A0A024R2I8_HUMAN Loading...

Thyroid hormone nuclear receptor beta variant 1

AlphaFold DB (P10828), UniProt , Accession A0A024R2I8, Species HUMAN (Homo sapiens, Human), Gene NR1A2, Length 461 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	31	Very low	31.4	Very low	244 Å²	244	151.2 Å²	151.2	100%	1.202	86%	0.864	S	S	*	*				0	144.5	0	-78.6	170.9	160.6	0	0	107.8
2	T	30.6	Very low	31	Very low	141 Å²	141	148.8 Å²	148.8	87%	0.865	86%	0.855	S	S	*	*			trans	-46.6	168.9	-165.8	29	0	0	0	0	119
3	P	44	Very low	30.8	Very low	111 Å²	111	143.7 Å²	143.7	72%	0.721	84%	0.841	S	S	*	*			trans	-107.5	160.9	-138.4	41.1	-34.1	0	0	0	114
4	N	34.3	Very low	30.5	Very low	169 Å²	169	151.1 Å²	151.1	90%	0.904	85%	0.848	S	S	*	*			trans	-111.9	117.7	162.5	-87	-15.5	0	0	0	110.1
5	S	33.4	Very low	30.6	Very low	106 Å²	106	150.4 Å²	150.4	74%	0.741	84%	0.842	S	S	*	*			trans	-62.7	142.2	179.6	46.6	0	0	0	0	113.2
6	M	23.4	Very low	30.5	Very low	184 Å²	184	152.4 Å²	152.4	91%	0.906	84%	0.839	S	S	*	*			trans	-57.5	132.5	158.6	-69.6	165.7	165.6	0	0	110.9
7	T	33.3	Very low	30.5	Very low	137 Å²	137	151 Å²	151	84%	0.84	84%	0.839	S	S	*	*			trans	-132.6	107.6	145.7	45.6	0	0	0	0	108.3
8	E	25.6	Very low	30.3	Very low	174 Å²	174	153.8 Å²	153.8	81%	0.813	84%	0.84	S	S	*	*			trans	-62.4	152.1	160.8	-75.4	174.2	138.2	0	0	109.9
9	N	33.9	Very low	29.9	Very low	149 Å²	149	155.5 Å²	155.5	80%	0.797	84%	0.842	S	S	*	*			trans	86.7	69.3	174	-49.7	-29.3	0	0	0	115.6	L11	N9-L11 PolarHBondContact O-N 2.8Å
10	G	26.8	Very low	29.8	Very low	82 Å²	82	153.4 Å²	153.4	85%	0.845	84%	0.838	S	S	*	*			trans	-69.7	95.6	154.3	0	0	0	0	0	110.6
11	L	28.7	Very low	29.7	Very low	166 Å²	166	151 Å²	151	87%	0.869	83%	0.83	S	S	*	*			trans	-128.1	119.9	159.8	-77.4	171.3	0	0	0	108.5	N9	N9-L11 PolarHBondContact O-N 2.8Å
12	T	27.6	Very low	29.5	Very low	123 Å²	123	147.6 Å²	147.6	76%	0.755	82%	0.817	S	S	*	*			trans	-68.3	133.9	-175.7	47.7	0	0	0	0	111.5	W14	T12-W14 PolarHBondContact O-N 3.42Å
13	A	27.3	Very low	29.6	Very low	82 Å²	82	150.9 Å²	150.9	68%	0.678	81%	0.813	S	S	*	*			trans	-55	100.6	177.3	0	0	0	0	0	112.6	D15	A13-D15 VanDerWaalsContact C-N 3.3Å; A13-D15 PolarHBondContact O-N 3.49Å
14	W	27.2	Very low	28.7	Very low	247 Å²	247	155.3 Å²	155.3	94%	0.936	82%	0.824	S	S	*	*			trans	-87.9	85.2	148.2	-74.4	78.5	0	0	0	106.5	T12 K16	T12-W14 PolarHBondContact O-N 3.42Å; W14-K16 PolarHBondContact O-N 3.38Å
15	D	31.9	Very low	28.4	Very low	141 Å²	141	154 Å²	154	75%	0.754	81%	0.812	S	S	*	*			trans	-58.5	127.7	174.8	-90.2	-46.5	0	0	0	111.1	A13	A13-D15 VanDerWaalsContact C-N 3.3Å; A13-D15 PolarHBondContact O-N 3.49Å
16	K	29.7	Very low	28.1	Very low	182 Å²	182	155.4 Å²	155.4	79%	0.791	81%	0.812	S	S	*	*			trans	0.6	151	158.6	-71	173.4	177.3	174.5	0	120.3	W14	W14-K16 PolarHBondContact O-N 3.38Å
17	P	29.5	Very low	28.4	Very low	129 Å²	129	155.5 Å²	155.5	84%	0.838	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-73.6	130.1	-166.5	-5.2	23.3	0	0	0	112.1
18	K	27.9	Very low	28.1	Very low	201 Å²	201	156.2 Å²	156.2	87%	0.874	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-76.1	127.5	168.8	-76.8	-177.6	176.9	177.1	0	110.4
19	H	22.9	Very low	28.4	Very low	186 Å²	186	151.1 Å²	151.1	86%	0.861	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-64.8	122.5	171.1	-161	61.1	0	0	0	109.6
20	C	27.8	Very low	28	Very low	113 Å²	113	150.6 Å²	150.6	76%	0.764	77%	0.773	S	S	*	*			trans	-110	135.8	171.3	-93.9	0	0	0	0	109.7
21	P	27.6	Very low	28.1	Very low	105 Å²	105	150.3 Å²	150.3	68%	0.682	77%	0.771	S	S	*	*			trans	-82	147.7	-167	31.9	-33.6	0	0	0	113.2	R23	P21-R23 PolarHBondContact O-N 3.43Å
22	D	26.4	Very low	28.2	Very low	171 Å²	171	145.3 Å²	145.3	91%	0.914	74%	0.744	S	S	*	*			trans	-56.7	110.9	170.9	-69.6	-44.5	0	0	0	110.8
23	R	31.5	Very low	28.4	Very low	210 Å²	210	143.5 Å²	143.5	79%	0.792	74%	0.736	S	S	*	*			trans	-128.5	120.3	159.4	-80	-170.7	173	-171.2	-2.1	108.1	P21 H25	P21-R23 PolarHBondContact O-N 3.43Å; R23-H25 PolarHBondContact O-CD2 3Å; R23-H25 PolarHBondContact O-N 2.71Å
24	E	26.3	Very low	28.7	Very low	205 Å²	205	147.9 Å²	147.9	96%	0.958	74%	0.742	S	S	*	*			trans	-52.3	104.1	168.2	-73.6	173.6	142.8	0	0	108.7	D26	E24-D26 PolarHBondContact O-N 2.84Å
25	H	28	Very low	29	Very low	140 Å²	140	140.4 Å²	140.4	65%	0.648	73%	0.733	S	S	*	*			trans	-82.5	113	173.5	-78.8	-77.3	0	0	0	108.5	R23 W27	R23-H25 PolarHBondContact O-CD2 3Å; R23-H25 PolarHBondContact O-N 2.71Å; H25-W27 PolarHBondContact O-N 2.75Å; H25-W27 VanDerWaalsContact O-N 3.17Å; H25-W27 PolarHBondContact O-NE1 3.09Å
26	D	26.1	Very low	29.1	Very low	136 Å²	136	136.4 Å²	136.4	73%	0.727	72%	0.716	S	S	*	*			trans	-63.4	106	163.5	-169.6	27.5	0	0	0	107.8	E24 K28	E24-D26 PolarHBondContact O-N 2.84Å; D26-K28 VanDerWaalsContact C-N 3.34Å; D26-K28 PolarHBondContact O-N 3.47Å
27	W	29.5	Very low	29.1	Very low	187 Å²	187	133.6 Å²	133.6	71%	0.708	71%	0.709	S	S	*	*			trans	-77.2	81.7	-175.1	-62.4	96.6	0	0	0	110.3	H25	H25-W27 PolarHBondContact O-N 2.75Å; H25-W27 VanDerWaalsContact O-N 3.17Å; H25-W27 PolarHBondContact O-NE1 3.09Å
28	K	28.8	Very low	29	Very low	152 Å²	152	135.7 Å²	135.7	66%	0.661	71%	0.707	S	S	*	*			trans	-92	134.4	155	-68.4	-178.2	-176.8	176.3	0	107.5	D26 V30	D26-K28 VanDerWaalsContact C-N 3.34Å; D26-K28 PolarHBondContact O-N 3.47Å; K28-V30 WeakPolarHBondContact O-CG2 3.19Å; K28-V30 PolarHBondContact O-N 3.32Å
29	L	30.1	Very low	29.1	Very low	66 Å²	66	137.7 Å²	137.7	35%	0.346	71%	0.709	S	S	.	*			trans	-47.5	99	177.2	-151	86.2	0	0	0	109.5	G31 M32 L454	L29-G31 PolarHBondContact O-N 3.27Å; L29-M32 HydrophobicContact CD2-CG 4.4Å; L29-M32 HydrophobicContact CD2-SD 3.9Å; L29-L454 HydrophobicContact CD1-CD1 4.49Å
30	V	27.3	Very low	29.1	Very low	138 Å²	138	138.4 Å²	138.4	84%	0.836	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	108.3	-173.3	-179.6	0	0	0	0	107.2	K28	K28-V30 WeakPolarHBondContact O-CG2 3.19Å; K28-V30 PolarHBondContact O-N 3.32Å
31	G	28.1	Very low	29.2	Very low	77 Å²	77	138.6 Å²	138.6	79%	0.794	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	139.3	-7.8	174.6	0	0	0	0	0	117.2	L29	L29-G31 PolarHBondContact O-N 3.27Å
32	M	30.4	Very low	29.1	Very low	61 Å²	61	141.8 Å²	141.8	30%	0.3	72%	0.717	S	S	.	*			trans	-87.6	119	175.7	-67.2	177	73.3	0	0	110.9	L29 C36 I302	L29-M32 HydrophobicContact CD2-CG 4.4Å; L29-M32 HydrophobicContact CD2-SD 3.9Å; M32-C36 HydrophobicContact CE-CB 3.93Å; M32-I302 HydrophobicContact CE-CD1 3.83Å; M32-I302 HydrophobicContact SD-CD1 4.5Å
33	S	32.4	Very low	28.9	Very low	85 Å²	85	138.8 Å²	138.8	59%	0.594	71%	0.71	S	S	*	*			trans	-63.6	142.7	172	58.2	0	0	0	0	110.8	A35 C36	S33-A35 PolarHBondContact O-N 2.99Å; S33-C36 PolarHBondContact O-N 2.89Å; S33-C36 VanDerWaalsContact O-N 3.1Å
34	E	32.7	Very low	28.6	Very low	173 Å²	173	138 Å²	138	81%	0.808	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-50.3	-19.6	-176.1	-71	-175.3	147.7	0	0	115.1	C36 L37	E34-C36 VanDerWaalsContact C-N 3.26Å; E34-C36 PolarHBondContact O-N 3.2Å; E34-L37 PolarHBondContact O-N 3.25Å
35	A	34.1	Very low	28.4	Very low	90 Å²	90	139.6 Å²	139.6	74%	0.744	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-62.4	-23.8	176.6	0	0	0	0	0	114.7	S33	S33-A35 PolarHBondContact O-N 2.99Å
36	C	33	Very low	28	Very low	57 Å²	57	144.7 Å²	144.7	39%	0.385	73%	0.726	S	S	.	*	G	3₁₀ helix	trans	-85.1	-11.9	-179.7	-82	0	0	0	0	114.6	M32 S33 E34 H38	M32-C36 HydrophobicContact CE-CB 3.93Å; S33-C36 PolarHBondContact O-N 2.89Å; S33-C36 VanDerWaalsContact O-N 3.1Å; E34-C36 VanDerWaalsContact C-N 3.26Å; E34-C36 PolarHBondContact O-N 3.2Å; C36-H38 VanDerWaalsContact C-N 3.31Å; C36-H38 PolarHBondContact O-N 3.1Å
37	L	31	Very low	27.9	Very low	123 Å²	123	143.3 Å²	143.3	64%	0.644	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-87.5	8.8	-173	-70.8	173.1	0	0	0	114.6	E34	E34-L37 PolarHBondContact O-N 3.25Å
38	H	27.4	Very low	27.5	Very low	174 Å²	174	140.7 Å²	140.7	81%	0.806	73%	0.732	S	S	*	*			trans	-126.8	84.8	-175.1	-74	-24.3	0	0	0	113.4	C36	C36-H38 VanDerWaalsContact C-N 3.31Å; C36-H38 PolarHBondContact O-N 3.1Å
39	R	29	Very low	27.3	Very low	242 Å²	242	141.8 Å²	141.8	91%	0.913	74%	0.744	S	S	*	*			trans	-140.6	98.4	146.6	-154.5	174.8	-167.5	-166.7	3	110.6	S41	R39-S41 PolarHBondContact O-N 2.76Å; R39-S41 VanDerWaalsContact O-N 3.14Å
40	K	24.4	Very low	26.8	Very low	202 Å²	202	147.7 Å²	147.7	88%	0.878	77%	0.767	S	S	*	*			trans	-61.8	106.5	162.5	-75.7	178.6	174.7	176.8	0	107.5
41	S	28.5	Very low	26.6	Very low	116 Å²	116	147.2 Å²	147.2	81%	0.811	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-81.3	125.5	164.8	84.2	0	0	0	0	108.2	R39	R39-S41 PolarHBondContact O-N 2.76Å; R39-S41 VanDerWaalsContact O-N 3.14Å
42	H	25.5	Very low	26.3	Very low	172 Å²	172	150.8 Å²	150.8	80%	0.796	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-76.5	144.8	-177.4	-120.4	-95.2	0	0	0	109.9	E44	H42-E44 PolarHBondContact O-N 3.17Å
43	S	22.3	Very low	25.8	Very low	108 Å²	108	156.9 Å²	156.9	76%	0.755	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-55.8	123.5	174.7	44.8	0	0	0	0	113.1
44	E	25.2	Very low	25.5	Very low	193 Å²	193	158.3 Å²	158.3	90%	0.902	79%	0.794	S	S	*	*			trans	-113	146.4	160.4	-78.2	-168.3	154.3	0	0	111.7	H42	H42-E44 PolarHBondContact O-N 3.17Å
45	R	21.6	Very low	24.9	Very low	240 Å²	240	155.4 Å²	155.4	91%	0.906	79%	0.792	S	S	*	*			trans	-75.4	129	-152.2	-71.2	171.3	173.8	-172.9	-2.8	112.9	S47	R45-S47 PolarHBondContact O-N 2.8Å
46	R	20.7	Very low	24.6	Very low	247 Å²	247	156.3 Å²	156.3	93%	0.932	79%	0.79	S	S	*	*			trans	-76.2	97.4	165.1	-160	174.8	-170.7	-177.3	3.2	109.3
47	S	24	Very low	24.3	Very low	107 Å²	107	161.8 Å²	161.8	75%	0.748	81%	0.81	S	S	*	*			trans	-90.8	123.3	162.2	61	0	0	0	0	109.9	R45	R45-S47 PolarHBondContact O-N 2.8Å
48	T	21.3	Very low	24.1	Very low	131 Å²	131	163.6 Å²	163.6	80%	0.804	82%	0.82	S	S	*	*			trans	-58.9	122.2	174.8	47.7	0	0	0	0	112.5
49	L	24.9	Very low	24.1	Very low	175 Å²	175	162 Å²	162	92%	0.916	82%	0.815	S	S	*	*			trans	-116.2	121	154	-83.1	166.1	0	0	0	108.8
50	K	19.9	Very low	23.9	Very low	191 Å²	191	158.2 Å²	158.2	83%	0.83	81%	0.808	S	S	*	*			trans	-76.5	155.1	172	-70.5	174	171.7	178.1	0	109.2
51	N	21.6	Very low	24	Very low	128 Å²	128	153.5 Å²	153.5	68%	0.684	80%	0.796	S	S	*	*			trans	106.2	136.6	134.3	-131.9	31.4	0	0	0	118.9
52	E	22.7	Very low	23.9	Very low	152 Å²	152	152.7 Å²	152.7	71%	0.71	79%	0.787	S	S	*	*			trans	74.6	99.4	154.9	-74.5	157.7	155.2	0	0	117
53	Q	19.7	Very low	23.7	Very low	188 Å²	188	155.8 Å²	155.8	88%	0.879	79%	0.792	S	S	*	*				42.6	93.4	80.5	-72.9	-170.9	-1.6	0	0	112.9
54	S	24.9	Very low	24	Very low	116 Å²	116	155.8 Å²	155.8	81%	0.811	79%	0.787	S	S	*	*			trans	-159.3	106.4	150.1	-70.8	0	0	0	0	108.5
55	S	21.2	Very low	24.1	Very low	111 Å²	111	151.7 Å²	151.7	78%	0.776	78%	0.779	S	S	*	*			trans	-60.7	139.4	158.1	179.9	0	0	0	0	108.5
56	P	27.5	Very low	24.4	Very low	109 Å²	109	145.9 Å²	145.9	71%	0.708	78%	0.776	S	S	*	*				-141.4	133.1	115.6	31	-14.7	0	0	0	113.1	L58	P56-L58 PolarHBondContact O-N 3.16Å
57	H	27.9	Very low	24.8	Very low	172 Å²	172	141 Å²	141	80%	0.796	77%	0.767	S	S	*	*			trans	27.2	88.6	143.4	-67.3	-75.4	0	0	0	116.3	I59	H57-I59 VanDerWaalsContact C-N 3.35Å; H57-I59 PolarHBondContact O-N 2.97Å
58	L	25.7	Very low	24.9	Very low	162 Å²	162	144.2 Å²	144.2	85%	0.848	77%	0.767	S	S	*	*			trans	-63.5	98	161.9	-158.4	81.1	0	0	0	107.9	P56 Q60	P56-L58 PolarHBondContact O-N 3.16Å; L58-Q60 PolarHBondContact O-N 2.8Å
59	I	28.1	Very low	25.1	Very low	140 Å²	140	145.6 Å²	145.6	72%	0.718	77%	0.765	S	S	*	*			trans	-60.1	105	162.9	-65.5	173.5	0	0	0	105.3	H57 T61	H57-I59 VanDerWaalsContact C-N 3.35Å; H57-I59 PolarHBondContact O-N 2.97Å; I59-T61 HydrophobicContact CG2-CG2 4.24Å; I59-T61 PolarHBondContact O-N 2.97Å
60	Q	24.6	Very low	25	Very low	162 Å²	162	145.7 Å²	145.7	76%	0.757	77%	0.765	S	S	*	*			trans	-61.8	91.1	165	-82.3	179.3	-47.1	0	0	107.5	L58 T62	L58-Q60 PolarHBondContact O-N 2.8Å; Q60-T62 PolarHBondContact O-N 2.82Å
61	T	25.9	Very low	25.2	Very low	103 Å²	103	142.4 Å²	142.4	63%	0.632	76%	0.756	S	S	*	*			trans	-71.4	85.5	158.3	44.2	0	0	0	0	107	I59 W63	I59-T61 HydrophobicContact CG2-CG2 4.24Å; I59-T61 PolarHBondContact O-N 2.97Å; T61-W63 PolarHBondContact O-N 2.89Å; T61-W63 VanDerWaalsContact O-N 3.11Å
62	T	25.9	Very low	25.5	Very low	99 Å²	99	144.3 Å²	144.3	61%	0.607	76%	0.761	S	S	*	*			trans	-66.5	102.1	161.9	50.1	0	0	0	0	107.2	Q60 T64	Q60-T62 PolarHBondContact O-N 2.82Å; T62-T64 PolarHBondContact O-N 3.31Å
63	W	22.6	Very low	25.5	Very low	238 Å²	238	144.1 Å²	144.1	90%	0.902	77%	0.765	S	S	*	*			trans	-69.7	75.6	166.4	-75.1	81.2	0	0	0	108.8	T61 S65	T61-W63 PolarHBondContact O-N 2.89Å; T61-W63 VanDerWaalsContact O-N 3.11Å; W63-S65 PolarHBondContact O-N 2.78Å
64	T	29	Very low	25.7	Very low	108 Å²	108	142.9 Å²	142.9	66%	0.663	76%	0.764	S	S	*	*			trans	-83.4	97.4	167.1	53.7	0	0	0	0	108.2	T62 S66	T62-T64 PolarHBondContact O-N 3.31Å; T64-S66 PolarHBondContact O-N 2.87Å; T64-S66 PolarHBondContact O-OG 3.43Å
65	S	26.8	Very low	25.9	Very low	106 Å²	106	144.4 Å²	144.4	74%	0.741	77%	0.768	S	S	*	*			trans	-3.3	78.6	153.1	-45.9	0	0	0	0	116.8	W63 I67	W63-S65 PolarHBondContact O-N 2.78Å; S65-I67 PolarHBondContact O-N 3.21Å
66	S	27.3	Very low	26	Very low	119 Å²	119	145.4 Å²	145.4	83%	0.832	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	31	174.6	-60.8	0	0	0	0	114.5	T64	T64-S66 PolarHBondContact O-N 2.87Å; T64-S66 PolarHBondContact O-OG 3.43Å
67	I	28.9	Very low	26	Very low	144 Å²	144	147.4 Å²	147.4	74%	0.738	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-8.6	173.8	-77.8	176.8	0	0	0	112.6	S65	S65-I67 PolarHBondContact O-N 3.21Å
68	F	25.8	Very low	25.9	Very low	174 Å²	174	146.1 Å²	146.1	76%	0.763	76%	0.764	S	S	*	*	S	Bend	trans	-123.4	67.5	178.5	-61.2	-75.9	0	0	0	112
69	H	26.8	Very low	25.9	Very low	161 Å²	161	143.5 Å²	143.5	75%	0.745	76%	0.759	S	S	*	*			trans	-153.6	97.3	150.7	-107.8	-71.3	0	0	0	108.9	D71	H69-D71 IonicContact CE1-OD2 3.95Å; H69-D71 IonicContact ND1-OD2 2.66Å
70	L	22.6	Very low	25.9	Very low	177 Å²	177	144 Å²	144	93%	0.927	77%	0.769	S	S	*	*			trans	-84.3	96.5	152.9	-98.6	107.1	0	0	0	105.5
71	D	24.8	Very low	25.9	Very low	121 Å²	121	141 Å²	141	65%	0.647	77%	0.766	S	S	*	*			trans	-147.3	127.9	161.8	-92.9	-43.9	0	0	0	112.1	H69	H69-D71 IonicContact CE1-OD2 3.95Å; H69-D71 IonicContact ND1-OD2 2.66Å
72	H	26.7	Very low	26	Very low	169 Å²	169	141.4 Å²	141.4	78%	0.782	77%	0.773	S	S	*	*			trans	53.2	120.2	148.5	-92.1	-73.1	0	0	0	122.5	D74	H72-D74 PolarHBondContact O-N 3.02Å
73	D	23.1	Very low	26.3	Very low	148 Å²	148	141.2 Å²	141.2	79%	0.791	78%	0.781	S	S	*	*			trans	-41.2	121.7	154.1	-63.7	-66.1	0	0	0	112.5
74	D	24.3	Very low	26.7	Very low	162 Å²	162	138.4 Å²	138.4	87%	0.866	78%	0.778	S	S	*	*			trans	-158.6	97.9	145.3	-97.4	-33.7	0	0	0	108.9	H72	H72-D74 PolarHBondContact O-N 3.02Å
75	V	28.9	Very low	26.6	Very low	147 Å²	147	139.9 Å²	139.9	89%	0.891	79%	0.787	S	S	*	*			trans	-113.5	94.8	165.3	-174.3	0	0	0	0	107.2
76	N	23.6	Very low	26.8	Very low	132 Å²	132	143.6 Å²	143.6	71%	0.706	79%	0.79	S	S	*	*			trans	-121.9	93.3	160	-178.2	41.6	0	0	0	106.8
77	D	27.4	Very low	26.9	Very low	152 Å²	152	146.7 Å²	146.7	81%	0.813	79%	0.792	S	S	*	*			trans	-116.3	111.5	165.8	-161.2	10.6	0	0	0	108.9
78	Q	24.6	Very low	27.1	Very low	144 Å²	144	145.5 Å²	145.5	67%	0.673	79%	0.791	S	S	*	*			trans	-92.5	130.1	176.1	-78.1	-177.1	-1.1	0	0	109.1
79	S	25.5	Very low	27.4	Very low	107 Å²	107	145.5 Å²	145.5	75%	0.748	79%	0.794	S	S	*	*			trans	66.5	98.3	146.2	64.5	0	0	0	0	117.8
80	V	29.6	Very low	27.9	Very low	151 Å²	151	146 Å²	146	92%	0.915	80%	0.796	S	S	*	*			trans	-129.4	115.6	137.2	-170.6	0	0	0	0	109.1
81	S	24.3	Very low	28.6	Very low	100 Å²	100	146.6 Å²	146.6	70%	0.699	79%	0.791	S	S	*	*			trans	-68.4	150.9	170.7	165.3	0	0	0	0	111.3
82	S	26.9	Very low	29.4	Very low	111 Å²	111	149.1 Å²	149.1	78%	0.776	80%	0.797	S	S	*	*			trans	108.6	93.9	152.8	-42.5	0	0	0	0	115.7
83	A	33	Very low	30	Very low	95 Å²	95	146.9 Å²	146.9	79%	0.785	80%	0.798	S	S	*	*			trans	-169	99.2	139.9	0	0	0	0	0	111.1
84	Q	30.2	Very low	31.2	Very low	179 Å²	179	149.4 Å²	149.4	84%	0.836	80%	0.802	S	S	*	*			trans	42.5	110.6	139.7	-67	172.8	-6.3	0	0	119.5	F86	Q84-F86 PolarHBondContact O-N 3.39Å
85	T	27.7	Very low	32.9	Very low	139 Å²	139	144.3 Å²	144.3	85%	0.853	79%	0.788	S	S	*	*			trans	-46.2	91.4	167.7	-38	0	0	0	0	113.3
86	F	31	Very low	35	Very low	184 Å²	184	146.9 Å²	146.9	81%	0.807	78%	0.784	S	S	*	*			trans	-78	120.1	153.5	-94.6	-92.4	0	0	0	107.8	Q84 T88	Q84-F86 PolarHBondContact O-N 3.39Å; F86-T88 PolarHBondContact O-N 3.44Å
87	Q	28.5	Very low	37.2	Very low	184 Å²	184	145 Å²	145	86%	0.86	77%	0.772	S	S	*	*			trans	-64.6	77.7	168.8	-66.1	176.4	7.7	0	0	108.4	E89	Q87-E89 VanDerWaalsContact C-N 3.34Å; Q87-E89 PolarHBondContact O-N 2.85Å; Q87-E89 VanDerWaalsContact O-N 3.11Å
88	T	33.7	Very low	39.6	Very low	119 Å²	119	138.1 Å²	138.1	73%	0.73	74%	0.736	S	S	*	*			trans	-68.5	104.4	156	31.3	0	0	0	0	105.1	F86 E90	F86-T88 PolarHBondContact O-N 3.44Å; T88-E90 PolarHBondContact O-N 2.9Å
89	E	31.4	Very low	42.4	Very low	174 Å²	174	137.4 Å²	137.4	81%	0.813	75%	0.747	S	S	*	*			trans	-40.5	110.5	158.9	-69.7	-174.3	151.2	0	0	106.7	Q87 K91	Q87-E89 VanDerWaalsContact C-N 3.34Å; Q87-E89 PolarHBondContact O-N 2.85Å; Q87-E89 VanDerWaalsContact O-N 3.11Å; E89-K91 PolarHBondContact O-N 3.44Å
90	E	37.8	Very low	45.3	Very low	171 Å²	171	138.6 Å²	138.6	80%	0.799	74%	0.736	S	S	*	*			trans	-58.7	91.2	172.9	-71.4	-175.6	166.5	0	0	105.6	T88 K92	T88-E90 PolarHBondContact O-N 2.9Å; E90-K92 PolarHBondContact O-N 3.29Å
91	K	37.8	Very low	47.8	Very low	190 Å²	190	132 Å²	132	83%	0.826	70%	0.696	S	S	*	*			trans	-64.2	73.5	153.9	-81	-177.6	179.8	171.5	0	104.8	E89 C93	E89-K91 PolarHBondContact O-N 3.44Å; K91-C93 VanDerWaalsContact C-N 3.27Å; K91-C93 PolarHBondContact O-N 3.29Å
92	K	40.9	Very low	50.6	Low	174 Å²	174	133.2 Å²	133.2	76%	0.757	69%	0.694	S	S	*	*			trans	-47.5	103.3	166.7	-148.6	173.9	-165.8	165.8	0	103.1	E90 K94	E90-K92 PolarHBondContact O-N 3.29Å; K92-K94 PolarHBondContact O-N 3.43Å
93	C	39.6	Very low	53	Low	121 Å²	121	136.3 Å²	136.3	82%	0.818	69%	0.694	S	S	*	*			trans	-48.9	107.4	-170.3	-161.8	0	0	0	0	105.3	K91 G95	K91-C93 VanDerWaalsContact C-N 3.27Å; K91-C93 PolarHBondContact O-N 3.29Å; C93-G95 VanDerWaalsContact C-N 3.26Å; C93-G95 PolarHBondContact O-N 3Å
94	K	48.3	Very low	55.4	Low	201 Å²	201	137 Å²	137	87%	0.874	68%	0.684	S	S	*	*			trans	-59	103.5	-177.5	-76.3	-179.4	178.7	175	0	103.3	K92 Y96	K92-K94 PolarHBondContact O-N 3.43Å; K94-Y96 PolarHBondContact O-N 3.23Å
95	G	60.2	Low	58.4	Low	56 Å²	56	130.5 Å²	130.5	58%	0.577	65%	0.654	S	S	*	*			trans	-49.3	133.3	-173.4	0	0	0	0	0	107.6	C93 I97	C93-G95 VanDerWaalsContact C-N 3.26Å; C93-G95 PolarHBondContact O-N 3Å; G95-I97 PolarHBondContact O-N 2.97Å
96	Y	72.7	Confident	61.6	Low	201 Å²	201	128.9 Å²	128.9	79%	0.788	64%	0.639	S	S	*	*			trans	-52.5	108.8	178.2	170.2	-98.9	0	0	0	108.7	K94 P98	K94-Y96 PolarHBondContact O-N 3.23Å; Y96-P98 HydrophobicContact CD1-CG 4.4Å; Y96-P98 HydrophobicContact CE1-CB 4.37Å; Y96-P98 HydrophobicContact CE1-CG 3.94Å
97	I	71.2	Confident	64.8	Low	92 Å²	92	120.2 Å²	120.2	47%	0.472	60%	0.601	S	S	.	*			trans	-96.5	116.4	171.5	-64.6	173.7	0	0	0	105.2	G95 L101	G95-I97 PolarHBondContact O-N 2.97Å; I97-L101 HydrophobicContact CG2-CB 4.03Å; I97-L101 HydrophobicContact CG2-CD2 4.32Å
98	P	77.7	Confident	68.1	Low	8 Å²	8	114.7 Å²	114.7	5%	0.052	58%	0.58	C	S	.	*			trans	-55.6	142.1	175.4	-22	31.9	0	0	0	111	Y96 Y100 L101	Y96-P98 HydrophobicContact CD1-CG 4.4Å; Y96-P98 HydrophobicContact CE1-CB 4.37Å; Y96-P98 HydrophobicContact CE1-CG 3.94Å; P98-Y100 HydrophobicContact CB-CD1 3.81Å; P98-Y100 HydrophobicContact CB-CD2 4.07Å; P98-Y100 HydrophobicContact CB-CE1 3.31Å; P98-Y100 HydrophobicContact CB-CE2 3.56Å; P98-Y100 HydrophobicContact CB-CG 4.18Å; P98-Y100 HydrophobicContact CG-CE1 4.22Å; P98-Y100 HydrophobicContact CG-CE2 4.02Å; P98-Y100 WeakPolarHBondContact CG-OH 3.34Å; P98-Y100 PolarHBondContact O-N 2.88Å; P98-L101 WeakPolarHBondContact O-CB 3.37Å; P98-L101 PolarHBondContact O-N 3.24Å
99	S	83.5	Confident	71.2	Confident	129 Å²	129	109 Å²	109	90%	0.902	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-19.3	-174.4	54.4	0	0	0	0	115.3
100	Y	85	Confident	74.4	Confident	132 Å²	132	101 Å²	101	52%	0.518	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-6.1	178.5	55.7	-109.8	0	0	0	114	P98 Y117	P98-Y100 HydrophobicContact CB-CD1 3.81Å; P98-Y100 HydrophobicContact CB-CD2 4.07Å; P98-Y100 HydrophobicContact CB-CE1 3.31Å; P98-Y100 HydrophobicContact CB-CE2 3.56Å; P98-Y100 HydrophobicContact CB-CG 4.18Å; P98-Y100 HydrophobicContact CG-CE1 4.22Å; P98-Y100 HydrophobicContact CG-CE2 4.02Å; P98-Y100 WeakPolarHBondContact CG-OH 3.34Å; P98-Y100 PolarHBondContact O-N 2.88Å; Y100-Y117 AromaticContact CD2-CD2 3.74Å; Y100-Y117 HydrophobicContact CD2-CD2 3.74Å; Y100-Y117 AromaticContact CD2-CE2 3.8Å; Y100-Y117 HydrophobicContact CD2-CE2 3.8Å; Y100-Y117 AromaticContact CE2-CD2 3.48Å; Y100-Y117 HydrophobicContact CE2-CD2 3.48Å; Y100-Y117 VanDerWaalsContact CE2-CD2 3.48Å; Y100-Y117 HydrophobicContact CE2-CE2 4.03Å
101	L	82.1	Confident	77.2	Confident	13 Å²	13	94.8 Å²	94.8	7%	0.068	49%	0.491	C	S	.	.	S	Bend	trans	-106.2	124.1	-174.6	-159.2	79.5	0	0	0	109.4	I97 P98 E105 I122	I97-L101 HydrophobicContact CG2-CB 4.03Å; I97-L101 HydrophobicContact CG2-CD2 4.32Å; P98-L101 WeakPolarHBondContact O-CB 3.37Å; P98-L101 PolarHBondContact O-N 3.24Å; L101-E105 HydrophobicContact CD1-CB 4.43Å; L101-E105 WeakPolarHBondContact CD1-OE2 3.1Å; L101-E105 HydrophobicContact CG-CB 4.32Å; L101-I122 HydrophobicContact CD1-CG1 4.31Å; L101-I122 HydrophobicContact CD1-CG2 4.33Å
102	D	83	Confident	80	Confident	125 Å²	125	86.9 Å²	86.9	67%	0.668	46%	0.457	S	S	*	.			trans	-67.8	148.7	175.1	-76.9	-33.4	0	0	0	110.9	D104 E105	D102-D104 PolarHBondContact O-N 3.13Å; D102-E105 HydrophobicContact CB-CG 4.01Å; D102-E105 PolarHBondContact N-OE1 2.99Å; D102-E105 PolarHBondContact O-N 3.1Å
103	K	78.3	Confident	82.5	Confident	176 Å²	176	84.8 Å²	84.8	77%	0.765	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	127.7	176.1	-71.2	179.2	-176.2	170.4	0	108.8
104	D	84	Confident	85.2	Confident	109 Å²	109	79.8 Å²	79.8	58%	0.583	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	22.2	178.8	-57.3	-62.6	0	0	0	116.3	D102 L106 K113	D102-D104 PolarHBondContact O-N 3.13Å; D104-L106 PolarHBondContact O-N 3.42Å; D104-K113 IonicContact OD1-NZ 2.84Å; D104-K113 PolarHBondContact OD1-NZ 3.46Å
105	E	91.7	Very high	87.4	Confident	43 Å²	43	72.8 Å²	72.8	20%	0.201	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-55	135.9	163.4	-81.7	-172.7	-151	0	0	112.2	L101 D102 A114 I122	L101-E105 HydrophobicContact CD1-CB 4.43Å; L101-E105 WeakPolarHBondContact CD1-OE2 3.1Å; L101-E105 HydrophobicContact CG-CB 4.32Å; D102-E105 HydrophobicContact CB-CG 4.01Å; D102-E105 PolarHBondContact N-OE1 2.99Å; D102-E105 PolarHBondContact O-N 3.1Å; E105-A114 HydrophobicContact CB-CB 4.37Å; E105-A114 VanDerWaalsContact O-CB 3.26Å; E105-A114 WeakPolarHBondContact O-CB 3.35Å; E105-A114 PolarHBondContact O-N 3.43Å; E105-I122 HydrophobicContact CB-CG2 4.18Å; E105-I122 WeakPolarHBondContact OE2-CD1 3.32Å; E105-I122 WeakPolarHBondContact OE2-CG1 3.4Å; E105-I122 VanDerWaalsContact OE2-CG2 3.28Å; E105-I122 WeakPolarHBondContact OE2-CG2 3.28Å
106	L	96	Very high	89	Confident	104 Å²	104	70.2 Å²	70.2	55%	0.545	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-99	142.7	-177.2	-59.4	-176.7	0	0	0	111.5	D104 V108	D104-L106 PolarHBondContact O-N 3.42Å; L106-V108 PolarHBondContact O-N 2.89Å
107	C	97.6	Very high	90.1	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.014	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-61.5	119	175	173.3	0	0	0	0	110.5	V109 C110 G111 D112 C124	C107-V109 PolarHBondContact O-N 2.94Å; C107-C110 PolarHBondContact O-N 2.99Å; C107-C110 VanDerWaalsContact O-N 3.16Å; C107-G111 WeakPolarHBondContact O-CA 3.14Å; C107-G111 PolarHBondContact O-N 3.4Å; C107-D112 WeakPolarHBondContact CB-O 3.45Å; C107-D112 PolarHBondContact N-O 2.66Å; C107-C124 HydrophobicContact CB-CB 3.93Å; C107-C124 PolarHBondContact SG-N 3.31Å; C107-C124 VanDerWaalsContact SG-N 3.36Å
108	V	97.8	Very high	91.3	Very high	69 Å²	69	63.2 Å²	63.2	42%	0.418	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.2	-178.3	-60	0	0	0	0	114	L106 C121 I122 T123 V172	L106-V108 PolarHBondContact O-N 2.89Å; V108-C121 HydrophobicContact CG2-CB 4.12Å; V108-I122 WeakPolarHBondContact CG2-O 3Å; V108-I122 PolarHBondContact N-O 3.27Å; V108-I122 VanDerWaalsContact N-O 3.1Å; V108-T123 HydrophobicContact CG2-CG2 4.26Å; V108-V172 HydrophobicContact CB-CB 4.43Å; V108-V172 HydrophobicContact CB-CG1 4.32Å; V108-V172 HydrophobicContact CG2-CB 3.81Å; V108-V172 HydrophobicContact CG2-CG1 4.13Å; V108-V172 HydrophobicContact CG2-CG2 3.75Å
109	V	98.3	Very high	92.2	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-42.9	177.6	-178.7	0	0	0	0	112.6	C107 T123 C127 I153 R165 K168 V172 M174	C107-V109 PolarHBondContact O-N 2.94Å; V109-T123 HydrophobicContact CG2-CG2 4.11Å; V109-C127 HydrophobicContact CB-CB 4.23Å; V109-C127 HydrophobicContact CG1-CB 4.43Å; V109-C127 HydrophobicContact CG2-CB 4.43Å; V109-I153 HydrophobicContact CG1-CG2 4.16Å; V109-I153 WeakPolarHBondContact O-CG2 3.26Å; V109-R165 HydrophobicContact CG1-CG 4.4Å; V109-K168 HydrophobicContact CG1-CB 4.47Å; V109-K168 HydrophobicContact CG1-CD 4.46Å; V109-K168 HydrophobicContact CG1-CG 4.36Å; V109-K168 WeakPolarHBondContact O-CD 3.46Å; V109-K168 WeakPolarHBondContact O-CE 3.41Å; V109-K168 PolarHBondContact O-NZ 3.29Å; V109-V172 HydrophobicContact CG2-CG2 3.74Å; V109-M174 HydrophobicContact CG2-SD 4.09Å
110	C	98.2	Very high	92.8	Very high	4 Å²	4	66.9 Å²	66.9	3%	0.027	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.4	-0.1	-169	70	0	0	0	0	115.2	C107 D112 C127 I153 D154 K155 R158	C107-C110 PolarHBondContact O-N 2.99Å; C107-C110 VanDerWaalsContact O-N 3.16Å; C110-D112 PolarHBondContact O-N 3.45Å; C110-D112 VanDerWaalsContact O-N 3.17Å; C110-D112 VanDerWaalsContact SG-CB 3.56Å; C110-C127 VanDerWaalsContact SG-SG 3.65Å; C110-I153 HydrophobicContact CB-CG2 4.22Å; C110-D154 CarbonylContact O-C 3.54Å; C110-D154 WeakPolarHBondContact O-CA 3.37Å; C110-K155 PolarHBondContact O-N 3.28Å; C110-R158 HydrophobicContact CB-CB 4.09Å; C110-R158 PolarHBondContact SG-NH1 3.38Å; C110-R158 VanDerWaalsContact SG-NH1 3.39Å
111	G	97.1	Very high	93.4	Very high	42 Å²	42	61.1 Å²	61.1	43%	0.433	30%	0.303	S	S	.	.	S	Bend	trans	69.9	4.4	-178.4	0	0	0	0	0	115.3	C107	C107-G111 WeakPolarHBondContact O-CA 3.14Å; C107-G111 PolarHBondContact O-N 3.4Å
112	D	96.7	Very high	94.1	Very high	24 Å²	24	62.1 Å²	62.1	13%	0.128	31%	0.308	C	S	.	.	S	Bend	trans	-73	163.4	170.5	-163.5	14.2	0	0	0	111.1	C107 C110 A114 C124 K155 R158	C107-D112 WeakPolarHBondContact CB-O 3.45Å; C107-D112 PolarHBondContact N-O 2.66Å; C110-D112 PolarHBondContact O-N 3.45Å; C110-D112 VanDerWaalsContact O-N 3.17Å; C110-D112 VanDerWaalsContact SG-CB 3.56Å; D112-A114 PolarHBondContact O-N 2.68Å; D112-C124 HydrophobicContact CB-CB 4.19Å; D112-K155 HydrophobicContact CB-CB 4.23Å; D112-K155 HydrophobicContact CB-CD 4.26Å; D112-K155 HydrophobicContact CB-CG 4.11Å; D112-K155 WeakPolarHBondContact OD1-CD 3.38Å; D112-K155 WeakPolarHBondContact OD1-CE 3.43Å; D112-K155 IonicContact OD1-NZ 3.43Å; D112-K155 PolarHBondContact OD1-NZ 3.05Å; D112-R158 IonicContact OD2-CZ 2.86Å; D112-R158 IonicContact OD2-NH1 2.83Å; D112-R158 PolarHBondContact OD2-NH1 2.78Å; D112-R158 IonicContact OD2-NH2 3.82Å; D112-R158 PolarHBondContact OD2-NH2 2.77Å
113	K	94.7	Very high	94.8	Very high	130 Å²	130	56.2 Å²	56.2	57%	0.565	28%	0.277	S	S	*	.	B	Isolated β-bridge	trans	-57.2	126.1	-179.9	-65.6	-163.6	177.8	-135.2	0	111.3	D104 C124	D104-K113 IonicContact OD1-NZ 2.84Å; D104-K113 PolarHBondContact OD1-NZ 3.46Å; K113-C124 WeakPolarHBondContact O-CB 2.96Å
114	A	95.5	Very high	95.7	Very high	15 Å²	15	48 Å²	48	12%	0.124	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-74.9	151.6	176.1	0	0	0	0	0	111.2	E105 D112 I122 T123	E105-A114 HydrophobicContact CB-CB 4.37Å; E105-A114 VanDerWaalsContact O-CB 3.26Å; E105-A114 WeakPolarHBondContact O-CB 3.35Å; E105-A114 PolarHBondContact O-N 3.43Å; D112-A114 PolarHBondContact O-N 2.68Å; A114-I122 HydrophobicContact CB-CG2 3.37Å; A114-T123 WeakPolarHBondContact CA-O 3.08Å
115	T	93.9	Very high	96.3	Very high	55 Å²	55	47.2 Å²	47.2	34%	0.337	23%	0.234	S	C	.	.			trans	-114.4	-4.2	176.2	56.4	0	0	0	0	113.2	H118 T123 E125	T115-H118 PolarHBondContact OG1-NE2 3.36Å; T115-T123 PolarHBondContact N-O 2.74Å; T115-E125 HydrophobicContact CG2-CG 3.8Å; T115-E125 PolarHBondContact OG1-OE1 2.91Å
116	G	94.1	Very high	96.5	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.6	-171.2	179.8	0	0	0	0	0	112.5	H118 T123	G116-H118 PolarHBondContact O-CD2 3.38Å; G116-H118 PolarHBondContact O-N 3.26Å; G116-T123 PolarHBondContact O-N 3.32Å; G116-T123 VanDerWaalsContact O-N 3.13Å
117	Y	95.2	Very high	96.7	Very high	118 Å²	118	41.4 Å²	41.4	46%	0.463	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	117.5	170.5	-74.1	-86.6	0	0	0	110.3	Y100 C121 I122	Y100-Y117 AromaticContact CD2-CD2 3.74Å; Y100-Y117 HydrophobicContact CD2-CD2 3.74Å; Y100-Y117 AromaticContact CD2-CE2 3.8Å; Y100-Y117 HydrophobicContact CD2-CE2 3.8Å; Y100-Y117 AromaticContact CE2-CD2 3.48Å; Y100-Y117 HydrophobicContact CE2-CD2 3.48Å; Y100-Y117 VanDerWaalsContact CE2-CD2 3.48Å; Y100-Y117 HydrophobicContact CE2-CE2 4.03Å; Y117-C121 WeakPolarHBondContact CA-O 3.22Å; Y117-I122 HydrophobicContact CD1-CG1 4.16Å; Y117-I122 HydrophobicContact CE1-CD1 4.21Å; Y117-I122 HydrophobicContact CE1-CG1 3.71Å; Y117-I122 HydrophobicContact CE2-CG1 4.26Å
118	H	96.9	Very high	96.7	Very high	28 Å²	28	44.1 Å²	44.1	13%	0.13	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.5	170.1	-51.9	-71.5	0	0	0	108.5	T115 G116 R120 C121 T123 E125 K128	T115-H118 PolarHBondContact OG1-NE2 3.36Å; G116-H118 PolarHBondContact O-CD2 3.38Å; G116-H118 PolarHBondContact O-N 3.26Å; H118-R120 VanDerWaalsContact C-N 3.27Å; H118-R120 PolarHBondContact O-N 2.93Å; H118-C121 PolarHBondContact N-O 3.45Å; H118-C121 PolarHBondContact O-N 3.07Å; H118-T123 WeakPolarHBondContact CB-OG1 3.13Å; H118-T123 PolarHBondContact CD2-O 3.15Å; H118-T123 PolarHBondContact CD2-OG1 3.15Å; H118-E125 IonicContact CE1-OE1 3.31Å; H118-E125 IonicContact NE2-OE1 3.45Å; H118-E125 PolarHBondContact NE2-OE1 3.35Å; H118-K128 HydrophobicContact CB-CB 3.85Å; H118-K128 HydrophobicContact CB-CD 4.31Å; H118-K128 HydrophobicContact CB-CG 3.75Å; H118-K128 PolarHBondContact CE1-NZ 3.01Å; H118-K128 VanDerWaalsContact ND1-CD 3.33Å; H118-K128 WeakPolarHBondContact ND1-CD 3.43Å; H118-K128 WeakPolarHBondContact ND1-CE 3.29Å
119	Y	97.6	Very high	96.7	Very high	40 Å²	40	41.3 Å²	41.3	16%	0.157	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	44	-178.1	-46.8	-72.6	0	0	0	112.2	C121 K128 F131 R132 M174 A175 L178 V179	Y119-C121 VanDerWaalsContact C-N 3.29Å; Y119-C121 PolarHBondContact O-N 3.32Å; Y119-K128 HydrophobicContact CE2-CG 3.99Å; Y119-F131 HydrophobicContact CD1-CD1 4.32Å; Y119-F131 HydrophobicContact CD1-CE1 4.3Å; Y119-F131 AromaticContact CD2-CD1 3.63Å; Y119-F131 HydrophobicContact CD2-CD1 3.63Å; Y119-F131 HydrophobicContact CD2-CE1 4.26Å; Y119-F131 HydrophobicContact CE2-CD1 4.09Å; Y119-F131 AromaticContact CG-CD1 3.75Å; Y119-F131 HydrophobicContact CG-CD1 3.75Å; Y119-F131 AromaticContact CG-CE1 3.9Å; Y119-F131 HydrophobicContact CG-CE1 3.9Å; Y119-R132 HydrophobicContact CE2-CB 4.25Å; Y119-R132 VanDerWaalsContact OH-CB 3.27Å; Y119-R132 WeakPolarHBondContact OH-CB 2.94Å; Y119-R132 WeakPolarHBondContact OH-CD 3.24Å; Y119-R132 VanDerWaalsContact OH-CG 3.27Å; Y119-R132 WeakPolarHBondContact OH-CG 3.45Å; Y119-M174 HydrophobicContact CD2-CE 3.53Å; Y119-M174 HydrophobicContact CG-CE 4.19Å; Y119-M174 WeakPolarHBondContact O-CA 3.5Å; Y119-A175 PolarHBondContact O-N 2.89Å; Y119-L178 HydrophobicContact CD1-CB 3.93Å; Y119-V179 HydrophobicContact CD1-CG2 3.72Å; Y119-V179 HydrophobicContact CE1-CB 4.28Å; Y119-V179 HydrophobicContact CE1-CG2 3.44Å; Y119-V179 VanDerWaalsContact CE1-CG2 3.44Å
120	R	96.3	Very high	96.7	Very high	175 Å²	175	41.9 Å²	41.9	66%	0.66	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.6	3.8	-177.7	-50.9	-171.7	-178.3	-136.1	2	117.2	H118 A175 L178	H118-R120 VanDerWaalsContact C-N 3.27Å; H118-R120 PolarHBondContact O-N 2.93Å; R120-A175 HydrophobicContact CB-CB 4.42Å; R120-A175 HydrophobicContact CG-CB 3.9Å; R120-L178 HydrophobicContact CG-CD1 3.6Å
121	C	97.2	Very high	96.7	Very high	11 Å²	11	41.7 Å²	41.7	7%	0.074	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.2	179.2	-59.1	0	0	0	0	112.5	V108 Y117 H118 Y119 T123 V172 G173 M174	V108-C121 HydrophobicContact CG2-CB 4.12Å; Y117-C121 WeakPolarHBondContact CA-O 3.22Å; H118-C121 PolarHBondContact N-O 3.45Å; H118-C121 PolarHBondContact O-N 3.07Å; Y119-C121 VanDerWaalsContact C-N 3.29Å; Y119-C121 PolarHBondContact O-N 3.32Å; C121-T123 HydrophobicContact CB-CG2 3.9Å; C121-T123 PolarHBondContact O-N 2.93Å; C121-T123 VanDerWaalsContact O-N 3.1Å; C121-T123 PolarHBondContact O-OG1 2.86Å; C121-V172 PolarHBondContact SG-O 3.45Å; C121-G173 PolarHBondContact SG-O 3.33Å; C121-M174 HydrophobicContact CB-CG 4.01Å; C121-M174 PolarHBondContact SG-N 2.96Å; C121-M174 VanDerWaalsContact SG-N 3.4Å
122	I	96.5	Very high	96.8	Very high	34 Å²	34	44 Å²	44	17%	0.174	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	106	170	-66.7	156	0	0	0	108.7	L101 E105 V108 A114 Y117	L101-I122 HydrophobicContact CD1-CG1 4.31Å; L101-I122 HydrophobicContact CD1-CG2 4.33Å; E105-I122 HydrophobicContact CB-CG2 4.18Å; E105-I122 WeakPolarHBondContact OE2-CD1 3.32Å; E105-I122 WeakPolarHBondContact OE2-CG1 3.4Å; E105-I122 VanDerWaalsContact OE2-CG2 3.28Å; E105-I122 WeakPolarHBondContact OE2-CG2 3.28Å; V108-I122 WeakPolarHBondContact CG2-O 3Å; V108-I122 PolarHBondContact N-O 3.27Å; V108-I122 VanDerWaalsContact N-O 3.1Å; A114-I122 HydrophobicContact CB-CG2 3.37Å; Y117-I122 HydrophobicContact CD1-CG1 4.16Å; Y117-I122 HydrophobicContact CE1-CD1 4.21Å; Y117-I122 HydrophobicContact CE1-CG1 3.71Å; Y117-I122 HydrophobicContact CE2-CG1 4.26Å
123	T	97.6	Very high	96.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	160.2	-174.5	56.4	0	0	0	0	112.9	V108 V109 A114 T115 G116 H118 C121 M174	V108-T123 HydrophobicContact CG2-CG2 4.26Å; V109-T123 HydrophobicContact CG2-CG2 4.11Å; A114-T123 WeakPolarHBondContact CA-O 3.08Å; T115-T123 PolarHBondContact N-O 2.74Å; G116-T123 PolarHBondContact O-N 3.32Å; G116-T123 VanDerWaalsContact O-N 3.13Å; H118-T123 WeakPolarHBondContact CB-OG1 3.13Å; H118-T123 PolarHBondContact CD2-O 3.15Å; H118-T123 PolarHBondContact CD2-OG1 3.15Å; C121-T123 HydrophobicContact CB-CG2 3.9Å; C121-T123 PolarHBondContact O-N 2.93Å; C121-T123 VanDerWaalsContact O-N 3.1Å; C121-T123 PolarHBondContact O-OG1 2.86Å; T123-M174 HydrophobicContact CG2-CE 4.27Å; T123-M174 HydrophobicContact CG2-SD 4.13Å
124	C	96.9	Very high	96.9	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.02	19%	0.193	C	C	.	.			trans	-80.6	161.7	171.2	67.5	0	0	0	0	110.8	C107 D112 K113 G126 C127 K128 R158	C107-C124 HydrophobicContact CB-CB 3.93Å; C107-C124 PolarHBondContact SG-N 3.31Å; C107-C124 VanDerWaalsContact SG-N 3.36Å; D112-C124 HydrophobicContact CB-CB 4.19Å; K113-C124 WeakPolarHBondContact O-CB 2.96Å; C124-G126 PolarHBondContact O-N 3.11Å; C124-G126 VanDerWaalsContact O-N 3.15Å; C124-C127 PolarHBondContact O-N 2.77Å; C124-C127 VanDerWaalsContact O-N 3.15Å; C124-C127 PolarHBondContact SG-N 3.38Å; C124-C127 VanDerWaalsContact SG-N 3.38Å; C124-K128 PolarHBondContact O-N 2.84Å; C124-R158 PolarHBondContact SG-NH1 3.23Å
125	E	96.1	Very high	97	Very high	93 Å²	93	43.5 Å²	43.5	44%	0.435	20%	0.197	S	C	.	.	H	α-helix	trans	-56.1	-32.8	175.2	-70.2	-59.3	131.1	0	0	112.9	T115 H118 K128 G129	T115-E125 HydrophobicContact CG2-CG 3.8Å; T115-E125 PolarHBondContact OG1-OE1 2.91Å; H118-E125 IonicContact CE1-OE1 3.31Å; H118-E125 IonicContact NE2-OE1 3.45Å; H118-E125 PolarHBondContact NE2-OE1 3.35Å; E125-K128 VanDerWaalsContact CD-NZ 3.3Å; E125-K128 IonicContact OE1-NZ 2.78Å; E125-K128 PolarHBondContact OE1-NZ 3.23Å; E125-K128 WeakPolarHBondContact OE2-CD 3.4Å; E125-K128 IonicContact OE2-NZ 3.15Å; E125-K128 PolarHBondContact OE2-NZ 3.11Å; E125-G129 PolarHBondContact O-N 2.64Å
126	G	97.5	Very high	97	Very high	26 Å²	26	43 Å²	43	27%	0.268	19%	0.191	S	C	.	.	H	α-helix	trans	-63	-45.9	177.8	0	0	0	0	0	113	C124 F130 R165	C124-G126 PolarHBondContact O-N 3.11Å; C124-G126 VanDerWaalsContact O-N 3.15Å; G126-F130 VanDerWaalsContact O-CB 3.32Å; G126-F130 WeakPolarHBondContact O-CB 3.37Å; G126-F130 PolarHBondContact O-N 2.74Å; G126-R165 PolarHBondContact O-NH2 3.02Å
127	C	98.6	Very high	97	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-77.7	-36.2	179.9	-71.2	0	0	0	0	112.4	V109 C110 C124 F130 F131 R165	V109-C127 HydrophobicContact CB-CB 4.23Å; V109-C127 HydrophobicContact CG1-CB 4.43Å; V109-C127 HydrophobicContact CG2-CB 4.43Å; C110-C127 VanDerWaalsContact SG-SG 3.65Å; C124-C127 PolarHBondContact O-N 2.77Å; C124-C127 VanDerWaalsContact O-N 3.15Å; C124-C127 PolarHBondContact SG-N 3.38Å; C124-C127 VanDerWaalsContact SG-N 3.38Å; C127-F130 PolarHBondContact O-N 3.46Å; C127-F131 VanDerWaalsContact O-CB 3.3Å; C127-F131 WeakPolarHBondContact O-CB 3.46Å; C127-F131 PolarHBondContact O-N 3.38Å; C127-R165 PolarHBondContact SG-NH2 3.36Å; C127-R165 VanDerWaalsContact SG-NH2 3.38Å
128	K	98.2	Very high	97	Very high	58 Å²	58	49.5 Å²	49.5	25%	0.252	23%	0.226	S	C	.	.	H	α-helix	trans	-53.8	-54.2	167.9	170.3	-159.6	-169.3	178.5	0	111.4	H118 Y119 C124 E125 R132	H118-K128 HydrophobicContact CB-CB 3.85Å; H118-K128 HydrophobicContact CB-CD 4.31Å; H118-K128 HydrophobicContact CB-CG 3.75Å; H118-K128 PolarHBondContact CE1-NZ 3.01Å; H118-K128 VanDerWaalsContact ND1-CD 3.33Å; H118-K128 WeakPolarHBondContact ND1-CD 3.43Å; H118-K128 WeakPolarHBondContact ND1-CE 3.29Å; Y119-K128 HydrophobicContact CE2-CG 3.99Å; C124-K128 PolarHBondContact O-N 2.84Å; E125-K128 VanDerWaalsContact CD-NZ 3.3Å; E125-K128 IonicContact OE1-NZ 2.78Å; E125-K128 PolarHBondContact OE1-NZ 3.23Å; E125-K128 WeakPolarHBondContact OE2-CD 3.4Å; E125-K128 IonicContact OE2-NZ 3.15Å; E125-K128 PolarHBondContact OE2-NZ 3.11Å; K128-R132 WeakPolarHBondContact O-CB 3.47Å; K128-R132 PolarHBondContact O-N 2.86Å
129	G	97.8	Very high	97.1	Very high	11 Å²	11	50.8 Å²	50.8	11%	0.113	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-39.7	-178.6	0	0	0	0	0	112.9	E125 R133	E125-G129 PolarHBondContact O-N 2.64Å; G129-R133 WeakPolarHBondContact O-CB 3.36Å; G129-R133 WeakPolarHBondContact O-CG 3.48Å; G129-R133 VanDerWaalsContact O-CZ 3.31Å; G129-R133 PolarHBondContact O-N 3.48Å; G129-R133 VanDerWaalsContact O-N 3.11Å; G129-R133 PolarHBondContact O-NH1 2.99Å
130	F	98.6	Very high	97	Very high	12 Å²	12	52.5 Å²	52.5	5%	0.053	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-57.6	174.3	169.9	-100.8	0	0	0	111.4	G126 C127 R132 R133 T134 Y143 Q162 R165 F166	G126-F130 VanDerWaalsContact O-CB 3.32Å; G126-F130 WeakPolarHBondContact O-CB 3.37Å; G126-F130 PolarHBondContact O-N 2.74Å; C127-F130 PolarHBondContact O-N 3.46Å; F130-R132 VanDerWaalsContact C-N 3.33Å; F130-R132 PolarHBondContact O-N 2.95Å; F130-R133 PolarHBondContact O-N 3.13Å; F130-R133 VanDerWaalsContact O-N 3.08Å; F130-T134 PolarHBondContact O-N 2.68Å; F130-T134 PolarHBondContact O-OG1 3.45Å; F130-T134 VanDerWaalsContact O-OG1 3.07Å; F130-Y143 HydrophobicContact CE2-CE2 4.17Å; F130-Y143 AromaticContact CZ-CE2 3.89Å; F130-Y143 HydrophobicContact CZ-CE2 3.89Å; F130-Q162 HydrophobicContact CE2-CB 4.27Å; F130-Q162 HydrophobicContact CE2-CG 4.28Å; F130-Q162 HydrophobicContact CZ-CB 4.44Å; F130-R165 VanDerWaalsContact CD1-CD 3.46Å; F130-R165 HydrophobicContact CD1-CG 4.01Å; F130-R165 HydrophobicContact CE1-CB 4Å; F130-R165 HydrophobicContact CE1-CG 3.74Å; F130-R165 HydrophobicContact CZ-CB 4.06Å; F130-R165 HydrophobicContact CZ-CG 4.2Å; F130-F166 HydrophobicContact CE1-CB 3.95Å; F130-F166 HydrophobicContact CE1-CD2 4.45Å; F130-F166 HydrophobicContact CZ-CB 3.98Å
131	F	98.6	Very high	97.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-55.5	-47.5	-178.2	-174.6	-100.7	0	0	0	111.9	Y119 C127 R133 T134 I135 F166 C169 I170 M174 A175 T176 V179	Y119-F131 HydrophobicContact CD1-CD1 4.32Å; Y119-F131 HydrophobicContact CD1-CE1 4.3Å; Y119-F131 AromaticContact CD2-CD1 3.63Å; Y119-F131 HydrophobicContact CD2-CD1 3.63Å; Y119-F131 HydrophobicContact CD2-CE1 4.26Å; Y119-F131 HydrophobicContact CE2-CD1 4.09Å; Y119-F131 AromaticContact CG-CD1 3.75Å; Y119-F131 HydrophobicContact CG-CD1 3.75Å; Y119-F131 AromaticContact CG-CE1 3.9Å; Y119-F131 HydrophobicContact CG-CE1 3.9Å; C127-F131 VanDerWaalsContact O-CB 3.3Å; C127-F131 WeakPolarHBondContact O-CB 3.46Å; C127-F131 PolarHBondContact O-N 3.38Å; F131-R133 PolarHBondContact O-N 3.34Å; F131-T134 PolarHBondContact O-N 3.35Å; F131-I135 HydrophobicContact CE1-CG1 4.24Å; F131-I135 HydrophobicContact CE2-CG1 4.45Å; F131-I135 HydrophobicContact CZ-CG1 4.22Å; F131-I135 WeakPolarHBondContact O-CG1 3.5Å; F131-I135 PolarHBondContact O-N 3.39Å; F131-F166 HydrophobicContact CD2-CD2 4.31Å; F131-F166 HydrophobicContact CD2-CE2 4.06Å; F131-F166 AromaticContact CE2-CE2 3.95Å; F131-F166 HydrophobicContact CE2-CE2 3.95Å; F131-C169 HydrophobicContact CD2-CB 3.62Å; F131-C169 HydrophobicContact CE2-CB 4.08Å; F131-I170 HydrophobicContact CE2-CD1 3.84Å; F131-I170 HydrophobicContact CZ-CD1 4.33Å; F131-M174 HydrophobicContact CB-CE 3.57Å; F131-M174 HydrophobicContact CB-SD 4Å; F131-M174 HydrophobicContact CD1-CB 4.27Å; F131-M174 HydrophobicContact CD1-CE 3.74Å; F131-M174 HydrophobicContact CD2-CB 3.89Å; F131-M174 HydrophobicContact CD2-CE 4.22Å; F131-M174 HydrophobicContact CD2-SD 3.94Å; F131-M174 HydrophobicContact CE1-CB 3.92Å; F131-M174 HydrophobicContact CE1-CE 4.46Å; F131-M174 HydrophobicContact CE2-CB 3.51Å; F131-M174 HydrophobicContact CG-CB 4.24Å; F131-M174 HydrophobicContact CG-CE 3.58Å; F131-M174 HydrophobicContact CG-SD 3.9Å; F131-M174 HydrophobicContact CZ-CB 3.52Å; F131-M174 VanDerWaalsContact CZ-O 3.25Å; F131-M174 WeakPolarHBondContact CZ-O 3.4Å; F131-A175 WeakPolarHBondContact CE1-O 3.28Å; F131-T176 HydrophobicContact CE1-CG2 4.49Å; F131-T176 HydrophobicContact CE2-CG2 4.18Å; F131-T176 HydrophobicContact CZ-CG2 3.58Å; F131-V179 HydrophobicContact CD1-CG2 3.99Å; F131-V179 HydrophobicContact CE1-CG2 3.83Å
132	R	97.7	Very high	97.1	Very high	91 Å²	91	52 Å²	52	34%	0.343	27%	0.265	S	S	.	.	H	α-helix	trans	-54.7	-50.6	175.3	-172.6	-177.8	55.9	79.7	-5.8	112.3	Y119 K128 F130 I135 Q136 V179	Y119-R132 HydrophobicContact CE2-CB 4.25Å; Y119-R132 VanDerWaalsContact OH-CB 3.27Å; Y119-R132 WeakPolarHBondContact OH-CB 2.94Å; Y119-R132 WeakPolarHBondContact OH-CD 3.24Å; Y119-R132 VanDerWaalsContact OH-CG 3.27Å; Y119-R132 WeakPolarHBondContact OH-CG 3.45Å; K128-R132 WeakPolarHBondContact O-CB 3.47Å; K128-R132 PolarHBondContact O-N 2.86Å; F130-R132 VanDerWaalsContact C-N 3.33Å; F130-R132 PolarHBondContact O-N 2.95Å; R132-I135 PolarHBondContact O-N 2.98Å; R132-Q136 HydrophobicContact CG-CG 4.27Å; R132-Q136 VanDerWaalsContact O-CB 3.31Å; R132-Q136 WeakPolarHBondContact O-CB 3.5Å; R132-Q136 VanDerWaalsContact O-CG 3.25Å; R132-Q136 WeakPolarHBondContact O-CG 3.46Å; R132-Q136 PolarHBondContact O-N 3.45Å; R132-V179 HydrophobicContact CG-CG1 4.19Å
133	R	97	Very high	97.1	Very high	117 Å²	117	51.7 Å²	51.7	44%	0.442	26%	0.261	S	S	.	.	H	α-helix	trans	-65.9	-39.7	-178.5	-74.8	-173.8	-59.9	-93.7	0.3	111.8	G129 F130 F131 K137	G129-R133 WeakPolarHBondContact O-CB 3.36Å; G129-R133 WeakPolarHBondContact O-CG 3.48Å; G129-R133 VanDerWaalsContact O-CZ 3.31Å; G129-R133 PolarHBondContact O-N 3.48Å; G129-R133 VanDerWaalsContact O-N 3.11Å; G129-R133 PolarHBondContact O-NH1 2.99Å; F130-R133 PolarHBondContact O-N 3.13Å; F130-R133 VanDerWaalsContact O-N 3.08Å; F131-R133 PolarHBondContact O-N 3.34Å; R133-K137 WeakPolarHBondContact O-CB 3.16Å; R133-K137 PolarHBondContact O-N 3.19Å
134	T	97.8	Very high	97.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.1	-45.8	178.3	-60.7	0	0	0	0	111.4	F130 F131 N138 L139 H140 Y143 F166	F130-T134 PolarHBondContact O-N 2.68Å; F130-T134 PolarHBondContact O-OG1 3.45Å; F130-T134 VanDerWaalsContact O-OG1 3.07Å; F131-T134 PolarHBondContact O-N 3.35Å; T134-N138 WeakPolarHBondContact O-CA 3.33Å; T134-N138 PolarHBondContact O-N 3.35Å; T134-L139 HydrophobicContact CG2-CB 4.47Å; T134-L139 PolarHBondContact O-N 3.2Å; T134-H140 HydrophobicContact CG2-CB 3.77Å; T134-Y143 HydrophobicContact CG2-CD2 4.37Å; T134-Y143 HydrophobicContact CG2-CE2 3.43Å; T134-Y143 VanDerWaalsContact CG2-CE2 3.43Å; T134-Y143 PolarHBondContact OG1-OH 2.9Å; T134-F166 HydrophobicContact CG2-CD2 3.47Å; T134-F166 VanDerWaalsContact CG2-CD2 3.47Å; T134-F166 HydrophobicContact CG2-CE2 3.63Å; T134-F166 HydrophobicContact CG2-CG 3.99Å; T134-F166 HydrophobicContact CG2-CZ 4.27Å
135	I	97	Very high	97.1	Very high	40 Å²	40	57.5 Å²	57.5	21%	0.205	30%	0.302	C	S	.	.	H	α-helix	trans	-72.9	-48.4	178.8	-59.9	-57.1	0	0	0	111.4	F131 R132 K137 N138 F166 T176 V179	F131-I135 HydrophobicContact CE1-CG1 4.24Å; F131-I135 HydrophobicContact CE2-CG1 4.45Å; F131-I135 HydrophobicContact CZ-CG1 4.22Å; F131-I135 WeakPolarHBondContact O-CG1 3.5Å; F131-I135 PolarHBondContact O-N 3.39Å; R132-I135 PolarHBondContact O-N 2.98Å; I135-K137 VanDerWaalsContact C-N 3.3Å; I135-K137 PolarHBondContact O-N 3.03Å; I135-N138 PolarHBondContact O-N 2.76Å; I135-N138 VanDerWaalsContact O-N 3.08Å; I135-F166 HydrophobicContact CD1-CE2 3.7Å; I135-F166 HydrophobicContact CD1-CZ 3.73Å; I135-F166 HydrophobicContact CG1-CE2 4.4Å; I135-T176 HydrophobicContact CD1-CG2 3.61Å; I135-T176 HydrophobicContact CG1-CG2 4.15Å; I135-V179 HydrophobicContact CB-CB 4.14Å; I135-V179 HydrophobicContact CB-CG1 4.02Å; I135-V179 HydrophobicContact CB-CG2 4.05Å; I135-V179 HydrophobicContact CG1-CG2 4.23Å; I135-V179 HydrophobicContact CG2-CB 3.79Å; I135-V179 HydrophobicContact CG2-CG1 3.91Å; I135-V179 HydrophobicContact CG2-CG2 4.15Å
136	Q	94.4	Very high	97.1	Very high	45 Å²	45	62.3 Å²	62.3	21%	0.21	32%	0.321	C	S	.	.	H	α-helix	trans	-61.6	-35.5	-176.8	-74.9	-176.2	-32.6	0	0	113.9	R132 V179 L180	R132-Q136 HydrophobicContact CG-CG 4.27Å; R132-Q136 VanDerWaalsContact O-CB 3.31Å; R132-Q136 WeakPolarHBondContact O-CB 3.5Å; R132-Q136 VanDerWaalsContact O-CG 3.25Å; R132-Q136 WeakPolarHBondContact O-CG 3.46Å; R132-Q136 PolarHBondContact O-N 3.45Å; Q136-V179 HydrophobicContact CG-CG1 3.42Å; Q136-V179 VanDerWaalsContact CG-CG1 3.42Å; Q136-L180 PolarHBondContact NE2-O 2.69Å; Q136-L180 VanDerWaalsContact NE2-O 3.14Å
137	K	94.7	Very high	97	Very high	150 Å²	150	69.3 Å²	69.3	65%	0.652	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	9	179.3	-66.9	-173	174.8	-166.4	0	112.7	R133 I135 L139	R133-K137 WeakPolarHBondContact O-CB 3.16Å; R133-K137 PolarHBondContact O-N 3.19Å; I135-K137 VanDerWaalsContact C-N 3.3Å; I135-K137 PolarHBondContact O-N 3.03Å; K137-L139 VanDerWaalsContact C-N 3.27Å; K137-L139 HydrophobicContact CB-CD1 3.94Å; K137-L139 HydrophobicContact CB-CD2 3.89Å; K137-L139 HydrophobicContact CB-CG 3.61Å; K137-L139 HydrophobicContact CD-CD1 4.33Å; K137-L139 PolarHBondContact O-N 3.03Å
138	N	95.4	Very high	96.8	Very high	105 Å²	105	76.7 Å²	76.7	56%	0.561	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.3	48.9	-176	-166	25.8	0	0	0	113.4	T134 I135 H140 P141	T134-N138 WeakPolarHBondContact O-CA 3.33Å; T134-N138 PolarHBondContact O-N 3.35Å; I135-N138 PolarHBondContact O-N 2.76Å; I135-N138 VanDerWaalsContact O-N 3.08Å; N138-H140 PolarHBondContact OD1-NE2 2.92Å; N138-P141 VanDerWaalsContact O-CD 3.28Å; N138-P141 WeakPolarHBondContact O-CD 3.18Å
139	L	97.5	Very high	96.7	Very high	56 Å²	56	75 Å²	75	29%	0.293	38%	0.375	S	S	.	.			trans	-88.5	-17.4	-172.9	-59.3	175	0	0	0	113.4	T134 K137 P141 S142 Y143	T134-L139 HydrophobicContact CG2-CB 4.47Å; T134-L139 PolarHBondContact O-N 3.2Å; K137-L139 VanDerWaalsContact C-N 3.27Å; K137-L139 HydrophobicContact CB-CD1 3.94Å; K137-L139 HydrophobicContact CB-CD2 3.89Å; K137-L139 HydrophobicContact CB-CG 3.61Å; K137-L139 HydrophobicContact CD-CD1 4.33Å; K137-L139 PolarHBondContact O-N 3.03Å; L139-P141 VanDerWaalsContact C-N 3.3Å; L139-S142 PolarHBondContact O-N 2.9Å; L139-S142 PolarHBondContact O-OG 3.08Å; L139-Y143 HydrophobicContact CB-CE1 3.63Å; L139-Y143 HydrophobicContact CB-CE2 4.49Å; L139-Y143 WeakPolarHBondContact CB-OH 3.48Å; L139-Y143 VanDerWaalsContact O-CD1 3.29Å; L139-Y143 WeakPolarHBondContact O-CD1 3.34Å; L139-Y143 WeakPolarHBondContact O-CE1 3.41Å; L139-Y143 PolarHBondContact O-N 2.9Å
140	H	96.4	Very high	96.6	Very high	76 Å²	76	82.2 Å²	82.2	35%	0.352	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-58.1	-33	-176.5	68.7	84.4	0	0	0	114.6	T134 N138 S142 Y143 F166	T134-H140 HydrophobicContact CG2-CB 3.77Å; N138-H140 PolarHBondContact OD1-NE2 2.92Å; H140-S142 VanDerWaalsContact C-N 3.26Å; H140-S142 PolarHBondContact O-N 3.42Å; H140-Y143 PolarHBondContact O-N 3.07Å; H140-F166 HydrophobicContact CB-CD1 3.56Å; H140-F166 HydrophobicContact CB-CE1 3.29Å; H140-F166 HydrophobicContact CB-CE2 4.39Å; H140-F166 HydrophobicContact CB-CG 4.22Å; H140-F166 HydrophobicContact CB-CZ 3.75Å; H140-F166 AromaticContact CG-CE1 3.77Å
141	P	97.3	Very high	96.6	Very high	89 Å²	89	83.2 Å²	83.2	58%	0.578	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-69.9	-22	176.3	-17.3	33.5	0	0	0	113.2	N138 L139	N138-P141 VanDerWaalsContact O-CD 3.28Å; N138-P141 WeakPolarHBondContact O-CD 3.18Å; L139-P141 VanDerWaalsContact C-N 3.3Å
142	S	97.2	Very high	96.5	Very high	87 Å²	87	88.5 Å²	88.5	61%	0.608	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-89.9	-5	179.3	69.7	0	0	0	0	113.4	L139 H140	L139-S142 PolarHBondContact O-N 2.9Å; L139-S142 PolarHBondContact O-OG 3.08Å; H140-S142 VanDerWaalsContact C-N 3.26Å; H140-S142 PolarHBondContact O-N 3.42Å
143	Y	97.8	Very high	96.5	Very high	26 Å²	26	84.6 Å²	84.6	10%	0.102	43%	0.429	C	S	.	.			trans	-78.6	130.6	177.8	-64.2	-15.8	0	0	0	111.1	F130 T134 L139 H140 Q162 F166	F130-Y143 HydrophobicContact CE2-CE2 4.17Å; F130-Y143 AromaticContact CZ-CE2 3.89Å; F130-Y143 HydrophobicContact CZ-CE2 3.89Å; T134-Y143 HydrophobicContact CG2-CD2 4.37Å; T134-Y143 HydrophobicContact CG2-CE2 3.43Å; T134-Y143 VanDerWaalsContact CG2-CE2 3.43Å; T134-Y143 PolarHBondContact OG1-OH 2.9Å; L139-Y143 HydrophobicContact CB-CE1 3.63Å; L139-Y143 HydrophobicContact CB-CE2 4.49Å; L139-Y143 WeakPolarHBondContact CB-OH 3.48Å; L139-Y143 VanDerWaalsContact O-CD1 3.29Å; L139-Y143 WeakPolarHBondContact O-CD1 3.34Å; L139-Y143 WeakPolarHBondContact O-CE1 3.41Å; L139-Y143 PolarHBondContact O-N 2.9Å; H140-Y143 PolarHBondContact O-N 3.07Å; Y143-Q162 HydrophobicContact CD1-CB 3.83Å; Y143-Q162 VanDerWaalsContact CD1-OE1 3.27Å; Y143-Q162 HydrophobicContact CD2-CB 3.88Å; Y143-Q162 HydrophobicContact CE1-CB 3.93Å; Y143-Q162 HydrophobicContact CE1-CG 4.44Å; Y143-Q162 HydrophobicContact CE2-CB 3.96Å; Y143-Q162 HydrophobicContact CG-CB 3.82Å; Y143-F166 HydrophobicContact CD2-CB 4.11Å; Y143-F166 HydrophobicContact CE2-CB 4.19Å
144	S	96.9	Very high	96.5	Very high	100 Å²	100	81.6 Å²	81.6	70%	0.699	42%	0.422	S	S	*	.			trans	-133.7	135.9	172.7	58.3	0	0	0	0	111
145	C	97.9	Very high	96.5	Very high	25 Å²	25	87.3 Å²	87.3	17%	0.169	45%	0.447	C	S	.	.			trans	-80	139	172	-172.5	0	0	0	0	109.5	Y147 G149 C161 E163	C145-Y147 PolarHBondContact SG-N 3.04Å; C145-G149 PolarHBondContact SG-N 2.87Å; C145-G149 VanDerWaalsContact SG-N 3.43Å; C145-C161 VanDerWaalsContact SG-SG 3.69Å; C145-E163 WeakPolarHBondContact CA-OE2 3.2Å; C145-E163 HydrophobicContact CB-CB 4.44Å; C145-E163 WeakPolarHBondContact CB-OE2 3.08Å; C145-E163 PolarHBondContact N-OE2 3.14Å
146	K	95.7	Very high	96.5	Very high	195 Å²	195	91.2 Å²	91.2	85%	0.848	47%	0.472	S	S	*	.	S	Bend	trans	-83.1	-2.6	173.6	-60.1	-176.8	179.2	-177.3	0	113.2
147	Y	95	Very high	96.6	Very high	172 Å²	172	90.2 Å²	90.2	68%	0.675	47%	0.469	S	S	*	.	S	Bend	trans	-129.3	-151	-174.1	-50.3	-77.5	0	0	0	109.1	C145 G149	C145-Y147 PolarHBondContact SG-N 3.04Å; Y147-G149 VanDerWaalsContact C-N 3.27Å; Y147-G149 PolarHBondContact O-N 3.45Å
148	E	94.8	Very high	96.7	Very high	155 Å²	155	85 Å²	85	72%	0.724	45%	0.445	S	S	*	.	S	Bend	trans	-81.1	11	-176.4	-57.9	-176.4	-173.1	0	0	115.5	K150	E148-K150 PolarHBondContact O-N 3.4Å; E148-K150 IonicContact OE2-NZ 2.8Å; E148-K150 PolarHBondContact OE2-NZ 3.3Å
149	G	94.9	Very high	96.8	Very high	24 Å²	24	85.5 Å²	85.5	25%	0.247	45%	0.448	C	S	.	.	S	Bend	trans	69.1	18.1	-175.5	0	0	0	0	0	114.6	C145 Y147 C164	C145-G149 PolarHBondContact SG-N 2.87Å; C145-G149 VanDerWaalsContact SG-N 3.43Å; Y147-G149 VanDerWaalsContact C-N 3.27Å; Y147-G149 PolarHBondContact O-N 3.45Å; G149-C164 PolarHBondContact O-SG 3.39Å
150	K	96.1	Very high	96.8	Very high	161 Å²	161	89.7 Å²	89.7	70%	0.7	47%	0.466	S	S	*	.			trans	-120	26.5	180	-60.6	173.8	-170.2	157.9	0	113.1	E148 V152	E148-K150 PolarHBondContact O-N 3.4Å; E148-K150 IonicContact OE2-NZ 2.8Å; E148-K150 PolarHBondContact OE2-NZ 3.3Å; K150-V152 PolarHBondContact O-N 3.09Å
151	C	97.9	Very high	96.9	Very high	33 Å²	33	86.5 Å²	86.5	22%	0.223	45%	0.452	C	S	.	.			trans	-58.2	134.9	-178.6	-59.4	0	0	0	0	111.1	I153 C161 C164	C151-I153 PolarHBondContact O-N 3.11Å; C151-C161 HydrophobicContact CB-CB 4.03Å; C151-C164 HydrophobicContact CB-CB 3.78Å; C151-C164 PolarHBondContact N-SG 3.32Å
152	V	97.2	Very high	96.9	Very high	112 Å²	112	87.3 Å²	87.3	68%	0.679	45%	0.448	S	S	*	.			trans	-66	133.2	171	179.6	0	0	0	0	108.6	K150 T157	K150-V152 PolarHBondContact O-N 3.09Å; V152-T157 PolarHBondContact O-OG1 2.87Å
153	I	98.1	Very high	96.9	Very high	8 Å²	8	85.2 Å²	85.2	4%	0.041	43%	0.429	C	S	.	.			trans	-115.8	101.1	179.2	-55.4	-60.8	0	0	0	108.1	V109 C110 C151 R158 C164 R165 K168	V109-I153 HydrophobicContact CG1-CG2 4.16Å; V109-I153 WeakPolarHBondContact O-CG2 3.26Å; C110-I153 HydrophobicContact CB-CG2 4.22Å; C151-I153 PolarHBondContact O-N 3.11Å; I153-R158 HydrophobicContact CG2-CB 3.95Å; I153-C164 HydrophobicContact CD1-CB 4.01Å; I153-C164 HydrophobicContact CG1-CB 4.43Å; I153-R165 HydrophobicContact CD1-CB 4.01Å; I153-R165 HydrophobicContact CG2-CG 4.1Å; I153-K168 HydrophobicContact CB-CD 3.72Å; I153-K168 HydrophobicContact CG1-CD 4.13Å; I153-K168 HydrophobicContact CG2-CD 4.16Å; I153-K168 PolarHBondContact O-NZ 3.48Å
154	D	97.7	Very high	97	Very high	55 Å²	55	84.3 Å²	84.3	29%	0.294	43%	0.427	S	S	.	.			trans	-125.4	-178.1	174	64.9	59.5	0	0	0	111.1	C110 V156 T157 R158	C110-D154 CarbonylContact O-C 3.54Å; C110-D154 WeakPolarHBondContact O-CA 3.37Å; D154-V156 PolarHBondContact O-N 3.41Å; D154-V156 WeakPolarHBondContact OD1-CA 3.33Å; D154-V156 WeakPolarHBondContact OD1-CB 3.35Å; D154-V156 PolarHBondContact OD1-N 3.23Å; D154-T157 PolarHBondContact N-OG1 3.4Å; D154-T157 PolarHBondContact O-N 3.48Å; D154-T157 PolarHBondContact OD1-N 2.87Å; D154-T157 PolarHBondContact OD1-OG1 3.02Å; D154-T157 VanDerWaalsContact OD1-OG1 3.09Å; D154-T157 WeakPolarHBondContact OD2-CG2 3.26Å; D154-T157 PolarHBondContact OD2-OG1 3.22Å; D154-R158 WeakPolarHBondContact O-CA 3.46Å; D154-R158 WeakPolarHBondContact O-CB 3.44Å; D154-R158 WeakPolarHBondContact O-CG 3.24Å; D154-R158 PolarHBondContact O-N 3.05Å
155	K	96.7	Very high	97.1	Very high	120 Å²	120	80 Å²	80	52%	0.522	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-36.4	-178.3	179.4	175.5	-178.5	150.6	0	113.4	C110 D112	C110-K155 PolarHBondContact O-N 3.28Å; D112-K155 HydrophobicContact CB-CB 4.23Å; D112-K155 HydrophobicContact CB-CD 4.26Å; D112-K155 HydrophobicContact CB-CG 4.11Å; D112-K155 WeakPolarHBondContact OD1-CD 3.38Å; D112-K155 WeakPolarHBondContact OD1-CE 3.43Å; D112-K155 IonicContact OD1-NZ 3.43Å; D112-K155 PolarHBondContact OD1-NZ 3.05Å
156	V	96.9	Very high	97.1	Very high	121 Å²	121	79.9 Å²	79.9	73%	0.733	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-45.2	-176.8	-174.5	0	0	0	0	110.3	D154	D154-V156 PolarHBondContact O-N 3.41Å; D154-V156 WeakPolarHBondContact OD1-CA 3.33Å; D154-V156 WeakPolarHBondContact OD1-CB 3.35Å; D154-V156 PolarHBondContact OD1-N 3.23Å
157	T	97.2	Very high	97.2	Very high	25 Å²	25	75.6 Å²	75.6	15%	0.153	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-12.9	-171.5	59.6	0	0	0	0	114.3	V152 D154 N159 Q160	V152-T157 PolarHBondContact O-OG1 2.87Å; D154-T157 PolarHBondContact N-OG1 3.4Å; D154-T157 PolarHBondContact O-N 3.48Å; D154-T157 PolarHBondContact OD1-N 2.87Å; D154-T157 PolarHBondContact OD1-OG1 3.02Å; D154-T157 VanDerWaalsContact OD1-OG1 3.09Å; D154-T157 WeakPolarHBondContact OD2-CG2 3.26Å; D154-T157 PolarHBondContact OD2-OG1 3.22Å; T157-N159 PolarHBondContact O-N 2.92Å; T157-Q160 WeakPolarHBondContact O-CB 3.36Å; T157-Q160 WeakPolarHBondContact O-CG 3.25Å; T157-Q160 PolarHBondContact O-N 3.24Å
158	R	97.1	Very high	97.4	Very high	39 Å²	39	70.6 Å²	70.6	15%	0.147	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-17.9	-175	63	-174.8	-171.5	-167.6	-5.6	116.2	C110 D112 C124 I153 D154 R165	C110-R158 HydrophobicContact CB-CB 4.09Å; C110-R158 PolarHBondContact SG-NH1 3.38Å; C110-R158 VanDerWaalsContact SG-NH1 3.39Å; D112-R158 IonicContact OD2-CZ 2.86Å; D112-R158 IonicContact OD2-NH1 2.83Å; D112-R158 PolarHBondContact OD2-NH1 2.78Å; D112-R158 IonicContact OD2-NH2 3.82Å; D112-R158 PolarHBondContact OD2-NH2 2.77Å; C124-R158 PolarHBondContact SG-NH1 3.23Å; I153-R158 HydrophobicContact CG2-CB 3.95Å; D154-R158 WeakPolarHBondContact O-CA 3.46Å; D154-R158 WeakPolarHBondContact O-CB 3.44Å; D154-R158 WeakPolarHBondContact O-CG 3.24Å; D154-R158 PolarHBondContact O-N 3.05Å; R158-R165 WeakPolarHBondContact O-CD 3.3Å; R158-R165 PolarHBondContact O-NH1 2.89Å; R158-R165 VanDerWaalsContact O-NH1 3.13Å
159	N	96.7	Very high	97.6	Very high	116 Å²	116	63.2 Å²	63.2	62%	0.62	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-6.1	179	-66.2	-29.9	0	0	0	113.7	T157 R165	T157-N159 PolarHBondContact O-N 2.92Å; N159-R165 PolarHBondContact OD1-NH1 2.82Å
160	Q	96.9	Very high	97.7	Very high	144 Å²	144	65.7 Å²	65.7	67%	0.673	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-31.8	-174.6	-64.4	175	-5	0	0	113.3	T157	T157-Q160 WeakPolarHBondContact O-CB 3.36Å; T157-Q160 WeakPolarHBondContact O-CG 3.25Å; T157-Q160 PolarHBondContact O-N 3.24Å
161	C	98.1	Very high	97.8	Very high	9 Å²	9	67.6 Å²	67.6	6%	0.061	33%	0.331	C	S	.	.			trans	-137	108.7	178.4	-174.9	0	0	0	0	111.4	C145 C151 C164 R165	C145-C161 VanDerWaalsContact SG-SG 3.69Å; C151-C161 HydrophobicContact CB-CB 4.03Å; C161-C164 HydrophobicContact CB-CB 4.15Å; C161-C164 PolarHBondContact SG-N 3.42Å; C161-C164 VanDerWaalsContact SG-N 3.44Å; C161-R165 WeakPolarHBondContact O-CB 3.35Å; C161-R165 PolarHBondContact O-N 3.16Å; C161-R165 VanDerWaalsContact O-N 3.11Å
162	Q	98	Very high	97.8	Very high	106 Å²	106	68 Å²	68	50%	0.495	33%	0.333	S	S	.	.	H	α-helix	trans	-68.3	-37.7	179.2	-64.9	175.4	-10.7	0	0	112	F130 Y143 R165 F166	F130-Q162 HydrophobicContact CE2-CB 4.27Å; F130-Q162 HydrophobicContact CE2-CG 4.28Å; F130-Q162 HydrophobicContact CZ-CB 4.44Å; Y143-Q162 HydrophobicContact CD1-CB 3.83Å; Y143-Q162 VanDerWaalsContact CD1-OE1 3.27Å; Y143-Q162 HydrophobicContact CD2-CB 3.88Å; Y143-Q162 HydrophobicContact CE1-CB 3.93Å; Y143-Q162 HydrophobicContact CE1-CG 4.44Å; Y143-Q162 HydrophobicContact CE2-CB 3.96Å; Y143-Q162 HydrophobicContact CG-CB 3.82Å; Q162-R165 PolarHBondContact O-N 3.27Å; Q162-F166 WeakPolarHBondContact O-CB 3.32Å; Q162-F166 PolarHBondContact O-N 3.46Å
163	E	98.4	Very high	97.9	Very high	44 Å²	44	64.8 Å²	64.8	21%	0.206	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-55	177.9	-168.3	-167.6	179.9	0	0	111.1	C145 R165 F166 K167	C145-E163 WeakPolarHBondContact CA-OE2 3.2Å; C145-E163 HydrophobicContact CB-CB 4.44Å; C145-E163 WeakPolarHBondContact CB-OE2 3.08Å; C145-E163 PolarHBondContact N-OE2 3.14Å; E163-R165 VanDerWaalsContact C-N 3.31Å; E163-R165 PolarHBondContact O-N 3.08Å; E163-F166 PolarHBondContact O-N 2.91Å; E163-K167 HydrophobicContact CG-CD 4.31Å; E163-K167 WeakPolarHBondContact O-CB 3.39Å; E163-K167 WeakPolarHBondContact O-CG 3.4Å; E163-K167 PolarHBondContact O-N 2.81Å; E163-K167 WeakPolarHBondContact OE1-CE 3.46Å; E163-K167 IonicContact OE1-NZ 2.82Å; E163-K167 PolarHBondContact OE1-NZ 3.39Å
164	C	98.6	Very high	97.9	Very high	7 Å²	7	64.7 Å²	64.7	5%	0.047	32%	0.321	C	S	.	.	H	α-helix	trans	-64.2	-36.5	-179.3	-67.1	0	0	0	0	112	G149 C151 I153 C161 K168	G149-C164 PolarHBondContact O-SG 3.39Å; C151-C164 HydrophobicContact CB-CB 3.78Å; C151-C164 PolarHBondContact N-SG 3.32Å; I153-C164 HydrophobicContact CD1-CB 4.01Å; I153-C164 HydrophobicContact CG1-CB 4.43Å; C161-C164 HydrophobicContact CB-CB 4.15Å; C161-C164 PolarHBondContact SG-N 3.42Å; C161-C164 VanDerWaalsContact SG-N 3.44Å; C164-K168 WeakPolarHBondContact O-CB 3.29Å; C164-K168 PolarHBondContact O-N 3.15Å
165	R	98.6	Very high	97.8	Very high	8 Å²	8	62.7 Å²	62.7	3%	0.03	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-45.6	174.9	-168.1	-166.7	-169.3	157.9	-5.7	111.7	V109 G126 C127 F130 I153 R158 N159 C161 Q162 E163 K168 C169	V109-R165 HydrophobicContact CG1-CG 4.4Å; G126-R165 PolarHBondContact O-NH2 3.02Å; C127-R165 PolarHBondContact SG-NH2 3.36Å; C127-R165 VanDerWaalsContact SG-NH2 3.38Å; F130-R165 VanDerWaalsContact CD1-CD 3.46Å; F130-R165 HydrophobicContact CD1-CG 4.01Å; F130-R165 HydrophobicContact CE1-CB 4Å; F130-R165 HydrophobicContact CE1-CG 3.74Å; F130-R165 HydrophobicContact CZ-CB 4.06Å; F130-R165 HydrophobicContact CZ-CG 4.2Å; I153-R165 HydrophobicContact CD1-CB 4.01Å; I153-R165 HydrophobicContact CG2-CG 4.1Å; R158-R165 WeakPolarHBondContact O-CD 3.3Å; R158-R165 PolarHBondContact O-NH1 2.89Å; R158-R165 VanDerWaalsContact O-NH1 3.13Å; N159-R165 PolarHBondContact OD1-NH1 2.82Å; C161-R165 WeakPolarHBondContact O-CB 3.35Å; C161-R165 PolarHBondContact O-N 3.16Å; C161-R165 VanDerWaalsContact O-N 3.11Å; Q162-R165 PolarHBondContact O-N 3.27Å; E163-R165 VanDerWaalsContact C-N 3.31Å; E163-R165 PolarHBondContact O-N 3.08Å; R165-K168 PolarHBondContact O-N 3.35Å; R165-C169 PolarHBondContact O-N 3.04Å; R165-C169 PolarHBondContact O-SG 3.26Å; R165-C169 VanDerWaalsContact O-SG 3.35Å
166	F	98.6	Very high	97.8	Very high	24 Å²	24	60 Å²	60	11%	0.105	31%	0.306	C	S	.	.	H	α-helix	trans	-66.8	-43.7	178.2	-178.3	-108.3	0	0	0	111.9	F130 F131 T134 I135 H140 Y143 Q162 E163 K168 C169 I170	F130-F166 HydrophobicContact CE1-CB 3.95Å; F130-F166 HydrophobicContact CE1-CD2 4.45Å; F130-F166 HydrophobicContact CZ-CB 3.98Å; F131-F166 HydrophobicContact CD2-CD2 4.31Å; F131-F166 HydrophobicContact CD2-CE2 4.06Å; F131-F166 AromaticContact CE2-CE2 3.95Å; F131-F166 HydrophobicContact CE2-CE2 3.95Å; T134-F166 HydrophobicContact CG2-CD2 3.47Å; T134-F166 VanDerWaalsContact CG2-CD2 3.47Å; T134-F166 HydrophobicContact CG2-CE2 3.63Å; T134-F166 HydrophobicContact CG2-CG 3.99Å; T134-F166 HydrophobicContact CG2-CZ 4.27Å; I135-F166 HydrophobicContact CD1-CE2 3.7Å; I135-F166 HydrophobicContact CD1-CZ 3.73Å; I135-F166 HydrophobicContact CG1-CE2 4.4Å; H140-F166 HydrophobicContact CB-CD1 3.56Å; H140-F166 HydrophobicContact CB-CE1 3.29Å; H140-F166 HydrophobicContact CB-CE2 4.39Å; H140-F166 HydrophobicContact CB-CG 4.22Å; H140-F166 HydrophobicContact CB-CZ 3.75Å; H140-F166 AromaticContact CG-CE1 3.77Å; Y143-F166 HydrophobicContact CD2-CB 4.11Å; Y143-F166 HydrophobicContact CE2-CB 4.19Å; Q162-F166 WeakPolarHBondContact O-CB 3.32Å; Q162-F166 PolarHBondContact O-N 3.46Å; E163-F166 PolarHBondContact O-N 2.91Å; F166-K168 VanDerWaalsContact C-N 3.26Å; F166-K168 PolarHBondContact O-N 2.67Å; F166-C169 WeakPolarHBondContact O-CA 3.37Å; F166-C169 WeakPolarHBondContact O-CB 3.49Å; F166-C169 PolarHBondContact O-N 3.35Å; F166-I170 HydrophobicContact CD1-CG1 4.32Å; F166-I170 HydrophobicContact CE1-CD1 4.34Å; F166-I170 HydrophobicContact CE1-CG1 3.83Å; F166-I170 HydrophobicContact CE2-CD1 4.1Å; F166-I170 HydrophobicContact CE2-CG1 4.1Å; F166-I170 HydrophobicContact CZ-CD1 3.76Å; F166-I170 HydrophobicContact CZ-CG1 3.72Å; F166-I170 PolarHBondContact O-N 3.04Å
167	K	98.2	Very high	97.7	Very high	104 Å²	104	59.3 Å²	59.3	45%	0.452	30%	0.298	S	S	.	.	H	α-helix	trans	-54.5	-43.7	171.9	-75.3	-179.2	-179.3	172.9	0	111.3	E163 I170 Y171	E163-K167 HydrophobicContact CG-CD 4.31Å; E163-K167 WeakPolarHBondContact O-CB 3.39Å; E163-K167 WeakPolarHBondContact O-CG 3.4Å; E163-K167 PolarHBondContact O-N 2.81Å; E163-K167 WeakPolarHBondContact OE1-CE 3.46Å; E163-K167 IonicContact OE1-NZ 2.82Å; E163-K167 PolarHBondContact OE1-NZ 3.39Å; K167-I170 PolarHBondContact O-N 3.03Å; K167-Y171 VanDerWaalsContact O-CB 3.29Å; K167-Y171 WeakPolarHBondContact O-CB 3.37Å; K167-Y171 PolarHBondContact O-N 2.9Å
168	K	98.6	Very high	97.6	Very high	68 Å²	68	61.9 Å²	61.9	30%	0.296	31%	0.311	S	S	.	.	H	α-helix	trans	-65.5	-40.2	175.5	-166.9	170.6	-179.2	-174.5	0	112.5	V109 I153 C164 R165 F166 I170 Y171 V172	V109-K168 HydrophobicContact CG1-CB 4.47Å; V109-K168 HydrophobicContact CG1-CD 4.46Å; V109-K168 HydrophobicContact CG1-CG 4.36Å; V109-K168 WeakPolarHBondContact O-CD 3.46Å; V109-K168 WeakPolarHBondContact O-CE 3.41Å; V109-K168 PolarHBondContact O-NZ 3.29Å; I153-K168 HydrophobicContact CB-CD 3.72Å; I153-K168 HydrophobicContact CG1-CD 4.13Å; I153-K168 HydrophobicContact CG2-CD 4.16Å; I153-K168 PolarHBondContact O-NZ 3.48Å; C164-K168 WeakPolarHBondContact O-CB 3.29Å; C164-K168 PolarHBondContact O-N 3.15Å; R165-K168 PolarHBondContact O-N 3.35Å; F166-K168 VanDerWaalsContact C-N 3.26Å; F166-K168 PolarHBondContact O-N 2.67Å; K168-I170 VanDerWaalsContact C-N 3.33Å; K168-I170 PolarHBondContact O-N 3.5Å; K168-Y171 PolarHBondContact O-N 2.92Å; K168-V172 HydrophobicContact CG-CG1 4.39Å; K168-V172 WeakPolarHBondContact O-CG1 3.27Å; K168-V172 WeakPolarHBondContact O-CG2 3.27Å; K168-V172 PolarHBondContact O-N 3.3Å
169	C	98.6	Very high	97.5	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57	-44.8	173.1	-72.3	0	0	0	0	112.4	F131 R165 F166 V172 M174	F131-C169 HydrophobicContact CD2-CB 3.62Å; F131-C169 HydrophobicContact CE2-CB 4.08Å; R165-C169 PolarHBondContact O-N 3.04Å; R165-C169 PolarHBondContact O-SG 3.26Å; R165-C169 VanDerWaalsContact O-SG 3.35Å; F166-C169 WeakPolarHBondContact O-CA 3.37Å; F166-C169 WeakPolarHBondContact O-CB 3.49Å; F166-C169 PolarHBondContact O-N 3.35Å; C169-V172 VanDerWaalsContact O-CG2 3.24Å; C169-V172 WeakPolarHBondContact O-CG2 3.46Å; C169-M174 HydrophobicContact CB-CB 4.43Å; C169-M174 HydrophobicContact CB-CG 4.28Å; C169-M174 HydrophobicContact CB-SD 3.68Å; C169-M174 VanDerWaalsContact O-CB 3.26Å; C169-M174 WeakPolarHBondContact O-CB 3.47Å; C169-M174 WeakPolarHBondContact O-CG 3.25Å; C169-M174 PolarHBondContact O-N 2.9Å; C169-M174 VanDerWaalsContact SG-SD 3.63Å
170	I	98.3	Very high	97.2	Very high	75 Å²	75	58.1 Å²	58.1	39%	0.385	29%	0.293	S	S	.	.	H	α-helix	trans	-68.9	-43.2	177.5	-63.3	-64.5	0	0	0	110.9	F131 F166 K167 K168 V172 G173 T176	F131-I170 HydrophobicContact CE2-CD1 3.84Å; F131-I170 HydrophobicContact CZ-CD1 4.33Å; F166-I170 HydrophobicContact CD1-CG1 4.32Å; F166-I170 HydrophobicContact CE1-CD1 4.34Å; F166-I170 HydrophobicContact CE1-CG1 3.83Å; F166-I170 HydrophobicContact CE2-CD1 4.1Å; F166-I170 HydrophobicContact CE2-CG1 4.1Å; F166-I170 HydrophobicContact CZ-CD1 3.76Å; F166-I170 HydrophobicContact CZ-CG1 3.72Å; F166-I170 PolarHBondContact O-N 3.04Å; K167-I170 PolarHBondContact O-N 3.03Å; K168-I170 VanDerWaalsContact C-N 3.33Å; K168-I170 PolarHBondContact O-N 3.5Å; I170-V172 VanDerWaalsContact C-N 3.34Å; I170-V172 PolarHBondContact O-N 3.45Å; I170-G173 WeakPolarHBondContact O-CA 3.34Å; I170-G173 PolarHBondContact O-N 3.46Å; I170-T176 HydrophobicContact CD1-CG2 3.61Å
171	Y	98.1	Very high	97	Very high	201 Å²	201	54.4 Å²	54.4	79%	0.788	28%	0.278	S	S	*	.	H	α-helix	trans	-59.1	-41.4	179.5	176.9	-100.2	0	0	0	113.1	K167 K168 G173	K167-Y171 VanDerWaalsContact O-CB 3.29Å; K167-Y171 WeakPolarHBondContact O-CB 3.37Å; K167-Y171 PolarHBondContact O-N 2.9Å; K168-Y171 PolarHBondContact O-N 2.92Å; Y171-G173 PolarHBondContact O-N 3.05Å
172	V	97.9	Very high	96.6	Very high	43 Å²	43	58.6 Å²	58.6	26%	0.261	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-1.5	175.9	-57.3	0	0	0	0	113.5	V108 V109 C121 K168 C169 I170 M174	V108-V172 HydrophobicContact CB-CB 4.43Å; V108-V172 HydrophobicContact CB-CG1 4.32Å; V108-V172 HydrophobicContact CG2-CB 3.81Å; V108-V172 HydrophobicContact CG2-CG1 4.13Å; V108-V172 HydrophobicContact CG2-CG2 3.75Å; V109-V172 HydrophobicContact CG2-CG2 3.74Å; C121-V172 PolarHBondContact SG-O 3.45Å; K168-V172 HydrophobicContact CG-CG1 4.39Å; K168-V172 WeakPolarHBondContact O-CG1 3.27Å; K168-V172 WeakPolarHBondContact O-CG2 3.27Å; K168-V172 PolarHBondContact O-N 3.3Å; C169-V172 VanDerWaalsContact O-CG2 3.24Å; C169-V172 WeakPolarHBondContact O-CG2 3.46Å; I170-V172 VanDerWaalsContact C-N 3.34Å; I170-V172 PolarHBondContact O-N 3.45Å; V172-M174 HydrophobicContact CG2-CG 4.09Å
173	G	97.8	Very high	96.4	Very high	43 Å²	43	58 Å²	58	44%	0.443	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	23.6	174.5	0	0	0	0	0	115.7	C121 I170 Y171 A175	C121-G173 PolarHBondContact SG-O 3.33Å; I170-G173 WeakPolarHBondContact O-CA 3.34Å; I170-G173 PolarHBondContact O-N 3.46Å; Y171-G173 PolarHBondContact O-N 3.05Å; G173-A175 PolarHBondContact O-N 3.22Å
174	M	98.3	Very high	96.1	Very high	6 Å²	6	61 Å²	61	3%	0.03	32%	0.319	C	S	.	.			trans	-62.7	123.1	174.5	-67.8	-170.6	76.3	0	0	110.2	V109 Y119 C121 T123 F131 C169 V172 T176	V109-M174 HydrophobicContact CG2-SD 4.09Å; Y119-M174 HydrophobicContact CD2-CE 3.53Å; Y119-M174 HydrophobicContact CG-CE 4.19Å; Y119-M174 WeakPolarHBondContact O-CA 3.5Å; C121-M174 HydrophobicContact CB-CG 4.01Å; C121-M174 PolarHBondContact SG-N 2.96Å; C121-M174 VanDerWaalsContact SG-N 3.4Å; T123-M174 HydrophobicContact CG2-CE 4.27Å; T123-M174 HydrophobicContact CG2-SD 4.13Å; F131-M174 HydrophobicContact CB-CE 3.57Å; F131-M174 HydrophobicContact CB-SD 4Å; F131-M174 HydrophobicContact CD1-CB 4.27Å; F131-M174 HydrophobicContact CD1-CE 3.74Å; F131-M174 HydrophobicContact CD2-CB 3.89Å; F131-M174 HydrophobicContact CD2-CE 4.22Å; F131-M174 HydrophobicContact CD2-SD 3.94Å; F131-M174 HydrophobicContact CE1-CB 3.92Å; F131-M174 HydrophobicContact CE1-CE 4.46Å; F131-M174 HydrophobicContact CE2-CB 3.51Å; F131-M174 HydrophobicContact CG-CB 4.24Å; F131-M174 HydrophobicContact CG-CE 3.58Å; F131-M174 HydrophobicContact CG-SD 3.9Å; F131-M174 HydrophobicContact CZ-CB 3.52Å; F131-M174 VanDerWaalsContact CZ-O 3.25Å; F131-M174 WeakPolarHBondContact CZ-O 3.4Å; C169-M174 HydrophobicContact CB-CB 4.43Å; C169-M174 HydrophobicContact CB-CG 4.28Å; C169-M174 HydrophobicContact CB-SD 3.68Å; C169-M174 VanDerWaalsContact O-CB 3.26Å; C169-M174 WeakPolarHBondContact O-CB 3.47Å; C169-M174 WeakPolarHBondContact O-CG 3.25Å; C169-M174 PolarHBondContact O-N 2.9Å; C169-M174 VanDerWaalsContact SG-SD 3.63Å; V172-M174 HydrophobicContact CG2-CG 4.09Å; M174-T176 PolarHBondContact O-N 3.2Å
175	A	97.2	Very high	95.8	Very high	13 Å²	13	65.2 Å²	65.2	11%	0.107	34%	0.335	C	S	.	.			trans	-81.1	110.9	-171.8	0	0	0	0	0	111.6	Y119 R120 F131 G173 D177 L178	Y119-A175 PolarHBondContact O-N 2.89Å; R120-A175 HydrophobicContact CB-CB 4.42Å; R120-A175 HydrophobicContact CG-CB 3.9Å; F131-A175 WeakPolarHBondContact CE1-O 3.28Å; G173-A175 PolarHBondContact O-N 3.22Å; A175-D177 WeakPolarHBondContact CB-OD1 3.31Å; A175-L178 HydrophobicContact CB-CB 4.48Å; A175-L178 HydrophobicContact CB-CD1 3.97Å; A175-L178 HydrophobicContact CB-CG 3.98Å
176	T	95.5	Very high	95.5	Very high	63 Å²	63	70.7 Å²	70.7	39%	0.387	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-70	-33.4	-176.7	53.8	0	0	0	0	112.7	F131 I135 I170 M174 L178 V179	F131-T176 HydrophobicContact CE1-CG2 4.49Å; F131-T176 HydrophobicContact CE2-CG2 4.18Å; F131-T176 HydrophobicContact CZ-CG2 3.58Å; I135-T176 HydrophobicContact CD1-CG2 3.61Å; I135-T176 HydrophobicContact CG1-CG2 4.15Å; I170-T176 HydrophobicContact CD1-CG2 3.61Å; M174-T176 PolarHBondContact O-N 3.2Å; T176-L178 PolarHBondContact O-N 2.96Å; T176-V179 WeakPolarHBondContact O-CB 3.34Å; T176-V179 PolarHBondContact O-N 3.43Å; T176-V179 VanDerWaalsContact O-N 3.09Å
177	D	94.4	Very high	95.3	Very high	108 Å²	108	72.3 Å²	72.3	58%	0.578	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-64.2	-23	179.1	63.2	-47.5	0	0	0	113.6	A175 V179	A175-D177 WeakPolarHBondContact CB-OD1 3.31Å; D177-V179 VanDerWaalsContact C-N 3.3Å
178	L	95.8	Very high	95.1	Very high	79 Å²	79	73 Å²	73	41%	0.414	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-80.4	-9	175.1	-64.9	-172.1	0	0	0	113.6	Y119 R120 A175 T176 L180	Y119-L178 HydrophobicContact CD1-CB 3.93Å; R120-L178 HydrophobicContact CG-CD1 3.6Å; A175-L178 HydrophobicContact CB-CB 4.48Å; A175-L178 HydrophobicContact CB-CD1 3.97Å; A175-L178 HydrophobicContact CB-CG 3.98Å; T176-L178 PolarHBondContact O-N 2.96Å; L178-L180 PolarHBondContact O-N 2.85Å
179	V	95.4	Very high	94.9	Very high	9 Å²	9	77.4 Å²	77.4	6%	0.055	40%	0.399	C	S	.	.	S	Bend	trans	-79.4	116.2	172.6	-178.9	0	0	0	0	108.6	Y119 F131 R132 I135 Q136 T176 D177 D181	Y119-V179 HydrophobicContact CD1-CG2 3.72Å; Y119-V179 HydrophobicContact CE1-CB 4.28Å; Y119-V179 HydrophobicContact CE1-CG2 3.44Å; Y119-V179 VanDerWaalsContact CE1-CG2 3.44Å; F131-V179 HydrophobicContact CD1-CG2 3.99Å; F131-V179 HydrophobicContact CE1-CG2 3.83Å; R132-V179 HydrophobicContact CG-CG1 4.19Å; I135-V179 HydrophobicContact CB-CB 4.14Å; I135-V179 HydrophobicContact CB-CG1 4.02Å; I135-V179 HydrophobicContact CB-CG2 4.05Å; I135-V179 HydrophobicContact CG1-CG2 4.23Å; I135-V179 HydrophobicContact CG2-CB 3.79Å; I135-V179 HydrophobicContact CG2-CG1 3.91Å; I135-V179 HydrophobicContact CG2-CG2 4.15Å; Q136-V179 HydrophobicContact CG-CG1 3.42Å; Q136-V179 VanDerWaalsContact CG-CG1 3.42Å; T176-V179 WeakPolarHBondContact O-CB 3.34Å; T176-V179 PolarHBondContact O-N 3.43Å; T176-V179 VanDerWaalsContact O-N 3.09Å; D177-V179 VanDerWaalsContact C-N 3.3Å; V179-D181 PolarHBondContact O-N 3.24Å; V179-D181 VanDerWaalsContact O-N 3.16Å
180	L	90.9	Very high	94.8	Very high	66 Å²	66	83.9 Å²	83.9	35%	0.346	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-59.1	120.8	178	-61.9	169.5	0	0	0	110.4	Q136 L178 K184 K188	Q136-L180 PolarHBondContact NE2-O 2.69Å; Q136-L180 VanDerWaalsContact NE2-O 3.14Å; L178-L180 PolarHBondContact O-N 2.85Å; L180-K184 HydrophobicContact CB-CB 4.24Å; L180-K184 HydrophobicContact CD2-CB 3.78Å; L180-K184 HydrophobicContact CD2-CD 4.05Å; L180-K188 HydrophobicContact CD1-CD 3.95Å
181	D	91.4	Very high	94.6	Very high	67 Å²	67	84.8 Å²	84.8	36%	0.358	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-62.7	170.5	166.1	59.7	58.5	0	0	0	111.6	V179 S183 K184 R185	V179-D181 PolarHBondContact O-N 3.24Å; V179-D181 VanDerWaalsContact O-N 3.16Å; D181-S183 VanDerWaalsContact C-N 3.29Å; D181-S183 PolarHBondContact O-N 3Å; D181-S183 WeakPolarHBondContact OD1-CB 3.2Å; D181-S183 PolarHBondContact OD1-N 3.38Å; D181-S183 VanDerWaalsContact OD1-N 3.15Å; D181-K184 PolarHBondContact O-N 3.33Å; D181-K184 WeakPolarHBondContact OD1-CG 3.26Å; D181-K184 PolarHBondContact OD1-N 3.05Å; D181-K184 VanDerWaalsContact OD2-CD 3.26Å; D181-K184 WeakPolarHBondContact OD2-CD 3.38Å; D181-K184 WeakPolarHBondContact OD2-CE 3.4Å; D181-K184 IonicContact OD2-NZ 2.78Å; D181-K184 PolarHBondContact OD2-NZ 3.2Å; D181-R185 VanDerWaalsContact O-CB 3.3Å; D181-R185 WeakPolarHBondContact O-CB 3.3Å; D181-R185 PolarHBondContact O-N 2.84Å
182	D	90.8	Very high	94.5	Very high	96 Å²	96	78.9 Å²	78.9	51%	0.513	41%	0.414	S	S	.	.	H	α-helix	trans	-60.9	-37.7	-176	-80.8	-30.6	0	0	0	113.1	R185 L186	D182-R185 PolarHBondContact O-N 2.88Å; D182-R185 IonicContact OD1-CZ 2.64Å; D182-R185 IonicContact OD1-NE 3.56Å; D182-R185 PolarHBondContact OD1-NE 3.5Å; D182-R185 IonicContact OD1-NH2 3.45Å; D182-R185 PolarHBondContact OD1-NH2 3.36Å; D182-L186 WeakPolarHBondContact O-CB 3.35Å; D182-L186 PolarHBondContact O-N 2.88Å
183	S	92.9	Very high	94.4	Very high	93 Å²	93	80.9 Å²	80.9	65%	0.65	42%	0.42	S	S	*	.	H	α-helix	trans	-64.4	-51.9	178	-178.6	0	0	0	0	111.3	D181 R185 L186 A187	D181-S183 VanDerWaalsContact C-N 3.29Å; D181-S183 PolarHBondContact O-N 3Å; D181-S183 WeakPolarHBondContact OD1-CB 3.2Å; D181-S183 PolarHBondContact OD1-N 3.38Å; D181-S183 VanDerWaalsContact OD1-N 3.15Å; S183-R185 VanDerWaalsContact C-N 3.3Å; S183-R185 PolarHBondContact O-N 3.36Å; S183-L186 PolarHBondContact O-N 3.13Å; S183-A187 WeakPolarHBondContact O-CB 3.31Å; S183-A187 PolarHBondContact O-N 3.06Å
184	K	92.7	Very high	94.3	Very high	107 Å²	107	83.1 Å²	83.1	47%	0.465	42%	0.419	S	S	.	.	H	α-helix	trans	-64.4	-34.2	178.2	-67.4	174.6	-171.9	137.7	0	112.4	L180 D181 K188	L180-K184 HydrophobicContact CB-CB 4.24Å; L180-K184 HydrophobicContact CD2-CB 3.78Å; L180-K184 HydrophobicContact CD2-CD 4.05Å; D181-K184 PolarHBondContact O-N 3.33Å; D181-K184 WeakPolarHBondContact OD1-CG 3.26Å; D181-K184 PolarHBondContact OD1-N 3.05Å; D181-K184 VanDerWaalsContact OD2-CD 3.26Å; D181-K184 WeakPolarHBondContact OD2-CD 3.38Å; D181-K184 WeakPolarHBondContact OD2-CE 3.4Å; D181-K184 IonicContact OD2-NZ 2.78Å; D181-K184 PolarHBondContact OD2-NZ 3.2Å; K184-K188 WeakPolarHBondContact O-CB 3.43Å; K184-K188 PolarHBondContact O-N 3.4Å
185	R	91.2	Very high	94.2	Very high	97 Å²	97	86.7 Å²	86.7	37%	0.366	44%	0.439	S	S	.	.	H	α-helix	trans	-66.1	-44.1	175.6	-178.8	175.1	63.5	146.6	-0.6	111.2	D181 D182 S183 K188 R189	D181-R185 VanDerWaalsContact O-CB 3.3Å; D181-R185 WeakPolarHBondContact O-CB 3.3Å; D181-R185 PolarHBondContact O-N 2.84Å; D182-R185 PolarHBondContact O-N 2.88Å; D182-R185 IonicContact OD1-CZ 2.64Å; D182-R185 IonicContact OD1-NE 3.56Å; D182-R185 PolarHBondContact OD1-NE 3.5Å; D182-R185 IonicContact OD1-NH2 3.45Å; D182-R185 PolarHBondContact OD1-NH2 3.36Å; S183-R185 VanDerWaalsContact C-N 3.3Å; S183-R185 PolarHBondContact O-N 3.36Å; R185-K188 PolarHBondContact O-N 3.42Å; R185-R189 WeakPolarHBondContact O-CG 3.42Å; R185-R189 PolarHBondContact O-N 3.09Å
186	L	92.5	Very high	94.1	Very high	122 Å²	122	93.1 Å²	93.1	64%	0.639	46%	0.46	S	S	*	.	H	α-helix	trans	-65.1	-44.4	176.6	-170.6	62.2	0	0	0	110.7	D182 S183 K188 R189 K190	D182-L186 WeakPolarHBondContact O-CB 3.35Å; D182-L186 PolarHBondContact O-N 2.88Å; S183-L186 PolarHBondContact O-N 3.13Å; L186-K188 PolarHBondContact O-N 3.21Å; L186-R189 PolarHBondContact O-N 3.41Å; L186-K190 WeakPolarHBondContact O-CB 3.25Å; L186-K190 PolarHBondContact O-N 3.25Å
187	A	94.3	Very high	93.9	Very high	58 Å²	58	94.3 Å²	94.3	48%	0.479	46%	0.461	S	S	.	.	H	α-helix	trans	-58.9	-45.1	175.1	0	0	0	0	0	112.3	S183 R189 K190 L191	S183-A187 WeakPolarHBondContact O-CB 3.31Å; S183-A187 PolarHBondContact O-N 3.06Å; A187-R189 PolarHBondContact O-N 3.42Å; A187-K190 PolarHBondContact O-N 3.4Å; A187-L191 WeakPolarHBondContact O-CB 3.45Å; A187-L191 PolarHBondContact O-N 2.88Å
188	K	94	Very high	93.8	Very high	120 Å²	120	94.6 Å²	94.6	52%	0.522	46%	0.457	S	S	.	.	H	α-helix	trans	-62.4	-40.4	175.9	-176.6	173.4	-178.5	173.8	0	112.2	L180 K184 R185 L186 I192	L180-K188 HydrophobicContact CD1-CD 3.95Å; K184-K188 WeakPolarHBondContact O-CB 3.43Å; K184-K188 PolarHBondContact O-N 3.4Å; R185-K188 PolarHBondContact O-N 3.42Å; L186-K188 PolarHBondContact O-N 3.21Å; K188-I192 HydrophobicContact CG-CD1 4.09Å; K188-I192 WeakPolarHBondContact O-CD1 3.5Å; K188-I192 VanDerWaalsContact O-CG1 3.25Å; K188-I192 WeakPolarHBondContact O-CG1 3.39Å; K188-I192 PolarHBondContact O-N 3.31Å
189	R	94.5	Very high	93.6	Very high	159 Å²	159	98.3 Å²	98.3	60%	0.6	47%	0.466	S	S	*	.	H	α-helix	trans	-63.9	-44.9	175.8	-76.7	178.1	174.5	-160	-4	111.4	R185 L186 A187 I192 E193	R185-R189 WeakPolarHBondContact O-CG 3.42Å; R185-R189 PolarHBondContact O-N 3.09Å; L186-R189 PolarHBondContact O-N 3.41Å; A187-R189 PolarHBondContact O-N 3.42Å; R189-I192 PolarHBondContact O-N 3.44Å; R189-E193 PolarHBondContact O-N 2.91Å
190	K	96.1	Very high	93.2	Very high	137 Å²	137	104 Å²	104	60%	0.596	49%	0.486	S	S	*	.	H	α-helix	trans	-59.1	-48.1	176.2	-171.8	177.1	177.8	-176.1	0	111.4	L186 A187 I192 E193 E194	L186-K190 WeakPolarHBondContact O-CB 3.25Å; L186-K190 PolarHBondContact O-N 3.25Å; A187-K190 PolarHBondContact O-N 3.4Å; K190-I192 VanDerWaalsContact C-N 3.32Å; K190-I192 PolarHBondContact O-N 2.95Å; K190-E193 PolarHBondContact O-N 3.03Å; K190-E193 VanDerWaalsContact O-N 3.13Å; K190-E194 WeakPolarHBondContact CE-OE1 3.39Å; K190-E194 HydrophobicContact CG-CG 4.46Å; K190-E194 WeakPolarHBondContact O-CG 3.39Å; K190-E194 PolarHBondContact O-N 3.44Å
191	L	95.9	Very high	92.8	Very high	94 Å²	94	107.9 Å²	107.9	49%	0.492	50%	0.496	S	S	.	.	H	α-helix	trans	-60.5	-37.8	176.8	-177.2	67.4	0	0	0	113	A187 N195	A187-L191 WeakPolarHBondContact O-CB 3.45Å; A187-L191 PolarHBondContact O-N 2.88Å; L191-N195 WeakPolarHBondContact O-CB 3.05Å; L191-N195 VanDerWaalsContact O-CG 3.3Å; L191-N195 PolarHBondContact O-N 3.28Å; L191-N195 PolarHBondContact O-ND2 2.98Å
192	I	94.8	Very high	92.5	Very high	76 Å²	76	108.6 Å²	108.6	39%	0.39	50%	0.498	S	S	.	.	H	α-helix	trans	-65.8	-42.4	176	-71	165.2	0	0	0	110.5	K188 R189 K190 N195 R196	K188-I192 HydrophobicContact CG-CD1 4.09Å; K188-I192 WeakPolarHBondContact O-CD1 3.5Å; K188-I192 VanDerWaalsContact O-CG1 3.25Å; K188-I192 WeakPolarHBondContact O-CG1 3.39Å; K188-I192 PolarHBondContact O-N 3.31Å; R189-I192 PolarHBondContact O-N 3.44Å; K190-I192 VanDerWaalsContact C-N 3.32Å; K190-I192 PolarHBondContact O-N 2.95Å; I192-N195 PolarHBondContact O-N 3.27Å; I192-R196 VanDerWaalsContact O-CG 3.31Å; I192-R196 WeakPolarHBondContact O-CG 3.5Å; I192-R196 PolarHBondContact O-N 2.88Å
193	E	95.1	Very high	92	Very high	85 Å²	85	109.5 Å²	109.5	40%	0.397	50%	0.499	S	S	.	.	H	α-helix	trans	-68.5	-44.2	179	-167.7	53.4	-136.1	0	0	111.8	R189 K190 N195 R196 E197 R200	R189-E193 PolarHBondContact O-N 2.91Å; K190-E193 PolarHBondContact O-N 3.03Å; K190-E193 VanDerWaalsContact O-N 3.13Å; E193-N195 VanDerWaalsContact C-N 3.31Å; E193-N195 PolarHBondContact O-N 3.03Å; E193-R196 WeakPolarHBondContact O-CB 3.33Å; E193-R196 PolarHBondContact O-N 2.84Å; E193-R196 VanDerWaalsContact O-N 3.09Å; E193-E197 PolarHBondContact O-N 3.36Å; E193-R200 IonicContact OE1-CZ 2.76Å; E193-R200 IonicContact OE1-NH1 2.82Å; E193-R200 IonicContact OE1-NH2 3.03Å; E193-R200 PolarHBondContact OE1-NH2 2.98Å
194	E	95.8	Very high	91.1	Very high	90 Å²	90	110.4 Å²	110.4	42%	0.421	50%	0.496	S	S	.	.	H	α-helix	trans	-57.8	-42.7	174.3	-73.1	171.2	174.9	0	0	111.9	K190 R196 E197 K198	K190-E194 WeakPolarHBondContact CE-OE1 3.39Å; K190-E194 HydrophobicContact CG-CG 4.46Å; K190-E194 WeakPolarHBondContact O-CG 3.39Å; K190-E194 PolarHBondContact O-N 3.44Å; E194-R196 PolarHBondContact O-N 3.38Å; E194-E197 PolarHBondContact O-N 2.95Å; E194-K198 WeakPolarHBondContact O-CB 3.37Å; E194-K198 PolarHBondContact O-N 2.77Å
195	N	96.1	Very high	90	Very high	82 Å²	82	112 Å²	112	44%	0.439	51%	0.505	S	S	.	.	H	α-helix	trans	-67.6	-33.7	176.4	-78.9	-44.1	0	0	0	113	L191 I192 E193 R199	L191-N195 WeakPolarHBondContact O-CB 3.05Å; L191-N195 VanDerWaalsContact O-CG 3.3Å; L191-N195 PolarHBondContact O-N 3.28Å; L191-N195 PolarHBondContact O-ND2 2.98Å; I192-N195 PolarHBondContact O-N 3.27Å; E193-N195 VanDerWaalsContact C-N 3.31Å; E193-N195 PolarHBondContact O-N 3.03Å; N195-R199 WeakPolarHBondContact O-CB 3.4Å; N195-R199 PolarHBondContact O-N 2.88Å
196	R	95.1	Very high	89	Confident	148 Å²	148	115.6 Å²	115.6	56%	0.558	52%	0.523	S	S	*	.	H	α-helix	trans	-67.2	-44.2	173.5	-75.6	171.3	173.5	-168.7	-5.8	110.7	I192 E193 E194 R199 R200	I192-R196 VanDerWaalsContact O-CG 3.31Å; I192-R196 WeakPolarHBondContact O-CG 3.5Å; I192-R196 PolarHBondContact O-N 2.88Å; E193-R196 WeakPolarHBondContact O-CB 3.33Å; E193-R196 PolarHBondContact O-N 2.84Å; E193-R196 VanDerWaalsContact O-N 3.09Å; E194-R196 PolarHBondContact O-N 3.38Å; R196-R199 PolarHBondContact O-N 3.11Å; R196-R200 WeakPolarHBondContact O-CG 3.31Å; R196-R200 PolarHBondContact O-N 2.86Å
197	E	93.2	Very high	87.7	Confident	88 Å²	88	114.2 Å²	114.2	41%	0.411	52%	0.523	S	S	.	.	H	α-helix	trans	-64.3	-44	177	-163.3	-166.5	138.5	0	0	112	E193 E194 R199 R200 R201	E193-E197 PolarHBondContact O-N 3.36Å; E194-E197 PolarHBondContact O-N 2.95Å; E197-R199 VanDerWaalsContact C-N 3.31Å; E197-R199 PolarHBondContact O-N 2.9Å; E197-R200 PolarHBondContact O-N 2.96Å; E197-R201 PolarHBondContact O-N 2.82Å; E197-R201 IonicContact OE1-CZ 3.38Å; E197-R201 IonicContact OE1-NH2 2.67Å; E197-R201 PolarHBondContact OE1-NH2 3.12Å
198	K	91.9	Very high	86.1	Confident	113 Å²	113	116 Å²	116	49%	0.491	52%	0.524	S	S	.	.	H	α-helix	trans	-57.4	-45.3	174.4	-171.6	-175.6	-174	-152.8	0	111.3	E194 R201 E202	E194-K198 WeakPolarHBondContact O-CB 3.37Å; E194-K198 PolarHBondContact O-N 2.77Å; K198-R201 WeakPolarHBondContact O-CB 3.44Å; K198-R201 PolarHBondContact O-N 3.02Å; K198-E202 WeakPolarHBondContact CE-OE1 3.43Å; K198-E202 HydrophobicContact CG-CG 4.48Å; K198-E202 IonicContact NZ-OE1 3.63Å; K198-E202 PolarHBondContact NZ-OE1 2.84Å; K198-E202 WeakPolarHBondContact O-CG 3.47Å; K198-E202 PolarHBondContact O-N 3.25Å
199	R	90.3	Very high	84.6	Confident	157 Å²	157	112.4 Å²	112.4	59%	0.592	52%	0.521	S	S	*	.	H	α-helix	trans	-63.2	-43	178.1	-163.5	-176.4	-57.7	-155.4	-1.6	112.1	N195 R196 E197 R201 E202 E203	N195-R199 WeakPolarHBondContact O-CB 3.4Å; N195-R199 PolarHBondContact O-N 2.88Å; R196-R199 PolarHBondContact O-N 3.11Å; E197-R199 VanDerWaalsContact C-N 3.31Å; E197-R199 PolarHBondContact O-N 2.9Å; R199-R201 VanDerWaalsContact C-N 3.29Å; R199-R201 PolarHBondContact O-N 3.28Å; R199-E202 PolarHBondContact O-N 2.88Å; R199-E203 HydrophobicContact CG-CG 4.41Å; R199-E203 WeakPolarHBondContact CG-OE1 3.43Å; R199-E203 WeakPolarHBondContact O-CB 3.38Å; R199-E203 VanDerWaalsContact O-CG 3.31Å; R199-E203 WeakPolarHBondContact O-CG 3.1Å; R199-E203 PolarHBondContact O-N 3.37Å
200	R	88.5	Confident	83.5	Confident	128 Å²	128	113.4 Å²	113.4	48%	0.483	53%	0.532	S	S	.	.	H	α-helix	trans	-57.8	-41.6	173.6	-72.1	-173.6	-67.5	-103	3.1	111.8	E193 R196 E197 L204	E193-R200 IonicContact OE1-CZ 2.76Å; E193-R200 IonicContact OE1-NH1 2.82Å; E193-R200 IonicContact OE1-NH2 3.03Å; E193-R200 PolarHBondContact OE1-NH2 2.98Å; R196-R200 WeakPolarHBondContact O-CG 3.31Å; R196-R200 PolarHBondContact O-N 2.86Å; E197-R200 PolarHBondContact O-N 2.96Å; R200-L204 WeakPolarHBondContact O-CB 3.49Å; R200-L204 PolarHBondContact O-N 2.93Å
201	R	82.7	Confident	82.9	Confident	149 Å²	149	111.9 Å²	111.9	56%	0.562	53%	0.526	S	S	*	.	H	α-helix	trans	-66.5	-44.8	176.9	-171.6	179.9	-65.9	129.7	8.2	112.2	E197 K198 R199 L204 Q205	E197-R201 PolarHBondContact O-N 2.82Å; E197-R201 IonicContact OE1-CZ 3.38Å; E197-R201 IonicContact OE1-NH2 2.67Å; E197-R201 PolarHBondContact OE1-NH2 3.12Å; K198-R201 WeakPolarHBondContact O-CB 3.44Å; K198-R201 PolarHBondContact O-N 3.02Å; R199-R201 VanDerWaalsContact C-N 3.29Å; R199-R201 PolarHBondContact O-N 3.28Å; R201-L204 PolarHBondContact O-N 3.29Å; R201-Q205 WeakPolarHBondContact O-CB 3.21Å; R201-Q205 PolarHBondContact O-N 3.12Å
202	E	84.5	Confident	82.6	Confident	82 Å²	82	110.4 Å²	110.4	38%	0.383	52%	0.521	S	S	.	.	H	α-helix	trans	-65.9	-38.8	177.6	-72.8	174.1	179.4	0	0	112.2	K198 R199 Q205 K206	K198-E202 WeakPolarHBondContact CE-OE1 3.43Å; K198-E202 HydrophobicContact CG-CG 4.48Å; K198-E202 IonicContact NZ-OE1 3.63Å; K198-E202 PolarHBondContact NZ-OE1 2.84Å; K198-E202 WeakPolarHBondContact O-CG 3.47Å; K198-E202 PolarHBondContact O-N 3.25Å; R199-E202 PolarHBondContact O-N 2.88Å; E202-Q205 PolarHBondContact O-N 3.3Å; E202-K206 WeakPolarHBondContact O-CB 3.39Å; E202-K206 WeakPolarHBondContact O-CG 3.33Å; E202-K206 PolarHBondContact O-N 2.92Å
203	E	80	Confident	82.6	Confident	115 Å²	115	110.7 Å²	110.7	54%	0.537	52%	0.521	S	S	.	.	H	α-helix	trans	-66	-42.6	175.3	-75.4	169.2	-178.6	0	0	111.6	R199 Q205 K206 S207	R199-E203 HydrophobicContact CG-CG 4.41Å; R199-E203 WeakPolarHBondContact CG-OE1 3.43Å; R199-E203 WeakPolarHBondContact O-CB 3.38Å; R199-E203 VanDerWaalsContact O-CG 3.31Å; R199-E203 WeakPolarHBondContact O-CG 3.1Å; R199-E203 PolarHBondContact O-N 3.37Å; E203-Q205 VanDerWaalsContact C-N 3.29Å; E203-Q205 PolarHBondContact O-N 3.2Å; E203-K206 PolarHBondContact O-N 3.08Å; E203-S207 PolarHBondContact O-N 3.48Å
204	L	74.3	Confident	82.7	Confident	112 Å²	112	107.3 Å²	107.3	59%	0.586	51%	0.507	S	S	*	.	H	α-helix	trans	-62.1	-37.5	172.4	-174.9	64.4	0	0	0	111.6	R200 R201 S207 I208	R200-L204 WeakPolarHBondContact O-CB 3.49Å; R200-L204 PolarHBondContact O-N 2.93Å; R201-L204 PolarHBondContact O-N 3.29Å; L204-S207 PolarHBondContact O-OG 3.36Å; L204-I208 HydrophobicContact CG-CD1 4.32Å; L204-I208 WeakPolarHBondContact O-CD1 3.22Å; L204-I208 WeakPolarHBondContact O-CG1 3.45Å; L204-I208 PolarHBondContact O-N 3.31Å
205	Q	69.7	Low	82.8	Confident	140 Å²	140	106.5 Å²	106.5	65%	0.654	51%	0.508	S	S	*	.	H	α-helix	trans	-71.4	-35.8	176.9	-168.4	172.6	4.5	0	0	112.3	R201 E202 E203 I208	R201-Q205 WeakPolarHBondContact O-CB 3.21Å; R201-Q205 PolarHBondContact O-N 3.12Å; E202-Q205 PolarHBondContact O-N 3.3Å; E203-Q205 VanDerWaalsContact C-N 3.29Å; E203-Q205 PolarHBondContact O-N 3.2Å; Q205-I208 CarbonylContact O-C 3.17Å; Q205-I208 PolarHBondContact O-N 2.83Å
206	K	69.9	Low	82.9	Confident	173 Å²	173	109.2 Å²	109.2	75%	0.752	52%	0.523	S	S	*	.	H	α-helix	trans	-68.2	-34.9	176	-79.9	-179.3	179.7	-178.9	0	113.1	E202 E203 I208 G209	E202-K206 WeakPolarHBondContact O-CB 3.39Å; E202-K206 WeakPolarHBondContact O-CG 3.33Å; E202-K206 PolarHBondContact O-N 2.92Å; E203-K206 PolarHBondContact O-N 3.08Å; K206-I208 PolarHBondContact O-N 3.09Å; K206-G209 PolarHBondContact O-N 3.06Å
207	S	65.1	Low	83.1	Confident	92 Å²	92	110.2 Å²	110.2	64%	0.643	53%	0.533	S	S	*	.	H	α-helix	trans	-69.4	-20.1	173.5	65.4	0	0	0	0	112.4	E203 L204 G209	E203-S207 PolarHBondContact O-N 3.48Å; L204-S207 PolarHBondContact O-OG 3.36Å; S207-G209 VanDerWaalsContact C-N 3.26Å; S207-G209 PolarHBondContact O-N 3.4Å
208	I	60.2	Low	83.3	Confident	95 Å²	95	106.9 Å²	106.9	49%	0.487	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	36.6	171.4	-52	159.1	0	0	0	110.3	L204 Q205 K206	L204-I208 HydrophobicContact CG-CD1 4.32Å; L204-I208 WeakPolarHBondContact O-CD1 3.22Å; L204-I208 WeakPolarHBondContact O-CG1 3.45Å; L204-I208 PolarHBondContact O-N 3.31Å; Q205-I208 CarbonylContact O-C 3.17Å; Q205-I208 PolarHBondContact O-N 2.83Å; K206-I208 PolarHBondContact O-N 3.09Å
209	G	63.4	Low	83.6	Confident	45 Å²	45	105.6 Å²	105.6	46%	0.464	51%	0.51	S	S	.	.			trans	-43.1	146.1	175	0	0	0	0	0	111.8	K206 S207 K211	K206-G209 PolarHBondContact O-N 3.06Å; S207-G209 VanDerWaalsContact C-N 3.26Å; S207-G209 PolarHBondContact O-N 3.4Å; G209-K211 WeakPolarHBondContact O-CG 3.43Å; G209-K211 PolarHBondContact O-N 3.3Å
210	H	72	Confident	84	Confident	180 Å²	180	103.6 Å²	103.6	83%	0.833	51%	0.507	S	S	*	.			trans	-41.3	99.6	-169.7	-175.6	-76.4	0	0	0	111.3
211	K	81.9	Confident	84.5	Confident	106 Å²	106	99.3 Å²	99.3	46%	0.461	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-75.4	124.4	-175.1	-63.7	-160.5	-177.1	-175.9	0	107.9	G209 E213 N408	G209-K211 WeakPolarHBondContact O-CG 3.43Å; G209-K211 PolarHBondContact O-N 3.3Å; K211-E213 PolarHBondContact O-N 3.29Å; K211-N408 HydrophobicContact CB-CB 3.88Å; K211-N408 WeakPolarHBondContact CD-OD1 3.47Å
212	P	91	Very high	85.3	Confident	62 Å²	62	92.4 Å²	92.4	40%	0.403	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-59.2	132.3	179.4	22.6	-31.5	0	0	0	110.3	H405 N408	P212-H405 WeakPolarHBondContact CG-NE2 3.39Å; P212-H405 WeakPolarHBondContact O-CA 3.35Å; P212-N408 VanDerWaalsContact O-CB 3.3Å; P212-N408 WeakPolarHBondContact O-CB 3.34Å; P212-N408 PolarHBondContact O-ND2 2.87Å
213	E	94	Very high	85.9	Confident	83 Å²	83	93.4 Å²	93.4	39%	0.388	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-91.8	165.8	167.3	-64.9	-173.8	174.7	0	0	108.5	K211 T215 K411	K211-E213 PolarHBondContact O-N 3.29Å; E213-T215 PolarHBondContact O-N 3.34Å; E213-K411 VanDerWaalsContact OE1-CE 3.31Å; E213-K411 WeakPolarHBondContact OE1-CE 3.48Å; E213-K411 IonicContact OE1-NZ 3.33Å; E213-K411 PolarHBondContact OE1-NZ 3.47Å
214	P	97.9	Very high	86.8	Confident	14 Å²	14	90.2 Å²	90.2	9%	0.091	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-64.6	137.7	-171.3	-19	30.6	0	0	0	112.4	E218 W219 I222 H405	P214-E218 WeakPolarHBondContact CA-OE2 3.3Å; P214-E218 HydrophobicContact CB-CB 3.99Å; P214-W219 HydrophobicContact CB-CD2 4.09Å; P214-W219 HydrophobicContact CB-CG 4.2Å; P214-W219 HydrophobicContact CB-CZ2 4.23Å; P214-W219 HydrophobicContact CG-CD2 4.47Å; P214-W219 HydrophobicContact CG-CH2 4.35Å; P214-W219 HydrophobicContact CG-CZ2 3.84Å; P214-W219 PolarHBondContact O-NE1 2.97Å; P214-W219 VanDerWaalsContact O-NE1 3.17Å; P214-I222 HydrophobicContact CB-CD1 3.84Å; P214-I222 HydrophobicContact CG-CD1 3.86Å; P214-H405 HydrophobicContact CB-CB 4.23Å; P214-H405 WeakPolarHBondContact CD-O 3.25Å; P214-H405 HydrophobicContact CG-CB 3.91Å
215	T	97.7	Very high	88	Confident	73 Å²	73	84.9 Å²	84.9	45%	0.448	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-71.3	167	168.9	61.4	0	0	0	0	111.2	E213 E217 E218 W219	E213-T215 PolarHBondContact O-N 3.34Å; T215-E217 VanDerWaalsContact C-N 3.28Å; T215-E217 PolarHBondContact O-N 3.14Å; T215-E218 PolarHBondContact N-OE2 3.23Å; T215-E218 PolarHBondContact O-N 3.49Å; T215-E218 VanDerWaalsContact O-N 3.16Å; T215-E218 VanDerWaalsContact OG1-CD 3.25Å; T215-E218 VanDerWaalsContact OG1-CG 3.24Å; T215-E218 WeakPolarHBondContact OG1-CG 3.47Å; T215-E218 PolarHBondContact OG1-N 3.45Å; T215-E218 PolarHBondContact OG1-OE2 2.88Å; T215-W219 VanDerWaalsContact O-CD1 3.24Å; T215-W219 PolarHBondContact O-N 3.24Å
216	D	98.1	Very high	89.4	Confident	139 Å²	139	79.3 Å²	79.3	74%	0.743	41%	0.407	S	S	*	.	H	α-helix	trans	-58.9	-39.1	178.4	-64.6	-27.6	0	0	0	112.3	W219 E220	D216-W219 PolarHBondContact O-N 3.34Å; D216-E220 PolarHBondContact O-N 3.39Å; D216-E220 VanDerWaalsContact O-N 3.16Å
217	E	97.8	Very high	90.7	Very high	168 Å²	168	76.6 Å²	76.6	79%	0.785	40%	0.397	S	S	*	.	H	α-helix	trans	-66	-41.3	176.3	-65.4	-179.9	-179.1	0	0	111.7	T215 W219 E220 L221	T215-E217 VanDerWaalsContact C-N 3.28Å; T215-E217 PolarHBondContact O-N 3.14Å; E217-W219 VanDerWaalsContact C-N 3.35Å; E217-E220 PolarHBondContact O-N 2.99Å; E217-L221 PolarHBondContact O-N 3.28Å; E217-L221 VanDerWaalsContact O-N 3.11Å
218	E	98.4	Very high	92.3	Very high	18 Å²	18	72.3 Å²	72.3	8%	0.084	37%	0.367	C	S	.	.	H	α-helix	trans	-67.6	-35.7	175.5	-70.2	165.7	150.4	0	0	111.6	P214 T215 E220 L221 I222 L401 A402 H405	P214-E218 WeakPolarHBondContact CA-OE2 3.3Å; P214-E218 HydrophobicContact CB-CB 3.99Å; T215-E218 PolarHBondContact N-OE2 3.23Å; T215-E218 PolarHBondContact O-N 3.49Å; T215-E218 VanDerWaalsContact O-N 3.16Å; T215-E218 VanDerWaalsContact OG1-CD 3.25Å; T215-E218 VanDerWaalsContact OG1-CG 3.24Å; T215-E218 WeakPolarHBondContact OG1-CG 3.47Å; T215-E218 PolarHBondContact OG1-N 3.45Å; T215-E218 PolarHBondContact OG1-OE2 2.88Å; E218-E220 PolarHBondContact O-N 2.68Å; E218-L221 WeakPolarHBondContact O-CB 3.43Å; E218-L221 PolarHBondContact O-N 3.27Å; E218-I222 VanDerWaalsContact O-CB 3.31Å; E218-I222 WeakPolarHBondContact O-CB 3.38Å; E218-I222 WeakPolarHBondContact O-CD1 3.41Å; E218-I222 WeakPolarHBondContact O-CG1 3.48Å; E218-I222 PolarHBondContact O-N 3.31Å; E218-L401 WeakPolarHBondContact OE1-CD2 3.46Å; E218-L401 WeakPolarHBondContact OE1-CG 3.23Å; E218-A402 HydrophobicContact CB-CB 4.05Å; E218-A402 HydrophobicContact CG-CB 4.05Å; E218-H405 IonicContact OE1-CE1 3.5Å; E218-H405 PolarHBondContact OE1-CE1 3.14Å; E218-H405 VanDerWaalsContact OE1-CE1 3.25Å; E218-H405 IonicContact OE1-CG 3.79Å; E218-H405 IonicContact OE1-ND1 3.93Å; E218-H405 PolarHBondContact OE1-ND1 3.07Å; E218-H405 IonicContact OE2-CE1 3.43Å; E218-H405 IonicContact OE2-CG 3.94Å; E218-H405 IonicContact OE2-ND1 3.06Å; E218-H405 PolarHBondContact OE2-ND1 2.85Å
219	W	98.6	Very high	94.2	Very high	87 Å²	87	67.8 Å²	67.8	33%	0.33	34%	0.344	S	S	.	.	H	α-helix	trans	-62.5	-40.6	174.8	-85.1	119.3	0	0	0	112.7	P214 T215 D216 E217 I222 K223 Y406 Y409	P214-W219 HydrophobicContact CB-CD2 4.09Å; P214-W219 HydrophobicContact CB-CG 4.2Å; P214-W219 HydrophobicContact CB-CZ2 4.23Å; P214-W219 HydrophobicContact CG-CD2 4.47Å; P214-W219 HydrophobicContact CG-CH2 4.35Å; P214-W219 HydrophobicContact CG-CZ2 3.84Å; P214-W219 PolarHBondContact O-NE1 2.97Å; P214-W219 VanDerWaalsContact O-NE1 3.17Å; T215-W219 VanDerWaalsContact O-CD1 3.24Å; T215-W219 PolarHBondContact O-N 3.24Å; D216-W219 PolarHBondContact O-N 3.34Å; E217-W219 VanDerWaalsContact C-N 3.35Å; W219-I222 HydrophobicContact CE3-CB 4.42Å; W219-I222 HydrophobicContact CE3-CD1 4.2Å; W219-I222 HydrophobicContact CE3-CG2 4.21Å; W219-I222 HydrophobicContact CZ3-CD1 4.46Å; W219-I222 HydrophobicContact CZ3-CG2 4.21Å; W219-I222 PolarHBondContact O-N 3.37Å; W219-K223 VanDerWaalsContact O-CB 3.26Å; W219-K223 WeakPolarHBondContact O-CB 3.5Å; W219-K223 PolarHBondContact O-N 3.18Å; W219-Y406 AromaticContact CH2-CD2 3.72Å; W219-Y406 HydrophobicContact CH2-CD2 3.72Å; W219-Y406 AromaticContact CH2-CE2 3.67Å; W219-Y406 HydrophobicContact CH2-CE2 3.67Å; W219-Y406 AromaticContact CZ3-CD2 3.8Å; W219-Y406 HydrophobicContact CZ3-CD2 3.8Å; W219-Y406 AromaticContact CZ3-CE2 3.68Å; W219-Y406 HydrophobicContact CZ3-CE2 3.68Å; W219-Y409 AromaticContact CH2-CD1 3.79Å; W219-Y409 HydrophobicContact CH2-CD1 3.79Å; W219-Y409 AromaticContact CH2-CE1 3.79Å; W219-Y409 HydrophobicContact CH2-CE1 3.79Å; W219-Y409 HydrophobicContact CH2-CG 4.23Å; W219-Y409 HydrophobicContact CZ2-CD1 4.15Å; W219-Y409 HydrophobicContact CZ2-CD2 4.24Å; W219-Y409 HydrophobicContact CZ2-CE1 4.28Å; W219-Y409 HydrophobicContact CZ2-CE2 4.38Å; W219-Y409 HydrophobicContact CZ2-CG 4.12Å
220	E	98.5	Very high	95.8	Very high	115 Å²	115	69.5 Å²	69.5	54%	0.537	35%	0.346	S	S	.	.	H	α-helix	trans	-66.9	-37.9	174.7	-70	-57.9	142.3	0	0	112	D216 E217 E218 T224	D216-E220 PolarHBondContact O-N 3.39Å; D216-E220 VanDerWaalsContact O-N 3.16Å; E217-E220 PolarHBondContact O-N 2.99Å; E218-E220 PolarHBondContact O-N 2.68Å; E220-T224 WeakPolarHBondContact O-CB 3.39Å; E220-T224 PolarHBondContact O-N 3.28Å; E220-T224 PolarHBondContact O-OG1 3.17Å
221	L	98.6	Very high	97	Very high	37 Å²	37	64.2 Å²	64.2	19%	0.194	33%	0.333	C	S	.	.	H	α-helix	trans	-63.4	-49.4	173.1	-175.6	62.7	0	0	0	111.5	E217 E218 K223 T224 V225 F399 A402	E217-L221 PolarHBondContact O-N 3.28Å; E217-L221 VanDerWaalsContact O-N 3.11Å; E218-L221 WeakPolarHBondContact O-CB 3.43Å; E218-L221 PolarHBondContact O-N 3.27Å; L221-K223 VanDerWaalsContact C-N 3.33Å; L221-K223 PolarHBondContact O-N 2.97Å; L221-T224 WeakPolarHBondContact O-CB 3.39Å; L221-T224 PolarHBondContact O-N 3.18Å; L221-V225 WeakPolarHBondContact O-CG2 3.05Å; L221-V225 PolarHBondContact O-N 3.14Å; L221-F399 HydrophobicContact CD1-CD1 4.23Å; L221-F399 HydrophobicContact CD1-CE1 3.53Å; L221-F399 HydrophobicContact CD1-CZ 4.22Å; L221-F399 HydrophobicContact CD2-CD1 3.94Å; L221-F399 HydrophobicContact CD2-CE1 4.09Å; L221-F399 HydrophobicContact CG-CD1 4.11Å; L221-F399 HydrophobicContact CG-CE1 3.89Å; L221-A402 HydrophobicContact CD2-CB 4.24Å
222	I	98.8	Very high	97.8	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-55.5	-49.9	177.3	-74.3	163.6	0	0	0	109.8	P214 E218 W219 T224 V225 T226 T368 L372 A402 Y406	P214-I222 HydrophobicContact CB-CD1 3.84Å; P214-I222 HydrophobicContact CG-CD1 3.86Å; E218-I222 VanDerWaalsContact O-CB 3.31Å; E218-I222 WeakPolarHBondContact O-CB 3.38Å; E218-I222 WeakPolarHBondContact O-CD1 3.41Å; E218-I222 WeakPolarHBondContact O-CG1 3.48Å; E218-I222 PolarHBondContact O-N 3.31Å; W219-I222 HydrophobicContact CE3-CB 4.42Å; W219-I222 HydrophobicContact CE3-CD1 4.2Å; W219-I222 HydrophobicContact CE3-CG2 4.21Å; W219-I222 HydrophobicContact CZ3-CD1 4.46Å; W219-I222 HydrophobicContact CZ3-CG2 4.21Å; W219-I222 PolarHBondContact O-N 3.37Å; I222-T224 PolarHBondContact O-N 2.87Å; I222-V225 PolarHBondContact O-N 3.27Å; I222-T226 WeakPolarHBondContact O-CB 3.37Å; I222-T226 PolarHBondContact O-N 3.47Å; I222-T226 PolarHBondContact O-OG1 3.48Å; I222-T368 HydrophobicContact CG2-CG2 3.47Å; I222-T368 VanDerWaalsContact CG2-CG2 3.47Å; I222-L372 HydrophobicContact CG1-CD1 4.22Å; I222-L372 HydrophobicContact CG1-CD2 4.3Å; I222-A402 HydrophobicContact CD1-CB 4.33Å; I222-A402 HydrophobicContact CG1-CB 4.11Å; I222-Y406 HydrophobicContact CD1-CD2 4.09Å; I222-Y406 HydrophobicContact CD1-CG 4.4Å; I222-Y406 HydrophobicContact CG2-CD2 4.34Å
223	K	98.7	Very high	97.9	Very high	103 Å²	103	57.5 Å²	57.5	45%	0.448	30%	0.299	S	S	.	.	H	α-helix	trans	-57.6	-47.4	178.2	179.8	-177.3	170.5	-164.7	0	111.8	W219 L221 V225 T226 E227	W219-K223 VanDerWaalsContact O-CB 3.26Å; W219-K223 WeakPolarHBondContact O-CB 3.5Å; W219-K223 PolarHBondContact O-N 3.18Å; L221-K223 VanDerWaalsContact C-N 3.33Å; L221-K223 PolarHBondContact O-N 2.97Å; K223-V225 VanDerWaalsContact C-N 3.33Å; K223-V225 PolarHBondContact O-N 2.96Å; K223-T226 PolarHBondContact O-N 3.46Å; K223-E227 WeakPolarHBondContact CE-OE1 3.49Å; K223-E227 HydrophobicContact CG-CG 4.4Å; K223-E227 WeakPolarHBondContact CG-OE1 3.43Å; K223-E227 WeakPolarHBondContact O-CB 3.4Å; K223-E227 WeakPolarHBondContact O-CG 3.23Å; K223-E227 PolarHBondContact O-N 3.09Å
224	T	98.7	Very high	97.7	Very high	48 Å²	48	54 Å²	54	29%	0.294	28%	0.284	S	S	.	.	H	α-helix	trans	-57.1	-46.4	178.5	-60.4	0	0	0	0	111.6	E220 L221 I222 A228	E220-T224 WeakPolarHBondContact O-CB 3.39Å; E220-T224 PolarHBondContact O-N 3.28Å; E220-T224 PolarHBondContact O-OG1 3.17Å; L221-T224 WeakPolarHBondContact O-CB 3.39Å; L221-T224 PolarHBondContact O-N 3.18Å; I222-T224 PolarHBondContact O-N 2.87Å; T224-A228 WeakPolarHBondContact O-CB 3.47Å; T224-A228 PolarHBondContact O-N 3.2Å
225	V	98.8	Very high	97.3	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-69.9	-41.9	-178.8	178.6	0	0	0	0	111.4	L221 I222 K223 A228 H229 F286 L290 A371 L372 A375 F399	L221-V225 WeakPolarHBondContact O-CG2 3.05Å; L221-V225 PolarHBondContact O-N 3.14Å; I222-V225 PolarHBondContact O-N 3.27Å; K223-V225 VanDerWaalsContact C-N 3.33Å; K223-V225 PolarHBondContact O-N 2.96Å; V225-A228 WeakPolarHBondContact O-CB 3.35Å; V225-A228 PolarHBondContact O-N 3.39Å; V225-H229 PolarHBondContact O-N 2.89Å; V225-F286 HydrophobicContact CG1-CE2 4.42Å; V225-F286 HydrophobicContact CG1-CZ 4.23Å; V225-L290 HydrophobicContact CB-CD2 4.33Å; V225-L290 HydrophobicContact CG2-CD2 3.86Å; V225-A371 VanDerWaalsContact CG1-C 3.45Å; V225-A371 HydrophobicContact CG1-CB 3.75Å; V225-A371 VanDerWaalsContact CG1-O 3.29Å; V225-A371 WeakPolarHBondContact CG1-O 3.45Å; V225-L372 HydrophobicContact CG1-CD2 4.4Å; V225-A375 HydrophobicContact CG1-CB 3.92Å; V225-A375 HydrophobicContact CG2-CB 4.42Å; V225-F399 HydrophobicContact CG2-CD1 3.92Å; V225-F399 HydrophobicContact CG2-CE1 3.32Å; V225-F399 HydrophobicContact CG2-CZ 4.22Å
226	T	98.6	Very high	96.9	Very high	23 Å²	23	54.5 Å²	54.5	14%	0.141	29%	0.287	C	S	.	.	H	α-helix	trans	-63.7	-44.6	176.9	-60.9	0	0	0	0	111.5	I222 K223 A228 H229 V230 T368	I222-T226 WeakPolarHBondContact O-CB 3.37Å; I222-T226 PolarHBondContact O-N 3.47Å; I222-T226 PolarHBondContact O-OG1 3.48Å; K223-T226 PolarHBondContact O-N 3.46Å; T226-A228 VanDerWaalsContact C-N 3.34Å; T226-A228 PolarHBondContact O-N 3.16Å; T226-H229 WeakPolarHBondContact O-CB 3.24Å; T226-H229 PolarHBondContact O-N 3.19Å; T226-V230 HydrophobicContact CG2-CG2 4.3Å; T226-V230 WeakPolarHBondContact O-CG2 3.17Å; T226-V230 PolarHBondContact O-N 3.1Å; T226-T368 WeakPolarHBondContact CG2-OG1 3.26Å; T226-T368 WeakPolarHBondContact OG1-CA 3.17Å; T226-T368 WeakPolarHBondContact OG1-CB 3.36Å; T226-T368 WeakPolarHBondContact OG1-CG2 3.38Å; T226-T368 PolarHBondContact OG1-OG1 3.3Å
227	E	98.5	Very high	96.4	Very high	115 Å²	115	52.1 Å²	52.1	54%	0.537	28%	0.281	S	S	.	.	H	α-helix	trans	-62.6	-40.7	176.2	-73.8	177.6	-178.3	0	0	111.6	K223 H229 V230 A231	K223-E227 WeakPolarHBondContact CE-OE1 3.49Å; K223-E227 HydrophobicContact CG-CG 4.4Å; K223-E227 WeakPolarHBondContact CG-OE1 3.43Å; K223-E227 WeakPolarHBondContact O-CB 3.4Å; K223-E227 WeakPolarHBondContact O-CG 3.23Å; K223-E227 PolarHBondContact O-N 3.09Å; E227-H229 VanDerWaalsContact C-N 3.33Å; E227-H229 PolarHBondContact O-N 3.23Å; E227-V230 PolarHBondContact O-N 3.35Å; E227-A231 VanDerWaalsContact O-CB 3.22Å; E227-A231 WeakPolarHBondContact O-CB 3.45Å; E227-A231 PolarHBondContact O-N 2.92Å
228	A	98.7	Very high	96.1	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-60	-43.7	173.5	0	0	0	0	0	112.1	T224 V225 T226 T232 F286 K289 L290	T224-A228 WeakPolarHBondContact O-CB 3.47Å; T224-A228 PolarHBondContact O-N 3.2Å; V225-A228 WeakPolarHBondContact O-CB 3.35Å; V225-A228 PolarHBondContact O-N 3.39Å; T226-A228 VanDerWaalsContact C-N 3.34Å; T226-A228 PolarHBondContact O-N 3.16Å; A228-T232 WeakPolarHBondContact O-CG2 3.35Å; A228-T232 PolarHBondContact O-N 2.76Å; A228-T232 PolarHBondContact O-OG1 2.86Å; A228-F286 HydrophobicContact CB-CD2 3.83Å; A228-F286 HydrophobicContact CB-CE2 3.94Å; A228-K289 HydrophobicContact CB-CB 3.52Å; A228-K289 HydrophobicContact CB-CD 4.14Å; A228-K289 HydrophobicContact CB-CG 4.48Å; A228-L290 HydrophobicContact CB-CD2 3.87Å
229	H	98.5	Very high	95.9	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-55.4	175.8	173.4	56.6	0	0	0	111.2	V225 T226 E227 A231 T232 N233 F286 D367 A371 Q374	V225-H229 PolarHBondContact O-N 2.89Å; T226-H229 WeakPolarHBondContact O-CB 3.24Å; T226-H229 PolarHBondContact O-N 3.19Å; E227-H229 VanDerWaalsContact C-N 3.33Å; E227-H229 PolarHBondContact O-N 3.23Å; H229-A231 VanDerWaalsContact C-N 3.27Å; H229-A231 PolarHBondContact O-N 2.85Å; H229-T232 CarbonylContact O-C 3.6Å; H229-T232 PolarHBondContact O-N 3.46Å; H229-T232 PolarHBondContact O-OG1 2.66Å; H229-N233 PolarHBondContact NE2-ND2 3.34Å; H229-N233 VanDerWaalsContact O-CB 3.23Å; H229-N233 WeakPolarHBondContact O-CB 3.36Å; H229-N233 PolarHBondContact O-N 3.22Å; H229-F286 HydrophobicContact CB-CD2 4.38Å; H229-F286 HydrophobicContact CB-CE2 4.07Å; H229-D367 PolarHBondContact CD2-O 3.35Å; H229-D367 VanDerWaalsContact CD2-O 3.27Å; H229-D367 IonicContact NE2-OD1 3.81Å; H229-A371 HydrophobicContact CB-CB 3.38Å; H229-Q374 PolarHBondContact CE1-NE2 3.17Å; H229-Q374 PolarHBondContact ND1-NE2 3.04Å
230	V	97.9	Very high	95.7	Very high	81 Å²	81	49.8 Å²	49.8	49%	0.491	27%	0.27	S	S	.	.	H	α-helix	trans	-56.8	-42	-177.9	171.3	0	0	0	0	111.4	T226 E227 T232 N233 D367	T226-V230 HydrophobicContact CG2-CG2 4.3Å; T226-V230 WeakPolarHBondContact O-CG2 3.17Å; T226-V230 PolarHBondContact O-N 3.1Å; E227-V230 PolarHBondContact O-N 3.35Å; V230-T232 PolarHBondContact O-N 3.17Å; V230-N233 PolarHBondContact O-N 2.93Å; V230-D367 HydrophobicContact CG2-CB 4.49Å
231	A	97.7	Very high	95.4	Very high	69 Å²	69	51.1 Å²	51.1	57%	0.57	28%	0.277	S	S	*	.	H	α-helix	trans	-65.3	-21.6	178.5	0	0	0	0	0	113.9	E227 H229 K289	E227-A231 VanDerWaalsContact O-CB 3.22Å; E227-A231 WeakPolarHBondContact O-CB 3.45Å; E227-A231 PolarHBondContact O-N 2.92Å; H229-A231 VanDerWaalsContact C-N 3.27Å; H229-A231 PolarHBondContact O-N 2.85Å; A231-K289 HydrophobicContact CB-CD 4.18Å
232	T	97.9	Very high	95.2	Very high	6 Å²	6	54.6 Å²	54.6	4%	0.037	29%	0.29	C	S	.	.	H	α-helix	trans	-117.8	0.2	-175.5	63.1	0	0	0	0	113.1	A228 H229 V230 A234 R282 D285 F286 K289 R316	A228-T232 WeakPolarHBondContact O-CG2 3.35Å; A228-T232 PolarHBondContact O-N 2.76Å; A228-T232 PolarHBondContact O-OG1 2.86Å; H229-T232 CarbonylContact O-C 3.6Å; H229-T232 PolarHBondContact O-N 3.46Å; H229-T232 PolarHBondContact O-OG1 2.66Å; V230-T232 PolarHBondContact O-N 3.17Å; T232-A234 PolarHBondContact O-N 3.19Å; T232-R282 WeakPolarHBondContact CB-O 3.28Å; T232-R282 WeakPolarHBondContact O-CD 3.45Å; T232-D285 HydrophobicContact CG2-CB 3.79Å; T232-F286 HydrophobicContact CG2-CB 4.28Å; T232-K289 HydrophobicContact CG2-CD 4.17Å; T232-R316 PolarHBondContact O-NH1 2.9Å; T232-R316 PolarHBondContact OG1-NH2 2.82Å
233	N	94	Very high	95.1	Very high	20 Å²	20	56.1 Å²	56.1	11%	0.107	30%	0.296	C	S	.	.	S	Bend	trans	-84.6	109.6	-179.6	-164.1	26.3	0	0	0	110.1	H229 V230 Q235 G236 R320	H229-N233 PolarHBondContact NE2-ND2 3.34Å; H229-N233 VanDerWaalsContact O-CB 3.23Å; H229-N233 WeakPolarHBondContact O-CB 3.36Å; H229-N233 PolarHBondContact O-N 3.22Å; V230-N233 PolarHBondContact O-N 2.93Å; N233-Q235 PolarHBondContact O-N 3.16Å; N233-G236 PolarHBondContact O-N 3.04Å; N233-R320 PolarHBondContact OD1-NH2 2.86Å
234	A	89.2	Confident	95	Very high	9 Å²	9	58.9 Å²	58.9	7%	0.074	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	126.4	-176.3	0	0	0	0	0	112.6	T232 G236 R320 N331	T232-A234 PolarHBondContact O-N 3.19Å; A234-G236 PolarHBondContact O-N 3.11Å; A234-R320 PolarHBondContact O-NH2 3.32Å; A234-N331 WeakPolarHBondContact CB-O 3.42Å
235	Q	89.2	Confident	94.9	Very high	74 Å²	74	62 Å²	62	35%	0.346	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	1.3	-178.2	-53.8	-57.8	-21	0	0	116.9	N233 H238 W239 K242 G332	N233-Q235 PolarHBondContact O-N 3.16Å; Q235-H238 PolarHBondContact O-N 2.84Å; Q235-H238 VanDerWaalsContact O-N 3.11Å; Q235-W239 HydrophobicContact CB-CB 4.24Å; Q235-K242 HydrophobicContact CB-CD 4.34Å; Q235-K242 HydrophobicContact CG-CB 4.46Å; Q235-K242 HydrophobicContact CG-CD 4.19Å; Q235-G332 VanDerWaalsContact CG-O 3.28Å; Q235-G332 WeakPolarHBondContact CG-O 3.38Å
236	G	90.3	Very high	94.8	Very high	25 Å²	25	62.4 Å²	62.4	26%	0.258	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	47.8	-140.3	179.7	0	0	0	0	0	113	N233 A234 H238 W239	N233-G236 PolarHBondContact O-N 3.04Å; A234-G236 PolarHBondContact O-N 3.11Å; G236-H238 PolarHBondContact O-N 3.17Å; G236-W239 VanDerWaalsContact O-CD1 3.27Å; G236-W239 PolarHBondContact O-N 3.14Å
237	S	87.6	Confident	94.7	Very high	88 Å²	88	64.3 Å²	64.3	62%	0.615	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-65.9	-12.7	178	57.7	0	0	0	0	114.9
238	H	91.3	Very high	94.3	Very high	110 Å²	110	66.8 Å²	66.8	51%	0.509	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-93.1	10.6	-177.4	-61.5	-63.1	0	0	0	114.1	Q235 G236 K240 Q241 K242	Q235-H238 PolarHBondContact O-N 2.84Å; Q235-H238 VanDerWaalsContact O-N 3.11Å; G236-H238 PolarHBondContact O-N 3.17Å; H238-K240 VanDerWaalsContact C-N 3.26Å; H238-K240 PolarHBondContact O-N 2.88Å; H238-Q241 PolarHBondContact O-N 2.87Å; H238-Q241 PolarHBondContact O-OE1 2.86Å; H238-K242 HydrophobicContact CB-CD 4.5Å; H238-K242 PolarHBondContact O-N 3.13Å
239	W	93.6	Very high	94	Very high	41 Å²	41	72.5 Å²	72.5	16%	0.155	37%	0.374	C	S	.	.	H	α-helix	trans	-57.6	-37.6	-178.4	67.9	-96	0	0	0	112.3	Q235 G236 Q241 K242 R243 R320 D322 T329	Q235-W239 HydrophobicContact CB-CB 4.24Å; G236-W239 VanDerWaalsContact O-CD1 3.27Å; G236-W239 PolarHBondContact O-N 3.14Å; W239-Q241 VanDerWaalsContact C-N 3.32Å; W239-Q241 PolarHBondContact O-N 2.89Å; W239-K242 PolarHBondContact O-N 3.37Å; W239-R243 WeakPolarHBondContact O-CB 3.31Å; W239-R243 PolarHBondContact O-N 3.16Å; W239-R320 HydrophobicContact CD2-CB 4.02Å; W239-R320 HydrophobicContact CD2-CG 3.91Å; W239-R320 HydrophobicContact CE3-CB 4.11Å; W239-R320 HydrophobicContact CE3-CG 4.45Å; W239-R320 HydrophobicContact CG-CG 4.02Å; W239-R320 HydrophobicContact CH2-CB 4.22Å; W239-R320 WeakPolarHBondContact CH2-O 3.24Å; W239-R320 HydrophobicContact CZ2-CB 4.13Å; W239-R320 HydrophobicContact CZ2-CG 4.5Å; W239-R320 HydrophobicContact CZ3-CB 4.22Å; W239-R320 WeakPolarHBondContact CZ3-O 3.1Å; W239-D322 HydrophobicContact CH2-CB 4.13Å; W239-T329 HydrophobicContact CE3-CG2 4.07Å; W239-T329 VanDerWaalsContact CE3-OG1 3.3Å; W239-T329 WeakPolarHBondContact CZ3-OG1 3.45Å
240	K	93.7	Very high	93.7	Very high	73 Å²	73	72.8 Å²	72.8	32%	0.317	38%	0.376	S	S	.	.	H	α-helix	trans	-65.7	-33.1	-176.7	-170.7	164.6	176.3	167.2	0	112.6	H238 R243 D322 E324	H238-K240 VanDerWaalsContact C-N 3.26Å; H238-K240 PolarHBondContact O-N 2.88Å; K240-R243 PolarHBondContact O-NE 3.49Å; K240-D322 IonicContact NZ-OD1 2.78Å; K240-D322 PolarHBondContact NZ-OD1 2.8Å; K240-D322 IonicContact NZ-OD2 3.65Å; K240-E324 IonicContact NZ-OE2 2.75Å; K240-E324 PolarHBondContact NZ-OE2 2.9Å
241	Q	93.9	Very high	93.2	Very high	143 Å²	143	69 Å²	69	67%	0.668	35%	0.353	S	S	*	.	H	α-helix	trans	-83.3	-24.5	177.1	-62	80.6	10.6	0	0	113.2	H238 W239	H238-Q241 PolarHBondContact O-N 2.87Å; H238-Q241 PolarHBondContact O-OE1 2.86Å; W239-Q241 VanDerWaalsContact C-N 3.32Å; W239-Q241 PolarHBondContact O-N 2.89Å
242	K	93.3	Very high	92.5	Very high	111 Å²	111	71.2 Å²	71.2	48%	0.483	35%	0.352	S	S	.	.	H	α-helix	trans	-98.6	-13.7	-174.7	-68.2	-175.6	-179.6	-178.3	0	114.3	Q235 H238 W239	Q235-K242 HydrophobicContact CB-CD 4.34Å; Q235-K242 HydrophobicContact CG-CB 4.46Å; Q235-K242 HydrophobicContact CG-CD 4.19Å; H238-K242 HydrophobicContact CB-CD 4.5Å; H238-K242 PolarHBondContact O-N 3.13Å; W239-K242 PolarHBondContact O-N 3.37Å
243	R	96.1	Very high	91.2	Very high	35 Å²	35	73.8 Å²	73.8	13%	0.132	37%	0.374	C	S	.	.			trans	-63.1	145.9	178.9	72.7	-171.3	177.7	165.7	-3.5	111.8	W239 K240 D322 S325 T327 T329 E333 A335	W239-R243 WeakPolarHBondContact O-CB 3.31Å; W239-R243 PolarHBondContact O-N 3.16Å; K240-R243 PolarHBondContact O-NE 3.49Å; R243-D322 IonicContact CZ-OD2 3.27Å; R243-D322 VanDerWaalsContact CZ-OD2 3.27Å; R243-D322 IonicContact NH1-OD2 3Å; R243-D322 PolarHBondContact NH1-OD2 3.18Å; R243-D322 IonicContact NH2-OD2 2.68Å; R243-D322 PolarHBondContact NH2-OD2 3.12Å; R243-S325 PolarHBondContact NH1-OG 3.16Å; R243-T327 PolarHBondContact NH1-OG1 2.96Å; R243-T329 HydrophobicContact CB-CG2 3.64Å; R243-T329 WeakPolarHBondContact CD-OG1 3.46Å; R243-E333 CarbonylContact C-O 3.42Å; R243-E333 WeakPolarHBondContact CA-O 3.33Å; R243-A335 HydrophobicContact CB-CB 4.22Å; R243-A335 HydrophobicContact CG-CB 4.16Å
244	K	97	Very high	89.6	Confident	161 Å²	161	76.5 Å²	76.5	70%	0.7	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.1	171.8	-62.7	178.8	-177.3	177	0	107.7	E333 M334 A335	K244-E333 PolarHBondContact N-O 3.4Å; K244-M334 WeakPolarHBondContact O-CA 3.47Å; K244-A335 PolarHBondContact O-N 3.48Å
245	F	97.6	Very high	87.9	Confident	114 Å²	114	83.8 Å²	83.8	50%	0.5	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	134	176.2	-68.9	-93.3	0	0	0	109.9	T327 A335	F245-T327 HydrophobicContact CD1-CG2 4.2Å; F245-T327 HydrophobicContact CE1-CG2 3.84Å; F245-A335 WeakPolarHBondContact CA-O 3.36Å; F245-A335 HydrophobicContact CD1-CB 3.71Å; F245-A335 HydrophobicContact CE1-CB 3.89Å; F245-A335 HydrophobicContact CG-CB 4.05Å; F245-A335 HydrophobicContact CZ-CB 4.37Å
246	L	96.9	Very high	86	Confident	9 Å²	9	85.9 Å²	85.9	5%	0.047	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-63.6	129.1	167.9	-172	71.3	0	0	0	108	E248 I250 H271 F272 M334 A335 V336 Q340	L246-E248 PolarHBondContact O-N 3.27Å; L246-I250 HydrophobicContact CD1-CD1 4.37Å; L246-I250 HydrophobicContact CD1-CG2 4.41Å; L246-I250 HydrophobicContact CD2-CB 4.42Å; L246-I250 HydrophobicContact CD2-CG2 3.96Å; L246-I250 HydrophobicContact CG-CB 4.31Å; L246-I250 HydrophobicContact CG-CG2 4.24Å; L246-H271 HydrophobicContact CD1-CB 4.07Å; L246-F272 HydrophobicContact CD2-CE1 4.06Å; L246-F272 HydrophobicContact CD2-CZ 4.17Å; L246-M334 HydrophobicContact CD1-SD 4.24Å; L246-A335 PolarHBondContact N-O 3.28Å; L246-V336 HydrophobicContact CB-CG1 4.21Å; L246-V336 HydrophobicContact CD2-CG1 4.33Å; L246-Q340 HydrophobicContact CD2-CB 4.17Å; L246-Q340 HydrophobicContact CD2-CG 4.32Å; L246-Q340 PolarHBondContact O-NE2 3.05Å; L246-Q340 VanDerWaalsContact O-NE2 3.12Å
247	P	96	Very high	83.7	Confident	64 Å²	64	92 Å²	92	42%	0.416	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-48.1	138.7	-179.8	-30.1	35.8	0	0	0	113	D249 I250 Q340	P247-D249 WeakPolarHBondContact CB-OD1 3.15Å; P247-D249 PolarHBondContact O-N 3.47Å; P247-I250 HydrophobicContact CB-CD1 4.13Å; P247-I250 HydrophobicContact CB-CG1 4.29Å; P247-I250 HydrophobicContact CG-CD1 4.08Å; P247-I250 PolarHBondContact O-N 3.24Å; P247-I250 VanDerWaalsContact O-N 3.12Å; P247-Q340 PolarHBondContact O-NE2 3.16Å
248	E	90.6	Very high	81.8	Confident	167 Å²	167	91.1 Å²	91.1	78%	0.78	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-24.3	-172.9	-67.7	-176.5	174.6	0	0	113.2	L246 I250 Q252	L246-E248 PolarHBondContact O-N 3.27Å; E248-I250 VanDerWaalsContact C-N 3.3Å; E248-Q252 WeakPolarHBondContact O-CG 3.33Å; E248-Q252 PolarHBondContact O-NE2 3.33Å
249	D	91.4	Very high	79.6	Confident	122 Å²	122	92.4 Å²	92.4	65%	0.652	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-22.5	176.6	56	-42.2	0	0	0	113.4	P247	P247-D249 WeakPolarHBondContact CB-OD1 3.15Å; P247-D249 PolarHBondContact O-N 3.47Å
250	I	92.3	Very high	77.4	Confident	6 Å²	6	97.2 Å²	97.2	3%	0.031	51%	0.513	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	137.5	178.3	-59.2	176.9	0	0	0	109.6	L246 P247 E248 E267 A268 Q340	L246-I250 HydrophobicContact CD1-CD1 4.37Å; L246-I250 HydrophobicContact CD1-CG2 4.41Å; L246-I250 HydrophobicContact CD2-CB 4.42Å; L246-I250 HydrophobicContact CD2-CG2 3.96Å; L246-I250 HydrophobicContact CG-CB 4.31Å; L246-I250 HydrophobicContact CG-CG2 4.24Å; P247-I250 HydrophobicContact CB-CD1 4.13Å; P247-I250 HydrophobicContact CB-CG1 4.29Å; P247-I250 HydrophobicContact CG-CD1 4.08Å; P247-I250 PolarHBondContact O-N 3.24Å; P247-I250 VanDerWaalsContact O-N 3.12Å; E248-I250 VanDerWaalsContact C-N 3.3Å; I250-E267 HydrophobicContact CD1-CG 4.13Å; I250-E267 HydrophobicContact CG1-CG 4.21Å; I250-E267 HydrophobicContact CG2-CG 4.25Å; I250-A268 HydrophobicContact CG2-CB 3.64Å; I250-Q340 VanDerWaalsContact O-CG 3.29Å; I250-Q340 WeakPolarHBondContact O-CG 3.29Å; I250-Q340 PolarHBondContact O-NE2 3.29Å; I250-Q340 VanDerWaalsContact O-NE2 3.17Å
251	G	87.5	Confident	75.4	Confident	1 Å²	1	97.2 Å²	97.2	1%	0.01	53%	0.534	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	21	174.4	0	0	0	0	0	114.2	D265 N343	G251-D265 WeakPolarHBondContact CA-OD2 3.33Å; G251-D265 PolarHBondContact N-OD2 2.93Å; G251-N343 WeakPolarHBondContact O-CB 3.41Å; G251-N343 PolarHBondContact O-ND2 3.41Å
252	Q	84.3	Confident	73.8	Confident	117 Å²	117	93.1 Å²	93.1	55%	0.547	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-75.9	150.7	177.6	-70.1	-61.8	-26.2	0	0	112.1	E248	E248-Q252 WeakPolarHBondContact O-CG 3.33Å; E248-Q252 PolarHBondContact O-NE2 3.33Å
253	A	69.8	Low	73.2	Confident	60 Å²	60	94.9 Å²	94.9	50%	0.496	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-64.3	139.2	175.7	0	0	0	0	0	109.6	I255 N343	A253-I255 PolarHBondContact O-N 3.37Å; A253-N343 PolarHBondContact N-ND2 2.77Å
254	P	60.4	Low	72.9	Confident	76 Å²	76	93.7 Å²	93.7	49%	0.494	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-55.5	119.9	174.9	-21.7	30.6	0	0	0	109.7	V256	P254-V256 PolarHBondContact O-N 2.77Å
255	I	52.5	Low	72.8	Confident	162 Å²	162	87.8 Å²	87.8	83%	0.831	51%	0.51	S	S	*	.			trans	-56.8	113.1	177.7	-58.2	171.6	0	0	0	107.4	A253	A253-I255 PolarHBondContact O-N 3.37Å
256	V	49.1	Very low	72.5	Confident	118 Å²	118	85.9 Å²	85.9	72%	0.715	51%	0.505	S	S	*	.	S	Bend	trans	8	109.9	164.5	-166.8	0	0	0	0	114.3	P254	P254-V256 PolarHBondContact O-N 2.77Å
257	N	43	Very low	72.4	Confident	153 Å²	153	90.8 Å²	90.8	82%	0.818	53%	0.528	S	S	*	.			trans	113	34.7	170	-53.8	-40.3	0	0	0	118.4	P259	N257-P259 WeakPolarHBondContact O-CD 3.28Å
258	A	47.1	Very low	72.4	Confident	70 Å²	70	87.8 Å²	87.8	58%	0.579	51%	0.508	S	S	*	.			trans	-86.8	117.6	157.1	0	0	0	0	0	109.6	E260	A258-E260 PolarHBondContact O-N 3.17Å; A258-E260 VanDerWaalsContact O-N 3.16Å
259	P	45.4	Very low	72.6	Confident	137 Å²	137	80.1 Å²	80.1	89%	0.89	47%	0.472	S	S	*	.	S	Bend	trans	-73.5	3.3	-177.1	-15.7	30.7	0	0	0	115.3	N257	N257-P259 WeakPolarHBondContact O-CD 3.28Å
260	E	47.5	Very low	72.7	Confident	142 Å²	142	75.9 Å²	75.9	66%	0.664	45%	0.452	S	S	*	.	S	Bend	trans	-129.7	133.3	179.8	-68.7	177.7	168	0	0	108.3	A258	A258-E260 PolarHBondContact O-N 3.17Å; A258-E260 VanDerWaalsContact O-N 3.16Å
261	G	51.8	Low	72.9	Confident	73 Å²	73	78.1 Å²	78.1	75%	0.753	46%	0.462	S	S	*	.	S	Bend	trans	-41.2	137.1	-171.6	0	0	0	0	0	114.4	K263	G261-K263 PolarHBondContact O-N 3.46Å; G261-K263 VanDerWaalsContact O-N 3.08Å
262	G	61.2	Low	73.3	Confident	57 Å²	57	79 Å²	79	59%	0.588	47%	0.466	S	S	*	.			trans	-38.1	106.2	-167.1	0	0	0	0	0	114.9
263	K	80.1	Confident	73.7	Confident	148 Å²	148	74.3 Å²	74.3	64%	0.643	45%	0.445	S	S	*	.			trans	-61.2	145.6	172.8	-67.1	-176.6	178.9	-179.4	0	110.3	G261	G261-K263 PolarHBondContact O-N 3.46Å; G261-K263 VanDerWaalsContact O-N 3.08Å
264	V	90.6	Very high	74.9	Confident	10 Å²	10	77.5 Å²	77.5	6%	0.061	45%	0.448	C	S	.	.			trans	-60.2	134.3	170.2	174.6	0	0	0	0	109.6	L266 F269 N343 R438 E445	V264-L266 PolarHBondContact O-N 3.29Å; V264-L266 VanDerWaalsContact O-N 3.11Å; V264-F269 HydrophobicContact CG1-CB 3.77Å; V264-F269 HydrophobicContact CG1-CG 4.18Å; V264-N343 WeakPolarHBondContact CA-O 3.44Å; V264-R438 VanDerWaalsContact CG2-NH2 3.32Å; V264-E445 HydrophobicContact CG2-CB 4.03Å; V264-E445 VanDerWaalsContact CG2-OE2 3.23Å; V264-E445 WeakPolarHBondContact CG2-OE2 3.27Å
265	D	93.6	Very high	76.5	Confident	37 Å²	37	74.5 Å²	74.5	20%	0.198	43%	0.427	C	S	.	.			trans	-67.7	106.3	166.7	-177.3	-32.1	0	0	0	108.5	G251 E267 A268 F269 N343	G251-D265 WeakPolarHBondContact CA-OD2 3.33Å; G251-D265 PolarHBondContact N-OD2 2.93Å; D265-E267 VanDerWaalsContact C-N 3.27Å; D265-E267 PolarHBondContact O-N 3.38Å; D265-E267 WeakPolarHBondContact OD1-CA 3.38Å; D265-E267 WeakPolarHBondContact OD1-CB 3.47Å; D265-E267 PolarHBondContact OD1-N 3.11Å; D265-A268 HydrophobicContact CB-CB 3.92Å; D265-A268 PolarHBondContact O-N 3.4Å; D265-A268 PolarHBondContact OD1-N 3.42Å; D265-F269 WeakPolarHBondContact O-CB 3.29Å; D265-F269 PolarHBondContact O-N 3.42Å; D265-N343 PolarHBondContact N-O 3.17Å
266	L	92.5	Very high	78.5	Confident	75 Å²	75	68.5 Å²	68.5	39%	0.393	40%	0.397	S	S	.	.	H	α-helix	trans	-68.2	-26.3	-175.5	-63.8	-177.5	0	0	0	112.9	V264 S270 C446 P447 L450	V264-L266 PolarHBondContact O-N 3.29Å; V264-L266 VanDerWaalsContact O-N 3.11Å; L266-S270 VanDerWaalsContact O-CB 3.24Å; L266-S270 WeakPolarHBondContact O-CB 3.44Å; L266-S270 PolarHBondContact O-N 2.7Å; L266-C446 HydrophobicContact CD2-CB 4.32Å; L266-P447 HydrophobicContact CD1-CG 4.42Å; L266-L450 HydrophobicContact CD2-CD1 4.36Å
267	E	94.1	Very high	80.8	Confident	112 Å²	112	64.4 Å²	64.4	52%	0.523	37%	0.372	S	S	.	.	H	α-helix	trans	-72.5	-48.6	176	-176.2	168.8	-170.6	0	0	109.8	I250 D265 F269 S270 H271	I250-E267 HydrophobicContact CD1-CG 4.13Å; I250-E267 HydrophobicContact CG1-CG 4.21Å; I250-E267 HydrophobicContact CG2-CG 4.25Å; D265-E267 VanDerWaalsContact C-N 3.27Å; D265-E267 PolarHBondContact O-N 3.38Å; D265-E267 WeakPolarHBondContact OD1-CA 3.38Å; D265-E267 WeakPolarHBondContact OD1-CB 3.47Å; D265-E267 PolarHBondContact OD1-N 3.11Å; E267-F269 VanDerWaalsContact C-N 3.32Å; E267-F269 PolarHBondContact O-N 3.41Å; E267-S270 WeakPolarHBondContact O-CB 3.33Å; E267-S270 PolarHBondContact O-N 2.91Å; E267-H271 PolarHBondContact O-CD2 2.92Å; E267-H271 VanDerWaalsContact O-CD2 3.25Å; E267-H271 PolarHBondContact O-N 2.83Å
268	A	95	Very high	83.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-58.3	-45.3	173.1	0	0	0	0	0	111.5	I250 D265 S270 H271 F272	I250-A268 HydrophobicContact CG2-CB 3.64Å; D265-A268 HydrophobicContact CB-CB 3.92Å; D265-A268 PolarHBondContact O-N 3.4Å; D265-A268 PolarHBondContact OD1-N 3.42Å; A268-S270 PolarHBondContact O-N 3.45Å; A268-H271 WeakPolarHBondContact O-CB 3.44Å; A268-H271 PolarHBondContact O-N 3.15Å; A268-H271 VanDerWaalsContact O-N 3.13Å; A268-F272 HydrophobicContact CB-CE2 4.4Å; A268-F272 WeakPolarHBondContact O-CD2 3.31Å; A268-F272 WeakPolarHBondContact O-CG 3.36Å; A268-F272 PolarHBondContact O-N 3.24Å
269	F	95.2	Very high	85.7	Confident	7 Å²	7	56.9 Å²	56.9	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-59.9	-43.9	176.9	-176.4	-117.7	0	0	0	111.9	V264 D265 E267 H271 F272 T273 G344 M442 C446 L450 F451	V264-F269 HydrophobicContact CG1-CB 3.77Å; V264-F269 HydrophobicContact CG1-CG 4.18Å; D265-F269 WeakPolarHBondContact O-CB 3.29Å; D265-F269 PolarHBondContact O-N 3.42Å; E267-F269 VanDerWaalsContact C-N 3.32Å; E267-F269 PolarHBondContact O-N 3.41Å; F269-H271 VanDerWaalsContact C-N 3.28Å; F269-H271 PolarHBondContact O-N 2.84Å; F269-F272 PolarHBondContact O-N 2.86Å; F269-F272 VanDerWaalsContact O-N 3.08Å; F269-T273 HydrophobicContact CD1-CG2 4.17Å; F269-T273 HydrophobicContact CD2-CG2 4.17Å; F269-T273 HydrophobicContact CE1-CG2 3.82Å; F269-T273 HydrophobicContact CE2-CG2 3.79Å; F269-T273 HydrophobicContact CG-CG2 4.35Å; F269-T273 HydrophobicContact CZ-CG2 3.61Å; F269-T273 VanDerWaalsContact O-CG2 3.3Å; F269-T273 WeakPolarHBondContact O-CG2 3.23Å; F269-T273 PolarHBondContact O-N 2.92Å; F269-T273 PolarHBondContact O-OG1 3.21Å; F269-G344 WeakPolarHBondContact CA-O 3.41Å; F269-G344 WeakPolarHBondContact CB-O 3.25Å; F269-G344 WeakPolarHBondContact CD2-O 3.49Å; F269-M442 HydrophobicContact CD2-CE 4.13Å; F269-M442 HydrophobicContact CE2-CE 3.32Å; F269-M442 HydrophobicContact CZ-CE 4.04Å; F269-C446 HydrophobicContact CD1-CB 4.05Å; F269-C446 HydrophobicContact CE1-CB 3.72Å; F269-C446 HydrophobicContact CZ-CB 4.34Å; F269-L450 HydrophobicContact CD1-CB 4.05Å; F269-L450 HydrophobicContact CD1-CD1 3.84Å; F269-L450 HydrophobicContact CE1-CB 3.66Å; F269-L450 HydrophobicContact CE1-CD1 4.23Å; F269-F451 HydrophobicContact CE1-CE1 4.45Å; F269-F451 HydrophobicContact CE1-CE2 4.27Å; F269-F451 HydrophobicContact CE1-CZ 4.2Å; F269-F451 HydrophobicContact CE2-CE1 4.42Å; F269-F451 AromaticContact CZ-CD1 3.96Å; F269-F451 HydrophobicContact CZ-CD1 3.96Å; F269-F451 AromaticContact CZ-CE1 3.61Å; F269-F451 HydrophobicContact CZ-CE1 3.61Å; F269-F451 HydrophobicContact CZ-CE2 4.21Å; F269-F451 HydrophobicContact CZ-CG 4.41Å; F269-F451 AromaticContact CZ-CZ 3.74Å; F269-F451 HydrophobicContact CZ-CZ 3.74Å
270	S	94.4	Very high	88.2	Confident	32 Å²	32	50.4 Å²	50.4	22%	0.224	29%	0.285	C	S	.	.	H	α-helix	trans	-60.6	-34	175.2	-179.1	0	0	0	0	113	L266 E267 A268 T273 K274	L266-S270 VanDerWaalsContact O-CB 3.24Å; L266-S270 WeakPolarHBondContact O-CB 3.44Å; L266-S270 PolarHBondContact O-N 2.7Å; E267-S270 WeakPolarHBondContact O-CB 3.33Å; E267-S270 PolarHBondContact O-N 2.91Å; A268-S270 PolarHBondContact O-N 3.45Å; S270-T273 WeakPolarHBondContact CA-OG1 3.41Å; S270-T273 PolarHBondContact O-OG1 3.41Å; S270-T273 VanDerWaalsContact O-OG1 3.06Å; S270-K274 WeakPolarHBondContact O-CD 3.37Å; S270-K274 WeakPolarHBondContact O-CE 3.45Å; S270-K274 VanDerWaalsContact O-CG 3.31Å; S270-K274 WeakPolarHBondContact O-CG 3.01Å
271	H	95.4	Very high	90.6	Very high	54 Å²	54	45.8 Å²	45.8	25%	0.25	27%	0.266	C	S	.	.	H	α-helix	trans	-68.8	-41	171.9	-81.8	-75.9	0	0	0	112.3	L246 E267 A268 F269 K274 M334	L246-H271 HydrophobicContact CD1-CB 4.07Å; E267-H271 PolarHBondContact O-CD2 2.92Å; E267-H271 VanDerWaalsContact O-CD2 3.25Å; E267-H271 PolarHBondContact O-N 2.83Å; A268-H271 WeakPolarHBondContact O-CB 3.44Å; A268-H271 PolarHBondContact O-N 3.15Å; A268-H271 VanDerWaalsContact O-N 3.13Å; F269-H271 VanDerWaalsContact C-N 3.28Å; F269-H271 PolarHBondContact O-N 2.84Å; H271-K274 PolarHBondContact O-N 3.32Å; H271-M334 HydrophobicContact CB-CE 4.1Å; H271-M334 HydrophobicContact CB-SD 4.44Å
272	F	95.8	Very high	92.9	Very high	19 Å²	19	45.5 Å²	45.5	8%	0.083	24%	0.243	C	C	.	.	H	α-helix	trans	-69.5	-37.1	179.1	-59.7	-24.6	0	0	0	112.9	L246 A268 F269 K274 I275 I276 L330 M334 V336 L341 G344	L246-F272 HydrophobicContact CD2-CE1 4.06Å; L246-F272 HydrophobicContact CD2-CZ 4.17Å; A268-F272 HydrophobicContact CB-CE2 4.4Å; A268-F272 WeakPolarHBondContact O-CD2 3.31Å; A268-F272 WeakPolarHBondContact O-CG 3.36Å; A268-F272 PolarHBondContact O-N 3.24Å; F269-F272 PolarHBondContact O-N 2.86Å; F269-F272 VanDerWaalsContact O-N 3.08Å; F272-K274 PolarHBondContact O-N 3.15Å; F272-I275 WeakPolarHBondContact O-CG1 3.46Å; F272-I275 PolarHBondContact O-N 3.02Å; F272-I275 VanDerWaalsContact O-N 3.13Å; F272-I276 PolarHBondContact O-N 3.45Å; F272-L330 HydrophobicContact CD1-CD1 4.23Å; F272-L330 HydrophobicContact CE1-CD1 4.26Å; F272-M334 HydrophobicContact CD1-SD 3.82Å; F272-M334 HydrophobicContact CE1-SD 3.85Å; F272-V336 HydrophobicContact CE1-CG1 3.73Å; F272-V336 HydrophobicContact CZ-CG1 4.2Å; F272-L341 HydrophobicContact CD2-CD1 4.3Å; F272-L341 HydrophobicContact CE2-CD1 3.88Å; F272-L341 HydrophobicContact CZ-CD1 4.09Å; F272-G344 WeakPolarHBondContact CD2-O 3.38Å
273	T	93.9	Very high	94.6	Very high	18 Å²	18	42.9 Å²	42.9	11%	0.11	22%	0.215	C	C	.	.	H	α-helix	trans	-65.8	-26.6	177.2	58.8	0	0	0	0	112.6	F269 S270 I275 I276 L450	F269-T273 HydrophobicContact CD1-CG2 4.17Å; F269-T273 HydrophobicContact CD2-CG2 4.17Å; F269-T273 HydrophobicContact CE1-CG2 3.82Å; F269-T273 HydrophobicContact CE2-CG2 3.79Å; F269-T273 HydrophobicContact CG-CG2 4.35Å; F269-T273 HydrophobicContact CZ-CG2 3.61Å; F269-T273 VanDerWaalsContact O-CG2 3.3Å; F269-T273 WeakPolarHBondContact O-CG2 3.23Å; F269-T273 PolarHBondContact O-N 2.92Å; F269-T273 PolarHBondContact O-OG1 3.21Å; S270-T273 WeakPolarHBondContact CA-OG1 3.41Å; S270-T273 PolarHBondContact O-OG1 3.41Å; S270-T273 VanDerWaalsContact O-OG1 3.06Å; T273-I275 VanDerWaalsContact C-N 3.33Å; T273-I275 PolarHBondContact O-N 3.02Å; T273-I276 WeakPolarHBondContact O-CG2 3.25Å; T273-L450 WeakPolarHBondContact CB-O 3.45Å; T273-L450 WeakPolarHBondContact CG2-O 3.29Å
274	K	93.5	Very high	95.5	Very high	128 Å²	128	36.5 Å²	36.5	56%	0.557	19%	0.188	S	C	*	.	H	α-helix	trans	-67.7	-30.8	173.6	-69.7	164.7	-168.5	165.1	0	113.2	S270 H271 F272	S270-K274 WeakPolarHBondContact O-CD 3.37Å; S270-K274 WeakPolarHBondContact O-CE 3.45Å; S270-K274 VanDerWaalsContact O-CG 3.31Å; S270-K274 WeakPolarHBondContact O-CG 3.01Å; H271-K274 PolarHBondContact O-N 3.32Å; F272-K274 PolarHBondContact O-N 3.15Å
275	I	94.8	Very high	95.9	Very high	13 Å²	13	39.1 Å²	39.1	7%	0.067	20%	0.202	C	C	.	.	H	α-helix	trans	-99.2	-15.6	-177.3	63.7	167.2	0	0	0	113.6	F272 T273 P278 A279 L330 N331 E333 M334	F272-I275 WeakPolarHBondContact O-CG1 3.46Å; F272-I275 PolarHBondContact O-N 3.02Å; F272-I275 VanDerWaalsContact O-N 3.13Å; T273-I275 VanDerWaalsContact C-N 3.33Å; T273-I275 PolarHBondContact O-N 3.02Å; I275-P278 WeakPolarHBondContact O-CD 3.45Å; I275-A279 WeakPolarHBondContact O-CB 3.46Å; I275-A279 PolarHBondContact O-N 2.78Å; I275-L330 HydrophobicContact CD1-CB 3.5Å; I275-L330 VanDerWaalsContact CD1-CB 3.5Å; I275-L330 HydrophobicContact CD1-CD1 4.02Å; I275-L330 HydrophobicContact CD1-CG 4.43Å; I275-N331 HydrophobicContact CB-CB 3.98Å; I275-N331 HydrophobicContact CD1-CB 4.26Å; I275-E333 WeakPolarHBondContact CG2-OE1 3.4Å; I275-M334 HydrophobicContact CD1-CB 4.17Å; I275-M334 HydrophobicContact CD1-CE 4.17Å; I275-M334 HydrophobicContact CD1-SD 3.93Å; I275-M334 HydrophobicContact CG2-CE 3.82Å
276	I	95.2	Very high	96.1	Very high	36 Å²	36	37.3 Å²	37.3	19%	0.185	19%	0.193	C	C	.	.	H	α-helix	trans	-69.3	-41.1	-176	-157.3	64.9	0	0	0	112.4	F272 T273 A279 I280 M313 P452 F455	F272-I276 PolarHBondContact O-N 3.45Å; T273-I276 WeakPolarHBondContact O-CG2 3.25Å; I276-A279 WeakPolarHBondContact O-CA 3.18Å; I276-A279 WeakPolarHBondContact O-CB 3.46Å; I276-A279 PolarHBondContact O-N 3.42Å; I276-A279 VanDerWaalsContact O-N 3.07Å; I276-I280 HydrophobicContact CG1-CD1 4.2Å; I276-I280 HydrophobicContact CG1-CG1 4.45Å; I276-I280 WeakPolarHBondContact O-CG1 3.46Å; I276-I280 PolarHBondContact O-N 2.97Å; I276-M313 HydrophobicContact CD1-CE 3.93Å; I276-M313 HydrophobicContact CD1-SD 3.87Å; I276-P452 HydrophobicContact CG2-CG 3.83Å; I276-F455 HydrophobicContact CG1-CD2 3.64Å; I276-F455 HydrophobicContact CG1-CE2 4Å; I276-F455 HydrophobicContact CG2-CB 4.41Å; I276-F455 HydrophobicContact CG2-CD2 4.09Å
277	T	95.8	Very high	96.4	Very high	31 Å²	31	33.8 Å²	33.8	19%	0.19	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-51.5	179.5	-61.5	0	0	0	0	111.4	A279 I280 T281 P452 L454	T277-A279 PolarHBondContact O-N 2.99Å; T277-I280 PolarHBondContact O-N 2.69Å; T277-T281 PolarHBondContact O-N 3.31Å; T277-T281 PolarHBondContact O-OG1 3.43Å; T277-T281 VanDerWaalsContact O-OG1 3.06Å; T277-P452 VanDerWaalsContact OG1-CB 3.24Å; T277-P452 WeakPolarHBondContact OG1-CB 3.46Å; T277-L454 HydrophobicContact CG2-CB 4.48Å; T277-L454 HydrophobicContact CG2-CD2 4.01Å
278	P	96.8	Very high	96.7	Very high	48 Å²	48	32.9 Å²	32.9	31%	0.312	17%	0.168	S	C	.	.	H	α-helix	trans	-57.7	-33.8	171.9	-25.3	33.3	0	0	0	114	I275 R282	I275-P278 WeakPolarHBondContact O-CD 3.45Å; P278-R282 VanDerWaalsContact C-NH1 3.25Å; P278-R282 WeakPolarHBondContact O-CG 3.29Å; P278-R282 PolarHBondContact O-N 3.49Å; P278-R282 VanDerWaalsContact O-N 3.17Å; P278-R282 PolarHBondContact O-NH1 2.98Å
279	A	97.6	Very high	96.8	Very high	18 Å²	18	37.9 Å²	37.9	15%	0.149	19%	0.19	C	C	.	.	H	α-helix	trans	-67.2	-47.5	178	0	0	0	0	0	111.4	I275 I276 T277 R282 V283 M313	I275-A279 WeakPolarHBondContact O-CB 3.46Å; I275-A279 PolarHBondContact O-N 2.78Å; I276-A279 WeakPolarHBondContact O-CA 3.18Å; I276-A279 WeakPolarHBondContact O-CB 3.46Å; I276-A279 PolarHBondContact O-N 3.42Å; I276-A279 VanDerWaalsContact O-N 3.07Å; T277-A279 PolarHBondContact O-N 2.99Å; A279-R282 PolarHBondContact O-N 3.3Å; A279-V283 PolarHBondContact O-N 3.3Å; A279-M313 HydrophobicContact CB-CG 4.4Å; A279-M313 HydrophobicContact CB-SD 3.62Å
280	I	98.1	Very high	97	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.7	-49.6	175.7	-65.5	169.8	0	0	0	110.4	I276 T277 R282 V283 V284 M313 L454 F455 V458 F459	I276-I280 HydrophobicContact CG1-CD1 4.2Å; I276-I280 HydrophobicContact CG1-CG1 4.45Å; I276-I280 WeakPolarHBondContact O-CG1 3.46Å; I276-I280 PolarHBondContact O-N 2.97Å; T277-I280 PolarHBondContact O-N 2.69Å; I280-R282 PolarHBondContact O-N 3.39Å; I280-V283 WeakPolarHBondContact O-CA 3.37Å; I280-V283 WeakPolarHBondContact O-CB 3.35Å; I280-V283 PolarHBondContact O-N 2.91Å; I280-V284 HydrophobicContact CG2-CG2 4.41Å; I280-V284 PolarHBondContact O-N 3.11Å; I280-M313 HydrophobicContact CG1-CE 4.07Å; I280-M313 HydrophobicContact CG1-SD 3.99Å; I280-L454 HydrophobicContact CB-CD2 4.07Å; I280-L454 HydrophobicContact CB-CG 4.47Å; I280-L454 HydrophobicContact CG2-CD1 4.4Å; I280-L454 HydrophobicContact CG2-CD2 3.73Å; I280-L454 HydrophobicContact CG2-CG 3.87Å; I280-F455 HydrophobicContact CD1-CB 4.25Å; I280-F455 HydrophobicContact CD1-CD2 4.18Å; I280-V458 HydrophobicContact CG2-CG2 3.92Å; I280-F459 HydrophobicContact CD1-CE2 4.02Å
281	T	98.2	Very high	97.2	Very high	45 Å²	45	39.6 Å²	39.6	28%	0.276	20%	0.201	S	C	.	.	H	α-helix	trans	-55.9	-41.2	179.7	-58.1	0	0	0	0	111.6	T277 V283 V284 D285	T277-T281 PolarHBondContact O-N 3.31Å; T277-T281 PolarHBondContact O-OG1 3.43Å; T277-T281 VanDerWaalsContact O-OG1 3.06Å; T281-V283 VanDerWaalsContact C-N 3.29Å; T281-V283 PolarHBondContact O-N 3.27Å; T281-V284 PolarHBondContact O-N 3.4Å; T281-D285 WeakPolarHBondContact O-CB 3.35Å; T281-D285 VanDerWaalsContact O-CG 3.26Å; T281-D285 PolarHBondContact O-N 3.5Å
282	R	98.3	Very high	97.3	Very high	68 Å²	68	38.9 Å²	38.9	26%	0.257	20%	0.198	S	C	.	.	H	α-helix	trans	-69.8	-21.3	177	-71.3	-170.6	-158.4	92.4	-19.6	114.1	T232 P278 A279 I280 F286 R316 N331	T232-R282 WeakPolarHBondContact CB-O 3.28Å; T232-R282 WeakPolarHBondContact O-CD 3.45Å; P278-R282 VanDerWaalsContact C-NH1 3.25Å; P278-R282 WeakPolarHBondContact O-CG 3.29Å; P278-R282 PolarHBondContact O-N 3.49Å; P278-R282 VanDerWaalsContact O-N 3.17Å; P278-R282 PolarHBondContact O-NH1 2.98Å; A279-R282 PolarHBondContact O-N 3.3Å; I280-R282 PolarHBondContact O-N 3.39Å; R282-F286 WeakPolarHBondContact O-CB 3.49Å; R282-F286 PolarHBondContact O-N 3.34Å; R282-R316 PolarHBondContact O-NH1 3.12Å; R282-N331 PolarHBondContact NH1-OD1 3.45Å
283	V	98.5	Very high	97.4	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-75	-43.3	169.4	178.8	0	0	0	0	110.2	A279 I280 T281 D285 F286 A287 I312 M313	A279-V283 PolarHBondContact O-N 3.3Å; I280-V283 WeakPolarHBondContact O-CA 3.37Å; I280-V283 WeakPolarHBondContact O-CB 3.35Å; I280-V283 PolarHBondContact O-N 2.91Å; T281-V283 VanDerWaalsContact C-N 3.29Å; T281-V283 PolarHBondContact O-N 3.27Å; V283-D285 PolarHBondContact O-N 3.36Å; V283-F286 WeakPolarHBondContact O-CB 3.42Å; V283-F286 PolarHBondContact O-N 3.32Å; V283-A287 PolarHBondContact O-N 3.04Å; V283-I312 HydrophobicContact CB-CG2 4.44Å; V283-I312 HydrophobicContact CG1-CB 4.17Å; V283-I312 HydrophobicContact CG1-CD1 3.92Å; V283-I312 HydrophobicContact CG1-CG2 4.03Å; V283-I312 HydrophobicContact CG2-CB 4.27Å; V283-I312 HydrophobicContact CG2-CG2 3.67Å; V283-M313 HydrophobicContact CG2-CG 3.87Å
284	V	98.5	Very high	97.6	Very high	14 Å²	14	40.1 Å²	40.1	9%	0.085	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-45	175.7	178.1	0	0	0	0	110.9	I280 T281 F286 A287 K288 L305	I280-V284 HydrophobicContact CG2-CG2 4.41Å; I280-V284 PolarHBondContact O-N 3.11Å; T281-V284 PolarHBondContact O-N 3.4Å; V284-F286 VanDerWaalsContact C-N 3.27Å; V284-F286 PolarHBondContact O-N 3.16Å; V284-A287 PolarHBondContact O-N 3.22Å; V284-K288 HydrophobicContact CG1-CD 4.1Å; V284-K288 HydrophobicContact CG1-CG 4.48Å; V284-K288 WeakPolarHBondContact O-CG 3.46Å; V284-K288 PolarHBondContact O-N 3.22Å; V284-L305 HydrophobicContact CG1-CD1 4.34Å; V284-L305 HydrophobicContact CG2-CD1 4.28Å; V284-L305 HydrophobicContact CG2-CD2 4.2Å
285	D	98.7	Very high	97.8	Very high	65 Å²	65	39 Å²	39	35%	0.348	21%	0.206	S	C	.	.	H	α-helix	trans	-64.5	-32.6	177.4	-69.8	-23.1	0	0	0	112.3	T232 T281 V283 K289	T232-D285 HydrophobicContact CG2-CB 3.79Å; T281-D285 WeakPolarHBondContact O-CB 3.35Å; T281-D285 VanDerWaalsContact O-CG 3.26Å; T281-D285 PolarHBondContact O-N 3.5Å; V283-D285 PolarHBondContact O-N 3.36Å; D285-K289 VanDerWaalsContact O-CG 3.29Å; D285-K289 WeakPolarHBondContact O-CG 3.33Å; D285-K289 PolarHBondContact O-N 3.43Å
286	F	98.8	Very high	97.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-51.5	173.7	168.8	-100.7	0	0	0	110.1	V225 A228 H229 T232 R282 V283 V284 K288 K289 L290 Q374 L378	V225-F286 HydrophobicContact CG1-CE2 4.42Å; V225-F286 HydrophobicContact CG1-CZ 4.23Å; A228-F286 HydrophobicContact CB-CD2 3.83Å; A228-F286 HydrophobicContact CB-CE2 3.94Å; H229-F286 HydrophobicContact CB-CD2 4.38Å; H229-F286 HydrophobicContact CB-CE2 4.07Å; T232-F286 HydrophobicContact CG2-CB 4.28Å; R282-F286 WeakPolarHBondContact O-CB 3.49Å; R282-F286 PolarHBondContact O-N 3.34Å; V283-F286 WeakPolarHBondContact O-CB 3.42Å; V283-F286 PolarHBondContact O-N 3.32Å; V284-F286 VanDerWaalsContact C-N 3.27Å; V284-F286 PolarHBondContact O-N 3.16Å; F286-K288 VanDerWaalsContact C-N 3.34Å; F286-K288 PolarHBondContact O-N 3.03Å; F286-K289 WeakPolarHBondContact O-CB 3.34Å; F286-K289 PolarHBondContact O-N 3.26Å; F286-K289 VanDerWaalsContact O-N 3.09Å; F286-L290 HydrophobicContact CE1-CD1 4.08Å; F286-L290 HydrophobicContact CZ-CD1 4.09Å; F286-Q374 HydrophobicContact CD1-CB 4.46Å; F286-Q374 HydrophobicContact CE1-CB 3.63Å; F286-Q374 HydrophobicContact CZ-CB 3.67Å; F286-L378 HydrophobicContact CE1-CD2 4.41Å
287	A	98.8	Very high	98.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.1	-45.2	179.5	0	0	0	0	0	111.9	V283 V284 K289 L290 F293 L305 L378	V283-A287 PolarHBondContact O-N 3.04Å; V284-A287 PolarHBondContact O-N 3.22Å; A287-K289 PolarHBondContact O-N 3.45Å; A287-L290 WeakPolarHBondContact O-CB 3.38Å; A287-L290 PolarHBondContact O-N 2.79Å; A287-F293 HydrophobicContact CB-CD1 3.83Å; A287-F293 HydrophobicContact CB-CD2 4.27Å; A287-F293 HydrophobicContact CB-CE1 3.78Å; A287-F293 HydrophobicContact CB-CE2 4.22Å; A287-F293 HydrophobicContact CB-CG 4.07Å; A287-F293 HydrophobicContact CB-CZ 3.98Å; A287-F293 WeakPolarHBondContact O-CB 3.49Å; A287-F293 WeakPolarHBondContact O-CD1 3.31Å; A287-L305 HydrophobicContact CB-CD2 3.82Å; A287-L378 HydrophobicContact CB-CD1 3.93Å; A287-L378 HydrophobicContact CB-CD2 3.62Å; A287-L378 HydrophobicContact CB-CG 4.45Å
288	K	98.5	Very high	98.2	Very high	93 Å²	93	39.7 Å²	39.7	40%	0.404	21%	0.214	S	C	.	.	H	α-helix	trans	-63.5	-19.7	178.1	-73.5	178.6	177	178.7	0	114.5	V284 F286 L290 C294	V284-K288 HydrophobicContact CG1-CD 4.1Å; V284-K288 HydrophobicContact CG1-CG 4.48Å; V284-K288 WeakPolarHBondContact O-CG 3.46Å; V284-K288 PolarHBondContact O-N 3.22Å; F286-K288 VanDerWaalsContact C-N 3.34Å; F286-K288 PolarHBondContact O-N 3.03Å; K288-L290 VanDerWaalsContact C-N 3.3Å; K288-C294 PolarHBondContact O-SG 3.11Å
289	K	98.6	Very high	98.2	Very high	106 Å²	106	42.6 Å²	42.6	46%	0.461	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-7.3	175.3	-75.4	175.2	-177.4	-65	0	113	A228 A231 T232 D285 F286 A287	A228-K289 HydrophobicContact CB-CB 3.52Å; A228-K289 HydrophobicContact CB-CD 4.14Å; A228-K289 HydrophobicContact CB-CG 4.48Å; A231-K289 HydrophobicContact CB-CD 4.18Å; T232-K289 HydrophobicContact CG2-CD 4.17Å; D285-K289 VanDerWaalsContact O-CG 3.29Å; D285-K289 WeakPolarHBondContact O-CG 3.33Å; D285-K289 PolarHBondContact O-N 3.43Å; F286-K289 WeakPolarHBondContact O-CB 3.34Å; F286-K289 PolarHBondContact O-N 3.26Å; F286-K289 VanDerWaalsContact O-N 3.09Å; A287-K289 PolarHBondContact O-N 3.45Å
290	L	98.6	Very high	98.3	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	22%	0.217	C	C	.	.			trans	-95.9	115.2	175.8	-53.6	-173.8	0	0	0	109.6	V225 A228 F286 A287 K288 M292 F293 C294 A375 L378 F399	V225-L290 HydrophobicContact CB-CD2 4.33Å; V225-L290 HydrophobicContact CG2-CD2 3.86Å; A228-L290 HydrophobicContact CB-CD2 3.87Å; F286-L290 HydrophobicContact CE1-CD1 4.08Å; F286-L290 HydrophobicContact CZ-CD1 4.09Å; A287-L290 WeakPolarHBondContact O-CB 3.38Å; A287-L290 PolarHBondContact O-N 2.79Å; K288-L290 VanDerWaalsContact C-N 3.3Å; L290-M292 PolarHBondContact O-N 3.15Å; L290-F293 HydrophobicContact CB-CB 4.27Å; L290-F293 WeakPolarHBondContact O-CB 3.39Å; L290-F293 PolarHBondContact O-N 3.26Å; L290-C294 PolarHBondContact O-N 2.82Å; L290-A375 HydrophobicContact CD1-CB 4.2Å; L290-L378 HydrophobicContact CD1-CD2 3.88Å; L290-F399 HydrophobicContact CD1-CZ 4.31Å
291	P	97.7	Very high	98.3	Very high	73 Å²	73	43.7 Å²	43.7	47%	0.474	23%	0.226	S	C	.	.	H	α-helix	trans	-54.1	-42.5	-179	-27.5	35.1	0	0	0	112.9	F293 C294 E295	P291-F293 PolarHBondContact O-N 3.27Å; P291-C294 PolarHBondContact O-N 2.88Å; P291-E295 WeakPolarHBondContact O-CG 3.26Å; P291-E295 PolarHBondContact O-N 3.4Å
292	M	97.6	Very high	98.3	Very high	38 Å²	38	44.5 Å²	44.5	19%	0.187	23%	0.228	C	C	.	.	H	α-helix	trans	-54	-36.5	177.9	-57.2	-73	-106.6	0	0	112.9	L290 M379 Y395 F399	L290-M292 PolarHBondContact O-N 3.15Å; M292-M379 HydrophobicContact CB-CE 3.91Å; M292-Y395 HydrophobicContact CB-CD2 3.8Å; M292-Y395 HydrophobicContact CB-CE2 4.01Å; M292-Y395 HydrophobicContact CB-CG 4.06Å; M292-Y395 HydrophobicContact CE-CD1 3.03Å; M292-Y395 HydrophobicContact CE-CE1 3.47Å; M292-Y395 VanDerWaalsContact CE-CE1 3.47Å; M292-Y395 HydrophobicContact CE-CG 3.62Å; M292-Y395 HydrophobicContact CG-CG 4.47Å; M292-Y395 WeakPolarHBondContact O-CE2 3.49Å; M292-Y395 HydrophobicContact SD-CD1 3.61Å; M292-Y395 HydrophobicContact SD-CD2 4.44Å; M292-Y395 HydrophobicContact SD-CE1 3.45Å; M292-Y395 WeakPolarHBondContact SD-CE1 3.22Å; M292-Y395 HydrophobicContact SD-CE2 4.32Å; M292-Y395 HydrophobicContact SD-CG 4.09Å; M292-F399 HydrophobicContact CG-CZ 4.41Å
293	F	98.5	Very high	98.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-74.6	-43.5	177.7	176.4	-98.2	0	0	0	111.3	A287 L290 P291 E295 L296 Q301 L304 L305 L378 M379	A287-F293 HydrophobicContact CB-CD1 3.83Å; A287-F293 HydrophobicContact CB-CD2 4.27Å; A287-F293 HydrophobicContact CB-CE1 3.78Å; A287-F293 HydrophobicContact CB-CE2 4.22Å; A287-F293 HydrophobicContact CB-CG 4.07Å; A287-F293 HydrophobicContact CB-CZ 3.98Å; A287-F293 WeakPolarHBondContact O-CB 3.49Å; A287-F293 WeakPolarHBondContact O-CD1 3.31Å; L290-F293 HydrophobicContact CB-CB 4.27Å; L290-F293 WeakPolarHBondContact O-CB 3.39Å; L290-F293 PolarHBondContact O-N 3.26Å; P291-F293 PolarHBondContact O-N 3.27Å; F293-E295 PolarHBondContact O-N 3.03Å; F293-L296 WeakPolarHBondContact O-CB 3.44Å; F293-L296 PolarHBondContact O-N 2.68Å; F293-L296 VanDerWaalsContact O-N 3.11Å; F293-Q301 HydrophobicContact CD1-CG 4.25Å; F293-Q301 HydrophobicContact CD2-CG 4.35Å; F293-Q301 HydrophobicContact CE1-CB 4Å; F293-Q301 HydrophobicContact CE1-CG 3.78Å; F293-Q301 HydrophobicContact CE2-CB 3.9Å; F293-Q301 HydrophobicContact CE2-CG 3.9Å; F293-Q301 HydrophobicContact CZ-CB 3.43Å; F293-Q301 VanDerWaalsContact CZ-CB 3.43Å; F293-Q301 HydrophobicContact CZ-CG 3.59Å; F293-Q301 WeakPolarHBondContact O-CG 3.13Å; F293-Q301 PolarHBondContact O-NE2 2.98Å; F293-L304 HydrophobicContact CD2-CD1 4.36Å; F293-L304 HydrophobicContact CE2-CB 4.25Å; F293-L304 HydrophobicContact CE2-CD1 4.36Å; F293-L305 HydrophobicContact CE1-CD1 4.45Å; F293-L305 HydrophobicContact CE2-CG 4.25Å; F293-L305 HydrophobicContact CZ-CD1 3.77Å; F293-L305 HydrophobicContact CZ-CD2 4.29Å; F293-L305 HydrophobicContact CZ-CG 3.74Å; F293-L378 HydrophobicContact CD2-CD1 4.06Å; F293-L378 HydrophobicContact CD2-CD2 4.12Å; F293-L378 HydrophobicContact CD2-CG 4.23Å; F293-L378 HydrophobicContact CE2-CD1 3.96Å; F293-L378 HydrophobicContact CG-CD2 4.42Å; F293-M379 HydrophobicContact CB-CE 3.66Å; F293-M379 HydrophobicContact CD2-CE 4.47Å
294	C	98	Very high	98.3	Very high	63 Å²	63	43.4 Å²	43.4	43%	0.426	23%	0.226	S	C	.	.	H	α-helix	trans	-65.9	-21.4	179.6	-67.9	0	0	0	0	113.5	K288 L290 P291 L296	K288-C294 PolarHBondContact O-SG 3.11Å; L290-C294 PolarHBondContact O-N 2.82Å; P291-C294 PolarHBondContact O-N 2.88Å; C294-L296 VanDerWaalsContact C-N 3.31Å
295	E	97.6	Very high	98.3	Very high	106 Å²	106	44 Å²	44	50%	0.495	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-11.5	174.5	-72.6	172.1	-168.6	0	0	114.2	P291 F293 R391 Y395	P291-E295 WeakPolarHBondContact O-CG 3.26Å; P291-E295 PolarHBondContact O-N 3.4Å; F293-E295 PolarHBondContact O-N 3.03Å; E295-R391 PolarHBondContact O-NH1 3.47Å; E295-R391 PolarHBondContact O-NH2 3.48Å; E295-Y395 PolarHBondContact OE2-OH 2.79Å
296	L	98.3	Very high	98.3	Very high	7 Å²	7	44 Å²	44	4%	0.037	23%	0.226	C	C	.	.	S	Bend	trans	-81.1	154.2	178.3	-60.6	173.6	0	0	0	111.3	F293 C294 D300 Q301 L304 M379 C388 R391 I392 Y395	F293-L296 WeakPolarHBondContact O-CB 3.44Å; F293-L296 PolarHBondContact O-N 2.68Å; F293-L296 VanDerWaalsContact O-N 3.11Å; C294-L296 VanDerWaalsContact C-N 3.31Å; L296-D300 HydrophobicContact CB-CB 4.36Å; L296-Q301 HydrophobicContact CB-CG 4.12Å; L296-Q301 PolarHBondContact O-NE2 3.09Å; L296-L304 HydrophobicContact CD1-CD1 3.54Å; L296-M379 HydrophobicContact CD1-SD 4.27Å; L296-C388 HydrophobicContact CD2-CB 4.45Å; L296-R391 HydrophobicContact CD2-CG 4.44Å; L296-I392 HydrophobicContact CD1-CD1 4.33Å; L296-I392 HydrophobicContact CD1-CG1 3.86Å; L296-I392 HydrophobicContact CD2-CG1 3.79Å; L296-Y395 HydrophobicContact CD2-CD2 4.35Å; L296-Y395 HydrophobicContact CD2-CE2 4.01Å; L296-Y395 HydrophobicContact CG-CE2 4.47Å
297	P	98.2	Very high	98.2	Very high	43 Å²	43	44.9 Å²	44.9	28%	0.279	24%	0.235	S	C	.	.			trans	-57.4	152.8	171.6	-20.7	33.7	0	0	0	111.4	E299 D300 Q301 C388	P297-E299 PolarHBondContact O-N 3.34Å; P297-D300 PolarHBondContact O-N 3.36Å; P297-D300 VanDerWaalsContact O-N 3.15Å; P297-Q301 WeakPolarHBondContact O-CG 3.37Å; P297-Q301 PolarHBondContact O-N 3.02Å; P297-C388 VanDerWaalsContact CD-SG 3.52Å; P297-C388 VanDerWaalsContact CG-SG 3.52Å
298	C	98.1	Very high	98.1	Very high	44 Å²	44	44.9 Å²	44.9	30%	0.297	24%	0.235	S	C	.	.	H	α-helix	trans	-60.3	-36.2	-177.7	-172	0	0	0	0	111.8	Q301 I302	C298-Q301 WeakPolarHBondContact O-CB 3.49Å; C298-Q301 PolarHBondContact O-N 2.99Å; C298-I302 VanDerWaalsContact O-CG1 3.29Å; C298-I302 WeakPolarHBondContact O-CG1 3.48Å; C298-I302 PolarHBondContact O-N 2.9Å
299	E	97.9	Very high	98.1	Very high	109 Å²	109	40.6 Å²	40.6	51%	0.509	22%	0.217	S	C	.	.	H	α-helix	trans	-61.3	-46.6	177	-62.5	72.7	-160.3	0	0	111.5	P297 I302 I303	P297-E299 PolarHBondContact O-N 3.34Å; E299-I302 PolarHBondContact O-N 3.02Å; E299-I303 WeakPolarHBondContact O-CG1 3.41Å; E299-I303 PolarHBondContact O-N 3.34Å; E299-I303 VanDerWaalsContact O-N 3.09Å
300	D	98.5	Very high	98.1	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-66.1	-41.4	177.3	-72.3	-10.8	0	0	0	111	L296 P297 I302 I303 L304 L386 A387 C388 I392	L296-D300 HydrophobicContact CB-CB 4.36Å; P297-D300 PolarHBondContact O-N 3.36Å; P297-D300 VanDerWaalsContact O-N 3.15Å; D300-I302 VanDerWaalsContact C-N 3.3Å; D300-I302 PolarHBondContact O-N 3.49Å; D300-I303 PolarHBondContact O-N 2.91Å; D300-L304 WeakPolarHBondContact O-CB 3.29Å; D300-L304 VanDerWaalsContact O-CG 3.28Å; D300-L304 WeakPolarHBondContact O-CG 3.39Å; D300-L304 PolarHBondContact O-N 3.24Å; D300-L386 HydrophobicContact CB-CD2 3.99Å; D300-L386 WeakPolarHBondContact OD1-CA 3.45Å; D300-A387 PolarHBondContact OD1-N 2.91Å; D300-C388 VanDerWaalsContact OD2-CB 3.24Å; D300-C388 WeakPolarHBondContact OD2-CB 3.38Å; D300-C388 PolarHBondContact OD2-N 3.03Å; D300-C388 PolarHBondContact OD2-SG 3.08Å; D300-I392 HydrophobicContact CB-CD1 4.4Å
301	Q	98.6	Very high	98.1	Very high	39 Å²	39	36.2 Å²	36.2	18%	0.182	20%	0.198	C	C	.	.	H	α-helix	trans	-57.1	-43	175.8	-72.4	-177.1	36.2	0	0	112	F293 L296 P297 C298 L305	F293-Q301 HydrophobicContact CD1-CG 4.25Å; F293-Q301 HydrophobicContact CD2-CG 4.35Å; F293-Q301 HydrophobicContact CE1-CB 4Å; F293-Q301 HydrophobicContact CE1-CG 3.78Å; F293-Q301 HydrophobicContact CE2-CB 3.9Å; F293-Q301 HydrophobicContact CE2-CG 3.9Å; F293-Q301 HydrophobicContact CZ-CB 3.43Å; F293-Q301 VanDerWaalsContact CZ-CB 3.43Å; F293-Q301 HydrophobicContact CZ-CG 3.59Å; F293-Q301 WeakPolarHBondContact O-CG 3.13Å; F293-Q301 PolarHBondContact O-NE2 2.98Å; L296-Q301 HydrophobicContact CB-CG 4.12Å; L296-Q301 PolarHBondContact O-NE2 3.09Å; P297-Q301 WeakPolarHBondContact O-CG 3.37Å; P297-Q301 PolarHBondContact O-N 3.02Å; C298-Q301 WeakPolarHBondContact O-CB 3.49Å; C298-Q301 PolarHBondContact O-N 2.99Å; Q301-L305 WeakPolarHBondContact O-CB 3.49Å; Q301-L305 VanDerWaalsContact O-CG 3.29Å; Q301-L305 WeakPolarHBondContact O-CG 3.35Å; Q301-L305 PolarHBondContact O-N 3.35Å
302	I	98.1	Very high	98.1	Very high	63 Å²	63	32.7 Å²	32.7	32%	0.323	18%	0.175	S	C	.	.	H	α-helix	trans	-64.3	-47.7	177.5	-68.6	163.9	0	0	0	110.5	M32 C298 E299 D300 L304 L305 K306	M32-I302 HydrophobicContact CE-CD1 3.83Å; M32-I302 HydrophobicContact SD-CD1 4.5Å; C298-I302 VanDerWaalsContact O-CG1 3.29Å; C298-I302 WeakPolarHBondContact O-CG1 3.48Å; C298-I302 PolarHBondContact O-N 2.9Å; E299-I302 PolarHBondContact O-N 3.02Å; D300-I302 VanDerWaalsContact C-N 3.3Å; D300-I302 PolarHBondContact O-N 3.49Å; I302-L304 PolarHBondContact O-N 2.95Å; I302-L305 PolarHBondContact O-N 3.15Å; I302-K306 HydrophobicContact CG2-CG 4.38Å; I302-K306 WeakPolarHBondContact O-CG 3.28Å; I302-K306 PolarHBondContact O-N 3.4Å
303	I	98.3	Very high	98.2	Very high	44 Å²	44	31.9 Å²	31.9	23%	0.226	17%	0.171	C	C	.	.	H	α-helix	trans	-60.5	-45.8	-179.7	-68.3	167.8	0	0	0	111	E299 D300 K306 G307 R383 G385 L386	E299-I303 WeakPolarHBondContact O-CG1 3.41Å; E299-I303 PolarHBondContact O-N 3.34Å; E299-I303 VanDerWaalsContact O-N 3.09Å; D300-I303 PolarHBondContact O-N 2.91Å; I303-K306 PolarHBondContact O-N 3.21Å; I303-G307 PolarHBondContact O-N 3.13Å; I303-R383 HydrophobicContact CG2-CB 3.62Å; I303-R383 HydrophobicContact CG2-CG 4.48Å; I303-G385 WeakPolarHBondContact CD1-O 3.46Å; I303-L386 HydrophobicContact CB-CD2 3.92Å; I303-L386 HydrophobicContact CD1-CD2 4.43Å; I303-L386 HydrophobicContact CG2-CD2 3.68Å; I303-L386 HydrophobicContact CG2-CG 4Å
304	L	98.6	Very high	98.2	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-62.5	-44.6	178	-68	178.1	0	0	0	111.4	F293 L296 D300 I302 G307 C308 L378 M379 S380 R383 L386 I392	F293-L304 HydrophobicContact CD2-CD1 4.36Å; F293-L304 HydrophobicContact CE2-CB 4.25Å; F293-L304 HydrophobicContact CE2-CD1 4.36Å; L296-L304 HydrophobicContact CD1-CD1 3.54Å; D300-L304 WeakPolarHBondContact O-CB 3.29Å; D300-L304 VanDerWaalsContact O-CG 3.28Å; D300-L304 WeakPolarHBondContact O-CG 3.39Å; D300-L304 PolarHBondContact O-N 3.24Å; I302-L304 PolarHBondContact O-N 2.95Å; L304-G307 PolarHBondContact O-N 3.49Å; L304-C308 WeakPolarHBondContact O-CB 3.32Å; L304-C308 PolarHBondContact O-N 2.88Å; L304-C308 PolarHBondContact O-SG 3.25Å; L304-L378 HydrophobicContact CB-CD1 4.43Å; L304-L378 WeakPolarHBondContact CD2-O 3.34Å; L304-M379 HydrophobicContact CD1-SD 4.27Å; L304-S380 VanDerWaalsContact CD2-O 3.29Å; L304-S380 WeakPolarHBondContact CD2-O 3.42Å; L304-R383 HydrophobicContact CD2-CG 4.24Å; L304-L386 HydrophobicContact CD2-CD1 4.13Å; L304-L386 HydrophobicContact CD2-CD2 4.03Å; L304-L386 HydrophobicContact CG-CD2 4.09Å; L304-I392 HydrophobicContact CD1-CD1 4.14Å; L304-I392 HydrophobicContact CD1-CG1 4.43Å; L304-I392 HydrophobicContact CD1-CG2 4.47Å; L304-I392 HydrophobicContact CD2-CD1 4.45Å; L304-I392 HydrophobicContact CD2-CG2 4.3Å
305	L	98.5	Very high	98.2	Very high	26 Å²	26	28.9 Å²	28.9	14%	0.136	15%	0.151	C	C	.	.	H	α-helix	trans	-63.1	-47.8	177.4	-77	171.2	0	0	0	112.3	V284 A287 F293 Q301 I302 G307 C308 C309 L378	V284-L305 HydrophobicContact CG1-CD1 4.34Å; V284-L305 HydrophobicContact CG2-CD1 4.28Å; V284-L305 HydrophobicContact CG2-CD2 4.2Å; A287-L305 HydrophobicContact CB-CD2 3.82Å; F293-L305 HydrophobicContact CE1-CD1 4.45Å; F293-L305 HydrophobicContact CE2-CG 4.25Å; F293-L305 HydrophobicContact CZ-CD1 3.77Å; F293-L305 HydrophobicContact CZ-CD2 4.29Å; F293-L305 HydrophobicContact CZ-CG 3.74Å; Q301-L305 WeakPolarHBondContact O-CB 3.49Å; Q301-L305 VanDerWaalsContact O-CG 3.29Å; Q301-L305 WeakPolarHBondContact O-CG 3.35Å; Q301-L305 PolarHBondContact O-N 3.35Å; I302-L305 PolarHBondContact O-N 3.15Å; L305-G307 PolarHBondContact O-N 3.04Å; L305-C308 PolarHBondContact O-N 2.86Å; L305-C309 WeakPolarHBondContact O-CB 3.3Å; L305-C309 PolarHBondContact O-N 3.04Å; L305-L378 HydrophobicContact CD2-CD1 4.36Å
306	K	97.5	Very high	98.2	Very high	66 Å²	66	24.7 Å²	24.7	29%	0.287	13%	0.131	S	C	.	.	H	α-helix	trans	-56.1	-42.1	175.1	-73.6	-157.2	178	-159.8	0	111	I302 I303 E457 V458 E460 D461	I302-K306 HydrophobicContact CG2-CG 4.38Å; I302-K306 WeakPolarHBondContact O-CG 3.28Å; I302-K306 PolarHBondContact O-N 3.4Å; I303-K306 PolarHBondContact O-N 3.21Å; K306-E457 WeakPolarHBondContact CE-O 3.41Å; K306-E457 PolarHBondContact NZ-O 3.25Å; K306-V458 WeakPolarHBondContact CG-O 3.31Å; K306-E460 PolarHBondContact NZ-O 3.43Å; K306-D461 PolarHBondContact NZ-OXT 3.38Å
307	G	96.9	Very high	98.2	Very high	18 Å²	18	24.7 Å²	24.7	19%	0.186	13%	0.132	C	C	.	.	H	α-helix	trans	-69.9	-42.8	-179	0	0	0	0	0	114.9	I303 L304 L305 R383	I303-G307 PolarHBondContact O-N 3.13Å; L304-G307 PolarHBondContact O-N 3.49Å; L305-G307 PolarHBondContact O-N 3.04Å; G307-R383 VanDerWaalsContact C-CZ 3.5Å; G307-R383 VanDerWaalsContact C-NH1 3.29Å; G307-R383 VanDerWaalsContact CA-NH1 3.31Å; G307-R383 PolarHBondContact O-NH1 3.1Å; G307-R383 PolarHBondContact O-NH2 3.02Å
308	C	98.1	Very high	98.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-94.2	-14.9	-171.1	79.3	0	0	0	0	113.9	L304 L305 M310 E311 I312 L378	L304-C308 WeakPolarHBondContact O-CB 3.32Å; L304-C308 PolarHBondContact O-N 2.88Å; L304-C308 PolarHBondContact O-SG 3.25Å; L305-C308 PolarHBondContact O-N 2.86Å; C308-M310 PolarHBondContact O-N 3.47Å; C308-E311 WeakPolarHBondContact O-CB 3.41Å; C308-E311 PolarHBondContact O-N 3.1Å; C308-E311 VanDerWaalsContact O-N 3.11Å; C308-I312 HydrophobicContact CB-CD1 4.2Å; C308-I312 PolarHBondContact O-N 2.82Å; C308-L378 VanDerWaalsContact SG-CD1 3.51Å
309	C	98.3	Very high	98.2	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.02	12%	0.118	C	C	.	.	H	α-helix	trans	-57.9	-50.5	-167.2	-170.7	0	0	0	0	112.7	L305 E311 I312 M313 V458 F459	L305-C309 WeakPolarHBondContact O-CB 3.3Å; L305-C309 PolarHBondContact O-N 3.04Å; C309-E311 VanDerWaalsContact C-N 3.33Å; C309-E311 PolarHBondContact O-N 2.66Å; C309-I312 PolarHBondContact O-N 2.99Å; C309-M313 WeakPolarHBondContact O-CB 3.31Å; C309-M313 WeakPolarHBondContact O-CG 3.46Å; C309-M313 PolarHBondContact O-N 3.28Å; C309-V458 HydrophobicContact CB-CG1 3.73Å; C309-F459 HydrophobicContact CB-CE1 4.17Å; C309-F459 HydrophobicContact CB-CZ 4.03Å
310	M	97.8	Very high	98.1	Very high	15 Å²	15	18.1 Å²	18.1	7%	0.074	10%	0.096	C	C	.	.	H	α-helix	trans	-64	-40.9	177.7	-172.8	65.2	-166.7	0	0	111.6	C308 I312 M313 S314 L346 V349 I353 H435 F459	C308-M310 PolarHBondContact O-N 3.47Å; M310-I312 PolarHBondContact O-N 3.33Å; M310-M313 PolarHBondContact O-N 3.48Å; M310-M313 HydrophobicContact SD-CE 4.26Å; M310-S314 WeakPolarHBondContact CE-OG 3.45Å; M310-S314 VanDerWaalsContact O-CB 3.32Å; M310-S314 WeakPolarHBondContact O-CB 3.44Å; M310-S314 PolarHBondContact O-N 3.15Å; M310-S314 PolarHBondContact O-OG 2.91Å; M310-S314 VanDerWaalsContact O-OG 3.08Å; M310-L346 HydrophobicContact CE-CD1 4.37Å; M310-L346 HydrophobicContact CE-CD2 4.45Å; M310-V349 HydrophobicContact CE-CG1 4.05Å; M310-I353 HydrophobicContact CE-CD1 3.86Å; M310-H435 HydrophobicContact CB-CB 4.49Å; M310-H435 HydrophobicContact CE-CB 4.45Å; M310-H435 HydrophobicContact CG-CB 3.67Å; M310-H435 HydrophobicContact SD-CB 4.32Å; M310-H435 VanDerWaalsContact SD-CD2 3.57Å; M310-F459 HydrophobicContact CB-CE1 3.88Å; M310-F459 HydrophobicContact CB-CZ 4.21Å
311	E	98.6	Very high	98.1	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-60.3	-47.6	-179.3	-51.5	176.2	176.2	0	0	110.5	C308 C309 S314 L315 L377 R383 L428 R429	C308-E311 WeakPolarHBondContact O-CB 3.41Å; C308-E311 PolarHBondContact O-N 3.1Å; C308-E311 VanDerWaalsContact O-N 3.11Å; C309-E311 VanDerWaalsContact C-N 3.33Å; C309-E311 PolarHBondContact O-N 2.66Å; E311-S314 PolarHBondContact O-N 3.27Å; E311-L315 WeakPolarHBondContact O-CB 3.27Å; E311-L315 PolarHBondContact O-N 3.14Å; E311-L377 HydrophobicContact CB-CD1 4.41Å; E311-L377 HydrophobicContact CB-CD2 4.29Å; E311-L377 WeakPolarHBondContact OE2-CD2 3.45Å; E311-R383 IonicContact OE1-CZ 3.96Å; E311-R383 IonicContact OE1-NH1 2.84Å; E311-R383 PolarHBondContact OE1-NH1 2.77Å; E311-R383 VanDerWaalsContact OE1-NH1 3.15Å; E311-R383 IonicContact OE1-NH2 3.62Å; E311-R383 PolarHBondContact OE1-NH2 3.33Å; E311-R383 IonicContact OE2-NH2 3.25Å; E311-R383 PolarHBondContact OE2-NH2 2.78Å; E311-L428 HydrophobicContact CB-CB 4.43Å; E311-L428 WeakPolarHBondContact O-CD2 3.36Å; E311-R429 IonicContact OE1-CZ 3.72Å; E311-R429 IonicContact OE1-NH1 2.88Å; E311-R429 PolarHBondContact OE1-NH1 3.17Å
312	I	98.7	Very high	98	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66.8	-41.8	177.5	-69.7	177.3	0	0	0	111.6	V283 C308 C309 M310 L315 R316 Q374 L377 L378	V283-I312 HydrophobicContact CB-CG2 4.44Å; V283-I312 HydrophobicContact CG1-CB 4.17Å; V283-I312 HydrophobicContact CG1-CD1 3.92Å; V283-I312 HydrophobicContact CG1-CG2 4.03Å; V283-I312 HydrophobicContact CG2-CB 4.27Å; V283-I312 HydrophobicContact CG2-CG2 3.67Å; C308-I312 HydrophobicContact CB-CD1 4.2Å; C308-I312 PolarHBondContact O-N 2.82Å; C309-I312 PolarHBondContact O-N 2.99Å; M310-I312 PolarHBondContact O-N 3.33Å; I312-L315 PolarHBondContact O-N 3.3Å; I312-R316 HydrophobicContact CG2-CG 4.41Å; I312-R316 WeakPolarHBondContact O-CB 3.42Å; I312-R316 VanDerWaalsContact O-CG 3.31Å; I312-R316 WeakPolarHBondContact O-CG 3.37Å; I312-R316 PolarHBondContact O-N 3.46Å; I312-Q374 HydrophobicContact CD1-CB 4.22Å; I312-Q374 HydrophobicContact CG1-CB 4.25Å; I312-Q374 HydrophobicContact CG1-CG 4.22Å; I312-Q374 HydrophobicContact CG2-CG 3.97Å; I312-L377 HydrophobicContact CG1-CB 4.36Å; I312-L377 HydrophobicContact CG1-CD1 4.49Å; I312-L378 HydrophobicContact CD1-CB 4.34Å
313	M	98.3	Very high	98	Very high	20 Å²	20	18.3 Å²	18.3	10%	0.099	10%	0.101	C	C	.	.	H	α-helix	trans	-63.8	-41.8	177.1	-73.8	-167.1	-63.1	0	0	111.9	I276 A279 I280 V283 C309 M310 R316 A317 F459	I276-M313 HydrophobicContact CD1-CE 3.93Å; I276-M313 HydrophobicContact CD1-SD 3.87Å; A279-M313 HydrophobicContact CB-CG 4.4Å; A279-M313 HydrophobicContact CB-SD 3.62Å; I280-M313 HydrophobicContact CG1-CE 4.07Å; I280-M313 HydrophobicContact CG1-SD 3.99Å; V283-M313 HydrophobicContact CG2-CG 3.87Å; C309-M313 WeakPolarHBondContact O-CB 3.31Å; C309-M313 WeakPolarHBondContact O-CG 3.46Å; C309-M313 PolarHBondContact O-N 3.28Å; M310-M313 PolarHBondContact O-N 3.48Å; M310-M313 HydrophobicContact SD-CE 4.26Å; M313-R316 PolarHBondContact O-N 3.29Å; M313-A317 WeakPolarHBondContact O-CB 3.41Å; M313-A317 PolarHBondContact O-N 3.42Å; M313-F459 HydrophobicContact CE-CE2 4.08Å; M313-F459 HydrophobicContact CE-CZ 3.68Å
314	S	98.5	Very high	97.9	Very high	1 Å²	1	24 Å²	24	1%	0.007	13%	0.127	C	C	.	.	H	α-helix	trans	-62.8	-44	174.8	-70.3	0	0	0	0	112.1	M310 E311 A317 A318 I353 I431	M310-S314 WeakPolarHBondContact CE-OG 3.45Å; M310-S314 VanDerWaalsContact O-CB 3.32Å; M310-S314 WeakPolarHBondContact O-CB 3.44Å; M310-S314 PolarHBondContact O-N 3.15Å; M310-S314 PolarHBondContact O-OG 2.91Å; M310-S314 VanDerWaalsContact O-OG 3.08Å; E311-S314 PolarHBondContact O-N 3.27Å; S314-A317 PolarHBondContact O-N 2.89Å; S314-A318 VanDerWaalsContact O-CB 3.23Å; S314-A318 WeakPolarHBondContact O-CB 3.28Å; S314-A318 PolarHBondContact O-N 2.89Å; S314-I353 WeakPolarHBondContact OG-CD1 3.43Å; S314-I431 VanDerWaalsContact OG-CG2 3.27Å; S314-I431 WeakPolarHBondContact OG-CG2 3.49Å
315	L	98.7	Very high	97.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.6	-50.1	173.7	173.4	59	0	0	0	111.2	E311 I312 A317 A318 V319 L360 V370 L373 Q374 L377 L428	E311-L315 WeakPolarHBondContact O-CB 3.27Å; E311-L315 PolarHBondContact O-N 3.14Å; I312-L315 PolarHBondContact O-N 3.3Å; L315-A317 VanDerWaalsContact C-N 3.26Å; L315-A317 PolarHBondContact O-N 3.11Å; L315-A318 PolarHBondContact O-N 3.35Å; L315-A318 VanDerWaalsContact O-N 3.17Å; L315-V319 HydrophobicContact CD1-CG1 3.87Å; L315-V319 WeakPolarHBondContact O-CG1 3.27Å; L315-V319 WeakPolarHBondContact O-CG2 3.36Å; L315-V319 PolarHBondContact O-N 3.46Å; L315-L360 HydrophobicContact CD1-CD1 3.83Å; L315-V370 HydrophobicContact CD2-CG1 4.44Å; L315-V370 HydrophobicContact CG-CG1 4.42Å; L315-L373 HydrophobicContact CD1-CD2 3.63Å; L315-L373 HydrophobicContact CD2-CB 3.99Å; L315-L373 HydrophobicContact CD2-CD2 3.65Å; L315-L373 HydrophobicContact CD2-CG 3.77Å; L315-L373 HydrophobicContact CG-CD2 4.3Å; L315-Q374 HydrophobicContact CD2-CG 3.76Å; L315-L377 HydrophobicContact CD2-CD1 4.17Å; L315-L428 HydrophobicContact CB-CD1 4.01Å; L315-L428 HydrophobicContact CB-CD2 3.96Å; L315-L428 HydrophobicContact CD1-CD1 4.2Å; L315-L428 HydrophobicContact CD2-CD1 4.35Å; L315-L428 HydrophobicContact CG-CD1 4.41Å
316	R	98	Very high	97.7	Very high	17 Å²	17	31 Å²	31	6%	0.064	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-32.5	178.9	-75.6	177.9	177.3	-161.1	-5.5	112.9	T232 R282 I312 M313 V319 R320 Q374	T232-R316 PolarHBondContact O-NH1 2.9Å; T232-R316 PolarHBondContact OG1-NH2 2.82Å; R282-R316 PolarHBondContact O-NH1 3.12Å; I312-R316 HydrophobicContact CG2-CG 4.41Å; I312-R316 WeakPolarHBondContact O-CB 3.42Å; I312-R316 VanDerWaalsContact O-CG 3.31Å; I312-R316 WeakPolarHBondContact O-CG 3.37Å; I312-R316 PolarHBondContact O-N 3.46Å; M313-R316 PolarHBondContact O-N 3.29Å; R316-V319 WeakPolarHBondContact O-CG2 3.42Å; R316-R320 WeakPolarHBondContact O-CG 3.46Å; R316-R320 PolarHBondContact O-NH1 3.47Å; R316-Q374 VanDerWaalsContact CZ-OE1 3.23Å
317	A	97.9	Very high	97.8	Very high	8 Å²	8	28 Å²	28	7%	0.066	15%	0.151	C	C	.	.	H	α-helix	trans	-73.2	-47.7	173	0	0	0	0	0	111	M313 S314 L315 V319 R320 Y321 L328 L330 I353	M313-A317 WeakPolarHBondContact O-CB 3.41Å; M313-A317 PolarHBondContact O-N 3.42Å; S314-A317 PolarHBondContact O-N 2.89Å; L315-A317 VanDerWaalsContact C-N 3.26Å; L315-A317 PolarHBondContact O-N 3.11Å; A317-V319 PolarHBondContact O-N 3.48Å; A317-R320 CarbonylContact O-C 3.43Å; A317-R320 WeakPolarHBondContact O-CA 3.47Å; A317-R320 WeakPolarHBondContact O-CB 3.32Å; A317-R320 PolarHBondContact O-N 2.94Å; A317-Y321 PolarHBondContact O-N 3.37Å; A317-L328 WeakPolarHBondContact O-CD2 3.35Å; A317-L330 HydrophobicContact CB-CD2 3.83Å; A317-I353 HydrophobicContact CB-CG2 4.26Å
318	A	98.3	Very high	97.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-61.2	-40.1	-176.8	0	0	0	0	0	113.2	S314 L315 R320 Y321 L356 G357 L360	S314-A318 VanDerWaalsContact O-CB 3.23Å; S314-A318 WeakPolarHBondContact O-CB 3.28Å; S314-A318 PolarHBondContact O-N 2.89Å; L315-A318 PolarHBondContact O-N 3.35Å; L315-A318 VanDerWaalsContact O-N 3.17Å; A318-R320 PolarHBondContact O-N 3.43Å; A318-Y321 WeakPolarHBondContact O-CB 3.39Å; A318-Y321 PolarHBondContact O-N 3.02Å; A318-L356 HydrophobicContact CB-CB 4.28Å; A318-L356 HydrophobicContact CB-CD2 3.85Å; A318-L356 HydrophobicContact CB-CG 3.85Å; A318-G357 WeakPolarHBondContact O-CA 3.38Å; A318-L360 HydrophobicContact CB-CD1 4.03Å
319	V	97.5	Very high	97.8	Very high	47 Å²	47	27.2 Å²	27.2	29%	0.285	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-12.7	174.7	-58.9	0	0	0	0	113.2	L315 R316 A317 L360 V370	L315-V319 HydrophobicContact CD1-CG1 3.87Å; L315-V319 WeakPolarHBondContact O-CG1 3.27Å; L315-V319 WeakPolarHBondContact O-CG2 3.36Å; L315-V319 PolarHBondContact O-N 3.46Å; R316-V319 WeakPolarHBondContact O-CG2 3.42Å; A317-V319 PolarHBondContact O-N 3.48Å; V319-L360 HydrophobicContact CG1-CD1 4.08Å; V319-V370 HydrophobicContact CB-CG2 4.49Å; V319-V370 HydrophobicContact CG1-CG1 4.36Å; V319-V370 HydrophobicContact CG1-CG2 3.83Å; V319-V370 HydrophobicContact CG2-CG1 4.43Å
320	R	97.1	Very high	97.7	Very high	9 Å²	9	28.2 Å²	28.2	3%	0.034	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	25.9	170.6	-60.9	-174.3	-177.6	93.9	-7.5	112.3	N233 A234 W239 R316 A317 A318 T329	N233-R320 PolarHBondContact OD1-NH2 2.86Å; A234-R320 PolarHBondContact O-NH2 3.32Å; W239-R320 HydrophobicContact CD2-CB 4.02Å; W239-R320 HydrophobicContact CD2-CG 3.91Å; W239-R320 HydrophobicContact CE3-CB 4.11Å; W239-R320 HydrophobicContact CE3-CG 4.45Å; W239-R320 HydrophobicContact CG-CG 4.02Å; W239-R320 HydrophobicContact CH2-CB 4.22Å; W239-R320 WeakPolarHBondContact CH2-O 3.24Å; W239-R320 HydrophobicContact CZ2-CB 4.13Å; W239-R320 HydrophobicContact CZ2-CG 4.5Å; W239-R320 HydrophobicContact CZ3-CB 4.22Å; W239-R320 WeakPolarHBondContact CZ3-O 3.1Å; R316-R320 WeakPolarHBondContact O-CG 3.46Å; R316-R320 PolarHBondContact O-NH1 3.47Å; A317-R320 CarbonylContact O-C 3.43Å; A317-R320 WeakPolarHBondContact O-CA 3.47Å; A317-R320 WeakPolarHBondContact O-CB 3.32Å; A317-R320 PolarHBondContact O-N 2.94Å; A318-R320 PolarHBondContact O-N 3.43Å; R320-T329 WeakPolarHBondContact CD-O 3.38Å; R320-T329 PolarHBondContact O-N 2.89Å
321	Y	97.9	Very high	97.6	Very high	26 Å²	26	28.4 Å²	28.4	10%	0.102	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	132.9	166.5	178.6	-108.4	0	0	0	110	A317 A318 P323 T327 L328 F354 M358	A317-Y321 PolarHBondContact O-N 3.37Å; A318-Y321 WeakPolarHBondContact O-CB 3.39Å; A318-Y321 PolarHBondContact O-N 3.02Å; Y321-P323 HydrophobicContact CD1-CG 4.12Å; Y321-P323 HydrophobicContact CE1-CB 4.19Å; Y321-P323 HydrophobicContact CE1-CG 3.89Å; Y321-T327 WeakPolarHBondContact CA-O 3.48Å; Y321-T327 WeakPolarHBondContact CD2-O 3.42Å; Y321-L328 HydrophobicContact CD2-CD2 3.91Å; Y321-L328 HydrophobicContact CD2-CG 4.47Å; Y321-L328 HydrophobicContact CG-CD2 4.27Å; Y321-F354 HydrophobicContact CD2-CD1 4.27Å; Y321-F354 HydrophobicContact CE2-CD1 4.05Å; Y321-F354 HydrophobicContact CE2-CE1 4.4Å; Y321-M358 HydrophobicContact CD1-CG 4.34Å; Y321-M358 HydrophobicContact CE1-CB 4.27Å; Y321-M358 HydrophobicContact CE1-CG 3.6Å; Y321-M358 HydrophobicContact CE2-CG 4.13Å; Y321-M358 VanDerWaalsContact CZ-CG 3.48Å; Y321-M358 WeakPolarHBondContact OH-CG 3.34Å
322	D	97.2	Very high	97.2	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.037	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	107.7	176.4	-178.7	32.3	0	0	0	110.6	W239 K240 R243 E324 S325 E326 T327	W239-D322 HydrophobicContact CH2-CB 4.13Å; K240-D322 IonicContact NZ-OD1 2.78Å; K240-D322 PolarHBondContact NZ-OD1 2.8Å; K240-D322 IonicContact NZ-OD2 3.65Å; R243-D322 IonicContact CZ-OD2 3.27Å; R243-D322 VanDerWaalsContact CZ-OD2 3.27Å; R243-D322 IonicContact NH1-OD2 3Å; R243-D322 PolarHBondContact NH1-OD2 3.18Å; R243-D322 IonicContact NH2-OD2 2.68Å; R243-D322 PolarHBondContact NH2-OD2 3.12Å; D322-E324 PolarHBondContact O-N 2.96Å; D322-S325 PolarHBondContact O-N 2.92Å; D322-S325 PolarHBondContact OD2-OG 3.34Å; D322-E326 WeakPolarHBondContact O-CA 3.24Å; D322-E326 PolarHBondContact O-N 3.12Å; D322-T327 PolarHBondContact N-O 3.13Å; D322-T327 PolarHBondContact O-N 3.37Å
323	P	96.8	Very high	97	Very high	74 Å²	74	32.1 Å²	32.1	48%	0.481	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.2	-179.2	-24.3	33.5	0	0	0	114.4	Y321	Y321-P323 HydrophobicContact CD1-CG 4.12Å; Y321-P323 HydrophobicContact CE1-CB 4.19Å; Y321-P323 HydrophobicContact CE1-CG 3.89Å
324	E	96.5	Very high	96.9	Very high	163 Å²	163	32.4 Å²	32.4	76%	0.762	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-35.8	-178.2	-67.5	173.8	168.8	0	0	112.9	K240 D322	K240-E324 IonicContact NZ-OE2 2.75Å; K240-E324 PolarHBondContact NZ-OE2 2.9Å; D322-E324 PolarHBondContact O-N 2.96Å
325	S	96.7	Very high	96.9	Very high	40 Å²	40	32.3 Å²	32.3	28%	0.28	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-2.9	-179.1	56.5	0	0	0	0	113.2	R243 D322 T327	R243-S325 PolarHBondContact NH1-OG 3.16Å; D322-S325 PolarHBondContact O-N 2.92Å; D322-S325 PolarHBondContact OD2-OG 3.34Å; S325-T327 WeakPolarHBondContact O-CG2 3.15Å; S325-T327 PolarHBondContact O-N 3.2Å; S325-T327 PolarHBondContact OG-OG1 3.44Å
326	E	97.4	Very high	96.9	Very high	136 Å²	136	32.3 Å²	32.3	64%	0.636	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	38.9	-174.6	-57.7	-174.1	167.8	0	0	113.2	D322 F354	D322-E326 WeakPolarHBondContact O-CA 3.24Å; D322-E326 PolarHBondContact O-N 3.12Å; E326-F354 WeakPolarHBondContact O-CE1 3.49Å
327	T	98.2	Very high	96.9	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	152.2	-178.6	59.2	0	0	0	0	113	R243 F245 Y321 D322 S325 V336 T337	R243-T327 PolarHBondContact NH1-OG1 2.96Å; F245-T327 HydrophobicContact CD1-CG2 4.2Å; F245-T327 HydrophobicContact CE1-CG2 3.84Å; Y321-T327 WeakPolarHBondContact CA-O 3.48Å; Y321-T327 WeakPolarHBondContact CD2-O 3.42Å; D322-T327 PolarHBondContact N-O 3.13Å; D322-T327 PolarHBondContact O-N 3.37Å; S325-T327 WeakPolarHBondContact O-CG2 3.15Å; S325-T327 PolarHBondContact O-N 3.2Å; S325-T327 PolarHBondContact OG-OG1 3.44Å; T327-V336 VanDerWaalsContact CA-O 3.25Å; T327-V336 WeakPolarHBondContact CA-O 3.48Å; T327-V336 VanDerWaalsContact CB-O 3.23Å; T327-V336 WeakPolarHBondContact CB-O 3.43Å; T327-T337 HydrophobicContact CG2-CG2 4.19Å
328	L	98.1	Very high	96.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	140.8	162.5	-66.5	174.3	0	0	0	109.1	A317 Y321 L330 A335 V336 L341 I353 F354	A317-L328 WeakPolarHBondContact O-CD2 3.35Å; Y321-L328 HydrophobicContact CD2-CD2 3.91Å; Y321-L328 HydrophobicContact CD2-CG 4.47Å; Y321-L328 HydrophobicContact CG-CD2 4.27Å; L328-L330 HydrophobicContact CB-CD2 4.39Å; L328-A335 CarbonylContact O-C 3.34Å; L328-A335 WeakPolarHBondContact O-CA 3.42Å; L328-V336 HydrophobicContact CB-CG2 4.35Å; L328-V336 PolarHBondContact N-O 2.96Å; L328-V336 PolarHBondContact O-N 3.17Å; L328-L341 HydrophobicContact CD1-CD2 4.13Å; L328-I353 HydrophobicContact CD1-CB 4.26Å; L328-I353 HydrophobicContact CD1-CG2 3.53Å; L328-F354 HydrophobicContact CB-CE1 4.46Å; L328-F354 HydrophobicContact CB-CE2 4.41Å; L328-F354 HydrophobicContact CB-CZ 4.05Å; L328-F354 HydrophobicContact CD1-CD1 4.29Å; L328-F354 HydrophobicContact CD1-CD2 3.46Å; L328-F354 VanDerWaalsContact CD1-CD2 3.46Å; L328-F354 HydrophobicContact CD1-CE1 4.23Å; L328-F354 HydrophobicContact CD1-CE2 3.37Å; L328-F354 HydrophobicContact CD1-CG 3.92Å; L328-F354 HydrophobicContact CD1-CZ 3.78Å; L328-F354 HydrophobicContact CG-CD1 4.03Å; L328-F354 HydrophobicContact CG-CD2 4.07Å; L328-F354 HydrophobicContact CG-CE1 3.75Å; L328-F354 HydrophobicContact CG-CE2 3.79Å; L328-F354 HydrophobicContact CG-CG 4.17Å; L328-F354 HydrophobicContact CG-CZ 3.61Å
329	T	97.7	Very high	96.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	103.1	170.3	-56.2	0	0	0	0	111	W239 R243 R320 G332 M334	W239-T329 HydrophobicContact CE3-CG2 4.07Å; W239-T329 VanDerWaalsContact CE3-OG1 3.3Å; W239-T329 WeakPolarHBondContact CZ3-OG1 3.45Å; R243-T329 HydrophobicContact CB-CG2 3.64Å; R243-T329 WeakPolarHBondContact CD-OG1 3.46Å; R320-T329 WeakPolarHBondContact CD-O 3.38Å; R320-T329 PolarHBondContact O-N 2.89Å; T329-G332 VanDerWaalsContact CG2-C 3.47Å; T329-M334 CarbonylContact C-O 3.5Å; T329-M334 WeakPolarHBondContact CA-O 3.47Å
330	L	96.9	Very high	96.7	Very high	25 Å²	25	36.9 Å²	36.9	13%	0.131	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	140.5	177.6	-51.8	-175.8	0	0	0	110.7	F272 I275 A317 L328 G332 E333 M334 V336 L341	F272-L330 HydrophobicContact CD1-CD1 4.23Å; F272-L330 HydrophobicContact CE1-CD1 4.26Å; I275-L330 HydrophobicContact CD1-CB 3.5Å; I275-L330 VanDerWaalsContact CD1-CB 3.5Å; I275-L330 HydrophobicContact CD1-CD1 4.02Å; I275-L330 HydrophobicContact CD1-CG 4.43Å; A317-L330 HydrophobicContact CB-CD2 3.83Å; L328-L330 HydrophobicContact CB-CD2 4.39Å; L330-G332 PolarHBondContact O-N 2.99Å; L330-E333 PolarHBondContact O-N 2.87Å; L330-M334 PolarHBondContact N-O 3.25Å; L330-M334 PolarHBondContact O-N 2.68Å; L330-V336 HydrophobicContact CD1-CG1 4.19Å; L330-V336 HydrophobicContact CD1-CG2 3.92Å; L330-V336 HydrophobicContact CD2-CG2 4.41Å; L330-V336 HydrophobicContact CG-CG2 3.9Å; L330-L341 HydrophobicContact CD1-CD1 3.9Å
331	N	94.1	Very high	96.7	Very high	18 Å²	18	36.6 Å²	36.6	10%	0.096	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	22	178.8	-159.4	42.2	0	0	0	114.5	A234 I275 R282 E333	A234-N331 WeakPolarHBondContact CB-O 3.42Å; I275-N331 HydrophobicContact CB-CB 3.98Å; I275-N331 HydrophobicContact CD1-CB 4.26Å; R282-N331 PolarHBondContact NH1-OD1 3.45Å; N331-E333 HydrophobicContact CB-CG 4.37Å; N331-E333 PolarHBondContact ND2-OE1 3.4Å; N331-E333 PolarHBondContact O-N 3.49Å
332	G	91.8	Very high	96.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	3.2	-175.9	0	0	0	0	0	115.6	Q235 T329 L330	Q235-G332 VanDerWaalsContact CG-O 3.28Å; Q235-G332 WeakPolarHBondContact CG-O 3.38Å; T329-G332 VanDerWaalsContact CG2-C 3.47Å; L330-G332 PolarHBondContact O-N 2.99Å
333	E	93	Very high	96.5	Very high	79 Å²	79	40.5 Å²	40.5	37%	0.369	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.9	-27.4	-170.4	70.5	-169.2	157.2	0	0	115.2	R243 K244 I275 L330 N331	R243-E333 CarbonylContact C-O 3.42Å; R243-E333 WeakPolarHBondContact CA-O 3.33Å; K244-E333 PolarHBondContact N-O 3.4Å; I275-E333 WeakPolarHBondContact CG2-OE1 3.4Å; L330-E333 PolarHBondContact O-N 2.87Å; N331-E333 HydrophobicContact CB-CG 4.37Å; N331-E333 PolarHBondContact ND2-OE1 3.4Å; N331-E333 PolarHBondContact O-N 3.49Å
334	M	96.9	Very high	96.4	Very high	26 Å²	26	37 Å²	37	13%	0.128	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	105.9	-174.1	-172	-176.7	-67.2	0	0	110.3	K244 L246 H271 F272 I275 T329 L330 V336	K244-M334 WeakPolarHBondContact O-CA 3.47Å; L246-M334 HydrophobicContact CD1-SD 4.24Å; H271-M334 HydrophobicContact CB-CE 4.1Å; H271-M334 HydrophobicContact CB-SD 4.44Å; F272-M334 HydrophobicContact CD1-SD 3.82Å; F272-M334 HydrophobicContact CE1-SD 3.85Å; I275-M334 HydrophobicContact CD1-CB 4.17Å; I275-M334 HydrophobicContact CD1-CE 4.17Å; I275-M334 HydrophobicContact CD1-SD 3.93Å; I275-M334 HydrophobicContact CG2-CE 3.82Å; T329-M334 CarbonylContact C-O 3.5Å; T329-M334 WeakPolarHBondContact CA-O 3.47Å; L330-M334 PolarHBondContact N-O 3.25Å; L330-M334 PolarHBondContact O-N 2.68Å; M334-V336 HydrophobicContact CG-CG1 3.91Å; M334-V336 HydrophobicContact SD-CG1 4.2Å
335	A	98	Very high	96.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	125.7	174.9	0	0	0	0	0	110	R243 K244 F245 L246 L328	R243-A335 HydrophobicContact CB-CB 4.22Å; R243-A335 HydrophobicContact CG-CB 4.16Å; K244-A335 PolarHBondContact O-N 3.48Å; F245-A335 WeakPolarHBondContact CA-O 3.36Å; F245-A335 HydrophobicContact CD1-CB 3.71Å; F245-A335 HydrophobicContact CE1-CB 3.89Å; F245-A335 HydrophobicContact CG-CB 4.05Å; F245-A335 HydrophobicContact CZ-CB 4.37Å; L246-A335 PolarHBondContact N-O 3.28Å; L328-A335 CarbonylContact O-C 3.34Å; L328-A335 WeakPolarHBondContact O-CA 3.42Å
336	V	98.2	Very high	96.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.7	-175.6	-58.6	0	0	0	0	110.6	L246 F272 T327 L328 L330 M334 Q340 L341 F354	L246-V336 HydrophobicContact CB-CG1 4.21Å; L246-V336 HydrophobicContact CD2-CG1 4.33Å; F272-V336 HydrophobicContact CE1-CG1 3.73Å; F272-V336 HydrophobicContact CZ-CG1 4.2Å; T327-V336 VanDerWaalsContact CA-O 3.25Å; T327-V336 WeakPolarHBondContact CA-O 3.48Å; T327-V336 VanDerWaalsContact CB-O 3.23Å; T327-V336 WeakPolarHBondContact CB-O 3.43Å; L328-V336 HydrophobicContact CB-CG2 4.35Å; L328-V336 PolarHBondContact N-O 2.96Å; L328-V336 PolarHBondContact O-N 3.17Å; L330-V336 HydrophobicContact CD1-CG1 4.19Å; L330-V336 HydrophobicContact CD1-CG2 3.92Å; L330-V336 HydrophobicContact CD2-CG2 4.41Å; L330-V336 HydrophobicContact CG-CG2 3.9Å; M334-V336 HydrophobicContact CG-CG1 3.91Å; M334-V336 HydrophobicContact SD-CG1 4.2Å; V336-Q340 HydrophobicContact CB-CB 4.49Å; V336-L341 HydrophobicContact CG2-CB 4.11Å; V336-L341 HydrophobicContact CG2-CD2 4.45Å; V336-F354 WeakPolarHBondContact O-CZ 3.45Å
337	T	97.7	Very high	96	Very high	59 Å²	59	22.7 Å²	22.7	36%	0.362	12%	0.123	S	C	.	.			trans	-81.6	165	169.5	65.7	0	0	0	0	111.2	T327 G339 Q340 L341	T327-T337 HydrophobicContact CG2-CG2 4.19Å; T337-G339 VanDerWaalsContact C-N 3.3Å; T337-G339 PolarHBondContact O-N 3.39Å; T337-Q340 PolarHBondContact O-N 3.49Å; T337-Q340 VanDerWaalsContact OG1-CG 3.23Å; T337-Q340 WeakPolarHBondContact OG1-CG 3.49Å; T337-Q340 PolarHBondContact OG1-N 3.41Å; T337-Q340 PolarHBondContact OG1-OE1 3.06Å; T337-Q340 VanDerWaalsContact OG1-OE1 3.07Å; T337-L341 PolarHBondContact O-N 2.82Å; T337-L341 VanDerWaalsContact O-N 3.12Å
338	R	97.3	Very high	95.8	Very high	68 Å²	68	27.4 Å²	27.4	26%	0.257	15%	0.151	S	C	.	.	H	α-helix	trans	-56.3	-43.5	176.7	-174.2	-174.1	-71	-100.2	7.2	112.5	K342 S350 D351 F354 D355	R338-K342 WeakPolarHBondContact O-CB 3.47Å; R338-K342 PolarHBondContact O-N 3.48Å; R338-S350 PolarHBondContact O-OG 3.01Å; R338-D351 WeakPolarHBondContact CD-OD1 3.37Å; R338-D351 VanDerWaalsContact NH1-CA 3.29Å; R338-D351 PolarHBondContact NH1-O 3.39Å; R338-D351 VanDerWaalsContact NH1-O 3.1Å; R338-D351 IonicContact NH1-OD1 2.68Å; R338-D351 PolarHBondContact NH1-OD1 2.94Å; R338-F354 VanDerWaalsContact CA-CZ 3.45Å; R338-F354 HydrophobicContact CB-CD1 4.08Å; R338-F354 HydrophobicContact CB-CD2 4Å; R338-F354 HydrophobicContact CB-CE1 4.06Å; R338-F354 HydrophobicContact CB-CE2 4Å; R338-F354 HydrophobicContact CB-CG 4.06Å; R338-F354 HydrophobicContact CB-CZ 4.04Å; R338-F354 HydrophobicContact CG-CB 4.48Å; R338-F354 HydrophobicContact CG-CD2 4.02Å; R338-F354 HydrophobicContact CG-CE2 4.43Å; R338-F354 HydrophobicContact CG-CG 4.12Å; R338-F354 VanDerWaalsContact NH2-CB 3.29Å; R338-D355 IonicContact CZ-OD1 3.85Å; R338-D355 IonicContact NH1-OD1 2.57Å; R338-D355 PolarHBondContact NH1-OD1 3.03Å; R338-D355 IonicContact NH2-OD1 3.84Å; R338-D355 PolarHBondContact NH2-OD1 3.36Å
339	G	95.8	Very high	95.7	Very high	33 Å²	33	27.4 Å²	27.4	34%	0.34	15%	0.151	S	C	.	.	H	α-helix	trans	-63.8	-47.8	178.7	0	0	0	0	0	112.4	T337 L341 K342 N343	T337-G339 VanDerWaalsContact C-N 3.3Å; T337-G339 PolarHBondContact O-N 3.39Å; G339-L341 PolarHBondContact O-N 3.31Å; G339-K342 PolarHBondContact O-N 3.38Å; G339-N343 WeakPolarHBondContact O-CB 3.48Å; G339-N343 VanDerWaalsContact O-CG 3.27Å; G339-N343 PolarHBondContact O-N 3.36Å; G339-N343 PolarHBondContact O-ND2 3.35Å
340	Q	97	Very high	95.7	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.037	15%	0.151	C	C	.	.	H	α-helix	trans	-58.7	-46.6	179	-73.1	173.9	-44.7	0	0	112.4	L246 P247 I250 V336 T337 G344	L246-Q340 HydrophobicContact CD2-CB 4.17Å; L246-Q340 HydrophobicContact CD2-CG 4.32Å; L246-Q340 PolarHBondContact O-NE2 3.05Å; L246-Q340 VanDerWaalsContact O-NE2 3.12Å; P247-Q340 PolarHBondContact O-NE2 3.16Å; I250-Q340 VanDerWaalsContact O-CG 3.29Å; I250-Q340 WeakPolarHBondContact O-CG 3.29Å; I250-Q340 PolarHBondContact O-NE2 3.29Å; I250-Q340 VanDerWaalsContact O-NE2 3.17Å; V336-Q340 HydrophobicContact CB-CB 4.49Å; T337-Q340 PolarHBondContact O-N 3.49Å; T337-Q340 VanDerWaalsContact OG1-CG 3.23Å; T337-Q340 WeakPolarHBondContact OG1-CG 3.49Å; T337-Q340 PolarHBondContact OG1-N 3.41Å; T337-Q340 PolarHBondContact OG1-OE1 3.06Å; T337-Q340 VanDerWaalsContact OG1-OE1 3.07Å; Q340-G344 PolarHBondContact O-N 2.95Å
341	L	96.8	Very high	95.7	Very high	4 Å²	4	28 Å²	28	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-67.6	-37.9	179.4	-174.4	58.6	0	0	0	112.3	F272 L328 L330 V336 T337 G339 L346 S350 F354	F272-L341 HydrophobicContact CD2-CD1 4.3Å; F272-L341 HydrophobicContact CE2-CD1 3.88Å; F272-L341 HydrophobicContact CZ-CD1 4.09Å; L328-L341 HydrophobicContact CD1-CD2 4.13Å; L330-L341 HydrophobicContact CD1-CD1 3.9Å; V336-L341 HydrophobicContact CG2-CB 4.11Å; V336-L341 HydrophobicContact CG2-CD2 4.45Å; T337-L341 PolarHBondContact O-N 2.82Å; T337-L341 VanDerWaalsContact O-N 3.12Å; G339-L341 PolarHBondContact O-N 3.31Å; L341-L346 HydrophobicContact CD1-CD1 3.55Å; L341-L346 HydrophobicContact CD1-CG 4.05Å; L341-L346 HydrophobicContact CD2-CD1 4.04Å; L341-L346 HydrophobicContact CG-CB 4.43Å; L341-L346 HydrophobicContact CG-CD1 3.77Å; L341-L346 HydrophobicContact CG-CG 4.38Å; L341-L346 PolarHBondContact O-N 3.03Å; L341-S350 WeakPolarHBondContact CB-OG 3.2Å; L341-F354 HydrophobicContact CB-CE2 4.21Å; L341-F354 HydrophobicContact CD2-CD2 4.39Å; L341-F354 HydrophobicContact CD2-CE2 3.84Å
342	K	95.9	Very high	95.9	Very high	75 Å²	75	29 Å²	29	33%	0.326	17%	0.165	S	C	.	.	I	π-helix	trans	-64.1	-50.5	177.1	178.3	162.4	-174.5	164.1	0	111.5	R338 G339 G347 S350 D351	R338-K342 WeakPolarHBondContact O-CB 3.47Å; R338-K342 PolarHBondContact O-N 3.48Å; G339-K342 PolarHBondContact O-N 3.38Å; K342-G347 WeakPolarHBondContact CG-O 3.37Å; K342-G347 WeakPolarHBondContact O-CA 3.42Å; K342-G347 PolarHBondContact O-N 3.46Å; K342-S350 PolarHBondContact N-OG 3.42Å; K342-D351 IonicContact NZ-OD1 2.77Å; K342-D351 IonicContact NZ-OD2 3.31Å; K342-D351 PolarHBondContact NZ-OD2 3.19Å
343	N	94.8	Very high	96.3	Very high	39 Å²	39	29.1 Å²	29.1	21%	0.209	17%	0.166	C	C	.	.	I	π-helix	trans	-75.4	-30.1	-176.2	-64.2	-26.9	0	0	0	112.4	G251 A253 V264 D265 G339 G345	G251-N343 WeakPolarHBondContact O-CB 3.41Å; G251-N343 PolarHBondContact O-ND2 3.41Å; A253-N343 PolarHBondContact N-ND2 2.77Å; V264-N343 WeakPolarHBondContact CA-O 3.44Å; D265-N343 PolarHBondContact N-O 3.17Å; G339-N343 WeakPolarHBondContact O-CB 3.48Å; G339-N343 VanDerWaalsContact O-CG 3.27Å; G339-N343 PolarHBondContact O-N 3.36Å; G339-N343 PolarHBondContact O-ND2 3.35Å; N343-G345 PolarHBondContact O-N 2.94Å; N343-G345 VanDerWaalsContact O-N 3.15Å
344	G	95	Very high	96.5	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.01	15%	0.149	C	C	.	.	I	π-helix	trans	-78.9	17.1	176.7	0	0	0	0	0	115	F269 F272 Q340	F269-G344 WeakPolarHBondContact CA-O 3.41Å; F269-G344 WeakPolarHBondContact CB-O 3.25Å; F269-G344 WeakPolarHBondContact CD2-O 3.49Å; F272-G344 WeakPolarHBondContact CD2-O 3.38Å; Q340-G344 PolarHBondContact O-N 2.95Å
345	G	93.5	Very high	96.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.01	16%	0.163	C	C	.	.	I	π-helix	trans	132.2	-33.2	165.6	0	0	0	0	0	114.9	N343 G347 R438 M442	N343-G345 PolarHBondContact O-N 2.94Å; N343-G345 VanDerWaalsContact O-N 3.15Å; G345-G347 VanDerWaalsContact C-N 3.31Å; G345-G347 PolarHBondContact O-N 3.37Å; G345-R438 PolarHBondContact O-NE 2.93Å; G345-R438 PolarHBondContact O-NH2 3.08Å; G345-R438 VanDerWaalsContact O-NH2 3.1Å; G345-M442 WeakPolarHBondContact O-CG 3.22Å
346	L	95.5	Very high	96.6	Very high	26 Å²	26	28.3 Å²	28.3	14%	0.136	16%	0.164	C	C	.	.	I	π-helix	trans	-74.2	-16.9	-173.3	-70.2	-167.6	0	0	0	114.3	M310 L341 V348 V349 I353	M310-L346 HydrophobicContact CE-CD1 4.37Å; M310-L346 HydrophobicContact CE-CD2 4.45Å; L341-L346 HydrophobicContact CD1-CD1 3.55Å; L341-L346 HydrophobicContact CD1-CG 4.05Å; L341-L346 HydrophobicContact CD2-CD1 4.04Å; L341-L346 HydrophobicContact CG-CB 4.43Å; L341-L346 HydrophobicContact CG-CD1 3.77Å; L341-L346 HydrophobicContact CG-CG 4.38Å; L341-L346 PolarHBondContact O-N 3.03Å; L346-V348 PolarHBondContact O-N 3.1Å; L346-V349 HydrophobicContact CB-CB 4.28Å; L346-V349 VanDerWaalsContact O-CB 3.24Å; L346-V349 WeakPolarHBondContact O-CB 3.42Å; L346-V349 WeakPolarHBondContact O-CG2 3.29Å; L346-V349 PolarHBondContact O-N 3.06Å; L346-I353 HydrophobicContact CD1-CD1 4.02Å
347	G	94	Very high	96.6	Very high	12 Å²	12	28.3 Å²	28.3	12%	0.124	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	-132.8	177.9	0	0	0	0	0	112.2	K342 G345 V349 S350	K342-G347 WeakPolarHBondContact CG-O 3.37Å; K342-G347 WeakPolarHBondContact O-CA 3.42Å; K342-G347 PolarHBondContact O-N 3.46Å; G345-G347 VanDerWaalsContact C-N 3.31Å; G345-G347 PolarHBondContact O-N 3.37Å; G347-V349 PolarHBondContact O-N 3.18Å; G347-V349 VanDerWaalsContact O-N 3.16Å; G347-S350 VanDerWaalsContact O-CB 3.22Å; G347-S350 WeakPolarHBondContact O-CB 3.49Å; G347-S350 PolarHBondContact O-N 2.82Å; G347-S350 VanDerWaalsContact O-N 3.08Å
348	V	93.3	Very high	96.6	Very high	101 Å²	101	29.2 Å²	29.2	61%	0.612	17%	0.165	S	C	*	.	H	α-helix	trans	-62.2	-19.5	179.6	-62.9	0	0	0	0	114.2	L346 S350 D351 A352	L346-V348 PolarHBondContact O-N 3.1Å; V348-S350 PolarHBondContact O-N 2.74Å; V348-D351 PolarHBondContact O-N 2.88Å; V348-D351 VanDerWaalsContact O-N 3.17Å; V348-A352 PolarHBondContact O-N 3.32Å
349	V	97.1	Very high	96.6	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-33.4	175.6	-175.1	0	0	0	0	110.4	M310 L346 G347 D351 A352 I353 I431 C434 H435 R438	M310-V349 HydrophobicContact CE-CG1 4.05Å; L346-V349 HydrophobicContact CB-CB 4.28Å; L346-V349 VanDerWaalsContact O-CB 3.24Å; L346-V349 WeakPolarHBondContact O-CB 3.42Å; L346-V349 WeakPolarHBondContact O-CG2 3.29Å; L346-V349 PolarHBondContact O-N 3.06Å; G347-V349 PolarHBondContact O-N 3.18Å; G347-V349 VanDerWaalsContact O-N 3.16Å; V349-D351 VanDerWaalsContact C-N 3.26Å; V349-D351 PolarHBondContact O-N 3.34Å; V349-A352 PolarHBondContact O-N 2.97Å; V349-I353 HydrophobicContact CG1-CD1 4.05Å; V349-I353 HydrophobicContact CG1-CG1 4.41Å; V349-I353 WeakPolarHBondContact O-CG1 3.4Å; V349-I353 PolarHBondContact O-N 3.01Å; V349-I353 VanDerWaalsContact O-N 3.13Å; V349-I431 HydrophobicContact CG1-CG2 4Å; V349-C434 HydrophobicContact CG2-CB 4.09Å; V349-H435 HydrophobicContact CG1-CB 4.38Å; V349-H435 HydrophobicContact CG2-CB 4.43Å; V349-R438 HydrophobicContact CG2-CB 3.96Å; V349-R438 HydrophobicContact CG2-CG 4.37Å
350	S	97.5	Very high	96.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-54.5	-45.9	173.1	-178.3	0	0	0	0	110.9	R338 L341 K342 G347 V348 A352 I353 F354	R338-S350 PolarHBondContact O-OG 3.01Å; L341-S350 WeakPolarHBondContact CB-OG 3.2Å; K342-S350 PolarHBondContact N-OG 3.42Å; G347-S350 VanDerWaalsContact O-CB 3.22Å; G347-S350 WeakPolarHBondContact O-CB 3.49Å; G347-S350 PolarHBondContact O-N 2.82Å; G347-S350 VanDerWaalsContact O-N 3.08Å; V348-S350 PolarHBondContact O-N 2.74Å; S350-A352 VanDerWaalsContact C-N 3.34Å; S350-A352 PolarHBondContact O-N 3.39Å; S350-I353 PolarHBondContact O-N 3.09Å; S350-F354 WeakPolarHBondContact O-CD2 3.38Å; S350-F354 PolarHBondContact O-N 3.34Å
351	D	97.6	Very high	96.6	Very high	37 Å²	37	28.7 Å²	28.7	20%	0.198	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-44.8	-176.4	-65.8	-40.4	0	0	0	111.4	R338 K342 V348 V349 I353 F354 D355	R338-D351 WeakPolarHBondContact CD-OD1 3.37Å; R338-D351 VanDerWaalsContact NH1-CA 3.29Å; R338-D351 PolarHBondContact NH1-O 3.39Å; R338-D351 VanDerWaalsContact NH1-O 3.1Å; R338-D351 IonicContact NH1-OD1 2.68Å; R338-D351 PolarHBondContact NH1-OD1 2.94Å; K342-D351 IonicContact NZ-OD1 2.77Å; K342-D351 IonicContact NZ-OD2 3.31Å; K342-D351 PolarHBondContact NZ-OD2 3.19Å; V348-D351 PolarHBondContact O-N 2.88Å; V348-D351 VanDerWaalsContact O-N 3.17Å; V349-D351 VanDerWaalsContact C-N 3.26Å; V349-D351 PolarHBondContact O-N 3.34Å; D351-I353 PolarHBondContact O-N 2.87Å; D351-F354 PolarHBondContact O-N 2.93Å; D351-D355 WeakPolarHBondContact O-CB 3.47Å; D351-D355 PolarHBondContact O-N 3.04Å
352	A	98.2	Very high	96.5	Very high	38 Å²	38	32 Å²	32	31%	0.314	19%	0.191	S	C	.	.	H	α-helix	trans	-63.3	-38.5	177.8	0	0	0	0	0	113.3	V348 V349 S350 L356 I431	V348-A352 PolarHBondContact O-N 3.32Å; V349-A352 PolarHBondContact O-N 2.97Å; S350-A352 VanDerWaalsContact C-N 3.34Å; S350-A352 PolarHBondContact O-N 3.39Å; A352-L356 WeakPolarHBondContact O-CB 3.2Å; A352-L356 PolarHBondContact O-N 3.17Å; A352-I431 HydrophobicContact CB-CD1 4.19Å; A352-I431 HydrophobicContact CB-CG1 3.7Å
353	I	98.6	Very high	96.4	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-69.6	-41.6	178.7	-59.4	168.3	0	0	0	110.8	M310 S314 A317 L328 L346 V349 S350 D351 L356 G357 I431	M310-I353 HydrophobicContact CE-CD1 3.86Å; S314-I353 WeakPolarHBondContact OG-CD1 3.43Å; A317-I353 HydrophobicContact CB-CG2 4.26Å; L328-I353 HydrophobicContact CD1-CB 4.26Å; L328-I353 HydrophobicContact CD1-CG2 3.53Å; L346-I353 HydrophobicContact CD1-CD1 4.02Å; V349-I353 HydrophobicContact CG1-CD1 4.05Å; V349-I353 HydrophobicContact CG1-CG1 4.41Å; V349-I353 WeakPolarHBondContact O-CG1 3.4Å; V349-I353 PolarHBondContact O-N 3.01Å; V349-I353 VanDerWaalsContact O-N 3.13Å; S350-I353 PolarHBondContact O-N 3.09Å; D351-I353 PolarHBondContact O-N 2.87Å; I353-L356 PolarHBondContact O-N 3.28Å; I353-G357 PolarHBondContact O-N 3.26Å; I353-I431 HydrophobicContact CG1-CD1 4.27Å; I353-I431 HydrophobicContact CG1-CG2 4.11Å
354	F	98.6	Very high	96.4	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.013	20%	0.2	C	C	.	.	H	α-helix	trans	-66.3	-39.7	176.5	-88.9	-94.8	0	0	0	111.9	Y321 E326 L328 V336 R338 L341 S350 D351 L356 G357 M358	Y321-F354 HydrophobicContact CD2-CD1 4.27Å; Y321-F354 HydrophobicContact CE2-CD1 4.05Å; Y321-F354 HydrophobicContact CE2-CE1 4.4Å; E326-F354 WeakPolarHBondContact O-CE1 3.49Å; L328-F354 HydrophobicContact CB-CE1 4.46Å; L328-F354 HydrophobicContact CB-CE2 4.41Å; L328-F354 HydrophobicContact CB-CZ 4.05Å; L328-F354 HydrophobicContact CD1-CD1 4.29Å; L328-F354 HydrophobicContact CD1-CD2 3.46Å; L328-F354 VanDerWaalsContact CD1-CD2 3.46Å; L328-F354 HydrophobicContact CD1-CE1 4.23Å; L328-F354 HydrophobicContact CD1-CE2 3.37Å; L328-F354 HydrophobicContact CD1-CG 3.92Å; L328-F354 HydrophobicContact CD1-CZ 3.78Å; L328-F354 HydrophobicContact CG-CD1 4.03Å; L328-F354 HydrophobicContact CG-CD2 4.07Å; L328-F354 HydrophobicContact CG-CE1 3.75Å; L328-F354 HydrophobicContact CG-CE2 3.79Å; L328-F354 HydrophobicContact CG-CG 4.17Å; L328-F354 HydrophobicContact CG-CZ 3.61Å; V336-F354 WeakPolarHBondContact O-CZ 3.45Å; R338-F354 VanDerWaalsContact CA-CZ 3.45Å; R338-F354 HydrophobicContact CB-CD1 4.08Å; R338-F354 HydrophobicContact CB-CD2 4Å; R338-F354 HydrophobicContact CB-CE1 4.06Å; R338-F354 HydrophobicContact CB-CE2 4Å; R338-F354 HydrophobicContact CB-CG 4.06Å; R338-F354 HydrophobicContact CB-CZ 4.04Å; R338-F354 HydrophobicContact CG-CB 4.48Å; R338-F354 HydrophobicContact CG-CD2 4.02Å; R338-F354 HydrophobicContact CG-CE2 4.43Å; R338-F354 HydrophobicContact CG-CG 4.12Å; R338-F354 VanDerWaalsContact NH2-CB 3.29Å; L341-F354 HydrophobicContact CB-CE2 4.21Å; L341-F354 HydrophobicContact CD2-CD2 4.39Å; L341-F354 HydrophobicContact CD2-CE2 3.84Å; S350-F354 WeakPolarHBondContact O-CD2 3.38Å; S350-F354 PolarHBondContact O-N 3.34Å; D351-F354 PolarHBondContact O-N 2.93Å; F354-L356 VanDerWaalsContact C-N 3.32Å; F354-L356 PolarHBondContact O-N 3.1Å; F354-G357 PolarHBondContact O-N 3.49Å; F354-G357 VanDerWaalsContact O-N 3.17Å; F354-M358 WeakPolarHBondContact O-CG 3.31Å; F354-M358 PolarHBondContact O-N 3.26Å
355	D	98.4	Very high	96.5	Very high	80 Å²	80	34.9 Å²	34.9	43%	0.428	21%	0.208	S	C	.	.	H	α-helix	trans	-65.2	-38.5	176.5	-64.4	-7	0	0	0	111.5	R338 D351 M358 S359	R338-D355 IonicContact CZ-OD1 3.85Å; R338-D355 IonicContact NH1-OD1 2.57Å; R338-D355 PolarHBondContact NH1-OD1 3.03Å; R338-D355 IonicContact NH2-OD1 3.84Å; R338-D355 PolarHBondContact NH2-OD1 3.36Å; D351-D355 WeakPolarHBondContact O-CB 3.47Å; D351-D355 PolarHBondContact O-N 3.04Å; D355-M358 HydrophobicContact CB-CE 4.33Å; D355-M358 WeakPolarHBondContact OD1-CE 3.12Å; D355-S359 WeakPolarHBondContact O-CB 3.35Å; D355-S359 PolarHBondContact O-N 2.99Å
356	L	98.5	Very high	96.6	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-45	169.9	-179.4	65.4	0	0	0	111.6	A318 A352 I353 F354 S359 L360 K424 D427 L428 I431	A318-L356 HydrophobicContact CB-CB 4.28Å; A318-L356 HydrophobicContact CB-CD2 3.85Å; A318-L356 HydrophobicContact CB-CG 3.85Å; A352-L356 WeakPolarHBondContact O-CB 3.2Å; A352-L356 PolarHBondContact O-N 3.17Å; I353-L356 PolarHBondContact O-N 3.28Å; F354-L356 VanDerWaalsContact C-N 3.32Å; F354-L356 PolarHBondContact O-N 3.1Å; L356-S359 WeakPolarHBondContact O-CB 3.35Å; L356-S359 PolarHBondContact O-N 3.03Å; L356-L360 HydrophobicContact CD1-CD1 3.91Å; L356-L360 HydrophobicContact CD1-CG 3.93Å; L356-L360 HydrophobicContact CD2-CD1 4.32Å; L356-L360 HydrophobicContact CG-CD1 3.81Å; L356-L360 HydrophobicContact CG-CG 4.19Å; L356-L360 WeakPolarHBondContact O-CB 3.48Å; L356-L360 WeakPolarHBondContact O-CG 3.41Å; L356-L360 PolarHBondContact O-N 2.92Å; L356-K424 HydrophobicContact CD1-CB 4.33Å; L356-K424 HydrophobicContact CD1-CD 3.57Å; L356-K424 HydrophobicContact CD1-CG 4.49Å; L356-D427 HydrophobicContact CD1-CB 4.29Å; L356-L428 HydrophobicContact CD2-CD1 4.48Å; L356-L428 HydrophobicContact CD2-CD2 3.32Å; L356-L428 HydrophobicContact CD2-CG 3.8Å; L356-I431 HydrophobicContact CB-CD1 4.42Å; L356-I431 HydrophobicContact CD2-CD1 3.98Å
357	G	98.2	Very high	96.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-46.8	178.8	0	0	0	0	0	113.1	A318 I353 F354 S359 L360 S361	A318-G357 WeakPolarHBondContact O-CA 3.38Å; I353-G357 PolarHBondContact O-N 3.26Å; F354-G357 PolarHBondContact O-N 3.49Å; F354-G357 VanDerWaalsContact O-N 3.17Å; G357-S359 VanDerWaalsContact C-N 3.3Å; G357-S359 PolarHBondContact O-N 2.97Å; G357-L360 PolarHBondContact O-N 2.94Å; G357-S361 PolarHBondContact O-N 3.05Å
358	M	98	Very high	96.9	Very high	78 Å²	78	38.9 Å²	38.9	38%	0.384	23%	0.227	S	C	.	.	H	α-helix	trans	-56.6	-45.8	172.4	-71.9	-172.7	-58.4	0	0	111	Y321 F354 D355 S361	Y321-M358 HydrophobicContact CD1-CG 4.34Å; Y321-M358 HydrophobicContact CE1-CB 4.27Å; Y321-M358 HydrophobicContact CE1-CG 3.6Å; Y321-M358 HydrophobicContact CE2-CG 4.13Å; Y321-M358 VanDerWaalsContact CZ-CG 3.48Å; Y321-M358 WeakPolarHBondContact OH-CG 3.34Å; F354-M358 WeakPolarHBondContact O-CG 3.31Å; F354-M358 PolarHBondContact O-N 3.26Å; D355-M358 HydrophobicContact CB-CE 4.33Å; D355-M358 WeakPolarHBondContact OD1-CE 3.12Å; M358-S361 PolarHBondContact O-OG 3.22Å
359	S	97.2	Very high	97.2	Very high	36 Å²	36	34 Å²	34	25%	0.252	20%	0.198	S	C	.	.	H	α-helix	trans	-62.9	-51.4	178.3	-174.1	0	0	0	0	112.1	D355 L356 G357 S361 S362 F363 K424	D355-S359 WeakPolarHBondContact O-CB 3.35Å; D355-S359 PolarHBondContact O-N 2.99Å; L356-S359 WeakPolarHBondContact O-CB 3.35Å; L356-S359 PolarHBondContact O-N 3.03Å; G357-S359 VanDerWaalsContact C-N 3.3Å; G357-S359 PolarHBondContact O-N 2.97Å; S359-S361 VanDerWaalsContact C-N 3.27Å; S359-S361 PolarHBondContact O-N 2.79Å; S359-S362 PolarHBondContact O-N 3.43Å; S359-S362 PolarHBondContact O-OG 3.38Å; S359-F363 WeakPolarHBondContact O-CD2 3.46Å; S359-K424 VanDerWaalsContact OG-CE 3.29Å; S359-K424 WeakPolarHBondContact OG-CE 3.49Å; S359-K424 PolarHBondContact OG-NZ 2.75Å
360	L	97.1	Very high	97.3	Very high	8 Å²	8	34.2 Å²	34.2	4%	0.042	20%	0.199	C	C	.	.	H	α-helix	trans	-65.4	-26.8	-177.7	-73.1	179.3	0	0	0	113.1	L315 A318 V319 L356 G357 S362 F363 L365 K424	L315-L360 HydrophobicContact CD1-CD1 3.83Å; A318-L360 HydrophobicContact CB-CD1 4.03Å; V319-L360 HydrophobicContact CG1-CD1 4.08Å; L356-L360 HydrophobicContact CD1-CD1 3.91Å; L356-L360 HydrophobicContact CD1-CG 3.93Å; L356-L360 HydrophobicContact CD2-CD1 4.32Å; L356-L360 HydrophobicContact CG-CD1 3.81Å; L356-L360 HydrophobicContact CG-CG 4.19Å; L356-L360 WeakPolarHBondContact O-CB 3.48Å; L356-L360 WeakPolarHBondContact O-CG 3.41Å; L356-L360 PolarHBondContact O-N 2.92Å; G357-L360 PolarHBondContact O-N 2.94Å; L360-S362 PolarHBondContact O-N 3.22Å; L360-S362 VanDerWaalsContact O-N 3.12Å; L360-F363 HydrophobicContact CD2-CD2 4.48Å; L360-F363 HydrophobicContact CD2-CG 4.46Å; L360-F363 WeakPolarHBondContact O-CB 3.23Å; L360-F363 PolarHBondContact O-N 3.27Å; L360-L365 HydrophobicContact CD2-CD1 3.93Å; L360-K424 HydrophobicContact CD2-CB 4.42Å; L360-K424 HydrophobicContact CD2-CD 3.97Å; L360-K424 HydrophobicContact CD2-CG 3.86Å; L360-K424 HydrophobicContact CG-CD 4.46Å
361	S	95.7	Very high	97.3	Very high	54 Å²	54	34.2 Å²	34.2	38%	0.378	20%	0.199	S	C	.	.	H	α-helix	trans	-56.8	-28.2	174.8	76.1	0	0	0	0	113	G357 M358 S359	G357-S361 PolarHBondContact O-N 3.05Å; M358-S361 PolarHBondContact O-OG 3.22Å; S359-S361 VanDerWaalsContact C-N 3.27Å; S359-S361 PolarHBondContact O-N 2.79Å
362	S	93.3	Very high	97.4	Very high	74 Å²	74	32.5 Å²	32.5	52%	0.517	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-14.3	176.1	71.2	0	0	0	0	114.5	S359 L360	S359-S362 PolarHBondContact O-N 3.43Å; S359-S362 PolarHBondContact O-OG 3.38Å; L360-S362 PolarHBondContact O-N 3.22Å; L360-S362 VanDerWaalsContact O-N 3.12Å
363	F	95.1	Very high	97.4	Very high	18 Å²	18	30.8 Å²	30.8	8%	0.079	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-21.1	-178.1	-80.7	-112.9	0	0	0	112.9	S359 L360 L365 F417 K420 L421 K424	S359-F363 WeakPolarHBondContact O-CD2 3.46Å; L360-F363 HydrophobicContact CD2-CD2 4.48Å; L360-F363 HydrophobicContact CD2-CG 4.46Å; L360-F363 WeakPolarHBondContact O-CB 3.23Å; L360-F363 PolarHBondContact O-N 3.27Å; F363-L365 VanDerWaalsContact C-N 3.29Å; F363-L365 HydrophobicContact CB-CD2 3.87Å; F363-L365 HydrophobicContact CB-CG 3.94Å; F363-L365 HydrophobicContact CD1-CD2 4.45Å; F363-L365 PolarHBondContact O-N 3.03Å; F363-F417 HydrophobicContact CB-CE2 4.18Å; F363-F417 HydrophobicContact CB-CZ 4.45Å; F363-F417 HydrophobicContact CD1-CD2 4.17Å; F363-F417 AromaticContact CD1-CE2 3.56Å; F363-F417 HydrophobicContact CD1-CE2 3.56Å; F363-F417 AromaticContact CD1-CZ 3.81Å; F363-F417 HydrophobicContact CD1-CZ 3.81Å; F363-F417 HydrophobicContact CE1-CE2 4.37Å; F363-F417 HydrophobicContact CG-CE2 4.2Å; F363-K420 HydrophobicContact CE1-CB 4.05Å; F363-K420 HydrophobicContact CZ-CB 3.92Å; F363-L421 HydrophobicContact CD1-CB 4.46Å; F363-L421 HydrophobicContact CD1-CD1 4.13Å; F363-L421 HydrophobicContact CE1-CB 4.06Å; F363-L421 HydrophobicContact CE1-CD1 4.27Å; F363-K424 HydrophobicContact CZ-CG 4.39Å
364	N	93.7	Very high	97.4	Very high	123 Å²	123	30.6 Å²	30.6	66%	0.658	17%	0.174	S	C	*	.			trans	50.3	48.6	-177.3	-60.4	-58	0	0	0	112.7
365	L	96.9	Very high	97.4	Very high	33 Å²	33	30.4 Å²	30.4	17%	0.173	17%	0.174	C	C	.	.			trans	-64.4	137.5	179.2	-58.9	-176.3	0	0	0	110.9	L360 F363 E369 V370 F417 L421	L360-L365 HydrophobicContact CD2-CD1 3.93Å; F363-L365 VanDerWaalsContact C-N 3.29Å; F363-L365 HydrophobicContact CB-CD2 3.87Å; F363-L365 HydrophobicContact CB-CG 3.94Å; F363-L365 HydrophobicContact CD1-CD2 4.45Å; F363-L365 PolarHBondContact O-N 3.03Å; L365-E369 VanDerWaalsContact CA-OE2 3.27Å; L365-E369 WeakPolarHBondContact CA-OE2 3.39Å; L365-E369 HydrophobicContact CB-CB 4.27Å; L365-E369 HydrophobicContact CD2-CB 4.12Å; L365-V370 HydrophobicContact CB-CG2 3.86Å; L365-V370 HydrophobicContact CD1-CG2 4.15Å; L365-F417 HydrophobicContact CD2-CZ 3.82Å; L365-L421 HydrophobicContact CD1-CD1 4.2Å; L365-L421 HydrophobicContact CD2-CD1 4.09Å; L365-L421 HydrophobicContact CD2-CD2 4.3Å
366	D	96.8	Very high	97.4	Very high	34 Å²	34	26.8 Å²	26.8	18%	0.182	16%	0.155	C	C	.	.			trans	-86.5	172	167.4	74.5	18.2	0	0	0	112.2	T368 E369 V370 Y406 R410	D366-T368 PolarHBondContact O-N 3.15Å; D366-T368 WeakPolarHBondContact OD1-CA 3.48Å; D366-T368 VanDerWaalsContact OD1-CB 3.25Å; D366-T368 WeakPolarHBondContact OD1-CB 3.39Å; D366-T368 PolarHBondContact OD1-N 3.45Å; D366-E369 PolarHBondContact N-OE2 3.3Å; D366-E369 PolarHBondContact O-N 2.99Å; D366-E369 WeakPolarHBondContact OD1-CG 3.37Å; D366-E369 PolarHBondContact OD1-N 3.08Å; D366-V370 WeakPolarHBondContact O-CG2 3.34Å; D366-V370 PolarHBondContact O-N 2.92Å; D366-V370 VanDerWaalsContact O-N 3.1Å; D366-Y406 PolarHBondContact OD2-OH 2.89Å; D366-R410 WeakPolarHBondContact OD2-CD 3.34Å; D366-R410 IonicContact OD2-CZ 3.86Å; D366-R410 IonicContact OD2-NE 3.76Å; D366-R410 PolarHBondContact OD2-NE 2.75Å
367	D	97.7	Very high	97.4	Very high	72 Å²	72	26.6 Å²	26.6	39%	0.385	15%	0.154	S	C	.	.	H	α-helix	trans	-58.6	-31.5	179.7	-78.5	-22.3	0	0	0	112.2	H229 V230 A371	H229-D367 PolarHBondContact CD2-O 3.35Å; H229-D367 VanDerWaalsContact CD2-O 3.27Å; H229-D367 IonicContact NE2-OD1 3.81Å; V230-D367 HydrophobicContact CG2-CB 4.49Å; D367-A371 WeakPolarHBondContact O-CB 3.35Å; D367-A371 PolarHBondContact O-N 2.93Å
368	T	98.5	Very high	97.5	Very high	17 Å²	17	26.6 Å²	26.6	10%	0.104	15%	0.154	C	C	.	.	H	α-helix	trans	-70.5	-44.7	179.1	-63.8	0	0	0	0	111.5	I222 T226 D366 V370 A371 L372 Y406	I222-T368 HydrophobicContact CG2-CG2 3.47Å; I222-T368 VanDerWaalsContact CG2-CG2 3.47Å; T226-T368 WeakPolarHBondContact CG2-OG1 3.26Å; T226-T368 WeakPolarHBondContact OG1-CA 3.17Å; T226-T368 WeakPolarHBondContact OG1-CB 3.36Å; T226-T368 WeakPolarHBondContact OG1-CG2 3.38Å; T226-T368 PolarHBondContact OG1-OG1 3.3Å; D366-T368 PolarHBondContact O-N 3.15Å; D366-T368 WeakPolarHBondContact OD1-CA 3.48Å; D366-T368 VanDerWaalsContact OD1-CB 3.25Å; D366-T368 WeakPolarHBondContact OD1-CB 3.39Å; D366-T368 PolarHBondContact OD1-N 3.45Å; T368-V370 VanDerWaalsContact C-N 3.32Å; T368-V370 PolarHBondContact O-N 3.31Å; T368-A371 WeakPolarHBondContact O-CB 2.96Å; T368-A371 PolarHBondContact O-N 3.17Å; T368-A371 VanDerWaalsContact O-N 3.15Å; T368-L372 HydrophobicContact CG2-CD1 3.83Å; T368-L372 HydrophobicContact CG2-CG 4.47Å; T368-L372 WeakPolarHBondContact O-CG 3.45Å; T368-L372 PolarHBondContact O-N 3.39Å; T368-Y406 HydrophobicContact CG2-CD1 3.81Å; T368-Y406 HydrophobicContact CG2-CD2 4.16Å; T368-Y406 HydrophobicContact CG2-CE1 3.48Å; T368-Y406 VanDerWaalsContact CG2-CE1 3.48Å; T368-Y406 HydrophobicContact CG2-CE2 3.85Å; T368-Y406 HydrophobicContact CG2-CG 4.13Å; T368-Y406 VanDerWaalsContact CG2-CZ 3.49Å
369	E	98.4	Very high	97.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.9	-39.9	178.4	-65.3	170.2	136.7	0	0	111	L365 D366 A371 L373 F403 Y406 I407 H412	L365-E369 VanDerWaalsContact CA-OE2 3.27Å; L365-E369 WeakPolarHBondContact CA-OE2 3.39Å; L365-E369 HydrophobicContact CB-CB 4.27Å; L365-E369 HydrophobicContact CD2-CB 4.12Å; D366-E369 PolarHBondContact N-OE2 3.3Å; D366-E369 PolarHBondContact O-N 2.99Å; D366-E369 WeakPolarHBondContact OD1-CG 3.37Å; D366-E369 PolarHBondContact OD1-N 3.08Å; E369-A371 VanDerWaalsContact C-N 3.33Å; E369-L373 WeakPolarHBondContact O-CB 3.33Å; E369-L373 PolarHBondContact O-N 2.84Å; E369-F403 HydrophobicContact CB-CE2 3.88Å; E369-F403 HydrophobicContact CB-CZ 4.24Å; E369-F403 HydrophobicContact CG-CE2 4.02Å; E369-F403 VanDerWaalsContact O-CZ 3.23Å; E369-F403 WeakPolarHBondContact O-CZ 3.49Å; E369-Y406 HydrophobicContact CG-CD1 3.88Å; E369-Y406 HydrophobicContact CG-CE1 3.76Å; E369-I407 HydrophobicContact CG-CD1 3.91Å; E369-I407 WeakPolarHBondContact OE1-CD1 3.5Å; E369-H412 IonicContact OE1-CD2 2.84Å; E369-H412 IonicContact OE1-CE1 2.74Å; E369-H412 IonicContact OE1-NE2 3.46Å; E369-H412 PolarHBondContact OE1-NE2 2.84Å; E369-H412 IonicContact OE2-CE1 2.95Å; E369-H412 IonicContact OE2-NE2 2.77Å
370	V	98.4	Very high	97.5	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.03	12%	0.124	C	C	.	.	H	α-helix	trans	-65.7	-38.6	173.3	179.1	0	0	0	0	110.8	L315 V319 L365 D366 T368 Q374	L315-V370 HydrophobicContact CD2-CG1 4.44Å; L315-V370 HydrophobicContact CG-CG1 4.42Å; V319-V370 HydrophobicContact CB-CG2 4.49Å; V319-V370 HydrophobicContact CG1-CG1 4.36Å; V319-V370 HydrophobicContact CG1-CG2 3.83Å; V319-V370 HydrophobicContact CG2-CG1 4.43Å; L365-V370 HydrophobicContact CB-CG2 3.86Å; L365-V370 HydrophobicContact CD1-CG2 4.15Å; D366-V370 WeakPolarHBondContact O-CG2 3.34Å; D366-V370 PolarHBondContact O-N 2.92Å; D366-V370 VanDerWaalsContact O-N 3.1Å; T368-V370 VanDerWaalsContact C-N 3.32Å; T368-V370 PolarHBondContact O-N 3.31Å; V370-Q374 VanDerWaalsContact O-CG 3.3Å; V370-Q374 WeakPolarHBondContact O-CG 3.42Å; V370-Q374 PolarHBondContact O-N 2.95Å; V370-Q374 VanDerWaalsContact O-N 3.13Å; V370-Q374 PolarHBondContact O-NE2 3.36Å
371	A	98.8	Very high	97.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.7	-47.5	177.5	0	0	0	0	0	112.6	V225 H229 D367 T368 E369 L373 Q374 A375	V225-A371 VanDerWaalsContact CG1-C 3.45Å; V225-A371 HydrophobicContact CG1-CB 3.75Å; V225-A371 VanDerWaalsContact CG1-O 3.29Å; V225-A371 WeakPolarHBondContact CG1-O 3.45Å; H229-A371 HydrophobicContact CB-CB 3.38Å; D367-A371 WeakPolarHBondContact O-CB 3.35Å; D367-A371 PolarHBondContact O-N 2.93Å; T368-A371 WeakPolarHBondContact O-CB 2.96Å; T368-A371 PolarHBondContact O-N 3.17Å; T368-A371 VanDerWaalsContact O-N 3.15Å; E369-A371 VanDerWaalsContact C-N 3.33Å; A371-L373 VanDerWaalsContact C-N 3.35Å; A371-L373 PolarHBondContact O-N 3.23Å; A371-Q374 WeakPolarHBondContact O-CB 3.49Å; A371-Q374 PolarHBondContact O-N 3.42Å; A371-A375 PolarHBondContact O-N 3.45Å
372	L	98.8	Very high	97.6	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.6	-39.5	178.2	-70.3	163.3	0	0	0	111.6	I222 V225 T368 Q374 A375 V376 F403 Y406	I222-L372 HydrophobicContact CG1-CD1 4.22Å; I222-L372 HydrophobicContact CG1-CD2 4.3Å; V225-L372 HydrophobicContact CG1-CD2 4.4Å; T368-L372 HydrophobicContact CG2-CD1 3.83Å; T368-L372 HydrophobicContact CG2-CG 4.47Å; T368-L372 WeakPolarHBondContact O-CG 3.45Å; T368-L372 PolarHBondContact O-N 3.39Å; L372-Q374 VanDerWaalsContact C-N 3.31Å; L372-Q374 PolarHBondContact O-N 2.98Å; L372-A375 PolarHBondContact O-N 2.57Å; L372-A375 VanDerWaalsContact O-N 3.15Å; L372-V376 WeakPolarHBondContact O-CG2 3.42Å; L372-V376 PolarHBondContact O-N 2.78Å; L372-F403 HydrophobicContact CB-CB 4.08Å; L372-F403 HydrophobicContact CB-CD1 3.84Å; L372-F403 HydrophobicContact CB-CD2 3.89Å; L372-F403 HydrophobicContact CB-CE1 4.13Å; L372-F403 HydrophobicContact CB-CE2 4.18Å; L372-F403 HydrophobicContact CB-CG 3.7Å; L372-F403 HydrophobicContact CB-CZ 4.27Å; L372-F403 HydrophobicContact CD1-CB 4.12Å; L372-F403 HydrophobicContact CD1-CD2 3.77Å; L372-F403 HydrophobicContact CD1-CE2 4.42Å; L372-F403 HydrophobicContact CD1-CG 4.1Å; L372-F403 HydrophobicContact CG-CD2 4.49Å; L372-F403 HydrophobicContact CG-CG 4.48Å; L372-Y406 HydrophobicContact CD1-CD1 4.45Å; L372-Y406 HydrophobicContact CD1-CG 4.45Å
373	L	98.6	Very high	97.8	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-61.1	-39.4	174.5	-169.7	62.9	0	0	0	112	L315 E369 A371 V376 L377 F403 V425 L428	L315-L373 HydrophobicContact CD1-CD2 3.63Å; L315-L373 HydrophobicContact CD2-CB 3.99Å; L315-L373 HydrophobicContact CD2-CD2 3.65Å; L315-L373 HydrophobicContact CD2-CG 3.77Å; L315-L373 HydrophobicContact CG-CD2 4.3Å; E369-L373 WeakPolarHBondContact O-CB 3.33Å; E369-L373 PolarHBondContact O-N 2.84Å; A371-L373 VanDerWaalsContact C-N 3.35Å; A371-L373 PolarHBondContact O-N 3.23Å; L373-V376 PolarHBondContact O-N 3.01Å; L373-L377 HydrophobicContact CG-CD1 4.47Å; L373-L377 WeakPolarHBondContact O-CD1 3.42Å; L373-L377 VanDerWaalsContact O-CG 3.28Å; L373-L377 WeakPolarHBondContact O-CG 3.45Å; L373-L377 PolarHBondContact O-N 3.12Å; L373-L377 VanDerWaalsContact O-N 3.11Å; L373-F403 HydrophobicContact CB-CE1 3.92Å; L373-F403 HydrophobicContact CB-CZ 4.19Å; L373-F403 HydrophobicContact CD1-CE1 4.09Å; L373-V425 HydrophobicContact CD1-CG2 3.44Å; L373-V425 VanDerWaalsContact CD1-CG2 3.44Å; L373-L428 HydrophobicContact CD2-CD1 4.25Å
374	Q	98.8	Very high	97.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.6	-40.5	173.3	-69.8	165	87.7	0	0	112.4	H229 F286 I312 L315 R316 V370 A371 L372 L377 L378	H229-Q374 PolarHBondContact CE1-NE2 3.17Å; H229-Q374 PolarHBondContact ND1-NE2 3.04Å; F286-Q374 HydrophobicContact CD1-CB 4.46Å; F286-Q374 HydrophobicContact CE1-CB 3.63Å; F286-Q374 HydrophobicContact CZ-CB 3.67Å; I312-Q374 HydrophobicContact CD1-CB 4.22Å; I312-Q374 HydrophobicContact CG1-CB 4.25Å; I312-Q374 HydrophobicContact CG1-CG 4.22Å; I312-Q374 HydrophobicContact CG2-CG 3.97Å; L315-Q374 HydrophobicContact CD2-CG 3.76Å; R316-Q374 VanDerWaalsContact CZ-OE1 3.23Å; V370-Q374 VanDerWaalsContact O-CG 3.3Å; V370-Q374 WeakPolarHBondContact O-CG 3.42Å; V370-Q374 PolarHBondContact O-N 2.95Å; V370-Q374 VanDerWaalsContact O-N 3.13Å; V370-Q374 PolarHBondContact O-NE2 3.36Å; A371-Q374 WeakPolarHBondContact O-CB 3.49Å; A371-Q374 PolarHBondContact O-N 3.42Å; L372-Q374 VanDerWaalsContact C-N 3.31Å; L372-Q374 PolarHBondContact O-N 2.98Å; Q374-L377 PolarHBondContact O-N 3.35Å; Q374-L378 WeakPolarHBondContact O-CB 3.37Å; Q374-L378 PolarHBondContact O-N 3.02Å
375	A	98.8	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.4	-40.5	178.2	0	0	0	0	0	112	V225 L290 A371 L372 L378 M379 F399	V225-A375 HydrophobicContact CG1-CB 3.92Å; V225-A375 HydrophobicContact CG2-CB 4.42Å; L290-A375 HydrophobicContact CD1-CB 4.2Å; A371-A375 PolarHBondContact O-N 3.45Å; L372-A375 PolarHBondContact O-N 2.57Å; L372-A375 VanDerWaalsContact O-N 3.15Å; A375-L378 PolarHBondContact O-N 3.03Å; A375-M379 PolarHBondContact O-N 3.33Å; A375-F399 HydrophobicContact CB-CB 4.45Å; A375-F399 HydrophobicContact CB-CD1 3.8Å; A375-F399 HydrophobicContact CB-CD2 3.95Å; A375-F399 HydrophobicContact CB-CE1 3.98Å; A375-F399 HydrophobicContact CB-CE2 4.12Å; A375-F399 HydrophobicContact CB-CG 3.8Å; A375-F399 HydrophobicContact CB-CZ 4.13Å
376	V	98.7	Very high	98	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.024	15%	0.148	C	C	.	.	H	α-helix	trans	-61.8	-42.8	174.3	171	0	0	0	0	111.6	L372 L373 Q396 F399 L400 F403	L372-V376 WeakPolarHBondContact O-CG2 3.42Å; L372-V376 PolarHBondContact O-N 2.78Å; L373-V376 PolarHBondContact O-N 3.01Å; V376-Q396 HydrophobicContact CG1-CG 4.41Å; V376-Q396 PolarHBondContact O-NE2 3.36Å; V376-F399 HydrophobicContact CG2-CB 3.97Å; V376-L400 HydrophobicContact CG1-CD2 3.82Å; V376-L400 HydrophobicContact CG1-CG 4.28Å; V376-L400 HydrophobicContact CG2-CD2 3.81Å; V376-L400 HydrophobicContact CG2-CG 3.99Å; V376-F403 HydrophobicContact CG2-CD1 4.46Å
377	L	98.7	Very high	98.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-66.4	-42.2	176.3	-68.9	162.4	0	0	0	112	E311 I312 L315 L373 Q374 S380 V425 L428	E311-L377 HydrophobicContact CB-CD1 4.41Å; E311-L377 HydrophobicContact CB-CD2 4.29Å; E311-L377 WeakPolarHBondContact OE2-CD2 3.45Å; I312-L377 HydrophobicContact CG1-CB 4.36Å; I312-L377 HydrophobicContact CG1-CD1 4.49Å; L315-L377 HydrophobicContact CD2-CD1 4.17Å; L373-L377 HydrophobicContact CG-CD1 4.47Å; L373-L377 WeakPolarHBondContact O-CD1 3.42Å; L373-L377 VanDerWaalsContact O-CG 3.28Å; L373-L377 WeakPolarHBondContact O-CG 3.45Å; L373-L377 PolarHBondContact O-N 3.12Å; L373-L377 VanDerWaalsContact O-N 3.11Å; Q374-L377 PolarHBondContact O-N 3.35Å; L377-S380 PolarHBondContact O-N 3.37Å; L377-S380 PolarHBondContact O-OG 2.96Å; L377-V425 HydrophobicContact CD2-CG1 3.92Å; L377-L428 HydrophobicContact CD1-CB 4.44Å; L377-L428 HydrophobicContact CD1-CD1 3.69Å; L377-L428 HydrophobicContact CD2-CB 4.06Å
378	L	98.7	Very high	98.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.9	-44.3	177.9	175.8	65.1	0	0	0	111.8	F286 A287 L290 F293 L304 L305 C308 I312 Q374 A375 S380	F286-L378 HydrophobicContact CE1-CD2 4.41Å; A287-L378 HydrophobicContact CB-CD1 3.93Å; A287-L378 HydrophobicContact CB-CD2 3.62Å; A287-L378 HydrophobicContact CB-CG 4.45Å; L290-L378 HydrophobicContact CD1-CD2 3.88Å; F293-L378 HydrophobicContact CD2-CD1 4.06Å; F293-L378 HydrophobicContact CD2-CD2 4.12Å; F293-L378 HydrophobicContact CD2-CG 4.23Å; F293-L378 HydrophobicContact CE2-CD1 3.96Å; F293-L378 HydrophobicContact CG-CD2 4.42Å; L304-L378 HydrophobicContact CB-CD1 4.43Å; L304-L378 WeakPolarHBondContact CD2-O 3.34Å; L305-L378 HydrophobicContact CD2-CD1 4.36Å; C308-L378 VanDerWaalsContact SG-CD1 3.51Å; I312-L378 HydrophobicContact CD1-CB 4.34Å; Q374-L378 WeakPolarHBondContact O-CB 3.37Å; Q374-L378 PolarHBondContact O-N 3.02Å; A375-L378 PolarHBondContact O-N 3.03Å; L378-S380 PolarHBondContact O-N 3.01Å
379	M	98.5	Very high	98.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	39	-178.8	-62	-57.2	-175.9	0	0	113.2	M292 F293 L296 L304 A375 S381 I392 Q396 F399	M292-M379 HydrophobicContact CB-CE 3.91Å; F293-M379 HydrophobicContact CB-CE 3.66Å; F293-M379 HydrophobicContact CD2-CE 4.47Å; L296-M379 HydrophobicContact CD1-SD 4.27Å; L304-M379 HydrophobicContact CD1-SD 4.27Å; A375-M379 PolarHBondContact O-N 3.33Å; M379-S381 PolarHBondContact O-N 3.27Å; M379-I392 HydrophobicContact CB-CG2 4.32Å; M379-I392 WeakPolarHBondContact O-CG2 3.39Å; M379-Q396 HydrophobicContact CB-CB 3.92Å; M379-Q396 HydrophobicContact CB-CG 4.21Å; M379-Q396 VanDerWaalsContact O-CB 3.31Å; M379-Q396 WeakPolarHBondContact O-CB 3.22Å; M379-Q396 WeakPolarHBondContact O-CG 3.46Å; M379-Q396 PolarHBondContact O-NE2 3.38Å; M379-F399 HydrophobicContact CE-CE2 4.17Å; M379-F399 HydrophobicContact CG-CD2 3.97Å; M379-F399 HydrophobicContact CG-CE2 3.7Å
380	S	97.9	Very high	98.1	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.021	21%	0.211	C	C	.	.			trans	-72.3	107.6	175.9	-64	0	0	0	0	110.5	L304 L377 L378 D382 R383	L304-S380 VanDerWaalsContact CD2-O 3.29Å; L304-S380 WeakPolarHBondContact CD2-O 3.42Å; L377-S380 PolarHBondContact O-N 3.37Å; L377-S380 PolarHBondContact O-OG 2.96Å; L378-S380 PolarHBondContact O-N 3.01Å; S380-D382 VanDerWaalsContact C-N 3.25Å; S380-D382 WeakPolarHBondContact CB-OD1 3.49Å; S380-D382 PolarHBondContact O-N 3.08Å; S380-R383 WeakPolarHBondContact O-CG 3.44Å; S380-R383 PolarHBondContact OG-NH2 3.33Å
381	S	97.6	Very high	98.1	Very high	19 Å²	19	37.4 Å²	37.4	13%	0.133	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-9.6	-177.6	60.4	0	0	0	0	114.3	M379 R383 L386	M379-S381 PolarHBondContact O-N 3.27Å; S381-R383 VanDerWaalsContact C-N 3.31Å; S381-R383 PolarHBondContact O-N 3.04Å; S381-L386 WeakPolarHBondContact O-CD1 3.37Å
382	D	96.8	Very high	98.1	Very high	99 Å²	99	37.4 Å²	37.4	53%	0.529	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	7.8	-177.5	67.2	-36.2	0	0	0	113.9	S380 R429	S380-D382 VanDerWaalsContact C-N 3.25Å; S380-D382 WeakPolarHBondContact CB-OD1 3.49Å; S380-D382 PolarHBondContact O-N 3.08Å; D382-R429 VanDerWaalsContact CG-NH2 3.33Å; D382-R429 IonicContact OD1-NH2 3.27Å; D382-R429 PolarHBondContact OD1-NH2 3.23Å; D382-R429 IonicContact OD2-CZ 3.67Å; D382-R429 IonicContact OD2-NH2 3.59Å; D382-R429 PolarHBondContact OD2-NH2 3.33Å
383	R	96.8	Very high	98.1	Very high	29 Å²	29	41.9 Å²	41.9	11%	0.109	25%	0.246	C	C	.	.			trans	-71.8	131.5	177.6	-54.7	-64.7	174.2	164.4	-2.3	110.8	I303 L304 G307 E311 S380 S381 L386 R429	I303-R383 HydrophobicContact CG2-CB 3.62Å; I303-R383 HydrophobicContact CG2-CG 4.48Å; L304-R383 HydrophobicContact CD2-CG 4.24Å; G307-R383 VanDerWaalsContact C-CZ 3.5Å; G307-R383 VanDerWaalsContact C-NH1 3.29Å; G307-R383 VanDerWaalsContact CA-NH1 3.31Å; G307-R383 PolarHBondContact O-NH1 3.1Å; G307-R383 PolarHBondContact O-NH2 3.02Å; E311-R383 IonicContact OE1-CZ 3.96Å; E311-R383 IonicContact OE1-NH1 2.84Å; E311-R383 PolarHBondContact OE1-NH1 2.77Å; E311-R383 VanDerWaalsContact OE1-NH1 3.15Å; E311-R383 IonicContact OE1-NH2 3.62Å; E311-R383 PolarHBondContact OE1-NH2 3.33Å; E311-R383 IonicContact OE2-NH2 3.25Å; E311-R383 PolarHBondContact OE2-NH2 2.78Å; S380-R383 WeakPolarHBondContact O-CG 3.44Å; S380-R383 PolarHBondContact OG-NH2 3.33Å; S381-R383 VanDerWaalsContact C-N 3.31Å; S381-R383 PolarHBondContact O-N 3.04Å; R383-L386 HydrophobicContact CB-CD1 3.78Å; R383-L386 HydrophobicContact CB-CG 4.03Å; R383-L386 HydrophobicContact CG-CD1 4.44Å; R383-L386 WeakPolarHBondContact O-CD1 3.19Å; R383-L386 WeakPolarHBondContact O-CG 3.41Å; R383-R429 VanDerWaalsContact NH2-NH1 3.19Å
384	P	96	Very high	98.1	Very high	120 Å²	120	48.6 Å²	48.6	78%	0.779	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	138.8	177.4	-23.6	33.7	0	0	0	112.7
385	G	97.3	Very high	98	Very high	67 Å²	67	49.7 Å²	49.7	69%	0.691	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	-1.3	174.2	0	0	0	0	0	115.7	I303	I303-G385 WeakPolarHBondContact CD1-O 3.46Å
386	L	98.3	Very high	98	Very high	19 Å²	19	51.3 Å²	51.3	10%	0.099	29%	0.287	C	S	.	.			trans	-62.5	136.1	175.1	-70	173.4	0	0	0	111.9	D300 I303 L304 S381 R383 V389 I392	D300-L386 HydrophobicContact CB-CD2 3.99Å; D300-L386 WeakPolarHBondContact OD1-CA 3.45Å; I303-L386 HydrophobicContact CB-CD2 3.92Å; I303-L386 HydrophobicContact CD1-CD2 4.43Å; I303-L386 HydrophobicContact CG2-CD2 3.68Å; I303-L386 HydrophobicContact CG2-CG 4Å; L304-L386 HydrophobicContact CD2-CD1 4.13Å; L304-L386 HydrophobicContact CD2-CD2 4.03Å; L304-L386 HydrophobicContact CG-CD2 4.09Å; S381-L386 WeakPolarHBondContact O-CD1 3.37Å; R383-L386 HydrophobicContact CB-CD1 3.78Å; R383-L386 HydrophobicContact CB-CG 4.03Å; R383-L386 HydrophobicContact CG-CD1 4.44Å; R383-L386 WeakPolarHBondContact O-CD1 3.19Å; R383-L386 WeakPolarHBondContact O-CG 3.41Å; L386-V389 HydrophobicContact CB-CG2 3.85Å; L386-I392 HydrophobicContact CB-CD1 4.45Å; L386-I392 HydrophobicContact CD1-CD1 3.88Å; L386-I392 HydrophobicContact CD2-CD1 3.76Å; L386-I392 HydrophobicContact CG-CD1 4.25Å
387	A	98.2	Very high	98	Very high	80 Å²	80	55.1 Å²	55.1	66%	0.661	31%	0.308	S	S	*	.	S	Bend	trans	-87.2	-41.1	175.3	0	0	0	0	0	112.2	D300	D300-A387 PolarHBondContact OD1-N 2.91Å
388	C	97.6	Very high	98	Very high	30 Å²	30	57 Å²	57	20%	0.203	32%	0.321	C	S	.	.			trans	-102.4	45.8	-174.3	-53.5	0	0	0	0	114.3	L296 P297 D300 E390 R391 I392	L296-C388 HydrophobicContact CD2-CB 4.45Å; P297-C388 VanDerWaalsContact CD-SG 3.52Å; P297-C388 VanDerWaalsContact CG-SG 3.52Å; D300-C388 VanDerWaalsContact OD2-CB 3.24Å; D300-C388 WeakPolarHBondContact OD2-CB 3.38Å; D300-C388 PolarHBondContact OD2-N 3.03Å; D300-C388 PolarHBondContact OD2-SG 3.08Å; C388-E390 PolarHBondContact O-N 2.95Å; C388-R391 HydrophobicContact CB-CB 4.29Å; C388-R391 PolarHBondContact O-N 3.26Å; C388-R391 VanDerWaalsContact O-N 3.12Å; C388-I392 WeakPolarHBondContact O-CG1 3.45Å; C388-I392 PolarHBondContact O-N 3.23Å; C388-I392 VanDerWaalsContact O-N 3.08Å
389	V	98.5	Very high	98	Very high	60 Å²	60	57 Å²	57	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-50.2	-51.9	-173.2	179.3	0	0	0	0	113.3	L386 R391 I392 E393	L386-V389 HydrophobicContact CB-CG2 3.85Å; V389-R391 VanDerWaalsContact C-N 3.3Å; V389-R391 PolarHBondContact O-N 3.46Å; V389-I392 PolarHBondContact O-N 3.16Å; V389-E393 WeakPolarHBondContact O-CB 3.07Å; V389-E393 PolarHBondContact O-N 3.32Å
390	E	98.3	Very high	98	Very high	167 Å²	167	59.1 Å²	59.1	78%	0.78	33%	0.332	S	S	*	.	H	α-helix	trans	-61.2	-36.3	-177.5	-63.8	-179.8	177.5	0	0	113	C388 K394	C388-E390 PolarHBondContact O-N 2.95Å; E390-K394 PolarHBondContact O-N 2.83Å
391	R	98.3	Very high	98	Very high	86 Å²	86	63 Å²	63	33%	0.325	35%	0.352	S	S	.	.	H	α-helix	trans	-72.3	-40.5	179.1	-177.5	164.3	61.4	143.4	-3.1	111.2	E295 L296 C388 V389 K394 Y395	E295-R391 PolarHBondContact O-NH1 3.47Å; E295-R391 PolarHBondContact O-NH2 3.48Å; L296-R391 HydrophobicContact CD2-CG 4.44Å; C388-R391 HydrophobicContact CB-CB 4.29Å; C388-R391 PolarHBondContact O-N 3.26Å; C388-R391 VanDerWaalsContact O-N 3.12Å; V389-R391 VanDerWaalsContact C-N 3.3Å; V389-R391 PolarHBondContact O-N 3.46Å; R391-K394 PolarHBondContact O-N 2.82Å; R391-Y395 HydrophobicContact CG-CD2 4.28Å; R391-Y395 HydrophobicContact CG-CE1 4.08Å; R391-Y395 HydrophobicContact CG-CE2 3.72Å; R391-Y395 VanDerWaalsContact O-CG 3.25Å; R391-Y395 PolarHBondContact O-N 3.06Å
392	I	98.7	Very high	98	Very high	0 Å²	0	62 Å²	62	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64	-43.9	176.3	-65.1	165.1	0	0	0	110	L296 D300 L304 M379 L386 C388 V389 K394 Y395 Q396	L296-I392 HydrophobicContact CD1-CD1 4.33Å; L296-I392 HydrophobicContact CD1-CG1 3.86Å; L296-I392 HydrophobicContact CD2-CG1 3.79Å; D300-I392 HydrophobicContact CB-CD1 4.4Å; L304-I392 HydrophobicContact CD1-CD1 4.14Å; L304-I392 HydrophobicContact CD1-CG1 4.43Å; L304-I392 HydrophobicContact CD1-CG2 4.47Å; L304-I392 HydrophobicContact CD2-CD1 4.45Å; L304-I392 HydrophobicContact CD2-CG2 4.3Å; M379-I392 HydrophobicContact CB-CG2 4.32Å; M379-I392 WeakPolarHBondContact O-CG2 3.39Å; L386-I392 HydrophobicContact CB-CD1 4.45Å; L386-I392 HydrophobicContact CD1-CD1 3.88Å; L386-I392 HydrophobicContact CD2-CD1 3.76Å; L386-I392 HydrophobicContact CG-CD1 4.25Å; C388-I392 WeakPolarHBondContact O-CG1 3.45Å; C388-I392 PolarHBondContact O-N 3.23Å; C388-I392 VanDerWaalsContact O-N 3.08Å; V389-I392 PolarHBondContact O-N 3.16Å; I392-K394 PolarHBondContact O-N 3.38Å; I392-Y395 PolarHBondContact O-N 3.21Å; I392-Y395 VanDerWaalsContact O-N 3.16Å; I392-Q396 PolarHBondContact O-N 2.85Å
393	E	98.4	Very high	98.1	Very high	93 Å²	93	57.4 Å²	57.4	44%	0.435	32%	0.32	S	S	.	.	H	α-helix	trans	-58.4	-47.3	175.6	-173	173.2	-167.5	0	0	111.3	V389 Y395 Q396 D397	V389-E393 WeakPolarHBondContact O-CB 3.07Å; V389-E393 PolarHBondContact O-N 3.32Å; E393-Y395 VanDerWaalsContact C-N 3.3Å; E393-Y395 PolarHBondContact O-N 3.2Å; E393-Q396 WeakPolarHBondContact O-CB 3.29Å; E393-Q396 PolarHBondContact O-N 3.37Å; E393-Q396 VanDerWaalsContact O-N 3.09Å; E393-D397 PolarHBondContact O-N 3.23Å
394	K	98.4	Very high	98.2	Very high	143 Å²	143	59.5 Å²	59.5	62%	0.622	33%	0.331	S	S	*	.	H	α-helix	trans	-59	-38.9	175.1	-175.3	179.9	178.5	-177.1	0	113.1	E390 R391 I392 S398	E390-K394 PolarHBondContact O-N 2.83Å; R391-K394 PolarHBondContact O-N 2.82Å; I392-K394 PolarHBondContact O-N 3.38Å; K394-S398 PolarHBondContact O-N 3.24Å; K394-S398 VanDerWaalsContact O-N 3.12Å; K394-S398 PolarHBondContact O-OG 3.25Å
395	Y	98.5	Very high	98.2	Very high	24 Å²	24	54.7 Å²	54.7	9%	0.094	30%	0.299	C	S	.	.	H	α-helix	trans	-68	-40.8	175.9	-65.7	-14.8	0	0	0	111.2	M292 E295 L296 R391 I392 E393 S398 F399	M292-Y395 HydrophobicContact CB-CD2 3.8Å; M292-Y395 HydrophobicContact CB-CE2 4.01Å; M292-Y395 HydrophobicContact CB-CG 4.06Å; M292-Y395 HydrophobicContact CE-CD1 3.03Å; M292-Y395 HydrophobicContact CE-CE1 3.47Å; M292-Y395 VanDerWaalsContact CE-CE1 3.47Å; M292-Y395 HydrophobicContact CE-CG 3.62Å; M292-Y395 HydrophobicContact CG-CG 4.47Å; M292-Y395 WeakPolarHBondContact O-CE2 3.49Å; M292-Y395 HydrophobicContact SD-CD1 3.61Å; M292-Y395 HydrophobicContact SD-CD2 4.44Å; M292-Y395 HydrophobicContact SD-CE1 3.45Å; M292-Y395 WeakPolarHBondContact SD-CE1 3.22Å; M292-Y395 HydrophobicContact SD-CE2 4.32Å; M292-Y395 HydrophobicContact SD-CG 4.09Å; E295-Y395 PolarHBondContact OE2-OH 2.79Å; L296-Y395 HydrophobicContact CD2-CD2 4.35Å; L296-Y395 HydrophobicContact CD2-CE2 4.01Å; L296-Y395 HydrophobicContact CG-CE2 4.47Å; R391-Y395 HydrophobicContact CG-CD2 4.28Å; R391-Y395 HydrophobicContact CG-CE1 4.08Å; R391-Y395 HydrophobicContact CG-CE2 3.72Å; R391-Y395 VanDerWaalsContact O-CG 3.25Å; R391-Y395 PolarHBondContact O-N 3.06Å; I392-Y395 PolarHBondContact O-N 3.21Å; I392-Y395 VanDerWaalsContact O-N 3.16Å; E393-Y395 VanDerWaalsContact C-N 3.3Å; E393-Y395 PolarHBondContact O-N 3.2Å; Y395-S398 WeakPolarHBondContact O-CB 3.47Å; Y395-S398 PolarHBondContact O-N 3.01Å; Y395-F399 WeakPolarHBondContact O-CD2 3.41Å; Y395-F399 PolarHBondContact O-N 2.79Å; Y395-F399 VanDerWaalsContact O-N 3.17Å
396	Q	98.4	Very high	98.3	Very high	33 Å²	33	52.4 Å²	52.4	15%	0.154	27%	0.269	C	S	.	.	H	α-helix	trans	-61.7	-45.3	174.5	-161.2	-178.6	39.3	0	0	111.9	V376 M379 I392 E393 S398 F399 L400	V376-Q396 HydrophobicContact CG1-CG 4.41Å; V376-Q396 PolarHBondContact O-NE2 3.36Å; M379-Q396 HydrophobicContact CB-CB 3.92Å; M379-Q396 HydrophobicContact CB-CG 4.21Å; M379-Q396 VanDerWaalsContact O-CB 3.31Å; M379-Q396 WeakPolarHBondContact O-CB 3.22Å; M379-Q396 WeakPolarHBondContact O-CG 3.46Å; M379-Q396 PolarHBondContact O-NE2 3.38Å; I392-Q396 PolarHBondContact O-N 2.85Å; E393-Q396 WeakPolarHBondContact O-CB 3.29Å; E393-Q396 PolarHBondContact O-N 3.37Å; E393-Q396 VanDerWaalsContact O-N 3.09Å; Q396-S398 VanDerWaalsContact C-N 3.27Å; Q396-S398 PolarHBondContact O-N 3.35Å; Q396-F399 PolarHBondContact O-N 3.49Å; Q396-F399 VanDerWaalsContact O-N 3.11Å; Q396-L400 HydrophobicContact CG-CD1 4.21Å; Q396-L400 WeakPolarHBondContact O-CG 3.34Å; Q396-L400 PolarHBondContact O-N 2.95Å
397	D	98.4	Very high	98.2	Very high	85 Å²	85	52 Å²	52	46%	0.455	27%	0.267	S	S	.	.	H	α-helix	trans	-58.5	-40.3	176.4	-75.2	-17.6	0	0	0	111.6	E393 F399 L400 L401	E393-D397 PolarHBondContact O-N 3.23Å; D397-F399 VanDerWaalsContact C-N 3.34Å; D397-F399 PolarHBondContact O-N 3.37Å; D397-L400 PolarHBondContact O-N 3.18Å; D397-L401 WeakPolarHBondContact O-CB 3.38Å; D397-L401 PolarHBondContact O-N 3.24Å
398	S	98.4	Very high	97.9	Very high	40 Å²	40	48.8 Å²	48.8	28%	0.28	24%	0.238	S	C	.	.	H	α-helix	trans	-62.6	-41.8	176.7	-55.3	0	0	0	0	111.4	K394 Y395 Q396 A402	K394-S398 PolarHBondContact O-N 3.24Å; K394-S398 VanDerWaalsContact O-N 3.12Å; K394-S398 PolarHBondContact O-OG 3.25Å; Y395-S398 WeakPolarHBondContact O-CB 3.47Å; Y395-S398 PolarHBondContact O-N 3.01Å; Q396-S398 VanDerWaalsContact C-N 3.27Å; Q396-S398 PolarHBondContact O-N 3.35Å; S398-A402 WeakPolarHBondContact O-CB 3.15Å; S398-A402 PolarHBondContact O-N 3.17Å; S398-A402 VanDerWaalsContact O-N 3.14Å
399	F	98.6	Very high	97.8	Very high	1 Å²	1	52.5 Å²	52.5	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-68.3	-41.8	174.2	-67.9	-56.9	0	0	0	112.3	L221 V225 L290 M292 A375 V376 M379 Y395 Q396 D397 F403	L221-F399 HydrophobicContact CD1-CD1 4.23Å; L221-F399 HydrophobicContact CD1-CE1 3.53Å; L221-F399 HydrophobicContact CD1-CZ 4.22Å; L221-F399 HydrophobicContact CD2-CD1 3.94Å; L221-F399 HydrophobicContact CD2-CE1 4.09Å; L221-F399 HydrophobicContact CG-CD1 4.11Å; L221-F399 HydrophobicContact CG-CE1 3.89Å; V225-F399 HydrophobicContact CG2-CD1 3.92Å; V225-F399 HydrophobicContact CG2-CE1 3.32Å; V225-F399 HydrophobicContact CG2-CZ 4.22Å; L290-F399 HydrophobicContact CD1-CZ 4.31Å; M292-F399 HydrophobicContact CG-CZ 4.41Å; A375-F399 HydrophobicContact CB-CB 4.45Å; A375-F399 HydrophobicContact CB-CD1 3.8Å; A375-F399 HydrophobicContact CB-CD2 3.95Å; A375-F399 HydrophobicContact CB-CE1 3.98Å; A375-F399 HydrophobicContact CB-CE2 4.12Å; A375-F399 HydrophobicContact CB-CG 3.8Å; A375-F399 HydrophobicContact CB-CZ 4.13Å; V376-F399 HydrophobicContact CG2-CB 3.97Å; M379-F399 HydrophobicContact CE-CE2 4.17Å; M379-F399 HydrophobicContact CG-CD2 3.97Å; M379-F399 HydrophobicContact CG-CE2 3.7Å; Y395-F399 WeakPolarHBondContact O-CD2 3.41Å; Y395-F399 PolarHBondContact O-N 2.79Å; Y395-F399 VanDerWaalsContact O-N 3.17Å; Q396-F399 PolarHBondContact O-N 3.49Å; Q396-F399 VanDerWaalsContact O-N 3.11Å; D397-F399 VanDerWaalsContact C-N 3.34Å; D397-F399 PolarHBondContact O-N 3.37Å; F399-F403 WeakPolarHBondContact O-CB 3.43Å; F399-F403 PolarHBondContact O-N 2.96Å
400	L	98.5	Very high	97.6	Very high	44 Å²	44	54.5 Å²	54.5	23%	0.23	25%	0.25	C	S	.	.	H	α-helix	trans	-62.5	-43.3	178.6	-77.4	168.2	0	0	0	112	V376 Q396 D397 F403 E404 W418 L422	V376-L400 HydrophobicContact CG1-CD2 3.82Å; V376-L400 HydrophobicContact CG1-CG 4.28Å; V376-L400 HydrophobicContact CG2-CD2 3.81Å; V376-L400 HydrophobicContact CG2-CG 3.99Å; Q396-L400 HydrophobicContact CG-CD1 4.21Å; Q396-L400 WeakPolarHBondContact O-CG 3.34Å; Q396-L400 PolarHBondContact O-N 2.95Å; D397-L400 PolarHBondContact O-N 3.18Å; L400-F403 PolarHBondContact O-N 2.91Å; L400-E404 PolarHBondContact O-N 3.23Å; L400-W418 HydrophobicContact CD2-CH2 4.12Å; L400-W418 HydrophobicContact CD2-CZ2 4.36Å; L400-L422 HydrophobicContact CD2-CD2 3.98Å
401	L	98.1	Very high	97.1	Very high	83 Å²	83	53 Å²	53	44%	0.435	24%	0.241	S	C	.	.	H	α-helix	trans	-65.8	-50.7	178.6	-173.8	67.5	0	0	0	111.3	E218 D397 F403 E404 H405	E218-L401 WeakPolarHBondContact OE1-CD2 3.46Å; E218-L401 WeakPolarHBondContact OE1-CG 3.23Å; D397-L401 WeakPolarHBondContact O-CB 3.38Å; D397-L401 PolarHBondContact O-N 3.24Å; L401-F403 PolarHBondContact O-N 3.24Å; L401-E404 PolarHBondContact O-N 3.3Å; L401-H405 WeakPolarHBondContact CD1-NE2 3.49Å; L401-H405 PolarHBondContact O-N 2.94Å
402	A	98.5	Very high	96.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.8	-36.5	175.4	0	0	0	0	0	111.5	E218 L221 I222 S398 Y406	E218-A402 HydrophobicContact CB-CB 4.05Å; E218-A402 HydrophobicContact CG-CB 4.05Å; L221-A402 HydrophobicContact CD2-CB 4.24Å; I222-A402 HydrophobicContact CD1-CB 4.33Å; I222-A402 HydrophobicContact CG1-CB 4.11Å; S398-A402 WeakPolarHBondContact O-CB 3.15Å; S398-A402 PolarHBondContact O-N 3.17Å; S398-A402 VanDerWaalsContact O-N 3.14Å; A402-Y406 WeakPolarHBondContact O-CB 3.37Å; A402-Y406 PolarHBondContact O-N 2.66Å
403	F	98.5	Very high	96.2	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.009	28%	0.278	C	S	.	.	H	α-helix	trans	-68.2	-49	176.7	-164.4	-176.9	0	0	0	112.5	E369 L372 L373 V376 F399 L400 L401 H405 Y406 I407 W418 L421	E369-F403 HydrophobicContact CB-CE2 3.88Å; E369-F403 HydrophobicContact CB-CZ 4.24Å; E369-F403 HydrophobicContact CG-CE2 4.02Å; E369-F403 VanDerWaalsContact O-CZ 3.23Å; E369-F403 WeakPolarHBondContact O-CZ 3.49Å; L372-F403 HydrophobicContact CB-CB 4.08Å; L372-F403 HydrophobicContact CB-CD1 3.84Å; L372-F403 HydrophobicContact CB-CD2 3.89Å; L372-F403 HydrophobicContact CB-CE1 4.13Å; L372-F403 HydrophobicContact CB-CE2 4.18Å; L372-F403 HydrophobicContact CB-CG 3.7Å; L372-F403 HydrophobicContact CB-CZ 4.27Å; L372-F403 HydrophobicContact CD1-CB 4.12Å; L372-F403 HydrophobicContact CD1-CD2 3.77Å; L372-F403 HydrophobicContact CD1-CE2 4.42Å; L372-F403 HydrophobicContact CD1-CG 4.1Å; L372-F403 HydrophobicContact CG-CD2 4.49Å; L372-F403 HydrophobicContact CG-CG 4.48Å; L373-F403 HydrophobicContact CB-CE1 3.92Å; L373-F403 HydrophobicContact CB-CZ 4.19Å; L373-F403 HydrophobicContact CD1-CE1 4.09Å; V376-F403 HydrophobicContact CG2-CD1 4.46Å; F399-F403 WeakPolarHBondContact O-CB 3.43Å; F399-F403 PolarHBondContact O-N 2.96Å; L400-F403 PolarHBondContact O-N 2.91Å; L401-F403 PolarHBondContact O-N 3.24Å; F403-H405 VanDerWaalsContact C-N 3.28Å; F403-H405 PolarHBondContact O-N 2.86Å; F403-Y406 PolarHBondContact O-N 3.42Å; F403-Y406 VanDerWaalsContact O-N 3.13Å; F403-I407 HydrophobicContact CD2-CD1 3.97Å; F403-I407 HydrophobicContact CD2-CG1 3.91Å; F403-I407 HydrophobicContact CE2-CD1 3.63Å; F403-I407 HydrophobicContact CE2-CG1 4Å; F403-I407 WeakPolarHBondContact O-CG1 3.39Å; F403-I407 PolarHBondContact O-N 2.73Å; F403-W418 HydrophobicContact CB-CH2 4.14Å; F403-W418 HydrophobicContact CB-CZ3 4.31Å; F403-W418 AromaticContact CD1-CH2 3.89Å; F403-W418 HydrophobicContact CD1-CH2 3.89Å; F403-W418 AromaticContact CD1-CZ3 3.68Å; F403-W418 HydrophobicContact CD1-CZ3 3.68Å; F403-W418 HydrophobicContact CD2-CZ3 4.27Å; F403-W418 HydrophobicContact CE1-CZ3 4.09Å; F403-W418 HydrophobicContact CG-CH2 4.06Å; F403-W418 AromaticContact CG-CZ3 3.8Å; F403-W418 HydrophobicContact CG-CZ3 3.8Å; F403-L421 HydrophobicContact CE1-CD2 4.19Å; F403-L421 HydrophobicContact CE2-CD2 3.85Å; F403-L421 HydrophobicContact CZ-CD2 3.46Å; F403-L421 VanDerWaalsContact CZ-CD2 3.46Å; F403-L421 HydrophobicContact CZ-CG 4.31Å
404	E	97.3	Very high	95.6	Very high	73 Å²	73	58.8 Å²	58.8	34%	0.341	28%	0.275	S	S	.	.	H	α-helix	trans	-55.6	-46	175.1	178.8	169.3	-173.4	0	0	111.3	L400 L401 Y406 I407 N408 W418	L400-E404 PolarHBondContact O-N 3.23Å; L401-E404 PolarHBondContact O-N 3.3Å; E404-Y406 PolarHBondContact O-N 2.87Å; E404-I407 WeakPolarHBondContact O-CB 3.44Å; E404-I407 PolarHBondContact O-N 3.21Å; E404-N408 PolarHBondContact O-N 3.35Å; E404-N408 PolarHBondContact O-ND2 2.9Å; E404-N408 VanDerWaalsContact O-ND2 3.14Å; E404-W418 HydrophobicContact CB-CD2 4.42Å; E404-W418 HydrophobicContact CB-CZ2 3.96Å; E404-W418 HydrophobicContact CG-CG 4.48Å
405	H	97.5	Very high	94.9	Very high	19 Å²	19	56.6 Å²	56.6	9%	0.088	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-40.5	177.8	-68.6	178.6	0	0	0	112.1	P212 P214 E218 L401 F403 I407 N408 Y409	P212-H405 WeakPolarHBondContact CG-NE2 3.39Å; P212-H405 WeakPolarHBondContact O-CA 3.35Å; P214-H405 HydrophobicContact CB-CB 4.23Å; P214-H405 WeakPolarHBondContact CD-O 3.25Å; P214-H405 HydrophobicContact CG-CB 3.91Å; E218-H405 IonicContact OE1-CE1 3.5Å; E218-H405 PolarHBondContact OE1-CE1 3.14Å; E218-H405 VanDerWaalsContact OE1-CE1 3.25Å; E218-H405 IonicContact OE1-CG 3.79Å; E218-H405 IonicContact OE1-ND1 3.93Å; E218-H405 PolarHBondContact OE1-ND1 3.07Å; E218-H405 IonicContact OE2-CE1 3.43Å; E218-H405 IonicContact OE2-CG 3.94Å; E218-H405 IonicContact OE2-ND1 3.06Å; E218-H405 PolarHBondContact OE2-ND1 2.85Å; L401-H405 WeakPolarHBondContact CD1-NE2 3.49Å; L401-H405 PolarHBondContact O-N 2.94Å; F403-H405 VanDerWaalsContact C-N 3.28Å; F403-H405 PolarHBondContact O-N 2.86Å; H405-I407 PolarHBondContact O-N 3.05Å; H405-N408 WeakPolarHBondContact O-CB 3.38Å; H405-N408 PolarHBondContact O-N 2.93Å; H405-N408 VanDerWaalsContact O-N 3.16Å; H405-Y409 PolarHBondContact O-N 3.27Å
406	Y	98.2	Very high	94.4	Very high	19 Å²	19	62.2 Å²	62.2	8%	0.075	30%	0.301	C	S	.	.	H	α-helix	trans	-64.8	-40	175.7	-171.5	-101.9	0	0	0	111.6	W219 I222 D366 T368 E369 L372 A402 F403 E404 N408 Y409 R410	W219-Y406 AromaticContact CH2-CD2 3.72Å; W219-Y406 HydrophobicContact CH2-CD2 3.72Å; W219-Y406 AromaticContact CH2-CE2 3.67Å; W219-Y406 HydrophobicContact CH2-CE2 3.67Å; W219-Y406 AromaticContact CZ3-CD2 3.8Å; W219-Y406 HydrophobicContact CZ3-CD2 3.8Å; W219-Y406 AromaticContact CZ3-CE2 3.68Å; W219-Y406 HydrophobicContact CZ3-CE2 3.68Å; I222-Y406 HydrophobicContact CD1-CD2 4.09Å; I222-Y406 HydrophobicContact CD1-CG 4.4Å; I222-Y406 HydrophobicContact CG2-CD2 4.34Å; D366-Y406 PolarHBondContact OD2-OH 2.89Å; T368-Y406 HydrophobicContact CG2-CD1 3.81Å; T368-Y406 HydrophobicContact CG2-CD2 4.16Å; T368-Y406 HydrophobicContact CG2-CE1 3.48Å; T368-Y406 VanDerWaalsContact CG2-CE1 3.48Å; T368-Y406 HydrophobicContact CG2-CE2 3.85Å; T368-Y406 HydrophobicContact CG2-CG 4.13Å; T368-Y406 VanDerWaalsContact CG2-CZ 3.49Å; E369-Y406 HydrophobicContact CG-CD1 3.88Å; E369-Y406 HydrophobicContact CG-CE1 3.76Å; L372-Y406 HydrophobicContact CD1-CD1 4.45Å; L372-Y406 HydrophobicContact CD1-CG 4.45Å; A402-Y406 WeakPolarHBondContact O-CB 3.37Å; A402-Y406 PolarHBondContact O-N 2.66Å; F403-Y406 PolarHBondContact O-N 3.42Å; F403-Y406 VanDerWaalsContact O-N 3.13Å; E404-Y406 PolarHBondContact O-N 2.87Å; Y406-N408 VanDerWaalsContact C-N 3.27Å; Y406-N408 PolarHBondContact O-N 3.49Å; Y406-Y409 HydrophobicContact CD2-CD1 4.18Å; Y406-Y409 HydrophobicContact CE2-CD1 4.02Å; Y406-Y409 HydrophobicContact CE2-CE1 4.33Å; Y406-Y409 WeakPolarHBondContact O-CB 3.42Å; Y406-Y409 PolarHBondContact O-N 2.78Å; Y406-Y409 VanDerWaalsContact O-N 3.16Å; Y406-R410 HydrophobicContact CD1-CG 3.78Å; Y406-R410 HydrophobicContact CE1-CG 3.47Å; Y406-R410 VanDerWaalsContact CE1-CG 3.47Å; Y406-R410 HydrophobicContact CG-CG 4.49Å; Y406-R410 VanDerWaalsContact O-CG 3.28Å; Y406-R410 WeakPolarHBondContact O-CG 3.21Å; Y406-R410 PolarHBondContact O-N 3.19Å
407	I	96.1	Very high	94.2	Very high	9 Å²	9	61.1 Å²	61.1	5%	0.046	30%	0.296	C	S	.	.	H	α-helix	trans	-59.2	-40.4	172.6	-67.1	-42.4	0	0	0	111.2	E369 F403 E404 H405 Y409 R410 K411 F417 W418 L421	E369-I407 HydrophobicContact CG-CD1 3.91Å; E369-I407 WeakPolarHBondContact OE1-CD1 3.5Å; F403-I407 HydrophobicContact CD2-CD1 3.97Å; F403-I407 HydrophobicContact CD2-CG1 3.91Å; F403-I407 HydrophobicContact CE2-CD1 3.63Å; F403-I407 HydrophobicContact CE2-CG1 4Å; F403-I407 WeakPolarHBondContact O-CG1 3.39Å; F403-I407 PolarHBondContact O-N 2.73Å; E404-I407 WeakPolarHBondContact O-CB 3.44Å; E404-I407 PolarHBondContact O-N 3.21Å; H405-I407 PolarHBondContact O-N 3.05Å; I407-Y409 VanDerWaalsContact C-N 3.35Å; I407-R410 PolarHBondContact O-N 3.33Å; I407-K411 PolarHBondContact O-N 2.68Å; I407-F417 HydrophobicContact CD1-CD1 4.23Å; I407-F417 HydrophobicContact CD1-CE1 3.65Å; I407-F417 HydrophobicContact CG1-CD1 4.43Å; I407-F417 HydrophobicContact CG1-CE1 4.29Å; I407-F417 HydrophobicContact CG2-CD1 3.61Å; I407-F417 HydrophobicContact CG2-CE1 4.18Å; I407-W418 HydrophobicContact CG1-CE3 4.03Å; I407-W418 HydrophobicContact CG1-CZ3 4.46Å; I407-W418 HydrophobicContact CG2-CB 4.26Å; I407-L421 HydrophobicContact CD1-CD2 4.09Å; I407-L421 HydrophobicContact CG1-CD2 4.45Å
408	N	93.5	Very high	94	Very high	13 Å²	13	58.5 Å²	58.5	7%	0.07	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-39.5	176.9	-62.7	-31.5	0	0	0	111.9	K211 P212 E404 H405 Y406 K411	K211-N408 HydrophobicContact CB-CB 3.88Å; K211-N408 WeakPolarHBondContact CD-OD1 3.47Å; P212-N408 VanDerWaalsContact O-CB 3.3Å; P212-N408 WeakPolarHBondContact O-CB 3.34Å; P212-N408 PolarHBondContact O-ND2 2.87Å; E404-N408 PolarHBondContact O-N 3.35Å; E404-N408 PolarHBondContact O-ND2 2.9Å; E404-N408 VanDerWaalsContact O-ND2 3.14Å; H405-N408 WeakPolarHBondContact O-CB 3.38Å; H405-N408 PolarHBondContact O-N 2.93Å; H405-N408 VanDerWaalsContact O-N 3.16Å; Y406-N408 VanDerWaalsContact C-N 3.27Å; Y406-N408 PolarHBondContact O-N 3.49Å; N408-K411 VanDerWaalsContact O-CG 3.27Å; N408-K411 WeakPolarHBondContact O-CG 3.27Å; N408-K411 PolarHBondContact O-N 3Å
409	Y	94.7	Very high	93.9	Very high	109 Å²	109	60 Å²	60	43%	0.427	29%	0.288	S	S	.	.	H	α-helix	trans	-64.6	-41.7	173.1	167.7	-101	0	0	0	112.5	W219 H405 Y406 I407 K411	W219-Y409 AromaticContact CH2-CD1 3.79Å; W219-Y409 HydrophobicContact CH2-CD1 3.79Å; W219-Y409 AromaticContact CH2-CE1 3.79Å; W219-Y409 HydrophobicContact CH2-CE1 3.79Å; W219-Y409 HydrophobicContact CH2-CG 4.23Å; W219-Y409 HydrophobicContact CZ2-CD1 4.15Å; W219-Y409 HydrophobicContact CZ2-CD2 4.24Å; W219-Y409 HydrophobicContact CZ2-CE1 4.28Å; W219-Y409 HydrophobicContact CZ2-CE2 4.38Å; W219-Y409 HydrophobicContact CZ2-CG 4.12Å; H405-Y409 PolarHBondContact O-N 3.27Å; Y406-Y409 HydrophobicContact CD2-CD1 4.18Å; Y406-Y409 HydrophobicContact CE2-CD1 4.02Å; Y406-Y409 HydrophobicContact CE2-CE1 4.33Å; Y406-Y409 WeakPolarHBondContact O-CB 3.42Å; Y406-Y409 PolarHBondContact O-N 2.78Å; Y406-Y409 VanDerWaalsContact O-N 3.16Å; I407-Y409 VanDerWaalsContact C-N 3.35Å; Y409-K411 PolarHBondContact O-N 2.68Å
410	R	94.4	Very high	93.7	Very high	102 Å²	102	63.5 Å²	63.5	39%	0.385	30%	0.303	S	S	.	.	H	α-helix	trans	-64.3	-23.9	179.2	-72.6	-70.4	-66.6	153.8	-2.6	113.8	D366 Y406 I407 H412	D366-R410 WeakPolarHBondContact OD2-CD 3.34Å; D366-R410 IonicContact OD2-CZ 3.86Å; D366-R410 IonicContact OD2-NE 3.76Å; D366-R410 PolarHBondContact OD2-NE 2.75Å; Y406-R410 HydrophobicContact CD1-CG 3.78Å; Y406-R410 HydrophobicContact CE1-CG 3.47Å; Y406-R410 VanDerWaalsContact CE1-CG 3.47Å; Y406-R410 HydrophobicContact CG-CG 4.49Å; Y406-R410 VanDerWaalsContact O-CG 3.28Å; Y406-R410 WeakPolarHBondContact O-CG 3.21Å; Y406-R410 PolarHBondContact O-N 3.19Å; I407-R410 PolarHBondContact O-N 3.33Å; R410-H412 VanDerWaalsContact C-N 3.3Å; R410-H412 PolarHBondContact O-N 3.21Å
411	K	88.2	Confident	93.7	Very high	135 Å²	135	61.4 Å²	61.4	59%	0.587	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	44.3	174.7	-67	170.1	-178.6	150.3	0	112.9	E213 I407 N408 Y409 H413	E213-K411 VanDerWaalsContact OE1-CE 3.31Å; E213-K411 WeakPolarHBondContact OE1-CE 3.48Å; E213-K411 IonicContact OE1-NZ 3.33Å; E213-K411 PolarHBondContact OE1-NZ 3.47Å; I407-K411 PolarHBondContact O-N 2.68Å; N408-K411 VanDerWaalsContact O-CG 3.27Å; N408-K411 WeakPolarHBondContact O-CG 3.27Å; N408-K411 PolarHBondContact O-N 3Å; Y409-K411 PolarHBondContact O-N 2.68Å; K411-H413 PolarHBondContact O-N 3.37Å
412	H	90.5	Very high	93.6	Very high	41 Å²	41	60.3 Å²	60.3	19%	0.19	29%	0.287	C	S	.	.			trans	-49.3	135.4	174.7	-78.5	-77	0	0	0	112.2	E369 R410 V414 F417	E369-H412 IonicContact OE1-CD2 2.84Å; E369-H412 IonicContact OE1-CE1 2.74Å; E369-H412 IonicContact OE1-NE2 3.46Å; E369-H412 PolarHBondContact OE1-NE2 2.84Å; E369-H412 IonicContact OE2-CE1 2.95Å; E369-H412 IonicContact OE2-NE2 2.77Å; R410-H412 VanDerWaalsContact C-N 3.3Å; R410-H412 PolarHBondContact O-N 3.21Å; H412-V414 VanDerWaalsContact C-N 3.26Å; H412-V414 PolarHBondContact O-N 2.78Å; H412-F417 HydrophobicContact CB-CB 4.07Å; H412-F417 HydrophobicContact CB-CD1 4.23Å; H412-F417 HydrophobicContact CB-CD2 3.71Å; H412-F417 HydrophobicContact CB-CE2 4.12Å; H412-F417 HydrophobicContact CB-CG 3.73Å; H412-F417 AromaticContact CD2-CD1 3.7Å; H412-F417 AromaticContact CD2-CE1 3.41Å; H412-F417 VanDerWaalsContact CD2-CE1 3.41Å; H412-F417 WeakPolarHBondContact CD2-CE1 3.25Å; H412-F417 AromaticContact CD2-CE2 3.91Å; H412-F417 AromaticContact CD2-CZ 3.51Å; H412-F417 AromaticContact CE1-CE2 3.65Å; H412-F417 AromaticContact CE1-CZ 3.41Å; H412-F417 VanDerWaalsContact CE1-CZ 3.41Å; H412-F417 WeakPolarHBondContact CE1-CZ 3.45Å; H412-F417 AromaticContact CG-CD1 3.99Å; H412-F417 AromaticContact CG-CD2 3.68Å; H412-F417 AromaticContact CG-CE1 3.9Å; H412-F417 AromaticContact CG-CE2 3.58Å; H412-F417 AromaticContact CG-CG 3.87Å; H412-F417 AromaticContact CG-CZ 3.68Å; H412-F417 AromaticContact ND1-CD2 3.95Å; H412-F417 AromaticContact ND1-CE2 3.45Å; H412-F417 WeakPolarHBondContact ND1-CE2 3.41Å; H412-F417 AromaticContact ND1-CZ 3.67Å; H412-F417 AromaticContact NE2-CE1 3.55Å; H412-F417 AromaticContact NE2-CE2 3.93Å; H412-F417 AromaticContact NE2-CZ 3.31Å; H412-F417 VanDerWaalsContact NE2-CZ 3.31Å; H412-F417 WeakPolarHBondContact NE2-CZ 3.32Å
413	H	86	Confident	93.6	Very high	195 Å²	195	66.1 Å²	66.1	90%	0.903	32%	0.315	S	S	*	.	S	Bend	trans	-73.6	-18.9	-179.3	-62.8	-59	0	0	0	113.5	K411 T415	K411-H413 PolarHBondContact O-N 3.37Å; H413-T415 PolarHBondContact O-N 3.12Å
414	V	86	Confident	93.5	Very high	64 Å²	64	67.2 Å²	67.2	39%	0.388	32%	0.32	S	S	.	.	S	Bend	trans	-71.5	128	-178.4	-179.7	0	0	0	0	110	H412 F417 K420	H412-V414 VanDerWaalsContact C-N 3.26Å; H412-V414 PolarHBondContact O-N 2.78Å; V414-F417 HydrophobicContact CB-CB 4.38Å; V414-F417 HydrophobicContact CB-CD2 3.97Å; V414-F417 HydrophobicContact CG2-CD2 4.36Å; V414-F417 PolarHBondContact O-N 2.87Å; V414-K420 HydrophobicContact CG1-CD 4.19Å
415	T	84.8	Confident	93.6	Very high	97 Å²	97	64.9 Å²	64.9	60%	0.595	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	137.8	174.5	54.8	0	0	0	0	111	H413 F417 K420	H413-T415 PolarHBondContact O-N 3.12Å; T415-F417 PolarHBondContact O-N 3.23Å; T415-K420 WeakPolarHBondContact O-CE 3.47Å; T415-K420 PolarHBondContact O-NZ 3.32Å
416	H	88.8	Confident	93.5	Very high	143 Å²	143	68.1 Å²	68.1	66%	0.662	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	38	-178.4	-49.8	-70	0	0	0	113.2	W418 P419 K420	H416-W418 PolarHBondContact O-N 3.47Å; H416-P419 HydrophobicContact CB-CG 4.44Å; H416-P419 WeakPolarHBondContact O-CD 3.28Å; H416-K420 WeakPolarHBondContact O-CG 3.37Å; H416-K420 PolarHBondContact O-N 2.89Å; H416-K420 VanDerWaalsContact O-N 3.17Å
417	F	93.4	Very high	93.5	Very high	9 Å²	9	70.1 Å²	70.1	4%	0.039	34%	0.344	C	S	.	.	H	α-helix	trans	-53.3	-49.2	-179.4	-175.8	-88.7	0	0	0	112.7	F363 L365 I407 H412 V414 T415 K420 L421	F363-F417 HydrophobicContact CB-CE2 4.18Å; F363-F417 HydrophobicContact CB-CZ 4.45Å; F363-F417 HydrophobicContact CD1-CD2 4.17Å; F363-F417 AromaticContact CD1-CE2 3.56Å; F363-F417 HydrophobicContact CD1-CE2 3.56Å; F363-F417 AromaticContact CD1-CZ 3.81Å; F363-F417 HydrophobicContact CD1-CZ 3.81Å; F363-F417 HydrophobicContact CE1-CE2 4.37Å; F363-F417 HydrophobicContact CG-CE2 4.2Å; L365-F417 HydrophobicContact CD2-CZ 3.82Å; I407-F417 HydrophobicContact CD1-CD1 4.23Å; I407-F417 HydrophobicContact CD1-CE1 3.65Å; I407-F417 HydrophobicContact CG1-CD1 4.43Å; I407-F417 HydrophobicContact CG1-CE1 4.29Å; I407-F417 HydrophobicContact CG2-CD1 3.61Å; I407-F417 HydrophobicContact CG2-CE1 4.18Å; H412-F417 HydrophobicContact CB-CB 4.07Å; H412-F417 HydrophobicContact CB-CD1 4.23Å; H412-F417 HydrophobicContact CB-CD2 3.71Å; H412-F417 HydrophobicContact CB-CE2 4.12Å; H412-F417 HydrophobicContact CB-CG 3.73Å; H412-F417 AromaticContact CD2-CD1 3.7Å; H412-F417 AromaticContact CD2-CE1 3.41Å; H412-F417 VanDerWaalsContact CD2-CE1 3.41Å; H412-F417 WeakPolarHBondContact CD2-CE1 3.25Å; H412-F417 AromaticContact CD2-CE2 3.91Å; H412-F417 AromaticContact CD2-CZ 3.51Å; H412-F417 AromaticContact CE1-CE2 3.65Å; H412-F417 AromaticContact CE1-CZ 3.41Å; H412-F417 VanDerWaalsContact CE1-CZ 3.41Å; H412-F417 WeakPolarHBondContact CE1-CZ 3.45Å; H412-F417 AromaticContact CG-CD1 3.99Å; H412-F417 AromaticContact CG-CD2 3.68Å; H412-F417 AromaticContact CG-CE1 3.9Å; H412-F417 AromaticContact CG-CE2 3.58Å; H412-F417 AromaticContact CG-CG 3.87Å; H412-F417 AromaticContact CG-CZ 3.68Å; H412-F417 AromaticContact ND1-CD2 3.95Å; H412-F417 AromaticContact ND1-CE2 3.45Å; H412-F417 WeakPolarHBondContact ND1-CE2 3.41Å; H412-F417 AromaticContact ND1-CZ 3.67Å; H412-F417 AromaticContact NE2-CE1 3.55Å; H412-F417 AromaticContact NE2-CE2 3.93Å; H412-F417 AromaticContact NE2-CZ 3.31Å; H412-F417 VanDerWaalsContact NE2-CZ 3.31Å; H412-F417 WeakPolarHBondContact NE2-CZ 3.32Å; V414-F417 HydrophobicContact CB-CB 4.38Å; V414-F417 HydrophobicContact CB-CD2 3.97Å; V414-F417 HydrophobicContact CG2-CD2 4.36Å; V414-F417 PolarHBondContact O-N 2.87Å; T415-F417 PolarHBondContact O-N 3.23Å; F417-K420 WeakPolarHBondContact O-CB 3.23Å; F417-K420 PolarHBondContact O-N 2.86Å; F417-L421 HydrophobicContact CE1-CB 4.41Å; F417-L421 HydrophobicContact CE1-CD2 3.76Å; F417-L421 HydrophobicContact CZ-CD2 4.41Å; F417-L421 WeakPolarHBondContact O-CB 3.23Å; F417-L421 PolarHBondContact O-N 3.41Å
418	W	94.6	Very high	93.7	Very high	31 Å²	31	69.7 Å²	69.7	12%	0.117	34%	0.342	C	S	.	.	H	α-helix	trans	-58.5	-54.7	-178.1	172.7	-129.3	0	0	0	113.5	L400 F403 E404 I407 H416 K420 L421 L422	L400-W418 HydrophobicContact CD2-CH2 4.12Å; L400-W418 HydrophobicContact CD2-CZ2 4.36Å; F403-W418 HydrophobicContact CB-CH2 4.14Å; F403-W418 HydrophobicContact CB-CZ3 4.31Å; F403-W418 AromaticContact CD1-CH2 3.89Å; F403-W418 HydrophobicContact CD1-CH2 3.89Å; F403-W418 AromaticContact CD1-CZ3 3.68Å; F403-W418 HydrophobicContact CD1-CZ3 3.68Å; F403-W418 HydrophobicContact CD2-CZ3 4.27Å; F403-W418 HydrophobicContact CE1-CZ3 4.09Å; F403-W418 HydrophobicContact CG-CH2 4.06Å; F403-W418 AromaticContact CG-CZ3 3.8Å; F403-W418 HydrophobicContact CG-CZ3 3.8Å; E404-W418 HydrophobicContact CB-CD2 4.42Å; E404-W418 HydrophobicContact CB-CZ2 3.96Å; E404-W418 HydrophobicContact CG-CG 4.48Å; I407-W418 HydrophobicContact CG1-CE3 4.03Å; I407-W418 HydrophobicContact CG1-CZ3 4.46Å; I407-W418 HydrophobicContact CG2-CB 4.26Å; H416-W418 PolarHBondContact O-N 3.47Å; W418-K420 VanDerWaalsContact C-N 3.29Å; W418-K420 PolarHBondContact O-N 2.88Å; W418-L421 PolarHBondContact O-N 3.15Å; W418-L421 VanDerWaalsContact O-N 3.09Å; W418-L422 HydrophobicContact CD2-CD1 4.14Å; W418-L422 HydrophobicContact CD2-CG 4.05Å; W418-L422 HydrophobicContact CE3-CG 4.17Å; W418-L422 HydrophobicContact CH2-CD1 4.38Å; W418-L422 HydrophobicContact CH2-CD2 3.5Å; W418-L422 VanDerWaalsContact CH2-CD2 3.5Å; W418-L422 HydrophobicContact CH2-CG 3.94Å; W418-L422 HydrophobicContact CZ2-CD1 3.74Å; W418-L422 HydrophobicContact CZ2-CD2 3.65Å; W418-L422 HydrophobicContact CZ2-CG 3.8Å; W418-L422 HydrophobicContact CZ3-CD2 3.97Å; W418-L422 HydrophobicContact CZ3-CG 4.11Å; W418-L422 PolarHBondContact O-N 3.21Å
419	P	95.2	Very high	93.9	Very high	70 Å²	70	72 Å²	72	46%	0.455	35%	0.349	S	S	.	.	H	α-helix	trans	-55.1	-40.9	173.4	-28.5	33.7	0	0	0	114	H416 L421 L422 M423	H416-P419 HydrophobicContact CB-CG 4.44Å; H416-P419 WeakPolarHBondContact O-CD 3.28Å; P419-L421 VanDerWaalsContact C-N 3.32Å; P419-L421 PolarHBondContact O-N 2.9Å; P419-L422 PolarHBondContact O-N 3.07Å; P419-M423 WeakPolarHBondContact O-CG 3.38Å; P419-M423 PolarHBondContact O-N 2.85Å; P419-M423 VanDerWaalsContact O-N 3.14Å
420	K	96	Very high	94	Very high	75 Å²	75	72.1 Å²	72.1	33%	0.326	36%	0.355	S	S	.	.	H	α-helix	trans	-65	-35.9	178.1	-73.5	173.3	176.1	167.1	0	112.3	F363 V414 T415 H416 F417 W418	F363-K420 HydrophobicContact CE1-CB 4.05Å; F363-K420 HydrophobicContact CZ-CB 3.92Å; V414-K420 HydrophobicContact CG1-CD 4.19Å; T415-K420 WeakPolarHBondContact O-CE 3.47Å; T415-K420 PolarHBondContact O-NZ 3.32Å; H416-K420 WeakPolarHBondContact O-CG 3.37Å; H416-K420 PolarHBondContact O-N 2.89Å; H416-K420 VanDerWaalsContact O-N 3.17Å; F417-K420 WeakPolarHBondContact O-CB 3.23Å; F417-K420 PolarHBondContact O-N 2.86Å; W418-K420 VanDerWaalsContact C-N 3.29Å; W418-K420 PolarHBondContact O-N 2.88Å
421	L	97.1	Very high	94.2	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-71.4	-40.9	176.8	-176.1	56.9	0	0	0	111.2	F363 L365 F403 I407 F417 W418 P419 M423 K424	F363-L421 HydrophobicContact CD1-CB 4.46Å; F363-L421 HydrophobicContact CD1-CD1 4.13Å; F363-L421 HydrophobicContact CE1-CB 4.06Å; F363-L421 HydrophobicContact CE1-CD1 4.27Å; L365-L421 HydrophobicContact CD1-CD1 4.2Å; L365-L421 HydrophobicContact CD2-CD1 4.09Å; L365-L421 HydrophobicContact CD2-CD2 4.3Å; F403-L421 HydrophobicContact CE1-CD2 4.19Å; F403-L421 HydrophobicContact CE2-CD2 3.85Å; F403-L421 HydrophobicContact CZ-CD2 3.46Å; F403-L421 VanDerWaalsContact CZ-CD2 3.46Å; F403-L421 HydrophobicContact CZ-CG 4.31Å; I407-L421 HydrophobicContact CD1-CD2 4.09Å; I407-L421 HydrophobicContact CG1-CD2 4.45Å; F417-L421 HydrophobicContact CE1-CB 4.41Å; F417-L421 HydrophobicContact CE1-CD2 3.76Å; F417-L421 HydrophobicContact CZ-CD2 4.41Å; F417-L421 WeakPolarHBondContact O-CB 3.23Å; F417-L421 PolarHBondContact O-N 3.41Å; W418-L421 PolarHBondContact O-N 3.15Å; W418-L421 VanDerWaalsContact O-N 3.09Å; P419-L421 VanDerWaalsContact C-N 3.32Å; P419-L421 PolarHBondContact O-N 2.9Å; L421-M423 VanDerWaalsContact C-N 3.25Å; L421-M423 PolarHBondContact O-N 3.05Å; L421-K424 HydrophobicContact CD1-CG 4.39Å; L421-K424 WeakPolarHBondContact O-CA 3.48Å; L421-K424 WeakPolarHBondContact O-CB 3.41Å; L421-K424 PolarHBondContact O-N 3.33Å
422	L	97.1	Very high	94.6	Very high	60 Å²	60	61.7 Å²	61.7	31%	0.314	32%	0.317	S	S	.	.	H	α-helix	trans	-59.1	-35.4	173.6	-74.7	178.6	0	0	0	112.6	L400 W418 P419 K424 V425	L400-L422 HydrophobicContact CD2-CD2 3.98Å; W418-L422 HydrophobicContact CD2-CD1 4.14Å; W418-L422 HydrophobicContact CD2-CG 4.05Å; W418-L422 HydrophobicContact CE3-CG 4.17Å; W418-L422 HydrophobicContact CH2-CD1 4.38Å; W418-L422 HydrophobicContact CH2-CD2 3.5Å; W418-L422 VanDerWaalsContact CH2-CD2 3.5Å; W418-L422 HydrophobicContact CH2-CG 3.94Å; W418-L422 HydrophobicContact CZ2-CD1 3.74Å; W418-L422 HydrophobicContact CZ2-CD2 3.65Å; W418-L422 HydrophobicContact CZ2-CG 3.8Å; W418-L422 HydrophobicContact CZ3-CD2 3.97Å; W418-L422 HydrophobicContact CZ3-CG 4.11Å; W418-L422 PolarHBondContact O-N 3.21Å; P419-L422 PolarHBondContact O-N 3.07Å; L422-K424 PolarHBondContact O-N 3.11Å; L422-V425 VanDerWaalsContact O-CB 3.23Å; L422-V425 WeakPolarHBondContact O-CB 3.41Å; L422-V425 PolarHBondContact O-N 3.31Å
423	M	97.4	Very high	94.8	Very high	122 Å²	122	62.6 Å²	62.6	60%	0.601	33%	0.331	S	S	*	.	H	α-helix	trans	-59.9	-26.3	173.1	-67.1	178.7	71.5	0	0	112.9	P419 L421 V425 T426 D427	P419-M423 WeakPolarHBondContact O-CG 3.38Å; P419-M423 PolarHBondContact O-N 2.85Å; P419-M423 VanDerWaalsContact O-N 3.14Å; L421-M423 VanDerWaalsContact C-N 3.25Å; L421-M423 PolarHBondContact O-N 3.05Å; M423-V425 VanDerWaalsContact C-N 3.29Å; M423-V425 PolarHBondContact O-N 3Å; M423-T426 WeakPolarHBondContact O-CB 3.33Å; M423-T426 PolarHBondContact O-N 3.06Å; M423-D427 PolarHBondContact O-N 2.98Å; M423-D427 VanDerWaalsContact O-N 3.1Å
424	K	97.8	Very high	95.3	Very high	25 Å²	25	56 Å²	56	11%	0.109	31%	0.306	C	S	.	.	H	α-helix	trans	-69.5	-27	174.7	-56.1	-69.6	138	-156.6	0	112.3	L356 S359 L360 F363 L421 L422 T426 D427 L428	L356-K424 HydrophobicContact CD1-CB 4.33Å; L356-K424 HydrophobicContact CD1-CD 3.57Å; L356-K424 HydrophobicContact CD1-CG 4.49Å; S359-K424 VanDerWaalsContact OG-CE 3.29Å; S359-K424 WeakPolarHBondContact OG-CE 3.49Å; S359-K424 PolarHBondContact OG-NZ 2.75Å; L360-K424 HydrophobicContact CD2-CB 4.42Å; L360-K424 HydrophobicContact CD2-CD 3.97Å; L360-K424 HydrophobicContact CD2-CG 3.86Å; L360-K424 HydrophobicContact CG-CD 4.46Å; F363-K424 HydrophobicContact CZ-CG 4.39Å; L421-K424 HydrophobicContact CD1-CG 4.39Å; L421-K424 WeakPolarHBondContact O-CA 3.48Å; L421-K424 WeakPolarHBondContact O-CB 3.41Å; L421-K424 PolarHBondContact O-N 3.33Å; L422-K424 PolarHBondContact O-N 3.11Å; K424-T426 VanDerWaalsContact C-N 3.32Å; K424-D427 IonicContact NZ-OD2 3.96Å; K424-D427 PolarHBondContact NZ-OD2 2.97Å; K424-D427 PolarHBondContact O-N 2.64Å; K424-L428 WeakPolarHBondContact O-CB 3.24Å; K424-L428 WeakPolarHBondContact O-CD1 3.23Å; K424-L428 VanDerWaalsContact O-CG 3.28Å; K424-L428 WeakPolarHBondContact O-CG 3.37Å; K424-L428 PolarHBondContact O-N 3.26Å
425	V	97.8	Very high	95.9	Very high	23 Å²	23	53.1 Å²	53.1	14%	0.139	29%	0.289	C	S	.	.	H	α-helix	trans	-60.6	-47.3	169.7	-179	0	0	0	0	109	L373 L377 L422 M423 D427 L428 R429	L373-V425 HydrophobicContact CD1-CG2 3.44Å; L373-V425 VanDerWaalsContact CD1-CG2 3.44Å; L377-V425 HydrophobicContact CD2-CG1 3.92Å; L422-V425 VanDerWaalsContact O-CB 3.23Å; L422-V425 WeakPolarHBondContact O-CB 3.41Å; L422-V425 PolarHBondContact O-N 3.31Å; M423-V425 VanDerWaalsContact C-N 3.29Å; M423-V425 PolarHBondContact O-N 3Å; V425-D427 PolarHBondContact O-N 3.21Å; V425-L428 WeakPolarHBondContact O-CB 3.42Å; V425-L428 PolarHBondContact O-N 3.49Å; V425-L428 VanDerWaalsContact O-N 3.15Å; V425-R429 HydrophobicContact CG1-CG 4.31Å; V425-R429 VanDerWaalsContact O-CG 3.25Å; V425-R429 WeakPolarHBondContact O-CG 3.43Å; V425-R429 PolarHBondContact O-N 3.24Å
426	T	97	Very high	96.4	Very high	87 Å²	87	51.2 Å²	51.2	53%	0.534	28%	0.283	S	S	.	.	H	α-helix	trans	-59.5	-46	177.2	-50.3	0	0	0	0	112	M423 K424 L428 R429 M430	M423-T426 WeakPolarHBondContact O-CB 3.33Å; M423-T426 PolarHBondContact O-N 3.06Å; K424-T426 VanDerWaalsContact C-N 3.32Å; T426-L428 VanDerWaalsContact C-N 3.26Å; T426-L428 PolarHBondContact O-N 3.19Å; T426-R429 PolarHBondContact O-N 3.26Å; T426-M430 WeakPolarHBondContact O-CG 3.16Å; T426-M430 PolarHBondContact O-N 2.9Å
427	D	98	Very high	96.6	Very high	62 Å²	62	47.7 Å²	47.7	33%	0.332	27%	0.274	S	S	.	.	H	α-helix	trans	-55.5	-43.6	175.7	-65.4	-22.4	0	0	0	111	L356 M423 K424 V425 M430 I431	L356-D427 HydrophobicContact CD1-CB 4.29Å; M423-D427 PolarHBondContact O-N 2.98Å; M423-D427 VanDerWaalsContact O-N 3.1Å; K424-D427 IonicContact NZ-OD2 3.96Å; K424-D427 PolarHBondContact NZ-OD2 2.97Å; K424-D427 PolarHBondContact O-N 2.64Å; V425-D427 PolarHBondContact O-N 3.21Å; D427-M430 PolarHBondContact O-N 2.92Å; D427-I431 WeakPolarHBondContact O-CG1 3.43Å; D427-I431 PolarHBondContact O-N 3.47Å
428	L	98.6	Very high	96.6	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.2	-42.1	178.8	-74.6	165.8	0	0	0	113	E311 L315 L356 L373 L377 K424 V425 T426 M430 I431 G432	E311-L428 HydrophobicContact CB-CB 4.43Å; E311-L428 WeakPolarHBondContact O-CD2 3.36Å; L315-L428 HydrophobicContact CB-CD1 4.01Å; L315-L428 HydrophobicContact CB-CD2 3.96Å; L315-L428 HydrophobicContact CD1-CD1 4.2Å; L315-L428 HydrophobicContact CD2-CD1 4.35Å; L315-L428 HydrophobicContact CG-CD1 4.41Å; L356-L428 HydrophobicContact CD2-CD1 4.48Å; L356-L428 HydrophobicContact CD2-CD2 3.32Å; L356-L428 HydrophobicContact CD2-CG 3.8Å; L373-L428 HydrophobicContact CD2-CD1 4.25Å; L377-L428 HydrophobicContact CD1-CB 4.44Å; L377-L428 HydrophobicContact CD1-CD1 3.69Å; L377-L428 HydrophobicContact CD2-CB 4.06Å; K424-L428 WeakPolarHBondContact O-CB 3.24Å; K424-L428 WeakPolarHBondContact O-CD1 3.23Å; K424-L428 VanDerWaalsContact O-CG 3.28Å; K424-L428 WeakPolarHBondContact O-CG 3.37Å; K424-L428 PolarHBondContact O-N 3.26Å; V425-L428 WeakPolarHBondContact O-CB 3.42Å; V425-L428 PolarHBondContact O-N 3.49Å; V425-L428 VanDerWaalsContact O-N 3.15Å; T426-L428 VanDerWaalsContact C-N 3.26Å; T426-L428 PolarHBondContact O-N 3.19Å; L428-M430 VanDerWaalsContact C-N 3.28Å; L428-M430 PolarHBondContact O-N 3.01Å; L428-I431 HydrophobicContact CD2-CD1 4.4Å; L428-I431 WeakPolarHBondContact O-CB 3.33Å; L428-I431 PolarHBondContact O-N 3.11Å; L428-G432 PolarHBondContact O-N 3.27Å
429	R	97.9	Very high	96.6	Very high	61 Å²	61	47.8 Å²	47.8	23%	0.23	27%	0.274	C	S	.	.	H	α-helix	trans	-60.5	-40.2	174.5	-60.6	-75.2	-74.4	105.7	-1.9	110.8	E311 D382 R383 V425 T426 G432 A433	E311-R429 IonicContact OE1-CZ 3.72Å; E311-R429 IonicContact OE1-NH1 2.88Å; E311-R429 PolarHBondContact OE1-NH1 3.17Å; D382-R429 VanDerWaalsContact CG-NH2 3.33Å; D382-R429 IonicContact OD1-NH2 3.27Å; D382-R429 PolarHBondContact OD1-NH2 3.23Å; D382-R429 IonicContact OD2-CZ 3.67Å; D382-R429 IonicContact OD2-NH2 3.59Å; D382-R429 PolarHBondContact OD2-NH2 3.33Å; R383-R429 VanDerWaalsContact NH2-NH1 3.19Å; V425-R429 HydrophobicContact CG1-CG 4.31Å; V425-R429 VanDerWaalsContact O-CG 3.25Å; V425-R429 WeakPolarHBondContact O-CG 3.43Å; V425-R429 PolarHBondContact O-N 3.24Å; T426-R429 PolarHBondContact O-N 3.26Å; R429-G432 PolarHBondContact O-N 2.81Å; R429-A433 PolarHBondContact O-N 2.95Å; R429-A433 VanDerWaalsContact O-N 3.12Å
430	M	97.3	Very high	96.5	Very high	112 Å²	112	49.8 Å²	49.8	55%	0.552	28%	0.281	S	S	*	.	H	α-helix	trans	-65.7	-40.5	175.4	-69.3	-56.2	-58.3	0	0	112.4	T426 D427 L428 G432 A433 C434	T426-M430 WeakPolarHBondContact O-CG 3.16Å; T426-M430 PolarHBondContact O-N 2.9Å; D427-M430 PolarHBondContact O-N 2.92Å; L428-M430 VanDerWaalsContact C-N 3.28Å; L428-M430 PolarHBondContact O-N 3.01Å; M430-G432 VanDerWaalsContact C-N 3.31Å; M430-G432 PolarHBondContact O-N 3.25Å; M430-A433 PolarHBondContact O-N 3.41Å; M430-C434 WeakPolarHBondContact O-CB 3.19Å; M430-C434 PolarHBondContact O-N 2.99Å; M430-C434 PolarHBondContact O-SG 2.99Å
431	I	98.3	Very high	96.3	Very high	5 Å²	5	51 Å²	51	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-59	-44.1	173.6	-72.6	165	0	0	0	110.9	S314 V349 A352 I353 L356 D427 L428 A433 C434 H435	S314-I431 VanDerWaalsContact OG-CG2 3.27Å; S314-I431 WeakPolarHBondContact OG-CG2 3.49Å; V349-I431 HydrophobicContact CG1-CG2 4Å; A352-I431 HydrophobicContact CB-CD1 4.19Å; A352-I431 HydrophobicContact CB-CG1 3.7Å; I353-I431 HydrophobicContact CG1-CD1 4.27Å; I353-I431 HydrophobicContact CG1-CG2 4.11Å; L356-I431 HydrophobicContact CB-CD1 4.42Å; L356-I431 HydrophobicContact CD2-CD1 3.98Å; D427-I431 WeakPolarHBondContact O-CG1 3.43Å; D427-I431 PolarHBondContact O-N 3.47Å; L428-I431 HydrophobicContact CD2-CD1 4.4Å; L428-I431 WeakPolarHBondContact O-CB 3.33Å; L428-I431 PolarHBondContact O-N 3.11Å; I431-A433 PolarHBondContact O-N 3.31Å; I431-C434 PolarHBondContact O-N 2.82Å; I431-H435 WeakPolarHBondContact O-CB 3.34Å; I431-H435 PolarHBondContact O-N 3.23Å
432	G	96.9	Very high	96.1	Very high	13 Å²	13	51.2 Å²	51.2	13%	0.134	29%	0.288	C	S	.	.	H	α-helix	trans	-57.6	-47.4	175.6	0	0	0	0	0	112.8	L428 R429 M430 H435 A436	L428-G432 PolarHBondContact O-N 3.27Å; R429-G432 PolarHBondContact O-N 2.81Å; M430-G432 VanDerWaalsContact C-N 3.31Å; M430-G432 PolarHBondContact O-N 3.25Å; G432-H435 PolarHBondContact O-N 3.35Å; G432-A436 PolarHBondContact O-N 3.27Å; G432-A436 VanDerWaalsContact O-N 3.12Å
433	A	95.6	Very high	95.8	Very high	60 Å²	60	51.9 Å²	51.9	50%	0.496	29%	0.288	S	S	.	.	H	α-helix	trans	-64.7	-43.7	177.7	0	0	0	0	0	112.8	R429 M430 I431 H435 A436 S437	R429-A433 PolarHBondContact O-N 2.95Å; R429-A433 VanDerWaalsContact O-N 3.12Å; M430-A433 PolarHBondContact O-N 3.41Å; I431-A433 PolarHBondContact O-N 3.31Å; A433-H435 VanDerWaalsContact C-N 3.3Å; A433-H435 PolarHBondContact O-N 3.48Å; A433-A436 PolarHBondContact O-N 3.03Å; A433-S437 PolarHBondContact O-N 3.13Å
434	C	96.3	Very high	95.5	Very high	55 Å²	55	52.1 Å²	52.1	37%	0.372	30%	0.297	S	S	.	.	H	α-helix	trans	-62.5	-38.3	176.1	-72.4	0	0	0	0	111.9	V349 M430 I431 S437 R438	V349-C434 HydrophobicContact CG2-CB 4.09Å; M430-C434 WeakPolarHBondContact O-CB 3.19Å; M430-C434 PolarHBondContact O-N 2.99Å; M430-C434 PolarHBondContact O-SG 2.99Å; I431-C434 PolarHBondContact O-N 2.82Å; C434-S437 PolarHBondContact O-N 3.22Å; C434-R438 WeakPolarHBondContact O-CB 3.42Å; C434-R438 PolarHBondContact O-N 3.16Å
435	H	97.2	Very high	95.2	Very high	5 Å²	5	54 Å²	54	2%	0.023	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-44.1	175.6	175.8	-95.5	0	0	0	112.4	M310 V349 I431 G432 A433 S437 R438 F439 F459	M310-H435 HydrophobicContact CB-CB 4.49Å; M310-H435 HydrophobicContact CE-CB 4.45Å; M310-H435 HydrophobicContact CG-CB 3.67Å; M310-H435 HydrophobicContact SD-CB 4.32Å; M310-H435 VanDerWaalsContact SD-CD2 3.57Å; V349-H435 HydrophobicContact CG1-CB 4.38Å; V349-H435 HydrophobicContact CG2-CB 4.43Å; I431-H435 WeakPolarHBondContact O-CB 3.34Å; I431-H435 PolarHBondContact O-N 3.23Å; G432-H435 PolarHBondContact O-N 3.35Å; A433-H435 VanDerWaalsContact C-N 3.3Å; A433-H435 PolarHBondContact O-N 3.48Å; H435-S437 VanDerWaalsContact C-N 3.29Å; H435-S437 PolarHBondContact O-N 3.21Å; H435-R438 PolarHBondContact O-N 3.36Å; H435-F439 WeakPolarHBondContact O-CB 3.2Å; H435-F439 PolarHBondContact O-N 3.03Å; H435-F459 AromaticContact CE1-CD1 3.65Å; H435-F459 AromaticContact CE1-CE1 3.87Å; H435-F459 AromaticContact CE1-CG 3.73Å; H435-F459 AromaticContact ND1-CD1 3.89Å
436	A	95.2	Very high	94.9	Very high	57 Å²	57	53.2 Å²	53.2	47%	0.471	30%	0.301	S	S	.	.	H	α-helix	trans	-56.9	-44.3	176.8	0	0	0	0	0	111.6	G432 A433 F439	G432-A436 PolarHBondContact O-N 3.27Å; G432-A436 VanDerWaalsContact O-N 3.12Å; A433-A436 PolarHBondContact O-N 3.03Å; A436-F439 PolarHBondContact O-N 3.26Å
437	S	93.8	Very high	94.7	Very high	68 Å²	68	51.5 Å²	51.5	48%	0.476	29%	0.291	S	S	.	.	H	α-helix	trans	-64.6	-41	173.9	-175	0	0	0	0	112.4	A433 C434 H435 L440 H441	A433-S437 PolarHBondContact O-N 3.13Å; C434-S437 PolarHBondContact O-N 3.22Å; H435-S437 VanDerWaalsContact C-N 3.29Å; H435-S437 PolarHBondContact O-N 3.21Å; S437-L440 PolarHBondContact O-N 3.42Å; S437-H441 PolarHBondContact O-CD2 3.22Å
438	R	94.4	Very high	94.4	Very high	36 Å²	36	52.8 Å²	52.8	14%	0.136	30%	0.302	C	S	.	.	H	α-helix	trans	-67.6	-35.8	-179.4	179.9	59.1	-174.4	151.5	10.2	112.3	V264 G345 V349 C434 H435 L440 H441 M442 E445	V264-R438 VanDerWaalsContact CG2-NH2 3.32Å; G345-R438 PolarHBondContact O-NE 2.93Å; G345-R438 PolarHBondContact O-NH2 3.08Å; G345-R438 VanDerWaalsContact O-NH2 3.1Å; V349-R438 HydrophobicContact CG2-CB 3.96Å; V349-R438 HydrophobicContact CG2-CG 4.37Å; C434-R438 WeakPolarHBondContact O-CB 3.42Å; C434-R438 PolarHBondContact O-N 3.16Å; H435-R438 PolarHBondContact O-N 3.36Å; R438-L440 PolarHBondContact O-N 2.87Å; R438-H441 WeakPolarHBondContact O-CB 3.49Å; R438-H441 PolarHBondContact O-N 3.06Å; R438-M442 HydrophobicContact CG-CG 4.28Å; R438-M442 HydrophobicContact CG-SD 4.16Å; R438-M442 WeakPolarHBondContact O-CG 3.3Å; R438-M442 PolarHBondContact O-N 2.89Å; R438-E445 IonicContact CZ-OE2 3.27Å; R438-E445 VanDerWaalsContact CZ-OE2 3.31Å; R438-E445 IonicContact NH1-OE1 3.44Å; R438-E445 PolarHBondContact NH1-OE1 3.22Å; R438-E445 IonicContact NH1-OE2 3.55Å; R438-E445 PolarHBondContact NH1-OE2 3.44Å; R438-E445 IonicContact NH2-OE2 2.82Å; R438-E445 PolarHBondContact NH2-OE2 3.34Å
439	F	94.3	Very high	94.1	Very high	7 Å²	7	60.9 Å²	60.9	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-56.5	-38.9	178.7	172	-119.3	0	0	0	112.1	H435 A436 H441 M442 K443 F451 F455 L456 F459 E460	H435-F439 WeakPolarHBondContact O-CB 3.2Å; H435-F439 PolarHBondContact O-N 3.03Å; A436-F439 PolarHBondContact O-N 3.26Å; F439-H441 VanDerWaalsContact C-N 3.31Å; F439-H441 PolarHBondContact O-N 3.13Å; F439-M442 WeakPolarHBondContact O-CB 3.36Å; F439-M442 PolarHBondContact O-N 3.06Å; F439-M442 VanDerWaalsContact O-N 3.12Å; F439-K443 HydrophobicContact CD2-CG 4.3Å; F439-K443 HydrophobicContact CE1-CD 3.88Å; F439-K443 HydrophobicContact CE1-CG 4.33Å; F439-K443 HydrophobicContact CE2-CD 4.11Å; F439-K443 HydrophobicContact CE2-CG 3.78Å; F439-K443 HydrophobicContact CZ-CD 3.61Å; F439-K443 HydrophobicContact CZ-CG 3.83Å; F439-K443 PolarHBondContact O-N 2.9Å; F439-F451 HydrophobicContact CD2-CE1 4.32Å; F439-F451 HydrophobicContact CE2-CD1 4.12Å; F439-F451 AromaticContact CE2-CE1 3.94Å; F439-F451 HydrophobicContact CE2-CE1 3.94Å; F439-F455 AromaticContact CD2-CE1 3.61Å; F439-F455 HydrophobicContact CD2-CE1 3.61Å; F439-F455 HydrophobicContact CD2-CZ 4.13Å; F439-F455 HydrophobicContact CE2-CD1 4.14Å; F439-F455 AromaticContact CE2-CE1 3.46Å; F439-F455 HydrophobicContact CE2-CE1 3.46Å; F439-F455 VanDerWaalsContact CE2-CE1 3.46Å; F439-F455 HydrophobicContact CE2-CZ 4.39Å; F439-F455 HydrophobicContact CZ-CE1 4.46Å; F439-L456 HydrophobicContact CE2-CD2 4.12Å; F439-L456 HydrophobicContact CZ-CD2 3.81Å; F439-F459 HydrophobicContact CD1-CB 4.41Å; F439-F459 WeakPolarHBondContact CD1-O 3.42Å; F439-F459 HydrophobicContact CE1-CB 4.46Å; F439-F459 VanDerWaalsContact CE1-O 3.26Å; F439-F459 WeakPolarHBondContact CE1-O 3.41Å; F439-E460 HydrophobicContact CE1-CB 4.16Å; F439-E460 HydrophobicContact CZ-CB 4.34Å
440	L	92.8	Very high	93.9	Very high	112 Å²	112	60.4 Å²	60.4	59%	0.586	34%	0.341	S	S	*	.	H	α-helix	trans	-59.4	-40	175.5	-60.8	179.1	0	0	0	112.7	S437 R438	S437-L440 PolarHBondContact O-N 3.42Å; R438-L440 PolarHBondContact O-N 2.87Å
441	H	91.5	Very high	93.8	Very high	100 Å²	100	55.6 Å²	55.6	46%	0.463	32%	0.317	S	S	.	.	H	α-helix	trans	-68.7	-40.9	174.7	-69.9	-86.2	0	0	0	111.6	S437 R438 F439 K443 V444 E445	S437-H441 PolarHBondContact O-CD2 3.22Å; R438-H441 WeakPolarHBondContact O-CB 3.49Å; R438-H441 PolarHBondContact O-N 3.06Å; F439-H441 VanDerWaalsContact C-N 3.31Å; F439-H441 PolarHBondContact O-N 3.13Å; H441-K443 VanDerWaalsContact C-N 3.28Å; H441-K443 PolarHBondContact O-N 3.4Å; H441-V444 PolarHBondContact O-N 2.99Å; H441-E445 WeakPolarHBondContact O-CB 3.46Å; H441-E445 WeakPolarHBondContact O-CG 3.49Å; H441-E445 PolarHBondContact O-N 2.93Å
442	M	92	Very high	93.6	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.025	32%	0.322	C	S	.	.	H	α-helix	trans	-58.3	-40.5	177.3	-65.2	169.1	63.6	0	0	111.5	F269 G345 R438 F439 V444 E445 C446 F451	F269-M442 HydrophobicContact CD2-CE 4.13Å; F269-M442 HydrophobicContact CE2-CE 3.32Å; F269-M442 HydrophobicContact CZ-CE 4.04Å; G345-M442 WeakPolarHBondContact O-CG 3.22Å; R438-M442 HydrophobicContact CG-CG 4.28Å; R438-M442 HydrophobicContact CG-SD 4.16Å; R438-M442 WeakPolarHBondContact O-CG 3.3Å; R438-M442 PolarHBondContact O-N 2.89Å; F439-M442 WeakPolarHBondContact O-CB 3.36Å; F439-M442 PolarHBondContact O-N 3.06Å; F439-M442 VanDerWaalsContact O-N 3.12Å; M442-V444 PolarHBondContact O-N 3.4Å; M442-E445 PolarHBondContact O-N 3.17Å; M442-C446 VanDerWaalsContact O-CB 3.28Å; M442-C446 WeakPolarHBondContact O-CB 3.32Å; M442-C446 PolarHBondContact O-N 3.12Å; M442-F451 HydrophobicContact CB-CE1 4.18Å; M442-F451 HydrophobicContact CB-CZ 3.98Å; M442-F451 HydrophobicContact CE-CE1 4.27Å
443	K	91.8	Very high	93.6	Very high	74 Å²	74	60.4 Å²	60.4	32%	0.322	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-24	177.3	-68.1	-165.7	81.9	-178.5	0	114	F439 H441 E460	F439-K443 HydrophobicContact CD2-CG 4.3Å; F439-K443 HydrophobicContact CE1-CD 3.88Å; F439-K443 HydrophobicContact CE1-CG 4.33Å; F439-K443 HydrophobicContact CE2-CD 4.11Å; F439-K443 HydrophobicContact CE2-CG 3.78Å; F439-K443 HydrophobicContact CZ-CD 3.61Å; F439-K443 HydrophobicContact CZ-CG 3.83Å; F439-K443 PolarHBondContact O-N 2.9Å; H441-K443 VanDerWaalsContact C-N 3.28Å; H441-K443 PolarHBondContact O-N 3.4Å; K443-E460 IonicContact NZ-OE1 3.33Å; K443-E460 PolarHBondContact NZ-OE1 3.01Å; K443-E460 IonicContact NZ-OE2 3.02Å
444	V	91.8	Very high	93.6	Very high	128 Å²	128	58.8 Å²	58.8	78%	0.776	33%	0.329	S	S	*	.	H	α-helix	trans	-88.6	-38.5	176.8	179.5	0	0	0	0	110.9	H441 M442	H441-V444 PolarHBondContact O-N 2.99Å; M442-V444 PolarHBondContact O-N 3.4Å
445	E	90.8	Very high	93.5	Very high	63 Å²	63	56.7 Å²	56.7	29%	0.294	31%	0.314	S	S	.	.	H	α-helix	trans	-82.4	-25.7	-174	-68.7	164.4	-170.4	0	0	113.2	V264 R438 H441 M442	V264-E445 HydrophobicContact CG2-CB 4.03Å; V264-E445 VanDerWaalsContact CG2-OE2 3.23Å; V264-E445 WeakPolarHBondContact CG2-OE2 3.27Å; R438-E445 IonicContact CZ-OE2 3.27Å; R438-E445 VanDerWaalsContact CZ-OE2 3.31Å; R438-E445 IonicContact NH1-OE1 3.44Å; R438-E445 PolarHBondContact NH1-OE1 3.22Å; R438-E445 IonicContact NH1-OE2 3.55Å; R438-E445 PolarHBondContact NH1-OE2 3.44Å; R438-E445 IonicContact NH2-OE2 2.82Å; R438-E445 PolarHBondContact NH2-OE2 3.34Å; H441-E445 WeakPolarHBondContact O-CB 3.46Å; H441-E445 WeakPolarHBondContact O-CG 3.49Å; H441-E445 PolarHBondContact O-N 2.93Å; M442-E445 PolarHBondContact O-N 3.17Å
446	C	91.8	Very high	93.5	Very high	7 Å²	7	58 Å²	58	5%	0.047	32%	0.321	C	S	.	.	S	Bend	trans	-116.6	143	-172.8	-56.3	0	0	0	0	112.3	L266 F269 M442 T448 F451	L266-C446 HydrophobicContact CD2-CB 4.32Å; F269-C446 HydrophobicContact CD1-CB 4.05Å; F269-C446 HydrophobicContact CE1-CB 3.72Å; F269-C446 HydrophobicContact CZ-CB 4.34Å; M442-C446 VanDerWaalsContact O-CB 3.28Å; M442-C446 WeakPolarHBondContact O-CB 3.32Å; M442-C446 PolarHBondContact O-N 3.12Å; C446-T448 PolarHBondContact O-N 2.95Å; C446-F451 HydrophobicContact CB-CE2 3.75Å; C446-F451 HydrophobicContact CB-CZ 3.88Å
447	P	92.2	Very high	93.5	Very high	51 Å²	51	59.7 Å²	59.7	33%	0.331	32%	0.319	S	S	.	.			trans	-56.2	136	172.1	-22.6	31.3	0	0	0	112.3	L266 E449 L450 F451	L266-P447 HydrophobicContact CD1-CG 4.42Å; P447-E449 VanDerWaalsContact CB-OE2 3.22Å; P447-E449 WeakPolarHBondContact CB-OE2 3.24Å; P447-E449 PolarHBondContact O-N 2.7Å; P447-L450 HydrophobicContact CB-CD1 4.47Å; P447-L450 HydrophobicContact CB-CG 4.36Å; P447-L450 HydrophobicContact CG-CD1 4.2Å; P447-L450 PolarHBondContact O-N 3.17Å; P447-L450 VanDerWaalsContact O-N 3.16Å; P447-F451 WeakPolarHBondContact O-CD2 3.14Å
448	T	91.4	Very high	93.6	Very high	89 Å²	89	57.3 Å²	57.3	55%	0.546	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-61.7	-29.4	-177.2	-54.1	0	0	0	0	112.3	C446 L450 F451	C446-T448 PolarHBondContact O-N 2.95Å; T448-L450 PolarHBondContact O-N 3.49Å; T448-F451 PolarHBondContact O-N 2.75Å
449	E	92.5	Very high	93.6	Very high	171 Å²	171	56.8 Å²	56.8	80%	0.799	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-69	-17.1	-178.8	-45.1	87	-170.9	0	0	113.4	P447 F451	P447-E449 VanDerWaalsContact CB-OE2 3.22Å; P447-E449 WeakPolarHBondContact CB-OE2 3.24Å; P447-E449 PolarHBondContact O-N 2.7Å; E449-F451 VanDerWaalsContact C-N 3.35Å
450	L	93.5	Very high	93.4	Very high	50 Å²	50	60.3 Å²	60.3	26%	0.262	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-79.7	-17.7	177.6	-66.6	-177.9	0	0	0	113	L266 F269 T273 P447 T448 P452	L266-L450 HydrophobicContact CD2-CD1 4.36Å; F269-L450 HydrophobicContact CD1-CB 4.05Å; F269-L450 HydrophobicContact CD1-CD1 3.84Å; F269-L450 HydrophobicContact CE1-CB 3.66Å; F269-L450 HydrophobicContact CE1-CD1 4.23Å; T273-L450 WeakPolarHBondContact CB-O 3.45Å; T273-L450 WeakPolarHBondContact CG2-O 3.29Å; P447-L450 HydrophobicContact CB-CD1 4.47Å; P447-L450 HydrophobicContact CB-CG 4.36Å; P447-L450 HydrophobicContact CG-CD1 4.2Å; P447-L450 PolarHBondContact O-N 3.17Å; P447-L450 VanDerWaalsContact O-N 3.16Å; T448-L450 PolarHBondContact O-N 3.49Å; L450-P452 WeakPolarHBondContact O-CD 3.37Å
451	F	95.2	Very high	92.5	Very high	11 Å²	11	65 Å²	65	5%	0.048	34%	0.343	C	S	.	.	S	Bend	trans	-81.4	119	180	-67.6	-92.1	0	0	0	110.4	F269 F439 M442 C446 P447 T448 E449 F455 L456	F269-F451 HydrophobicContact CE1-CE1 4.45Å; F269-F451 HydrophobicContact CE1-CE2 4.27Å; F269-F451 HydrophobicContact CE1-CZ 4.2Å; F269-F451 HydrophobicContact CE2-CE1 4.42Å; F269-F451 AromaticContact CZ-CD1 3.96Å; F269-F451 HydrophobicContact CZ-CD1 3.96Å; F269-F451 AromaticContact CZ-CE1 3.61Å; F269-F451 HydrophobicContact CZ-CE1 3.61Å; F269-F451 HydrophobicContact CZ-CE2 4.21Å; F269-F451 HydrophobicContact CZ-CG 4.41Å; F269-F451 AromaticContact CZ-CZ 3.74Å; F269-F451 HydrophobicContact CZ-CZ 3.74Å; F439-F451 HydrophobicContact CD2-CE1 4.32Å; F439-F451 HydrophobicContact CE2-CD1 4.12Å; F439-F451 AromaticContact CE2-CE1 3.94Å; F439-F451 HydrophobicContact CE2-CE1 3.94Å; M442-F451 HydrophobicContact CB-CE1 4.18Å; M442-F451 HydrophobicContact CB-CZ 3.98Å; M442-F451 HydrophobicContact CE-CE1 4.27Å; C446-F451 HydrophobicContact CB-CE2 3.75Å; C446-F451 HydrophobicContact CB-CZ 3.88Å; P447-F451 WeakPolarHBondContact O-CD2 3.14Å; T448-F451 PolarHBondContact O-N 2.75Å; E449-F451 VanDerWaalsContact C-N 3.35Å; F451-F455 AromaticContact CD1-CD1 3.75Å; F451-F455 HydrophobicContact CD1-CD1 3.75Å; F451-F455 AromaticContact CD1-CE1 3.65Å; F451-F455 HydrophobicContact CD1-CE1 3.65Å; F451-F455 AromaticContact CE1-CE1 4Å; F451-F455 HydrophobicContact CE1-CE1 4Å; F451-L456 HydrophobicContact CB-CD1 4.09Å; F451-L456 HydrophobicContact CB-CD2 3.78Å; F451-L456 HydrophobicContact CB-CG 3.88Å; F451-L456 HydrophobicContact CD1-CD2 4.23Å; F451-L456 HydrophobicContact CG-CD2 4.12Å
452	P	95.3	Very high	92.6	Very high	18 Å²	18	63.2 Å²	63.2	12%	0.117	34%	0.336	C	S	.	.			trans	-62.5	143.9	176.4	-23.4	35.4	0	0	0	111.4	I276 T277 L450 L454 F455 L456	I276-P452 HydrophobicContact CG2-CG 3.83Å; T277-P452 VanDerWaalsContact OG1-CB 3.24Å; T277-P452 WeakPolarHBondContact OG1-CB 3.46Å; L450-P452 WeakPolarHBondContact O-CD 3.37Å; P452-L454 VanDerWaalsContact C-N 3.3Å; P452-L454 PolarHBondContact O-N 3.3Å; P452-F455 HydrophobicContact CB-CB 4.18Å; P452-F455 HydrophobicContact CG-CB 4.39Å; P452-F455 WeakPolarHBondContact O-CA 3.36Å; P452-F455 VanDerWaalsContact O-CB 3.27Å; P452-F455 WeakPolarHBondContact O-CB 3.28Å; P452-F455 PolarHBondContact O-N 3.28Å; P452-L456 PolarHBondContact O-N 3.38Å; P452-L456 VanDerWaalsContact O-N 3.14Å
453	P	96.1	Very high	92.6	Very high	101 Å²	101	66.3 Å²	66.3	66%	0.656	35%	0.353	S	S	*	.	H	α-helix	trans	-54.8	-43	-179.3	-28.7	35.3	0	0	0	113.7	F455 L456 E457	P453-F455 VanDerWaalsContact C-N 3.27Å; P453-F455 PolarHBondContact O-N 3.47Å; P453-L456 PolarHBondContact O-N 3.25Å; P453-E457 PolarHBondContact O-N 2.75Å
454	L	95	Very high	92.6	Very high	26 Å²	26	65.8 Å²	65.8	14%	0.136	36%	0.355	C	S	.	.	H	α-helix	trans	-64.2	-31.9	177.4	-176.5	62.6	0	0	0	112.6	L29 T277 I280 P452 V458	L29-L454 HydrophobicContact CD1-CD1 4.49Å; T277-L454 HydrophobicContact CG2-CB 4.48Å; T277-L454 HydrophobicContact CG2-CD2 4.01Å; I280-L454 HydrophobicContact CB-CD2 4.07Å; I280-L454 HydrophobicContact CB-CG 4.47Å; I280-L454 HydrophobicContact CG2-CD1 4.4Å; I280-L454 HydrophobicContact CG2-CD2 3.73Å; I280-L454 HydrophobicContact CG2-CG 3.87Å; P452-L454 VanDerWaalsContact C-N 3.3Å; P452-L454 PolarHBondContact O-N 3.3Å; L454-V458 HydrophobicContact CD1-CG2 4.31Å; L454-V458 WeakPolarHBondContact O-CG2 3.33Å; L454-V458 PolarHBondContact O-N 3.24Å; L454-V458 VanDerWaalsContact O-N 3.15Å
455	F	95.8	Very high	92.7	Very high	12 Å²	12	62.2 Å²	62.2	5%	0.053	33%	0.33	C	S	.	.	H	α-helix	trans	-66.9	-44.5	175.7	-180	-90.3	0	0	0	110.8	I276 I280 F439 F451 P452 P453 V458 F459	I276-F455 HydrophobicContact CG1-CD2 3.64Å; I276-F455 HydrophobicContact CG1-CE2 4Å; I276-F455 HydrophobicContact CG2-CB 4.41Å; I276-F455 HydrophobicContact CG2-CD2 4.09Å; I280-F455 HydrophobicContact CD1-CB 4.25Å; I280-F455 HydrophobicContact CD1-CD2 4.18Å; F439-F455 AromaticContact CD2-CE1 3.61Å; F439-F455 HydrophobicContact CD2-CE1 3.61Å; F439-F455 HydrophobicContact CD2-CZ 4.13Å; F439-F455 HydrophobicContact CE2-CD1 4.14Å; F439-F455 AromaticContact CE2-CE1 3.46Å; F439-F455 HydrophobicContact CE2-CE1 3.46Å; F439-F455 VanDerWaalsContact CE2-CE1 3.46Å; F439-F455 HydrophobicContact CE2-CZ 4.39Å; F439-F455 HydrophobicContact CZ-CE1 4.46Å; F451-F455 AromaticContact CD1-CD1 3.75Å; F451-F455 HydrophobicContact CD1-CD1 3.75Å; F451-F455 AromaticContact CD1-CE1 3.65Å; F451-F455 HydrophobicContact CD1-CE1 3.65Å; F451-F455 AromaticContact CE1-CE1 4Å; F451-F455 HydrophobicContact CE1-CE1 4Å; P452-F455 HydrophobicContact CB-CB 4.18Å; P452-F455 HydrophobicContact CG-CB 4.39Å; P452-F455 WeakPolarHBondContact O-CA 3.36Å; P452-F455 VanDerWaalsContact O-CB 3.27Å; P452-F455 WeakPolarHBondContact O-CB 3.28Å; P452-F455 PolarHBondContact O-N 3.28Å; P453-F455 VanDerWaalsContact C-N 3.27Å; P453-F455 PolarHBondContact O-N 3.47Å; F455-V458 PolarHBondContact O-N 3.12Å; F455-F459 HydrophobicContact CD1-CD2 4.35Å; F455-F459 AromaticContact CD2-CD2 3.52Å; F455-F459 HydrophobicContact CD2-CD2 3.52Å; F455-F459 AromaticContact CD2-CE2 3.7Å; F455-F459 HydrophobicContact CD2-CE2 3.7Å; F455-F459 HydrophobicContact CE1-CD2 4.29Å; F455-F459 AromaticContact CE2-CD2 3.43Å; F455-F459 HydrophobicContact CE2-CD2 3.43Å; F455-F459 VanDerWaalsContact CE2-CD2 3.43Å; F455-F459 AromaticContact CE2-CE2 3.63Å; F455-F459 HydrophobicContact CE2-CE2 3.63Å; F455-F459 HydrophobicContact CE2-CG 4.5Å; F455-F459 AromaticContact CG-CD2 4Å; F455-F459 HydrophobicContact CG-CD2 4Å; F455-F459 AromaticContact CZ-CD2 3.84Å; F455-F459 HydrophobicContact CZ-CD2 3.84Å; F455-F459 HydrophobicContact CZ-CE2 4.43Å; F455-F459 WeakPolarHBondContact O-CD2 3.43Å; F455-F459 PolarHBondContact O-N 3.18Å
456	L	96	Very high	92.8	Very high	33 Å²	33	62.1 Å²	62.1	17%	0.173	33%	0.332	C	S	.	.	H	α-helix	trans	-63.4	-46.1	174.3	-63.7	177	0	0	0	110.8	F439 F451 P452 P453 V458 F459 E460	F439-L456 HydrophobicContact CE2-CD2 4.12Å; F439-L456 HydrophobicContact CZ-CD2 3.81Å; F451-L456 HydrophobicContact CB-CD1 4.09Å; F451-L456 HydrophobicContact CB-CD2 3.78Å; F451-L456 HydrophobicContact CB-CG 3.88Å; F451-L456 HydrophobicContact CD1-CD2 4.23Å; F451-L456 HydrophobicContact CG-CD2 4.12Å; P452-L456 PolarHBondContact O-N 3.38Å; P452-L456 VanDerWaalsContact O-N 3.14Å; P453-L456 PolarHBondContact O-N 3.25Å; L456-V458 PolarHBondContact O-N 2.96Å; L456-F459 PolarHBondContact O-N 3.17Å; L456-E460 WeakPolarHBondContact O-CA 3.5Å; L456-E460 WeakPolarHBondContact O-CB 3.04Å; L456-E460 PolarHBondContact O-N 3.17Å
457	E	95.2	Very high	92.9	Very high	92 Å²	92	65.8 Å²	65.8	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-56.2	-37	179.3	-173.1	178.7	166.4	0	0	113.2	K306 P453	K306-E457 WeakPolarHBondContact CE-O 3.41Å; K306-E457 PolarHBondContact NZ-O 3.25Å; P453-E457 PolarHBondContact O-N 2.75Å
458	V	95.8	Very high	92.9	Very high	18 Å²	18	66.9 Å²	66.9	11%	0.109	35%	0.352	C	S	.	.	H	α-helix	trans	-83.3	-39.6	-178.5	173.4	0	0	0	0	113	I280 K306 C309 L454 F455 L456	I280-V458 HydrophobicContact CG2-CG2 3.92Å; K306-V458 WeakPolarHBondContact CG-O 3.31Å; C309-V458 HydrophobicContact CB-CG1 3.73Å; L454-V458 HydrophobicContact CD1-CG2 4.31Å; L454-V458 WeakPolarHBondContact O-CG2 3.33Å; L454-V458 PolarHBondContact O-N 3.24Å; L454-V458 VanDerWaalsContact O-N 3.15Å; F455-V458 PolarHBondContact O-N 3.12Å; L456-V458 PolarHBondContact O-N 2.96Å
459	F	95.1	Very high	93	Very high	25 Å²	25	65.2 Å²	65.2	11%	0.11	34%	0.338	C	S	.	.	H	α-helix	trans	-109.3	-10.3	-170	-61.7	-60.7	0	0	0	115	I280 C309 M310 M313 H435 F439 F455 L456	I280-F459 HydrophobicContact CD1-CE2 4.02Å; C309-F459 HydrophobicContact CB-CE1 4.17Å; C309-F459 HydrophobicContact CB-CZ 4.03Å; M310-F459 HydrophobicContact CB-CE1 3.88Å; M310-F459 HydrophobicContact CB-CZ 4.21Å; M313-F459 HydrophobicContact CE-CE2 4.08Å; M313-F459 HydrophobicContact CE-CZ 3.68Å; H435-F459 AromaticContact CE1-CD1 3.65Å; H435-F459 AromaticContact CE1-CE1 3.87Å; H435-F459 AromaticContact CE1-CG 3.73Å; H435-F459 AromaticContact ND1-CD1 3.89Å; F439-F459 HydrophobicContact CD1-CB 4.41Å; F439-F459 WeakPolarHBondContact CD1-O 3.42Å; F439-F459 HydrophobicContact CE1-CB 4.46Å; F439-F459 VanDerWaalsContact CE1-O 3.26Å; F439-F459 WeakPolarHBondContact CE1-O 3.41Å; F455-F459 HydrophobicContact CD1-CD2 4.35Å; F455-F459 AromaticContact CD2-CD2 3.52Å; F455-F459 HydrophobicContact CD2-CD2 3.52Å; F455-F459 AromaticContact CD2-CE2 3.7Å; F455-F459 HydrophobicContact CD2-CE2 3.7Å; F455-F459 HydrophobicContact CE1-CD2 4.29Å; F455-F459 AromaticContact CE2-CD2 3.43Å; F455-F459 HydrophobicContact CE2-CD2 3.43Å; F455-F459 VanDerWaalsContact CE2-CD2 3.43Å; F455-F459 AromaticContact CE2-CE2 3.63Å; F455-F459 HydrophobicContact CE2-CE2 3.63Å; F455-F459 HydrophobicContact CE2-CG 4.5Å; F455-F459 AromaticContact CG-CD2 4Å; F455-F459 HydrophobicContact CG-CD2 4Å; F455-F459 AromaticContact CZ-CD2 3.84Å; F455-F459 HydrophobicContact CZ-CD2 3.84Å; F455-F459 HydrophobicContact CZ-CE2 4.43Å; F455-F459 WeakPolarHBondContact O-CD2 3.43Å; F455-F459 PolarHBondContact O-N 3.18Å; L456-F459 PolarHBondContact O-N 3.17Å
460	E	89	Confident	93.1	Very high	80 Å²	80	56.3 Å²	56.3	37%	0.374	30%	0.299	S	S	.	.			trans	-85.1	124.6	166.7	-162.7	164.4	-160.5	0	0	108.6	K306 F439 K443 L456	K306-E460 PolarHBondContact NZ-O 3.43Å; F439-E460 HydrophobicContact CE1-CB 4.16Å; F439-E460 HydrophobicContact CZ-CB 4.34Å; K443-E460 IonicContact NZ-OE1 3.33Å; K443-E460 PolarHBondContact NZ-OE1 3.01Å; K443-E460 IonicContact NZ-OE2 3.02Å; L456-E460 WeakPolarHBondContact O-CA 3.5Å; L456-E460 WeakPolarHBondContact O-CB 3.04Å; L456-E460 PolarHBondContact O-N 3.17Å
461	D	75.2	Confident	93	Very high	210 Å²	210	56.9 Å²	56.9	100%	1.123	30%	0.303	S	S	*	.			trans	-58.7	0	-176.9	-76.3	-34	0	0	0	112.4	K306	K306-D461 PolarHBondContact NZ-OXT 3.38Å

Retrieved 461 of 461 residues in 1992.9 ms (Link to these results)

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