A0A077YY97_TRITR Loading...

Nuclear receptor NHR 91

AlphaFold DB , UniProt , Accession A0A077YY97, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 665 aa.

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(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	32.3	Very low	33.1	Very low	221 Å²	221	138.3 Å²	138.3	100%	1.089	77%	0.773	S	S	*	*				0	95.5	0	-73.8	171.2	170.8	0	0	108.2
2	T	37.6	Very low	33.5	Very low	135 Å²	135	139.3 Å²	139.3	83%	0.828	78%	0.784	S	S	*	*			cis	-168.4	66.7	-21.3	6.9	0	0	0	0	105.7
3	T	31.5	Very low	33.3	Very low	108 Å²	108	137.6 Å²	137.6	66%	0.663	79%	0.787	S	S	*	*				64.7	116.7	58.8	70.6	0	0	0	0	115.4
4	S	33.6	Very low	33.4	Very low	115 Å²	115	132.8 Å²	132.8	80%	0.804	78%	0.783	S	S	*	*			trans	75.8	149.3	149.8	-56	0	0	0	0	118.3
5	S	35.2	Very low	33.2	Very low	93 Å²	93	135.2 Å²	135.2	65%	0.65	79%	0.788	S	S	*	*			cis	-178.2	150.2	-11.7	47.1	0	0	0	0	112.1
6	L	34.3	Very low	33.4	Very low	153 Å²	153	134.1 Å²	134.1	80%	0.801	79%	0.787	S	S	*	*			trans	57.7	133.6	147.9	-58.8	163	0	0	0	118.8
7	F	28.4	Very low	33.2	Very low	190 Å²	190	134.2 Å²	134.2	83%	0.833	80%	0.795	S	S	*	*				63.4	144.7	56.4	-78.9	-108.4	0	0	0	114.9
8	P	36.7	Very low	33	Very low	115 Å²	115	131.1 Å²	131.1	75%	0.747	79%	0.786	S	S	*	*			cis	-141.6	-162.2	-27.1	37.7	-16.4	0	0	0	114.4
9	K	31.6	Very low	33.1	Very low	147 Å²	147	132 Å²	132	64%	0.639	79%	0.786	S	S	*	*			trans	-67.7	174.7	161.7	-65.6	-177.8	157.5	-153.7	0	112.4	D11	K9-D11 WeakPolarHBondContact CD-OD2 3.49Å; K9-D11 IonicContact NZ-OD1 2.76Å; K9-D11 PolarHBondContact NZ-OD1 2.84Å; K9-D11 IonicContact NZ-OD2 3.16Å; K9-D11 PolarHBondContact NZ-OD2 2.73Å
10	P	35.7	Very low	33.1	Very low	125 Å²	125	134.2 Å²	134.2	81%	0.812	79%	0.788	S	S	*	*				-138.1	169.1	94.2	39.4	-28.3	0	0	0	115.4
11	D	27.2	Very low	33.1	Very low	119 Å²	119	135.1 Å²	135.1	64%	0.636	79%	0.79	S	S	*	*			trans	-99.1	145.4	174.2	-53.7	-83	0	0	0	111.1	K9	K9-D11 WeakPolarHBondContact CD-OD2 3.49Å; K9-D11 IonicContact NZ-OD1 2.76Å; K9-D11 PolarHBondContact NZ-OD1 2.84Å; K9-D11 IonicContact NZ-OD2 3.16Å; K9-D11 PolarHBondContact NZ-OD2 2.73Å
12	V	37.5	Very low	33.3	Very low	150 Å²	150	132.6 Å²	132.6	91%	0.909	78%	0.781	S	S	*	*			trans	-143.4	139.3	160.9	-177.8	0	0	0	0	109.6
13	S	31.2	Very low	33	Very low	118 Å²	118	131.5 Å²	131.5	83%	0.825	77%	0.77	S	S	*	*			trans	-108.2	150	179.7	51.6	0	0	0	0	112.4
14	G	34.4	Very low	33	Very low	70 Å²	70	134.3 Å²	134.3	72%	0.722	78%	0.778	S	S	*	*			trans	179.5	87.2	175.7	0	0	0	0	0	116.9
15	I	31	Very low	32.8	Very low	169 Å²	169	137 Å²	137	87%	0.867	78%	0.778	S	S	*	*			trans	47.6	132.2	139.6	-58.1	175.7	0	0	0	119.8
16	P	35.7	Very low	32.7	Very low	118 Å²	118	140.2 Å²	140.2	77%	0.766	79%	0.786	S	S	*	*			trans	-99.2	165.9	-175.1	40.1	-36.8	0	0	0	115.4
17	C	30.1	Very low	32.5	Very low	136 Å²	136	136.3 Å²	136.3	92%	0.919	78%	0.782	S	S	*	*			trans	-156.6	171.2	140.8	-124.5	0	0	0	0	110.6
18	A	30.9	Very low	32.4	Very low	77 Å²	77	134 Å²	134	64%	0.636	77%	0.768	S	S	*	*			trans	-74.3	167.7	-175.2	0	0	0	0	0	112.6
19	D	33.3	Very low	32.3	Very low	149 Å²	149	134.2 Å²	134.2	80%	0.797	77%	0.77	S	S	*	*				-162.7	158.4	70.8	-80.9	-41.4	0	0	0	115.2
20	E	34.8	Very low	32.1	Very low	175 Å²	175	130.1 Å²	130.1	82%	0.818	76%	0.76	S	S	*	*			trans	44.3	128.1	153.6	-60.1	-173	149.5	0	0	124.4
21	D	32.8	Very low	31.9	Very low	155 Å²	155	130 Å²	130	83%	0.829	76%	0.756	S	S	*	*			trans	43.4	121.5	140.7	-65.1	-5.1	0	0	0	123.6
22	D	36.3	Very low	32	Very low	167 Å²	167	127 Å²	127	89%	0.893	74%	0.739	S	S	*	*				-152.6	157	103.9	-146.5	-22.2	0	0	0	111.8
23	N	30.6	Very low	31.4	Very low	113 Å²	113	123.3 Å²	123.3	60%	0.604	72%	0.72	S	S	*	*			trans	-122	126.5	-161.5	179.4	13.9	0	0	0	114.3
24	M	31.9	Very low	31.1	Very low	167 Å²	167	124 Å²	124	82%	0.823	72%	0.719	S	S	*	*			trans	-151.5	82.9	165.7	-165.5	63.8	62.5	0	0	112.7
25	Q	30	Very low	30.8	Very low	172 Å²	172	125.6 Å²	125.6	80%	0.804	73%	0.726	S	S	*	*			trans	-74.2	128.1	175.7	-66.1	-179.8	-0.3	0	0	112.6
26	I	32.2	Very low	30.5	Very low	160 Å²	160	123.7 Å²	123.7	82%	0.821	73%	0.728	S	S	*	*			trans	-117.3	92.7	162.8	-59.3	-179.4	0	0	0	108.4
27	G	30.1	Very low	30.2	Very low	71 Å²	71	123.4 Å²	123.4	73%	0.732	73%	0.729	S	S	*	*			trans	-75.9	129.1	-175.4	0	0	0	0	0	113.9
28	R	27.2	Very low	30.2	Very low	141 Å²	141	124.4 Å²	124.4	53%	0.532	72%	0.723	S	S	.	*			trans	-90.4	119.2	161.8	-72.5	-178.6	175.1	-176.1	-0.8	109.7	S30 E192 E195	R28-S30 PolarHBondContact O-N 2.67Å; R28-E192 IonicContact CZ-OE1 2.72Å; R28-E192 IonicContact NH1-OE1 2.83Å; R28-E192 PolarHBondContact NH1-OE1 3.29Å; R28-E192 IonicContact NH2-OE1 2.75Å; R28-E195 IonicContact NH2-OE2 3.2Å; R28-E195 PolarHBondContact NH2-OE2 3.22Å
29	P	33.2	Very low	30.2	Very low	120 Å²	120	125.9 Å²	125.9	78%	0.779	73%	0.728	S	S	*	*			trans	-84	99	165.5	31.5	-29.5	0	0	0	110.2
30	S	29.2	Very low	30.1	Very low	61 Å²	61	123.9 Å²	123.9	43%	0.427	73%	0.726	S	S	.	*			trans	-95.6	116.2	154.1	54.5	0	0	0	0	107.9	R28 R188	R28-S30 PolarHBondContact O-N 2.67Å; S30-R188 PolarHBondContact OG-NH2 3.31Å
31	V	30.8	Very low	29.9	Very low	122 Å²	122	126.2 Å²	126.2	74%	0.739	73%	0.727	S	S	*	*			trans	-131.7	80.8	177.8	-170.5	0	0	0	0	109.6
32	I	28.1	Very low	30	Very low	56 Å²	56	124.9 Å²	124.9	29%	0.287	72%	0.719	S	S	.	*			trans	-84	140.3	145.2	-58.9	-176.8	0	0	0	106.6	Q180 R183 D184 L187	I32-Q180 VanDerWaalsContact CG2-CD 3.48Å; I32-Q180 HydrophobicContact CG2-CG 3.54Å; I32-Q180 VanDerWaalsContact CG2-NE2 3.35Å; I32-R183 HydrophobicContact CD1-CB 4.46Å; I32-D184 WeakPolarHBondContact CD1-OD1 3.5Å; I32-D184 WeakPolarHBondContact CG1-OD1 3.25Å; I32-L187 HydrophobicContact CD1-CD1 4.14Å; I32-L187 HydrophobicContact CD1-CD2 4.18Å
33	S	26.2	Very low	29.8	Very low	72 Å²	72	124.8 Å²	124.8	50%	0.503	71%	0.713	S	S	.	*	S	Bend	trans	76.2	149.2	173.7	-162.7	0	0	0	0	118.4
34	T	24.9	Very low	29.8	Very low	132 Å²	132	122.8 Å²	122.8	81%	0.81	72%	0.719	S	S	*	*			trans	87.2	84.5	157.6	-43	0	0	0	0	117.9
35	A	28	Very low	29.9	Very low	105 Å²	105	119.3 Å²	119.3	87%	0.868	72%	0.717	S	S	*	*			trans	-157.8	102.4	150.1	0	0	0	0	0	110.9
36	S	24.9	Very low	30.2	Very low	128 Å²	128	118 Å²	118	90%	0.895	72%	0.715	S	S	*	*			trans	-154.6	108.2	169	-178.9	0	0	0	0	110.2
37	S	28.7	Very low	30.4	Very low	113 Å²	113	115.7 Å²	115.7	79%	0.79	71%	0.709	S	S	*	*			trans	179.7	176.2	164.5	-165.1	0	0	0	0	110.3
38	I	30.3	Very low	30.7	Very low	157 Å²	157	117.8 Å²	117.8	81%	0.805	71%	0.707	S	S	*	*			trans	73.1	123.5	173.9	-48.6	168.5	0	0	0	113.7
39	C	30.7	Very low	31.1	Very low	108 Å²	108	116.9 Å²	116.9	73%	0.73	72%	0.718	S	S	*	*			cis	-156.7	146.4	-16	-101.7	0	0	0	0	106.5
40	S	31.9	Very low	31.1	Very low	107 Å²	107	115.7 Å²	115.7	75%	0.748	72%	0.718	S	S	*	*				57.3	118.9	67.3	-72.7	0	0	0	0	114.5
41	R	30.5	Very low	31.3	Very low	223 Å²	223	117.7 Å²	117.7	84%	0.842	73%	0.732	S	S	*	*			cis	-137.4	-154.6	0.5	-67.2	-177.5	179.7	173	1.6	109.1
42	L	33.4	Very low	31.3	Very low	128 Å²	128	119.7 Å²	119.7	67%	0.67	74%	0.738	S	S	*	*			cis	-147.9	170.9	14	-74.9	170.1	0	0	0	112.8
43	E	32.3	Very low	31.4	Very low	165 Å²	165	120.4 Å²	120.4	77%	0.771	75%	0.752	S	S	*	*			trans	-11.1	157.3	150.4	-63.2	131.8	-144.2	0	0	121.9
44	G	32.2	Very low	31.6	Very low	70 Å²	70	123.2 Å²	123.2	72%	0.722	77%	0.766	S	S	*	*			cis	173.8	175.6	-2.2	0	0	0	0	0	113.6
45	A	33.4	Very low	31.9	Very low	94 Å²	94	125.8 Å²	125.8	78%	0.777	77%	0.771	S	S	*	*			trans	67.5	145.7	177	0	0	0	0	0	117.9
46	D	35.6	Very low	31.9	Very low	145 Å²	145	130.3 Å²	130.3	78%	0.775	77%	0.772	S	S	*	*			cis	-152.3	160	-2.4	-114	-22.9	0	0	0	115.3
47	T	37.2	Very low	32.5	Very low	112 Å²	112	129.3 Å²	129.3	69%	0.687	76%	0.762	S	S	*	*			trans	-4.3	157.2	159.9	59.1	0	0	0	0	122.8
48	T	36.1	Very low	32.5	Very low	114 Å²	114	135.1 Å²	135.1	70%	0.699	77%	0.766	S	S	*	*			cis	-165	153.2	15.7	-3.4	0	0	0	0	114.8
49	T	35.2	Very low	32.3	Very low	123 Å²	123	137.7 Å²	137.7	76%	0.755	77%	0.768	S	S	*	*			trans	27.2	123.7	149.3	50.1	0	0	0	0	122.7
50	A	34.4	Very low	32.4	Very low	94 Å²	94	141.8 Å²	141.8	78%	0.777	78%	0.776	S	S	*	*				83.8	152.4	72.8	0	0	0	0	0	114.6
51	S	32.1	Very low	32.3	Very low	104 Å²	104	144.8 Å²	144.8	73%	0.727	78%	0.783	S	S	*	*			cis	-164.6	160.5	-0.5	-140.9	0	0	0	0	112.1
52	L	30.2	Very low	32.3	Very low	164 Å²	164	137.3 Å²	137.3	86%	0.859	78%	0.775	S	S	*	*			trans	61.1	163	166.7	-82.2	75.5	0	0	0	117.5
53	A	31.4	Very low	32	Very low	70 Å²	70	137.1 Å²	137.1	58%	0.579	78%	0.784	S	S	*	*			cis	-165.6	160.1	-28	0	0	0	0	0	112.7
54	T	30.7	Very low	31.9	Very low	131 Å²	131	133.6 Å²	133.6	80%	0.804	78%	0.784	S	S	*	*			trans	68.9	143.2	149.7	37	0	0	0	0	124.1
55	M	30.8	Very low	31.6	Very low	187 Å²	187	137.9 Å²	137.9	92%	0.921	79%	0.79	S	S	*	*			trans	87.9	149.7	152.9	-75.6	178.7	176	0	0	122.4
56	K	28.2	Very low	31.5	Very low	200 Å²	200	139.5 Å²	139.5	87%	0.87	79%	0.79	S	S	*	*			trans	-149.4	177.3	-169.9	-103	-171.6	176.7	-178.2	0	105.5
57	P	36.3	Very low	31.2	Very low	106 Å²	106	140.9 Å²	140.9	69%	0.688	80%	0.796	S	S	*	*			cis	-135.3	179.1	-43.9	40.1	-24.8	0	0	0	111.7
58	R	28.8	Very low	30.8	Very low	236 Å²	236	143 Å²	143	89%	0.891	80%	0.799	S	S	*	*			trans	178.1	172.7	130.2	-101.6	178.1	178.2	-173.8	-0.5	113.9
59	Y	27.1	Very low	30.5	Very low	211 Å²	211	143.5 Å²	143.5	83%	0.827	80%	0.803	S	S	*	*			trans	-86.8	157.9	-170.7	-55.1	-104.8	0	0	0	113.3
60	E	32.6	Very low	30.2	Very low	193 Å²	193	143.2 Å²	143.2	90%	0.902	80%	0.802	S	S	*	*				-162.5	176.8	111.7	-110.7	171.9	-157.2	0	0	112.3
61	L	29.9	Very low	30	Very low	171 Å²	171	145.3 Å²	145.3	90%	0.895	81%	0.805	S	S	*	*			trans	-93.3	153.2	-167.8	-77.2	68.8	0	0	0	112.7
62	G	30.1	Very low	30	Very low	66 Å²	66	147.3 Å²	147.3	68%	0.68	81%	0.806	S	S	*	*			trans	-163.7	9.4	-175.7	0	0	0	0	0	122.2
63	S	28.5	Very low	30	Very low	124 Å²	124	150.2 Å²	150.2	87%	0.867	81%	0.805	S	S	*	*			trans	59	155.6	165.4	59.4	0	0	0	0	121.4
64	A	28.7	Very low	29.9	Very low	91 Å²	91	150.5 Å²	150.5	75%	0.752	80%	0.801	S	S	*	*			trans	72.3	121.8	170.4	0	0	0	0	0	119.4
65	D	26.8	Very low	30.1	Very low	159 Å²	159	147.9 Å²	147.9	85%	0.85	79%	0.786	S	S	*	*			trans	31.2	104.3	154.4	-56.5	-36.2	0	0	0	121.2
66	V	29.9	Very low	30.4	Very low	129 Å²	129	142.2 Å²	142.2	78%	0.782	77%	0.769	S	S	*	*				-178	112.1	122.8	147.8	0	0	0	0	107.9	Q68	V66-Q68 HydrophobicContact CG1-CG 4.49Å; V66-Q68 PolarHBondContact O-N 3.14Å
67	L	29.9	Very low	30.8	Very low	174 Å²	174	138.2 Å²	138.2	91%	0.911	76%	0.757	S	S	*	*			trans	-86.6	101.4	176.7	-94.2	166.7	0	0	0	110.7
68	Q	28.4	Very low	30.8	Very low	157 Å²	157	137.8 Å²	137.8	73%	0.734	75%	0.748	S	S	*	*			trans	-65.1	148.6	167.6	-67.7	-176.9	-12.6	0	0	110.9	V66 T70	V66-Q68 HydrophobicContact CG1-CG 4.49Å; V66-Q68 PolarHBondContact O-N 3.14Å; Q68-T70 PolarHBondContact O-N 3.35Å; Q68-T70 VanDerWaalsContact O-N 3.08Å
69	P	30.5	Very low	31.1	Very low	123 Å²	123	129.9 Å²	129.9	80%	0.799	73%	0.726	S	S	*	*			trans	-66.7	110.6	-179.7	27.1	-34.3	0	0	0	111	V71	P69-V71 PolarHBondContact O-N 2.84Å
70	T	27.9	Very low	31.7	Very low	118 Å²	118	123.6 Å²	123.6	72%	0.724	71%	0.705	S	S	*	*			trans	-66.9	114.3	172.2	37.1	0	0	0	0	109.8	Q68 I72	Q68-T70 PolarHBondContact O-N 3.35Å; Q68-T70 VanDerWaalsContact O-N 3.08Å; T70-I72 VanDerWaalsContact C-N 3.34Å; T70-I72 PolarHBondContact O-N 2.92Å
71	V	32.1	Very low	31.9	Very low	138 Å²	138	117.1 Å²	117.1	84%	0.836	68%	0.676	S	S	*	*			trans	-70.9	91.5	175.1	-178.8	0	0	0	0	108.9	P69 R73	P69-V71 PolarHBondContact O-N 2.84Å; V71-R73 PolarHBondContact O-N 3.26Å
72	I	30.1	Very low	32.3	Very low	146 Å²	146	115.2 Å²	115.2	75%	0.749	66%	0.66	S	S	*	*			trans	-63	107.9	174.4	-57.9	176.5	0	0	0	107.9	T70	T70-I72 VanDerWaalsContact C-N 3.34Å; T70-I72 PolarHBondContact O-N 2.92Å
73	R	30.6	Very low	32.8	Very low	225 Å²	225	117.2 Å²	117.2	85%	0.849	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-61.9	131.6	165.2	-81.7	-173.4	171.5	-166.8	-2.4	108.2	V71	V71-R73 PolarHBondContact O-N 3.26Å
74	P	30.7	Very low	33.6	Very low	75 Å²	75	112.2 Å²	112.2	49%	0.487	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-61.6	146.3	169.5	27.4	-33.9	0	0	0	109.7	L78 V79	P74-L78 HydrophobicContact CB-CB 4.21Å; P74-L78 HydrophobicContact CB-CD1 4.28Å; P74-V79 HydrophobicContact CG-CG2 4.11Å
75	P	34.2	Very low	34.4	Very low	77 Å²	77	112.3 Å²	112.3	50%	0.5	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-55.7	150	170.1	24.2	-35	0	0	0	111	D77 L78	P75-D77 PolarHBondContact O-N 2.74Å; P75-D77 VanDerWaalsContact O-N 3.13Å; P75-L78 HydrophobicContact CG-CD1 4.1Å; P75-L78 HydrophobicContact CG-CG 4.46Å; P75-L78 PolarHBondContact O-N 3.47Å
76	A	36	Very low	35.3	Very low	67 Å²	67	109.9 Å²	109.9	55%	0.554	58%	0.579	S	S	*	*	H	α-helix	trans	-53.6	-38.4	-173.9	0	0	0	0	0	112.5	L78 V79 Q80	A76-L78 PolarHBondContact O-N 2.9Å; A76-V79 PolarHBondContact O-N 2.83Å; A76-Q80 PolarHBondContact O-N 3.31Å
77	D	37.7	Very low	36.2	Very low	116 Å²	116	107.5 Å²	107.5	62%	0.62	56%	0.562	S	S	*	*	H	α-helix	trans	-52.8	-37	177.7	-41.9	-13.7	0	0	0	112.9	P75 L81	P75-D77 PolarHBondContact O-N 2.74Å; P75-D77 VanDerWaalsContact O-N 3.13Å; D77-L81 WeakPolarHBondContact O-CB 3.44Å; D77-L81 PolarHBondContact O-N 3.48Å
78	L	35.5	Very low	37	Very low	97 Å²	97	100.2 Å²	100.2	51%	0.508	53%	0.527	S	S	.	.	H	α-helix	trans	-73.2	-32.3	178.4	-88.3	171.7	0	0	0	112.4	P74 P75 A76 L81 F82	P74-L78 HydrophobicContact CB-CB 4.21Å; P74-L78 HydrophobicContact CB-CD1 4.28Å; P75-L78 HydrophobicContact CG-CD1 4.1Å; P75-L78 HydrophobicContact CG-CG 4.46Å; P75-L78 PolarHBondContact O-N 3.47Å; A76-L78 PolarHBondContact O-N 2.9Å; L78-L81 HydrophobicContact CD2-CD2 4.35Å; L78-F82 WeakPolarHBondContact O-CB 3.32Å; L78-F82 PolarHBondContact O-N 3.38Å; L78-F82 VanDerWaalsContact O-N 3.09Å
79	V	35	Very low	38	Very low	70 Å²	70	94.5 Å²	94.5	42%	0.424	50%	0.501	S	S	.	.	H	α-helix	trans	-73.3	-44.4	176	-176.7	0	0	0	0	110.1	P74 A76 F82 Q83	P74-V79 HydrophobicContact CG-CG2 4.11Å; A76-V79 PolarHBondContact O-N 2.83Å; V79-F82 PolarHBondContact O-N 3.42Å; V79-Q83 WeakPolarHBondContact O-CG 3.4Å; V79-Q83 PolarHBondContact O-N 3.22Å
80	Q	39.7	Very low	38.9	Very low	80 Å²	80	93.5 Å²	93.5	37%	0.374	49%	0.488	S	S	.	.	H	α-helix	trans	-62.1	-42.4	172.8	-74.9	-173.3	-43.7	0	0	111.7	A76 F82 Q83 Y84	A76-Q80 PolarHBondContact O-N 3.31Å; Q80-F82 VanDerWaalsContact C-N 3.3Å; Q80-F82 PolarHBondContact O-N 3.02Å; Q80-Q83 PolarHBondContact O-N 3.4Å; Q80-Y84 WeakPolarHBondContact O-CB 3.48Å; Q80-Y84 PolarHBondContact O-N 3.2Å
81	L	38	Very low	40	Very low	56 Å²	56	91.6 Å²	91.6	29%	0.293	47%	0.471	S	S	.	.	H	α-helix	trans	-61.2	-37.4	176.8	-176.4	67.7	0	0	0	112.2	D77 L78 Y85	D77-L81 WeakPolarHBondContact O-CB 3.44Å; D77-L81 PolarHBondContact O-N 3.48Å; L78-L81 HydrophobicContact CD2-CD2 4.35Å; L81-Y85 WeakPolarHBondContact O-CB 3.38Å; L81-Y85 PolarHBondContact O-N 2.87Å
82	F	37	Very low	40.9	Very low	131 Å²	131	86.3 Å²	86.3	58%	0.575	44%	0.436	S	S	*	.	H	α-helix	trans	-70	-44.1	177.4	-154.9	-94.4	0	0	0	111.8	L78 V79 Q80 Y85 Q86	L78-F82 WeakPolarHBondContact O-CB 3.32Å; L78-F82 PolarHBondContact O-N 3.38Å; L78-F82 VanDerWaalsContact O-N 3.09Å; V79-F82 PolarHBondContact O-N 3.42Å; Q80-F82 VanDerWaalsContact C-N 3.3Å; Q80-F82 PolarHBondContact O-N 3.02Å; F82-Y85 PolarHBondContact O-N 3.25Å; F82-Q86 HydrophobicContact CD1-CG 4.23Å; F82-Q86 HydrophobicContact CE1-CG 4.27Å; F82-Q86 WeakPolarHBondContact O-CB 2.9Å; F82-Q86 WeakPolarHBondContact O-CG 3.36Å; F82-Q86 PolarHBondContact O-N 2.92Å
83	Q	42.1	Very low	41.9	Very low	108 Å²	108	83 Å²	83	51%	0.505	42%	0.418	S	S	.	.	H	α-helix	trans	-60.7	-44.2	173.5	-71.6	174.6	-23	0	0	111.8	V79 Q80 Q86 L87	V79-Q83 WeakPolarHBondContact O-CG 3.4Å; V79-Q83 PolarHBondContact O-N 3.22Å; Q80-Q83 PolarHBondContact O-N 3.4Å; Q83-Q86 PolarHBondContact O-N 3.49Å; Q83-L87 PolarHBondContact O-N 3.18Å
84	Y	45.5	Very low	42.9	Very low	19 Å²	19	76.4 Å²	76.4	8%	0.075	40%	0.396	C	S	.	.	H	α-helix	trans	-61.2	-45.3	176.6	176	-78.3	0	0	0	111.7	Q80 L87 A88 V427 T441 T445 L448	Q80-Y84 WeakPolarHBondContact O-CB 3.48Å; Q80-Y84 PolarHBondContact O-N 3.2Å; Y84-L87 PolarHBondContact O-N 2.99Å; Y84-A88 WeakPolarHBondContact O-CB 3.4Å; Y84-A88 PolarHBondContact O-N 3.11Å; Y84-V427 HydrophobicContact CD1-CG1 4.23Å; Y84-V427 HydrophobicContact CE1-CB 4.16Å; Y84-V427 HydrophobicContact CE1-CG1 3.48Å; Y84-V427 VanDerWaalsContact CE1-CG1 3.48Å; Y84-V427 HydrophobicContact CE1-CG2 3.55Å; Y84-T441 HydrophobicContact CD2-CG2 3.78Å; Y84-T441 HydrophobicContact CE2-CG2 4.26Å; Y84-T445 HydrophobicContact CD2-CG2 4.23Å; Y84-T445 VanDerWaalsContact CD2-OG1 3.3Å; Y84-T445 WeakPolarHBondContact CD2-OG1 3.15Å; Y84-T445 HydrophobicContact CE2-CG2 4.02Å; Y84-T445 WeakPolarHBondContact CE2-OG1 3.38Å; Y84-L448 WeakPolarHBondContact OH-CD1 3.34Å
85	Y	44.3	Very low	43.7	Very low	94 Å²	94	75.2 Å²	75.2	37%	0.369	39%	0.393	S	S	.	.	H	α-helix	trans	-62.1	-42.8	175.2	-179.3	-103.3	0	0	0	111.4	L81 F82 A88 M89	L81-Y85 WeakPolarHBondContact O-CB 3.38Å; L81-Y85 PolarHBondContact O-N 2.87Å; F82-Y85 PolarHBondContact O-N 3.25Å; Y85-A88 PolarHBondContact O-N 2.93Å; Y85-M89 HydrophobicContact CD1-CG 4.38Å; Y85-M89 HydrophobicContact CD1-SD 4.05Å; Y85-M89 HydrophobicContact CE1-CG 4.03Å; Y85-M89 HydrophobicContact CE1-SD 3.28Å; Y85-M89 WeakPolarHBondContact CE1-SD 3.35Å; Y85-M89 HydrophobicContact CE2-CG 4.33Å; Y85-M89 HydrophobicContact CE2-SD 4.37Å; Y85-M89 WeakPolarHBondContact O-CB 3.46Å; Y85-M89 WeakPolarHBondContact O-CG 3.15Å; Y85-M89 PolarHBondContact O-N 3.37Å; Y85-M89 PolarHBondContact OH-SD 2.91Å
86	Q	44.9	Very low	44.4	Very low	107 Å²	107	74.1 Å²	74.1	50%	0.5	38%	0.381	S	S	.	.	H	α-helix	trans	-63.6	-40	175.3	-74	179.3	-43.3	0	0	112.8	F82 Q83 L90	F82-Q86 HydrophobicContact CD1-CG 4.23Å; F82-Q86 HydrophobicContact CE1-CG 4.27Å; F82-Q86 WeakPolarHBondContact O-CB 2.9Å; F82-Q86 WeakPolarHBondContact O-CG 3.36Å; F82-Q86 PolarHBondContact O-N 2.92Å; Q83-Q86 PolarHBondContact O-N 3.49Å; Q86-L90 WeakPolarHBondContact O-CB 3.46Å; Q86-L90 PolarHBondContact O-N 3.24Å
87	L	49.5	Very low	44.9	Very low	80 Å²	80	75.5 Å²	75.5	42%	0.419	38%	0.376	S	S	.	.	H	α-helix	trans	-66.6	-46.3	175.3	-96	141.6	0	0	0	112.1	Q83 Y84 M89 L90 H91	Q83-L87 PolarHBondContact O-N 3.18Å; Y84-L87 PolarHBondContact O-N 2.99Å; L87-M89 PolarHBondContact O-N 3.1Å; L87-L90 PolarHBondContact O-N 3.27Å; L87-H91 PolarHBondContact O-CD2 3.45Å; L87-H91 PolarHBondContact O-N 3.38Å
88	A	47.4	Very low	45.4	Very low	20 Å²	20	75.9 Å²	75.9	17%	0.165	37%	0.372	C	S	.	.	H	α-helix	trans	-62.4	-43	176.3	0	0	0	0	0	111.6	Y84 Y85 F92 V423	Y84-A88 WeakPolarHBondContact O-CB 3.4Å; Y84-A88 PolarHBondContact O-N 3.11Å; Y85-A88 PolarHBondContact O-N 2.93Å; A88-F92 WeakPolarHBondContact O-CB 3.03Å; A88-F92 PolarHBondContact O-N 3.14Å; A88-V423 HydrophobicContact CB-CG1 3.93Å
89	M	49.7	Very low	45.8	Very low	38 Å²	38	72.9 Å²	72.9	19%	0.187	36%	0.361	C	S	.	.	H	α-helix	trans	-62.2	-43.6	171.1	-78.1	-161.8	78.4	0	0	112	Y85 L87 H91 F92 Q93 E420	Y85-M89 HydrophobicContact CD1-CG 4.38Å; Y85-M89 HydrophobicContact CD1-SD 4.05Å; Y85-M89 HydrophobicContact CE1-CG 4.03Å; Y85-M89 HydrophobicContact CE1-SD 3.28Å; Y85-M89 WeakPolarHBondContact CE1-SD 3.35Å; Y85-M89 HydrophobicContact CE2-CG 4.33Å; Y85-M89 HydrophobicContact CE2-SD 4.37Å; Y85-M89 WeakPolarHBondContact O-CB 3.46Å; Y85-M89 WeakPolarHBondContact O-CG 3.15Å; Y85-M89 PolarHBondContact O-N 3.37Å; Y85-M89 PolarHBondContact OH-SD 2.91Å; L87-M89 PolarHBondContact O-N 3.1Å; M89-H91 PolarHBondContact O-N 3.28Å; M89-F92 PolarHBondContact O-N 3.41Å; M89-Q93 WeakPolarHBondContact O-CB 3.41Å; M89-Q93 VanDerWaalsContact O-CG 3.27Å; M89-Q93 WeakPolarHBondContact O-CG 3.36Å; M89-Q93 PolarHBondContact O-N 3.38Å; M89-E420 HydrophobicContact CE-CG 4.13Å; M89-E420 VanDerWaalsContact CE-OE1 3.23Å; M89-E420 WeakPolarHBondContact CE-OE1 3.29Å
90	L	49.1	Very low	46.2	Very low	102 Å²	102	72.2 Å²	72.2	53%	0.534	36%	0.357	S	S	.	.	H	α-helix	trans	-63.5	-41.8	179.8	-175.5	72.1	0	0	0	111.3	Q86 L87 H94	Q86-L90 WeakPolarHBondContact O-CB 3.46Å; Q86-L90 PolarHBondContact O-N 3.24Å; L87-L90 PolarHBondContact O-N 3.27Å; L90-H94 WeakPolarHBondContact O-CB 3.34Å; L90-H94 PolarHBondContact O-N 3.09Å
91	H	49.9	Very low	46.4	Very low	78 Å²	78	75.3 Å²	75.3	36%	0.361	37%	0.372	S	S	.	.	H	α-helix	trans	-70.2	-37.9	177.9	-79.7	-139.9	0	0	0	111.6	L87 M89 H94 A95 E449	L87-H91 PolarHBondContact O-CD2 3.45Å; L87-H91 PolarHBondContact O-N 3.38Å; M89-H91 PolarHBondContact O-N 3.28Å; H91-H94 PolarHBondContact O-N 3.23Å; H91-A95 WeakPolarHBondContact O-CB 3.47Å; H91-A95 PolarHBondContact O-N 3.38Å; H91-E449 IonicContact CE1-OE1 3.43Å; H91-E449 IonicContact CE1-OE2 3.87Å; H91-E449 PolarHBondContact CE1-OE2 3.28Å; H91-E449 VanDerWaalsContact ND1-CD 3.31Å; H91-E449 IonicContact ND1-OE1 3.67Å; H91-E449 IonicContact ND1-OE2 3.74Å; H91-E449 PolarHBondContact ND1-OE2 3.03Å; H91-E449 VanDerWaalsContact ND1-OE2 3.14Å
92	F	52.7	Low	46.9	Very low	27 Å²	27	76.8 Å²	76.8	12%	0.118	39%	0.386	C	S	.	.	H	α-helix	trans	-66.9	-46.1	173.2	-168.3	-96.5	0	0	0	112	A88 M89 H94 A95 Q96 V423 L601	A88-F92 WeakPolarHBondContact O-CB 3.03Å; A88-F92 PolarHBondContact O-N 3.14Å; M89-F92 PolarHBondContact O-N 3.41Å; F92-H94 VanDerWaalsContact C-N 3.33Å; F92-H94 PolarHBondContact O-N 3.46Å; F92-A95 WeakPolarHBondContact O-CB 3.33Å; F92-A95 PolarHBondContact O-N 2.75Å; F92-Q96 HydrophobicContact CD1-CG 4.18Å; F92-Q96 VanDerWaalsContact CE1-CD 3.43Å; F92-Q96 HydrophobicContact CE1-CG 3.99Å; F92-Q96 WeakPolarHBondContact O-CG 3.41Å; F92-Q96 PolarHBondContact O-N 2.87Å; F92-V423 HydrophobicContact CB-CG2 4.27Å; F92-V423 HydrophobicContact CD2-CG2 3.78Å; F92-V423 HydrophobicContact CE2-CG2 4.27Å; F92-V423 HydrophobicContact CG-CG2 3.99Å; F92-L601 HydrophobicContact CE2-CD1 3.84Å; F92-L601 HydrophobicContact CZ-CD1 4.26Å
93	Q	50.2	Low	47.4	Very low	77 Å²	77	71.1 Å²	71.1	36%	0.36	36%	0.362	S	S	.	.	H	α-helix	trans	-63.5	-35.1	174.3	-75.9	-178.2	-7.7	0	0	112	M89 Q96 Q97	M89-Q93 WeakPolarHBondContact O-CB 3.41Å; M89-Q93 VanDerWaalsContact O-CG 3.27Å; M89-Q93 WeakPolarHBondContact O-CG 3.36Å; M89-Q93 PolarHBondContact O-N 3.38Å; Q93-Q96 PolarHBondContact O-N 3.49Å; Q93-Q97 WeakPolarHBondContact O-CB 3.4Å; Q93-Q97 WeakPolarHBondContact O-CG 3.48Å; Q93-Q97 PolarHBondContact O-N 2.97Å
94	H	52	Low	47.7	Very low	86 Å²	86	71.7 Å²	71.7	40%	0.398	37%	0.367	S	S	.	.	H	α-helix	trans	-73.4	-33.3	176.1	-177.2	-163.5	0	0	0	111.8	L90 H91 F92 K98	L90-H94 WeakPolarHBondContact O-CB 3.34Å; L90-H94 PolarHBondContact O-N 3.09Å; H91-H94 PolarHBondContact O-N 3.23Å; F92-H94 VanDerWaalsContact C-N 3.33Å; F92-H94 PolarHBondContact O-N 3.46Å; H94-K98 PolarHBondContact CE1-NZ 3.23Å; H94-K98 VanDerWaalsContact CE1-NZ 3.29Å; H94-K98 WeakPolarHBondContact NE2-CE 3.24Å; H94-K98 PolarHBondContact NE2-NZ 3.39Å; H94-K98 WeakPolarHBondContact O-CB 3.37Å; H94-K98 WeakPolarHBondContact O-CG 3.5Å; H94-K98 PolarHBondContact O-N 3.42Å
95	A	47.6	Very low	48	Very low	49 Å²	49	76 Å²	76	41%	0.405	39%	0.39	S	S	.	.	H	α-helix	trans	-65.9	-46.7	168.8	0	0	0	0	0	111.2	H91 F92 K98 A99	H91-A95 WeakPolarHBondContact O-CB 3.47Å; H91-A95 PolarHBondContact O-N 3.38Å; F92-A95 WeakPolarHBondContact O-CB 3.33Å; F92-A95 PolarHBondContact O-N 2.75Å; A95-K98 PolarHBondContact O-N 3.47Å; A95-A99 WeakPolarHBondContact O-CB 3.37Å; A95-A99 PolarHBondContact O-N 3.47Å
96	Q	49.5	Very low	48.7	Very low	55 Å²	55	71.7 Å²	71.7	26%	0.257	38%	0.375	S	S	.	.	H	α-helix	trans	-59.9	-45.3	172.6	-72.9	-178.3	-55.1	0	0	111.8	F92 Q93 K98 A99 V100	F92-Q96 HydrophobicContact CD1-CG 4.18Å; F92-Q96 VanDerWaalsContact CE1-CD 3.43Å; F92-Q96 HydrophobicContact CE1-CG 3.99Å; F92-Q96 WeakPolarHBondContact O-CG 3.41Å; F92-Q96 PolarHBondContact O-N 2.87Å; Q93-Q96 PolarHBondContact O-N 3.49Å; Q96-K98 PolarHBondContact O-N 3.06Å; Q96-A99 CarbonylContact O-C 3.55Å; Q96-A99 VanDerWaalsContact O-C 3.23Å; Q96-A99 WeakPolarHBondContact O-CA 3.35Å; Q96-A99 WeakPolarHBondContact O-CB 3.43Å; Q96-A99 PolarHBondContact O-N 2.96Å; Q96-V100 WeakPolarHBondContact O-CB 3.34Å; Q96-V100 VanDerWaalsContact O-CG2 3.26Å; Q96-V100 WeakPolarHBondContact O-CG2 3.44Å; Q96-V100 PolarHBondContact O-N 3.48Å
97	Q	45.2	Very low	49.6	Very low	96 Å²	96	70.4 Å²	70.4	45%	0.449	38%	0.375	S	S	.	.	H	α-helix	trans	-65.3	-39.3	179.5	-78.5	172.3	8.5	0	0	111.7	Q93 A99 V100 Q101	Q93-Q97 WeakPolarHBondContact O-CB 3.4Å; Q93-Q97 WeakPolarHBondContact O-CG 3.48Å; Q93-Q97 PolarHBondContact O-N 2.97Å; Q97-A99 VanDerWaalsContact C-N 3.3Å; Q97-A99 PolarHBondContact O-N 3.14Å; Q97-V100 CarbonylContact O-C 3.56Å; Q97-V100 PolarHBondContact O-N 2.97Å; Q97-Q101 VanDerWaalsContact O-CB 3.3Å; Q97-Q101 WeakPolarHBondContact O-CB 3.38Å; Q97-Q101 VanDerWaalsContact O-CG 3.3Å; Q97-Q101 WeakPolarHBondContact O-CG 3.3Å; Q97-Q101 PolarHBondContact O-N 2.68Å
98	K	48.6	Very low	50.3	Low	123 Å²	123	67.3 Å²	67.3	54%	0.535	36%	0.359	S	S	.	.	H	α-helix	trans	-63.3	-35.9	169.7	-80.6	171.8	167.7	160.6	0	112.4	H94 A95 Q96 V100 S102	H94-K98 PolarHBondContact CE1-NZ 3.23Å; H94-K98 VanDerWaalsContact CE1-NZ 3.29Å; H94-K98 WeakPolarHBondContact NE2-CE 3.24Å; H94-K98 PolarHBondContact NE2-NZ 3.39Å; H94-K98 WeakPolarHBondContact O-CB 3.37Å; H94-K98 WeakPolarHBondContact O-CG 3.5Å; H94-K98 PolarHBondContact O-N 3.42Å; A95-K98 PolarHBondContact O-N 3.47Å; Q96-K98 PolarHBondContact O-N 3.06Å; K98-V100 VanDerWaalsContact C-N 3.28Å; K98-V100 PolarHBondContact O-N 3.16Å; K98-S102 WeakPolarHBondContact O-CB 3.22Å; K98-S102 PolarHBondContact O-N 3.07Å; K98-S102 PolarHBondContact O-OG 2.62Å
99	A	44.1	Very low	51.1	Low	34 Å²	34	69.3 Å²	69.3	28%	0.281	37%	0.365	S	S	.	.	H	α-helix	trans	-77.1	-3.1	171.5	0	0	0	0	0	114.7	A95 Q96 Q97 N103	A95-A99 WeakPolarHBondContact O-CB 3.37Å; A95-A99 PolarHBondContact O-N 3.47Å; Q96-A99 CarbonylContact O-C 3.55Å; Q96-A99 VanDerWaalsContact O-C 3.23Å; Q96-A99 WeakPolarHBondContact O-CA 3.35Å; Q96-A99 WeakPolarHBondContact O-CB 3.43Å; Q96-A99 PolarHBondContact O-N 2.96Å; Q97-A99 VanDerWaalsContact C-N 3.3Å; Q97-A99 PolarHBondContact O-N 3.14Å; A99-N103 WeakPolarHBondContact O-CB 3.21Å; A99-N103 PolarHBondContact O-ND2 3.23Å
100	V	43.5	Very low	51.8	Low	57 Å²	57	74.1 Å²	74.1	35%	0.345	38%	0.381	S	S	.	.	H	α-helix	trans	-110.6	-39.7	177.2	166	0	0	0	0	111.5	Q96 Q97 K98 S102 N103 M104	Q96-V100 WeakPolarHBondContact O-CB 3.34Å; Q96-V100 VanDerWaalsContact O-CG2 3.26Å; Q96-V100 WeakPolarHBondContact O-CG2 3.44Å; Q96-V100 PolarHBondContact O-N 3.48Å; Q97-V100 CarbonylContact O-C 3.56Å; Q97-V100 PolarHBondContact O-N 2.97Å; K98-V100 VanDerWaalsContact C-N 3.28Å; K98-V100 PolarHBondContact O-N 3.16Å; V100-S102 PolarHBondContact O-N 3.06Å; V100-N103 CarbonylContact O-C 3.52Å; V100-N103 VanDerWaalsContact O-C 3.32Å; V100-N103 WeakPolarHBondContact O-CA 3.45Å; V100-N103 WeakPolarHBondContact O-CB 3.48Å; V100-N103 PolarHBondContact O-N 3.33Å; V100-M104 HydrophobicContact CG1-CE 3.96Å
101	Q	44.4	Very low	52.4	Low	145 Å²	145	71.5 Å²	71.5	68%	0.678	37%	0.369	S	S	*	.	H	α-helix	trans	-71.6	-19	177	-70.5	168.8	-20.1	0	0	112.6	Q97 N103	Q97-Q101 VanDerWaalsContact O-CB 3.3Å; Q97-Q101 WeakPolarHBondContact O-CB 3.38Å; Q97-Q101 VanDerWaalsContact O-CG 3.3Å; Q97-Q101 WeakPolarHBondContact O-CG 3.3Å; Q97-Q101 PolarHBondContact O-N 2.68Å; Q101-N103 VanDerWaalsContact C-N 3.29Å
102	S	48.5	Very low	52.9	Low	86 Å²	86	68.9 Å²	68.9	60%	0.601	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	9.6	167.9	55.1	0	0	0	0	113.4	K98 V100	K98-S102 WeakPolarHBondContact O-CB 3.22Å; K98-S102 PolarHBondContact O-N 3.07Å; K98-S102 PolarHBondContact O-OG 2.62Å; V100-S102 PolarHBondContact O-N 3.06Å
103	N	46.1	Very low	53.2	Low	12 Å²	12	70.5 Å²	70.5	6%	0.064	37%	0.372	C	S	.	.			trans	-156.4	33	-148	-171.6	35.5	0	0	0	115.5	A99 V100 Q101 D105 S106 R599	A99-N103 WeakPolarHBondContact O-CB 3.21Å; A99-N103 PolarHBondContact O-ND2 3.23Å; V100-N103 CarbonylContact O-C 3.52Å; V100-N103 VanDerWaalsContact O-C 3.32Å; V100-N103 WeakPolarHBondContact O-CA 3.45Å; V100-N103 WeakPolarHBondContact O-CB 3.48Å; V100-N103 PolarHBondContact O-N 3.33Å; Q101-N103 VanDerWaalsContact C-N 3.29Å; N103-D105 PolarHBondContact O-N 3.09Å; N103-S106 WeakPolarHBondContact OD1-CB 3.3Å; N103-R599 WeakPolarHBondContact ND2-CD 3.24Å; N103-R599 PolarHBondContact ND2-NE 2.85Å; N103-R599 PolarHBondContact OD1-NE 3.42Å; N103-R599 VanDerWaalsContact OD1-NE 3.12Å; N103-R599 PolarHBondContact OD1-NH2 2.81Å; N103-R599 VanDerWaalsContact OD1-NH2 3.12Å
104	M	48	Very low	53.7	Low	121 Å²	121	71.3 Å²	71.3	60%	0.596	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-15.4	168.5	-71.1	-68	143.1	0	0	112.7	V100	V100-M104 HydrophobicContact CG1-CE 3.96Å
105	D	52.2	Low	53.8	Low	108 Å²	108	69.1 Å²	69.1	58%	0.578	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	4	-167.8	-66.7	-61.8	0	0	0	116.6	N103 R110	N103-D105 PolarHBondContact O-N 3.09Å; D105-R110 IonicContact OD1-CZ 2.84Å; D105-R110 IonicContact OD1-NE 3.6Å; D105-R110 IonicContact OD1-NH2 2.73Å; D105-R110 PolarHBondContact OD1-NH2 3.12Å
106	S	60	Low	54	Low	5 Å²	5	68.1 Å²	68.1	4%	0.035	36%	0.362	C	S	.	.			trans	-56.7	131.4	175.9	155.2	0	0	0	0	111.1	N103 L108 H109 R110 E510	N103-S106 WeakPolarHBondContact OD1-CB 3.3Å; S106-L108 VanDerWaalsContact C-N 3.26Å; S106-L108 PolarHBondContact O-N 3.16Å; S106-L108 PolarHBondContact OG-N 2.99Å; S106-L108 VanDerWaalsContact OG-N 3.12Å; S106-H109 PolarHBondContact O-N 3.12Å; S106-H109 VanDerWaalsContact O-N 3.14Å; S106-H109 PolarHBondContact OG-N 3.34Å; S106-R110 WeakPolarHBondContact O-CB 3.25Å; S106-R110 WeakPolarHBondContact O-CG 3.23Å; S106-R110 PolarHBondContact O-N 2.75Å; S106-E510 WeakPolarHBondContact CB-OE1 3.35Å; S106-E510 PolarHBondContact OG-OE1 3.33Å
107	P	64.5	Low	54.2	Low	79 Å²	79	68.3 Å²	68.3	51%	0.513	37%	0.37	S	S	.	.	H	α-helix	trans	-58.3	-37.4	173	-26.7	36.4	0	0	0	112.8	V111 L506	P107-V111 WeakPolarHBondContact O-CB 3.47Å; P107-V111 VanDerWaalsContact O-CG2 3.32Å; P107-V111 WeakPolarHBondContact O-CG2 3.39Å; P107-V111 PolarHBondContact O-N 2.81Å; P107-L506 HydrophobicContact CB-CD2 3.82Å
108	L	63.5	Low	54.5	Low	16 Å²	16	65.3 Å²	65.3	8%	0.084	36%	0.362	C	S	.	.	H	α-helix	trans	-67.6	-43.5	174.1	-174.9	119.3	0	0	0	111	S106 R110 V111 L112 V502 L506 E510	S106-L108 VanDerWaalsContact C-N 3.26Å; S106-L108 PolarHBondContact O-N 3.16Å; S106-L108 PolarHBondContact OG-N 2.99Å; S106-L108 VanDerWaalsContact OG-N 3.12Å; L108-R110 PolarHBondContact O-N 3.12Å; L108-V111 PolarHBondContact O-N 3.37Å; L108-L112 HydrophobicContact CD2-CD1 3.75Å; L108-L112 HydrophobicContact CD2-CG 4.45Å; L108-L112 HydrophobicContact CG-CD1 4.29Å; L108-L112 HydrophobicContact CG-CG 4.47Å; L108-L112 WeakPolarHBondContact O-CB 3.45Å; L108-L112 VanDerWaalsContact O-CG 3.25Å; L108-L112 WeakPolarHBondContact O-CG 3.43Å; L108-L112 PolarHBondContact O-N 2.7Å; L108-V502 HydrophobicContact CD1-CG1 4.47Å; L108-L506 HydrophobicContact CD1-CB 4.02Å; L108-E510 HydrophobicContact CB-CG 3.74Å; L108-E510 HydrophobicContact CD1-CG 4.32Å; L108-E510 HydrophobicContact CD2-CG 4.31Å; L108-E510 HydrophobicContact CG-CG 4.34Å
109	H	63.5	Low	54.3	Low	62 Å²	62	62.3 Å²	62.3	29%	0.287	35%	0.35	S	S	.	.	H	α-helix	trans	-61.6	-42.7	175.3	-175.1	-106	0	0	0	112.3	S106 L112 S113	S106-H109 PolarHBondContact O-N 3.12Å; S106-H109 VanDerWaalsContact O-N 3.14Å; S106-H109 PolarHBondContact OG-N 3.34Å; H109-L112 PolarHBondContact O-N 2.87Å; H109-S113 WeakPolarHBondContact O-CB 3.34Å; H109-S113 PolarHBondContact O-N 3.01Å
110	R	63.7	Low	54.3	Low	139 Å²	139	64.4 Å²	64.4	53%	0.525	36%	0.362	S	S	.	.	H	α-helix	trans	-62.6	-41.2	174.3	-73.1	177.1	172	-146.4	4.8	112.1	D105 S106 L108 T114	D105-R110 IonicContact OD1-CZ 2.84Å; D105-R110 IonicContact OD1-NE 3.6Å; D105-R110 IonicContact OD1-NH2 2.73Å; D105-R110 PolarHBondContact OD1-NH2 3.12Å; S106-R110 WeakPolarHBondContact O-CB 3.25Å; S106-R110 WeakPolarHBondContact O-CG 3.23Å; S106-R110 PolarHBondContact O-N 2.75Å; L108-R110 PolarHBondContact O-N 3.12Å; R110-T114 WeakPolarHBondContact O-CB 3.41Å; R110-T114 PolarHBondContact O-N 2.57Å; R110-T114 PolarHBondContact O-OG1 3Å
111	V	62.7	Low	54.2	Low	47 Å²	47	68.2 Å²	68.2	29%	0.285	38%	0.376	S	S	.	.	H	α-helix	trans	-65.4	-47.5	173.7	164.7	0	0	0	0	111.1	P107 L108 S113 T114 L115 L506	P107-V111 WeakPolarHBondContact O-CB 3.47Å; P107-V111 VanDerWaalsContact O-CG2 3.32Å; P107-V111 WeakPolarHBondContact O-CG2 3.39Å; P107-V111 PolarHBondContact O-N 2.81Å; L108-V111 PolarHBondContact O-N 3.37Å; V111-S113 VanDerWaalsContact C-N 3.34Å; V111-S113 PolarHBondContact O-N 2.73Å; V111-T114 PolarHBondContact O-N 3.33Å; V111-L115 HydrophobicContact CG1-CD1 3.62Å; V111-L115 HydrophobicContact CG1-CG 4.12Å; V111-L115 WeakPolarHBondContact O-CB 3.15Å; V111-L115 WeakPolarHBondContact O-CG 3.42Å; V111-L115 PolarHBondContact O-N 3.42Å; V111-L506 HydrophobicContact CB-CD1 4.21Å; V111-L506 HydrophobicContact CG1-CD1 4.29Å; V111-L506 HydrophobicContact CG2-CD1 3.84Å
112	L	60	Low	54.2	Low	22 Å²	22	67.7 Å²	67.7	12%	0.115	37%	0.374	C	S	.	.	H	α-helix	trans	-55.9	-48.1	174.9	-69.2	172.3	0	0	0	111.3	L108 H109 T114 L115 V116 A411 L415 L498	L108-L112 HydrophobicContact CD2-CD1 3.75Å; L108-L112 HydrophobicContact CD2-CG 4.45Å; L108-L112 HydrophobicContact CG-CD1 4.29Å; L108-L112 HydrophobicContact CG-CG 4.47Å; L108-L112 WeakPolarHBondContact O-CB 3.45Å; L108-L112 VanDerWaalsContact O-CG 3.25Å; L108-L112 WeakPolarHBondContact O-CG 3.43Å; L108-L112 PolarHBondContact O-N 2.7Å; H109-L112 PolarHBondContact O-N 2.87Å; L112-T114 PolarHBondContact O-N 2.97Å; L112-L115 PolarHBondContact O-N 2.93Å; L112-V116 VanDerWaalsContact O-CG2 3.23Å; L112-V116 WeakPolarHBondContact O-CG2 3.15Å; L112-V116 PolarHBondContact O-N 3.05Å; L112-A411 HydrophobicContact CD2-CB 4.11Å; L112-L415 HydrophobicContact CD1-CD1 4.09Å; L112-L498 HydrophobicContact CD2-CD1 3.35Å
113	S	59.3	Low	53.7	Low	61 Å²	61	69.4 Å²	69.4	43%	0.427	37%	0.367	S	S	.	.	H	α-helix	trans	-60.6	-44.7	176.9	178.9	0	0	0	0	112.3	H109 V111 L115 V116 S117	H109-S113 WeakPolarHBondContact O-CB 3.34Å; H109-S113 PolarHBondContact O-N 3.01Å; V111-S113 VanDerWaalsContact C-N 3.34Å; V111-S113 PolarHBondContact O-N 2.73Å; S113-L115 PolarHBondContact O-N 3.49Å; S113-V116 WeakPolarHBondContact O-CB 3.3Å; S113-V116 PolarHBondContact O-N 2.81Å; S113-S117 PolarHBondContact O-N 2.85Å; S113-S117 PolarHBondContact O-OG 3.29Å
114	T	60.3	Low	53.3	Low	95 Å²	95	71.3 Å²	71.3	58%	0.583	38%	0.384	S	S	*	.	H	α-helix	trans	-64.7	-40.6	177.2	-55.3	0	0	0	0	111.8	R110 V111 L112 V116 S117 A118	R110-T114 WeakPolarHBondContact O-CB 3.41Å; R110-T114 PolarHBondContact O-N 2.57Å; R110-T114 PolarHBondContact O-OG1 3Å; V111-T114 PolarHBondContact O-N 3.33Å; L112-T114 PolarHBondContact O-N 2.97Å; T114-V116 PolarHBondContact O-N 3.45Å; T114-S117 PolarHBondContact O-N 3.06Å; T114-A118 WeakPolarHBondContact O-CB 3.26Å; T114-A118 PolarHBondContact O-N 3.46Å
115	L	55.4	Low	52.8	Low	39 Å²	39	69.4 Å²	69.4	20%	0.204	38%	0.383	C	S	.	.	H	α-helix	trans	-63.7	-31.7	176.2	-70.5	170.1	0	0	0	111.6	V111 L112 S113 K500	V111-L115 HydrophobicContact CG1-CD1 3.62Å; V111-L115 HydrophobicContact CG1-CG 4.12Å; V111-L115 WeakPolarHBondContact O-CB 3.15Å; V111-L115 WeakPolarHBondContact O-CG 3.42Å; V111-L115 PolarHBondContact O-N 3.42Å; L112-L115 PolarHBondContact O-N 2.93Å; S113-L115 PolarHBondContact O-N 3.49Å; L115-K500 HydrophobicContact CB-CD 4.13Å; L115-K500 HydrophobicContact CD2-CB 4.17Å; L115-K500 HydrophobicContact CD2-CD 3.59Å; L115-K500 HydrophobicContact CG-CD 4.36Å; L115-K500 PolarHBondContact O-NZ 3.16Å
116	V	51.9	Low	52	Low	28 Å²	28	67.9 Å²	67.9	17%	0.17	38%	0.38	C	S	.	.	H	α-helix	trans	-75.5	-48.2	175.4	170.6	0	0	0	0	111.4	L112 S113 T114 A118 Q119 S120 D410 A411	L112-V116 VanDerWaalsContact O-CG2 3.23Å; L112-V116 WeakPolarHBondContact O-CG2 3.15Å; L112-V116 PolarHBondContact O-N 3.05Å; S113-V116 WeakPolarHBondContact O-CB 3.3Å; S113-V116 PolarHBondContact O-N 2.81Å; T114-V116 PolarHBondContact O-N 3.45Å; V116-A118 VanDerWaalsContact C-N 3.34Å; V116-A118 PolarHBondContact O-N 3.05Å; V116-Q119 WeakPolarHBondContact O-CA 3.21Å; V116-Q119 WeakPolarHBondContact O-CB 3.48Å; V116-Q119 PolarHBondContact O-N 3.03Å; V116-S120 PolarHBondContact O-N 3.34Å; V116-D410 HydrophobicContact CG1-CB 4.2Å; V116-D410 HydrophobicContact CG2-CB 4.43Å; V116-D410 WeakPolarHBondContact CG2-OD1 3.16Å; V116-A411 HydrophobicContact CG2-CB 3.76Å
117	S	53.2	Low	51	Low	59 Å²	59	72.4 Å²	72.4	41%	0.413	40%	0.403	S	S	.	.	H	α-helix	trans	-55.8	-46.1	175.7	-63.3	0	0	0	0	112.1	S113 T114 Q119 S120 E121	S113-S117 PolarHBondContact O-N 2.85Å; S113-S117 PolarHBondContact O-OG 3.29Å; T114-S117 PolarHBondContact O-N 3.06Å; S117-Q119 PolarHBondContact O-N 3.41Å; S117-Q119 VanDerWaalsContact O-N 3.11Å; S117-S120 PolarHBondContact O-N 3.28Å; S117-S120 VanDerWaalsContact O-N 3.1Å; S117-S120 PolarHBondContact O-OG 2.71Å; S117-E121 PolarHBondContact O-N 2.71Å
118	A	50.7	Low	49.8	Very low	34 Å²	34	73.8 Å²	73.8	28%	0.281	41%	0.405	S	S	.	.	H	α-helix	trans	-61.5	-23.3	176.2	0	0	0	0	0	113.4	T114 V116 Q122	T114-A118 WeakPolarHBondContact O-CB 3.26Å; T114-A118 PolarHBondContact O-N 3.46Å; V116-A118 VanDerWaalsContact C-N 3.34Å; V116-A118 PolarHBondContact O-N 3.05Å; A118-Q122 PolarHBondContact O-N 2.8Å
119	Q	45.5	Very low	48.7	Very low	60 Å²	60	75.5 Å²	75.5	28%	0.28	42%	0.418	S	S	.	.	H	α-helix	trans	-83.2	-21.8	178.6	-128	167.1	7.7	0	0	113.2	V116 S117	V116-Q119 WeakPolarHBondContact O-CA 3.21Å; V116-Q119 WeakPolarHBondContact O-CB 3.48Å; V116-Q119 PolarHBondContact O-N 3.03Å; S117-Q119 PolarHBondContact O-N 3.41Å; S117-Q119 VanDerWaalsContact O-N 3.11Å
120	S	43.7	Very low	47.5	Very low	78 Å²	78	76.3 Å²	76.3	55%	0.545	43%	0.431	S	S	.	.	H	α-helix	trans	-80.3	-43.2	171.2	69.2	0	0	0	0	111.4	V116 S117 R123 A124	V116-S120 PolarHBondContact O-N 3.34Å; S117-S120 PolarHBondContact O-N 3.28Å; S117-S120 VanDerWaalsContact O-N 3.1Å; S117-S120 PolarHBondContact O-OG 2.71Å; S120-R123 PolarHBondContact O-N 3.03Å; S120-A124 WeakPolarHBondContact O-CB 3.24Å; S120-A124 PolarHBondContact O-N 2.91Å
121	E	41.5	Very low	46.1	Very low	137 Å²	137	76.1 Å²	76.1	64%	0.64	44%	0.44	S	S	*	.	H	α-helix	trans	-61.6	-47.8	-178.9	-68	177.7	161.6	0	0	112.8	S117 R123 A124 S125	S117-E121 PolarHBondContact O-N 2.71Å; E121-R123 VanDerWaalsContact C-N 3.3Å; E121-R123 PolarHBondContact O-N 3.41Å; E121-A124 PolarHBondContact O-N 3.24Å; E121-S125 PolarHBondContact O-N 2.9Å
122	Q	44.7	Very low	44.9	Very low	133 Å²	133	80.6 Å²	80.6	62%	0.621	46%	0.461	S	S	*	.	H	α-helix	trans	-64.6	-34.2	178.5	-72.2	-177.4	-44.1	0	0	112.3	A118 C126	A118-Q122 PolarHBondContact O-N 2.8Å; Q122-C126 PolarHBondContact O-N 3.21Å; Q122-C126 VanDerWaalsContact O-N 3.14Å; Q122-C126 PolarHBondContact O-SG 3.31Å; Q122-C126 VanDerWaalsContact O-SG 3.38Å
123	R	37.9	Very low	43.9	Very low	122 Å²	122	89.3 Å²	89.3	46%	0.46	49%	0.493	S	S	.	.	H	α-helix	trans	-74.5	-36.8	174.9	-85	177.5	156.5	165.3	-12.2	112.7	S120 E121 S125 C126 I127 H409	S120-R123 PolarHBondContact O-N 3.03Å; E121-R123 VanDerWaalsContact C-N 3.3Å; E121-R123 PolarHBondContact O-N 3.41Å; R123-S125 VanDerWaalsContact C-N 3.33Å; R123-S125 PolarHBondContact O-N 2.93Å; R123-C126 PolarHBondContact O-N 2.92Å; R123-I127 WeakPolarHBondContact O-CB 3.48Å; R123-I127 WeakPolarHBondContact O-CD1 3.48Å; R123-I127 VanDerWaalsContact O-CG1 3.24Å; R123-I127 WeakPolarHBondContact O-CG1 3.2Å; R123-I127 PolarHBondContact O-N 3.43Å; R123-H409 PolarHBondContact NH1-ND1 2.94Å
124	A	36.6	Very low	42.7	Very low	52 Å²	52	97.5 Å²	97.5	43%	0.43	51%	0.514	S	S	.	.	H	α-helix	trans	-58.8	-45.4	172.5	0	0	0	0	0	111.2	S120 E121 I127 L128	S120-A124 WeakPolarHBondContact O-CB 3.24Å; S120-A124 PolarHBondContact O-N 2.91Å; E121-A124 PolarHBondContact O-N 3.24Å; A124-I127 PolarHBondContact O-N 2.92Å; A124-L128 WeakPolarHBondContact O-CB 3.46Å; A124-L128 PolarHBondContact O-N 3.23Å
125	S	37.8	Very low	41.1	Very low	81 Å²	81	100.2 Å²	100.2	57%	0.566	53%	0.525	S	S	*	.	H	α-helix	trans	-59.2	-51.6	175.9	-171.6	0	0	0	0	112.4	E121 R123 I127 L128 S129	E121-S125 PolarHBondContact O-N 2.9Å; R123-S125 VanDerWaalsContact C-N 3.33Å; R123-S125 PolarHBondContact O-N 2.93Å; S125-I127 PolarHBondContact O-N 3.36Å; S125-L128 PolarHBondContact O-N 3.06Å; S125-S129 WeakPolarHBondContact O-CB 3.25Å; S125-S129 PolarHBondContact O-N 2.91Å; S125-S129 PolarHBondContact O-OG 3.36Å
126	C	35.4	Very low	40.1	Very low	76 Å²	76	103.3 Å²	103.3	51%	0.514	55%	0.548	S	S	.	.	H	α-helix	trans	-68.2	-29.8	-178.1	-68.6	0	0	0	0	114.2	Q122 R123 S129 S130	Q122-C126 PolarHBondContact O-N 3.21Å; Q122-C126 VanDerWaalsContact O-N 3.14Å; Q122-C126 PolarHBondContact O-SG 3.31Å; Q122-C126 VanDerWaalsContact O-SG 3.38Å; R123-C126 PolarHBondContact O-N 2.92Å; C126-S129 WeakPolarHBondContact CA-OG 3.28Å; C126-S129 PolarHBondContact O-OG 2.99Å; C126-S129 VanDerWaalsContact O-OG 3.09Å; C126-S130 WeakPolarHBondContact O-CB 3.22Å; C126-S130 PolarHBondContact O-N 3.01Å; C126-S130 PolarHBondContact O-OG 2.75Å
127	I	39	Very low	39	Very low	101 Å²	101	113.6 Å²	113.6	52%	0.518	58%	0.584	S	S	.	*	H	α-helix	trans	-75.5	-45.5	177.5	-69.5	168	0	0	0	110.1	R123 A124 S125 S129 S130 L131	R123-I127 WeakPolarHBondContact O-CB 3.48Å; R123-I127 WeakPolarHBondContact O-CD1 3.48Å; R123-I127 VanDerWaalsContact O-CG1 3.24Å; R123-I127 WeakPolarHBondContact O-CG1 3.2Å; R123-I127 PolarHBondContact O-N 3.43Å; A124-I127 PolarHBondContact O-N 2.92Å; S125-I127 PolarHBondContact O-N 3.36Å; I127-S129 PolarHBondContact O-N 2.69Å; I127-S130 PolarHBondContact O-N 3.48Å; I127-L131 HydrophobicContact CG2-CD1 3.67Å; I127-L131 HydrophobicContact CG2-CG 4.32Å; I127-L131 WeakPolarHBondContact O-CG 3.46Å; I127-L131 PolarHBondContact O-N 3.27Å
128	L	39	Very low	37.9	Very low	108 Å²	108	116.3 Å²	116.3	57%	0.565	60%	0.602	S	S	*	*	H	α-helix	trans	-60	-44.7	173.8	-83.1	161.1	0	0	0	111.9	A124 S125 S130 L132	A124-L128 WeakPolarHBondContact O-CB 3.46Å; A124-L128 PolarHBondContact O-N 3.23Å; S125-L128 PolarHBondContact O-N 3.06Å; L128-S130 PolarHBondContact O-N 3.22Å; L128-S130 VanDerWaalsContact O-N 3.16Å; L128-L132 HydrophobicContact CD2-CD1 4.29Å; L128-L132 WeakPolarHBondContact O-CB 3.48Å; L128-L132 WeakPolarHBondContact O-CG 3.46Å; L128-L132 PolarHBondContact O-N 3.13Å; L128-L132 VanDerWaalsContact O-N 3.14Å
129	S	40	Very low	37.1	Very low	51 Å²	51	118.7 Å²	118.7	36%	0.357	62%	0.616	S	S	.	*	H	α-helix	trans	-66.3	-16.5	-179.9	69.3	0	0	0	0	114.6	S125 C126 I127 R133	S125-S129 WeakPolarHBondContact O-CB 3.25Å; S125-S129 PolarHBondContact O-N 2.91Å; S125-S129 PolarHBondContact O-OG 3.36Å; C126-S129 WeakPolarHBondContact CA-OG 3.28Å; C126-S129 PolarHBondContact O-OG 2.99Å; C126-S129 VanDerWaalsContact O-OG 3.09Å; I127-S129 PolarHBondContact O-N 2.69Å; S129-R133 WeakPolarHBondContact O-CD 3.5Å; S129-R133 PolarHBondContact O-NE 2.85Å
130	S	38.7	Very low	36.6	Very low	79 Å²	79	124.3 Å²	124.3	55%	0.552	64%	0.642	S	S	*	*	H	α-helix	trans	-101.8	-34.3	-177.9	-56.9	0	0	0	0	112.7	C126 I127 L128	C126-S130 WeakPolarHBondContact O-CB 3.22Å; C126-S130 PolarHBondContact O-N 3.01Å; C126-S130 PolarHBondContact O-OG 2.75Å; I127-S130 PolarHBondContact O-N 3.48Å; L128-S130 PolarHBondContact O-N 3.22Å; L128-S130 VanDerWaalsContact O-N 3.16Å
131	L	35.3	Very low	36.2	Very low	135 Å²	135	125.6 Å²	125.6	71%	0.707	65%	0.651	S	S	*	*	H	α-helix	trans	-75.3	-32.1	175.1	-68.4	174	0	0	0	112.2	I127 R133	I127-L131 HydrophobicContact CG2-CD1 3.67Å; I127-L131 HydrophobicContact CG2-CG 4.32Å; I127-L131 WeakPolarHBondContact O-CG 3.46Å; I127-L131 PolarHBondContact O-N 3.27Å; L131-R133 PolarHBondContact O-N 3.46Å
132	L	37.4	Very low	35.9	Very low	141 Å²	141	124.7 Å²	124.7	74%	0.738	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	25	178.4	-67.1	169.2	0	0	0	114.4	L128	L128-L132 HydrophobicContact CD2-CD1 4.29Å; L128-L132 WeakPolarHBondContact O-CB 3.48Å; L128-L132 WeakPolarHBondContact O-CG 3.46Å; L128-L132 PolarHBondContact O-N 3.13Å; L128-L132 VanDerWaalsContact O-N 3.14Å
133	R	38	Very low	35.6	Very low	205 Å²	205	123.9 Å²	123.9	77%	0.774	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136	16.7	-176.7	-64	-170.8	-167.6	-108.6	2.8	115.5	S129 L131	S129-R133 WeakPolarHBondContact O-CD 3.5Å; S129-R133 PolarHBondContact O-NE 2.85Å; L131-R133 PolarHBondContact O-N 3.46Å
134	R	34.4	Very low	35.6	Very low	233 Å²	233	125 Å²	125	88%	0.879	69%	0.687	S	S	*	*			trans	-140.2	75.8	175.3	-71.8	-167.4	178.7	-175.2	0.5	113.7
135	D	28.2	Very low	35.5	Very low	152 Å²	152	126.8 Å²	126.8	81%	0.813	70%	0.701	S	S	*	*			trans	-71.9	165.5	138	-96	-55	0	0	0	109.5
136	P	32.7	Very low	35.5	Very low	105 Å²	105	128.1 Å²	128.1	68%	0.682	71%	0.711	S	S	*	*			cis	-130.2	159	14.7	39.1	-23.7	0	0	0	116.3
137	W	30.6	Very low	35.4	Very low	244 Å²	244	130.4 Å²	130.4	92%	0.924	72%	0.723	S	S	*	*				-163.4	117.6	122.7	-104	20.7	0	0	0	111.3
138	C	29.3	Very low	35.4	Very low	116 Å²	116	135.5 Å²	135.5	78%	0.784	74%	0.741	S	S	*	*			trans	-74.1	148	172.3	-152.3	0	0	0	0	109
139	S	34.7	Very low	35.3	Very low	84 Å²	84	136.1 Å²	136.1	59%	0.587	75%	0.754	S	S	*	*				-178	135.4	86.1	-74.7	0	0	0	0	113.7
140	Q	33.4	Very low	35.2	Very low	178 Å²	178	139.7 Å²	139.7	83%	0.832	78%	0.777	S	S	*	*			trans	64.5	147.4	143.9	-61.1	167.4	62.8	0	0	117.1
141	S	35.6	Very low	35.1	Very low	105 Å²	105	140.1 Å²	140.1	73%	0.734	79%	0.785	S	S	*	*			cis	-168.1	164.8	-7.3	45.3	0	0	0	0	106.4
142	S	35.9	Very low	35	Very low	117 Å²	117	140.6 Å²	140.6	82%	0.818	79%	0.788	S	S	*	*			cis	-161	165.8	-19.6	-90.6	0	0	0	0	107.4
143	P	38.4	Very low	34.6	Very low	117 Å²	117	141.4 Å²	141.4	76%	0.76	79%	0.792	S	S	*	*			trans	-118.4	156.7	-160.3	40.4	-31.2	0	0	0	117.2
144	T	37.8	Very low	34.3	Very low	145 Å²	145	139.6 Å²	139.6	89%	0.89	80%	0.797	S	S	*	*			trans	-168.2	160.8	154.8	39.6	0	0	0	0	110.2
145	A	35.2	Very low	34.4	Very low	89 Å²	89	134.3 Å²	134.3	74%	0.736	79%	0.793	S	S	*	*			cis	-170.8	163	-32.5	0	0	0	0	0	110
146	S	36.8	Very low	34.5	Very low	110 Å²	110	131.9 Å²	131.9	77%	0.769	79%	0.788	S	S	*	*			trans	77.8	109.4	172.9	-152.8	0	0	0	0	116.2
147	T	33.3	Very low	34.4	Very low	123 Å²	123	132.9 Å²	132.9	76%	0.755	80%	0.797	S	S	*	*				86.4	104.2	52.3	-57	0	0	0	0	114.7
148	K	38.9	Very low	34.7	Very low	208 Å²	208	126.1 Å²	126.1	90%	0.904	79%	0.793	S	S	*	*			trans	-173.6	147.9	134.5	-101.9	160.8	-171.2	179.5	0	113.7
149	S	37.7	Very low	34.8	Very low	121 Å²	121	125.2 Å²	125.2	85%	0.846	79%	0.789	S	S	*	*			trans	-43.3	166.3	-166.9	-61.1	0	0	0	0	122
150	P	37.1	Very low	34.6	Very low	127 Å²	127	130.7 Å²	130.7	83%	0.825	80%	0.802	S	S	*	*			trans	-100.9	161.6	-173.1	39.8	-36	0	0	0	115.7
151	A	36.4	Very low	34.6	Very low	87 Å²	87	127.7 Å²	127.7	72%	0.719	80%	0.798	S	S	*	*			trans	-159.4	142.9	155.8	0	0	0	0	0	112.6
152	N	34.3	Very low	34.4	Very low	145 Å²	145	129.6 Å²	129.6	78%	0.775	81%	0.805	S	S	*	*			trans	58.1	105	153.5	-57.2	-17.4	0	0	0	122
153	L	27.8	Very low	34.4	Very low	159 Å²	159	133.9 Å²	133.9	83%	0.832	81%	0.81	S	S	*	*				44.4	137.6	117.3	-62.3	164.9	0	0	0	121.7
154	L	32.4	Very low	34.1	Very low	166 Å²	166	139.7 Å²	139.7	87%	0.869	82%	0.816	S	S	*	*			trans	122.3	164.4	163	-69.6	162.9	0	0	0	113
155	P	36.3	Very low	33.9	Very low	123 Å²	123	137.2 Å²	137.2	80%	0.799	81%	0.81	S	S	*	*				-134.1	-159.6	-50.5	40.8	-24.7	0	0	0	112.5
156	S	29.3	Very low	33.7	Very low	101 Å²	101	141 Å²	141	71%	0.706	81%	0.811	S	S	*	*			trans	-113.8	158.5	-175.1	56.4	0	0	0	0	115.8
157	S	32.4	Very low	33.5	Very low	125 Å²	125	142.4 Å²	142.4	87%	0.874	81%	0.814	S	S	*	*			trans	74.6	152.4	158	73.6	0	0	0	0	120.1
158	A	35.1	Very low	33.4	Very low	102 Å²	102	143.7 Å²	143.7	84%	0.843	81%	0.811	S	S	*	*			trans	-148.1	158.4	178.4	0	0	0	0	0	111.5
159	S	32.9	Very low	33	Very low	98 Å²	98	139.2 Å²	139.2	69%	0.685	81%	0.807	S	S	*	*			trans	-108.5	174.1	-166	-57.1	0	0	0	0	114
160	F	29	Very low	32.9	Very low	199 Å²	199	142 Å²	142	87%	0.873	81%	0.808	S	S	*	*				166	177.2	87	-84.9	-68.6	0	0	0	109.6
161	P	34.3	Very low	32.8	Very low	114 Å²	114	141.7 Å²	141.7	74%	0.74	81%	0.806	S	S	*	*			cis	-129.9	-173.4	-39.1	37.6	-20.5	0	0	0	112.7
162	T	30.9	Very low	33	Very low	145 Å²	145	143.1 Å²	143.1	89%	0.89	80%	0.801	S	S	*	*			trans	-140.8	149.5	-179.3	-47.7	0	0	0	0	113.5
163	F	35.9	Very low	33.3	Very low	208 Å²	208	140 Å²	140	91%	0.912	80%	0.795	S	S	*	*			trans	-103.5	151.5	176.2	-140.2	-94	0	0	0	111.8
164	R	31.7	Very low	34.1	Very low	238 Å²	238	137.1 Å²	137.1	90%	0.898	79%	0.788	S	S	*	*			trans	-141.7	141.7	-175.4	-167.6	-180	-169.8	-179.3	5.2	113
165	A	34.8	Very low	34.5	Very low	93 Å²	93	131.8 Å²	131.8	77%	0.769	77%	0.768	S	S	*	*			trans	-125.5	160.4	170.4	0	0	0	0	0	112
166	K	31.2	Very low	34.7	Very low	170 Å²	170	131.5 Å²	131.5	74%	0.739	76%	0.756	S	S	*	*			trans	-81	150.5	-165.7	-162.4	-174.5	-172.5	-163.4	0	112.8	E168	K166-E168 WeakPolarHBondContact CE-OE1 3.23Å; K166-E168 IonicContact NZ-OE1 2.7Å; K166-E168 PolarHBondContact NZ-OE1 2.74Å
167	V	31.2	Very low	35.3	Very low	139 Å²	139	129.7 Å²	129.7	84%	0.842	75%	0.747	S	S	*	*			trans	-129.2	137.6	166.1	177.9	0	0	0	0	108.5
168	E	32.5	Very low	36	Very low	149 Å²	149	130.5 Å²	130.5	70%	0.696	74%	0.737	S	S	*	*			trans	-114.3	153.9	173	-73.5	173.1	179	0	0	109.8	K166	K166-E168 WeakPolarHBondContact CE-OE1 3.23Å; K166-E168 IonicContact NZ-OE1 2.7Å; K166-E168 PolarHBondContact NZ-OE1 2.74Å
169	S	29.9	Very low	36.6	Very low	115 Å²	115	130.5 Å²	130.5	80%	0.804	72%	0.719	S	S	*	*			trans	-110.3	130.2	-157.1	55.5	0	0	0	0	115.1
170	M	35.2	Very low	37.3	Very low	179 Å²	179	128.3 Å²	128.3	88%	0.882	70%	0.698	S	S	*	*			trans	-138.6	152.2	156.5	-67.6	-155.9	91.1	0	0	111.1
171	P	35.3	Very low	38.1	Very low	120 Å²	120	122.7 Å²	122.7	78%	0.779	68%	0.684	S	S	*	*			trans	-94.9	129.9	-165.8	34.6	-33.9	0	0	0	114.8
172	I	39.8	Very low	38.8	Very low	118 Å²	118	126.4 Å²	126.4	61%	0.605	68%	0.683	S	S	*	*			trans	-124.4	-8.2	175.6	-64.7	174.7	0	0	0	112.7	S174 A175 E176	I172-S174 VanDerWaalsContact C-N 3.28Å; I172-S174 PolarHBondContact O-N 3.33Å; I172-A175 PolarHBondContact O-N 2.89Å; I172-E176 HydrophobicContact CG2-CG 4.29Å
173	A	40.8	Very low	39.4	Very low	80 Å²	80	124.7 Å²	124.7	66%	0.661	66%	0.66	S	S	*	*	H	α-helix	trans	-60.3	-13.9	-161.2	0	0	0	0	0	118.3
174	S	44.5	Very low	39.6	Very low	97 Å²	97	116.5 Å²	116.5	68%	0.678	63%	0.626	S	S	*	*	H	α-helix	trans	-82.2	-30.4	-179.8	59.7	0	0	0	0	113.9	I172 H178	I172-S174 VanDerWaalsContact C-N 3.28Å; I172-S174 PolarHBondContact O-N 3.33Å; S174-H178 PolarHBondContact O-ND1 2.8Å
175	A	42.2	Very low	40.3	Very low	54 Å²	54	107.4 Å²	107.4	45%	0.446	60%	0.602	S	S	.	*	H	α-helix	trans	-77.7	-38.9	-176.4	0	0	0	0	0	112.3	I172 H178 Q179	I172-A175 PolarHBondContact O-N 2.89Å; A175-H178 PolarHBondContact O-N 3.14Å; A175-Q179 PolarHBondContact O-N 3.26Å; A175-Q179 VanDerWaalsContact O-N 3.14Å
176	E	39.5	Very low	40.7	Very low	118 Å²	118	108.5 Å²	108.5	55%	0.551	59%	0.591	S	S	*	*	H	α-helix	trans	-67.9	-39.7	-176.2	-62.4	-177.7	124.2	0	0	111.9	I172 H178 Q179 Q180	I172-E176 HydrophobicContact CG2-CG 4.29Å; E176-H178 VanDerWaalsContact C-N 3.29Å; E176-H178 PolarHBondContact O-N 3.49Å; E176-Q179 PolarHBondContact O-N 3.02Å; E176-Q179 VanDerWaalsContact O-N 3.11Å; E176-Q180 WeakPolarHBondContact O-CB 3.49Å; E176-Q180 PolarHBondContact O-N 3.42Å
177	A	41.2	Very low	41.1	Very low	62 Å²	62	103.8 Å²	103.8	51%	0.512	57%	0.573	S	S	.	*	H	α-helix	trans	-58.1	-39.8	174.7	0	0	0	0	0	112.6	Q180 S181	A177-Q180 PolarHBondContact O-N 3.4Å; A177-S181 WeakPolarHBondContact O-CB 3.4Å; A177-S181 PolarHBondContact O-N 3.5Å
178	H	47.3	Very low	41.3	Very low	143 Å²	143	101.2 Å²	101.2	66%	0.662	55%	0.548	S	S	*	.	H	α-helix	trans	-70.1	-34.4	175.6	-84.5	78.4	0	0	0	112.9	S174 A175 E176 R182	S174-H178 PolarHBondContact O-ND1 2.8Å; A175-H178 PolarHBondContact O-N 3.14Å; E176-H178 VanDerWaalsContact C-N 3.29Å; E176-H178 PolarHBondContact O-N 3.49Å; H178-R182 WeakPolarHBondContact O-CG 3.48Å; H178-R182 PolarHBondContact O-N 3.25Å
179	Q	49.5	Very low	41.4	Very low	101 Å²	101	101.4 Å²	101.4	47%	0.472	54%	0.543	S	S	.	.	H	α-helix	trans	-69.4	-40.4	171.8	-68.8	-170.1	1.1	0	0	111.8	A175 E176 R182 R183	A175-Q179 PolarHBondContact O-N 3.26Å; A175-Q179 VanDerWaalsContact O-N 3.14Å; E176-Q179 PolarHBondContact O-N 3.02Å; E176-Q179 VanDerWaalsContact O-N 3.11Å; Q179-R182 WeakPolarHBondContact O-CB 3.4Å; Q179-R182 PolarHBondContact O-N 3.44Å; Q179-R183 WeakPolarHBondContact O-CG 3.42Å; Q179-R183 PolarHBondContact O-N 3.4Å
180	Q	47.4	Very low	41.8	Very low	53 Å²	53	99.5 Å²	99.5	25%	0.248	53%	0.528	C	S	.	.	H	α-helix	trans	-66.2	-46.8	-178	-146	75.8	-41.9	0	0	111.5	I32 E176 A177 R182 R183 D184	I32-Q180 VanDerWaalsContact CG2-CD 3.48Å; I32-Q180 HydrophobicContact CG2-CG 3.54Å; I32-Q180 VanDerWaalsContact CG2-NE2 3.35Å; E176-Q180 WeakPolarHBondContact O-CB 3.49Å; E176-Q180 PolarHBondContact O-N 3.42Å; A177-Q180 PolarHBondContact O-N 3.4Å; Q180-R182 PolarHBondContact O-N 2.79Å; Q180-R183 WeakPolarHBondContact O-CA 3.34Å; Q180-R183 WeakPolarHBondContact O-CB 3.42Å; Q180-R183 PolarHBondContact O-N 2.92Å; Q180-D184 PolarHBondContact O-N 2.75Å
181	S	44.1	Very low	41.9	Very low	81 Å²	81	98.4 Å²	98.4	57%	0.566	52%	0.52	S	S	*	.	H	α-helix	trans	-55.9	-38.2	172.3	179.4	0	0	0	0	112.6	A177 A185	A177-S181 WeakPolarHBondContact O-CB 3.4Å; A177-S181 PolarHBondContact O-N 3.5Å; S181-A185 VanDerWaalsContact O-CB 3.25Å; S181-A185 WeakPolarHBondContact O-CB 3.43Å; S181-A185 PolarHBondContact O-N 2.94Å
182	R	50.6	Low	42.5	Very low	191 Å²	191	96.6 Å²	96.6	72%	0.721	50%	0.502	S	S	*	.	H	α-helix	trans	-67.1	-37.4	173.1	-77.9	-177.7	172.8	-159.3	0	113	H178 Q179 Q180 A185 Q186	H178-R182 WeakPolarHBondContact O-CG 3.48Å; H178-R182 PolarHBondContact O-N 3.25Å; Q179-R182 WeakPolarHBondContact O-CB 3.4Å; Q179-R182 PolarHBondContact O-N 3.44Å; Q180-R182 PolarHBondContact O-N 2.79Å; R182-A185 CarbonylContact O-C 3.47Å; R182-A185 PolarHBondContact O-N 3.32Å; R182-Q186 WeakPolarHBondContact O-CG 3.27Å; R182-Q186 PolarHBondContact O-N 3.46Å; R182-Q186 VanDerWaalsContact O-N 3.08Å; R182-Q186 PolarHBondContact O-OE1 2.96Å
183	R	42.6	Very low	43.2	Very low	109 Å²	109	92.9 Å²	92.9	41%	0.411	48%	0.483	S	S	.	.	H	α-helix	trans	-66.9	-46.2	175.9	-70.1	169.8	-174.2	124.9	6.3	111.6	I32 Q179 Q180 A185 Q186 L187	I32-R183 HydrophobicContact CD1-CB 4.46Å; Q179-R183 WeakPolarHBondContact O-CG 3.42Å; Q179-R183 PolarHBondContact O-N 3.4Å; Q180-R183 WeakPolarHBondContact O-CA 3.34Å; Q180-R183 WeakPolarHBondContact O-CB 3.42Å; Q180-R183 PolarHBondContact O-N 2.92Å; R183-A185 VanDerWaalsContact C-N 3.3Å; R183-A185 PolarHBondContact O-N 3.25Å; R183-Q186 CarbonylContact O-C 3.59Å; R183-Q186 WeakPolarHBondContact O-CA 3.08Å; R183-Q186 WeakPolarHBondContact O-CB 3.22Å; R183-Q186 PolarHBondContact O-N 3.22Å; R183-L187 VanDerWaalsContact O-CD1 3.29Å; R183-L187 WeakPolarHBondContact O-CD1 3.48Å; R183-L187 PolarHBondContact O-N 2.83Å
184	D	40.9	Very low	44.3	Very low	37 Å²	37	93.1 Å²	93.1	20%	0.198	47%	0.469	C	S	.	.	H	α-helix	trans	-56.8	-45	171.8	-81.7	-68.1	0	0	0	111.7	I32 Q180 Q186 L187 R188	I32-D184 WeakPolarHBondContact CD1-OD1 3.5Å; I32-D184 WeakPolarHBondContact CG1-OD1 3.25Å; Q180-D184 PolarHBondContact O-N 2.75Å; D184-Q186 PolarHBondContact O-N 3.11Å; D184-Q186 VanDerWaalsContact O-N 3.15Å; D184-L187 PolarHBondContact O-N 2.95Å; D184-R188 PolarHBondContact O-N 3.14Å
185	A	45.8	Very low	45.3	Very low	47 Å²	47	92.6 Å²	92.6	39%	0.388	46%	0.456	S	S	.	.	H	α-helix	trans	-70.5	-1	175	0	0	0	0	0	114.2	S181 R182 R183 R189	S181-A185 VanDerWaalsContact O-CB 3.25Å; S181-A185 WeakPolarHBondContact O-CB 3.43Å; S181-A185 PolarHBondContact O-N 2.94Å; R182-A185 CarbonylContact O-C 3.47Å; R182-A185 PolarHBondContact O-N 3.32Å; R183-A185 VanDerWaalsContact C-N 3.3Å; R183-A185 PolarHBondContact O-N 3.25Å; A185-R189 WeakPolarHBondContact O-CG 3.42Å; A185-R189 PolarHBondContact O-NE 2.99Å
186	Q	43.9	Very low	47.1	Very low	115 Å²	115	91.7 Å²	91.7	54%	0.537	44%	0.441	S	S	.	.	H	α-helix	trans	-105	-36	167.6	-74.4	175.2	-70	0	0	111.7	R182 R183 D184 R189 P190	R182-Q186 WeakPolarHBondContact O-CG 3.27Å; R182-Q186 PolarHBondContact O-N 3.46Å; R182-Q186 VanDerWaalsContact O-N 3.08Å; R182-Q186 PolarHBondContact O-OE1 2.96Å; R183-Q186 CarbonylContact O-C 3.59Å; R183-Q186 WeakPolarHBondContact O-CA 3.08Å; R183-Q186 WeakPolarHBondContact O-CB 3.22Å; R183-Q186 PolarHBondContact O-N 3.22Å; D184-Q186 PolarHBondContact O-N 3.11Å; D184-Q186 VanDerWaalsContact O-N 3.15Å; Q186-R189 PolarHBondContact O-N 3.34Å; Q186-P190 VanDerWaalsContact O-CD 3.22Å; Q186-P190 WeakPolarHBondContact O-CD 3.46Å
187	L	39.3	Very low	48.8	Very low	72 Å²	72	86 Å²	86	38%	0.377	42%	0.415	S	S	.	.	H	α-helix	trans	-65.3	-39.7	173.4	-92.9	81.1	0	0	0	112.9	I32 R183 D184 R189 P190 Q547	I32-L187 HydrophobicContact CD1-CD1 4.14Å; I32-L187 HydrophobicContact CD1-CD2 4.18Å; R183-L187 VanDerWaalsContact O-CD1 3.29Å; R183-L187 WeakPolarHBondContact O-CD1 3.48Å; R183-L187 PolarHBondContact O-N 2.83Å; D184-L187 PolarHBondContact O-N 2.95Å; L187-R189 VanDerWaalsContact C-N 3.3Å; L187-R189 PolarHBondContact O-N 3.1Å; L187-P190 WeakPolarHBondContact O-CD 3.43Å; L187-Q547 VanDerWaalsContact CD1-NE2 3.28Å
188	R	35	Very low	50.1	Low	84 Å²	84	88.2 Å²	88.2	32%	0.317	41%	0.413	S	S	.	.	H	α-helix	trans	-67.6	-27.4	179.3	-73.9	-168.7	175.5	-148.1	4.7	113.4	S30 D184 Q191 E192	S30-R188 PolarHBondContact OG-NH2 3.31Å; D184-R188 PolarHBondContact O-N 3.14Å; R188-Q191 PolarHBondContact O-N 3.11Å; R188-E192 WeakPolarHBondContact O-CB 3.4Å; R188-E192 WeakPolarHBondContact O-CG 3.47Å; R188-E192 PolarHBondContact O-N 3Å
189	R	35.5	Very low	51.5	Low	154 Å²	154	84.7 Å²	84.7	58%	0.581	40%	0.396	S	S	*	.	H	α-helix	trans	-59.2	-51.9	-173.6	-73.7	-179	-152.6	-156.9	2.7	113.8	A185 Q186 L187 Q191 E192 N193	A185-R189 WeakPolarHBondContact O-CG 3.42Å; A185-R189 PolarHBondContact O-NE 2.99Å; Q186-R189 PolarHBondContact O-N 3.34Å; L187-R189 VanDerWaalsContact C-N 3.3Å; L187-R189 PolarHBondContact O-N 3.1Å; R189-Q191 VanDerWaalsContact C-N 3.31Å; R189-Q191 PolarHBondContact O-N 3.13Å; R189-E192 PolarHBondContact O-N 3.39Å; R189-N193 WeakPolarHBondContact O-CB 3.26Å; R189-N193 PolarHBondContact O-N 2.83Å; R189-N193 PolarHBondContact O-OD1 3.31Å
190	P	36.8	Very low	52.7	Low	75 Å²	75	79.9 Å²	79.9	49%	0.487	37%	0.374	S	S	.	.	H	α-helix	trans	-57.9	-40.9	176.3	-27.3	35.3	0	0	0	113.4	Q186 L187 N193 F194	Q186-P190 VanDerWaalsContact O-CD 3.22Å; Q186-P190 WeakPolarHBondContact O-CD 3.46Å; L187-P190 WeakPolarHBondContact O-CD 3.43Å; P190-N193 PolarHBondContact O-N 2.86Å; P190-F194 WeakPolarHBondContact O-CD2 3.35Å
191	Q	38.6	Very low	53.6	Low	155 Å²	155	81.1 Å²	81.1	72%	0.724	38%	0.376	S	S	*	.	H	α-helix	trans	-71.3	-40	-175.1	-144.8	171.8	13.4	0	0	111.7	R188 R189	R188-Q191 PolarHBondContact O-N 3.11Å; R189-Q191 VanDerWaalsContact C-N 3.31Å; R189-Q191 PolarHBondContact O-N 3.13Å
192	E	46.2	Very low	54.1	Low	83 Å²	83	83.4 Å²	83.4	39%	0.388	38%	0.382	S	S	.	.	H	α-helix	trans	-75.7	-27.5	174.1	-67.1	174.1	169.7	0	0	112.2	R28 R188 R189 F194 E195	R28-E192 IonicContact CZ-OE1 2.72Å; R28-E192 IonicContact NH1-OE1 2.83Å; R28-E192 PolarHBondContact NH1-OE1 3.29Å; R28-E192 IonicContact NH2-OE1 2.75Å; R188-E192 WeakPolarHBondContact O-CB 3.4Å; R188-E192 WeakPolarHBondContact O-CG 3.47Å; R188-E192 PolarHBondContact O-N 3Å; R189-E192 PolarHBondContact O-N 3.39Å; E192-F194 PolarHBondContact O-N 3.48Å; E192-E195 PolarHBondContact O-N 3.12Å
193	N	54.8	Low	54.2	Low	40 Å²	40	78.3 Å²	78.3	21%	0.214	37%	0.367	C	S	.	.	H	α-helix	trans	-64.9	-17.5	177.5	-90.9	8.9	0	0	0	114.4	R189 P190 W196 K269 E311	R189-N193 WeakPolarHBondContact O-CB 3.26Å; R189-N193 PolarHBondContact O-N 2.83Å; R189-N193 PolarHBondContact O-OD1 3.31Å; P190-N193 PolarHBondContact O-N 2.86Å; N193-W196 PolarHBondContact O-NE1 2.99Å; N193-K269 PolarHBondContact OD1-NZ 3.05Å; N193-E311 PolarHBondContact ND2-OE2 3.39Å
194	F	64.6	Low	54.3	Low	84 Å²	84	76.5 Å²	76.5	37%	0.368	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-4.6	-178.8	-62.1	-56.5	0	0	0	115	P190 E192 W196 L197 W201	P190-F194 WeakPolarHBondContact O-CD2 3.35Å; E192-F194 PolarHBondContact O-N 3.48Å; F194-W196 VanDerWaalsContact C-N 3.26Å; F194-W196 PolarHBondContact O-N 2.65Å; F194-L197 HydrophobicContact CD1-CD1 3.73Å; F194-L197 HydrophobicContact CE1-CD1 4.44Å; F194-L197 WeakPolarHBondContact O-CB 3.4Å; F194-L197 PolarHBondContact O-N 3.21Å; F194-W201 HydrophobicContact CB-CH2 4.44Å
195	E	64.9	Low	54.3	Low	87 Å²	87	79.7 Å²	79.7	41%	0.407	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-55.7	-39.4	-179.1	-177.6	121.8	-107.9	0	0	112.5	R28 E192 L197 K198	R28-E195 IonicContact NH2-OE2 3.2Å; R28-E195 PolarHBondContact NH2-OE2 3.22Å; E192-E195 PolarHBondContact O-N 3.12Å; E195-L197 PolarHBondContact O-N 3.2Å; E195-K198 WeakPolarHBondContact O-CB 3.25Å; E195-K198 WeakPolarHBondContact O-CG 3.29Å; E195-K198 PolarHBondContact O-N 3.31Å; E195-K198 IonicContact OE1-NZ 2.99Å; E195-K198 PolarHBondContact OE1-NZ 3.24Å
196	W	80	Confident	54	Low	34 Å²	34	83 Å²	83	13%	0.129	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-64.9	-18.2	176.9	70.5	-78.1	0	0	0	114.6	N193 F194 Y200 T265 V266 K269 R270 V271 F296	N193-W196 PolarHBondContact O-NE1 2.99Å; F194-W196 VanDerWaalsContact C-N 3.26Å; F194-W196 PolarHBondContact O-N 2.65Å; W196-Y200 HydrophobicContact CE3-CE2 4.07Å; W196-Y200 AromaticContact CZ3-CE2 3.89Å; W196-Y200 HydrophobicContact CZ3-CE2 3.89Å; W196-T265 HydrophobicContact CH2-CG2 4.3Å; W196-T265 HydrophobicContact CZ3-CG2 4.11Å; W196-V266 HydrophobicContact CH2-CG2 4.46Å; W196-K269 HydrophobicContact CD2-CB 3.89Å; W196-K269 HydrophobicContact CD2-CG 4.49Å; W196-K269 VanDerWaalsContact CE3-C 3.42Å; W196-K269 HydrophobicContact CG-CB 3.92Å; W196-R270 WeakPolarHBondContact CZ3-O 3.35Å; W196-V271 HydrophobicContact CB-CG2 3.94Å; W196-V271 HydrophobicContact CE3-CG2 4.36Å; W196-F296 HydrophobicContact CH2-CE1 4.19Å; W196-F296 AromaticContact CH2-CZ 3.93Å; W196-F296 HydrophobicContact CH2-CZ 3.93Å; W196-F296 HydrophobicContact CZ3-CE1 4.13Å; W196-F296 HydrophobicContact CZ3-CZ 4.29Å
197	L	75.5	Confident	53.5	Low	0 Å²	0	86.2 Å²	86.2	0%	0	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-81.1	-16.8	179.2	-69.5	178.5	0	0	0	114	F194 E195 H199 Y200 W201 F296 L306	F194-L197 HydrophobicContact CD1-CD1 3.73Å; F194-L197 HydrophobicContact CE1-CD1 4.44Å; F194-L197 WeakPolarHBondContact O-CB 3.4Å; F194-L197 PolarHBondContact O-N 3.21Å; E195-L197 PolarHBondContact O-N 3.2Å; L197-H199 PolarHBondContact O-N 3Å; L197-Y200 HydrophobicContact CD2-CD2 3.97Å; L197-Y200 HydrophobicContact CD2-CE2 4.44Å; L197-Y200 PolarHBondContact O-N 3.45Å; L197-W201 HydrophobicContact CB-CD2 4.15Å; L197-W201 HydrophobicContact CB-CE3 3.84Å; L197-W201 HydrophobicContact CB-CH2 3.65Å; L197-W201 HydrophobicContact CB-CZ2 3.94Å; L197-W201 HydrophobicContact CB-CZ3 3.59Å; L197-W201 HydrophobicContact CD1-CH2 3.6Å; L197-W201 HydrophobicContact CD1-CZ2 3.63Å; L197-W201 HydrophobicContact CD1-CZ3 4.39Å; L197-W201 HydrophobicContact CG-CH2 4.3Å; L197-W201 HydrophobicContact CG-CZ2 4.43Å; L197-W201 PolarHBondContact O-N 2.89Å; L197-F296 HydrophobicContact CD2-CE1 3.9Å; L197-F296 HydrophobicContact CD2-CZ 4.3Å; L197-L306 HydrophobicContact CD1-CD1 3.46Å; L197-L306 VanDerWaalsContact CD1-CD1 3.46Å; L197-L306 HydrophobicContact CD1-CD2 4.1Å; L197-L306 HydrophobicContact CD1-CG 4.41Å; L197-L306 HydrophobicContact CD2-CD2 4.4Å
198	K	68.8	Low	52.9	Low	108 Å²	108	86.1 Å²	86.1	47%	0.47	41%	0.41	S	S	.	.	H	α-helix	trans	-50.5	-34.7	174.6	-67	175	176.8	178.1	0	112	E195 Y200 N202	E195-K198 WeakPolarHBondContact O-CB 3.25Å; E195-K198 WeakPolarHBondContact O-CG 3.29Å; E195-K198 PolarHBondContact O-N 3.31Å; E195-K198 IonicContact OE1-NZ 2.99Å; E195-K198 PolarHBondContact OE1-NZ 3.24Å; K198-Y200 VanDerWaalsContact C-N 3.27Å; K198-Y200 PolarHBondContact O-N 3.5Å; K198-N202 PolarHBondContact O-N 3.06Å; K198-N202 PolarHBondContact O-OD1 2.88Å
199	H	76	Confident	52.8	Low	68 Å²	68	86.2 Å²	86.2	32%	0.315	42%	0.422	S	S	.	.	H	α-helix	trans	-59.8	-31.9	176.3	-172.4	65.6	0	0	0	114.4	L197 V271 Y272 Y293	L197-H199 PolarHBondContact O-N 3Å; H199-V271 HydrophobicContact CB-CG1 3.93Å; H199-Y272 PolarHBondContact CD2-O 3.23Å; H199-Y272 VanDerWaalsContact CD2-O 3.3Å; H199-Y272 PolarHBondContact NE2-O 2.82Å; H199-Y272 VanDerWaalsContact NE2-O 3.07Å; H199-Y293 AromaticContact CD2-CE2 3.85Å; H199-Y293 AromaticContact NE2-CD2 3.98Å; H199-Y293 AromaticContact NE2-CE2 3.75Å
200	Y	75.8	Confident	52.8	Low	0 Å²	0	84 Å²	84	0%	0	43%	0.43	C	S	.	.	H	α-helix	trans	-91.8	-37.6	-177.3	-62.5	-73.7	0	0	0	112.1	W196 L197 K198 R270 Y272 Y293 F296 Q297 L300	W196-Y200 HydrophobicContact CE3-CE2 4.07Å; W196-Y200 AromaticContact CZ3-CE2 3.89Å; W196-Y200 HydrophobicContact CZ3-CE2 3.89Å; L197-Y200 HydrophobicContact CD2-CD2 3.97Å; L197-Y200 HydrophobicContact CD2-CE2 4.44Å; L197-Y200 PolarHBondContact O-N 3.45Å; K198-Y200 VanDerWaalsContact C-N 3.27Å; K198-Y200 PolarHBondContact O-N 3.5Å; Y200-R270 PolarHBondContact OH-O 3.04Å; Y200-Y272 WeakPolarHBondContact OH-CD2 3.38Å; Y200-Y272 PolarHBondContact OH-N 3.02Å; Y200-Y293 AromaticContact CD1-CD2 3.76Å; Y200-Y293 HydrophobicContact CD1-CD2 3.76Å; Y200-Y293 AromaticContact CD1-CE2 3.59Å; Y200-Y293 HydrophobicContact CD1-CE2 3.59Å; Y200-Y293 AromaticContact CE1-CD2 3.54Å; Y200-Y293 HydrophobicContact CE1-CD2 3.54Å; Y200-Y293 AromaticContact CE1-CE2 3.87Å; Y200-Y293 HydrophobicContact CE1-CE2 3.87Å; Y200-F296 AromaticContact CD1-CD1 3.86Å; Y200-F296 HydrophobicContact CD1-CD1 3.86Å; Y200-F296 AromaticContact CD2-CD1 3.92Å; Y200-F296 HydrophobicContact CD2-CD1 3.92Å; Y200-F296 AromaticContact CD2-CE1 3.86Å; Y200-F296 HydrophobicContact CD2-CE1 3.86Å; Y200-F296 HydrophobicContact CE1-CB 4.28Å; Y200-F296 AromaticContact CE1-CD1 3.62Å; Y200-F296 HydrophobicContact CE1-CD1 3.62Å; Y200-F296 HydrophobicContact CE1-CE1 4.48Å; Y200-F296 HydrophobicContact CE1-CG 4.41Å; Y200-F296 AromaticContact CE2-CD1 3.69Å; Y200-F296 HydrophobicContact CE2-CD1 3.69Å; Y200-F296 AromaticContact CE2-CE1 3.74Å; Y200-F296 HydrophobicContact CE2-CE1 3.74Å; Y200-F296 AromaticContact CG-CD1 3.99Å; Y200-F296 HydrophobicContact CG-CD1 3.99Å; Y200-F296 HydrophobicContact CG-CE1 4.28Å; Y200-F296 AromaticContact CZ-CD1 3.51Å; Y200-Q297 PolarHBondContact O-NE2 3.35Å; Y200-Q297 PolarHBondContact O-OE1 2.91Å; Y200-L300 HydrophobicContact CG-CD1 4.27Å
201	W	66.4	Low	52.8	Low	80 Å²	80	84.4 Å²	84.4	30%	0.303	44%	0.439	S	S	.	.	H	α-helix	trans	-71	-36.5	-176.4	-68.2	-41.9	0	0	0	113.9	F194 L197 Q203 C204 L306	F194-W201 HydrophobicContact CB-CH2 4.44Å; L197-W201 HydrophobicContact CB-CD2 4.15Å; L197-W201 HydrophobicContact CB-CE3 3.84Å; L197-W201 HydrophobicContact CB-CH2 3.65Å; L197-W201 HydrophobicContact CB-CZ2 3.94Å; L197-W201 HydrophobicContact CB-CZ3 3.59Å; L197-W201 HydrophobicContact CD1-CH2 3.6Å; L197-W201 HydrophobicContact CD1-CZ2 3.63Å; L197-W201 HydrophobicContact CD1-CZ3 4.39Å; L197-W201 HydrophobicContact CG-CH2 4.3Å; L197-W201 HydrophobicContact CG-CZ2 4.43Å; L197-W201 PolarHBondContact O-N 2.89Å; W201-Q203 PolarHBondContact O-N 2.9Å; W201-C204 PolarHBondContact O-N 3.27Å; W201-L306 HydrophobicContact CZ2-CD1 4.38Å
202	N	53.7	Low	52.8	Low	129 Å²	129	80.8 Å²	80.8	69%	0.69	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-3.9	-173.3	-67.5	10.1	0	0	0	115.5	K198	K198-N202 PolarHBondContact O-N 3.06Å; K198-N202 PolarHBondContact O-OD1 2.88Å
203	Q	52.4	Low	52.3	Low	84 Å²	84	79.7 Å²	79.7	39%	0.393	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	8.2	178.4	-62.2	-164.5	4.9	0	0	114.1	W201 D205 Y293	W201-Q203 PolarHBondContact O-N 2.9Å; Q203-D205 VanDerWaalsContact C-N 3.32Å; Q203-Y293 VanDerWaalsContact CD-OH 3.31Å; Q203-Y293 PolarHBondContact OE1-OH 2.86Å
204	C	45.5	Very low	51.4	Low	71 Å²	71	83.2 Å²	83.2	48%	0.48	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-19.7	177.7	-77.9	0	0	0	0	114	W201 Q206	W201-C204 PolarHBondContact O-N 3.27Å; C204-Q206 VanDerWaalsContact C-N 3.31Å; C204-Q206 PolarHBondContact O-N 3.2Å
205	D	40.5	Very low	49.9	Very low	103 Å²	103	82.6 Å²	82.6	55%	0.551	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	17.2	-173.9	-59.9	-85.9	0	0	0	114.7	Q203 K207 R587	Q203-D205 VanDerWaalsContact C-N 3.32Å; D205-K207 VanDerWaalsContact C-N 3.35Å; D205-K207 PolarHBondContact O-N 3.24Å; D205-R587 IonicContact OD1-CZ 2.75Å; D205-R587 VanDerWaalsContact OD1-CZ 3.31Å; D205-R587 IonicContact OD1-NH1 3.15Å; D205-R587 PolarHBondContact OD1-NH1 3.5Å; D205-R587 IonicContact OD1-NH2 2.7Å; D205-R587 PolarHBondContact OD1-NH2 3.19Å; D205-R587 IonicContact OD2-CZ 3.75Å; D205-R587 IonicContact OD2-NH2 2.92Å; D205-R587 PolarHBondContact OD2-NH2 3.12Å
206	Q	40	Very low	48.4	Very low	117 Å²	117	87 Å²	87	55%	0.547	46%	0.456	S	S	.	.			trans	-67	95	166.1	-74.2	-164.8	15.1	0	0	110.2	C204 K280	C204-Q206 VanDerWaalsContact C-N 3.31Å; C204-Q206 PolarHBondContact O-N 3.2Å; Q206-K280 VanDerWaalsContact OE1-CE 3.3Å
207	K	32.3	Very low	46.4	Very low	183 Å²	183	88.3 Å²	88.3	80%	0.796	47%	0.465	S	S	*	.			trans	-38.4	116.9	174.8	-163.7	178.9	-169.6	177.5	0	110.9	D205	D205-K207 VanDerWaalsContact C-N 3.35Å; D205-K207 PolarHBondContact O-N 3.24Å
208	P	28	Very low	44.7	Very low	70 Å²	70	93.7 Å²	93.7	46%	0.455	49%	0.49	S	S	.	.			trans	-64.2	143.8	177.1	26.9	-33.9	0	0	0	109.8	S210 V213	P208-S210 PolarHBondContact O-N 3.45Å; P208-V213 HydrophobicContact CB-CG2 4.44Å; P208-V213 HydrophobicContact CG-CG2 4.11Å
209	P	31.6	Very low	43.4	Very low	86 Å²	86	93.8 Å²	93.8	56%	0.558	49%	0.492	S	S	*	.			trans	-54.1	132.3	169.5	-24.7	34.3	0	0	0	110	A211 L212	P209-A211 PolarHBondContact O-N 3.2Å; P209-A211 VanDerWaalsContact O-N 3.1Å; P209-L212 HydrophobicContact CB-CD1 4.45Å; P209-L212 HydrophobicContact CG-CD1 4.19Å; P209-L212 PolarHBondContact O-N 3.23Å
210	S	36.4	Very low	41.7	Very low	108 Å²	108	93.1 Å²	93.1	76%	0.755	50%	0.499	S	S	*	.	H	α-helix	trans	-55.6	-32.6	-174.5	42.6	0	0	0	0	113.2	P208 L212 V213	P208-S210 PolarHBondContact O-N 3.45Å; S210-L212 VanDerWaalsContact C-N 3.32Å; S210-L212 PolarHBondContact O-N 3.07Å; S210-V213 PolarHBondContact O-N 2.83Å
211	A	37.8	Very low	40	Very low	83 Å²	83	101 Å²	101	69%	0.686	53%	0.529	S	S	*	.	H	α-helix	trans	-62.2	-30.8	175.3	0	0	0	0	0	114.5	P209	P209-A211 PolarHBondContact O-N 3.2Å; P209-A211 VanDerWaalsContact O-N 3.1Å
212	L	38	Very low	38.8	Very low	78 Å²	78	101.5 Å²	101.5	41%	0.408	54%	0.537	S	S	.	.	H	α-helix	trans	-83.1	-13.9	-178.8	-79.5	167.4	0	0	0	113.6	P209 S210 N214 D215 W216	P209-L212 HydrophobicContact CB-CD1 4.45Å; P209-L212 HydrophobicContact CG-CD1 4.19Å; P209-L212 PolarHBondContact O-N 3.23Å; S210-L212 VanDerWaalsContact C-N 3.32Å; S210-L212 PolarHBondContact O-N 3.07Å; L212-N214 VanDerWaalsContact C-N 3.3Å; L212-N214 PolarHBondContact O-N 3.46Å; L212-D215 HydrophobicContact CD2-CB 4.49Å; L212-D215 PolarHBondContact O-N 3.47Å; L212-W216 PolarHBondContact O-N 3.39Å
213	V	36.1	Very low	38.4	Very low	61 Å²	61	101.2 Å²	101.2	37%	0.37	53%	0.531	S	S	.	.	H	α-helix	trans	-68.2	-32.1	-177.9	-177.9	0	0	0	0	111.4	P208 S210 N217	P208-V213 HydrophobicContact CB-CG2 4.44Å; P208-V213 HydrophobicContact CG-CG2 4.11Å; S210-V213 PolarHBondContact O-N 2.83Å; V213-N217 PolarHBondContact O-N 3.02Å; V213-N217 PolarHBondContact O-ND2 3.36Å
214	N	35	Very low	37.7	Very low	114 Å²	114	102.3 Å²	102.3	61%	0.61	55%	0.547	S	S	*	.	H	α-helix	trans	-74.5	-42.1	175.7	-69.2	-15.8	0	0	0	111.8	L212 W216 N217 Q218	L212-N214 VanDerWaalsContact C-N 3.3Å; L212-N214 PolarHBondContact O-N 3.46Å; N214-W216 PolarHBondContact O-N 3.02Å; N214-N217 PolarHBondContact O-N 3.44Å; N214-Q218 WeakPolarHBondContact O-CG 3.44Å; N214-Q218 PolarHBondContact O-N 2.96Å
215	D	33.6	Very low	37.4	Very low	71 Å²	71	109.4 Å²	109.4	38%	0.38	56%	0.564	S	S	.	*	H	α-helix	trans	-59.2	-45.6	175.7	179.8	43.5	0	0	0	111.5	L212 N217 Q218 H219	L212-D215 HydrophobicContact CD2-CB 4.49Å; L212-D215 PolarHBondContact O-N 3.47Å; D215-N217 VanDerWaalsContact C-N 3.32Å; D215-N217 PolarHBondContact O-N 3.05Å; D215-Q218 CarbonylContact O-C 3.6Å; D215-Q218 PolarHBondContact O-N 3.38Å; D215-Q218 VanDerWaalsContact O-N 3.13Å; D215-H219 WeakPolarHBondContact O-CB 3.35Å; D215-H219 PolarHBondContact O-N 2.77Å
216	W	32.7	Very low	37.3	Very low	180 Å²	180	108.6 Å²	108.6	68%	0.682	56%	0.56	S	S	*	*	H	α-helix	trans	-60.3	-38.1	176.3	-81.9	48.6	0	0	0	113.4	L212 N214 A220	L212-W216 PolarHBondContact O-N 3.39Å; N214-W216 PolarHBondContact O-N 3.02Å; W216-A220 WeakPolarHBondContact O-CB 3.49Å; W216-A220 PolarHBondContact O-N 3Å
217	N	37.4	Very low	37.2	Very low	60 Å²	60	108.4 Å²	108.4	32%	0.321	57%	0.567	S	S	.	*	H	α-helix	trans	-71.4	-35.1	176.2	-79.5	-72.4	0	0	0	112.2	V213 N214 D215 R221	V213-N217 PolarHBondContact O-N 3.02Å; V213-N217 PolarHBondContact O-ND2 3.36Å; N214-N217 PolarHBondContact O-N 3.44Å; D215-N217 VanDerWaalsContact C-N 3.32Å; D215-N217 PolarHBondContact O-N 3.05Å; N217-R221 WeakPolarHBondContact O-CB 3.45Å; N217-R221 WeakPolarHBondContact O-CD 3.41Å; N217-R221 WeakPolarHBondContact O-CG 3.36Å; N217-R221 PolarHBondContact O-N 3.2Å; N217-R221 VanDerWaalsContact O-N 3.14Å
218	Q	39.9	Very low	37.5	Very low	114 Å²	114	110.4 Å²	110.4	53%	0.533	57%	0.569	S	S	.	*	H	α-helix	trans	-68.7	-44.7	172.2	-71.6	-179.1	-2.8	0	0	111.2	N214 D215 A220 R221 N222	N214-Q218 WeakPolarHBondContact O-CG 3.44Å; N214-Q218 PolarHBondContact O-N 2.96Å; D215-Q218 CarbonylContact O-C 3.6Å; D215-Q218 PolarHBondContact O-N 3.38Å; D215-Q218 VanDerWaalsContact O-N 3.13Å; Q218-A220 VanDerWaalsContact C-N 3.32Å; Q218-A220 PolarHBondContact O-N 2.95Å; Q218-R221 PolarHBondContact O-N 3.5Å; Q218-N222 WeakPolarHBondContact O-CB 3.47Å; Q218-N222 PolarHBondContact O-N 3.24Å; Q218-N222 PolarHBondContact O-ND2 3.05Å; Q218-N222 PolarHBondContact O-OD1 3.33Å
219	H	42.1	Very low	37.8	Very low	109 Å²	109	114.5 Å²	114.5	51%	0.505	59%	0.586	S	S	.	*	H	α-helix	trans	-62.1	-37.6	179.2	-131	-55.7	0	0	0	112.6	D215 Q223	D215-H219 WeakPolarHBondContact O-CB 3.35Å; D215-H219 PolarHBondContact O-N 2.77Å; H219-Q223 WeakPolarHBondContact O-CB 3.5Å; H219-Q223 WeakPolarHBondContact O-CG 3.28Å; H219-Q223 PolarHBondContact O-N 3.39Å; H219-Q223 VanDerWaalsContact O-N 3.09Å
220	A	40.2	Very low	37.9	Very low	55 Å²	55	114 Å²	114	46%	0.455	59%	0.585	S	S	.	*	H	α-helix	trans	-68.6	-49.3	174.4	0	0	0	0	0	112.3	W216 Q218 N222 Q223 C224	W216-A220 WeakPolarHBondContact O-CB 3.49Å; W216-A220 PolarHBondContact O-N 3Å; Q218-A220 VanDerWaalsContact C-N 3.32Å; Q218-A220 PolarHBondContact O-N 2.95Å; A220-N222 VanDerWaalsContact C-N 3.32Å; A220-N222 PolarHBondContact O-N 3Å; A220-Q223 PolarHBondContact O-N 3.15Å; A220-C224 PolarHBondContact O-N 3.33Å
221	R	41.2	Very low	37.7	Very low	166 Å²	166	113.1 Å²	113.1	63%	0.626	58%	0.584	S	S	*	*	H	α-helix	trans	-60.5	-42	176.8	-71.7	169.3	-174.9	169.7	1.8	111.8	N217 Q218 Q223 C224 R225	N217-R221 WeakPolarHBondContact O-CB 3.45Å; N217-R221 WeakPolarHBondContact O-CD 3.41Å; N217-R221 WeakPolarHBondContact O-CG 3.36Å; N217-R221 PolarHBondContact O-N 3.2Å; N217-R221 VanDerWaalsContact O-N 3.14Å; Q218-R221 PolarHBondContact O-N 3.5Å; R221-Q223 PolarHBondContact O-N 2.96Å; R221-C224 PolarHBondContact O-N 3.04Å; R221-R225 VanDerWaalsContact O-CB 3.29Å; R221-R225 WeakPolarHBondContact O-CB 3.47Å; R221-R225 PolarHBondContact O-N 3.46Å
222	N	40.9	Very low	37.4	Very low	90 Å²	90	117.4 Å²	117.4	48%	0.481	59%	0.594	S	S	.	*	H	α-helix	trans	-69.8	-30.8	-179.9	-66.6	-9.3	0	0	0	111.9	Q218 A220 C224 R225 N226	Q218-N222 WeakPolarHBondContact O-CB 3.47Å; Q218-N222 PolarHBondContact O-N 3.24Å; Q218-N222 PolarHBondContact O-ND2 3.05Å; Q218-N222 PolarHBondContact O-OD1 3.33Å; A220-N222 VanDerWaalsContact C-N 3.32Å; A220-N222 PolarHBondContact O-N 3Å; N222-C224 PolarHBondContact O-N 3.35Å; N222-R225 PolarHBondContact O-N 3.23Å; N222-N226 WeakPolarHBondContact O-CA 3.45Å; N222-N226 WeakPolarHBondContact O-CB 3.26Å; N222-N226 PolarHBondContact O-N 2.87Å
223	Q	44.1	Very low	37.5	Very low	122 Å²	122	121.9 Å²	121.9	57%	0.57	61%	0.613	S	S	*	*	H	α-helix	trans	-67.4	-31.7	172.3	-80.6	179.3	-10.3	0	0	113.3	H219 A220 R221 T227	H219-Q223 WeakPolarHBondContact O-CB 3.5Å; H219-Q223 WeakPolarHBondContact O-CG 3.28Å; H219-Q223 PolarHBondContact O-N 3.39Å; H219-Q223 VanDerWaalsContact O-N 3.09Å; A220-Q223 PolarHBondContact O-N 3.15Å; R221-Q223 PolarHBondContact O-N 2.96Å; Q223-T227 VanDerWaalsContact O-CG2 3.29Å; Q223-T227 WeakPolarHBondContact O-CG2 3.43Å; Q223-T227 PolarHBondContact O-OG1 3.21Å
224	C	39.1	Very low	38	Very low	107 Å²	107	123 Å²	123	72%	0.723	62%	0.616	S	S	*	*	H	α-helix	trans	-81.9	-29.9	172.2	-77.6	0	0	0	0	113.8	A220 R221 N222	A220-C224 PolarHBondContact O-N 3.33Å; R221-C224 PolarHBondContact O-N 3.04Å; N222-C224 PolarHBondContact O-N 3.35Å
225	R	39.2	Very low	38.9	Very low	221 Å²	221	122.9 Å²	122.9	83%	0.834	62%	0.622	S	S	*	*	H	α-helix	trans	-101.4	-25.2	-170.2	-158.3	167.4	-177	161.1	-1.3	114.8	R221 N222	R221-R225 VanDerWaalsContact O-CB 3.29Å; R221-R225 WeakPolarHBondContact O-CB 3.47Å; R221-R225 PolarHBondContact O-N 3.46Å; N222-R225 PolarHBondContact O-N 3.23Å
226	N	37.2	Very low	40.6	Very low	86 Å²	86	123.8 Å²	123.8	46%	0.46	63%	0.625	S	S	.	*	S	Bend	trans	-96.2	-4.5	-174.4	-149.1	29.8	0	0	0	114.2	N222 R228 L229 S230	N222-N226 WeakPolarHBondContact O-CA 3.45Å; N222-N226 WeakPolarHBondContact O-CB 3.26Å; N222-N226 PolarHBondContact O-N 2.87Å; N226-R228 PolarHBondContact O-N 2.91Å; N226-L229 PolarHBondContact O-N 2.92Å; N226-S230 PolarHBondContact ND2-OG 3.43Å; N226-S230 PolarHBondContact OD1-OG 3.41Å
227	T	39.1	Very low	43.2	Very low	113 Å²	113	117 Å²	117	69%	0.693	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	24.3	176.8	40.2	0	0	0	0	114.7	Q223	Q223-T227 VanDerWaalsContact O-CG2 3.29Å; Q223-T227 WeakPolarHBondContact O-CG2 3.43Å; Q223-T227 PolarHBondContact O-OG1 3.21Å
228	R	38	Very low	45.8	Very low	224 Å²	224	114.3 Å²	114.3	85%	0.845	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.6	-26.3	172.5	-72.5	-174.4	173.1	-174.7	-3.7	114.1	N226	N226-R228 PolarHBondContact O-N 2.91Å
229	L	34.9	Very low	48.2	Very low	156 Å²	156	112.3 Å²	112.3	82%	0.817	59%	0.586	S	S	*	*	S	Bend	trans	-146.4	38.5	-166.8	-70.4	174.6	0	0	0	114.3	N226	N226-L229 PolarHBondContact O-N 2.92Å
230	S	34	Very low	50.6	Low	77 Å²	77	107.1 Å²	107.1	54%	0.538	56%	0.562	S	S	.	*	S	Bend	trans	-165.1	129.9	157.6	14.9	0	0	0	0	115	N226	N226-S230 PolarHBondContact ND2-OG 3.43Å; N226-S230 PolarHBondContact OD1-OG 3.41Å
231	A	30.8	Very low	53.3	Low	89 Å²	89	104.8 Å²	104.8	74%	0.736	54%	0.542	S	S	*	.			trans	23.8	104.1	156.2	0	0	0	0	0	121
232	I	31.6	Very low	55.8	Low	172 Å²	172	99.7 Å²	99.7	88%	0.882	54%	0.54	S	S	*	.			trans	47	77.7	135.6	-41.2	174	0	0	0	116.8
233	Q	39.4	Very low	58.4	Low	172 Å²	172	96.5 Å²	96.5	80%	0.804	52%	0.523	S	S	*	.			trans	-130.2	119.2	144.2	-69.6	-167.2	5.6	0	0	109.6	P235	Q233-P235 WeakPolarHBondContact O-CD 3.36Å
234	D	48	Very low	60.7	Low	84 Å²	84	98 Å²	98	45%	0.449	53%	0.528	S	S	.	.			trans	-59.9	125	-180	-178.6	-1.4	0	0	0	110.4	M236 A237	D234-M236 PolarHBondContact O-N 2.83Å; D234-M236 WeakPolarHBondContact OD1-CA 3.42Å; D234-M236 WeakPolarHBondContact OD1-CB 3.38Å; D234-M236 PolarHBondContact OD1-N 3.42Å; D234-A237 VanDerWaalsContact O-CB 3.29Å; D234-A237 WeakPolarHBondContact O-CB 3.2Å; D234-A237 PolarHBondContact O-N 3.19Å
235	P	53.3	Low	63.1	Low	112 Å²	112	93.3 Å²	93.3	73%	0.727	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-18.6	170.7	-26.8	36.1	0	0	0	113.8	Q233 A237	Q233-P235 WeakPolarHBondContact O-CD 3.36Å; P235-A237 VanDerWaalsContact C-N 3.31Å; P235-A237 PolarHBondContact O-N 3.12Å
236	M	68.7	Low	65.5	Low	91 Å²	91	85.6 Å²	85.6	45%	0.448	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	35.3	169.5	-50.1	-64.3	178.1	0	0	112.9	D234 S245	D234-M236 PolarHBondContact O-N 2.83Å; D234-M236 WeakPolarHBondContact OD1-CA 3.42Å; D234-M236 WeakPolarHBondContact OD1-CB 3.38Å; D234-M236 PolarHBondContact OD1-N 3.42Å; M236-S245 WeakPolarHBondContact O-CA 3.47Å; M236-S245 WeakPolarHBondContact O-CB 3.47Å; M236-S245 PolarHBondContact O-N 3.45Å
237	A	87.2	Confident	67.6	Low	38 Å²	38	82.2 Å²	82.2	31%	0.314	46%	0.462	S	S	.	.	B	Isolated β-bridge	trans	-88.6	140.7	169.6	0	0	0	0	0	112.9	D234 P235 I239	D234-A237 VanDerWaalsContact O-CB 3.29Å; D234-A237 WeakPolarHBondContact O-CB 3.2Å; D234-A237 PolarHBondContact O-N 3.19Å; P235-A237 VanDerWaalsContact C-N 3.31Å; P235-A237 PolarHBondContact O-N 3.12Å; A237-I239 PolarHBondContact O-N 3.11Å
238	C	93.8	Very high	69.5	Low	3 Å²	3	78.3 Å²	78.3	2%	0.02	44%	0.437	C	S	.	.			trans	-78.5	112.9	177.4	174.8	0	0	0	0	111.9	I240 C241 G242 D243 T254 C255	C238-I240 PolarHBondContact O-N 3.44Å; C238-C241 PolarHBondContact O-N 3.08Å; C238-G242 PolarHBondContact O-N 2.93Å; C238-D243 WeakPolarHBondContact CA-O 3.27Å; C238-D243 WeakPolarHBondContact CB-O 3.23Å; C238-D243 PolarHBondContact N-O 3.35Å; C238-T254 VanDerWaalsContact SG-CA 3.58Å; C238-C255 HydrophobicContact CB-CB 4.05Å; C238-C255 PolarHBondContact SG-N 3.47Å; C238-C255 VanDerWaalsContact SG-N 3.41Å
239	I	88.8	Confident	71.8	Confident	72 Å²	72	68.5 Å²	68.5	37%	0.369	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-23.5	-178.3	-60.4	174.5	0	0	0	113.3	A237 I252 Y253 K302	A237-I239 PolarHBondContact O-N 3.11Å; I239-I252 HydrophobicContact CD1-CB 4.44Å; I239-Y253 PolarHBondContact N-O 3.33Å; I239-K302 HydrophobicContact CG2-CB 4.18Å; I239-K302 HydrophobicContact CG2-CD 3.7Å; I239-K302 HydrophobicContact CG2-CG 3.89Å
240	I	93.4	Very high	74.1	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-31.1	178.2	-55.1	-54.8	0	0	0	113.4	C238 I252 T254 C258 V283 R295 K298 K302 M304	C238-I240 PolarHBondContact O-N 3.44Å; I240-I252 HydrophobicContact CD1-CD1 3.66Å; I240-I252 HydrophobicContact CG1-CD1 3.86Å; I240-T254 HydrophobicContact CB-CG2 4.46Å; I240-T254 HydrophobicContact CG1-CG2 3.67Å; I240-C258 HydrophobicContact CB-CB 4.3Å; I240-C258 HydrophobicContact CG2-CB 4.41Å; I240-V283 HydrophobicContact CG2-CG1 4.26Å; I240-V283 VanDerWaalsContact O-CG1 3.3Å; I240-V283 WeakPolarHBondContact O-CG1 3.05Å; I240-R295 HydrophobicContact CG2-CG 4.38Å; I240-K298 HydrophobicContact CD1-CG 4.33Å; I240-K298 WeakPolarHBondContact CD1-O 3.32Å; I240-K298 HydrophobicContact CG2-CD 4.46Å; I240-K298 VanDerWaalsContact O-CD 3.31Å; I240-K298 WeakPolarHBondContact O-CD 3.43Å; I240-K298 WeakPolarHBondContact O-CE 3.45Å; I240-K298 PolarHBondContact O-NZ 3.32Å; I240-K302 HydrophobicContact CD1-CB 3.72Å; I240-K302 HydrophobicContact CD1-CG 4.06Å; I240-M304 HydrophobicContact CG1-SD 4.34Å
241	C	96.6	Very high	75.9	Confident	6 Å²	6	58.9 Å²	58.9	4%	0.041	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-150.8	3.2	-170.4	67.1	0	0	0	0	117.4	C238 D243 C258 V283 T284 K285 R288	C238-C241 PolarHBondContact O-N 3.08Å; C241-D243 PolarHBondContact O-N 2.99Å; C241-C258 VanDerWaalsContact SG-SG 3.62Å; C241-V283 HydrophobicContact CB-CG1 4.19Å; C241-T284 CarbonylContact O-C 3.28Å; C241-T284 VanDerWaalsContact O-C 3.28Å; C241-T284 WeakPolarHBondContact O-CA 3.43Å; C241-K285 PolarHBondContact O-N 3.07Å; C241-R288 HydrophobicContact CB-CB 4.28Å; C241-R288 PolarHBondContact SG-NH1 3.4Å; C241-R288 VanDerWaalsContact SG-NH1 3.39Å
242	G	93.4	Very high	78	Confident	58 Å²	58	54.9 Å²	54.9	60%	0.598	31%	0.309	S	S	*	.	S	Bend	trans	77.6	-15.7	-178.7	0	0	0	0	0	115.6	C238	C238-G242 PolarHBondContact O-N 2.93Å
243	D	95.2	Very high	80.5	Confident	23 Å²	23	49.3 Å²	49.3	12%	0.123	28%	0.277	C	S	.	.	S	Bend	trans	-62.4	159.2	176.2	-164.2	19.5	0	0	0	113.1	C238 C241 S245 C255 K285 R288	C238-D243 WeakPolarHBondContact CA-O 3.27Å; C238-D243 WeakPolarHBondContact CB-O 3.23Å; C238-D243 PolarHBondContact N-O 3.35Å; C241-D243 PolarHBondContact O-N 2.99Å; D243-S245 PolarHBondContact O-N 3.21Å; D243-C255 HydrophobicContact CB-CB 4.16Å; D243-K285 HydrophobicContact CB-CB 3.92Å; D243-K285 HydrophobicContact CB-CD 4.04Å; D243-K285 HydrophobicContact CB-CG 3.87Å; D243-K285 VanDerWaalsContact OD1-CD 3.27Å; D243-K285 WeakPolarHBondContact OD1-CD 3.3Å; D243-K285 WeakPolarHBondContact OD1-CE 3.47Å; D243-K285 IonicContact OD1-NZ 3.5Å; D243-K285 PolarHBondContact OD1-NZ 3.14Å; D243-R288 IonicContact OD2-CZ 2.83Å; D243-R288 IonicContact OD2-NH1 3.8Å; D243-R288 PolarHBondContact OD2-NH1 3.37Å; D243-R288 IonicContact OD2-NH2 2.86Å; D243-R288 PolarHBondContact OD2-NH2 3.37Å
244	K	92.4	Very high	82.8	Confident	153 Å²	153	41.1 Å²	41.1	67%	0.665	24%	0.239	S	C	*	.	B	Isolated β-bridge	trans	-60.3	122.1	-177	-170.9	169.3	-176.4	173.2	0	111.2	C255	K244-C255 WeakPolarHBondContact O-CA 3.36Å; K244-C255 WeakPolarHBondContact O-CB 3.37Å
245	S	90.5	Very high	85.1	Confident	9 Å²	9	37.2 Å²	37.2	6%	0.063	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-70.8	137.6	177.2	-166.8	0	0	0	0	110.3	M236 D243 G247 T254	M236-S245 WeakPolarHBondContact O-CA 3.47Å; M236-S245 WeakPolarHBondContact O-CB 3.47Å; M236-S245 PolarHBondContact O-N 3.45Å; D243-S245 PolarHBondContact O-N 3.21Å; S245-G247 VanDerWaalsContact C-N 3.3Å; S245-G247 PolarHBondContact OG-N 2.86Å; S245-G247 PolarHBondContact OG-O 3.48Å; S245-T254 PolarHBondContact OG-N 3.18Å; S245-T254 PolarHBondContact OG-O 3.49Å
246	S	88.3	Confident	87.1	Confident	60 Å²	60	36.6 Å²	36.6	42%	0.42	21%	0.206	S	C	.	.			trans	-97.5	16	168.7	50.6	0	0	0	0	111.5	H249 T254 E256	S246-H249 PolarHBondContact OG-NE2 2.81Å; S246-T254 PolarHBondContact N-O 3Å; S246-T254 PolarHBondContact OG-O 2.88Å; S246-E256 WeakPolarHBondContact CB-OE1 3.47Å; S246-E256 PolarHBondContact OG-N 3.31Å; S246-E256 PolarHBondContact OG-OE1 3.12Å
247	G	83.2	Confident	88.5	Confident	15 Å²	15	33.7 Å²	33.7	16%	0.155	20%	0.199	C	C	.	.	S	Bend	trans	106	-150.6	-179.3	0	0	0	0	0	113.1	S245 H249 Y253 T254	S245-G247 VanDerWaalsContact C-N 3.3Å; S245-G247 PolarHBondContact OG-N 2.86Å; S245-G247 PolarHBondContact OG-O 3.48Å; G247-H249 PolarHBondContact O-CD2 2.86Å; G247-Y253 WeakPolarHBondContact O-CA 3.36Å; G247-T254 PolarHBondContact O-N 3.49Å
248	L	78.1	Confident	89	Confident	30 Å²	30	31.9 Å²	31.9	16%	0.157	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.9	-170.9	-63.5	171.6	0	0	0	111.4	Y253 Y327 C331	L248-Y253 HydrophobicContact CD2-CD1 3.84Å; L248-Y253 HydrophobicContact CD2-CD2 3.61Å; L248-Y253 HydrophobicContact CD2-CE1 3.83Å; L248-Y253 HydrophobicContact CD2-CE2 3.58Å; L248-Y253 HydrophobicContact CD2-CG 3.74Å; L248-Y253 HydrophobicContact CG-CD1 4.31Å; L248-Y253 HydrophobicContact CG-CE1 4.02Å; L248-Y253 HydrophobicContact CG-CE2 4.47Å; L248-Y327 HydrophobicContact CD1-CD1 4.47Å; L248-Y327 HydrophobicContact CD2-CD1 4.04Å; L248-Y327 HydrophobicContact CD2-CE1 3.75Å; L248-C331 HydrophobicContact CD1-CB 3.64Å; L248-C331 HydrophobicContact CD2-CB 3.99Å; L248-C331 HydrophobicContact CG-CB 4.38Å
249	H	86.4	Confident	89.1	Confident	19 Å²	19	34.4 Å²	34.4	9%	0.088	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	129.1	175.1	-48.8	-75.7	0	0	0	109.5	S246 G247 G251 I252 T254 E256 K259	S246-H249 PolarHBondContact OG-NE2 2.81Å; G247-H249 PolarHBondContact O-CD2 2.86Å; H249-G251 PolarHBondContact O-N 3.49Å; H249-G251 VanDerWaalsContact O-N 3.11Å; H249-I252 PolarHBondContact N-O 3.49Å; H249-I252 PolarHBondContact O-N 2.96Å; H249-I252 VanDerWaalsContact O-O 3.14Å; H249-T254 PolarHBondContact CD2-O 3.07Å; H249-T254 VanDerWaalsContact CD2-O 3.22Å; H249-T254 PolarHBondContact CD2-OG1 2.95Å; H249-T254 PolarHBondContact NE2-O 3.3Å; H249-E256 IonicContact CE1-OE1 3.01Å; H249-E256 PolarHBondContact CE1-OE1 3.29Å; H249-E256 IonicContact NE2-OE1 2.84Å; H249-K259 HydrophobicContact CB-CB 3.87Å; H249-K259 HydrophobicContact CB-CD 4.42Å; H249-K259 HydrophobicContact CB-CG 3.8Å; H249-K259 VanDerWaalsContact ND1-CD 3.34Å; H249-K259 WeakPolarHBondContact ND1-CD 3.29Å; H249-K259 WeakPolarHBondContact ND1-CE 3.23Å
250	Y	83	Confident	89.4	Confident	27 Å²	27	31.8 Å²	31.8	11%	0.106	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	34.8	179.4	-46.2	-64.6	0	0	0	113.9	K259 F262 K263 M304 I305 A308 V309	Y250-K259 HydrophobicContact CE2-CB 4.49Å; Y250-K259 HydrophobicContact CE2-CG 3.92Å; Y250-K259 WeakPolarHBondContact CE2-O 3.46Å; Y250-F262 HydrophobicContact CD1-CD1 4.42Å; Y250-F262 HydrophobicContact CD2-CB 4.37Å; Y250-F262 AromaticContact CD2-CD1 3.59Å; Y250-F262 HydrophobicContact CD2-CD1 3.59Å; Y250-F262 HydrophobicContact CD2-CE1 4.37Å; Y250-F262 HydrophobicContact CD2-CG 4.37Å; Y250-F262 HydrophobicContact CE2-CD1 4.27Å; Y250-F262 AromaticContact CG-CD1 3.69Å; Y250-F262 HydrophobicContact CG-CD1 3.69Å; Y250-F262 HydrophobicContact CG-CE1 4.01Å; Y250-K263 HydrophobicContact CE2-CB 4.23Å; Y250-M304 HydrophobicContact CD2-CE 4.09Å; Y250-M304 CarbonylContact O-C 3.51Å; Y250-M304 VanDerWaalsContact O-CA 3.31Å; Y250-M304 WeakPolarHBondContact O-CA 3.45Å; Y250-I305 PolarHBondContact O-N 3.14Å; Y250-A308 HydrophobicContact CD1-CB 3.86Å; Y250-A308 WeakPolarHBondContact CD1-O 3.16Å; Y250-A308 WeakPolarHBondContact CE1-O 3.18Å; Y250-V309 HydrophobicContact CD1-CG2 3.57Å; Y250-V309 HydrophobicContact CE1-CB 4.28Å; Y250-V309 HydrophobicContact CE1-CG2 3.53Å; Y250-V309 HydrophobicContact CG-CG2 4.16Å
251	G	72.1	Confident	89.6	Confident	3 Å²	3	32.2 Å²	32.2	3%	0.031	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	16.2	176.5	0	0	0	0	0	116.9	H249 Y327	H249-G251 PolarHBondContact O-N 3.49Å; H249-G251 VanDerWaalsContact O-N 3.11Å; G251-Y327 VanDerWaalsContact C-CE1 3.48Å; G251-Y327 WeakPolarHBondContact O-CE1 3.42Å; G251-Y327 WeakPolarHBondContact O-CE2 3.44Å; G251-Y327 PolarHBondContact O-OH 2.84Å
252	I	74.3	Confident	89.6	Confident	5 Å²	5	32 Å²	32	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	163.4	162.5	47.6	160.4	0	0	0	113.1	I239 I240 H249 T254 K302 M304	I239-I252 HydrophobicContact CD1-CB 4.44Å; I240-I252 HydrophobicContact CD1-CD1 3.66Å; I240-I252 HydrophobicContact CG1-CD1 3.86Å; H249-I252 PolarHBondContact N-O 3.49Å; H249-I252 PolarHBondContact O-N 2.96Å; H249-I252 VanDerWaalsContact O-O 3.14Å; I252-T254 HydrophobicContact CD1-CG2 3.71Å; I252-T254 HydrophobicContact CG1-CG2 3.99Å; I252-T254 PolarHBondContact O-N 3.2Å; I252-K302 HydrophobicContact CD1-CB 4.13Å; I252-K302 WeakPolarHBondContact CG2-O 3.22Å; I252-M304 HydrophobicContact CD1-CE 4.36Å; I252-M304 HydrophobicContact CD1-CG 3.46Å; I252-M304 VanDerWaalsContact CD1-CG 3.46Å; I252-M304 HydrophobicContact CD1-SD 4.07Å; I252-M304 HydrophobicContact CG1-CE 4.14Å; I252-M304 HydrophobicContact CG1-CG 3.5Å; I252-M304 HydrophobicContact CG1-SD 4.35Å
253	Y	83.8	Confident	89.6	Confident	55 Å²	55	33.2 Å²	33.2	22%	0.216	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	115.2	169.7	-77.8	-76.8	0	0	0	112.3	I239 G247 L248 C331	I239-Y253 PolarHBondContact N-O 3.33Å; G247-Y253 WeakPolarHBondContact O-CA 3.36Å; L248-Y253 HydrophobicContact CD2-CD1 3.84Å; L248-Y253 HydrophobicContact CD2-CD2 3.61Å; L248-Y253 HydrophobicContact CD2-CE1 3.83Å; L248-Y253 HydrophobicContact CD2-CE2 3.58Å; L248-Y253 HydrophobicContact CD2-CG 3.74Å; L248-Y253 HydrophobicContact CG-CD1 4.31Å; L248-Y253 HydrophobicContact CG-CE1 4.02Å; L248-Y253 HydrophobicContact CG-CE2 4.47Å; Y253-C331 HydrophobicContact CE2-CB 3.84Å
254	T	87.8	Confident	89.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.			trans	-144.4	158.2	177.7	51.8	0	0	0	0	114.6	C238 I240 S245 S246 G247 H249 I252 C258 M304	C238-T254 VanDerWaalsContact SG-CA 3.58Å; I240-T254 HydrophobicContact CB-CG2 4.46Å; I240-T254 HydrophobicContact CG1-CG2 3.67Å; S245-T254 PolarHBondContact OG-N 3.18Å; S245-T254 PolarHBondContact OG-O 3.49Å; S246-T254 PolarHBondContact N-O 3Å; S246-T254 PolarHBondContact OG-O 2.88Å; G247-T254 PolarHBondContact O-N 3.49Å; H249-T254 PolarHBondContact CD2-O 3.07Å; H249-T254 VanDerWaalsContact CD2-O 3.22Å; H249-T254 PolarHBondContact CD2-OG1 2.95Å; H249-T254 PolarHBondContact NE2-O 3.3Å; I252-T254 HydrophobicContact CD1-CG2 3.71Å; I252-T254 HydrophobicContact CG1-CG2 3.99Å; I252-T254 PolarHBondContact O-N 3.2Å; T254-C258 HydrophobicContact CG2-CB 4.27Å; T254-M304 HydrophobicContact CG2-CE 3.75Å; T254-M304 HydrophobicContact CG2-SD 4.42Å
255	C	96.7	Very high	89.7	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.014	16%	0.163	C	C	.	.			trans	-74.1	157.1	167.8	61.1	0	0	0	0	111.2	C238 D243 K244 G257 C258 K259 R288	C238-C255 HydrophobicContact CB-CB 4.05Å; C238-C255 PolarHBondContact SG-N 3.47Å; C238-C255 VanDerWaalsContact SG-N 3.41Å; D243-C255 HydrophobicContact CB-CB 4.16Å; K244-C255 WeakPolarHBondContact O-CA 3.36Å; K244-C255 WeakPolarHBondContact O-CB 3.37Å; C255-G257 PolarHBondContact O-N 3.32Å; C255-G257 VanDerWaalsContact O-N 3.11Å; C255-C258 PolarHBondContact O-N 3.41Å; C255-C258 PolarHBondContact SG-N 2.74Å; C255-K259 PolarHBondContact O-N 2.83Å; C255-R288 PolarHBondContact SG-NH1 2.85Å
256	E	95.8	Very high	89.6	Confident	100 Å²	100	32.2 Å²	32.2	47%	0.467	17%	0.166	S	C	.	.	H	α-helix	trans	-50.9	-36.3	173.9	-69.1	-58.6	117.9	0	0	112.8	S246 H249 C258 K259 G260	S246-E256 WeakPolarHBondContact CB-OE1 3.47Å; S246-E256 PolarHBondContact OG-N 3.31Å; S246-E256 PolarHBondContact OG-OE1 3.12Å; H249-E256 IonicContact CE1-OE1 3.01Å; H249-E256 PolarHBondContact CE1-OE1 3.29Å; H249-E256 IonicContact NE2-OE1 2.84Å; E256-C258 VanDerWaalsContact C-N 3.34Å; E256-C258 PolarHBondContact O-N 2.88Å; E256-K259 VanDerWaalsContact OE1-CD 3.3Å; E256-K259 WeakPolarHBondContact OE1-CD 3.46Å; E256-K259 IonicContact OE1-NZ 3.21Å; E256-K259 PolarHBondContact OE1-NZ 3.26Å; E256-K259 WeakPolarHBondContact OE2-CD 3.35Å; E256-K259 WeakPolarHBondContact OE2-CE 3.35Å; E256-K259 IonicContact OE2-NZ 3.6Å; E256-K259 PolarHBondContact OE2-NZ 3.29Å; E256-G260 PolarHBondContact O-N 3.3Å
257	G	97	Very high	89.7	Confident	30 Å²	30	31.2 Å²	31.2	31%	0.309	16%	0.155	S	C	.	.	H	α-helix	trans	-62.5	-35.3	177.4	0	0	0	0	0	113.9	C255 F261 R295	C255-G257 PolarHBondContact O-N 3.32Å; C255-G257 VanDerWaalsContact O-N 3.11Å; G257-F261 VanDerWaalsContact O-CB 3.26Å; G257-F261 WeakPolarHBondContact O-CB 3.19Å; G257-F261 PolarHBondContact O-N 2.94Å; G257-R295 PolarHBondContact O-NH2 3.33Å
258	C	97.7	Very high	90	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-87.3	-38.4	178.2	-74.4	0	0	0	0	112.4	I240 C241 T254 C255 E256 F261 F262 R295	I240-C258 HydrophobicContact CB-CB 4.3Å; I240-C258 HydrophobicContact CG2-CB 4.41Å; C241-C258 VanDerWaalsContact SG-SG 3.62Å; T254-C258 HydrophobicContact CG2-CB 4.27Å; C255-C258 PolarHBondContact O-N 3.41Å; C255-C258 PolarHBondContact SG-N 2.74Å; E256-C258 VanDerWaalsContact C-N 3.34Å; E256-C258 PolarHBondContact O-N 2.88Å; C258-F261 PolarHBondContact O-N 3.07Å; C258-F262 WeakPolarHBondContact O-CB 3.28Å; C258-F262 PolarHBondContact O-N 3.21Å; C258-R295 PolarHBondContact SG-NH2 3.28Å
259	K	95.9	Very high	90.5	Very high	55 Å²	55	35.9 Å²	35.9	24%	0.239	17%	0.173	C	C	.	.	H	α-helix	trans	-50	-56.6	166	169.9	-159.7	-166.1	180	0	111.5	H249 Y250 C255 E256 F261 F262 K263	H249-K259 HydrophobicContact CB-CB 3.87Å; H249-K259 HydrophobicContact CB-CD 4.42Å; H249-K259 HydrophobicContact CB-CG 3.8Å; H249-K259 VanDerWaalsContact ND1-CD 3.34Å; H249-K259 WeakPolarHBondContact ND1-CD 3.29Å; H249-K259 WeakPolarHBondContact ND1-CE 3.23Å; Y250-K259 HydrophobicContact CE2-CB 4.49Å; Y250-K259 HydrophobicContact CE2-CG 3.92Å; Y250-K259 WeakPolarHBondContact CE2-O 3.46Å; C255-K259 PolarHBondContact O-N 2.83Å; E256-K259 VanDerWaalsContact OE1-CD 3.3Å; E256-K259 WeakPolarHBondContact OE1-CD 3.46Å; E256-K259 IonicContact OE1-NZ 3.21Å; E256-K259 PolarHBondContact OE1-NZ 3.26Å; E256-K259 WeakPolarHBondContact OE2-CD 3.35Å; E256-K259 WeakPolarHBondContact OE2-CE 3.35Å; E256-K259 IonicContact OE2-NZ 3.6Å; E256-K259 PolarHBondContact OE2-NZ 3.29Å; K259-F261 VanDerWaalsContact C-N 3.34Å; K259-F261 PolarHBondContact O-N 3.22Å; K259-F262 PolarHBondContact O-N 3.4Å; K259-K263 WeakPolarHBondContact O-CB 3.42Å; K259-K263 PolarHBondContact O-N 3.27Å
260	G	96.3	Very high	90.8	Very high	17 Å²	17	40.9 Å²	40.9	18%	0.175	19%	0.19	C	C	.	.	H	α-helix	trans	-65.9	-33.8	-179.1	0	0	0	0	0	113.3	E256 R264	E256-G260 PolarHBondContact O-N 3.3Å; G260-R264 WeakPolarHBondContact O-CB 3.47Å; G260-R264 VanDerWaalsContact O-CG 3.3Å; G260-R264 WeakPolarHBondContact O-CG 3.32Å; G260-R264 PolarHBondContact O-N 3.13Å; G260-R264 PolarHBondContact O-NH1 3Å
261	F	98	Very high	91.2	Very high	10 Å²	10	43 Å²	43	4%	0.044	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-48.4	173	170.3	-97	0	0	0	112.1	G257 C258 K259 R264 T265 Y272 Q292 R295 F296	G257-F261 VanDerWaalsContact O-CB 3.26Å; G257-F261 WeakPolarHBondContact O-CB 3.19Å; G257-F261 PolarHBondContact O-N 2.94Å; C258-F261 PolarHBondContact O-N 3.07Å; K259-F261 VanDerWaalsContact C-N 3.34Å; K259-F261 PolarHBondContact O-N 3.22Å; F261-R264 PolarHBondContact O-N 2.89Å; F261-T265 WeakPolarHBondContact O-CB 3.37Å; F261-T265 PolarHBondContact O-N 3.09Å; F261-T265 PolarHBondContact O-OG1 2.9Å; F261-Y272 AromaticContact CE2-CE2 3.81Å; F261-Y272 HydrophobicContact CE2-CE2 3.81Å; F261-Y272 HydrophobicContact CZ-CD2 4.32Å; F261-Y272 AromaticContact CZ-CE2 3.66Å; F261-Y272 HydrophobicContact CZ-CE2 3.66Å; F261-Q292 HydrophobicContact CE2-CB 4.14Å; F261-Q292 HydrophobicContact CE2-CG 4.22Å; F261-Q292 HydrophobicContact CZ-CB 4.38Å; F261-Q292 WeakPolarHBondContact CZ-O 3.28Å; F261-R295 VanDerWaalsContact CD1-CD 3.47Å; F261-R295 HydrophobicContact CD1-CG 3.83Å; F261-R295 HydrophobicContact CE1-CB 3.92Å; F261-R295 HydrophobicContact CE1-CG 3.63Å; F261-R295 HydrophobicContact CG-CG 4.47Å; F261-R295 HydrophobicContact CZ-CB 4.02Å; F261-R295 HydrophobicContact CZ-CG 4.12Å; F261-F296 HydrophobicContact CE1-CB 3.84Å; F261-F296 HydrophobicContact CE1-CD2 4.09Å; F261-F296 HydrophobicContact CE1-CG 4.47Å; F261-F296 HydrophobicContact CZ-CB 3.95Å
262	F	95.3	Very high	92.2	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-50.8	178.1	-171.8	-99.8	0	0	0	110.9	Y250 C258 K259 R264 T265 V266 F296 C299 L300 M304 I305 L306 V309	Y250-F262 HydrophobicContact CD1-CD1 4.42Å; Y250-F262 HydrophobicContact CD2-CB 4.37Å; Y250-F262 AromaticContact CD2-CD1 3.59Å; Y250-F262 HydrophobicContact CD2-CD1 3.59Å; Y250-F262 HydrophobicContact CD2-CE1 4.37Å; Y250-F262 HydrophobicContact CD2-CG 4.37Å; Y250-F262 HydrophobicContact CE2-CD1 4.27Å; Y250-F262 AromaticContact CG-CD1 3.69Å; Y250-F262 HydrophobicContact CG-CD1 3.69Å; Y250-F262 HydrophobicContact CG-CE1 4.01Å; C258-F262 WeakPolarHBondContact O-CB 3.28Å; C258-F262 PolarHBondContact O-N 3.21Å; K259-F262 PolarHBondContact O-N 3.4Å; F262-R264 PolarHBondContact O-N 3.45Å; F262-T265 PolarHBondContact O-N 3.44Å; F262-V266 HydrophobicContact CD1-CG2 4.25Å; F262-V266 HydrophobicContact CE1-CG2 3.92Å; F262-V266 HydrophobicContact CE2-CG2 4.27Å; F262-V266 HydrophobicContact CZ-CG2 3.92Å; F262-V266 PolarHBondContact O-N 2.83Å; F262-F296 AromaticContact CD2-CD2 3.95Å; F262-F296 HydrophobicContact CD2-CD2 3.95Å; F262-F296 AromaticContact CD2-CE2 3.49Å; F262-F296 HydrophobicContact CD2-CE2 3.49Å; F262-F296 VanDerWaalsContact CD2-CE2 3.49Å; F262-F296 HydrophobicContact CE2-CD2 4.29Å; F262-F296 AromaticContact CE2-CE2 3.53Å; F262-F296 HydrophobicContact CE2-CE2 3.53Å; F262-F296 HydrophobicContact CE2-CZ 4.14Å; F262-F296 HydrophobicContact CG-CE2 4.46Å; F262-C299 HydrophobicContact CD2-CB 3.72Å; F262-C299 HydrophobicContact CE2-CB 4.16Å; F262-L300 HydrophobicContact CE2-CD2 4.26Å; F262-M304 HydrophobicContact CB-CE 4.19Å; F262-M304 HydrophobicContact CB-SD 3.99Å; F262-M304 HydrophobicContact CD1-CB 4.29Å; F262-M304 HydrophobicContact CD2-CB 3.75Å; F262-M304 HydrophobicContact CD2-CG 4.38Å; F262-M304 HydrophobicContact CD2-SD 3.87Å; F262-M304 HydrophobicContact CE1-CB 3.99Å; F262-M304 HydrophobicContact CE2-CB 3.41Å; F262-M304 VanDerWaalsContact CE2-CB 3.41Å; F262-M304 HydrophobicContact CE2-CG 4.48Å; F262-M304 HydrophobicContact CG-CB 4.18Å; F262-M304 HydrophobicContact CG-CE 4.34Å; F262-M304 HydrophobicContact CG-SD 3.9Å; F262-M304 HydrophobicContact CZ-CB 3.54Å; F262-M304 VanDerWaalsContact CZ-O 3.32Å; F262-M304 WeakPolarHBondContact CZ-O 3.35Å; F262-I305 WeakPolarHBondContact CE1-O 3.39Å; F262-L306 HydrophobicContact CE2-CD2 4.38Å; F262-L306 HydrophobicContact CZ-CD2 3.92Å; F262-L306 HydrophobicContact CZ-CG 4.29Å; F262-V309 HydrophobicContact CD1-CG2 3.74Å; F262-V309 HydrophobicContact CE1-CG2 3.63Å
263	K	94	Very high	93.1	Very high	85 Å²	85	53.5 Å²	53.5	37%	0.37	25%	0.245	S	C	.	.	H	α-helix	trans	-51	-51.5	175.2	-171.4	-175.9	179.5	-177.1	0	112	Y250 K259 T265 V266 Q267 V309	Y250-K263 HydrophobicContact CE2-CB 4.23Å; K259-K263 WeakPolarHBondContact O-CB 3.42Å; K259-K263 PolarHBondContact O-N 3.27Å; K263-T265 VanDerWaalsContact C-N 3.29Å; K263-T265 PolarHBondContact O-N 2.66Å; K263-V266 PolarHBondContact O-N 2.87Å; K263-Q267 HydrophobicContact CG-CG 4.17Å; K263-Q267 VanDerWaalsContact O-CB 3.32Å; K263-Q267 WeakPolarHBondContact O-CB 3.23Å; K263-Q267 WeakPolarHBondContact O-CG 3.3Å; K263-Q267 PolarHBondContact O-N 3.4Å; K263-V309 HydrophobicContact CG-CG1 4.14Å
264	R	94.7	Very high	93.7	Very high	142 Å²	142	51.9 Å²	51.9	54%	0.536	24%	0.241	S	C	.	.	H	α-helix	trans	-68	-24.8	-179.8	-73.8	-172.5	-57.5	-94.8	1.4	113.8	G260 F261 F262 N268	G260-R264 WeakPolarHBondContact O-CB 3.47Å; G260-R264 VanDerWaalsContact O-CG 3.3Å; G260-R264 WeakPolarHBondContact O-CG 3.32Å; G260-R264 PolarHBondContact O-N 3.13Å; G260-R264 PolarHBondContact O-NH1 3Å; F261-R264 PolarHBondContact O-N 2.89Å; F262-R264 PolarHBondContact O-N 3.45Å; R264-N268 PolarHBondContact O-ND2 3.45Å
265	T	94.7	Very high	93.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-75	-48.8	176.7	-53.7	0	0	0	0	110.1	W196 F261 F262 K263 K269 R270 Y272 F296	W196-T265 HydrophobicContact CH2-CG2 4.3Å; W196-T265 HydrophobicContact CZ3-CG2 4.11Å; F261-T265 WeakPolarHBondContact O-CB 3.37Å; F261-T265 PolarHBondContact O-N 3.09Å; F261-T265 PolarHBondContact O-OG1 2.9Å; F262-T265 PolarHBondContact O-N 3.44Å; K263-T265 VanDerWaalsContact C-N 3.29Å; K263-T265 PolarHBondContact O-N 2.66Å; T265-K269 PolarHBondContact O-N 2.97Å; T265-R270 HydrophobicContact CG2-CB 4.16Å; T265-R270 PolarHBondContact O-N 2.95Å; T265-Y272 HydrophobicContact CG2-CD2 4.31Å; T265-Y272 HydrophobicContact CG2-CE2 3.51Å; T265-Y272 WeakPolarHBondContact OG1-CE2 3.45Å; T265-Y272 PolarHBondContact OG1-OH 3.34Å; T265-F296 HydrophobicContact CG2-CD1 4.08Å; T265-F296 HydrophobicContact CG2-CD2 3.49Å; T265-F296 VanDerWaalsContact CG2-CD2 3.49Å; T265-F296 HydrophobicContact CG2-CE1 4.03Å; T265-F296 HydrophobicContact CG2-CE2 3.45Å; T265-F296 VanDerWaalsContact CG2-CE2 3.45Å; T265-F296 HydrophobicContact CG2-CG 3.82Å; T265-F296 HydrophobicContact CG2-CZ 3.73Å
266	V	89.3	Confident	93.6	Very high	22 Å²	22	60.9 Å²	60.9	13%	0.133	30%	0.296	C	S	.	.	H	α-helix	trans	-69.6	-52.2	-179.4	-177.9	0	0	0	0	111.9	W196 F262 K263 N268 K269 F296 L306 V309	W196-V266 HydrophobicContact CH2-CG2 4.46Å; F262-V266 HydrophobicContact CD1-CG2 4.25Å; F262-V266 HydrophobicContact CE1-CG2 3.92Å; F262-V266 HydrophobicContact CE2-CG2 4.27Å; F262-V266 HydrophobicContact CZ-CG2 3.92Å; F262-V266 PolarHBondContact O-N 2.83Å; K263-V266 PolarHBondContact O-N 2.87Å; V266-N268 PolarHBondContact O-N 2.98Å; V266-K269 PolarHBondContact O-N 2.6Å; V266-F296 HydrophobicContact CG2-CE2 4.15Å; V266-F296 HydrophobicContact CG2-CZ 4.16Å; V266-L306 HydrophobicContact CG1-CD2 4.49Å; V266-L306 HydrophobicContact CG2-CD2 3.64Å; V266-V309 HydrophobicContact CB-CB 4.19Å; V266-V309 HydrophobicContact CB-CG1 4.1Å; V266-V309 HydrophobicContact CB-CG2 4.13Å; V266-V309 HydrophobicContact CG1-CB 3.95Å; V266-V309 HydrophobicContact CG1-CG1 4.13Å; V266-V309 HydrophobicContact CG1-CG2 4.3Å; V266-V309 HydrophobicContact CG2-CG2 4.25Å
267	Q	89	Confident	93.2	Very high	39 Å²	39	58.8 Å²	58.8	18%	0.182	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.5	-178.3	-70.9	-165.7	-46.1	0	0	114.8	K263 V309 R310	K263-Q267 HydrophobicContact CG-CG 4.17Å; K263-Q267 VanDerWaalsContact O-CB 3.32Å; K263-Q267 WeakPolarHBondContact O-CB 3.23Å; K263-Q267 WeakPolarHBondContact O-CG 3.3Å; K263-Q267 PolarHBondContact O-N 3.4Å; Q267-V309 HydrophobicContact CG-CG1 3.46Å; Q267-V309 VanDerWaalsContact CG-CG1 3.46Å; Q267-R310 WeakPolarHBondContact CG-O 3.48Å; Q267-R310 PolarHBondContact NE2-O 3.3Å
268	N	90.1	Very high	92.8	Very high	66 Å²	66	60.6 Å²	60.6	35%	0.353	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	18.5	178.4	-50	-77.5	0	0	0	111.8	R264 V266 R270 R313	R264-N268 PolarHBondContact O-ND2 3.45Å; V266-N268 PolarHBondContact O-N 2.98Å; N268-R270 HydrophobicContact CB-CG 4.03Å; N268-R270 WeakPolarHBondContact O-CG 3.37Å; N268-R270 PolarHBondContact O-N 3.05Å; N268-R313 PolarHBondContact OD1-NH2 2.78Å
269	K	88.8	Confident	92.3	Very high	77 Å²	77	61.1 Å²	61.1	34%	0.335	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.7	43.1	173.5	-59.2	176.2	-174.9	165.3	0	113.4	N193 W196 T265 V266 V271 E311	N193-K269 PolarHBondContact OD1-NZ 3.05Å; W196-K269 HydrophobicContact CD2-CB 3.89Å; W196-K269 HydrophobicContact CD2-CG 4.49Å; W196-K269 VanDerWaalsContact CE3-C 3.42Å; W196-K269 HydrophobicContact CG-CB 3.92Å; T265-K269 PolarHBondContact O-N 2.97Å; V266-K269 PolarHBondContact O-N 2.6Å; K269-V271 PolarHBondContact O-N 2.94Å; K269-E311 VanDerWaalsContact CE-OE1 3.27Å; K269-E311 WeakPolarHBondContact CE-OE1 3.36Å; K269-E311 IonicContact NZ-OE1 2.71Å; K269-E311 PolarHBondContact NZ-OE1 3.07Å
270	R	92	Very high	92.1	Very high	123 Å²	123	65 Å²	65	46%	0.464	33%	0.326	S	S	.	.			trans	-79.5	118	-166.8	-71	-175.1	173.8	-140.4	-0.7	112.5	W196 Y200 T265 N268 Y272	W196-R270 WeakPolarHBondContact CZ3-O 3.35Å; Y200-R270 PolarHBondContact OH-O 3.04Å; T265-R270 HydrophobicContact CG2-CB 4.16Å; T265-R270 PolarHBondContact O-N 2.95Å; N268-R270 HydrophobicContact CB-CG 4.03Å; N268-R270 WeakPolarHBondContact O-CG 3.37Å; N268-R270 PolarHBondContact O-N 3.05Å; R270-Y272 HydrophobicContact CB-CE1 3.96Å; R270-Y272 HydrophobicContact CB-CE2 4.35Å; R270-Y272 WeakPolarHBondContact CD-OH 3.43Å
271	V	91.4	Very high	92	Very high	73 Å²	73	65.3 Å²	65.3	44%	0.442	33%	0.325	S	S	.	.			trans	-89.6	117.9	167.9	-173.3	0	0	0	0	109.4	W196 H199 K269	W196-V271 HydrophobicContact CB-CG2 3.94Å; W196-V271 HydrophobicContact CE3-CG2 4.36Å; H199-V271 HydrophobicContact CB-CG1 3.93Å; K269-V271 PolarHBondContact O-N 2.94Å
272	Y	94.6	Very high	91.8	Very high	24 Å²	24	67.5 Å²	67.5	9%	0.094	35%	0.345	C	S	.	.			trans	-104.7	150.9	172.7	-53.1	-59	0	0	0	109.6	H199 Y200 F261 T265 R270 Q292 Y293 F296	H199-Y272 PolarHBondContact CD2-O 3.23Å; H199-Y272 VanDerWaalsContact CD2-O 3.3Å; H199-Y272 PolarHBondContact NE2-O 2.82Å; H199-Y272 VanDerWaalsContact NE2-O 3.07Å; Y200-Y272 WeakPolarHBondContact OH-CD2 3.38Å; Y200-Y272 PolarHBondContact OH-N 3.02Å; F261-Y272 AromaticContact CE2-CE2 3.81Å; F261-Y272 HydrophobicContact CE2-CE2 3.81Å; F261-Y272 HydrophobicContact CZ-CD2 4.32Å; F261-Y272 AromaticContact CZ-CE2 3.66Å; F261-Y272 HydrophobicContact CZ-CE2 3.66Å; T265-Y272 HydrophobicContact CG2-CD2 4.31Å; T265-Y272 HydrophobicContact CG2-CE2 3.51Å; T265-Y272 WeakPolarHBondContact OG1-CE2 3.45Å; T265-Y272 PolarHBondContact OG1-OH 3.34Å; R270-Y272 HydrophobicContact CB-CE1 3.96Å; R270-Y272 HydrophobicContact CB-CE2 4.35Å; R270-Y272 WeakPolarHBondContact CD-OH 3.43Å; Y272-Q292 HydrophobicContact CD1-CB 3.67Å; Y272-Q292 HydrophobicContact CD1-CG 4.47Å; Y272-Q292 HydrophobicContact CD2-CB 3.72Å; Y272-Q292 HydrophobicContact CE1-CB 3.93Å; Y272-Q292 HydrophobicContact CE1-CG 4.39Å; Y272-Q292 HydrophobicContact CE2-CB 3.98Å; Y272-Q292 HydrophobicContact CG-CB 3.56Å; Y272-Y293 VanDerWaalsContact O-CD2 3.23Å; Y272-Y293 WeakPolarHBondContact O-CD2 3.47Å; Y272-F296 HydrophobicContact CD2-CB 4.38Å
273	R	93.1	Very high	91.8	Very high	204 Å²	204	68.1 Å²	68.1	77%	0.77	35%	0.349	S	S	*	.			trans	-105.7	156.7	167.1	-72.5	-175.7	-84.7	-97.9	6.8	110.7	V275 Y293	R273-V275 PolarHBondContact O-N 2.79Å; R273-Y293 VanDerWaalsContact C-CB 3.44Å; R273-Y293 WeakPolarHBondContact O-CB 3.47Å
274	C	95.2	Very high	91.9	Very high	20 Å²	20	66.3 Å²	66.3	14%	0.135	35%	0.345	C	S	.	.			trans	-69.1	131.1	174.8	-170.2	0	0	0	0	110.5	V276 G277 D278 C281 Y293	C274-V276 PolarHBondContact O-N 3.01Å; C274-V276 PolarHBondContact SG-N 3.44Å; C274-G277 PolarHBondContact O-N 3.39Å; C274-G277 VanDerWaalsContact O-N 3.14Å; C274-D278 PolarHBondContact SG-OD1 3.36Å; C274-C281 VanDerWaalsContact SG-SG 3.63Å; C274-Y293 HydrophobicContact CB-CD1 3.68Å; C274-Y293 HydrophobicContact CB-CE1 4.29Å; C274-Y293 HydrophobicContact CB-CG 4.27Å
275	V	92.3	Very high	91.9	Very high	105 Å²	105	64.5 Å²	64.5	64%	0.636	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.6	177.9	179.4	0	0	0	0	112.4	R273 R290 C291	R273-V275 PolarHBondContact O-N 2.79Å; V275-R290 WeakPolarHBondContact CG2-O 3.44Å; V275-C291 HydrophobicContact CG2-CB 4.39Å
276	V	91.3	Very high	92	Very high	87 Å²	87	71.2 Å²	71.2	53%	0.527	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-2.1	176	-178.6	0	0	0	0	111.4	C274 D278 C281	C274-V276 PolarHBondContact O-N 3.01Å; C274-V276 PolarHBondContact SG-N 3.44Å; V276-D278 HydrophobicContact CG1-CB 4.31Å; V276-D278 PolarHBondContact O-N 3.48Å; V276-C281 VanDerWaalsContact CG2-SG 3.56Å
277	G	87.4	Confident	92.2	Very high	56 Å²	56	73.5 Å²	73.5	58%	0.577	38%	0.381	S	S	*	.	S	Bend	trans	74.1	-35.1	-173.1	0	0	0	0	0	115.1	C274 G279	C274-G277 PolarHBondContact O-N 3.39Å; C274-G277 VanDerWaalsContact O-N 3.14Å; G277-G279 VanDerWaalsContact C-N 3.32Å; G277-G279 PolarHBondContact O-N 2.84Å
278	D	88.5	Confident	92.5	Very high	67 Å²	67	73.4 Å²	73.4	36%	0.358	38%	0.38	S	S	.	.	S	Bend	trans	-68.7	-12.2	-169.9	74.1	-12.7	0	0	0	117.9	C274 V276 K280	C274-D278 PolarHBondContact SG-OD1 3.36Å; V276-D278 HydrophobicContact CG1-CB 4.31Å; V276-D278 PolarHBondContact O-N 3.48Å; D278-K280 VanDerWaalsContact C-N 3.28Å; D278-K280 WeakPolarHBondContact O-CG 3.4Å; D278-K280 PolarHBondContact O-N 3.33Å; D278-K280 PolarHBondContact OD1-N 3.03Å; D278-K280 WeakPolarHBondContact OD2-CB 3.43Å
279	G	87.2	Confident	92.8	Very high	11 Å²	11	76 Å²	76	11%	0.113	39%	0.394	C	S	.	.	S	Bend	trans	69	5.6	-172.4	0	0	0	0	0	117	G277 C294	G277-G279 VanDerWaalsContact C-N 3.32Å; G277-G279 PolarHBondContact O-N 2.84Å; G279-C294 PolarHBondContact O-SG 2.92Å
280	K	91.1	Very high	93.1	Very high	137 Å²	137	80.6 Å²	80.6	60%	0.596	41%	0.408	S	S	*	.			trans	-113.5	2.3	-164.5	-65.7	157.7	-171.2	174.6	0	115.5	Q206 D278 A282	Q206-K280 VanDerWaalsContact OE1-CE 3.3Å; D278-K280 VanDerWaalsContact C-N 3.28Å; D278-K280 WeakPolarHBondContact O-CG 3.4Å; D278-K280 PolarHBondContact O-N 3.33Å; D278-K280 PolarHBondContact OD1-N 3.03Å; D278-K280 WeakPolarHBondContact OD2-CB 3.43Å; K280-A282 PolarHBondContact O-N 3.29Å
281	C	94.4	Very high	93.4	Very high	23 Å²	23	75 Å²	75	16%	0.155	39%	0.388	C	S	.	.			trans	-46.2	130.3	178.1	-57.5	0	0	0	0	113.7	C274 V276 C291 C294	C274-C281 VanDerWaalsContact SG-SG 3.63Å; V276-C281 VanDerWaalsContact CG2-SG 3.56Å; C281-C291 HydrophobicContact CB-CB 3.65Å; C281-C294 HydrophobicContact CB-CB 3.9Å; C281-C294 PolarHBondContact N-SG 3.16Å; C281-C294 VanDerWaalsContact N-SG 3.45Å
282	A	93.8	Very high	93.6	Very high	56 Å²	56	75.8 Å²	75.8	46%	0.463	39%	0.387	S	S	.	.			trans	-61.1	148.4	177.5	0	0	0	0	0	112.6	K280 Q287	K280-A282 PolarHBondContact O-N 3.29Å; A282-Q287 WeakPolarHBondContact O-CG 3.42Å
283	V	95.4	Very high	93.7	Very high	13 Å²	13	74.8 Å²	74.8	8%	0.079	38%	0.383	C	S	.	.			trans	-130.9	90	-179	-173.6	0	0	0	0	108.8	I240 C241 R288 C294 R295 K298	I240-V283 HydrophobicContact CG2-CG1 4.26Å; I240-V283 VanDerWaalsContact O-CG1 3.3Å; I240-V283 WeakPolarHBondContact O-CG1 3.05Å; C241-V283 HydrophobicContact CB-CG1 4.19Å; V283-R288 HydrophobicContact CG1-CB 3.89Å; V283-C294 HydrophobicContact CG2-CB 4.43Å; V283-R295 HydrophobicContact CG1-CB 4.47Å; V283-R295 HydrophobicContact CG1-CG 4.17Å; V283-K298 HydrophobicContact CB-CD 3.8Å; V283-K298 HydrophobicContact CG1-CD 4.25Å; V283-K298 HydrophobicContact CG2-CD 4.1Å; V283-K298 PolarHBondContact O-NZ 3.4Å
284	T	95.8	Very high	93.9	Very high	48 Å²	48	65.4 Å²	65.4	29%	0.294	35%	0.349	S	S	.	.			trans	-110.1	175.1	172.6	70	0	0	0	0	110.1	C241 E286 Q287 R288	C241-T284 CarbonylContact O-C 3.28Å; C241-T284 VanDerWaalsContact O-C 3.28Å; C241-T284 WeakPolarHBondContact O-CA 3.43Å; T284-E286 WeakPolarHBondContact CB-OE2 3.47Å; T284-E286 PolarHBondContact O-N 2.95Å; T284-E286 PolarHBondContact OG1-OE2 3.37Å; T284-Q287 WeakPolarHBondContact OG1-CG 3.42Å; T284-Q287 PolarHBondContact OG1-NE2 2.93Å; T284-R288 WeakPolarHBondContact O-CA 3.27Å; T284-R288 WeakPolarHBondContact O-CB 3.44Å; T284-R288 WeakPolarHBondContact O-CG 3.24Å; T284-R288 PolarHBondContact O-N 2.68Å
285	K	95.3	Very high	94	Very high	104 Å²	104	65 Å²	65	45%	0.452	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-34.7	-176.2	164.3	-179.5	-178.1	149.1	0	112.4	C241 D243 R288	C241-K285 PolarHBondContact O-N 3.07Å; D243-K285 HydrophobicContact CB-CB 3.92Å; D243-K285 HydrophobicContact CB-CD 4.04Å; D243-K285 HydrophobicContact CB-CG 3.87Å; D243-K285 VanDerWaalsContact OD1-CD 3.27Å; D243-K285 WeakPolarHBondContact OD1-CD 3.3Å; D243-K285 WeakPolarHBondContact OD1-CE 3.47Å; D243-K285 IonicContact OD1-NZ 3.5Å; D243-K285 PolarHBondContact OD1-NZ 3.14Å; K285-R288 WeakPolarHBondContact O-CD 3.1Å; K285-R288 WeakPolarHBondContact O-CG 3.44Å; K285-R288 PolarHBondContact O-NE 2.76Å
286	E	95.3	Very high	94.2	Very high	141 Å²	141	60 Å²	60	66%	0.659	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-57.2	-178	-48.5	63.9	-131.7	0	0	109.4	T284	T284-E286 WeakPolarHBondContact CB-OE2 3.47Å; T284-E286 PolarHBondContact O-N 2.95Å; T284-E286 PolarHBondContact OG1-OE2 3.37Å
287	Q	94	Very high	94.1	Very high	69 Å²	69	56.1 Å²	56.1	32%	0.322	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-94.3	2.9	-169.3	81.8	-167.2	-69.3	0	0	115	A282 T284 N289 R290	A282-Q287 WeakPolarHBondContact O-CG 3.42Å; T284-Q287 WeakPolarHBondContact OG1-CG 3.42Å; T284-Q287 PolarHBondContact OG1-NE2 2.93Å; Q287-N289 PolarHBondContact O-N 2.91Å; Q287-R290 HydrophobicContact CB-CB 4.47Å; Q287-R290 WeakPolarHBondContact O-CB 3.18Å; Q287-R290 PolarHBondContact O-N 3.04Å
288	R	95.6	Very high	94.3	Very high	38 Å²	38	55.9 Å²	55.9	14%	0.143	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-53.9	-15.5	176.2	57.7	-172	176.2	-179.1	-5.7	115.2	C241 D243 C255 V283 T284 K285 R295	C241-R288 HydrophobicContact CB-CB 4.28Å; C241-R288 PolarHBondContact SG-NH1 3.4Å; C241-R288 VanDerWaalsContact SG-NH1 3.39Å; D243-R288 IonicContact OD2-CZ 2.83Å; D243-R288 IonicContact OD2-NH1 3.8Å; D243-R288 PolarHBondContact OD2-NH1 3.37Å; D243-R288 IonicContact OD2-NH2 2.86Å; D243-R288 PolarHBondContact OD2-NH2 3.37Å; C255-R288 PolarHBondContact SG-NH1 2.85Å; V283-R288 HydrophobicContact CG1-CB 3.89Å; T284-R288 WeakPolarHBondContact O-CA 3.27Å; T284-R288 WeakPolarHBondContact O-CB 3.44Å; T284-R288 WeakPolarHBondContact O-CG 3.24Å; T284-R288 PolarHBondContact O-N 2.68Å; K285-R288 WeakPolarHBondContact O-CD 3.1Å; K285-R288 WeakPolarHBondContact O-CG 3.44Å; K285-R288 PolarHBondContact O-NE 2.76Å; R288-R295 WeakPolarHBondContact O-CD 3.41Å; R288-R295 PolarHBondContact O-NH1 3.48Å
289	N	96.5	Very high	94.4	Very high	121 Å²	121	52.7 Å²	52.7	65%	0.647	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-90.4	-14.9	175.1	-65.5	-12.8	0	0	0	113.2	Q287 C291 R295	Q287-N289 PolarHBondContact O-N 2.91Å; N289-C291 PolarHBondContact O-N 3.26Å; N289-R295 PolarHBondContact OD1-NH1 2.93Å
290	R	95.7	Very high	94.4	Very high	172 Å²	172	53.1 Å²	53.1	65%	0.649	26%	0.256	S	S	*	.	S	Bend	trans	-65.9	-32.7	-175.3	-174.4	176.4	-179.5	166.8	3	114	V275 Q287	V275-R290 WeakPolarHBondContact CG2-O 3.44Å; Q287-R290 HydrophobicContact CB-CB 4.47Å; Q287-R290 WeakPolarHBondContact O-CB 3.18Å; Q287-R290 PolarHBondContact O-N 3.04Å
291	C	97.2	Very high	93.9	Very high	6 Å²	6	53.6 Å²	53.6	4%	0.041	25%	0.254	C	S	.	.			trans	-142	106.1	178.1	-172.1	0	0	0	0	111.2	V275 C281 N289 C294 R295	V275-C291 HydrophobicContact CG2-CB 4.39Å; C281-C291 HydrophobicContact CB-CB 3.65Å; N289-C291 PolarHBondContact O-N 3.26Å; C291-C294 HydrophobicContact CB-CB 4.17Å; C291-C294 PolarHBondContact SG-SG 3.33Å; C291-R295 PolarHBondContact O-N 3.43Å
292	Q	97.1	Very high	93.3	Very high	90 Å²	90	57.8 Å²	57.8	42%	0.421	27%	0.27	S	S	.	.	H	α-helix	trans	-67.6	-37.6	-179.4	-66	178.4	-22.1	0	0	111.8	F261 Y272 R295 F296	F261-Q292 HydrophobicContact CE2-CB 4.14Å; F261-Q292 HydrophobicContact CE2-CG 4.22Å; F261-Q292 HydrophobicContact CZ-CB 4.38Å; F261-Q292 WeakPolarHBondContact CZ-O 3.28Å; Y272-Q292 HydrophobicContact CD1-CB 3.67Å; Y272-Q292 HydrophobicContact CD1-CG 4.47Å; Y272-Q292 HydrophobicContact CD2-CB 3.72Å; Y272-Q292 HydrophobicContact CE1-CB 3.93Å; Y272-Q292 HydrophobicContact CE1-CG 4.39Å; Y272-Q292 HydrophobicContact CE2-CB 3.98Å; Y272-Q292 HydrophobicContact CG-CB 3.56Å; Q292-R295 PolarHBondContact O-N 3Å; Q292-F296 PolarHBondContact O-N 3.49Å
293	Y	96.5	Very high	92.3	Very high	3 Å²	3	56 Å²	56	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-56.9	-59.1	174.2	176.7	-98.7	0	0	0	111.9	H199 Y200 Q203 Y272 R273 C274 R295 F296 Q297	H199-Y293 AromaticContact CD2-CE2 3.85Å; H199-Y293 AromaticContact NE2-CD2 3.98Å; H199-Y293 AromaticContact NE2-CE2 3.75Å; Y200-Y293 AromaticContact CD1-CD2 3.76Å; Y200-Y293 HydrophobicContact CD1-CD2 3.76Å; Y200-Y293 AromaticContact CD1-CE2 3.59Å; Y200-Y293 HydrophobicContact CD1-CE2 3.59Å; Y200-Y293 AromaticContact CE1-CD2 3.54Å; Y200-Y293 HydrophobicContact CE1-CD2 3.54Å; Y200-Y293 AromaticContact CE1-CE2 3.87Å; Y200-Y293 HydrophobicContact CE1-CE2 3.87Å; Q203-Y293 VanDerWaalsContact CD-OH 3.31Å; Q203-Y293 PolarHBondContact OE1-OH 2.86Å; Y272-Y293 VanDerWaalsContact O-CD2 3.23Å; Y272-Y293 WeakPolarHBondContact O-CD2 3.47Å; R273-Y293 VanDerWaalsContact C-CB 3.44Å; R273-Y293 WeakPolarHBondContact O-CB 3.47Å; C274-Y293 HydrophobicContact CB-CD1 3.68Å; C274-Y293 HydrophobicContact CB-CE1 4.29Å; C274-Y293 HydrophobicContact CB-CG 4.27Å; Y293-R295 PolarHBondContact O-N 3.32Å; Y293-F296 PolarHBondContact O-N 2.95Å; Y293-Q297 WeakPolarHBondContact O-CB 3.41Å; Y293-Q297 PolarHBondContact O-N 3.39Å
294	C	96.1	Very high	91.6	Very high	6 Å²	6	55.7 Å²	55.7	4%	0.041	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-31.5	-178.5	-62.8	0	0	0	0	112.8	G279 C281 V283 C291 K298	G279-C294 PolarHBondContact O-SG 2.92Å; C281-C294 HydrophobicContact CB-CB 3.9Å; C281-C294 PolarHBondContact N-SG 3.16Å; C281-C294 VanDerWaalsContact N-SG 3.45Å; V283-C294 HydrophobicContact CG2-CB 4.43Å; C291-C294 HydrophobicContact CB-CB 4.17Å; C291-C294 PolarHBondContact SG-SG 3.33Å; C294-K298 VanDerWaalsContact O-CB 3.27Å; C294-K298 WeakPolarHBondContact O-CB 3.21Å; C294-K298 PolarHBondContact O-N 2.73Å
295	R	97.5	Very high	90.5	Very high	11 Å²	11	54.2 Å²	54.2	4%	0.042	24%	0.244	C	C	.	.	H	α-helix	trans	-65.9	-47.5	172.7	-169.7	-173.2	-167.7	154.8	-8.9	112.1	I240 G257 C258 F261 V283 R288 N289 C291 Q292 Y293 K298 C299	I240-R295 HydrophobicContact CG2-CG 4.38Å; G257-R295 PolarHBondContact O-NH2 3.33Å; C258-R295 PolarHBondContact SG-NH2 3.28Å; F261-R295 VanDerWaalsContact CD1-CD 3.47Å; F261-R295 HydrophobicContact CD1-CG 3.83Å; F261-R295 HydrophobicContact CE1-CB 3.92Å; F261-R295 HydrophobicContact CE1-CG 3.63Å; F261-R295 HydrophobicContact CG-CG 4.47Å; F261-R295 HydrophobicContact CZ-CB 4.02Å; F261-R295 HydrophobicContact CZ-CG 4.12Å; V283-R295 HydrophobicContact CG1-CB 4.47Å; V283-R295 HydrophobicContact CG1-CG 4.17Å; R288-R295 WeakPolarHBondContact O-CD 3.41Å; R288-R295 PolarHBondContact O-NH1 3.48Å; N289-R295 PolarHBondContact OD1-NH1 2.93Å; C291-R295 PolarHBondContact O-N 3.43Å; Q292-R295 PolarHBondContact O-N 3Å; Y293-R295 PolarHBondContact O-N 3.32Å; R295-K298 PolarHBondContact O-N 3.22Å; R295-C299 PolarHBondContact O-N 2.91Å; R295-C299 PolarHBondContact O-SG 2.91Å
296	F	95.9	Very high	89.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69	-39.9	178.1	-166.2	-113.8	0	0	0	111.8	W196 L197 Y200 F261 F262 T265 V266 Y272 Q292 Y293 K298 C299 L300 L306	W196-F296 HydrophobicContact CH2-CE1 4.19Å; W196-F296 AromaticContact CH2-CZ 3.93Å; W196-F296 HydrophobicContact CH2-CZ 3.93Å; W196-F296 HydrophobicContact CZ3-CE1 4.13Å; W196-F296 HydrophobicContact CZ3-CZ 4.29Å; L197-F296 HydrophobicContact CD2-CE1 3.9Å; L197-F296 HydrophobicContact CD2-CZ 4.3Å; Y200-F296 AromaticContact CD1-CD1 3.86Å; Y200-F296 HydrophobicContact CD1-CD1 3.86Å; Y200-F296 AromaticContact CD2-CD1 3.92Å; Y200-F296 HydrophobicContact CD2-CD1 3.92Å; Y200-F296 AromaticContact CD2-CE1 3.86Å; Y200-F296 HydrophobicContact CD2-CE1 3.86Å; Y200-F296 HydrophobicContact CE1-CB 4.28Å; Y200-F296 AromaticContact CE1-CD1 3.62Å; Y200-F296 HydrophobicContact CE1-CD1 3.62Å; Y200-F296 HydrophobicContact CE1-CE1 4.48Å; Y200-F296 HydrophobicContact CE1-CG 4.41Å; Y200-F296 AromaticContact CE2-CD1 3.69Å; Y200-F296 HydrophobicContact CE2-CD1 3.69Å; Y200-F296 AromaticContact CE2-CE1 3.74Å; Y200-F296 HydrophobicContact CE2-CE1 3.74Å; Y200-F296 AromaticContact CG-CD1 3.99Å; Y200-F296 HydrophobicContact CG-CD1 3.99Å; Y200-F296 HydrophobicContact CG-CE1 4.28Å; Y200-F296 AromaticContact CZ-CD1 3.51Å; F261-F296 HydrophobicContact CE1-CB 3.84Å; F261-F296 HydrophobicContact CE1-CD2 4.09Å; F261-F296 HydrophobicContact CE1-CG 4.47Å; F261-F296 HydrophobicContact CZ-CB 3.95Å; F262-F296 AromaticContact CD2-CD2 3.95Å; F262-F296 HydrophobicContact CD2-CD2 3.95Å; F262-F296 AromaticContact CD2-CE2 3.49Å; F262-F296 HydrophobicContact CD2-CE2 3.49Å; F262-F296 VanDerWaalsContact CD2-CE2 3.49Å; F262-F296 HydrophobicContact CE2-CD2 4.29Å; F262-F296 AromaticContact CE2-CE2 3.53Å; F262-F296 HydrophobicContact CE2-CE2 3.53Å; F262-F296 HydrophobicContact CE2-CZ 4.14Å; F262-F296 HydrophobicContact CG-CE2 4.46Å; T265-F296 HydrophobicContact CG2-CD1 4.08Å; T265-F296 HydrophobicContact CG2-CD2 3.49Å; T265-F296 VanDerWaalsContact CG2-CD2 3.49Å; T265-F296 HydrophobicContact CG2-CE1 4.03Å; T265-F296 HydrophobicContact CG2-CE2 3.45Å; T265-F296 VanDerWaalsContact CG2-CE2 3.45Å; T265-F296 HydrophobicContact CG2-CG 3.82Å; T265-F296 HydrophobicContact CG2-CZ 3.73Å; V266-F296 HydrophobicContact CG2-CE2 4.15Å; V266-F296 HydrophobicContact CG2-CZ 4.16Å; Y272-F296 HydrophobicContact CD2-CB 4.38Å; Q292-F296 PolarHBondContact O-N 3.49Å; Y293-F296 PolarHBondContact O-N 2.95Å; F296-K298 PolarHBondContact O-N 2.82Å; F296-C299 HydrophobicContact CD2-CB 4.48Å; F296-C299 WeakPolarHBondContact O-CA 3.12Å; F296-C299 VanDerWaalsContact O-CB 3.29Å; F296-C299 WeakPolarHBondContact O-CB 3.42Å; F296-C299 PolarHBondContact O-N 3.05Å; F296-L300 HydrophobicContact CD1-CD1 3.91Å; F296-L300 HydrophobicContact CD1-CG 4.23Å; F296-L300 HydrophobicContact CE1-CD1 3.71Å; F296-L300 HydrophobicContact CE1-CD2 4.2Å; F296-L300 HydrophobicContact CE1-CG 4.03Å; F296-L300 HydrophobicContact CZ-CD1 4.45Å; F296-L300 HydrophobicContact CZ-CD2 4.11Å; F296-L300 HydrophobicContact CZ-CG 4.34Å; F296-L300 PolarHBondContact O-N 2.93Å; F296-L306 HydrophobicContact CZ-CD2 4.16Å
297	Q	90.5	Very high	88.7	Confident	6 Å²	6	48.4 Å²	48.4	3%	0.028	22%	0.219	C	C	.	.	H	α-helix	trans	-56.6	-39.4	171.4	-157.3	70.8	-8	0	0	111.5	Y200 Y293 R301	Y200-Q297 PolarHBondContact O-NE2 3.35Å; Y200-Q297 PolarHBondContact O-OE1 2.91Å; Y293-Q297 WeakPolarHBondContact O-CB 3.41Å; Y293-Q297 PolarHBondContact O-N 3.39Å; Q297-R301 WeakPolarHBondContact O-CB 3.22Å; Q297-R301 PolarHBondContact O-N 3.25Å
298	K	91.9	Very high	87.6	Confident	52 Å²	52	45.5 Å²	45.5	23%	0.226	21%	0.207	C	C	.	.	H	α-helix	trans	-71.6	-34.4	173.7	-167.2	175.9	-179.6	-173.7	0	112.6	I240 V283 C294 R295 F296 K302	I240-K298 HydrophobicContact CD1-CG 4.33Å; I240-K298 WeakPolarHBondContact CD1-O 3.32Å; I240-K298 HydrophobicContact CG2-CD 4.46Å; I240-K298 VanDerWaalsContact O-CD 3.31Å; I240-K298 WeakPolarHBondContact O-CD 3.43Å; I240-K298 WeakPolarHBondContact O-CE 3.45Å; I240-K298 PolarHBondContact O-NZ 3.32Å; V283-K298 HydrophobicContact CB-CD 3.8Å; V283-K298 HydrophobicContact CG1-CD 4.25Å; V283-K298 HydrophobicContact CG2-CD 4.1Å; V283-K298 PolarHBondContact O-NZ 3.4Å; C294-K298 VanDerWaalsContact O-CB 3.27Å; C294-K298 WeakPolarHBondContact O-CB 3.21Å; C294-K298 PolarHBondContact O-N 2.73Å; R295-K298 PolarHBondContact O-N 3.22Å; F296-K298 PolarHBondContact O-N 2.82Å; K298-K302 HydrophobicContact CG-CG 4.48Å; K298-K302 VanDerWaalsContact O-CB 3.31Å; K298-K302 WeakPolarHBondContact O-CB 3.41Å; K298-K302 WeakPolarHBondContact O-CG 3.21Å; K298-K302 PolarHBondContact O-N 3.35Å
299	C	90.1	Very high	86.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.2	-51.9	171.5	-70.3	0	0	0	0	111.7	F262 R295 F296 K302 G303 M304	F262-C299 HydrophobicContact CD2-CB 3.72Å; F262-C299 HydrophobicContact CE2-CB 4.16Å; R295-C299 PolarHBondContact O-N 2.91Å; R295-C299 PolarHBondContact O-SG 2.91Å; F296-C299 HydrophobicContact CD2-CB 4.48Å; F296-C299 WeakPolarHBondContact O-CA 3.12Å; F296-C299 VanDerWaalsContact O-CB 3.29Å; F296-C299 WeakPolarHBondContact O-CB 3.42Å; F296-C299 PolarHBondContact O-N 3.05Å; C299-K302 PolarHBondContact O-N 2.87Å; C299-G303 PolarHBondContact O-N 3.33Å; C299-M304 HydrophobicContact CB-CB 4.23Å; C299-M304 HydrophobicContact CB-CG 4.08Å; C299-M304 HydrophobicContact CB-SD 3.56Å; C299-M304 VanDerWaalsContact CB-SD 3.56Å; C299-M304 WeakPolarHBondContact O-CB 3.43Å; C299-M304 PolarHBondContact O-N 3.49Å; C299-M304 PolarHBondContact SG-SD 2.85Å
300	L	86.4	Confident	85.9	Confident	20 Å²	20	42.5 Å²	42.5	11%	0.105	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-50.7	177.4	-63.1	176.3	0	0	0	111.2	Y200 F262 F296 K302 G303 L306	Y200-L300 HydrophobicContact CG-CD1 4.27Å; F262-L300 HydrophobicContact CE2-CD2 4.26Å; F296-L300 HydrophobicContact CD1-CD1 3.91Å; F296-L300 HydrophobicContact CD1-CG 4.23Å; F296-L300 HydrophobicContact CE1-CD1 3.71Å; F296-L300 HydrophobicContact CE1-CD2 4.2Å; F296-L300 HydrophobicContact CE1-CG 4.03Å; F296-L300 HydrophobicContact CZ-CD1 4.45Å; F296-L300 HydrophobicContact CZ-CD2 4.11Å; F296-L300 HydrophobicContact CZ-CG 4.34Å; F296-L300 PolarHBondContact O-N 2.93Å; L300-K302 PolarHBondContact O-N 3.48Å; L300-K302 VanDerWaalsContact O-N 3.13Å; L300-G303 PolarHBondContact O-N 3.45Å; L300-L306 HydrophobicContact CD2-CD1 4.48Å; L300-L306 HydrophobicContact CD2-CD2 4.03Å; L300-L306 HydrophobicContact CD2-CG 4.32Å
301	R	81.4	Confident	84.7	Confident	147 Å²	147	39.6 Å²	39.6	56%	0.555	18%	0.182	S	C	*	.	H	α-helix	trans	-62.8	-20.1	-179.7	-165.4	-170.1	-61.5	127.6	-5.5	113.9	Q297	Q297-R301 WeakPolarHBondContact O-CB 3.22Å; Q297-R301 PolarHBondContact O-N 3.25Å
302	K	81.9	Confident	83.2	Confident	111 Å²	111	44.9 Å²	44.9	48%	0.483	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	5.1	173.5	-71.7	-65.3	-165.3	179.5	0	113.6	I239 I240 I252 K298 C299 L300	I239-K302 HydrophobicContact CG2-CB 4.18Å; I239-K302 HydrophobicContact CG2-CD 3.7Å; I239-K302 HydrophobicContact CG2-CG 3.89Å; I240-K302 HydrophobicContact CD1-CB 3.72Å; I240-K302 HydrophobicContact CD1-CG 4.06Å; I252-K302 HydrophobicContact CD1-CB 4.13Å; I252-K302 WeakPolarHBondContact CG2-O 3.22Å; K298-K302 HydrophobicContact CG-CG 4.48Å; K298-K302 VanDerWaalsContact O-CB 3.31Å; K298-K302 WeakPolarHBondContact O-CB 3.41Å; K298-K302 WeakPolarHBondContact O-CG 3.21Å; K298-K302 PolarHBondContact O-N 3.35Å; C299-K302 PolarHBondContact O-N 2.87Å; L300-K302 PolarHBondContact O-N 3.48Å; L300-K302 VanDerWaalsContact O-N 3.13Å
303	G	72.4	Confident	81.7	Confident	18 Å²	18	49.6 Å²	49.6	19%	0.186	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	29.1	170.8	0	0	0	0	0	115.8	C299 L300 I305	C299-G303 PolarHBondContact O-N 3.33Å; L300-G303 PolarHBondContact O-N 3.45Å; G303-I305 PolarHBondContact O-N 3.39Å
304	M	80.4	Confident	79.8	Confident	7 Å²	7	56.6 Å²	56.6	3%	0.034	26%	0.258	C	S	.	.			trans	-70.3	115.8	169.4	-67.2	-169.1	107	0	0	111	I240 Y250 I252 T254 F262 C299	I240-M304 HydrophobicContact CG1-SD 4.34Å; Y250-M304 HydrophobicContact CD2-CE 4.09Å; Y250-M304 CarbonylContact O-C 3.51Å; Y250-M304 VanDerWaalsContact O-CA 3.31Å; Y250-M304 WeakPolarHBondContact O-CA 3.45Å; I252-M304 HydrophobicContact CD1-CE 4.36Å; I252-M304 HydrophobicContact CD1-CG 3.46Å; I252-M304 VanDerWaalsContact CD1-CG 3.46Å; I252-M304 HydrophobicContact CD1-SD 4.07Å; I252-M304 HydrophobicContact CG1-CE 4.14Å; I252-M304 HydrophobicContact CG1-CG 3.5Å; I252-M304 HydrophobicContact CG1-SD 4.35Å; T254-M304 HydrophobicContact CG2-CE 3.75Å; T254-M304 HydrophobicContact CG2-SD 4.42Å; F262-M304 HydrophobicContact CB-CE 4.19Å; F262-M304 HydrophobicContact CB-SD 3.99Å; F262-M304 HydrophobicContact CD1-CB 4.29Å; F262-M304 HydrophobicContact CD2-CB 3.75Å; F262-M304 HydrophobicContact CD2-CG 4.38Å; F262-M304 HydrophobicContact CD2-SD 3.87Å; F262-M304 HydrophobicContact CE1-CB 3.99Å; F262-M304 HydrophobicContact CE2-CB 3.41Å; F262-M304 VanDerWaalsContact CE2-CB 3.41Å; F262-M304 HydrophobicContact CE2-CG 4.48Å; F262-M304 HydrophobicContact CG-CB 4.18Å; F262-M304 HydrophobicContact CG-CE 4.34Å; F262-M304 HydrophobicContact CG-SD 3.9Å; F262-M304 HydrophobicContact CZ-CB 3.54Å; F262-M304 VanDerWaalsContact CZ-O 3.32Å; F262-M304 WeakPolarHBondContact CZ-O 3.35Å; C299-M304 HydrophobicContact CB-CB 4.23Å; C299-M304 HydrophobicContact CB-CG 4.08Å; C299-M304 HydrophobicContact CB-SD 3.56Å; C299-M304 VanDerWaalsContact CB-SD 3.56Å; C299-M304 WeakPolarHBondContact O-CB 3.43Å; C299-M304 PolarHBondContact O-N 3.49Å; C299-M304 PolarHBondContact SG-SD 2.85Å
305	I	73	Confident	78.1	Confident	17 Å²	17	62 Å²	62	9%	0.087	29%	0.293	C	S	.	.			trans	-73.5	120.5	-176.8	-55.3	164.7	0	0	0	109.6	Y250 F262 G303 E307 A308 I323	Y250-I305 PolarHBondContact O-N 3.14Å; F262-I305 WeakPolarHBondContact CE1-O 3.39Å; G303-I305 PolarHBondContact O-N 3.39Å; I305-E307 HydrophobicContact CG2-CB 4.23Å; I305-E307 WeakPolarHBondContact CG2-OE2 3.44Å; I305-A308 HydrophobicContact CB-CB 4.03Å; I305-A308 HydrophobicContact CG2-CB 3.98Å; I305-I323 HydrophobicContact CD1-CB 4.37Å; I305-I323 HydrophobicContact CD1-CG2 3.66Å
306	L	79.8	Confident	76.1	Confident	18 Å²	18	65.4 Å²	65.4	9%	0.094	33%	0.332	C	S	.	.	S	Bend	trans	-69.1	-42.3	-177.5	-64.8	154.6	0	0	0	110.9	L197 W201 F262 V266 F296 L300 A308 V309	L197-L306 HydrophobicContact CD1-CD1 3.46Å; L197-L306 VanDerWaalsContact CD1-CD1 3.46Å; L197-L306 HydrophobicContact CD1-CD2 4.1Å; L197-L306 HydrophobicContact CD1-CG 4.41Å; L197-L306 HydrophobicContact CD2-CD2 4.4Å; W201-L306 HydrophobicContact CZ2-CD1 4.38Å; F262-L306 HydrophobicContact CE2-CD2 4.38Å; F262-L306 HydrophobicContact CZ-CD2 3.92Å; F262-L306 HydrophobicContact CZ-CG 4.29Å; V266-L306 HydrophobicContact CG1-CD2 4.49Å; V266-L306 HydrophobicContact CG2-CD2 3.64Å; F296-L306 HydrophobicContact CZ-CD2 4.16Å; L300-L306 HydrophobicContact CD2-CD1 4.48Å; L300-L306 HydrophobicContact CD2-CD2 4.03Å; L300-L306 HydrophobicContact CD2-CG 4.32Å; L306-A308 PolarHBondContact O-N 2.98Å; L306-V309 VanDerWaalsContact O-CB 3.29Å; L306-V309 WeakPolarHBondContact O-CB 2.86Å; L306-V309 PolarHBondContact O-N 3.2Å
307	E	72.1	Confident	73.9	Confident	105 Å²	105	67.6 Å²	67.6	49%	0.491	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-17.9	-175.8	-55	67.8	-145.8	0	0	112.3	I305 V309	I305-E307 HydrophobicContact CG2-CB 4.23Å; I305-E307 WeakPolarHBondContact CG2-OE2 3.44Å; E307-V309 PolarHBondContact O-N 2.82Å
308	A	71.5	Confident	72.1	Confident	8 Å²	8	78.9 Å²	78.9	7%	0.066	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-6.6	171.9	0	0	0	0	0	112.6	Y250 I305 L306 Y324	Y250-A308 HydrophobicContact CD1-CB 3.86Å; Y250-A308 WeakPolarHBondContact CD1-O 3.16Å; Y250-A308 WeakPolarHBondContact CE1-O 3.18Å; I305-A308 HydrophobicContact CB-CB 4.03Å; I305-A308 HydrophobicContact CG2-CB 3.98Å; L306-A308 PolarHBondContact O-N 2.98Å; A308-Y324 HydrophobicContact CB-CD2 3.99Å
309	V	80.6	Confident	70.1	Confident	13 Å²	13	78.4 Å²	78.4	8%	0.079	40%	0.397	C	S	.	.	S	Bend	trans	-94.3	114.1	171	-176.2	0	0	0	0	109.3	Y250 F262 K263 V266 Q267 L306 E307	Y250-V309 HydrophobicContact CD1-CG2 3.57Å; Y250-V309 HydrophobicContact CE1-CB 4.28Å; Y250-V309 HydrophobicContact CE1-CG2 3.53Å; Y250-V309 HydrophobicContact CG-CG2 4.16Å; F262-V309 HydrophobicContact CD1-CG2 3.74Å; F262-V309 HydrophobicContact CE1-CG2 3.63Å; K263-V309 HydrophobicContact CG-CG1 4.14Å; V266-V309 HydrophobicContact CB-CB 4.19Å; V266-V309 HydrophobicContact CB-CG1 4.1Å; V266-V309 HydrophobicContact CB-CG2 4.13Å; V266-V309 HydrophobicContact CG1-CB 3.95Å; V266-V309 HydrophobicContact CG1-CG1 4.13Å; V266-V309 HydrophobicContact CG1-CG2 4.3Å; V266-V309 HydrophobicContact CG2-CG2 4.25Å; Q267-V309 HydrophobicContact CG-CG1 3.46Å; Q267-V309 VanDerWaalsContact CG-CG1 3.46Å; L306-V309 VanDerWaalsContact O-CB 3.29Å; L306-V309 WeakPolarHBondContact O-CB 2.86Å; L306-V309 PolarHBondContact O-N 3.2Å; E307-V309 PolarHBondContact O-N 2.82Å
310	R	76.8	Confident	67.9	Low	82 Å²	82	81.9 Å²	81.9	31%	0.309	43%	0.432	S	S	.	.			trans	-61.2	138.5	171.4	-66.4	-173.3	-179.8	119.3	13.2	111.6	Q267 D312 G317 R318 N319	Q267-R310 WeakPolarHBondContact CG-O 3.48Å; Q267-R310 PolarHBondContact NE2-O 3.3Å; R310-D312 WeakPolarHBondContact CB-O 3.35Å; R310-G317 PolarHBondContact NH1-O 2.86Å; R310-G317 VanDerWaalsContact NH1-O 3.17Å; R310-G317 PolarHBondContact NH2-O 2.93Å; R310-R318 PolarHBondContact NH2-O 3.3Å; R310-N319 PolarHBondContact NH2-OD1 2.75Å
311	E	70.5	Confident	66.2	Low	111 Å²	111	82.4 Å²	82.4	52%	0.519	44%	0.438	S	S	.	.	S	Bend	trans	-71	-42.4	165.7	-163.3	144.8	-146.2	0	0	109.7	N193 K269 R313	N193-E311 PolarHBondContact ND2-OE2 3.39Å; K269-E311 VanDerWaalsContact CE-OE1 3.27Å; K269-E311 WeakPolarHBondContact CE-OE1 3.36Å; K269-E311 IonicContact NZ-OE1 2.71Å; K269-E311 PolarHBondContact NZ-OE1 3.07Å; E311-R313 PolarHBondContact O-N 3.17Å
312	D	65.7	Low	64.3	Low	118 Å²	118	76.8 Å²	76.8	63%	0.631	42%	0.42	S	S	*	.	S	Bend	trans	-63	132	174	-58.3	-57.1	0	0	0	113.1	R310 M314	R310-D312 WeakPolarHBondContact CB-O 3.35Å; D312-M314 PolarHBondContact O-N 2.79Å
313	R	64.8	Low	62.6	Low	189 Å²	189	73.3 Å²	73.3	71%	0.713	41%	0.406	S	S	*	.			trans	-80.7	3.6	178.9	-63.9	-179.5	178.4	174.3	-0.9	113.7	N268 E311	N268-R313 PolarHBondContact OD1-NH2 2.78Å; E311-R313 PolarHBondContact O-N 3.17Å
314	M	56.8	Low	61.4	Low	149 Å²	149	74.5 Å²	74.5	73%	0.734	41%	0.405	S	S	*	.			trans	-61.9	127.9	-177.1	-78.6	-61.6	-175.5	0	0	113.4	D312	D312-M314 PolarHBondContact O-N 2.79Å
315	P	61.2	Low	59.8	Low	119 Å²	119	77.2 Å²	77.2	77%	0.773	42%	0.42	S	S	*	.	S	Bend	trans	-63.9	165	163	-19.2	33.1	0	0	0	112.6	G317	P315-G317 PolarHBondContact O-N 2.83Å
316	G	53.9	Low	58.5	Low	84 Å²	84	76.9 Å²	76.9	87%	0.866	42%	0.418	S	S	*	.	S	Bend	trans	89.6	-31.2	161.3	0	0	0	0	0	118.6
317	G	49.5	Very low	56.8	Low	45 Å²	45	78.6 Å²	78.6	46%	0.464	42%	0.424	S	S	.	.			trans	-63.4	152.6	-176.5	0	0	0	0	0	114.9	R310 P315	R310-G317 PolarHBondContact NH1-O 2.86Å; R310-G317 VanDerWaalsContact NH1-O 3.17Å; R310-G317 PolarHBondContact NH2-O 2.93Å; P315-G317 PolarHBondContact O-N 2.83Å
318	R	53.1	Low	55.3	Low	243 Å²	243	78.6 Å²	78.6	92%	0.917	42%	0.422	S	S	*	.			trans	-79.8	145.2	166.5	-68.7	179.8	179.8	146.9	0.9	111.1	R310 G320	R310-R318 PolarHBondContact NH2-O 3.3Å; R318-G320 PolarHBondContact O-N 3.35Å; R318-G320 VanDerWaalsContact O-N 3.12Å
319	N	50	Low	53.8	Low	43 Å²	43	83.2 Å²	83.2	23%	0.23	44%	0.444	C	S	.	.			trans	-76.4	102	-176.5	-72.8	12.7	0	0	0	109.7	R310 S321 Y324 N325	R310-N319 PolarHBondContact NH2-OD1 2.75Å; N319-S321 PolarHBondContact O-N 3.07Å; N319-Y324 HydrophobicContact CB-CD1 3.61Å; N319-Y324 HydrophobicContact CB-CE1 4.07Å; N319-Y324 HydrophobicContact CB-CG 4.25Å; N319-Y324 VanDerWaalsContact ND2-CD1 3.29Å; N319-Y324 WeakPolarHBondContact ND2-CD1 3.43Å; N319-Y324 WeakPolarHBondContact ND2-CE1 3.43Å; N319-N325 PolarHBondContact O-ND2 3.2Å
320	G	44	Very low	51.8	Low	72 Å²	72	83.5 Å²	83.5	74%	0.742	45%	0.445	S	S	*	.			trans	-70	-10	-179.8	0	0	0	0	0	115.2	R318 T322	R318-G320 PolarHBondContact O-N 3.35Å; R318-G320 VanDerWaalsContact O-N 3.12Å; G320-T322 PolarHBondContact O-N 2.96Å
321	S	50.1	Low	50.1	Low	31 Å²	31	80.3 Å²	80.3	22%	0.217	44%	0.436	C	S	.	.			trans	-66.7	107	171.9	177.4	0	0	0	0	110.4	N319 I323 Y324 N325	N319-S321 PolarHBondContact O-N 3.07Å; S321-I323 PolarHBondContact O-N 3.13Å; S321-I323 VanDerWaalsContact O-N 3.16Å; S321-Y324 WeakPolarHBondContact O-CB 3.43Å; S321-Y324 PolarHBondContact O-N 2.9Å; S321-N325 PolarHBondContact O-N 3.41Å
322	T	42.4	Very low	48.7	Very low	30 Å²	30	81.7 Å²	81.7	18%	0.184	44%	0.44	C	S	.	.	H	α-helix	trans	-42.2	-43.9	168	-62.3	0	0	0	0	112.3	G320 Y324 N325 L326 E559	G320-T322 PolarHBondContact O-N 2.96Å; T322-Y324 VanDerWaalsContact C-N 3.31Å; T322-Y324 PolarHBondContact O-N 2.97Å; T322-N325 PolarHBondContact O-N 3.12Å; T322-L326 WeakPolarHBondContact O-CB 3.42Å; T322-L326 PolarHBondContact O-N 3.49Å; T322-E559 VanDerWaalsContact CB-OE1 3.29Å; T322-E559 WeakPolarHBondContact CB-OE1 3.3Å; T322-E559 HydrophobicContact CG2-CB 4.18Å; T322-E559 VanDerWaalsContact CG2-CD 3.47Å; T322-E559 HydrophobicContact CG2-CG 3.67Å; T322-E559 WeakPolarHBondContact CG2-OE1 3.21Å; T322-E559 PolarHBondContact OG1-OE1 2.87Å
323	I	46.1	Very low	47.5	Very low	38 Å²	38	84.8 Å²	84.8	20%	0.195	44%	0.443	C	S	.	.	H	α-helix	trans	-59.5	-41.2	-178.3	-38.3	178.7	0	0	0	111.2	I305 S321 Y327 L582	I305-I323 HydrophobicContact CD1-CB 4.37Å; I305-I323 HydrophobicContact CD1-CG2 3.66Å; S321-I323 PolarHBondContact O-N 3.13Å; S321-I323 VanDerWaalsContact O-N 3.16Å; I323-Y327 PolarHBondContact O-N 2.82Å; I323-Y327 VanDerWaalsContact O-N 3.08Å; I323-L582 HydrophobicContact CG2-CD1 4.46Å
324	Y	47.6	Very low	46.3	Very low	42 Å²	42	83.8 Å²	83.8	17%	0.165	44%	0.44	C	S	.	.	H	α-helix	trans	-67.9	-41.9	177.4	-177.7	-95.2	0	0	0	112.3	A308 N319 S321 T322 K328	A308-Y324 HydrophobicContact CB-CD2 3.99Å; N319-Y324 HydrophobicContact CB-CD1 3.61Å; N319-Y324 HydrophobicContact CB-CE1 4.07Å; N319-Y324 HydrophobicContact CB-CG 4.25Å; N319-Y324 VanDerWaalsContact ND2-CD1 3.29Å; N319-Y324 WeakPolarHBondContact ND2-CD1 3.43Å; N319-Y324 WeakPolarHBondContact ND2-CE1 3.43Å; S321-Y324 WeakPolarHBondContact O-CB 3.43Å; S321-Y324 PolarHBondContact O-N 2.9Å; T322-Y324 VanDerWaalsContact C-N 3.31Å; T322-Y324 PolarHBondContact O-N 2.97Å; Y324-K328 WeakPolarHBondContact O-CB 3.32Å; Y324-K328 PolarHBondContact O-N 3.4Å; Y324-K328 VanDerWaalsContact O-N 3.13Å
325	N	46.5	Very low	45.4	Very low	65 Å²	65	79.9 Å²	79.9	35%	0.348	44%	0.438	S	S	.	.	H	α-helix	trans	-69.4	-37.1	179	-65	-40.1	0	0	0	111.5	N319 S321 T322 K328 M329	N319-N325 PolarHBondContact O-ND2 3.2Å; S321-N325 PolarHBondContact O-N 3.41Å; T322-N325 PolarHBondContact O-N 3.12Å; N325-K328 WeakPolarHBondContact O-CB 3.48Å; N325-K328 PolarHBondContact O-N 3.02Å; N325-M329 WeakPolarHBondContact O-CG 3.39Å; N325-M329 PolarHBondContact O-N 3.03Å
326	L	45.2	Very low	44.3	Very low	10 Å²	10	84.6 Å²	84.6	5%	0.052	44%	0.44	C	S	.	.	H	α-helix	trans	-62.7	-49.6	174.6	-177.3	58.9	0	0	0	112.1	T322 K328 M329 T330 I562 K563 H566	T322-L326 WeakPolarHBondContact O-CB 3.42Å; T322-L326 PolarHBondContact O-N 3.49Å; L326-K328 PolarHBondContact O-N 3.47Å; L326-M329 HydrophobicContact CD1-CE 4.11Å; L326-M329 WeakPolarHBondContact O-CA 3.47Å; L326-M329 WeakPolarHBondContact O-CB 3.45Å; L326-M329 PolarHBondContact O-N 2.99Å; L326-T330 HydrophobicContact CD1-CG2 4.33Å; L326-T330 PolarHBondContact O-N 3.38Å; L326-I562 HydrophobicContact CD2-CB 4.21Å; L326-I562 HydrophobicContact CD2-CG2 3.59Å; L326-K563 HydrophobicContact CD1-CB 4.04Å; L326-K563 HydrophobicContact CD1-CD 4.5Å; L326-K563 HydrophobicContact CD1-CG 3.79Å; L326-K563 HydrophobicContact CD2-CG 4.38Å; L326-H566 HydrophobicContact CD2-CB 4.36Å
327	Y	43.6	Very low	43.4	Very low	54 Å²	54	89.2 Å²	89.2	21%	0.212	44%	0.436	C	S	.	.	H	α-helix	trans	-61.5	-34	178.1	-156.5	-80.7	0	0	0	112.2	L248 G251 I323 M329 T330 C331	L248-Y327 HydrophobicContact CD1-CD1 4.47Å; L248-Y327 HydrophobicContact CD2-CD1 4.04Å; L248-Y327 HydrophobicContact CD2-CE1 3.75Å; G251-Y327 VanDerWaalsContact C-CE1 3.48Å; G251-Y327 WeakPolarHBondContact O-CE1 3.42Å; G251-Y327 WeakPolarHBondContact O-CE2 3.44Å; G251-Y327 PolarHBondContact O-OH 2.84Å; I323-Y327 PolarHBondContact O-N 2.82Å; I323-Y327 VanDerWaalsContact O-N 3.08Å; Y327-M329 VanDerWaalsContact C-N 3.25Å; Y327-M329 PolarHBondContact O-N 2.77Å; Y327-T330 PolarHBondContact O-OG1 2.84Å; Y327-C331 WeakPolarHBondContact CE1-SG 3.35Å; Y327-C331 PolarHBondContact O-N 2.93Å
328	K	42.5	Very low	42.6	Very low	105 Å²	105	96.5 Å²	96.5	46%	0.457	46%	0.455	S	S	.	.	H	α-helix	trans	-66.4	-23.9	174.1	-169.1	177.6	178.9	-175.9	0	113.1	Y324 N325 L326 K332	Y324-K328 WeakPolarHBondContact O-CB 3.32Å; Y324-K328 PolarHBondContact O-N 3.4Å; Y324-K328 VanDerWaalsContact O-N 3.13Å; N325-K328 WeakPolarHBondContact O-CB 3.48Å; N325-K328 PolarHBondContact O-N 3.02Å; L326-K328 PolarHBondContact O-N 3.47Å; K328-K332 WeakPolarHBondContact O-CG 3.39Å
329	M	39.5	Very low	41.7	Very low	105 Å²	105	90.3 Å²	90.3	52%	0.517	44%	0.444	S	S	.	.	H	α-helix	trans	-85.8	-41.5	175	-69.6	-172.2	-71	0	0	112.8	N325 L326 Y327 K332	N325-M329 WeakPolarHBondContact O-CG 3.39Å; N325-M329 PolarHBondContact O-N 3.03Å; L326-M329 HydrophobicContact CD1-CE 4.11Å; L326-M329 WeakPolarHBondContact O-CA 3.47Å; L326-M329 WeakPolarHBondContact O-CB 3.45Å; L326-M329 PolarHBondContact O-N 2.99Å; Y327-M329 VanDerWaalsContact C-N 3.25Å; Y327-M329 PolarHBondContact O-N 2.77Å; M329-K332 WeakPolarHBondContact O-CB 3.39Å; M329-K332 PolarHBondContact O-N 2.64Å
330	T	38.2	Very low	40.9	Very low	18 Å²	18	94.2 Å²	94.2	11%	0.11	47%	0.472	C	S	.	.	H	α-helix	trans	-68.4	-49.3	-174.1	54.7	0	0	0	0	111.9	L326 Y327 K332 R333 H566	L326-T330 HydrophobicContact CD1-CG2 4.33Å; L326-T330 PolarHBondContact O-N 3.38Å; Y327-T330 PolarHBondContact O-OG1 2.84Å; T330-K332 VanDerWaalsContact C-N 3.26Å; T330-K332 PolarHBondContact O-N 3.37Å; T330-R333 WeakPolarHBondContact O-CB 3.49Å; T330-R333 PolarHBondContact O-N 2.79Å; T330-R333 VanDerWaalsContact O-N 3.09Å; T330-H566 PolarHBondContact OG1-NE2 3.19Å
331	C	41.5	Very low	40.7	Very low	15 Å²	15	96.6 Å²	96.6	10%	0.101	47%	0.472	C	S	.	.	H	α-helix	trans	-64.1	-26.7	175.9	-72.6	0	0	0	0	113.8	L248 Y253 Y327 R333 Y334 G335	L248-C331 HydrophobicContact CD1-CB 3.64Å; L248-C331 HydrophobicContact CD2-CB 3.99Å; L248-C331 HydrophobicContact CG-CB 4.38Å; Y253-C331 HydrophobicContact CE2-CB 3.84Å; Y327-C331 WeakPolarHBondContact CE1-SG 3.35Å; Y327-C331 PolarHBondContact O-N 2.93Å; C331-R333 PolarHBondContact O-N 2.8Å; C331-Y334 PolarHBondContact O-N 2.67Å; C331-G335 PolarHBondContact O-N 3.03Å
332	K	39.8	Very low	39.9	Very low	140 Å²	140	102 Å²	102	61%	0.609	50%	0.499	S	S	*	.	H	α-helix	trans	-64	-22.5	173.5	-96	-171.4	172.3	-166	0	113.8	K328 M329 T330	K328-K332 WeakPolarHBondContact O-CG 3.39Å; M329-K332 WeakPolarHBondContact O-CB 3.39Å; M329-K332 PolarHBondContact O-N 2.64Å; T330-K332 VanDerWaalsContact C-N 3.26Å; T330-K332 PolarHBondContact O-N 3.37Å
333	R	40.7	Very low	39.7	Very low	184 Å²	184	108 Å²	108	69%	0.694	53%	0.529	S	S	*	.	H	α-helix	trans	-73.3	-41.9	173.7	-71.2	-176.6	175.4	165	-1.8	112	T330 C331 R336	T330-R333 WeakPolarHBondContact O-CB 3.49Å; T330-R333 PolarHBondContact O-N 2.79Å; T330-R333 VanDerWaalsContact O-N 3.09Å; C331-R333 PolarHBondContact O-N 2.8Å; R333-R336 PolarHBondContact O-N 2.93Å
334	Y	39.5	Very low	39	Very low	168 Å²	168	110 Å²	110	66%	0.659	56%	0.559	S	S	*	*	H	α-helix	trans	-66.3	-42.2	-179	-72.4	-92.6	0	0	0	111.9	C331 R336	C331-Y334 PolarHBondContact O-N 2.67Å; Y334-R336 PolarHBondContact O-N 2.77Å; Y334-R336 VanDerWaalsContact O-N 3.08Å
335	G	38.2	Very low	38.4	Very low	66 Å²	66	117.2 Å²	117.2	68%	0.68	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	3.9	176.8	0	0	0	0	0	116.3	C331	C331-G335 PolarHBondContact O-N 3.03Å
336	R	39.6	Very low	37.4	Very low	219 Å²	219	119.8 Å²	119.8	83%	0.826	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	-5.3	-179.8	-98.7	-170.3	173.7	-167.7	-1.7	115.2	R333 Y334 K338	R333-R336 PolarHBondContact O-N 2.93Å; Y334-R336 PolarHBondContact O-N 2.77Å; Y334-R336 VanDerWaalsContact O-N 3.08Å; R336-K338 VanDerWaalsContact C-N 3.3Å; R336-K338 PolarHBondContact O-N 3.01Å
337	K	34.2	Very low	36.8	Very low	180 Å²	180	126.1 Å²	126.1	78%	0.783	65%	0.647	S	S	*	*			trans	-75.8	84.1	169.8	-73.5	-173.1	176.3	-179.6	0	109.6	V339	K337-V339 PolarHBondContact O-N 3.08Å
338	K	33.5	Very low	35.9	Very low	199 Å²	199	131.4 Å²	131.4	87%	0.865	67%	0.674	S	S	*	*			trans	-53.8	122.5	159	-80.3	-169.3	171.9	-168.9	0	107.3	R336	R336-K338 VanDerWaalsContact C-N 3.3Å; R336-K338 PolarHBondContact O-N 3.01Å
339	V	33.8	Very low	35.4	Very low	112 Å²	112	132.9 Å²	132.9	68%	0.679	69%	0.692	S	S	*	*			trans	-70.1	129	161.2	178.9	0	0	0	0	106.1	K337 T341	K337-V339 PolarHBondContact O-N 3.08Å; V339-T341 VanDerWaalsContact C-N 3.32Å; V339-T341 HydrophobicContact CG1-CG2 4.42Å; V339-T341 PolarHBondContact O-N 3.46Å
340	P	32.7	Very low	34.7	Very low	125 Å²	125	136.4 Å²	136.4	81%	0.812	71%	0.707	S	S	*	*			trans	-71.4	95.8	164.9	29.9	-30.3	0	0	0	107.2
341	T	39	Very low	34.2	Very low	122 Å²	122	139 Å²	139	75%	0.748	74%	0.738	S	S	*	*			trans	-77.6	117.7	160.5	49.2	0	0	0	0	107	V339	V339-T341 VanDerWaalsContact C-N 3.32Å; V339-T341 HydrophobicContact CG1-CG2 4.42Å; V339-T341 PolarHBondContact O-N 3.46Å
342	D	33.1	Very low	33.5	Very low	146 Å²	146	145.5 Å²	145.5	78%	0.781	76%	0.764	S	S	*	*			trans	-65.2	-178.7	155.5	-146.3	-22.8	0	0	0	109.5
343	D	39.1	Very low	33.2	Very low	154 Å²	154	149.4 Å²	149.4	82%	0.824	78%	0.777	S	S	*	*	S	Bend	trans	67.7	101.3	-174.7	-56.7	-42.5	0	0	0	114
344	G	30.8	Very low	32.6	Very low	80 Å²	80	148.5 Å²	148.5	83%	0.825	78%	0.78	S	S	*	*			trans	-88	123.6	179.3	0	0	0	0	0	113.8
345	F	35.1	Very low	32	Very low	195 Å²	195	147.9 Å²	147.9	86%	0.855	79%	0.789	S	S	*	*			trans	-145.4	119.2	152.1	-140.6	-94.6	0	0	0	111.3	I347	F345-I347 HydrophobicContact CD1-CG1 4.31Å
346	S	25.5	Very low	31.6	Very low	118 Å²	118	151.8 Å²	151.8	83%	0.825	79%	0.794	S	S	*	*			trans	-82.8	116.9	179.9	-63.4	0	0	0	0	110.8
347	I	33.6	Very low	31.2	Very low	143 Å²	143	147.5 Å²	147.5	73%	0.733	79%	0.792	S	S	*	*			trans	-125	116.7	162.6	-61.1	-178.3	0	0	0	107.8	F345	F345-I347 HydrophobicContact CD1-CG1 4.31Å
348	E	25.2	Very low	31	Very low	166 Å²	166	150.9 Å²	150.9	78%	0.776	80%	0.8	S	S	*	*			trans	-76.5	145.9	177.8	-57.9	-173.4	133.5	0	0	111
349	T	31.5	Very low	31	Very low	136 Å²	136	152.4 Å²	152.4	83%	0.834	80%	0.8	S	S	*	*			trans	-147.8	107.3	162.4	-56.3	0	0	0	0	108.8
350	Q	25.2	Very low	31	Very low	179 Å²	179	153.6 Å²	153.6	84%	0.836	80%	0.803	S	S	*	*			trans	-77.5	155.8	178.8	-61.5	172.2	-2.9	0	0	110.7
351	G	27.8	Very low	30.8	Very low	72 Å²	72	157.2 Å²	157.2	74%	0.742	81%	0.806	S	S	*	*			trans	146.8	50.9	-173.6	0	0	0	0	0	112.7
352	F	25.3	Very low	30.4	Very low	152 Å²	152	156.3 Å²	156.3	67%	0.667	81%	0.805	S	S	*	*				77.4	100.8	82.7	-166.3	-86.5	0	0	0	113.1
353	Y	33.3	Very low	30.3	Very low	222 Å²	222	155.4 Å²	155.4	87%	0.871	81%	0.805	S	S	*	*			trans	-169	87.4	139.1	-99	-63.5	0	0	0	107
354	E	28.4	Very low	29.8	Very low	164 Å²	164	155.5 Å²	155.5	77%	0.766	81%	0.805	S	S	*	*			trans	-84.5	155.8	173.1	-61.4	172	113.1	0	0	109.9
355	D	27.6	Very low	29.8	Very low	156 Å²	156	160.8 Å²	160.8	83%	0.834	81%	0.808	S	S	*	*				174.6	-170.1	100.3	-156.3	-5.6	0	0	0	110.1
356	D	29.3	Very low	29.3	Very low	148 Å²	148	160.7 Å²	160.7	79%	0.791	81%	0.813	S	S	*	*			trans	68.5	58.9	172.7	-88.7	-34.2	0	0	0	116.8
357	T	31.8	Very low	29.6	Very low	129 Å²	129	161.6 Å²	161.6	79%	0.791	81%	0.813	S	S	*	*			trans	-151.4	100.1	137.4	29.8	0	0	0	0	112.6
358	R	30.5	Very low	29.3	Very low	251 Å²	251	160.4 Å²	160.4	95%	0.947	82%	0.815	S	S	*	*			trans	160.5	115.6	140.7	-88.5	154.3	-172.8	-150.7	3.6	113.1
359	R	32.3	Very low	29.3	Very low	230 Å²	230	159.1 Å²	159.1	87%	0.868	81%	0.813	S	S	*	*			trans	-155.9	147.4	136.4	-159.6	124.7	-170.6	-177.1	2.5	112.7
360	N	33.6	Very low	29.2	Very low	137 Å²	137	158.7 Å²	158.7	73%	0.733	82%	0.816	S	S	*	*			trans	61.4	106.1	165.7	-67.4	2	0	0	0	119.5
361	K	29.2	Very low	29.6	Very low	201 Å²	201	154.8 Å²	154.8	87%	0.874	81%	0.808	S	S	*	*			trans	-53.4	146.4	139.7	-67.7	172.5	169.2	-180	0	109.9
362	S	31.3	Very low	29.4	Very low	104 Å²	104	156.8 Å²	156.8	73%	0.727	81%	0.811	S	S	*	*				-178.4	145.8	110.7	-92.8	0	0	0	0	112.6
363	T	30.8	Very low	29.5	Very low	127 Å²	127	154.8 Å²	154.8	78%	0.779	81%	0.814	S	S	*	*			trans	46.9	117.6	154.3	53.6	0	0	0	0	120.5
364	N	27.2	Very low	29.3	Very low	156 Å²	156	150.8 Å²	150.8	83%	0.834	81%	0.807	S	S	*	*			trans	25.6	113.4	145.6	-57.9	6	0	0	0	119.1
365	E	30.7	Very low	29.2	Very low	191 Å²	191	147.3 Å²	147.3	89%	0.893	82%	0.815	S	S	*	*				-160.9	159.6	103	-108.1	177.1	163.1	0	0	111.4
366	M	25.7	Very low	29.4	Very low	193 Å²	193	143.5 Å²	143.5	95%	0.951	80%	0.797	S	S	*	*			trans	-93.2	115.5	-175.8	-68.4	175.7	170.8	0	0	111.1
367	V	31.6	Very low	29.8	Very low	136 Å²	136	145 Å²	145	82%	0.824	80%	0.8	S	S	*	*			trans	-132.2	129.2	166.5	-176	0	0	0	0	107.7
368	P	27.6	Very low	30.4	Very low	119 Å²	119	149.6 Å²	149.6	77%	0.773	80%	0.803	S	S	*	*			trans	-90.7	166.4	-148.5	34.7	-38.7	0	0	0	116	S370	P368-S370 PolarHBondContact O-N 2.94Å
369	D	24.2	Very low	31.5	Very low	139 Å²	139	141.6 Å²	141.6	74%	0.743	78%	0.778	S	S	*	*			trans	-53.2	126.6	168.7	-81.8	-58.1	0	0	0	112.3	S371	D369-S371 PolarHBondContact O-N 3.27Å
370	S	30	Very low	32.9	Very low	127 Å²	127	133 Å²	133	89%	0.888	75%	0.753	S	S	*	*	S	Bend	trans	-79.3	44.6	169.7	54.5	0	0	0	0	112.2	P368	P368-S370 PolarHBondContact O-N 2.94Å
371	S	32.8	Very low	34.4	Very low	96 Å²	96	130 Å²	130	67%	0.671	74%	0.737	S	S	*	*			trans	-118.2	40.9	178.1	71.7	0	0	0	0	112.3	D369	D369-S371 PolarHBondContact O-N 3.27Å
372	S	24.9	Very low	36	Very low	114 Å²	114	123.9 Å²	123.9	80%	0.797	72%	0.719	S	S	*	*			trans	-110.3	66.3	-177.6	48.5	0	0	0	0	112.2
373	C	26.6	Very low	38.3	Very low	110 Å²	110	121.9 Å²	121.9	74%	0.743	70%	0.703	S	S	*	*			trans	-138.1	107.2	169.1	49.7	0	0	0	0	112.1
374	I	30	Very low	40.9	Very low	138 Å²	138	116.3 Å²	116.3	71%	0.708	67%	0.668	S	S	*	*			trans	59.6	84.9	152.6	-43.6	177.8	0	0	0	116.5	T376	I374-T376 VanDerWaalsContact C-N 3.27Å; I374-T376 PolarHBondContact O-N 2.95Å
375	G	25.6	Very low	43.7	Very low	91 Å²	91	109.2 Å²	109.2	94%	0.938	63%	0.63	S	S	*	*				73.6	-21.5	99.1	0	0	0	0	0	120.8
376	T	32.8	Very low	46.4	Very low	77 Å²	77	104 Å²	104	47%	0.472	61%	0.609	S	S	.	*			trans	-93	135.5	-178.4	-39.2	0	0	0	0	111.2	I374 R378	I374-T376 VanDerWaalsContact C-N 3.27Å; I374-T376 PolarHBondContact O-N 2.95Å; T376-R378 PolarHBondContact O-N 3.04Å
377	E	37.6	Very low	49.4	Very low	180 Å²	180	96.3 Å²	96.3	84%	0.841	57%	0.571	S	S	*	*			trans	-58.7	134.9	174.8	-65.9	-171.7	120.3	0	0	110.8	L379	E377-L379 VanDerWaalsContact C-N 3.28Å; E377-L379 PolarHBondContact O-N 3.09Å
378	R	44.3	Very low	52.3	Low	225 Å²	225	90 Å²	90	85%	0.849	53%	0.533	S	S	*	.			trans	-73.9	84.4	176.3	-76.4	-175	177.9	161.5	2.7	110.2	T376 S380	T376-R378 PolarHBondContact O-N 3.04Å; R378-S380 PolarHBondContact O-N 3.09Å
379	L	52.8	Low	55.4	Low	82 Å²	82	85.7 Å²	85.7	43%	0.429	50%	0.504	S	S	.	.			trans	-42	126.3	161.2	-81.6	167.1	0	0	0	109.3	E377	E377-L379 VanDerWaalsContact C-N 3.28Å; E377-L379 PolarHBondContact O-N 3.09Å
380	S	61.8	Low	58.5	Low	49 Å²	49	86.3 Å²	86.3	34%	0.343	50%	0.503	S	S	.	.			trans	-64.6	148.8	179.5	80.7	0	0	0	0	109.7	R378 S382 T383 L384	R378-S380 PolarHBondContact O-N 3.09Å; S380-S382 PolarHBondContact O-N 2.91Å; S380-S382 VanDerWaalsContact O-N 3.17Å; S380-S382 PolarHBondContact OG-OG 2.95Å; S380-S382 VanDerWaalsContact OG-OG 3.08Å; S380-T383 PolarHBondContact N-OG1 3.07Å; S380-T383 VanDerWaalsContact N-OG1 3.15Å; S380-T383 PolarHBondContact O-N 2.98Å; S380-T383 PolarHBondContact O-OG1 3.04Å; S380-T383 WeakPolarHBondContact OG-CB 3.17Å; S380-T383 VanDerWaalsContact OG-CG2 3.3Å; S380-T383 WeakPolarHBondContact OG-CG2 3.28Å; S380-T383 PolarHBondContact OG-N 2.9Å; S380-T383 PolarHBondContact OG-OG1 3.16Å; S380-L384 PolarHBondContact O-N 2.95Å
381	L	64.5	Low	61.4	Low	75 Å²	75	84.9 Å²	84.9	39%	0.393	48%	0.478	S	S	.	.	H	α-helix	trans	-59.2	-29	179.7	-91.7	163.6	0	0	0	112.6	H560 L564	L381-H560 HydrophobicContact CD2-CB 4.14Å; L381-L564 HydrophobicContact CB-CD2 4.07Å; L381-L564 HydrophobicContact CD2-CD1 4Å; L381-L564 HydrophobicContact CD2-CD2 3.68Å; L381-L564 HydrophobicContact CD2-CG 3.7Å; L381-L564 HydrophobicContact CG-CD2 4.49Å; L381-L564 WeakPolarHBondContact O-CD2 3.2Å
382	S	63.5	Low	64.2	Low	73 Å²	73	80.6 Å²	80.6	51%	0.51	45%	0.447	S	S	.	.	H	α-helix	trans	-71	-58.8	170.3	31.3	0	0	0	0	112	S380 L384 L385 D386	S380-S382 PolarHBondContact O-N 2.91Å; S380-S382 VanDerWaalsContact O-N 3.17Å; S380-S382 PolarHBondContact OG-OG 2.95Å; S380-S382 VanDerWaalsContact OG-OG 3.08Å; S382-L384 VanDerWaalsContact C-N 3.29Å; S382-L384 PolarHBondContact O-N 3.48Å; S382-L385 WeakPolarHBondContact O-CA 3.37Å; S382-L385 VanDerWaalsContact O-CB 3.3Å; S382-L385 WeakPolarHBondContact O-CB 3.5Å; S382-L385 PolarHBondContact O-N 3.24Å; S382-D386 PolarHBondContact O-N 3.46Å; S382-D386 VanDerWaalsContact O-N 3.08Å; S382-D386 VanDerWaalsContact O-OD2 3.11Å
383	T	79.9	Confident	67.2	Low	61 Å²	61	79.4 Å²	79.4	37%	0.374	43%	0.429	S	S	.	.	H	α-helix	trans	-57.9	-39.5	-174.5	52.1	0	0	0	0	112.7	S380 L385 D386 D387	S380-T383 PolarHBondContact N-OG1 3.07Å; S380-T383 VanDerWaalsContact N-OG1 3.15Å; S380-T383 PolarHBondContact O-N 2.98Å; S380-T383 PolarHBondContact O-OG1 3.04Å; S380-T383 WeakPolarHBondContact OG-CB 3.17Å; S380-T383 VanDerWaalsContact OG-CG2 3.3Å; S380-T383 WeakPolarHBondContact OG-CG2 3.28Å; S380-T383 PolarHBondContact OG-N 2.9Å; S380-T383 PolarHBondContact OG-OG1 3.16Å; T383-L385 PolarHBondContact O-N 3.01Å; T383-D386 PolarHBondContact O-N 2.99Å; T383-D387 VanDerWaalsContact O-CB 3.29Å; T383-D387 WeakPolarHBondContact O-CB 3.46Å; T383-D387 PolarHBondContact O-N 3.23Å
384	L	84.7	Confident	70.1	Confident	11 Å²	11	74.2 Å²	74.2	6%	0.058	39%	0.394	C	S	.	.	H	α-helix	trans	-58.8	-33.9	174.3	175.1	62.6	0	0	0	113	S380 S382 L388 P434 F435	S380-L384 PolarHBondContact O-N 2.95Å; S382-L384 VanDerWaalsContact C-N 3.29Å; S382-L384 PolarHBondContact O-N 3.48Å; L384-L388 HydrophobicContact CD1-CD1 4.29Å; L384-L388 HydrophobicContact CG-CD1 4.36Å; L384-L388 WeakPolarHBondContact O-CB 3.38Å; L384-L388 WeakPolarHBondContact O-CD1 3.4Å; L384-L388 WeakPolarHBondContact O-CG 3.31Å; L384-L388 PolarHBondContact O-N 3.03Å; L384-P434 HydrophobicContact CD1-CG 3.7Å; L384-F435 HydrophobicContact CD1-CD1 4.1Å; L384-F435 HydrophobicContact CD1-CE1 4.42Å
385	L	87.2	Confident	72.8	Confident	7 Å²	7	71 Å²	71	4%	0.037	38%	0.376	C	S	.	.	H	α-helix	trans	-76.5	-40.9	179	-178.9	55.6	0	0	0	111.5	S382 T383 L388 V389 H533 V536 C537 L564 Q568	S382-L385 WeakPolarHBondContact O-CA 3.37Å; S382-L385 VanDerWaalsContact O-CB 3.3Å; S382-L385 WeakPolarHBondContact O-CB 3.5Å; S382-L385 PolarHBondContact O-N 3.24Å; T383-L385 PolarHBondContact O-N 3.01Å; L385-L388 PolarHBondContact O-N 3.29Å; L385-V389 WeakPolarHBondContact O-CG2 3.41Å; L385-V389 PolarHBondContact O-N 2.84Å; L385-H533 HydrophobicContact CD1-CB 4.28Å; L385-H533 HydrophobicContact CD2-CB 4.22Å; L385-H533 HydrophobicContact CG-CB 4.44Å; L385-V536 HydrophobicContact CD1-CG2 3.99Å; L385-C537 WeakPolarHBondContact CD1-SG 3.43Å; L385-L564 HydrophobicContact CB-CD1 4.2Å; L385-L564 HydrophobicContact CD2-CD2 4.35Å; L385-Q568 HydrophobicContact CD2-CG 3.98Å
386	D	87.4	Confident	75.6	Confident	82 Å²	82	69.2 Å²	69.2	44%	0.439	35%	0.349	S	S	.	.	H	α-helix	trans	-67.9	-45	179.8	-54.4	-38.3	0	0	0	110	S382 T383 L388 V389 E390	S382-D386 PolarHBondContact O-N 3.46Å; S382-D386 VanDerWaalsContact O-N 3.08Å; S382-D386 VanDerWaalsContact O-OD2 3.11Å; T383-D386 PolarHBondContact O-N 2.99Å; D386-L388 VanDerWaalsContact C-N 3.28Å; D386-L388 PolarHBondContact O-N 3.23Å; D386-V389 PolarHBondContact O-N 3.28Å; D386-E390 PolarHBondContact O-N 2.88Å
387	D	88.8	Confident	78.1	Confident	30 Å²	30	66 Å²	66	16%	0.16	33%	0.329	C	S	.	.	H	α-helix	trans	-49.3	-47.1	167.9	-91.6	-52.7	0	0	0	112.1	T383 V389 R391 P434	T383-D387 VanDerWaalsContact O-CB 3.29Å; T383-D387 WeakPolarHBondContact O-CB 3.46Å; T383-D387 PolarHBondContact O-N 3.23Å; D387-V389 VanDerWaalsContact C-N 3.35Å; D387-V389 PolarHBondContact O-N 2.71Å; D387-R391 WeakPolarHBondContact O-CB 3.25Å; D387-R391 WeakPolarHBondContact O-CG 3.43Å; D387-R391 PolarHBondContact O-N 3.33Å; D387-R391 IonicContact OD1-CZ 2.67Å; D387-R391 IonicContact OD1-NE 2.66Å; D387-R391 PolarHBondContact OD1-NE 3Å; D387-R391 IonicContact OD1-NH2 2.66Å; D387-R391 PolarHBondContact OD1-NH2 3.2Å; D387-R391 IonicContact OD2-NH2 3.96Å; D387-P434 HydrophobicContact CB-CB 4.17Å; D387-P434 HydrophobicContact CB-CG 4.15Å
388	L	92.1	Very high	80.3	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-69.4	-30.1	-179.6	-77.9	169.8	0	0	0	112.9	L384 L385 D386 D392 L433 P434 F435 V536 V540 L561	L384-L388 HydrophobicContact CD1-CD1 4.29Å; L384-L388 HydrophobicContact CG-CD1 4.36Å; L384-L388 WeakPolarHBondContact O-CB 3.38Å; L384-L388 WeakPolarHBondContact O-CD1 3.4Å; L384-L388 WeakPolarHBondContact O-CG 3.31Å; L384-L388 PolarHBondContact O-N 3.03Å; L385-L388 PolarHBondContact O-N 3.29Å; D386-L388 VanDerWaalsContact C-N 3.28Å; D386-L388 PolarHBondContact O-N 3.23Å; L388-D392 WeakPolarHBondContact O-CB 3.35Å; L388-D392 PolarHBondContact O-N 3.13Å; L388-L433 HydrophobicContact CD2-CD2 3.76Å; L388-P434 HydrophobicContact CD2-CG 4.05Å; L388-P434 HydrophobicContact CG-CG 4.11Å; L388-F435 HydrophobicContact CD2-CE1 4.29Å; L388-V536 HydrophobicContact CB-CB 4.37Å; L388-V536 HydrophobicContact CB-CG2 4.01Å; L388-V540 HydrophobicContact CD2-CG2 3.95Å; L388-L561 HydrophobicContact CD1-CD2 3.58Å
389	V	91.9	Very high	82.1	Confident	27 Å²	27	47.9 Å²	47.9	16%	0.164	26%	0.257	C	S	.	.	H	α-helix	trans	-74.5	-39	177.7	166.9	0	0	0	0	112.1	L385 D386 D387 R532 V536	L385-V389 WeakPolarHBondContact O-CG2 3.41Å; L385-V389 PolarHBondContact O-N 2.84Å; D386-V389 PolarHBondContact O-N 3.28Å; D387-V389 VanDerWaalsContact C-N 3.35Å; D387-V389 PolarHBondContact O-N 2.71Å; V389-R532 HydrophobicContact CG1-CG 4.2Å; V389-V536 HydrophobicContact CG2-CG1 4.37Å; V389-V536 HydrophobicContact CG2-CG2 3.62Å
390	E	89.5	Confident	83.3	Confident	153 Å²	153	44.5 Å²	44.5	72%	0.715	24%	0.239	S	C	*	.	H	α-helix	trans	-68.8	-51.4	175.6	-173.2	-177.9	166.1	0	0	111	D386 D392	D386-E390 PolarHBondContact O-N 2.88Å; E390-D392 VanDerWaalsContact C-N 3.34Å; E390-D392 PolarHBondContact O-N 2.87Å
391	R	90.2	Very high	83.6	Confident	97 Å²	97	48.6 Å²	48.6	37%	0.366	25%	0.253	S	S	.	.	H	α-helix	trans	-76.6	-12.8	-172.1	-59.9	176.9	-161.1	-148.4	6.8	114.5	D387 Q393 N432	D387-R391 WeakPolarHBondContact O-CB 3.25Å; D387-R391 WeakPolarHBondContact O-CG 3.43Å; D387-R391 PolarHBondContact O-N 3.33Å; D387-R391 IonicContact OD1-CZ 2.67Å; D387-R391 IonicContact OD1-NE 2.66Å; D387-R391 PolarHBondContact OD1-NE 3Å; D387-R391 IonicContact OD1-NH2 2.66Å; D387-R391 PolarHBondContact OD1-NH2 3.2Å; D387-R391 IonicContact OD2-NH2 3.96Å; R391-Q393 VanDerWaalsContact C-N 3.26Å; R391-Q393 PolarHBondContact O-N 2.73Å; R391-N432 HydrophobicContact CB-CB 4.39Å; R391-N432 WeakPolarHBondContact CD-O 3.45Å
392	D	91.5	Very high	83.1	Confident	6 Å²	6	47.8 Å²	47.8	3%	0.032	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.7	-179.8	-162.7	61	0	0	0	113.4	L388 E390 L394 W429 Y535 V536 K539	L388-D392 WeakPolarHBondContact O-CB 3.35Å; L388-D392 PolarHBondContact O-N 3.13Å; E390-D392 VanDerWaalsContact C-N 3.34Å; E390-D392 PolarHBondContact O-N 2.87Å; D392-L394 PolarHBondContact O-N 3.07Å; D392-W429 PolarHBondContact OD1-NE1 3.05Å; D392-Y535 VanDerWaalsContact OD2-CE1 3.29Å; D392-Y535 WeakPolarHBondContact OD2-CE1 3.14Å; D392-Y535 PolarHBondContact OD2-OH 3.41Å; D392-V536 HydrophobicContact CB-CG1 3.93Å; D392-K539 VanDerWaalsContact CG-NZ 3.32Å; D392-K539 VanDerWaalsContact OD1-CD 3.25Å; D392-K539 WeakPolarHBondContact OD1-CD 3.2Å; D392-K539 WeakPolarHBondContact OD1-CE 3.34Å; D392-K539 IonicContact OD1-NZ 3.31Å; D392-K539 PolarHBondContact OD1-NZ 2.86Å; D392-K539 IonicContact OD2-NZ 2.72Å; D392-K539 PolarHBondContact OD2-NZ 3.32Å
393	Q	88	Confident	82.6	Confident	89 Å²	89	48 Å²	48	42%	0.416	25%	0.252	S	S	.	.			trans	41.6	44.7	178.8	-61.2	-176.7	-0.9	0	0	113.5	R391 E395 S396 L397	R391-Q393 VanDerWaalsContact C-N 3.26Å; R391-Q393 PolarHBondContact O-N 2.73Å; Q393-E395 VanDerWaalsContact C-N 3.25Å; Q393-E395 PolarHBondContact O-N 3.45Å; Q393-S396 WeakPolarHBondContact O-CA 3.29Å; Q393-S396 VanDerWaalsContact O-CB 3.24Å; Q393-S396 WeakPolarHBondContact O-CB 3.42Å; Q393-S396 PolarHBondContact O-N 3.25Å; Q393-L397 PolarHBondContact O-N 3.29Å; Q393-L397 VanDerWaalsContact O-N 3.1Å
394	L	89.3	Confident	81.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-37.4	-51	-172.7	173.4	67.6	0	0	0	114.2	D392 L397 I398 F462 Y463 Y535	D392-L394 PolarHBondContact O-N 3.07Å; L394-L397 WeakPolarHBondContact O-CB 3.32Å; L394-L397 PolarHBondContact O-N 3.02Å; L394-I398 HydrophobicContact CD1-CD1 3.73Å; L394-I398 HydrophobicContact CG-CD1 3.86Å; L394-I398 WeakPolarHBondContact O-CD1 3.08Å; L394-I398 VanDerWaalsContact O-CG1 3.27Å; L394-I398 WeakPolarHBondContact O-CG1 3.39Å; L394-I398 PolarHBondContact O-N 3.46Å; L394-F462 HydrophobicContact CD1-CD1 4.38Å; L394-F462 HydrophobicContact CD2-CD1 3.59Å; L394-F462 HydrophobicContact CD2-CE1 3.8Å; L394-Y463 HydrophobicContact CD2-CD2 4.34Å; L394-Y463 HydrophobicContact CG-CD2 4.45Å; L394-Y535 HydrophobicContact CD1-CE1 4.45Å; L394-Y535 WeakPolarHBondContact CD1-OH 3.27Å
395	E	85.5	Confident	79.2	Confident	71 Å²	71	52.7 Å²	52.7	33%	0.332	28%	0.282	S	S	.	.	H	α-helix	trans	-67	-40.3	-176.1	-60.9	69.1	-151.9	0	0	111.4	Q393 L397 I398 C399 Y463 R532	Q393-E395 VanDerWaalsContact C-N 3.25Å; Q393-E395 PolarHBondContact O-N 3.45Å; E395-L397 VanDerWaalsContact C-N 3.31Å; E395-L397 PolarHBondContact O-N 2.66Å; E395-I398 PolarHBondContact O-N 3.44Å; E395-C399 VanDerWaalsContact O-CB 3.22Å; E395-C399 WeakPolarHBondContact O-CB 3.31Å; E395-C399 PolarHBondContact O-N 2.98Å; E395-Y463 HydrophobicContact CG-CD2 4.47Å; E395-Y463 HydrophobicContact CG-CE2 4.21Å; E395-R532 IonicContact OE1-NH1 2.67Å
396	S	84.8	Confident	77.3	Confident	54 Å²	54	60.4 Å²	60.4	38%	0.378	32%	0.318	S	S	.	.	H	α-helix	trans	-63.2	-37.3	173.8	-171.1	0	0	0	0	111.5	Q393 K425	Q393-S396 WeakPolarHBondContact O-CA 3.29Å; Q393-S396 VanDerWaalsContact O-CB 3.24Å; Q393-S396 WeakPolarHBondContact O-CB 3.42Å; Q393-S396 PolarHBondContact O-N 3.25Å; S396-K425 VanDerWaalsContact O-CD 3.24Å; S396-K425 WeakPolarHBondContact O-CD 3.45Å; S396-K425 WeakPolarHBondContact O-CE 3.45Å; S396-K425 PolarHBondContact O-NZ 3.13Å
397	L	84.5	Confident	75.3	Confident	8 Å²	8	65 Å²	65	4%	0.042	34%	0.335	C	S	.	.	H	α-helix	trans	-68.9	-35.5	179.5	176.9	60.7	0	0	0	113.2	Q393 L394 E395 K425 L426 W429 F605	Q393-L397 PolarHBondContact O-N 3.29Å; Q393-L397 VanDerWaalsContact O-N 3.1Å; L394-L397 WeakPolarHBondContact O-CB 3.32Å; L394-L397 PolarHBondContact O-N 3.02Å; E395-L397 VanDerWaalsContact C-N 3.31Å; E395-L397 PolarHBondContact O-N 2.66Å; L397-K425 HydrophobicContact CD1-CB 3.95Å; L397-K425 WeakPolarHBondContact O-CD 3.16Å; L397-L426 HydrophobicContact CD1-CD2 4.19Å; L397-L426 HydrophobicContact CD1-CG 4.3Å; L397-W429 HydrophobicContact CD1-CB 4.05Å; L397-W429 HydrophobicContact CD2-CB 4.3Å; L397-W429 HydrophobicContact CD2-CD2 4.47Å; L397-W429 HydrophobicContact CD2-CG 4.06Å; L397-F605 WeakPolarHBondContact O-CE1 3.38Å
398	I	83.7	Confident	73.5	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-116.2	-24.4	-167.5	68.8	-158.9	0	0	0	115.9	L394 E395 L400 Y463 F605	L394-I398 HydrophobicContact CD1-CD1 3.73Å; L394-I398 HydrophobicContact CG-CD1 3.86Å; L394-I398 WeakPolarHBondContact O-CD1 3.08Å; L394-I398 VanDerWaalsContact O-CG1 3.27Å; L394-I398 WeakPolarHBondContact O-CG1 3.39Å; L394-I398 PolarHBondContact O-N 3.46Å; E395-I398 PolarHBondContact O-N 3.44Å; I398-L400 PolarHBondContact O-N 3.25Å; I398-Y463 HydrophobicContact CD1-CD1 3.91Å; I398-Y463 HydrophobicContact CD1-CD2 3.53Å; I398-Y463 HydrophobicContact CD1-CE2 4.25Å; I398-Y463 HydrophobicContact CD1-CG 3.29Å; I398-Y463 HydrophobicContact CG1-CD2 4.43Å; I398-Y463 HydrophobicContact CG1-CG 4.35Å; I398-F605 WeakPolarHBondContact O-CD1 3.5Å
399	C	83.3	Confident	71.6	Confident	25 Å²	25	70 Å²	70	17%	0.169	36%	0.358	C	S	.	.	S	Bend	trans	-81.8	101.1	177.5	-64.1	0	0	0	0	108.8	E395 Q401 K425	E395-C399 VanDerWaalsContact O-CB 3.22Å; E395-C399 WeakPolarHBondContact O-CB 3.31Å; E395-C399 PolarHBondContact O-N 2.98Å; C399-Q401 PolarHBondContact O-N 3.49Å; C399-K425 PolarHBondContact O-NZ 2.91Å
400	L	77.6	Confident	70.1	Confident	10 Å²	10	71 Å²	71	5%	0.052	36%	0.363	C	S	.	.			trans	-56.2	126.8	176.6	-59.1	170.7	0	0	0	110.3	I398 C402 I418 E421 I422 F605 M606 Q609	I398-L400 PolarHBondContact O-N 3.25Å; L400-C402 PolarHBondContact O-N 3.35Å; L400-I418 HydrophobicContact CD1-CG1 4.36Å; L400-I418 HydrophobicContact CD1-CG2 3.59Å; L400-I418 HydrophobicContact CD2-CG2 4.13Å; L400-E421 WeakPolarHBondContact CA-OE2 3.12Å; L400-E421 WeakPolarHBondContact CB-OE2 3.44Å; L400-E421 WeakPolarHBondContact CD2-OE2 3.4Å; L400-I422 HydrophobicContact CD2-CD1 4.36Å; L400-I422 HydrophobicContact CD2-CG1 3.82Å; L400-F605 HydrophobicContact CD1-CB 3.76Å; L400-F605 HydrophobicContact CD2-CB 4.02Å; L400-F605 HydrophobicContact CD2-CD1 3.94Å; L400-F605 HydrophobicContact CD2-CG 4.19Å; L400-F605 HydrophobicContact CG-CB 3.81Å; L400-F605 HydrophobicContact CG-CD1 4.4Å; L400-F605 HydrophobicContact CG-CG 4.48Å; L400-M606 HydrophobicContact CD1-CG 4.22Å; L400-Q609 HydrophobicContact CB-CG 4.25Å; L400-Q609 PolarHBondContact O-NE2 2.84Å
401	Q	67.3	Low	68.7	Low	136 Å²	136	64.1 Å²	64.1	64%	0.636	33%	0.332	S	S	*	.			trans	-88.7	85.6	168	-68.5	178.9	-10.9	0	0	106.2	C399 P403 E421	C399-Q401 PolarHBondContact O-N 3.49Å; Q401-P403 WeakPolarHBondContact O-CD 3.5Å; Q401-E421 PolarHBondContact N-OE1 3.06Å; Q401-E421 PolarHBondContact N-OE2 3.43Å
402	C	55.2	Low	67.1	Low	57 Å²	57	62.5 Å²	62.5	39%	0.385	34%	0.335	S	S	.	.			trans	-92.4	85	172.3	-178.1	0	0	0	0	109.1	L400	L400-C402 PolarHBondContact O-N 3.35Å
403	P	51.4	Low	65.7	Low	79 Å²	79	64.9 Å²	64.9	51%	0.513	35%	0.353	S	S	.	.			trans	-60.5	144.4	166.8	29.8	-35.5	0	0	0	108.2	Q401 S405	Q401-P403 WeakPolarHBondContact O-CD 3.5Å; P403-S405 PolarHBondContact O-N 3.21Å
404	V	49.3	Very low	64.6	Low	129 Å²	129	62.9 Å²	62.9	78%	0.782	34%	0.341	S	S	*	.			trans	-72.9	72.1	170.9	-173.9	0	0	0	0	108.3	E406	V404-E406 PolarHBondContact O-N 3.19Å; V404-E406 VanDerWaalsContact O-N 3.11Å
405	S	44.5	Very low	63.6	Low	40 Å²	40	64 Å²	64	28%	0.28	35%	0.347	S	S	.	.			trans	-70.4	108.5	179.3	-173.1	0	0	0	0	108.6	P403 K407 C408 R414	P403-S405 PolarHBondContact O-N 3.21Å; S405-K407 PolarHBondContact O-N 2.98Å; S405-K407 VanDerWaalsContact O-N 3.12Å; S405-C408 PolarHBondContact O-N 3.2Å; S405-R414 PolarHBondContact O-NH2 3.06Å
406	E	47.2	Very low	62.6	Low	170 Å²	170	62.5 Å²	62.5	79%	0.794	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.7	179.3	-57.9	-179	122.6	0	0	112.4	V404 C408	V404-E406 PolarHBondContact O-N 3.19Å; V404-E406 VanDerWaalsContact O-N 3.11Å; E406-C408 VanDerWaalsContact C-N 3.3Å; E406-C408 PolarHBondContact O-N 3.07Å
407	K	46.3	Very low	62	Low	179 Å²	179	63.6 Å²	63.6	78%	0.778	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-10.4	179.6	-61	-175.6	178.3	-178.3	0	114.6	S405 H409	S405-K407 PolarHBondContact O-N 2.98Å; S405-K407 VanDerWaalsContact O-N 3.12Å; K407-H409 PolarHBondContact O-CD2 3.06Å; K407-H409 PolarHBondContact O-N 2.92Å
408	C	49.6	Very low	61.5	Low	20 Å²	20	63.6 Å²	63.6	14%	0.135	34%	0.342	C	S	.	.			trans	-95.5	99.3	-179	-156.3	0	0	0	0	110.4	S405 E406 S413 R414	S405-C408 PolarHBondContact O-N 3.2Å; E406-C408 VanDerWaalsContact C-N 3.3Å; E406-C408 PolarHBondContact O-N 3.07Å; C408-S413 WeakPolarHBondContact SG-CB 3.32Å; C408-R414 HydrophobicContact CB-CG 3.97Å; C408-R414 PolarHBondContact O-NE 3.2Å; C408-R414 PolarHBondContact O-NH2 3.37Å; C408-R414 WeakPolarHBondContact SG-CG 3.41Å
409	H	53.3	Low	60.9	Low	119 Å²	119	63.7 Å²	63.7	55%	0.551	34%	0.343	S	S	*	.			trans	-85.1	-5.8	-170.8	-65.5	-94.8	0	0	0	114.8	R123 K407	R123-H409 PolarHBondContact NH1-ND1 2.94Å; K407-H409 PolarHBondContact O-CD2 3.06Å; K407-H409 PolarHBondContact O-N 2.92Å
410	D	60.7	Low	60.2	Low	49 Å²	49	65.9 Å²	65.9	26%	0.262	35%	0.351	S	S	.	.			trans	-136.5	136.9	-169	-179	-22.1	0	0	0	110.5	V116 S412 S413 R414	V116-D410 HydrophobicContact CG1-CB 4.2Å; V116-D410 HydrophobicContact CG2-CB 4.43Å; V116-D410 WeakPolarHBondContact CG2-OD1 3.16Å; D410-S412 WeakPolarHBondContact OD1-CA 3.48Å; D410-S412 WeakPolarHBondContact OD1-CB 3.13Å; D410-S412 PolarHBondContact OD1-N 3.26Å; D410-S413 PolarHBondContact O-N 2.97Å; D410-R414 PolarHBondContact O-N 2.97Å; D410-R414 VanDerWaalsContact O-N 3.14Å
411	A	58.9	Low	60.3	Low	8 Å²	8	66.4 Å²	66.4	7%	0.066	35%	0.353	C	S	.	.	H	α-helix	trans	-57.7	-44.1	174.3	0	0	0	0	0	113.2	L112 V116 S413 R414 L415 L498	L112-A411 HydrophobicContact CD2-CB 4.11Å; V116-A411 HydrophobicContact CG2-CB 3.76Å; A411-S413 VanDerWaalsContact C-N 3.33Å; A411-S413 PolarHBondContact O-N 3Å; A411-R414 PolarHBondContact O-N 3.14Å; A411-L415 WeakPolarHBondContact O-CG 3.38Å; A411-L415 PolarHBondContact O-N 3.37Å; A411-L498 HydrophobicContact CB-CD1 4.4Å; A411-L498 HydrophobicContact CB-CD2 3.53Å; A411-L498 HydrophobicContact CB-CG 4.47Å
412	S	58	Low	60.9	Low	62 Å²	62	60.2 Å²	60.2	43%	0.434	32%	0.324	S	S	.	.	H	α-helix	trans	-60.9	-41.9	177	-170.5	0	0	0	0	111.3	D410 R414 L415 T416	D410-S412 WeakPolarHBondContact OD1-CA 3.48Å; D410-S412 WeakPolarHBondContact OD1-CB 3.13Å; D410-S412 PolarHBondContact OD1-N 3.26Å; S412-R414 PolarHBondContact O-N 3.3Å; S412-L415 PolarHBondContact O-N 3.09Å; S412-T416 WeakPolarHBondContact O-CB 3.48Å; S412-T416 PolarHBondContact O-N 2.84Å; S412-T416 PolarHBondContact O-OG1 3.34Å
413	S	61.9	Low	61.9	Low	57 Å²	57	58.4 Å²	58.4	40%	0.399	31%	0.311	S	S	.	.	H	α-helix	trans	-64.6	-38.1	175	-58.3	0	0	0	0	112.7	C408 D410 A411 T416 Q417	C408-S413 WeakPolarHBondContact SG-CB 3.32Å; D410-S413 PolarHBondContact O-N 2.97Å; A411-S413 VanDerWaalsContact C-N 3.33Å; A411-S413 PolarHBondContact O-N 3Å; S413-T416 PolarHBondContact O-N 2.88Å; S413-Q417 WeakPolarHBondContact O-CB 3.46Å; S413-Q417 PolarHBondContact O-N 2.84Å
414	R	65	Low	63.3	Low	47 Å²	47	59.3 Å²	59.3	18%	0.177	31%	0.305	C	S	.	.	H	α-helix	trans	-65.1	-45.2	174.3	-68.1	-176.9	-179.4	-91.4	-10.9	112.3	S405 C408 D410 A411 S412 T416 Q417 I418 A497	S405-R414 PolarHBondContact O-NH2 3.06Å; C408-R414 HydrophobicContact CB-CG 3.97Å; C408-R414 PolarHBondContact O-NE 3.2Å; C408-R414 PolarHBondContact O-NH2 3.37Å; C408-R414 WeakPolarHBondContact SG-CG 3.41Å; D410-R414 PolarHBondContact O-N 2.97Å; D410-R414 VanDerWaalsContact O-N 3.14Å; A411-R414 PolarHBondContact O-N 3.14Å; S412-R414 PolarHBondContact O-N 3.3Å; R414-T416 VanDerWaalsContact C-N 3.29Å; R414-T416 PolarHBondContact O-N 3.21Å; R414-Q417 PolarHBondContact O-N 3.43Å; R414-I418 WeakPolarHBondContact O-CG1 3.31Å; R414-I418 PolarHBondContact O-N 2.85Å; R414-A497 WeakPolarHBondContact CD-O 3.34Å
415	L	67	Low	65	Low	22 Å²	22	53.4 Å²	53.4	12%	0.115	27%	0.268	C	S	.	.	H	α-helix	trans	-66.8	-31.4	177.4	-64.4	177.3	0	0	0	112.2	L112 A411 S412 I418 G419 L498 Y602	L112-L415 HydrophobicContact CD1-CD1 4.09Å; A411-L415 WeakPolarHBondContact O-CG 3.38Å; A411-L415 PolarHBondContact O-N 3.37Å; S412-L415 PolarHBondContact O-N 3.09Å; L415-I418 HydrophobicContact CD2-CD1 4.47Å; L415-G419 PolarHBondContact O-N 2.92Å; L415-L498 HydrophobicContact CG-CD2 4.42Å; L415-Y602 HydrophobicContact CB-CE1 4.4Å; L415-Y602 HydrophobicContact CD1-CE1 4.31Å; L415-Y602 HydrophobicContact CD2-CD1 4.28Å; L415-Y602 HydrophobicContact CD2-CE1 3.79Å; L415-Y602 HydrophobicContact CD2-CE2 4.42Å; L415-Y602 HydrophobicContact CG-CE1 4.39Å
416	T	66.2	Low	66.9	Low	40 Å²	40	51.9 Å²	51.9	25%	0.245	26%	0.257	C	S	.	.	H	α-helix	trans	-69.8	-46.2	173.6	-57.6	0	0	0	0	111.2	S412 S413 R414 I418 G419 E420	S412-T416 WeakPolarHBondContact O-CB 3.48Å; S412-T416 PolarHBondContact O-N 2.84Å; S412-T416 PolarHBondContact O-OG1 3.34Å; S413-T416 PolarHBondContact O-N 2.88Å; R414-T416 VanDerWaalsContact C-N 3.29Å; R414-T416 PolarHBondContact O-N 3.21Å; T416-I418 VanDerWaalsContact C-N 3.28Å; T416-I418 PolarHBondContact O-N 3.19Å; T416-G419 CarbonylContact O-C 3.23Å; T416-G419 WeakPolarHBondContact O-CA 3.47Å; T416-G419 PolarHBondContact O-N 3.28Å; T416-E420 PolarHBondContact O-N 3.35Å
417	Q	71.5	Confident	68.7	Low	78 Å²	78	44.7 Å²	44.7	36%	0.364	23%	0.225	S	C	.	.	H	α-helix	trans	-58.3	-38.1	175.4	-174.4	-177.6	-0.5	0	0	112.3	S413 R414 E420 E421	S413-Q417 WeakPolarHBondContact O-CB 3.46Å; S413-Q417 PolarHBondContact O-N 2.84Å; R414-Q417 PolarHBondContact O-N 3.43Å; Q417-E420 PolarHBondContact O-N 2.91Å; Q417-E421 PolarHBondContact O-N 2.78Å
418	I	73	Confident	70.6	Confident	8 Å²	8	39.9 Å²	39.9	4%	0.041	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-43	172.1	-72.5	166.6	0	0	0	110.9	L400 R414 L415 T416 E421 I422	L400-I418 HydrophobicContact CD1-CG1 4.36Å; L400-I418 HydrophobicContact CD1-CG2 3.59Å; L400-I418 HydrophobicContact CD2-CG2 4.13Å; R414-I418 WeakPolarHBondContact O-CG1 3.31Å; R414-I418 PolarHBondContact O-N 2.85Å; L415-I418 HydrophobicContact CD2-CD1 4.47Å; T416-I418 VanDerWaalsContact C-N 3.28Å; T416-I418 PolarHBondContact O-N 3.19Å; I418-E421 PolarHBondContact O-N 3.29Å; I418-I422 HydrophobicContact CG2-CD1 3.85Å; I418-I422 WeakPolarHBondContact O-CD1 2.94Å; I418-I422 WeakPolarHBondContact O-CG1 2.98Å; I418-I422 PolarHBondContact O-N 2.72Å
419	G	70.9	Confident	72.5	Confident	3 Å²	3	39.3 Å²	39.3	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-60.7	-44	174.5	0	0	0	0	0	113.5	L415 T416 E421 I422 V423	L415-G419 PolarHBondContact O-N 2.92Å; T416-G419 CarbonylContact O-C 3.23Å; T416-G419 WeakPolarHBondContact O-CA 3.47Å; T416-G419 PolarHBondContact O-N 3.28Å; G419-E421 PolarHBondContact O-N 2.93Å; G419-I422 WeakPolarHBondContact O-CB 3.44Å; G419-I422 PolarHBondContact O-N 2.83Å; G419-V423 WeakPolarHBondContact O-CG2 3.5Å; G419-V423 PolarHBondContact O-N 3.01Å
420	E	69.3	Low	74.2	Confident	71 Å²	71	33.7 Å²	33.7	33%	0.332	17%	0.174	S	C	.	.	H	α-helix	trans	-62.5	-40.5	174.8	-67.4	177.3	167.1	0	0	111.9	M89 T416 Q417 V423 R424	M89-E420 HydrophobicContact CE-CG 4.13Å; M89-E420 VanDerWaalsContact CE-OE1 3.23Å; M89-E420 WeakPolarHBondContact CE-OE1 3.29Å; T416-E420 PolarHBondContact O-N 3.35Å; Q417-E420 PolarHBondContact O-N 2.91Å; E420-V423 PolarHBondContact O-N 2.9Å; E420-R424 VanDerWaalsContact O-CB 3.3Å; E420-R424 WeakPolarHBondContact O-CB 3.24Å; E420-R424 PolarHBondContact O-N 3.3Å
421	E	78.9	Confident	75.4	Confident	21 Å²	21	37.4 Å²	37.4	10%	0.098	19%	0.185	C	C	.	.	H	α-helix	trans	-63.5	-42.2	176.3	-158.3	-157.8	163.6	0	0	111.9	L400 Q401 Q417 I418 G419 R424 K425	L400-E421 WeakPolarHBondContact CA-OE2 3.12Å; L400-E421 WeakPolarHBondContact CB-OE2 3.44Å; L400-E421 WeakPolarHBondContact CD2-OE2 3.4Å; Q401-E421 PolarHBondContact N-OE1 3.06Å; Q401-E421 PolarHBondContact N-OE2 3.43Å; Q417-E421 PolarHBondContact O-N 2.78Å; I418-E421 PolarHBondContact O-N 3.29Å; G419-E421 PolarHBondContact O-N 2.93Å; E421-R424 PolarHBondContact O-N 2.76Å; E421-R424 IonicContact OE1-NH2 3.54Å; E421-K425 HydrophobicContact CG-CD 4.26Å; E421-K425 WeakPolarHBondContact O-CB 3.17Å; E421-K425 VanDerWaalsContact O-CG 3.29Å; E421-K425 WeakPolarHBondContact O-CG 3.47Å; E421-K425 PolarHBondContact O-N 2.7Å; E421-K425 WeakPolarHBondContact OE1-CE 3.24Å; E421-K425 IonicContact OE1-NZ 3.6Å; E421-K425 PolarHBondContact OE1-NZ 3.42Å
422	I	80	Confident	76.9	Confident	5 Å²	5	39.3 Å²	39.3	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-58.7	-51.1	175.6	-72.7	165.6	0	0	0	110.7	L400 I418 G419 K425 L426 F605	L400-I422 HydrophobicContact CD2-CD1 4.36Å; L400-I422 HydrophobicContact CD2-CG1 3.82Å; I418-I422 HydrophobicContact CG2-CD1 3.85Å; I418-I422 WeakPolarHBondContact O-CD1 2.94Å; I418-I422 WeakPolarHBondContact O-CG1 2.98Å; I418-I422 PolarHBondContact O-N 2.72Å; G419-I422 WeakPolarHBondContact O-CB 3.44Å; G419-I422 PolarHBondContact O-N 2.83Å; I422-K425 PolarHBondContact O-N 2.82Å; I422-L426 HydrophobicContact CG2-CD1 3.92Å; I422-L426 WeakPolarHBondContact O-CG 3.36Å; I422-L426 PolarHBondContact O-N 2.99Å; I422-F605 HydrophobicContact CB-CE1 4.45Å; I422-F605 HydrophobicContact CB-CE2 4.14Å; I422-F605 HydrophobicContact CB-CZ 4.02Å; I422-F605 HydrophobicContact CD1-CB 4.39Å; I422-F605 HydrophobicContact CD1-CD1 4.4Å; I422-F605 HydrophobicContact CD1-CD2 3.4Å; I422-F605 HydrophobicContact CD1-CE2 3.62Å; I422-F605 HydrophobicContact CD1-CG 3.82Å; I422-F605 HydrophobicContact CD1-CZ 4.25Å; I422-F605 HydrophobicContact CG1-CD1 3.87Å; I422-F605 HydrophobicContact CG1-CD2 3.67Å; I422-F605 HydrophobicContact CG1-CE1 3.8Å; I422-F605 HydrophobicContact CG1-CE2 3.57Å; I422-F605 HydrophobicContact CG1-CG 3.82Å; I422-F605 HydrophobicContact CG1-CZ 3.65Å; I422-F605 HydrophobicContact CG2-CD2 4.42Å; I422-F605 HydrophobicContact CG2-CE1 4.32Å; I422-F605 HydrophobicContact CG2-CE2 3.51Å; I422-F605 HydrophobicContact CG2-CZ 3.46Å; I422-F605 VanDerWaalsContact CG2-CZ 3.46Å
423	V	77.4	Confident	78.4	Confident	19 Å²	19	36.7 Å²	36.7	12%	0.115	18%	0.175	C	C	.	.	H	α-helix	trans	-61	-50.5	178.6	172.9	0	0	0	0	110.1	A88 F92 G419 E420 K425 L426 V427	A88-V423 HydrophobicContact CB-CG1 3.93Å; F92-V423 HydrophobicContact CB-CG2 4.27Å; F92-V423 HydrophobicContact CD2-CG2 3.78Å; F92-V423 HydrophobicContact CE2-CG2 4.27Å; F92-V423 HydrophobicContact CG-CG2 3.99Å; G419-V423 WeakPolarHBondContact O-CG2 3.5Å; G419-V423 PolarHBondContact O-N 3.01Å; E420-V423 PolarHBondContact O-N 2.9Å; V423-K425 PolarHBondContact O-N 2.95Å; V423-L426 PolarHBondContact O-N 2.89Å; V423-V427 HydrophobicContact CG1-CG2 4.34Å; V423-V427 VanDerWaalsContact O-CG2 3.24Å; V423-V427 WeakPolarHBondContact O-CG2 3.3Å; V423-V427 PolarHBondContact O-N 3.5Å
424	R	80.5	Confident	79.6	Confident	98 Å²	98	35.3 Å²	35.3	37%	0.37	16%	0.164	S	C	.	.	H	α-helix	trans	-52.1	-42.2	178.2	-176	-169	62.4	71.6	-6	112.2	E420 E421 Q428	E420-R424 VanDerWaalsContact O-CB 3.3Å; E420-R424 WeakPolarHBondContact O-CB 3.24Å; E420-R424 PolarHBondContact O-N 3.3Å; E421-R424 PolarHBondContact O-N 2.76Å; E421-R424 IonicContact OE1-NH2 3.54Å; R424-Q428 WeakPolarHBondContact O-CB 3.41Å; R424-Q428 PolarHBondContact O-N 2.91Å
425	K	84.7	Confident	80.6	Confident	5 Å²	5	33 Å²	33	2%	0.022	16%	0.156	C	C	.	.	H	α-helix	trans	-72.5	-41.3	-179	-75.3	171	163.3	-177.6	0	113.5	S396 L397 C399 E421 I422 V423 V427 Q428 W429	S396-K425 VanDerWaalsContact O-CD 3.24Å; S396-K425 WeakPolarHBondContact O-CD 3.45Å; S396-K425 WeakPolarHBondContact O-CE 3.45Å; S396-K425 PolarHBondContact O-NZ 3.13Å; L397-K425 HydrophobicContact CD1-CB 3.95Å; L397-K425 WeakPolarHBondContact O-CD 3.16Å; C399-K425 PolarHBondContact O-NZ 2.91Å; E421-K425 HydrophobicContact CG-CD 4.26Å; E421-K425 WeakPolarHBondContact O-CB 3.17Å; E421-K425 VanDerWaalsContact O-CG 3.29Å; E421-K425 WeakPolarHBondContact O-CG 3.47Å; E421-K425 PolarHBondContact O-N 2.7Å; E421-K425 WeakPolarHBondContact OE1-CE 3.24Å; E421-K425 IonicContact OE1-NZ 3.6Å; E421-K425 PolarHBondContact OE1-NZ 3.42Å; I422-K425 PolarHBondContact O-N 2.82Å; V423-K425 PolarHBondContact O-N 2.95Å; K425-V427 VanDerWaalsContact C-N 3.29Å; K425-V427 PolarHBondContact O-N 3.35Å; K425-Q428 PolarHBondContact O-N 3.36Å; K425-W429 WeakPolarHBondContact O-CB 3.3Å; K425-W429 PolarHBondContact O-N 3.48Å
426	L	85.3	Confident	81.4	Confident	8 Å²	8	33.6 Å²	33.6	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-60	-41.5	174.3	-75.3	160.3	0	0	0	111.7	L397 I422 V423 T430 L448 W452 I455 V456	L397-L426 HydrophobicContact CD1-CD2 4.19Å; L397-L426 HydrophobicContact CD1-CG 4.3Å; I422-L426 HydrophobicContact CG2-CD1 3.92Å; I422-L426 WeakPolarHBondContact O-CG 3.36Å; I422-L426 PolarHBondContact O-N 2.99Å; V423-L426 PolarHBondContact O-N 2.89Å; L426-T430 PolarHBondContact O-N 3.32Å; L426-T430 PolarHBondContact O-OG1 3.33Å; L426-L448 HydrophobicContact CB-CD2 4.39Å; L426-W452 HydrophobicContact CD1-CB 4.14Å; L426-W452 HydrophobicContact CD1-CE3 4.32Å; L426-I455 HydrophobicContact CD2-CB 4.39Å; L426-I455 HydrophobicContact CD2-CG2 3.91Å; L426-V456 HydrophobicContact CD1-CG2 4.01Å; L426-V456 HydrophobicContact CD2-CG2 4.05Å; L426-V456 HydrophobicContact CG-CG2 4.47Å
427	V	84.4	Confident	82.3	Confident	20 Å²	20	38.9 Å²	38.9	12%	0.121	18%	0.183	C	C	.	.	H	α-helix	trans	-65.3	-46.1	175.7	174.4	0	0	0	0	111.1	Y84 V423 K425 T430 R431	Y84-V427 HydrophobicContact CD1-CG1 4.23Å; Y84-V427 HydrophobicContact CE1-CB 4.16Å; Y84-V427 HydrophobicContact CE1-CG1 3.48Å; Y84-V427 VanDerWaalsContact CE1-CG1 3.48Å; Y84-V427 HydrophobicContact CE1-CG2 3.55Å; V423-V427 HydrophobicContact CG1-CG2 4.34Å; V423-V427 VanDerWaalsContact O-CG2 3.24Å; V423-V427 WeakPolarHBondContact O-CG2 3.3Å; V423-V427 PolarHBondContact O-N 3.5Å; K425-V427 VanDerWaalsContact C-N 3.29Å; K425-V427 PolarHBondContact O-N 3.35Å; V427-T430 PolarHBondContact O-N 3.4Å; V427-R431 WeakPolarHBondContact O-CG 3.21Å; V427-R431 PolarHBondContact O-N 2.92Å
428	Q	85.7	Confident	82.9	Confident	78 Å²	78	37.1 Å²	37.1	36%	0.364	18%	0.177	S	C	.	.	H	α-helix	trans	-61.5	-44.4	177	-174.7	174	-2.7	0	0	112	R424 K425 T430 R431 N432	R424-Q428 WeakPolarHBondContact O-CB 3.41Å; R424-Q428 PolarHBondContact O-N 2.91Å; K425-Q428 PolarHBondContact O-N 3.36Å; Q428-T430 VanDerWaalsContact C-N 3.35Å; Q428-T430 PolarHBondContact O-N 3.43Å; Q428-R431 PolarHBondContact O-N 3.34Å; Q428-N432 VanDerWaalsContact O-CG 3.25Å; Q428-N432 PolarHBondContact O-N 3.35Å; Q428-N432 VanDerWaalsContact O-N 3.1Å; Q428-N432 PolarHBondContact O-OD1 2.92Å
429	W	90.8	Very high	83.2	Confident	7 Å²	7	37.1 Å²	37.1	3%	0.027	18%	0.177	C	C	.	.	H	α-helix	trans	-59.5	-43.2	174.6	168.7	75.2	0	0	0	112.3	D392 L397 K425 N432 L433 I455 K539 V540 L543	D392-W429 PolarHBondContact OD1-NE1 3.05Å; L397-W429 HydrophobicContact CD1-CB 4.05Å; L397-W429 HydrophobicContact CD2-CB 4.3Å; L397-W429 HydrophobicContact CD2-CD2 4.47Å; L397-W429 HydrophobicContact CD2-CG 4.06Å; K425-W429 WeakPolarHBondContact O-CB 3.3Å; K425-W429 PolarHBondContact O-N 3.48Å; W429-N432 WeakPolarHBondContact O-CB 3.11Å; W429-N432 PolarHBondContact O-N 2.89Å; W429-N432 VanDerWaalsContact O-N 3.16Å; W429-L433 HydrophobicContact CZ2-CD2 4.07Å; W429-I455 HydrophobicContact CE3-CG2 4.25Å; W429-I455 HydrophobicContact CH2-CD1 4.27Å; W429-I455 HydrophobicContact CH2-CG2 4.31Å; W429-I455 HydrophobicContact CZ3-CG1 4.47Å; W429-I455 HydrophobicContact CZ3-CG2 3.92Å; W429-K539 HydrophobicContact CH2-CD 4.23Å; W429-K539 HydrophobicContact CH2-CG 4.09Å; W429-K539 HydrophobicContact CZ2-CD 3.51Å; W429-K539 HydrophobicContact CZ2-CG 3.8Å; W429-V540 HydrophobicContact CZ2-CG2 4.43Å; W429-L543 HydrophobicContact CH2-CB 4.35Å; W429-L543 HydrophobicContact CH2-CD2 3.93Å; W429-L543 HydrophobicContact CZ3-CD1 4.4Å; W429-L543 HydrophobicContact CZ3-CD2 3.98Å
430	T	87.8	Confident	83.7	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-67.4	-39.7	-179.4	-54	0	0	0	0	111.4	L426 V427 Q428 N432 L433 Y436 F444 L448 L543	L426-T430 PolarHBondContact O-N 3.32Å; L426-T430 PolarHBondContact O-OG1 3.33Å; V427-T430 PolarHBondContact O-N 3.4Å; Q428-T430 VanDerWaalsContact C-N 3.35Å; Q428-T430 PolarHBondContact O-N 3.43Å; T430-N432 PolarHBondContact O-N 3.32Å; T430-L433 HydrophobicContact CG2-CD1 4.12Å; T430-L433 WeakPolarHBondContact O-CB 3.22Å; T430-L433 VanDerWaalsContact O-CG 3.3Å; T430-L433 WeakPolarHBondContact O-CG 3.49Å; T430-L433 PolarHBondContact O-N 2.96Å; T430-Y436 HydrophobicContact CG2-CD2 4.36Å; T430-Y436 HydrophobicContact CG2-CE2 4.35Å; T430-Y436 WeakPolarHBondContact O-CD2 3.15Å; T430-F444 HydrophobicContact CG2-CB 4.03Å; T430-F444 HydrophobicContact CG2-CD1 3.4Å; T430-F444 VanDerWaalsContact CG2-CD1 3.4Å; T430-F444 HydrophobicContact CG2-CE1 4.08Å; T430-F444 HydrophobicContact CG2-CG 3.91Å; T430-L448 HydrophobicContact CG2-CD1 4.22Å; T430-L448 WeakPolarHBondContact OG1-CD1 3.4Å; T430-L543 HydrophobicContact CG2-CD2 4.37Å
431	R	86.6	Confident	84.1	Confident	128 Å²	128	38.5 Å²	38.5	48%	0.483	19%	0.191	S	C	.	.	H	α-helix	trans	-65.1	-22	173	-71.8	-177.5	66.6	-165.8	-0.4	114.1	V427 Q428 L433 Y436	V427-R431 WeakPolarHBondContact O-CG 3.21Å; V427-R431 PolarHBondContact O-N 2.92Å; Q428-R431 PolarHBondContact O-N 3.34Å; R431-L433 VanDerWaalsContact C-N 3.33Å; R431-Y436 HydrophobicContact CG-CD2 4.47Å; R431-Y436 HydrophobicContact CG-CE1 4.19Å; R431-Y436 HydrophobicContact CG-CE2 3.93Å
432	N	89.5	Confident	84	Confident	47 Å²	47	43 Å²	43	25%	0.251	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-8.8	175.8	-71.4	-1.2	0	0	0	113.3	R391 Q428 W429 T430	R391-N432 HydrophobicContact CB-CB 4.39Å; R391-N432 WeakPolarHBondContact CD-O 3.45Å; Q428-N432 VanDerWaalsContact O-CG 3.25Å; Q428-N432 PolarHBondContact O-N 3.35Å; Q428-N432 VanDerWaalsContact O-N 3.1Å; Q428-N432 PolarHBondContact O-OD1 2.92Å; W429-N432 WeakPolarHBondContact O-CB 3.11Å; W429-N432 PolarHBondContact O-N 2.89Å; W429-N432 VanDerWaalsContact O-N 3.16Å; T430-N432 PolarHBondContact O-N 3.32Å
433	L	89.5	Confident	84	Confident	8 Å²	8	43.9 Å²	43.9	4%	0.042	22%	0.217	C	C	.	.	S	Bend	trans	-62.5	136.7	-180	-65.4	172.6	0	0	0	110.7	L388 W429 T430 R431 F435 Y436 F444 V540 L543	L388-L433 HydrophobicContact CD2-CD2 3.76Å; W429-L433 HydrophobicContact CZ2-CD2 4.07Å; T430-L433 HydrophobicContact CG2-CD1 4.12Å; T430-L433 WeakPolarHBondContact O-CB 3.22Å; T430-L433 VanDerWaalsContact O-CG 3.3Å; T430-L433 WeakPolarHBondContact O-CG 3.49Å; T430-L433 PolarHBondContact O-N 2.96Å; R431-L433 VanDerWaalsContact C-N 3.33Å; L433-F435 HydrophobicContact CB-CD2 4.43Å; L433-F435 HydrophobicContact CB-CE2 3.9Å; L433-F435 HydrophobicContact CB-CZ 3.93Å; L433-F435 HydrophobicContact CD1-CE2 3.9Å; L433-F435 HydrophobicContact CD1-CZ 4.03Å; L433-F435 HydrophobicContact CD2-CZ 4.17Å; L433-F435 HydrophobicContact CG-CE2 4.4Å; L433-F435 HydrophobicContact CG-CZ 4.27Å; L433-F435 PolarHBondContact O-N 3.13Å; L433-F435 VanDerWaalsContact O-N 3.09Å; L433-Y436 VanDerWaalsContact O-CB 3.31Å; L433-Y436 WeakPolarHBondContact O-CB 3.27Å; L433-Y436 PolarHBondContact O-N 3.44Å; L433-F444 HydrophobicContact CD1-CE1 4.07Å; L433-V540 HydrophobicContact CD2-CG2 3.99Å; L433-L543 HydrophobicContact CD1-CD2 3.87Å
434	P	87.3	Confident	84.2	Confident	27 Å²	27	43 Å²	43	18%	0.175	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.3	-172	23.8	-33.1	0	0	0	114.1	L384 D387 L388	L384-P434 HydrophobicContact CD1-CG 3.7Å; D387-P434 HydrophobicContact CB-CB 4.17Å; D387-P434 HydrophobicContact CB-CG 4.15Å; L388-P434 HydrophobicContact CD2-CG 4.05Å; L388-P434 HydrophobicContact CG-CG 4.11Å
435	F	85.6	Confident	83.9	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	17.4	176.9	50.7	-99.5	0	0	0	113	L384 L388 L433 N437 D438 F444 V540 F544 F557	L384-F435 HydrophobicContact CD1-CD1 4.1Å; L384-F435 HydrophobicContact CD1-CE1 4.42Å; L388-F435 HydrophobicContact CD2-CE1 4.29Å; L433-F435 HydrophobicContact CB-CD2 4.43Å; L433-F435 HydrophobicContact CB-CE2 3.9Å; L433-F435 HydrophobicContact CB-CZ 3.93Å; L433-F435 HydrophobicContact CD1-CE2 3.9Å; L433-F435 HydrophobicContact CD1-CZ 4.03Å; L433-F435 HydrophobicContact CD2-CZ 4.17Å; L433-F435 HydrophobicContact CG-CE2 4.4Å; L433-F435 HydrophobicContact CG-CZ 4.27Å; L433-F435 PolarHBondContact O-N 3.13Å; L433-F435 VanDerWaalsContact O-N 3.09Å; F435-N437 PolarHBondContact O-N 2.84Å; F435-D438 VanDerWaalsContact CA-OD2 3.26Å; F435-D438 WeakPolarHBondContact CA-OD2 3.43Å; F435-D438 HydrophobicContact CB-CB 4.26Å; F435-D438 WeakPolarHBondContact CB-OD2 3.35Å; F435-D438 WeakPolarHBondContact O-CB 3.33Å; F435-D438 PolarHBondContact O-N 2.93Å; F435-F444 HydrophobicContact CD2-CZ 4.26Å; F435-F444 HydrophobicContact CE2-CE1 4.39Å; F435-F444 HydrophobicContact CE2-CZ 4.3Å; F435-V540 HydrophobicContact CE1-CG1 4.44Å; F435-V540 HydrophobicContact CZ-CG1 3.69Å; F435-F544 HydrophobicContact CD2-CZ 4.37Å; F435-F544 HydrophobicContact CE2-CE1 4.41Å; F435-F544 HydrophobicContact CE2-CE2 4.44Å; F435-F544 AromaticContact CE2-CZ 3.6Å; F435-F544 HydrophobicContact CE2-CZ 3.6Å; F435-F544 HydrophobicContact CZ-CZ 4.03Å; F435-F557 HydrophobicContact CB-CD1 4.23Å; F435-F557 HydrophobicContact CB-CD2 4.47Å; F435-F557 HydrophobicContact CB-CE1 3.6Å; F435-F557 HydrophobicContact CB-CE2 3.89Å; F435-F557 HydrophobicContact CB-CZ 3.42Å; F435-F557 VanDerWaalsContact CB-CZ 3.42Å; F435-F557 HydrophobicContact CD1-CD1 4.03Å; F435-F557 HydrophobicContact CD1-CE1 4.15Å; F435-F557 HydrophobicContact CD1-CG 4.48Å; F435-F557 HydrophobicContact CD2-CD2 4.46Å; F435-F557 HydrophobicContact CG-CD1 4.08Å; F435-F557 HydrophobicContact CG-CD2 4.36Å; F435-F557 AromaticContact CG-CE1 3.98Å; F435-F557 HydrophobicContact CG-CE1 3.98Å; F435-F557 HydrophobicContact CG-CE2 4.26Å; F435-F557 HydrophobicContact CG-CG 4.29Å; F435-F557 HydrophobicContact CG-CZ 4.08Å
436	Y	84.7	Confident	83.5	Confident	33 Å²	33	40.2 Å²	40.2	13%	0.129	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-58	-32	-177.4	179.7	-93.1	0	0	0	113	T430 R431 L433 D438 F444	T430-Y436 HydrophobicContact CG2-CD2 4.36Å; T430-Y436 HydrophobicContact CG2-CE2 4.35Å; T430-Y436 WeakPolarHBondContact O-CD2 3.15Å; R431-Y436 HydrophobicContact CG-CD2 4.47Å; R431-Y436 HydrophobicContact CG-CE1 4.19Å; R431-Y436 HydrophobicContact CG-CE2 3.93Å; L433-Y436 VanDerWaalsContact O-CB 3.31Å; L433-Y436 WeakPolarHBondContact O-CB 3.27Å; L433-Y436 PolarHBondContact O-N 3.44Å; Y436-D438 VanDerWaalsContact C-N 3.34Å; Y436-F444 HydrophobicContact CD2-CD1 4.46Å; Y436-F444 AromaticContact CD2-CD2 3.7Å; Y436-F444 HydrophobicContact CD2-CD2 3.7Å; Y436-F444 HydrophobicContact CD2-CE1 4.44Å; Y436-F444 AromaticContact CD2-CE2 3.66Å; Y436-F444 HydrophobicContact CD2-CE2 3.66Å; Y436-F444 HydrophobicContact CD2-CG 4.11Å; Y436-F444 HydrophobicContact CD2-CZ 4.05Å; Y436-F444 HydrophobicContact CE2-CB 4.22Å; Y436-F444 AromaticContact CE2-CD2 3.59Å; Y436-F444 HydrophobicContact CE2-CD2 3.59Å; Y436-F444 HydrophobicContact CE2-CE2 4.05Å; Y436-F444 AromaticContact CE2-CG 3.9Å; Y436-F444 HydrophobicContact CE2-CG 3.9Å; Y436-F444 HydrophobicContact CG-CE2 4.25Å; Y436-F444 VanDerWaalsContact O-CE2 3.31Å; Y436-F444 WeakPolarHBondContact O-CE2 3.43Å
437	N	84.8	Confident	83.3	Confident	152 Å²	152	39.8 Å²	39.8	81%	0.813	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-83.5	-6.9	178.1	-58.8	-30.6	0	0	0	113.5	F435	F435-N437 PolarHBondContact O-N 2.84Å
438	D	84.5	Confident	83.2	Confident	41 Å²	41	39.4 Å²	39.4	22%	0.219	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-85.8	-10.8	-178.7	-65.2	-49.3	0	0	0	113.2	F435 Y436 Q553 F557	F435-D438 VanDerWaalsContact CA-OD2 3.26Å; F435-D438 WeakPolarHBondContact CA-OD2 3.43Å; F435-D438 HydrophobicContact CB-CB 4.26Å; F435-D438 WeakPolarHBondContact CB-OD2 3.35Å; F435-D438 WeakPolarHBondContact O-CB 3.33Å; F435-D438 PolarHBondContact O-N 2.93Å; Y436-D438 VanDerWaalsContact C-N 3.34Å; D438-Q553 PolarHBondContact O-NE2 3.04Å; D438-F557 HydrophobicContact CB-CE2 3.93Å; D438-F557 HydrophobicContact CB-CZ 3.93Å; D438-F557 WeakPolarHBondContact OD2-CZ 3.18Å
439	L	79.9	Confident	82.7	Confident	8 Å²	8	39.7 Å²	39.7	4%	0.042	21%	0.205	C	C	.	.	S	Bend	trans	-128.7	147.5	179.8	-59.2	174.8	0	0	0	110.4	F444 F544 Q553 M554	L439-F444 HydrophobicContact CB-CD2 4.47Å; L439-F444 HydrophobicContact CB-CE2 3.74Å; L439-F444 HydrophobicContact CB-CZ 4.16Å; L439-F444 HydrophobicContact CD1-CE2 4.38Å; L439-F444 HydrophobicContact CD1-CZ 3.96Å; L439-F444 HydrophobicContact CG-CZ 4.49Å; L439-F544 HydrophobicContact CD1-CE1 4.43Å; L439-F544 HydrophobicContact CD1-CZ 4.41Å; L439-Q553 HydrophobicContact CD2-CB 3.62Å; L439-M554 HydrophobicContact CD1-CB 4.04Å; L439-M554 HydrophobicContact CD1-CG 4.16Å; L439-M554 HydrophobicContact CD2-CB 4.25Å
440	P	80.2	Confident	82.1	Confident	68 Å²	68	43.2 Å²	43.2	44%	0.442	22%	0.222	S	C	.	.			trans	-60.4	142.2	176.9	-21.6	32.1	0	0	0	112.8	E442 V443	P440-E442 VanDerWaalsContact CB-OE2 3.3Å; P440-E442 WeakPolarHBondContact CB-OE2 3.26Å; P440-E442 PolarHBondContact O-N 3.28Å; P440-E442 VanDerWaalsContact O-N 3.14Å; P440-V443 HydrophobicContact CB-CG2 4.23Å; P440-V443 HydrophobicContact CG-CG2 4.28Å; P440-V443 WeakPolarHBondContact O-CB 3.29Å; P440-V443 PolarHBondContact O-N 3.04Å
441	T	77.6	Confident	81.9	Confident	35 Å²	35	43.5 Å²	43.5	22%	0.215	22%	0.223	C	C	.	.	H	α-helix	trans	-52.6	-37.9	179.1	-60.8	0	0	0	0	112.1	Y84 V443 F444 T445	Y84-T441 HydrophobicContact CD2-CG2 3.78Å; Y84-T441 HydrophobicContact CE2-CG2 4.26Å; T441-V443 PolarHBondContact O-N 3.05Å; T441-F444 PolarHBondContact O-N 3.4Å; T441-T445 PolarHBondContact O-N 3.09Å; T441-T445 PolarHBondContact O-OG1 3.4Å
442	E	76.4	Confident	81.9	Confident	115 Å²	115	39.4 Å²	39.4	54%	0.537	21%	0.207	S	C	.	.	H	α-helix	trans	-59.5	-32.1	178.9	-60.4	72.9	-161.1	0	0	112.5	P440 A446	P440-E442 VanDerWaalsContact CB-OE2 3.3Å; P440-E442 WeakPolarHBondContact CB-OE2 3.26Å; P440-E442 PolarHBondContact O-N 3.28Å; P440-E442 VanDerWaalsContact O-N 3.14Å; E442-A446 PolarHBondContact O-N 3.02Å; E442-A446 VanDerWaalsContact O-N 3.07Å
443	V	80.1	Confident	81.9	Confident	23 Å²	23	37.2 Å²	37.2	14%	0.139	20%	0.196	C	C	.	.	H	α-helix	trans	-67.4	-49.2	174.2	-178.3	0	0	0	0	109.2	P440 T441 T445 A446 L447 M554	P440-V443 HydrophobicContact CB-CG2 4.23Å; P440-V443 HydrophobicContact CG-CG2 4.28Å; P440-V443 WeakPolarHBondContact O-CB 3.29Å; P440-V443 PolarHBondContact O-N 3.04Å; T441-V443 PolarHBondContact O-N 3.05Å; V443-T445 VanDerWaalsContact C-N 3.31Å; V443-T445 PolarHBondContact O-N 3.44Å; V443-A446 PolarHBondContact O-N 2.71Å; V443-L447 HydrophobicContact CG1-CD1 3.81Å; V443-L447 HydrophobicContact CG1-CG 4.18Å; V443-L447 WeakPolarHBondContact O-CB 3.3Å; V443-L447 WeakPolarHBondContact O-CG 3.46Å; V443-L447 PolarHBondContact O-N 3.43Å; V443-M554 HydrophobicContact CG1-SD 4.26Å
444	F	81.9	Confident	81.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.9	-36	176.4	-71.5	-68.3	0	0	0	113	T430 L433 F435 Y436 L439 T441 L447 L448 L543 F544	T430-F444 HydrophobicContact CG2-CB 4.03Å; T430-F444 HydrophobicContact CG2-CD1 3.4Å; T430-F444 VanDerWaalsContact CG2-CD1 3.4Å; T430-F444 HydrophobicContact CG2-CE1 4.08Å; T430-F444 HydrophobicContact CG2-CG 3.91Å; L433-F444 HydrophobicContact CD1-CE1 4.07Å; F435-F444 HydrophobicContact CD2-CZ 4.26Å; F435-F444 HydrophobicContact CE2-CE1 4.39Å; F435-F444 HydrophobicContact CE2-CZ 4.3Å; Y436-F444 HydrophobicContact CD2-CD1 4.46Å; Y436-F444 AromaticContact CD2-CD2 3.7Å; Y436-F444 HydrophobicContact CD2-CD2 3.7Å; Y436-F444 HydrophobicContact CD2-CE1 4.44Å; Y436-F444 AromaticContact CD2-CE2 3.66Å; Y436-F444 HydrophobicContact CD2-CE2 3.66Å; Y436-F444 HydrophobicContact CD2-CG 4.11Å; Y436-F444 HydrophobicContact CD2-CZ 4.05Å; Y436-F444 HydrophobicContact CE2-CB 4.22Å; Y436-F444 AromaticContact CE2-CD2 3.59Å; Y436-F444 HydrophobicContact CE2-CD2 3.59Å; Y436-F444 HydrophobicContact CE2-CE2 4.05Å; Y436-F444 AromaticContact CE2-CG 3.9Å; Y436-F444 HydrophobicContact CE2-CG 3.9Å; Y436-F444 HydrophobicContact CG-CE2 4.25Å; Y436-F444 VanDerWaalsContact O-CE2 3.31Å; Y436-F444 WeakPolarHBondContact O-CE2 3.43Å; L439-F444 HydrophobicContact CB-CD2 4.47Å; L439-F444 HydrophobicContact CB-CE2 3.74Å; L439-F444 HydrophobicContact CB-CZ 4.16Å; L439-F444 HydrophobicContact CD1-CE2 4.38Å; L439-F444 HydrophobicContact CD1-CZ 3.96Å; L439-F444 HydrophobicContact CG-CZ 4.49Å; T441-F444 PolarHBondContact O-N 3.4Å; F444-L447 HydrophobicContact CD1-CD1 4.37Å; F444-L447 PolarHBondContact O-N 2.92Å; F444-L448 WeakPolarHBondContact O-CB 3.32Å; F444-L448 PolarHBondContact O-N 2.95Å; F444-L543 HydrophobicContact CD1-CD2 4.48Å; F444-F544 HydrophobicContact CE1-CE1 4.45Å
445	T	75.1	Confident	82.1	Confident	21 Å²	21	36.2 Å²	36.2	13%	0.129	19%	0.189	C	C	.	.	H	α-helix	trans	-56.5	-56.1	170.9	-41.1	0	0	0	0	110.6	Y84 T441 V443 L447 L448 E449	Y84-T445 HydrophobicContact CD2-CG2 4.23Å; Y84-T445 VanDerWaalsContact CD2-OG1 3.3Å; Y84-T445 WeakPolarHBondContact CD2-OG1 3.15Å; Y84-T445 HydrophobicContact CE2-CG2 4.02Å; Y84-T445 WeakPolarHBondContact CE2-OG1 3.38Å; T441-T445 PolarHBondContact O-N 3.09Å; T441-T445 PolarHBondContact O-OG1 3.4Å; V443-T445 VanDerWaalsContact C-N 3.31Å; V443-T445 PolarHBondContact O-N 3.44Å; T445-L447 VanDerWaalsContact C-N 3.32Å; T445-L447 PolarHBondContact O-N 2.75Å; T445-L448 PolarHBondContact O-N 3.23Å; T445-E449 WeakPolarHBondContact O-CG 3.41Å; T445-E449 PolarHBondContact O-N 3.18Å
446	A	76.1	Confident	82.3	Confident	24 Å²	24	36.3 Å²	36.3	20%	0.198	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-34.5	-176.8	0	0	0	0	0	113.1	E442 V443 Q450 M548	E442-A446 PolarHBondContact O-N 3.02Å; E442-A446 VanDerWaalsContact O-N 3.07Å; V443-A446 PolarHBondContact O-N 2.71Å; A446-Q450 WeakPolarHBondContact O-CB 3.46Å; A446-Q450 WeakPolarHBondContact O-CG 3.44Å; A446-Q450 PolarHBondContact O-N 2.92Å; A446-Q450 VanDerWaalsContact O-N 3.16Å; A446-Q450 PolarHBondContact O-NE2 3.44Å; A446-M548 HydrophobicContact CB-CG 4.23Å
447	L	81	Confident	82.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-70.2	-40.2	176.3	-67	170.1	0	0	0	112.2	V443 F444 T445 N451 L543 F544 M554	V443-L447 HydrophobicContact CG1-CD1 3.81Å; V443-L447 HydrophobicContact CG1-CG 4.18Å; V443-L447 WeakPolarHBondContact O-CB 3.3Å; V443-L447 WeakPolarHBondContact O-CG 3.46Å; V443-L447 PolarHBondContact O-N 3.43Å; F444-L447 HydrophobicContact CD1-CD1 4.37Å; F444-L447 PolarHBondContact O-N 2.92Å; T445-L447 VanDerWaalsContact C-N 3.32Å; T445-L447 PolarHBondContact O-N 2.75Å; L447-N451 VanDerWaalsContact O-CB 3.31Å; L447-N451 WeakPolarHBondContact O-CB 3.33Å; L447-N451 PolarHBondContact O-N 2.97Å; L447-N451 PolarHBondContact O-ND2 3.36Å; L447-N451 VanDerWaalsContact O-ND2 3.13Å; L447-L543 HydrophobicContact CB-CD1 3.98Å; L447-L543 HydrophobicContact CB-CG 4.27Å; L447-L543 WeakPolarHBondContact CD2-O 3.21Å; L447-F544 HydrophobicContact CD1-CD1 3.81Å; L447-F544 HydrophobicContact CD1-CE1 4.04Å; L447-M554 HydrophobicContact CD1-SD 3.69Å; L447-M554 HydrophobicContact CD2-CE 4.36Å; L447-M554 HydrophobicContact CD2-SD 3.87Å; L447-M554 HydrophobicContact CG-SD 4.34Å
448	L	82.9	Confident	83.2	Confident	12 Å²	12	27.5 Å²	27.5	6%	0.063	15%	0.145	C	C	.	.	H	α-helix	trans	-68.9	-44.9	174.6	-84.2	172.2	0	0	0	111.3	Y84 L426 T430 F444 T445 Q450 N451 W452 L543	Y84-L448 WeakPolarHBondContact OH-CD1 3.34Å; L426-L448 HydrophobicContact CB-CD2 4.39Å; T430-L448 HydrophobicContact CG2-CD1 4.22Å; T430-L448 WeakPolarHBondContact OG1-CD1 3.4Å; F444-L448 WeakPolarHBondContact O-CB 3.32Å; F444-L448 PolarHBondContact O-N 2.95Å; T445-L448 PolarHBondContact O-N 3.23Å; L448-Q450 PolarHBondContact O-N 3.45Å; L448-N451 PolarHBondContact O-N 3.3Å; L448-W452 VanDerWaalsContact O-CB 3.22Å; L448-W452 WeakPolarHBondContact O-CB 3.39Å; L448-W452 VanDerWaalsContact O-CD1 3.3Å; L448-W452 PolarHBondContact O-N 3.17Å; L448-L543 HydrophobicContact CD2-CD1 4.15Å; L448-L543 HydrophobicContact CG-CD1 4.29Å
449	E	75.5	Confident	83.7	Confident	83 Å²	83	25.6 Å²	25.6	39%	0.388	13%	0.134	S	C	.	.	H	α-helix	trans	-53.5	-40.1	174.6	-76.7	-178.1	-151.1	0	0	112.5	H91 T445	H91-E449 IonicContact CE1-OE1 3.43Å; H91-E449 IonicContact CE1-OE2 3.87Å; H91-E449 PolarHBondContact CE1-OE2 3.28Å; H91-E449 VanDerWaalsContact ND1-CD 3.31Å; H91-E449 IonicContact ND1-OE1 3.67Å; H91-E449 IonicContact ND1-OE2 3.74Å; H91-E449 PolarHBondContact ND1-OE2 3.03Å; H91-E449 VanDerWaalsContact ND1-OE2 3.14Å; T445-E449 WeakPolarHBondContact O-CG 3.41Å; T445-E449 PolarHBondContact O-N 3.18Å
450	Q	76.6	Confident	84.4	Confident	82 Å²	82	25.2 Å²	25.2	38%	0.383	13%	0.132	S	C	.	.	H	α-helix	trans	-78.3	-39.1	178.7	-75.9	165.4	70.2	0	0	113.7	A446 L448	A446-Q450 WeakPolarHBondContact O-CB 3.46Å; A446-Q450 WeakPolarHBondContact O-CG 3.44Å; A446-Q450 PolarHBondContact O-N 2.92Å; A446-Q450 VanDerWaalsContact O-N 3.16Å; A446-Q450 PolarHBondContact O-NE2 3.44Å; L448-Q450 PolarHBondContact O-N 3.45Å
451	N	84.3	Confident	85.1	Confident	6 Å²	6	22 Å²	22	3%	0.032	11%	0.111	C	C	.	.	H	α-helix	trans	-117.8	-4.3	-164.7	-61	-62.7	0	0	0	116.2	L447 L448 P453 Q454 I455 L543 Q545	L447-N451 VanDerWaalsContact O-CB 3.31Å; L447-N451 WeakPolarHBondContact O-CB 3.33Å; L447-N451 PolarHBondContact O-N 2.97Å; L447-N451 PolarHBondContact O-ND2 3.36Å; L447-N451 VanDerWaalsContact O-ND2 3.13Å; L448-N451 PolarHBondContact O-N 3.3Å; N451-P453 VanDerWaalsContact C-N 3.3Å; N451-P453 WeakPolarHBondContact O-CD 3.25Å; N451-P453 VanDerWaalsContact O-N 3.12Å; N451-Q454 WeakPolarHBondContact O-CA 3.29Å; N451-Q454 WeakPolarHBondContact O-CB 3.18Å; N451-Q454 PolarHBondContact O-N 3.04Å; N451-Q454 PolarHBondContact OD1-NE2 2.82Å; N451-I455 PolarHBondContact O-N 3.32Å; N451-L543 PolarHBondContact ND2-O 2.92Å; N451-Q545 PolarHBondContact ND2-O 3.11Å; N451-Q545 PolarHBondContact OD1-O 3.32Å
452	W	87.4	Confident	85.9	Confident	42 Å²	42	20.4 Å²	20.4	16%	0.159	10%	0.101	C	C	.	.	H	α-helix	trans	-49.5	-38.9	-178.4	77.1	-93.8	0	0	0	115	L426 L448 Q454 I455 V456 L596 L601	L426-W452 HydrophobicContact CD1-CB 4.14Å; L426-W452 HydrophobicContact CD1-CE3 4.32Å; L448-W452 VanDerWaalsContact O-CB 3.22Å; L448-W452 WeakPolarHBondContact O-CB 3.39Å; L448-W452 VanDerWaalsContact O-CD1 3.3Å; L448-W452 PolarHBondContact O-N 3.17Å; W452-Q454 VanDerWaalsContact C-N 3.34Å; W452-Q454 PolarHBondContact O-N 2.89Å; W452-I455 PolarHBondContact O-N 2.78Å; W452-V456 HydrophobicContact CE3-CG2 3.91Å; W452-V456 HydrophobicContact CZ3-CG2 4.27Å; W452-V456 VanDerWaalsContact O-CG2 3.32Å; W452-V456 WeakPolarHBondContact O-CG2 3.01Å; W452-V456 PolarHBondContact O-N 2.69Å; W452-L596 HydrophobicContact CZ2-CD2 3.91Å; W452-L601 HydrophobicContact CH2-CB 4.23Å; W452-L601 HydrophobicContact CH2-CD1 4.01Å; W452-L601 HydrophobicContact CH2-CD2 4.17Å; W452-L601 HydrophobicContact CH2-CG 4.36Å; W452-L601 HydrophobicContact CZ2-CD1 4.28Å
453	P	87.6	Confident	86.7	Confident	1 Å²	1	15.6 Å²	15.6	1%	0.006	8%	0.078	C	C	.	.	H	α-helix	trans	-74.5	-28.8	-177.8	6.5	8	0	0	0	111.2	N451 L457 S592 L595 L596	N451-P453 VanDerWaalsContact C-N 3.3Å; N451-P453 WeakPolarHBondContact O-CD 3.25Å; N451-P453 VanDerWaalsContact O-N 3.12Å; P453-L457 VanDerWaalsContact O-CB 3.31Å; P453-L457 WeakPolarHBondContact O-CB 3.36Å; P453-L457 WeakPolarHBondContact O-CD1 3.39Å; P453-L457 WeakPolarHBondContact O-CG 3.34Å; P453-L457 PolarHBondContact O-N 3.09Å; P453-S592 WeakPolarHBondContact CB-OG 3.46Å; P453-L595 HydrophobicContact CB-CD2 3.8Å; P453-L595 HydrophobicContact CB-CG 4.46Å; P453-L596 HydrophobicContact CB-CG 4.42Å; P453-L596 HydrophobicContact CG-CD1 4.03Å; P453-L596 HydrophobicContact CG-CD2 3.83Å; P453-L596 HydrophobicContact CG-CG 3.87Å
454	Q	90.4	Very high	87.4	Confident	14 Å²	14	14.6 Å²	14.6	7%	0.065	7%	0.072	C	C	.	.	H	α-helix	trans	-67.3	-42	170	-58.9	-165.6	80.6	0	0	111.4	N451 W452 L458 T542 L588	N451-Q454 WeakPolarHBondContact O-CA 3.29Å; N451-Q454 WeakPolarHBondContact O-CB 3.18Å; N451-Q454 PolarHBondContact O-N 3.04Å; N451-Q454 PolarHBondContact OD1-NE2 2.82Å; W452-Q454 VanDerWaalsContact C-N 3.34Å; W452-Q454 PolarHBondContact O-N 2.89Å; Q454-L458 WeakPolarHBondContact O-CB 3.49Å; Q454-L458 PolarHBondContact O-N 3.23Å; Q454-T542 HydrophobicContact CB-CG2 3.66Å; Q454-L588 HydrophobicContact CB-CD2 4.14Å; Q454-L588 HydrophobicContact CB-CG 4.26Å
455	I	91.7	Very high	87.9	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.3	-46.6	176.9	-61.3	-58.3	0	0	0	111	L426 W429 N451 W452 L458 S459 K539 T542 L543	L426-I455 HydrophobicContact CD2-CB 4.39Å; L426-I455 HydrophobicContact CD2-CG2 3.91Å; W429-I455 HydrophobicContact CE3-CG2 4.25Å; W429-I455 HydrophobicContact CH2-CD1 4.27Å; W429-I455 HydrophobicContact CH2-CG2 4.31Å; W429-I455 HydrophobicContact CZ3-CG1 4.47Å; W429-I455 HydrophobicContact CZ3-CG2 3.92Å; N451-I455 PolarHBondContact O-N 3.32Å; W452-I455 PolarHBondContact O-N 2.78Å; I455-L458 PolarHBondContact O-N 3.44Å; I455-S459 WeakPolarHBondContact O-CB 3.42Å; I455-S459 PolarHBondContact O-N 3.45Å; I455-K539 HydrophobicContact CD1-CG 4.11Å; I455-K539 WeakPolarHBondContact CD1-O 3.49Å; I455-T542 HydrophobicContact CD1-CG2 4.26Å; I455-L543 HydrophobicContact CD1-CB 3.98Å; I455-L543 HydrophobicContact CG1-CD1 4.42Å
456	V	90.3	Very high	88.7	Confident	3 Å²	3	19.1 Å²	19.1	2%	0.018	9%	0.088	C	C	.	.	H	α-helix	trans	-56.4	-58.6	174.8	166.7	0	0	0	0	110.7	L426 W452 L458 S459 T460 P604 F605	L426-V456 HydrophobicContact CD1-CG2 4.01Å; L426-V456 HydrophobicContact CD2-CG2 4.05Å; L426-V456 HydrophobicContact CG-CG2 4.47Å; W452-V456 HydrophobicContact CE3-CG2 3.91Å; W452-V456 HydrophobicContact CZ3-CG2 4.27Å; W452-V456 VanDerWaalsContact O-CG2 3.32Å; W452-V456 WeakPolarHBondContact O-CG2 3.01Å; W452-V456 PolarHBondContact O-N 2.69Å; V456-L458 VanDerWaalsContact C-N 3.27Å; V456-L458 PolarHBondContact O-N 2.88Å; V456-S459 PolarHBondContact O-N 2.78Å; V456-T460 PolarHBondContact O-N 3.09Å; V456-T460 PolarHBondContact O-OG1 3.38Å; V456-T460 VanDerWaalsContact O-OG1 3.09Å; V456-P604 HydrophobicContact CG1-CB 3.79Å; V456-P604 HydrophobicContact CG1-CG 3.93Å; V456-F605 HydrophobicContact CB-CE2 4.14Å; V456-F605 HydrophobicContact CB-CZ 4.33Å; V456-F605 HydrophobicContact CG1-CD2 4Å; V456-F605 HydrophobicContact CG1-CE2 3.32Å; V456-F605 HydrophobicContact CG1-CZ 3.88Å; V456-F605 HydrophobicContact CG2-CE2 3.64Å; V456-F605 HydrophobicContact CG2-CZ 3.58Å
457	L	93.7	Very high	89.3	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.3	-37.5	-176.3	-72.8	167.3	0	0	0	112	P453 T461 F518 L521 L588 V591 L595 P604	P453-L457 VanDerWaalsContact O-CB 3.31Å; P453-L457 WeakPolarHBondContact O-CB 3.36Å; P453-L457 WeakPolarHBondContact O-CD1 3.39Å; P453-L457 WeakPolarHBondContact O-CG 3.34Å; P453-L457 PolarHBondContact O-N 3.09Å; L457-T461 WeakPolarHBondContact O-CB 3.48Å; L457-T461 PolarHBondContact O-N 2.95Å; L457-T461 PolarHBondContact O-OG1 3.4Å; L457-F518 HydrophobicContact CD2-CD2 3.53Å; L457-F518 HydrophobicContact CD2-CE2 3.69Å; L457-F518 HydrophobicContact CD2-CG 4.39Å; L457-L521 HydrophobicContact CB-CD2 4.26Å; L457-L588 HydrophobicContact CB-CD1 3.56Å; L457-V591 HydrophobicContact CD1-CB 4.14Å; L457-V591 HydrophobicContact CD1-CG1 3.87Å; L457-V591 HydrophobicContact CD2-CG1 3.97Å; L457-L595 HydrophobicContact CD1-CB 4.28Å; L457-L595 HydrophobicContact CD1-CD2 3.91Å; L457-L595 HydrophobicContact CD2-CD2 4.11Å; L457-L595 HydrophobicContact CG-CD2 3.79Å; L457-P604 HydrophobicContact CD2-CB 4.46Å; L457-P604 HydrophobicContact CD2-CG 3.81Å
458	L	94.7	Very high	89.8	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-70	-42.7	178	-179.9	57.4	0	0	0	112.6	Q454 I455 V456 T461 F462 F525 Y535 L538 K539 W584 L588	Q454-L458 WeakPolarHBondContact O-CB 3.49Å; Q454-L458 PolarHBondContact O-N 3.23Å; I455-L458 PolarHBondContact O-N 3.44Å; V456-L458 VanDerWaalsContact C-N 3.27Å; V456-L458 PolarHBondContact O-N 2.88Å; L458-T461 PolarHBondContact O-N 3.23Å; L458-F462 WeakPolarHBondContact O-CB 3.49Å; L458-F462 PolarHBondContact O-N 3.46Å; L458-F525 HydrophobicContact CD1-CD2 4.46Å; L458-F525 HydrophobicContact CD1-CE2 3.82Å; L458-F525 HydrophobicContact CD1-CZ 4.49Å; L458-Y535 HydrophobicContact CG-CD2 4.42Å; L458-Y535 HydrophobicContact CG-CE2 4.26Å; L458-L538 HydrophobicContact CD1-CD2 4.2Å; L458-L538 HydrophobicContact CD2-CG 4.2Å; L458-K539 HydrophobicContact CD2-CB 4.19Å; L458-W584 HydrophobicContact CD1-CH2 4.04Å; L458-W584 HydrophobicContact CD1-CZ3 4.07Å; L458-L588 HydrophobicContact CB-CD1 4.29Å; L458-L588 HydrophobicContact CB-CD2 4.07Å; L458-L588 HydrophobicContact CD2-CD2 4.37Å
459	S	94.7	Very high	90	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68.1	-46.6	176.3	-77.3	0	0	0	0	112.4	I455 V456 T461 F462 Y463 Y535 K539	I455-S459 WeakPolarHBondContact O-CB 3.42Å; I455-S459 PolarHBondContact O-N 3.45Å; V456-S459 PolarHBondContact O-N 2.78Å; S459-T461 VanDerWaalsContact C-N 3.27Å; S459-T461 PolarHBondContact O-N 3.29Å; S459-F462 PolarHBondContact O-N 3.08Å; S459-Y463 WeakPolarHBondContact O-CB 3.42Å; S459-Y463 PolarHBondContact O-N 3.16Å; S459-Y535 PolarHBondContact OG-OH 3.28Å; S459-K539 WeakPolarHBondContact OG-CE 3.25Å; S459-K539 PolarHBondContact OG-NZ 3.08Å; S459-K539 VanDerWaalsContact OG-NZ 3.09Å
460	T	94	Very high	90.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.2	-42.3	173.4	-53.9	0	0	0	0	110.8	V456 Y463 L464 F518 P604	V456-T460 PolarHBondContact O-N 3.09Å; V456-T460 PolarHBondContact O-OG1 3.38Å; V456-T460 VanDerWaalsContact O-OG1 3.09Å; T460-Y463 PolarHBondContact O-N 2.94Å; T460-L464 HydrophobicContact CG2-CD1 4.01Å; T460-L464 WeakPolarHBondContact O-CG 3.5Å; T460-L464 PolarHBondContact O-N 3.28Å; T460-F518 HydrophobicContact CG2-CE1 3.89Å; T460-F518 HydrophobicContact CG2-CZ 3.45Å; T460-F518 VanDerWaalsContact CG2-CZ 3.45Å; T460-P604 HydrophobicContact CG2-CB 3.93Å; T460-P604 WeakPolarHBondContact CG2-O 3.09Å
461	T	94.8	Very high	90.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.6	-47.9	177.2	-68.7	0	0	0	0	112.7	L457 L458 S459 Y463 Y465 F518 V522 F525 W584	L457-T461 WeakPolarHBondContact O-CB 3.48Å; L457-T461 PolarHBondContact O-N 2.95Å; L457-T461 PolarHBondContact O-OG1 3.4Å; L458-T461 PolarHBondContact O-N 3.23Å; S459-T461 VanDerWaalsContact C-N 3.27Å; S459-T461 PolarHBondContact O-N 3.29Å; T461-Y463 VanDerWaalsContact C-N 3.35Å; T461-Y465 WeakPolarHBondContact O-CB 3.27Å; T461-Y465 PolarHBondContact O-N 3.12Å; T461-Y465 VanDerWaalsContact O-N 3.09Å; T461-F518 WeakPolarHBondContact OG1-CE2 3.46Å; T461-V522 HydrophobicContact CG2-CG2 4.24Å; T461-F525 HydrophobicContact CG2-CB 3.33Å; T461-F525 HydrophobicContact CG2-CD1 3.61Å; T461-F525 HydrophobicContact CG2-CD2 3.87Å; T461-F525 HydrophobicContact CG2-CE1 4.35Å; T461-F525 HydrophobicContact CG2-CG 3.32Å; T461-W584 HydrophobicContact CG2-CZ2 4.42Å
462	F	95	Very high	90.6	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.009	14%	0.139	C	C	.	.	H	α-helix	trans	-66.6	-37	180	176.7	-98.3	0	0	0	112	L394 L458 S459 Y465 Y466 F525 R532 Y535	L394-F462 HydrophobicContact CD1-CD1 4.38Å; L394-F462 HydrophobicContact CD2-CD1 3.59Å; L394-F462 HydrophobicContact CD2-CE1 3.8Å; L458-F462 WeakPolarHBondContact O-CB 3.49Å; L458-F462 PolarHBondContact O-N 3.46Å; S459-F462 PolarHBondContact O-N 3.08Å; F462-Y465 AromaticContact CD2-CD1 3.98Å; F462-Y465 HydrophobicContact CD2-CD1 3.98Å; F462-Y465 HydrophobicContact CD2-CE1 4.49Å; F462-Y465 HydrophobicContact CE2-CD1 4.04Å; F462-Y465 HydrophobicContact CE2-CE1 4.16Å; F462-Y465 WeakPolarHBondContact O-CB 3.4Å; F462-Y465 PolarHBondContact O-N 2.7Å; F462-Y466 VanDerWaalsContact O-CB 3.29Å; F462-Y466 WeakPolarHBondContact O-CB 3.38Å; F462-Y466 PolarHBondContact O-N 2.83Å; F462-F525 HydrophobicContact CB-CE1 4.16Å; F462-F525 HydrophobicContact CB-CZ 4.16Å; F462-F525 AromaticContact CD2-CE1 3.85Å; F462-F525 HydrophobicContact CD2-CE1 3.85Å; F462-F525 AromaticContact CD2-CZ 3.93Å; F462-F525 HydrophobicContact CD2-CZ 3.93Å; F462-R532 HydrophobicContact CE1-CB 4.47Å; F462-R532 HydrophobicContact CE1-CG 4.21Å; F462-R532 HydrophobicContact CZ-CB 3.91Å; F462-R532 HydrophobicContact CZ-CG 4.15Å; F462-Y535 HydrophobicContact CB-CD1 4.48Å; F462-Y535 HydrophobicContact CB-CD2 3.37Å; F462-Y535 HydrophobicContact CB-CE2 3.5Å; F462-Y535 VanDerWaalsContact CB-CE2 3.5Å; F462-Y535 HydrophobicContact CB-CG 3.91Å; F462-Y535 AromaticContact CD1-CD1 3.44Å; F462-Y535 HydrophobicContact CD1-CD1 3.44Å; F462-Y535 VanDerWaalsContact CD1-CD1 3.44Å; F462-Y535 AromaticContact CD1-CD2 3.92Å; F462-Y535 HydrophobicContact CD1-CD2 3.92Å; F462-Y535 AromaticContact CD1-CE1 3.57Å; F462-Y535 HydrophobicContact CD1-CE1 3.57Å; F462-Y535 HydrophobicContact CD1-CE2 4.03Å; F462-Y535 AromaticContact CD1-CG 3.63Å; F462-Y535 HydrophobicContact CD1-CG 3.63Å; F462-Y535 AromaticContact CD1-CZ 3.87Å; F462-Y535 VanDerWaalsContact CD2-CB 3.45Å; F462-Y535 HydrophobicContact CD2-CD1 4.07Å; F462-Y535 AromaticContact CD2-CD2 3.83Å; F462-Y535 HydrophobicContact CD2-CD2 3.83Å; F462-Y535 AromaticContact CD2-CG 3.49Å; F462-Y535 HydrophobicContact CD2-CG 3.49Å; F462-Y535 VanDerWaalsContact CD2-CG 3.49Å; F462-Y535 AromaticContact CE1-CD1 3.59Å; F462-Y535 HydrophobicContact CE1-CD1 3.59Å; F462-Y535 AromaticContact CE1-CE1 3.95Å; F462-Y535 HydrophobicContact CE1-CE1 3.95Å; F462-Y535 HydrophobicContact CE1-CG 4.04Å; F462-Y535 HydrophobicContact CE2-CD1 4.2Å; F462-Y535 AromaticContact CE2-CG 3.91Å; F462-Y535 HydrophobicContact CE2-CG 3.91Å; F462-Y535 AromaticContact CG-CD1 3.72Å; F462-Y535 HydrophobicContact CG-CD1 3.72Å; F462-Y535 AromaticContact CG-CD2 3.4Å; F462-Y535 HydrophobicContact CG-CD2 3.4Å; F462-Y535 VanDerWaalsContact CG-CD2 3.4Å; F462-Y535 HydrophobicContact CG-CE1 4.1Å; F462-Y535 AromaticContact CG-CE2 3.81Å; F462-Y535 HydrophobicContact CG-CE2 3.81Å; F462-Y535 AromaticContact CG-CG 3.35Å; F462-Y535 HydrophobicContact CG-CG 3.35Å; F462-Y535 AromaticContact CZ-CD1 3.98Å; F462-Y535 HydrophobicContact CZ-CD1 3.98Å; F462-Y535 HydrophobicContact CZ-CG 4.17Å
463	Y	93.8	Very high	90.2	Very high	14 Å²	14	32.4 Å²	32.4	6%	0.055	17%	0.169	C	C	.	.	H	α-helix	trans	-66	-45.8	176.2	169.8	-94.2	0	0	0	113.4	L394 E395 I398 S459 T460 T461 Y465 Y466 R467 S608	L394-Y463 HydrophobicContact CD2-CD2 4.34Å; L394-Y463 HydrophobicContact CG-CD2 4.45Å; E395-Y463 HydrophobicContact CG-CD2 4.47Å; E395-Y463 HydrophobicContact CG-CE2 4.21Å; I398-Y463 HydrophobicContact CD1-CD1 3.91Å; I398-Y463 HydrophobicContact CD1-CD2 3.53Å; I398-Y463 HydrophobicContact CD1-CE2 4.25Å; I398-Y463 HydrophobicContact CD1-CG 3.29Å; I398-Y463 HydrophobicContact CG1-CD2 4.43Å; I398-Y463 HydrophobicContact CG1-CG 4.35Å; S459-Y463 WeakPolarHBondContact O-CB 3.42Å; S459-Y463 PolarHBondContact O-N 3.16Å; T460-Y463 PolarHBondContact O-N 2.94Å; T461-Y463 VanDerWaalsContact C-N 3.35Å; Y463-Y465 VanDerWaalsContact C-N 3.27Å; Y463-Y465 PolarHBondContact O-N 3.1Å; Y463-Y466 PolarHBondContact O-N 2.79Å; Y463-Y466 VanDerWaalsContact O-N 3.1Å; Y463-R467 HydrophobicContact CD2-CG 4.47Å; Y463-R467 HydrophobicContact CE1-CG 4.24Å; Y463-R467 HydrophobicContact CE2-CG 4.16Å; Y463-R467 PolarHBondContact O-N 3.45Å; Y463-R467 VanDerWaalsContact OH-CD 3.25Å; Y463-R467 WeakPolarHBondContact OH-CD 3.42Å; Y463-R467 PolarHBondContact OH-NH1 3.23Å; Y463-S608 WeakPolarHBondContact CE1-O 3.22Å; Y463-S608 PolarHBondContact OH-O 3.15Å
464	L	93.4	Very high	89.7	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-62	-39	176.3	-69.2	170	0	0	0	110.9	T460 S468 W478 F518 V522	T460-L464 HydrophobicContact CG2-CD1 4.01Å; T460-L464 WeakPolarHBondContact O-CG 3.5Å; T460-L464 PolarHBondContact O-N 3.28Å; L464-S468 PolarHBondContact O-N 3Å; L464-W478 HydrophobicContact CD1-CD2 3.85Å; L464-W478 HydrophobicContact CD1-CE3 4.23Å; L464-W478 HydrophobicContact CD1-CG 4.22Å; L464-W478 HydrophobicContact CD1-CH2 4.49Å; L464-W478 HydrophobicContact CD1-CZ2 4.1Å; L464-W478 HydrophobicContact CD2-CB 3.93Å; L464-W478 HydrophobicContact CD2-CD2 4.22Å; L464-W478 HydrophobicContact CD2-CG 3.88Å; L464-W478 HydrophobicContact CG-CG 4.46Å; L464-F518 HydrophobicContact CD1-CE1 3.91Å; L464-F518 HydrophobicContact CD1-CZ 4.08Å; L464-V522 HydrophobicContact CB-CG1 4.01Å; L464-V522 HydrophobicContact CD1-CG1 4.42Å; L464-V522 HydrophobicContact CD1-CG2 4.13Å
465	Y	92.8	Very high	89.2	Confident	22 Å²	22	39 Å²	39	9%	0.086	22%	0.222	C	C	.	.	H	α-helix	trans	-60.6	-48.5	169.4	162.7	-108.1	0	0	0	112.4	T461 F462 Y463 S468 Q469 F525 R526 K529 L530	T461-Y465 WeakPolarHBondContact O-CB 3.27Å; T461-Y465 PolarHBondContact O-N 3.12Å; T461-Y465 VanDerWaalsContact O-N 3.09Å; F462-Y465 AromaticContact CD2-CD1 3.98Å; F462-Y465 HydrophobicContact CD2-CD1 3.98Å; F462-Y465 HydrophobicContact CD2-CE1 4.49Å; F462-Y465 HydrophobicContact CE2-CD1 4.04Å; F462-Y465 HydrophobicContact CE2-CE1 4.16Å; F462-Y465 WeakPolarHBondContact O-CB 3.4Å; F462-Y465 PolarHBondContact O-N 2.7Å; Y463-Y465 VanDerWaalsContact C-N 3.27Å; Y463-Y465 PolarHBondContact O-N 3.1Å; Y465-S468 PolarHBondContact O-N 3.27Å; Y465-S468 PolarHBondContact O-OG 3.13Å; Y465-Q469 HydrophobicContact CE2-CG 4.05Å; Y465-Q469 PolarHBondContact O-N 3Å; Y465-F525 HydrophobicContact CD1-CE1 4.03Å; Y465-F525 HydrophobicContact CG-CD1 4.32Å; Y465-F525 HydrophobicContact CG-CE1 4.28Å; Y465-R526 HydrophobicContact CD2-CB 4.06Å; Y465-R526 HydrophobicContact CD2-CG 3.88Å; Y465-R526 HydrophobicContact CE2-CG 4.28Å; Y465-K529 WeakPolarHBondContact OH-CA 3.41Å; Y465-L530 WeakPolarHBondContact CE1-O 3.48Å
466	Y	91.1	Very high	88.7	Confident	94 Å²	94	40 Å²	40	37%	0.369	23%	0.227	S	C	.	.	H	α-helix	trans	-61.7	-48.6	-177.8	179.6	-106.5	0	0	0	112.1	F462 Y463 S468 Q469 T470	F462-Y466 VanDerWaalsContact O-CB 3.29Å; F462-Y466 WeakPolarHBondContact O-CB 3.38Å; F462-Y466 PolarHBondContact O-N 2.83Å; Y463-Y466 PolarHBondContact O-N 2.79Å; Y463-Y466 VanDerWaalsContact O-N 3.1Å; Y466-S468 VanDerWaalsContact C-N 3.26Å; Y466-S468 PolarHBondContact O-N 2.81Å; Y466-Q469 WeakPolarHBondContact O-CA 3.43Å; Y466-Q469 WeakPolarHBondContact O-CB 3.31Å; Y466-Q469 PolarHBondContact O-N 3.08Å; Y466-T470 HydrophobicContact CD2-CG2 4.48Å; Y466-T470 HydrophobicContact CE1-CG2 4.1Å; Y466-T470 HydrophobicContact CE2-CG2 4.01Å; Y466-T470 PolarHBondContact O-N 3.3Å; Y466-T470 PolarHBondContact O-OG1 2.85Å
467	R	90.4	Very high	88.5	Confident	18 Å²	18	41.8 Å²	41.8	7%	0.068	24%	0.237	C	C	.	.	H	α-helix	trans	-55.8	-40.8	173.8	-72.7	-173.2	58.7	-167.8	-5.4	111.9	Y463 Q469 T470 E471 S475 L476	Y463-R467 HydrophobicContact CD2-CG 4.47Å; Y463-R467 HydrophobicContact CE1-CG 4.24Å; Y463-R467 HydrophobicContact CE2-CG 4.16Å; Y463-R467 PolarHBondContact O-N 3.45Å; Y463-R467 VanDerWaalsContact OH-CD 3.25Å; Y463-R467 WeakPolarHBondContact OH-CD 3.42Å; Y463-R467 PolarHBondContact OH-NH1 3.23Å; R467-Q469 PolarHBondContact O-N 3.36Å; R467-T470 PolarHBondContact O-N 3.29Å; R467-T470 PolarHBondContact O-OG1 3.05Å; R467-E471 WeakPolarHBondContact CD-OE1 3.33Å; R467-E471 VanDerWaalsContact CG-OE1 3.27Å; R467-E471 WeakPolarHBondContact CG-OE1 3.45Å; R467-E471 IonicContact CZ-OE1 3.27Å; R467-E471 IonicContact CZ-OE2 3.29Å; R467-E471 VanDerWaalsContact CZ-OE2 3.25Å; R467-E471 IonicContact NE-OE1 2.78Å; R467-E471 PolarHBondContact NE-OE1 3.1Å; R467-E471 IonicContact NE-OE2 3.8Å; R467-E471 PolarHBondContact NE-OE2 3.37Å; R467-E471 IonicContact NH2-OE1 2.76Å; R467-E471 IonicContact NH2-OE2 2.6Å; R467-E471 PolarHBondContact NH2-OE2 3.28Å; R467-E471 WeakPolarHBondContact O-CB 3.47Å; R467-E471 PolarHBondContact O-N 2.86Å; R467-S475 PolarHBondContact NH2-O 3.1Å; R467-L476 HydrophobicContact CB-CD1 3.82Å
468	S	90	Very high	88.3	Confident	30 Å²	30	42.2 Å²	42.2	21%	0.21	24%	0.238	C	C	.	.	H	α-helix	trans	-69	0.5	175.1	82.2	0	0	0	0	115.7	L464 Y465 Y466 F480	L464-S468 PolarHBondContact O-N 3Å; Y465-S468 PolarHBondContact O-N 3.27Å; Y465-S468 PolarHBondContact O-OG 3.13Å; Y466-S468 VanDerWaalsContact C-N 3.26Å; Y466-S468 PolarHBondContact O-N 2.81Å; S468-F480 VanDerWaalsContact CB-CZ 3.47Å; S468-F480 WeakPolarHBondContact OG-CZ 3.5Å
469	Q	87.1	Confident	88.2	Confident	112 Å²	112	43.7 Å²	43.7	52%	0.523	25%	0.249	S	C	.	.	H	α-helix	trans	-106.8	-21.4	167.6	-52.6	-52.9	-78.8	0	0	112.8	Y465 Y466 R467	Y465-Q469 HydrophobicContact CE2-CG 4.05Å; Y465-Q469 PolarHBondContact O-N 3Å; Y466-Q469 WeakPolarHBondContact O-CA 3.43Å; Y466-Q469 WeakPolarHBondContact O-CB 3.31Å; Y466-Q469 PolarHBondContact O-N 3.08Å; R467-Q469 PolarHBondContact O-N 3.36Å
470	T	85.4	Confident	88.1	Confident	80 Å²	80	44.8 Å²	44.8	49%	0.491	25%	0.254	S	S	.	.	H	α-helix	trans	-109.3	-21.4	-172.6	57.2	0	0	0	0	114.5	Y466 R467	Y466-T470 HydrophobicContact CD2-CG2 4.48Å; Y466-T470 HydrophobicContact CE1-CG2 4.1Å; Y466-T470 HydrophobicContact CE2-CG2 4.01Å; Y466-T470 PolarHBondContact O-N 3.3Å; Y466-T470 PolarHBondContact O-OG1 2.85Å; R467-T470 PolarHBondContact O-N 3.29Å; R467-T470 PolarHBondContact O-OG1 3.05Å
471	E	84.3	Confident	87.9	Confident	67 Å²	67	49.2 Å²	49.2	31%	0.313	29%	0.29	S	S	.	.	S	Bend	trans	-113.3	161.2	-175.7	-69.3	172.3	-149.1	0	0	112	R467	R467-E471 WeakPolarHBondContact CD-OE1 3.33Å; R467-E471 VanDerWaalsContact CG-OE1 3.27Å; R467-E471 WeakPolarHBondContact CG-OE1 3.45Å; R467-E471 IonicContact CZ-OE1 3.27Å; R467-E471 IonicContact CZ-OE2 3.29Å; R467-E471 VanDerWaalsContact CZ-OE2 3.25Å; R467-E471 IonicContact NE-OE1 2.78Å; R467-E471 PolarHBondContact NE-OE1 3.1Å; R467-E471 IonicContact NE-OE2 3.8Å; R467-E471 PolarHBondContact NE-OE2 3.37Å; R467-E471 IonicContact NH2-OE1 2.76Å; R467-E471 IonicContact NH2-OE2 2.6Å; R467-E471 PolarHBondContact NH2-OE2 3.28Å; R467-E471 WeakPolarHBondContact O-CB 3.47Å; R467-E471 PolarHBondContact O-N 2.86Å
472	D	80.8	Confident	87.8	Confident	102 Å²	102	52 Å²	52	55%	0.545	31%	0.305	S	S	.	.			trans	-62.7	132.6	169.4	-169.8	-33.6	0	0	0	109.4	A474 S475	D472-A474 PolarHBondContact O-N 3.38Å; D472-A474 WeakPolarHBondContact OD1-CB 3.32Å; D472-A474 PolarHBondContact OD1-N 2.93Å; D472-S475 PolarHBondContact O-N 3.36Å; D472-S475 PolarHBondContact O-OG 2.95Å; D472-S475 VanDerWaalsContact O-OG 3.09Å
473	P	78.3	Confident	87.8	Confident	120 Å²	120	54.8 Å²	54.8	78%	0.779	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	-24.4	168.2	-30.2	36.7	0	0	0	115.2
474	A	76.1	Confident	87.8	Confident	92 Å²	92	58.7 Å²	58.7	76%	0.76	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-22.4	175.4	0	0	0	0	0	114.7	D472	D472-A474 PolarHBondContact O-N 3.38Å; D472-A474 WeakPolarHBondContact OD1-CB 3.32Å; D472-A474 PolarHBondContact OD1-N 2.93Å
475	S	80	Confident	87.9	Confident	62 Å²	62	61.8 Å²	61.8	43%	0.434	35%	0.347	S	S	.	.	S	Bend	trans	-95.9	4.4	177.6	65.6	0	0	0	0	113.8	R467 D472	R467-S475 PolarHBondContact NH2-O 3.1Å; D472-S475 PolarHBondContact O-N 3.36Å; D472-S475 PolarHBondContact O-OG 2.95Å; D472-S475 VanDerWaalsContact O-OG 3.09Å
476	L	82.4	Confident	88	Confident	19 Å²	19	60.8 Å²	60.8	10%	0.099	34%	0.343	C	S	.	.			trans	-99.1	107.7	-178.2	-173.1	68.8	0	0	0	111	R467 W478 F480	R467-L476 HydrophobicContact CB-CD1 3.82Å; L476-W478 HydrophobicContact CD1-CB 4.37Å; L476-W478 HydrophobicContact CD2-CB 4.37Å; L476-W478 HydrophobicContact CG-CB 4.02Å; L476-W478 PolarHBondContact O-N 2.93Å; L476-F480 HydrophobicContact CD2-CE2 3.69Å; L476-F480 HydrophobicContact CD2-CZ 4.38Å
477	D	85.3	Confident	88.1	Confident	42 Å²	42	56.3 Å²	56.3	23%	0.225	33%	0.325	C	S	.	.			trans	-67.8	33.1	172.9	-66.4	-29	0	0	0	113.8	V489 R493 E611	D477-V489 HydrophobicContact CB-CG1 4.2Å; D477-R493 IonicContact OD2-CZ 2.65Å; D477-R493 IonicContact OD2-NH2 3.21Å; D477-R493 PolarHBondContact OD2-NH2 3.47Å; D477-E611 WeakPolarHBondContact OD2-CG 3.4Å
478	W	89.9	Confident	88.2	Confident	8 Å²	8	61.1 Å²	61.1	3%	0.03	34%	0.344	C	S	.	.			trans	-146	123.9	-176.1	-177.4	-100.6	0	0	0	113.1	L464 L476 F480 N486 F518 V522 L607	L464-W478 HydrophobicContact CD1-CD2 3.85Å; L464-W478 HydrophobicContact CD1-CE3 4.23Å; L464-W478 HydrophobicContact CD1-CG 4.22Å; L464-W478 HydrophobicContact CD1-CH2 4.49Å; L464-W478 HydrophobicContact CD1-CZ2 4.1Å; L464-W478 HydrophobicContact CD2-CB 3.93Å; L464-W478 HydrophobicContact CD2-CD2 4.22Å; L464-W478 HydrophobicContact CD2-CG 3.88Å; L464-W478 HydrophobicContact CG-CG 4.46Å; L476-W478 HydrophobicContact CD1-CB 4.37Å; L476-W478 HydrophobicContact CD2-CB 4.37Å; L476-W478 HydrophobicContact CG-CB 4.02Å; L476-W478 PolarHBondContact O-N 2.93Å; W478-F480 AromaticContact CD1-CE2 3.95Å; W478-F480 AromaticContact CD1-CZ 3.96Å; W478-N486 HydrophobicContact CE3-CB 3.99Å; W478-N486 VanDerWaalsContact CE3-CG 3.42Å; W478-N486 HydrophobicContact CH2-CB 4.12Å; W478-N486 WeakPolarHBondContact CH2-ND2 3.41Å; W478-N486 HydrophobicContact CZ3-CB 3.55Å; W478-N486 WeakPolarHBondContact CZ3-ND2 3.43Å; W478-F518 AromaticContact CH2-CD1 3.58Å; W478-F518 HydrophobicContact CH2-CD1 3.58Å; W478-F518 AromaticContact CH2-CE1 3.85Å; W478-F518 HydrophobicContact CH2-CE1 3.85Å; W478-F518 HydrophobicContact CZ2-CD1 4.17Å; W478-F518 HydrophobicContact CZ2-CE1 4.23Å; W478-F518 HydrophobicContact CZ3-CD1 4.38Å; W478-F518 HydrophobicContact CZ3-CE1 4.46Å; W478-V522 HydrophobicContact CZ2-CB 4.06Å; W478-V522 HydrophobicContact CZ2-CG1 4.36Å; W478-V522 HydrophobicContact CZ2-CG2 3.91Å; W478-L607 HydrophobicContact CE3-CB 4.36Å; W478-L607 HydrophobicContact CE3-CD2 4.28Å; W478-L607 HydrophobicContact CH2-CD1 4.23Å; W478-L607 HydrophobicContact CZ3-CB 4.02Å; W478-L607 HydrophobicContact CZ3-CD1 3.73Å; W478-L607 HydrophobicContact CZ3-CD2 3.82Å; W478-L607 HydrophobicContact CZ3-CG 4.05Å
479	S	92.3	Very high	88.3	Confident	31 Å²	31	60.5 Å²	60.5	22%	0.217	34%	0.338	C	S	.	.			trans	-96.5	126.8	173.6	-173.9	0	0	0	0	111.6	A481 D482 N486	S479-A481 PolarHBondContact O-N 2.61Å; S479-A481 PolarHBondContact OG-N 3.26Å; S479-D482 PolarHBondContact OG-N 3.05Å; S479-N486 PolarHBondContact N-OD1 2.8Å; S479-N486 PolarHBondContact O-ND2 2.65Å
480	F	91.8	Very high	88.4	Confident	24 Å²	24	55.1 Å²	55.1	11%	0.105	31%	0.313	C	S	.	.	S	Bend	trans	-78.1	4.2	172.3	-65.6	-91.9	0	0	0	113.7	S468 L476 W478 V522 E523 R526	S468-F480 VanDerWaalsContact CB-CZ 3.47Å; S468-F480 WeakPolarHBondContact OG-CZ 3.5Å; L476-F480 HydrophobicContact CD2-CE2 3.69Å; L476-F480 HydrophobicContact CD2-CZ 4.38Å; W478-F480 AromaticContact CD1-CE2 3.95Å; W478-F480 AromaticContact CD1-CZ 3.96Å; F480-V522 HydrophobicContact CD1-CG1 3.9Å; F480-V522 HydrophobicContact CE1-CG1 3.54Å; F480-V522 HydrophobicContact CZ-CG1 4.5Å; F480-E523 HydrophobicContact CB-CB 4.39Å; F480-E523 WeakPolarHBondContact O-CB 3.43Å; F480-R526 HydrophobicContact CD1-CB 4.33Å; F480-R526 HydrophobicContact CE1-CB 4.2Å; F480-R526 HydrophobicContact CE1-CG 4.45Å
481	A	91	Very high	88.6	Confident	93 Å²	93	51.7 Å²	51.7	77%	0.769	29%	0.293	S	S	*	.	S	Bend	trans	-140.7	-30.3	-175	0	0	0	0	0	114.5	S479	S479-A481 PolarHBondContact O-N 2.61Å; S479-A481 PolarHBondContact OG-N 3.26Å
482	D	93.2	Very high	88.8	Confident	58 Å²	58	53.2 Å²	53.2	31%	0.31	30%	0.298	S	S	.	.			trans	-106	99.1	179.8	-179	13.8	0	0	0	111.1	S479 K484 F485 N486 R488	S479-D482 PolarHBondContact OG-N 3.05Å; D482-K484 PolarHBondContact O-N 3.11Å; D482-K484 WeakPolarHBondContact OD1-CA 3.48Å; D482-K484 VanDerWaalsContact OD1-CB 3.29Å; D482-K484 WeakPolarHBondContact OD1-CB 3.13Å; D482-K484 PolarHBondContact OD1-N 3.49Å; D482-F485 HydrophobicContact CB-CB 3.99Å; D482-F485 VanDerWaalsContact CG-N 3.27Å; D482-F485 WeakPolarHBondContact O-CB 3.47Å; D482-F485 PolarHBondContact O-N 3.47Å; D482-F485 PolarHBondContact OD1-N 3.27Å; D482-F485 VanDerWaalsContact OD2-CB 3.3Å; D482-F485 WeakPolarHBondContact OD2-CB 3.3Å; D482-F485 PolarHBondContact OD2-N 3.36Å; D482-F485 VanDerWaalsContact OD2-N 3.12Å; D482-N486 PolarHBondContact O-N 2.78Å; D482-R488 IonicContact OD2-NH2 3.25Å; D482-R488 PolarHBondContact OD2-NH2 2.97Å
483	Y	94.2	Very high	89	Confident	61 Å²	61	49.1 Å²	49.1	24%	0.239	28%	0.275	C	S	.	.	H	α-helix	trans	-66.1	-21.8	174.9	85.7	-88.6	0	0	0	112.9	N486 L487 E508 K516	Y483-N486 PolarHBondContact O-N 3.49Å; Y483-L487 WeakPolarHBondContact O-CB 3.31Å; Y483-L487 PolarHBondContact O-N 3.27Å; Y483-E508 PolarHBondContact OH-OE1 2.84Å; Y483-K516 HydrophobicContact CD1-CG 4.28Å; Y483-K516 HydrophobicContact CD2-CB 3.91Å; Y483-K516 HydrophobicContact CD2-CG 4.46Å; Y483-K516 HydrophobicContact CE2-CB 4.47Å; Y483-K516 HydrophobicContact CG-CB 3.98Å; Y483-K516 HydrophobicContact CG-CG 4.16Å
484	K	94.9	Very high	89	Confident	95 Å²	95	43.7 Å²	43.7	41%	0.413	24%	0.239	S	C	.	.	H	α-helix	trans	-77.9	-27.7	176.3	-61.4	-164.3	167.7	-143	0	112.1	D482 R488	D482-K484 PolarHBondContact O-N 3.11Å; D482-K484 WeakPolarHBondContact OD1-CA 3.48Å; D482-K484 VanDerWaalsContact OD1-CB 3.29Å; D482-K484 WeakPolarHBondContact OD1-CB 3.13Å; D482-K484 PolarHBondContact OD1-N 3.49Å; K484-R488 WeakPolarHBondContact O-CG 3.43Å; K484-R488 PolarHBondContact O-N 2.96Å; K484-R488 VanDerWaalsContact O-N 3.1Å; K484-R488 PolarHBondContact O-NE 3.4Å
485	F	94.3	Very high	89.3	Confident	68 Å²	68	40 Å²	40	30%	0.298	21%	0.208	S	C	.	.	H	α-helix	trans	-62.9	-49.4	164.6	179.5	-90.8	0	0	0	110.3	D482 L487 R488 V489	D482-F485 HydrophobicContact CB-CB 3.99Å; D482-F485 VanDerWaalsContact CG-N 3.27Å; D482-F485 WeakPolarHBondContact O-CB 3.47Å; D482-F485 PolarHBondContact O-N 3.47Å; D482-F485 PolarHBondContact OD1-N 3.27Å; D482-F485 VanDerWaalsContact OD2-CB 3.3Å; D482-F485 WeakPolarHBondContact OD2-CB 3.3Å; D482-F485 PolarHBondContact OD2-N 3.36Å; D482-F485 VanDerWaalsContact OD2-N 3.12Å; F485-L487 VanDerWaalsContact C-N 3.27Å; F485-L487 PolarHBondContact O-N 3.41Å; F485-R488 WeakPolarHBondContact O-CB 3.41Å; F485-R488 PolarHBondContact O-N 2.69Å; F485-R488 VanDerWaalsContact O-N 3.12Å; F485-V489 HydrophobicContact CD1-CG2 4.1Å; F485-V489 HydrophobicContact CE1-CG2 3.69Å; F485-V489 HydrophobicContact CZ-CG2 4.01Å; F485-V489 WeakPolarHBondContact O-CG2 3.13Å; F485-V489 PolarHBondContact O-N 3.05Å
486	N	94.3	Very high	89.2	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.9	-35.2	179	-61.2	-18.5	0	0	0	112.3	W478 S479 D482 Y483 V489 L490 V515 T519 L607	W478-N486 HydrophobicContact CE3-CB 3.99Å; W478-N486 VanDerWaalsContact CE3-CG 3.42Å; W478-N486 HydrophobicContact CH2-CB 4.12Å; W478-N486 WeakPolarHBondContact CH2-ND2 3.41Å; W478-N486 HydrophobicContact CZ3-CB 3.55Å; W478-N486 WeakPolarHBondContact CZ3-ND2 3.43Å; S479-N486 PolarHBondContact N-OD1 2.8Å; S479-N486 PolarHBondContact O-ND2 2.65Å; D482-N486 PolarHBondContact O-N 2.78Å; Y483-N486 PolarHBondContact O-N 3.49Å; N486-V489 PolarHBondContact O-N 3Å; N486-L490 PolarHBondContact O-N 2.97Å; N486-V515 HydrophobicContact CB-CG1 3.68Å; N486-T519 WeakPolarHBondContact ND2-CG2 3.16Å; N486-T519 PolarHBondContact ND2-OG1 3.45Å; N486-L607 WeakPolarHBondContact O-CD2 3.31Å
487	L	93.1	Very high	88.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66	-42.5	174.4	-170.6	71.9	0	0	0	112.3	Y483 F485 L490 S491 E504 V507 E508 V515	Y483-L487 WeakPolarHBondContact O-CB 3.31Å; Y483-L487 PolarHBondContact O-N 3.27Å; F485-L487 VanDerWaalsContact C-N 3.27Å; F485-L487 PolarHBondContact O-N 3.41Å; L487-L490 WeakPolarHBondContact O-CB 3.48Å; L487-L490 PolarHBondContact O-N 3.31Å; L487-S491 WeakPolarHBondContact O-CB 3.14Å; L487-S491 PolarHBondContact O-N 3.16Å; L487-E504 HydrophobicContact CD2-CG 4.15Å; L487-E504 HydrophobicContact CG-CG 4.33Å; L487-V507 HydrophobicContact CD1-CB 4.46Å; L487-V507 HydrophobicContact CD1-CG1 3.86Å; L487-E508 HydrophobicContact CD2-CB 3.7Å; L487-E508 HydrophobicContact CD2-CG 3.7Å; L487-V515 HydrophobicContact CB-CG1 4.4Å; L487-V515 HydrophobicContact CD1-CB 4.46Å; L487-V515 HydrophobicContact CD1-CG2 4.17Å
488	R	93.5	Very high	87.7	Confident	120 Å²	120	40.2 Å²	40.2	45%	0.453	21%	0.207	S	C	.	.	H	α-helix	trans	-62.3	-42.3	173.5	-76.6	174.9	-69.7	154.3	-3.8	112.2	D482 K484 F485 S491 K492 E504	D482-R488 IonicContact OD2-NH2 3.25Å; D482-R488 PolarHBondContact OD2-NH2 2.97Å; K484-R488 WeakPolarHBondContact O-CG 3.43Å; K484-R488 PolarHBondContact O-N 2.96Å; K484-R488 VanDerWaalsContact O-N 3.1Å; K484-R488 PolarHBondContact O-NE 3.4Å; F485-R488 WeakPolarHBondContact O-CB 3.41Å; F485-R488 PolarHBondContact O-N 2.69Å; F485-R488 VanDerWaalsContact O-N 3.12Å; R488-S491 PolarHBondContact O-N 3.05Å; R488-K492 WeakPolarHBondContact O-CB 3.38Å; R488-K492 PolarHBondContact O-N 2.88Å; R488-E504 VanDerWaalsContact CG-CD 3.44Å; R488-E504 VanDerWaalsContact CG-OE1 3.26Å; R488-E504 WeakPolarHBondContact CG-OE1 3.13Å; R488-E504 VanDerWaalsContact CG-OE2 3.24Å; R488-E504 WeakPolarHBondContact CG-OE2 3.46Å
489	V	91.7	Very high	86.8	Confident	16 Å²	16	42.9 Å²	42.9	10%	0.097	24%	0.236	C	C	.	.	H	α-helix	trans	-60.4	-45.2	174.1	172.5	0	0	0	0	110.8	D477 F485 N486 K492 R493	D477-V489 HydrophobicContact CB-CG1 4.2Å; F485-V489 HydrophobicContact CD1-CG2 4.1Å; F485-V489 HydrophobicContact CE1-CG2 3.69Å; F485-V489 HydrophobicContact CZ-CG2 4.01Å; F485-V489 WeakPolarHBondContact O-CG2 3.13Å; F485-V489 PolarHBondContact O-N 3.05Å; N486-V489 PolarHBondContact O-N 3Å; V489-K492 PolarHBondContact O-N 3.2Å; V489-R493 WeakPolarHBondContact O-CB 3.45Å; V489-R493 VanDerWaalsContact O-CG 3.3Å; V489-R493 WeakPolarHBondContact O-CG 3.31Å; V489-R493 PolarHBondContact O-N 2.85Å
490	L	89.6	Confident	85.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-47.8	174.3	179	64.3	0	0	0	111.9	N486 L487 K492 R493 I494 V507 A511 V515 M600 V603 M606 L607	N486-L490 PolarHBondContact O-N 2.97Å; L487-L490 WeakPolarHBondContact O-CB 3.48Å; L487-L490 PolarHBondContact O-N 3.31Å; L490-K492 VanDerWaalsContact C-N 3.35Å; L490-K492 PolarHBondContact O-N 3.04Å; L490-R493 PolarHBondContact O-N 3.28Å; L490-I494 HydrophobicContact CD1-CD1 3.82Å; L490-I494 HydrophobicContact CD1-CG1 4.13Å; L490-I494 HydrophobicContact CD2-CD1 4.43Å; L490-I494 HydrophobicContact CG-CD1 3.73Å; L490-I494 HydrophobicContact CG-CG1 4.42Å; L490-I494 VanDerWaalsContact O-CG1 3.28Å; L490-I494 WeakPolarHBondContact O-CG1 3.43Å; L490-I494 PolarHBondContact O-N 3.42Å; L490-V507 HydrophobicContact CD2-CG1 3.62Å; L490-V507 HydrophobicContact CG-CG1 3.92Å; L490-A511 HydrophobicContact CD2-CB 4.07Å; L490-V515 HydrophobicContact CD2-CG2 3.6Å; L490-M600 HydrophobicContact CD2-CE 4.33Å; L490-V603 HydrophobicContact CD1-CG2 4.05Å; L490-V603 HydrophobicContact CD2-CG1 4.18Å; L490-V603 HydrophobicContact CD2-CG2 3.79Å; L490-M606 HydrophobicContact CD1-CB 4.01Å; L490-L607 HydrophobicContact CB-CD2 3.96Å
491	S	89.2	Confident	85.2	Confident	8 Å²	8	52.1 Å²	52.1	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-65.8	-35.5	-178.6	-159.8	0	0	0	0	112.7	L487 R488 S495 V502 E504	L487-S491 WeakPolarHBondContact O-CB 3.14Å; L487-S491 PolarHBondContact O-N 3.16Å; R488-S491 PolarHBondContact O-N 3.05Å; S491-S495 WeakPolarHBondContact O-CB 3.49Å; S491-S495 PolarHBondContact O-N 3.29Å; S491-S495 PolarHBondContact O-OG 3.42Å; S491-V502 PolarHBondContact OG-O 3.25Å; S491-E504 WeakPolarHBondContact OG-CA 3.28Å
492	K	88.7	Confident	84.4	Confident	98 Å²	98	48 Å²	48	43%	0.426	23%	0.232	S	C	.	.	H	α-helix	trans	-59.8	-57.5	169	-179.3	-173.3	173.7	-174.9	0	109.9	R488 V489 L490 I494 S495 D496 E611	R488-K492 WeakPolarHBondContact O-CB 3.38Å; R488-K492 PolarHBondContact O-N 2.88Å; V489-K492 PolarHBondContact O-N 3.2Å; L490-K492 VanDerWaalsContact C-N 3.35Å; L490-K492 PolarHBondContact O-N 3.04Å; K492-I494 VanDerWaalsContact C-N 3.3Å; K492-I494 PolarHBondContact O-N 3.42Å; K492-S495 CarbonylContact O-C 3.59Å; K492-S495 WeakPolarHBondContact O-CA 3.24Å; K492-S495 VanDerWaalsContact O-CB 3.26Å; K492-S495 WeakPolarHBondContact O-CB 3.29Å; K492-S495 PolarHBondContact O-N 2.99Å; K492-D496 WeakPolarHBondContact CE-OD2 3.45Å; K492-D496 WeakPolarHBondContact CG-OD2 3.35Å; K492-D496 VanDerWaalsContact O-CG 3.25Å; K492-D496 PolarHBondContact O-N 2.88Å; K492-E611 IonicContact NZ-OE1 3.13Å; K492-E611 PolarHBondContact NZ-OE1 3.09Å
493	R	85.1	Confident	84	Confident	17 Å²	17	47.1 Å²	47.1	6%	0.064	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-30.5	-174	-68.2	173.1	177.9	-159	-7.2	113.4	D477 V489 L490 A497 M606 L607 Q609	D477-R493 IonicContact OD2-CZ 2.65Å; D477-R493 IonicContact OD2-NH2 3.21Å; D477-R493 PolarHBondContact OD2-NH2 3.47Å; V489-R493 WeakPolarHBondContact O-CB 3.45Å; V489-R493 VanDerWaalsContact O-CG 3.3Å; V489-R493 WeakPolarHBondContact O-CG 3.31Å; V489-R493 PolarHBondContact O-N 2.85Å; L490-R493 PolarHBondContact O-N 3.28Å; R493-A497 VanDerWaalsContact O-CB 3.23Å; R493-A497 WeakPolarHBondContact O-CB 3.27Å; R493-A497 PolarHBondContact O-N 3.32Å; R493-M606 HydrophobicContact CB-CE 3.89Å; R493-M606 WeakPolarHBondContact CD-O 3.49Å; R493-M606 PolarHBondContact NH1-O 3.33Å; R493-M606 VanDerWaalsContact O-CE 3.27Å; R493-M606 WeakPolarHBondContact O-CE 3.49Å; R493-L607 PolarHBondContact NH1-O 2.76Å; R493-Q609 PolarHBondContact NH1-O 3.47Å; R493-Q609 PolarHBondContact NH2-O 3.01Å
494	I	78.7	Confident	83.6	Confident	5 Å²	5	47.3 Å²	47.3	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-66.5	-45.9	168.2	-66	166.1	0	0	0	110.3	L490 K492 D496 A497 L498 V502 V507 M600 Y602 M606	L490-I494 HydrophobicContact CD1-CD1 3.82Å; L490-I494 HydrophobicContact CD1-CG1 4.13Å; L490-I494 HydrophobicContact CD2-CD1 4.43Å; L490-I494 HydrophobicContact CG-CD1 3.73Å; L490-I494 HydrophobicContact CG-CG1 4.42Å; L490-I494 VanDerWaalsContact O-CG1 3.28Å; L490-I494 WeakPolarHBondContact O-CG1 3.43Å; L490-I494 PolarHBondContact O-N 3.42Å; K492-I494 VanDerWaalsContact C-N 3.3Å; K492-I494 PolarHBondContact O-N 3.42Å; I494-D496 VanDerWaalsContact C-N 3.29Å; I494-D496 PolarHBondContact O-N 3.15Å; I494-A497 PolarHBondContact O-N 3.31Å; I494-L498 HydrophobicContact CG2-CD1 3.86Å; I494-L498 HydrophobicContact CG2-CG 4.36Å; I494-L498 WeakPolarHBondContact O-CB 3.48Å; I494-L498 VanDerWaalsContact O-CG 3.23Å; I494-L498 WeakPolarHBondContact O-CG 3.33Å; I494-L498 PolarHBondContact O-N 2.8Å; I494-V502 HydrophobicContact CG2-CB 4.4Å; I494-V502 HydrophobicContact CG2-CG2 3.91Å; I494-V507 HydrophobicContact CD1-CG1 4.14Å; I494-V507 HydrophobicContact CD1-CG2 4.18Å; I494-M600 HydrophobicContact CD1-CE 3.36Å; I494-Y602 HydrophobicContact CD1-CE2 4.38Å; I494-Y602 HydrophobicContact CG1-CE2 4.45Å; I494-M606 HydrophobicContact CB-CE 4.49Å; I494-M606 HydrophobicContact CG1-CE 3.87Å; I494-M606 HydrophobicContact CG1-SD 3.99Å
495	S	82.4	Confident	83.3	Confident	16 Å²	16	49.2 Å²	49.2	11%	0.112	24%	0.243	C	C	.	.	H	α-helix	trans	-59	-41.6	176.9	-57.8	0	0	0	0	112.3	S491 K492 L498 G499 K500 V502	S491-S495 WeakPolarHBondContact O-CB 3.49Å; S491-S495 PolarHBondContact O-N 3.29Å; S491-S495 PolarHBondContact O-OG 3.42Å; K492-S495 CarbonylContact O-C 3.59Å; K492-S495 WeakPolarHBondContact O-CA 3.24Å; K492-S495 VanDerWaalsContact O-CB 3.26Å; K492-S495 WeakPolarHBondContact O-CB 3.29Å; K492-S495 PolarHBondContact O-N 2.99Å; S495-L498 PolarHBondContact O-N 3.1Å; S495-G499 WeakPolarHBondContact O-CA 3.18Å; S495-G499 PolarHBondContact O-N 3.38Å; S495-K500 VanDerWaalsContact CA-O 3.25Å; S495-K500 WeakPolarHBondContact CA-O 3.29Å; S495-K500 WeakPolarHBondContact CB-O 3.23Å; S495-K500 PolarHBondContact O-N 2.93Å; S495-V502 PolarHBondContact OG-N 3.36Å
496	D	78.5	Confident	82.7	Confident	96 Å²	96	47.5 Å²	47.5	51%	0.513	24%	0.237	S	C	.	.	H	α-helix	trans	-66.9	-48	178.1	-59.4	-23.8	0	0	0	111.1	K492 I494 L498 G499	K492-D496 WeakPolarHBondContact CE-OD2 3.45Å; K492-D496 WeakPolarHBondContact CG-OD2 3.35Å; K492-D496 VanDerWaalsContact O-CG 3.25Å; K492-D496 PolarHBondContact O-N 2.88Å; I494-D496 VanDerWaalsContact C-N 3.29Å; I494-D496 PolarHBondContact O-N 3.15Å; D496-L498 PolarHBondContact O-N 2.87Å; D496-G499 PolarHBondContact O-N 2.78Å; D496-G499 VanDerWaalsContact O-N 3.13Å
497	A	69.1	Low	82.2	Confident	18 Å²	18	47.5 Å²	47.5	15%	0.149	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-25.2	178	0	0	0	0	0	113.5	R414 R493 I494 M606	R414-A497 WeakPolarHBondContact CD-O 3.34Å; R493-A497 VanDerWaalsContact O-CB 3.23Å; R493-A497 WeakPolarHBondContact O-CB 3.27Å; R493-A497 PolarHBondContact O-N 3.32Å; I494-A497 PolarHBondContact O-N 3.31Å; A497-M606 HydrophobicContact CB-CE 4.14Å
498	L	67	Low	82	Confident	13 Å²	13	51 Å²	51	7%	0.068	25%	0.253	C	S	.	.	H	α-helix	trans	-99.6	-9	177.8	-60.4	-175	0	0	0	113.8	L112 A411 L415 I494 S495 D496 K500 V502	L112-L498 HydrophobicContact CD2-CD1 3.35Å; A411-L498 HydrophobicContact CB-CD1 4.4Å; A411-L498 HydrophobicContact CB-CD2 3.53Å; A411-L498 HydrophobicContact CB-CG 4.47Å; L415-L498 HydrophobicContact CG-CD2 4.42Å; I494-L498 HydrophobicContact CG2-CD1 3.86Å; I494-L498 HydrophobicContact CG2-CG 4.36Å; I494-L498 WeakPolarHBondContact O-CB 3.48Å; I494-L498 VanDerWaalsContact O-CG 3.23Å; I494-L498 WeakPolarHBondContact O-CG 3.33Å; I494-L498 PolarHBondContact O-N 2.8Å; S495-L498 PolarHBondContact O-N 3.1Å; D496-L498 PolarHBondContact O-N 2.87Å; L498-K500 PolarHBondContact O-N 3.02Å; L498-V502 HydrophobicContact CD1-CG2 4.01Å
499	G	70.3	Confident	81.5	Confident	63 Å²	63	49.1 Å²	49.1	65%	0.649	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	19.4	-174.6	0	0	0	0	0	114.6	S495 D496	S495-G499 WeakPolarHBondContact O-CA 3.18Å; S495-G499 PolarHBondContact O-N 3.38Å; D496-G499 PolarHBondContact O-N 2.78Å; D496-G499 VanDerWaalsContact O-N 3.13Å
500	K	68.8	Low	80.7	Confident	46 Å²	46	49.4 Å²	49.4	20%	0.2	26%	0.264	C	S	.	.	S	Bend	trans	-148.9	138.4	-177.1	-64.2	-169.1	-178.8	-175	0	110.6	L115 S495 L498 V502	L115-K500 HydrophobicContact CB-CD 4.13Å; L115-K500 HydrophobicContact CD2-CB 4.17Å; L115-K500 HydrophobicContact CD2-CD 3.59Å; L115-K500 HydrophobicContact CG-CD 4.36Å; L115-K500 PolarHBondContact O-NZ 3.16Å; S495-K500 VanDerWaalsContact CA-O 3.25Å; S495-K500 WeakPolarHBondContact CA-O 3.29Å; S495-K500 WeakPolarHBondContact CB-O 3.23Å; S495-K500 PolarHBondContact O-N 2.93Å; L498-K500 PolarHBondContact O-N 3.02Å; K500-V502 PolarHBondContact O-N 3.36Å
501	R	81.4	Confident	80.5	Confident	204 Å²	204	49.4 Å²	49.4	77%	0.77	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-62.1	116.5	-178.8	-171.7	-177.5	-169.2	-84.7	-1	111.6
502	V	75.6	Confident	80.5	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.036	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-92.5	129.5	169.8	-179.9	0	0	0	0	109.5	L108 S491 I494 S495 L498 K500 V507	L108-V502 HydrophobicContact CD1-CG1 4.47Å; S491-V502 PolarHBondContact OG-O 3.25Å; I494-V502 HydrophobicContact CG2-CB 4.4Å; I494-V502 HydrophobicContact CG2-CG2 3.91Å; S495-V502 PolarHBondContact OG-N 3.36Å; L498-V502 HydrophobicContact CD1-CG2 4.01Å; K500-V502 PolarHBondContact O-N 3.36Å; V502-V507 HydrophobicContact CG1-CG2 3.91Å
503	P	83.5	Confident	80.6	Confident	40 Å²	40	50.7 Å²	50.7	26%	0.26	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-58	132.7	171.3	-23.9	32.5	0	0	0	112.6	E505 L506	P503-E505 WeakPolarHBondContact CB-OE2 3.29Å; P503-E505 PolarHBondContact O-N 2.92Å; P503-L506 HydrophobicContact CB-CD1 4.17Å; P503-L506 HydrophobicContact CB-CG 4.21Å; P503-L506 HydrophobicContact CG-CD1 3.97Å; P503-L506 PolarHBondContact O-N 2.92Å
504	E	86.7	Confident	80.9	Confident	64 Å²	64	49.9 Å²	49.9	30%	0.299	27%	0.271	S	S	.	.	H	α-helix	trans	-63.6	-31.3	-178.8	-174.1	-179.8	159	0	0	111.4	L487 R488 S491 L506 V507 E508	L487-E504 HydrophobicContact CD2-CG 4.15Å; L487-E504 HydrophobicContact CG-CG 4.33Å; R488-E504 VanDerWaalsContact CG-CD 3.44Å; R488-E504 VanDerWaalsContact CG-OE1 3.26Å; R488-E504 WeakPolarHBondContact CG-OE1 3.13Å; R488-E504 VanDerWaalsContact CG-OE2 3.24Å; R488-E504 WeakPolarHBondContact CG-OE2 3.46Å; S491-E504 WeakPolarHBondContact OG-CA 3.28Å; E504-L506 VanDerWaalsContact C-N 3.27Å; E504-L506 PolarHBondContact O-N 3.4Å; E504-V507 CarbonylContact O-C 3.32Å; E504-V507 WeakPolarHBondContact O-CA 3.35Å; E504-V507 WeakPolarHBondContact O-CB 3.46Å; E504-V507 PolarHBondContact O-N 2.83Å; E504-E508 PolarHBondContact O-N 2.95Å
505	E	88.1	Confident	81.6	Confident	135 Å²	135	49.7 Å²	49.7	63%	0.631	27%	0.27	S	S	*	.	H	α-helix	trans	-61.9	-34.2	179.4	-55.1	80.8	179.8	0	0	112	P503 A509	P503-E505 WeakPolarHBondContact CB-OE2 3.29Å; P503-E505 PolarHBondContact O-N 2.92Å; E505-A509 WeakPolarHBondContact O-CB 3.35Å; E505-A509 PolarHBondContact O-N 3.1Å; E505-A509 VanDerWaalsContact O-N 3.09Å
506	L	81.6	Confident	82.2	Confident	32 Å²	32	53 Å²	53	17%	0.168	28%	0.282	C	S	.	.	H	α-helix	trans	-75.1	-31	175.1	-63.3	175.5	0	0	0	111.7	P107 L108 V111 P503 E504 E510	P107-L506 HydrophobicContact CB-CD2 3.82Å; L108-L506 HydrophobicContact CD1-CB 4.02Å; V111-L506 HydrophobicContact CB-CD1 4.21Å; V111-L506 HydrophobicContact CG1-CD1 4.29Å; V111-L506 HydrophobicContact CG2-CD1 3.84Å; P503-L506 HydrophobicContact CB-CD1 4.17Å; P503-L506 HydrophobicContact CB-CG 4.21Å; P503-L506 HydrophobicContact CG-CD1 3.97Å; P503-L506 PolarHBondContact O-N 2.92Å; E504-L506 VanDerWaalsContact C-N 3.27Å; E504-L506 PolarHBondContact O-N 3.4Å; L506-E510 WeakPolarHBondContact O-CG 3.29Å; L506-E510 PolarHBondContact O-N 3.11Å; L506-E510 VanDerWaalsContact O-N 3.16Å
507	V	83.6	Confident	82.9	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-75.5	-35	174.6	-174	0	0	0	0	110.7	L487 L490 I494 V502 E504 A509 A511 G512 M600	L487-V507 HydrophobicContact CD1-CB 4.46Å; L487-V507 HydrophobicContact CD1-CG1 3.86Å; L490-V507 HydrophobicContact CD2-CG1 3.62Å; L490-V507 HydrophobicContact CG-CG1 3.92Å; I494-V507 HydrophobicContact CD1-CG1 4.14Å; I494-V507 HydrophobicContact CD1-CG2 4.18Å; V502-V507 HydrophobicContact CG1-CG2 3.91Å; E504-V507 CarbonylContact O-C 3.32Å; E504-V507 WeakPolarHBondContact O-CA 3.35Å; E504-V507 WeakPolarHBondContact O-CB 3.46Å; E504-V507 PolarHBondContact O-N 2.83Å; V507-A509 VanDerWaalsContact C-N 3.35Å; V507-A511 WeakPolarHBondContact O-CA 3.42Å; V507-A511 PolarHBondContact O-N 3.24Å; V507-G512 PolarHBondContact O-N 3.04Å; V507-M600 HydrophobicContact CG1-CE 4.39Å
508	E	89.6	Confident	84.1	Confident	73 Å²	73	50.1 Å²	50.1	34%	0.341	26%	0.262	S	S	.	.	H	α-helix	trans	-64	-41	170.8	-155	164.4	-159.9	0	0	110.8	Y483 L487 E504 G512	Y483-E508 PolarHBondContact OH-OE1 2.84Å; L487-E508 HydrophobicContact CD2-CB 3.7Å; L487-E508 HydrophobicContact CD2-CG 3.7Å; E504-E508 PolarHBondContact O-N 2.95Å; E508-G512 VanDerWaalsContact O-CA 3.22Å; E508-G512 WeakPolarHBondContact O-CA 3.35Å; E508-G512 PolarHBondContact O-N 3.43Å
509	A	83.1	Confident	85.5	Confident	82 Å²	82	49.6 Å²	49.6	68%	0.678	26%	0.26	S	S	*	.	H	α-helix	trans	-65	-42.7	179.1	0	0	0	0	0	113.9	E505 V507	E505-A509 WeakPolarHBondContact O-CB 3.35Å; E505-A509 PolarHBondContact O-N 3.1Å; E505-A509 VanDerWaalsContact O-N 3.09Å; V507-A509 VanDerWaalsContact C-N 3.35Å
510	E	75.1	Confident	86.6	Confident	22 Å²	22	51 Å²	51	10%	0.103	25%	0.249	C	C	.	.	H	α-helix	trans	-92.9	-26.5	-174.6	-63.9	-75.1	-177.9	0	0	113.9	S106 L108 L506 R599 M600	S106-E510 WeakPolarHBondContact CB-OE1 3.35Å; S106-E510 PolarHBondContact OG-OE1 3.33Å; L108-E510 HydrophobicContact CB-CG 3.74Å; L108-E510 HydrophobicContact CD1-CG 4.32Å; L108-E510 HydrophobicContact CD2-CG 4.31Å; L108-E510 HydrophobicContact CG-CG 4.34Å; L506-E510 WeakPolarHBondContact O-CG 3.29Å; L506-E510 PolarHBondContact O-N 3.11Å; L506-E510 VanDerWaalsContact O-N 3.16Å; E510-R599 VanDerWaalsContact CD-NH1 3.27Å; E510-R599 IonicContact OE1-NH1 2.62Å; E510-R599 PolarHBondContact OE1-NH1 3.42Å; E510-R599 VanDerWaalsContact OE2-CD 3.3Å; E510-R599 WeakPolarHBondContact OE2-CD 3.29Å; E510-R599 IonicContact OE2-CZ 2.67Å; E510-R599 IonicContact OE2-NE 3.69Å; E510-R599 IonicContact OE2-NH1 3.76Å; E510-R599 PolarHBondContact OE2-NH1 2.92Å; E510-M600 HydrophobicContact CB-SD 3.58Å; E510-M600 VanDerWaalsContact CB-SD 3.58Å
511	A	83.9	Confident	87.9	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-134.1	-5.3	-176	0	0	0	0	0	115.7	L490 V507 M513 L514 V515 M600 V603	L490-A511 HydrophobicContact CD2-CB 4.07Å; V507-A511 WeakPolarHBondContact O-CA 3.42Å; V507-A511 PolarHBondContact O-N 3.24Å; A511-M513 VanDerWaalsContact C-N 3.3Å; A511-M513 PolarHBondContact O-N 3.04Å; A511-L514 WeakPolarHBondContact O-CA 3.43Å; A511-L514 WeakPolarHBondContact O-CB 3.43Å; A511-L514 PolarHBondContact O-N 3.27Å; A511-V515 HydrophobicContact CB-CG2 4.45Å; A511-V515 WeakPolarHBondContact O-CG2 3.24Å; A511-V515 PolarHBondContact O-N 2.77Å; A511-M600 HydrophobicContact CB-CE 3.9Å; A511-M600 HydrophobicContact CB-SD 3.63Å; A511-V603 HydrophobicContact CB-CG2 4.07Å
512	G	89.8	Confident	88.5	Confident	6 Å²	6	39.2 Å²	39.2	6%	0.062	20%	0.204	C	C	.	.	H	α-helix	trans	-56.8	-38.5	-174.9	0	0	0	0	0	114.2	V507 E508 K516	V507-G512 PolarHBondContact O-N 3.04Å; E508-G512 VanDerWaalsContact O-CA 3.22Å; E508-G512 WeakPolarHBondContact O-CA 3.35Å; E508-G512 PolarHBondContact O-N 3.43Å; G512-K516 VanDerWaalsContact O-CB 3.25Å; G512-K516 WeakPolarHBondContact O-CB 3.29Å; G512-K516 PolarHBondContact O-N 3.12Å
513	M	91.5	Very high	89.4	Confident	127 Å²	127	40.4 Å²	40.4	63%	0.626	21%	0.209	S	C	*	.	H	α-helix	trans	-64.3	-43.1	174.2	-172.6	-177.2	-62.7	0	0	112.2	A511 K516 E517 I594	A511-M513 VanDerWaalsContact C-N 3.3Å; A511-M513 PolarHBondContact O-N 3.04Å; M513-K516 PolarHBondContact O-N 2.72Å; M513-E517 PolarHBondContact O-N 2.65Å; M513-I594 HydrophobicContact CG-CG2 4.37Å; M513-I594 HydrophobicContact SD-CG2 4.49Å
514	L	90	Very high	89.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.5	-47.4	177.6	173.6	61.7	0	0	0	111.1	A511 K516 E517 F518 V591 I594 L595 C598 V603	A511-L514 WeakPolarHBondContact O-CA 3.43Å; A511-L514 WeakPolarHBondContact O-CB 3.43Å; A511-L514 PolarHBondContact O-N 3.27Å; L514-K516 VanDerWaalsContact C-N 3.3Å; L514-K516 PolarHBondContact O-N 3.17Å; L514-E517 PolarHBondContact O-N 3.06Å; L514-F518 WeakPolarHBondContact O-CB 3.3Å; L514-F518 PolarHBondContact O-N 3.45Å; L514-V591 HydrophobicContact CD1-CG1 4.05Å; L514-I594 HydrophobicContact CB-CG2 4.07Å; L514-I594 HydrophobicContact CD1-CG2 4.27Å; L514-L595 HydrophobicContact CD1-CB 4.04Å; L514-L595 HydrophobicContact CD1-CD1 4.27Å; L514-L595 HydrophobicContact CD2-CD1 3.66Å; L514-C598 HydrophobicContact CD2-CB 3.97Å; L514-V603 HydrophobicContact CD2-CB 3.79Å; L514-V603 HydrophobicContact CD2-CG1 3.81Å; L514-V603 HydrophobicContact CD2-CG2 4.23Å; L514-V603 HydrophobicContact CG-CG1 4.12Å
515	V	93.7	Very high	90.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.2	-41.7	177.9	177.2	0	0	0	0	110.9	N486 L487 L490 A511 T519 V603 L607	N486-V515 HydrophobicContact CB-CG1 3.68Å; L487-V515 HydrophobicContact CB-CG1 4.4Å; L487-V515 HydrophobicContact CD1-CB 4.46Å; L487-V515 HydrophobicContact CD1-CG2 4.17Å; L490-V515 HydrophobicContact CD2-CG2 3.6Å; A511-V515 HydrophobicContact CB-CG2 4.45Å; A511-V515 WeakPolarHBondContact O-CG2 3.24Å; A511-V515 PolarHBondContact O-N 2.77Å; V515-T519 WeakPolarHBondContact O-CB 3.19Å; V515-T519 PolarHBondContact O-N 2.79Å; V515-T519 PolarHBondContact O-OG1 3.43Å; V515-V603 HydrophobicContact CG2-CG1 4.11Å; V515-L607 HydrophobicContact CG2-CD1 4.49Å
516	K	94.7	Very high	90.4	Very high	87 Å²	87	34 Å²	34	38%	0.378	17%	0.174	S	C	.	.	H	α-helix	trans	-62.1	-55.7	176.4	-179.8	-175.9	171.1	-175	0	112.7	Y483 G512 M513 L514 F518 T519 H520	Y483-K516 HydrophobicContact CD1-CG 4.28Å; Y483-K516 HydrophobicContact CD2-CB 3.91Å; Y483-K516 HydrophobicContact CD2-CG 4.46Å; Y483-K516 HydrophobicContact CE2-CB 4.47Å; Y483-K516 HydrophobicContact CG-CB 3.98Å; Y483-K516 HydrophobicContact CG-CG 4.16Å; G512-K516 VanDerWaalsContact O-CB 3.25Å; G512-K516 WeakPolarHBondContact O-CB 3.29Å; G512-K516 PolarHBondContact O-N 3.12Å; M513-K516 PolarHBondContact O-N 2.72Å; L514-K516 VanDerWaalsContact C-N 3.3Å; L514-K516 PolarHBondContact O-N 3.17Å; K516-F518 VanDerWaalsContact C-N 3.31Å; K516-F518 PolarHBondContact O-N 3.29Å; K516-T519 WeakPolarHBondContact O-CB 3.35Å; K516-T519 PolarHBondContact O-N 3.3Å; K516-T519 VanDerWaalsContact O-N 3.13Å; K516-H520 PolarHBondContact O-N 2.86Å; K516-H520 VanDerWaalsContact O-N 3.09Å
517	E	93.5	Very high	90.8	Very high	52 Å²	52	39.3 Å²	39.3	24%	0.243	19%	0.191	C	C	.	.	H	α-helix	trans	-72.4	-27	-177.2	-64.5	-51.9	125.5	0	0	112.4	M513 L514 H520 L521 V591 I594	M513-E517 PolarHBondContact O-N 2.65Å; L514-E517 PolarHBondContact O-N 3.06Å; E517-H520 PolarHBondContact O-N 3.03Å; E517-H520 IonicContact OE1-CE1 2.69Å; E517-H520 PolarHBondContact OE1-CE1 3.29Å; E517-H520 IonicContact OE1-ND1 3.75Å; E517-H520 PolarHBondContact OE1-ND1 3.13Å; E517-H520 VanDerWaalsContact OE1-ND1 3.13Å; E517-H520 IonicContact OE2-ND1 3.62Å; E517-H520 PolarHBondContact OE2-ND1 3.5Å; E517-L521 WeakPolarHBondContact O-CB 3.41Å; E517-L521 PolarHBondContact O-N 3.18Å; E517-V591 HydrophobicContact CB-CG2 4.04Å; E517-I594 HydrophobicContact CB-CD1 4.04Å; E517-I594 HydrophobicContact CG-CD1 3.97Å
518	F	95.1	Very high	91	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.4	-38.8	167.8	-172.4	-122.8	0	0	0	112	L457 T460 T461 L464 W478 L514 K516 H520 L521 V522 V591 L607	L457-F518 HydrophobicContact CD2-CD2 3.53Å; L457-F518 HydrophobicContact CD2-CE2 3.69Å; L457-F518 HydrophobicContact CD2-CG 4.39Å; T460-F518 HydrophobicContact CG2-CE1 3.89Å; T460-F518 HydrophobicContact CG2-CZ 3.45Å; T460-F518 VanDerWaalsContact CG2-CZ 3.45Å; T461-F518 WeakPolarHBondContact OG1-CE2 3.46Å; L464-F518 HydrophobicContact CD1-CE1 3.91Å; L464-F518 HydrophobicContact CD1-CZ 4.08Å; W478-F518 AromaticContact CH2-CD1 3.58Å; W478-F518 HydrophobicContact CH2-CD1 3.58Å; W478-F518 AromaticContact CH2-CE1 3.85Å; W478-F518 HydrophobicContact CH2-CE1 3.85Å; W478-F518 HydrophobicContact CZ2-CD1 4.17Å; W478-F518 HydrophobicContact CZ2-CE1 4.23Å; W478-F518 HydrophobicContact CZ3-CD1 4.38Å; W478-F518 HydrophobicContact CZ3-CE1 4.46Å; L514-F518 WeakPolarHBondContact O-CB 3.3Å; L514-F518 PolarHBondContact O-N 3.45Å; K516-F518 VanDerWaalsContact C-N 3.31Å; K516-F518 PolarHBondContact O-N 3.29Å; F518-H520 VanDerWaalsContact C-N 3.32Å; F518-H520 PolarHBondContact O-N 3.46Å; F518-L521 HydrophobicContact CD2-CB 4.43Å; F518-L521 HydrophobicContact CD2-CD2 3.95Å; F518-L521 HydrophobicContact CE2-CD2 4.22Å; F518-L521 WeakPolarHBondContact O-CB 3.45Å; F518-L521 PolarHBondContact O-N 3.32Å; F518-L521 VanDerWaalsContact O-N 3.13Å; F518-V522 HydrophobicContact CD1-CG2 4.39Å; F518-V522 HydrophobicContact CD2-CG2 4.15Å; F518-V522 HydrophobicContact CE1-CG2 3.98Å; F518-V522 HydrophobicContact CE2-CG2 3.73Å; F518-V522 HydrophobicContact CG-CG2 4.44Å; F518-V522 HydrophobicContact CZ-CG2 3.6Å; F518-V522 VanDerWaalsContact O-CG2 3.31Å; F518-V522 WeakPolarHBondContact O-CG2 3.38Å; F518-V522 PolarHBondContact O-N 3.16Å; F518-V591 HydrophobicContact CB-CG1 4.37Å; F518-L607 HydrophobicContact CD1-CD1 4Å; F518-L607 HydrophobicContact CE1-CD1 4.3Å
519	T	95.6	Very high	91	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-58.4	-44.1	172.2	-56.5	0	0	0	0	111.2	N486 V515 K516 V522 E523	N486-T519 WeakPolarHBondContact ND2-CG2 3.16Å; N486-T519 PolarHBondContact ND2-OG1 3.45Å; V515-T519 WeakPolarHBondContact O-CB 3.19Å; V515-T519 PolarHBondContact O-N 2.79Å; V515-T519 PolarHBondContact O-OG1 3.43Å; K516-T519 WeakPolarHBondContact O-CB 3.35Å; K516-T519 PolarHBondContact O-N 3.3Å; K516-T519 VanDerWaalsContact O-N 3.13Å; T519-V522 PolarHBondContact O-N 2.99Å; T519-E523 PolarHBondContact O-N 3.09Å; T519-E523 VanDerWaalsContact O-N 3.12Å
520	H	94.6	Very high	91.4	Very high	92 Å²	92	38.5 Å²	38.5	43%	0.426	17%	0.172	S	C	.	.	H	α-helix	trans	-65.4	-37.5	173.8	-61.5	153.8	0	0	0	113.2	K516 E517 F518 S524	K516-H520 PolarHBondContact O-N 2.86Å; K516-H520 VanDerWaalsContact O-N 3.09Å; E517-H520 PolarHBondContact O-N 3.03Å; E517-H520 IonicContact OE1-CE1 2.69Å; E517-H520 PolarHBondContact OE1-CE1 3.29Å; E517-H520 IonicContact OE1-ND1 3.75Å; E517-H520 PolarHBondContact OE1-ND1 3.13Å; E517-H520 VanDerWaalsContact OE1-ND1 3.13Å; E517-H520 IonicContact OE2-ND1 3.62Å; E517-H520 PolarHBondContact OE2-ND1 3.5Å; F518-H520 VanDerWaalsContact C-N 3.32Å; F518-H520 PolarHBondContact O-N 3.46Å; H520-S524 VanDerWaalsContact O-CB 3.28Å; H520-S524 WeakPolarHBondContact O-CB 3.12Å; H520-S524 PolarHBondContact O-N 2.88Å; H520-S524 PolarHBondContact O-OG 3.18Å
521	L	94.7	Very high	92.1	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-49	176.2	-171.7	70.3	0	0	0	111	L457 E517 F518 S524 F525 W584 R587 L588 V591	L457-L521 HydrophobicContact CB-CD2 4.26Å; E517-L521 WeakPolarHBondContact O-CB 3.41Å; E517-L521 PolarHBondContact O-N 3.18Å; F518-L521 HydrophobicContact CD2-CB 4.43Å; F518-L521 HydrophobicContact CD2-CD2 3.95Å; F518-L521 HydrophobicContact CE2-CD2 4.22Å; F518-L521 WeakPolarHBondContact O-CB 3.45Å; F518-L521 PolarHBondContact O-N 3.32Å; F518-L521 VanDerWaalsContact O-N 3.13Å; L521-S524 PolarHBondContact O-N 2.98Å; L521-S524 PolarHBondContact O-OG 2.98Å; L521-F525 WeakPolarHBondContact O-CB 3.47Å; L521-F525 PolarHBondContact O-N 2.86Å; L521-W584 HydrophobicContact CD1-CH2 4.04Å; L521-W584 HydrophobicContact CD1-CZ2 3.37Å; L521-W584 HydrophobicContact CG-CH2 4.4Å; L521-W584 HydrophobicContact CG-CZ2 3.74Å; L521-R587 HydrophobicContact CD1-CB 3.9Å; L521-L588 HydrophobicContact CD1-CB 4.4Å; L521-L588 HydrophobicContact CD2-CD1 4.01Å; L521-V591 HydrophobicContact CB-CG2 4.23Å; L521-V591 HydrophobicContact CD1-CG2 4.39Å; L521-V591 HydrophobicContact CD2-CB 4.14Å; L521-V591 HydrophobicContact CD2-CG1 4.28Å; L521-V591 HydrophobicContact CD2-CG2 4.29Å
522	V	94.7	Very high	92.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.7	-43.6	-177.4	177.3	0	0	0	0	112	T461 L464 W478 F480 F518 T519 F525 R526	T461-V522 HydrophobicContact CG2-CG2 4.24Å; L464-V522 HydrophobicContact CB-CG1 4.01Å; L464-V522 HydrophobicContact CD1-CG1 4.42Å; L464-V522 HydrophobicContact CD1-CG2 4.13Å; W478-V522 HydrophobicContact CZ2-CB 4.06Å; W478-V522 HydrophobicContact CZ2-CG1 4.36Å; W478-V522 HydrophobicContact CZ2-CG2 3.91Å; F480-V522 HydrophobicContact CD1-CG1 3.9Å; F480-V522 HydrophobicContact CE1-CG1 3.54Å; F480-V522 HydrophobicContact CZ-CG1 4.5Å; F518-V522 HydrophobicContact CD1-CG2 4.39Å; F518-V522 HydrophobicContact CD2-CG2 4.15Å; F518-V522 HydrophobicContact CE1-CG2 3.98Å; F518-V522 HydrophobicContact CE2-CG2 3.73Å; F518-V522 HydrophobicContact CG-CG2 4.44Å; F518-V522 HydrophobicContact CZ-CG2 3.6Å; F518-V522 VanDerWaalsContact O-CG2 3.31Å; F518-V522 WeakPolarHBondContact O-CG2 3.38Å; F518-V522 PolarHBondContact O-N 3.16Å; T519-V522 PolarHBondContact O-N 2.99Å; V522-F525 PolarHBondContact O-N 3.38Å; V522-R526 PolarHBondContact O-N 3.3Å
523	E	94	Very high	92.6	Very high	30 Å²	30	44.4 Å²	44.4	14%	0.14	20%	0.199	C	C	.	.	H	α-helix	trans	-67.1	-37.7	174.9	167.4	55.9	-170.2	0	0	112.8	F480 T519 F525 R526 R527	F480-E523 HydrophobicContact CB-CB 4.39Å; F480-E523 WeakPolarHBondContact O-CB 3.43Å; T519-E523 PolarHBondContact O-N 3.09Å; T519-E523 VanDerWaalsContact O-N 3.12Å; E523-F525 VanDerWaalsContact C-N 3.33Å; E523-F525 PolarHBondContact O-N 2.87Å; E523-R526 PolarHBondContact O-N 3.22Å; E523-R526 IonicContact OE1-NH2 2.82Å; E523-R526 IonicContact OE2-CZ 3.24Å; E523-R526 IonicContact OE2-NE 2.72Å; E523-R526 PolarHBondContact OE2-NE 2.83Å; E523-R526 IonicContact OE2-NH2 2.77Å; E523-R526 PolarHBondContact OE2-NH2 2.8Å; E523-R527 WeakPolarHBondContact O-CG 3.35Å; E523-R527 PolarHBondContact O-N 3.46Å; E523-R527 IonicContact OE1-CZ 3.14Å; E523-R527 IonicContact OE1-NE 3.58Å; E523-R527 PolarHBondContact OE1-NE 3.01Å; E523-R527 IonicContact OE1-NH2 3.47Å; E523-R527 PolarHBondContact OE1-NH2 3.49Å
524	S	92.7	Very high	92.6	Very high	17 Å²	17	38.4 Å²	38.4	12%	0.119	17%	0.17	C	C	.	.	H	α-helix	trans	-69.4	-30.6	175.5	63.4	0	0	0	0	112.7	H520 L521 W584	H520-S524 VanDerWaalsContact O-CB 3.28Å; H520-S524 WeakPolarHBondContact O-CB 3.12Å; H520-S524 PolarHBondContact O-N 2.88Å; H520-S524 PolarHBondContact O-OG 3.18Å; L521-S524 PolarHBondContact O-N 2.98Å; L521-S524 PolarHBondContact O-OG 2.98Å; S524-W584 PolarHBondContact OG-NE1 3.09Å; S524-W584 VanDerWaalsContact OG-NE1 3.07Å
525	F	93.9	Very high	92.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-72.9	-39.7	171.5	-174	-87.3	0	0	0	112.8	L458 T461 F462 Y465 L521 V522 E523 R527 L528 L530 L538 W584	L458-F525 HydrophobicContact CD1-CD2 4.46Å; L458-F525 HydrophobicContact CD1-CE2 3.82Å; L458-F525 HydrophobicContact CD1-CZ 4.49Å; T461-F525 HydrophobicContact CG2-CB 3.33Å; T461-F525 HydrophobicContact CG2-CD1 3.61Å; T461-F525 HydrophobicContact CG2-CD2 3.87Å; T461-F525 HydrophobicContact CG2-CE1 4.35Å; T461-F525 HydrophobicContact CG2-CG 3.32Å; F462-F525 HydrophobicContact CB-CE1 4.16Å; F462-F525 HydrophobicContact CB-CZ 4.16Å; F462-F525 AromaticContact CD2-CE1 3.85Å; F462-F525 HydrophobicContact CD2-CE1 3.85Å; F462-F525 AromaticContact CD2-CZ 3.93Å; F462-F525 HydrophobicContact CD2-CZ 3.93Å; Y465-F525 HydrophobicContact CD1-CE1 4.03Å; Y465-F525 HydrophobicContact CG-CD1 4.32Å; Y465-F525 HydrophobicContact CG-CE1 4.28Å; L521-F525 WeakPolarHBondContact O-CB 3.47Å; L521-F525 PolarHBondContact O-N 2.86Å; V522-F525 PolarHBondContact O-N 3.38Å; E523-F525 VanDerWaalsContact C-N 3.33Å; E523-F525 PolarHBondContact O-N 2.87Å; F525-R527 PolarHBondContact O-N 3.42Å; F525-R527 VanDerWaalsContact O-N 3.16Å; F525-L528 HydrophobicContact CD2-CD1 4.09Å; F525-L528 WeakPolarHBondContact O-CA 3.42Å; F525-L528 VanDerWaalsContact O-CB 3.24Å; F525-L528 WeakPolarHBondContact O-CB 3.39Å; F525-L528 PolarHBondContact O-N 3.42Å; F525-L530 HydrophobicContact CE2-CD1 3.73Å; F525-L530 HydrophobicContact CE2-CG 4.42Å; F525-L530 HydrophobicContact CZ-CB 4.27Å; F525-L530 HydrophobicContact CZ-CD1 3.8Å; F525-L530 HydrophobicContact CZ-CG 4.19Å; F525-L538 HydrophobicContact CE2-CD2 4.38Å; F525-W584 HydrophobicContact CB-CZ2 3.74Å; F525-W584 HydrophobicContact CD2-CD2 4.43Å; F525-W584 AromaticContact CD2-CE2 3.99Å; F525-W584 HydrophobicContact CD2-CE3 4.45Å; F525-W584 AromaticContact CD2-CH2 3.66Å; F525-W584 HydrophobicContact CD2-CH2 3.66Å; F525-W584 AromaticContact CD2-CZ2 3.6Å; F525-W584 HydrophobicContact CD2-CZ2 3.6Å; F525-W584 HydrophobicContact CD2-CZ3 4.09Å; F525-W584 HydrophobicContact CE2-CH2 4.34Å; F525-W584 HydrophobicContact CG-CZ2 4.12Å
526	R	92.1	Very high	92.8	Very high	89 Å²	89	38.5 Å²	38.5	34%	0.336	17%	0.17	S	C	.	.	H	α-helix	trans	-55.6	-33.9	175.2	178.3	169	74.9	137	3.7	112.1	Y465 F480 V522 E523 L528 K529	Y465-R526 HydrophobicContact CD2-CB 4.06Å; Y465-R526 HydrophobicContact CD2-CG 3.88Å; Y465-R526 HydrophobicContact CE2-CG 4.28Å; F480-R526 HydrophobicContact CD1-CB 4.33Å; F480-R526 HydrophobicContact CE1-CB 4.2Å; F480-R526 HydrophobicContact CE1-CG 4.45Å; V522-R526 PolarHBondContact O-N 3.3Å; E523-R526 PolarHBondContact O-N 3.22Å; E523-R526 IonicContact OE1-NH2 2.82Å; E523-R526 IonicContact OE2-CZ 3.24Å; E523-R526 IonicContact OE2-NE 2.72Å; E523-R526 PolarHBondContact OE2-NE 2.83Å; E523-R526 IonicContact OE2-NH2 2.77Å; E523-R526 PolarHBondContact OE2-NH2 2.8Å; R526-L528 VanDerWaalsContact C-N 3.26Å; R526-L528 PolarHBondContact O-N 2.79Å; R526-K529 WeakPolarHBondContact O-CG 3.09Å; R526-K529 PolarHBondContact O-N 2.72Å
527	R	90.4	Very high	92.7	Very high	142 Å²	142	34.3 Å²	34.3	54%	0.536	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.7	173.8	-66.4	169.8	-174.7	-137.4	-3.2	113.8	E523 F525	E523-R527 WeakPolarHBondContact O-CG 3.35Å; E523-R527 PolarHBondContact O-N 3.46Å; E523-R527 IonicContact OE1-CZ 3.14Å; E523-R527 IonicContact OE1-NE 3.58Å; E523-R527 PolarHBondContact OE1-NE 3.01Å; E523-R527 IonicContact OE1-NH2 3.47Å; E523-R527 PolarHBondContact OE1-NH2 3.49Å; F525-R527 PolarHBondContact O-N 3.42Å; F525-R527 VanDerWaalsContact O-N 3.16Å
528	L	89.4	Confident	92.7	Very high	12 Å²	12	31.9 Å²	31.9	6%	0.063	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-27.4	174.8	-60.7	177.8	0	0	0	112.6	F525 R526 L530 S576 Q580 W584	F525-L528 HydrophobicContact CD2-CD1 4.09Å; F525-L528 WeakPolarHBondContact O-CA 3.42Å; F525-L528 VanDerWaalsContact O-CB 3.24Å; F525-L528 WeakPolarHBondContact O-CB 3.39Å; F525-L528 PolarHBondContact O-N 3.42Å; R526-L528 VanDerWaalsContact C-N 3.26Å; R526-L528 PolarHBondContact O-N 2.79Å; L528-L530 HydrophobicContact CB-CD2 3.98Å; L528-L530 HydrophobicContact CB-CG 3.94Å; L528-L530 PolarHBondContact O-N 2.77Å; L528-S576 VanDerWaalsContact C-OG 3.28Å; L528-S576 WeakPolarHBondContact CA-OG 3.35Å; L528-S576 WeakPolarHBondContact O-CB 3.41Å; L528-S576 PolarHBondContact O-OG 3.21Å; L528-Q580 HydrophobicContact CD2-CB 4.16Å; L528-W584 HydrophobicContact CD1-CB 4.01Å; L528-W584 HydrophobicContact CD1-CD2 4.03Å; L528-W584 HydrophobicContact CD1-CG 3.77Å
529	K	88.8	Confident	92.6	Very high	124 Å²	124	31.9 Å²	31.9	54%	0.539	14%	0.14	S	C	.	.			trans	50.5	48.8	-179.4	-60.3	-168.3	174.2	-162.5	0	113.9	Y465 R526	Y465-K529 WeakPolarHBondContact OH-CA 3.41Å; R526-K529 WeakPolarHBondContact O-CG 3.09Å; R526-K529 PolarHBondContact O-N 2.72Å
530	L	90.7	Very high	92.5	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	14%	0.14	C	C	.	.			trans	-71.8	140.6	-178.9	-57.4	-169	0	0	0	111.4	Y465 F525 L528 A534 L538 L569 V581	Y465-L530 WeakPolarHBondContact CE1-O 3.48Å; F525-L530 HydrophobicContact CE2-CD1 3.73Å; F525-L530 HydrophobicContact CE2-CG 4.42Å; F525-L530 HydrophobicContact CZ-CB 4.27Å; F525-L530 HydrophobicContact CZ-CD1 3.8Å; F525-L530 HydrophobicContact CZ-CG 4.19Å; L528-L530 HydrophobicContact CB-CD2 3.98Å; L528-L530 HydrophobicContact CB-CG 3.94Å; L528-L530 PolarHBondContact O-N 2.77Å; L530-A534 HydrophobicContact CB-CB 4.29Å; L530-L538 HydrophobicContact CD1-CD2 3.75Å; L530-L569 HydrophobicContact CD2-CD2 3.63Å; L530-V581 HydrophobicContact CD2-CG2 4.03Å
531	S	90.9	Very high	92.3	Very high	29 Å²	29	28.2 Å²	28.2	20%	0.203	12%	0.124	C	C	.	.			trans	-73.1	159.9	167.7	64.7	0	0	0	0	110.9	H533 A534 Y535	S531-H533 PolarHBondContact O-N 3.18Å; S531-A534 PolarHBondContact O-N 3.39Å; S531-A534 PolarHBondContact OG-N 2.82Å; S531-Y535 PolarHBondContact O-N 2.96Å
532	R	91.5	Very high	92	Very high	59 Å²	59	28 Å²	28	22%	0.223	12%	0.123	C	C	.	.	H	α-helix	trans	-55.6	-41.6	175.6	-169.7	170.9	174.6	119.6	-6.7	111.4	V389 E395 F462 A534 Y535 V536	V389-R532 HydrophobicContact CG1-CG 4.2Å; E395-R532 IonicContact OE1-NH1 2.67Å; F462-R532 HydrophobicContact CE1-CB 4.47Å; F462-R532 HydrophobicContact CE1-CG 4.21Å; F462-R532 HydrophobicContact CZ-CB 3.91Å; F462-R532 HydrophobicContact CZ-CG 4.15Å; R532-A534 PolarHBondContact O-N 3.18Å; R532-Y535 PolarHBondContact O-N 2.94Å; R532-V536 PolarHBondContact O-N 3.36Å
533	H	91.8	Very high	91.7	Very high	64 Å²	64	28 Å²	28	30%	0.296	12%	0.123	S	C	.	.	H	α-helix	trans	-54.6	-49.5	171.4	-56.4	104.5	0	0	0	113.2	L385 S531 V536 C537 Q568	L385-H533 HydrophobicContact CD1-CB 4.28Å; L385-H533 HydrophobicContact CD2-CB 4.22Å; L385-H533 HydrophobicContact CG-CB 4.44Å; S531-H533 PolarHBondContact O-N 3.18Å; H533-V536 WeakPolarHBondContact O-CG2 3.12Å; H533-C537 PolarHBondContact O-N 2.92Å; H533-C537 PolarHBondContact O-SG 2.67Å; H533-C537 VanDerWaalsContact O-SG 3.41Å; H533-Q568 VanDerWaalsContact CB-CD 3.45Å; H533-Q568 HydrophobicContact CB-CG 3.83Å
534	A	92.1	Very high	91.3	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-66.5	-36.9	177.8	0	0	0	0	0	112.3	L530 S531 R532 L538 L565 Q568 L569	L530-A534 HydrophobicContact CB-CB 4.29Å; S531-A534 PolarHBondContact O-N 3.39Å; S531-A534 PolarHBondContact OG-N 2.82Å; R532-A534 PolarHBondContact O-N 3.18Å; A534-L538 WeakPolarHBondContact O-CB 3.31Å; A534-L538 PolarHBondContact O-N 2.8Å; A534-L565 HydrophobicContact CB-CD1 3.9Å; A534-L565 WeakPolarHBondContact O-CD1 3.42Å; A534-Q568 HydrophobicContact CB-CB 4.19Å; A534-L569 HydrophobicContact CB-CD2 4.47Å
535	Y	94.2	Very high	90.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.2	-45.8	176.7	149.5	-97.9	0	0	0	112.6	D392 L394 L458 S459 F462 S531 R532 C537 L538 K539	D392-Y535 VanDerWaalsContact OD2-CE1 3.29Å; D392-Y535 WeakPolarHBondContact OD2-CE1 3.14Å; D392-Y535 PolarHBondContact OD2-OH 3.41Å; L394-Y535 HydrophobicContact CD1-CE1 4.45Å; L394-Y535 WeakPolarHBondContact CD1-OH 3.27Å; L458-Y535 HydrophobicContact CG-CD2 4.42Å; L458-Y535 HydrophobicContact CG-CE2 4.26Å; S459-Y535 PolarHBondContact OG-OH 3.28Å; F462-Y535 HydrophobicContact CB-CD1 4.48Å; F462-Y535 HydrophobicContact CB-CD2 3.37Å; F462-Y535 HydrophobicContact CB-CE2 3.5Å; F462-Y535 VanDerWaalsContact CB-CE2 3.5Å; F462-Y535 HydrophobicContact CB-CG 3.91Å; F462-Y535 AromaticContact CD1-CD1 3.44Å; F462-Y535 HydrophobicContact CD1-CD1 3.44Å; F462-Y535 VanDerWaalsContact CD1-CD1 3.44Å; F462-Y535 AromaticContact CD1-CD2 3.92Å; F462-Y535 HydrophobicContact CD1-CD2 3.92Å; F462-Y535 AromaticContact CD1-CE1 3.57Å; F462-Y535 HydrophobicContact CD1-CE1 3.57Å; F462-Y535 HydrophobicContact CD1-CE2 4.03Å; F462-Y535 AromaticContact CD1-CG 3.63Å; F462-Y535 HydrophobicContact CD1-CG 3.63Å; F462-Y535 AromaticContact CD1-CZ 3.87Å; F462-Y535 VanDerWaalsContact CD2-CB 3.45Å; F462-Y535 HydrophobicContact CD2-CD1 4.07Å; F462-Y535 AromaticContact CD2-CD2 3.83Å; F462-Y535 HydrophobicContact CD2-CD2 3.83Å; F462-Y535 AromaticContact CD2-CG 3.49Å; F462-Y535 HydrophobicContact CD2-CG 3.49Å; F462-Y535 VanDerWaalsContact CD2-CG 3.49Å; F462-Y535 AromaticContact CE1-CD1 3.59Å; F462-Y535 HydrophobicContact CE1-CD1 3.59Å; F462-Y535 AromaticContact CE1-CE1 3.95Å; F462-Y535 HydrophobicContact CE1-CE1 3.95Å; F462-Y535 HydrophobicContact CE1-CG 4.04Å; F462-Y535 HydrophobicContact CE2-CD1 4.2Å; F462-Y535 AromaticContact CE2-CG 3.91Å; F462-Y535 HydrophobicContact CE2-CG 3.91Å; F462-Y535 AromaticContact CG-CD1 3.72Å; F462-Y535 HydrophobicContact CG-CD1 3.72Å; F462-Y535 AromaticContact CG-CD2 3.4Å; F462-Y535 HydrophobicContact CG-CD2 3.4Å; F462-Y535 VanDerWaalsContact CG-CD2 3.4Å; F462-Y535 HydrophobicContact CG-CE1 4.1Å; F462-Y535 AromaticContact CG-CE2 3.81Å; F462-Y535 HydrophobicContact CG-CE2 3.81Å; F462-Y535 AromaticContact CG-CG 3.35Å; F462-Y535 HydrophobicContact CG-CG 3.35Å; F462-Y535 AromaticContact CZ-CD1 3.98Å; F462-Y535 HydrophobicContact CZ-CD1 3.98Å; F462-Y535 HydrophobicContact CZ-CG 4.17Å; S531-Y535 PolarHBondContact O-N 2.96Å; R532-Y535 PolarHBondContact O-N 2.94Å; Y535-C537 VanDerWaalsContact C-N 3.35Å; Y535-C537 PolarHBondContact O-N 3.02Å; Y535-L538 CarbonylContact O-C 3.59Å; Y535-L538 WeakPolarHBondContact O-CB 3.42Å; Y535-L538 PolarHBondContact O-N 2.58Å; Y535-L538 VanDerWaalsContact O-N 3.1Å; Y535-K539 HydrophobicContact CE2-CB 4.37Å; Y535-K539 HydrophobicContact CE2-CD 4.3Å; Y535-K539 WeakPolarHBondContact O-CB 3.46Å; Y535-K539 PolarHBondContact O-N 3.5Å; Y535-K539 WeakPolarHBondContact OH-CD 3.3Å; Y535-K539 PolarHBondContact OH-NZ 3.21Å
536	V	94.3	Very high	89.3	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-66.1	-37.1	-179.7	-61.9	0	0	0	0	111.9	L385 L388 V389 D392 R532 H533 K539 V540	L385-V536 HydrophobicContact CD1-CG2 3.99Å; L388-V536 HydrophobicContact CB-CB 4.37Å; L388-V536 HydrophobicContact CB-CG2 4.01Å; V389-V536 HydrophobicContact CG2-CG1 4.37Å; V389-V536 HydrophobicContact CG2-CG2 3.62Å; D392-V536 HydrophobicContact CB-CG1 3.93Å; R532-V536 PolarHBondContact O-N 3.36Å; H533-V536 WeakPolarHBondContact O-CG2 3.12Å; V536-K539 PolarHBondContact O-N 3.41Å; V536-V540 PolarHBondContact O-N 2.78Å; V536-V540 VanDerWaalsContact O-N 3.11Å
537	C	92.3	Very high	87.5	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.4	-49.8	169	-64.4	0	0	0	0	111.3	L385 H533 Y535 K539 V540 I541 L565	L385-C537 WeakPolarHBondContact CD1-SG 3.43Å; H533-C537 PolarHBondContact O-N 2.92Å; H533-C537 PolarHBondContact O-SG 2.67Å; H533-C537 VanDerWaalsContact O-SG 3.41Å; Y535-C537 VanDerWaalsContact C-N 3.35Å; Y535-C537 PolarHBondContact O-N 3.02Å; C537-K539 VanDerWaalsContact C-N 3.29Å; C537-K539 PolarHBondContact O-N 3.37Å; C537-V540 PolarHBondContact O-N 3.49Å; C537-I541 HydrophobicContact CB-CD1 4.39Å; C537-I541 WeakPolarHBondContact O-CB 3.45Å; C537-I541 VanDerWaalsContact O-CD1 3.28Å; C537-I541 WeakPolarHBondContact O-CD1 3.32Å; C537-I541 WeakPolarHBondContact O-CG1 3.07Å; C537-I541 PolarHBondContact O-N 3.25Å; C537-L565 HydrophobicContact CB-CB 3.9Å
538	L	92.7	Very high	85.8	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-60.7	-37.3	-179.9	-176.3	61.4	0	0	0	112.3	L458 F525 L530 A534 Y535 T542 L565 V581 L585	L458-L538 HydrophobicContact CD1-CD2 4.2Å; L458-L538 HydrophobicContact CD2-CG 4.2Å; F525-L538 HydrophobicContact CE2-CD2 4.38Å; L530-L538 HydrophobicContact CD1-CD2 3.75Å; A534-L538 WeakPolarHBondContact O-CB 3.31Å; A534-L538 PolarHBondContact O-N 2.8Å; Y535-L538 CarbonylContact O-C 3.59Å; Y535-L538 WeakPolarHBondContact O-CB 3.42Å; Y535-L538 PolarHBondContact O-N 2.58Å; Y535-L538 VanDerWaalsContact O-N 3.1Å; L538-T542 WeakPolarHBondContact O-CB 3.14Å; L538-T542 PolarHBondContact O-N 2.72Å; L538-T542 PolarHBondContact O-OG1 3.22Å; L538-L565 HydrophobicContact CD1-CD2 4.35Å; L538-V581 HydrophobicContact CD1-CG1 3.65Å; L538-V581 HydrophobicContact CD2-CG1 3.78Å; L538-V581 HydrophobicContact CG-CG1 4.35Å; L538-L585 HydrophobicContact CD1-CD1 4.39Å; L538-L585 HydrophobicContact CD1-CD2 4.08Å; L538-L585 HydrophobicContact CD1-CG 4.45Å
539	K	94	Very high	84.1	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.5	-49.8	177.7	-171.6	-173.9	-175.3	177.7	0	112.1	D392 W429 I455 L458 S459 Y535 V536 C537 T542 L543	D392-K539 VanDerWaalsContact CG-NZ 3.32Å; D392-K539 VanDerWaalsContact OD1-CD 3.25Å; D392-K539 WeakPolarHBondContact OD1-CD 3.2Å; D392-K539 WeakPolarHBondContact OD1-CE 3.34Å; D392-K539 IonicContact OD1-NZ 3.31Å; D392-K539 PolarHBondContact OD1-NZ 2.86Å; D392-K539 IonicContact OD2-NZ 2.72Å; D392-K539 PolarHBondContact OD2-NZ 3.32Å; W429-K539 HydrophobicContact CH2-CD 4.23Å; W429-K539 HydrophobicContact CH2-CG 4.09Å; W429-K539 HydrophobicContact CZ2-CD 3.51Å; W429-K539 HydrophobicContact CZ2-CG 3.8Å; I455-K539 HydrophobicContact CD1-CG 4.11Å; I455-K539 WeakPolarHBondContact CD1-O 3.49Å; L458-K539 HydrophobicContact CD2-CB 4.19Å; S459-K539 WeakPolarHBondContact OG-CE 3.25Å; S459-K539 PolarHBondContact OG-NZ 3.08Å; S459-K539 VanDerWaalsContact OG-NZ 3.09Å; Y535-K539 HydrophobicContact CE2-CB 4.37Å; Y535-K539 HydrophobicContact CE2-CD 4.3Å; Y535-K539 WeakPolarHBondContact O-CB 3.46Å; Y535-K539 PolarHBondContact O-N 3.5Å; Y535-K539 WeakPolarHBondContact OH-CD 3.3Å; Y535-K539 PolarHBondContact OH-NZ 3.21Å; V536-K539 PolarHBondContact O-N 3.41Å; C537-K539 VanDerWaalsContact C-N 3.29Å; C537-K539 PolarHBondContact O-N 3.37Å; K539-T542 WeakPolarHBondContact O-CA 3.1Å; K539-T542 WeakPolarHBondContact O-CB 3.33Å; K539-T542 PolarHBondContact O-N 3.39Å; K539-T542 VanDerWaalsContact O-N 3.12Å; K539-L543 PolarHBondContact O-N 3.01Å
540	V	92.4	Very high	82.3	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.012	16%	0.163	C	C	.	.	H	α-helix	trans	-69	-37.6	177.9	-176.6	0	0	0	0	111.4	L388 W429 L433 F435 V536 C537 T542 L543 F544 L561	L388-V540 HydrophobicContact CD2-CG2 3.95Å; W429-V540 HydrophobicContact CZ2-CG2 4.43Å; L433-V540 HydrophobicContact CD2-CG2 3.99Å; F435-V540 HydrophobicContact CE1-CG1 4.44Å; F435-V540 HydrophobicContact CZ-CG1 3.69Å; V536-V540 PolarHBondContact O-N 2.78Å; V536-V540 VanDerWaalsContact O-N 3.11Å; C537-V540 PolarHBondContact O-N 3.49Å; V540-T542 PolarHBondContact O-N 3.44Å; V540-L543 WeakPolarHBondContact O-CB 3.22Å; V540-L543 PolarHBondContact O-N 2.99Å; V540-L543 VanDerWaalsContact O-N 3.16Å; V540-F544 HydrophobicContact CG1-CD2 4.11Å; V540-F544 HydrophobicContact CG1-CE2 3.71Å; V540-F544 HydrophobicContact CG1-CZ 3.98Å; V540-F544 PolarHBondContact O-N 3.31Å; V540-F544 VanDerWaalsContact O-N 3.08Å; V540-L561 HydrophobicContact CB-CD1 3.85Å; V540-L561 HydrophobicContact CG1-CD1 3.37Å
541	I	89.9	Confident	81.2	Confident	15 Å²	15	29.4 Å²	29.4	8%	0.077	17%	0.173	C	C	.	.	H	α-helix	trans	-59.1	-34.1	171	-68.8	161.4	0	0	0	111.2	C537 Q545 L561 I562 L565	C537-I541 HydrophobicContact CB-CD1 4.39Å; C537-I541 WeakPolarHBondContact O-CB 3.45Å; C537-I541 VanDerWaalsContact O-CD1 3.28Å; C537-I541 WeakPolarHBondContact O-CD1 3.32Å; C537-I541 WeakPolarHBondContact O-CG1 3.07Å; C537-I541 PolarHBondContact O-N 3.25Å; I541-Q545 WeakPolarHBondContact O-CG 3.43Å; I541-L561 HydrophobicContact CD1-CB 4.04Å; I541-L561 HydrophobicContact CG1-CB 3.75Å; I541-I562 HydrophobicContact CD1-CB 4.4Å; I541-I562 HydrophobicContact CD1-CG1 3.71Å; I541-I562 HydrophobicContact CG1-CG1 4.03Å; I541-I562 HydrophobicContact CG2-CG1 4.47Å; I541-L565 HydrophobicContact CD1-CB 4.23Å; I541-L565 HydrophobicContact CD1-CD2 3.83Å
542	T	89.5	Confident	80.4	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-73.9	-36.8	176.3	-57.5	0	0	0	0	112.1	Q454 I455 L538 K539 V540 F544 Q545 L588	Q454-T542 HydrophobicContact CB-CG2 3.66Å; I455-T542 HydrophobicContact CD1-CG2 4.26Å; L538-T542 WeakPolarHBondContact O-CB 3.14Å; L538-T542 PolarHBondContact O-N 2.72Å; L538-T542 PolarHBondContact O-OG1 3.22Å; K539-T542 WeakPolarHBondContact O-CA 3.1Å; K539-T542 WeakPolarHBondContact O-CB 3.33Å; K539-T542 PolarHBondContact O-N 3.39Å; K539-T542 VanDerWaalsContact O-N 3.12Å; V540-T542 PolarHBondContact O-N 3.44Å; T542-F544 VanDerWaalsContact C-N 3.27Å; T542-F544 PolarHBondContact O-N 3.37Å; T542-Q545 PolarHBondContact O-N 2.94Å; T542-L588 HydrophobicContact CG2-CD2 4.12Å
543	L	88.8	Confident	79.5	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-38.5	172.3	-177.8	65	0	0	0	111.4	W429 T430 L433 F444 L447 L448 N451 I455 K539 V540 Q545	W429-L543 HydrophobicContact CH2-CB 4.35Å; W429-L543 HydrophobicContact CH2-CD2 3.93Å; W429-L543 HydrophobicContact CZ3-CD1 4.4Å; W429-L543 HydrophobicContact CZ3-CD2 3.98Å; T430-L543 HydrophobicContact CG2-CD2 4.37Å; L433-L543 HydrophobicContact CD1-CD2 3.87Å; F444-L543 HydrophobicContact CD1-CD2 4.48Å; L447-L543 HydrophobicContact CB-CD1 3.98Å; L447-L543 HydrophobicContact CB-CG 4.27Å; L447-L543 WeakPolarHBondContact CD2-O 3.21Å; L448-L543 HydrophobicContact CD2-CD1 4.15Å; L448-L543 HydrophobicContact CG-CD1 4.29Å; N451-L543 PolarHBondContact ND2-O 2.92Å; I455-L543 HydrophobicContact CD1-CB 3.98Å; I455-L543 HydrophobicContact CG1-CD1 4.42Å; K539-L543 PolarHBondContact O-N 3.01Å; V540-L543 WeakPolarHBondContact O-CB 3.22Å; V540-L543 PolarHBondContact O-N 2.99Å; V540-L543 VanDerWaalsContact O-N 3.16Å; L543-Q545 VanDerWaalsContact C-N 3.3Å; L543-Q545 PolarHBondContact O-N 3.24Å
544	F	85.4	Confident	78.6	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	12.9	-179.9	-62.9	-21.7	0	0	0	115	F435 L439 F444 L447 V540 T542 M554 F557 Q558 L561	F435-F544 HydrophobicContact CD2-CZ 4.37Å; F435-F544 HydrophobicContact CE2-CE1 4.41Å; F435-F544 HydrophobicContact CE2-CE2 4.44Å; F435-F544 AromaticContact CE2-CZ 3.6Å; F435-F544 HydrophobicContact CE2-CZ 3.6Å; F435-F544 HydrophobicContact CZ-CZ 4.03Å; L439-F544 HydrophobicContact CD1-CE1 4.43Å; L439-F544 HydrophobicContact CD1-CZ 4.41Å; F444-F544 HydrophobicContact CE1-CE1 4.45Å; L447-F544 HydrophobicContact CD1-CD1 3.81Å; L447-F544 HydrophobicContact CD1-CE1 4.04Å; V540-F544 HydrophobicContact CG1-CD2 4.11Å; V540-F544 HydrophobicContact CG1-CE2 3.71Å; V540-F544 HydrophobicContact CG1-CZ 3.98Å; V540-F544 PolarHBondContact O-N 3.31Å; V540-F544 VanDerWaalsContact O-N 3.08Å; T542-F544 VanDerWaalsContact C-N 3.27Å; T542-F544 PolarHBondContact O-N 3.37Å; F544-M554 HydrophobicContact CB-CG 4.34Å; F544-M554 HydrophobicContact CB-SD 4.23Å; F544-M554 HydrophobicContact CD1-CG 3.63Å; F544-M554 HydrophobicContact CD1-SD 3.53Å; F544-M554 VanDerWaalsContact CD1-SD 3.53Å; F544-M554 HydrophobicContact CD2-CG 4.02Å; F544-M554 HydrophobicContact CE1-CG 3.76Å; F544-M554 HydrophobicContact CE1-SD 4.02Å; F544-M554 HydrophobicContact CE2-CG 4.14Å; F544-M554 HydrophobicContact CG-CG 3.76Å; F544-M554 HydrophobicContact CG-SD 3.98Å; F544-M554 HydrophobicContact CZ-CG 4.01Å; F544-F557 HydrophobicContact CE2-CB 3.76Å; F544-F557 HydrophobicContact CZ-CB 4.38Å; F544-Q558 HydrophobicContact CB-CB 4.48Å; F544-Q558 HydrophobicContact CB-CG 4.25Å; F544-Q558 HydrophobicContact CD2-CB 3.95Å; F544-Q558 HydrophobicContact CD2-CG 4.39Å; F544-Q558 PolarHBondContact O-NE2 3.06Å; F544-Q558 VanDerWaalsContact O-NE2 3.09Å; F544-L561 HydrophobicContact CD2-CD1 4.32Å; F544-L561 HydrophobicContact CE2-CD1 4.02Å
545	Q	77.6	Confident	77.8	Confident	39 Å²	39	33 Å²	33	18%	0.182	20%	0.2	C	C	.	.			trans	-80.9	126.9	170.3	-65.5	-179.5	27.2	0	0	109.9	N451 I541 T542 L543	N451-Q545 PolarHBondContact ND2-O 3.11Å; N451-Q545 PolarHBondContact OD1-O 3.32Å; I541-Q545 WeakPolarHBondContact O-CG 3.43Å; T542-Q545 PolarHBondContact O-N 2.94Å; L543-Q545 VanDerWaalsContact C-N 3.3Å; L543-Q545 PolarHBondContact O-N 3.24Å
546	G	67.3	Low	77.2	Confident	39 Å²	39	38.2 Å²	38.2	40%	0.402	22%	0.22	S	C	.	.	S	Bend	trans	150.6	-172.9	173.5	0	0	0	0	0	114.3	M548 A549	G546-M548 VanDerWaalsContact C-N 3.31Å; G546-M548 PolarHBondContact O-N 3.4Å; G546-A549 WeakPolarHBondContact O-CB 3.42Å; G546-A549 PolarHBondContact O-N 3.43Å
547	Q	53.9	Low	76.5	Confident	115 Å²	115	39.1 Å²	39.1	54%	0.537	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-16.2	-173.4	-60.5	-162.3	-53.4	0	0	113.9	L187 A549	L187-Q547 VanDerWaalsContact CD1-NE2 3.28Å; Q547-A549 PolarHBondContact O-N 3.4Å
548	M	54.3	Low	76.1	Confident	87 Å²	87	40.7 Å²	40.7	43%	0.429	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	4.3	175.5	-61.5	-62.5	94.6	0	0	113.4	A446 G546 A550 D551 M554	A446-M548 HydrophobicContact CB-CG 4.23Å; G546-M548 VanDerWaalsContact C-N 3.31Å; G546-M548 PolarHBondContact O-N 3.4Å; M548-A550 PolarHBondContact O-N 3.01Å; M548-D551 PolarHBondContact O-N 3.44Å; M548-M554 WeakPolarHBondContact O-CE 3.43Å
549	A	53.1	Low	75.4	Confident	39 Å²	39	43.6 Å²	43.6	32%	0.322	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	21.9	170.4	0	0	0	0	0	114.9	G546 Q547 M554 N555	G546-A549 WeakPolarHBondContact O-CB 3.42Å; G546-A549 PolarHBondContact O-N 3.43Å; Q547-A549 PolarHBondContact O-N 3.4Å; A549-M554 VanDerWaalsContact CA-CE 3.49Å; A549-M554 HydrophobicContact CB-CE 4.18Å; A549-N555 PolarHBondContact O-ND2 3.3Å
550	A	52.5	Low	74.9	Confident	86 Å²	86	45.1 Å²	45.1	71%	0.711	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-18.9	166.8	0	0	0	0	0	112.6	M548	M548-A550 PolarHBondContact O-N 3.01Å
551	D	67.9	Low	74.6	Confident	40 Å²	40	45.1 Å²	45.1	21%	0.214	25%	0.252	C	S	.	.			trans	-68.9	125.9	-178.2	-176.3	-83.1	0	0	0	112.2	M548 Q553 M554 N555	M548-D551 PolarHBondContact O-N 3.44Å; D551-Q553 PolarHBondContact O-N 2.99Å; D551-Q553 WeakPolarHBondContact OD1-CA 3.42Å; D551-Q553 WeakPolarHBondContact OD1-CB 3.43Å; D551-Q553 PolarHBondContact OD1-N 3.42Å; D551-M554 HydrophobicContact CB-CB 4.01Å; D551-M554 PolarHBondContact OD1-N 2.9Å; D551-N555 WeakPolarHBondContact O-CB 3.49Å; D551-N555 PolarHBondContact O-N 3.05Å; D551-N555 PolarHBondContact O-ND2 3.13Å
552	P	72.8	Confident	74.3	Confident	101 Å²	101	45.5 Å²	45.5	66%	0.656	25%	0.253	S	S	*	.	H	α-helix	trans	-65.5	-34.6	-177.5	-23.2	34.7	0	0	0	114.8	Y556	P552-Y556 WeakPolarHBondContact O-CB 3.4Å; P552-Y556 PolarHBondContact O-N 3.08Å
553	Q	72.5	Confident	74	Confident	74 Å²	74	47.2 Å²	47.2	35%	0.346	26%	0.261	S	S	.	.	H	α-helix	trans	-75.8	-42.1	-179.5	-70	172.6	-105.9	0	0	110.6	D438 L439 D551 N555 Y556 F557	D438-Q553 PolarHBondContact O-NE2 3.04Å; L439-Q553 HydrophobicContact CD2-CB 3.62Å; D551-Q553 PolarHBondContact O-N 2.99Å; D551-Q553 WeakPolarHBondContact OD1-CA 3.42Å; D551-Q553 WeakPolarHBondContact OD1-CB 3.43Å; D551-Q553 PolarHBondContact OD1-N 3.42Å; Q553-N555 VanDerWaalsContact C-N 3.34Å; Q553-N555 PolarHBondContact O-N 3.22Å; Q553-Y556 WeakPolarHBondContact O-CA 3.13Å; Q553-Y556 WeakPolarHBondContact O-CB 3.37Å; Q553-Y556 PolarHBondContact O-N 2.85Å; Q553-Y556 VanDerWaalsContact O-N 3.09Å; Q553-F557 HydrophobicContact CB-CE2 4.5Å; Q553-F557 WeakPolarHBondContact O-CD2 3.5Å; Q553-F557 PolarHBondContact O-N 3.29Å
554	M	74.2	Confident	73.8	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-41.4	173.8	-166.5	-177.5	70.3	0	0	111.3	L439 V443 L447 F544 M548 A549 D551 Y556 F557 Q558	L439-M554 HydrophobicContact CD1-CB 4.04Å; L439-M554 HydrophobicContact CD1-CG 4.16Å; L439-M554 HydrophobicContact CD2-CB 4.25Å; V443-M554 HydrophobicContact CG1-SD 4.26Å; L447-M554 HydrophobicContact CD1-SD 3.69Å; L447-M554 HydrophobicContact CD2-CE 4.36Å; L447-M554 HydrophobicContact CD2-SD 3.87Å; L447-M554 HydrophobicContact CG-SD 4.34Å; F544-M554 HydrophobicContact CB-CG 4.34Å; F544-M554 HydrophobicContact CB-SD 4.23Å; F544-M554 HydrophobicContact CD1-CG 3.63Å; F544-M554 HydrophobicContact CD1-SD 3.53Å; F544-M554 VanDerWaalsContact CD1-SD 3.53Å; F544-M554 HydrophobicContact CD2-CG 4.02Å; F544-M554 HydrophobicContact CE1-CG 3.76Å; F544-M554 HydrophobicContact CE1-SD 4.02Å; F544-M554 HydrophobicContact CE2-CG 4.14Å; F544-M554 HydrophobicContact CG-CG 3.76Å; F544-M554 HydrophobicContact CG-SD 3.98Å; F544-M554 HydrophobicContact CZ-CG 4.01Å; M548-M554 WeakPolarHBondContact O-CE 3.43Å; A549-M554 VanDerWaalsContact CA-CE 3.49Å; A549-M554 HydrophobicContact CB-CE 4.18Å; D551-M554 HydrophobicContact CB-CB 4.01Å; D551-M554 PolarHBondContact OD1-N 2.9Å; M554-Y556 VanDerWaalsContact C-N 3.32Å; M554-Y556 PolarHBondContact O-N 3.17Å; M554-F557 PolarHBondContact O-N 3.24Å; M554-Q558 WeakPolarHBondContact O-CB 3.35Å; M554-Q558 PolarHBondContact O-N 3.34Å
555	N	75.5	Confident	73.9	Confident	54 Å²	54	47.7 Å²	47.7	29%	0.289	26%	0.264	S	S	.	.	H	α-helix	trans	-58.8	-42.6	171	-86.1	-75.8	0	0	0	111.7	A549 D551 Q553 Q558 E559	A549-N555 PolarHBondContact O-ND2 3.3Å; D551-N555 WeakPolarHBondContact O-CB 3.49Å; D551-N555 PolarHBondContact O-N 3.05Å; D551-N555 PolarHBondContact O-ND2 3.13Å; Q553-N555 VanDerWaalsContact C-N 3.34Å; Q553-N555 PolarHBondContact O-N 3.22Å; N555-Q558 PolarHBondContact O-N 3.5Å; N555-E559 WeakPolarHBondContact O-CB 3.38Å; N555-E559 VanDerWaalsContact O-CG 3.29Å; N555-E559 WeakPolarHBondContact O-CG 3.49Å; N555-E559 PolarHBondContact O-N 3.25Å
556	Y	80.3	Confident	74.2	Confident	109 Å²	109	47.1 Å²	47.1	43%	0.427	26%	0.261	S	S	.	.	H	α-helix	trans	-60.5	-45.3	175.2	171.7	-85.3	0	0	0	112.2	P552 Q553 M554 E559 H560	P552-Y556 WeakPolarHBondContact O-CB 3.4Å; P552-Y556 PolarHBondContact O-N 3.08Å; Q553-Y556 WeakPolarHBondContact O-CA 3.13Å; Q553-Y556 WeakPolarHBondContact O-CB 3.37Å; Q553-Y556 PolarHBondContact O-N 2.85Å; Q553-Y556 VanDerWaalsContact O-N 3.09Å; M554-Y556 VanDerWaalsContact C-N 3.32Å; M554-Y556 PolarHBondContact O-N 3.17Å; Y556-E559 WeakPolarHBondContact O-CB 3.49Å; Y556-E559 PolarHBondContact O-N 3.3Å; Y556-H560 AromaticContact CD1-ND1 3.9Å; Y556-H560 AromaticContact CD2-CE1 3.53Å; Y556-H560 AromaticContact CD2-ND1 3.82Å; Y556-H560 AromaticContact CE1-ND1 3.8Å; Y556-H560 AromaticContact CE2-CE1 3.24Å; Y556-H560 WeakPolarHBondContact CE2-CE1 3.2Å; Y556-H560 AromaticContact CE2-ND1 3.73Å; Y556-H560 AromaticContact CG-ND1 3.89Å; Y556-H560 AromaticContact CZ-CE1 3.56Å; Y556-H560 AromaticContact CZ-ND1 3.72Å; Y556-H560 PolarHBondContact O-N 3.27Å; Y556-H560 PolarHBondContact O-ND1 3.39Å
557	F	80.6	Confident	74.9	Confident	19 Å²	19	47.5 Å²	47.5	8%	0.083	25%	0.253	C	S	.	.	H	α-helix	trans	-65.3	-46.5	176.5	-68.6	-64.1	0	0	0	111.5	F435 D438 F544 Q553 M554 E559 H560 L561	F435-F557 HydrophobicContact CB-CD1 4.23Å; F435-F557 HydrophobicContact CB-CD2 4.47Å; F435-F557 HydrophobicContact CB-CE1 3.6Å; F435-F557 HydrophobicContact CB-CE2 3.89Å; F435-F557 HydrophobicContact CB-CZ 3.42Å; F435-F557 VanDerWaalsContact CB-CZ 3.42Å; F435-F557 HydrophobicContact CD1-CD1 4.03Å; F435-F557 HydrophobicContact CD1-CE1 4.15Å; F435-F557 HydrophobicContact CD1-CG 4.48Å; F435-F557 HydrophobicContact CD2-CD2 4.46Å; F435-F557 HydrophobicContact CG-CD1 4.08Å; F435-F557 HydrophobicContact CG-CD2 4.36Å; F435-F557 AromaticContact CG-CE1 3.98Å; F435-F557 HydrophobicContact CG-CE1 3.98Å; F435-F557 HydrophobicContact CG-CE2 4.26Å; F435-F557 HydrophobicContact CG-CG 4.29Å; F435-F557 HydrophobicContact CG-CZ 4.08Å; D438-F557 HydrophobicContact CB-CE2 3.93Å; D438-F557 HydrophobicContact CB-CZ 3.93Å; D438-F557 WeakPolarHBondContact OD2-CZ 3.18Å; F544-F557 HydrophobicContact CE2-CB 3.76Å; F544-F557 HydrophobicContact CZ-CB 4.38Å; Q553-F557 HydrophobicContact CB-CE2 4.5Å; Q553-F557 WeakPolarHBondContact O-CD2 3.5Å; Q553-F557 PolarHBondContact O-N 3.29Å; M554-F557 PolarHBondContact O-N 3.24Å; F557-E559 VanDerWaalsContact C-N 3.32Å; F557-E559 PolarHBondContact O-N 3.41Å; F557-H560 PolarHBondContact O-N 2.82Å; F557-H560 VanDerWaalsContact O-N 3.13Å; F557-L561 WeakPolarHBondContact O-CD1 3.47Å; F557-L561 VanDerWaalsContact O-CG 3.27Å; F557-L561 WeakPolarHBondContact O-CG 3.4Å; F557-L561 PolarHBondContact O-N 3.5Å
558	Q	82.2	Confident	76.4	Confident	34 Å²	34	43.1 Å²	43.1	16%	0.159	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-42.6	177.8	-165	176.5	37	0	0	111.6	F544 M554 N555 H560 L561 I562	F544-Q558 HydrophobicContact CB-CB 4.48Å; F544-Q558 HydrophobicContact CB-CG 4.25Å; F544-Q558 HydrophobicContact CD2-CB 3.95Å; F544-Q558 HydrophobicContact CD2-CG 4.39Å; F544-Q558 PolarHBondContact O-NE2 3.06Å; F544-Q558 VanDerWaalsContact O-NE2 3.09Å; M554-Q558 WeakPolarHBondContact O-CB 3.35Å; M554-Q558 PolarHBondContact O-N 3.34Å; N555-Q558 PolarHBondContact O-N 3.5Å; Q558-H560 PolarHBondContact O-N 2.99Å; Q558-L561 PolarHBondContact O-N 2.86Å; Q558-I562 HydrophobicContact CG-CD1 4.18Å; Q558-I562 WeakPolarHBondContact O-CD1 3.22Å; Q558-I562 VanDerWaalsContact O-CG1 3.23Å; Q558-I562 WeakPolarHBondContact O-CG1 3.48Å; Q558-I562 PolarHBondContact O-N 3.48Å; Q558-I562 VanDerWaalsContact O-N 3.13Å
559	E	78.3	Confident	77.8	Confident	61 Å²	61	39.7 Å²	39.7	29%	0.285	22%	0.216	S	C	.	.	H	α-helix	trans	-50.1	-57.6	171.1	-84.6	-116.1	147.8	0	0	110.8	T322 N555 Y556 F557 I562 K563	T322-E559 VanDerWaalsContact CB-OE1 3.29Å; T322-E559 WeakPolarHBondContact CB-OE1 3.3Å; T322-E559 HydrophobicContact CG2-CB 4.18Å; T322-E559 VanDerWaalsContact CG2-CD 3.47Å; T322-E559 HydrophobicContact CG2-CG 3.67Å; T322-E559 WeakPolarHBondContact CG2-OE1 3.21Å; T322-E559 PolarHBondContact OG1-OE1 2.87Å; N555-E559 WeakPolarHBondContact O-CB 3.38Å; N555-E559 VanDerWaalsContact O-CG 3.29Å; N555-E559 WeakPolarHBondContact O-CG 3.49Å; N555-E559 PolarHBondContact O-N 3.25Å; Y556-E559 WeakPolarHBondContact O-CB 3.49Å; Y556-E559 PolarHBondContact O-N 3.3Å; F557-E559 VanDerWaalsContact C-N 3.32Å; F557-E559 PolarHBondContact O-N 3.41Å; E559-I562 PolarHBondContact O-N 3.33Å; E559-K563 WeakPolarHBondContact O-CE 3.38Å; E559-K563 WeakPolarHBondContact O-CG 3.27Å; E559-K563 PolarHBondContact O-N 3.13Å; E559-K563 WeakPolarHBondContact OE2-CE 3.42Å; E559-K563 IonicContact OE2-NZ 3.9Å; E559-K563 PolarHBondContact OE2-NZ 3.26Å
560	H	83.5	Confident	79	Confident	33 Å²	33	40.3 Å²	40.3	15%	0.153	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-39.7	-173	-73.1	91.3	0	0	0	112.6	L381 Y556 F557 Q558 I562 K563 L564	L381-H560 HydrophobicContact CD2-CB 4.14Å; Y556-H560 AromaticContact CD1-ND1 3.9Å; Y556-H560 AromaticContact CD2-CE1 3.53Å; Y556-H560 AromaticContact CD2-ND1 3.82Å; Y556-H560 AromaticContact CE1-ND1 3.8Å; Y556-H560 AromaticContact CE2-CE1 3.24Å; Y556-H560 WeakPolarHBondContact CE2-CE1 3.2Å; Y556-H560 AromaticContact CE2-ND1 3.73Å; Y556-H560 AromaticContact CG-ND1 3.89Å; Y556-H560 AromaticContact CZ-CE1 3.56Å; Y556-H560 AromaticContact CZ-ND1 3.72Å; Y556-H560 PolarHBondContact O-N 3.27Å; Y556-H560 PolarHBondContact O-ND1 3.39Å; F557-H560 PolarHBondContact O-N 2.82Å; F557-H560 VanDerWaalsContact O-N 3.13Å; Q558-H560 PolarHBondContact O-N 2.99Å; H560-I562 VanDerWaalsContact C-N 3.33Å; H560-I562 PolarHBondContact O-N 2.95Å; H560-K563 PolarHBondContact CE1-NZ 3.3Å; H560-K563 PolarHBondContact NE2-NZ 3.29Å; H560-K563 WeakPolarHBondContact O-CA 3.26Å; H560-K563 WeakPolarHBondContact O-CB 3.47Å; H560-K563 PolarHBondContact O-N 3.19Å; H560-L564 WeakPolarHBondContact O-CG 3.12Å; H560-L564 PolarHBondContact O-N 3.35Å
561	L	86.4	Confident	79.8	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-62.2	-37.4	175.2	-67.9	161.4	0	0	0	112.5	L388 V540 I541 F544 F557 Q558 K563 L564 L565	L388-L561 HydrophobicContact CD1-CD2 3.58Å; V540-L561 HydrophobicContact CB-CD1 3.85Å; V540-L561 HydrophobicContact CG1-CD1 3.37Å; I541-L561 HydrophobicContact CD1-CB 4.04Å; I541-L561 HydrophobicContact CG1-CB 3.75Å; F544-L561 HydrophobicContact CD2-CD1 4.32Å; F544-L561 HydrophobicContact CE2-CD1 4.02Å; F557-L561 WeakPolarHBondContact O-CD1 3.47Å; F557-L561 VanDerWaalsContact O-CG 3.27Å; F557-L561 WeakPolarHBondContact O-CG 3.4Å; F557-L561 PolarHBondContact O-N 3.5Å; Q558-L561 PolarHBondContact O-N 2.86Å; L561-K563 VanDerWaalsContact C-N 3.31Å; L561-K563 PolarHBondContact O-N 3.27Å; L561-L564 PolarHBondContact O-N 3.42Å; L561-L565 WeakPolarHBondContact O-CB 3.43Å; L561-L565 PolarHBondContact O-N 2.96Å
562	I	85	Confident	79.5	Confident	23 Å²	23	44.3 Å²	44.3	12%	0.118	22%	0.223	C	C	.	.	H	α-helix	trans	-68.7	-32.2	175	-57.1	160.5	0	0	0	110.4	L326 I541 Q558 E559 H560 H566 L578	L326-I562 HydrophobicContact CD2-CB 4.21Å; L326-I562 HydrophobicContact CD2-CG2 3.59Å; I541-I562 HydrophobicContact CD1-CB 4.4Å; I541-I562 HydrophobicContact CD1-CG1 3.71Å; I541-I562 HydrophobicContact CG1-CG1 4.03Å; I541-I562 HydrophobicContact CG2-CG1 4.47Å; Q558-I562 HydrophobicContact CG-CD1 4.18Å; Q558-I562 WeakPolarHBondContact O-CD1 3.22Å; Q558-I562 VanDerWaalsContact O-CG1 3.23Å; Q558-I562 WeakPolarHBondContact O-CG1 3.48Å; Q558-I562 PolarHBondContact O-N 3.48Å; Q558-I562 VanDerWaalsContact O-N 3.13Å; E559-I562 PolarHBondContact O-N 3.33Å; H560-I562 VanDerWaalsContact C-N 3.33Å; H560-I562 PolarHBondContact O-N 2.95Å; I562-H566 PolarHBondContact O-N 3.05Å; I562-L578 HydrophobicContact CG2-CD2 4.42Å
563	K	81.2	Confident	78.6	Confident	36 Å²	36	47.6 Å²	47.6	16%	0.157	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-46.4	172.3	-39	-177.7	-176.5	149.7	0	110.1	L326 E559 H560 L561 H566 I567	L326-K563 HydrophobicContact CD1-CB 4.04Å; L326-K563 HydrophobicContact CD1-CD 4.5Å; L326-K563 HydrophobicContact CD1-CG 3.79Å; L326-K563 HydrophobicContact CD2-CG 4.38Å; E559-K563 WeakPolarHBondContact O-CE 3.38Å; E559-K563 WeakPolarHBondContact O-CG 3.27Å; E559-K563 PolarHBondContact O-N 3.13Å; E559-K563 WeakPolarHBondContact OE2-CE 3.42Å; E559-K563 IonicContact OE2-NZ 3.9Å; E559-K563 PolarHBondContact OE2-NZ 3.26Å; H560-K563 PolarHBondContact CE1-NZ 3.3Å; H560-K563 PolarHBondContact NE2-NZ 3.29Å; H560-K563 WeakPolarHBondContact O-CA 3.26Å; H560-K563 WeakPolarHBondContact O-CB 3.47Å; H560-K563 PolarHBondContact O-N 3.19Å; L561-K563 VanDerWaalsContact C-N 3.31Å; L561-K563 PolarHBondContact O-N 3.27Å; K563-H566 PolarHBondContact O-N 2.73Å; K563-I567 WeakPolarHBondContact O-CB 3.22Å; K563-I567 WeakPolarHBondContact O-CD1 3.49Å; K563-I567 WeakPolarHBondContact O-CG1 3.41Å; K563-I567 PolarHBondContact O-N 3.01Å
564	L	85	Confident	77.9	Confident	7 Å²	7	45.4 Å²	45.4	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-46.6	177.6	-67.2	171.7	0	0	0	112.4	L381 L385 H560 L561 H566 I567 Q568	L381-L564 HydrophobicContact CB-CD2 4.07Å; L381-L564 HydrophobicContact CD2-CD1 4Å; L381-L564 HydrophobicContact CD2-CD2 3.68Å; L381-L564 HydrophobicContact CD2-CG 3.7Å; L381-L564 HydrophobicContact CG-CD2 4.49Å; L381-L564 WeakPolarHBondContact O-CD2 3.2Å; L385-L564 HydrophobicContact CB-CD1 4.2Å; L385-L564 HydrophobicContact CD2-CD2 4.35Å; H560-L564 WeakPolarHBondContact O-CG 3.12Å; H560-L564 PolarHBondContact O-N 3.35Å; L561-L564 PolarHBondContact O-N 3.42Å; L564-H566 PolarHBondContact O-N 2.91Å; L564-I567 PolarHBondContact O-N 2.77Å; L564-I567 VanDerWaalsContact O-N 3.14Å; L564-Q568 WeakPolarHBondContact O-CB 2.94Å; L564-Q568 WeakPolarHBondContact O-CG 3.49Å; L564-Q568 PolarHBondContact O-N 3.38Å
565	L	87.4	Confident	77.5	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-57.3	-47.8	175	178.6	58.1	0	0	0	111.5	A534 C537 L538 I541 L561 I567 Q568 L569 L578	A534-L565 HydrophobicContact CB-CD1 3.9Å; A534-L565 WeakPolarHBondContact O-CD1 3.42Å; C537-L565 HydrophobicContact CB-CB 3.9Å; L538-L565 HydrophobicContact CD1-CD2 4.35Å; I541-L565 HydrophobicContact CD1-CB 4.23Å; I541-L565 HydrophobicContact CD1-CD2 3.83Å; L561-L565 WeakPolarHBondContact O-CB 3.43Å; L561-L565 PolarHBondContact O-N 2.96Å; L565-I567 VanDerWaalsContact C-N 3.33Å; L565-I567 PolarHBondContact O-N 3.04Å; L565-Q568 PolarHBondContact O-N 3.49Å; L565-L569 HydrophobicContact CD1-CD1 3.87Å; L565-L569 HydrophobicContact CD1-CG 4.05Å; L565-L569 HydrophobicContact CG-CD1 3.95Å; L565-L569 WeakPolarHBondContact O-CB 3.29Å; L565-L569 WeakPolarHBondContact O-CG 3.33Å; L565-L569 PolarHBondContact O-N 3.05Å; L565-L578 HydrophobicContact CD2-CD1 3.82Å; L565-L578 HydrophobicContact CG-CD1 4.11Å
566	H	83.8	Confident	77.5	Confident	26 Å²	26	45.4 Å²	45.4	12%	0.12	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-40.8	176.5	-172.7	-43.4	0	0	0	111.7	L326 T330 I562 K563 L564 S570 L578	L326-H566 HydrophobicContact CD2-CB 4.36Å; T330-H566 PolarHBondContact OG1-NE2 3.19Å; I562-H566 PolarHBondContact O-N 3.05Å; K563-H566 PolarHBondContact O-N 2.73Å; L564-H566 PolarHBondContact O-N 2.91Å; H566-S570 WeakPolarHBondContact O-CB 3.02Å; H566-S570 PolarHBondContact O-N 2.81Å; H566-S570 PolarHBondContact O-OG 3.13Å; H566-L578 HydrophobicContact CB-CD2 4.39Å
567	I	82.5	Confident	77.6	Confident	48 Å²	48	44 Å²	44	25%	0.246	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-52.1	177.9	-73.7	164.8	0	0	0	109.9	K563 L564 L565 L569 S570 Q571	K563-I567 WeakPolarHBondContact O-CB 3.22Å; K563-I567 WeakPolarHBondContact O-CD1 3.49Å; K563-I567 WeakPolarHBondContact O-CG1 3.41Å; K563-I567 PolarHBondContact O-N 3.01Å; L564-I567 PolarHBondContact O-N 2.77Å; L564-I567 VanDerWaalsContact O-N 3.14Å; L565-I567 VanDerWaalsContact C-N 3.33Å; L565-I567 PolarHBondContact O-N 3.04Å; I567-L569 PolarHBondContact O-N 3.45Å; I567-S570 CarbonylContact O-C 3.56Å; I567-S570 WeakPolarHBondContact O-CA 3.48Å; I567-S570 PolarHBondContact O-N 3.31Å; I567-S570 PolarHBondContact O-OG 2.95Å; I567-Q571 HydrophobicContact CG2-CG 4.19Å; I567-Q571 PolarHBondContact O-N 3.14Å
568	Q	84.8	Confident	77.6	Confident	23 Å²	23	44 Å²	44	11%	0.107	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-40.5	179.9	-74.6	-67.9	-23.1	0	0	113.1	L385 H533 A534 L564 L565 S570 N572	L385-Q568 HydrophobicContact CD2-CG 3.98Å; H533-Q568 VanDerWaalsContact CB-CD 3.45Å; H533-Q568 HydrophobicContact CB-CG 3.83Å; A534-Q568 HydrophobicContact CB-CB 4.19Å; L564-Q568 WeakPolarHBondContact O-CB 2.94Å; L564-Q568 WeakPolarHBondContact O-CG 3.49Å; L564-Q568 PolarHBondContact O-N 3.38Å; L565-Q568 PolarHBondContact O-N 3.49Å; Q568-S570 PolarHBondContact O-N 3.35Å; Q568-N572 PolarHBondContact O-N 3.06Å; Q568-N572 PolarHBondContact O-ND2 3.19Å; Q568-N572 PolarHBondContact OE1-ND2 2.85Å
569	L	84	Confident	77.3	Confident	15 Å²	15	43.2 Å²	43.2	8%	0.079	24%	0.237	C	C	.	.	H	α-helix	trans	-68.6	-15.5	174.3	-67.5	172.8	0	0	0	113.9	L530 A534 L565 I567 L578 V581	L530-L569 HydrophobicContact CD2-CD2 3.63Å; A534-L569 HydrophobicContact CB-CD2 4.47Å; L565-L569 HydrophobicContact CD1-CD1 3.87Å; L565-L569 HydrophobicContact CD1-CG 4.05Å; L565-L569 HydrophobicContact CG-CD1 3.95Å; L565-L569 WeakPolarHBondContact O-CB 3.29Å; L565-L569 WeakPolarHBondContact O-CG 3.33Å; L565-L569 PolarHBondContact O-N 3.05Å; I567-L569 PolarHBondContact O-N 3.45Å; L569-L578 HydrophobicContact CD1-CB 4.12Å; L569-L578 HydrophobicContact CD1-CD1 4.27Å; L569-V581 HydrophobicContact CD1-CG2 4.01Å; L569-V581 HydrophobicContact CD2-CG2 4.33Å
570	S	77.8	Confident	77.4	Confident	52 Å²	52	44 Å²	44	36%	0.364	24%	0.241	S	C	.	.	H	α-helix	trans	-109.2	-13.8	-177	69.3	0	0	0	0	115.2	H566 I567 Q568	H566-S570 WeakPolarHBondContact O-CB 3.02Å; H566-S570 PolarHBondContact O-N 2.81Å; H566-S570 PolarHBondContact O-OG 3.13Å; I567-S570 CarbonylContact O-C 3.56Å; I567-S570 WeakPolarHBondContact O-CA 3.48Å; I567-S570 PolarHBondContact O-N 3.31Å; I567-S570 PolarHBondContact O-OG 2.95Å; Q568-S570 PolarHBondContact O-N 3.35Å
571	Q	71	Confident	77.4	Confident	138 Å²	138	42.5 Å²	42.5	65%	0.645	23%	0.234	S	C	*	.	H	α-helix	trans	-97.9	-45	179	-75.3	-179.2	-44.2	0	0	112.3	I567	I567-Q571 HydrophobicContact CG2-CG 4.19Å; I567-Q571 PolarHBondContact O-N 3.14Å
572	N	60.5	Low	77	Confident	72 Å²	72	45.5 Å²	45.5	39%	0.385	25%	0.249	S	C	.	.	S	Bend	trans	-73.2	145.6	167	-52.2	-76.6	0	0	0	108.2	Q568 S574	Q568-N572 PolarHBondContact O-N 3.06Å; Q568-N572 PolarHBondContact O-ND2 3.19Å; Q568-N572 PolarHBondContact OE1-ND2 2.85Å; N572-S574 PolarHBondContact O-N 3.09Å; N572-S574 PolarHBondContact O-OG 3.31Å
573	D	55	Low	76.6	Confident	170 Å²	170	48 Å²	48	91%	0.909	27%	0.266	S	S	*	.			trans	-69.9	49.5	173.5	-90	-39.4	0	0	0	112.2	S575	D573-S575 PolarHBondContact O-N 3.28Å
574	S	57.2	Low	76.9	Confident	28 Å²	28	46.6 Å²	46.6	20%	0.196	26%	0.26	C	S	.	.			trans	-63.6	128.8	179.8	-45.8	0	0	0	0	109.1	N572 S576	N572-S574 PolarHBondContact O-N 3.09Å; N572-S574 PolarHBondContact O-OG 3.31Å; S574-S576 PolarHBondContact O-N 3.24Å
575	S	66	Low	76.8	Confident	52 Å²	52	47 Å²	47	36%	0.364	26%	0.262	S	S	.	.	S	Bend	trans	-69.2	9.7	172.3	50.6	0	0	0	0	113.9	D573 Q580	D573-S575 PolarHBondContact O-N 3.28Å; S575-Q580 PolarHBondContact O-NE2 3.18Å
576	S	75.5	Confident	76.6	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.014	28%	0.276	C	S	.	.			trans	-130.8	118.9	-168.7	-65.7	0	0	0	0	112.7	L528 S574	L528-S576 VanDerWaalsContact C-OG 3.28Å; L528-S576 WeakPolarHBondContact CA-OG 3.35Å; L528-S576 WeakPolarHBondContact O-CB 3.41Å; L528-S576 PolarHBondContact O-OG 3.21Å; S574-S576 PolarHBondContact O-N 3.24Å
577	T	81.9	Confident	76.8	Confident	81 Å²	81	51.8 Å²	51.8	50%	0.497	29%	0.285	S	S	.	.			trans	-75.3	159.6	164.3	61.8	0	0	0	0	111.2	G579 Q580 V581	T577-G579 PolarHBondContact O-N 3.47Å; T577-G579 VanDerWaalsContact O-N 3.15Å; T577-Q580 WeakPolarHBondContact O-CB 3.31Å; T577-Q580 PolarHBondContact O-N 2.94Å; T577-Q580 PolarHBondContact OG1-N 3.19Å; T577-Q580 PolarHBondContact OG1-OE1 3.38Å; T577-V581 PolarHBondContact O-N 3.34Å
578	L	80.9	Confident	77.1	Confident	18 Å²	18	49.5 Å²	49.5	9%	0.094	27%	0.273	C	S	.	.	H	α-helix	trans	-52.7	-34.8	169.5	-179.6	63.3	0	0	0	111.8	I562 L565 H566 L569 Q580 V581 L582	I562-L578 HydrophobicContact CG2-CD2 4.42Å; L565-L578 HydrophobicContact CD2-CD1 3.82Å; L565-L578 HydrophobicContact CG-CD1 4.11Å; H566-L578 HydrophobicContact CB-CD2 4.39Å; L569-L578 HydrophobicContact CD1-CB 4.12Å; L569-L578 HydrophobicContact CD1-CD1 4.27Å; L578-Q580 PolarHBondContact O-N 3.3Å; L578-V581 PolarHBondContact O-N 3.06Å; L578-L582 HydrophobicContact CD1-CD1 4.47Å; L578-L582 HydrophobicContact CD1-CG 4.31Å; L578-L582 HydrophobicContact CG-CD1 4.05Å; L578-L582 HydrophobicContact CG-CG 4.32Å; L578-L582 WeakPolarHBondContact O-CG 3.48Å; L578-L582 PolarHBondContact O-N 2.71Å
579	G	74.6	Confident	77.3	Confident	18 Å²	18	52.1 Å²	52.1	19%	0.186	29%	0.285	C	S	.	.	H	α-helix	trans	-60.1	-42	175.1	0	0	0	0	0	113.4	T577 L582 T583	T577-G579 PolarHBondContact O-N 3.47Å; T577-G579 VanDerWaalsContact O-N 3.15Å; G579-L582 PolarHBondContact O-N 2.71Å; G579-T583 WeakPolarHBondContact O-CG2 3.34Å; G579-T583 PolarHBondContact O-N 3.37Å; G579-T583 PolarHBondContact O-OG1 3.37Å; G579-T583 VanDerWaalsContact O-OG1 3.13Å
580	Q	81.2	Confident	77.4	Confident	78 Å²	78	55.5 Å²	55.5	36%	0.364	30%	0.303	S	S	.	.	H	α-helix	trans	-63.5	-43.6	176.2	-76.6	152.1	-91.5	0	0	111.6	L528 S575 T577 L578 T583 W584	L528-Q580 HydrophobicContact CD2-CB 4.16Å; S575-Q580 PolarHBondContact O-NE2 3.18Å; T577-Q580 WeakPolarHBondContact O-CB 3.31Å; T577-Q580 PolarHBondContact O-N 2.94Å; T577-Q580 PolarHBondContact OG1-N 3.19Å; T577-Q580 PolarHBondContact OG1-OE1 3.38Å; L578-Q580 PolarHBondContact O-N 3.3Å; Q580-T583 WeakPolarHBondContact CA-OG1 3.45Å; Q580-T583 PolarHBondContact O-N 2.83Å; Q580-T583 PolarHBondContact O-OG1 3.14Å; Q580-W584 PolarHBondContact O-N 2.94Å
581	V	83.6	Confident	78	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-45.3	177	-178.1	0	0	0	0	111.1	L530 L538 L569 T577 L578 T583 W584 L585	L530-V581 HydrophobicContact CD2-CG2 4.03Å; L538-V581 HydrophobicContact CD1-CG1 3.65Å; L538-V581 HydrophobicContact CD2-CG1 3.78Å; L538-V581 HydrophobicContact CG-CG1 4.35Å; L569-V581 HydrophobicContact CD1-CG2 4.01Å; L569-V581 HydrophobicContact CD2-CG2 4.33Å; T577-V581 PolarHBondContact O-N 3.34Å; L578-V581 PolarHBondContact O-N 3.06Å; V581-T583 VanDerWaalsContact C-N 3.34Å; V581-T583 PolarHBondContact O-N 3.02Å; V581-W584 WeakPolarHBondContact O-CB 3.49Å; V581-W584 PolarHBondContact O-N 2.89Å; V581-L585 PolarHBondContact O-N 2.86Å
582	L	77.9	Confident	78.8	Confident	64 Å²	64	47 Å²	47	34%	0.335	26%	0.259	S	S	.	.	H	α-helix	trans	-63.7	-36.5	176.1	-68.2	175.7	0	0	0	112.4	I323 L578 G579 W584 L585 P586	I323-L582 HydrophobicContact CG2-CD1 4.46Å; L578-L582 HydrophobicContact CD1-CD1 4.47Å; L578-L582 HydrophobicContact CD1-CG 4.31Å; L578-L582 HydrophobicContact CG-CD1 4.05Å; L578-L582 HydrophobicContact CG-CG 4.32Å; L578-L582 WeakPolarHBondContact O-CG 3.48Å; L578-L582 PolarHBondContact O-N 2.71Å; G579-L582 PolarHBondContact O-N 2.71Å; L582-W584 PolarHBondContact O-N 2.83Å; L582-L585 HydrophobicContact CD2-CD1 4.13Å; L582-P586 VanDerWaalsContact O-CD 3.29Å; L582-P586 WeakPolarHBondContact O-CD 3.45Å
583	T	76.8	Confident	79.9	Confident	75 Å²	75	47.7 Å²	47.7	46%	0.46	26%	0.263	S	S	.	.	H	α-helix	trans	-73.8	-12.1	172.9	55.9	0	0	0	0	114.4	G579 Q580 V581	G579-T583 WeakPolarHBondContact O-CG2 3.34Å; G579-T583 PolarHBondContact O-N 3.37Å; G579-T583 PolarHBondContact O-OG1 3.37Å; G579-T583 VanDerWaalsContact O-OG1 3.13Å; Q580-T583 WeakPolarHBondContact CA-OG1 3.45Å; Q580-T583 PolarHBondContact O-N 2.83Å; Q580-T583 PolarHBondContact O-OG1 3.14Å; V581-T583 VanDerWaalsContact C-N 3.34Å; V581-T583 PolarHBondContact O-N 3.02Å
584	W	87	Confident	81.4	Confident	8 Å²	8	40.4 Å²	40.4	3%	0.03	22%	0.224	C	C	.	.	H	α-helix	trans	-89.1	-31.7	175.8	-179.9	92.3	0	0	0	112.5	L458 T461 L521 S524 F525 L528 Q580 V581 L582 P586 R587 L588	L458-W584 HydrophobicContact CD1-CH2 4.04Å; L458-W584 HydrophobicContact CD1-CZ3 4.07Å; T461-W584 HydrophobicContact CG2-CZ2 4.42Å; L521-W584 HydrophobicContact CD1-CH2 4.04Å; L521-W584 HydrophobicContact CD1-CZ2 3.37Å; L521-W584 HydrophobicContact CG-CH2 4.4Å; L521-W584 HydrophobicContact CG-CZ2 3.74Å; S524-W584 PolarHBondContact OG-NE1 3.09Å; S524-W584 VanDerWaalsContact OG-NE1 3.07Å; F525-W584 HydrophobicContact CB-CZ2 3.74Å; F525-W584 HydrophobicContact CD2-CD2 4.43Å; F525-W584 AromaticContact CD2-CE2 3.99Å; F525-W584 HydrophobicContact CD2-CE3 4.45Å; F525-W584 AromaticContact CD2-CH2 3.66Å; F525-W584 HydrophobicContact CD2-CH2 3.66Å; F525-W584 AromaticContact CD2-CZ2 3.6Å; F525-W584 HydrophobicContact CD2-CZ2 3.6Å; F525-W584 HydrophobicContact CD2-CZ3 4.09Å; F525-W584 HydrophobicContact CE2-CH2 4.34Å; F525-W584 HydrophobicContact CG-CZ2 4.12Å; L528-W584 HydrophobicContact CD1-CB 4.01Å; L528-W584 HydrophobicContact CD1-CD2 4.03Å; L528-W584 HydrophobicContact CD1-CG 3.77Å; Q580-W584 PolarHBondContact O-N 2.94Å; V581-W584 WeakPolarHBondContact O-CB 3.49Å; V581-W584 PolarHBondContact O-N 2.89Å; L582-W584 PolarHBondContact O-N 2.83Å; W584-P586 VanDerWaalsContact C-CD 3.5Å; W584-P586 VanDerWaalsContact C-N 3.34Å; W584-R587 WeakPolarHBondContact O-CA 3.5Å; W584-R587 VanDerWaalsContact O-CB 3.25Å; W584-R587 WeakPolarHBondContact O-CB 3.49Å; W584-R587 PolarHBondContact O-N 3.21Å; W584-L588 HydrophobicContact CE3-CB 4.49Å; W584-L588 HydrophobicContact CH2-CB 3.99Å; W584-L588 HydrophobicContact CH2-CD1 4.25Å; W584-L588 HydrophobicContact CH2-CD2 4.41Å; W584-L588 HydrophobicContact CH2-CG 4.46Å; W584-L588 HydrophobicContact CZ3-CB 3.86Å; W584-L588 HydrophobicContact CZ3-CD2 4.07Å; W584-L588 HydrophobicContact CZ3-CG 4.43Å
585	L	82.9	Confident	82.6	Confident	15 Å²	15	39.1 Å²	39.1	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-51	-39	178.7	-77.5	172.8	0	0	0	115.1	L538 V581 L582 R587 L588 Q589	L538-L585 HydrophobicContact CD1-CD1 4.39Å; L538-L585 HydrophobicContact CD1-CD2 4.08Å; L538-L585 HydrophobicContact CD1-CG 4.45Å; V581-L585 PolarHBondContact O-N 2.86Å; L582-L585 HydrophobicContact CD2-CD1 4.13Å; L585-R587 PolarHBondContact O-N 3.28Å; L585-L588 HydrophobicContact CD2-CD2 4.2Å; L585-L588 WeakPolarHBondContact O-CB 3.48Å; L585-L588 PolarHBondContact O-N 3.06Å; L585-L588 VanDerWaalsContact O-N 3.08Å; L585-Q589 PolarHBondContact O-N 2.95Å
586	P	83	Confident	83.2	Confident	49 Å²	49	41.2 Å²	41.2	32%	0.318	22%	0.221	S	C	.	.	H	α-helix	trans	-59.6	-24.8	172.9	-27.7	36.6	0	0	0	114.7	L582 W584 N590	L582-P586 VanDerWaalsContact O-CD 3.29Å; L582-P586 WeakPolarHBondContact O-CD 3.45Å; W584-P586 VanDerWaalsContact C-CD 3.5Å; W584-P586 VanDerWaalsContact C-N 3.34Å; P586-N590 WeakPolarHBondContact O-CB 3.46Å; P586-N590 PolarHBondContact O-N 3.05Å
587	R	87.9	Confident	83	Confident	82 Å²	82	48.3 Å²	48.3	31%	0.309	25%	0.254	S	S	.	.	H	α-helix	trans	-71.3	-43.2	172.9	-58.5	-172.7	175.4	-144.2	-11.4	111.1	D205 L521 W584 L585 Q589 N590 V591	D205-R587 IonicContact OD1-CZ 2.75Å; D205-R587 VanDerWaalsContact OD1-CZ 3.31Å; D205-R587 IonicContact OD1-NH1 3.15Å; D205-R587 PolarHBondContact OD1-NH1 3.5Å; D205-R587 IonicContact OD1-NH2 2.7Å; D205-R587 PolarHBondContact OD1-NH2 3.19Å; D205-R587 IonicContact OD2-CZ 3.75Å; D205-R587 IonicContact OD2-NH2 2.92Å; D205-R587 PolarHBondContact OD2-NH2 3.12Å; L521-R587 HydrophobicContact CD1-CB 3.9Å; W584-R587 WeakPolarHBondContact O-CA 3.5Å; W584-R587 VanDerWaalsContact O-CB 3.25Å; W584-R587 WeakPolarHBondContact O-CB 3.49Å; W584-R587 PolarHBondContact O-N 3.21Å; L585-R587 PolarHBondContact O-N 3.28Å; R587-Q589 VanDerWaalsContact C-N 3.35Å; R587-N590 PolarHBondContact O-N 3.36Å; R587-V591 PolarHBondContact O-N 2.98Å
588	L	90	Very high	82.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-46.6	173.8	179.6	64.9	0	0	0	110.8	Q454 L457 L458 L521 T542 W584 L585 N590 V591 S592	Q454-L588 HydrophobicContact CB-CD2 4.14Å; Q454-L588 HydrophobicContact CB-CG 4.26Å; L457-L588 HydrophobicContact CB-CD1 3.56Å; L458-L588 HydrophobicContact CB-CD1 4.29Å; L458-L588 HydrophobicContact CB-CD2 4.07Å; L458-L588 HydrophobicContact CD2-CD2 4.37Å; L521-L588 HydrophobicContact CD1-CB 4.4Å; L521-L588 HydrophobicContact CD2-CD1 4.01Å; T542-L588 HydrophobicContact CG2-CD2 4.12Å; W584-L588 HydrophobicContact CE3-CB 4.49Å; W584-L588 HydrophobicContact CH2-CB 3.99Å; W584-L588 HydrophobicContact CH2-CD1 4.25Å; W584-L588 HydrophobicContact CH2-CD2 4.41Å; W584-L588 HydrophobicContact CH2-CG 4.46Å; W584-L588 HydrophobicContact CZ3-CB 3.86Å; W584-L588 HydrophobicContact CZ3-CD2 4.07Å; W584-L588 HydrophobicContact CZ3-CG 4.43Å; L585-L588 HydrophobicContact CD2-CD2 4.2Å; L585-L588 WeakPolarHBondContact O-CB 3.48Å; L585-L588 PolarHBondContact O-N 3.06Å; L585-L588 VanDerWaalsContact O-N 3.08Å; L588-N590 VanDerWaalsContact C-N 3.34Å; L588-N590 PolarHBondContact O-N 3.39Å; L588-V591 PolarHBondContact O-N 2.84Å; L588-S592 VanDerWaalsContact O-CB 3.28Å; L588-S592 WeakPolarHBondContact O-CB 3.44Å; L588-S592 PolarHBondContact O-N 2.87Å
589	Q	87.6	Confident	81.3	Confident	78 Å²	78	49.4 Å²	49.4	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-61	-40.1	175.6	-70.3	173.9	-8.5	0	0	112.3	L585 R587 S592 N593	L585-Q589 PolarHBondContact O-N 2.95Å; R587-Q589 VanDerWaalsContact C-N 3.35Å; Q589-S592 WeakPolarHBondContact O-CB 3.22Å; Q589-S592 PolarHBondContact O-N 3.08Å; Q589-N593 PolarHBondContact O-N 3.27Å; Q589-N593 VanDerWaalsContact O-N 3.07Å; Q589-N593 PolarHBondContact O-ND2 2.96Å; Q589-N593 VanDerWaalsContact O-ND2 3.12Å
590	N	86.4	Confident	81	Confident	86 Å²	86	48.6 Å²	48.6	46%	0.46	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-47.9	176.1	-171.7	78.4	0	0	0	112.4	P586 R587 L588 S592 N593 I594	P586-N590 WeakPolarHBondContact O-CB 3.46Å; P586-N590 PolarHBondContact O-N 3.05Å; R587-N590 PolarHBondContact O-N 3.36Å; L588-N590 VanDerWaalsContact C-N 3.34Å; L588-N590 PolarHBondContact O-N 3.39Å; N590-S592 VanDerWaalsContact C-N 3.31Å; N590-S592 PolarHBondContact O-N 3.25Å; N590-N593 PolarHBondContact O-N 3.19Å; N590-I594 PolarHBondContact O-N 2.87Å
591	V	90.4	Very high	80.5	Confident	5 Å²	5	46.2 Å²	46.2	3%	0.03	23%	0.232	C	C	.	.	H	α-helix	trans	-69.7	-30.2	177.9	-176	0	0	0	0	111.6	L457 L514 E517 F518 L521 R587 L588 N593 I594 L595	L457-V591 HydrophobicContact CD1-CB 4.14Å; L457-V591 HydrophobicContact CD1-CG1 3.87Å; L457-V591 HydrophobicContact CD2-CG1 3.97Å; L514-V591 HydrophobicContact CD1-CG1 4.05Å; E517-V591 HydrophobicContact CB-CG2 4.04Å; F518-V591 HydrophobicContact CB-CG1 4.37Å; L521-V591 HydrophobicContact CB-CG2 4.23Å; L521-V591 HydrophobicContact CD1-CG2 4.39Å; L521-V591 HydrophobicContact CD2-CB 4.14Å; L521-V591 HydrophobicContact CD2-CG1 4.28Å; L521-V591 HydrophobicContact CD2-CG2 4.29Å; R587-V591 PolarHBondContact O-N 2.98Å; L588-V591 PolarHBondContact O-N 2.84Å; V591-N593 VanDerWaalsContact C-N 3.32Å; V591-N593 PolarHBondContact O-N 3.04Å; V591-I594 PolarHBondContact O-N 3Å; V591-L595 WeakPolarHBondContact O-CB 3.4Å; V591-L595 PolarHBondContact O-N 3.25Å
592	S	88.4	Confident	80.1	Confident	7 Å²	7	47.2 Å²	47.2	5%	0.049	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-39.4	171.1	-173.8	0	0	0	0	112.2	P453 L588 Q589 N590 L595 L596	P453-S592 WeakPolarHBondContact CB-OG 3.46Å; L588-S592 VanDerWaalsContact O-CB 3.28Å; L588-S592 WeakPolarHBondContact O-CB 3.44Å; L588-S592 PolarHBondContact O-N 2.87Å; Q589-S592 WeakPolarHBondContact O-CB 3.22Å; Q589-S592 PolarHBondContact O-N 3.08Å; N590-S592 VanDerWaalsContact C-N 3.31Å; N590-S592 PolarHBondContact O-N 3.25Å; S592-L595 PolarHBondContact O-N 3.32Å; S592-L596 WeakPolarHBondContact O-CG 3.3Å; S592-L596 PolarHBondContact O-N 2.84Å
593	N	83.3	Confident	80.4	Confident	85 Å²	85	44.2 Å²	44.2	46%	0.455	22%	0.22	S	C	.	.	H	α-helix	trans	-68.6	-37.9	175.1	-66.8	-38.1	0	0	0	112.1	Q589 N590 V591 L596 Q597	Q589-N593 PolarHBondContact O-N 3.27Å; Q589-N593 VanDerWaalsContact O-N 3.07Å; Q589-N593 PolarHBondContact O-ND2 2.96Å; Q589-N593 VanDerWaalsContact O-ND2 3.12Å; N590-N593 PolarHBondContact O-N 3.19Å; V591-N593 VanDerWaalsContact C-N 3.32Å; V591-N593 PolarHBondContact O-N 3.04Å; N593-L596 PolarHBondContact O-N 2.66Å; N593-Q597 VanDerWaalsContact O-CG 3.28Å; N593-Q597 WeakPolarHBondContact O-CG 3.42Å; N593-Q597 PolarHBondContact O-N 2.85Å
594	I	86.1	Confident	80.7	Confident	18 Å²	18	40.7 Å²	40.7	9%	0.092	20%	0.198	C	C	.	.	H	α-helix	trans	-65.7	-43.8	174.4	-62.5	169.3	0	0	0	110.3	M513 L514 E517 N590 V591 L596 Q597 C598	M513-I594 HydrophobicContact CG-CG2 4.37Å; M513-I594 HydrophobicContact SD-CG2 4.49Å; L514-I594 HydrophobicContact CB-CG2 4.07Å; L514-I594 HydrophobicContact CD1-CG2 4.27Å; E517-I594 HydrophobicContact CB-CD1 4.04Å; E517-I594 HydrophobicContact CG-CD1 3.97Å; N590-I594 PolarHBondContact O-N 2.87Å; V591-I594 PolarHBondContact O-N 3Å; I594-L596 VanDerWaalsContact C-N 3.32Å; I594-L596 PolarHBondContact O-N 2.91Å; I594-Q597 PolarHBondContact O-N 3.5Å; I594-C598 PolarHBondContact O-N 3.48Å
595	L	83.6	Confident	80.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-42.3	176.4	179.2	61.7	0	0	0	111.7	P453 L457 L514 V591 S592 Q597 C598 L601 P604	P453-L595 HydrophobicContact CB-CD2 3.8Å; P453-L595 HydrophobicContact CB-CG 4.46Å; L457-L595 HydrophobicContact CD1-CB 4.28Å; L457-L595 HydrophobicContact CD1-CD2 3.91Å; L457-L595 HydrophobicContact CD2-CD2 4.11Å; L457-L595 HydrophobicContact CG-CD2 3.79Å; L514-L595 HydrophobicContact CD1-CB 4.04Å; L514-L595 HydrophobicContact CD1-CD1 4.27Å; L514-L595 HydrophobicContact CD2-CD1 3.66Å; V591-L595 WeakPolarHBondContact O-CB 3.4Å; V591-L595 PolarHBondContact O-N 3.25Å; S592-L595 PolarHBondContact O-N 3.32Å; L595-Q597 PolarHBondContact O-N 3.45Å; L595-C598 PolarHBondContact O-N 3.26Å; L595-L601 HydrophobicContact CD1-CD2 4.45Å; L595-L601 WeakPolarHBondContact O-CD2 3.15Å; L595-P604 HydrophobicContact CD1-CG 4.18Å; L595-P604 HydrophobicContact CD2-CG 4.19Å
596	L	78.4	Confident	80.6	Confident	96 Å²	96	39.7 Å²	39.7	50%	0.503	19%	0.194	S	C	.	.	H	α-helix	trans	-68.2	-18.3	175.1	-74.4	171.5	0	0	0	114.2	W452 P453 S592 N593 I594	W452-L596 HydrophobicContact CZ2-CD2 3.91Å; P453-L596 HydrophobicContact CB-CG 4.42Å; P453-L596 HydrophobicContact CG-CD1 4.03Å; P453-L596 HydrophobicContact CG-CD2 3.83Å; P453-L596 HydrophobicContact CG-CG 3.87Å; S592-L596 WeakPolarHBondContact O-CG 3.3Å; S592-L596 PolarHBondContact O-N 2.84Å; N593-L596 PolarHBondContact O-N 2.66Å; I594-L596 VanDerWaalsContact C-N 3.32Å; I594-L596 PolarHBondContact O-N 2.91Å
597	Q	71.3	Confident	80.7	Confident	152 Å²	152	37.5 Å²	37.5	71%	0.71	18%	0.179	S	C	*	.	H	α-helix	trans	-92.6	-26.5	175.1	-71.3	168.7	-4.9	0	0	112.5	N593 I594 L595	N593-Q597 VanDerWaalsContact O-CG 3.28Å; N593-Q597 WeakPolarHBondContact O-CG 3.42Å; N593-Q597 PolarHBondContact O-N 2.85Å; I594-Q597 PolarHBondContact O-N 3.5Å; L595-Q597 PolarHBondContact O-N 3.45Å
598	C	67.9	Low	80.5	Confident	21 Å²	21	33.6 Å²	33.6	14%	0.142	17%	0.165	C	C	.	.	S	Bend	trans	-76.4	139.8	179.3	-80.5	0	0	0	0	112.4	L514 I594 L595 M600	L514-C598 HydrophobicContact CD2-CB 3.97Å; I594-C598 PolarHBondContact O-N 3.48Å; L595-C598 PolarHBondContact O-N 3.26Å; C598-M600 PolarHBondContact O-N 2.96Å
599	R	59.1	Low	79.8	Confident	101 Å²	101	35.3 Å²	35.3	38%	0.381	17%	0.172	S	C	.	.	S	Bend	trans	-71.4	5.7	178.8	-57.1	-170.9	175.7	118.7	-10.9	114.5	N103 E510	N103-R599 WeakPolarHBondContact ND2-CD 3.24Å; N103-R599 PolarHBondContact ND2-NE 2.85Å; N103-R599 PolarHBondContact OD1-NE 3.42Å; N103-R599 VanDerWaalsContact OD1-NE 3.12Å; N103-R599 PolarHBondContact OD1-NH2 2.81Å; N103-R599 VanDerWaalsContact OD1-NH2 3.12Å; E510-R599 VanDerWaalsContact CD-NH1 3.27Å; E510-R599 IonicContact OE1-NH1 2.62Å; E510-R599 PolarHBondContact OE1-NH1 3.42Å; E510-R599 VanDerWaalsContact OE2-CD 3.3Å; E510-R599 WeakPolarHBondContact OE2-CD 3.29Å; E510-R599 IonicContact OE2-CZ 2.67Å; E510-R599 IonicContact OE2-NE 3.69Å; E510-R599 IonicContact OE2-NH1 3.76Å; E510-R599 PolarHBondContact OE2-NH1 2.92Å
600	M	68.9	Low	78.9	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.175	C	C	.	.			trans	-133	60.6	-164.5	-58.8	176.9	55.4	0	0	110.7	L490 I494 V507 E510 A511 C598 Y602 V603	L490-M600 HydrophobicContact CD2-CE 4.33Å; I494-M600 HydrophobicContact CD1-CE 3.36Å; V507-M600 HydrophobicContact CG1-CE 4.39Å; E510-M600 HydrophobicContact CB-SD 3.58Å; E510-M600 VanDerWaalsContact CB-SD 3.58Å; A511-M600 HydrophobicContact CB-CE 3.9Å; A511-M600 HydrophobicContact CB-SD 3.63Å; C598-M600 PolarHBondContact O-N 2.96Å; M600-Y602 HydrophobicContact CB-CE1 4.23Å; M600-Y602 HydrophobicContact CB-CE2 3.92Å; M600-Y602 HydrophobicContact CE-CE2 3.76Å; M600-Y602 HydrophobicContact CG-CE2 4.35Å; M600-Y602 WeakPolarHBondContact CG-OH 3.29Å; M600-Y602 PolarHBondContact O-N 3.41Å; M600-V603 HydrophobicContact CB-CG2 3.63Å; M600-V603 HydrophobicContact CE-CG2 4.03Å; M600-V603 WeakPolarHBondContact O-CB 3.32Å; M600-V603 WeakPolarHBondContact O-CG2 3.49Å; M600-V603 PolarHBondContact O-N 3.27Å
601	L	69.3	Low	77.5	Confident	28 Å²	28	34.9 Å²	34.9	15%	0.147	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-21	-176.3	-55.3	-177.6	0	0	0	113.9	F92 W452 L595 V603	F92-L601 HydrophobicContact CE2-CD1 3.84Å; F92-L601 HydrophobicContact CZ-CD1 4.26Å; W452-L601 HydrophobicContact CH2-CB 4.23Å; W452-L601 HydrophobicContact CH2-CD1 4.01Å; W452-L601 HydrophobicContact CH2-CD2 4.17Å; W452-L601 HydrophobicContact CH2-CG 4.36Å; W452-L601 HydrophobicContact CZ2-CD1 4.28Å; L595-L601 HydrophobicContact CD1-CD2 4.45Å; L595-L601 WeakPolarHBondContact O-CD2 3.15Å; L601-V603 VanDerWaalsContact C-N 3.32Å
602	Y	76.1	Confident	75.8	Confident	21 Å²	21	40 Å²	40	8%	0.082	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-9.9	176.8	51.1	-105.4	0	0	0	114.6	L415 I494 M600 F605 M606	L415-Y602 HydrophobicContact CB-CE1 4.4Å; L415-Y602 HydrophobicContact CD1-CE1 4.31Å; L415-Y602 HydrophobicContact CD2-CD1 4.28Å; L415-Y602 HydrophobicContact CD2-CE1 3.79Å; L415-Y602 HydrophobicContact CD2-CE2 4.42Å; L415-Y602 HydrophobicContact CG-CE1 4.39Å; I494-Y602 HydrophobicContact CD1-CE2 4.38Å; I494-Y602 HydrophobicContact CG1-CE2 4.45Å; M600-Y602 HydrophobicContact CB-CE1 4.23Å; M600-Y602 HydrophobicContact CB-CE2 3.92Å; M600-Y602 HydrophobicContact CE-CE2 3.76Å; M600-Y602 HydrophobicContact CG-CE2 4.35Å; M600-Y602 WeakPolarHBondContact CG-OH 3.29Å; M600-Y602 PolarHBondContact O-N 3.41Å; Y602-F605 WeakPolarHBondContact O-CB 3.29Å; Y602-F605 PolarHBondContact O-N 3.29Å; Y602-M606 HydrophobicContact CD2-CG 3.94Å; Y602-M606 HydrophobicContact CD2-SD 3.32Å; Y602-M606 WeakPolarHBondContact CD2-SD 3.49Å; Y602-M606 HydrophobicContact CE2-SD 3.71Å; Y602-M606 HydrophobicContact CG-SD 4.18Å; Y602-M606 PolarHBondContact O-N 3.36Å
603	V	83.1	Confident	73.3	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-52.6	-47.3	-173.7	162	0	0	0	0	114	L490 A511 L514 V515 M600 L601 F605 M606 L607	L490-V603 HydrophobicContact CD1-CG2 4.05Å; L490-V603 HydrophobicContact CD2-CG1 4.18Å; L490-V603 HydrophobicContact CD2-CG2 3.79Å; A511-V603 HydrophobicContact CB-CG2 4.07Å; L514-V603 HydrophobicContact CD2-CB 3.79Å; L514-V603 HydrophobicContact CD2-CG1 3.81Å; L514-V603 HydrophobicContact CD2-CG2 4.23Å; L514-V603 HydrophobicContact CG-CG1 4.12Å; V515-V603 HydrophobicContact CG2-CG1 4.11Å; M600-V603 HydrophobicContact CB-CG2 3.63Å; M600-V603 HydrophobicContact CE-CG2 4.03Å; M600-V603 WeakPolarHBondContact O-CB 3.32Å; M600-V603 WeakPolarHBondContact O-CG2 3.49Å; M600-V603 PolarHBondContact O-N 3.27Å; L601-V603 VanDerWaalsContact C-N 3.32Å; V603-F605 VanDerWaalsContact C-N 3.32Å; V603-F605 PolarHBondContact O-N 3.09Å; V603-M606 PolarHBondContact O-N 3.08Å; V603-L607 HydrophobicContact CG1-CD1 3.62Å; V603-L607 HydrophobicContact CG1-CG 4.46Å; V603-L607 WeakPolarHBondContact O-CB 3.5Å; V603-L607 WeakPolarHBondContact O-CD1 3.4Å; V603-L607 VanDerWaalsContact O-CG 3.24Å; V603-L607 WeakPolarHBondContact O-CG 3.3Å; V603-L607 PolarHBondContact O-N 3.17Å
604	P	84.3	Confident	71	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-44.1	177.4	-24.2	35.2	0	0	0	112.1	V456 L457 T460 L595 L607 S608	V456-P604 HydrophobicContact CG1-CB 3.79Å; V456-P604 HydrophobicContact CG1-CG 3.93Å; L457-P604 HydrophobicContact CD2-CB 4.46Å; L457-P604 HydrophobicContact CD2-CG 3.81Å; T460-P604 HydrophobicContact CG2-CB 3.93Å; T460-P604 WeakPolarHBondContact CG2-O 3.09Å; L595-P604 HydrophobicContact CD1-CG 4.18Å; L595-P604 HydrophobicContact CD2-CG 4.19Å; P604-L607 PolarHBondContact O-N 2.99Å; P604-S608 PolarHBondContact O-N 3.17Å; P604-S608 PolarHBondContact O-OG 3.44Å; P604-S608 VanDerWaalsContact O-OG 3.09Å
605	F	83.7	Confident	68.2	Low	1 Å²	1	58.1 Å²	58.1	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-64.3	-47.3	179.9	-67.3	-92.9	0	0	0	112.6	L397 I398 L400 I422 V456 Y602 V603 L607 S608 Q609	L397-F605 WeakPolarHBondContact O-CE1 3.38Å; I398-F605 WeakPolarHBondContact O-CD1 3.5Å; L400-F605 HydrophobicContact CD1-CB 3.76Å; L400-F605 HydrophobicContact CD2-CB 4.02Å; L400-F605 HydrophobicContact CD2-CD1 3.94Å; L400-F605 HydrophobicContact CD2-CG 4.19Å; L400-F605 HydrophobicContact CG-CB 3.81Å; L400-F605 HydrophobicContact CG-CD1 4.4Å; L400-F605 HydrophobicContact CG-CG 4.48Å; I422-F605 HydrophobicContact CB-CE1 4.45Å; I422-F605 HydrophobicContact CB-CE2 4.14Å; I422-F605 HydrophobicContact CB-CZ 4.02Å; I422-F605 HydrophobicContact CD1-CB 4.39Å; I422-F605 HydrophobicContact CD1-CD1 4.4Å; I422-F605 HydrophobicContact CD1-CD2 3.4Å; I422-F605 HydrophobicContact CD1-CE2 3.62Å; I422-F605 HydrophobicContact CD1-CG 3.82Å; I422-F605 HydrophobicContact CD1-CZ 4.25Å; I422-F605 HydrophobicContact CG1-CD1 3.87Å; I422-F605 HydrophobicContact CG1-CD2 3.67Å; I422-F605 HydrophobicContact CG1-CE1 3.8Å; I422-F605 HydrophobicContact CG1-CE2 3.57Å; I422-F605 HydrophobicContact CG1-CG 3.82Å; I422-F605 HydrophobicContact CG1-CZ 3.65Å; I422-F605 HydrophobicContact CG2-CD2 4.42Å; I422-F605 HydrophobicContact CG2-CE1 4.32Å; I422-F605 HydrophobicContact CG2-CE2 3.51Å; I422-F605 HydrophobicContact CG2-CZ 3.46Å; I422-F605 VanDerWaalsContact CG2-CZ 3.46Å; V456-F605 HydrophobicContact CB-CE2 4.14Å; V456-F605 HydrophobicContact CB-CZ 4.33Å; V456-F605 HydrophobicContact CG1-CD2 4Å; V456-F605 HydrophobicContact CG1-CE2 3.32Å; V456-F605 HydrophobicContact CG1-CZ 3.88Å; V456-F605 HydrophobicContact CG2-CE2 3.64Å; V456-F605 HydrophobicContact CG2-CZ 3.58Å; Y602-F605 WeakPolarHBondContact O-CB 3.29Å; Y602-F605 PolarHBondContact O-N 3.29Å; V603-F605 VanDerWaalsContact C-N 3.32Å; V603-F605 PolarHBondContact O-N 3.09Å; F605-L607 PolarHBondContact O-N 3.21Å; F605-S608 WeakPolarHBondContact CA-OG 3.09Å; F605-S608 PolarHBondContact O-N 3.23Å; F605-S608 VanDerWaalsContact O-N 3.07Å; F605-S608 PolarHBondContact O-OG 3.38Å; F605-Q609 PolarHBondContact O-N 3.26Å; F605-Q609 VanDerWaalsContact O-N 3.16Å
606	M	83	Confident	65.6	Low	2 Å²	2	64 Å²	64	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-64.7	-26.7	177.6	-67.8	-164.4	74	0	0	112.5	L400 L490 R493 I494 A497 Y602 V603	L400-M606 HydrophobicContact CD1-CG 4.22Å; L490-M606 HydrophobicContact CD1-CB 4.01Å; R493-M606 HydrophobicContact CB-CE 3.89Å; R493-M606 WeakPolarHBondContact CD-O 3.49Å; R493-M606 PolarHBondContact NH1-O 3.33Å; R493-M606 VanDerWaalsContact O-CE 3.27Å; R493-M606 WeakPolarHBondContact O-CE 3.49Å; I494-M606 HydrophobicContact CB-CE 4.49Å; I494-M606 HydrophobicContact CG1-CE 3.87Å; I494-M606 HydrophobicContact CG1-SD 3.99Å; A497-M606 HydrophobicContact CB-CE 4.14Å; Y602-M606 HydrophobicContact CD2-CG 3.94Å; Y602-M606 HydrophobicContact CD2-SD 3.32Å; Y602-M606 WeakPolarHBondContact CD2-SD 3.49Å; Y602-M606 HydrophobicContact CE2-SD 3.71Å; Y602-M606 HydrophobicContact CG-SD 4.18Å; Y602-M606 PolarHBondContact O-N 3.36Å; V603-M606 PolarHBondContact O-N 3.08Å
607	L	86.1	Confident	63.3	Low	3 Å²	3	65.6 Å²	65.6	2%	0.016	34%	0.336	C	S	.	.	H	α-helix	trans	-78.7	-27.9	172.4	-69.4	166.9	0	0	0	112.7	W478 N486 L490 R493 V515 F518 V603 P604 F605	W478-L607 HydrophobicContact CE3-CB 4.36Å; W478-L607 HydrophobicContact CE3-CD2 4.28Å; W478-L607 HydrophobicContact CH2-CD1 4.23Å; W478-L607 HydrophobicContact CZ3-CB 4.02Å; W478-L607 HydrophobicContact CZ3-CD1 3.73Å; W478-L607 HydrophobicContact CZ3-CD2 3.82Å; W478-L607 HydrophobicContact CZ3-CG 4.05Å; N486-L607 WeakPolarHBondContact O-CD2 3.31Å; L490-L607 HydrophobicContact CB-CD2 3.96Å; R493-L607 PolarHBondContact NH1-O 2.76Å; V515-L607 HydrophobicContact CG2-CD1 4.49Å; F518-L607 HydrophobicContact CD1-CD1 4Å; F518-L607 HydrophobicContact CE1-CD1 4.3Å; V603-L607 HydrophobicContact CG1-CD1 3.62Å; V603-L607 HydrophobicContact CG1-CG 4.46Å; V603-L607 WeakPolarHBondContact O-CB 3.5Å; V603-L607 WeakPolarHBondContact O-CD1 3.4Å; V603-L607 VanDerWaalsContact O-CG 3.24Å; V603-L607 WeakPolarHBondContact O-CG 3.3Å; V603-L607 PolarHBondContact O-N 3.17Å; P604-L607 PolarHBondContact O-N 2.99Å; F605-L607 PolarHBondContact O-N 3.21Å
608	S	83.7	Confident	61.5	Low	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-87.4	-10.1	176.8	46.5	0	0	0	0	116.4	Y463 P604 F605	Y463-S608 WeakPolarHBondContact CE1-O 3.22Å; Y463-S608 PolarHBondContact OH-O 3.15Å; P604-S608 PolarHBondContact O-N 3.17Å; P604-S608 PolarHBondContact O-OG 3.44Å; P604-S608 VanDerWaalsContact O-OG 3.09Å; F605-S608 WeakPolarHBondContact CA-OG 3.09Å; F605-S608 PolarHBondContact O-N 3.23Å; F605-S608 VanDerWaalsContact O-N 3.07Å; F605-S608 PolarHBondContact O-OG 3.38Å
609	Q	76	Confident	59.6	Low	35 Å²	35	67.3 Å²	67.3	16%	0.164	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-59.5	145	177.1	-71.2	-178.1	-79.5	0	0	111.6	L400 R493 F605	L400-Q609 HydrophobicContact CB-CG 4.25Å; L400-Q609 PolarHBondContact O-NE2 2.84Å; R493-Q609 PolarHBondContact NH1-O 3.47Å; R493-Q609 PolarHBondContact NH2-O 3.01Å; F605-Q609 PolarHBondContact O-N 3.26Å; F605-Q609 VanDerWaalsContact O-N 3.16Å
610	P	67.1	Low	58.2	Low	64 Å²	64	69.2 Å²	69.2	42%	0.416	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-70.7	157.9	153.2	32.6	-33.3	0	0	0	109.3
611	E	58.1	Low	56.4	Low	91 Å²	91	74.8 Å²	74.8	43%	0.425	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-61	142.1	169.5	-68	-145.4	134.5	0	0	110.9	D477 K492 V613	D477-E611 WeakPolarHBondContact OD2-CG 3.4Å; K492-E611 IonicContact NZ-OE1 3.13Å; K492-E611 PolarHBondContact NZ-OE1 3.09Å; E611-V613 PolarHBondContact O-N 3.3Å
612	P	53.3	Low	54.4	Low	112 Å²	112	81.4 Å²	81.4	73%	0.727	45%	0.451	S	S	*	.			trans	-68.1	105.1	168.5	29.2	-32.2	0	0	0	108.5	I614	P612-I614 PolarHBondContact O-N 3.32Å
613	V	36.9	Very low	52.3	Low	121 Å²	121	86.8 Å²	86.8	73%	0.733	49%	0.486	S	S	*	.			trans	-58.2	107	172.3	178.3	0	0	0	0	108.3	E611 R615	E611-V613 PolarHBondContact O-N 3.3Å; V613-R615 VanDerWaalsContact C-N 3.34Å; V613-R615 HydrophobicContact CG1-CG 4.33Å; V613-R615 PolarHBondContact O-N 3.08Å
614	I	35.1	Very low	49.9	Very low	146 Å²	146	91.7 Å²	91.7	75%	0.749	52%	0.521	S	S	*	.			trans	-66.5	96.7	175.2	-58.3	175.6	0	0	0	107	P612	P612-I614 PolarHBondContact O-N 3.32Å
615	R	28.1	Very low	47.7	Very low	224 Å²	224	99.1 Å²	99.1	85%	0.845	56%	0.559	S	S	*	*			trans	-84.7	106.7	164.4	-66.6	-170.9	-178.5	-149.6	0.7	107	V613	V613-R615 VanDerWaalsContact C-N 3.34Å; V613-R615 HydrophobicContact CG1-CG 4.33Å; V613-R615 PolarHBondContact O-N 3.08Å
616	D	28.6	Very low	45.3	Very low	123 Å²	123	103.9 Å²	103.9	66%	0.658	59%	0.593	S	S	*	*			trans	-53.5	134.9	169.6	-70.5	-54.5	0	0	0	109.7	V618	D616-V618 HydrophobicContact CB-CG2 4.23Å; D616-V618 PolarHBondContact O-N 3.31Å
617	P	29.2	Very low	43	Very low	130 Å²	130	109.3 Å²	109.3	84%	0.844	63%	0.628	S	S	*	*			trans	-77.4	69.4	-178.7	32.3	-35.6	0	0	0	110.7	S619	P617-S619 VanDerWaalsContact C-N 3.32Å; P617-S619 PolarHBondContact O-N 3.23Å
618	V	33.7	Very low	40.4	Very low	117 Å²	117	115.8 Å²	115.8	71%	0.709	67%	0.667	S	S	*	*			trans	-70.4	89.2	176.3	-176.7	0	0	0	0	109.8	D616 V620	D616-V618 HydrophobicContact CB-CG2 4.23Å; D616-V618 PolarHBondContact O-N 3.31Å; V618-V620 PolarHBondContact O-N 2.96Å
619	S	29	Very low	38.2	Very low	93 Å²	93	122.3 Å²	122.3	65%	0.65	71%	0.708	S	S	*	*			trans	15	88.6	158.5	60.4	0	0	0	0	117.4	P617 C621	P617-S619 VanDerWaalsContact C-N 3.32Å; P617-S619 PolarHBondContact O-N 3.23Å; S619-C621 PolarHBondContact O-N 3.03Å; S619-C621 VanDerWaalsContact O-N 3.08Å
620	V	28.6	Very low	36.3	Very low	141 Å²	141	124.2 Å²	124.2	86%	0.855	73%	0.729	S	S	*	*			trans	-81.3	73.6	156.9	-175.2	0	0	0	0	108.7	V618	V618-V620 PolarHBondContact O-N 2.96Å
621	C	30.8	Very low	34.9	Very low	118 Å²	118	127.4 Å²	127.4	80%	0.797	74%	0.743	S	S	*	*			trans	-76	134.4	162	-85.1	0	0	0	0	109	S619	S619-C621 PolarHBondContact O-N 3.03Å; S619-C621 VanDerWaalsContact O-N 3.08Å
622	Q	28.7	Very low	33.8	Very low	167 Å²	167	129 Å²	129	78%	0.78	75%	0.754	S	S	*	*			trans	-85.1	173.8	-174.8	-66.1	176.3	-28.6	0	0	112.4
623	T	30.4	Very low	32.9	Very low	133 Å²	133	130.7 Å²	130.7	82%	0.816	76%	0.757	S	S	*	*			trans	76.2	127	159.8	39.9	0	0	0	0	121.2
624	S	32.7	Very low	32.9	Very low	104 Å²	104	129.6 Å²	129.6	73%	0.727	76%	0.755	S	S	*	*			trans	81.8	109	148.8	53.3	0	0	0	0	122.9
625	L	37.7	Very low	32.8	Very low	157 Å²	157	127.5 Å²	127.5	82%	0.822	75%	0.752	S	S	*	*				67.1	88.1	127.5	-59.2	168.6	0	0	0	120.9
626	S	34.7	Very low	33.3	Very low	100 Å²	100	123.1 Å²	123.1	70%	0.699	75%	0.75	S	S	*	*				30.8	154.2	115.2	63.1	0	0	0	0	122.7
627	P	35.3	Very low	33.6	Very low	117 Å²	117	121.1 Å²	121.1	76%	0.76	75%	0.751	S	S	*	*			cis	-142.9	169.6	-30.4	39.9	-22.1	0	0	0	116
628	V	31.1	Very low	34	Very low	138 Å²	138	123.5 Å²	123.5	84%	0.836	75%	0.748	S	S	*	*			trans	-1.3	117.3	159.2	-172.8	0	0	0	0	120.4
629	T	38	Very low	34.1	Very low	138 Å²	138	125.2 Å²	125.2	85%	0.847	75%	0.748	S	S	*	*			trans	-156.3	169.3	130	46.8	0	0	0	0	108.3
630	A	34.5	Very low	34.7	Very low	74 Å²	74	128 Å²	128	61%	0.612	75%	0.75	S	S	*	*			cis	-171.1	169.5	-45.6	0	0	0	0	0	107.6
631	N	37.3	Very low	35.2	Very low	132 Å²	132	127.5 Å²	127.5	71%	0.706	75%	0.748	S	S	*	*			trans	77.2	108.6	163.3	-64.6	66.3	0	0	0	121.1
632	D	35.7	Very low	35.6	Very low	125 Å²	125	126.1 Å²	126.1	67%	0.668	75%	0.745	S	S	*	*				84.7	132.2	114.4	-52.2	-12.1	0	0	0	124.9
633	D	35.5	Very low	36.1	Very low	147 Å²	147	123.6 Å²	123.6	79%	0.786	75%	0.746	S	S	*	*			trans	61.4	123.8	134.7	-70.2	-2.4	0	0	0	121.7
634	S	35.9	Very low	36.8	Very low	98 Å²	98	123 Å²	123	69%	0.685	74%	0.744	S	S	*	*			cis	174.1	-179.6	24.9	50.1	0	0	0	0	113
635	C	32.7	Very low	37	Very low	101 Å²	101	125.4 Å²	125.4	68%	0.682	75%	0.748	S	S	*	*			trans	79.6	101.9	144.1	-78.9	0	0	0	0	123.3
636	T	38.2	Very low	37	Very low	132 Å²	132	124.1 Å²	124.1	81%	0.81	74%	0.738	S	S	*	*				59.4	154.1	119.2	59.7	0	0	0	0	122.4
637	A	35.9	Very low	37.1	Very low	81 Å²	81	128.8 Å²	128.8	67%	0.669	74%	0.74	S	S	*	*			cis	-176	-176	-20.3	0	0	0	0	0	109.4
638	K	38.2	Very low	37.2	Very low	181 Å²	181	128.2 Å²	128.2	79%	0.787	74%	0.739	S	S	*	*			trans	81.3	116.7	175.4	-54.7	173.1	-178.5	176.8	0	114.2
639	E	35.8	Very low	37.5	Very low	152 Å²	152	127 Å²	127	71%	0.71	74%	0.737	S	S	*	*			cis	84.1	118.2	45.1	-67	178.5	109.7	0	0	114.6
640	H	40.5	Very low	37.3	Very low	152 Å²	152	125.2 Å²	125.2	70%	0.704	74%	0.736	S	S	*	*				176.8	135.1	98.3	-91	-66.3	0	0	0	113.2
641	T	39.8	Very low	36.9	Very low	130 Å²	130	127.8 Å²	127.8	80%	0.798	75%	0.748	S	S	*	*			trans	45.9	143.4	144.7	60.5	0	0	0	0	121.8
642	A	39.3	Very low	36.7	Very low	89 Å²	89	126.5 Å²	126.5	74%	0.736	76%	0.755	S	S	*	*			cis	-170.9	-170.2	-11.6	0	0	0	0	0	106.4
643	S	39.9	Very low	36.4	Very low	114 Å²	114	126 Å²	126	80%	0.797	76%	0.762	S	S	*	*			cis	-152.7	167.4	10.4	-70.7	0	0	0	0	110.2
644	P	43.1	Very low	36.3	Very low	120 Å²	120	127 Å²	127	78%	0.779	77%	0.765	S	S	*	*			trans	-117.3	174.4	-172	42.4	-33.3	0	0	0	116.2
645	L	38.2	Very low	35.9	Very low	155 Å²	155	127.1 Å²	127.1	81%	0.812	77%	0.772	S	S	*	*			trans	168	144.3	153.6	-90.7	159	0	0	0	108.2
646	E	37.1	Very low	36	Very low	130 Å²	130	126.9 Å²	126.9	61%	0.607	78%	0.777	S	S	*	*			cis	-166	166.7	-20.9	-145.9	-174	-154.4	0	0	110.5
647	R	37.2	Very low	35.5	Very low	199 Å²	199	127 Å²	127	75%	0.751	78%	0.778	S	S	*	*			trans	70.8	105.3	162.8	-65	170.8	-152.6	-122.4	-12.3	117.8
648	S	37.4	Very low	35.3	Very low	104 Å²	104	127.4 Å²	127.4	73%	0.727	78%	0.782	S	S	*	*				77.6	139.7	76.8	75.8	0	0	0	0	114.2
649	S	36.6	Very low	35	Very low	114 Å²	114	126 Å²	126	80%	0.797	78%	0.783	S	S	*	*			cis	-173.8	165.1	2.3	30.3	0	0	0	0	108
650	A	34.9	Very low	34.7	Very low	100 Å²	100	124.8 Å²	124.8	83%	0.826	79%	0.79	S	S	*	*			cis	-157.9	174.9	-9.5	0	0	0	0	0	109.2
651	C	26.1	Very low	34.8	Very low	128 Å²	128	123.8 Å²	123.8	87%	0.865	79%	0.794	S	S	*	*			trans	-88	158.4	-177.9	-54.5	0	0	0	0	114.4
652	A	33.4	Very low	34.5	Very low	105 Å²	105	125.1 Å²	125.1	87%	0.868	80%	0.796	S	S	*	*			trans	-152.8	114.4	153.5	0	0	0	0	0	110.5
653	S	29	Very low	34.8	Very low	114 Å²	114	128.9 Å²	128.9	80%	0.797	80%	0.802	S	S	*	*			trans	-93.2	147.6	-180	-46.9	0	0	0	0	111.5
654	I	33	Very low	34.7	Very low	168 Å²	168	130.7 Å²	130.7	86%	0.862	80%	0.803	S	S	*	*			trans	-134.5	111.2	147.3	-58.5	-177.5	0	0	0	108.5
655	A	28.1	Very low	35	Very low	101 Å²	101	134.5 Å²	134.5	84%	0.835	83%	0.833	S	S	*	*			trans	-118.2	135	152.5	0	0	0	0	0	106.2
656	A	33.6	Very low	34.8	Very low	95 Å²	95	133.5 Å²	133.5	79%	0.785	83%	0.834	S	S	*	*			trans	-143.4	122.9	176	0	0	0	0	0	108.5
657	T	28.9	Very low	34.7	Very low	134 Å²	134	133.7 Å²	133.7	82%	0.822	85%	0.846	S	S	*	*			trans	-106.9	146.1	-178.5	47.5	0	0	0	0	110.4
658	A	30.6	Very low	34.5	Very low	91 Å²	91	130.1 Å²	130.1	75%	0.752	85%	0.851	S	S	*	*			trans	58.9	132.4	159.3	0	0	0	0	0	118.1
659	D	33.7	Very low	34.4	Very low	151 Å²	151	131.6 Å²	131.6	81%	0.807	86%	0.859	S	S	*	*				-156	147.5	103.7	-116.4	-26.1	0	0	0	111
660	C	29	Very low	34.2	Very low	127 Å²	127	132.7 Å²	132.7	86%	0.858	86%	0.862	S	S	*	*			trans	-126.1	121.4	168.8	-69.6	0	0	0	0	107.7
661	T	41.1	Very low	34.2	Very low	130 Å²	130	134.9 Å²	134.9	80%	0.798	87%	0.865	S	S	*	*			trans	-151.2	134.2	169	19.2	0	0	0	0	110.2
662	D	35.2	Very low	34.8	Very low	158 Å²	158	135.4 Å²	135.4	85%	0.845	87%	0.865	S	S	*	*			trans	-78.7	150.6	176.2	-51.8	-83.6	0	0	0	112
663	I	45	Very low	34.9	Very low	168 Å²	168	137.7 Å²	137.7	86%	0.862	87%	0.865	S	S	*	*			trans	-139.9	119.8	154.1	-60.8	-175.7	0	0	0	108.1
664	D	37	Very low	35.4	Very low	153 Å²	153	139.7 Å²	139.7	82%	0.818	87%	0.87	S	S	*	*			trans	-70.2	135.5	171	-78	-59.9	0	0	0	112.4
665	S	49.1	Very low	35.6	Very low	200 Å²	200	137.1 Å²	137.1	100%	1.399	87%	0.871	S	S	*	*			trans	-171.3	0	150.5	-77.7	0	0	0	0	111.6

Retrieved 665 of 665 residues in 259.2 ms (Link to these results)

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