57.9	-178	0	0	0	110.8	K335 L338 N543 K546 L547 M596	K335-L598 HydrophobicContact CB-CD1 4.22Å; L338-L598 HydrophobicContact CD1-CD1 3.99Å; L338-L598 HydrophobicContact CD1-CG 4.05Å; N543-L598 HydrophobicContact CB-CD2 4.18Å; N543-L598 WeakPolarHBondContact OD1-CA 3.43Å; K546-L598 HydrophobicContact CB-CD2 4.15Å; K546-L598 HydrophobicContact CD-CD2 4.23Å; L547-L598 HydrophobicContact CD2-CD1 4.15Å; L547-L598 HydrophobicContact CD2-CD2 3.98Å; L547-L598 HydrophobicContact CG-CD2 4.21Å; M596-L598 PolarHBondContact O-N 3.07Å
599	E	80.4	Confident	63.7	Low	68 Å²	68	67.5 Å²	67.5	32%	0.318	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-74.1	139.2	172	-82.8	149.1	-108.4	0	0	109.1	I539 R542 N543 K546	I539-E599 HydrophobicContact CG2-CB 3.81Å; R542-E599 WeakPolarHBondContact CD-OE2 3.2Å; R542-E599 IonicContact CZ-OE2 2.61Å; R542-E599 IonicContact NH1-OE2 2.64Å; R542-E599 PolarHBondContact NH1-OE2 2.81Å; N543-E599 PolarHBondContact ND2-O 3.5Å; N543-E599 PolarHBondContact OD1-N 3.24Å; K546-E599 IonicContact NZ-OE1 2.75Å; K546-E599 PolarHBondContact NZ-OE1 2.81Å
600	D	73.3	Confident	61.3	Low	98 Å²	98	72.5 Å²	72.5	52%	0.524	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-71	133.5	175.4	-71.3	-66	0	0	0	110.6	K335 D602	K335-D600 IonicContact NZ-OD1 2.66Å; K335-D600 PolarHBondContact NZ-OD1 3.13Å; K335-D600 IonicContact NZ-OD2 2.62Å; K335-D600 PolarHBondContact NZ-OD2 3.06Å; D600-D602 PolarHBondContact O-N 2.86Å
601	C	62.2	Low	58.8	Low	8 Å²	8	75.2 Å²	75.2	5%	0.054	39%	0.389	C	S	.	.			trans	-81.1	13.3	-178.3	-64.5	0	0	0	0	113.9	E328 P603	E328-C601 HydrophobicContact CG-CB 4.44Å; C601-P603 WeakPolarHBondContact O-CD 3.14Å
602	D	52.6	Low	56.3	Low	59 Å²	59	77 Å²	77	32%	0.316	40%	0.397	S	S	.	.			trans	-65.3	113.6	-175	179.8	3.9	0	0	0	112	D600 L604	D600-D602 PolarHBondContact O-N 2.86Å; D602-L604 PolarHBondContact O-N 3.46Å; D602-L604 VanDerWaalsContact O-N 3.1Å; D602-L604 WeakPolarHBondContact OD1-CB 3.12Å; D602-L604 VanDerWaalsContact OD1-CG 3.26Å; D602-L604 WeakPolarHBondContact OD1-CG 3.37Å; D602-L604 PolarHBondContact OD1-N 2.65Å
603	P	44.1	Very low	53.8	Low	42 Å²	42	82 Å²	82	27%	0.273	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-64.1	-16.1	-179.8	26.5	-34.5	0	0	0	113.8	I536 C601 Q605 S606	I536-P603 HydrophobicContact CD1-CB 4.18Å; I536-P603 HydrophobicContact CG1-CB 4.41Å; C601-P603 WeakPolarHBondContact O-CD 3.14Å; P603-Q605 PolarHBondContact O-N 3.37Å; P603-S606 PolarHBondContact O-OG 2.87Å
604	L	37.5	Very low	51.1	Low	95 Å²	95	83.5 Å²	83.5	50%	0.497	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-75.8	-15.7	-174.3	-58.9	171.6	0	0	0	114.3	D602	D602-L604 PolarHBondContact O-N 3.46Å; D602-L604 VanDerWaalsContact O-N 3.1Å; D602-L604 WeakPolarHBondContact OD1-CB 3.12Å; D602-L604 VanDerWaalsContact OD1-CG 3.26Å; D602-L604 WeakPolarHBondContact OD1-CG 3.37Å; D602-L604 PolarHBondContact OD1-N 2.65Å
605	Q	38.2	Very low	48.5	Very low	146 Å²	146	86.5 Å²	86.5	68%	0.682	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-93.2	0.5	-178.1	-60.4	-162.9	31.8	0	0	114.9	P603 N607	P603-Q605 PolarHBondContact O-N 3.37Å; Q605-N607 PolarHBondContact O-N 3.03Å; Q605-N607 VanDerWaalsContact O-N 3.1Å
606	S	31.9	Very low	45.9	Very low	57 Å²	57	92.7 Å²	92.7	40%	0.399	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-70.6	-3.4	-171.3	54.7	0	0	0	0	116.4	P603 S608 I609	P603-S606 PolarHBondContact O-OG 2.87Å; S606-S608 PolarHBondContact O-N 2.78Å; S606-S608 VanDerWaalsContact O-N 3.1Å; S606-I609 PolarHBondContact O-N 2.67Å
607	N	29.7	Very low	43.3	Very low	93 Å²	93	96.3 Å²	96.3	50%	0.497	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-53	-34	-179	-69.2	-25.3	0	0	0	114.3	Q605 I609 M610 D611	Q605-N607 PolarHBondContact O-N 3.03Å; Q605-N607 VanDerWaalsContact O-N 3.1Å; N607-I609 PolarHBondContact O-N 3.14Å; N607-M610 PolarHBondContact O-N 2.97Å; N607-D611 PolarHBondContact O-N 3.01Å
608	S	31.5	Very low	40.6	Very low	81 Å²	81	100.5 Å²	100.5	57%	0.566	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-62.8	-12.8	-172.9	65.8	0	0	0	0	115.8	S606	S606-S608 PolarHBondContact O-N 2.78Å; S606-S608 VanDerWaalsContact O-N 3.1Å
609	I	29.8	Very low	38.1	Very low	129 Å²	129	108.1 Å²	108.1	66%	0.662	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-84.5	-33.9	174.5	-61.3	179.5	0	0	0	111.2	S606 N607	S606-I609 PolarHBondContact O-N 2.67Å; N607-I609 PolarHBondContact O-N 3.14Å
610	M	29.9	Very low	35.6	Very low	106 Å²	106	111.3 Å²	111.3	52%	0.522	59%	0.594	S	S	.	*	G	3₁₀ helix	trans	-78.3	-27.7	179.2	-79.5	-72.3	-92.7	0	0	113.3	N607 K612 L613 S614	N607-M610 PolarHBondContact O-N 2.97Å; M610-K612 PolarHBondContact O-N 2.78Å; M610-K612 VanDerWaalsContact O-N 3.12Å; M610-L613 PolarHBondContact O-N 3.18Å; M610-S614 PolarHBondContact O-N 3.31Å; M610-S614 PolarHBondContact O-OG 2.93Å
611	D	29.4	Very low	33.6	Very low	115 Å²	115	111.3 Å²	111.3	62%	0.615	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-61.7	-18.9	177.7	-69.4	-30.8	0	0	0	113.4	N607	N607-D611 PolarHBondContact O-N 3.01Å
612	K	30.6	Very low	32.4	Very low	185 Å²	185	116.8 Å²	116.8	80%	0.804	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-86.5	-4.7	175.3	-73.3	-175.9	177.4	175.7	0	114.9	M610	M610-K612 PolarHBondContact O-N 2.78Å; M610-K612 VanDerWaalsContact O-N 3.12Å
613	L	28.4	Very low	31.6	Very low	143 Å²	143	122.8 Å²	122.8	75%	0.749	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.4	-1.8	-176	-68	174.2	0	0	0	114.3	M610	M610-L613 PolarHBondContact O-N 3.18Å
614	S	27.5	Very low	31	Very low	52 Å²	52	127.1 Å²	127.1	36%	0.364	67%	0.67	S	S	.	*			trans	-110.5	28.3	-176.1	-59.3	0	0	0	0	114.4	M610	M610-S614 PolarHBondContact O-N 3.31Å; M610-S614 PolarHBondContact O-OG 2.93Å
615	L	28.5	Very low	30.9	Very low	158 Å²	158	129 Å²	129	83%	0.827	68%	0.68	S	S	*	*	S	Bend	trans	-96.8	3	-173.5	-123.8	166.1	0	0	0	115
616	E	27.4	Very low	30.8	Very low	193 Å²	193	128.2 Å²	128.2	90%	0.902	67%	0.674	S	S	*	*	S	Bend	trans	-134.2	120.2	169.3	-66.1	-173.3	162	0	0	109.5
617	G	27.2	Very low	30.9	Very low	77 Å²	77	128.3 Å²	128.3	79%	0.794	67%	0.671	S	S	*	*			trans	134	114.6	-179.7	0	0	0	0	0	113.1
618	E	29.7	Very low	31.1	Very low	192 Å²	192	126.5 Å²	126.5	90%	0.897	66%	0.663	S	S	*	*			trans	-83.8	164.5	179.9	-62.8	178.5	111.1	0	0	112.9
619	E	29.6	Very low	31.2	Very low	173 Å²	173	126.5 Å²	126.5	81%	0.808	66%	0.662	S	S	*	*			trans	56.1	110.3	166.8	-54.2	-168.8	150	0	0	118.9
620	N	28.7	Very low	31.3	Very low	135 Å²	135	123.6 Å²	123.6	72%	0.722	65%	0.647	S	S	*	*				176.6	163.8	98.4	-93.2	-70.9	0	0	0	113	D622	N620-D622 PolarHBondContact O-N 3.34Å
621	S	31.6	Very low	31.3	Very low	98 Å²	98	121.5 Å²	121.5	69%	0.685	64%	0.641	S	S	*	*	S	Bend	trans	-76.7	-8.1	-164.8	42.8	0	0	0	0	117.3	R623	S621-R623 PolarHBondContact O-N 3.2Å
622	D	36.3	Very low	31.7	Very low	123 Å²	123	120.2 Å²	120.2	66%	0.658	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	6	-149.5	-60.1	-3.2	0	0	0	114.9	N620 N624	N620-D622 PolarHBondContact O-N 3.34Å; D622-N624 PolarHBondContact O-N 2.76Å
623	R	35.9	Very low	31.7	Very low	186 Å²	186	118 Å²	118	70%	0.702	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-13.6	-177.5	-83.6	-172.7	173.4	-176	-0.9	115.1	S621	S621-R623 PolarHBondContact O-N 3.2Å
624	N	31.6	Very low	31.8	Very low	133 Å²	133	115.7 Å²	115.7	71%	0.711	60%	0.601	S	S	*	*	H	α-helix	trans	-77.7	-27.6	-176	-83.9	-14.6	0	0	0	115.3	D622 T628	D622-N624 PolarHBondContact O-N 2.76Å; N624-T628 PolarHBondContact O-OG1 3.08Å
625	D	35.8	Very low	32.1	Very low	133 Å²	133	118.6 Å²	118.6	71%	0.711	61%	0.608	S	S	*	*	H	α-helix	trans	-76.6	-34.5	-172.2	-87.2	-22.5	0	0	0	113.6	T628 C629	D625-T628 WeakPolarHBondContact O-CB 3.23Å; D625-T628 PolarHBondContact O-N 2.79Å; D625-C629 PolarHBondContact O-N 3.41Å
626	K	36.5	Very low	32.4	Very low	130 Å²	130	113.5 Å²	113.5	57%	0.565	58%	0.581	S	S	*	*	H	α-helix	trans	-68.5	-45.9	-177.9	-70.3	-164.3	177	-170.1	0	113.1	D525 T628 C629	D525-K626 WeakPolarHBondContact OD1-CE 3.33Å; D525-K626 IonicContact OD1-NZ 2.75Å; D525-K626 PolarHBondContact OD1-NZ 3.49Å; D525-K626 IonicContact OD2-NZ 2.63Å; K626-T628 PolarHBondContact O-N 3.41Å; K626-C629 WeakPolarHBondContact O-CB 3.47Å; K626-C629 PolarHBondContact O-N 3.36Å; K626-C629 VanDerWaalsContact O-N 3.09Å
627	N	33.2	Very low	32.7	Very low	60 Å²	60	109.3 Å²	109.3	32%	0.321	56%	0.562	S	S	.	*	H	α-helix	trans	-65	-28.6	177.2	-122.8	13.9	0	0	0	111.7	R532 C629 T631	R532-N627 PolarHBondContact NH1-OD1 3.39Å; R532-N627 PolarHBondContact NH2-OD1 3.35Å; N627-C629 PolarHBondContact O-N 2.99Å; N627-T631 WeakPolarHBondContact O-CB 3.46Å; N627-T631 PolarHBondContact O-N 3.35Å; N627-T631 PolarHBondContact O-OG1 2.77Å
628	T	34.6	Very low	33.1	Very low	55 Å²	55	110.2 Å²	110.2	34%	0.337	55%	0.547	S	S	.	.	H	α-helix	trans	-63.6	-26.2	175.4	-63.4	0	0	0	0	112.5	N624 D625 K626 K632	N624-T628 PolarHBondContact O-OG1 3.08Å; D625-T628 WeakPolarHBondContact O-CB 3.23Å; D625-T628 PolarHBondContact O-N 2.79Å; K626-T628 PolarHBondContact O-N 3.41Å; T628-K632 HydrophobicContact CG2-CD 3.94Å; T628-K632 VanDerWaalsContact CG2-CE 3.5Å; T628-K632 HydrophobicContact CG2-CG 4.34Å; T628-K632 VanDerWaalsContact O-CB 3.24Å; T628-K632 WeakPolarHBondContact O-CB 3.43Å; T628-K632 WeakPolarHBondContact O-CD 3.28Å; T628-K632 WeakPolarHBondContact O-CG 3.26Å; T628-K632 PolarHBondContact O-N 2.92Å
629	C	33.5	Very low	33.5	Very low	81 Å²	81	102.6 Å²	102.6	55%	0.547	51%	0.513	S	S	.	.	H	α-helix	trans	-73.7	-52.9	-178.3	-162.1	0	0	0	0	112.9	D625 K626 N627 K632 Y633	D625-C629 PolarHBondContact O-N 3.41Å; K626-C629 WeakPolarHBondContact O-CB 3.47Å; K626-C629 PolarHBondContact O-N 3.36Å; K626-C629 VanDerWaalsContact O-N 3.09Å; N627-C629 PolarHBondContact O-N 2.99Å; C629-K632 PolarHBondContact O-N 3.41Å; C629-Y633 PolarHBondContact O-N 3Å
630	L	30.8	Very low	34	Very low	67 Å²	67	99.2 Å²	99.2	35%	0.351	50%	0.495	S	S	.	.	H	α-helix	trans	-66.9	-38.2	176.4	-83.6	167.1	0	0	0	112.2	K632 Y633 F634	L630-K632 VanDerWaalsContact C-N 3.32Å; L630-K632 PolarHBondContact O-N 3.38Å; L630-Y633 WeakPolarHBondContact O-CB 3.45Å; L630-Y633 PolarHBondContact O-N 3.28Å; L630-F634 HydrophobicContact CD2-CE2 4.44Å; L630-F634 PolarHBondContact O-N 3.46Å
631	T	31.6	Very low	34.8	Very low	63 Å²	63	99.6 Å²	99.6	39%	0.387	49%	0.493	S	S	.	.	H	α-helix	trans	-64.7	-37.5	175.9	-53.4	0	0	0	0	111.3	N627 Y633 K635	N627-T631 WeakPolarHBondContact O-CB 3.46Å; N627-T631 PolarHBondContact O-N 3.35Å; N627-T631 PolarHBondContact O-OG1 2.77Å; T631-Y633 VanDerWaalsContact C-N 3.34Å; T631-K635 WeakPolarHBondContact O-CB 3.48Å; T631-K635 PolarHBondContact O-N 2.88Å
632	K	36.1	Very low	35.4	Very low	87 Å²	87	98.1 Å²	98.1	38%	0.378	48%	0.476	S	S	.	.	H	α-helix	trans	-63.3	-37.6	168.6	-81.8	171.8	-179.9	171.4	0	112.2	T169 T628 C629 L630 N636	T169-K632 HydrophobicContact CG2-CB 4.38Å; T169-K632 HydrophobicContact CG2-CD 4.38Å; T169-K632 HydrophobicContact CG2-CG 4.46Å; T628-K632 HydrophobicContact CG2-CD 3.94Å; T628-K632 VanDerWaalsContact CG2-CE 3.5Å; T628-K632 HydrophobicContact CG2-CG 4.34Å; T628-K632 VanDerWaalsContact O-CB 3.24Å; T628-K632 WeakPolarHBondContact O-CB 3.43Å; T628-K632 WeakPolarHBondContact O-CD 3.28Å; T628-K632 WeakPolarHBondContact O-CG 3.26Å; T628-K632 PolarHBondContact O-N 2.92Å; C629-K632 PolarHBondContact O-N 3.41Å; L630-K632 VanDerWaalsContact C-N 3.32Å; L630-K632 PolarHBondContact O-N 3.38Å; K632-N636 WeakPolarHBondContact O-CB 3.35Å; K632-N636 PolarHBondContact O-N 3.45Å; K632-N636 PolarHBondContact O-ND2 2.9Å
633	Y	31.4	Very low	35.6	Very low	138 Å²	138	92.9 Å²	92.9	54%	0.541	45%	0.447	S	S	.	.	H	α-helix	trans	-67	-49.7	-177.8	-165	-91.8	0	0	0	112.7	C629 L630 T631 N636 Q637	C629-Y633 PolarHBondContact O-N 3Å; L630-Y633 WeakPolarHBondContact O-CB 3.45Å; L630-Y633 PolarHBondContact O-N 3.28Å; T631-Y633 VanDerWaalsContact C-N 3.34Å; Y633-N636 WeakPolarHBondContact O-CB 3.5Å; Y633-N636 PolarHBondContact O-N 2.91Å; Y633-Q637 PolarHBondContact O-N 2.79Å
634	F	30	Very low	36.1	Very low	96 Å²	96	86.3 Å²	86.3	42%	0.421	43%	0.425	S	S	.	.	H	α-helix	trans	-66.8	-39.9	174.2	-76.2	-73	0	0	0	112	L630 N636 Q637 I638	L630-F634 HydrophobicContact CD2-CE2 4.44Å; L630-F634 PolarHBondContact O-N 3.46Å; F634-N636 VanDerWaalsContact C-N 3.27Å; F634-N636 PolarHBondContact O-N 3.43Å; F634-Q637 PolarHBondContact O-N 3.49Å; F634-Q637 VanDerWaalsContact O-N 3.1Å; F634-I638 PolarHBondContact O-N 2.86Å
635	K	33.5	Very low	36.9	Very low	113 Å²	113	85.4 Å²	85.4	49%	0.491	42%	0.416	S	S	.	.	H	α-helix	trans	-62.2	-33.1	173.6	-170.5	173.4	-180	-176.3	0	112.2	T631 Q637 I638 D639	T631-K635 WeakPolarHBondContact O-CB 3.48Å; T631-K635 PolarHBondContact O-N 2.88Å; K635-Q637 VanDerWaalsContact C-N 3.34Å; K635-Q637 PolarHBondContact O-N 3.46Å; K635-I638 PolarHBondContact O-N 2.73Å; K635-D639 VanDerWaalsContact CE-OD2 3.31Å; K635-D639 WeakPolarHBondContact CE-OD2 3.47Å; K635-D639 WeakPolarHBondContact CG-OD2 3.37Å; K635-D639 WeakPolarHBondContact O-CA 3.41Å; K635-D639 WeakPolarHBondContact O-CB 3.47Å; K635-D639 PolarHBondContact O-N 3.32Å
636	N	36.2	Very low	37.3	Very low	51 Å²	51	81.7 Å²	81.7	27%	0.273	39%	0.394	S	S	.	.	H	α-helix	trans	-64.7	-34	173.3	-76	-36.2	0	0	0	112.9	T169 K632 Y633 F634 F640	T169-N636 WeakPolarHBondContact CG2-ND2 3.34Å; T169-N636 VanDerWaalsContact CG2-OD1 3.25Å; T169-N636 WeakPolarHBondContact CG2-OD1 3.47Å; K632-N636 WeakPolarHBondContact O-CB 3.35Å; K632-N636 PolarHBondContact O-N 3.45Å; K632-N636 PolarHBondContact O-ND2 2.9Å; Y633-N636 WeakPolarHBondContact O-CB 3.5Å; Y633-N636 PolarHBondContact O-N 2.91Å; F634-N636 VanDerWaalsContact C-N 3.27Å; F634-N636 PolarHBondContact O-N 3.43Å; N636-F640 WeakPolarHBondContact O-CB 3.42Å; N636-F640 PolarHBondContact O-N 2.87Å
637	Q	34.1	Very low	37.6	Very low	105 Å²	105	78.8 Å²	78.8	49%	0.491	38%	0.38	S	S	.	.	H	α-helix	trans	-71.1	-48.8	174	-81.8	-173.7	-38.5	0	0	111	Y633 F634 K635 D639 F640 E641	Y633-Q637 PolarHBondContact O-N 2.79Å; F634-Q637 PolarHBondContact O-N 3.49Å; F634-Q637 VanDerWaalsContact O-N 3.1Å; K635-Q637 VanDerWaalsContact C-N 3.34Å; K635-Q637 PolarHBondContact O-N 3.46Å; Q637-D639 PolarHBondContact O-N 3.45Å; Q637-F640 PolarHBondContact O-N 2.88Å; Q637-E641 PolarHBondContact O-N 3.17Å
638	I	33.8	Very low	38.3	Very low	95 Å²	95	80.1 Å²	80.1	49%	0.487	39%	0.387	S	S	.	.	H	α-helix	trans	-62.6	-44.9	178.9	-65.1	170.2	0	0	0	110.9	F634 K635 F640 E641 I642	F634-I638 PolarHBondContact O-N 2.86Å; K635-I638 PolarHBondContact O-N 2.73Å; I638-F640 VanDerWaalsContact C-N 3.26Å; I638-F640 PolarHBondContact O-N 3.19Å; I638-E641 PolarHBondContact O-N 3.26Å; I638-I642 HydrophobicContact CG2-CD1 3.68Å; I638-I642 HydrophobicContact CG2-CG1 4.35Å; I638-I642 VanDerWaalsContact O-CB 3.31Å; I638-I642 WeakPolarHBondContact O-CB 3.2Å; I638-I642 VanDerWaalsContact O-CG1 3.24Å; I638-I642 WeakPolarHBondContact O-CG1 3.14Å; I638-I642 PolarHBondContact O-N 3.43Å
639	D	38	Very low	38.9	Very low	33 Å²	33	82.5 Å²	82.5	18%	0.176	39%	0.394	C	S	.	.	H	α-helix	trans	-64.7	-27.6	174.3	-72.1	-6.9	0	0	0	111.5	K635 Q637 W643	K635-D639 VanDerWaalsContact CE-OD2 3.31Å; K635-D639 WeakPolarHBondContact CE-OD2 3.47Å; K635-D639 WeakPolarHBondContact CG-OD2 3.37Å; K635-D639 WeakPolarHBondContact O-CA 3.41Å; K635-D639 WeakPolarHBondContact O-CB 3.47Å; K635-D639 PolarHBondContact O-N 3.32Å; Q637-D639 PolarHBondContact O-N 3.45Å; D639-W643 WeakPolarHBondContact O-CA 3.42Å; D639-W643 WeakPolarHBondContact O-CB 3.33Å; D639-W643 PolarHBondContact O-N 3.29Å
640	F	40	Very low	39.3	Very low	102 Å²	102	80 Å²	80	45%	0.447	38%	0.375	S	S	.	.	H	α-helix	trans	-78.1	-36.6	174.6	-167	-84.3	0	0	0	112.7	N636 Q637 I638 W643 E644	N636-F640 WeakPolarHBondContact O-CB 3.42Å; N636-F640 PolarHBondContact O-N 2.87Å; Q637-F640 PolarHBondContact O-N 2.88Å; I638-F640 VanDerWaalsContact C-N 3.26Å; I638-F640 PolarHBondContact O-N 3.19Å; F640-W643 HydrophobicContact CD2-CE3 4.36Å; F640-W643 HydrophobicContact CE2-CE3 4.15Å; F640-W643 AromaticContact CE2-CZ3 3.97Å; F640-W643 HydrophobicContact CE2-CZ3 3.97Å; F640-W643 HydrophobicContact CZ-CE3 4.29Å; F640-W643 AromaticContact CZ-CZ3 3.95Å; F640-W643 HydrophobicContact CZ-CZ3 3.95Å; F640-W643 PolarHBondContact O-N 3.02Å; F640-E644 WeakPolarHBondContact O-CB 3.49Å; F640-E644 PolarHBondContact O-N 3.27Å
641	E	45.3	Very low	39.9	Very low	143 Å²	143	80.2 Å²	80.2	67%	0.668	38%	0.376	S	S	*	.	H	α-helix	trans	-70	-42.6	172.4	-69	-166.7	146.9	0	0	111.4	Q637 I638 E644 Q645	Q637-E641 PolarHBondContact O-N 3.17Å; I638-E641 PolarHBondContact O-N 3.26Å; E641-E644 PolarHBondContact O-N 3.09Å; E641-Q645 WeakPolarHBondContact O-CB 3.41Å; E641-Q645 PolarHBondContact O-N 2.91Å
642	I	44.2	Very low	40.8	Very low	66 Å²	66	81.8 Å²	81.8	34%	0.338	38%	0.382	S	S	.	.	H	α-helix	trans	-61.8	-42.9	170.8	-69.3	172.2	0	0	0	110.3	I638 Q645 Q646	I638-I642 HydrophobicContact CG2-CD1 3.68Å; I638-I642 HydrophobicContact CG2-CG1 4.35Å; I638-I642 VanDerWaalsContact O-CB 3.31Å; I638-I642 WeakPolarHBondContact O-CB 3.2Å; I638-I642 VanDerWaalsContact O-CG1 3.24Å; I638-I642 WeakPolarHBondContact O-CG1 3.14Å; I638-I642 PolarHBondContact O-N 3.43Å; I642-Q645 PolarHBondContact O-N 3.49Å; I642-Q646 HydrophobicContact CG2-CG 4.19Å; I642-Q646 VanDerWaalsContact O-CB 3.28Å; I642-Q646 WeakPolarHBondContact O-CB 3.4Å; I642-Q646 VanDerWaalsContact O-CG 3.26Å; I642-Q646 WeakPolarHBondContact O-CG 3.35Å; I642-Q646 PolarHBondContact O-N 3.39Å
643	W	42.4	Very low	41.1	Very low	13 Å²	13	79 Å²	79	5%	0.049	38%	0.376	C	S	.	.	H	α-helix	trans	-63.3	-40.2	174.1	177.4	83.5	0	0	0	111.8	I103 V162 L166 D639 F640 R647	I103-W643 HydrophobicContact CD1-CH2 4.45Å; I103-W643 HydrophobicContact CD1-CZ2 4.36Å; V162-W643 HydrophobicContact CG1-CB 3.9Å; V162-W643 HydrophobicContact CG1-CG 4.19Å; L166-W643 HydrophobicContact CD1-CB 4.26Å; L166-W643 HydrophobicContact CD1-CD2 4.5Å; L166-W643 HydrophobicContact CD1-CG 4.03Å; D639-W643 WeakPolarHBondContact O-CA 3.42Å; D639-W643 WeakPolarHBondContact O-CB 3.33Å; D639-W643 PolarHBondContact O-N 3.29Å; F640-W643 HydrophobicContact CD2-CE3 4.36Å; F640-W643 HydrophobicContact CE2-CE3 4.15Å; F640-W643 AromaticContact CE2-CZ3 3.97Å; F640-W643 HydrophobicContact CE2-CZ3 3.97Å; F640-W643 HydrophobicContact CZ-CE3 4.29Å; F640-W643 AromaticContact CZ-CZ3 3.95Å; F640-W643 HydrophobicContact CZ-CZ3 3.95Å; F640-W643 PolarHBondContact O-N 3.02Å; W643-R647 WeakPolarHBondContact O-CA 3.49Å; W643-R647 WeakPolarHBondContact O-CB 3.48Å; W643-R647 PolarHBondContact O-N 2.98Å
644	E	45.2	Very low	41.6	Very low	48 Å²	48	75 Å²	75	22%	0.224	36%	0.361	C	S	.	.	H	α-helix	trans	-66.7	-43.2	176	177.1	149.8	166.3	0	0	111.7	K444 F640 E641 R647 N648	K444-E644 WeakPolarHBondContact CD-OE2 3.49Å; K444-E644 IonicContact NZ-OE1 2.64Å; K444-E644 PolarHBondContact NZ-OE1 2.64Å; K444-E644 IonicContact NZ-OE2 2.67Å; K444-E644 PolarHBondContact NZ-OE2 2.83Å; F640-E644 WeakPolarHBondContact O-CB 3.49Å; F640-E644 PolarHBondContact O-N 3.27Å; E641-E644 PolarHBondContact O-N 3.09Å; E644-R647 PolarHBondContact O-N 3.36Å; E644-N648 WeakPolarHBondContact O-CB 3.44Å; E644-N648 PolarHBondContact O-N 3.34Å; E644-N648 PolarHBondContact O-ND2 3.44Å; E644-N648 VanDerWaalsContact O-ND2 3.09Å
645	Q	49.1	Very low	42.4	Very low	114 Å²	114	77.6 Å²	77.6	53%	0.533	37%	0.372	S	S	.	.	H	α-helix	trans	-60.5	-55	173.8	-179.1	177.8	-17.8	0	0	110.8	E641 I642 R647 N648 E649	E641-Q645 WeakPolarHBondContact O-CB 3.41Å; E641-Q645 PolarHBondContact O-N 2.91Å; I642-Q645 PolarHBondContact O-N 3.49Å; Q645-R647 VanDerWaalsContact C-N 3.26Å; Q645-R647 PolarHBondContact O-N 3.03Å; Q645-N648 CarbonylContact O-C 3.46Å; Q645-N648 WeakPolarHBondContact O-CA 3.36Å; Q645-N648 WeakPolarHBondContact O-CB 3.3Å; Q645-N648 PolarHBondContact O-N 2.81Å; Q645-E649 HydrophobicContact CG-CG 4.43Å; Q645-E649 VanDerWaalsContact CG-OE1 3.31Å; Q645-E649 WeakPolarHBondContact CG-OE1 3.28Å; Q645-E649 PolarHBondContact NE2-OE1 3.02Å; Q645-E649 WeakPolarHBondContact O-CG 3.46Å; Q645-E649 PolarHBondContact O-N 2.82Å
646	Q	43.6	Very low	43	Very low	55 Å²	55	77.8 Å²	77.8	26%	0.257	37%	0.374	S	S	.	.	H	α-helix	trans	-60.6	-34.2	178.1	-71.7	179.9	5.1	0	0	112.3	L159 I642 M650	L159-Q646 HydrophobicContact CD1-CB 4.27Å; I642-Q646 HydrophobicContact CG2-CG 4.19Å; I642-Q646 VanDerWaalsContact O-CB 3.28Å; I642-Q646 WeakPolarHBondContact O-CB 3.4Å; I642-Q646 VanDerWaalsContact O-CG 3.26Å; I642-Q646 WeakPolarHBondContact O-CG 3.35Å; I642-Q646 PolarHBondContact O-N 3.39Å; Q646-M650 WeakPolarHBondContact O-CB 3.33Å; Q646-M650 PolarHBondContact O-N 3.19Å
647	R	42.8	Very low	43.2	Very low	70 Å²	70	76.9 Å²	76.9	26%	0.264	37%	0.368	S	S	.	.	H	α-helix	trans	-70.8	-34.3	173.8	-173.7	179	-170.8	-156.9	4.5	111.6	W643 E644 Q645 N651	W643-R647 WeakPolarHBondContact O-CA 3.49Å; W643-R647 WeakPolarHBondContact O-CB 3.48Å; W643-R647 PolarHBondContact O-N 2.98Å; E644-R647 PolarHBondContact O-N 3.36Å; Q645-R647 VanDerWaalsContact C-N 3.26Å; Q645-R647 PolarHBondContact O-N 3.03Å; R647-N651 VanDerWaalsContact O-CB 3.29Å; R647-N651 WeakPolarHBondContact O-CB 3.43Å; R647-N651 VanDerWaalsContact O-CG 3.24Å; R647-N651 PolarHBondContact O-N 3.29Å; R647-N651 PolarHBondContact O-ND2 2.8Å
648	N	49	Very low	43.7	Very low	87 Å²	87	75.4 Å²	75.4	47%	0.465	36%	0.363	S	S	.	.	H	α-helix	trans	-72	-43.3	174.1	-72.4	-31.3	0	0	0	111.2	E644 Q645 N651 L652	E644-N648 WeakPolarHBondContact O-CB 3.44Å; E644-N648 PolarHBondContact O-N 3.34Å; E644-N648 PolarHBondContact O-ND2 3.44Å; E644-N648 VanDerWaalsContact O-ND2 3.09Å; Q645-N648 CarbonylContact O-C 3.46Å; Q645-N648 WeakPolarHBondContact O-CA 3.36Å; Q645-N648 WeakPolarHBondContact O-CB 3.3Å; Q645-N648 PolarHBondContact O-N 2.81Å; N648-N651 PolarHBondContact O-N 2.91Å; N648-L652 PolarHBondContact O-N 2.68Å
649	E	46.5	Very low	44.4	Very low	105 Å²	105	76.9 Å²	76.9	49%	0.491	37%	0.368	S	S	.	.	H	α-helix	trans	-62	-45.7	172.4	-71.4	176.1	-165.8	0	0	111.6	Q645 N651 L652 A653	Q645-E649 HydrophobicContact CG-CG 4.43Å; Q645-E649 VanDerWaalsContact CG-OE1 3.31Å; Q645-E649 WeakPolarHBondContact CG-OE1 3.28Å; Q645-E649 PolarHBondContact NE2-OE1 3.02Å; Q645-E649 WeakPolarHBondContact O-CG 3.46Å; Q645-E649 PolarHBondContact O-N 2.82Å; E649-N651 VanDerWaalsContact C-N 3.31Å; E649-N651 PolarHBondContact O-N 3.32Å; E649-L652 WeakPolarHBondContact O-CB 2.96Å; E649-L652 PolarHBondContact O-N 3.47Å; E649-L652 VanDerWaalsContact O-N 3.12Å; E649-A653 WeakPolarHBondContact O-CB 3.31Å; E649-A653 PolarHBondContact O-N 3.18Å
650	M	41.2	Very low	44.7	Very low	28 Å²	28	77.9 Å²	77.9	14%	0.138	38%	0.381	C	S	.	.	H	α-helix	trans	-62.7	-36.2	173.5	-177.9	-177.1	62.3	0	0	111.7	L159 Q646 K654	L159-M650 HydrophobicContact CD1-CB 4.44Å; L159-M650 HydrophobicContact CD1-CE 3.71Å; L159-M650 HydrophobicContact CD1-SD 3.91Å; L159-M650 HydrophobicContact CD2-CE 3.87Å; L159-M650 HydrophobicContact CD2-SD 4.16Å; L159-M650 HydrophobicContact CG-CE 4.45Å; Q646-M650 WeakPolarHBondContact O-CB 3.33Å; Q646-M650 PolarHBondContact O-N 3.19Å; M650-K654 WeakPolarHBondContact O-CB 3.47Å; M650-K654 PolarHBondContact O-N 2.83Å
651	N	44.4	Very low	44.8	Very low	72 Å²	72	74.5 Å²	74.5	39%	0.385	37%	0.367	S	S	.	.	H	α-helix	trans	-68.7	-33.2	173.7	-83.6	-53.9	0	0	0	112.4	R647 N648 E649 K655	R647-N651 VanDerWaalsContact O-CB 3.29Å; R647-N651 WeakPolarHBondContact O-CB 3.43Å; R647-N651 VanDerWaalsContact O-CG 3.24Å; R647-N651 PolarHBondContact O-N 3.29Å; R647-N651 PolarHBondContact O-ND2 2.8Å; N648-N651 PolarHBondContact O-N 2.91Å; E649-N651 VanDerWaalsContact C-N 3.31Å; E649-N651 PolarHBondContact O-N 3.32Å; N651-K655 WeakPolarHBondContact O-CG 3.36Å; N651-K655 PolarHBondContact O-N 3.33Å; N651-K655 VanDerWaalsContact O-N 3.16Å
652	L	50.6	Low	44.8	Very low	97 Å²	97	71.4 Å²	71.4	51%	0.508	36%	0.355	S	S	.	.	H	α-helix	trans	-70.6	-53.6	173.8	-178.5	61.8	0	0	0	110.5	N648 E649 K654 K655 E656	N648-L652 PolarHBondContact O-N 2.68Å; E649-L652 WeakPolarHBondContact O-CB 2.96Å; E649-L652 PolarHBondContact O-N 3.47Å; E649-L652 VanDerWaalsContact O-N 3.12Å; L652-K654 PolarHBondContact O-N 3Å; L652-K655 WeakPolarHBondContact O-CA 3.31Å; L652-K655 WeakPolarHBondContact O-CB 3.32Å; L652-K655 PolarHBondContact O-N 3.28Å; L652-E656 WeakPolarHBondContact O-CG 3.46Å; L652-E656 PolarHBondContact O-N 3.32Å
653	A	41.6	Very low	45.2	Very low	29 Å²	29	72.6 Å²	72.6	24%	0.24	36%	0.362	C	S	.	.	H	α-helix	trans	-57.2	-36	175.1	0	0	0	0	0	112.2	E649 E656 F657	E649-A653 WeakPolarHBondContact O-CB 3.31Å; E649-A653 PolarHBondContact O-N 3.18Å; A653-E656 PolarHBondContact O-N 3.39Å; A653-F657 WeakPolarHBondContact O-CB 3.44Å; A653-F657 PolarHBondContact O-N 3.47Å
654	K	42.5	Very low	45.4	Very low	54 Å²	54	73.8 Å²	73.8	24%	0.235	37%	0.37	C	S	.	.	H	α-helix	trans	-65.5	-38.7	172.5	179.9	177.5	175.7	-177	0	112.2	I97 M650 L652 I658	I97-K654 PolarHBondContact O-NZ 3.21Å; M650-K654 WeakPolarHBondContact O-CB 3.47Å; M650-K654 PolarHBondContact O-N 2.83Å; L652-K654 PolarHBondContact O-N 3Å; K654-I658 HydrophobicContact CG-CD1 3.84Å; K654-I658 HydrophobicContact CG-CG1 4.49Å; K654-I658 WeakPolarHBondContact O-CB 3.41Å; K654-I658 WeakPolarHBondContact O-CD1 3.18Å; K654-I658 WeakPolarHBondContact O-CG1 3.43Å; K654-I658 PolarHBondContact O-N 3.25Å
655	K	47	Very low	45.3	Very low	149 Å²	149	73.8 Å²	73.8	65%	0.648	37%	0.371	S	S	*	.	H	α-helix	trans	-66.1	-48	173.7	-76.1	174.5	175.2	-174.3	0	111.1	N651 L652 F657 I658 Q659	N651-K655 WeakPolarHBondContact O-CG 3.36Å; N651-K655 PolarHBondContact O-N 3.33Å; N651-K655 VanDerWaalsContact O-N 3.16Å; L652-K655 WeakPolarHBondContact O-CA 3.31Å; L652-K655 WeakPolarHBondContact O-CB 3.32Å; L652-K655 PolarHBondContact O-N 3.28Å; K655-F657 VanDerWaalsContact C-N 3.32Å; K655-F657 PolarHBondContact O-N 2.96Å; K655-I658 PolarHBondContact O-N 3.25Å; K655-Q659 VanDerWaalsContact O-CB 3.3Å; K655-Q659 WeakPolarHBondContact O-CB 3.38Å; K655-Q659 PolarHBondContact O-N 2.86Å
656	E	46	Very low	45.2	Very low	117 Å²	117	72.9 Å²	72.9	55%	0.547	37%	0.37	S	S	.	.	H	α-helix	trans	-60.1	-43.1	177.6	-68.7	173.2	174.9	0	0	111.2	L652 A653 Q659 A660	L652-E656 WeakPolarHBondContact O-CG 3.46Å; L652-E656 PolarHBondContact O-N 3.32Å; A653-E656 PolarHBondContact O-N 3.39Å; E656-Q659 PolarHBondContact O-N 2.95Å; E656-A660 VanDerWaalsContact O-CB 3.26Å; E656-A660 WeakPolarHBondContact O-CB 3.47Å; E656-A660 PolarHBondContact O-N 3.42Å
657	F	40	Very low	45.5	Very low	32 Å²	32	75.2 Å²	75.2	14%	0.14	38%	0.38	C	S	.	.	H	α-helix	trans	-62.8	-47.5	174.6	-179.7	-87.2	0	0	0	112.3	I123 F127 A653 K655 Q659 A660 L661	I123-F657 HydrophobicContact CG2-CE1 3.94Å; I123-F657 HydrophobicContact CG2-CZ 4.23Å; F127-F657 HydrophobicContact CB-CZ 4.04Å; F127-F657 AromaticContact CD1-CE2 3.83Å; F127-F657 HydrophobicContact CD1-CE2 3.83Å; F127-F657 HydrophobicContact CD1-CZ 4.09Å; F127-F657 AromaticContact CD2-CE2 3.7Å; F127-F657 HydrophobicContact CD2-CE2 3.7Å; F127-F657 AromaticContact CD2-CZ 3.45Å; F127-F657 HydrophobicContact CD2-CZ 3.45Å; F127-F657 VanDerWaalsContact CD2-CZ 3.45Å; F127-F657 AromaticContact CE1-CE2 3.73Å; F127-F657 HydrophobicContact CE1-CE2 3.73Å; F127-F657 HydrophobicContact CE1-CZ 4.38Å; F127-F657 AromaticContact CE2-CE2 3.61Å; F127-F657 HydrophobicContact CE2-CE2 3.61Å; F127-F657 AromaticContact CE2-CZ 3.81Å; F127-F657 HydrophobicContact CE2-CZ 3.81Å; F127-F657 AromaticContact CG-CE2 3.81Å; F127-F657 HydrophobicContact CG-CE2 3.81Å; F127-F657 AromaticContact CG-CZ 3.6Å; F127-F657 HydrophobicContact CG-CZ 3.6Å; F127-F657 HydrophobicContact CZ-CD2 4.42Å; F127-F657 AromaticContact CZ-CE2 3.61Å; F127-F657 HydrophobicContact CZ-CE2 3.61Å; F127-F657 HydrophobicContact CZ-CZ 4.25Å; A653-F657 WeakPolarHBondContact O-CB 3.44Å; A653-F657 PolarHBondContact O-N 3.47Å; K655-F657 VanDerWaalsContact C-N 3.32Å; K655-F657 PolarHBondContact O-N 2.96Å; F657-Q659 VanDerWaalsContact C-N 3.3Å; F657-Q659 PolarHBondContact O-N 3.29Å; F657-A660 PolarHBondContact O-N 2.9Å; F657-L661 VanDerWaalsContact O-CB 3.28Å; F657-L661 WeakPolarHBondContact O-CB 3.24Å; F657-L661 PolarHBondContact O-N 3.22Å
658	I	43.7	Very low	45.5	Very low	74 Å²	74	74.1 Å²	74.1	38%	0.379	38%	0.379	S	S	.	.	H	α-helix	trans	-62.6	-39.3	175.7	-72.3	167.4	0	0	0	110.6	K654 K655 L661 N662	K654-I658 HydrophobicContact CG-CD1 3.84Å; K654-I658 HydrophobicContact CG-CG1 4.49Å; K654-I658 WeakPolarHBondContact O-CB 3.41Å; K654-I658 WeakPolarHBondContact O-CD1 3.18Å; K654-I658 WeakPolarHBondContact O-CG1 3.43Å; K654-I658 PolarHBondContact O-N 3.25Å; K655-I658 PolarHBondContact O-N 3.25Å; I658-L661 PolarHBondContact O-N 2.96Å; I658-N662 VanDerWaalsContact O-CB 3.28Å; I658-N662 WeakPolarHBondContact O-CB 3.31Å; I658-N662 PolarHBondContact O-N 2.83Å; I658-N662 PolarHBondContact O-ND2 3.49Å
659	Q	49.2	Very low	45.1	Very low	126 Å²	126	75 Å²	75	59%	0.589	38%	0.377	S	S	*	.	H	α-helix	trans	-71.3	-37.8	178.5	-170.2	163.8	-6.2	0	0	111.9	K655 E656 F657 N662 N663	K655-Q659 VanDerWaalsContact O-CB 3.3Å; K655-Q659 WeakPolarHBondContact O-CB 3.38Å; K655-Q659 PolarHBondContact O-N 2.86Å; E656-Q659 PolarHBondContact O-N 2.95Å; F657-Q659 VanDerWaalsContact C-N 3.3Å; F657-Q659 PolarHBondContact O-N 3.29Å; Q659-N662 PolarHBondContact O-N 3.17Å; Q659-N663 VanDerWaalsContact O-CB 3.28Å; Q659-N663 WeakPolarHBondContact O-CB 3.4Å; Q659-N663 PolarHBondContact O-N 3.36Å; Q659-N663 PolarHBondContact O-ND2 2.98Å; Q659-N663 PolarHBondContact O-OD1 2.87Å
660	A	45.4	Very low	44.9	Very low	55 Å²	55	75.7 Å²	75.7	46%	0.455	38%	0.38	S	S	.	.	H	α-helix	trans	-65.9	-41.1	171.7	0	0	0	0	0	111.9	E656 F657 N663 L664	E656-A660 VanDerWaalsContact O-CB 3.26Å; E656-A660 WeakPolarHBondContact O-CB 3.47Å; E656-A660 PolarHBondContact O-N 3.42Å; F657-A660 PolarHBondContact O-N 2.9Å; A660-N663 PolarHBondContact O-N 3.41Å; A660-L664 WeakPolarHBondContact O-CB 3.24Å; A660-L664 PolarHBondContact O-N 3.06Å
661	L	41.7	Very low	44.9	Very low	30 Å²	30	79.7 Å²	79.7	16%	0.157	40%	0.402	C	S	.	.	H	α-helix	trans	-64.2	-44.3	174.8	-165.5	82.7	0	0	0	111.1	L88 F127 F657 I658 L664 L665	L88-L661 HydrophobicContact CD2-CD2 4.3Å; F127-L661 HydrophobicContact CD2-CD1 3.98Å; F127-L661 HydrophobicContact CE2-CD1 4.19Å; F657-L661 VanDerWaalsContact O-CB 3.28Å; F657-L661 WeakPolarHBondContact O-CB 3.24Å; F657-L661 PolarHBondContact O-N 3.22Å; I658-L661 PolarHBondContact O-N 2.96Å; L661-L664 PolarHBondContact O-N 3.17Å; L661-L665 HydrophobicContact CD2-CD1 4.44Å; L661-L665 HydrophobicContact CG-CD1 4.22Å; L661-L665 VanDerWaalsContact O-CB 3.31Å; L661-L665 WeakPolarHBondContact O-CB 3.3Å; L661-L665 WeakPolarHBondContact O-CG 3.35Å; L661-L665 PolarHBondContact O-N 3.37Å
662	N	45.4	Very low	44.5	Very low	79 Å²	79	81.8 Å²	81.8	42%	0.422	41%	0.409	S	S	.	.	H	α-helix	trans	-65.3	-38.8	175.3	-74.1	-16.8	0	0	0	111.9	I658 Q659 N666	I658-N662 VanDerWaalsContact O-CB 3.28Å; I658-N662 WeakPolarHBondContact O-CB 3.31Å; I658-N662 PolarHBondContact O-N 2.83Å; I658-N662 PolarHBondContact O-ND2 3.49Å; Q659-N662 PolarHBondContact O-N 3.17Å; N662-N666 VanDerWaalsContact O-CB 3.23Å; N662-N666 WeakPolarHBondContact O-CB 3.19Å; N662-N666 PolarHBondContact O-N 2.93Å; N662-N666 PolarHBondContact O-ND2 3.33Å; N662-N666 VanDerWaalsContact O-ND2 3.15Å
663	N	52.4	Low	43.8	Very low	90 Å²	90	80 Å²	80	48%	0.481	40%	0.404	S	S	.	.	H	α-helix	trans	-65.6	-42.8	174.3	-72.9	-8.5	0	0	0	111.2	Q659 A660 N666 E667	Q659-N663 VanDerWaalsContact O-CB 3.28Å; Q659-N663 WeakPolarHBondContact O-CB 3.4Å; Q659-N663 PolarHBondContact O-N 3.36Å; Q659-N663 PolarHBondContact O-ND2 2.98Å; Q659-N663 PolarHBondContact O-OD1 2.87Å; A660-N663 PolarHBondContact O-N 3.41Å; N663-N666 PolarHBondContact O-N 3.03Å; N663-E667 PolarHBondContact O-N 3.16Å
664	L	46	Very low	43.4	Very low	39 Å²	39	88.2 Å²	88.2	20%	0.204	43%	0.431	C	S	.	.	H	α-helix	trans	-65.5	-42.8	176	-175	67.7	0	0	0	111.7	V130 L145 A660 L661 E667 M668	V130-L664 HydrophobicContact CG1-CD2 4.2Å; L145-L664 HydrophobicContact CD1-CD2 4.45Å; A660-L664 WeakPolarHBondContact O-CB 3.24Å; A660-L664 PolarHBondContact O-N 3.06Å; L661-L664 PolarHBondContact O-N 3.17Å; L664-E667 PolarHBondContact O-N 2.88Å; L664-M668 HydrophobicContact CG-SD 4.44Å; L664-M668 WeakPolarHBondContact O-CB 3.19Å; L664-M668 VanDerWaalsContact O-CG 3.3Å; L664-M668 WeakPolarHBondContact O-CG 3.34Å; L664-M668 PolarHBondContact O-N 3.09Å
665	L	42.5	Very low	43.1	Very low	48 Å²	48	94.2 Å²	94.2	25%	0.251	46%	0.457	S	S	.	.	H	α-helix	trans	-61.2	-43.4	172.8	-80.8	164.2	0	0	0	111.1	V81 L661 M668 Y669	V81-L665 HydrophobicContact CG1-CD2 3.85Å; L661-L665 HydrophobicContact CD2-CD1 4.44Å; L661-L665 HydrophobicContact CG-CD1 4.22Å; L661-L665 VanDerWaalsContact O-CB 3.31Å; L661-L665 WeakPolarHBondContact O-CB 3.3Å; L661-L665 WeakPolarHBondContact O-CG 3.35Å; L661-L665 PolarHBondContact O-N 3.37Å; L665-M668 PolarHBondContact O-N 3.17Å; L665-Y669 WeakPolarHBondContact O-CB 3.41Å; L665-Y669 WeakPolarHBondContact O-CD2 3.41Å; L665-Y669 PolarHBondContact O-N 3.12Å
666	N	48.4	Very low	42.3	Very low	95 Å²	95	95.2 Å²	95.2	51%	0.508	46%	0.463	S	S	.	.	H	α-helix	trans	-65.8	-39.9	175.3	-77.2	-30.7	0	0	0	112.1	N662 N663 Y669 Q670	N662-N666 VanDerWaalsContact O-CB 3.23Å; N662-N666 WeakPolarHBondContact O-CB 3.19Å; N662-N666 PolarHBondContact O-N 2.93Å; N662-N666 PolarHBondContact O-ND2 3.33Å; N662-N666 VanDerWaalsContact O-ND2 3.15Å; N663-N666 PolarHBondContact O-N 3.03Å; N666-Y669 PolarHBondContact O-N 2.68Å; N666-Q670 WeakPolarHBondContact O-CB 3.47Å; N666-Q670 VanDerWaalsContact O-CG 3.25Å; N666-Q670 WeakPolarHBondContact O-CG 3.35Å; N666-Q670 PolarHBondContact O-N 3.17Å
667	E	48.6	Very low	41.4	Very low	103 Å²	103	94.7 Å²	94.7	48%	0.481	47%	0.473	S	S	.	.	H	α-helix	trans	-61.6	-46.7	171.8	-81.4	-162	168.4	0	0	111.2	N663 L664 Y669 Q670 N671	N663-E667 PolarHBondContact O-N 3.16Å; L664-E667 PolarHBondContact O-N 2.88Å; E667-Y669 VanDerWaalsContact C-N 3.35Å; E667-Y669 PolarHBondContact O-N 3.23Å; E667-Q670 PolarHBondContact O-N 2.67Å; E667-N671 VanDerWaalsContact O-CB 3.28Å; E667-N671 WeakPolarHBondContact O-CB 3.21Å; E667-N671 PolarHBondContact O-N 3.44Å; E667-N671 PolarHBondContact O-ND2 2.67Å
668	M	43.3	Very low	40.8	Very low	48 Å²	48	101.1 Å²	101.1	24%	0.236	50%	0.503	C	S	.	.	H	α-helix	trans	-59.9	-46.7	175.9	-71.4	175.3	70.6	0	0	110.5	V81 L664 L665 Q670 N671 H672	V81-M668 HydrophobicContact CG2-CE 4.03Å; L664-M668 HydrophobicContact CG-SD 4.44Å; L664-M668 WeakPolarHBondContact O-CB 3.19Å; L664-M668 VanDerWaalsContact O-CG 3.3Å; L664-M668 WeakPolarHBondContact O-CG 3.34Å; L664-M668 PolarHBondContact O-N 3.09Å; L665-M668 PolarHBondContact O-N 3.17Å; M668-Q670 PolarHBondContact O-N 3.27Å; M668-N671 PolarHBondContact O-N 2.74Å; M668-H672 PolarHBondContact O-CD2 2.94Å; M668-H672 PolarHBondContact O-N 3.23Å
669	Y	41.5	Very low	40	Very low	106 Å²	106	104.4 Å²	104.4	42%	0.416	52%	0.522	S	S	.	.	H	α-helix	trans	-60.2	-43.3	176.2	-99.9	-77.5	0	0	0	112.7	L665 N666 E667 H672 S673	L665-Y669 WeakPolarHBondContact O-CB 3.41Å; L665-Y669 WeakPolarHBondContact O-CD2 3.41Å; L665-Y669 PolarHBondContact O-N 3.12Å; N666-Y669 PolarHBondContact O-N 2.68Å; E667-Y669 VanDerWaalsContact C-N 3.35Å; E667-Y669 PolarHBondContact O-N 3.23Å; Y669-H672 PolarHBondContact O-N 3.36Å; Y669-S673 WeakPolarHBondContact O-CB 3.26Å; Y669-S673 PolarHBondContact O-N 3.23Å
670	Q	42.3	Very low	39.1	Very low	118 Å²	118	105.2 Å²	105.2	55%	0.551	54%	0.535	S	S	*	.	H	α-helix	trans	-70.6	-42.4	178.8	-70.9	-66.4	-7.3	0	0	112.3	N666 E667 M668 H672 S673 Y674	N666-Q670 WeakPolarHBondContact O-CB 3.47Å; N666-Q670 VanDerWaalsContact O-CG 3.25Å; N666-Q670 WeakPolarHBondContact O-CG 3.35Å; N666-Q670 PolarHBondContact O-N 3.17Å; E667-Q670 PolarHBondContact O-N 2.67Å; M668-Q670 PolarHBondContact O-N 3.27Å; Q670-H672 PolarHBondContact O-N 3.43Å; Q670-S673 PolarHBondContact O-N 3.19Å; Q670-S673 VanDerWaalsContact O-N 3.16Å; Q670-Y674 PolarHBondContact O-N 3.09Å
671	N	40.3	Very low	38.1	Very low	112 Å²	112	111.2 Å²	111.2	60%	0.599	55%	0.55	S	S	*	*	H	α-helix	trans	-64.3	-26.5	176.3	-76.8	-67.4	0	0	0	112.8	E667 M668	E667-N671 VanDerWaalsContact O-CB 3.28Å; E667-N671 WeakPolarHBondContact O-CB 3.21Å; E667-N671 PolarHBondContact O-N 3.44Å; E667-N671 PolarHBondContact O-ND2 2.67Å; M668-N671 PolarHBondContact O-N 2.74Å
672	H	36.9	Very low	37.4	Very low	116 Å²	116	115.5 Å²	115.5	54%	0.537	58%	0.578	S	S	.	*	H	α-helix	trans	-87	-33.5	169.3	-75.8	-70.9	0	0	0	113.5	M668 Y669 Q670 Y674 K675	M668-H672 PolarHBondContact O-CD2 2.94Å; M668-H672 PolarHBondContact O-N 3.23Å; Y669-H672 PolarHBondContact O-N 3.36Å; Q670-H672 PolarHBondContact O-N 3.43Å; H672-Y674 PolarHBondContact O-N 3.4Å; H672-K675 PolarHBondContact O-N 2.87Å
673	S	36	Very low	36.4	Very low	59 Å²	59	119.3 Å²	119.3	41%	0.413	59%	0.594	S	S	.	*	H	α-helix	trans	-62.1	-40.6	178.4	-173.6	0	0	0	0	112	Y669 Q670 K675 H676 S677	Y669-S673 WeakPolarHBondContact O-CB 3.26Å; Y669-S673 PolarHBondContact O-N 3.23Å; Q670-S673 PolarHBondContact O-N 3.19Å; Q670-S673 VanDerWaalsContact O-N 3.16Å; S673-K675 PolarHBondContact O-N 3.18Å; S673-H676 PolarHBondContact O-N 3.28Å; S673-S677 PolarHBondContact O-N 2.95Å
674	Y	33.2	Very low	35.1	Very low	203 Å²	203	124.3 Å²	124.3	80%	0.796	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	2.8	177.4	-113.8	-82.3	0	0	0	115.3	Q670 H672	Q670-Y674 PolarHBondContact O-N 3.09Å; H672-Y674 PolarHBondContact O-N 3.4Å
675	K	34.6	Very low	34.2	Very low	179 Å²	179	126.6 Å²	126.6	78%	0.778	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	-4	170.5	-77	-173	173.2	-179.7	0	115.1	H672 S673	H672-K675 PolarHBondContact O-N 2.87Å; S673-K675 PolarHBondContact O-N 3.18Å
676	H	31.3	Very low	33.4	Very low	170 Å²	170	134.3 Å²	134.3	79%	0.787	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.4	21.8	-172.5	-83.9	-36.8	0	0	0	115.8	S673 E678	S673-H676 PolarHBondContact O-N 3.28Å; H676-E678 PolarHBondContact O-N 3.44Å
677	S	27.2	Very low	32.3	Very low	106 Å²	106	133.2 Å²	133.2	74%	0.741	67%	0.673	S	S	*	*			trans	-79.6	50.3	170.5	69.1	0	0	0	0	113.6	S673	S673-S677 PolarHBondContact O-N 2.95Å
678	E	26.2	Very low	31.2	Very low	167 Å²	167	135.4 Å²	135.4	78%	0.78	69%	0.688	S	S	*	*			trans	-126	128.4	163.7	-84.5	-160.2	150.3	0	0	110.8	H676	H676-E678 PolarHBondContact O-N 3.44Å
679	N	27.4	Very low	30.5	Very low	144 Å²	144	140 Å²	140	77%	0.77	71%	0.714	S	S	*	*			trans	80.7	131.3	163.6	-58.5	-53.8	0	0	0	121.1
680	V	29.9	Very low	29.8	Very low	143 Å²	143	142.2 Å²	142.2	87%	0.867	73%	0.726	S	S	*	*			trans	98.8	140.4	156.6	-166.8	0	0	0	0	118.3
681	K	25	Very low	29.1	Very low	180 Å²	180	143 Å²	143	78%	0.783	73%	0.729	S	S	*	*			trans	-123.3	-172.2	-173.9	-59	176.8	176	178.7	0	110.2
682	T	26.9	Very low	28.4	Very low	121 Å²	121	143.6 Å²	143.6	74%	0.742	73%	0.728	S	S	*	*			trans	68.3	147.7	154.2	44.6	0	0	0	0	118.1
683	E	23.7	Very low	28.2	Very low	159 Å²	159	146.6 Å²	146.6	74%	0.743	74%	0.742	S	S	*	*			cis	-169	-165.8	-26.1	-140.1	169.5	-162	0	0	109.8
684	F	27.1	Very low	27.8	Very low	194 Å²	194	149.1 Å²	149.1	85%	0.851	75%	0.748	S	S	*	*			trans	74.1	159.2	172.1	-64.7	-95.9	0	0	0	119.1
685	S	26.4	Very low	27.5	Very low	87 Å²	87	145.7 Å²	145.7	61%	0.608	75%	0.747	S	S	*	*				176.2	116.4	-52.8	164.1	0	0	0	0	112.3
686	K	25.8	Very low	27.4	Very low	210 Å²	210	142.5 Å²	142.5	91%	0.913	75%	0.748	S	S	*	*			trans	49.7	138.3	142.6	-62	179.3	175.3	176.8	0	122.9
687	G	25.5	Very low	27.2	Very low	72 Å²	72	142.2 Å²	142.2	74%	0.742	74%	0.744	S	S	*	*			trans	-163	132.2	152.8	0	0	0	0	0	111
688	N	24.4	Very low	27.4	Very low	150 Å²	150	142.6 Å²	142.6	80%	0.802	75%	0.747	S	S	*	*			trans	-131.4	155.5	-172.7	-89.7	1.7	0	0	0	112.3
689	N	29.3	Very low	27.6	Very low	143 Å²	143	140.4 Å²	140.4	77%	0.765	74%	0.744	S	S	*	*			trans	169.2	134	135.2	-81.5	-18.3	0	0	0	108.8
690	K	26.5	Very low	27.8	Very low	154 Å²	154	139.7 Å²	139.7	67%	0.67	75%	0.745	S	S	*	*				72.3	137.4	54.9	-71.7	-175	146	-121.4	0	112.8
691	E	27.7	Very low	28.1	Very low	135 Å²	135	139.4 Å²	139.4	63%	0.631	74%	0.739	S	S	*	*			cis	-166	167.8	-3.1	-118.4	158.4	179.2	0	0	109.9
692	E	26	Very low	28.7	Very low	123 Å²	123	138 Å²	138	58%	0.575	74%	0.74	S	S	*	*			cis	-125.8	-111.6	-6.1	-168	-165.9	-127.4	0	0	111
693	H	32.3	Very low	29.6	Very low	180 Å²	180	136.2 Å²	136.2	83%	0.833	73%	0.726	S	S	*	*			cis	-140.4	-169.8	0.7	-108.3	-33.1	0	0	0	111.1
694	E	27.5	Very low	30.7	Very low	112 Å²	112	134.5 Å²	134.5	52%	0.523	72%	0.721	S	S	.	*			trans	-127.7	-162.9	-143	-137.7	-162.2	166.4	0	0	117.9	K697	E694-K697 WeakPolarHBondContact OE1-CE 3.11Å; E694-K697 IonicContact OE1-NZ 2.63Å; E694-K697 PolarHBondContact OE1-NZ 3.44Å
695	V	27.7	Very low	32	Very low	130 Å²	130	129.6 Å²	129.6	79%	0.788	70%	0.704	S	S	*	*			trans	87.5	110.7	178.9	-172.8	0	0	0	0	114.8
696	S	32	Very low	33.3	Very low	113 Å²	113	131.5 Å²	131.5	79%	0.79	70%	0.703	S	S	*	*			cis	-136.5	148.4	4.2	-75.5	0	0	0	0	112.5
697	K	27.6	Very low	34.4	Very low	164 Å²	164	126.3 Å²	126.3	71%	0.713	68%	0.684	S	S	*	*			trans	-76.5	129.9	174.7	-72.1	153.5	169.3	147.8	0	112.2	E694	E694-K697 WeakPolarHBondContact OE1-CE 3.11Å; E694-K697 IonicContact OE1-NZ 2.63Å; E694-K697 PolarHBondContact OE1-NZ 3.44Å
698	S	30.5	Very low	35.6	Very low	114 Å²	114	131.3 Å²	131.3	80%	0.797	68%	0.681	S	S	*	*			trans	-111	111.9	149.9	57.8	0	0	0	0	107.8	V700	S698-V700 PolarHBondContact O-N 3.47Å
699	V	29.9	Very low	37.1	Very low	120 Å²	120	131.6 Å²	131.6	73%	0.727	68%	0.677	S	S	*	*			trans	-78	107	-175.4	-179.6	0	0	0	0	109.9	N701	V699-N701 HydrophobicContact CG1-CB 4.47Å
700	V	31.6	Very low	38.1	Very low	129 Å²	129	128.6 Å²	128.6	78%	0.782	67%	0.668	S	S	*	*			trans	-102.7	118.4	148.1	179.6	0	0	0	0	105.1	S698 N702	S698-V700 PolarHBondContact O-N 3.47Å; V700-N702 PolarHBondContact O-N 3.13Å
701	N	36.6	Very low	38.8	Very low	137 Å²	137	125.6 Å²	125.6	73%	0.733	66%	0.659	S	S	*	*			trans	-76.8	127.1	-172.9	-157.2	35.9	0	0	0	109.7	V699 D703	V699-N701 HydrophobicContact CG1-CB 4.47Å; N701-D703 PolarHBondContact O-N 3.42Å
702	N	38.2	Very low	39.6	Very low	150 Å²	150	128.1 Å²	128.1	80%	0.802	67%	0.671	S	S	*	*			trans	-78.1	107.6	176.8	-74.1	-31.7	0	0	0	109.4	V700	V700-N702 PolarHBondContact O-N 3.13Å
703	D	45.1	Very low	40.3	Very low	85 Å²	85	129.4 Å²	129.4	46%	0.455	68%	0.681	S	S	.	*			trans	-150.9	95.2	157.4	-148.1	-31.6	0	0	0	111.7	N701 D705 H706	N701-D703 PolarHBondContact O-N 3.42Å; D703-D705 VanDerWaalsContact C-N 3.3Å; D703-D705 PolarHBondContact OD1-N 2.65Å; D703-H706 HydrophobicContact CB-CB 4.11Å; D703-H706 PolarHBondContact OD1-N 3.04Å
704	L	47.5	Very low	40.5	Very low	122 Å²	122	124 Å²	124	64%	0.639	68%	0.675	S	S	*	*	H	α-helix	trans	-74.5	-22.8	177	-94.8	163.5	0	0	0	112.1	L707 R708	L704-L707 PolarHBondContact O-N 3.36Å; L704-R708 PolarHBondContact O-N 2.75Å
705	D	53.1	Low	40.9	Very low	91 Å²	91	127.9 Å²	127.9	49%	0.487	69%	0.69	S	S	.	*	H	α-helix	trans	-76.9	-28.8	178.3	-69.8	-46.9	0	0	0	110.9	D703 L707 R708 E709	D703-D705 VanDerWaalsContact C-N 3.3Å; D703-D705 PolarHBondContact OD1-N 2.65Å; D705-L707 VanDerWaalsContact C-N 3.26Å; D705-L707 PolarHBondContact O-N 3.17Å; D705-R708 CarbonylContact O-C 3.56Å; D705-R708 WeakPolarHBondContact O-CA 3.36Å; D705-R708 WeakPolarHBondContact O-CB 3.37Å; D705-R708 PolarHBondContact O-N 2.74Å; D705-R708 VanDerWaalsContact OD1-CD 3.26Å; D705-R708 WeakPolarHBondContact OD1-CD 3.42Å; D705-R708 IonicContact OD1-NH1 2.75Å; D705-E709 PolarHBondContact O-N 3.09Å
706	H	55.6	Low	41.4	Very low	128 Å²	128	127 Å²	127	59%	0.593	68%	0.676	S	S	*	*	H	α-helix	trans	-60.8	-32.7	169.6	-124	-37.3	0	0	0	113.4	D703 S710	D703-H706 HydrophobicContact CB-CB 4.11Å; D703-H706 PolarHBondContact OD1-N 3.04Å; H706-S710 PolarHBondContact O-N 3.25Å
707	L	47.9	Very low	41.9	Very low	100 Å²	100	125.1 Å²	125.1	52%	0.524	66%	0.662	S	S	.	*	H	α-helix	trans	-78.3	-19	172.5	-80.1	168.2	0	0	0	113.2	L704 D705 F716	L704-L707 PolarHBondContact O-N 3.36Å; D705-L707 VanDerWaalsContact C-N 3.26Å; D705-L707 PolarHBondContact O-N 3.17Å; L707-F716 WeakPolarHBondContact O-CZ 3.45Å
708	R	50.1	Low	42.6	Very low	177 Å²	177	122.5 Å²	122.5	67%	0.668	66%	0.66	S	S	*	*	H	α-helix	trans	-82.1	-41.3	172.1	-72.1	171.9	137.7	-158.7	-7.2	111.6	L704 D705 S710	L704-R708 PolarHBondContact O-N 2.75Å; D705-R708 CarbonylContact O-C 3.56Å; D705-R708 WeakPolarHBondContact O-CA 3.36Å; D705-R708 WeakPolarHBondContact O-CB 3.37Å; D705-R708 PolarHBondContact O-N 2.74Å; D705-R708 VanDerWaalsContact OD1-CD 3.26Å; D705-R708 WeakPolarHBondContact OD1-CD 3.42Å; D705-R708 IonicContact OD1-NH1 2.75Å; R708-S710 VanDerWaalsContact C-N 3.33Å; R708-S710 PolarHBondContact O-N 2.87Å
709	E	56.2	Low	43.2	Very low	157 Å²	157	122.2 Å²	122.2	73%	0.734	65%	0.649	S	S	*	*	H	α-helix	trans	-71.7	-25.3	180	-68.8	-169.7	156.9	0	0	113.2	D705 N711	D705-E709 PolarHBondContact O-N 3.09Å; E709-N711 VanDerWaalsContact C-N 3.32Å; E709-N711 PolarHBondContact O-N 3.4Å
710	S	51.3	Low	44.1	Very low	80 Å²	80	119.5 Å²	119.5	56%	0.559	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-6.6	-179.8	76.5	0	0	0	0	115.3	H706 R708	H706-S710 PolarHBondContact O-N 3.25Å; R708-S710 VanDerWaalsContact C-N 3.33Å; R708-S710 PolarHBondContact O-N 2.87Å
711	N	41.6	Very low	44.8	Very low	90 Å²	90	117 Å²	117	48%	0.481	62%	0.618	S	S	.	*			trans	-125.2	99.6	-177.8	-92.1	-7.6	0	0	0	110.8	E709 D713 F716	E709-N711 VanDerWaalsContact C-N 3.32Å; E709-N711 PolarHBondContact O-N 3.4Å; N711-D713 VanDerWaalsContact C-N 3.27Å; N711-D713 PolarHBondContact O-N 3.43Å; N711-F716 HydrophobicContact CB-CE2 4.39Å
712	Q	42.6	Very low	45.5	Very low	189 Å²	189	114.7 Å²	114.7	88%	0.883	61%	0.605	S	S	*	*			trans	-72.7	-19.5	176.2	-67.1	-174.3	-18.3	0	0	113	G714	Q712-G714 PolarHBondContact O-N 2.92Å
713	D	42.4	Very low	46.1	Very low	149 Å²	149	114.3 Å²	114.3	80%	0.797	59%	0.593	S	S	*	*	S	Bend	trans	-97.3	48.1	-175	-66	-53.1	0	0	0	115	N711 F715	N711-D713 VanDerWaalsContact C-N 3.27Å; N711-D713 PolarHBondContact O-N 3.43Å; D713-F715 VanDerWaalsContact C-N 3.33Å; D713-F715 PolarHBondContact O-N 3.3Å
714	G	35.8	Very low	46.3	Very low	68 Å²	68	114.9 Å²	114.9	70%	0.701	60%	0.595	S	S	*	*			trans	67.1	-9.5	138	0	0	0	0	0	122.1	Q712	Q712-G714 PolarHBondContact O-N 2.92Å
715	F	36.6	Very low	46.8	Very low	193 Å²	193	112.9 Å²	112.9	85%	0.846	59%	0.585	S	S	*	*			trans	-129	119.4	-173.7	-69.7	-81.8	0	0	0	114.8	D713	D713-F715 VanDerWaalsContact C-N 3.33Å; D713-F715 PolarHBondContact O-N 3.3Å
716	F	37.7	Very low	47.2	Very low	112 Å²	112	115.7 Å²	115.7	49%	0.491	59%	0.589	S	S	.	*			trans	-120.2	130.7	161.5	-81.3	-89.4	0	0	0	109.1	L707 N711	L707-F716 WeakPolarHBondContact O-CZ 3.45Å; N711-F716 HydrophobicContact CB-CE2 4.39Å
717	C	43.1	Very low	47.2	Very low	73 Å²	73	113.4 Å²	113.4	49%	0.493	58%	0.579	S	S	.	*			trans	-76	127.1	170	-167.8	0	0	0	0	109.8	D719 S720	C717-D719 PolarHBondContact O-N 3.36Å; C717-S720 WeakPolarHBondContact O-CB 3.41Å; C717-S720 PolarHBondContact O-N 3.39Å
718	T	42.1	Very low	47.6	Very low	109 Å²	109	114.6 Å²	114.6	67%	0.669	58%	0.583	S	S	*	*	H	α-helix	trans	-60.7	-32.1	-178.5	41.3	0	0	0	0	113	S720 I721 D722	T718-S720 PolarHBondContact O-N 3.1Å; T718-I721 PolarHBondContact O-N 2.94Å; T718-D722 PolarHBondContact O-N 2.92Å
719	D	42.3	Very low	48.3	Very low	107 Å²	107	112.8 Å²	112.8	57%	0.572	58%	0.582	S	S	*	*	H	α-helix	trans	-57.6	-32.8	178.3	-67.4	-37.6	0	0	0	112.7	C717 I721 Y723	C717-D719 PolarHBondContact O-N 3.36Å; D719-I721 PolarHBondContact O-N 3.47Å; D719-Y723 WeakPolarHBondContact O-CB 3.09Å; D719-Y723 PolarHBondContact O-N 3.05Å
720	S	48.4	Very low	48.5	Very low	64 Å²	64	106.7 Å²	106.7	45%	0.448	56%	0.559	S	S	.	*	H	α-helix	trans	-65.3	-37.4	-179.5	-58.4	0	0	0	0	112.7	C717 T718 I724	C717-S720 WeakPolarHBondContact O-CB 3.41Å; C717-S720 PolarHBondContact O-N 3.39Å; T718-S720 PolarHBondContact O-N 3.1Å; S720-I724 WeakPolarHBondContact O-CD1 3.44Å; S720-I724 VanDerWaalsContact O-CG1 3.3Å; S720-I724 WeakPolarHBondContact O-CG1 3.37Å; S720-I724 PolarHBondContact O-N 2.65Å; S720-I724 VanDerWaalsContact O-N 3.13Å
721	I	46.1	Very low	48.7	Very low	77 Å²	77	105.3 Å²	105.3	40%	0.395	55%	0.552	S	S	.	*	H	α-helix	trans	-75.6	-46.7	-178.3	-63.1	177.1	0	0	0	109.9	T718 D719 Y723 I724 N725	T718-I721 PolarHBondContact O-N 2.94Å; D719-I721 PolarHBondContact O-N 3.47Å; I721-Y723 PolarHBondContact O-N 3.14Å; I721-I724 PolarHBondContact O-N 2.96Å; I721-N725 PolarHBondContact O-N 3.34Å; I721-N725 PolarHBondContact O-ND2 3.44Å
722	D	52	Low	49.7	Very low	88 Å²	88	103.5 Å²	103.5	47%	0.471	55%	0.546	S	S	.	.	H	α-helix	trans	-66.9	-25.7	175.7	-83.2	-2.5	0	0	0	112.9	T718 R726	T718-D722 PolarHBondContact O-N 2.92Å; D722-R726 VanDerWaalsContact CB-NH2 3.35Å; D722-R726 VanDerWaalsContact O-CB 3.3Å; D722-R726 WeakPolarHBondContact O-CB 3.33Å; D722-R726 VanDerWaalsContact O-CG 3.24Å; D722-R726 WeakPolarHBondContact O-CG 3.49Å; D722-R726 PolarHBondContact O-N 2.91Å; D722-R726 VanDerWaalsContact O-N 3.1Å; D722-R726 PolarHBondContact O-NE 2.94Å
723	Y	50.8	Low	50.7	Low	142 Å²	142	99.7 Å²	99.7	56%	0.557	53%	0.529	S	S	*	.	H	α-helix	trans	-68.5	-47.2	171.2	179	-103.5	0	0	0	111.4	D719 I721 R726 Q727	D719-Y723 WeakPolarHBondContact O-CB 3.09Å; D719-Y723 PolarHBondContact O-N 3.05Å; I721-Y723 PolarHBondContact O-N 3.14Å; Y723-R726 PolarHBondContact O-N 3.44Å; Y723-Q727 HydrophobicContact CD1-CG 4.45Å; Y723-Q727 HydrophobicContact CE1-CG 4.09Å; Y723-Q727 HydrophobicContact CE2-CG 4.25Å; Y723-Q727 WeakPolarHBondContact O-CG 3.46Å; Y723-Q727 PolarHBondContact O-N 2.9Å; Y723-Q727 PolarHBondContact OH-NE2 3.33Å; Y723-Q727 VanDerWaalsContact OH-NE2 3.09Å
724	I	49.1	Very low	51.4	Low	97 Å²	97	100.3 Å²	100.3	50%	0.497	52%	0.52	S	S	.	.	H	α-helix	trans	-61.6	-46.9	177	-69.8	165.8	0	0	0	110.7	S720 I721 R726 Q727 M728	S720-I724 WeakPolarHBondContact O-CD1 3.44Å; S720-I724 VanDerWaalsContact O-CG1 3.3Å; S720-I724 WeakPolarHBondContact O-CG1 3.37Å; S720-I724 PolarHBondContact O-N 2.65Å; S720-I724 VanDerWaalsContact O-N 3.13Å; I721-I724 PolarHBondContact O-N 2.96Å; I724-R726 PolarHBondContact O-N 3.16Å; I724-Q727 PolarHBondContact O-N 3.31Å; I724-Q727 VanDerWaalsContact O-N 3.16Å; I724-M728 HydrophobicContact CG2-SD 4.03Å; I724-M728 WeakPolarHBondContact O-CG 3.44Å; I724-M728 PolarHBondContact O-N 3.01Å
725	N	59.2	Low	52.7	Low	80 Å²	80	104 Å²	104	43%	0.428	52%	0.519	S	S	.	.	H	α-helix	trans	-56.7	-47.2	175.8	-73.3	-26.8	0	0	0	111.8	I721 Q727 M728 E729	I721-N725 PolarHBondContact O-N 3.34Å; I721-N725 PolarHBondContact O-ND2 3.44Å; N725-Q727 VanDerWaalsContact C-N 3.34Å; N725-Q727 PolarHBondContact O-N 2.85Å; N725-M728 PolarHBondContact O-N 2.99Å; N725-E729 PolarHBondContact O-N 3.28Å
726	R	60.2	Low	54.3	Low	150 Å²	150	100 Å²	100	57%	0.566	50%	0.501	S	S	*	.	H	α-helix	trans	-64.2	-34.1	177.4	-78.4	178.6	-88.1	-171.9	-7.9	113.2	D722 Y723 I724 A730	D722-R726 VanDerWaalsContact CB-NH2 3.35Å; D722-R726 VanDerWaalsContact O-CB 3.3Å; D722-R726 WeakPolarHBondContact O-CB 3.33Å; D722-R726 VanDerWaalsContact O-CG 3.24Å; D722-R726 WeakPolarHBondContact O-CG 3.49Å; D722-R726 PolarHBondContact O-N 2.91Å; D722-R726 VanDerWaalsContact O-N 3.1Å; D722-R726 PolarHBondContact O-NE 2.94Å; Y723-R726 PolarHBondContact O-N 3.44Å; I724-R726 PolarHBondContact O-N 3.16Å; R726-A730 VanDerWaalsContact O-CB 3.26Å; R726-A730 WeakPolarHBondContact O-CB 3.36Å; R726-A730 PolarHBondContact O-N 2.93Å
727	Q	56.9	Low	55.6	Low	80 Å²	80	97 Å²	97	37%	0.374	50%	0.497	S	S	.	.	H	α-helix	trans	-71.7	-35.1	173.6	-67.5	-68.1	1.6	0	0	112.2	Y723 I724 N725 A730 A731	Y723-Q727 HydrophobicContact CD1-CG 4.45Å; Y723-Q727 HydrophobicContact CE1-CG 4.09Å; Y723-Q727 HydrophobicContact CE2-CG 4.25Å; Y723-Q727 WeakPolarHBondContact O-CG 3.46Å; Y723-Q727 PolarHBondContact O-N 2.9Å; Y723-Q727 PolarHBondContact OH-NE2 3.33Å; Y723-Q727 VanDerWaalsContact OH-NE2 3.09Å; I724-Q727 PolarHBondContact O-N 3.31Å; I724-Q727 VanDerWaalsContact O-N 3.16Å; N725-Q727 VanDerWaalsContact C-N 3.34Å; N725-Q727 PolarHBondContact O-N 2.85Å; Q727-A730 PolarHBondContact O-N 3.2Å; Q727-A731 WeakPolarHBondContact O-CB 3.34Å; Q727-A731 PolarHBondContact O-N 2.87Å
728	M	55.5	Low	56.4	Low	124 Å²	124	96.1 Å²	96.1	61%	0.611	49%	0.491	S	S	*	.	H	α-helix	trans	-67.3	-44.4	175	-73.4	176.2	60.7	0	0	112.4	I724 N725 A731 S732	I724-M728 HydrophobicContact CG2-SD 4.03Å; I724-M728 WeakPolarHBondContact O-CG 3.44Å; I724-M728 PolarHBondContact O-N 3.01Å; N725-M728 PolarHBondContact O-N 2.99Å; M728-A731 PolarHBondContact O-N 3.34Å; M728-S732 PolarHBondContact O-N 3.31Å
729	E	64.5	Low	57.6	Low	139 Å²	139	98 Å²	98	65%	0.65	49%	0.49	S	S	*	.	H	α-helix	trans	-61.3	-45.6	172.1	-73.1	-165.1	127.4	0	0	111.4	N725 A731 S732 E733	N725-E729 PolarHBondContact O-N 3.28Å; E729-A731 VanDerWaalsContact C-N 3.27Å; E729-A731 PolarHBondContact O-N 3.49Å; E729-S732 WeakPolarHBondContact O-CB 3.23Å; E729-S732 PolarHBondContact O-N 3.09Å; E729-S732 VanDerWaalsContact O-N 3.14Å; E729-E733 WeakPolarHBondContact O-CG 3.45Å; E729-E733 PolarHBondContact O-N 2.86Å
730	A	60.4	Low	58.8	Low	29 Å²	29	97.5 Å²	97.5	24%	0.24	49%	0.487	C	S	.	.	H	α-helix	trans	-61.1	-34.2	177	0	0	0	0	0	112.8	R726 Q727 R734	R726-A730 VanDerWaalsContact O-CB 3.26Å; R726-A730 WeakPolarHBondContact O-CB 3.36Å; R726-A730 PolarHBondContact O-N 2.93Å; Q727-A730 PolarHBondContact O-N 3.2Å; A730-R734 WeakPolarHBondContact O-CB 3.36Å; A730-R734 WeakPolarHBondContact O-CD 3.33Å; A730-R734 WeakPolarHBondContact O-CG 3.39Å; A730-R734 PolarHBondContact O-N 2.94Å; A730-R734 VanDerWaalsContact O-N 3.1Å
731	A	55.2	Low	59.6	Low	51 Å²	51	102.1 Å²	102.1	42%	0.421	50%	0.499	S	S	.	.	H	α-helix	trans	-67.3	-45.1	172.8	0	0	0	0	0	111.9	Q727 M728 E729 R734 Q735	Q727-A731 WeakPolarHBondContact O-CB 3.34Å; Q727-A731 PolarHBondContact O-N 2.87Å; M728-A731 PolarHBondContact O-N 3.34Å; E729-A731 VanDerWaalsContact C-N 3.27Å; E729-A731 PolarHBondContact O-N 3.49Å; A731-R734 PolarHBondContact O-N 3.31Å; A731-Q735 WeakPolarHBondContact O-CB 3.44Å; A731-Q735 PolarHBondContact O-N 3.08Å
732	S	63	Low	60.5	Low	52 Å²	52	107.4 Å²	107.4	36%	0.364	51%	0.514	S	S	.	.	H	α-helix	trans	-61	-46.6	176.9	-174.1	0	0	0	0	112.1	M728 E729 R734 Q735 K736	M728-S732 PolarHBondContact O-N 3.31Å; E729-S732 WeakPolarHBondContact O-CB 3.23Å; E729-S732 PolarHBondContact O-N 3.09Å; E729-S732 VanDerWaalsContact O-N 3.14Å; S732-R734 PolarHBondContact O-N 3.08Å; S732-Q735 WeakPolarHBondContact O-CB 3.18Å; S732-Q735 PolarHBondContact O-N 3.14Å; S732-Q735 VanDerWaalsContact O-N 3.15Å; S732-K736 WeakPolarHBondContact O-CG 3.37Å; S732-K736 PolarHBondContact O-N 3.38Å
733	E	62.5	Low	61.4	Low	110 Å²	110	108.9 Å²	108.9	51%	0.514	52%	0.516	S	S	.	.	H	α-helix	trans	-58.6	-46.4	174.6	-75.9	-67.6	101.8	0	0	112.3	E729 Q735 K736 A737	E729-E733 WeakPolarHBondContact O-CG 3.45Å; E729-E733 PolarHBondContact O-N 2.86Å; E733-Q735 VanDerWaalsContact C-N 3.28Å; E733-Q735 PolarHBondContact O-N 3.24Å; E733-K736 PolarHBondContact O-N 3.12Å; E733-K736 IonicContact OE1-NZ 2.81Å; E733-K736 PolarHBondContact OE1-NZ 2.92Å; E733-A737 WeakPolarHBondContact O-CB 3.47Å; E733-A737 PolarHBondContact O-N 3.48Å
734	R	58.9	Low	62.4	Low	161 Å²	161	106.7 Å²	106.7	61%	0.608	51%	0.514	S	S	*	.	H	α-helix	trans	-60.3	-38.1	175.2	-71.7	163.8	-167.2	164.6	6.4	111.7	A730 A731 S732 S738	A730-R734 WeakPolarHBondContact O-CB 3.36Å; A730-R734 WeakPolarHBondContact O-CD 3.33Å; A730-R734 WeakPolarHBondContact O-CG 3.39Å; A730-R734 PolarHBondContact O-N 2.94Å; A730-R734 VanDerWaalsContact O-N 3.1Å; A731-R734 PolarHBondContact O-N 3.31Å; S732-R734 PolarHBondContact O-N 3.08Å; R734-S738 VanDerWaalsContact O-CB 3.26Å; R734-S738 WeakPolarHBondContact O-CB 3.44Å; R734-S738 PolarHBondContact O-N 2.83Å
735	Q	61.5	Low	63.1	Low	147 Å²	147	107.5 Å²	107.5	69%	0.687	52%	0.519	S	S	*	.	H	α-helix	trans	-69	-44.4	178.7	-167.1	172.9	3.4	0	0	112	A731 S732 E733 S738 F739	A731-Q735 WeakPolarHBondContact O-CB 3.44Å; A731-Q735 PolarHBondContact O-N 3.08Å; S732-Q735 WeakPolarHBondContact O-CB 3.18Å; S732-Q735 PolarHBondContact O-N 3.14Å; S732-Q735 VanDerWaalsContact O-N 3.15Å; E733-Q735 VanDerWaalsContact C-N 3.28Å; E733-Q735 PolarHBondContact O-N 3.24Å; Q735-S738 WeakPolarHBondContact O-CB 3.26Å; Q735-S738 PolarHBondContact O-N 3.33Å; Q735-F739 PolarHBondContact O-N 2.99Å
736	K	70.7	Confident	63.7	Low	109 Å²	109	110.9 Å²	110.9	47%	0.474	53%	0.53	S	S	.	.	H	α-helix	trans	-58.8	-48.8	172.7	-64.9	171.9	-158.5	163.5	0	111.5	S732 E733 S738 F739 I740	S732-K736 WeakPolarHBondContact O-CG 3.37Å; S732-K736 PolarHBondContact O-N 3.38Å; E733-K736 PolarHBondContact O-N 3.12Å; E733-K736 IonicContact OE1-NZ 2.81Å; E733-K736 PolarHBondContact OE1-NZ 2.92Å; K736-S738 VanDerWaalsContact C-N 3.31Å; K736-S738 PolarHBondContact O-N 3.38Å; K736-F739 PolarHBondContact O-N 2.94Å; K736-I740 WeakPolarHBondContact O-CG1 3.4Å; K736-I740 PolarHBondContact O-N 3.18Å
737	A	64.7	Low	64.4	Low	49 Å²	49	107.1 Å²	107.1	41%	0.405	52%	0.521	S	S	.	.	H	α-helix	trans	-63.2	-36.5	179.1	0	0	0	0	0	112.5	E733 K741	E733-A737 WeakPolarHBondContact O-CB 3.47Å; E733-A737 PolarHBondContact O-N 3.48Å; A737-K741 WeakPolarHBondContact O-CB 3.49Å; A737-K741 WeakPolarHBondContact O-CG 3.3Å; A737-K741 PolarHBondContact O-N 3.49Å
738	S	60.7	Low	65	Low	53 Å²	53	105.5 Å²	105.5	37%	0.371	52%	0.521	S	S	.	.	H	α-helix	trans	-64.1	-43.2	172.9	-174	0	0	0	0	111.9	R734 Q735 K736 K741 R742	R734-S738 VanDerWaalsContact O-CB 3.26Å; R734-S738 WeakPolarHBondContact O-CB 3.44Å; R734-S738 PolarHBondContact O-N 2.83Å; Q735-S738 WeakPolarHBondContact O-CB 3.26Å; Q735-S738 PolarHBondContact O-N 3.33Å; K736-S738 VanDerWaalsContact C-N 3.31Å; K736-S738 PolarHBondContact O-N 3.38Å; S738-K741 PolarHBondContact O-N 2.89Å; S738-R742 WeakPolarHBondContact O-CG 3.36Å; S738-R742 PolarHBondContact O-N 2.91Å
739	F	66.7	Low	65.7	Low	148 Å²	148	104.5 Å²	104.5	65%	0.649	52%	0.517	S	S	*	.	H	α-helix	trans	-63.3	-46.2	176.7	-174.3	-95.6	0	0	0	112.3	Q735 K736 K741 R742 K743	Q735-F739 PolarHBondContact O-N 2.99Å; K736-F739 PolarHBondContact O-N 2.94Å; F739-K741 PolarHBondContact O-N 3.47Å; F739-R742 PolarHBondContact O-N 3.06Å; F739-K743 PolarHBondContact O-N 2.92Å
740	I	68	Low	66.3	Low	97 Å²	97	102.8 Å²	102.8	50%	0.497	51%	0.509	S	S	.	.	H	α-helix	trans	-61.9	-43.3	177	-65.3	168.5	0	0	0	110.8	K736 R742 K743 N744	K736-I740 WeakPolarHBondContact O-CG1 3.4Å; K736-I740 PolarHBondContact O-N 3.18Å; I740-R742 PolarHBondContact O-N 2.92Å; I740-K743 PolarHBondContact O-N 3.33Å; I740-N744 PolarHBondContact O-N 3.43Å; I740-N744 PolarHBondContact O-OD1 3.26Å
741	K	64.9	Low	67	Low	161 Å²	161	107.9 Å²	107.9	70%	0.7	53%	0.528	S	S	*	.	H	α-helix	trans	-60.6	-41.3	174.3	-78.1	-178.8	176.6	-177.9	0	112.6	A737 S738 F739 L745	A737-K741 WeakPolarHBondContact O-CB 3.49Å; A737-K741 WeakPolarHBondContact O-CG 3.3Å; A737-K741 PolarHBondContact O-N 3.49Å; S738-K741 PolarHBondContact O-N 2.89Å; F739-K741 PolarHBondContact O-N 3.47Å; K741-L745 VanDerWaalsContact O-CB 3.3Å; K741-L745 WeakPolarHBondContact O-CB 3.26Å; K741-L745 PolarHBondContact O-N 3.43Å
742	R	64.6	Low	67.9	Low	188 Å²	188	113.1 Å²	113.1	71%	0.709	54%	0.542	S	S	*	.	H	α-helix	trans	-64.1	-40.3	175.2	-74.2	175.8	179.8	-168.7	-0.8	112.2	S738 F739 I740 K746	S738-R742 WeakPolarHBondContact O-CG 3.36Å; S738-R742 PolarHBondContact O-N 2.91Å; F739-R742 PolarHBondContact O-N 3.06Å; I740-R742 PolarHBondContact O-N 2.92Å; R742-K746 PolarHBondContact O-N 3.15Å; R742-K746 VanDerWaalsContact O-N 3.09Å
743	K	72.4	Confident	68.6	Low	119 Å²	119	114.7 Å²	114.7	52%	0.517	54%	0.543	S	S	.	.	H	α-helix	trans	-63.5	-55.3	175.7	-173.3	-177.9	174.7	-173.9	0	111.2	F739 I740 L745 K746 D747	F739-K743 PolarHBondContact O-N 2.92Å; I740-K743 PolarHBondContact O-N 3.33Å; K743-L745 PolarHBondContact O-N 2.86Å; K743-K746 WeakPolarHBondContact O-CA 3.17Å; K743-K746 WeakPolarHBondContact O-CB 3.14Å; K743-K746 PolarHBondContact O-N 3.31Å; K743-D747 WeakPolarHBondContact CE-OD2 3.14Å; K743-D747 PolarHBondContact O-N 2.86Å
744	N	71.6	Confident	69.6	Low	96 Å²	96	113.6 Å²	113.6	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-59.7	-33.8	-178.6	-65.5	11.6	0	0	0	112.1	I740 A748	I740-N744 PolarHBondContact O-N 3.43Å; I740-N744 PolarHBondContact O-OD1 3.26Å; N744-A748 VanDerWaalsContact O-CB 3.31Å; N744-A748 WeakPolarHBondContact O-CB 3.25Å; N744-A748 PolarHBondContact O-N 3.33Å
745	L	62.5	Low	70.6	Confident	114 Å²	114	111.1 Å²	111.1	60%	0.597	54%	0.536	S	S	*	.	H	α-helix	trans	-67.1	-41.7	173.6	-172.5	68.9	0	0	0	112.1	K741 K743 A748 I749	K741-L745 VanDerWaalsContact O-CB 3.3Å; K741-L745 WeakPolarHBondContact O-CB 3.26Å; K741-L745 PolarHBondContact O-N 3.43Å; K743-L745 PolarHBondContact O-N 2.86Å; L745-A748 PolarHBondContact O-N 2.55Å; L745-I749 HydrophobicContact CG-CD1 4.15Å; L745-I749 WeakPolarHBondContact O-CD1 3.17Å; L745-I749 VanDerWaalsContact O-CG1 3.27Å; L745-I749 WeakPolarHBondContact O-CG1 3.47Å; L745-I749 PolarHBondContact O-N 3.28Å
746	K	72.3	Confident	71.5	Confident	151 Å²	151	108.6 Å²	108.6	66%	0.657	52%	0.523	S	S	*	.	H	α-helix	trans	-63.5	-45.3	175.3	-173	-179.2	178.4	-176.5	0	111.3	R742 K743 A748 I749 Q750	R742-K746 PolarHBondContact O-N 3.15Å; R742-K746 VanDerWaalsContact O-N 3.09Å; K743-K746 WeakPolarHBondContact O-CA 3.17Å; K743-K746 WeakPolarHBondContact O-CB 3.14Å; K743-K746 PolarHBondContact O-N 3.31Å; K746-A748 VanDerWaalsContact C-N 3.31Å; K746-A748 PolarHBondContact O-N 2.94Å; K746-I749 PolarHBondContact O-N 2.86Å; K746-Q750 PolarHBondContact O-N 2.66Å
747	D	74.6	Confident	72.1	Confident	71 Å²	71	107.1 Å²	107.1	38%	0.38	52%	0.52	S	S	.	.	H	α-helix	trans	-64.1	-37.3	179.8	-60.7	-14.3	0	0	0	110.9	K743 Q750 Q751	K743-D747 WeakPolarHBondContact CE-OD2 3.14Å; K743-D747 PolarHBondContact O-N 2.86Å; D747-Q750 PolarHBondContact O-N 3.11Å; D747-Q751 WeakPolarHBondContact O-CG 3.44Å; D747-Q751 PolarHBondContact O-N 2.83Å
748	A	69.7	Low	73.1	Confident	46 Å²	46	111.1 Å²	111.1	38%	0.38	53%	0.529	S	S	.	.	H	α-helix	trans	-71.4	-30.7	173.9	0	0	0	0	0	114.1	N744 L745 K746 K752	N744-A748 VanDerWaalsContact O-CB 3.31Å; N744-A748 WeakPolarHBondContact O-CB 3.25Å; N744-A748 PolarHBondContact O-N 3.33Å; L745-A748 PolarHBondContact O-N 2.55Å; K746-A748 VanDerWaalsContact C-N 3.31Å; K746-A748 PolarHBondContact O-N 2.94Å; A748-K752 WeakPolarHBondContact O-CG 3.49Å; A748-K752 PolarHBondContact O-N 3.19Å
749	I	70	Confident	73.8	Confident	104 Å²	104	112.9 Å²	112.9	53%	0.533	53%	0.533	S	S	.	.	H	α-helix	trans	-69.2	-43.4	171.8	-72	163.9	0	0	0	110	L745 K746 Q751 K752 Q753	L745-I749 HydrophobicContact CG-CD1 4.15Å; L745-I749 WeakPolarHBondContact O-CD1 3.17Å; L745-I749 VanDerWaalsContact O-CG1 3.27Å; L745-I749 WeakPolarHBondContact O-CG1 3.47Å; L745-I749 PolarHBondContact O-N 3.28Å; K746-I749 PolarHBondContact O-N 2.86Å; I749-Q751 PolarHBondContact O-N 2.97Å; I749-K752 PolarHBondContact O-N 3.23Å; I749-K752 VanDerWaalsContact O-N 3.17Å; I749-Q753 PolarHBondContact O-N 2.91Å
750	Q	77.4	Confident	74.5	Confident	102 Å²	102	110.4 Å²	110.4	48%	0.477	52%	0.524	S	S	.	.	H	α-helix	trans	-58.1	-48.8	176.3	-178.9	61.3	34.8	0	0	111.6	K746 D747 K752 Q753 E754	K746-Q750 PolarHBondContact O-N 2.66Å; D747-Q750 PolarHBondContact O-N 3.11Å; Q750-K752 VanDerWaalsContact C-N 3.28Å; Q750-K752 PolarHBondContact O-N 3.01Å; Q750-Q753 PolarHBondContact O-N 3.17Å; Q750-Q753 VanDerWaalsContact O-N 3.13Å; Q750-E754 WeakPolarHBondContact CG-OE1 3.4Å; Q750-E754 PolarHBondContact NE2-OE1 3.2Å; Q750-E754 WeakPolarHBondContact O-CG 3.47Å; Q750-E754 PolarHBondContact O-N 3.39Å
751	Q	76.1	Confident	75.4	Confident	137 Å²	137	112.2 Å²	112.2	64%	0.64	53%	0.528	S	S	*	.	H	α-helix	trans	-61.4	-33.3	176.1	-73	178.4	-0.3	0	0	113.5	D747 I749 L755	D747-Q751 WeakPolarHBondContact O-CG 3.44Å; D747-Q751 PolarHBondContact O-N 2.83Å; I749-Q751 PolarHBondContact O-N 2.97Å; Q751-L755 PolarHBondContact O-N 3.44Å; Q751-L755 VanDerWaalsContact O-N 3.1Å
752	K	74.1	Confident	76.2	Confident	161 Å²	161	110.2 Å²	110.2	70%	0.7	52%	0.521	S	S	*	.	H	α-helix	trans	-69.8	-37.2	174.1	-81.1	-173.4	173.6	-169.8	0	112.6	A748 I749 Q750 L755 K756	A748-K752 WeakPolarHBondContact O-CG 3.49Å; A748-K752 PolarHBondContact O-N 3.19Å; I749-K752 PolarHBondContact O-N 3.23Å; I749-K752 VanDerWaalsContact O-N 3.17Å; Q750-K752 VanDerWaalsContact C-N 3.28Å; Q750-K752 PolarHBondContact O-N 3.01Å; K752-L755 PolarHBondContact O-N 3.43Å; K752-K756 WeakPolarHBondContact O-CB 3.39Å; K752-K756 PolarHBondContact O-N 3.08Å
753	Q	76.9	Confident	76.8	Confident	84 Å²	84	106 Å²	106	39%	0.393	51%	0.511	S	S	.	.	H	α-helix	trans	-65.8	-47.4	174.3	-168.5	62.7	44.7	0	0	110.5	I749 Q750 L755 K756 D757	I749-Q753 PolarHBondContact O-N 2.91Å; Q750-Q753 PolarHBondContact O-N 3.17Å; Q750-Q753 VanDerWaalsContact O-N 3.13Å; Q753-L755 PolarHBondContact O-N 2.91Å; Q753-K756 WeakPolarHBondContact O-CA 3.46Å; Q753-K756 WeakPolarHBondContact O-CB 3.45Å; Q753-K756 PolarHBondContact O-N 3.12Å; Q753-D757 PolarHBondContact NE2-OD1 3.26Å; Q753-D757 PolarHBondContact O-N 2.93Å
754	E	83.7	Confident	77.4	Confident	88 Å²	88	107 Å²	107	41%	0.411	52%	0.518	S	S	.	.	H	α-helix	trans	-61	-27.1	176.7	-70.9	170.6	-159.5	0	0	113.9	Q750 K758	Q750-E754 WeakPolarHBondContact CG-OE1 3.4Å; Q750-E754 PolarHBondContact NE2-OE1 3.2Å; Q750-E754 WeakPolarHBondContact O-CG 3.47Å; Q750-E754 PolarHBondContact O-N 3.39Å; E754-K758 WeakPolarHBondContact O-CD 3.35Å; E754-K758 VanDerWaalsContact O-CG 3.31Å; E754-K758 WeakPolarHBondContact O-CG 3.38Å
755	L	79.3	Confident	78	Confident	109 Å²	109	106.2 Å²	106.2	57%	0.571	51%	0.514	S	S	*	.	H	α-helix	trans	-77.3	-40.1	171.7	-164.2	78.7	0	0	0	111.8	Q751 K752 Q753 K758 L759	Q751-L755 PolarHBondContact O-N 3.44Å; Q751-L755 VanDerWaalsContact O-N 3.1Å; K752-L755 PolarHBondContact O-N 3.43Å; Q753-L755 PolarHBondContact O-N 2.91Å; L755-K758 PolarHBondContact O-N 2.88Å; L755-L759 HydrophobicContact CG-CD1 4.36Å; L755-L759 WeakPolarHBondContact O-CG 3.38Å; L755-L759 PolarHBondContact O-N 3.1Å; L755-L759 VanDerWaalsContact O-N 3.09Å
756	K	81.6	Confident	79	Confident	93 Å²	93	105.3 Å²	105.3	40%	0.404	51%	0.509	S	S	.	.	H	α-helix	trans	-61.1	-49.5	175.2	177.6	179.9	176.7	-71.2	0	111	K752 Q753 K758 L759 E760	K752-K756 WeakPolarHBondContact O-CB 3.39Å; K752-K756 PolarHBondContact O-N 3.08Å; Q753-K756 WeakPolarHBondContact O-CA 3.46Å; Q753-K756 WeakPolarHBondContact O-CB 3.45Å; Q753-K756 PolarHBondContact O-N 3.12Å; K756-K758 PolarHBondContact O-N 2.68Å; K756-L759 PolarHBondContact O-N 2.85Å; K756-E760 VanDerWaalsContact CE-OE1 3.26Å; K756-E760 WeakPolarHBondContact CE-OE1 3.17Å; K756-E760 HydrophobicContact CG-CG 4.42Å; K756-E760 IonicContact NZ-OE1 3.62Å; K756-E760 PolarHBondContact NZ-OE1 3.2Å; K756-E760 IonicContact NZ-OE2 3.96Å; K756-E760 PolarHBondContact NZ-OE2 3.17Å; K756-E760 PolarHBondContact O-N 3.18Å
757	D	83.1	Confident	79.3	Confident	79 Å²	79	102.7 Å²	102.7	42%	0.422	50%	0.502	S	S	.	.	H	α-helix	trans	-61.7	-32.2	-178	-57.3	-17.5	0	0	0	111.7	Q753 K761	Q753-D757 PolarHBondContact NE2-OD1 3.26Å; Q753-D757 PolarHBondContact O-N 2.93Å; D757-K761 PolarHBondContact O-N 3.41Å
758	K	85.4	Confident	79.8	Confident	133 Å²	133	105 Å²	105	58%	0.578	51%	0.511	S	S	*	.	H	α-helix	trans	-70	-45.7	171.9	-75.9	171.6	-176.2	168.6	0	112.6	E754 L755 K756 K761 E762	E754-K758 WeakPolarHBondContact O-CD 3.35Å; E754-K758 VanDerWaalsContact O-CG 3.31Å; E754-K758 WeakPolarHBondContact O-CG 3.38Å; L755-K758 PolarHBondContact O-N 2.88Å; K756-K758 PolarHBondContact O-N 2.68Å; K758-K761 PolarHBondContact O-N 3.06Å; K758-E762 PolarHBondContact O-N 3.48Å
759	L	75.8	Confident	80.5	Confident	89 Å²	89	107.7 Å²	107.7	47%	0.466	51%	0.514	S	S	.	.	H	α-helix	trans	-67.2	-38.4	-179.6	-73.2	168.2	0	0	0	112.2	L755 K756 K761 E762 I763	L755-L759 HydrophobicContact CG-CD1 4.36Å; L755-L759 WeakPolarHBondContact O-CG 3.38Å; L755-L759 PolarHBondContact O-N 3.1Å; L755-L759 VanDerWaalsContact O-N 3.09Å; K756-L759 PolarHBondContact O-N 2.85Å; L759-K761 VanDerWaalsContact C-N 3.32Å; L759-E762 PolarHBondContact O-N 3.01Å; L759-I763 VanDerWaalsContact O-CG1 3.3Å; L759-I763 WeakPolarHBondContact O-CG1 3.47Å; L759-I763 PolarHBondContact O-N 2.92Å
760	E	80.9	Confident	80.9	Confident	96 Å²	96	107.2 Å²	107.2	45%	0.449	51%	0.512	S	S	.	.	H	α-helix	trans	-63.2	-40.5	173.7	-74.3	176.8	148.8	0	0	111.1	K756 I763 E764	K756-E760 VanDerWaalsContact CE-OE1 3.26Å; K756-E760 WeakPolarHBondContact CE-OE1 3.17Å; K756-E760 HydrophobicContact CG-CG 4.42Å; K756-E760 IonicContact NZ-OE1 3.62Å; K756-E760 PolarHBondContact NZ-OE1 3.2Å; K756-E760 IonicContact NZ-OE2 3.96Å; K756-E760 PolarHBondContact NZ-OE2 3.17Å; K756-E760 PolarHBondContact O-N 3.18Å; E760-I763 PolarHBondContact O-N 3Å; E760-E764 PolarHBondContact O-N 3.07Å
761	K	86.1	Confident	81.1	Confident	135 Å²	135	107 Å²	107	59%	0.587	52%	0.517	S	S	*	.	H	α-helix	trans	-65.1	-41.7	172.4	-172.8	174.6	-179.2	-179.9	0	113	D757 K758 L759 I763 E764 D765	D757-K761 PolarHBondContact O-N 3.41Å; K758-K761 PolarHBondContact O-N 3.06Å; L759-K761 VanDerWaalsContact C-N 3.32Å; K761-I763 VanDerWaalsContact C-N 3.27Å; K761-I763 PolarHBondContact O-N 3.46Å; K761-E764 PolarHBondContact O-N 3.12Å; K761-D765 WeakPolarHBondContact O-CB 3.13Å; K761-D765 PolarHBondContact O-N 3.14Å
762	E	82.4	Confident	81.6	Confident	119 Å²	119	106 Å²	106	56%	0.556	51%	0.512	S	S	*	.	H	α-helix	trans	-62.8	-33.7	177	-77.4	177.9	-170.2	0	0	112.3	K758 L759 I766	K758-E762 PolarHBondContact O-N 3.48Å; L759-E762 PolarHBondContact O-N 3.01Å; E762-I766 WeakPolarHBondContact O-CD1 3.36Å; E762-I766 VanDerWaalsContact O-CG1 3.25Å; E762-I766 WeakPolarHBondContact O-CG1 3.49Å; E762-I766 PolarHBondContact O-N 3.13Å
763	I	77.9	Confident	81.9	Confident	99 Å²	99	104 Å²	104	51%	0.508	51%	0.509	S	S	.	.	H	α-helix	trans	-68.6	-46.6	172.9	-68.4	164.1	0	0	0	110.9	L759 E760 K761 D765 I766 D767	L759-I763 VanDerWaalsContact O-CG1 3.3Å; L759-I763 WeakPolarHBondContact O-CG1 3.47Å; L759-I763 PolarHBondContact O-N 2.92Å; E760-I763 PolarHBondContact O-N 3Å; K761-I763 VanDerWaalsContact C-N 3.27Å; K761-I763 PolarHBondContact O-N 3.46Å; I763-D765 VanDerWaalsContact C-N 3.3Å; I763-D765 PolarHBondContact O-N 3.27Å; I763-I766 WeakPolarHBondContact O-CA 3.45Å; I763-I766 WeakPolarHBondContact O-CB 3.24Å; I763-I766 PolarHBondContact O-N 3.09Å; I763-D767 PolarHBondContact O-N 2.69Å
764	E	83.1	Confident	82	Confident	141 Å²	141	109.7 Å²	109.7	66%	0.659	53%	0.527	S	S	*	.	H	α-helix	trans	-60.5	-40	177.6	-165.3	170.4	-132.7	0	0	111.5	E760 K761 I766 D767 Q768	E760-E764 PolarHBondContact O-N 3.07Å; K761-E764 PolarHBondContact O-N 3.12Å; E764-I766 VanDerWaalsContact C-N 3.26Å; E764-I766 PolarHBondContact O-N 3.05Å; E764-D767 PolarHBondContact O-N 3.15Å; E764-Q768 WeakPolarHBondContact O-CB 3.11Å; E764-Q768 PolarHBondContact O-N 2.91Å
765	D	86.1	Confident	82	Confident	80 Å²	80	112 Å²	112	43%	0.428	54%	0.535	S	S	.	.	H	α-helix	trans	-64	-25.5	172.5	-121.3	60.6	0	0	0	113.1	K761 I763 K769	K761-D765 WeakPolarHBondContact O-CB 3.13Å; K761-D765 PolarHBondContact O-N 3.14Å; I763-D765 VanDerWaalsContact C-N 3.3Å; I763-D765 PolarHBondContact O-N 3.27Å; D765-K769 WeakPolarHBondContact O-CD 3.35Å; D765-K769 VanDerWaalsContact O-CG 3.24Å; D765-K769 WeakPolarHBondContact O-CG 3.22Å; D765-K769 PolarHBondContact O-NZ 3.19Å; D765-K769 IonicContact OD2-NZ 2.82Å; D765-K769 PolarHBondContact OD2-NZ 2.91Å
766	I	81.8	Confident	82.2	Confident	95 Å²	95	111.1 Å²	111.1	49%	0.487	54%	0.535	S	S	.	.	H	α-helix	trans	-83.6	-45.5	176.3	-74	164.4	0	0	0	110.6	E762 I763 E764 Q768 K769 L770	E762-I766 WeakPolarHBondContact O-CD1 3.36Å; E762-I766 VanDerWaalsContact O-CG1 3.25Å; E762-I766 WeakPolarHBondContact O-CG1 3.49Å; E762-I766 PolarHBondContact O-N 3.13Å; I763-I766 WeakPolarHBondContact O-CA 3.45Å; I763-I766 WeakPolarHBondContact O-CB 3.24Å; I763-I766 PolarHBondContact O-N 3.09Å; E764-I766 VanDerWaalsContact C-N 3.26Å; E764-I766 PolarHBondContact O-N 3.05Å; I766-Q768 VanDerWaalsContact C-N 3.31Å; I766-Q768 PolarHBondContact O-N 3.4Å; I766-K769 PolarHBondContact O-N 3.13Å; I766-K769 VanDerWaalsContact O-N 3.13Å; I766-L770 HydrophobicContact CG2-CD1 4.09Å; I766-L770 HydrophobicContact CG2-CG 4.47Å; I766-L770 WeakPolarHBondContact O-CG 3.34Å; I766-L770 PolarHBondContact O-N 2.87Å
767	D	79	Confident	81.9	Confident	95 Å²	95	111.9 Å²	111.9	51%	0.508	54%	0.542	S	S	.	.	H	α-helix	trans	-62.2	-39.4	177.7	-82.4	-23.7	0	0	0	111.4	I763 E764 K769 L770 V771	I763-D767 PolarHBondContact O-N 2.69Å; E764-D767 PolarHBondContact O-N 3.15Å; D767-K769 VanDerWaalsContact C-N 3.33Å; D767-K769 PolarHBondContact O-N 2.91Å; D767-L770 PolarHBondContact O-N 2.71Å; D767-L770 VanDerWaalsContact O-N 3.17Å; D767-V771 WeakPolarHBondContact O-CG2 3.47Å; D767-V771 PolarHBondContact O-N 2.72Å
768	Q	85.2	Confident	81.9	Confident	121 Å²	121	109.7 Å²	109.7	57%	0.565	54%	0.538	S	S	*	.	H	α-helix	trans	-56	-46.2	172.3	-167.2	74.4	6.5	0	0	111.6	E764 I766 L770 V771 E772	E764-Q768 WeakPolarHBondContact O-CB 3.11Å; E764-Q768 PolarHBondContact O-N 2.91Å; I766-Q768 VanDerWaalsContact C-N 3.31Å; I766-Q768 PolarHBondContact O-N 3.4Å; Q768-L770 PolarHBondContact O-N 2.98Å; Q768-V771 PolarHBondContact O-N 2.99Å; Q768-E772 PolarHBondContact O-N 2.93Å
769	K	84.2	Confident	81.8	Confident	102 Å²	102	107.2 Å²	107.2	44%	0.443	53%	0.531	S	S	.	.	H	α-helix	trans	-68.4	-32.4	178	-67.8	173.1	-169.3	93.6	0	112.4	D765 I766 D767 L773	D765-K769 WeakPolarHBondContact O-CD 3.35Å; D765-K769 VanDerWaalsContact O-CG 3.24Å; D765-K769 WeakPolarHBondContact O-CG 3.22Å; D765-K769 PolarHBondContact O-NZ 3.19Å; D765-K769 IonicContact OD2-NZ 2.82Å; D765-K769 PolarHBondContact OD2-NZ 2.91Å; I766-K769 PolarHBondContact O-N 3.13Å; I766-K769 VanDerWaalsContact O-N 3.13Å; D767-K769 VanDerWaalsContact C-N 3.33Å; D767-K769 PolarHBondContact O-N 2.91Å; K769-L773 WeakPolarHBondContact O-CB 3.4Å; K769-L773 PolarHBondContact O-N 3.08Å
770	L	78.2	Confident	81.9	Confident	94 Å²	94	105 Å²	105	49%	0.492	53%	0.526	S	S	.	.	H	α-helix	trans	-69.9	-34.7	173.9	-73.7	172.1	0	0	0	112.3	I766 D767 Q768 R774	I766-L770 HydrophobicContact CG2-CD1 4.09Å; I766-L770 HydrophobicContact CG2-CG 4.47Å; I766-L770 WeakPolarHBondContact O-CG 3.34Å; I766-L770 PolarHBondContact O-N 2.87Å; D767-L770 PolarHBondContact O-N 2.71Å; D767-L770 VanDerWaalsContact O-N 3.17Å; Q768-L770 PolarHBondContact O-N 2.98Å; L770-R774 VanDerWaalsContact O-CB 3.3Å; L770-R774 WeakPolarHBondContact O-CB 3.45Å; L770-R774 PolarHBondContact O-N 3.34Å
771	V	83.3	Confident	81.5	Confident	97 Å²	97	106 Å²	106	59%	0.588	53%	0.529	S	S	*	.	H	α-helix	trans	-67.2	-44.9	172.3	171.5	0	0	0	0	110.8	D767 Q768 R774 K775	D767-V771 WeakPolarHBondContact O-CG2 3.47Å; D767-V771 PolarHBondContact O-N 2.72Å; Q768-V771 PolarHBondContact O-N 2.99Å; V771-R774 PolarHBondContact O-N 3.35Å; V771-K775 PolarHBondContact O-N 3.15Å
772	E	85.6	Confident	81	Confident	117 Å²	117	106 Å²	106	55%	0.547	53%	0.531	S	S	.	.	H	α-helix	trans	-59.5	-50.7	174.1	-72.4	-179	168.8	0	0	111.7	Q768 R774 K775 T776	Q768-E772 PolarHBondContact O-N 2.93Å; E772-R774 VanDerWaalsContact C-N 3.34Å; E772-R774 PolarHBondContact O-N 2.94Å; E772-K775 WeakPolarHBondContact O-CB 3.41Å; E772-K775 PolarHBondContact O-N 3.32Å; E772-K775 VanDerWaalsContact O-N 3.09Å; E772-T776 PolarHBondContact O-N 3.45Å; E772-T776 PolarHBondContact O-OG1 2.94Å
773	L	80	Confident	80.8	Confident	118 Å²	118	103.1 Å²	103.1	62%	0.618	52%	0.524	S	S	*	.	H	α-helix	trans	-56.4	-44.3	175.8	-96.1	162.9	0	0	0	112.6	K769 K775 T776 L777	K769-L773 WeakPolarHBondContact O-CB 3.4Å; K769-L773 PolarHBondContact O-N 3.08Å; L773-K775 VanDerWaalsContact C-N 3.3Å; L773-K775 PolarHBondContact O-N 3.01Å; L773-T776 PolarHBondContact O-N 3.28Å; L773-L777 WeakPolarHBondContact O-CB 3.2Å; L773-L777 PolarHBondContact O-N 2.89Å
774	R	79.1	Confident	80.5	Confident	204 Å²	204	102.7 Å²	102.7	77%	0.77	52%	0.521	S	S	*	.	H	α-helix	trans	-63.4	-38.3	177.4	-174.6	179.4	-64.9	-174.7	1.9	111.4	L770 V771 E772 G778	L770-R774 VanDerWaalsContact O-CB 3.3Å; L770-R774 WeakPolarHBondContact O-CB 3.45Å; L770-R774 PolarHBondContact O-N 3.34Å; V771-R774 PolarHBondContact O-N 3.35Å; E772-R774 VanDerWaalsContact C-N 3.34Å; E772-R774 PolarHBondContact O-N 2.94Å; R774-G778 PolarHBondContact O-N 3.02Å
775	K	85.1	Confident	79.8	Confident	136 Å²	136	101.6 Å²	101.6	59%	0.591	52%	0.516	S	S	*	.	H	α-helix	trans	-66.2	-52.2	175.2	-167.7	-167.4	170.6	-169.1	0	111.1	V771 E772 L773 L777 G778 D779	V771-K775 PolarHBondContact O-N 3.15Å; E772-K775 WeakPolarHBondContact O-CB 3.41Å; E772-K775 PolarHBondContact O-N 3.32Å; E772-K775 VanDerWaalsContact O-N 3.09Å; L773-K775 VanDerWaalsContact C-N 3.3Å; L773-K775 PolarHBondContact O-N 3.01Å; K775-L777 PolarHBondContact O-N 3.09Å; K775-G778 CarbonylContact O-C 3.59Å; K775-G778 WeakPolarHBondContact O-CA 3.32Å; K775-G778 PolarHBondContact O-N 2.93Å; K775-D779 WeakPolarHBondContact CE-OD2 3.4Å; K775-D779 VanDerWaalsContact O-CG 3.27Å; K775-D779 PolarHBondContact O-N 3.37Å
776	T	83.5	Confident	79.1	Confident	91 Å²	91	102 Å²	102	56%	0.558	52%	0.518	S	S	*	.	H	α-helix	trans	-58.9	-36	179.4	-51.8	0	0	0	0	112.3	E772 L773 A780	E772-T776 PolarHBondContact O-N 3.45Å; E772-T776 PolarHBondContact O-OG1 2.94Å; L773-T776 PolarHBondContact O-N 3.28Å; T776-A780 VanDerWaalsContact O-CB 3.29Å; T776-A780 WeakPolarHBondContact O-CB 3.44Å; T776-A780 PolarHBondContact O-N 3.43Å
777	L	74.7	Confident	78.6	Confident	109 Å²	109	101.7 Å²	101.7	57%	0.571	51%	0.514	S	S	*	.	H	α-helix	trans	-67.8	-39.1	173.8	-164.1	74.3	0	0	0	112	L773 K775 F781	L773-L777 WeakPolarHBondContact O-CB 3.2Å; L773-L777 PolarHBondContact O-N 2.89Å; K775-L777 PolarHBondContact O-N 3.09Å; L777-F781 HydrophobicContact CG-CD2 4.16Å; L777-F781 HydrophobicContact CG-CE2 4.23Å; L777-F781 WeakPolarHBondContact O-CD2 3.4Å; L777-F781 PolarHBondContact O-N 2.97Å
778	G	82.4	Confident	78	Confident	32 Å²	32	101.8 Å²	101.8	33%	0.33	52%	0.518	S	S	.	.	H	α-helix	trans	-63.3	-52.3	173.3	0	0	0	0	0	112.6	R774 K775 A780 F781 E782	R774-G778 PolarHBondContact O-N 3.02Å; K775-G778 CarbonylContact O-C 3.59Å; K775-G778 WeakPolarHBondContact O-CA 3.32Å; K775-G778 PolarHBondContact O-N 2.93Å; G778-A780 PolarHBondContact O-N 2.83Å; G778-F781 PolarHBondContact O-N 2.71Å; G778-E782 PolarHBondContact O-N 3.26Å
779	D	83.8	Confident	77	Confident	82 Å²	82	102.6 Å²	102.6	44%	0.439	52%	0.522	S	S	.	.	H	α-helix	trans	-54.7	-40.7	176.6	-60.7	-19.2	0	0	0	110.7	K775 S783	K775-D779 WeakPolarHBondContact CE-OD2 3.4Å; K775-D779 VanDerWaalsContact O-CG 3.27Å; K775-D779 PolarHBondContact O-N 3.37Å; D779-S783 WeakPolarHBondContact O-CB 3.38Å; D779-S783 PolarHBondContact O-N 3.02Å
780	A	77.2	Confident	76.3	Confident	43 Å²	43	104.1 Å²	104.1	36%	0.355	53%	0.53	S	S	.	.	H	α-helix	trans	-69.4	-37.4	175.2	0	0	0	0	0	113.5	T776 G778 S783 M784	T776-A780 VanDerWaalsContact O-CB 3.29Å; T776-A780 WeakPolarHBondContact O-CB 3.44Å; T776-A780 PolarHBondContact O-N 3.43Å; G778-A780 PolarHBondContact O-N 2.83Å; A780-S783 PolarHBondContact O-N 3.26Å; A780-M784 WeakPolarHBondContact O-CE 3.38Å; A780-M784 WeakPolarHBondContact O-CG 3.39Å; A780-M784 PolarHBondContact O-N 2.9Å
781	F	73.1	Confident	74.7	Confident	115 Å²	115	102.8 Å²	102.8	50%	0.504	54%	0.539	S	S	.	.	H	α-helix	trans	-67.9	-39.3	174.7	-98.1	-70.5	0	0	0	112.5	L777 G778 M784 Q785	L777-F781 HydrophobicContact CG-CD2 4.16Å; L777-F781 HydrophobicContact CG-CE2 4.23Å; L777-F781 WeakPolarHBondContact O-CD2 3.4Å; L777-F781 PolarHBondContact O-N 2.97Å; G778-F781 PolarHBondContact O-N 2.71Å; F781-M784 HydrophobicContact CD1-CE 3.98Å; F781-M784 HydrophobicContact CE1-CE 4.23Å; F781-M784 HydrophobicContact CG-CE 4.17Å; F781-M784 PolarHBondContact O-N 3.06Å; F781-Q785 WeakPolarHBondContact O-CG 3.38Å; F781-Q785 PolarHBondContact O-N 3.1Å
782	E	76.2	Confident	73.2	Confident	135 Å²	135	106.2 Å²	106.2	63%	0.631	55%	0.546	S	S	*	.	H	α-helix	trans	-64.2	-43.2	172.8	-70.4	-168.5	174.7	0	0	111.1	G778 M784 Q785 L786	G778-E782 PolarHBondContact O-N 3.26Å; E782-M784 PolarHBondContact O-N 3.37Å; E782-Q785 PolarHBondContact O-N 3.48Å; E782-L786 WeakPolarHBondContact O-CG 3.25Å; E782-L786 PolarHBondContact O-N 3.04Å
783	S	78.1	Confident	71.2	Confident	59 Å²	59	109 Å²	109	41%	0.413	56%	0.564	S	S	.	*	H	α-helix	trans	-58.4	-46.6	174.7	-165.3	0	0	0	0	112.2	D779 A780 Q785 L786 E787	D779-S783 WeakPolarHBondContact O-CB 3.38Å; D779-S783 PolarHBondContact O-N 3.02Å; A780-S783 PolarHBondContact O-N 3.26Å; S783-Q785 PolarHBondContact O-N 3.29Å; S783-L786 PolarHBondContact O-N 3.3Å; S783-E787 WeakPolarHBondContact O-CG 3.45Å; S783-E787 PolarHBondContact O-N 3.1Å
784	M	70.4	Confident	70.8	Confident	90 Å²	90	108.6 Å²	108.6	44%	0.443	56%	0.561	S	S	.	*	H	α-helix	trans	-64.1	-38	176.3	-74.4	-175.5	-71.3	0	0	112.5	A780 F781 E782 E787 V788	A780-M784 WeakPolarHBondContact O-CE 3.38Å; A780-M784 WeakPolarHBondContact O-CG 3.39Å; A780-M784 PolarHBondContact O-N 2.9Å; F781-M784 HydrophobicContact CD1-CE 3.98Å; F781-M784 HydrophobicContact CE1-CE 4.23Å; F781-M784 HydrophobicContact CG-CE 4.17Å; F781-M784 PolarHBondContact O-N 3.06Å; E782-M784 PolarHBondContact O-N 3.37Å; M784-E787 PolarHBondContact O-N 3.14Å; M784-V788 WeakPolarHBondContact O-CG2 3.37Å; M784-V788 PolarHBondContact O-N 3.14Å
785	Q	68.7	Low	70.4	Confident	118 Å²	118	103.6 Å²	103.6	55%	0.551	55%	0.55	S	S	*	*	H	α-helix	trans	-66	-38.5	175.1	-75.4	-172.9	16.4	0	0	112.1	F781 E782 S783 Q789	F781-Q785 WeakPolarHBondContact O-CG 3.38Å; F781-Q785 PolarHBondContact O-N 3.1Å; E782-Q785 PolarHBondContact O-N 3.48Å; S783-Q785 PolarHBondContact O-N 3.29Å; Q785-Q789 WeakPolarHBondContact O-CB 3.26Å; Q785-Q789 VanDerWaalsContact O-CG 3.31Å; Q785-Q789 WeakPolarHBondContact O-CG 3.19Å; Q785-Q789 PolarHBondContact O-N 2.74Å
786	L	72.6	Confident	69.6	Low	90 Å²	90	101.8 Å²	101.8	47%	0.471	55%	0.548	S	S	.	.	H	α-helix	trans	-67.1	-39.8	175.1	-71.5	168.1	0	0	0	112.1	E782 S783 Q789 H790	E782-L786 WeakPolarHBondContact O-CG 3.25Å; E782-L786 PolarHBondContact O-N 3.04Å; S783-L786 PolarHBondContact O-N 3.3Å; L786-Q789 CarbonylContact O-C 3.55Å; L786-Q789 PolarHBondContact O-N 3.16Å; L786-H790 VanDerWaalsContact O-CB 3.29Å; L786-H790 WeakPolarHBondContact O-CB 3.29Å; L786-H790 VanDerWaalsContact O-CG 3.28Å; L786-H790 PolarHBondContact O-N 3.22Å
787	E	70.4	Confident	68.7	Low	88 Å²	88	102.4 Å²	102.4	41%	0.411	55%	0.547	S	S	.	.	H	α-helix	trans	-64.1	-40.2	175.8	-73.9	178.1	159.4	0	0	112.6	S783 M784 H790 G791 K792 L793	S783-E787 WeakPolarHBondContact O-CG 3.45Å; S783-E787 PolarHBondContact O-N 3.1Å; M784-E787 PolarHBondContact O-N 3.14Å; E787-H790 CarbonylContact O-C 3.51Å; E787-H790 PolarHBondContact O-N 3.44Å; E787-G791 PolarHBondContact O-N 3.01Å; E787-K792 PolarHBondContact O-N 3.44Å; E787-K792 VanDerWaalsContact O-N 3.09Å; E787-L793 HydrophobicContact CB-CD1 4.07Å
788	V	67.1	Low	68.4	Low	96 Å²	96	102 Å²	102	58%	0.582	55%	0.546	S	S	*	.	H	α-helix	trans	-66	-44.3	172.1	171.8	0	0	0	0	111.3	M784 H790 G791 L793	M784-V788 WeakPolarHBondContact O-CG2 3.37Å; M784-V788 PolarHBondContact O-N 3.14Å; V788-H790 PolarHBondContact O-N 3.11Å; V788-G791 PolarHBondContact O-N 3.47Å; V788-L793 HydrophobicContact CG2-CB 4.37Å; V788-L793 HydrophobicContact CG2-CD1 3.81Å
789	Q	64.3	Low	67.4	Low	138 Å²	138	106.7 Å²	106.7	65%	0.645	56%	0.56	S	S	*	*	H	α-helix	trans	-67.9	-17.4	176.2	-74.8	-177.4	20.4	0	0	113.7	Q785 L786	Q785-Q789 WeakPolarHBondContact O-CB 3.26Å; Q785-Q789 VanDerWaalsContact O-CG 3.31Å; Q785-Q789 WeakPolarHBondContact O-CG 3.19Å; Q785-Q789 PolarHBondContact O-N 2.74Å; L786-Q789 CarbonylContact O-C 3.55Å; L786-Q789 PolarHBondContact O-N 3.16Å
790	H	68.2	Low	66.3	Low	135 Å²	135	108.4 Å²	108.4	63%	0.625	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	9.8	177.2	-67.5	-3.6	0	0	0	113.4	L786 E787 V788 K792	L786-H790 VanDerWaalsContact O-CB 3.29Å; L786-H790 WeakPolarHBondContact O-CB 3.29Å; L786-H790 VanDerWaalsContact O-CG 3.28Å; L786-H790 PolarHBondContact O-N 3.22Å; E787-H790 CarbonylContact O-C 3.51Å; E787-H790 PolarHBondContact O-N 3.44Å; V788-H790 PolarHBondContact O-N 3.11Å; H790-K792 VanDerWaalsContact C-N 3.34Å; H790-K792 PolarHBondContact O-N 3.47Å
791	G	44.2	Very low	65.4	Low	65 Å²	65	113.5 Å²	113.5	67%	0.67	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.3	35.9	172.2	0	0	0	0	0	114	E787 V788	E787-G791 PolarHBondContact O-N 3.01Å; V788-G791 PolarHBondContact O-N 3.47Å
792	K	52.2	Low	64.8	Low	170 Å²	170	113.3 Å²	113.3	74%	0.739	59%	0.592	S	S	*	*			trans	-102.3	7.2	176.9	-72.2	-173.6	175.1	180	0	114	E787 H790	E787-K792 PolarHBondContact O-N 3.44Å; E787-K792 VanDerWaalsContact O-N 3.09Å; H790-K792 VanDerWaalsContact C-N 3.34Å; H790-K792 PolarHBondContact O-N 3.47Å
793	L	45.2	Very low	63.7	Low	176 Å²	176	111.4 Å²	111.4	92%	0.921	59%	0.588	S	S	*	*			trans	-133.5	0	176.5	-79.9	164.3	0	0	0	109.3	E787 V788	E787-L793 HydrophobicContact CB-CD1 4.07Å; V788-L793 HydrophobicContact CG2-CB 4.37Å; V788-L793 HydrophobicContact CG2-CD1 3.81Å

Retrieved 793 of 793 residues in 566.8 ms (Link to these results)

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