A0A060D7B7_MAIZE Loading...

GRAS transcription factor

AlphaFold DB , UniProt , Accession A0A060D7B7, Species MAIZE (Zea mays, Maize), Gene GRAS16, Length 732 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	37.7	Very low	33.9	Very low	226 Å²	226	158.7 Å²	158.7	100%	1.113	83%	0.829	S	S	*	*				0	100.2	0	-84.1	-175.2	175.9	0	0	105.7	F3	M1-F3 PolarHBondContact O-N 3.48Å
2	D	32.6	Very low	33.2	Very low	156 Å²	156	156.8 Å²	156.8	83%	0.834	82%	0.821	S	S	*	*			trans	-66.8	117	-177.7	-64.5	-40.3	0	0	0	109.9
3	F	35.3	Very low	32.6	Very low	205 Å²	205	157.5 Å²	157.5	90%	0.899	82%	0.817	S	S	*	*			trans	-93.1	99.7	162.7	-86.8	-81.7	0	0	0	107.7	M1	M1-F3 PolarHBondContact O-N 3.48Å
4	N	32.8	Very low	32.2	Very low	156 Å²	156	155.7 Å²	155.7	83%	0.834	81%	0.81	S	S	*	*			trans	-59.7	129.5	175.2	-87.5	-45.2	0	0	0	111.9
5	D	31.4	Very low	31.9	Very low	150 Å²	150	159.6 Å²	159.6	80%	0.802	82%	0.818	S	S	*	*			trans	-51.8	144.6	155.7	-71.4	-53.2	0	0	0	113.2
6	K	34.4	Very low	31.5	Very low	198 Å²	198	160.1 Å²	160.1	86%	0.861	82%	0.816	S	S	*	*			trans	167.4	158.5	135.8	-100	-178	-178.6	179.1	0	112.3
7	P	49.3	Very low	31	Very low	107 Å²	107	156.8 Å²	156.8	70%	0.695	81%	0.81	S	S	*	*				-133.1	166.7	-65.2	30.7	-9.3	0	0	0	112.5	S9	P7-S9 PolarHBondContact O-N 2.9Å
8	S	28.8	Very low	30.8	Very low	109 Å²	109	156.8 Å²	156.8	76%	0.762	81%	0.812	S	S	*	*			trans	-37	122.9	161.6	50	0	0	0	0	114.8
9	S	33	Very low	30.3	Very low	104 Å²	104	156.8 Å²	156.8	73%	0.727	81%	0.81	S	S	*	*			trans	-98.3	115.1	163.3	58.4	0	0	0	0	109.9	P7	P7-S9 PolarHBondContact O-N 2.9Å
10	N	27	Very low	30.1	Very low	132 Å²	132	154.4 Å²	154.4	71%	0.706	81%	0.807	S	S	*	*			trans	-55.2	131.1	170.8	-66.3	-18.4	0	0	0	111.7
11	F	30.6	Very low	29.9	Very low	203 Å²	203	149.1 Å²	149.1	89%	0.89	79%	0.786	S	S	*	*			trans	-125.2	92.4	150	-88.7	-80.6	0	0	0	106.9
12	D	25.1	Very low	29.4	Very low	136 Å²	136	142.7 Å²	142.7	73%	0.727	76%	0.76	S	S	*	*			trans	-77.7	160	163.2	-87.9	-46.6	0	0	0	110.2
13	E	26.1	Very low	29	Very low	166 Å²	166	138.9 Å²	138.9	78%	0.776	75%	0.745	S	S	*	*			trans	97.2	96.3	159.3	-55.9	-161.8	160.1	0	0	118.3
14	D	26.7	Very low	28.4	Very low	132 Å²	132	131.8 Å²	131.8	71%	0.706	73%	0.73	S	S	*	*				64.6	89.8	118.8	-71.3	-7.7	0	0	0	118.4
15	F	27	Very low	27.9	Very low	214 Å²	214	133.9 Å²	133.9	94%	0.939	73%	0.732	S	S	*	*			trans	-116.2	92	147.6	-93	-86.9	0	0	0	111.1
16	Q	25.8	Very low	27.6	Very low	168 Å²	168	137.7 Å²	137.7	79%	0.785	74%	0.737	S	S	*	*			trans	-51.7	132.2	166	-78.8	179.2	-15.3	0	0	111.7	N18	Q16-N18 PolarHBondContact O-N 3.07Å
17	S	24	Very low	27.1	Very low	103 Å²	103	133.3 Å²	133.3	72%	0.72	73%	0.731	S	S	*	*			trans	-35	124.8	159.4	54.5	0	0	0	0	113.9
18	N	26	Very low	25.8	Very low	157 Å²	157	137.7 Å²	137.7	84%	0.84	74%	0.74	S	S	*	*			trans	-142.9	89	150.9	-94.2	-38.1	0	0	0	110.1	Q16	Q16-N18 PolarHBondContact O-N 3.07Å
19	M	22.8	Very low	25.6	Very low	157 Å²	157	140.5 Å²	140.5	77%	0.773	74%	0.744	S	S	*	*			trans	-64.9	124.8	157.2	-80.3	-173.1	162.5	0	0	109.5
20	S	26.2	Very low	25.1	Very low	108 Å²	108	143.5 Å²	143.5	76%	0.755	75%	0.746	S	S	*	*			trans	-154.8	111	150.1	46.7	0	0	0	0	110.5
21	A	24.9	Very low	25.3	Very low	44 Å²	44	143 Å²	143	36%	0.364	75%	0.75	S	S	.	*			trans	-60.4	144.8	174.1	0	0	0	0	0	113.1	Q344	A21-Q344 HydrophobicContact CB-CG 3.68Å
22	T	27	Very low	25.2	Very low	91 Å²	91	137.7 Å²	137.7	56%	0.558	74%	0.744	S	S	*	*			trans	-154.5	117.2	142.1	13.7	0	0	0	0	112.4	M339	T22-M339 HydrophobicContact CG2-CE 3.34Å; T22-M339 HydrophobicContact CG2-SD 3.89Å
23	S	23.8	Very low	25.3	Very low	76 Å²	76	139 Å²	139	53%	0.531	75%	0.752	S	S	.	*			trans	-65.7	137.6	165.5	60.1	0	0	0	0	112.4	K342	S23-K342 PolarHBondContact OG-NZ 3.34Å
24	G	24.3	Very low	25.5	Very low	56 Å²	56	140.4 Å²	140.4	58%	0.577	76%	0.758	S	S	*	*			trans	-161.3	88	161.8	0	0	0	0	0	109.3
25	F	22.3	Very low	25.4	Very low	201 Å²	201	139 Å²	139	88%	0.882	76%	0.758	S	S	*	*				58.6	81.1	114.6	-81.2	-80.6	0	0	0	114.4	S27	F25-S27 PolarHBondContact O-N 3.19Å
26	Y	23.6	Very low	25.4	Very low	229 Å²	229	136 Å²	136	90%	0.898	75%	0.752	S	S	*	*			trans	-80.9	107	156.7	-77.1	-83.4	0	0	0	108.3
27	S	23.9	Very low	25.5	Very low	106 Å²	106	136.8 Å²	136.8	74%	0.741	76%	0.756	S	S	*	*			trans	-72.3	126.6	171.2	51.4	0	0	0	0	109.9	F25 I29	F25-S27 PolarHBondContact O-N 3.19Å; S27-I29 PolarHBondContact O-N 3.18Å
28	F	23.1	Very low	25.6	Very low	199 Å²	199	140.2 Å²	140.2	87%	0.873	77%	0.765	S	S	*	*			trans	-42	115.8	172.5	-71.3	-96.8	0	0	0	112.8	H30	F28-H30 PolarHBondContact O-N 3.48Å
29	I	23.8	Very low	25.6	Very low	168 Å²	168	141.8 Å²	141.8	86%	0.862	77%	0.767	S	S	*	*			trans	-78.6	106.7	160.9	-63.6	177	0	0	0	105.9	S27	S27-I29 PolarHBondContact O-N 3.18Å
30	H	23.9	Very low	25.8	Very low	167 Å²	167	141.4 Å²	141.4	77%	0.773	77%	0.768	S	S	*	*			trans	-67.3	134.7	173.5	-121.5	-81.6	0	0	0	109.2	F28 A32	F28-H30 PolarHBondContact O-N 3.48Å; H30-A32 PolarHBondContact O-N 3.11Å
31	P	30.8	Very low	25.9	Very low	121 Å²	121	145.8 Å²	145.8	79%	0.786	77%	0.774	S	S	*	*			trans	-78.8	116.5	-175.1	30.9	-31.5	0	0	0	109.4
32	A	27	Very low	26	Very low	93 Å²	93	151.7 Å²	151.7	77%	0.769	80%	0.798	S	S	*	*			trans	-114	109.6	166.7	0	0	0	0	0	108.1	H30 E34	H30-A32 PolarHBondContact O-N 3.11Å; A32-E34 PolarHBondContact O-N 2.06Å
33	N	27.5	Very low	26	Very low	164 Å²	164	155 Å²	155	88%	0.877	81%	0.812	S	S	*	*			trans	12.9	91.6	156.5	-76.8	-7.6	0	0	0	117.4
34	E	30.3	Very low	26.1	Very low	195 Å²	195	159.1 Å²	159.1	91%	0.911	82%	0.823	S	S	*	*			trans	-133.4	89	146.6	-74.8	-171.1	163.6	0	0	108.1	A32	A32-E34 PolarHBondContact O-N 2.06Å
35	S	25.1	Very low	26.4	Very low	102 Å²	102	162.3 Å²	162.3	71%	0.713	83%	0.834	S	S	*	*			trans	-65.3	137.3	158.2	47	0	0	0	0	109.3
36	N	26.3	Very low	26.7	Very low	151 Å²	151	164.4 Å²	164.4	81%	0.807	84%	0.836	S	S	*	*			trans	87.6	99.1	174.2	-56.3	-13.7	0	0	0	115.1
37	E	28.1	Very low	27.3	Very low	184 Å²	184	157.9 Å²	157.9	86%	0.86	82%	0.824	S	S	*	*				165.8	70.3	123.9	-90.4	-171.7	179.3	0	0	109.8
38	L	26.4	Very low	28	Very low	175 Å²	175	156.4 Å²	156.4	92%	0.916	82%	0.818	S	S	*	*			trans	-147.5	47.5	158.7	-75.8	-177.4	0	0	0	110
39	E	26.8	Very low	29.1	Very low	190 Å²	190	153 Å²	153	89%	0.888	81%	0.805	S	S	*	*			trans	-85.4	93.1	150.6	-84	-169.5	163.1	0	0	106.7
40	L	27.1	Very low	30.4	Very low	149 Å²	149	153.5 Å²	153.5	78%	0.78	80%	0.803	S	S	*	*			trans	-168.5	135.5	157.9	-97.3	155.5	0	0	0	105.9
41	F	27.4	Very low	32.5	Very low	200 Å²	200	148.8 Å²	148.8	88%	0.877	78%	0.779	S	S	*	*			trans	87.3	43.7	-172	-47.4	-70.9	0	0	0	117.1
42	L	28	Very low	34	Very low	168 Å²	168	146.9 Å²	146.9	88%	0.88	77%	0.767	S	S	*	*			trans	-90.2	82.8	147.7	-76	169.8	0	0	0	108.5	Q44	L42-Q44 PolarHBondContact O-N 3.11Å; L42-Q44 VanDerWaalsContact O-N 3.16Å
43	D	26.7	Very low	35.2	Very low	160 Å²	160	148.2 Å²	148.2	86%	0.856	77%	0.767	S	S	*	*			trans	-73.2	102.8	164.1	-138.1	-2.5	0	0	0	106.8	P45	D43-P45 WeakPolarHBondContact O-CD 3.01Å
44	Q	25.1	Very low	36.6	Very low	164 Å²	164	143.6 Å²	143.6	77%	0.766	75%	0.745	S	S	*	*			trans	-59.8	120.2	-174.2	-79.1	-174.3	-32.3	0	0	110.8	L42 R46	L42-Q44 PolarHBondContact O-N 3.11Å; L42-Q44 VanDerWaalsContact O-N 3.16Å; Q44-R46 PolarHBondContact O-N 3.07Å
45	P	31.2	Very low	37.3	Very low	122 Å²	122	139.6 Å²	139.6	79%	0.792	74%	0.738	S	S	*	*			trans	-67.9	107.2	165.7	7.8	2.5	0	0	0	108.2	D43 S47	D43-P45 WeakPolarHBondContact O-CD 3.01Å; P45-S47 PolarHBondContact O-N 3.38Å
46	R	29.4	Very low	38	Very low	245 Å²	245	141.7 Å²	141.7	93%	0.925	74%	0.742	S	S	*	*	S	Bend	trans	-58.3	133.8	173.5	-77.4	179.2	173.3	176.9	-1.6	110.4	Q44	Q44-R46 PolarHBondContact O-N 3.07Å
47	S	35.2	Very low	38.6	Very low	92 Å²	92	138.7 Å²	138.7	64%	0.643	74%	0.738	S	S	*	*			trans	80.4	64.4	175.7	-157.5	0	0	0	0	115.8	P45 H49	P45-S47 PolarHBondContact O-N 3.38Å; S47-H49 PolarHBondContact O-N 2.94Å
48	A	38.9	Very low	38.7	Very low	76 Å²	76	134.9 Å²	134.9	63%	0.628	73%	0.732	S	S	*	*			trans	-72.1	107.2	148.8	0	0	0	0	0	107.3	H50	A48-H50 VanDerWaalsContact C-N 3.34Å; A48-H50 PolarHBondContact O-N 2.86Å
49	H	46.2	Very low	39	Very low	127 Å²	127	134.6 Å²	134.6	59%	0.588	73%	0.731	S	S	*	*			trans	-60.8	101.5	164.5	-71	-68.7	0	0	0	107.1	S47 Y51	S47-H49 PolarHBondContact O-N 2.94Å; H49-Y51 HydrophobicContact CB-CE1 4.08Å; H49-Y51 HydrophobicContact CB-CE2 4.23Å; H49-Y51 WeakPolarHBondContact O-CD2 3.2Å; H49-Y51 PolarHBondContact O-N 3.49Å
50	H	51.1	Low	39.1	Very low	179 Å²	179	132.6 Å²	132.6	83%	0.829	73%	0.726	S	S	*	*			trans	-69.9	102.4	171.7	-85	21	0	0	0	107.5	A48	A48-H50 VanDerWaalsContact C-N 3.34Å; A48-H50 PolarHBondContact O-N 2.86Å
51	Y	66.8	Low	39.3	Very low	68 Å²	68	130.9 Å²	130.9	27%	0.267	73%	0.727	S	S	.	*	P	Polyproline II helix	trans	-76.9	146.8	172.9	-66.5	-56.5	0	0	0	109.9	H49 L301 M522 F523	H49-Y51 HydrophobicContact CB-CE1 4.08Å; H49-Y51 HydrophobicContact CB-CE2 4.23Å; H49-Y51 WeakPolarHBondContact O-CD2 3.2Å; H49-Y51 PolarHBondContact O-N 3.49Å; Y51-L301 HydrophobicContact CD2-CD1 4.02Å; Y51-L301 HydrophobicContact CE1-CD1 4.31Å; Y51-L301 HydrophobicContact CE2-CB 4.25Å; Y51-L301 HydrophobicContact CE2-CD1 3.69Å; Y51-L301 HydrophobicContact CG-CD1 4.46Å; Y51-M522 HydrophobicContact CD1-CE 2.98Å; Y51-M522 HydrophobicContact CD2-CE 3.93Å; Y51-M522 HydrophobicContact CE1-CE 3.68Å; Y51-M522 HydrophobicContact CE2-CE 4.49Å; Y51-M522 HydrophobicContact CG-CE 3.12Å; Y51-F523 HydrophobicContact CE1-CE1 4.37Å
52	P	62.3	Low	39.4	Very low	81 Å²	81	124.2 Å²	124.2	53%	0.526	72%	0.715	S	S	.	*	P	Polyproline II helix	trans	-59.4	136.6	-179.2	22.2	-31.2	0	0	0	110.7	M522	P52-M522 HydrophobicContact CG-CG 4.35Å
53	P	53.5	Low	39.4	Very low	120 Å²	120	125 Å²	125	78%	0.779	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-67.5	151.6	-177.3	25.2	-32	0	0	0	112.3	S55	P53-S55 PolarHBondContact O-N 3.25Å
54	V	55.6	Low	39.5	Very low	68 Å²	68	124.6 Å²	124.6	41%	0.412	71%	0.71	S	S	.	*	P	Polyproline II helix	trans	-56.5	120.6	179.1	-177.6	0	0	0	0	109.8	N56	V54-N56 PolarHBondContact O-N 2.99Å
55	S	46.8	Very low	39.6	Very low	110 Å²	110	122.1 Å²	122.1	77%	0.769	71%	0.706	S	S	*	*			trans	-68.2	100.5	169.1	52	0	0	0	0	108.5	P53 A57	P53-S55 PolarHBondContact O-N 3.25Å; S55-A57 PolarHBondContact O-N 3.17Å
56	N	39.6	Very low	39.5	Very low	147 Å²	147	121.7 Å²	121.7	79%	0.786	71%	0.706	S	S	*	*			trans	-66.4	86.3	164.8	-73.8	-16.1	0	0	0	107.6	V54 S58	V54-N56 PolarHBondContact O-N 2.99Å; N56-S58 PolarHBondContact O-N 2.83Å
57	A	37.2	Very low	39.3	Very low	88 Å²	88	115.9 Å²	115.9	73%	0.727	70%	0.697	S	S	*	*			trans	-65.4	93.5	162.3	0	0	0	0	0	106.6	S55 N59	S55-A57 PolarHBondContact O-N 3.17Å; A57-N59 PolarHBondContact O-N 3.33Å
58	S	32.1	Very low	39.1	Very low	104 Å²	104	117.7 Å²	117.7	73%	0.727	71%	0.705	S	S	*	*			trans	-53.3	122.8	160.4	49	0	0	0	0	106.8	N56 D60	N56-S58 PolarHBondContact O-N 2.83Å; S58-D60 PolarHBondContact O-N 3.24Å
59	N	31.4	Very low	38.4	Very low	169 Å²	169	119.8 Å²	119.8	90%	0.904	72%	0.715	S	S	*	*			trans	-56.3	83.5	173.7	-75.6	-30.5	0	0	0	109.7	A57 S61	A57-N59 PolarHBondContact O-N 3.33Å; N59-S61 PolarHBondContact O-N 3.41Å
60	D	29.6	Very low	37.4	Very low	147 Å²	147	118.9 Å²	118.9	79%	0.786	72%	0.722	S	S	*	*			trans	-80.1	120	165.4	-138.3	-4.5	0	0	0	106	S58 G62	S58-D60 PolarHBondContact O-N 3.24Å; D60-G62 PolarHBondContact O-N 3.47Å
61	S	30.8	Very low	36.2	Very low	114 Å²	114	115.8 Å²	115.8	80%	0.797	72%	0.72	S	S	*	*			trans	-65.4	76.4	-173	51.7	0	0	0	0	110.8	N59	N59-S61 PolarHBondContact O-N 3.41Å
62	G	30	Very low	34.4	Very low	60 Å²	60	117.9 Å²	117.9	62%	0.619	74%	0.74	S	S	*	*			trans	-83.7	108.8	170.6	0	0	0	0	0	109.6	D60 I64	D60-G62 PolarHBondContact O-N 3.47Å; G62-I64 PolarHBondContact O-N 3.06Å
63	H	27.9	Very low	32.7	Very low	185 Å²	185	122.7 Å²	122.7	86%	0.856	76%	0.756	S	S	*	*			trans	-43	101.4	169.2	-93.4	-87.5	0	0	0	111.7	T65	H63-T65 PolarHBondContact O-N 3.38Å; H63-T65 VanDerWaalsContact O-N 3.13Å
64	I	29.6	Very low	31.3	Very low	151 Å²	151	125.1 Å²	125.1	77%	0.774	76%	0.76	S	S	*	*			trans	-76.9	98.5	163	-62.9	174.6	0	0	0	106.1	G62 S66	G62-I64 PolarHBondContact O-N 3.06Å; I64-S66 PolarHBondContact O-N 3.21Å; I64-S66 PolarHBondContact O-OG 3.01Å
65	T	26.9	Very low	29.9	Very low	111 Å²	111	128 Å²	128	68%	0.681	78%	0.782	S	S	*	*			trans	-58.1	96.7	169.6	35.9	0	0	0	0	109.1	H63 T67	H63-T65 PolarHBondContact O-N 3.38Å; H63-T65 VanDerWaalsContact O-N 3.13Å; T65-T67 VanDerWaalsContact C-N 3.29Å; T65-T67 PolarHBondContact O-N 2.98Å; T65-T67 PolarHBondContact O-OG1 3.16Å
66	S	29.1	Very low	28.9	Very low	114 Å²	114	125.1 Å²	125.1	80%	0.797	77%	0.77	S	S	*	*			trans	-69.2	87.1	174	-58.9	0	0	0	0	108.8	I64	I64-S66 PolarHBondContact O-N 3.21Å; I64-S66 PolarHBondContact O-OG 3.01Å
67	T	25.5	Very low	28.3	Very low	122 Å²	122	123.4 Å²	123.4	75%	0.748	77%	0.766	S	S	*	*			trans	-108.8	78.5	172.3	39.3	0	0	0	0	108.9	T65	T65-T67 VanDerWaalsContact C-N 3.29Å; T65-T67 PolarHBondContact O-N 2.98Å; T65-T67 PolarHBondContact O-OG1 3.16Å
68	T	29.4	Very low	27.8	Very low	131 Å²	131	128.1 Å²	128.1	80%	0.804	77%	0.774	S	S	*	*			trans	-147.1	91	155.8	27.1	0	0	0	0	107.1	C70	T68-C70 VanDerWaalsContact C-N 3.27Å; T68-C70 PolarHBondContact O-N 3.16Å
69	S	25.1	Very low	27.6	Very low	120 Å²	120	131.9 Å²	131.9	84%	0.839	78%	0.777	S	S	*	*			trans	-62.4	84.8	164.4	28.4	0	0	0	0	109.2	S71	S69-S71 PolarHBondContact O-N 3.31Å
70	C	25.9	Very low	27.4	Very low	108 Å²	108	129.2 Å²	129.2	73%	0.73	77%	0.771	S	S	*	*			trans	-84.1	91.5	169.7	-155.8	0	0	0	0	108.2	T68 T72	T68-C70 VanDerWaalsContact C-N 3.27Å; T68-C70 PolarHBondContact O-N 3.16Å; C70-T72 PolarHBondContact O-N 3.09Å; C70-T72 PolarHBondContact SG-OG1 3.23Å; C70-T72 VanDerWaalsContact SG-OG1 3.4Å
71	S	24.3	Very low	27.2	Very low	114 Å²	114	129.8 Å²	129.8	80%	0.797	77%	0.773	S	S	*	*			trans	-81.9	90.4	166.7	-56	0	0	0	0	107	S69 E73	S69-S71 PolarHBondContact O-N 3.31Å; S71-E73 PolarHBondContact O-N 3.22Å
72	T	28.7	Very low	27.1	Very low	112 Å²	112	131.8 Å²	131.8	69%	0.687	78%	0.775	S	S	*	*			trans	-92.7	94	174.8	-33.9	0	0	0	0	108.2	C70 I74	C70-T72 PolarHBondContact O-N 3.09Å; C70-T72 PolarHBondContact SG-OG1 3.23Å; C70-T72 VanDerWaalsContact SG-OG1 3.4Å; T72-I74 PolarHBondContact O-N 3.39Å
73	E	26.8	Very low	26.9	Very low	181 Å²	181	134.2 Å²	134.2	85%	0.846	78%	0.782	S	S	*	*			trans	-58.9	132	162.3	-77.7	-177.4	155.5	0	0	109.2	S71 C75	S71-E73 PolarHBondContact O-N 3.22Å; E73-C75 PolarHBondContact O-N 3.43Å
74	I	25.5	Very low	27	Very low	171 Å²	171	130.4 Å²	130.4	88%	0.877	78%	0.776	S	S	*	*			trans	-68	94.9	179.7	-61.7	167.1	0	0	0	107.5	T72 G76	T72-I74 PolarHBondContact O-N 3.39Å; I74-G76 PolarHBondContact O-N 2.9Å
75	C	24.5	Very low	26.8	Very low	129 Å²	129	131.1 Å²	131.1	87%	0.872	78%	0.781	S	S	*	*			trans	-87.1	94.5	167.9	-147.8	0	0	0	0	108	E73	E73-C75 PolarHBondContact O-N 3.43Å
76	G	25.9	Very low	26.9	Very low	49 Å²	49	130 Å²	130	51%	0.505	78%	0.783	S	S	.	*			trans	-64.7	148.3	173.8	0	0	0	0	0	111.5	I74 Q78	I74-G76 PolarHBondContact O-N 2.9Å; G76-Q78 PolarHBondContact O-N 3.32Å
77	P	28.2	Very low	26.8	Very low	111 Å²	111	130.6 Å²	130.6	72%	0.721	78%	0.782	S	S	*	*			trans	-69	126.8	-170.8	27.1	-32.3	0	0	0	111.3	F79	P77-F79 PolarHBondContact O-N 3.08Å
78	Q	26.4	Very low	26.9	Very low	188 Å²	188	129.8 Å²	129.8	88%	0.879	78%	0.779	S	S	*	*			trans	-60.4	115.5	164.6	-89	175.2	-30.7	0	0	109	G76 C80	G76-Q78 PolarHBondContact O-N 3.32Å; Q78-C80 PolarHBondContact O-N 2.59Å
79	F	28.7	Very low	27	Very low	183 Å²	183	131 Å²	131	80%	0.803	78%	0.781	S	S	*	*			trans	-67.4	110.2	168.6	-74.6	-92.9	0	0	0	108.3	P77 D81	P77-F79 PolarHBondContact O-N 3.08Å; F79-D81 PolarHBondContact O-N 3.15Å
80	C	27	Very low	26.9	Very low	113 Å²	113	136.1 Å²	136.1	76%	0.764	78%	0.782	S	S	*	*			trans	-76.1	103.6	164.5	-69.8	0	0	0	0	107.9	Q78 L82	Q78-C80 PolarHBondContact O-N 2.59Å; C80-L82 PolarHBondContact O-N 3.4Å
81	D	25.3	Very low	27.1	Very low	158 Å²	158	141.4 Å²	141.4	85%	0.845	79%	0.788	S	S	*	*			trans	-58.3	96.9	170.8	-75.1	-37.5	0	0	0	110.5	F79	F79-D81 PolarHBondContact O-N 3.15Å
82	L	27.8	Very low	27.1	Very low	157 Å²	157	139.7 Å²	139.7	82%	0.822	79%	0.789	S	S	*	*			trans	-89.8	97.5	159.3	-92.9	108	0	0	0	108.6	C80 S84	C80-L82 PolarHBondContact O-N 3.4Å; L82-S84 PolarHBondContact O-N 3.46Å
83	S	25.4	Very low	27	Very low	110 Å²	110	140 Å²	140	77%	0.769	79%	0.791	S	S	*	*			trans	-59.9	106.3	168.2	68.9	0	0	0	0	109.6
84	S	30	Very low	27.1	Very low	106 Å²	106	136.8 Å²	136.8	74%	0.741	79%	0.788	S	S	*	*			trans	-115	89.8	162.6	44.6	0	0	0	0	107.7	L82 A86	L82-S84 PolarHBondContact O-N 3.46Å; S84-A86 PolarHBondContact O-N 3.06Å
85	N	25.6	Very low	27.2	Very low	165 Å²	165	134.4 Å²	134.4	88%	0.882	78%	0.781	S	S	*	*			trans	-64.2	97.7	164.2	-76.4	-23.3	0	0	0	108
86	A	29.6	Very low	27.3	Very low	87 Å²	87	133.8 Å²	133.8	72%	0.719	77%	0.774	S	S	*	*			trans	-131.2	95.8	161.2	0	0	0	0	0	107.3	S84	S84-A86 PolarHBondContact O-N 3.06Å
87	T	26.9	Very low	27.4	Very low	127 Å²	127	138.8 Å²	138.8	78%	0.779	79%	0.789	S	S	*	*			trans	-57.2	133.8	173.6	34.7	0	0	0	0	110.5	D89	T87-D89 PolarHBondContact O-N 3.33Å
88	P	28.7	Very low	27.5	Very low	106 Å²	106	138.3 Å²	138.3	69%	0.688	79%	0.788	S	S	*	*			trans	-84.6	110.4	-174.6	31	-31.5	0	0	0	111.1	W90	P88-W90 PolarHBondContact O-N 2.99Å
89	D	30	Very low	27.7	Very low	157 Å²	157	134.2 Å²	134.2	84%	0.84	78%	0.78	S	S	*	*			trans	-76.3	108.6	170.1	-82.7	-20.7	0	0	0	110.3	T87 Y91	T87-D89 PolarHBondContact O-N 3.33Å; D89-Y91 PolarHBondContact O-N 3.24Å
90	W	24.8	Very low	27.8	Very low	227 Å²	227	132.5 Å²	132.5	86%	0.86	78%	0.779	S	S	*	*			trans	-66.3	118	169.9	-81.7	36.8	0	0	0	111.2	P88	P88-W90 PolarHBondContact O-N 2.99Å
91	Y	28.8	Very low	28.1	Very low	218 Å²	218	134.5 Å²	134.5	86%	0.855	78%	0.782	S	S	*	*			trans	-137.6	95	144.8	-83.6	-78.7	0	0	0	109.5	D89 T93	D89-Y91 PolarHBondContact O-N 3.24Å; Y91-T93 PolarHBondContact O-N 3.17Å
92	G	25.3	Very low	28.7	Very low	79 Å²	79	132.1 Å²	132.1	81%	0.814	78%	0.778	S	S	*	*			trans	-68.8	119.4	163.4	0	0	0	0	0	109.1
93	T	26.3	Very low	28.8	Very low	118 Å²	118	135.6 Å²	135.6	72%	0.724	78%	0.781	S	S	*	*			trans	-121.4	95	163.4	-25.8	0	0	0	0	106.9	Y91 V95	Y91-T93 PolarHBondContact O-N 3.17Å; T93-V95 HydrophobicContact CG2-CG2 4.17Å; T93-V95 PolarHBondContact O-N 2.77Å
94	S	27.7	Very low	29.6	Very low	113 Å²	113	136.4 Å²	136.4	79%	0.79	78%	0.775	S	S	*	*			trans	-67	106.1	164.1	53.2	0	0	0	0	108
95	V	29	Very low	30.1	Very low	121 Å²	121	135.8 Å²	135.8	73%	0.733	76%	0.764	S	S	*	*			trans	-113.7	93.9	165.1	-177.4	0	0	0	0	106.9	T93	T93-V95 HydrophobicContact CG2-CG2 4.17Å; T93-V95 PolarHBondContact O-N 2.77Å
96	T	26.3	Very low	31.4	Very low	116 Å²	116	131.3 Å²	131.3	71%	0.712	75%	0.745	S	S	*	*			trans	-57.7	139.2	164	44.6	0	0	0	0	110.9
97	D	28.4	Very low	32.2	Very low	155 Å²	155	133 Å²	133	83%	0.829	74%	0.742	S	S	*	*			trans	50.9	81.6	154.4	-63.4	-18.7	0	0	0	117.8
98	S	28.8	Very low	33.6	Very low	100 Å²	100	132.4 Å²	132.4	70%	0.699	73%	0.733	S	S	*	*			trans	-117.5	68.8	150	72.9	0	0	0	0	110.4	N100	S98-N100 PolarHBondContact O-N 3.29Å; S98-N100 VanDerWaalsContact O-N 3.12Å
99	S	31	Very low	34.4	Very low	103 Å²	103	130.9 Å²	130.9	72%	0.72	72%	0.722	S	S	*	*			trans	-64.5	99.1	154.9	57	0	0	0	0	108.1
100	N	31.9	Very low	35.4	Very low	146 Å²	146	128 Å²	128	78%	0.781	71%	0.705	S	S	*	*			trans	170.5	34.4	150.6	-89.6	-9.5	0	0	0	115.6	S98 S102	S98-N100 PolarHBondContact O-N 3.29Å; S98-N100 VanDerWaalsContact O-N 3.12Å; N100-S102 PolarHBondContact O-N 3.43Å
101	N	32.3	Very low	36.7	Very low	155 Å²	155	120.7 Å²	120.7	83%	0.829	69%	0.689	S	S	*	*			trans	-97.3	42.4	169.6	-78.6	-9.5	0	0	0	113.2	W103	N101-W103 PolarHBondContact O-N 2.94Å; N101-W103 VanDerWaalsContact O-N 3.15Å
102	S	38	Very low	37.5	Very low	108 Å²	108	117.6 Å²	117.6	76%	0.755	68%	0.677	S	S	*	*			trans	-81.4	28.8	175.7	78.9	0	0	0	0	114	N100	N100-S102 PolarHBondContact O-N 3.43Å
103	W	30.7	Very low	38.9	Very low	230 Å²	230	117.9 Å²	117.9	87%	0.871	66%	0.659	S	S	*	*			trans	-117.8	34.1	-174	-137.9	28.6	0	0	0	115.7	N101	N101-W103 PolarHBondContact O-N 2.94Å; N101-W103 VanDerWaalsContact O-N 3.15Å
104	I	40.6	Very low	40.2	Very low	127 Å²	127	116.6 Å²	116.6	65%	0.651	65%	0.648	S	S	*	*			trans	-99.1	94.9	155.5	-55.7	175	0	0	0	105.7	S106	I104-S106 VanDerWaalsContact C-N 3.27Å; I104-S106 PolarHBondContact O-N 3.24Å
105	N	41.5	Very low	41.4	Very low	94 Å²	94	117.3 Å²	117.3	50%	0.503	64%	0.637	S	S	.	*			trans	-58.6	95.8	167.4	-85.3	-14.8	0	0	0	107.5	D107 I108	N105-D107 PolarHBondContact O-N 2.93Å; N105-I108 HydrophobicContact CB-CD1 4.16Å; N105-I108 HydrophobicContact CB-CG1 4.25Å; N105-I108 PolarHBondContact O-N 3.3Å; N105-I108 VanDerWaalsContact O-N 3.14Å
106	S	53.1	Low	42.4	Very low	71 Å²	71	115.8 Å²	115.8	50%	0.497	62%	0.624	S	S	.	*	H	α-helix	trans	-47.6	-34.5	177.2	49.7	0	0	0	0	111.4	I104 I108 T109 I110	I104-S106 VanDerWaalsContact C-N 3.27Å; I104-S106 PolarHBondContact O-N 3.24Å; S106-I108 PolarHBondContact O-N 3.43Å; S106-T109 PolarHBondContact O-N 2.94Å; S106-I110 WeakPolarHBondContact O-CB 3.49Å; S106-I110 WeakPolarHBondContact O-CG1 3.39Å; S106-I110 PolarHBondContact O-N 3.11Å
107	D	46.8	Very low	43.7	Very low	123 Å²	123	114.5 Å²	114.5	66%	0.658	61%	0.612	S	S	*	*	H	α-helix	trans	-67	-35.1	-174	-64.5	-3.3	0	0	0	113.3	N105 S111	N105-D107 PolarHBondContact O-N 2.93Å; D107-S111 WeakPolarHBondContact O-CB 3.24Å; D107-S111 PolarHBondContact O-N 3.41Å
108	I	55.4	Low	45.2	Very low	114 Å²	114	112 Å²	112	59%	0.585	60%	0.603	S	S	*	*	H	α-helix	trans	-72.3	-41.2	177.6	-62.2	175.1	0	0	0	109.9	N105 S106 S111 Y112	N105-I108 HydrophobicContact CB-CD1 4.16Å; N105-I108 HydrophobicContact CB-CG1 4.25Å; N105-I108 PolarHBondContact O-N 3.3Å; N105-I108 VanDerWaalsContact O-N 3.14Å; S106-I108 PolarHBondContact O-N 3.43Å; I108-S111 PolarHBondContact O-N 2.88Å; I108-Y112 WeakPolarHBondContact O-CB 3.41Å; I108-Y112 PolarHBondContact O-N 2.98Å
109	T	45.5	Very low	45.9	Very low	73 Å²	73	111.6 Å²	111.6	45%	0.448	59%	0.593	S	S	.	*	H	α-helix	trans	-67	-44.2	179.7	-50.1	0	0	0	0	110.8	S106 Y112 L113	S106-T109 PolarHBondContact O-N 2.94Å; T109-Y112 PolarHBondContact O-N 3.31Å; T109-L113 HydrophobicContact CG2-CD1 4.24Å; T109-L113 WeakPolarHBondContact O-CB 3.19Å; T109-L113 WeakPolarHBondContact O-CG 3.11Å; T109-L113 PolarHBondContact O-N 2.76Å
110	I	50.3	Low	46.6	Very low	96 Å²	96	115.2 Å²	115.2	49%	0.492	60%	0.598	S	S	.	*	H	α-helix	trans	-64	-43.2	175.2	-65.7	-89.8	0	0	0	110.5	S106 L113 N114	S106-I110 WeakPolarHBondContact O-CB 3.49Å; S106-I110 WeakPolarHBondContact O-CG1 3.39Å; S106-I110 PolarHBondContact O-N 3.11Å; I110-L113 PolarHBondContact O-N 2.88Å; I110-N114 WeakPolarHBondContact O-CB 2.91Å; I110-N114 PolarHBondContact O-N 2.86Å; I110-N114 PolarHBondContact O-ND2 2.99Å
111	S	52.1	Low	47.1	Very low	75 Å²	75	116 Å²	116	52%	0.524	60%	0.603	S	S	.	*	H	α-helix	trans	-61	-44.4	176.1	168.6	0	0	0	0	111.8	D107 I108 N114 K115	D107-S111 WeakPolarHBondContact O-CB 3.24Å; D107-S111 PolarHBondContact O-N 3.41Å; I108-S111 PolarHBondContact O-N 2.88Å; S111-N114 PolarHBondContact O-N 2.83Å; S111-K115 WeakPolarHBondContact O-CB 3.48Å; S111-K115 PolarHBondContact O-N 3.08Å
112	Y	46.8	Very low	47.4	Very low	153 Å²	153	113.1 Å²	113.1	60%	0.6	60%	0.595	S	S	*	*	H	α-helix	trans	-68.1	-43.1	179.4	-168.9	-99.3	0	0	0	111.6	I108 T109 N114 K115 L116	I108-Y112 WeakPolarHBondContact O-CB 3.41Å; I108-Y112 PolarHBondContact O-N 2.98Å; T109-Y112 PolarHBondContact O-N 3.31Å; Y112-N114 PolarHBondContact O-N 3.46Å; Y112-K115 PolarHBondContact O-N 2.94Å; Y112-L116 HydrophobicContact CD1-CD1 4.27Å; Y112-L116 HydrophobicContact CE1-CD1 3.54Å; Y112-L116 WeakPolarHBondContact O-CB 3.36Å; Y112-L116 PolarHBondContact O-N 2.86Å
113	L	53.8	Low	47.4	Very low	84 Å²	84	115.9 Å²	115.9	44%	0.44	60%	0.601	S	S	.	*	H	α-helix	trans	-60	-44.9	173.7	-79.8	168.1	0	0	0	111.7	T109 I110 K115 L116 L117	T109-L113 HydrophobicContact CG2-CD1 4.24Å; T109-L113 WeakPolarHBondContact O-CB 3.19Å; T109-L113 WeakPolarHBondContact O-CG 3.11Å; T109-L113 PolarHBondContact O-N 2.76Å; I110-L113 PolarHBondContact O-N 2.88Å; L113-K115 VanDerWaalsContact C-N 3.34Å; L113-K115 PolarHBondContact O-N 3.34Å; L113-L116 PolarHBondContact O-N 3.36Å; L113-L117 VanDerWaalsContact O-CB 3.32Å; L113-L117 WeakPolarHBondContact O-CB 3.26Å; L113-L117 WeakPolarHBondContact O-CD1 3.49Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 2.95Å
114	N	53.1	Low	47.9	Very low	92 Å²	92	111.4 Å²	111.4	49%	0.492	59%	0.594	S	S	.	*	H	α-helix	trans	-60.7	-45.3	175.6	-81.6	-26.2	0	0	0	111.1	I110 S111 Y112 L116 L117 T118	I110-N114 WeakPolarHBondContact O-CB 2.91Å; I110-N114 PolarHBondContact O-N 2.86Å; I110-N114 PolarHBondContact O-ND2 2.99Å; S111-N114 PolarHBondContact O-N 2.83Å; Y112-N114 PolarHBondContact O-N 3.46Å; N114-L116 VanDerWaalsContact C-N 3.33Å; N114-L116 PolarHBondContact O-N 3.14Å; N114-L117 PolarHBondContact O-N 3Å; N114-T118 WeakPolarHBondContact O-CB 3.47Å; N114-T118 VanDerWaalsContact O-CG2 3.23Å; N114-T118 WeakPolarHBondContact O-CG2 3.12Å; N114-T118 PolarHBondContact O-N 3.31Å; N114-T118 PolarHBondContact O-OG1 3.32Å
115	K	54.6	Low	47.6	Very low	128 Å²	128	115.4 Å²	115.4	56%	0.557	61%	0.607	S	S	*	*	H	α-helix	trans	-61.8	-42	179.1	-166	173.5	-176.5	-178.1	0	112.1	S111 Y112 L113 L117 T118 D119	S111-K115 WeakPolarHBondContact O-CB 3.48Å; S111-K115 PolarHBondContact O-N 3.08Å; Y112-K115 PolarHBondContact O-N 2.94Å; L113-K115 VanDerWaalsContact C-N 3.34Å; L113-K115 PolarHBondContact O-N 3.34Å; K115-L117 VanDerWaalsContact C-N 3.33Å; K115-L117 PolarHBondContact O-N 3.46Å; K115-T118 WeakPolarHBondContact CA-OG1 3.45Å; K115-T118 PolarHBondContact O-N 3.39Å; K115-T118 PolarHBondContact O-OG1 2.81Å; K115-D119 WeakPolarHBondContact CG-OD2 3.26Å; K115-D119 WeakPolarHBondContact O-CB 3.37Å; K115-D119 VanDerWaalsContact O-CG 3.27Å; K115-D119 PolarHBondContact O-N 3.04Å
116	L	48.3	Very low	47.3	Very low	89 Å²	89	116.6 Å²	116.6	47%	0.466	62%	0.617	S	S	.	*	H	α-helix	trans	-70.5	-30.2	179.6	-151.1	138.3	0	0	0	112.4	Y112 L113 N114	Y112-L116 HydrophobicContact CD1-CD1 4.27Å; Y112-L116 HydrophobicContact CE1-CD1 3.54Å; Y112-L116 WeakPolarHBondContact O-CB 3.36Å; Y112-L116 PolarHBondContact O-N 2.86Å; L113-L116 PolarHBondContact O-N 3.36Å; N114-L116 VanDerWaalsContact C-N 3.33Å; N114-L116 PolarHBondContact O-N 3.14Å
117	L	55.4	Low	46.3	Very low	89 Å²	89	121.7 Å²	121.7	47%	0.466	63%	0.63	S	S	.	*	H	α-helix	trans	-83.2	-18	175.2	-68.8	171.2	0	0	0	113.5	L113 N114 K115 F602	L113-L117 VanDerWaalsContact O-CB 3.32Å; L113-L117 WeakPolarHBondContact O-CB 3.26Å; L113-L117 WeakPolarHBondContact O-CD1 3.49Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 2.95Å; N114-L117 PolarHBondContact O-N 3Å; K115-L117 VanDerWaalsContact C-N 3.33Å; K115-L117 PolarHBondContact O-N 3.46Å; L117-F602 HydrophobicContact CD1-CE1 3.95Å; L117-F602 HydrophobicContact CD2-CE1 3.75Å; L117-F602 HydrophobicContact CD2-CZ 3.76Å; L117-F602 HydrophobicContact CG-CE1 4.3Å
118	T	59.2	Low	46	Very low	103 Å²	103	121.3 Å²	121.3	63%	0.632	64%	0.635	S	S	*	*	H	α-helix	trans	-98.7	-24.1	179.1	56.4	0	0	0	0	113.9	N114 K115 E120	N114-T118 WeakPolarHBondContact O-CB 3.47Å; N114-T118 VanDerWaalsContact O-CG2 3.23Å; N114-T118 WeakPolarHBondContact O-CG2 3.12Å; N114-T118 PolarHBondContact O-N 3.31Å; N114-T118 PolarHBondContact O-OG1 3.32Å; K115-T118 WeakPolarHBondContact CA-OG1 3.45Å; K115-T118 PolarHBondContact O-N 3.39Å; K115-T118 PolarHBondContact O-OG1 2.81Å; T118-E120 PolarHBondContact O-N 3.23Å
119	D	43.8	Very low	45.2	Very low	91 Å²	91	124 Å²	124	49%	0.487	64%	0.644	S	S	.	*			trans	-83.3	53.5	-176.7	-73.1	-6.6	0	0	0	112.3	K115 D121	K115-D119 WeakPolarHBondContact CG-OD2 3.26Å; K115-D119 WeakPolarHBondContact O-CB 3.37Å; K115-D119 VanDerWaalsContact O-CG 3.27Å; K115-D119 PolarHBondContact O-N 3.04Å; D119-D121 PolarHBondContact O-N 2.94Å
120	E	45.9	Very low	45.1	Very low	178 Å²	178	126.9 Å²	126.9	83%	0.832	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	2.8	172.5	-82.8	-169.2	159.9	0	0	114	T118	T118-E120 PolarHBondContact O-N 3.23Å
121	D	40.8	Very low	44.9	Very low	164 Å²	164	124.1 Å²	124.1	88%	0.877	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.1	23.8	-173.2	-83.5	-29.5	0	0	0	115.7	D119	D119-D121 PolarHBondContact O-N 2.94Å
122	S	40.3	Very low	44.4	Very low	94 Å²	94	127.4 Å²	127.4	66%	0.657	66%	0.655	S	S	*	*			trans	-97.2	92.7	171.5	63.7	0	0	0	0	112.7	D124	S122-D124 PolarHBondContact O-N 3.43Å
123	D	37.9	Very low	44.6	Very low	166 Å²	166	124.4 Å²	124.4	89%	0.888	66%	0.655	S	S	*	*			trans	-75	37.1	-179.9	-146	5.5	0	0	0	113.5
124	D	40.2	Very low	44.7	Very low	135 Å²	135	123 Å²	123	72%	0.722	66%	0.656	S	S	*	*			trans	-103.1	91.9	-175.5	-91.8	-27.1	0	0	0	112.2	S122 V126	S122-D124 PolarHBondContact O-N 3.43Å; D124-V126 WeakPolarHBondContact O-CG2 3.45Å; D124-V126 PolarHBondContact O-N 3.36Å
125	K	35.5	Very low	44.6	Very low	211 Å²	211	123.6 Å²	123.6	92%	0.917	66%	0.658	S	S	*	*			trans	9.9	69.1	152.1	-67.1	177.7	178.9	171.7	0	117	K127	K125-K127 PolarHBondContact O-N 3.4Å
126	V	33.6	Very low	44.6	Very low	120 Å²	120	123.7 Å²	123.7	73%	0.727	66%	0.655	S	S	*	*			trans	-84.9	113.4	168.3	-177.1	0	0	0	0	109.1	D124	D124-V126 WeakPolarHBondContact O-CG2 3.45Å; D124-V126 PolarHBondContact O-N 3.36Å
127	K	32.2	Very low	45.3	Very low	178 Å²	178	122.3 Å²	122.3	77%	0.774	66%	0.657	S	S	*	*			trans	-58.3	135.9	173	-75.1	176.9	176.8	175.9	0	110.1	K125 H129	K125-K127 PolarHBondContact O-N 3.4Å; K127-H129 PolarHBondContact O-N 2.98Å
128	P	42	Very low	45.7	Very low	115 Å²	115	122.9 Å²	122.9	75%	0.747	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-69.8	-2.9	-164.9	23.4	-32.5	0	0	0	116.6	H130	P128-H130 VanDerWaalsContact C-N 3.28Å; P128-H130 PolarHBondContact O-N 2.94Å
129	H	37.4	Very low	45.9	Very low	170 Å²	170	121.3 Å²	121.3	79%	0.787	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-85.4	12.2	179.6	-62.1	-54.2	0	0	0	114.9	K127	K127-H129 PolarHBondContact O-N 2.98Å
130	H	43.3	Very low	46.9	Very low	134 Å²	134	121.2 Å²	121.2	62%	0.62	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-111	-10.4	174.7	-75.1	-2.2	0	0	0	114.4	P128 E132 A134	P128-H130 VanDerWaalsContact C-N 3.28Å; P128-H130 PolarHBondContact O-N 2.94Å; H130-E132 PolarHBondContact O-N 2.8Å; H130-A134 VanDerWaalsContact O-CB 3.22Å; H130-A134 WeakPolarHBondContact O-CB 3.31Å; H130-A134 PolarHBondContact O-N 2.96Å
131	G	45.8	Very low	47.9	Very low	38 Å²	38	116.1 Å²	116.1	39%	0.392	62%	0.622	S	S	.	*	H	α-helix	trans	-63.2	-44	-176.4	0	0	0	0	0	113.6	A134 L135	G131-A134 PolarHBondContact O-N 2.79Å; G131-L135 WeakPolarHBondContact O-CB 3.24Å; G131-L135 WeakPolarHBondContact O-CG 3.19Å; G131-L135 PolarHBondContact O-N 3Å
132	E	43.3	Very low	49	Very low	144 Å²	144	114.9 Å²	114.9	67%	0.673	61%	0.61	S	S	*	*	H	α-helix	trans	-71.9	-39.1	-175.7	-162.3	170.4	173.1	0	0	112.5	H130 R136	H130-E132 PolarHBondContact O-N 2.8Å; E132-R136 WeakPolarHBondContact O-CB 3.46Å; E132-R136 PolarHBondContact O-N 2.85Å; E132-R136 IonicContact OE1-NH2 3.01Å
133	C	50.8	Low	50.4	Low	89 Å²	89	113.3 Å²	113.3	60%	0.601	59%	0.589	S	S	*	*	H	α-helix	trans	-66.9	-38.7	172.5	-68.3	0	0	0	0	111.9	R136 A137	C133-R136 PolarHBondContact O-N 3.21Å; C133-A137 WeakPolarHBondContact O-CB 3.19Å; C133-A137 PolarHBondContact O-N 3.37Å
134	A	54.8	Low	51.7	Low	55 Å²	55	114.3 Å²	114.3	46%	0.455	58%	0.581	S	S	.	*	H	α-helix	trans	-66	-42.2	177.3	0	0	0	0	0	111.8	H130 G131 A137 M138	H130-A134 VanDerWaalsContact O-CB 3.22Å; H130-A134 WeakPolarHBondContact O-CB 3.31Å; H130-A134 PolarHBondContact O-N 2.96Å; G131-A134 PolarHBondContact O-N 2.79Å; A134-A137 PolarHBondContact O-N 3.31Å; A134-M138 WeakPolarHBondContact O-CG 3.44Å; A134-M138 PolarHBondContact O-N 2.98Å
135	L	52.2	Low	52.9	Low	105 Å²	105	113.9 Å²	113.9	55%	0.55	58%	0.577	S	S	.	*	H	α-helix	trans	-62.2	-46	174.2	-77.5	164.9	0	0	0	111.4	G131 A137 M138 E139	G131-L135 WeakPolarHBondContact O-CB 3.24Å; G131-L135 WeakPolarHBondContact O-CG 3.19Å; G131-L135 PolarHBondContact O-N 3Å; L135-A137 VanDerWaalsContact C-N 3.31Å; L135-A137 PolarHBondContact O-N 3.32Å; L135-M138 HydrophobicContact CD2-CE 4.33Å; L135-M138 WeakPolarHBondContact O-CB 3.31Å; L135-M138 PolarHBondContact O-N 3.48Å; L135-E139 PolarHBondContact O-N 2.86Å
136	R	54.2	Low	54.5	Low	130 Å²	130	108.9 Å²	108.9	49%	0.491	56%	0.56	S	S	.	*	H	α-helix	trans	-62.9	-37.3	178.4	-158.5	179.5	-71.9	166.2	-1.1	112.1	E132 C133 M138 E139 E140	E132-R136 WeakPolarHBondContact O-CB 3.46Å; E132-R136 PolarHBondContact O-N 2.85Å; E132-R136 IonicContact OE1-NH2 3.01Å; C133-R136 PolarHBondContact O-N 3.21Å; R136-M138 VanDerWaalsContact C-N 3.35Å; R136-E139 PolarHBondContact O-N 3.11Å; R136-E140 PolarHBondContact O-N 3.33Å
137	A	63.4	Low	56	Low	60 Å²	60	107.7 Å²	107.7	50%	0.496	56%	0.562	S	S	.	*	H	α-helix	trans	-69.8	-29.5	173.4	0	0	0	0	0	113	C133 A134 L135 P141	C133-A137 WeakPolarHBondContact O-CB 3.19Å; C133-A137 PolarHBondContact O-N 3.37Å; A134-A137 PolarHBondContact O-N 3.31Å; L135-A137 VanDerWaalsContact C-N 3.31Å; L135-A137 PolarHBondContact O-N 3.32Å; A137-P141 VanDerWaalsContact O-CD 3.25Å; A137-P141 WeakPolarHBondContact O-CD 3.32Å
138	M	63.1	Low	57.1	Low	101 Å²	101	104.9 Å²	104.9	50%	0.498	55%	0.552	S	S	.	*	H	α-helix	trans	-74.7	-28.8	174.1	-76	-142	-61.6	0	0	113.4	A134 L135 R136 P141 F142	A134-M138 WeakPolarHBondContact O-CG 3.44Å; A134-M138 PolarHBondContact O-N 2.98Å; L135-M138 HydrophobicContact CD2-CE 4.33Å; L135-M138 WeakPolarHBondContact O-CB 3.31Å; L135-M138 PolarHBondContact O-N 3.48Å; R136-M138 VanDerWaalsContact C-N 3.35Å; M138-P141 WeakPolarHBondContact O-CD 3.38Å; M138-F142 WeakPolarHBondContact O-CD2 3.38Å
139	E	63	Low	57.9	Low	70 Å²	70	106.9 Å²	106.9	33%	0.327	56%	0.557	S	S	.	*	H	α-helix	trans	-76.2	-31	177.3	-74.2	-177	174.1	0	0	112.9	L135 R136 F142 Y143	L135-E139 PolarHBondContact O-N 2.86Å; R136-E139 PolarHBondContact O-N 3.11Å; E139-F142 WeakPolarHBondContact O-CB 3.33Å; E139-F142 PolarHBondContact O-N 2.65Å; E139-Y143 HydrophobicContact CB-CD2 4.19Å; E139-Y143 HydrophobicContact CB-CE2 4.04Å; E139-Y143 WeakPolarHBondContact O-CD2 3.48Å; E139-Y143 PolarHBondContact O-N 2.99Å; E139-Y143 VanDerWaalsContact O-N 3.16Å
140	E	64.8	Low	58.5	Low	89 Å²	89	102 Å²	102	42%	0.416	54%	0.536	S	S	.	.	H	α-helix	trans	-56.2	-43.1	-174.5	-161.5	-171.3	154.3	0	0	113.9	R136 F142 Y143 R144	R136-E140 PolarHBondContact O-N 3.33Å; E140-F142 VanDerWaalsContact C-N 3.32Å; E140-F142 PolarHBondContact O-N 2.58Å; E140-Y143 PolarHBondContact O-N 2.63Å; E140-R144 WeakPolarHBondContact O-CG 3.22Å; E140-R144 PolarHBondContact O-N 3.35Å; E140-R144 IonicContact OE1-CZ 3.47Å; E140-R144 IonicContact OE1-NE 3.29Å; E140-R144 PolarHBondContact OE1-NE 3.19Å; E140-R144 IonicContact OE1-NH2 2.75Å; E140-R144 PolarHBondContact OE1-NH2 3.15Å
141	P	67.9	Low	58.8	Low	70 Å²	70	99.1 Å²	99.1	46%	0.455	53%	0.529	S	S	.	.	H	α-helix	trans	-59.6	-38.1	173.4	-22.7	32.6	0	0	0	113.4	A137 M138 R144 I145	A137-P141 VanDerWaalsContact O-CD 3.25Å; A137-P141 WeakPolarHBondContact O-CD 3.32Å; M138-P141 WeakPolarHBondContact O-CD 3.38Å; P141-R144 PolarHBondContact O-N 3.06Å; P141-I145 WeakPolarHBondContact O-CD1 3.4Å; P141-I145 VanDerWaalsContact O-CG1 3.25Å; P141-I145 WeakPolarHBondContact O-CG1 3.26Å; P141-I145 PolarHBondContact O-N 3.25Å
142	F	63.4	Low	58.9	Low	139 Å²	139	102 Å²	102	61%	0.61	55%	0.549	S	S	*	.	H	α-helix	trans	-67	-44	-179.9	-74.5	-83.5	0	0	0	111.5	M138 E139 E140 R144 I145 L146	M138-F142 WeakPolarHBondContact O-CD2 3.38Å; E139-F142 WeakPolarHBondContact O-CB 3.33Å; E139-F142 PolarHBondContact O-N 2.65Å; E140-F142 VanDerWaalsContact C-N 3.32Å; E140-F142 PolarHBondContact O-N 2.58Å; F142-R144 VanDerWaalsContact C-N 3.34Å; F142-R144 PolarHBondContact O-N 2.95Å; F142-I145 PolarHBondContact O-N 3.21Å; F142-L146 WeakPolarHBondContact O-CG 3.47Å; F142-L146 PolarHBondContact O-N 3.04Å
143	Y	70.6	Confident	58.9	Low	60 Å²	60	102.5 Å²	102.5	24%	0.235	55%	0.546	C	S	.	.	H	α-helix	trans	-65.6	-36.7	175.8	-75.7	-69.5	0	0	0	112.5	E139 E140 I145 L146 A147 Q148	E139-Y143 HydrophobicContact CB-CD2 4.19Å; E139-Y143 HydrophobicContact CB-CE2 4.04Å; E139-Y143 WeakPolarHBondContact O-CD2 3.48Å; E139-Y143 PolarHBondContact O-N 2.99Å; E139-Y143 VanDerWaalsContact O-N 3.16Å; E140-Y143 PolarHBondContact O-N 2.63Å; Y143-I145 VanDerWaalsContact C-N 3.33Å; Y143-I145 PolarHBondContact O-N 3.38Å; Y143-L146 PolarHBondContact O-N 3.24Å; Y143-A147 PolarHBondContact O-N 3.24Å; Y143-A147 VanDerWaalsContact O-N 3.09Å; Y143-Q148 HydrophobicContact CD1-CB 4.34Å; Y143-Q148 PolarHBondContact O-N 3.21Å; Y143-Q148 VanDerWaalsContact O-N 3.17Å
144	R	63.8	Low	58.2	Low	188 Å²	188	104 Å²	104	71%	0.709	56%	0.555	S	S	*	*	H	α-helix	trans	-62.1	-39.5	172.5	-75	-170.4	-170.5	-166.4	6	112.3	E140 P141 F142 A147	E140-R144 WeakPolarHBondContact O-CG 3.22Å; E140-R144 PolarHBondContact O-N 3.35Å; E140-R144 IonicContact OE1-CZ 3.47Å; E140-R144 IonicContact OE1-NE 3.29Å; E140-R144 PolarHBondContact OE1-NE 3.19Å; E140-R144 IonicContact OE1-NH2 2.75Å; E140-R144 PolarHBondContact OE1-NH2 3.15Å; P141-R144 PolarHBondContact O-N 3.06Å; F142-R144 VanDerWaalsContact C-N 3.34Å; F142-R144 PolarHBondContact O-N 2.95Å; R144-A147 PolarHBondContact O-N 3.42Å
145	I	66.4	Low	57.4	Low	125 Å²	125	110.5 Å²	110.5	64%	0.641	58%	0.576	S	S	*	*	H	α-helix	trans	-67.1	-38.2	176.4	-69.1	163.5	0	0	0	111.1	P141 F142 Y143 A147	P141-I145 WeakPolarHBondContact O-CD1 3.4Å; P141-I145 VanDerWaalsContact O-CG1 3.25Å; P141-I145 WeakPolarHBondContact O-CG1 3.26Å; P141-I145 PolarHBondContact O-N 3.25Å; F142-I145 PolarHBondContact O-N 3.21Å; Y143-I145 VanDerWaalsContact C-N 3.33Å; Y143-I145 PolarHBondContact O-N 3.38Å; I145-A147 PolarHBondContact O-N 2.94Å
146	L	68.4	Low	56.7	Low	107 Å²	107	110.6 Å²	110.6	56%	0.56	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-5.1	177.9	-67.6	173.7	0	0	0	113.8	F142 Y143 Q148	F142-L146 WeakPolarHBondContact O-CG 3.47Å; F142-L146 PolarHBondContact O-N 3.04Å; Y143-L146 PolarHBondContact O-N 3.24Å; L146-Q148 HydrophobicContact CB-CB 4.37Å; L146-Q148 HydrophobicContact CB-CG 4.25Å; L146-Q148 PolarHBondContact O-N 3.29Å
147	A	64.3	Low	55.6	Low	94 Å²	94	109.9 Å²	109.9	78%	0.777	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.5	34.7	-171.1	0	0	0	0	0	113.1	Y143 R144 I145	Y143-A147 PolarHBondContact O-N 3.24Å; Y143-A147 VanDerWaalsContact O-N 3.09Å; R144-A147 PolarHBondContact O-N 3.42Å; I145-A147 PolarHBondContact O-N 2.94Å
148	Q	56.3	Low	54.2	Low	119 Å²	119	112.1 Å²	112.1	56%	0.556	61%	0.609	S	S	*	*			trans	-111.4	138.9	178.6	-71.9	176	7.5	0	0	109.9	Y143 L146	Y143-Q148 HydrophobicContact CD1-CB 4.34Å; Y143-Q148 PolarHBondContact O-N 3.21Å; Y143-Q148 VanDerWaalsContact O-N 3.17Å; L146-Q148 HydrophobicContact CB-CB 4.37Å; L146-Q148 HydrophobicContact CB-CG 4.25Å; L146-Q148 PolarHBondContact O-N 3.29Å
149	N	57.9	Low	52.7	Low	158 Å²	158	115.6 Å²	115.6	85%	0.845	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-73	134.3	175.1	-70.9	-27.6	0	0	0	110
150	N	50.5	Low	51.2	Low	66 Å²	66	117.9 Å²	117.9	35%	0.353	65%	0.651	S	S	.	*	P	Polyproline II helix	trans	-58.2	121.2	177.1	-170	-13.9	0	0	0	109.8	A152	N150-A152 PolarHBondContact O-N 2.89Å
151	P	51	Low	49.6	Very low	74 Å²	74	119 Å²	119	48%	0.481	67%	0.669	S	S	.	*	P	Polyproline II helix	trans	-63.3	125.5	-178.3	23	-31.3	0	0	0	110.9	Y153	P151-Y153 PolarHBondContact O-N 3.35Å
152	A	47.4	Very low	47.8	Very low	98 Å²	98	126.6 Å²	126.6	81%	0.81	69%	0.689	S	S	*	*			trans	-63.2	107.7	174	0	0	0	0	0	109.2	N150	N150-A152 PolarHBondContact O-N 2.89Å
153	Y	42	Very low	46.1	Very low	156 Å²	156	123.5 Å²	123.5	61%	0.612	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-59.9	128	176.1	-82.6	-93.2	0	0	0	109.6	P151 E155	P151-Y153 PolarHBondContact O-N 3.35Å; Y153-E155 PolarHBondContact O-N 3.48Å
154	P	38	Very low	44.2	Very low	119 Å²	119	130 Å²	130	77%	0.773	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-61.9	124.7	174.8	23.3	-30	0	0	0	109	S156	P154-S156 PolarHBondContact O-N 3.47Å; P154-S156 VanDerWaalsContact O-N 3.09Å
155	E	37.5	Very low	42.6	Very low	192 Å²	192	128.9 Å²	128.9	90%	0.897	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-49.8	117.7	177.2	-70.7	-177.1	159.5	0	0	109.3	Y153	Y153-E155 PolarHBondContact O-N 3.48Å
156	S	36	Very low	40.7	Very low	107 Å²	107	129.1 Å²	129.1	75%	0.748	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-60.5	128.9	179.1	48.3	0	0	0	0	109.1	P154 S158	P154-S156 PolarHBondContact O-N 3.47Å; P154-S156 VanDerWaalsContact O-N 3.09Å; S156-S158 PolarHBondContact O-N 3.23Å
157	P	32.8	Very low	38.8	Very low	115 Å²	115	131.5 Å²	131.5	75%	0.747	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-64.1	125.5	-174.9	23.4	-30.2	0	0	0	109.3	L159	P157-L159 PolarHBondContact O-N 3.09Å
158	S	33	Very low	37	Very low	107 Å²	107	135.4 Å²	135.4	75%	0.748	76%	0.758	S	S	*	*			trans	-54.6	99.6	179.2	57.9	0	0	0	0	110.4	S156 C160	S156-S158 PolarHBondContact O-N 3.23Å; S158-C160 PolarHBondContact O-N 3.15Å
159	L	32.6	Very low	35.7	Very low	174 Å²	174	132.5 Å²	132.5	91%	0.911	76%	0.76	S	S	*	*	S	Bend	trans	-70.4	127.4	172.9	-90.1	146	0	0	0	109.1	P157	P157-L159 PolarHBondContact O-N 3.09Å
160	C	30.8	Very low	34.3	Very low	118 Å²	118	132.4 Å²	132.4	80%	0.797	76%	0.76	S	S	*	*			trans	87.9	64.6	179.3	-149.9	0	0	0	0	116.9	S158 R162	S158-C160 PolarHBondContact O-N 3.15Å; C160-R162 PolarHBondContact O-N 3.26Å
161	S	31.7	Very low	33.4	Very low	113 Å²	113	136.6 Å²	136.6	79%	0.79	78%	0.782	S	S	*	*			trans	-78.5	80.9	158.6	45.6	0	0	0	0	110.7
162	R	28.6	Very low	32.3	Very low	230 Å²	230	140.2 Å²	140.2	87%	0.868	80%	0.796	S	S	*	*			trans	-126.1	87.7	164.4	-114	179.3	-178.9	-178.9	0.4	111.8	C160	C160-R162 PolarHBondContact O-N 3.26Å
163	G	29.8	Very low	31.4	Very low	73 Å²	73	142.6 Å²	142.6	75%	0.753	80%	0.795	S	S	*	*			trans	34.1	86.1	145.8	0	0	0	0	0	117	L165	G163-L165 PolarHBondContact O-N 2.69Å
164	H	30.6	Very low	30.8	Very low	197 Å²	197	145.1 Å²	145.1	91%	0.912	81%	0.809	S	S	*	*			trans	-66.5	90.9	152.9	-92.4	-79	0	0	0	108.3	N166	H164-N166 PolarHBondContact O-N 3.02Å
165	L	28.9	Very low	30.4	Very low	165 Å²	165	144.4 Å²	144.4	86%	0.864	81%	0.807	S	S	*	*			trans	-66.1	126.4	168.6	-157.9	80.2	0	0	0	108.5	G163	G163-L165 PolarHBondContact O-N 2.69Å
166	N	26.9	Very low	30.1	Very low	129 Å²	129	143.7 Å²	143.7	69%	0.69	81%	0.808	S	S	*	*			trans	-33.4	147.5	175.4	-59	-36.9	0	0	0	117.6	H164	H164-N166 PolarHBondContact O-N 3.02Å
167	N	27.8	Very low	29.8	Very low	158 Å²	158	142 Å²	142	85%	0.845	81%	0.807	S	S	*	*			trans	66.8	114.5	150.7	-60.3	-27.3	0	0	0	117.3
168	L	28.3	Very low	29.7	Very low	175 Å²	175	145.7 Å²	145.7	92%	0.916	82%	0.815	S	S	*	*				175.2	120.9	107.4	-169.5	64.9	0	0	0	111
169	G	28	Very low	29.7	Very low	58 Å²	58	146 Å²	146	60%	0.598	82%	0.815	S	S	*	*			trans	36.9	120.3	142.7	0	0	0	0	0	122
170	D	28.8	Very low	30	Very low	157 Å²	157	140.9 Å²	140.9	84%	0.84	79%	0.792	S	S	*	*				40.2	92.3	128.6	-56.9	-20.7	0	0	0	118.6
171	N	30.4	Very low	30.6	Very low	154 Å²	154	140.9 Å²	140.9	82%	0.824	79%	0.794	S	S	*	*				-177.4	133.9	108.2	-112.6	-58.1	0	0	0	111	N173	N171-N173 PolarHBondContact O-N 3.38Å
172	I	27.8	Very low	31	Very low	149 Å²	149	141 Å²	141	76%	0.764	80%	0.795	S	S	*	*			trans	-62.4	105.6	172.5	-63.2	163	0	0	0	107.6
173	N	29.4	Very low	31.3	Very low	149 Å²	149	134.2 Å²	134.2	80%	0.797	78%	0.781	S	S	*	*			trans	-145	119.8	153.1	-95	-33.1	0	0	0	110.2	N171 S175	N171-N173 PolarHBondContact O-N 3.38Å; N173-S175 PolarHBondContact O-N 3.44Å
174	K	29.2	Very low	31.4	Very low	209 Å²	209	135 Å²	135	91%	0.909	78%	0.775	S	S	*	*			trans	-65.2	88.3	179.6	-66	173	176.8	176.8	0	109.4
175	S	30.3	Very low	31.4	Very low	104 Å²	104	131.8 Å²	131.8	73%	0.727	77%	0.769	S	S	*	*			trans	-108.9	113.2	160	59.2	0	0	0	0	108.5	N173 G177	N173-S175 PolarHBondContact O-N 3.44Å; S175-G177 PolarHBondContact O-N 2.68Å; S175-G177 VanDerWaalsContact O-N 3.07Å
176	L	30.2	Very low	31.5	Very low	177 Å²	177	128.4 Å²	128.4	93%	0.927	77%	0.765	S	S	*	*			trans	-34.9	111.2	167.2	-104.7	68.2	0	0	0	110.2	Q178	L176-Q178 PolarHBondContact O-N 3.14Å
177	G	29.8	Very low	31.6	Very low	71 Å²	71	128.3 Å²	128.3	73%	0.732	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-60.9	128.4	171.9	0	0	0	0	0	109.7	S175	S175-G177 PolarHBondContact O-N 2.68Å; S175-G177 VanDerWaalsContact O-N 3.07Å
178	Q	31.5	Very low	31.6	Very low	193 Å²	193	127.3 Å²	127.3	90%	0.902	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-57.2	131.6	175.9	-107.8	173.8	-40.7	0	0	110.5	L176	L176-Q178 PolarHBondContact O-N 3.14Å
179	P	33.4	Very low	31.6	Very low	114 Å²	114	129.6 Å²	129.6	74%	0.74	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-70.2	145.4	-179.2	-12.1	26.8	0	0	0	111.6	S181	P179-S181 PolarHBondContact O-N 3.25Å; P179-S181 VanDerWaalsContact O-N 3.11Å
180	C	37.5	Very low	31.7	Very low	65 Å²	65	130.7 Å²	130.7	44%	0.439	75%	0.753	S	S	.	*			trans	-58.2	114.9	175.9	129.9	0	0	0	0	110.1	S182 C183	C180-S182 PolarHBondContact O-N 3.27Å; C180-S182 VanDerWaalsContact O-N 3.11Å; C180-C183 WeakPolarHBondContact CB-SG 3.32Å; C180-C183 PolarHBondContact O-N 2.85Å; C180-C183 PolarHBondContact O-SG 3.03Å; C180-C183 WeakPolarHBondContact SG-CB 3.03Å; C180-C183 PolarHBondContact SG-N 2.87Å; C180-C183 CovalentContact SG-SG 2.06Å; C180-C183 PolarHBondContact SG-SG 3.09Å
181	S	43.1	Very low	31.6	Very low	119 Å²	119	130.1 Å²	130.1	83%	0.832	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	1.5	-174.2	61.2	0	0	0	0	114.1	P179	P179-S181 PolarHBondContact O-N 3.25Å; P179-S181 VanDerWaalsContact O-N 3.11Å
182	S	41.4	Very low	31.5	Very low	116 Å²	116	128.1 Å²	128.1	81%	0.811	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	5.3	171.4	86.6	0	0	0	0	113.5	C180	C180-S182 PolarHBondContact O-N 3.27Å; C180-S182 VanDerWaalsContact O-N 3.11Å
183	C	33.8	Very low	31.4	Very low	87 Å²	87	128.9 Å²	128.9	59%	0.588	75%	0.748	S	S	*	*			trans	-128.6	24.4	-177.4	54.2	0	0	0	0	113.3	C180 V185	C180-C183 WeakPolarHBondContact CB-SG 3.32Å; C180-C183 PolarHBondContact O-N 2.85Å; C180-C183 PolarHBondContact O-SG 3.03Å; C180-C183 WeakPolarHBondContact SG-CB 3.03Å; C180-C183 PolarHBondContact SG-N 2.87Å; C180-C183 CovalentContact SG-SG 2.06Å; C180-C183 PolarHBondContact SG-SG 3.09Å; C183-V185 PolarHBondContact O-N 2.83Å
184	S	32.4	Very low	31.5	Very low	90 Å²	90	125.4 Å²	125.4	63%	0.629	74%	0.736	S	S	*	*			trans	-73.9	87.4	178.9	-58.2	0	0	0	0	112.7
185	V	31.3	Very low	31.4	Very low	128 Å²	128	123.2 Å²	123.2	78%	0.776	73%	0.734	S	S	*	*			trans	-111.2	68.6	144.5	-172.1	0	0	0	0	106.7	C183 I187	C183-V185 PolarHBondContact O-N 2.83Å; V185-I187 HydrophobicContact CG1-CD1 4.38Å; V185-I187 HydrophobicContact CG1-CG1 3.95Å; V185-I187 PolarHBondContact O-N 3.49Å
186	A	30.7	Very low	31.1	Very low	95 Å²	95	125.2 Å²	125.2	79%	0.785	73%	0.731	S	S	*	*			trans	-85.9	96.7	167.5	0	0	0	0	0	107	D188	A186-D188 PolarHBondContact O-N 3.26Å
187	I	29	Very low	31	Very low	127 Å²	127	124.1 Å²	124.1	65%	0.651	73%	0.725	S	S	*	*			trans	-72.5	105.9	172.4	-55.6	177.3	0	0	0	106.3	V185 W189	V185-I187 HydrophobicContact CG1-CD1 4.38Å; V185-I187 HydrophobicContact CG1-CG1 3.95Å; V185-I187 PolarHBondContact O-N 3.49Å; I187-W189 PolarHBondContact O-N 3.39Å
188	D	26.6	Very low	30.7	Very low	137 Å²	137	129.2 Å²	129.2	73%	0.733	73%	0.734	S	S	*	*			trans	-71.9	117.5	174.3	-165.7	6.6	0	0	0	109.3	A186 S190	A186-D188 PolarHBondContact O-N 3.26Å; D188-S190 VanDerWaalsContact C-N 3.33Å; D188-S190 PolarHBondContact O-N 3.43Å
189	W	29.2	Very low	30.4	Very low	222 Å²	222	127.4 Å²	127.4	84%	0.841	73%	0.726	S	S	*	*			trans	-91.5	20	-172.2	-93.2	48.4	0	0	0	113.6	I187	I187-W189 PolarHBondContact O-N 3.39Å
190	S	29.9	Very low	30	Very low	81 Å²	81	126.1 Å²	126.1	57%	0.566	73%	0.725	S	S	*	*			trans	-106.3	69.3	174.3	65	0	0	0	0	111.9	D188	D188-S190 VanDerWaalsContact C-N 3.33Å; D188-S190 PolarHBondContact O-N 3.43Å
191	N	27.1	Very low	29.4	Very low	146 Å²	146	132.2 Å²	132.2	78%	0.781	74%	0.744	S	S	*	*			trans	-169.9	31.5	152.5	-106.4	-3.4	0	0	0	115.6	H193	N191-H193 VanDerWaalsContact C-N 3.31Å; N191-H193 PolarHBondContact O-N 2.89Å
192	S	28.5	Very low	28.4	Very low	111 Å²	111	135.5 Å²	135.5	78%	0.776	75%	0.747	S	S	*	*			trans	-81.5	83.8	165.7	63.3	0	0	0	0	109.6	S194	S192-S194 PolarHBondContact O-N 2.93Å
193	H	25.6	Very low	27.9	Very low	165 Å²	165	133.2 Å²	133.2	76%	0.764	74%	0.735	S	S	*	*			trans	-55.4	125.7	156.1	-87.4	-66	0	0	0	108.1	N191 N195	N191-H193 VanDerWaalsContact C-N 3.31Å; N191-H193 PolarHBondContact O-N 2.89Å; H193-N195 PolarHBondContact O-N 3.22Å; H193-N195 VanDerWaalsContact O-N 3.15Å
194	S	30.3	Very low	27.7	Very low	77 Å²	77	135 Å²	135	54%	0.538	75%	0.745	S	S	.	*			trans	-53.8	112.6	-178	43.2	0	0	0	0	111.7	S192 H196	S192-S194 PolarHBondContact O-N 2.93Å; S194-H196 VanDerWaalsContact CB-CD2 3.44Å; S194-H196 WeakPolarHBondContact CB-CD2 3.3Å; S194-H196 VanDerWaalsContact CB-NE2 3.3Å; S194-H196 WeakPolarHBondContact CB-NE2 3.43Å; S194-H196 PolarHBondContact O-N 3.5Å; S194-H196 PolarHBondContact OG-CD2 3.46Å; S194-H196 PolarHBondContact OG-NE2 3.28Å
195	N	28.1	Very low	27.6	Very low	163 Å²	163	135.5 Å²	135.5	87%	0.872	73%	0.733	S	S	*	*			trans	-72.5	79.9	163.4	-80	-40.7	0	0	0	108.7	H193 I197	H193-N195 PolarHBondContact O-N 3.22Å; H193-N195 VanDerWaalsContact O-N 3.15Å; N195-I197 PolarHBondContact O-N 2.88Å
196	H	24.3	Very low	27.6	Very low	145 Å²	145	132.6 Å²	132.6	67%	0.671	72%	0.719	S	S	*	*			trans	-72.1	71	169.4	-70.1	-76.7	0	0	0	110.9	S194	S194-H196 VanDerWaalsContact CB-CD2 3.44Å; S194-H196 WeakPolarHBondContact CB-CD2 3.3Å; S194-H196 VanDerWaalsContact CB-NE2 3.3Å; S194-H196 WeakPolarHBondContact CB-NE2 3.43Å; S194-H196 PolarHBondContact O-N 3.5Å; S194-H196 PolarHBondContact OG-CD2 3.46Å; S194-H196 PolarHBondContact OG-NE2 3.28Å
197	I	26.6	Very low	27.7	Very low	155 Å²	155	132.7 Å²	132.7	80%	0.795	71%	0.705	S	S	*	*			trans	-143.5	57.8	162.1	-46.2	178.3	0	0	0	110.1	N195	N195-I197 PolarHBondContact O-N 2.88Å
198	L	24.9	Very low	27.9	Very low	177 Å²	177	129.6 Å²	129.6	93%	0.927	70%	0.695	S	S	*	*			trans	-145.7	53.6	155.8	-77.4	179.9	0	0	0	108.5	A200	L198-A200 PolarHBondContact O-N 3.28Å; L198-A200 VanDerWaalsContact O-N 3.14Å
199	Q	23.9	Very low	28.4	Very low	155 Å²	155	127.1 Å²	127.1	72%	0.724	68%	0.681	S	S	*	*			trans	-78	95.6	163	-82.9	-179.1	-13.1	0	0	107.5	F201	Q199-F201 PolarHBondContact O-N 2.83Å; Q199-F201 VanDerWaalsContact O-N 3.11Å
200	A	25.4	Very low	28.7	Very low	87 Å²	87	117.9 Å²	117.9	72%	0.719	65%	0.65	S	S	*	*			trans	-56.8	110.8	159.6	0	0	0	0	0	107.3	L198 E202	L198-A200 PolarHBondContact O-N 3.28Å; L198-A200 VanDerWaalsContact O-N 3.14Å; A200-E202 PolarHBondContact O-N 2.85Å
201	F	24.5	Very low	29	Very low	193 Å²	193	118 Å²	118	85%	0.846	65%	0.647	S	S	*	*			trans	-66.7	100.6	172.4	-74.8	-88.6	0	0	0	108.1	Q199 A203	Q199-F201 PolarHBondContact O-N 2.83Å; Q199-F201 VanDerWaalsContact O-N 3.11Å; F201-A203 PolarHBondContact O-N 2.8Å; F201-A203 VanDerWaalsContact O-N 3.16Å
202	E	23.8	Very low	29.6	Very low	189 Å²	189	118.4 Å²	118.4	88%	0.883	64%	0.642	S	S	*	*			trans	-63.9	107.7	163.7	-73.1	-174.7	150.2	0	0	108.1	A200	A200-E202 PolarHBondContact O-N 2.85Å
203	A	29.2	Very low	30.2	Very low	68 Å²	68	119.1 Å²	119.1	56%	0.562	63%	0.633	S	S	*	*			trans	-78.8	132.7	178	0	0	0	0	0	110	F201 W205	F201-A203 PolarHBondContact O-N 2.8Å; F201-A203 VanDerWaalsContact O-N 3.16Å; A203-W205 PolarHBondContact O-N 3.36Å
204	P	30.3	Very low	30.6	Very low	124 Å²	124	113.6 Å²	113.6	81%	0.805	61%	0.611	S	S	*	*			trans	-95.2	80.5	-170.1	36.2	-32.2	0	0	0	111.1
205	W	31.5	Very low	30.7	Very low	101 Å²	101	114.6 Å²	114.6	38%	0.383	62%	0.617	S	S	.	*			trans	-166.1	150.5	161.6	43.1	-91.6	0	0	0	112.4	A203 V210 T354 H358	A203-W205 PolarHBondContact O-N 3.36Å; W205-V210 HydrophobicContact CE3-CG2 3.86Å; W205-V210 HydrophobicContact CH2-CG2 3.51Å; W205-V210 HydrophobicContact CZ3-CB 4.42Å; W205-V210 HydrophobicContact CZ3-CG2 3.1Å; W205-T354 HydrophobicContact CH2-CG2 3.29Å; W205-T354 HydrophobicContact CZ2-CG2 3.24Å; W205-T354 HydrophobicContact CZ3-CG2 4.37Å; W205-H358 AromaticContact CH2-CE1 3.38Å; W205-H358 WeakPolarHBondContact CH2-CE1 3.33Å; W205-H358 AromaticContact CH2-ND1 3.76Å; W205-H358 AromaticContact CZ3-CE1 3.29Å; W205-H358 WeakPolarHBondContact CZ3-CE1 3.32Å; W205-H358 AromaticContact CZ3-ND1 3.79Å
206	S	30	Very low	30.9	Very low	67 Å²	67	117.9 Å²	117.9	47%	0.469	62%	0.618	S	S	.	*			trans	-89.5	147.4	-173.1	163.9	0	0	0	0	111.5	S208 D209	S206-S208 PolarHBondContact O-N 2.96Å; S206-S208 PolarHBondContact OG-OG 2.96Å; S206-D209 PolarHBondContact O-N 2.98Å
207	L	33.1	Very low	31.2	Very low	97 Å²	97	114.4 Å²	114.4	51%	0.508	61%	0.61	S	S	.	*	H	α-helix	trans	-49.1	-25.4	178.6	-154.7	120.3	0	0	0	114	D209 L370	L207-D209 VanDerWaalsContact C-N 3.34Å; L207-D209 PolarHBondContact O-N 3.44Å; L207-L370 HydrophobicContact CD2-CD2 4.49Å
208	S	33.8	Very low	31.3	Very low	61 Å²	61	111.4 Å²	111.4	43%	0.427	61%	0.608	S	S	.	*	H	α-helix	trans	-68.8	-25.5	178.5	50.9	0	0	0	0	114.8	S206	S206-S208 PolarHBondContact O-N 2.96Å; S206-S208 PolarHBondContact OG-OG 2.96Å
209	D	36.7	Very low	31.6	Very low	85 Å²	85	112.1 Å²	112.1	46%	0.455	61%	0.607	S	S	.	*	H	α-helix	trans	-81.3	-34.8	-169	-61.1	-28.6	0	0	0	111.6	S206 L207	S206-D209 PolarHBondContact O-N 2.98Å; L207-D209 VanDerWaalsContact C-N 3.34Å; L207-D209 PolarHBondContact O-N 3.44Å
210	V	35.9	Very low	31.7	Very low	29 Å²	29	109.1 Å²	109.1	18%	0.176	60%	0.601	C	S	.	*	H	α-helix	trans	-70.3	-37.4	178.8	177.4	0	0	0	0	112.6	W205 K212 E213 T214 I355	W205-V210 HydrophobicContact CE3-CG2 3.86Å; W205-V210 HydrophobicContact CH2-CG2 3.51Å; W205-V210 HydrophobicContact CZ3-CB 4.42Å; W205-V210 HydrophobicContact CZ3-CG2 3.1Å; V210-K212 VanDerWaalsContact C-N 3.27Å; V210-K212 PolarHBondContact O-N 3.36Å; V210-E213 PolarHBondContact O-N 2.86Å; V210-T214 PolarHBondContact O-OG1 3.24Å; V210-I355 HydrophobicContact CG1-CD1 4.29Å; V210-I355 HydrophobicContact CG1-CG1 4.38Å
211	V	36	Very low	31.9	Very low	83 Å²	83	110.8 Å²	110.8	50%	0.503	60%	0.603	S	S	.	*	H	α-helix	trans	-67.5	-29.6	-178.3	179.1	0	0	0	0	111.7
212	K	39.5	Very low	32	Very low	155 Å²	155	112.4 Å²	112.4	67%	0.674	60%	0.603	S	S	*	*	H	α-helix	trans	-71	-32.4	-179.6	-80.7	-179.4	179.5	171.4	0	112.8	V210 S215	V210-K212 VanDerWaalsContact C-N 3.27Å; V210-K212 PolarHBondContact O-N 3.36Å; K212-S215 PolarHBondContact O-OG 3.23Å
213	E	41.1	Very low	32.1	Very low	126 Å²	126	110.2 Å²	110.2	59%	0.589	60%	0.598	S	S	*	*	H	α-helix	trans	-77.9	-30.3	-174	-131.2	156.1	175.3	0	0	113	V210 S215 R216 E348	V210-E213 PolarHBondContact O-N 2.86Å; E213-S215 PolarHBondContact O-N 3.48Å; E213-S215 VanDerWaalsContact O-N 3.15Å; E213-R216 PolarHBondContact O-N 3.01Å; E213-E348 VanDerWaalsContact CG-OE1 3.29Å; E213-E348 WeakPolarHBondContact CG-OE1 3.12Å
214	T	33.5	Very low	31.8	Very low	49 Å²	49	116.1 Å²	116.1	30%	0.301	62%	0.616	S	S	.	*	H	α-helix	trans	-62.6	-26.5	178.2	-41.9	0	0	0	0	114	V210 R216 I377	V210-T214 PolarHBondContact O-OG1 3.24Å; T214-R216 PolarHBondContact O-N 3.45Å; T214-I377 HydrophobicContact CG2-CD1 3.77Å; T214-I377 HydrophobicContact CG2-CG1 3.38Å; T214-I377 WeakPolarHBondContact OG1-CD1 3.38Å
215	S	33.5	Very low	31.5	Very low	97 Å²	97	119 Å²	119	68%	0.678	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-2.2	-174	64.4	0	0	0	0	115.2	K212 E213	K212-S215 PolarHBondContact O-OG 3.23Å; E213-S215 PolarHBondContact O-N 3.48Å; E213-S215 VanDerWaalsContact O-N 3.15Å
216	R	31.9	Very low	31.1	Very low	233 Å²	233	121.5 Å²	121.5	88%	0.879	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.6	7.5	-175.2	-72.1	-173.3	176.7	178	0.6	116.7	E213 T214	E213-R216 PolarHBondContact O-N 3.01Å; T214-R216 PolarHBondContact O-N 3.45Å
217	S	29.8	Very low	30.9	Very low	72 Å²	72	122 Å²	122	50%	0.503	66%	0.655	S	S	.	*			trans	-122.1	83.6	179.7	-177.3	0	0	0	0	111.5
218	A	29.9	Very low	30.6	Very low	91 Å²	91	120.8 Å²	120.8	75%	0.752	65%	0.651	S	S	*	*			trans	-113.8	140.5	160	0	0	0	0	0	108
219	E	30.4	Very low	30.1	Very low	193 Å²	193	128.9 Å²	128.9	90%	0.902	67%	0.672	S	S	*	*			trans	87.2	94.9	176.6	-57.3	178.7	148.4	0	0	117.4
220	C	27.1	Very low	29.7	Very low	91 Å²	91	128.9 Å²	128.9	62%	0.615	67%	0.671	S	S	*	*				-168.5	106.3	119.1	-155.7	0	0	0	0	111.9
221	T	28.2	Very low	29.4	Very low	123 Å²	123	135.4 Å²	135.4	76%	0.755	71%	0.705	S	S	*	*			trans	-64.2	129.9	161.6	21.2	0	0	0	0	111.6
222	R	26.7	Very low	29.2	Very low	226 Å²	226	135.2 Å²	135.2	85%	0.853	72%	0.72	S	S	*	*			trans	-151.9	108.1	148.9	-124.7	-176.4	-78.8	168.1	-2.7	111
223	N	26.9	Very low	28.6	Very low	143 Å²	143	134.1 Å²	134.1	77%	0.765	72%	0.721	S	S	*	*			trans	-74.8	134.4	179.8	-56.9	-24.3	0	0	0	110.2
224	M	22.9	Very low	27.9	Very low	193 Å²	193	133.9 Å²	133.9	95%	0.951	73%	0.733	S	S	*	*			trans	-145.1	98.4	158.2	-144	165.3	168.5	0	0	107.5
225	E	23.2	Very low	27.5	Very low	184 Å²	184	138.7 Å²	138.7	86%	0.86	76%	0.756	S	S	*	*			trans	-77.9	131.3	178.1	-74.7	167.4	149	0	0	109.7
226	L	23.9	Very low	27.1	Very low	154 Å²	154	138.7 Å²	138.7	81%	0.806	76%	0.761	S	S	*	*			trans	-116.9	103.4	164.3	-140.5	91.1	0	0	0	107.4
227	G	24.9	Very low	26.9	Very low	78 Å²	78	134.2 Å²	134.2	80%	0.804	75%	0.75	S	S	*	*			trans	-81.2	116.4	174.3	0	0	0	0	0	110	R229	G227-R229 PolarHBondContact O-N 2.96Å
228	V	27	Very low	26.8	Very low	70 Å²	70	140.1 Å²	140.1	42%	0.424	77%	0.767	S	S	.	*			trans	-82.1	109.4	174.7	179.6	0	0	0	0	108.2	I230	V228-I230 HydrophobicContact CG1-CG1 4.03Å; V228-I230 PolarHBondContact O-N 3.37Å
229	R	24.2	Very low	26.5	Very low	231 Å²	231	147.8 Å²	147.8	87%	0.872	78%	0.776	S	S	*	*			trans	-80.9	108.2	165.7	-85.7	-173.3	-178.2	-167	1.3	108.3	G227	G227-R229 PolarHBondContact O-N 2.96Å
230	I	27.7	Very low	26.4	Very low	85 Å²	85	143.2 Å²	143.2	44%	0.436	77%	0.765	S	S	.	*			trans	-88.6	117.8	160.5	-57.9	-178.4	0	0	0	105.7	V228 G232 L233	V228-I230 HydrophobicContact CG1-CG1 4.03Å; V228-I230 PolarHBondContact O-N 3.37Å; I230-G232 PolarHBondContact O-N 3.22Å; I230-L233 PolarHBondContact O-N 3.02Å; I230-L233 VanDerWaalsContact O-N 3.12Å
231	D	28.5	Very low	26.4	Very low	166 Å²	166	149.9 Å²	149.9	89%	0.888	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.8	115.8	179.6	-78.3	-37.5	0	0	0	110.6
232	G	32.1	Very low	26.6	Very low	79 Å²	79	150.7 Å²	150.7	81%	0.814	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	111	-9	178.7	0	0	0	0	0	116.8	I230	I230-G232 PolarHBondContact O-N 3.22Å
233	L	28	Very low	26.8	Very low	132 Å²	132	147.3 Å²	147.3	69%	0.691	78%	0.776	S	S	*	*			trans	-124.6	84.7	-178.9	-64.9	172.1	0	0	0	112.3	I230 I235	I230-L233 PolarHBondContact O-N 3.02Å; I230-L233 VanDerWaalsContact O-N 3.12Å; L233-I235 PolarHBondContact O-N 3.43Å
234	S	25	Very low	27.4	Very low	121 Å²	121	147 Å²	147	85%	0.846	77%	0.77	S	S	*	*			trans	-83.9	90.9	164.1	64.1	0	0	0	0	110	A236	S234-A236 PolarHBondContact O-N 2.93Å
235	I	25.4	Very low	28.1	Very low	151 Å²	151	139.6 Å²	139.6	77%	0.774	74%	0.738	S	S	*	*			trans	-87.2	98.1	158.7	-58.9	178.3	0	0	0	105.4	L233 E237	L233-I235 PolarHBondContact O-N 3.43Å; I235-E237 PolarHBondContact O-N 3.26Å
236	A	25.6	Very low	29.1	Very low	96 Å²	96	135.5 Å²	135.5	79%	0.793	72%	0.721	S	S	*	*			trans	-65.2	98.8	172.6	0	0	0	0	0	108.1	S234 K238	S234-A236 PolarHBondContact O-N 2.93Å; A236-K238 PolarHBondContact O-N 2.92Å
237	E	28.4	Very low	29.4	Very low	139 Å²	139	135.5 Å²	135.5	65%	0.65	72%	0.717	S	S	*	*			trans	-73.6	116	-176.6	-148.1	172	-170.4	0	0	109.6	I235 R239 Q244	I235-E237 PolarHBondContact O-N 3.26Å; E237-R239 PolarHBondContact O-N 3.37Å; E237-Q244 PolarHBondContact OE1-NE2 3.37Å
238	K	25.9	Very low	29.8	Very low	196 Å²	196	133.8 Å²	133.8	85%	0.852	69%	0.691	S	S	*	*			trans	-76.2	122.7	177.3	-155.7	176.7	-174	-179.3	0	107.8	A236 S240	A236-K238 PolarHBondContact O-N 2.92Å; K238-S240 PolarHBondContact O-N 2.92Å
239	R	25	Very low	30.1	Very low	253 Å²	253	137.6 Å²	137.6	96%	0.955	71%	0.709	S	S	*	*			trans	-46	107.1	177.3	-78.2	177.9	174.2	168.3	-1.5	112.1	E237	E237-R239 PolarHBondContact O-N 3.37Å
240	S	27.8	Very low	30.5	Very low	96 Å²	96	131.9 Å²	131.9	67%	0.671	70%	0.699	S	S	*	*			trans	-133.6	124	148.4	59.6	0	0	0	0	108.2	K238 D242	K238-S240 PolarHBondContact O-N 2.92Å; S240-D242 PolarHBondContact O-N 3.48Å
241	R	28	Very low	30.7	Very low	231 Å²	231	131.4 Å²	131.4	87%	0.872	71%	0.708	S	S	*	*			trans	-50.5	127.2	162.1	-72.1	173.9	-140	172.9	4.7	106.8
242	D	30.4	Very low	30.9	Very low	141 Å²	141	131.5 Å²	131.5	75%	0.754	71%	0.708	S	S	*	*	S	Bend	trans	165.6	135.9	137.9	-75.5	-21.5	0	0	0	106.9	S240 Q244	S240-D242 PolarHBondContact O-N 3.48Å; D242-Q244 PolarHBondContact O-N 3.18Å
243	N	32.9	Very low	30.9	Very low	154 Å²	154	131.8 Å²	131.8	82%	0.824	70%	0.703	S	S	*	*			trans	-48.4	104.5	176.9	-74.1	-28.6	0	0	0	109.3	S245	N243-S245 PolarHBondContact O-N 3.36Å
244	Q	37.7	Very low	30.9	Very low	137 Å²	137	130.4 Å²	130.4	64%	0.64	70%	0.704	S	S	*	*			trans	-66.6	98.5	-171	-75.4	175.6	5.7	0	0	110.1	E237 D242	E237-Q244 PolarHBondContact OE1-NE2 3.37Å; D242-Q244 PolarHBondContact O-N 3.18Å
245	S	38.8	Very low	31.2	Very low	38 Å²	38	133.4 Å²	133.4	27%	0.266	70%	0.702	S	S	.	*			trans	-64.9	145.6	153.1	57.4	0	0	0	0	108.5	N243 Q247	N243-S245 PolarHBondContact O-N 3.36Å; S245-Q247 PolarHBondContact O-N 3.35Å; S245-Q247 WeakPolarHBondContact OG-CG 3.47Å; S245-Q247 PolarHBondContact OG-NE2 2.99Å; S245-Q247 VanDerWaalsContact OG-NE2 3.12Å
246	L	43.3	Very low	31.5	Very low	97 Å²	97	135.2 Å²	135.2	51%	0.508	71%	0.707	S	S	.	*			trans	-74.7	67.6	172.3	-71.5	166.6	0	0	0	109	L411	L246-L411 HydrophobicContact CB-CD1 4.23Å; L246-L411 HydrophobicContact CB-CD2 4.01Å
247	Q	31.8	Very low	31.6	Very low	154 Å²	154	137.3 Å²	137.3	72%	0.72	71%	0.71	S	S	*	*			trans	-92.5	126.7	175.2	-75.3	-176.1	33.2	0	0	110.3	S245	S245-Q247 PolarHBondContact O-N 3.35Å; S245-Q247 WeakPolarHBondContact OG-CG 3.47Å; S245-Q247 PolarHBondContact OG-NE2 2.99Å; S245-Q247 VanDerWaalsContact OG-NE2 3.12Å
248	V	33.1	Very low	31.5	Very low	42 Å²	42	136.5 Å²	136.5	26%	0.255	72%	0.72	S	S	.	*			trans	-86.6	124.9	169.3	179.5	0	0	0	0	107.3	V250 L411	V248-V250 PolarHBondContact O-N 3.48Å; V248-V250 VanDerWaalsContact O-N 3.08Å; V248-L411 HydrophobicContact CG2-CD2 3.93Å
249	N	31.8	Very low	31.7	Very low	151 Å²	151	132 Å²	132	81%	0.807	71%	0.713	S	S	*	*			trans	-66.2	106.4	172.6	-75.6	-34.2	0	0	0	109.5	A251	N249-A251 PolarHBondContact O-N 2.9Å
250	V	33.7	Very low	31.7	Very low	111 Å²	111	129.2 Å²	129.2	67%	0.673	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-75.1	15.5	179.6	-172.1	0	0	0	0	112.5	V248 D252	V248-V250 PolarHBondContact O-N 3.48Å; V248-V250 VanDerWaalsContact O-N 3.08Å; V250-D252 VanDerWaalsContact C-N 3.35Å; V250-D252 PolarHBondContact O-N 3.07Å
251	A	31.2	Very low	31.8	Very low	74 Å²	74	132.1 Å²	132.1	61%	0.612	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-73.6	-16.6	-170	0	0	0	0	0	115.3	N249	N249-A251 PolarHBondContact O-N 2.9Å
252	D	32.6	Very low	32	Very low	168 Å²	168	126.8 Å²	126.8	90%	0.898	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-96.6	6.6	-173.8	-80.2	-24.2	0	0	0	115.7	V250	V250-D252 VanDerWaalsContact C-N 3.35Å; V250-D252 PolarHBondContact O-N 3.07Å
253	A	31.8	Very low	31.9	Very low	86 Å²	86	126.1 Å²	126.1	71%	0.711	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-89.4	0.4	178.2	0	0	0	0	0	115.1
254	S	29.6	Very low	31.6	Very low	102 Å²	102	121.9 Å²	121.9	71%	0.713	71%	0.713	S	S	*	*			trans	-105	44.4	-172.8	67.9	0	0	0	0	114.9
255	K	29.4	Very low	31.4	Very low	185 Å²	185	122.8 Å²	122.8	80%	0.804	72%	0.722	S	S	*	*			trans	-141.3	58.3	168.3	-72.6	-169	-178.8	174.7	0	113.3
256	H	31.8	Very low	31	Very low	189 Å²	189	132.6 Å²	132.6	88%	0.875	76%	0.755	S	S	*	*			trans	-130.6	87.6	156.8	-70.4	-62.4	0	0	0	108.7	S258	H256-S258 PolarHBondContact O-N 3.21Å
257	T	28	Very low	30.5	Very low	140 Å²	140	133 Å²	133	86%	0.859	77%	0.766	S	S	*	*			trans	-52.5	129.6	166.4	26.3	0	0	0	0	110.6	S259	T257-S259 PolarHBondContact O-N 3.09Å
258	S	27.2	Very low	30.6	Very low	121 Å²	121	135.3 Å²	135.3	85%	0.846	77%	0.768	S	S	*	*			trans	-41.3	117.2	176.6	-39.9	0	0	0	0	113.6	H256	H256-S258 PolarHBondContact O-N 3.21Å
259	S	29.3	Very low	30.6	Very low	103 Å²	103	142.2 Å²	142.2	72%	0.72	80%	0.797	S	S	*	*			trans	-115.3	106.8	152.9	71.4	0	0	0	0	107.6	T257 L261	T257-S259 PolarHBondContact O-N 3.09Å; S259-L261 PolarHBondContact O-N 3.47Å
260	E	25.7	Very low	30.8	Very low	194 Å²	194	140 Å²	140	91%	0.907	78%	0.782	S	S	*	*			trans	-56.9	118.8	171.3	-65.4	169.9	161.9	0	0	109.2
261	L	28.9	Very low	30.8	Very low	156 Å²	156	139.6 Å²	139.6	82%	0.817	78%	0.776	S	S	*	*			trans	-128.9	139.5	159.5	-102.4	106.1	0	0	0	109.9	S259	S259-L261 PolarHBondContact O-N 3.47Å
262	P	32.3	Very low	31	Very low	120 Å²	120	139.7 Å²	139.7	78%	0.779	77%	0.772	S	S	*	*			trans	-81.4	143.1	-159.4	-9.9	28.5	0	0	0	112.9	G264	P262-G264 PolarHBondContact O-N 3.47Å
263	S	29.1	Very low	31.4	Very low	127 Å²	127	138.2 Å²	138.2	89%	0.888	76%	0.755	S	S	*	*			trans	-47.5	118.6	173.5	55.7	0	0	0	0	113.5
264	G	27.4	Very low	31.6	Very low	65 Å²	65	138.5 Å²	138.5	67%	0.67	74%	0.744	S	S	*	*			trans	-171.8	114	170.9	0	0	0	0	0	112.3	P262	P262-G264 PolarHBondContact O-N 3.47Å
265	N	32.2	Very low	31.9	Very low	156 Å²	156	139.3 Å²	139.3	83%	0.834	74%	0.739	S	S	*	*			trans	84.6	104.6	166.2	-59.5	-14.2	0	0	0	118.3	S267	N265-S267 PolarHBondContact O-N 3.43Å; N265-S267 VanDerWaalsContact O-N 3.12Å
266	Y	31.4	Very low	32.7	Very low	243 Å²	243	136.7 Å²	136.7	95%	0.953	73%	0.73	S	S	*	*			trans	-56.5	103.2	160.7	-69.6	-93.5	0	0	0	110.3
267	S	31.3	Very low	33.3	Very low	106 Å²	106	130 Å²	130	74%	0.741	71%	0.708	S	S	*	*			trans	-130.8	103.6	161.6	65.7	0	0	0	0	110	N265	N265-S267 PolarHBondContact O-N 3.43Å; N265-S267 VanDerWaalsContact O-N 3.12Å
268	R	34.4	Very low	34.1	Very low	203 Å²	203	134.1 Å²	134.1	77%	0.766	71%	0.707	S	S	*	*			trans	46.3	86.1	147.9	-150.9	175.8	-174.2	-179.6	2.2	116.4	E270	R268-E270 HydrophobicContact CG-CB 4.35Å; R268-E270 HydrophobicContact CG-CG 4.35Å; R268-E270 IonicContact CZ-OE2 3.14Å; R268-E270 VanDerWaalsContact CZ-OE2 3.29Å; R268-E270 IonicContact NE-OE2 3.53Å; R268-E270 PolarHBondContact NE-OE2 2.82Å; R268-E270 IonicContact NH2-OE2 3.12Å; R268-E270 PolarHBondContact NH2-OE2 3.03Å; R268-E270 PolarHBondContact O-N 2.81Å
269	Q	32.8	Very low	34.8	Very low	186 Å²	186	133.6 Å²	133.6	87%	0.869	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	59	167.7	-167.6	174.9	0	0	0	111.3
270	E	35.9	Very low	35.9	Very low	106 Å²	106	131.7 Å²	131.7	50%	0.495	69%	0.69	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111	-15.6	171.3	-74.9	-171.6	133.6	0	0	113.2	R268 Y273	R268-E270 HydrophobicContact CG-CB 4.35Å; R268-E270 HydrophobicContact CG-CG 4.35Å; R268-E270 IonicContact CZ-OE2 3.14Å; R268-E270 VanDerWaalsContact CZ-OE2 3.29Å; R268-E270 IonicContact NE-OE2 3.53Å; R268-E270 PolarHBondContact NE-OE2 2.82Å; R268-E270 IonicContact NH2-OE2 3.12Å; R268-E270 PolarHBondContact NH2-OE2 3.03Å; R268-E270 PolarHBondContact O-N 2.81Å; E270-Y273 WeakPolarHBondContact O-CD1 3.46Å; E270-Y273 WeakPolarHBondContact O-CE1 3.43Å
271	D	35.3	Very low	36.9	Very low	101 Å²	101	132.9 Å²	132.9	54%	0.54	69%	0.693	S	S	.	*	S	Bend	trans	-94.5	-2.6	-176.4	-71.1	-29.5	0	0	0	115.3	Y273 L274 I275	D271-Y273 PolarHBondContact O-N 2.75Å; D271-Y273 VanDerWaalsContact O-N 3.14Å; D271-L274 PolarHBondContact O-N 3.03Å; D271-L274 VanDerWaalsContact O-N 3.17Å; D271-I275 HydrophobicContact CB-CD1 4.18Å; D271-I275 WeakPolarHBondContact O-CG1 3.49Å; D271-I275 PolarHBondContact O-N 2.92Å
272	S	34.2	Very low	37.9	Very low	76 Å²	76	131.3 Å²	131.3	53%	0.531	68%	0.681	S	S	.	*	H	α-helix	trans	-59.8	-29.2	-177.5	-167.6	0	0	0	0	113.1
273	Y	41.4	Very low	38.6	Very low	138 Å²	138	130.5 Å²	130.5	54%	0.541	67%	0.674	S	S	.	*	H	α-helix	trans	-72.8	-26.6	-178.4	75.6	-89.1	0	0	0	113.5	E270 D271	E270-Y273 WeakPolarHBondContact O-CD1 3.46Å; E270-Y273 WeakPolarHBondContact O-CE1 3.43Å; D271-Y273 PolarHBondContact O-N 2.75Å; D271-Y273 VanDerWaalsContact O-N 3.14Å
274	L	36.4	Very low	39.3	Very low	92 Å²	92	127.6 Å²	127.6	48%	0.482	66%	0.658	S	S	.	*	H	α-helix	trans	-88.8	-31.3	179.5	-68.7	178.1	0	0	0	112.6	D271	D271-L274 PolarHBondContact O-N 3.03Å; D271-L274 VanDerWaalsContact O-N 3.17Å
275	I	36.2	Very low	40.3	Very low	118 Å²	118	133.1 Å²	133.1	61%	0.605	66%	0.664	S	S	*	*	H	α-helix	trans	-74.9	-42.6	-173.2	-63.1	169.1	0	0	0	111	D271 A277 R278	D271-I275 HydrophobicContact CB-CD1 4.18Å; D271-I275 WeakPolarHBondContact O-CG1 3.49Å; D271-I275 PolarHBondContact O-N 2.92Å; I275-A277 VanDerWaalsContact C-N 3.25Å; I275-A277 PolarHBondContact O-N 3.11Å; I275-R278 PolarHBondContact O-N 2.83Å; I275-R278 VanDerWaalsContact O-N 3.13Å
276	E	44.4	Very low	41.2	Very low	130 Å²	130	128.8 Å²	128.8	61%	0.607	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-65.5	-29.7	-177	-160.2	173.5	-150.9	0	0	112.5	R278 R413	E276-R278 PolarHBondContact O-N 2.8Å; E276-R413 IonicContact OE2-NH1 2.73Å
277	A	46.1	Very low	42.3	Very low	50 Å²	50	120 Å²	120	41%	0.413	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-68.2	-17.5	177.3	0	0	0	0	0	114.1	I275	I275-A277 VanDerWaalsContact C-N 3.25Å; I275-A277 PolarHBondContact O-N 3.11Å
278	R	43.6	Very low	43.5	Very low	225 Å²	225	121.8 Å²	121.8	85%	0.849	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-90	-11.2	-176.4	-74.4	-175.5	175	173.6	0.4	114.9	I275 E276	I275-R278 PolarHBondContact O-N 2.83Å; I275-R278 VanDerWaalsContact O-N 3.13Å; E276-R278 PolarHBondContact O-N 2.8Å
279	S	43.3	Very low	44.8	Very low	111 Å²	111	113.4 Å²	113.4	78%	0.776	59%	0.591	S	S	*	*	S	Bend	trans	-84.3	-19.8	-169	176.5	0	0	0	0	115.4
280	S	52	Low	46.5	Very low	62 Å²	62	107.7 Å²	107.7	43%	0.434	57%	0.57	S	S	.	*	S	Bend	trans	-101.1	141.1	178.4	47.9	0	0	0	0	111.3	Q282	S280-Q282 WeakPolarHBondContact O-CG 3.35Å; S280-Q282 PolarHBondContact O-N 3.19Å; S280-Q282 WeakPolarHBondContact OG-CG 3.03Å; S280-Q282 PolarHBondContact OG-NE2 2.88Å
281	K	47.2	Very low	48.6	Very low	220 Å²	220	105.6 Å²	105.6	96%	0.957	56%	0.561	S	S	*	*			trans	-61.1	78.6	166.1	-69.7	-179.1	-179.6	178.6	0	108.4
282	Q	48.3	Very low	51	Low	122 Å²	122	102 Å²	102	57%	0.57	54%	0.54	S	S	*	.			trans	-72.4	131.1	-176.2	-67.4	-107.4	-31.3	0	0	108.4	S280 A284	S280-Q282 WeakPolarHBondContact O-CG 3.35Å; S280-Q282 PolarHBondContact O-N 3.19Å; S280-Q282 WeakPolarHBondContact OG-CG 3.03Å; S280-Q282 PolarHBondContact OG-NE2 2.88Å; Q282-A284 PolarHBondContact O-N 3.06Å
283	V	46.9	Very low	53.5	Low	104 Å²	104	100.7 Å²	100.7	63%	0.63	53%	0.527	S	S	*	.			trans	-57	121.7	170.2	-178.5	0	0	0	0	107.8	F285	V283-F285 VanDerWaalsContact C-N 3.34Å; V283-F285 HydrophobicContact CB-CD2 4.47Å; V283-F285 HydrophobicContact CB-CE2 4.02Å; V283-F285 HydrophobicContact CB-CZ 4.13Å; V283-F285 HydrophobicContact CG1-CE1 4.33Å; V283-F285 HydrophobicContact CG1-CE2 4.43Å; V283-F285 HydrophobicContact CG1-CZ 4.27Å; V283-F285 VanDerWaalsContact O-CD2 3.23Å; V283-F285 WeakPolarHBondContact O-CD2 3.33Å; V283-F285 PolarHBondContact O-N 3.01Å
284	A	44.9	Very low	55.8	Low	66 Å²	66	101.2 Å²	101.2	55%	0.545	53%	0.534	S	S	.	.			trans	-71.5	93.7	173.5	0	0	0	0	0	108.2	Q282 S286	Q282-A284 PolarHBondContact O-N 3.06Å; A284-S286 VanDerWaalsContact C-N 3.32Å; A284-S286 PolarHBondContact O-N 3.17Å
285	F	48.9	Very low	58.3	Low	181 Å²	181	99.8 Å²	99.8	79%	0.794	53%	0.526	S	S	*	.			trans	-70	90.8	172.1	-65.9	-80.9	0	0	0	108.9	V283	V283-F285 VanDerWaalsContact C-N 3.34Å; V283-F285 HydrophobicContact CB-CD2 4.47Å; V283-F285 HydrophobicContact CB-CE2 4.02Å; V283-F285 HydrophobicContact CB-CZ 4.13Å; V283-F285 HydrophobicContact CG1-CE1 4.33Å; V283-F285 HydrophobicContact CG1-CE2 4.43Å; V283-F285 HydrophobicContact CG1-CZ 4.27Å; V283-F285 VanDerWaalsContact O-CD2 3.23Å; V283-F285 WeakPolarHBondContact O-CD2 3.33Å; V283-F285 PolarHBondContact O-N 3.01Å
286	S	49.6	Very low	60.9	Low	65 Å²	65	94.5 Å²	94.5	46%	0.455	50%	0.499	S	S	.	.			trans	-89.1	111	164.8	60.5	0	0	0	0	109	A284 N288 R506	A284-S286 VanDerWaalsContact C-N 3.32Å; A284-S286 PolarHBondContact O-N 3.17Å; S286-N288 PolarHBondContact O-N 2.89Å; S286-R506 VanDerWaalsContact CB-NH1 3.29Å
287	F	54.9	Low	63.2	Low	58 Å²	58	89 Å²	89	25%	0.254	47%	0.474	S	S	.	.			trans	-66.5	124.4	164	-177.4	-99.1	0	0	0	108.8	G289 V422	F287-G289 VanDerWaalsContact CE1-C 3.42Å; F287-G289 VanDerWaalsContact CE1-N 3.34Å; F287-G289 WeakPolarHBondContact CE1-O 3.39Å; F287-V422 HydrophobicContact CD1-CG2 4.07Å; F287-V422 HydrophobicContact CD2-CG2 4.35Å; F287-V422 HydrophobicContact CE1-CB 4.06Å; F287-V422 HydrophobicContact CE1-CG2 3.89Å; F287-V422 HydrophobicContact CE2-CB 4.09Å; F287-V422 HydrophobicContact CE2-CG2 4.19Å; F287-V422 HydrophobicContact CG-CG2 4.27Å; F287-V422 HydrophobicContact CZ-CB 3.72Å; F287-V422 HydrophobicContact CZ-CG2 3.95Å
288	N	56.6	Low	65.3	Low	143 Å²	143	95.4 Å²	95.4	77%	0.765	49%	0.487	S	S	*	.			trans	-112.9	11	176.2	-76.5	-5.6	0	0	0	111.9	S286	S286-N288 PolarHBondContact O-N 2.89Å
289	G	62.8	Low	67.5	Low	28 Å²	28	85.1 Å²	85.1	29%	0.289	45%	0.449	S	S	.	.	S	Bend	trans	-71.7	168.2	176.4	0	0	0	0	0	112.1	F287 I291	F287-G289 VanDerWaalsContact CE1-C 3.42Å; F287-G289 VanDerWaalsContact CE1-N 3.34Å; F287-G289 WeakPolarHBondContact CE1-O 3.39Å; G289-I291 PolarHBondContact O-N 3.27Å
290	P	68.1	Low	69.8	Low	66 Å²	66	79.9 Å²	79.9	43%	0.429	41%	0.412	S	S	.	.			trans	-62.3	138.5	-175.5	25.3	-32.4	0	0	0	110.8	R292 D293	P290-R292 VanDerWaalsContact C-N 3.32Å; P290-D293 HydrophobicContact CB-CB 4.22Å; P290-D293 HydrophobicContact CG-CB 4.36Å; P290-D293 VanDerWaalsContact CG-OD2 3.27Å; P290-D293 WeakPolarHBondContact CG-OD2 3.33Å
291	I	80	Confident	71.6	Confident	62 Å²	62	77.6 Å²	77.6	32%	0.318	40%	0.395	S	S	.	.	S	Bend	trans	-68.3	-40	174	-66	172.9	0	0	0	109.6	G289 Q514 R515	G289-I291 PolarHBondContact O-N 3.27Å; I291-Q514 HydrophobicContact CD1-CB 4.27Å; I291-Q514 HydrophobicContact CD1-CG 3.89Å; I291-Q514 HydrophobicContact CG2-CB 4.01Å; I291-Q514 HydrophobicContact CG2-CG 3.99Å; I291-R515 HydrophobicContact CG2-CB 3.94Å; I291-R515 VanDerWaalsContact O-CZ 3.29Å; I291-R515 PolarHBondContact O-NE 3.46Å; I291-R515 PolarHBondContact O-NH2 2.56Å
292	R	85.2	Confident	72.9	Confident	24 Å²	24	68.6 Å²	68.6	9%	0.091	36%	0.356	C	S	.	.	S	Bend	trans	-151.5	140.9	175	179.2	-178.6	162.1	-132.8	-21.7	109	P290 F296 D297 D518 Y519 M522	P290-R292 VanDerWaalsContact C-N 3.32Å; R292-F296 HydrophobicContact CG-CB 4.3Å; R292-D297 IonicContact CZ-OD1 2.95Å; R292-D297 IonicContact CZ-OD2 2.68Å; R292-D297 IonicContact NE-OD1 3.33Å; R292-D297 PolarHBondContact NE-OD1 3.45Å; R292-D297 IonicContact NE-OD2 3.41Å; R292-D297 IonicContact NH2-OD1 2.75Å; R292-D297 PolarHBondContact NH2-OD1 3.26Å; R292-D297 IonicContact NH2-OD2 3.47Å; R292-D297 PolarHBondContact NH2-OD2 3.05Å; R292-D518 PolarHBondContact NH1-O 3.13Å; R292-Y519 HydrophobicContact CG-CE2 4.32Å; R292-M522 PolarHBondContact NH2-SD 3.41Å
293	D	87.7	Confident	73.8	Confident	49 Å²	49	65.9 Å²	65.9	26%	0.262	35%	0.35	S	S	.	.			trans	-147.6	-174.8	173.5	66.3	19.8	0	0	0	110	P290 M295 F296 D297	P290-D293 HydrophobicContact CB-CB 4.22Å; P290-D293 HydrophobicContact CG-CB 4.36Å; P290-D293 VanDerWaalsContact CG-OD2 3.27Å; P290-D293 WeakPolarHBondContact CG-OD2 3.33Å; D293-M295 PolarHBondContact O-N 3.46Å; D293-M295 WeakPolarHBondContact OD1-CA 3.42Å; D293-M295 VanDerWaalsContact OD1-CB 3.25Å; D293-M295 WeakPolarHBondContact OD1-CB 3.38Å; D293-M295 PolarHBondContact OD1-N 2.95Å; D293-F296 WeakPolarHBondContact O-CB 3.45Å; D293-F296 PolarHBondContact O-N 2.89Å; D293-F296 WeakPolarHBondContact OD1-CD2 3.25Å; D293-F296 PolarHBondContact OD1-N 2.84Å; D293-D297 PolarHBondContact O-N 3.08Å; D293-D297 VanDerWaalsContact O-N 3.15Å
294	E	88.9	Confident	74.9	Confident	149 Å²	149	61.7 Å²	61.7	70%	0.696	32%	0.324	S	S	*	.	H	α-helix	trans	-60.8	-28.8	179.1	-65.4	-175.7	-179.7	0	0	113.9	D297 R298	E294-D297 PolarHBondContact O-N 3.35Å; E294-R298 WeakPolarHBondContact O-CB 3.32Å; E294-R298 PolarHBondContact O-N 2.48Å
295	M	89	Confident	76.1	Confident	63 Å²	63	61.8 Å²	61.8	31%	0.31	31%	0.313	S	S	.	.	H	α-helix	trans	-69.7	-43	177	-176.5	-177.3	169.5	0	0	110.1	D293 D297 R298 V299 L426 K427	D293-M295 PolarHBondContact O-N 3.46Å; D293-M295 WeakPolarHBondContact OD1-CA 3.42Å; D293-M295 VanDerWaalsContact OD1-CB 3.25Å; D293-M295 WeakPolarHBondContact OD1-CB 3.38Å; D293-M295 PolarHBondContact OD1-N 2.95Å; M295-D297 VanDerWaalsContact C-N 3.32Å; M295-D297 PolarHBondContact O-N 3.33Å; M295-R298 PolarHBondContact O-N 3.35Å; M295-V299 HydrophobicContact CG-CG2 4.5Å; M295-V299 VanDerWaalsContact O-CG2 3.29Å; M295-V299 WeakPolarHBondContact O-CG2 3.31Å; M295-V299 PolarHBondContact O-N 3.48Å; M295-L426 HydrophobicContact CB-CD2 4.46Å; M295-L426 HydrophobicContact CE-CD2 3.98Å; M295-L426 HydrophobicContact CE-CG 4.18Å; M295-L426 HydrophobicContact CG-CD2 3.89Å; M295-L426 HydrophobicContact SD-CD2 4.07Å; M295-K427 HydrophobicContact CE-CG 3.7Å
296	F	91.6	Very high	77.5	Confident	7 Å²	7	59.9 Å²	59.9	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-57	-47.6	172.2	-79	-86.8	0	0	0	111.2	R292 D293 R298 V299 L300 V422 L426 F471 Y519	R292-F296 HydrophobicContact CG-CB 4.3Å; D293-F296 WeakPolarHBondContact O-CB 3.45Å; D293-F296 PolarHBondContact O-N 2.89Å; D293-F296 WeakPolarHBondContact OD1-CD2 3.25Å; D293-F296 PolarHBondContact OD1-N 2.84Å; F296-R298 VanDerWaalsContact C-N 3.35Å; F296-R298 PolarHBondContact O-N 3.28Å; F296-V299 PolarHBondContact O-N 3.15Å; F296-L300 HydrophobicContact CB-CD1 4.46Å; F296-L300 HydrophobicContact CD1-CD1 3.89Å; F296-L300 VanDerWaalsContact O-CB 3.27Å; F296-L300 WeakPolarHBondContact O-CB 3.39Å; F296-L300 VanDerWaalsContact O-CG 3.3Å; F296-L300 WeakPolarHBondContact O-CG 3.22Å; F296-L300 PolarHBondContact O-N 2.93Å; F296-V422 HydrophobicContact CE1-CG1 4.33Å; F296-V422 HydrophobicContact CZ-CG1 3.9Å; F296-L426 HydrophobicContact CD1-CD1 3.83Å; F296-L426 HydrophobicContact CD1-CD2 3.77Å; F296-L426 HydrophobicContact CD1-CG 4.42Å; F296-L426 HydrophobicContact CD2-CD2 3.91Å; F296-L426 HydrophobicContact CE1-CD1 3.98Å; F296-L426 HydrophobicContact CE1-CD2 3.86Å; F296-L426 HydrophobicContact CE1-CG 4.37Å; F296-L426 HydrophobicContact CE2-CD2 3.99Å; F296-L426 HydrophobicContact CG-CD2 3.8Å; F296-L426 HydrophobicContact CZ-CD2 3.97Å; F296-F471 HydrophobicContact CD1-CE1 4.27Å; F296-F471 AromaticContact CE1-CE1 3.84Å; F296-F471 HydrophobicContact CE1-CE1 3.84Å; F296-F471 HydrophobicContact CE1-CZ 4.04Å; F296-Y519 VanDerWaalsContact C-OH 3.26Å; F296-Y519 WeakPolarHBondContact CB-OH 3.49Å; F296-Y519 PolarHBondContact O-OH 3.36Å
297	D	92.7	Very high	78.9	Confident	15 Å²	15	59.6 Å²	59.6	8%	0.08	30%	0.301	C	S	.	.	H	α-helix	trans	-61.3	-44	-179.3	-68.6	-5.5	0	0	0	111.9	R292 D293 E294 M295 V299 L301 Y519	R292-D297 IonicContact CZ-OD1 2.95Å; R292-D297 IonicContact CZ-OD2 2.68Å; R292-D297 IonicContact NE-OD1 3.33Å; R292-D297 PolarHBondContact NE-OD1 3.45Å; R292-D297 IonicContact NE-OD2 3.41Å; R292-D297 IonicContact NH2-OD1 2.75Å; R292-D297 PolarHBondContact NH2-OD1 3.26Å; R292-D297 IonicContact NH2-OD2 3.47Å; R292-D297 PolarHBondContact NH2-OD2 3.05Å; D293-D297 PolarHBondContact O-N 3.08Å; D293-D297 VanDerWaalsContact O-N 3.15Å; E294-D297 PolarHBondContact O-N 3.35Å; M295-D297 VanDerWaalsContact C-N 3.32Å; M295-D297 PolarHBondContact O-N 3.33Å; D297-V299 VanDerWaalsContact C-N 3.3Å; D297-V299 PolarHBondContact O-N 2.98Å; D297-L301 HydrophobicContact CB-CD1 4.22Å; D297-L301 VanDerWaalsContact O-CB 3.26Å; D297-L301 WeakPolarHBondContact O-CB 3.41Å; D297-L301 PolarHBondContact O-N 3.42Å; D297-Y519 PolarHBondContact N-OH 2.98Å; D297-Y519 WeakPolarHBondContact OD1-CE1 3.33Å; D297-Y519 VanDerWaalsContact OD1-CZ 3.23Å; D297-Y519 PolarHBondContact OD1-OH 3.4Å
298	R	89.5	Confident	80.3	Confident	184 Å²	184	58 Å²	58	69%	0.694	30%	0.296	S	S	*	.	H	α-helix	trans	-59.9	-39.2	176.7	-172.2	-174	-57.1	-166.4	2.1	112.8	E294 M295 F296	E294-R298 WeakPolarHBondContact O-CB 3.32Å; E294-R298 PolarHBondContact O-N 2.48Å; M295-R298 PolarHBondContact O-N 3.35Å; F296-R298 VanDerWaalsContact C-N 3.35Å; F296-R298 PolarHBondContact O-N 3.28Å
299	V	89.7	Confident	81.7	Confident	8 Å²	8	60 Å²	60	5%	0.048	29%	0.294	C	S	.	.	H	α-helix	trans	-86.3	-31.2	-175.2	176.9	0	0	0	0	112.6	M295 F296 D297 F302 L426 F429 Q430	M295-V299 HydrophobicContact CG-CG2 4.5Å; M295-V299 VanDerWaalsContact O-CG2 3.29Å; M295-V299 WeakPolarHBondContact O-CG2 3.31Å; M295-V299 PolarHBondContact O-N 3.48Å; F296-V299 PolarHBondContact O-N 3.15Å; D297-V299 VanDerWaalsContact C-N 3.3Å; D297-V299 PolarHBondContact O-N 2.98Å; V299-F302 WeakPolarHBondContact O-CD1 3.33Å; V299-F302 WeakPolarHBondContact O-CE1 3.48Å; V299-L426 HydrophobicContact CB-CD1 4.12Å; V299-L426 HydrophobicContact CG1-CD1 3.89Å; V299-F429 HydrophobicContact CG1-CD1 3.87Å; V299-F429 HydrophobicContact CG1-CE1 4.43Å; V299-Q430 HydrophobicContact CG1-CB 3.89Å; V299-Q430 HydrophobicContact CG1-CG 4.3Å; V299-Q430 HydrophobicContact CG2-CB 3.93Å; V299-Q430 HydrophobicContact CG2-CG 3.72Å
300	L	91.9	Very high	82.9	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-102.5	-21.9	-171.7	-57.5	-174.6	0	0	0	113.9	F296 L426 F429 F471 P474 Y519	F296-L300 HydrophobicContact CB-CD1 4.46Å; F296-L300 HydrophobicContact CD1-CD1 3.89Å; F296-L300 VanDerWaalsContact O-CB 3.27Å; F296-L300 WeakPolarHBondContact O-CB 3.39Å; F296-L300 VanDerWaalsContact O-CG 3.3Å; F296-L300 WeakPolarHBondContact O-CG 3.22Å; F296-L300 PolarHBondContact O-N 2.93Å; L300-L426 HydrophobicContact CD2-CD1 4.36Å; L300-F429 HydrophobicContact CD2-CD1 4.02Å; L300-F429 HydrophobicContact CD2-CE1 3.63Å; L300-F471 HydrophobicContact CD1-CD1 3.69Å; L300-F471 HydrophobicContact CD1-CE1 4.11Å; L300-F471 HydrophobicContact CD1-CG 4.33Å; L300-F471 HydrophobicContact CD2-CB 3.69Å; L300-F471 HydrophobicContact CD2-CD1 3.93Å; L300-F471 HydrophobicContact CD2-CD2 4.25Å; L300-F471 HydrophobicContact CD2-CG 3.71Å; L300-F471 HydrophobicContact CG-CD1 4.49Å; L300-P474 HydrophobicContact CB-CB 4.1Å; L300-P474 HydrophobicContact CB-CG 4.25Å; L300-P474 HydrophobicContact CD1-CG 4.1Å; L300-Y519 HydrophobicContact CD1-CE2 4.09Å
301	L	89.9	Confident	83.9	Confident	14 Å²	14	58.4 Å²	58.4	7%	0.073	28%	0.276	C	S	.	.	S	Bend	trans	-103.7	35.4	178.2	-54.3	-179.8	0	0	0	112.7	Y51 D297 P474 Y519 M522 F523	Y51-L301 HydrophobicContact CD2-CD1 4.02Å; Y51-L301 HydrophobicContact CE1-CD1 4.31Å; Y51-L301 HydrophobicContact CE2-CB 4.25Å; Y51-L301 HydrophobicContact CE2-CD1 3.69Å; Y51-L301 HydrophobicContact CG-CD1 4.46Å; D297-L301 HydrophobicContact CB-CD1 4.22Å; D297-L301 VanDerWaalsContact O-CB 3.26Å; D297-L301 WeakPolarHBondContact O-CB 3.41Å; D297-L301 PolarHBondContact O-N 3.42Å; L301-P474 HydrophobicContact CD2-CB 3.85Å; L301-Y519 HydrophobicContact CD1-CD1 4.34Å; L301-Y519 HydrophobicContact CD1-CE1 3.82Å; L301-Y519 HydrophobicContact CD2-CD1 4.05Å; L301-Y519 HydrophobicContact CD2-CE1 3.87Å; L301-Y519 HydrophobicContact CG-CD1 4.47Å; L301-Y519 HydrophobicContact CG-CE1 3.87Å; L301-M522 HydrophobicContact CD1-CE 3.61Å; L301-M522 HydrophobicContact CD1-SD 4.19Å; L301-F523 HydrophobicContact CD1-CZ 3.68Å; L301-F523 HydrophobicContact CD2-CE2 3.8Å; L301-F523 HydrophobicContact CD2-CZ 3.59Å; L301-F523 HydrophobicContact CG-CZ 4.26Å
302	F	73.3	Confident	84.2	Confident	31 Å²	31	58.9 Å²	58.9	14%	0.136	28%	0.278	C	S	.	.			trans	-76.2	149.6	179.4	63	-80.1	0	0	0	111.5	V299 E304 L433 R440	V299-F302 WeakPolarHBondContact O-CD1 3.33Å; V299-F302 WeakPolarHBondContact O-CE1 3.48Å; F302-E304 PolarHBondContact O-N 2.86Å; F302-E304 VanDerWaalsContact O-N 3.17Å; F302-L433 HydrophobicContact CD1-CD1 4.12Å; F302-L433 HydrophobicContact CE1-CD1 3.54Å; F302-L433 HydrophobicContact CZ-CD1 3.8Å; F302-L433 HydrophobicContact CZ-CD2 4.13Å; F302-R440 HydrophobicContact CE2-CG 4.15Å; F302-R440 HydrophobicContact CZ-CG 4.44Å
303	S	67.7	Low	84.5	Confident	65 Å²	65	59.5 Å²	59.5	46%	0.455	29%	0.285	S	S	.	.			trans	-66.8	116.2	172	-177.1	0	0	0	0	110.1	H305 K306 R440	S303-H305 PolarHBondContact O-N 3.23Å; S303-K306 PolarHBondContact O-N 3.25Å; S303-K306 VanDerWaalsContact O-N 3.13Å; S303-R440 PolarHBondContact O-NH2 3.5Å; S303-R440 VanDerWaalsContact O-NH2 3.13Å
304	E	69.8	Low	84.7	Confident	16 Å²	16	57.6 Å²	57.6	8%	0.075	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-30.4	-172	-66.5	-177.9	155.4	0	0	113.3	F302 R440 Y444 K448 S475 Q479 M690	F302-E304 PolarHBondContact O-N 2.86Å; F302-E304 VanDerWaalsContact O-N 3.17Å; E304-R440 PolarHBondContact O-NE 3.2Å; E304-R440 PolarHBondContact O-NH2 3.13Å; E304-Y444 HydrophobicContact CB-CD2 3.82Å; E304-Y444 HydrophobicContact CB-CE2 4.3Å; E304-Y444 HydrophobicContact CG-CD2 4.33Å; E304-Y444 WeakPolarHBondContact OE2-CD2 3.25Å; E304-Y444 WeakPolarHBondContact OE2-CE2 3.34Å; E304-K448 WeakPolarHBondContact OE2-CE 3.36Å; E304-K448 IonicContact OE2-NZ 3.53Å; E304-S475 PolarHBondContact OE1-OG 2.84Å; E304-Q479 VanDerWaalsContact CD-NE2 3.25Å; E304-Q479 PolarHBondContact OE1-NE2 3.26Å; E304-Q479 PolarHBondContact OE2-NE2 3.15Å; E304-Q479 PolarHBondContact OE2-OE1 3.18Å; E304-M690 WeakPolarHBondContact O-CE 3.29Å
305	H	70	Confident	84.7	Confident	68 Å²	68	56.7 Å²	56.7	32%	0.315	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-11.8	-175.4	-53.7	-49.8	0	0	0	116.1	S303 Y444 V686 K693	S303-H305 PolarHBondContact O-N 3.23Å; H305-Y444 AromaticContact CE1-CE2 3.12Å; H305-Y444 WeakPolarHBondContact CE1-CE2 3.49Å; H305-Y444 AromaticContact CE1-CZ 3.5Å; H305-Y444 PolarHBondContact CE1-OH 2.69Å; H305-Y444 AromaticContact ND1-CE2 3.85Å; H305-V686 WeakPolarHBondContact CE1-CG1 3.13Å; H305-V686 WeakPolarHBondContact ND1-CG1 3.22Å; H305-K693 PolarHBondContact O-NZ 3.04Å
306	K	78.9	Confident	84.7	Confident	142 Å²	142	59.2 Å²	59.2	62%	0.617	28%	0.282	S	S	*	.	S	Bend	trans	-100.4	142.6	-175.2	-66.7	-175.7	179.3	-179.7	0	110.8	S303 T308 R440	S303-K306 PolarHBondContact O-N 3.25Å; S303-K306 VanDerWaalsContact O-N 3.13Å; K306-T308 PolarHBondContact O-N 2.92Å; K306-R440 PolarHBondContact O-NH1 2.73Å; K306-R440 PolarHBondContact O-NH2 3.39Å
307	P	79.7	Confident	84.7	Confident	58 Å²	58	63.5 Å²	63.5	38%	0.377	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-50.9	141.4	168.3	-23.9	34.3	0	0	0	110.3	A311 I312 K693	P307-A311 HydrophobicContact CB-CB 4.4Å; P307-I312 HydrophobicContact CB-CD1 4.47Å; P307-I312 HydrophobicContact CB-CG1 4.07Å; P307-K693 HydrophobicContact CG-CD 4.49Å
308	T	84.2	Confident	84.6	Confident	25 Å²	25	64.7 Å²	64.7	15%	0.153	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-69.5	154.3	172.1	55.7	0	0	0	0	108.7	K306 E310 A311 I312	K306-T308 PolarHBondContact O-N 2.92Å; T308-E310 PolarHBondContact O-N 2.82Å; T308-A311 WeakPolarHBondContact O-CB 3.37Å; T308-A311 PolarHBondContact O-N 3.09Å; T308-A311 WeakPolarHBondContact OG1-CB 3.46Å; T308-A311 PolarHBondContact OG1-N 3.13Å; T308-I312 PolarHBondContact O-N 2.89Å
309	Y	85.4	Confident	84.4	Confident	186 Å²	186	58.3 Å²	58.3	73%	0.729	30%	0.295	S	S	*	.	H	α-helix	trans	-53.1	-41.9	174.5	175.2	-101.4	0	0	0	111.5	A311 I312 V313	Y309-A311 VanDerWaalsContact C-N 3.33Å; Y309-A311 PolarHBondContact O-N 3.2Å; Y309-I312 WeakPolarHBondContact O-CB 3.25Å; Y309-I312 PolarHBondContact O-N 2.95Å; Y309-V313 HydrophobicContact CD1-CG2 4.18Å; Y309-V313 HydrophobicContact CE1-CG2 3.7Å; Y309-V313 HydrophobicContact CE2-CG2 4.11Å; Y309-V313 WeakPolarHBondContact O-CG2 3.44Å; Y309-V313 PolarHBondContact O-N 3.21Å
310	E	87.8	Confident	84	Confident	44 Å²	44	63.2 Å²	63.2	21%	0.206	32%	0.321	C	S	.	.	H	α-helix	trans	-64.1	-34.8	177.1	-171.4	156.1	177.2	0	0	113.5	T308 I312 V313 L314 Q430 A434	T308-E310 PolarHBondContact O-N 2.82Å; E310-I312 VanDerWaalsContact C-N 3.33Å; E310-I312 PolarHBondContact O-N 3.31Å; E310-V313 PolarHBondContact O-N 2.64Å; E310-L314 HydrophobicContact CG-CD1 3.95Å; E310-L314 HydrophobicContact CG-CG 4.38Å; E310-L314 WeakPolarHBondContact O-CB 3.35Å; E310-L314 VanDerWaalsContact O-CG 3.25Å; E310-L314 WeakPolarHBondContact O-CG 3.47Å; E310-L314 PolarHBondContact O-N 3.32Å; E310-Q430 WeakPolarHBondContact OE2-CG 3.43Å; E310-Q430 PolarHBondContact OE2-NE2 2.85Å; E310-A434 HydrophobicContact CB-CB 4.15Å; E310-A434 HydrophobicContact CG-CB 4.13Å
311	A	88.5	Confident	83	Confident	15 Å²	15	69.3 Å²	69.3	12%	0.124	35%	0.347	C	S	.	.	H	α-helix	trans	-62.8	-41.5	173.6	0	0	0	0	0	111.8	P307 T308 Y309 Q315 A434	P307-A311 HydrophobicContact CB-CB 4.4Å; T308-A311 WeakPolarHBondContact O-CB 3.37Å; T308-A311 PolarHBondContact O-N 3.09Å; T308-A311 WeakPolarHBondContact OG1-CB 3.46Å; T308-A311 PolarHBondContact OG1-N 3.13Å; Y309-A311 VanDerWaalsContact C-N 3.33Å; Y309-A311 PolarHBondContact O-N 3.2Å; A311-Q315 VanDerWaalsContact O-CB 3.31Å; A311-Q315 WeakPolarHBondContact O-CB 3.28Å; A311-Q315 PolarHBondContact O-N 2.98Å; A311-A434 HydrophobicContact CB-CB 4.03Å; A311-A434 WeakPolarHBondContact CB-O 3.32Å
312	I	87.8	Confident	81.4	Confident	72 Å²	72	73.3 Å²	73.3	37%	0.369	38%	0.376	S	S	.	.	H	α-helix	trans	-63.3	-50.8	178.7	-61.4	169.1	0	0	0	110	P307 T308 Y309 E310 L314 Q315 E316	P307-I312 HydrophobicContact CB-CD1 4.47Å; P307-I312 HydrophobicContact CB-CG1 4.07Å; T308-I312 PolarHBondContact O-N 2.89Å; Y309-I312 WeakPolarHBondContact O-CB 3.25Å; Y309-I312 PolarHBondContact O-N 2.95Å; E310-I312 VanDerWaalsContact C-N 3.33Å; E310-I312 PolarHBondContact O-N 3.31Å; I312-L314 VanDerWaalsContact C-N 3.35Å; I312-L314 PolarHBondContact O-N 2.93Å; I312-Q315 PolarHBondContact O-N 3.49Å; I312-E316 WeakPolarHBondContact O-CG 3.26Å; I312-E316 PolarHBondContact O-N 3.39Å
313	V	90.8	Very high	80.2	Confident	37 Å²	37	76.9 Å²	76.9	22%	0.224	40%	0.401	C	S	.	.	H	α-helix	trans	-58.6	-45.9	179.2	173.2	0	0	0	0	111.3	Y309 E310 Q315 E316 M317	Y309-V313 HydrophobicContact CD1-CG2 4.18Å; Y309-V313 HydrophobicContact CE1-CG2 3.7Å; Y309-V313 HydrophobicContact CE2-CG2 4.11Å; Y309-V313 WeakPolarHBondContact O-CG2 3.44Å; Y309-V313 PolarHBondContact O-N 3.21Å; E310-V313 PolarHBondContact O-N 2.64Å; V313-Q315 PolarHBondContact O-N 3.22Å; V313-E316 PolarHBondContact O-N 2.86Å; V313-M317 HydrophobicContact CG1-CE 3.65Å; V313-M317 HydrophobicContact CG1-CG 4.46Å; V313-M317 HydrophobicContact CG1-SD 4.15Å; V313-M317 WeakPolarHBondContact O-CB 3.48Å; V313-M317 VanDerWaalsContact O-CG 3.29Å; V313-M317 WeakPolarHBondContact O-CG 3.37Å; V313-M317 PolarHBondContact O-N 2.87Å
314	L	91.9	Very high	78.6	Confident	10 Å²	10	76.8 Å²	76.8	5%	0.052	41%	0.41	C	S	.	.	H	α-helix	trans	-64.4	-40.2	178.6	-72.9	169.9	0	0	0	112	E310 I312 M317 M318 L431 A434 V435 P626	E310-L314 HydrophobicContact CG-CD1 3.95Å; E310-L314 HydrophobicContact CG-CG 4.38Å; E310-L314 WeakPolarHBondContact O-CB 3.35Å; E310-L314 VanDerWaalsContact O-CG 3.25Å; E310-L314 WeakPolarHBondContact O-CG 3.47Å; E310-L314 PolarHBondContact O-N 3.32Å; I312-L314 VanDerWaalsContact C-N 3.35Å; I312-L314 PolarHBondContact O-N 2.93Å; L314-M317 PolarHBondContact O-N 2.88Å; L314-M318 WeakPolarHBondContact O-CB 3.36Å; L314-M318 VanDerWaalsContact O-CG 3.26Å; L314-M318 WeakPolarHBondContact O-CG 3.47Å; L314-M318 PolarHBondContact O-N 3.3Å; L314-L431 HydrophobicContact CD1-CD1 3.48Å; L314-L431 VanDerWaalsContact CD1-CD1 3.48Å; L314-A434 HydrophobicContact CD1-CB 4.23Å; L314-V435 HydrophobicContact CD1-CG1 3.64Å; L314-P626 HydrophobicContact CD2-CG 4.39Å
315	Q	88.8	Confident	76.9	Confident	130 Å²	130	84.6 Å²	84.6	61%	0.607	45%	0.446	S	S	*	.	H	α-helix	trans	-63.3	-43.1	177.6	-171.8	172.5	12.1	0	0	111.8	A311 I312 V313 M318 A319	A311-Q315 VanDerWaalsContact O-CB 3.31Å; A311-Q315 WeakPolarHBondContact O-CB 3.28Å; A311-Q315 PolarHBondContact O-N 2.98Å; I312-Q315 PolarHBondContact O-N 3.49Å; V313-Q315 PolarHBondContact O-N 3.22Å; Q315-M318 PolarHBondContact O-N 3.02Å; Q315-A319 WeakPolarHBondContact O-CB 3.21Å; Q315-A319 PolarHBondContact O-N 2.75Å
316	E	89.8	Confident	75.2	Confident	116 Å²	116	87 Å²	87	54%	0.542	47%	0.468	S	S	.	.	H	α-helix	trans	-63.8	-45.5	175	-71.2	175.2	179.2	0	0	111.9	I312 V313 M318 A319 N320	I312-E316 WeakPolarHBondContact O-CG 3.26Å; I312-E316 PolarHBondContact O-N 3.39Å; V313-E316 PolarHBondContact O-N 2.86Å; E316-M318 VanDerWaalsContact C-N 3.33Å; E316-M318 PolarHBondContact O-N 3.16Å; E316-A319 PolarHBondContact O-N 3.25Å; E316-N320 WeakPolarHBondContact O-CB 3.12Å; E316-N320 VanDerWaalsContact O-CG 3.29Å; E316-N320 PolarHBondContact O-N 3.27Å; E316-N320 PolarHBondContact O-ND2 3.41Å
317	M	90	Very high	72.9	Confident	96 Å²	96	89 Å²	89	47%	0.473	48%	0.48	S	S	.	.	H	α-helix	trans	-59.3	-43.1	176.5	-75.3	-177.1	177.4	0	0	112.2	V313 L314 K321	V313-M317 HydrophobicContact CG1-CE 3.65Å; V313-M317 HydrophobicContact CG1-CG 4.46Å; V313-M317 HydrophobicContact CG1-SD 4.15Å; V313-M317 WeakPolarHBondContact O-CB 3.48Å; V313-M317 VanDerWaalsContact O-CG 3.29Å; V313-M317 WeakPolarHBondContact O-CG 3.37Å; V313-M317 PolarHBondContact O-N 2.87Å; L314-M317 PolarHBondContact O-N 2.88Å; M317-K321 PolarHBondContact O-N 3.04Å
318	M	90.2	Very high	70.5	Confident	41 Å²	41	93.6 Å²	93.6	20%	0.202	50%	0.501	C	S	.	.	H	α-helix	trans	-72	-36.2	179.8	-67.2	-60	-98.8	0	0	111.7	L314 Q315 E316 K321 S322 D622 K623 P626	L314-M318 WeakPolarHBondContact O-CB 3.36Å; L314-M318 VanDerWaalsContact O-CG 3.26Å; L314-M318 WeakPolarHBondContact O-CG 3.47Å; L314-M318 PolarHBondContact O-N 3.3Å; Q315-M318 PolarHBondContact O-N 3.02Å; E316-M318 VanDerWaalsContact C-N 3.33Å; E316-M318 PolarHBondContact O-N 3.16Å; M318-K321 PolarHBondContact O-N 2.71Å; M318-S322 PolarHBondContact O-OG 2.99Å; M318-D622 VanDerWaalsContact CE-O 3.29Å; M318-D622 WeakPolarHBondContact CE-O 3.24Å; M318-K623 VanDerWaalsContact CE-C 3.43Å; M318-K623 WeakPolarHBondContact CE-O 3.49Å; M318-P626 HydrophobicContact SD-CG 4.11Å
319	A	86.8	Confident	67.9	Low	49 Å²	49	101.9 Å²	101.9	41%	0.405	54%	0.538	S	S	.	.	H	α-helix	trans	-63.9	-42.5	174.9	0	0	0	0	0	112.6	Q315 E316 K321 S322 T323	Q315-A319 WeakPolarHBondContact O-CB 3.21Å; Q315-A319 PolarHBondContact O-N 2.75Å; E316-A319 PolarHBondContact O-N 3.25Å; A319-K321 VanDerWaalsContact C-N 3.32Å; A319-K321 PolarHBondContact O-N 2.79Å; A319-S322 PolarHBondContact O-N 3.45Å; A319-S322 VanDerWaalsContact O-N 3.13Å; A319-S322 PolarHBondContact O-OG 2.97Å; A319-T323 PolarHBondContact O-N 2.86Å; A319-T323 PolarHBondContact O-OG1 3.36Å
320	N	81.6	Confident	65.2	Low	111 Å²	111	102.6 Å²	102.6	59%	0.594	55%	0.548	S	S	*	.	H	α-helix	trans	-66.5	-30.8	-180	-72.2	-21.9	0	0	0	113.2	E316 S322 T323 G324	E316-N320 WeakPolarHBondContact O-CB 3.12Å; E316-N320 VanDerWaalsContact O-CG 3.29Å; E316-N320 PolarHBondContact O-N 3.27Å; E316-N320 PolarHBondContact O-ND2 3.41Å; N320-S322 VanDerWaalsContact C-N 3.27Å; N320-S322 PolarHBondContact O-N 3.38Å; N320-T323 PolarHBondContact O-N 3.21Å; N320-T323 PolarHBondContact O-OG1 2.91Å; N320-G324 PolarHBondContact O-N 3.11Å
321	K	70.3	Confident	62.4	Low	130 Å²	130	104 Å²	104	57%	0.565	57%	0.574	S	S	*	*	H	α-helix	trans	-67	-29.2	173.7	-75	-175.8	179.5	-177.2	0	112.4	M317 M318 A319 D628	M317-K321 PolarHBondContact O-N 3.04Å; M318-K321 PolarHBondContact O-N 2.71Å; A319-K321 VanDerWaalsContact C-N 3.32Å; A319-K321 PolarHBondContact O-N 2.79Å; K321-D628 IonicContact NZ-OD1 3.84Å
322	S	57	Low	59.4	Low	98 Å²	98	115 Å²	115	69%	0.685	61%	0.613	S	S	*	*	H	α-helix	trans	-79.3	-24.2	176.7	21.2	0	0	0	0	114.6	M318 A319 N320	M318-S322 PolarHBondContact O-OG 2.99Å; A319-S322 PolarHBondContact O-N 3.45Å; A319-S322 VanDerWaalsContact O-N 3.13Å; A319-S322 PolarHBondContact O-OG 2.97Å; N320-S322 VanDerWaalsContact C-N 3.27Å; N320-S322 PolarHBondContact O-N 3.38Å
323	T	47.4	Very low	56.6	Low	106 Å²	106	118.2 Å²	118.2	65%	0.65	64%	0.636	S	S	*	*	H	α-helix	trans	-96	-9.5	-175.6	44.2	0	0	0	0	114.9	A319 N320 H325	A319-T323 PolarHBondContact O-N 2.86Å; A319-T323 PolarHBondContact O-OG1 3.36Å; N320-T323 PolarHBondContact O-N 3.21Å; N320-T323 PolarHBondContact O-OG1 2.91Å; T323-H325 PolarHBondContact O-N 2.88Å
324	G	34.9	Very low	54.2	Low	63 Å²	63	122.4 Å²	122.4	65%	0.649	66%	0.664	S	S	*	*			trans	-72.5	39	-174.9	0	0	0	0	0	117.3	N320 P326	N320-G324 PolarHBondContact O-N 3.11Å; G324-P326 WeakPolarHBondContact O-CD 3.11Å
325	H	32.4	Very low	51.4	Low	179 Å²	179	126.7 Å²	126.7	83%	0.829	70%	0.701	S	S	*	*			trans	-113.3	86.3	169.2	-141.5	1.2	0	0	0	110	T323 Q327	T323-H325 PolarHBondContact O-N 2.88Å; H325-Q327 PolarHBondContact O-N 3.43Å
326	P	35.4	Very low	48.7	Very low	118 Å²	118	132.6 Å²	132.6	77%	0.766	72%	0.717	S	S	*	*			trans	-75.9	113.2	-178.3	-4.3	21.5	0	0	0	109.6	G324 N328	G324-P326 WeakPolarHBondContact O-CD 3.11Å; P326-N328 PolarHBondContact O-N 3.5Å
327	Q	31	Very low	45.9	Very low	186 Å²	186	138.9 Å²	138.9	87%	0.869	74%	0.736	S	S	*	*			trans	-70.6	104	160.7	-68.5	178.8	-13.1	0	0	107.9	H325	H325-Q327 PolarHBondContact O-N 3.43Å
328	N	29.2	Very low	43.1	Very low	154 Å²	154	144.4 Å²	144.4	82%	0.824	76%	0.758	S	S	*	*			trans	-173.7	110.8	153.7	-98.5	-20	0	0	0	109.2	P326	P326-N328 PolarHBondContact O-N 3.5Å
329	E	29.4	Very low	40.3	Very low	199 Å²	199	149.9 Å²	149.9	93%	0.93	78%	0.784	S	S	*	*			trans	-165.1	93.7	144.5	-109.7	173.5	-154.8	0	0	110
330	Q	27.9	Very low	37.7	Very low	201 Å²	201	159.3 Å²	159.3	94%	0.939	81%	0.81	S	S	*	*			trans	-83.2	119.1	156.7	-76.1	168.4	-14.7	0	0	107.4
331	G	29.3	Very low	35.4	Very low	74 Å²	74	157.9 Å²	157.9	76%	0.763	82%	0.821	S	S	*	*			trans	-177.4	68.1	179.5	0	0	0	0	0	112.4	T333	G331-T333 PolarHBondContact O-N 3.04Å
332	R	25.8	Very low	33.7	Very low	245 Å²	245	157.7 Å²	157.7	93%	0.925	82%	0.82	S	S	*	*			trans	-61.7	125.3	172.3	-74.2	173.9	171.9	170.3	-2.6	110.3
333	T	29.7	Very low	32.7	Very low	139 Å²	139	163 Å²	163	85%	0.853	83%	0.831	S	S	*	*			trans	-160.2	134.8	135.6	15.2	0	0	0	0	110.6	G331	G331-T333 PolarHBondContact O-N 3.04Å
334	P	39.8	Very low	32.3	Very low	126 Å²	126	162.5 Å²	162.5	82%	0.818	82%	0.821	S	S	*	*			trans	-104.9	127.1	-167.6	35.2	-24.1	0	0	0	112.3
335	A	32.1	Very low	32.6	Very low	100 Å²	100	166.7 Å²	166.7	83%	0.826	82%	0.824	S	S	*	*			trans	-152.7	105.1	160.7	0	0	0	0	0	113.1
336	R	33.6	Very low	32.9	Very low	254 Å²	254	168.1 Å²	168.1	96%	0.958	83%	0.828	S	S	*	*			trans	49.1	94.4	148.9	-83.6	177.3	164.1	175.9	-4.5	119.7
337	R	31.1	Very low	33.8	Very low	248 Å²	248	171.6 Å²	171.6	94%	0.936	83%	0.831	S	S	*	*			trans	-42.3	125	156.8	-67.2	169.9	172	163.9	-3.9	114.6
338	K	30.7	Very low	35.3	Very low	212 Å²	212	166.6 Å²	166.6	92%	0.922	81%	0.807	S	S	*	*			trans	-144.7	91.6	138.3	-92.9	-174	178.9	177.2	0	107.3
339	M	30.4	Very low	37.2	Very low	155 Å²	155	166.3 Å²	166.3	76%	0.764	81%	0.811	S	S	*	*			trans	-128.2	120.3	174.4	-131.6	174.9	167.7	0	0	111.4	T22	T22-M339 HydrophobicContact CG2-CE 3.34Å; T22-M339 HydrophobicContact CG2-SD 3.89Å
340	R	32.6	Very low	39.9	Very low	248 Å²	248	158.4 Å²	158.4	94%	0.936	78%	0.776	S	S	*	*			trans	-73.7	123.9	-176.7	-150.8	173.2	178.6	-179.3	-1.8	107.8	K342	R340-K342 PolarHBondContact O-N 3.48Å
341	G	34	Very low	43	Very low	81 Å²	81	152.8 Å²	152.8	84%	0.835	75%	0.752	S	S	*	*			trans	-57.9	117.1	-172.1	0	0	0	0	0	113.5	K343	G341-K343 PolarHBondContact O-N 3.04Å
342	K	34.7	Very low	46.1	Very low	125 Å²	125	149.7 Å²	149.7	54%	0.543	72%	0.718	S	S	.	*			trans	-79	108.9	162	-89.2	177.3	170.8	169.6	0	107.7	S23 R340 Q344	S23-K342 PolarHBondContact OG-NZ 3.34Å; R340-K342 PolarHBondContact O-N 3.48Å; K342-Q344 PolarHBondContact O-N 3.4Å
343	K	34.7	Very low	49.4	Very low	209 Å²	209	144 Å²	144	91%	0.909	70%	0.697	S	S	*	*			trans	-51.4	107.1	165	-102.3	178.9	171.2	-179.9	0	108	G341 Q345	G341-K343 PolarHBondContact O-N 3.04Å; K343-Q345 PolarHBondContact O-N 3.37Å
344	Q	38.8	Very low	52.6	Low	96 Å²	96	138.5 Å²	138.5	45%	0.449	66%	0.663	S	S	.	*			trans	-61.3	115.6	161.9	-81.3	166.9	-35.3	0	0	106.4	A21 K342 K346	A21-Q344 HydrophobicContact CB-CG 3.68Å; K342-Q344 PolarHBondContact O-N 3.4Å; Q344-K346 PolarHBondContact O-N 2.96Å
345	Q	41.7	Very low	55.3	Low	152 Å²	152	133.1 Å²	133.1	71%	0.71	63%	0.627	S	S	*	*			trans	-58.2	111.3	170.5	-76.1	175.5	-21	0	0	106.8	K343 K347	K343-Q345 PolarHBondContact O-N 3.37Å; Q345-K347 VanDerWaalsContact C-N 3.32Å; Q345-K347 PolarHBondContact O-N 3.39Å
346	K	39.9	Very low	58.4	Low	208 Å²	208	128.5 Å²	128.5	90%	0.904	59%	0.589	S	S	*	*			trans	-63.7	98.4	172.8	-146.5	-177.4	-175.2	-168.5	0	104.9	Q344 E348	Q344-K346 PolarHBondContact O-N 2.96Å; K346-E348 PolarHBondContact O-N 3.38Å
347	K	54.2	Low	61.5	Low	192 Å²	192	117.4 Å²	117.4	84%	0.835	55%	0.548	S	S	*	.			trans	-62.2	105.6	171.1	-86.7	-174.8	174.1	-176.2	0	105.8	Q345 V349	Q345-K347 VanDerWaalsContact C-N 3.32Å; Q345-K347 PolarHBondContact O-N 3.39Å; K347-V349 PolarHBondContact O-N 3.46Å
348	E	62.1	Low	64.6	Low	81 Å²	81	107.3 Å²	107.3	38%	0.379	51%	0.512	S	S	.	.			trans	-57.9	118.7	172.4	-160.2	173.2	158.7	0	0	107.2	E213 K346 V350	E213-E348 VanDerWaalsContact CG-OE1 3.29Å; E213-E348 WeakPolarHBondContact CG-OE1 3.12Å; K346-E348 PolarHBondContact O-N 3.38Å; E348-V350 HydrophobicContact CB-CG2 4.37Å; E348-V350 HydrophobicContact CG-CG2 4.28Å; E348-V350 PolarHBondContact O-N 3.02Å
349	V	69.4	Low	67.9	Low	147 Å²	147	97.2 Å²	97.2	89%	0.891	47%	0.468	S	S	*	.			trans	-78.1	95.5	179.7	178.9	0	0	0	0	106.1	K347	K347-V349 PolarHBondContact O-N 3.46Å
350	V	84.7	Confident	71.1	Confident	33 Å²	33	89.9 Å²	89.9	20%	0.2	43%	0.431	C	S	.	.			trans	-90.6	125.5	-179.4	175.5	0	0	0	0	109.5	E348 L352 I355 H381	E348-V350 HydrophobicContact CB-CG2 4.37Å; E348-V350 HydrophobicContact CG-CG2 4.28Å; E348-V350 PolarHBondContact O-N 3.02Å; V350-L352 VanDerWaalsContact C-N 3.31Å; V350-L352 PolarHBondContact O-N 3.04Å; V350-I355 HydrophobicContact CG1-CD1 3.32Å; V350-I355 HydrophobicContact CG1-CG1 4.49Å; V350-H381 WeakPolarHBondContact CG2-CE1 3.48Å
351	D	92.7	Very high	74.2	Confident	83 Å²	83	81.3 Å²	81.3	44%	0.444	40%	0.402	S	S	.	.			trans	-75.3	85	172.4	-176.9	-1.6	0	0	0	110.5	R353 T354 I355	D351-R353 PolarHBondContact O-N 2.96Å; D351-R353 WeakPolarHBondContact OD1-CB 3.47Å; D351-R353 PolarHBondContact OD1-N 2.75Å; D351-T354 VanDerWaalsContact CG-OG1 3.28Å; D351-T354 PolarHBondContact O-N 3.48Å; D351-T354 PolarHBondContact OD1-N 2.76Å; D351-T354 VanDerWaalsContact OD1-N 3.17Å; D351-T354 WeakPolarHBondContact OD2-CB 3.28Å; D351-T354 PolarHBondContact OD2-OG1 2.89Å; D351-I355 WeakPolarHBondContact O-CG1 3.42Å; D351-I355 PolarHBondContact O-N 2.93Å; D351-I355 VanDerWaalsContact O-N 3.12Å
352	L	95.2	Very high	77.2	Confident	9 Å²	9	77.7 Å²	77.7	5%	0.047	36%	0.364	C	S	.	.	H	α-helix	trans	-55.6	-36.1	178.8	-77.3	169.6	0	0	0	112.5	V350 L356 I378 H381 T389 Q390 A393	V350-L352 VanDerWaalsContact C-N 3.31Å; V350-L352 PolarHBondContact O-N 3.04Å; L352-L356 VanDerWaalsContact O-CB 3.27Å; L352-L356 WeakPolarHBondContact O-CB 3.48Å; L352-L356 VanDerWaalsContact O-CD1 3.22Å; L352-L356 WeakPolarHBondContact O-CD1 3.34Å; L352-L356 WeakPolarHBondContact O-CG 3.31Å; L352-L356 PolarHBondContact O-N 2.96Å; L352-I378 HydrophobicContact CD2-CG2 3.9Å; L352-H381 HydrophobicContact CD2-CB 3.81Å; L352-H381 HydrophobicContact CG-CB 4.44Å; L352-T389 HydrophobicContact CB-CG2 3.85Å; L352-T389 HydrophobicContact CD1-CG2 3.93Å; L352-Q390 HydrophobicContact CD1-CG 3.98Å; L352-A393 HydrophobicContact CB-CB 4.46Å; L352-A393 HydrophobicContact CD1-CB 4.1Å; L352-A393 HydrophobicContact CD2-CB 4.11Å; L352-A393 HydrophobicContact CG-CB 4.48Å
353	R	95.4	Very high	80.2	Confident	126 Å²	126	72.2 Å²	72.2	48%	0.475	34%	0.341	S	S	.	.	H	α-helix	trans	-63.6	-47	-179.7	173.4	-178.2	168.4	158.3	0.2	110.3	D351 L356 I357 M611 Y612	D351-R353 PolarHBondContact O-N 2.96Å; D351-R353 WeakPolarHBondContact OD1-CB 3.47Å; D351-R353 PolarHBondContact OD1-N 2.75Å; R353-L356 PolarHBondContact O-N 3.04Å; R353-I357 HydrophobicContact CG-CD1 4.33Å; R353-I357 WeakPolarHBondContact O-CG1 3.42Å; R353-I357 PolarHBondContact O-N 3.39Å; R353-I357 VanDerWaalsContact O-N 3.12Å; R353-M611 HydrophobicContact CG-CE 4.07Å; R353-M611 HydrophobicContact CG-SD 4.32Å; R353-Y612 VanDerWaalsContact NE-CE1 3.34Å; R353-Y612 PolarHBondContact NH2-OH 3.34Å
354	T	96.2	Very high	83.1	Confident	23 Å²	23	64.7 Å²	64.7	14%	0.141	32%	0.315	C	S	.	.	H	α-helix	trans	-70.6	-39.9	-178.1	-57.5	0	0	0	0	111.8	W205 D351 L356 I357 H358	W205-T354 HydrophobicContact CH2-CG2 3.29Å; W205-T354 HydrophobicContact CZ2-CG2 3.24Å; W205-T354 HydrophobicContact CZ3-CG2 4.37Å; D351-T354 VanDerWaalsContact CG-OG1 3.28Å; D351-T354 PolarHBondContact O-N 3.48Å; D351-T354 PolarHBondContact OD1-N 2.76Å; D351-T354 VanDerWaalsContact OD1-N 3.17Å; D351-T354 WeakPolarHBondContact OD2-CB 3.28Å; D351-T354 PolarHBondContact OD2-OG1 2.89Å; T354-L356 VanDerWaalsContact C-N 3.32Å; T354-L356 PolarHBondContact O-N 2.99Å; T354-I357 PolarHBondContact O-N 3.07Å; T354-H358 VanDerWaalsContact CG2-CE1 3.42Å; T354-H358 WeakPolarHBondContact CG2-CE1 3.17Å; T354-H358 PolarHBondContact O-N 3.3Å; T354-H358 PolarHBondContact O-ND1 2.73Å
355	I	96.7	Very high	85.7	Confident	13 Å²	13	65.1 Å²	65.1	7%	0.067	32%	0.324	C	S	.	.	H	α-helix	trans	-65	-36.8	175.8	-58.4	179.9	0	0	0	111.4	V210 V350 D351 I357 H358 C359 M374 I377 I378	V210-I355 HydrophobicContact CG1-CD1 4.29Å; V210-I355 HydrophobicContact CG1-CG1 4.38Å; V350-I355 HydrophobicContact CG1-CD1 3.32Å; V350-I355 HydrophobicContact CG1-CG1 4.49Å; D351-I355 WeakPolarHBondContact O-CG1 3.42Å; D351-I355 PolarHBondContact O-N 2.93Å; D351-I355 VanDerWaalsContact O-N 3.12Å; I355-I357 PolarHBondContact O-N 2.85Å; I355-H358 PolarHBondContact O-N 3.4Å; I355-C359 VanDerWaalsContact O-CB 3.28Å; I355-C359 WeakPolarHBondContact O-CB 3.32Å; I355-C359 PolarHBondContact O-N 3.48Å; I355-M374 HydrophobicContact CG2-CB 4.44Å; I355-I377 HydrophobicContact CD1-CG2 3.87Å; I355-I377 HydrophobicContact CG2-CG2 4.49Å; I355-I378 HydrophobicContact CB-CG1 4.29Å; I355-I378 HydrophobicContact CG2-CD1 3.97Å; I355-I378 HydrophobicContact CG2-CG1 3.57Å
356	L	98.2	Very high	88.1	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-61.4	-42.3	173.4	-78.7	160.2	0	0	0	112.3	L352 R353 T354 C359 A360 I378 A393 L396 V397 L400 F607 M611	L352-L356 VanDerWaalsContact O-CB 3.27Å; L352-L356 WeakPolarHBondContact O-CB 3.48Å; L352-L356 VanDerWaalsContact O-CD1 3.22Å; L352-L356 WeakPolarHBondContact O-CD1 3.34Å; L352-L356 WeakPolarHBondContact O-CG 3.31Å; L352-L356 PolarHBondContact O-N 2.96Å; R353-L356 PolarHBondContact O-N 3.04Å; T354-L356 VanDerWaalsContact C-N 3.32Å; T354-L356 PolarHBondContact O-N 2.99Å; L356-C359 PolarHBondContact O-N 3.38Å; L356-A360 PolarHBondContact O-N 2.79Å; L356-I378 HydrophobicContact CD2-CD1 3.87Å; L356-I378 HydrophobicContact CD2-CG2 4.22Å; L356-I378 HydrophobicContact CG-CD1 4.17Å; L356-I378 HydrophobicContact CG-CG2 4.47Å; L356-A393 HydrophobicContact CD1-CB 3.9Å; L356-L396 HydrophobicContact CD1-CD1 4Å; L356-L396 HydrophobicContact CD2-CB 3.81Å; L356-L396 HydrophobicContact CD2-CD1 4.36Å; L356-V397 HydrophobicContact CD2-CG2 4.5Å; L356-L400 HydrophobicContact CD2-CD1 4.31Å; L356-F607 HydrophobicContact CB-CE1 4.47Å; L356-F607 HydrophobicContact CB-CZ 4.23Å; L356-M611 HydrophobicContact CB-SD 4.3Å
357	I	97.9	Very high	90.8	Very high	21 Å²	21	56.4 Å²	56.4	11%	0.108	29%	0.292	C	S	.	.	H	α-helix	trans	-63.6	-46.2	176.3	-68	167.9	0	0	0	110.6	R353 T354 I355 C359 A360 Q361 M611	R353-I357 HydrophobicContact CG-CD1 4.33Å; R353-I357 WeakPolarHBondContact O-CG1 3.42Å; R353-I357 PolarHBondContact O-N 3.39Å; R353-I357 VanDerWaalsContact O-N 3.12Å; T354-I357 PolarHBondContact O-N 3.07Å; I355-I357 PolarHBondContact O-N 2.85Å; I357-C359 VanDerWaalsContact C-N 3.33Å; I357-C359 PolarHBondContact O-N 2.92Å; I357-A360 PolarHBondContact O-N 3.24Å; I357-Q361 WeakPolarHBondContact O-CG 3.44Å; I357-Q361 PolarHBondContact O-N 2.85Å; I357-M611 HydrophobicContact CD1-CE 3.85Å; I357-M611 HydrophobicContact CG1-CE 3.7Å; I357-M611 HydrophobicContact CG1-SD 4.45Å
358	H	97.3	Very high	92.7	Very high	36 Å²	36	51.1 Å²	51.1	17%	0.167	27%	0.27	C	S	.	.	H	α-helix	trans	-64	-38.6	177.1	-67.4	153.2	0	0	0	112.3	W205 T354 I355 A360 Q361 A362 M374	W205-H358 AromaticContact CH2-CE1 3.38Å; W205-H358 WeakPolarHBondContact CH2-CE1 3.33Å; W205-H358 AromaticContact CH2-ND1 3.76Å; W205-H358 AromaticContact CZ3-CE1 3.29Å; W205-H358 WeakPolarHBondContact CZ3-CE1 3.32Å; W205-H358 AromaticContact CZ3-ND1 3.79Å; T354-H358 VanDerWaalsContact CG2-CE1 3.42Å; T354-H358 WeakPolarHBondContact CG2-CE1 3.17Å; T354-H358 PolarHBondContact O-N 3.3Å; T354-H358 PolarHBondContact O-ND1 2.73Å; I355-H358 PolarHBondContact O-N 3.4Å; H358-A360 PolarHBondContact O-N 2.65Å; H358-Q361 PolarHBondContact CD2-OE1 3.13Å; H358-Q361 VanDerWaalsContact CD2-OE1 3.31Å; H358-Q361 WeakPolarHBondContact O-CB 3.3Å; H358-Q361 PolarHBondContact O-N 3.15Å; H358-A362 PolarHBondContact O-N 3.25Å; H358-M374 HydrophobicContact CB-CE 3.65Å; H358-M374 HydrophobicContact CB-SD 3.82Å
359	C	98.3	Very high	94.3	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-46.4	174	-171.5	0	0	0	0	110.6	I355 L356 I357 Q361 A362 V363 M374 I378 L400	I355-C359 VanDerWaalsContact O-CB 3.28Å; I355-C359 WeakPolarHBondContact O-CB 3.32Å; I355-C359 PolarHBondContact O-N 3.48Å; L356-C359 PolarHBondContact O-N 3.38Å; I357-C359 VanDerWaalsContact C-N 3.33Å; I357-C359 PolarHBondContact O-N 2.92Å; C359-Q361 VanDerWaalsContact C-N 3.3Å; C359-Q361 PolarHBondContact O-N 3.35Å; C359-A362 PolarHBondContact O-N 2.81Å; C359-V363 VanDerWaalsContact O-CG2 3.26Å; C359-V363 WeakPolarHBondContact O-CG2 3.49Å; C359-V363 PolarHBondContact O-N 2.95Å; C359-M374 VanDerWaalsContact CA-SD 3.57Å; C359-M374 HydrophobicContact CB-CB 3.87Å; C359-M374 HydrophobicContact CB-SD 4.21Å; C359-M374 PolarHBondContact N-SD 3.45Å; C359-M374 VanDerWaalsContact N-SD 3.39Å; C359-I378 HydrophobicContact CB-CD1 3.91Å; C359-L400 HydrophobicContact CB-CD1 4.25Å
360	A	98.1	Very high	95.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-36.8	176.1	0	0	0	0	0	112.3	L356 I357 H358 V363 S364 L400 F603 L604 F607	L356-A360 PolarHBondContact O-N 2.79Å; I357-A360 PolarHBondContact O-N 3.24Å; H358-A360 PolarHBondContact O-N 2.65Å; A360-V363 PolarHBondContact O-N 2.97Å; A360-S364 WeakPolarHBondContact O-CB 3.27Å; A360-S364 PolarHBondContact O-N 3.41Å; A360-L400 HydrophobicContact CB-CD2 4.18Å; A360-F603 HydrophobicContact CB-CE1 4.23Å; A360-F603 HydrophobicContact CB-CZ 4.48Å; A360-F603 WeakPolarHBondContact O-CE1 3.33Å; A360-L604 HydrophobicContact CB-CD2 4.05Å; A360-L604 WeakPolarHBondContact O-CD2 3.38Å; A360-F607 HydrophobicContact CB-CB 4.39Å; A360-F607 HydrophobicContact CB-CD1 3.4Å; A360-F607 VanDerWaalsContact CB-CD1 3.4Å; A360-F607 HydrophobicContact CB-CD2 4.01Å; A360-F607 HydrophobicContact CB-CE1 3.55Å; A360-F607 HydrophobicContact CB-CE2 4.14Å; A360-F607 HydrophobicContact CB-CG 3.65Å; A360-F607 HydrophobicContact CB-CZ 3.92Å
361	Q	98	Very high	96.3	Very high	69 Å²	69	45.3 Å²	45.3	32%	0.322	24%	0.239	S	C	.	.	H	α-helix	trans	-60.9	-48.7	171.9	-73.1	173.9	-20.1	0	0	111.8	I357 H358 C359 V363 S364 V365 L604	I357-Q361 WeakPolarHBondContact O-CG 3.44Å; I357-Q361 PolarHBondContact O-N 2.85Å; H358-Q361 PolarHBondContact CD2-OE1 3.13Å; H358-Q361 VanDerWaalsContact CD2-OE1 3.31Å; H358-Q361 WeakPolarHBondContact O-CB 3.3Å; H358-Q361 PolarHBondContact O-N 3.15Å; C359-Q361 VanDerWaalsContact C-N 3.3Å; C359-Q361 PolarHBondContact O-N 3.35Å; Q361-V363 VanDerWaalsContact C-N 3.3Å; Q361-V363 PolarHBondContact O-N 3.4Å; Q361-S364 WeakPolarHBondContact O-CB 3.32Å; Q361-S364 PolarHBondContact O-N 3.37Å; Q361-S364 PolarHBondContact O-OG 2.87Å; Q361-V365 PolarHBondContact O-N 3.21Å; Q361-V365 VanDerWaalsContact O-N 3.16Å; Q361-L604 HydrophobicContact CB-CD2 4.43Å; Q361-L604 HydrophobicContact CG-CD1 4.02Å; Q361-L604 HydrophobicContact CG-CD2 3.92Å
362	A	97.8	Very high	96.5	Very high	4 Å²	4	45 Å²	45	3%	0.033	24%	0.238	C	C	.	.	H	α-helix	trans	-58.2	-42.1	175.9	0	0	0	0	0	112	H358 C359 V365 N366 N367 L370 A371	H358-A362 PolarHBondContact O-N 3.25Å; C359-A362 PolarHBondContact O-N 2.81Å; A362-V365 WeakPolarHBondContact O-CG2 3.37Å; A362-V365 PolarHBondContact O-N 3.11Å; A362-N366 PolarHBondContact O-N 3.38Å; A362-N367 PolarHBondContact O-N 3Å; A362-L370 HydrophobicContact CB-CB 4.19Å; A362-L370 HydrophobicContact CB-CD2 3.96Å; A362-L370 HydrophobicContact CB-CG 3.98Å; A362-A371 HydrophobicContact CB-CB 3.92Å
363	V	96.8	Very high	96.6	Very high	10 Å²	10	48.8 Å²	48.8	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-40.3	174.1	175.4	0	0	0	0	111.7	C359 A360 Q361 V365 N366 A371 L400 R403 L404 F603	C359-V363 VanDerWaalsContact O-CG2 3.26Å; C359-V363 WeakPolarHBondContact O-CG2 3.49Å; C359-V363 PolarHBondContact O-N 2.95Å; A360-V363 PolarHBondContact O-N 2.97Å; Q361-V363 VanDerWaalsContact C-N 3.3Å; Q361-V363 PolarHBondContact O-N 3.4Å; V363-V365 VanDerWaalsContact C-N 3.32Å; V363-V365 PolarHBondContact O-N 2.78Å; V363-N366 PolarHBondContact O-N 2.91Å; V363-A371 HydrophobicContact CG2-CB 3.87Å; V363-L400 HydrophobicContact CG2-CD2 4.28Å; V363-R403 HydrophobicContact CG1-CG 4.19Å; V363-L404 HydrophobicContact CB-CD2 4.23Å; V363-L404 HydrophobicContact CB-CG 4.49Å; V363-L404 HydrophobicContact CG1-CD2 3.94Å; V363-L404 HydrophobicContact CG1-CG 4.09Å; V363-L404 HydrophobicContact CG2-CD1 3.89Å; V363-L404 HydrophobicContact CG2-CD2 3.85Å; V363-L404 HydrophobicContact CG2-CG 3.75Å; V363-F603 HydrophobicContact CB-CE1 4.4Å; V363-F603 HydrophobicContact CG1-CE1 4.19Å; V363-F603 HydrophobicContact CG1-CZ 4.36Å
364	S	95	Very high	96.6	Very high	51 Å²	51	43.3 Å²	43.3	36%	0.357	24%	0.238	S	C	.	.	H	α-helix	trans	-65.9	-31.9	-178.5	75.9	0	0	0	0	113.7	A360 Q361 N366	A360-S364 WeakPolarHBondContact O-CB 3.27Å; A360-S364 PolarHBondContact O-N 3.41Å; Q361-S364 WeakPolarHBondContact O-CB 3.32Å; Q361-S364 PolarHBondContact O-N 3.37Å; Q361-S364 PolarHBondContact O-OG 2.87Å; S364-N366 VanDerWaalsContact C-N 3.35Å
365	V	95	Very high	96.7	Very high	106 Å²	106	42.3 Å²	42.3	64%	0.642	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	13.2	176.9	-56.9	0	0	0	0	112.6	Q361 A362 V363 N367	Q361-V365 PolarHBondContact O-N 3.21Å; Q361-V365 VanDerWaalsContact O-N 3.16Å; A362-V365 WeakPolarHBondContact O-CG2 3.37Å; A362-V365 PolarHBondContact O-N 3.11Å; V363-V365 VanDerWaalsContact C-N 3.32Å; V363-V365 PolarHBondContact O-N 2.78Å; V365-N367 HydrophobicContact CG2-CB 4.03Å; V365-N367 PolarHBondContact O-N 2.73Å
366	N	91.6	Very high	96.7	Very high	109 Å²	109	46 Å²	46	58%	0.583	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	29.5	179.4	-149.9	43.6	0	0	0	114.9	A362 V363 S364 H368	A362-N366 PolarHBondContact O-N 3.38Å; V363-N366 PolarHBondContact O-N 2.91Å; S364-N366 VanDerWaalsContact C-N 3.35Å; N366-H368 PolarHBondContact O-CD2 2.94Å; N366-H368 PolarHBondContact O-N 2.94Å; N366-H368 VanDerWaalsContact O-N 3.11Å; N366-H368 PolarHBondContact OD1-NE2 3.29Å; N366-H368 VanDerWaalsContact OD1-NE2 3.1Å
367	N	95.3	Very high	96.6	Very high	67 Å²	67	46.6 Å²	46.6	36%	0.358	25%	0.254	S	S	.	.			trans	-84.1	82.5	175.3	-172.7	-18.9	0	0	0	110.1	A362 V365 T369 L370 A371	A362-N367 PolarHBondContact O-N 3Å; V365-N367 HydrophobicContact CG2-CB 4.03Å; V365-N367 PolarHBondContact O-N 2.73Å; N367-T369 PolarHBondContact O-N 2.86Å; N367-L370 HydrophobicContact CB-CB 4.31Å; N367-L370 VanDerWaalsContact CG-CB 3.46Å; N367-L370 PolarHBondContact O-N 3.4Å; N367-L370 WeakPolarHBondContact OD1-CB 3.34Å; N367-L370 PolarHBondContact OD1-N 3.22Å; N367-L370 VanDerWaalsContact OD1-N 3.1Å; N367-A371 VanDerWaalsContact O-CB 3.26Å; N367-A371 WeakPolarHBondContact O-CB 3.27Å; N367-A371 PolarHBondContact O-N 3.4Å
368	H	95.1	Very high	96.5	Very high	81 Å²	81	45.6 Å²	45.6	38%	0.375	25%	0.249	S	C	.	.	H	α-helix	trans	-59	-41.2	-176.6	-71.7	-88.5	0	0	0	113.5	N366 A371 N372	N366-H368 PolarHBondContact O-CD2 2.94Å; N366-H368 PolarHBondContact O-N 2.94Å; N366-H368 VanDerWaalsContact O-N 3.11Å; N366-H368 PolarHBondContact OD1-NE2 3.29Å; N366-H368 VanDerWaalsContact OD1-NE2 3.1Å; H368-A371 PolarHBondContact O-N 3.25Å; H368-N372 VanDerWaalsContact O-CB 3.28Å; H368-N372 WeakPolarHBondContact O-CB 3.34Å; H368-N372 PolarHBondContact O-N 2.83Å; H368-N372 PolarHBondContact O-ND2 2.92Å
369	T	96.6	Very high	96.4	Very high	101 Å²	101	46.3 Å²	46.3	62%	0.62	25%	0.25	S	S	*	.	H	α-helix	trans	-63.3	-53.1	-178.8	-54.1	0	0	0	0	110.7	N367 A371 N372 D373	N367-T369 PolarHBondContact O-N 2.86Å; T369-A371 VanDerWaalsContact C-N 3.33Å; T369-A371 PolarHBondContact O-N 3.32Å; T369-N372 PolarHBondContact O-N 3.47Å; T369-D373 VanDerWaalsContact O-CG 3.32Å; T369-D373 PolarHBondContact O-N 2.87Å
370	L	97.3	Very high	96.3	Very high	38 Å²	38	51.8 Å²	51.8	20%	0.199	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-41.1	179.2	-177.2	62.4	0	0	0	111.9	L207 A362 N367 D373 M374	L207-L370 HydrophobicContact CD2-CD2 4.49Å; A362-L370 HydrophobicContact CB-CB 4.19Å; A362-L370 HydrophobicContact CB-CD2 3.96Å; A362-L370 HydrophobicContact CB-CG 3.98Å; N367-L370 HydrophobicContact CB-CB 4.31Å; N367-L370 VanDerWaalsContact CG-CB 3.46Å; N367-L370 PolarHBondContact O-N 3.4Å; N367-L370 WeakPolarHBondContact OD1-CB 3.34Å; N367-L370 PolarHBondContact OD1-N 3.22Å; N367-L370 VanDerWaalsContact OD1-N 3.1Å; L370-D373 PolarHBondContact O-N 2.91Å; L370-M374 HydrophobicContact CD1-CE 3.85Å; L370-M374 HydrophobicContact CD1-SD 4.46Å; L370-M374 HydrophobicContact CD2-CE 4.35Å; L370-M374 HydrophobicContact CG-CE 4.05Å; L370-M374 HydrophobicContact CG-SD 4.22Å; L370-M374 WeakPolarHBondContact O-CG 3.49Å; L370-M374 PolarHBondContact O-N 2.96Å
371	A	97.1	Very high	96.2	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.6	-44.8	177.5	0	0	0	0	0	111.2	A362 V363 N367 H368 T369 D373 M374 L375 L404	A362-A371 HydrophobicContact CB-CB 3.92Å; V363-A371 HydrophobicContact CG2-CB 3.87Å; N367-A371 VanDerWaalsContact O-CB 3.26Å; N367-A371 WeakPolarHBondContact O-CB 3.27Å; N367-A371 PolarHBondContact O-N 3.4Å; H368-A371 PolarHBondContact O-N 3.25Å; T369-A371 VanDerWaalsContact C-N 3.33Å; T369-A371 PolarHBondContact O-N 3.32Å; A371-D373 PolarHBondContact O-N 2.97Å; A371-M374 PolarHBondContact O-N 2.88Å; A371-L375 WeakPolarHBondContact O-CB 3.49Å; A371-L375 WeakPolarHBondContact O-CG 3.38Å; A371-L375 PolarHBondContact O-N 2.66Å; A371-L404 HydrophobicContact CB-CD1 3.84Å; A371-L404 HydrophobicContact CB-CD2 4.4Å
372	N	97.3	Very high	96.1	Very high	78 Å²	78	51.7 Å²	51.7	42%	0.417	28%	0.278	S	S	.	.	H	α-helix	trans	-64.1	-40.6	177.4	-74.3	-31.9	0	0	0	112.3	H368 T369 M374 L375 N376	H368-N372 VanDerWaalsContact O-CB 3.28Å; H368-N372 WeakPolarHBondContact O-CB 3.34Å; H368-N372 PolarHBondContact O-N 2.83Å; H368-N372 PolarHBondContact O-ND2 2.92Å; T369-N372 PolarHBondContact O-N 3.47Å; N372-M374 VanDerWaalsContact C-N 3.34Å; N372-M374 PolarHBondContact O-N 3.01Å; N372-L375 PolarHBondContact O-N 3.44Å; N372-N376 WeakPolarHBondContact O-CB 3.44Å; N372-N376 VanDerWaalsContact O-CG 3.25Å; N372-N376 PolarHBondContact O-N 3.18Å; N372-N376 PolarHBondContact O-ND2 3.43Å; N372-N376 VanDerWaalsContact O-ND2 3.1Å
373	D	97	Very high	95.9	Very high	88 Å²	88	53.1 Å²	53.1	47%	0.471	29%	0.288	S	S	.	.	H	α-helix	trans	-60.2	-45.1	174.8	-68.9	-20.7	0	0	0	111	T369 L370 A371 N376 I377	T369-D373 VanDerWaalsContact O-CG 3.32Å; T369-D373 PolarHBondContact O-N 2.87Å; L370-D373 PolarHBondContact O-N 2.91Å; A371-D373 PolarHBondContact O-N 2.97Å; D373-N376 WeakPolarHBondContact O-CB 3.34Å; D373-N376 PolarHBondContact O-N 2.99Å; D373-I377 WeakPolarHBondContact O-CG1 3.36Å; D373-I377 PolarHBondContact O-N 2.89Å; D373-I377 VanDerWaalsContact O-N 3.11Å
374	M	97	Very high	95.7	Very high	11 Å²	11	55.7 Å²	55.7	5%	0.054	30%	0.3	C	S	.	.	H	α-helix	trans	-66.5	-41.7	176.6	-71	178.7	169.5	0	0	112.8	I355 H358 C359 L370 A371 N372 N376 I377 I378	I355-M374 HydrophobicContact CG2-CB 4.44Å; H358-M374 HydrophobicContact CB-CE 3.65Å; H358-M374 HydrophobicContact CB-SD 3.82Å; C359-M374 VanDerWaalsContact CA-SD 3.57Å; C359-M374 HydrophobicContact CB-CB 3.87Å; C359-M374 HydrophobicContact CB-SD 4.21Å; C359-M374 PolarHBondContact N-SD 3.45Å; C359-M374 VanDerWaalsContact N-SD 3.39Å; L370-M374 HydrophobicContact CD1-CE 3.85Å; L370-M374 HydrophobicContact CD1-SD 4.46Å; L370-M374 HydrophobicContact CD2-CE 4.35Å; L370-M374 HydrophobicContact CG-CE 4.05Å; L370-M374 HydrophobicContact CG-SD 4.22Å; L370-M374 WeakPolarHBondContact O-CG 3.49Å; L370-M374 PolarHBondContact O-N 2.96Å; A371-M374 PolarHBondContact O-N 2.88Å; N372-M374 VanDerWaalsContact C-N 3.34Å; N372-M374 PolarHBondContact O-N 3.01Å; M374-N376 VanDerWaalsContact C-N 3.27Å; M374-N376 PolarHBondContact O-N 3.25Å; M374-I377 WeakPolarHBondContact O-CB 3.39Å; M374-I377 PolarHBondContact O-N 3.17Å; M374-I378 WeakPolarHBondContact O-CD1 3.23Å; M374-I378 WeakPolarHBondContact O-CG1 3.41Å; M374-I378 PolarHBondContact O-N 3.21Å
375	L	97.3	Very high	95.5	Very high	2 Å²	2	57 Å²	57	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-59	-41.3	175.2	-71.5	167	0	0	0	111.1	A371 N372 I378 R379 V397 L400 E401 L404	A371-L375 WeakPolarHBondContact O-CB 3.49Å; A371-L375 WeakPolarHBondContact O-CG 3.38Å; A371-L375 PolarHBondContact O-N 2.66Å; N372-L375 PolarHBondContact O-N 3.44Å; L375-I378 PolarHBondContact O-N 3.27Å; L375-R379 WeakPolarHBondContact O-CG 3.49Å; L375-R379 PolarHBondContact O-N 3Å; L375-V397 HydrophobicContact CD2-CB 4.35Å; L375-V397 HydrophobicContact CD2-CG1 3.94Å; L375-V397 HydrophobicContact CD2-CG2 4.31Å; L375-L400 HydrophobicContact CD2-CB 3.96Å; L375-L400 HydrophobicContact CD2-CD1 4.46Å; L375-E401 HydrophobicContact CD1-CG 3.68Å; L375-E401 HydrophobicContact CD2-CG 4.19Å; L375-E401 HydrophobicContact CG-CG 4.45Å; L375-L404 HydrophobicContact CD1-CD1 3.66Å
376	N	96.5	Very high	95.4	Very high	89 Å²	89	52.3 Å²	52.3	48%	0.476	28%	0.279	S	S	.	.	H	α-helix	trans	-62.2	-44	175.8	-73.3	-34.9	0	0	0	112.1	N372 D373 M374 R379 Q380	N372-N376 WeakPolarHBondContact O-CB 3.44Å; N372-N376 VanDerWaalsContact O-CG 3.25Å; N372-N376 PolarHBondContact O-N 3.18Å; N372-N376 PolarHBondContact O-ND2 3.43Å; N372-N376 VanDerWaalsContact O-ND2 3.1Å; D373-N376 WeakPolarHBondContact O-CB 3.34Å; D373-N376 PolarHBondContact O-N 2.99Å; M374-N376 VanDerWaalsContact C-N 3.27Å; M374-N376 PolarHBondContact O-N 3.25Å; N376-R379 PolarHBondContact O-N 3.13Å; N376-Q380 WeakPolarHBondContact O-CG 3.5Å; N376-Q380 PolarHBondContact O-N 2.97Å
377	I	95.8	Very high	95.5	Very high	17 Å²	17	49.7 Å²	49.7	9%	0.087	27%	0.265	C	S	.	.	H	α-helix	trans	-58.8	-50.9	173.9	-64.9	163.1	0	0	0	110.1	T214 I355 D373 M374 R379 Q380 H381	T214-I377 HydrophobicContact CG2-CD1 3.77Å; T214-I377 HydrophobicContact CG2-CG1 3.38Å; T214-I377 WeakPolarHBondContact OG1-CD1 3.38Å; I355-I377 HydrophobicContact CD1-CG2 3.87Å; I355-I377 HydrophobicContact CG2-CG2 4.49Å; D373-I377 WeakPolarHBondContact O-CG1 3.36Å; D373-I377 PolarHBondContact O-N 2.89Å; D373-I377 VanDerWaalsContact O-N 3.11Å; M374-I377 WeakPolarHBondContact O-CB 3.39Å; M374-I377 PolarHBondContact O-N 3.17Å; I377-R379 VanDerWaalsContact C-N 3.29Å; I377-R379 PolarHBondContact O-N 2.84Å; I377-Q380 WeakPolarHBondContact O-CB 3.5Å; I377-Q380 PolarHBondContact O-N 3.31Å; I377-Q380 VanDerWaalsContact O-N 3.13Å; I377-H381 PolarHBondContact O-CD2 2.73Å; I377-H381 PolarHBondContact O-N 2.85Å
378	I	96.5	Very high	95.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.7	-40.3	-177.6	-58.8	157	0	0	0	110.2	L352 I355 L356 C359 M374 L375 Q380 H381 S382 A393 V397	L352-I378 HydrophobicContact CD2-CG2 3.9Å; I355-I378 HydrophobicContact CB-CG1 4.29Å; I355-I378 HydrophobicContact CG2-CD1 3.97Å; I355-I378 HydrophobicContact CG2-CG1 3.57Å; L356-I378 HydrophobicContact CD2-CD1 3.87Å; L356-I378 HydrophobicContact CD2-CG2 4.22Å; L356-I378 HydrophobicContact CG-CD1 4.17Å; L356-I378 HydrophobicContact CG-CG2 4.47Å; C359-I378 HydrophobicContact CB-CD1 3.91Å; M374-I378 WeakPolarHBondContact O-CD1 3.23Å; M374-I378 WeakPolarHBondContact O-CG1 3.41Å; M374-I378 PolarHBondContact O-N 3.21Å; L375-I378 PolarHBondContact O-N 3.27Å; I378-Q380 VanDerWaalsContact C-N 3.3Å; I378-Q380 PolarHBondContact O-N 3.29Å; I378-H381 CarbonylContact O-C 3.58Å; I378-H381 PolarHBondContact O-N 3.23Å; I378-H381 VanDerWaalsContact O-N 3.08Å; I378-S382 VanDerWaalsContact O-CB 3.28Å; I378-S382 WeakPolarHBondContact O-CB 3.25Å; I378-S382 PolarHBondContact O-N 3.39Å; I378-S382 PolarHBondContact O-OG 3.33Å; I378-A393 HydrophobicContact CG2-CB 4.03Å; I378-V397 HydrophobicContact CB-CG2 3.62Å; I378-V397 HydrophobicContact CD1-CG2 4.24Å; I378-V397 HydrophobicContact CG2-CG2 3.18Å
379	R	96.2	Very high	95.6	Very high	51 Å²	51	47.2 Å²	47.2	19%	0.192	26%	0.257	C	S	.	.	H	α-helix	trans	-59.5	-38.2	176.9	-78.4	-167.2	174.5	-73.8	0.7	113	L375 N376 I377 H381 S382 V397 N398 E401	L375-R379 WeakPolarHBondContact O-CG 3.49Å; L375-R379 PolarHBondContact O-N 3Å; N376-R379 PolarHBondContact O-N 3.13Å; I377-R379 VanDerWaalsContact C-N 3.29Å; I377-R379 PolarHBondContact O-N 2.84Å; R379-H381 PolarHBondContact O-N 3.49Å; R379-S382 PolarHBondContact O-OG 3.09Å; R379-V397 HydrophobicContact CG-CG1 3.77Å; R379-N398 PolarHBondContact NH2-OD1 2.9Å; R379-E401 IonicContact CZ-OE1 3.3Å; R379-E401 VanDerWaalsContact CZ-OE1 3.3Å; R379-E401 IonicContact CZ-OE2 3.71Å; R379-E401 IonicContact NE-OE1 2.8Å; R379-E401 PolarHBondContact NE-OE1 3.3Å; R379-E401 IonicContact NE-OE2 3.95Å; R379-E401 IonicContact NH2-OE1 3Å; R379-E401 PolarHBondContact NH2-OE1 3.47Å; R379-E401 IonicContact NH2-OE2 2.68Å; R379-E401 PolarHBondContact NH2-OE2 3.06Å
380	Q	95.9	Very high	95.6	Very high	115 Å²	115	45 Å²	45	54%	0.537	24%	0.239	S	C	.	.	H	α-helix	trans	-64.7	-25.9	177.3	-68.8	173.5	7.3	0	0	113.1	N376 I377 I378	N376-Q380 WeakPolarHBondContact O-CG 3.5Å; N376-Q380 PolarHBondContact O-N 2.97Å; I377-Q380 WeakPolarHBondContact O-CB 3.5Å; I377-Q380 PolarHBondContact O-N 3.31Å; I377-Q380 VanDerWaalsContact O-N 3.13Å; I378-Q380 VanDerWaalsContact C-N 3.3Å; I378-Q380 PolarHBondContact O-N 3.29Å
381	H	95.7	Very high	95.6	Very high	48 Å²	48	43.4 Å²	43.4	22%	0.222	23%	0.231	C	C	.	.	H	α-helix	trans	-110.2	-13.9	-175.9	-69	-87.6	0	0	0	114.2	V350 L352 I377 I378 R379 Q390	V350-H381 WeakPolarHBondContact CG2-CE1 3.48Å; L352-H381 HydrophobicContact CD2-CB 3.81Å; L352-H381 HydrophobicContact CG-CB 4.44Å; I377-H381 PolarHBondContact O-CD2 2.73Å; I377-H381 PolarHBondContact O-N 2.85Å; I378-H381 CarbonylContact O-C 3.58Å; I378-H381 PolarHBondContact O-N 3.23Å; I378-H381 VanDerWaalsContact O-N 3.08Å; R379-H381 PolarHBondContact O-N 3.49Å; H381-Q390 WeakPolarHBondContact O-CG 3.44Å; H381-Q390 PolarHBondContact O-NE2 3.17Å
382	S	95.8	Very high	95.6	Very high	19 Å²	19	44 Å²	44	13%	0.133	23%	0.234	C	C	.	.			trans	-76.1	153.4	172.7	74	0	0	0	0	111.9	I378 R379	I378-S382 VanDerWaalsContact O-CB 3.28Å; I378-S382 WeakPolarHBondContact O-CB 3.25Å; I378-S382 PolarHBondContact O-N 3.39Å; I378-S382 PolarHBondContact O-OG 3.33Å; R379-S382 PolarHBondContact O-OG 3.09Å
383	S	94	Very high	95.7	Very high	35 Å²	35	40.2 Å²	40.2	25%	0.245	21%	0.214	C	C	.	.			trans	-152.7	139.6	178.9	175.5	0	0	0	0	111.3	T385 G386 Q390 R391	S383-T385 VanDerWaalsContact C-N 3.27Å; S383-T385 PolarHBondContact O-N 3.38Å; S383-T385 PolarHBondContact OG-N 3Å; S383-G386 PolarHBondContact OG-N 3.22Å; S383-G386 VanDerWaalsContact OG-N 3.1Å; S383-Q390 PolarHBondContact N-O 3.32Å; S383-Q390 CarbonylContact O-C 3.51Å; S383-R391 WeakPolarHBondContact O-CA 3.34Å; S383-R391 WeakPolarHBondContact O-CG 3.46Å; S383-R391 PolarHBondContact O-N 3.47Å
384	I	91.4	Very high	95.7	Very high	63 Å²	63	37.7 Å²	37.7	32%	0.323	20%	0.199	S	C	.	.	S	Bend	trans	-73.1	-18.1	175.2	56.9	162.2	0	0	0	113.5	R391 F394	I384-R391 PolarHBondContact O-NH1 3.38Å; I384-R391 VanDerWaalsContact O-NH1 3.16Å; I384-F394 HydrophobicContact CG2-CD1 3.81Å; I384-F394 HydrophobicContact CG2-CD2 3.77Å; I384-F394 HydrophobicContact CG2-CE1 3.62Å; I384-F394 HydrophobicContact CG2-CE2 3.56Å; I384-F394 HydrophobicContact CG2-CG 3.89Å; I384-F394 HydrophobicContact CG2-CZ 3.49Å; I384-F394 VanDerWaalsContact CG2-CZ 3.49Å
385	T	90.9	Very high	95.7	Very high	79 Å²	79	37.2 Å²	37.2	49%	0.485	20%	0.197	S	C	.	.	S	Bend	trans	-122.6	7.5	-178.1	50.6	0	0	0	0	112.4	S383	S383-T385 VanDerWaalsContact C-N 3.27Å; S383-T385 PolarHBondContact O-N 3.38Å; S383-T385 PolarHBondContact OG-N 3Å
386	G	93.2	Very high	95.7	Very high	7 Å²	7	37.1 Å²	37.1	7%	0.072	20%	0.196	C	C	.	.	S	Bend	trans	-71.7	-161.3	-179.2	0	0	0	0	0	114	S383 R391 R627	S383-G386 PolarHBondContact OG-N 3.22Å; S383-G386 VanDerWaalsContact OG-N 3.1Å; G386-R391 VanDerWaalsContact O-CD 3.29Å; G386-R391 WeakPolarHBondContact O-CD 3.27Å; G386-R627 WeakPolarHBondContact O-CD 3.14Å; G386-R627 PolarHBondContact O-NE 3.26Å
387	D	94.1	Very high	95.8	Very high	54 Å²	54	32.9 Å²	32.9	29%	0.289	17%	0.174	S	C	.	.			trans	-71.2	177.6	167.8	61.2	37.9	0	0	0	112.4	T389 Q390 R391	D387-T389 VanDerWaalsContact C-N 3.29Å; D387-T389 PolarHBondContact O-N 3.23Å; D387-T389 PolarHBondContact OD1-N 3.15Å; D387-T389 VanDerWaalsContact OD1-N 3.11Å; D387-Q390 PolarHBondContact O-N 3.27Å; D387-Q390 WeakPolarHBondContact OD1-CB 3.48Å; D387-Q390 VanDerWaalsContact OD1-CG 3.23Å; D387-Q390 WeakPolarHBondContact OD1-CG 3.43Å; D387-Q390 PolarHBondContact OD1-N 2.9Å; D387-R391 WeakPolarHBondContact O-CB 3.43Å; D387-R391 VanDerWaalsContact O-CG 3.23Å; D387-R391 WeakPolarHBondContact O-CG 3.29Å; D387-R391 PolarHBondContact O-N 3Å
388	D	95.8	Very high	95.8	Very high	35 Å²	35	32.7 Å²	32.7	19%	0.187	17%	0.173	C	C	.	.	H	α-helix	trans	-51.9	-46	177.5	62.2	-31.4	0	0	0	112.8	R391 L392 F618 D622	D388-R391 PolarHBondContact O-N 3.48Å; D388-L392 WeakPolarHBondContact O-CB 3.38Å; D388-L392 PolarHBondContact O-N 2.96Å; D388-F618 HydrophobicContact CB-CB 4.06Å; D388-D622 HydrophobicContact CB-CB 3.84Å
389	T	96.5	Very high	95.8	Very high	61 Å²	61	32.7 Å²	32.7	37%	0.374	17%	0.173	S	C	.	.	H	α-helix	trans	-67.2	-44.2	-177.3	-58.5	0	0	0	0	111	L352 D387 R391 A393	L352-T389 HydrophobicContact CB-CG2 3.85Å; L352-T389 HydrophobicContact CD1-CG2 3.93Å; D387-T389 VanDerWaalsContact C-N 3.29Å; D387-T389 PolarHBondContact O-N 3.23Å; D387-T389 PolarHBondContact OD1-N 3.15Å; D387-T389 VanDerWaalsContact OD1-N 3.11Å; T389-R391 PolarHBondContact O-N 2.75Å; T389-A393 VanDerWaalsContact O-CB 3.24Å; T389-A393 WeakPolarHBondContact O-CB 3.47Å; T389-A393 PolarHBondContact O-N 3.09Å
390	Q	96.8	Very high	95.9	Very high	54 Å²	54	30.3 Å²	30.3	25%	0.252	16%	0.163	S	C	.	.	H	α-helix	trans	-64.6	-38.3	177.8	-69.9	-176	-52.1	0	0	112.8	L352 H381 S383 D387 F394	L352-Q390 HydrophobicContact CD1-CG 3.98Å; H381-Q390 WeakPolarHBondContact O-CG 3.44Å; H381-Q390 PolarHBondContact O-NE2 3.17Å; S383-Q390 PolarHBondContact N-O 3.32Å; S383-Q390 CarbonylContact O-C 3.51Å; D387-Q390 PolarHBondContact O-N 3.27Å; D387-Q390 WeakPolarHBondContact OD1-CB 3.48Å; D387-Q390 VanDerWaalsContact OD1-CG 3.23Å; D387-Q390 WeakPolarHBondContact OD1-CG 3.43Å; D387-Q390 PolarHBondContact OD1-N 2.9Å; Q390-F394 PolarHBondContact O-N 3.33Å; Q390-F394 VanDerWaalsContact O-N 3.08Å
391	R	96.9	Very high	96	Very high	5 Å²	5	26.8 Å²	26.8	2%	0.019	15%	0.147	C	C	.	.	H	α-helix	trans	-75.1	-38.8	-179.7	-67.9	171.5	75.9	117.4	7	111.9	S383 I384 G386 D387 D388 T389 F394 C395 F618 R627 E636	S383-R391 WeakPolarHBondContact O-CA 3.34Å; S383-R391 WeakPolarHBondContact O-CG 3.46Å; S383-R391 PolarHBondContact O-N 3.47Å; I384-R391 PolarHBondContact O-NH1 3.38Å; I384-R391 VanDerWaalsContact O-NH1 3.16Å; G386-R391 VanDerWaalsContact O-CD 3.29Å; G386-R391 WeakPolarHBondContact O-CD 3.27Å; D387-R391 WeakPolarHBondContact O-CB 3.43Å; D387-R391 VanDerWaalsContact O-CG 3.23Å; D387-R391 WeakPolarHBondContact O-CG 3.29Å; D387-R391 PolarHBondContact O-N 3Å; D388-R391 PolarHBondContact O-N 3.48Å; T389-R391 PolarHBondContact O-N 2.75Å; R391-F394 PolarHBondContact O-N 2.89Å; R391-C395 PolarHBondContact O-N 3.39Å; R391-C395 PolarHBondContact O-SG 3.45Å; R391-C395 VanDerWaalsContact O-SG 3.37Å; R391-F618 HydrophobicContact CB-CD1 3.83Å; R391-F618 HydrophobicContact CB-CE1 3.77Å; R391-R627 PolarHBondContact NH1-O 3.3Å; R391-E636 IonicContact CZ-OE1 3.52Å; R391-E636 IonicContact CZ-OE2 3.29Å; R391-E636 IonicContact NE-OE1 3.6Å; R391-E636 PolarHBondContact NE-OE1 3.21Å; R391-E636 IonicContact NE-OE2 2.8Å; R391-E636 PolarHBondContact NE-OE2 2.94Å; R391-E636 IonicContact NH2-OE1 3.75Å; R391-E636 IonicContact NH2-OE2 3.75Å; R391-E636 PolarHBondContact NH2-OE2 3.25Å
392	L	98.1	Very high	96	Very high	12 Å²	12	24.7 Å²	24.7	6%	0.063	14%	0.138	C	C	.	.	H	α-helix	trans	-63.8	-46.1	171.3	176	61.1	0	0	0	111	D388 F394 C395 L396 M611 F618 L644	D388-L392 WeakPolarHBondContact O-CB 3.38Å; D388-L392 PolarHBondContact O-N 2.96Å; L392-F394 VanDerWaalsContact C-N 3.28Å; L392-F394 PolarHBondContact O-N 3.11Å; L392-C395 WeakPolarHBondContact O-CB 3.22Å; L392-C395 PolarHBondContact O-N 3.03Å; L392-L396 HydrophobicContact CD1-CD1 3.85Å; L392-L396 HydrophobicContact CD1-CD2 4.5Å; L392-L396 HydrophobicContact CD1-CG 3.92Å; L392-L396 HydrophobicContact CD2-CD1 4.24Å; L392-L396 HydrophobicContact CG-CD1 3.7Å; L392-L396 HydrophobicContact CG-CG 4.21Å; L392-L396 WeakPolarHBondContact O-CG 3.44Å; L392-L396 PolarHBondContact O-N 2.99Å; L392-M611 HydrophobicContact CD2-CG 4.41Å; L392-F618 HydrophobicContact CB-CB 4.42Å; L392-F618 HydrophobicContact CB-CD1 4.15Å; L392-F618 HydrophobicContact CB-CD2 4.03Å; L392-F618 HydrophobicContact CB-CE1 4.43Å; L392-F618 HydrophobicContact CB-CE2 4.32Å; L392-F618 HydrophobicContact CB-CG 3.94Å; L392-F618 HydrophobicContact CD1-CD2 3.82Å; L392-F618 HydrophobicContact CD1-CE2 3.71Å; L392-F618 HydrophobicContact CD1-CZ 4.41Å; L392-F618 HydrophobicContact CG-CD2 4.41Å; L392-L644 HydrophobicContact CD1-CD1 4.28Å
393	A	98.1	Very high	96	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57	-42.4	177.5	0	0	0	0	0	111.7	L352 L356 I378 T389 C395 L396 V397	L352-A393 HydrophobicContact CB-CB 4.46Å; L352-A393 HydrophobicContact CD1-CB 4.1Å; L352-A393 HydrophobicContact CD2-CB 4.11Å; L352-A393 HydrophobicContact CG-CB 4.48Å; L356-A393 HydrophobicContact CD1-CB 3.9Å; I378-A393 HydrophobicContact CG2-CB 4.03Å; T389-A393 VanDerWaalsContact O-CB 3.24Å; T389-A393 WeakPolarHBondContact O-CB 3.47Å; T389-A393 PolarHBondContact O-N 3.09Å; A393-C395 VanDerWaalsContact C-N 3.3Å; A393-C395 PolarHBondContact O-N 3.42Å; A393-L396 PolarHBondContact O-N 2.93Å; A393-V397 VanDerWaalsContact O-CG2 3.3Å; A393-V397 WeakPolarHBondContact O-CG2 3.45Å; A393-V397 PolarHBondContact O-N 2.54Å
394	F	97	Very high	96.1	Very high	34 Å²	34	26.2 Å²	26.2	15%	0.149	14%	0.138	C	C	.	.	H	α-helix	trans	-57	-43.4	174.8	180	-90.3	0	0	0	112.1	I384 Q390 R391 L392 N398	I384-F394 HydrophobicContact CG2-CD1 3.81Å; I384-F394 HydrophobicContact CG2-CD2 3.77Å; I384-F394 HydrophobicContact CG2-CE1 3.62Å; I384-F394 HydrophobicContact CG2-CE2 3.56Å; I384-F394 HydrophobicContact CG2-CG 3.89Å; I384-F394 HydrophobicContact CG2-CZ 3.49Å; I384-F394 VanDerWaalsContact CG2-CZ 3.49Å; Q390-F394 PolarHBondContact O-N 3.33Å; Q390-F394 VanDerWaalsContact O-N 3.08Å; R391-F394 PolarHBondContact O-N 2.89Å; L392-F394 VanDerWaalsContact C-N 3.28Å; L392-F394 PolarHBondContact O-N 3.11Å; F394-N398 WeakPolarHBondContact CE1-ND2 3.42Å; F394-N398 PolarHBondContact O-ND2 3.06Å; F394-N398 VanDerWaalsContact O-ND2 3.15Å
395	C	97.3	Very high	96.2	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.014	15%	0.148	C	C	.	.	H	α-helix	trans	-67.7	-45.1	178	-63.2	0	0	0	0	111.9	R391 L392 A393 N398 C399 L641 L644	R391-C395 PolarHBondContact O-N 3.39Å; R391-C395 PolarHBondContact O-SG 3.45Å; R391-C395 VanDerWaalsContact O-SG 3.37Å; L392-C395 WeakPolarHBondContact O-CB 3.22Å; L392-C395 PolarHBondContact O-N 3.03Å; A393-C395 VanDerWaalsContact C-N 3.3Å; A393-C395 PolarHBondContact O-N 3.42Å; C395-N398 PolarHBondContact O-N 3.39Å; C395-C399 PolarHBondContact O-N 3.01Å; C395-C399 PolarHBondContact O-SG 3.01Å; C395-L641 HydrophobicContact CB-CD1 3.97Å; C395-L644 HydrophobicContact CB-CD1 3.87Å
396	L	98.3	Very high	96.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67	-37.3	-177	-70	173.7	0	0	0	112.9	L356 L392 A393 N398 C399 L400 F607 M611 L644 I648	L356-L396 HydrophobicContact CD1-CD1 4Å; L356-L396 HydrophobicContact CD2-CB 3.81Å; L356-L396 HydrophobicContact CD2-CD1 4.36Å; L392-L396 HydrophobicContact CD1-CD1 3.85Å; L392-L396 HydrophobicContact CD1-CD2 4.5Å; L392-L396 HydrophobicContact CD1-CG 3.92Å; L392-L396 HydrophobicContact CD2-CD1 4.24Å; L392-L396 HydrophobicContact CG-CD1 3.7Å; L392-L396 HydrophobicContact CG-CG 4.21Å; L392-L396 WeakPolarHBondContact O-CG 3.44Å; L392-L396 PolarHBondContact O-N 2.99Å; A393-L396 PolarHBondContact O-N 2.93Å; L396-N398 VanDerWaalsContact C-N 3.35Å; L396-N398 PolarHBondContact O-N 3.15Å; L396-C399 WeakPolarHBondContact O-CB 3.3Å; L396-C399 PolarHBondContact O-N 3.05Å; L396-C399 VanDerWaalsContact O-N 3.16Å; L396-L400 WeakPolarHBondContact O-CG 3.2Å; L396-L400 PolarHBondContact O-N 2.79Å; L396-F607 HydrophobicContact CD2-CE2 4.3Å; L396-M611 HydrophobicContact CD1-CB 4.23Å; L396-M611 HydrophobicContact CD1-CG 3.79Å; L396-M611 HydrophobicContact CD1-SD 4.37Å; L396-L644 HydrophobicContact CD2-CD1 4.45Å; L396-L644 HydrophobicContact CD2-CD2 3.91Å; L396-I648 HydrophobicContact CD2-CD1 3.36Å
397	V	97.3	Very high	96.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.7	-47.6	174	165.3	0	0	0	0	111.1	L356 L375 I378 R379 A393 C399 L400 E401	L356-V397 HydrophobicContact CD2-CG2 4.5Å; L375-V397 HydrophobicContact CD2-CB 4.35Å; L375-V397 HydrophobicContact CD2-CG1 3.94Å; L375-V397 HydrophobicContact CD2-CG2 4.31Å; I378-V397 HydrophobicContact CB-CG2 3.62Å; I378-V397 HydrophobicContact CD1-CG2 4.24Å; I378-V397 HydrophobicContact CG2-CG2 3.18Å; R379-V397 HydrophobicContact CG-CG1 3.77Å; A393-V397 VanDerWaalsContact O-CG2 3.3Å; A393-V397 WeakPolarHBondContact O-CG2 3.45Å; A393-V397 PolarHBondContact O-N 2.54Å; V397-C399 PolarHBondContact O-N 3.1Å; V397-L400 PolarHBondContact O-N 3.15Å; V397-E401 PolarHBondContact O-N 3.11Å
398	N	95.7	Very high	96.5	Very high	13 Å²	13	23.9 Å²	23.9	7%	0.07	15%	0.147	C	C	.	.	H	α-helix	trans	-61.6	-35	178.6	-64.4	-31.2	0	0	0	111.6	R379 F394 C395 L396 A402	R379-N398 PolarHBondContact NH2-OD1 2.9Å; F394-N398 WeakPolarHBondContact CE1-ND2 3.42Å; F394-N398 PolarHBondContact O-ND2 3.06Å; F394-N398 VanDerWaalsContact O-ND2 3.15Å; C395-N398 PolarHBondContact O-N 3.39Å; L396-N398 VanDerWaalsContact C-N 3.35Å; L396-N398 PolarHBondContact O-N 3.15Å; N398-A402 VanDerWaalsContact O-CB 3.31Å; N398-A402 WeakPolarHBondContact O-CB 3.4Å; N398-A402 PolarHBondContact O-N 2.9Å
399	C	98.1	Very high	96.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-71.5	-40.1	177.2	-59.1	0	0	0	0	112.4	C395 L396 V397 A402 R403 L645 I648	C395-C399 PolarHBondContact O-N 3.01Å; C395-C399 PolarHBondContact O-SG 3.01Å; L396-C399 WeakPolarHBondContact O-CB 3.3Å; L396-C399 PolarHBondContact O-N 3.05Å; L396-C399 VanDerWaalsContact O-N 3.16Å; V397-C399 PolarHBondContact O-N 3.1Å; C399-A402 PolarHBondContact O-N 3.03Å; C399-R403 PolarHBondContact O-N 2.74Å; C399-L645 PolarHBondContact SG-N 3.29Å; C399-I648 HydrophobicContact CB-CB 3.9Å; C399-I648 HydrophobicContact CB-CD1 3.89Å; C399-I648 HydrophobicContact CB-CG1 4.5Å; C399-I648 HydrophobicContact CB-CG2 3.78Å
400	L	98.2	Very high	96.1	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-68	-40.6	176.8	-73.1	170.8	0	0	0	111.9	L356 C359 A360 V363 L375 L396 V397 R403 L404 F603 F607 I648	L356-L400 HydrophobicContact CD2-CD1 4.31Å; C359-L400 HydrophobicContact CB-CD1 4.25Å; A360-L400 HydrophobicContact CB-CD2 4.18Å; V363-L400 HydrophobicContact CG2-CD2 4.28Å; L375-L400 HydrophobicContact CD2-CB 3.96Å; L375-L400 HydrophobicContact CD2-CD1 4.46Å; L396-L400 WeakPolarHBondContact O-CG 3.2Å; L396-L400 PolarHBondContact O-N 2.79Å; V397-L400 PolarHBondContact O-N 3.15Å; L400-R403 WeakPolarHBondContact O-CB 3.35Å; L400-R403 PolarHBondContact O-N 2.73Å; L400-L404 PolarHBondContact O-N 3.35Å; L400-F603 HydrophobicContact CD2-CZ 3.96Å; L400-F607 HydrophobicContact CD1-CE2 3.91Å; L400-F607 HydrophobicContact CD1-CZ 4.04Å; L400-F607 HydrophobicContact CD2-CD2 4.05Å; L400-F607 HydrophobicContact CD2-CE2 3.73Å; L400-F607 HydrophobicContact CD2-CZ 4.48Å; L400-F607 HydrophobicContact CG-CE2 3.92Å; L400-I648 HydrophobicContact CD2-CG2 4.19Å
401	E	96.4	Very high	96	Very high	42 Å²	42	23.2 Å²	23.2	20%	0.196	14%	0.142	C	C	.	.	H	α-helix	trans	-60.5	-47.2	171.7	-78.8	177.6	-177	0	0	111.6	L375 R379 V397 R403 L404 A405	L375-E401 HydrophobicContact CD1-CG 3.68Å; L375-E401 HydrophobicContact CD2-CG 4.19Å; L375-E401 HydrophobicContact CG-CG 4.45Å; R379-E401 IonicContact CZ-OE1 3.3Å; R379-E401 VanDerWaalsContact CZ-OE1 3.3Å; R379-E401 IonicContact CZ-OE2 3.71Å; R379-E401 IonicContact NE-OE1 2.8Å; R379-E401 PolarHBondContact NE-OE1 3.3Å; R379-E401 IonicContact NE-OE2 3.95Å; R379-E401 IonicContact NH2-OE1 3Å; R379-E401 PolarHBondContact NH2-OE1 3.47Å; R379-E401 IonicContact NH2-OE2 2.68Å; R379-E401 PolarHBondContact NH2-OE2 3.06Å; V397-E401 PolarHBondContact O-N 3.11Å; E401-R403 PolarHBondContact O-N 2.68Å; E401-L404 PolarHBondContact O-N 3.44Å; E401-A405 WeakPolarHBondContact O-CB 3.43Å; E401-A405 PolarHBondContact O-N 3.44Å
402	A	96.6	Very high	95.7	Very high	3 Å²	3	24 Å²	24	3%	0.025	15%	0.146	C	C	.	.	H	α-helix	trans	-59.6	-36	176.9	0	0	0	0	0	112.3	N398 C399 G406 T407 G408 L411 L645 A649	N398-A402 VanDerWaalsContact O-CB 3.31Å; N398-A402 WeakPolarHBondContact O-CB 3.4Å; N398-A402 PolarHBondContact O-N 2.9Å; C399-A402 PolarHBondContact O-N 3.03Å; A402-G406 PolarHBondContact O-N 3.25Å; A402-G406 VanDerWaalsContact O-N 3.11Å; A402-T407 PolarHBondContact O-N 3.47Å; A402-T407 PolarHBondContact O-OG1 3.41Å; A402-G408 PolarHBondContact O-N 3.06Å; A402-L411 HydrophobicContact CB-CD1 3.64Å; A402-L645 HydrophobicContact CB-CD1 3.59Å; A402-A649 HydrophobicContact CB-CB 3.87Å
403	R	96.4	Very high	95.2	Very high	57 Å²	57	27.8 Å²	27.8	22%	0.215	16%	0.159	C	C	.	.	H	α-helix	trans	-66.3	-50.7	174.2	-174.9	-177.3	-178.2	79.5	6.8	111.6	V363 C399 L400 E401 A405 G406 F603 I648 A649 E651	V363-R403 HydrophobicContact CG1-CG 4.19Å; C399-R403 PolarHBondContact O-N 2.74Å; L400-R403 WeakPolarHBondContact O-CB 3.35Å; L400-R403 PolarHBondContact O-N 2.73Å; E401-R403 PolarHBondContact O-N 2.68Å; R403-A405 PolarHBondContact O-N 2.83Å; R403-G406 PolarHBondContact O-N 3.29Å; R403-G406 VanDerWaalsContact O-N 3.07Å; R403-F603 VanDerWaalsContact CZ-CE2 3.48Å; R403-F603 VanDerWaalsContact NE-CE2 3.28Å; R403-F603 VanDerWaalsContact NH1-CD2 3.29Å; R403-I648 WeakPolarHBondContact CD-O 3.37Å; R403-I648 PolarHBondContact NH1-O 3.12Å; R403-A649 HydrophobicContact CB-CB 4.16Å; R403-E651 IonicContact CZ-OE1 3.06Å; R403-E651 IonicContact NH1-OE1 2.66Å; R403-E651 PolarHBondContact NH1-OE1 3.48Å; R403-E651 IonicContact NH2-OE1 3.56Å; R403-E651 PolarHBondContact NH2-OE1 3.3Å
404	L	94.9	Very high	94.6	Very high	30 Å²	30	31.9 Å²	31.9	16%	0.157	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-36.8	178.4	-79.7	172.4	0	0	0	112.5	V363 A371 L375 L400 E401 G406	V363-L404 HydrophobicContact CB-CD2 4.23Å; V363-L404 HydrophobicContact CB-CG 4.49Å; V363-L404 HydrophobicContact CG1-CD2 3.94Å; V363-L404 HydrophobicContact CG1-CG 4.09Å; V363-L404 HydrophobicContact CG2-CD1 3.89Å; V363-L404 HydrophobicContact CG2-CD2 3.85Å; V363-L404 HydrophobicContact CG2-CG 3.75Å; A371-L404 HydrophobicContact CB-CD1 3.84Å; A371-L404 HydrophobicContact CB-CD2 4.4Å; L375-L404 HydrophobicContact CD1-CD1 3.66Å; L400-L404 PolarHBondContact O-N 3.35Å; E401-L404 PolarHBondContact O-N 3.44Å; L404-G406 VanDerWaalsContact C-N 3.32Å
405	A	94.7	Very high	94.1	Very high	66 Å²	66	31.9 Å²	31.9	55%	0.545	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-11	178.6	0	0	0	0	0	113.6	E401 R403 T407	E401-A405 WeakPolarHBondContact O-CB 3.43Å; E401-A405 PolarHBondContact O-N 3.44Å; R403-A405 PolarHBondContact O-N 2.83Å; A405-T407 HydrophobicContact CB-CG2 4.01Å; A405-T407 PolarHBondContact O-N 2.82Å
406	G	94.2	Very high	93.3	Very high	66 Å²	66	34.5 Å²	34.5	68%	0.68	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.1	21.7	-174.3	0	0	0	0	0	114.2	A402 R403 L404	A402-G406 PolarHBondContact O-N 3.25Å; A402-G406 VanDerWaalsContact O-N 3.11Å; R403-G406 PolarHBondContact O-N 3.29Å; R403-G406 VanDerWaalsContact O-N 3.07Å; L404-G406 VanDerWaalsContact C-N 3.32Å
407	T	95.7	Very high	92.2	Very high	21 Å²	21	37.9 Å²	37.9	13%	0.129	22%	0.223	C	C	.	.			trans	-101.4	4	-174.4	56.9	0	0	0	0	113.9	A402 A405 S409 Q410 L411	A402-T407 PolarHBondContact O-N 3.47Å; A402-T407 PolarHBondContact O-OG1 3.41Å; A405-T407 HydrophobicContact CB-CG2 4.01Å; A405-T407 PolarHBondContact O-N 2.82Å; T407-S409 PolarHBondContact O-N 2.95Å; T407-Q410 PolarHBondContact O-N 2.91Å; T407-Q410 VanDerWaalsContact O-N 3.15Å; T407-L411 PolarHBondContact O-N 2.81Å
408	G	94.1	Very high	91	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-49.3	-54	-174.3	0	0	0	0	0	114.5	A402 Q410 L411 Y412 C650	A402-G408 PolarHBondContact O-N 3.06Å; G408-Q410 VanDerWaalsContact C-N 3.32Å; G408-Q410 PolarHBondContact O-N 3.48Å; G408-L411 PolarHBondContact O-N 2.97Å; G408-Y412 VanDerWaalsContact O-CB 3.28Å; G408-Y412 WeakPolarHBondContact O-CB 3.47Å; G408-Y412 PolarHBondContact O-N 2.93Å; G408-C650 VanDerWaalsContact C-SG 3.59Å
409	S	92.4	Very high	89.6	Confident	34 Å²	34	43.8 Å²	43.8	24%	0.238	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-36.1	-177.8	-50.8	0	0	0	0	112.7	T407 R413 E654	T407-S409 PolarHBondContact O-N 2.95Å; S409-R413 WeakPolarHBondContact O-CG 3.41Å; S409-R413 PolarHBondContact O-N 2.79Å; S409-E654 WeakPolarHBondContact OG-CB 3.26Å
410	Q	92.2	Very high	88.1	Confident	86 Å²	86	45.6 Å²	45.6	40%	0.402	27%	0.274	S	S	.	.	H	α-helix	trans	-70.2	-45.3	178.1	-174.5	158.2	30.8	0	0	111.6	T407 G408 Y412 R413 N414	T407-Q410 PolarHBondContact O-N 2.91Å; T407-Q410 VanDerWaalsContact O-N 3.15Å; G408-Q410 VanDerWaalsContact C-N 3.32Å; G408-Q410 PolarHBondContact O-N 3.48Å; Q410-Y412 VanDerWaalsContact C-N 3.31Å; Q410-Y412 PolarHBondContact O-N 3.29Å; Q410-R413 PolarHBondContact O-N 2.98Å; Q410-N414 VanDerWaalsContact O-CG 3.26Å; Q410-N414 PolarHBondContact O-N 2.88Å; Q410-N414 VanDerWaalsContact O-N 3.11Å; Q410-N414 PolarHBondContact O-ND2 3.07Å
411	L	92.8	Very high	87.1	Confident	15 Å²	15	48.5 Å²	48.5	8%	0.079	29%	0.29	C	S	.	.	H	α-helix	trans	-63.7	-38.3	176.3	-70.5	175.3	0	0	0	111.7	L246 V248 A402 T407 G408 N414 L415 L645	L246-L411 HydrophobicContact CB-CD1 4.23Å; L246-L411 HydrophobicContact CB-CD2 4.01Å; V248-L411 HydrophobicContact CG2-CD2 3.93Å; A402-L411 HydrophobicContact CB-CD1 3.64Å; T407-L411 PolarHBondContact O-N 2.81Å; G408-L411 PolarHBondContact O-N 2.97Å; L411-N414 PolarHBondContact O-N 3.1Å; L411-L415 WeakPolarHBondContact O-CB 3.12Å; L411-L415 PolarHBondContact O-N 3.17Å; L411-L645 HydrophobicContact CB-CD2 3.66Å
412	Y	91.1	Very high	86.3	Confident	22 Å²	22	46.5 Å²	46.5	9%	0.086	28%	0.28	C	S	.	.	H	α-helix	trans	-62.5	-48.4	176.5	179.1	-113.7	0	0	0	112.2	G408 Q410 N414 L415 I416 C642 N646 I656	G408-Y412 VanDerWaalsContact O-CB 3.28Å; G408-Y412 WeakPolarHBondContact O-CB 3.47Å; G408-Y412 PolarHBondContact O-N 2.93Å; Q410-Y412 VanDerWaalsContact C-N 3.31Å; Q410-Y412 PolarHBondContact O-N 3.29Å; Y412-N414 VanDerWaalsContact C-N 3.31Å; Y412-N414 PolarHBondContact O-N 3.49Å; Y412-L415 PolarHBondContact O-N 3.13Å; Y412-I416 HydrophobicContact CD1-CD1 3.7Å; Y412-I416 HydrophobicContact CD2-CD1 4.21Å; Y412-I416 HydrophobicContact CD2-CG1 4.36Å; Y412-I416 HydrophobicContact CE1-CD1 3.14Å; Y412-I416 HydrophobicContact CE1-CG1 4.23Å; Y412-I416 HydrophobicContact CE2-CD1 3.72Å; Y412-I416 HydrophobicContact CE2-CG1 3.92Å; Y412-I416 HydrophobicContact CG-CD1 4.2Å; Y412-I416 WeakPolarHBondContact O-CG1 3.27Å; Y412-I416 PolarHBondContact O-N 3.13Å; Y412-I416 WeakPolarHBondContact OH-CD1 3.22Å; Y412-C642 WeakPolarHBondContact CD2-O 3.48Å; Y412-C642 WeakPolarHBondContact CE2-O 3.36Å; Y412-C642 WeakPolarHBondContact CE2-SG 3.48Å; Y412-N646 WeakPolarHBondContact CD1-ND2 3.37Å; Y412-N646 HydrophobicContact CD2-CB 3.73Å; Y412-N646 HydrophobicContact CE1-CB 4.46Å; Y412-N646 VanDerWaalsContact CE1-ND2 3.34Å; Y412-N646 WeakPolarHBondContact CE1-ND2 3.46Å; Y412-N646 HydrophobicContact CE2-CB 3.56Å; Y412-N646 HydrophobicContact CG-CB 4.26Å; Y412-I656 HydrophobicContact CE1-CD1 4Å; Y412-I656 HydrophobicContact CE1-CG1 4.22Å; Y412-I656 WeakPolarHBondContact OH-CD1 3.47Å; Y412-I656 WeakPolarHBondContact OH-CG1 3.29Å
413	R	87.5	Confident	85.6	Confident	91 Å²	91	48.6 Å²	48.6	34%	0.343	30%	0.297	S	S	.	.	H	α-helix	trans	-57	-44.8	175.6	-75.4	-171.7	-68.1	-179.1	-0.5	111.8	E276 S409 Q410 L415 A417	E276-R413 IonicContact OE2-NH1 2.73Å; S409-R413 WeakPolarHBondContact O-CG 3.41Å; S409-R413 PolarHBondContact O-N 2.79Å; Q410-R413 PolarHBondContact O-N 2.98Å; R413-L415 PolarHBondContact O-N 3.01Å; R413-A417 PolarHBondContact O-N 3.28Å
414	N	86.6	Confident	85.1	Confident	87 Å²	87	47.1 Å²	47.1	47%	0.465	30%	0.297	S	S	.	.	H	α-helix	trans	-62.1	-43.4	178	-68.4	-11.8	0	0	0	111.8	Q410 L411 Y412 A417 T418	Q410-N414 VanDerWaalsContact O-CG 3.26Å; Q410-N414 PolarHBondContact O-N 2.88Å; Q410-N414 VanDerWaalsContact O-N 3.11Å; Q410-N414 PolarHBondContact O-ND2 3.07Å; L411-N414 PolarHBondContact O-N 3.1Å; Y412-N414 VanDerWaalsContact C-N 3.31Å; Y412-N414 PolarHBondContact O-N 3.49Å; N414-A417 PolarHBondContact O-N 2.89Å; N414-T418 PolarHBondContact O-N 2.85Å
415	L	84.8	Confident	84.8	Confident	33 Å²	33	47.1 Å²	47.1	17%	0.173	30%	0.297	C	S	.	.	H	α-helix	trans	-69.2	-42.6	-177.3	-168.9	56.8	0	0	0	112.1	L411 Y412 R413 A417 T418 C419 L641 C642	L411-L415 WeakPolarHBondContact O-CB 3.12Å; L411-L415 PolarHBondContact O-N 3.17Å; Y412-L415 PolarHBondContact O-N 3.13Å; R413-L415 PolarHBondContact O-N 3.01Å; L415-A417 VanDerWaalsContact C-N 3.27Å; L415-A417 PolarHBondContact O-N 3.2Å; L415-T418 PolarHBondContact O-N 3.41Å; L415-T418 VanDerWaalsContact O-N 3.08Å; L415-T418 PolarHBondContact O-OG1 2.74Å; L415-C419 PolarHBondContact O-N 2.81Å; L415-C419 VanDerWaalsContact O-N 3.16Å; L415-C419 PolarHBondContact O-SG 3.44Å; L415-C419 VanDerWaalsContact O-SG 3.35Å; L415-L641 HydrophobicContact CD2-CB 4.4Å; L415-L641 HydrophobicContact CD2-CD2 4.4Å; L415-L641 HydrophobicContact CD2-CG 4.14Å; L415-C642 VanDerWaalsContact CD2-CA 3.48Å; L415-C642 HydrophobicContact CD2-CB 3.58Å; L415-C642 HydrophobicContact CG-CB 3.91Å
416	I	81.1	Confident	84.6	Confident	58 Å²	58	44 Å²	44	30%	0.297	27%	0.271	S	S	.	.	H	α-helix	trans	-57.5	-40.8	175.4	-68.3	164.2	0	0	0	112	Y412 T418 C419 S420	Y412-I416 HydrophobicContact CD1-CD1 3.7Å; Y412-I416 HydrophobicContact CD2-CD1 4.21Å; Y412-I416 HydrophobicContact CD2-CG1 4.36Å; Y412-I416 HydrophobicContact CE1-CD1 3.14Å; Y412-I416 HydrophobicContact CE1-CG1 4.23Å; Y412-I416 HydrophobicContact CE2-CD1 3.72Å; Y412-I416 HydrophobicContact CE2-CG1 3.92Å; Y412-I416 HydrophobicContact CG-CD1 4.2Å; Y412-I416 WeakPolarHBondContact O-CG1 3.27Å; Y412-I416 PolarHBondContact O-N 3.13Å; Y412-I416 WeakPolarHBondContact OH-CD1 3.22Å; I416-T418 PolarHBondContact O-N 3.38Å; I416-C419 PolarHBondContact O-N 3.29Å; I416-C419 VanDerWaalsContact O-N 3.09Å; I416-S420 PolarHBondContact O-OG 2.92Å
417	A	75.8	Confident	84.4	Confident	70 Å²	70	46.1 Å²	46.1	58%	0.579	26%	0.262	S	S	*	.	H	α-helix	trans	-59.4	-36.9	179.5	0	0	0	0	0	111.4	R413 N414 L415	R413-A417 PolarHBondContact O-N 3.28Å; N414-A417 PolarHBondContact O-N 2.89Å; L415-A417 VanDerWaalsContact C-N 3.27Å; L415-A417 PolarHBondContact O-N 3.2Å
418	T	70.9	Confident	84.3	Confident	101 Å²	101	45.6 Å²	45.6	62%	0.62	26%	0.259	S	S	*	.	H	α-helix	trans	-74.6	-26.2	176.1	66.8	0	0	0	0	113.8	N414 L415 I416 S420	N414-T418 PolarHBondContact O-N 2.85Å; L415-T418 PolarHBondContact O-N 3.41Å; L415-T418 VanDerWaalsContact O-N 3.08Å; L415-T418 PolarHBondContact O-OG1 2.74Å; I416-T418 PolarHBondContact O-N 3.38Å; T418-S420 PolarHBondContact O-N 3.39Å; T418-S420 VanDerWaalsContact O-N 3.16Å
419	C	66.9	Low	84.2	Confident	36 Å²	36	46.4 Å²	46.4	24%	0.243	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	16.4	179.4	-63.1	0	0	0	0	114.4	L415 I416	L415-C419 PolarHBondContact O-N 2.81Å; L415-C419 VanDerWaalsContact O-N 3.16Å; L415-C419 PolarHBondContact O-SG 3.44Å; L415-C419 VanDerWaalsContact O-SG 3.35Å; I416-C419 PolarHBondContact O-N 3.29Å; I416-C419 VanDerWaalsContact O-N 3.09Å
420	S	67.3	Low	84.2	Confident	38 Å²	38	47 Å²	47	27%	0.266	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	2.3	-173.1	-64.1	0	0	0	0	114.9	I416 T418 V422	I416-S420 PolarHBondContact O-OG 2.92Å; T418-S420 PolarHBondContact O-N 3.39Å; T418-S420 VanDerWaalsContact O-N 3.16Å; S420-V422 PolarHBondContact O-N 2.91Å
421	D	77.2	Confident	84.3	Confident	62 Å²	62	42.9 Å²	42.9	33%	0.332	24%	0.242	S	C	.	.			trans	-72.4	113.5	175.4	176.5	11.7	0	0	0	111.6	A423 A424 I425	D421-A423 VanDerWaalsContact C-N 3.28Å; D421-A423 PolarHBondContact O-N 2.93Å; D421-A423 PolarHBondContact OD1-N 3.47Å; D421-A424 HydrophobicContact CB-CB 4.01Å; D421-A424 PolarHBondContact O-N 3.14Å; D421-A424 WeakPolarHBondContact OD2-CB 3.21Å; D421-I425 VanDerWaalsContact O-CG1 3.24Å; D421-I425 WeakPolarHBondContact O-CG1 3.23Å; D421-I425 PolarHBondContact O-N 3.12Å
422	V	78.6	Confident	84.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59	-38.5	-178.6	-170.4	0	0	0	0	111.8	F287 F296 S420 I425 L426 F469 M507	F287-V422 HydrophobicContact CD1-CG2 4.07Å; F287-V422 HydrophobicContact CD2-CG2 4.35Å; F287-V422 HydrophobicContact CE1-CB 4.06Å; F287-V422 HydrophobicContact CE1-CG2 3.89Å; F287-V422 HydrophobicContact CE2-CB 4.09Å; F287-V422 HydrophobicContact CE2-CG2 4.19Å; F287-V422 HydrophobicContact CG-CG2 4.27Å; F287-V422 HydrophobicContact CZ-CB 3.72Å; F287-V422 HydrophobicContact CZ-CG2 3.95Å; F296-V422 HydrophobicContact CE1-CG1 4.33Å; F296-V422 HydrophobicContact CZ-CG1 3.9Å; S420-V422 PolarHBondContact O-N 2.91Å; V422-I425 PolarHBondContact O-N 2.89Å; V422-L426 WeakPolarHBondContact O-CB 3.35Å; V422-L426 PolarHBondContact O-N 3.16Å; V422-F469 HydrophobicContact CB-CE1 4.42Å; V422-F469 HydrophobicContact CG1-CD1 4.13Å; V422-F469 HydrophobicContact CG1-CE1 4.31Å; V422-F469 HydrophobicContact CG2-CD1 4.47Å; V422-F469 HydrophobicContact CG2-CE1 4.03Å; V422-M507 HydrophobicContact CG2-CE 3.97Å; V422-M507 HydrophobicContact CG2-SD 4.06Å
423	A	83	Confident	84.3	Confident	46 Å²	46	42.4 Å²	42.4	38%	0.38	24%	0.242	S	C	.	.	H	α-helix	trans	-70.8	-43.9	-177	0	0	0	0	0	111.3	D421 I425 L426 K427	D421-A423 VanDerWaalsContact C-N 3.28Å; D421-A423 PolarHBondContact O-N 2.93Å; D421-A423 PolarHBondContact OD1-N 3.47Å; A423-I425 VanDerWaalsContact C-N 3.32Å; A423-I425 PolarHBondContact O-N 3.27Å; A423-L426 PolarHBondContact O-N 2.86Å; A423-K427 PolarHBondContact O-N 3.13Å; A423-K427 VanDerWaalsContact O-N 3.09Å
424	A	85.1	Confident	84.5	Confident	26 Å²	26	38.3 Å²	38.3	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-41.7	171.8	0	0	0	0	0	111.6	D421 L426 K427 V428	D421-A424 HydrophobicContact CB-CB 4.01Å; D421-A424 PolarHBondContact O-N 3.14Å; D421-A424 WeakPolarHBondContact OD2-CB 3.21Å; A424-L426 VanDerWaalsContact C-N 3.35Å; A424-L426 PolarHBondContact O-N 2.8Å; A424-K427 PolarHBondContact O-N 2.91Å; A424-V428 WeakPolarHBondContact O-CG2 3.38Å; A424-V428 PolarHBondContact O-N 3.23Å
425	I	88.3	Confident	84.9	Confident	30 Å²	30	34.4 Å²	34.4	15%	0.154	21%	0.208	C	C	.	.	H	α-helix	trans	-65.1	-37.7	176.6	-66.8	-66	0	0	0	111.8	D421 V422 A423 V428 F429 F469 F471	D421-I425 VanDerWaalsContact O-CG1 3.24Å; D421-I425 WeakPolarHBondContact O-CG1 3.23Å; D421-I425 PolarHBondContact O-N 3.12Å; V422-I425 PolarHBondContact O-N 2.89Å; A423-I425 VanDerWaalsContact C-N 3.32Å; A423-I425 PolarHBondContact O-N 3.27Å; I425-V428 PolarHBondContact O-N 2.87Å; I425-F429 VanDerWaalsContact O-CB 3.31Å; I425-F429 WeakPolarHBondContact O-CB 3.48Å; I425-F429 PolarHBondContact O-N 3.37Å; I425-F469 HydrophobicContact CB-CE2 4.21Å; I425-F469 HydrophobicContact CB-CZ 4.2Å; I425-F469 HydrophobicContact CG1-CE2 4.11Å; I425-F469 HydrophobicContact CG1-CZ 3.95Å; I425-F469 HydrophobicContact CG2-CD2 3.75Å; I425-F469 HydrophobicContact CG2-CE2 3.54Å; I425-F469 HydrophobicContact CG2-CG 4.44Å; I425-F469 HydrophobicContact CG2-CZ 4.02Å; I425-F471 HydrophobicContact CG2-CE2 4.2Å
426	L	90.6	Very high	85.3	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-63.1	-43.3	175.2	-172.6	67.9	0	0	0	111.4	M295 F296 V299 L300 V422 A423 A424 V428 F429 Q430 F471	M295-L426 HydrophobicContact CB-CD2 4.46Å; M295-L426 HydrophobicContact CE-CD2 3.98Å; M295-L426 HydrophobicContact CE-CG 4.18Å; M295-L426 HydrophobicContact CG-CD2 3.89Å; M295-L426 HydrophobicContact SD-CD2 4.07Å; F296-L426 HydrophobicContact CD1-CD1 3.83Å; F296-L426 HydrophobicContact CD1-CD2 3.77Å; F296-L426 HydrophobicContact CD1-CG 4.42Å; F296-L426 HydrophobicContact CD2-CD2 3.91Å; F296-L426 HydrophobicContact CE1-CD1 3.98Å; F296-L426 HydrophobicContact CE1-CD2 3.86Å; F296-L426 HydrophobicContact CE1-CG 4.37Å; F296-L426 HydrophobicContact CE2-CD2 3.99Å; F296-L426 HydrophobicContact CG-CD2 3.8Å; F296-L426 HydrophobicContact CZ-CD2 3.97Å; V299-L426 HydrophobicContact CB-CD1 4.12Å; V299-L426 HydrophobicContact CG1-CD1 3.89Å; L300-L426 HydrophobicContact CD2-CD1 4.36Å; V422-L426 WeakPolarHBondContact O-CB 3.35Å; V422-L426 PolarHBondContact O-N 3.16Å; A423-L426 PolarHBondContact O-N 2.86Å; A424-L426 VanDerWaalsContact C-N 3.35Å; A424-L426 PolarHBondContact O-N 2.8Å; L426-V428 PolarHBondContact O-N 3.09Å; L426-F429 PolarHBondContact O-N 3.06Å; L426-Q430 WeakPolarHBondContact O-CB 3.35Å; L426-Q430 PolarHBondContact O-N 3.32Å; L426-F471 HydrophobicContact CB-CZ 4.48Å; L426-F471 HydrophobicContact CD1-CE1 4.4Å; L426-F471 HydrophobicContact CD1-CE2 3.98Å; L426-F471 HydrophobicContact CD1-CZ 3.83Å
427	K	91.5	Very high	85.8	Confident	109 Å²	109	30.9 Å²	30.9	47%	0.474	19%	0.189	S	C	.	.	H	α-helix	trans	-60.3	-44.5	173.7	-71.4	-179.1	178.4	180	0	111.8	M295 A423 A424 F429 Q430 L431 T631	M295-K427 HydrophobicContact CE-CG 3.7Å; A423-K427 PolarHBondContact O-N 3.13Å; A423-K427 VanDerWaalsContact O-N 3.09Å; A424-K427 PolarHBondContact O-N 2.91Å; K427-F429 VanDerWaalsContact C-N 3.35Å; K427-Q430 WeakPolarHBondContact O-CB 3.29Å; K427-Q430 PolarHBondContact O-N 2.96Å; K427-L431 PolarHBondContact O-N 3.36Å; K427-T631 HydrophobicContact CB-CG2 4.29Å
428	V	91.8	Very high	86.7	Confident	11 Å²	11	27.7 Å²	27.7	7%	0.067	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-43.7	176	167.6	0	0	0	0	111.3	A424 I425 L426 Q430 L431 S432 T631 L634 I635 I639	A424-V428 WeakPolarHBondContact O-CG2 3.38Å; A424-V428 PolarHBondContact O-N 3.23Å; I425-V428 PolarHBondContact O-N 2.87Å; L426-V428 PolarHBondContact O-N 3.09Å; V428-Q430 VanDerWaalsContact C-N 3.34Å; V428-L431 PolarHBondContact O-N 3.42Å; V428-S432 VanDerWaalsContact O-CB 3.27Å; V428-S432 WeakPolarHBondContact O-CB 3.46Å; V428-S432 PolarHBondContact O-N 3.36Å; V428-S432 PolarHBondContact O-OG 3.08Å; V428-T631 HydrophobicContact CG2-CG2 4.09Å; V428-L634 HydrophobicContact CG2-CB 4.1Å; V428-I635 HydrophobicContact CB-CG1 4.41Å; V428-I635 HydrophobicContact CG1-CD1 4.2Å; V428-I635 HydrophobicContact CG1-CG1 3.66Å; V428-I635 HydrophobicContact CG2-CG1 4.12Å; V428-I639 HydrophobicContact CB-CD1 4.41Å; V428-I639 HydrophobicContact CG1-CD1 3.55Å; V428-I639 HydrophobicContact CG2-CD1 4.41Å
429	F	91.7	Very high	87.7	Confident	17 Å²	17	25.3 Å²	25.3	8%	0.075	15%	0.146	C	C	.	.	H	α-helix	trans	-62	-44.1	178	-174.4	-104.9	0	0	0	110.8	V299 L300 I425 L426 K427 S432 L433 L439 H443 F471	V299-F429 HydrophobicContact CG1-CD1 3.87Å; V299-F429 HydrophobicContact CG1-CE1 4.43Å; L300-F429 HydrophobicContact CD2-CD1 4.02Å; L300-F429 HydrophobicContact CD2-CE1 3.63Å; I425-F429 VanDerWaalsContact O-CB 3.31Å; I425-F429 WeakPolarHBondContact O-CB 3.48Å; I425-F429 PolarHBondContact O-N 3.37Å; L426-F429 PolarHBondContact O-N 3.06Å; K427-F429 VanDerWaalsContact C-N 3.35Å; F429-S432 PolarHBondContact O-N 3.5Å; F429-L433 HydrophobicContact CD1-CD1 3.89Å; F429-L433 HydrophobicContact CD1-CG 4.23Å; F429-L433 HydrophobicContact CE1-CD1 3.47Å; F429-L433 VanDerWaalsContact CE1-CD1 3.47Å; F429-L433 HydrophobicContact CE1-CD2 4.34Å; F429-L433 HydrophobicContact CE1-CG 3.97Å; F429-L433 HydrophobicContact CE2-CD2 4.49Å; F429-L433 HydrophobicContact CZ-CD1 4.05Å; F429-L433 HydrophobicContact CZ-CD2 4.07Å; F429-L433 HydrophobicContact CZ-CG 4.17Å; F429-L433 WeakPolarHBondContact O-CG 3.37Å; F429-L433 PolarHBondContact O-N 3.07Å; F429-L439 HydrophobicContact CD2-CD2 4.01Å; F429-L439 HydrophobicContact CE2-CD2 3.6Å; F429-L439 HydrophobicContact CE2-CG 4.39Å; F429-H443 AromaticContact CE2-CE1 4Å; F429-F471 HydrophobicContact CB-CD2 4.1Å; F429-F471 HydrophobicContact CB-CE2 4.15Å; F429-F471 HydrophobicContact CD1-CB 4.43Å; F429-F471 AromaticContact CD1-CD2 3.74Å; F429-F471 HydrophobicContact CD1-CD2 3.74Å; F429-F471 HydrophobicContact CD1-CE2 4.4Å; F429-F471 HydrophobicContact CD1-CG 4.42Å; F429-F471 AromaticContact CD2-CD2 3.94Å; F429-F471 HydrophobicContact CD2-CD2 3.94Å; F429-F471 HydrophobicContact CE1-CB 3.91Å; F429-F471 HydrophobicContact CE1-CD2 4.08Å; F429-F471 HydrophobicContact CE1-CG 4.36Å; F429-F471 HydrophobicContact CE2-CB 4.18Å; F429-F471 HydrophobicContact CE2-CD2 4.27Å; F429-F471 AromaticContact CG-CD2 3.66Å; F429-F471 HydrophobicContact CG-CD2 3.66Å; F429-F471 HydrophobicContact CG-CE2 4.21Å; F429-F471 HydrophobicContact CZ-CB 3.77Å; F429-F471 HydrophobicContact CZ-CD2 4.34Å
430	Q	93.3	Very high	88.9	Confident	46 Å²	46	24 Å²	24	22%	0.215	14%	0.135	C	C	.	.	H	α-helix	trans	-57.9	-51.1	175.8	-173.3	-176.6	-7.3	0	0	112.4	V299 E310 L426 K427 V428 S432 L433 A434	V299-Q430 HydrophobicContact CG1-CB 3.89Å; V299-Q430 HydrophobicContact CG1-CG 4.3Å; V299-Q430 HydrophobicContact CG2-CB 3.93Å; V299-Q430 HydrophobicContact CG2-CG 3.72Å; E310-Q430 WeakPolarHBondContact OE2-CG 3.43Å; E310-Q430 PolarHBondContact OE2-NE2 2.85Å; L426-Q430 WeakPolarHBondContact O-CB 3.35Å; L426-Q430 PolarHBondContact O-N 3.32Å; K427-Q430 WeakPolarHBondContact O-CB 3.29Å; K427-Q430 PolarHBondContact O-N 2.96Å; V428-Q430 VanDerWaalsContact C-N 3.34Å; Q430-S432 VanDerWaalsContact C-N 3.33Å; Q430-S432 PolarHBondContact O-N 3.32Å; Q430-L433 PolarHBondContact O-N 3.27Å; Q430-A434 PolarHBondContact O-N 3.15Å; Q430-A434 VanDerWaalsContact O-N 3.13Å
431	L	94.3	Very high	90.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.2	-40.5	176.3	179.3	61.5	0	0	0	111.3	L314 K427 V428 L433 A434 V435 V625 T631 I635	L314-L431 HydrophobicContact CD1-CD1 3.48Å; L314-L431 VanDerWaalsContact CD1-CD1 3.48Å; K427-L431 PolarHBondContact O-N 3.36Å; V428-L431 PolarHBondContact O-N 3.42Å; L431-L433 PolarHBondContact O-N 3.41Å; L431-A434 WeakPolarHBondContact O-CA 3.44Å; L431-A434 WeakPolarHBondContact O-CB 3.17Å; L431-A434 PolarHBondContact O-N 2.75Å; L431-V435 HydrophobicContact CD1-CG1 4.24Å; L431-V435 HydrophobicContact CD1-CG2 4.35Å; L431-V435 HydrophobicContact CG-CG2 4.38Å; L431-V435 WeakPolarHBondContact O-CG2 3.36Å; L431-V435 PolarHBondContact O-N 3Å; L431-V625 HydrophobicContact CD1-CG1 4.36Å; L431-V625 HydrophobicContact CD1-CG2 4.05Å; L431-V625 HydrophobicContact CD2-CG1 4.32Å; L431-T631 HydrophobicContact CB-CG2 3.83Å; L431-T631 HydrophobicContact CD2-CG2 3.69Å; L431-T631 HydrophobicContact CG-CG2 4.4Å; L431-I635 HydrophobicContact CD2-CD1 3.8Å; L431-I635 HydrophobicContact CG-CD1 4.24Å
432	S	92.5	Very high	91.1	Very high	24 Å²	24	19.2 Å²	19.2	17%	0.168	11%	0.107	C	C	.	.	H	α-helix	trans	-61.9	-43.8	178	-59	0	0	0	0	111.2	V428 F429 Q430 A434 V435 I436	V428-S432 VanDerWaalsContact O-CB 3.27Å; V428-S432 WeakPolarHBondContact O-CB 3.46Å; V428-S432 PolarHBondContact O-N 3.36Å; V428-S432 PolarHBondContact O-OG 3.08Å; F429-S432 PolarHBondContact O-N 3.5Å; Q430-S432 VanDerWaalsContact C-N 3.33Å; Q430-S432 PolarHBondContact O-N 3.32Å; S432-A434 PolarHBondContact O-N 2.82Å; S432-V435 PolarHBondContact O-N 2.85Å; S432-I436 CarbonylContact O-C 3.55Å; S432-I436 VanDerWaalsContact O-C 3.29Å; S432-I436 VanDerWaalsContact O-CA 3.31Å; S432-I436 WeakPolarHBondContact O-CA 3.44Å; S432-I436 PolarHBondContact O-N 2.78Å
433	L	91.4	Very high	91.9	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.016	11%	0.112	C	C	.	.	H	α-helix	trans	-60.7	-32.8	173.4	-70.3	-179	0	0	0	112.3	F302 F429 Q430 L431 R440 Y694	F302-L433 HydrophobicContact CD1-CD1 4.12Å; F302-L433 HydrophobicContact CE1-CD1 3.54Å; F302-L433 HydrophobicContact CZ-CD1 3.8Å; F302-L433 HydrophobicContact CZ-CD2 4.13Å; F429-L433 HydrophobicContact CD1-CD1 3.89Å; F429-L433 HydrophobicContact CD1-CG 4.23Å; F429-L433 HydrophobicContact CE1-CD1 3.47Å; F429-L433 VanDerWaalsContact CE1-CD1 3.47Å; F429-L433 HydrophobicContact CE1-CD2 4.34Å; F429-L433 HydrophobicContact CE1-CG 3.97Å; F429-L433 HydrophobicContact CE2-CD2 4.49Å; F429-L433 HydrophobicContact CZ-CD1 4.05Å; F429-L433 HydrophobicContact CZ-CD2 4.07Å; F429-L433 HydrophobicContact CZ-CG 4.17Å; F429-L433 WeakPolarHBondContact O-CG 3.37Å; F429-L433 PolarHBondContact O-N 3.07Å; Q430-L433 PolarHBondContact O-N 3.27Å; L431-L433 PolarHBondContact O-N 3.41Å; L433-R440 HydrophobicContact CD2-CB 3.68Å; L433-R440 HydrophobicContact CD2-CG 3.99Å; L433-Y694 PolarHBondContact O-OH 3.26Å
434	A	92.9	Very high	92.5	Very high	5 Å²	5	18.7 Å²	18.7	4%	0.041	10%	0.096	C	C	.	.	H	α-helix	trans	-73.7	-35.6	180	0	0	0	0	0	113.2	E310 A311 L314 Q430 L431 S432 Y694	E310-A434 HydrophobicContact CB-CB 4.15Å; E310-A434 HydrophobicContact CG-CB 4.13Å; A311-A434 HydrophobicContact CB-CB 4.03Å; A311-A434 WeakPolarHBondContact CB-O 3.32Å; L314-A434 HydrophobicContact CD1-CB 4.23Å; Q430-A434 PolarHBondContact O-N 3.15Å; Q430-A434 VanDerWaalsContact O-N 3.13Å; L431-A434 WeakPolarHBondContact O-CA 3.44Å; L431-A434 WeakPolarHBondContact O-CB 3.17Å; L431-A434 PolarHBondContact O-N 2.75Å; S432-A434 PolarHBondContact O-N 2.82Å; A434-Y694 VanDerWaalsContact O-CE1 3.24Å; A434-Y694 WeakPolarHBondContact O-CE1 3.49Å
435	V	93.7	Very high	93.1	Very high	6 Å²	6	17.5 Å²	17.5	4%	0.036	9%	0.086	C	C	.	.	H	α-helix	trans	-124.8	-20.4	-169.6	-55.5	0	0	0	0	116.1	L314 L431 S432 L621 V625 Y698	L314-V435 HydrophobicContact CD1-CG1 3.64Å; L431-V435 HydrophobicContact CD1-CG1 4.24Å; L431-V435 HydrophobicContact CD1-CG2 4.35Å; L431-V435 HydrophobicContact CG-CG2 4.38Å; L431-V435 WeakPolarHBondContact O-CG2 3.36Å; L431-V435 PolarHBondContact O-N 3Å; S432-V435 PolarHBondContact O-N 2.85Å; V435-L621 HydrophobicContact CG2-CD2 4.15Å; V435-V625 HydrophobicContact CB-CG2 4.13Å; V435-V625 HydrophobicContact CG1-CG2 3.77Å; V435-V625 HydrophobicContact CG2-CG2 3.75Å; V435-Y698 PolarHBondContact O-OH 3.29Å
436	I	93.2	Very high	93.5	Very high	16 Å²	16	16.1 Å²	16.1	8%	0.082	8%	0.079	C	C	.	.			trans	-119	90.3	179.9	-52.8	176.1	0	0	0	109.2	S432 L438 F617 I620 L621	S432-I436 CarbonylContact O-C 3.55Å; S432-I436 VanDerWaalsContact O-C 3.29Å; S432-I436 VanDerWaalsContact O-CA 3.31Å; S432-I436 WeakPolarHBondContact O-CA 3.44Å; S432-I436 PolarHBondContact O-N 2.78Å; I436-L438 HydrophobicContact CG2-CB 4.28Å; I436-L438 HydrophobicContact CG2-CD1 3.94Å; I436-L438 HydrophobicContact CG2-CG 3.85Å; I436-L438 PolarHBondContact O-N 2.72Å; I436-L438 VanDerWaalsContact O-N 3.08Å; I436-F617 HydrophobicContact CD1-CD1 4.39Å; I436-F617 HydrophobicContact CG2-CE1 4.2Å; I436-I620 HydrophobicContact CG1-CG2 4.04Å; I436-L621 HydrophobicContact CD1-CD2 4.34Å
437	P	92.7	Very high	93.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-69.7	-8.3	-172.6	27.9	-33	0	0	0	114.4	L439 R440 V441 M691 Y694 Y698	P437-L439 PolarHBondContact O-N 3.45Å; P437-R440 PolarHBondContact O-N 2.74Å; P437-V441 HydrophobicContact CB-CG2 4.31Å; P437-V441 WeakPolarHBondContact O-CB 3.04Å; P437-V441 VanDerWaalsContact O-CG2 3.29Å; P437-V441 WeakPolarHBondContact O-CG2 3.43Å; P437-V441 PolarHBondContact O-N 3.1Å; P437-M691 HydrophobicContact CB-CE 4.3Å; P437-M691 HydrophobicContact CB-SD 3.84Å; P437-M691 HydrophobicContact CG-CE 4.02Å; P437-M691 HydrophobicContact CG-SD 3.27Å; P437-M691 WeakPolarHBondContact CG-SD 3.33Å; P437-Y694 HydrophobicContact CB-CD1 3.93Å; P437-Y694 HydrophobicContact CB-CD2 3.78Å; P437-Y694 HydrophobicContact CB-CE1 3.82Å; P437-Y694 HydrophobicContact CB-CE2 3.7Å; P437-Y694 HydrophobicContact CB-CG 3.91Å; P437-Y694 HydrophobicContact CG-CD1 3.89Å; P437-Y694 HydrophobicContact CG-CD2 4.16Å; P437-Y694 HydrophobicContact CG-CE1 4.24Å; P437-Y694 HydrophobicContact CG-CG 3.85Å; P437-Y698 WeakPolarHBondContact CD-OH 3.39Å; P437-Y698 HydrophobicContact CG-CD1 3.96Å; P437-Y698 HydrophobicContact CG-CD2 4.1Å; P437-Y698 HydrophobicContact CG-CE1 3.89Å; P437-Y698 HydrophobicContact CG-CE2 4Å; P437-Y698 HydrophobicContact CG-CG 4.09Å
438	L	94.2	Very high	94.1	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.021	7%	0.066	C	C	.	.	H	α-helix	trans	-57.4	-50.5	-170.8	-49.8	178.5	0	0	0	112.3	I436 S442 F617 M709 L716 N717	I436-L438 HydrophobicContact CG2-CB 4.28Å; I436-L438 HydrophobicContact CG2-CD1 3.94Å; I436-L438 HydrophobicContact CG2-CG 3.85Å; I436-L438 PolarHBondContact O-N 2.72Å; I436-L438 VanDerWaalsContact O-N 3.08Å; L438-S442 WeakPolarHBondContact O-CB 3.28Å; L438-S442 PolarHBondContact O-N 3.31Å; L438-S442 VanDerWaalsContact O-N 3.07Å; L438-S442 PolarHBondContact O-OG 2.85Å; L438-F617 HydrophobicContact CD1-CE1 3.82Å; L438-F617 HydrophobicContact CD1-CZ 3.88Å; L438-M709 HydrophobicContact CD2-CB 3.56Å; L438-L716 HydrophobicContact CD1-CB 3.84Å; L438-L716 HydrophobicContact CD1-CD1 3.93Å; L438-N717 HydrophobicContact CB-CB 4.46Å; L438-N717 WeakPolarHBondContact CD1-OD1 3.28Å
439	L	91.6	Very high	94.4	Very high	51 Å²	51	13.4 Å²	13.4	27%	0.267	7%	0.068	S	C	.	.	H	α-helix	trans	-70.2	-39.3	179.2	-174.5	59.1	0	0	0	111.5	F429 P437 S442 H443 I557	F429-L439 HydrophobicContact CD2-CD2 4.01Å; F429-L439 HydrophobicContact CE2-CD2 3.6Å; F429-L439 HydrophobicContact CE2-CG 4.39Å; P437-L439 PolarHBondContact O-N 3.45Å; L439-S442 PolarHBondContact O-N 2.69Å; L439-H443 WeakPolarHBondContact CD1-NE2 3.42Å; L439-H443 PolarHBondContact O-N 3.31Å; L439-I557 HydrophobicContact CD1-CG2 4.19Å
440	R	92.1	Very high	94.7	Very high	7 Å²	7	12.6 Å²	12.6	3%	0.026	6%	0.064	C	C	.	.	H	α-helix	trans	-61.6	-46.7	178.1	-173.6	-177.5	175.1	159.5	8.5	112	F302 S303 E304 K306 L433 P437 S442 H443 Y444 M690 Y694	F302-R440 HydrophobicContact CE2-CG 4.15Å; F302-R440 HydrophobicContact CZ-CG 4.44Å; S303-R440 PolarHBondContact O-NH2 3.5Å; S303-R440 VanDerWaalsContact O-NH2 3.13Å; E304-R440 PolarHBondContact O-NE 3.2Å; E304-R440 PolarHBondContact O-NH2 3.13Å; K306-R440 PolarHBondContact O-NH1 2.73Å; K306-R440 PolarHBondContact O-NH2 3.39Å; L433-R440 HydrophobicContact CD2-CB 3.68Å; L433-R440 HydrophobicContact CD2-CG 3.99Å; P437-R440 PolarHBondContact O-N 2.74Å; R440-S442 VanDerWaalsContact C-N 3.33Å; R440-H443 PolarHBondContact O-N 3.03Å; R440-Y444 WeakPolarHBondContact O-CB 3.48Å; R440-Y444 PolarHBondContact O-N 3.01Å; R440-M690 HydrophobicContact CG-CE 4.1Å; R440-Y694 WeakPolarHBondContact CD-OH 3.36Å; R440-Y694 PolarHBondContact NH1-OH 2.98Å
441	V	94.8	Very high	94.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65	-39.7	177.5	168.9	0	0	0	0	110.4	P437 Y444 F445 T687 M690 M691 L707 M709	P437-V441 HydrophobicContact CB-CG2 4.31Å; P437-V441 WeakPolarHBondContact O-CB 3.04Å; P437-V441 VanDerWaalsContact O-CG2 3.29Å; P437-V441 WeakPolarHBondContact O-CG2 3.43Å; P437-V441 PolarHBondContact O-N 3.1Å; V441-Y444 PolarHBondContact O-N 2.98Å; V441-F445 VanDerWaalsContact O-CB 3.3Å; V441-F445 WeakPolarHBondContact O-CB 3.3Å; V441-F445 PolarHBondContact O-N 3.44Å; V441-T687 HydrophobicContact CG1-CG2 3.77Å; V441-M690 HydrophobicContact CG2-CE 4.45Å; V441-M691 HydrophobicContact CG2-CE 4.11Å; V441-L707 HydrophobicContact CG1-CD2 4.39Å; V441-M709 HydrophobicContact CB-SD 3.68Å; V441-M709 HydrophobicContact CG1-CG 4.29Å; V441-M709 HydrophobicContact CG1-SD 3.4Å; V441-M709 WeakPolarHBondContact CG1-SD 3.47Å
442	S	95.9	Very high	95	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.4	-46.2	176.3	-59.4	0	0	0	0	112.4	L438 L439 R440 F445 S446	L438-S442 WeakPolarHBondContact O-CB 3.28Å; L438-S442 PolarHBondContact O-N 3.31Å; L438-S442 VanDerWaalsContact O-N 3.07Å; L438-S442 PolarHBondContact O-OG 2.85Å; L439-S442 PolarHBondContact O-N 2.69Å; R440-S442 VanDerWaalsContact C-N 3.33Å; S442-F445 PolarHBondContact O-N 3.07Å; S442-S446 WeakPolarHBondContact O-CB 3.43Å; S442-S446 PolarHBondContact O-N 3.37Å
443	H	95.3	Very high	95.1	Very high	23 Å²	23	15.6 Å²	15.6	11%	0.106	8%	0.081	C	C	.	.	H	α-helix	trans	-61.4	-44.5	174.4	-71	179.6	0	0	0	111.8	F429 L439 R440 S446 N447 Q472	F429-H443 AromaticContact CE2-CE1 4Å; L439-H443 WeakPolarHBondContact CD1-NE2 3.42Å; L439-H443 PolarHBondContact O-N 3.31Å; R440-H443 PolarHBondContact O-N 3.03Å; H443-S446 PolarHBondContact O-N 3.25Å; H443-N447 VanDerWaalsContact O-CB 3.29Å; H443-N447 WeakPolarHBondContact O-CB 3.36Å; H443-N447 PolarHBondContact O-N 3.46Å; H443-N447 PolarHBondContact O-OD1 3.48Å; H443-Q472 HydrophobicContact CB-CG 4.15Å
444	Y	95.6	Very high	95.4	Very high	12 Å²	12	15.5 Å²	15.5	5%	0.047	8%	0.08	C	C	.	.	H	α-helix	trans	-58.6	-51	176.5	173.8	-94.5	0	0	0	111.8	E304 H305 R440 V441 S446 N447 K448 I683 V686 T687 M690	E304-Y444 HydrophobicContact CB-CD2 3.82Å; E304-Y444 HydrophobicContact CB-CE2 4.3Å; E304-Y444 HydrophobicContact CG-CD2 4.33Å; E304-Y444 WeakPolarHBondContact OE2-CD2 3.25Å; E304-Y444 WeakPolarHBondContact OE2-CE2 3.34Å; H305-Y444 AromaticContact CE1-CE2 3.12Å; H305-Y444 WeakPolarHBondContact CE1-CE2 3.49Å; H305-Y444 AromaticContact CE1-CZ 3.5Å; H305-Y444 PolarHBondContact CE1-OH 2.69Å; H305-Y444 AromaticContact ND1-CE2 3.85Å; R440-Y444 WeakPolarHBondContact O-CB 3.48Å; R440-Y444 PolarHBondContact O-N 3.01Å; V441-Y444 PolarHBondContact O-N 2.98Å; Y444-S446 VanDerWaalsContact C-N 3.32Å; Y444-S446 PolarHBondContact O-N 2.91Å; Y444-N447 PolarHBondContact O-N 3.47Å; Y444-K448 HydrophobicContact CD1-CG 4.38Å; Y444-K448 HydrophobicContact CD2-CG 4.04Å; Y444-K448 HydrophobicContact CE1-CG 3.89Å; Y444-K448 HydrophobicContact CE2-CD 4Å; Y444-K448 HydrophobicContact CE2-CG 3.47Å; Y444-K448 VanDerWaalsContact CE2-CG 3.47Å; Y444-K448 HydrophobicContact CG-CG 4.46Å; Y444-K448 WeakPolarHBondContact O-CB 3.1Å; Y444-K448 WeakPolarHBondContact O-CG 3.49Å; Y444-K448 PolarHBondContact O-N 3.46Å; Y444-I683 HydrophobicContact CD1-CG2 4.39Å; Y444-I683 HydrophobicContact CE1-CG2 4Å; Y444-V686 HydrophobicContact CE1-CB 4.09Å; Y444-V686 HydrophobicContact CE1-CG1 4Å; Y444-V686 HydrophobicContact CE2-CG1 4.31Å; Y444-V686 WeakPolarHBondContact OH-CB 3.23Å; Y444-V686 WeakPolarHBondContact OH-CG1 3.27Å; Y444-T687 HydrophobicContact CD1-CG2 3.46Å; Y444-T687 VanDerWaalsContact CD1-CG2 3.46Å; Y444-T687 HydrophobicContact CE1-CG2 3.81Å; Y444-M690 HydrophobicContact CD1-SD 4.09Å; Y444-M690 HydrophobicContact CD2-SD 3.96Å; Y444-M690 HydrophobicContact CE1-SD 4.41Å; Y444-M690 HydrophobicContact CE2-SD 4.32Å; Y444-M690 HydrophobicContact CG-CE 4.25Å; Y444-M690 HydrophobicContact CG-SD 3.83Å
445	F	97.4	Very high	95.4	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.009	11%	0.108	C	C	.	.	H	α-helix	trans	-57	-47.3	179.5	178	-83.6	0	0	0	111.1	V441 S442 T449 V590 L679 I683 L707 I719 T721	V441-F445 VanDerWaalsContact O-CB 3.3Å; V441-F445 WeakPolarHBondContact O-CB 3.3Å; V441-F445 PolarHBondContact O-N 3.44Å; S442-F445 PolarHBondContact O-N 3.07Å; F445-T449 WeakPolarHBondContact O-CB 3.09Å; F445-T449 PolarHBondContact O-N 2.98Å; F445-T449 PolarHBondContact O-OG1 3.22Å; F445-V590 HydrophobicContact CD1-CG1 4.3Å; F445-V590 HydrophobicContact CE1-CG1 4.4Å; F445-L679 HydrophobicContact CE2-CD2 3.78Å; F445-L679 HydrophobicContact CZ-CD2 3.79Å; F445-I683 HydrophobicContact CB-CG2 4.32Å; F445-I683 HydrophobicContact CD2-CG2 3.56Å; F445-I683 HydrophobicContact CE2-CG2 4.18Å; F445-I683 HydrophobicContact CG-CG2 4.2Å; F445-L707 HydrophobicContact CD2-CD2 3.85Å; F445-L707 HydrophobicContact CE2-CD2 4.34Å; F445-I719 HydrophobicContact CB-CD1 4.17Å; F445-I719 HydrophobicContact CB-CG2 4.48Å; F445-I719 HydrophobicContact CD1-CD1 3.48Å; F445-I719 VanDerWaalsContact CD1-CD1 3.48Å; F445-I719 HydrophobicContact CD1-CG1 3.67Å; F445-I719 HydrophobicContact CD1-CG2 4.08Å; F445-I719 HydrophobicContact CD2-CG2 4.35Å; F445-I719 HydrophobicContact CE1-CD1 4.22Å; F445-I719 HydrophobicContact CE1-CG1 3.92Å; F445-I719 HydrophobicContact CE1-CG2 4.41Å; F445-I719 HydrophobicContact CG-CD1 4.1Å; F445-I719 HydrophobicContact CG-CG1 4.43Å; F445-I719 HydrophobicContact CG-CG2 4.04Å; F445-T721 HydrophobicContact CE1-CG2 3.77Å; F445-T721 HydrophobicContact CZ-CG2 4.2Å
446	S	97.9	Very high	95.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-53.5	176.4	-176.8	0	0	0	0	111.7	S442 H443 Y444 K448 T449 I450 Q472 N555	S442-S446 WeakPolarHBondContact O-CB 3.43Å; S442-S446 PolarHBondContact O-N 3.37Å; H443-S446 PolarHBondContact O-N 3.25Å; Y444-S446 VanDerWaalsContact C-N 3.32Å; Y444-S446 PolarHBondContact O-N 2.91Å; S446-K448 VanDerWaalsContact C-N 3.34Å; S446-K448 PolarHBondContact O-N 3.33Å; S446-T449 WeakPolarHBondContact O-CB 3.4Å; S446-T449 PolarHBondContact O-N 2.89Å; S446-I450 VanDerWaalsContact O-CG1 3.28Å; S446-I450 WeakPolarHBondContact O-CG1 3.26Å; S446-I450 PolarHBondContact O-N 3.41Å; S446-Q472 VanDerWaalsContact CB-NE2 3.3Å; S446-Q472 PolarHBondContact OG-NE2 3.33Å; S446-N555 PolarHBondContact OG-OD1 3.09Å
447	N	97.3	Very high	95.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.9	-41	-175.3	-71.5	0.4	0	0	0	111.7	H443 Y444 I450 L451 Q472 S475 L476	H443-N447 VanDerWaalsContact O-CB 3.29Å; H443-N447 WeakPolarHBondContact O-CB 3.36Å; H443-N447 PolarHBondContact O-N 3.46Å; H443-N447 PolarHBondContact O-OD1 3.48Å; Y444-N447 PolarHBondContact O-N 3.47Å; N447-I450 PolarHBondContact O-N 3.48Å; N447-L451 WeakPolarHBondContact O-CB 3.31Å; N447-L451 VanDerWaalsContact O-CG 3.26Å; N447-L451 WeakPolarHBondContact O-CG 3.25Å; N447-L451 PolarHBondContact O-N 2.9Å; N447-Q472 PolarHBondContact ND2-O 2.94Å; N447-Q472 WeakPolarHBondContact OD1-CG 3.4Å; N447-Q472 PolarHBondContact OD1-NE2 2.72Å; N447-S475 PolarHBondContact ND2-OG 3.36Å; N447-S475 VanDerWaalsContact ND2-OG 3.07Å; N447-L476 HydrophobicContact CB-CD1 4.14Å
448	K	97.1	Very high	95.6	Very high	50 Å²	50	34.4 Å²	34.4	22%	0.217	20%	0.196	C	C	.	.	H	α-helix	trans	-68.4	-38.2	175.7	-68.5	-52.5	-177.2	-172.3	0	113.3	E304 Y444 S446 I450 L451 D452 I683	E304-K448 WeakPolarHBondContact OE2-CE 3.36Å; E304-K448 IonicContact OE2-NZ 3.53Å; Y444-K448 HydrophobicContact CD1-CG 4.38Å; Y444-K448 HydrophobicContact CD2-CG 4.04Å; Y444-K448 HydrophobicContact CE1-CG 3.89Å; Y444-K448 HydrophobicContact CE2-CD 4Å; Y444-K448 HydrophobicContact CE2-CG 3.47Å; Y444-K448 VanDerWaalsContact CE2-CG 3.47Å; Y444-K448 HydrophobicContact CG-CG 4.46Å; Y444-K448 WeakPolarHBondContact O-CB 3.1Å; Y444-K448 WeakPolarHBondContact O-CG 3.49Å; Y444-K448 PolarHBondContact O-N 3.46Å; S446-K448 VanDerWaalsContact C-N 3.34Å; S446-K448 PolarHBondContact O-N 3.33Å; K448-I450 VanDerWaalsContact C-N 3.31Å; K448-I450 PolarHBondContact O-N 3.24Å; K448-L451 HydrophobicContact CD-CD1 4.06Å; K448-L451 PolarHBondContact O-N 3.49Å; K448-D452 WeakPolarHBondContact O-CB 3.43Å; K448-D452 PolarHBondContact O-N 3.26Å; K448-I683 HydrophobicContact CB-CD1 3.62Å; K448-I683 HydrophobicContact CB-CG1 3.85Å; K448-I683 HydrophobicContact CB-CG2 4.5Å
449	T	98.2	Very high	95.8	Very high	15 Å²	15	37.2 Å²	37.2	9%	0.092	21%	0.208	C	C	.	.	H	α-helix	trans	-59.7	-45.7	173.1	-59.4	0	0	0	0	110.5	F445 S446 D452 V453 V588 V590 T721	F445-T449 WeakPolarHBondContact O-CB 3.09Å; F445-T449 PolarHBondContact O-N 2.98Å; F445-T449 PolarHBondContact O-OG1 3.22Å; S446-T449 WeakPolarHBondContact O-CB 3.4Å; S446-T449 PolarHBondContact O-N 2.89Å; T449-D452 PolarHBondContact O-N 3.43Å; T449-V453 WeakPolarHBondContact O-CG2 3.4Å; T449-V453 PolarHBondContact O-N 2.92Å; T449-V453 VanDerWaalsContact O-N 3.11Å; T449-V588 HydrophobicContact CG2-CG1 4.38Å; T449-V588 HydrophobicContact CG2-CG2 4.08Å; T449-V590 HydrophobicContact CG2-CG2 4.41Å; T449-T721 HydrophobicContact CG2-CG2 3.77Å
450	I	98	Very high	96.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.2	-47.7	177.9	-66	169.7	0	0	0	110.7	S446 N447 K448 D452 V453 L454 W473 L476 I553	S446-I450 VanDerWaalsContact O-CG1 3.28Å; S446-I450 WeakPolarHBondContact O-CG1 3.26Å; S446-I450 PolarHBondContact O-N 3.41Å; N447-I450 PolarHBondContact O-N 3.48Å; K448-I450 VanDerWaalsContact C-N 3.31Å; K448-I450 PolarHBondContact O-N 3.24Å; I450-D452 VanDerWaalsContact C-N 3.27Å; I450-D452 PolarHBondContact O-N 3.19Å; I450-V453 PolarHBondContact O-N 3.43Å; I450-L454 HydrophobicContact CG2-CD1 3.62Å; I450-L454 HydrophobicContact CG2-CG 4.18Å; I450-L454 WeakPolarHBondContact O-CB 3.29Å; I450-L454 VanDerWaalsContact O-CG 3.24Å; I450-L454 WeakPolarHBondContact O-CG 3.36Å; I450-L454 PolarHBondContact O-N 3.45Å; I450-W473 HydrophobicContact CD1-CH2 4.16Å; I450-W473 HydrophobicContact CD1-CZ3 3.9Å; I450-L476 HydrophobicContact CD1-CD2 4.28Å; I450-L476 HydrophobicContact CG2-CD1 4.42Å; I450-L476 HydrophobicContact CG2-CD2 4.11Å; I450-I553 HydrophobicContact CD1-CG2 3.89Å; I450-I553 HydrophobicContact CG1-CG2 3.76Å; I450-I553 HydrophobicContact CG2-CG1 4.5Å
451	L	96.5	Very high	96.4	Very high	33 Å²	33	34.5 Å²	34.5	17%	0.173	19%	0.194	C	C	.	.	H	α-helix	trans	-59.1	-38	178.5	-74.3	164.7	0	0	0	112.7	N447 K448 L454 K455 L476 Q479 L480	N447-L451 WeakPolarHBondContact O-CB 3.31Å; N447-L451 VanDerWaalsContact O-CG 3.26Å; N447-L451 WeakPolarHBondContact O-CG 3.25Å; N447-L451 PolarHBondContact O-N 2.9Å; K448-L451 HydrophobicContact CD-CD1 4.06Å; K448-L451 PolarHBondContact O-N 3.49Å; L451-L454 PolarHBondContact O-N 3.08Å; L451-K455 PolarHBondContact O-N 3.01Å; L451-L476 HydrophobicContact CD1-CD1 4.21Å; L451-L476 HydrophobicContact CD2-CD1 4.05Å; L451-L476 HydrophobicContact CG-CD1 3.79Å; L451-Q479 HydrophobicContact CD1-CB 3.89Å; L451-Q479 HydrophobicContact CD1-CG 4.38Å; L451-Q479 HydrophobicContact CD2-CB 4.2Å; L451-L480 HydrophobicContact CD2-CD2 3.59Å; L451-L480 HydrophobicContact CD2-CG 4.05Å
452	D	96.1	Very high	96.6	Very high	64 Å²	64	34.5 Å²	34.5	34%	0.342	19%	0.194	S	C	.	.	H	α-helix	trans	-64.8	-46	176.9	-167.6	44.4	0	0	0	111.7	K448 T449 I450 L454 K455	K448-D452 WeakPolarHBondContact O-CB 3.43Å; K448-D452 PolarHBondContact O-N 3.26Å; T449-D452 PolarHBondContact O-N 3.43Å; I450-D452 VanDerWaalsContact C-N 3.27Å; I450-D452 PolarHBondContact O-N 3.19Å; D452-L454 PolarHBondContact O-N 2.63Å; D452-K455 WeakPolarHBondContact O-CG 3.24Å; D452-K455 PolarHBondContact O-N 3.01Å; D452-K455 WeakPolarHBondContact OD1-CE 3.5Å; D452-K455 IonicContact OD1-NZ 2.9Å; D452-K455 PolarHBondContact OD1-NZ 3.32Å
453	V	96.2	Very high	96.8	Very high	36 Å²	36	34.5 Å²	34.5	22%	0.218	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-28.6	177.4	173	0	0	0	0	112.4	T449 I450 V551 I553 K587 V588	T449-V453 WeakPolarHBondContact O-CG2 3.4Å; T449-V453 PolarHBondContact O-N 2.92Å; T449-V453 VanDerWaalsContact O-N 3.11Å; I450-V453 PolarHBondContact O-N 3.43Å; V453-V551 HydrophobicContact CG1-CG1 3.79Å; V453-I553 HydrophobicContact CB-CD1 4.43Å; V453-I553 HydrophobicContact CG1-CD1 3.9Å; V453-K587 HydrophobicContact CG1-CB 4.33Å; V453-K587 HydrophobicContact CG1-CG 3.56Å; V453-V588 HydrophobicContact CG2-CB 4.47Å; V453-V588 HydrophobicContact CG2-CG1 4.44Å
454	L	96.3	Very high	96.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	5.7	-177.7	-65.8	-179.6	0	0	0	115.1	I450 L451 D452 G456 K457 V460 L480 R483 V551	I450-L454 HydrophobicContact CG2-CD1 3.62Å; I450-L454 HydrophobicContact CG2-CG 4.18Å; I450-L454 WeakPolarHBondContact O-CB 3.29Å; I450-L454 VanDerWaalsContact O-CG 3.24Å; I450-L454 WeakPolarHBondContact O-CG 3.36Å; I450-L454 PolarHBondContact O-N 3.45Å; L451-L454 PolarHBondContact O-N 3.08Å; D452-L454 PolarHBondContact O-N 2.63Å; L454-G456 PolarHBondContact O-N 2.69Å; L454-G456 VanDerWaalsContact O-N 3.15Å; L454-K457 HydrophobicContact CD2-CB 4.32Å; L454-K457 PolarHBondContact O-N 3.4Å; L454-K457 VanDerWaalsContact O-N 3.08Å; L454-V460 HydrophobicContact CD1-CB 3.95Å; L454-V460 HydrophobicContact CD1-CG1 4Å; L454-V460 HydrophobicContact CD1-CG2 3.88Å; L454-V460 HydrophobicContact CD2-CB 3.62Å; L454-V460 HydrophobicContact CD2-CG2 3.66Å; L454-V460 HydrophobicContact CG-CB 4.43Å; L454-V460 HydrophobicContact CG-CG2 4.31Å; L454-L480 HydrophobicContact CD1-CD2 3.94Å; L454-R483 PolarHBondContact O-NH1 3.19Å; L454-V551 HydrophobicContact CD2-CB 3.85Å; L454-V551 HydrophobicContact CD2-CG1 3.88Å; L454-V551 HydrophobicContact CD2-CG2 4.29Å
455	K	94	Very high	97	Very high	145 Å²	145	33.2 Å²	33.2	63%	0.63	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	120.5	175.2	-74.1	172.5	176.3	168.4	0	110.9	L451 D452 K457	L451-K455 PolarHBondContact O-N 3.01Å; D452-K455 WeakPolarHBondContact O-CG 3.24Å; D452-K455 PolarHBondContact O-N 3.01Å; D452-K455 WeakPolarHBondContact OD1-CE 3.5Å; D452-K455 IonicContact OD1-NZ 2.9Å; D452-K455 PolarHBondContact OD1-NZ 3.32Å; K455-K457 VanDerWaalsContact C-N 3.26Å; K455-K457 PolarHBondContact O-N 3.45Å
456	G	91.8	Very high	96.9	Very high	84 Å²	84	33.5 Å²	33.5	87%	0.866	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	9	-179.8	0	0	0	0	0	115.8	L454	L454-G456 PolarHBondContact O-N 2.69Å; L454-G456 VanDerWaalsContact O-N 3.15Å
457	K	95.7	Very high	96.8	Very high	105 Å²	105	33.9 Å²	33.9	46%	0.457	19%	0.194	S	C	.	.			trans	-97.4	138.6	-178	-56.7	-64.5	-176.9	-179.8	0	111.5	L454 K455 R483 V551	L454-K457 HydrophobicContact CD2-CB 4.32Å; L454-K457 PolarHBondContact O-N 3.4Å; L454-K457 VanDerWaalsContact O-N 3.08Å; K455-K457 VanDerWaalsContact C-N 3.26Å; K455-K457 PolarHBondContact O-N 3.45Å; K457-R483 VanDerWaalsContact O-CZ 3.24Å; K457-R483 PolarHBondContact O-NH1 3.02Å; K457-R483 PolarHBondContact O-NH2 2.89Å; K457-V551 HydrophobicContact CB-CG2 3.96Å; K457-V551 HydrophobicContact CD-CG2 3.95Å; K457-V551 HydrophobicContact CG-CG2 3.81Å
458	S	95.9	Very high	96.5	Very high	90 Å²	90	35.6 Å²	35.6	63%	0.629	21%	0.206	S	C	*	.	S	Bend	trans	-94.5	-20.5	-175.3	54.3	0	0	0	0	114.4	P488 K489	S458-P488 CarbonylContact O-C 3.5Å; S458-P488 WeakPolarHBondContact O-CA 3.2Å; S458-P488 VanDerWaalsContact O-CB 3.26Å; S458-P488 WeakPolarHBondContact O-CB 3Å; S458-K489 PolarHBondContact O-N 2.93Å
459	K	97.9	Very high	96.2	Very high	63 Å²	63	34.1 Å²	34.1	27%	0.274	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	144.6	180	-53.4	178.4	-175.5	170.7	0	111.3	K489 D549 D550 V551	K459-K489 WeakPolarHBondContact CA-O 3.28Å; K459-K489 HydrophobicContact CG-CB 4.4Å; K459-D549 HydrophobicContact CD-CB 4.25Å; K459-D549 IonicContact NZ-OD2 3.29Å; K459-D549 PolarHBondContact NZ-OD2 2.81Å; K459-D550 WeakPolarHBondContact CB-OD1 3.29Å; K459-D550 WeakPolarHBondContact CD-OD1 3.37Å; K459-V551 PolarHBondContact O-N 2.95Å
460	V	98.4	Very high	96	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	139.5	175.1	59.3	0	0	0	0	110.6	L454 I462 P488 K489 V490 R491 V551 I553	L454-V460 HydrophobicContact CD1-CB 3.95Å; L454-V460 HydrophobicContact CD1-CG1 4Å; L454-V460 HydrophobicContact CD1-CG2 3.88Å; L454-V460 HydrophobicContact CD2-CB 3.62Å; L454-V460 HydrophobicContact CD2-CG2 3.66Å; L454-V460 HydrophobicContact CG-CB 4.43Å; L454-V460 HydrophobicContact CG-CG2 4.31Å; V460-I462 HydrophobicContact CG2-CD1 4.46Å; V460-I462 HydrophobicContact CG2-CG1 3.82Å; V460-P488 HydrophobicContact CG1-CG 4.33Å; V460-K489 PolarHBondContact N-O 3Å; V460-V490 HydrophobicContact CG1-CB 4.19Å; V460-V490 HydrophobicContact CG1-CG1 4.25Å; V460-V490 HydrophobicContact CG1-CG2 3.83Å; V460-R491 PolarHBondContact O-N 3.15Å; V460-V551 WeakPolarHBondContact CG2-O 3.45Å; V460-I553 HydrophobicContact CG2-CG1 3.91Å
461	H	98.8	Very high	95.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	118.9	168.3	-175.9	-163.5	0	0	0	109.8	R491 T493 L544 D550 V551 L552 I553	H461-R491 CarbonylContact C-O 3.08Å; H461-R491 WeakPolarHBondContact CA-O 3.42Å; H461-R491 HydrophobicContact CB-CB 4.48Å; H461-R491 PolarHBondContact CE1-NH1 3.46Å; H461-R491 PolarHBondContact ND1-NH2 2.99Å; H461-T493 PolarHBondContact NE2-OG1 3.11Å; H461-L544 PolarHBondContact CE1-O 3.25Å; H461-L544 VanDerWaalsContact CE1-O 3.25Å; H461-D550 HydrophobicContact CB-CB 3.81Å; H461-V551 PolarHBondContact N-O 3.48Å; H461-L552 HydrophobicContact CB-CD1 4.1Å; H461-L552 WeakPolarHBondContact O-CA 3.35Å; H461-I553 PolarHBondContact O-N 3.38Å
462	I	98.8	Very high	95.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.3	178.6	-52.7	177.3	0	0	0	108.7	V460 W473 L476 R491 I492 T493 I553	V460-I462 HydrophobicContact CG2-CD1 4.46Å; V460-I462 HydrophobicContact CG2-CG1 3.82Å; I462-W473 HydrophobicContact CD1-CE3 4.27Å; I462-W473 HydrophobicContact CD1-CH2 4.45Å; I462-W473 HydrophobicContact CD1-CZ3 3.86Å; I462-W473 HydrophobicContact CG2-CH2 3.5Å; I462-W473 HydrophobicContact CG2-CZ2 3.91Å; I462-W473 HydrophobicContact CG2-CZ3 3.99Å; I462-L476 HydrophobicContact CD1-CD2 3.84Å; I462-R491 PolarHBondContact N-O 3.34Å; I462-I492 HydrophobicContact CB-CG1 4.26Å; I462-I492 HydrophobicContact CD1-CG1 4.5Å; I462-I492 CarbonylContact O-C 3.49Å; I462-I492 WeakPolarHBondContact O-CA 3.23Å; I462-T493 PolarHBondContact O-N 3.26Å; I462-I553 CarbonylContact C-O 3.57Å; I462-I553 WeakPolarHBondContact CA-O 3.45Å; I462-I553 HydrophobicContact CG1-CB 4.28Å; I462-I553 HydrophobicContact CG2-CG2 4.48Å
463	V	98.8	Very high	95.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111.1	170.8	180	0	0	0	0	108.1	F465 I495 L544 L552 I553 V554 N555	V463-F465 HydrophobicContact CG1-CD2 4.23Å; V463-F465 HydrophobicContact CG1-CE2 3.89Å; V463-I495 HydrophobicContact CG1-CD1 3.53Å; V463-I495 HydrophobicContact CG1-CG1 4.47Å; V463-L544 HydrophobicContact CG1-CD2 4.13Å; V463-L552 HydrophobicContact CG2-CD1 3.97Å; V463-I553 PolarHBondContact N-O 3.32Å; V463-V554 HydrophobicContact CB-CG2 4.3Å; V463-V554 CarbonylContact O-C 3.56Å; V463-V554 WeakPolarHBondContact O-CA 2.97Å; V463-N555 PolarHBondContact O-N 2.96Å
464	D	98.7	Very high	95.9	Very high	8 Å²	8	28.4 Å²	28.4	4%	0.043	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	105.8	-176	-172.7	14.8	0	0	0	111.3	G466 I467 W473 T493 I495 N555	D464-G466 PolarHBondContact O-N 2.89Å; D464-I467 HydrophobicContact CB-CB 4.18Å; D464-I467 HydrophobicContact CB-CD1 4.43Å; D464-I467 HydrophobicContact CB-CG1 4.42Å; D464-I467 WeakPolarHBondContact OD2-CA 3.41Å; D464-I467 WeakPolarHBondContact OD2-CB 3.28Å; D464-I467 VanDerWaalsContact OD2-CG1 3.32Å; D464-I467 WeakPolarHBondContact OD2-CG1 3.49Å; D464-W473 HydrophobicContact CB-CZ2 3.77Å; D464-W473 VanDerWaalsContact CG-CZ2 3.49Å; D464-W473 VanDerWaalsContact OD2-CE2 3.28Å; D464-W473 VanDerWaalsContact OD2-CZ2 3.23Å; D464-W473 WeakPolarHBondContact OD2-CZ2 2.98Å; D464-W473 PolarHBondContact OD2-NE1 3.11Å; D464-T493 PolarHBondContact N-O 3.14Å; D464-I495 PolarHBondContact O-N 2.89Å; D464-N555 PolarHBondContact OD1-ND2 2.86Å
465	F	98.2	Very high	95.8	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	107.7	175.5	-80.1	-86.2	0	0	0	110.6	V463 I495 W536 I539 V554 N555 C556 V577 I581 M584	V463-F465 HydrophobicContact CG1-CD2 4.23Å; V463-F465 HydrophobicContact CG1-CE2 3.89Å; F465-I495 HydrophobicContact CD1-CB 4.33Å; F465-I495 HydrophobicContact CD1-CD1 3.87Å; F465-I495 HydrophobicContact CD1-CG2 4.02Å; F465-I495 HydrophobicContact CD2-CD1 4.26Å; F465-I495 HydrophobicContact CE1-CD1 3.59Å; F465-I495 HydrophobicContact CE1-CG2 4.31Å; F465-I495 HydrophobicContact CE2-CD1 4Å; F465-I495 HydrophobicContact CG-CD1 4.21Å; F465-I495 HydrophobicContact CZ-CD1 3.67Å; F465-W536 HydrophobicContact CB-CE3 4.11Å; F465-W536 HydrophobicContact CB-CH2 3.79Å; F465-W536 HydrophobicContact CB-CZ2 4.39Å; F465-W536 HydrophobicContact CB-CZ3 3.69Å; F465-W536 HydrophobicContact CD1-CB 4.21Å; F465-W536 AromaticContact CD1-CD2 3.76Å; F465-W536 HydrophobicContact CD1-CD2 3.76Å; F465-W536 AromaticContact CD1-CE3 3.68Å; F465-W536 HydrophobicContact CD1-CE3 3.68Å; F465-W536 HydrophobicContact CD1-CG 4.01Å; F465-W536 HydrophobicContact CD1-CZ3 4.16Å; F465-W536 HydrophobicContact CE1-CB 4.15Å; F465-W536 HydrophobicContact CE1-CG 4.4Å; F465-W536 HydrophobicContact CG-CE3 4.3Å; F465-W536 HydrophobicContact CG-CZ3 4.35Å; F465-W536 WeakPolarHBondContact O-CH2 3.49Å; F465-I539 HydrophobicContact CE1-CD1 4.31Å; F465-V554 HydrophobicContact CD2-CG1 3.88Å; F465-V554 HydrophobicContact CE2-CG1 4.01Å; F465-N555 PolarHBondContact N-O 3.16Å; F465-C556 HydrophobicContact CB-CB 3.97Å; F465-V577 HydrophobicContact CE1-CG1 4.2Å; F465-V577 HydrophobicContact CZ-CG1 4.46Å; F465-I581 HydrophobicContact CD2-CD1 4.29Å; F465-I581 HydrophobicContact CE2-CD1 4.07Å; F465-I581 HydrophobicContact CE2-CG1 3.83Å; F465-I581 HydrophobicContact CZ-CG1 4.28Å; F465-M584 HydrophobicContact CE2-CE 3.81Å; F465-M584 HydrophobicContact CE2-SD 4.48Å; F465-M584 HydrophobicContact CZ-CE 3.66Å
466	G	95.2	Very high	95.9	Very high	8 Å²	8	22 Å²	22	8%	0.082	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	44.1	-179.2	0	0	0	0	0	113.3	D464 C468 I495	D464-G466 PolarHBondContact O-N 2.89Å; G466-C468 PolarHBondContact O-N 3.02Å; G466-C468 VanDerWaalsContact O-N 3.07Å; G466-I495 WeakPolarHBondContact CA-O 3.3Å; G466-I495 PolarHBondContact N-O 3.29Å
467	I	95.5	Very high	96.2	Very high	8 Å²	8	18 Å²	18	4%	0.041	10%	0.099	C	C	.	.			trans	-52.5	-29.7	-179.8	-169.5	164.3	0	0	0	113.8	D464 F469 G470 I492 I495 D496 N508 T512 L516 Y529	D464-I467 HydrophobicContact CB-CB 4.18Å; D464-I467 HydrophobicContact CB-CD1 4.43Å; D464-I467 HydrophobicContact CB-CG1 4.42Å; D464-I467 WeakPolarHBondContact OD2-CA 3.41Å; D464-I467 WeakPolarHBondContact OD2-CB 3.28Å; D464-I467 VanDerWaalsContact OD2-CG1 3.32Å; D464-I467 WeakPolarHBondContact OD2-CG1 3.49Å; I467-F469 PolarHBondContact O-N 2.95Å; I467-F469 VanDerWaalsContact O-N 3.08Å; I467-G470 PolarHBondContact O-N 2.98Å; I467-I492 HydrophobicContact CD1-CG2 3.92Å; I467-I495 PolarHBondContact N-O 3.42Å; I467-I495 VanDerWaalsContact N-O 3.15Å; I467-D496 HydrophobicContact CG2-CB 4.45Å; I467-N508 VanDerWaalsContact CG2-OD1 3.25Å; I467-N508 WeakPolarHBondContact CG2-OD1 3.01Å; I467-T512 HydrophobicContact CD1-CG2 4.09Å; I467-T512 HydrophobicContact CG1-CG2 4.11Å; I467-L516 HydrophobicContact CD1-CD1 4.04Å; I467-Y529 HydrophobicContact CD1-CE2 3.87Å
468	C	91.5	Very high	96.2	Very high	36 Å²	36	14 Å²	14	24%	0.243	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	-114.9	176.4	-163.3	0	0	0	0	111	G466 D496 T512	G466-C468 PolarHBondContact O-N 3.02Å; G466-C468 VanDerWaalsContact O-N 3.07Å; C468-D496 WeakPolarHBondContact CA-OD2 3.1Å; C468-T512 PolarHBondContact O-OG1 2.88Å
469	F	90.7	Very high	96.2	Very high	19 Å²	19	11.4 Å²	11.4	8%	0.083	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-3.1	178.1	-58.7	-83.1	0	0	0	114.7	V422 I425 I467 F471 M507 R515	V422-F469 HydrophobicContact CB-CE1 4.42Å; V422-F469 HydrophobicContact CG1-CD1 4.13Å; V422-F469 HydrophobicContact CG1-CE1 4.31Å; V422-F469 HydrophobicContact CG2-CD1 4.47Å; V422-F469 HydrophobicContact CG2-CE1 4.03Å; I425-F469 HydrophobicContact CB-CE2 4.21Å; I425-F469 HydrophobicContact CB-CZ 4.2Å; I425-F469 HydrophobicContact CG1-CE2 4.11Å; I425-F469 HydrophobicContact CG1-CZ 3.95Å; I425-F469 HydrophobicContact CG2-CD2 3.75Å; I425-F469 HydrophobicContact CG2-CE2 3.54Å; I425-F469 HydrophobicContact CG2-CG 4.44Å; I425-F469 HydrophobicContact CG2-CZ 4.02Å; I467-F469 PolarHBondContact O-N 2.95Å; I467-F469 VanDerWaalsContact O-N 3.08Å; F469-F471 VanDerWaalsContact C-N 3.3Å; F469-F471 HydrophobicContact CB-CD1 3.72Å; F469-F471 HydrophobicContact CB-CD2 4.16Å; F469-F471 HydrophobicContact CB-CE1 3.48Å; F469-F471 VanDerWaalsContact CB-CE1 3.48Å; F469-F471 HydrophobicContact CB-CE2 3.95Å; F469-F471 HydrophobicContact CB-CG 4.06Å; F469-F471 HydrophobicContact CB-CZ 3.61Å; F469-F471 HydrophobicContact CG-CE1 4.42Å; F469-F471 HydrophobicContact CG-CE2 4.38Å; F469-F471 HydrophobicContact CG-CZ 4.11Å; F469-F471 WeakPolarHBondContact O-CD1 3.5Å; F469-F471 PolarHBondContact O-N 3.27Å; F469-M507 HydrophobicContact CD1-SD 4.24Å; F469-M507 HydrophobicContact CE1-CE 4.05Å; F469-M507 HydrophobicContact CE1-SD 3.89Å; F469-R515 PolarHBondContact O-NH1 3.44Å
470	G	94.1	Very high	96.1	Very high	2 Å²	2	8.4 Å²	8.4	2%	0.021	5%	0.047	C	C	.	.			trans	71.3	17.3	178.9	0	0	0	0	0	115	I467 Q472 W473 P474	I467-G470 PolarHBondContact O-N 2.98Å; G470-Q472 PolarHBondContact O-N 3.11Å; G470-Q472 VanDerWaalsContact O-N 3.11Å; G470-W473 PolarHBondContact O-N 3.17Å; G470-W473 VanDerWaalsContact O-N 3.15Å; G470-P474 VanDerWaalsContact O-CD 3.25Å; G470-P474 WeakPolarHBondContact O-CD 2.99Å
471	F	94.3	Very high	96	Very high	16 Å²	16	9.9 Å²	9.9	7%	0.07	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.3	-172	-68.5	-11	0	0	0	115.4	F296 L300 I425 L426 F429 F469	F296-F471 HydrophobicContact CD1-CE1 4.27Å; F296-F471 AromaticContact CE1-CE1 3.84Å; F296-F471 HydrophobicContact CE1-CE1 3.84Å; F296-F471 HydrophobicContact CE1-CZ 4.04Å; L300-F471 HydrophobicContact CD1-CD1 3.69Å; L300-F471 HydrophobicContact CD1-CE1 4.11Å; L300-F471 HydrophobicContact CD1-CG 4.33Å; L300-F471 HydrophobicContact CD2-CB 3.69Å; L300-F471 HydrophobicContact CD2-CD1 3.93Å; L300-F471 HydrophobicContact CD2-CD2 4.25Å; L300-F471 HydrophobicContact CD2-CG 3.71Å; L300-F471 HydrophobicContact CG-CD1 4.49Å; I425-F471 HydrophobicContact CG2-CE2 4.2Å; L426-F471 HydrophobicContact CB-CZ 4.48Å; L426-F471 HydrophobicContact CD1-CE1 4.4Å; L426-F471 HydrophobicContact CD1-CE2 3.98Å; L426-F471 HydrophobicContact CD1-CZ 3.83Å; F429-F471 HydrophobicContact CB-CD2 4.1Å; F429-F471 HydrophobicContact CB-CE2 4.15Å; F429-F471 HydrophobicContact CD1-CB 4.43Å; F429-F471 AromaticContact CD1-CD2 3.74Å; F429-F471 HydrophobicContact CD1-CD2 3.74Å; F429-F471 HydrophobicContact CD1-CE2 4.4Å; F429-F471 HydrophobicContact CD1-CG 4.42Å; F429-F471 AromaticContact CD2-CD2 3.94Å; F429-F471 HydrophobicContact CD2-CD2 3.94Å; F429-F471 HydrophobicContact CE1-CB 3.91Å; F429-F471 HydrophobicContact CE1-CD2 4.08Å; F429-F471 HydrophobicContact CE1-CG 4.36Å; F429-F471 HydrophobicContact CE2-CB 4.18Å; F429-F471 HydrophobicContact CE2-CD2 4.27Å; F429-F471 AromaticContact CG-CD2 3.66Å; F429-F471 HydrophobicContact CG-CD2 3.66Å; F429-F471 HydrophobicContact CG-CE2 4.21Å; F429-F471 HydrophobicContact CZ-CB 3.77Å; F429-F471 HydrophobicContact CZ-CD2 4.34Å; F469-F471 VanDerWaalsContact C-N 3.3Å; F469-F471 HydrophobicContact CB-CD1 3.72Å; F469-F471 HydrophobicContact CB-CD2 4.16Å; F469-F471 HydrophobicContact CB-CE1 3.48Å; F469-F471 VanDerWaalsContact CB-CE1 3.48Å; F469-F471 HydrophobicContact CB-CE2 3.95Å; F469-F471 HydrophobicContact CB-CG 4.06Å; F469-F471 HydrophobicContact CB-CZ 3.61Å; F469-F471 HydrophobicContact CG-CE1 4.42Å; F469-F471 HydrophobicContact CG-CE2 4.38Å; F469-F471 HydrophobicContact CG-CZ 4.11Å; F469-F471 WeakPolarHBondContact O-CD1 3.5Å; F469-F471 PolarHBondContact O-N 3.27Å
472	Q	95.3	Very high	95.8	Very high	9 Å²	9	16.8 Å²	16.8	4%	0.042	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-35.7	173.5	178.4	177.4	-13.4	0	0	112.8	H443 S446 N447 G470 S475 N555	H443-Q472 HydrophobicContact CB-CG 4.15Å; S446-Q472 VanDerWaalsContact CB-NE2 3.3Å; S446-Q472 PolarHBondContact OG-NE2 3.33Å; N447-Q472 PolarHBondContact ND2-O 2.94Å; N447-Q472 WeakPolarHBondContact OD1-CG 3.4Å; N447-Q472 PolarHBondContact OD1-NE2 2.72Å; G470-Q472 PolarHBondContact O-N 3.11Å; G470-Q472 VanDerWaalsContact O-N 3.11Å; Q472-S475 PolarHBondContact O-OG 3.46Å; Q472-N555 PolarHBondContact OE1-ND2 3.48Å
473	W	97.5	Very high	95.5	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-80.7	-30.6	-161.8	-56.6	117.6	0	0	0	116	I450 I462 D464 G470 S475 L476 L477 I492 L516 N555	I450-W473 HydrophobicContact CD1-CH2 4.16Å; I450-W473 HydrophobicContact CD1-CZ3 3.9Å; I462-W473 HydrophobicContact CD1-CE3 4.27Å; I462-W473 HydrophobicContact CD1-CH2 4.45Å; I462-W473 HydrophobicContact CD1-CZ3 3.86Å; I462-W473 HydrophobicContact CG2-CH2 3.5Å; I462-W473 HydrophobicContact CG2-CZ2 3.91Å; I462-W473 HydrophobicContact CG2-CZ3 3.99Å; D464-W473 HydrophobicContact CB-CZ2 3.77Å; D464-W473 VanDerWaalsContact CG-CZ2 3.49Å; D464-W473 VanDerWaalsContact OD2-CE2 3.28Å; D464-W473 VanDerWaalsContact OD2-CZ2 3.23Å; D464-W473 WeakPolarHBondContact OD2-CZ2 2.98Å; D464-W473 PolarHBondContact OD2-NE1 3.11Å; G470-W473 PolarHBondContact O-N 3.17Å; G470-W473 VanDerWaalsContact O-N 3.15Å; W473-S475 VanDerWaalsContact C-N 3.31Å; W473-S475 PolarHBondContact O-N 3.46Å; W473-L476 HydrophobicContact CE3-CB 4.37Å; W473-L476 HydrophobicContact CE3-CD2 3.62Å; W473-L476 HydrophobicContact CZ3-CD2 3.6Å; W473-L476 WeakPolarHBondContact O-CB 3.49Å; W473-L476 PolarHBondContact O-N 3.14Å; W473-L477 WeakPolarHBondContact O-CG 3.3Å; W473-L477 PolarHBondContact O-N 3.26Å; W473-I492 HydrophobicContact CB-CD1 4.14Å; W473-I492 HydrophobicContact CD2-CD1 4.05Å; W473-I492 HydrophobicContact CE3-CD1 4.44Å; W473-I492 HydrophobicContact CG-CD1 3.89Å; W473-L516 HydrophobicContact CB-CD2 3.68Å; W473-L516 HydrophobicContact CG-CD2 4.44Å; W473-N555 HydrophobicContact CH2-CB 4.01Å; W473-N555 HydrophobicContact CZ2-CB 4.2Å
474	P	96.5	Very high	94.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-55.4	-41.9	177.3	-31.1	38.7	0	0	0	113.8	L300 L301 G470 L476 L477 E478 L516 Y519	L300-P474 HydrophobicContact CB-CB 4.1Å; L300-P474 HydrophobicContact CB-CG 4.25Å; L300-P474 HydrophobicContact CD1-CG 4.1Å; L301-P474 HydrophobicContact CD2-CB 3.85Å; G470-P474 VanDerWaalsContact O-CD 3.25Å; G470-P474 WeakPolarHBondContact O-CD 2.99Å; P474-L476 VanDerWaalsContact C-N 3.33Å; P474-L476 PolarHBondContact O-N 3.07Å; P474-L477 PolarHBondContact O-N 3.43Å; P474-E478 PolarHBondContact O-N 2.98Å; P474-L516 HydrophobicContact CG-CD2 4.31Å; P474-Y519 HydrophobicContact CB-CD1 4.05Å; P474-Y519 HydrophobicContact CB-CD2 3.73Å; P474-Y519 HydrophobicContact CB-CE1 4.22Å; P474-Y519 HydrophobicContact CB-CE2 3.88Å; P474-Y519 HydrophobicContact CB-CG 3.82Å; P474-Y519 HydrophobicContact CG-CD2 3.42Å; P474-Y519 VanDerWaalsContact CG-CD2 3.42Å; P474-Y519 HydrophobicContact CG-CE2 3.57Å; P474-Y519 HydrophobicContact CG-CG 4.02Å
475	S	94.7	Very high	94.4	Very high	7 Å²	7	32.5 Å²	32.5	5%	0.049	18%	0.183	C	C	.	.	H	α-helix	trans	-69.5	-30.4	177.5	75.2	0	0	0	0	112.7	E304 N447 Q472 W473 Q479	E304-S475 PolarHBondContact OE1-OG 2.84Å; N447-S475 PolarHBondContact ND2-OG 3.36Å; N447-S475 VanDerWaalsContact ND2-OG 3.07Å; Q472-S475 PolarHBondContact O-OG 3.46Å; W473-S475 VanDerWaalsContact C-N 3.31Å; W473-S475 PolarHBondContact O-N 3.46Å; S475-Q479 VanDerWaalsContact O-CG 3.27Å; S475-Q479 WeakPolarHBondContact O-CG 3.41Å; S475-Q479 PolarHBondContact O-N 3.4Å; S475-Q479 PolarHBondContact O-NE2 3.39Å
476	L	96.5	Very high	94.2	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-69.7	-44.6	173.1	-179.6	64.7	0	0	0	111.1	N447 I450 L451 I462 W473 P474 E478 Q479 L480	N447-L476 HydrophobicContact CB-CD1 4.14Å; I450-L476 HydrophobicContact CD1-CD2 4.28Å; I450-L476 HydrophobicContact CG2-CD1 4.42Å; I450-L476 HydrophobicContact CG2-CD2 4.11Å; L451-L476 HydrophobicContact CD1-CD1 4.21Å; L451-L476 HydrophobicContact CD2-CD1 4.05Å; L451-L476 HydrophobicContact CG-CD1 3.79Å; I462-L476 HydrophobicContact CD1-CD2 3.84Å; W473-L476 HydrophobicContact CE3-CB 4.37Å; W473-L476 HydrophobicContact CE3-CD2 3.62Å; W473-L476 HydrophobicContact CZ3-CD2 3.6Å; W473-L476 WeakPolarHBondContact O-CB 3.49Å; W473-L476 PolarHBondContact O-N 3.14Å; P474-L476 VanDerWaalsContact C-N 3.33Å; P474-L476 PolarHBondContact O-N 3.07Å; L476-E478 VanDerWaalsContact C-N 3.31Å; L476-E478 PolarHBondContact O-N 2.88Å; L476-Q479 PolarHBondContact O-N 3.01Å; L476-Q479 VanDerWaalsContact O-N 3.11Å; L476-L480 HydrophobicContact CD1-CD1 4.36Å; L476-L480 HydrophobicContact CD1-CG 4.27Å; L476-L480 HydrophobicContact CD2-CD1 4.42Å; L476-L480 HydrophobicContact CG-CD1 3.95Å; L476-L480 HydrophobicContact CG-CG 4.3Å; L476-L480 WeakPolarHBondContact O-CG 3.45Å; L476-L480 PolarHBondContact O-N 3.44Å
477	L	97.8	Very high	94.2	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-59	-43.6	177.9	-69.7	170	0	0	0	111.2	W473 P474 Q479 L480 A481 V490 A520 F523 V525 F527	W473-L477 WeakPolarHBondContact O-CG 3.3Å; W473-L477 PolarHBondContact O-N 3.26Å; P474-L477 PolarHBondContact O-N 3.43Å; L477-Q479 VanDerWaalsContact C-N 3.31Å; L477-Q479 PolarHBondContact O-N 3.49Å; L477-L480 PolarHBondContact O-N 3.47Å; L477-A481 PolarHBondContact O-N 2.84Å; L477-V490 HydrophobicContact CD2-CB 4.46Å; L477-V490 HydrophobicContact CD2-CG1 4.21Å; L477-V490 HydrophobicContact CD2-CG2 4.42Å; L477-A520 HydrophobicContact CD1-CB 4.2Å; L477-A520 HydrophobicContact CD2-CB 4.4Å; L477-F523 HydrophobicContact CB-CD2 4.08Å; L477-V525 HydrophobicContact CD2-CB 4.42Å; L477-V525 HydrophobicContact CD2-CG1 4Å; L477-F527 HydrophobicContact CD2-CD2 4.41Å
478	E	96	Very high	94.3	Very high	21 Å²	21	35 Å²	35	10%	0.098	20%	0.202	C	C	.	.	H	α-helix	trans	-58.4	-42.9	174.4	-170.5	-167.2	178.9	0	0	111.9	P474 L476 A481 K482 F523	P474-E478 PolarHBondContact O-N 2.98Å; L476-E478 VanDerWaalsContact C-N 3.31Å; L476-E478 PolarHBondContact O-N 2.88Å; E478-A481 PolarHBondContact O-N 3.37Å; E478-K482 WeakPolarHBondContact O-CG 3.25Å; E478-K482 PolarHBondContact O-N 3.38Å; E478-K482 IonicContact OE1-NZ 3.61Å; E478-K482 PolarHBondContact OE1-NZ 2.93Å; E478-F523 HydrophobicContact CB-CD2 4.26Å; E478-F523 HydrophobicContact CB-CE1 4.12Å; E478-F523 HydrophobicContact CB-CE2 3.76Å; E478-F523 HydrophobicContact CB-CZ 3.68Å; E478-F523 HydrophobicContact CG-CD1 4.4Å; E478-F523 HydrophobicContact CG-CE1 3.8Å; E478-F523 HydrophobicContact CG-CE2 4.36Å; E478-F523 HydrophobicContact CG-CZ 3.78Å
479	Q	95.3	Very high	94.6	Very high	35 Å²	35	37.1 Å²	37.1	16%	0.164	21%	0.208	C	C	.	.	H	α-helix	trans	-69.8	-39.3	179.9	-72.9	173.8	83.2	0	0	112.5	E304 L451 S475 L476 L477 A481 K482	E304-Q479 VanDerWaalsContact CD-NE2 3.25Å; E304-Q479 PolarHBondContact OE1-NE2 3.26Å; E304-Q479 PolarHBondContact OE2-NE2 3.15Å; E304-Q479 PolarHBondContact OE2-OE1 3.18Å; L451-Q479 HydrophobicContact CD1-CB 3.89Å; L451-Q479 HydrophobicContact CD1-CG 4.38Å; L451-Q479 HydrophobicContact CD2-CB 4.2Å; S475-Q479 VanDerWaalsContact O-CG 3.27Å; S475-Q479 WeakPolarHBondContact O-CG 3.41Å; S475-Q479 PolarHBondContact O-N 3.4Å; S475-Q479 PolarHBondContact O-NE2 3.39Å; L476-Q479 PolarHBondContact O-N 3.01Å; L476-Q479 VanDerWaalsContact O-N 3.11Å; L477-Q479 VanDerWaalsContact C-N 3.31Å; L477-Q479 PolarHBondContact O-N 3.49Å; Q479-A481 VanDerWaalsContact C-N 3.31Å; Q479-A481 PolarHBondContact O-N 3.35Å; Q479-K482 PolarHBondContact O-N 2.74Å
480	L	96.4	Very high	95	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.9	-35.6	176.6	-73.2	172.6	0	0	0	112.1	L451 L454 L476 L477 K482 R483 P487 P488 V490	L451-L480 HydrophobicContact CD2-CD2 3.59Å; L451-L480 HydrophobicContact CD2-CG 4.05Å; L454-L480 HydrophobicContact CD1-CD2 3.94Å; L476-L480 HydrophobicContact CD1-CD1 4.36Å; L476-L480 HydrophobicContact CD1-CG 4.27Å; L476-L480 HydrophobicContact CD2-CD1 4.42Å; L476-L480 HydrophobicContact CG-CD1 3.95Å; L476-L480 HydrophobicContact CG-CG 4.3Å; L476-L480 WeakPolarHBondContact O-CG 3.45Å; L476-L480 PolarHBondContact O-N 3.44Å; L477-L480 PolarHBondContact O-N 3.47Å; L480-K482 PolarHBondContact O-N 2.96Å; L480-R483 VanDerWaalsContact O-CB 3.22Å; L480-R483 WeakPolarHBondContact O-CB 3.34Å; L480-R483 PolarHBondContact O-N 2.83Å; L480-P487 WeakPolarHBondContact O-CA 3.33Å; L480-P488 HydrophobicContact CD1-CG 4.43Å; L480-P488 HydrophobicContact CD2-CG 4Å; L480-V490 HydrophobicContact CD1-CG2 3.73Å
481	A	96.1	Very high	95.2	Very high	31 Å²	31	37.3 Å²	37.3	26%	0.256	21%	0.207	S	C	.	.	H	α-helix	trans	-64.3	-28.2	175.5	0	0	0	0	0	113.5	L477 E478 Q479 R483 F523 V525	L477-A481 PolarHBondContact O-N 2.84Å; E478-A481 PolarHBondContact O-N 3.37Å; Q479-A481 VanDerWaalsContact C-N 3.31Å; Q479-A481 PolarHBondContact O-N 3.35Å; A481-R483 VanDerWaalsContact C-N 3.31Å; A481-F523 HydrophobicContact CB-CB 3.78Å; A481-F523 WeakPolarHBondContact CB-O 3.44Å; A481-V525 HydrophobicContact CB-CG2 3.97Å
482	K	93.6	Very high	95.4	Very high	145 Å²	145	36.6 Å²	36.6	63%	0.63	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	2.5	179.2	-64.8	172.6	-171.5	171.7	0	113.4	E478 Q479 L480	E478-K482 WeakPolarHBondContact O-CG 3.25Å; E478-K482 PolarHBondContact O-N 3.38Å; E478-K482 IonicContact OE1-NZ 3.61Å; E478-K482 PolarHBondContact OE1-NZ 2.93Å; Q479-K482 PolarHBondContact O-N 2.74Å; L480-K482 PolarHBondContact O-N 2.96Å
483	R	92.9	Very high	95.6	Very high	57 Å²	57	36.1 Å²	36.1	22%	0.215	20%	0.202	C	C	.	.	S	Bend	trans	-71	142.6	-175.9	-167.6	179.2	65.4	166.2	3.8	111.6	L454 K457 L480 A481 G485 G486	L454-R483 PolarHBondContact O-NH1 3.19Å; K457-R483 VanDerWaalsContact O-CZ 3.24Å; K457-R483 PolarHBondContact O-NH1 3.02Å; K457-R483 PolarHBondContact O-NH2 2.89Å; L480-R483 VanDerWaalsContact O-CB 3.22Å; L480-R483 WeakPolarHBondContact O-CB 3.34Å; L480-R483 PolarHBondContact O-N 2.83Å; A481-R483 VanDerWaalsContact C-N 3.31Å; R483-G485 PolarHBondContact O-N 2.81Å; R483-G486 PolarHBondContact NE-O 3.04Å; R483-G486 VanDerWaalsContact NE-O 3.14Å; R483-G486 PolarHBondContact NH2-O 3.18Å; R483-G486 PolarHBondContact O-N 3.41Å
484	E	87.1	Confident	95.6	Very high	193 Å²	193	36.1 Å²	36.1	90%	0.902	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	132.5	170.1	-168.2	176	-176	0	0	110.6	G486	E484-G486 VanDerWaalsContact C-N 3.29Å
485	G	87.9	Confident	95.6	Very high	89 Å²	89	36.1 Å²	36.1	92%	0.918	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.3	-0.1	-171.3	0	0	0	0	0	115	R483	R483-G485 PolarHBondContact O-N 2.81Å
486	G	92.5	Very high	95.6	Very high	23 Å²	23	36.4 Å²	36.4	24%	0.237	20%	0.203	C	C	.	.			trans	89.4	171.4	176.6	0	0	0	0	0	114.7	R483 E484	R483-G486 PolarHBondContact NE-O 3.04Å; R483-G486 VanDerWaalsContact NE-O 3.14Å; R483-G486 PolarHBondContact NH2-O 3.18Å; R483-G486 PolarHBondContact O-N 3.41Å; E484-G486 VanDerWaalsContact C-N 3.29Å
487	P	96.3	Very high	95.2	Very high	44 Å²	44	39.5 Å²	39.5	29%	0.286	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-67.2	142.3	-179.4	25.5	-31.8	0	0	0	111.7	L480 V525	L480-P487 WeakPolarHBondContact O-CA 3.33Å; P487-V525 HydrophobicContact CB-CB 4.35Å; P487-V525 HydrophobicContact CB-CG1 4.28Å; P487-V525 HydrophobicContact CB-CG2 3.89Å; P487-V525 HydrophobicContact CG-CG2 4.48Å
488	P	97.1	Very high	94.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-72	165.1	168.3	31.8	-29.9	0	0	0	110.4	S458 V460 L480 V490	S458-P488 CarbonylContact O-C 3.5Å; S458-P488 WeakPolarHBondContact O-CA 3.2Å; S458-P488 VanDerWaalsContact O-CB 3.26Å; S458-P488 WeakPolarHBondContact O-CB 3Å; V460-P488 HydrophobicContact CG1-CG 4.33Å; L480-P488 HydrophobicContact CD1-CG 4.43Å; L480-P488 HydrophobicContact CD2-CG 4Å; P488-V490 HydrophobicContact CG-CG2 4.15Å; P488-V490 PolarHBondContact O-N 3.46Å
489	K	98.1	Very high	93.7	Very high	82 Å²	82	44.9 Å²	44.9	36%	0.357	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	122.2	160.5	-174.7	-176.5	179.4	-169.9	0	108.5	S458 K459 V460 P526 E528	S458-K489 PolarHBondContact O-N 2.93Å; K459-K489 WeakPolarHBondContact CA-O 3.28Å; K459-K489 HydrophobicContact CG-CB 4.4Å; V460-K489 PolarHBondContact N-O 3Å; K489-P526 HydrophobicContact CB-CB 4.37Å; K489-P526 HydrophobicContact CG-CB 4.3Å; K489-E528 WeakPolarHBondContact CE-OE1 3.27Å; K489-E528 WeakPolarHBondContact CE-OE2 3.18Å; K489-E528 IonicContact NZ-OE1 3.85Å; K489-E528 PolarHBondContact NZ-OE1 3.3Å; K489-E528 IonicContact NZ-OE2 2.73Å; K489-E528 PolarHBondContact NZ-OE2 3.03Å; K489-E528 VanDerWaalsContact NZ-OE2 3.14Å
490	V	98.6	Very high	92.5	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.6	-178.4	178.9	0	0	0	0	109.6	V460 L477 L480 P488 I492 V525 P526 F527 E528	V460-V490 HydrophobicContact CG1-CB 4.19Å; V460-V490 HydrophobicContact CG1-CG1 4.25Å; V460-V490 HydrophobicContact CG1-CG2 3.83Å; L477-V490 HydrophobicContact CD2-CB 4.46Å; L477-V490 HydrophobicContact CD2-CG1 4.21Å; L477-V490 HydrophobicContact CD2-CG2 4.42Å; L480-V490 HydrophobicContact CD1-CG2 3.73Å; P488-V490 HydrophobicContact CG-CG2 4.15Å; P488-V490 PolarHBondContact O-N 3.46Å; V490-I492 HydrophobicContact CG1-CD1 4.35Å; V490-I492 HydrophobicContact CG1-CG1 4Å; V490-V525 HydrophobicContact CB-CG1 4.08Å; V490-V525 HydrophobicContact CG2-CG1 3.58Å; V490-P526 PolarHBondContact N-O 3.33Å; V490-F527 HydrophobicContact CB-CD2 4.21Å; V490-F527 HydrophobicContact CG1-CD2 4.1Å; V490-F527 HydrophobicContact CG1-CE2 4.33Å; V490-F527 CarbonylContact O-C 3.29Å; V490-F527 VanDerWaalsContact O-CA 3.27Å; V490-F527 WeakPolarHBondContact O-CA 3.32Å; V490-F527 WeakPolarHBondContact O-CD2 3.34Å; V490-E528 PolarHBondContact O-N 2.62Å
491	R	98.6	Very high	91.2	Very high	23 Å²	23	52.6 Å²	52.6	9%	0.087	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.1	170.5	-173.6	161.8	62.9	119.8	-12.9	109.6	V460 H461 I462 E528 N545 D550	V460-R491 PolarHBondContact O-N 3.15Å; H461-R491 CarbonylContact C-O 3.08Å; H461-R491 WeakPolarHBondContact CA-O 3.42Å; H461-R491 HydrophobicContact CB-CB 4.48Å; H461-R491 PolarHBondContact CE1-NH1 3.46Å; H461-R491 PolarHBondContact ND1-NH2 2.99Å; I462-R491 PolarHBondContact N-O 3.34Å; R491-E528 CarbonylContact C-O 3.55Å; R491-E528 WeakPolarHBondContact CA-O 3.43Å; R491-E528 HydrophobicContact CB-CB 4.35Å; R491-E528 WeakPolarHBondContact CD-OE2 3.24Å; R491-E528 HydrophobicContact CG-CB 4.03Å; R491-N545 VanDerWaalsContact CZ-O 3.29Å; R491-N545 PolarHBondContact NH1-O 2.7Å; R491-N545 PolarHBondContact NH2-O 3.12Å; R491-D550 IonicContact CZ-OD2 3.94Å; R491-D550 IonicContact NE-OD2 2.87Å; R491-D550 PolarHBondContact NE-OD2 3.19Å; R491-D550 IonicContact NH2-OD2 3.06Å; R491-D550 PolarHBondContact NH2-OD2 3.35Å
492	I	98.7	Very high	89.9	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.4	175.6	-60.8	-175.8	0	0	0	109.6	I462 I467 W473 V490 L516 F527 E528 Y529 Q530	I462-I492 HydrophobicContact CB-CG1 4.26Å; I462-I492 HydrophobicContact CD1-CG1 4.5Å; I462-I492 CarbonylContact O-C 3.49Å; I462-I492 WeakPolarHBondContact O-CA 3.23Å; I467-I492 HydrophobicContact CD1-CG2 3.92Å; W473-I492 HydrophobicContact CB-CD1 4.14Å; W473-I492 HydrophobicContact CD2-CD1 4.05Å; W473-I492 HydrophobicContact CE3-CD1 4.44Å; W473-I492 HydrophobicContact CG-CD1 3.89Å; V490-I492 HydrophobicContact CG1-CD1 4.35Å; V490-I492 HydrophobicContact CG1-CG1 4Å; I492-L516 HydrophobicContact CD1-CD1 4.41Å; I492-F527 HydrophobicContact CB-CE2 4.25Å; I492-F527 HydrophobicContact CB-CZ 4.48Å; I492-F527 HydrophobicContact CD1-CE2 3.83Å; I492-F527 HydrophobicContact CD1-CZ 4.42Å; I492-F527 HydrophobicContact CG1-CE2 3.88Å; I492-E528 PolarHBondContact N-O 3.33Å; I492-Y529 HydrophobicContact CB-CD2 4.1Å; I492-Y529 HydrophobicContact CG2-CD2 4.14Å; I492-Y529 HydrophobicContact CG2-CE2 4.12Å; I492-Y529 WeakPolarHBondContact O-CA 3.45Å; I492-Y529 WeakPolarHBondContact O-CD2 3.31Å; I492-Q530 PolarHBondContact O-N 3.01Å
493	T	98.6	Very high	89.1	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	102.7	165.4	-60.6	0	0	0	0	108.6	H461 I462 D464 I495 Q530 I532 L544	H461-T493 PolarHBondContact NE2-OG1 3.11Å; I462-T493 PolarHBondContact O-N 3.26Å; D464-T493 PolarHBondContact N-O 3.14Å; T493-I495 HydrophobicContact CG2-CG1 4.32Å; T493-Q530 CarbonylContact C-O 3.23Å; T493-Q530 VanDerWaalsContact CA-O 3.27Å; T493-Q530 WeakPolarHBondContact CA-O 3.43Å; T493-Q530 HydrophobicContact CG2-CB 4.32Å; T493-Q530 HydrophobicContact CG2-CG 4.32Å; T493-I532 HydrophobicContact CG2-CD1 3.6Å; T493-I532 HydrophobicContact CG2-CG1 4Å; T493-L544 HydrophobicContact CG2-CD2 4.09Å
494	G	98.2	Very high	88.2	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	110	178.4	0	0	0	0	0	111.5	N508 Q530 I532	G494-N508 PolarHBondContact O-ND2 3.03Å; G494-Q530 PolarHBondContact N-O 3.41Å; G494-I532 PolarHBondContact O-N 3.24Å
495	I	97.6	Very high	88	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.3	177.9	-61.2	167.5	0	0	0	108.7	V463 D464 F465 G466 I467 T493 I532 W536 I539 L544	V463-I495 HydrophobicContact CG1-CD1 3.53Å; V463-I495 HydrophobicContact CG1-CG1 4.47Å; D464-I495 PolarHBondContact O-N 2.89Å; F465-I495 HydrophobicContact CD1-CB 4.33Å; F465-I495 HydrophobicContact CD1-CD1 3.87Å; F465-I495 HydrophobicContact CD1-CG2 4.02Å; F465-I495 HydrophobicContact CD2-CD1 4.26Å; F465-I495 HydrophobicContact CE1-CD1 3.59Å; F465-I495 HydrophobicContact CE1-CG2 4.31Å; F465-I495 HydrophobicContact CE2-CD1 4Å; F465-I495 HydrophobicContact CG-CD1 4.21Å; F465-I495 HydrophobicContact CZ-CD1 3.67Å; G466-I495 WeakPolarHBondContact CA-O 3.3Å; G466-I495 PolarHBondContact N-O 3.29Å; I467-I495 PolarHBondContact N-O 3.42Å; I467-I495 VanDerWaalsContact N-O 3.15Å; T493-I495 HydrophobicContact CG2-CG1 4.32Å; I495-I532 WeakPolarHBondContact CA-O 3.49Å; I495-I532 HydrophobicContact CG1-CB 4.15Å; I495-I532 HydrophobicContact CG1-CD1 4.48Å; I495-W536 HydrophobicContact CG2-CG 4.32Å; I495-I539 HydrophobicContact CB-CD1 4.38Å; I495-I539 HydrophobicContact CD1-CD1 3.84Å; I495-I539 HydrophobicContact CG1-CD1 4.09Å; I495-I539 HydrophobicContact CG2-CD1 3.39Å; I495-L544 HydrophobicContact CD1-CD2 4.02Å
496	D	93.6	Very high	87.7	Confident	13 Å²	13	50 Å²	50	7%	0.07	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	165.3	169.3	-154	-5.1	0	0	0	110.9	I467 C468 I532 S533 S534 R559	I467-D496 HydrophobicContact CG2-CB 4.45Å; C468-D496 WeakPolarHBondContact CA-OD2 3.1Å; D496-I532 PolarHBondContact N-O 3.2Å; D496-S533 VanDerWaalsContact O-CA 3.3Å; D496-S533 WeakPolarHBondContact O-CA 3.27Å; D496-S534 PolarHBondContact O-N 2.97Å; D496-R559 IonicContact OD1-NH2 3.84Å
497	L	88.5	Confident	87.4	Confident	69 Å²	69	50.2 Å²	50.2	36%	0.361	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-71	143	173.5	-64.6	175.8	0	0	0	110.2	K499	L497-K499 PolarHBondContact O-N 2.93Å
498	P	84.4	Confident	87	Confident	60 Å²	60	48.3 Å²	48.3	39%	0.39	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-61.2	131.8	174.5	25.6	-32.7	0	0	0	110.2	P504	P498-P504 HydrophobicContact CB-CB 3.99Å
499	K	78.6	Confident	86.4	Confident	76 Å²	76	54.4 Å²	54.4	33%	0.33	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-69.9	153.6	174.7	-66.8	-81.5	-178.2	172	0	110.2	L497 P504	L497-K499 PolarHBondContact O-N 2.93Å; K499-P504 WeakPolarHBondContact CB-O 3.46Å; K499-P504 PolarHBondContact N-O 3.12Å; K499-P504 WeakPolarHBondContact O-CB 3.48Å
500	Q	69	Low	85.7	Confident	155 Å²	155	55 Å²	55	72%	0.724	27%	0.268	S	S	*	.	S	Bend	trans	-72.4	148.8	170.9	-66.7	-176.1	-15	0	0	110.6
501	G	68.8	Low	85.3	Confident	41 Å²	41	55.6 Å²	55.6	42%	0.423	27%	0.271	S	S	.	.	S	Bend	trans	95.3	-155.3	174.3	0	0	0	0	0	115.3
502	F	70.1	Confident	85	Confident	157 Å²	157	54.5 Å²	54.5	69%	0.689	27%	0.267	S	S	*	.	S	Bend	trans	-80.3	126.4	-172.8	-169.4	-108.4	0	0	0	111.6
503	R	75	Confident	84.8	Confident	132 Å²	132	54.7 Å²	54.7	50%	0.498	27%	0.269	S	S	.	.	S	Bend	trans	61.9	67.8	-176	-56	176.1	179.1	171.8	0.7	112.7	D505 R506	R503-D505 PolarHBondContact O-N 3.37Å; R503-D505 VanDerWaalsContact O-N 3.11Å; R503-R506 HydrophobicContact CB-CB 3.89Å; R503-R506 VanDerWaalsContact O-CB 3.29Å; R503-R506 WeakPolarHBondContact O-CB 3.48Å; R503-R506 PolarHBondContact O-N 2.74Å; R503-R506 VanDerWaalsContact O-N 3.07Å
504	P	75.4	Confident	84.6	Confident	53 Å²	53	58.9 Å²	58.9	34%	0.344	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.1	-172.7	28.6	-38.6	0	0	0	114.1	P498 K499	P498-P504 HydrophobicContact CB-CB 3.99Å; K499-P504 WeakPolarHBondContact CB-O 3.46Å; K499-P504 PolarHBondContact N-O 3.12Å; K499-P504 WeakPolarHBondContact O-CB 3.48Å
505	D	82.7	Confident	84.5	Confident	62 Å²	62	58.9 Å²	58.9	33%	0.332	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-8.9	-178.3	66.1	-37.9	0	0	0	113.5	R503 M507 N508 K509	R503-D505 PolarHBondContact O-N 3.37Å; R503-D505 VanDerWaalsContact O-N 3.11Å; D505-M507 VanDerWaalsContact C-N 3.35Å; D505-M507 PolarHBondContact O-N 3.44Å; D505-N508 PolarHBondContact O-N 3.21Å; D505-N508 VanDerWaalsContact O-N 3.16Å; D505-K509 WeakPolarHBondContact O-CB 3.26Å; D505-K509 PolarHBondContact O-N 2.8Å
506	R	82.2	Confident	84.5	Confident	57 Å²	57	58.9 Å²	58.9	22%	0.215	29%	0.289	C	S	.	.	H	α-helix	trans	-56.6	-45.1	-170.8	-173	176.6	-176.9	-154.3	-8.8	113.2	S286 R503 N508 Q510 N511	S286-R506 VanDerWaalsContact CB-NH1 3.29Å; R503-R506 HydrophobicContact CB-CB 3.89Å; R503-R506 VanDerWaalsContact O-CB 3.29Å; R503-R506 WeakPolarHBondContact O-CB 3.48Å; R503-R506 PolarHBondContact O-N 2.74Å; R503-R506 VanDerWaalsContact O-N 3.07Å; R506-N508 VanDerWaalsContact C-N 3.33Å; R506-N508 PolarHBondContact O-N 3.37Å; R506-Q510 HydrophobicContact CG-CB 4.26Å; R506-Q510 HydrophobicContact CG-CG 4.35Å; R506-Q510 WeakPolarHBondContact O-CA 3.32Å; R506-Q510 WeakPolarHBondContact O-CB 3.28Å; R506-Q510 PolarHBondContact O-N 3.37Å; R506-N511 PolarHBondContact O-N 2.87Å
507	M	84.5	Confident	84.6	Confident	28 Å²	28	59.8 Å²	59.8	14%	0.138	30%	0.298	C	S	.	.	I	π-helix	trans	-58.6	-48.1	-179.3	-176	67.7	78.1	0	0	110.7	V422 F469 D505 N511 T512	V422-M507 HydrophobicContact CG2-CE 3.97Å; V422-M507 HydrophobicContact CG2-SD 4.06Å; F469-M507 HydrophobicContact CD1-SD 4.24Å; F469-M507 HydrophobicContact CE1-CE 4.05Å; F469-M507 HydrophobicContact CE1-SD 3.89Å; D505-M507 VanDerWaalsContact C-N 3.35Å; D505-M507 PolarHBondContact O-N 3.44Å; M507-N511 WeakPolarHBondContact O-CB 3.42Å; M507-N511 PolarHBondContact O-N 3.27Å; M507-N511 HydrophobicContact SD-CB 4.06Å; M507-N511 PolarHBondContact SD-ND2 2.86Å; M507-N511 VanDerWaalsContact SD-ND2 3.43Å; M507-T512 PolarHBondContact O-N 3.4Å; M507-T512 PolarHBondContact O-OG1 2.8Å
508	N	88.5	Confident	85	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.021	29%	0.292	C	S	.	.	I	π-helix	trans	-69	-54.1	-178.5	-164.9	21.6	0	0	0	110.7	I467 G494 D505 R506 T512 G513 Y529 A531 I532	I467-N508 VanDerWaalsContact CG2-OD1 3.25Å; I467-N508 WeakPolarHBondContact CG2-OD1 3.01Å; G494-N508 PolarHBondContact O-ND2 3.03Å; D505-N508 PolarHBondContact O-N 3.21Å; D505-N508 VanDerWaalsContact O-N 3.16Å; R506-N508 VanDerWaalsContact C-N 3.33Å; R506-N508 PolarHBondContact O-N 3.37Å; N508-T512 WeakPolarHBondContact O-CB 3.45Å; N508-G513 PolarHBondContact O-N 3.06Å; N508-G513 VanDerWaalsContact O-N 3.09Å; N508-Y529 PolarHBondContact O-OH 3.05Å; N508-Y529 PolarHBondContact OD1-OH 3.23Å; N508-A531 HydrophobicContact CB-CB 4.42Å; N508-I532 PolarHBondContact ND2-O 3Å
509	K	85.5	Confident	85.6	Confident	129 Å²	129	55.8 Å²	55.8	56%	0.561	27%	0.274	S	S	*	.	I	π-helix	trans	-69.3	-51.2	-173.8	-172.6	173.5	-178.2	173.9	0	113.8	D505 A531	D505-K509 WeakPolarHBondContact O-CB 3.26Å; D505-K509 PolarHBondContact O-N 2.8Å; K509-A531 HydrophobicContact CB-CB 3.84Å; K509-A531 HydrophobicContact CG-CB 4.26Å
510	Q	83.6	Confident	86.6	Confident	93 Å²	93	52.2 Å²	52.2	44%	0.435	26%	0.259	S	S	.	.	I	π-helix	trans	-90	-45.9	-172.9	-66.4	179.5	-8.2	0	0	112	R506 Q514	R506-Q510 HydrophobicContact CG-CB 4.26Å; R506-Q510 HydrophobicContact CG-CG 4.35Å; R506-Q510 WeakPolarHBondContact O-CA 3.32Å; R506-Q510 WeakPolarHBondContact O-CB 3.28Å; R506-Q510 PolarHBondContact O-N 3.37Å; Q510-Q514 WeakPolarHBondContact O-CB 3.38Å; Q510-Q514 PolarHBondContact O-N 3.28Å
511	N	88.4	Confident	87.9	Confident	14 Å²	14	49 Å²	49	8%	0.075	25%	0.253	C	S	.	.	I	π-helix	trans	-83.8	-52.9	-172	-60.5	-3	0	0	0	111.7	R506 M507 R515	R506-N511 PolarHBondContact O-N 2.87Å; M507-N511 WeakPolarHBondContact O-CB 3.42Å; M507-N511 PolarHBondContact O-N 3.27Å; M507-N511 HydrophobicContact SD-CB 4.06Å; M507-N511 PolarHBondContact SD-ND2 2.86Å; M507-N511 VanDerWaalsContact SD-ND2 3.43Å; N511-R515 WeakPolarHBondContact O-CB 3.32Å; N511-R515 PolarHBondContact O-N 3.38Å; N511-R515 VanDerWaalsContact O-N 3.15Å
512	T	92.7	Very high	89.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.24	C	C	.	.	I	π-helix	trans	-68.5	-49.9	-179.6	-61.6	0	0	0	0	110.8	I467 C468 M507 N508 Q514 R515 L516	I467-T512 HydrophobicContact CD1-CG2 4.09Å; I467-T512 HydrophobicContact CG1-CG2 4.11Å; C468-T512 PolarHBondContact O-OG1 2.88Å; M507-T512 PolarHBondContact O-N 3.4Å; M507-T512 PolarHBondContact O-OG1 2.8Å; N508-T512 WeakPolarHBondContact O-CB 3.45Å; T512-Q514 PolarHBondContact O-N 2.8Å; T512-R515 PolarHBondContact O-N 2.88Å; T512-L516 HydrophobicContact CG2-CD1 4.14Å; T512-L516 HydrophobicContact CG2-CG 4.49Å; T512-L516 WeakPolarHBondContact O-CG 3.5Å; T512-L516 PolarHBondContact O-N 3.44Å
513	G	95.5	Very high	90.5	Very high	5 Å²	5	42.2 Å²	42.2	5%	0.052	21%	0.213	C	C	.	.	H	α-helix	trans	-55.5	-48.7	177.7	0	0	0	0	0	114.3	N508 L516 A517	N508-G513 PolarHBondContact O-N 3.06Å; N508-G513 VanDerWaalsContact O-N 3.09Å; G513-L516 PolarHBondContact O-N 3.45Å; G513-A517 PolarHBondContact O-N 3.49Å
514	Q	94.7	Very high	91.6	Very high	88 Å²	88	42.3 Å²	42.3	41%	0.411	22%	0.223	S	C	.	.	H	α-helix	trans	-65.6	-43.6	179.4	-172.8	63.6	52.8	0	0	111.9	I291 Q510 T512 L516 A517 D518	I291-Q514 HydrophobicContact CD1-CB 4.27Å; I291-Q514 HydrophobicContact CD1-CG 3.89Å; I291-Q514 HydrophobicContact CG2-CB 4.01Å; I291-Q514 HydrophobicContact CG2-CG 3.99Å; Q510-Q514 WeakPolarHBondContact O-CB 3.38Å; Q510-Q514 PolarHBondContact O-N 3.28Å; T512-Q514 PolarHBondContact O-N 2.8Å; Q514-L516 VanDerWaalsContact C-N 3.28Å; Q514-L516 PolarHBondContact O-N 3.33Å; Q514-A517 WeakPolarHBondContact O-CB 3.17Å; Q514-A517 PolarHBondContact O-N 2.85Å; Q514-A517 VanDerWaalsContact O-N 3.13Å; Q514-D518 PolarHBondContact NE2-OD1 3.01Å; Q514-D518 PolarHBondContact O-N 3.46Å
515	R	94.6	Very high	92.7	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-57.4	-43.5	177.3	-178	-178.1	-57.5	97.5	15	111.9	I291 F469 N511 T512 D518 Y519	I291-R515 HydrophobicContact CG2-CB 3.94Å; I291-R515 VanDerWaalsContact O-CZ 3.29Å; I291-R515 PolarHBondContact O-NE 3.46Å; I291-R515 PolarHBondContact O-NH2 2.56Å; F469-R515 PolarHBondContact O-NH1 3.44Å; N511-R515 WeakPolarHBondContact O-CB 3.32Å; N511-R515 PolarHBondContact O-N 3.38Å; N511-R515 VanDerWaalsContact O-N 3.15Å; T512-R515 PolarHBondContact O-N 2.88Å; R515-D518 PolarHBondContact O-N 3.24Å; R515-Y519 HydrophobicContact CG-CD2 3.96Å; R515-Y519 HydrophobicContact CG-CE2 3.78Å; R515-Y519 VanDerWaalsContact O-CD2 3.23Å; R515-Y519 WeakPolarHBondContact O-CD2 3.36Å; R515-Y519 PolarHBondContact O-N 2.94Å; R515-Y519 VanDerWaalsContact O-N 3.09Å
516	L	97.3	Very high	93.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.3	-39.1	178.2	-64.7	-178	0	0	0	111.8	I467 W473 P474 I492 T512 G513 Q514 D518 Y519 A520 F527 Y529	I467-L516 HydrophobicContact CD1-CD1 4.04Å; W473-L516 HydrophobicContact CB-CD2 3.68Å; W473-L516 HydrophobicContact CG-CD2 4.44Å; P474-L516 HydrophobicContact CG-CD2 4.31Å; I492-L516 HydrophobicContact CD1-CD1 4.41Å; T512-L516 HydrophobicContact CG2-CD1 4.14Å; T512-L516 HydrophobicContact CG2-CG 4.49Å; T512-L516 WeakPolarHBondContact O-CG 3.5Å; T512-L516 PolarHBondContact O-N 3.44Å; G513-L516 PolarHBondContact O-N 3.45Å; Q514-L516 VanDerWaalsContact C-N 3.28Å; Q514-L516 PolarHBondContact O-N 3.33Å; L516-D518 VanDerWaalsContact C-N 3.34Å; L516-D518 PolarHBondContact O-N 2.84Å; L516-Y519 PolarHBondContact O-N 2.71Å; L516-A520 WeakPolarHBondContact O-CB 3.41Å; L516-A520 PolarHBondContact O-N 3.35Å; L516-F527 HydrophobicContact CB-CE1 3.98Å; L516-F527 HydrophobicContact CB-CE2 4.49Å; L516-F527 HydrophobicContact CB-CZ 3.59Å; L516-Y529 HydrophobicContact CD1-CD2 4.25Å; L516-Y529 HydrophobicContact CD1-CE2 4.08Å
517	A	97.3	Very high	94.2	Very high	32 Å²	32	39.8 Å²	39.8	26%	0.264	21%	0.213	S	C	.	.	H	α-helix	trans	-62	-40.7	173.4	0	0	0	0	0	112	G513 Q514 A520 S521 F527	G513-A517 PolarHBondContact O-N 3.49Å; Q514-A517 WeakPolarHBondContact O-CB 3.17Å; Q514-A517 PolarHBondContact O-N 2.85Å; Q514-A517 VanDerWaalsContact O-N 3.13Å; A517-A520 PolarHBondContact O-N 3.48Å; A517-S521 WeakPolarHBondContact O-CB 3.44Å; A517-S521 PolarHBondContact O-N 3.36Å; A517-F527 HydrophobicContact CB-CD1 4.08Å; A517-F527 HydrophobicContact CB-CE1 4.07Å
518	D	96.5	Very high	94.8	Very high	44 Å²	44	42.6 Å²	42.6	24%	0.235	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-41.8	177.7	-62.8	-16.9	0	0	0	111.7	R292 Q514 R515 L516 M522	R292-D518 PolarHBondContact NH1-O 3.13Å; Q514-D518 PolarHBondContact NE2-OD1 3.01Å; Q514-D518 PolarHBondContact O-N 3.46Å; R515-D518 PolarHBondContact O-N 3.24Å; L516-D518 VanDerWaalsContact C-N 3.34Å; L516-D518 PolarHBondContact O-N 2.84Å; D518-M522 VanDerWaalsContact O-CB 3.28Å; D518-M522 WeakPolarHBondContact O-CB 3.38Å; D518-M522 PolarHBondContact O-N 3.48Å
519	Y	97.6	Very high	95.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.1	-42	174	-82.2	-62.7	0	0	0	112.2	R292 F296 D297 L300 L301 P474 R515 L516 S521 M522 F523	R292-Y519 HydrophobicContact CG-CE2 4.32Å; F296-Y519 VanDerWaalsContact C-OH 3.26Å; F296-Y519 WeakPolarHBondContact CB-OH 3.49Å; F296-Y519 PolarHBondContact O-OH 3.36Å; D297-Y519 PolarHBondContact N-OH 2.98Å; D297-Y519 WeakPolarHBondContact OD1-CE1 3.33Å; D297-Y519 VanDerWaalsContact OD1-CZ 3.23Å; D297-Y519 PolarHBondContact OD1-OH 3.4Å; L300-Y519 HydrophobicContact CD1-CE2 4.09Å; L301-Y519 HydrophobicContact CD1-CD1 4.34Å; L301-Y519 HydrophobicContact CD1-CE1 3.82Å; L301-Y519 HydrophobicContact CD2-CD1 4.05Å; L301-Y519 HydrophobicContact CD2-CE1 3.87Å; L301-Y519 HydrophobicContact CG-CD1 4.47Å; L301-Y519 HydrophobicContact CG-CE1 3.87Å; P474-Y519 HydrophobicContact CB-CD1 4.05Å; P474-Y519 HydrophobicContact CB-CD2 3.73Å; P474-Y519 HydrophobicContact CB-CE1 4.22Å; P474-Y519 HydrophobicContact CB-CE2 3.88Å; P474-Y519 HydrophobicContact CB-CG 3.82Å; P474-Y519 HydrophobicContact CG-CD2 3.42Å; P474-Y519 VanDerWaalsContact CG-CD2 3.42Å; P474-Y519 HydrophobicContact CG-CE2 3.57Å; P474-Y519 HydrophobicContact CG-CG 4.02Å; R515-Y519 HydrophobicContact CG-CD2 3.96Å; R515-Y519 HydrophobicContact CG-CE2 3.78Å; R515-Y519 VanDerWaalsContact O-CD2 3.23Å; R515-Y519 WeakPolarHBondContact O-CD2 3.36Å; R515-Y519 PolarHBondContact O-N 2.94Å; R515-Y519 VanDerWaalsContact O-N 3.09Å; L516-Y519 PolarHBondContact O-N 2.71Å; Y519-S521 VanDerWaalsContact C-N 3.35Å; Y519-S521 PolarHBondContact O-N 2.94Å; Y519-M522 HydrophobicContact CD1-SD 3.95Å; Y519-M522 HydrophobicContact CE1-SD 4.28Å; Y519-M522 WeakPolarHBondContact O-CB 3.42Å; Y519-M522 PolarHBondContact O-N 2.95Å; Y519-F523 HydrophobicContact CD1-CE2 4.06Å; Y519-F523 WeakPolarHBondContact O-CD2 3.35Å; Y519-F523 PolarHBondContact O-N 2.95Å; Y519-F523 VanDerWaalsContact O-N 3.11Å
520	A	98.1	Very high	95.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-43.9	177.2	0	0	0	0	0	111.6	L477 L516 A517 M522 F523 N524 V525 F527	L477-A520 HydrophobicContact CD1-CB 4.2Å; L477-A520 HydrophobicContact CD2-CB 4.4Å; L516-A520 WeakPolarHBondContact O-CB 3.41Å; L516-A520 PolarHBondContact O-N 3.35Å; A517-A520 PolarHBondContact O-N 3.48Å; A520-M522 PolarHBondContact O-N 3.32Å; A520-F523 CarbonylContact O-C 3.48Å; A520-F523 PolarHBondContact O-N 2.99Å; A520-N524 PolarHBondContact O-N 2.95Å; A520-V525 HydrophobicContact CB-CB 4.32Å; A520-V525 PolarHBondContact O-N 3.3Å; A520-F527 HydrophobicContact CB-CB 3.33Å; A520-F527 HydrophobicContact CB-CD1 3.93Å; A520-F527 HydrophobicContact CB-CD2 3.98Å; A520-F527 HydrophobicContact CB-CG 3.48Å; A520-F527 VanDerWaalsContact CB-CG 3.48Å
521	S	97.9	Very high	96.5	Very high	87 Å²	87	38.1 Å²	38.1	61%	0.608	21%	0.21	S	C	*	.	H	α-helix	trans	-61.7	-43	174.9	-174.5	0	0	0	0	111.7	A517 Y519 F523 N524	A517-S521 WeakPolarHBondContact O-CB 3.44Å; A517-S521 PolarHBondContact O-N 3.36Å; Y519-S521 VanDerWaalsContact C-N 3.35Å; Y519-S521 PolarHBondContact O-N 2.94Å; S521-F523 PolarHBondContact O-N 3.4Å; S521-N524 PolarHBondContact O-N 2.93Å; S521-N524 VanDerWaalsContact O-N 3.17Å
522	M	96.3	Very high	96.8	Very high	29 Å²	29	38.5 Å²	38.5	14%	0.143	21%	0.212	C	C	.	.	H	α-helix	trans	-57.7	-35.6	176.6	170.5	-170.1	176.3	0	0	112.6	Y51 P52 R292 L301 D518 Y519 A520	Y51-M522 HydrophobicContact CD1-CE 2.98Å; Y51-M522 HydrophobicContact CD2-CE 3.93Å; Y51-M522 HydrophobicContact CE1-CE 3.68Å; Y51-M522 HydrophobicContact CE2-CE 4.49Å; Y51-M522 HydrophobicContact CG-CE 3.12Å; P52-M522 HydrophobicContact CG-CG 4.35Å; R292-M522 PolarHBondContact NH2-SD 3.41Å; L301-M522 HydrophobicContact CD1-CE 3.61Å; L301-M522 HydrophobicContact CD1-SD 4.19Å; D518-M522 VanDerWaalsContact O-CB 3.28Å; D518-M522 WeakPolarHBondContact O-CB 3.38Å; D518-M522 PolarHBondContact O-N 3.48Å; Y519-M522 HydrophobicContact CD1-SD 3.95Å; Y519-M522 HydrophobicContact CE1-SD 4.28Å; Y519-M522 WeakPolarHBondContact O-CB 3.42Å; Y519-M522 PolarHBondContact O-N 2.95Å; A520-M522 PolarHBondContact O-N 3.32Å
523	F	96.6	Very high	96.9	Very high	28 Å²	28	40.2 Å²	40.2	12%	0.123	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	6.4	-179.8	-60.4	-52.5	0	0	0	114.1	Y51 L301 L477 E478 A481 Y519 A520 S521 V525	Y51-F523 HydrophobicContact CE1-CE1 4.37Å; L301-F523 HydrophobicContact CD1-CZ 3.68Å; L301-F523 HydrophobicContact CD2-CE2 3.8Å; L301-F523 HydrophobicContact CD2-CZ 3.59Å; L301-F523 HydrophobicContact CG-CZ 4.26Å; L477-F523 HydrophobicContact CB-CD2 4.08Å; E478-F523 HydrophobicContact CB-CD2 4.26Å; E478-F523 HydrophobicContact CB-CE1 4.12Å; E478-F523 HydrophobicContact CB-CE2 3.76Å; E478-F523 HydrophobicContact CB-CZ 3.68Å; E478-F523 HydrophobicContact CG-CD1 4.4Å; E478-F523 HydrophobicContact CG-CE1 3.8Å; E478-F523 HydrophobicContact CG-CE2 4.36Å; E478-F523 HydrophobicContact CG-CZ 3.78Å; A481-F523 HydrophobicContact CB-CB 3.78Å; A481-F523 WeakPolarHBondContact CB-O 3.44Å; Y519-F523 HydrophobicContact CD1-CE2 4.06Å; Y519-F523 WeakPolarHBondContact O-CD2 3.35Å; Y519-F523 PolarHBondContact O-N 2.95Å; Y519-F523 VanDerWaalsContact O-N 3.11Å; A520-F523 CarbonylContact O-C 3.48Å; A520-F523 PolarHBondContact O-N 2.99Å; S521-F523 PolarHBondContact O-N 3.4Å; F523-V525 HydrophobicContact CB-CG2 3.95Å; F523-V525 PolarHBondContact O-N 3.46Å
524	N	97.2	Very high	96.8	Very high	133 Å²	133	41.9 Å²	41.9	71%	0.711	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	37.3	-175	-55.9	-61.2	0	0	0	113.5	A520 S521	A520-N524 PolarHBondContact O-N 2.95Å; S521-N524 PolarHBondContact O-N 2.93Å; S521-N524 VanDerWaalsContact O-N 3.17Å
525	V	98.2	Very high	96.7	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.042	23%	0.232	C	C	.	.			trans	-90.4	120.9	174.8	179	0	0	0	0	108.5	L477 A481 P487 V490 A520 F523 F527	L477-V525 HydrophobicContact CD2-CB 4.42Å; L477-V525 HydrophobicContact CD2-CG1 4Å; A481-V525 HydrophobicContact CB-CG2 3.97Å; P487-V525 HydrophobicContact CB-CB 4.35Å; P487-V525 HydrophobicContact CB-CG1 4.28Å; P487-V525 HydrophobicContact CB-CG2 3.89Å; P487-V525 HydrophobicContact CG-CG2 4.48Å; V490-V525 HydrophobicContact CB-CG1 4.08Å; V490-V525 HydrophobicContact CG2-CG1 3.58Å; A520-V525 HydrophobicContact CB-CB 4.32Å; A520-V525 PolarHBondContact O-N 3.3Å; F523-V525 HydrophobicContact CB-CG2 3.95Å; F523-V525 PolarHBondContact O-N 3.46Å; V525-F527 PolarHBondContact O-N 2.76Å
526	P	98.2	Very high	96.8	Very high	70 Å²	70	41.9 Å²	41.9	46%	0.455	23%	0.233	S	C	.	.			trans	-60.9	122.1	173.1	-18.8	30.5	0	0	0	109.7	K489 V490	K489-P526 HydrophobicContact CB-CB 4.37Å; K489-P526 HydrophobicContact CG-CB 4.3Å; V490-P526 PolarHBondContact N-O 3.33Å
527	F	98.6	Very high	96.6	Very high	42 Å²	42	44 Å²	44	18%	0.184	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	138.3	-164.2	-179.3	-103.9	0	0	0	114.2	L477 V490 I492 L516 A517 A520 V525 Y529	L477-F527 HydrophobicContact CD2-CD2 4.41Å; V490-F527 HydrophobicContact CB-CD2 4.21Å; V490-F527 HydrophobicContact CG1-CD2 4.1Å; V490-F527 HydrophobicContact CG1-CE2 4.33Å; V490-F527 CarbonylContact O-C 3.29Å; V490-F527 VanDerWaalsContact O-CA 3.27Å; V490-F527 WeakPolarHBondContact O-CA 3.32Å; V490-F527 WeakPolarHBondContact O-CD2 3.34Å; I492-F527 HydrophobicContact CB-CE2 4.25Å; I492-F527 HydrophobicContact CB-CZ 4.48Å; I492-F527 HydrophobicContact CD1-CE2 3.83Å; I492-F527 HydrophobicContact CD1-CZ 4.42Å; I492-F527 HydrophobicContact CG1-CE2 3.88Å; L516-F527 HydrophobicContact CB-CE1 3.98Å; L516-F527 HydrophobicContact CB-CE2 4.49Å; L516-F527 HydrophobicContact CB-CZ 3.59Å; A517-F527 HydrophobicContact CB-CD1 4.08Å; A517-F527 HydrophobicContact CB-CE1 4.07Å; A520-F527 HydrophobicContact CB-CB 3.33Å; A520-F527 HydrophobicContact CB-CD1 3.93Å; A520-F527 HydrophobicContact CB-CD2 3.98Å; A520-F527 HydrophobicContact CB-CG 3.48Å; A520-F527 VanDerWaalsContact CB-CG 3.48Å; V525-F527 PolarHBondContact O-N 2.76Å; F527-Y529 HydrophobicContact CZ-CD2 4.24Å; F527-Y529 HydrophobicContact CZ-CG 4.45Å
528	E	98	Very high	96.5	Very high	87 Å²	87	46 Å²	46	41%	0.407	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.8	173.4	-72.3	172.8	-179	0	0	110	K489 V490 R491 I492	K489-E528 WeakPolarHBondContact CE-OE1 3.27Å; K489-E528 WeakPolarHBondContact CE-OE2 3.18Å; K489-E528 IonicContact NZ-OE1 3.85Å; K489-E528 PolarHBondContact NZ-OE1 3.3Å; K489-E528 IonicContact NZ-OE2 2.73Å; K489-E528 PolarHBondContact NZ-OE2 3.03Å; K489-E528 VanDerWaalsContact NZ-OE2 3.14Å; V490-E528 PolarHBondContact O-N 2.62Å; R491-E528 CarbonylContact C-O 3.55Å; R491-E528 WeakPolarHBondContact CA-O 3.43Å; R491-E528 HydrophobicContact CB-CB 4.35Å; R491-E528 WeakPolarHBondContact CD-OE2 3.24Å; R491-E528 HydrophobicContact CG-CB 4.03Å; I492-E528 PolarHBondContact N-O 3.33Å
529	Y	98	Very high	96.5	Very high	54 Å²	54	44.3 Å²	44.3	21%	0.212	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.3	179.5	-177.8	-102.9	0	0	0	111.9	I467 I492 N508 L516 F527 A531	I467-Y529 HydrophobicContact CD1-CE2 3.87Å; I492-Y529 HydrophobicContact CB-CD2 4.1Å; I492-Y529 HydrophobicContact CG2-CD2 4.14Å; I492-Y529 HydrophobicContact CG2-CE2 4.12Å; I492-Y529 WeakPolarHBondContact O-CA 3.45Å; I492-Y529 WeakPolarHBondContact O-CD2 3.31Å; N508-Y529 PolarHBondContact O-OH 3.05Å; N508-Y529 PolarHBondContact OD1-OH 3.23Å; L516-Y529 HydrophobicContact CD1-CD2 4.25Å; L516-Y529 HydrophobicContact CD1-CE2 4.08Å; F527-Y529 HydrophobicContact CZ-CD2 4.24Å; F527-Y529 HydrophobicContact CZ-CG 4.45Å; Y529-A531 HydrophobicContact CE1-CB 3.8Å
530	Q	97.2	Very high	96.4	Very high	48 Å²	48	51.3 Å²	51.3	22%	0.224	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.3	172.6	-178.3	-176.8	-6.9	0	0	109.2	I492 T493 G494 I532 D543 N545	I492-Q530 PolarHBondContact O-N 3.01Å; T493-Q530 CarbonylContact C-O 3.23Å; T493-Q530 VanDerWaalsContact CA-O 3.27Å; T493-Q530 WeakPolarHBondContact CA-O 3.43Å; T493-Q530 HydrophobicContact CG2-CB 4.32Å; T493-Q530 HydrophobicContact CG2-CG 4.32Å; G494-Q530 PolarHBondContact N-O 3.41Å; Q530-I532 HydrophobicContact CG-CG1 4.4Å; Q530-D543 PolarHBondContact NE2-O 3.27Å; Q530-N545 PolarHBondContact NE2-ND2 3.3Å; Q530-N545 PolarHBondContact OE1-ND2 3.09Å; Q530-N545 VanDerWaalsContact OE1-ND2 3.09Å
531	A	96.8	Very high	96.3	Very high	31 Å²	31	53.6 Å²	53.6	26%	0.256	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.2	171.2	0	0	0	0	0	110.6	N508 K509 Y529	N508-A531 HydrophobicContact CB-CB 4.42Å; K509-A531 HydrophobicContact CB-CB 3.84Å; K509-A531 HydrophobicContact CG-CB 4.26Å; Y529-A531 HydrophobicContact CE1-CB 3.8Å
532	I	96	Very high	96.1	Very high	22 Å²	22	55.4 Å²	55.4	11%	0.113	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	118.6	168.2	-61.4	178.5	0	0	0	107.9	T493 G494 I495 D496 N508 Q530 I539 L544	T493-I532 HydrophobicContact CG2-CD1 3.6Å; T493-I532 HydrophobicContact CG2-CG1 4Å; G494-I532 PolarHBondContact O-N 3.24Å; I495-I532 WeakPolarHBondContact CA-O 3.49Å; I495-I532 HydrophobicContact CG1-CB 4.15Å; I495-I532 HydrophobicContact CG1-CD1 4.48Å; D496-I532 PolarHBondContact N-O 3.2Å; N508-I532 PolarHBondContact ND2-O 3Å; Q530-I532 HydrophobicContact CG-CG1 4.4Å; I532-I539 HydrophobicContact CG2-CD1 3.99Å; I532-I539 HydrophobicContact CG2-CG1 4.31Å; I532-L544 HydrophobicContact CD1-CD2 3.84Å
533	S	94.3	Very high	96.1	Very high	36 Å²	36	56.6 Å²	56.6	25%	0.252	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	89.2	175.6	-71.6	0	0	0	0	109.9	D496	D496-S533 VanDerWaalsContact O-CA 3.3Å; D496-S533 WeakPolarHBondContact O-CA 3.27Å
534	S	93	Very high	96.1	Very high	39 Å²	39	55.2 Å²	55.2	27%	0.273	28%	0.281	S	S	.	.	S	Bend	trans	-149	168	-176.8	-166.3	0	0	0	0	111.5	D496 W536 T538	D496-S534 PolarHBondContact O-N 2.97Å; S534-W536 PolarHBondContact O-N 2.91Å; S534-T538 PolarHBondContact OG-OG1 2.87Å
535	K	93.5	Very high	96	Very high	83 Å²	83	53.6 Å²	53.6	36%	0.361	27%	0.272	S	S	.	.			trans	-63.6	127.9	164.1	-70.6	-176.7	-178.2	176.8	0	108.6	E537 T538	K535-E537 VanDerWaalsContact C-N 3.27Å; K535-E537 PolarHBondContact O-N 3.41Å; K535-T538 HydrophobicContact CB-CG2 3.89Å; K535-T538 PolarHBondContact O-N 3.46Å; K535-T538 PolarHBondContact O-OG1 2.99Å
536	W	95.6	Very high	95.9	Very high	7 Å²	7	56 Å²	56	3%	0.027	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-64	-36.9	-168.2	-61.3	2.5	0	0	0	112.3	F465 I495 S534 T538 I539 R559 M560 L563 V577	F465-W536 HydrophobicContact CB-CE3 4.11Å; F465-W536 HydrophobicContact CB-CH2 3.79Å; F465-W536 HydrophobicContact CB-CZ2 4.39Å; F465-W536 HydrophobicContact CB-CZ3 3.69Å; F465-W536 HydrophobicContact CD1-CB 4.21Å; F465-W536 AromaticContact CD1-CD2 3.76Å; F465-W536 HydrophobicContact CD1-CD2 3.76Å; F465-W536 AromaticContact CD1-CE3 3.68Å; F465-W536 HydrophobicContact CD1-CE3 3.68Å; F465-W536 HydrophobicContact CD1-CG 4.01Å; F465-W536 HydrophobicContact CD1-CZ3 4.16Å; F465-W536 HydrophobicContact CE1-CB 4.15Å; F465-W536 HydrophobicContact CE1-CG 4.4Å; F465-W536 HydrophobicContact CG-CE3 4.3Å; F465-W536 HydrophobicContact CG-CZ3 4.35Å; F465-W536 WeakPolarHBondContact O-CH2 3.49Å; I495-W536 HydrophobicContact CG2-CG 4.32Å; S534-W536 PolarHBondContact O-N 2.91Å; W536-T538 PolarHBondContact O-N 2.96Å; W536-T538 VanDerWaalsContact O-N 3.13Å; W536-I539 WeakPolarHBondContact O-CB 3.44Å; W536-I539 PolarHBondContact O-N 2.62Å; W536-R559 HydrophobicContact CH2-CB 3.35Å; W536-R559 HydrophobicContact CH2-CG 4.18Å; W536-R559 HydrophobicContact CZ2-CB 4.24Å; W536-R559 HydrophobicContact CZ3-CB 4.07Å; W536-M560 HydrophobicContact CZ3-CG 4.5Å; W536-L563 HydrophobicContact CB-CD2 4.07Å; W536-L563 HydrophobicContact CD2-CD2 4.23Å; W536-L563 HydrophobicContact CE3-CD1 4.13Å; W536-L563 HydrophobicContact CE3-CD2 3.94Å; W536-L563 HydrophobicContact CE3-CG 4.22Å; W536-L563 HydrophobicContact CG-CD2 4.34Å; W536-V577 HydrophobicContact CB-CG2 3.69Å
537	E	94.8	Very high	95.8	Very high	45 Å²	45	56 Å²	56	21%	0.21	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-68.9	-4.9	178.7	68.2	-92.5	-151.4	0	0	114.3	K535 A573 R576 V577	K535-E537 VanDerWaalsContact C-N 3.27Å; K535-E537 PolarHBondContact O-N 3.41Å; E537-A573 HydrophobicContact CB-CB 3.98Å; E537-A573 HydrophobicContact CG-CB 4.1Å; E537-R576 HydrophobicContact CB-CB 4.09Å; E537-V577 HydrophobicContact CB-CG2 4.08Å
538	T	95.2	Very high	95.4	Very high	74 Å²	74	63.4 Å²	63.4	45%	0.454	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-104.5	-7.8	177.3	68.2	0	0	0	0	113	S534 K535 W536 R540	S534-T538 PolarHBondContact OG-OG1 2.87Å; K535-T538 HydrophobicContact CB-CG2 3.89Å; K535-T538 PolarHBondContact O-N 3.46Å; K535-T538 PolarHBondContact O-OG1 2.99Å; W536-T538 PolarHBondContact O-N 2.96Å; W536-T538 VanDerWaalsContact O-N 3.13Å; T538-R540 PolarHBondContact O-N 3.17Å
539	I	96.3	Very high	95.3	Very high	7 Å²	7	64.8 Å²	64.8	4%	0.036	33%	0.325	C	S	.	.			trans	-72.8	128	-178.4	-63	173.9	0	0	0	108.9	F465 I495 I532 W536 L544	F465-I539 HydrophobicContact CE1-CD1 4.31Å; I495-I539 HydrophobicContact CB-CD1 4.38Å; I495-I539 HydrophobicContact CD1-CD1 3.84Å; I495-I539 HydrophobicContact CG1-CD1 4.09Å; I495-I539 HydrophobicContact CG2-CD1 3.39Å; I532-I539 HydrophobicContact CG2-CD1 3.99Å; I532-I539 HydrophobicContact CG2-CG1 4.31Å; W536-I539 WeakPolarHBondContact O-CB 3.44Å; W536-I539 PolarHBondContact O-N 2.62Å; I539-L544 HydrophobicContact CG2-CD2 4Å; I539-L544 HydrophobicContact CG2-CG 4.23Å
540	R	95.6	Very high	95.2	Very high	147 Å²	147	63.1 Å²	63.1	56%	0.555	32%	0.32	S	S	*	.			trans	-99.3	162.6	174.9	-49.2	174.7	-63.1	158.7	11.4	110.3	T538 E542 D543	T538-R540 PolarHBondContact O-N 3.17Å; R540-E542 VanDerWaalsContact C-N 3.25Å; R540-E542 WeakPolarHBondContact CB-OE2 3.44Å; R540-E542 PolarHBondContact O-N 3.35Å; R540-D543 WeakPolarHBondContact CB-OD2 3.28Å; R540-D543 IonicContact CZ-OD1 2.59Å; R540-D543 PolarHBondContact N-OD2 2.71Å; R540-D543 IonicContact NE-OD1 2.77Å; R540-D543 IonicContact NE-OD2 3.4Å; R540-D543 IonicContact NH2-OD1 3.17Å; R540-D543 PolarHBondContact NH2-OD1 2.67Å; R540-D543 WeakPolarHBondContact O-CB 3.49Å; R540-D543 PolarHBondContact O-N 3.16Å
541	I	95.5	Very high	95.3	Very high	49 Å²	49	62 Å²	62	25%	0.251	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-62.7	-36.8	-177.9	-60.6	-60.4	0	0	0	111.1	D543 L544 I546 T580 M583 M584	I541-D543 PolarHBondContact O-N 3.5Å; I541-L544 WeakPolarHBondContact O-CB 3.48Å; I541-L544 PolarHBondContact O-N 3.13Å; I541-L544 VanDerWaalsContact O-N 3.15Å; I541-I546 HydrophobicContact CG2-CD1 4.23Å; I541-T580 HydrophobicContact CD1-CG2 3.76Å; I541-M583 HydrophobicContact CD1-CB 3.99Å; I541-M583 HydrophobicContact CG1-CB 4.2Å; I541-M584 HydrophobicContact CD1-CB 4.22Å; I541-M584 HydrophobicContact CD1-CG 3.4Å; I541-M584 VanDerWaalsContact CD1-CG 3.4Å
542	E	94.3	Very high	95.4	Very high	125 Å²	125	61 Å²	61	58%	0.584	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-65.9	-28.3	-178.5	-53	73.2	-149.1	0	0	111.8	R540 L544 N545	R540-E542 VanDerWaalsContact C-N 3.25Å; R540-E542 WeakPolarHBondContact CB-OE2 3.44Å; R540-E542 PolarHBondContact O-N 3.35Å; E542-L544 PolarHBondContact O-N 3.36Å; E542-N545 PolarHBondContact O-N 3.21Å
543	D	95.3	Very high	95.5	Very high	54 Å²	54	60 Å²	60	29%	0.289	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-69.8	-16.5	-179.6	-51.6	-35.6	0	0	0	111.9	Q530 R540 I541	Q530-D543 PolarHBondContact NE2-O 3.27Å; R540-D543 WeakPolarHBondContact CB-OD2 3.28Å; R540-D543 IonicContact CZ-OD1 2.59Å; R540-D543 PolarHBondContact N-OD2 2.71Å; R540-D543 IonicContact NE-OD1 2.77Å; R540-D543 IonicContact NE-OD2 3.4Å; R540-D543 IonicContact NH2-OD1 3.17Å; R540-D543 PolarHBondContact NH2-OD1 2.67Å; R540-D543 WeakPolarHBondContact O-CB 3.49Å; R540-D543 PolarHBondContact O-N 3.16Å; I541-D543 PolarHBondContact O-N 3.5Å
544	L	96.3	Very high	95.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-91.3	-13.4	-175.2	-59.3	169.5	0	0	0	113.8	H461 V463 T493 I495 I532 I539 I541 E542 I546 M584	H461-L544 PolarHBondContact CE1-O 3.25Å; H461-L544 VanDerWaalsContact CE1-O 3.25Å; V463-L544 HydrophobicContact CG1-CD2 4.13Å; T493-L544 HydrophobicContact CG2-CD2 4.09Å; I495-L544 HydrophobicContact CD1-CD2 4.02Å; I532-L544 HydrophobicContact CD1-CD2 3.84Å; I539-L544 HydrophobicContact CG2-CD2 4Å; I539-L544 HydrophobicContact CG2-CG 4.23Å; I541-L544 WeakPolarHBondContact O-CB 3.48Å; I541-L544 PolarHBondContact O-N 3.13Å; I541-L544 VanDerWaalsContact O-N 3.15Å; E542-L544 PolarHBondContact O-N 3.36Å; L544-I546 VanDerWaalsContact C-N 3.3Å; L544-I546 HydrophobicContact CB-CD1 4.2Å; L544-I546 HydrophobicContact CB-CG1 3.9Å; L544-I546 HydrophobicContact CD1-CD1 4.17Å; L544-I546 PolarHBondContact O-N 3.31Å; L544-M584 HydrophobicContact CD1-CE 3.27Å; L544-M584 HydrophobicContact CD1-CG 3.85Å; L544-M584 HydrophobicContact CD1-SD 3.67Å
545	N	95.2	Very high	96	Very high	98 Å²	98	56.5 Å²	56.5	52%	0.524	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	42.1	-178.1	-55.2	-58.7	0	0	0	113.4	R491 Q530 E542 D547	R491-N545 VanDerWaalsContact CZ-O 3.29Å; R491-N545 PolarHBondContact NH1-O 2.7Å; R491-N545 PolarHBondContact NH2-O 3.12Å; Q530-N545 PolarHBondContact NE2-ND2 3.3Å; Q530-N545 PolarHBondContact OE1-ND2 3.09Å; Q530-N545 VanDerWaalsContact OE1-ND2 3.09Å; E542-N545 PolarHBondContact O-N 3.21Å; N545-D547 PolarHBondContact O-N 3.46Å
546	I	96.4	Very high	96.2	Very high	58 Å²	58	52.5 Å²	52.5	30%	0.297	26%	0.26	S	S	.	.			trans	-63.5	130.8	-177.8	-62.2	167.6	0	0	0	109.4	I541 L544 L552 M584	I541-I546 HydrophobicContact CG2-CD1 4.23Å; L544-I546 VanDerWaalsContact C-N 3.3Å; L544-I546 HydrophobicContact CB-CD1 4.2Å; L544-I546 HydrophobicContact CB-CG1 3.9Å; L544-I546 HydrophobicContact CD1-CD1 4.17Å; L544-I546 PolarHBondContact O-N 3.31Å; I546-L552 HydrophobicContact CD1-CD2 3.81Å; I546-L552 HydrophobicContact CG1-CD1 4.3Å; I546-L552 HydrophobicContact CG1-CD2 4.31Å; I546-L552 HydrophobicContact CG2-CD1 4.46Å; I546-L552 HydrophobicContact CG2-CD2 4.04Å; I546-M584 HydrophobicContact CD1-CB 4.09Å; I546-M584 HydrophobicContact CD1-CG 4Å
547	D	95.2	Very high	96.3	Very high	70 Å²	70	52.9 Å²	52.9	37%	0.374	26%	0.262	S	S	.	.			trans	-103	134.1	176.4	-173.1	-28.7	0	0	0	108.2	N545 D549 D550	N545-D547 PolarHBondContact O-N 3.46Å; D547-D549 PolarHBondContact O-N 3.33Å; D547-D549 WeakPolarHBondContact OD1-CB 3.03Å; D547-D549 PolarHBondContact OD1-N 3.16Å; D547-D550 HydrophobicContact CB-CB 4.38Å; D547-D550 PolarHBondContact O-N 3.01Å; D547-D550 VanDerWaalsContact O-N 3.16Å
548	E	92.1	Very high	96.3	Very high	198 Å²	198	52 Å²	52	93%	0.925	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.2	-178.5	-63.6	-172.5	167.2	0	0	112.9	D550	E548-D550 VanDerWaalsContact C-N 3.33Å
549	D	94.2	Very high	96.3	Very high	115 Å²	115	51.9 Å²	51.9	62%	0.615	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-20	176.4	-79.4	-11.4	0	0	0	113.2	K459 D547	K459-D549 HydrophobicContact CD-CB 4.25Å; K459-D549 IonicContact NZ-OD2 3.29Å; K459-D549 PolarHBondContact NZ-OD2 2.81Å; D547-D549 PolarHBondContact O-N 3.33Å; D547-D549 WeakPolarHBondContact OD1-CB 3.03Å; D547-D549 PolarHBondContact OD1-N 3.16Å
550	D	97	Very high	96.3	Very high	20 Å²	20	51.7 Å²	51.7	11%	0.107	25%	0.249	C	C	.	.	S	Bend	trans	-82.7	137.1	-174.7	-73.5	-14.1	0	0	0	110.7	K459 H461 R491 D547 E548 L552	K459-D550 WeakPolarHBondContact CB-OD1 3.29Å; K459-D550 WeakPolarHBondContact CD-OD1 3.37Å; H461-D550 HydrophobicContact CB-CB 3.81Å; R491-D550 IonicContact CZ-OD2 3.94Å; R491-D550 IonicContact NE-OD2 2.87Å; R491-D550 PolarHBondContact NE-OD2 3.19Å; R491-D550 IonicContact NH2-OD2 3.06Å; R491-D550 PolarHBondContact NH2-OD2 3.35Å; D547-D550 HydrophobicContact CB-CB 4.38Å; D547-D550 PolarHBondContact O-N 3.01Å; D547-D550 VanDerWaalsContact O-N 3.16Å; E548-D550 VanDerWaalsContact C-N 3.33Å; D550-L552 PolarHBondContact O-N 3.37Å; D550-L552 VanDerWaalsContact O-N 3.08Å
551	V	98.3	Very high	96.3	Very high	23 Å²	23	45.6 Å²	45.6	14%	0.139	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	108.6	164.7	-179.4	0	0	0	0	108.3	V453 L454 K457 K459 V460 H461 I553 K587	V453-V551 HydrophobicContact CG1-CG1 3.79Å; L454-V551 HydrophobicContact CD2-CB 3.85Å; L454-V551 HydrophobicContact CD2-CG1 3.88Å; L454-V551 HydrophobicContact CD2-CG2 4.29Å; K457-V551 HydrophobicContact CB-CG2 3.96Å; K457-V551 HydrophobicContact CD-CG2 3.95Å; K457-V551 HydrophobicContact CG-CG2 3.81Å; K459-V551 PolarHBondContact O-N 2.95Å; V460-V551 WeakPolarHBondContact CG2-O 3.45Å; H461-V551 PolarHBondContact N-O 3.48Å; V551-I553 HydrophobicContact CG1-CD1 4.14Å; V551-K587 HydrophobicContact CG1-CB 4.13Å; V551-K587 HydrophobicContact CG1-CG 4.33Å
552	L	98.7	Very high	96.2	Very high	12 Å²	12	44.8 Å²	44.8	6%	0.063	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	126.1	-178.4	-173.5	66.3	0	0	0	112.1	H461 V463 I546 D550 M584 P586 K587	H461-L552 HydrophobicContact CB-CD1 4.1Å; H461-L552 WeakPolarHBondContact O-CA 3.35Å; V463-L552 HydrophobicContact CG2-CD1 3.97Å; I546-L552 HydrophobicContact CD1-CD2 3.81Å; I546-L552 HydrophobicContact CG1-CD1 4.3Å; I546-L552 HydrophobicContact CG1-CD2 4.31Å; I546-L552 HydrophobicContact CG2-CD1 4.46Å; I546-L552 HydrophobicContact CG2-CD2 4.04Å; D550-L552 PolarHBondContact O-N 3.37Å; D550-L552 VanDerWaalsContact O-N 3.08Å; L552-M584 HydrophobicContact CD2-CB 3.98Å; L552-M584 WeakPolarHBondContact CD2-O 3.27Å; L552-P586 HydrophobicContact CD2-CB 4.36Å; L552-P586 HydrophobicContact CG-CB 4.3Å; L552-K587 WeakPolarHBondContact O-CB 3.42Å; L552-K587 PolarHBondContact O-N 3.2Å
553	I	98.8	Very high	96.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.5	176.2	-53.1	-63.7	0	0	0	108	I450 V453 V460 H461 I462 V463 V551 V588	I450-I553 HydrophobicContact CD1-CG2 3.89Å; I450-I553 HydrophobicContact CG1-CG2 3.76Å; I450-I553 HydrophobicContact CG2-CG1 4.5Å; V453-I553 HydrophobicContact CB-CD1 4.43Å; V453-I553 HydrophobicContact CG1-CD1 3.9Å; V460-I553 HydrophobicContact CG2-CG1 3.91Å; H461-I553 PolarHBondContact O-N 3.38Å; I462-I553 CarbonylContact C-O 3.57Å; I462-I553 WeakPolarHBondContact CA-O 3.45Å; I462-I553 HydrophobicContact CG1-CB 4.28Å; I462-I553 HydrophobicContact CG2-CG2 4.48Å; V463-I553 PolarHBondContact N-O 3.32Å; V551-I553 HydrophobicContact CG1-CD1 4.14Å; I553-V588 HydrophobicContact CD1-CG1 3.63Å; I553-V588 HydrophobicContact CG2-CG1 4.03Å
554	V	98.8	Very high	96.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.4	167.7	177.1	0	0	0	0	108.8	V463 F465 I581 M584 P586 V588 F589 V590	V463-V554 HydrophobicContact CB-CG2 4.3Å; V463-V554 CarbonylContact O-C 3.56Å; V463-V554 WeakPolarHBondContact O-CA 2.97Å; F465-V554 HydrophobicContact CD2-CG1 3.88Å; F465-V554 HydrophobicContact CE2-CG1 4.01Å; V554-I581 HydrophobicContact CB-CG2 4.44Å; V554-I581 HydrophobicContact CG1-CD1 4.11Å; V554-I581 HydrophobicContact CG1-CG1 4.08Å; V554-I581 HydrophobicContact CG1-CG2 4.13Å; V554-I581 HydrophobicContact CG2-CG2 4.48Å; V554-M584 HydrophobicContact CG2-SD 3.78Å; V554-P586 HydrophobicContact CB-CB 4.29Å; V554-P586 HydrophobicContact CB-CG 4.43Å; V554-P586 HydrophobicContact CG2-CB 3.75Å; V554-P586 HydrophobicContact CG2-CG 3.99Å; V554-V588 PolarHBondContact N-O 3.38Å; V554-F589 HydrophobicContact CB-CB 4.31Å; V554-F589 HydrophobicContact CB-CD2 3.93Å; V554-F589 HydrophobicContact CB-CG 4.44Å; V554-F589 HydrophobicContact CG1-CD2 3.58Å; V554-F589 HydrophobicContact CG1-CE2 4Å; V554-F589 HydrophobicContact CG1-CG 4.38Å; V554-F589 CarbonylContact O-C 3.59Å; V554-F589 VanDerWaalsContact O-CA 3.31Å; V554-F589 WeakPolarHBondContact O-CA 3.23Å; V554-V590 PolarHBondContact O-N 3.28Å
555	N	98.8	Very high	96.1	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.1	177.6	-177.3	72.1	0	0	0	110	S446 V463 D464 F465 Q472 W473	S446-N555 PolarHBondContact OG-OD1 3.09Å; V463-N555 PolarHBondContact O-N 2.96Å; D464-N555 PolarHBondContact OD1-ND2 2.86Å; F465-N555 PolarHBondContact N-O 3.16Å; Q472-N555 PolarHBondContact OE1-ND2 3.48Å; W473-N555 HydrophobicContact CH2-CB 4.01Å; W473-N555 HydrophobicContact CZ2-CB 4.2Å
556	C	98.5	Very high	96	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	108.1	169.9	-176.2	0	0	0	0	110.1	F465 M560 F589 V590 G592	F465-C556 HydrophobicContact CB-CB 3.97Å; C556-M560 HydrophobicContact CB-CE 4.14Å; C556-M560 WeakPolarHBondContact SG-CG 3.46Å; C556-F589 HydrophobicContact CB-CE2 3.95Å; C556-F589 HydrophobicContact CB-CZ 4.49Å; C556-V590 PolarHBondContact N-O 2.85Å; C556-G592 PolarHBondContact O-N 3.4Å
557	I	97.7	Very high	95.7	Very high	14 Å²	14	37.7 Å²	37.7	7%	0.072	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	110.7	-174.7	-54.9	-59.9	0	0	0	111.2	L439 R559 V590 I719	L439-I557 HydrophobicContact CD1-CG2 4.19Å; I557-R559 VanDerWaalsContact C-N 3.28Å; I557-R559 VanDerWaalsContact O-CG 3.31Å; I557-R559 WeakPolarHBondContact O-CG 3.34Å; I557-R559 PolarHBondContact O-N 2.8Å; I557-V590 HydrophobicContact CD1-CG1 4.04Å; I557-I719 HydrophobicContact CD1-CD1 3.68Å
558	D	95.3	Very high	95.4	Very high	26 Å²	26	37.7 Å²	37.7	14%	0.139	20%	0.196	C	C	.	.	S	Bend	trans	66.8	17.8	173.5	-61.7	-24.4	0	0	0	115.7	K561 G592 V594 N717	D558-K561 WeakPolarHBondContact O-CE 3.43Å; D558-G592 PolarHBondContact N-O 2.95Å; D558-V594 HydrophobicContact CB-CG2 3.87Å; D558-V594 PolarHBondContact OD1-N 3Å; D558-N717 PolarHBondContact OD1-ND2 3.49Å; D558-N717 PolarHBondContact OD2-ND2 3.15Å
559	R	95.2	Very high	95.4	Very high	73 Å²	73	30.9 Å²	30.9	28%	0.275	17%	0.171	S	C	.	.			trans	-109.9	-28.8	-172.9	-55.2	-59.1	-67.6	177.4	-4.8	115.7	D496 W536 I557 K561 N562	D496-R559 IonicContact OD1-NH2 3.84Å; W536-R559 HydrophobicContact CH2-CB 3.35Å; W536-R559 HydrophobicContact CH2-CG 4.18Å; W536-R559 HydrophobicContact CZ2-CB 4.24Å; W536-R559 HydrophobicContact CZ3-CB 4.07Å; I557-R559 VanDerWaalsContact C-N 3.28Å; I557-R559 VanDerWaalsContact O-CG 3.31Å; I557-R559 WeakPolarHBondContact O-CG 3.34Å; I557-R559 PolarHBondContact O-N 2.8Å; R559-K561 PolarHBondContact O-N 2.66Å; R559-N562 PolarHBondContact O-N 2.79Å
560	M	96	Very high	95.2	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-63	-16.2	-176.8	-66	-155	171.4	0	0	114	W536 C556 N562 L563 V577 L578 I581 F589 H591 W665	W536-M560 HydrophobicContact CZ3-CG 4.5Å; C556-M560 HydrophobicContact CB-CE 4.14Å; C556-M560 WeakPolarHBondContact SG-CG 3.46Å; M560-N562 PolarHBondContact O-N 3.37Å; M560-N562 VanDerWaalsContact O-N 3.1Å; M560-L563 HydrophobicContact CB-CD1 4.24Å; M560-L563 HydrophobicContact CG-CD1 4.25Å; M560-L563 WeakPolarHBondContact O-CB 3.47Å; M560-L563 PolarHBondContact O-N 3.05Å; M560-V577 HydrophobicContact CE-CG1 4.12Å; M560-L578 HydrophobicContact CE-CD2 4.15Å; M560-L578 HydrophobicContact SD-CD2 4.29Å; M560-I581 HydrophobicContact CE-CD1 3.62Å; M560-F589 HydrophobicContact CE-CE2 4.35Å; M560-F589 HydrophobicContact CE-CZ 3.65Å; M560-H591 VanDerWaalsContact SD-CE1 3.56Å; M560-H591 PolarHBondContact SD-NE2 2.86Å; M560-H591 VanDerWaalsContact SD-NE2 3.38Å; M560-W665 HydrophobicContact CB-CH2 3.46Å; M560-W665 VanDerWaalsContact CB-CH2 3.46Å; M560-W665 HydrophobicContact CB-CZ2 3.62Å; M560-W665 HydrophobicContact CB-CZ3 4.3Å; M560-W665 HydrophobicContact CG-CH2 4.24Å; M560-W665 HydrophobicContact SD-CH2 3.78Å; M560-W665 HydrophobicContact SD-CZ3 3.69Å
561	K	95.1	Very high	94.8	Very high	19 Å²	19	36.1 Å²	36.1	8%	0.083	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-56.1	-22.3	171.1	64	170	-179.3	156.8	0	113.5	D558 R559 V594 E657 R658 P659	D558-K561 WeakPolarHBondContact O-CE 3.43Å; R559-K561 PolarHBondContact O-N 2.66Å; K561-V594 HydrophobicContact CD-CB 4.12Å; K561-V594 HydrophobicContact CD-CG2 3.91Å; K561-E657 WeakPolarHBondContact CD-OE2 2.99Å; K561-E657 VanDerWaalsContact CE-OE2 3.28Å; K561-E657 WeakPolarHBondContact CE-OE2 3.34Å; K561-E657 IonicContact NZ-OE1 3.77Å; K561-E657 IonicContact NZ-OE2 2.71Å; K561-E657 PolarHBondContact NZ-OE2 2.89Å; K561-R658 CarbonylContact O-C 3.51Å; K561-R658 WeakPolarHBondContact O-CA 3.46Å; K561-R658 PolarHBondContact O-N 3.21Å; K561-P659 HydrophobicContact CB-CB 4.13Å
562	N	93.9	Very high	94.7	Very high	32 Å²	32	35 Å²	35	17%	0.171	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-87.2	-8.3	179.2	-61.4	129.7	0	0	0	114.2	R559 M560 I656 E657	R559-N562 PolarHBondContact O-N 2.79Å; M560-N562 PolarHBondContact O-N 3.37Å; M560-N562 VanDerWaalsContact O-N 3.1Å; N562-I656 VanDerWaalsContact CA-O 3.31Å; N562-I656 WeakPolarHBondContact CA-O 3.43Å; N562-I656 PolarHBondContact ND2-O 2.59Å; N562-E657 PolarHBondContact ND2-OE1 3.25Å
563	L	95	Very high	94.5	Very high	9 Å²	9	34.7 Å²	34.7	5%	0.047	19%	0.189	C	C	.	.	S	Bend	trans	-76.4	138.1	173.9	-63.6	173.6	0	0	0	110.4	W536 M560 A573 R574 V577	W536-L563 HydrophobicContact CB-CD2 4.07Å; W536-L563 HydrophobicContact CD2-CD2 4.23Å; W536-L563 HydrophobicContact CE3-CD1 4.13Å; W536-L563 HydrophobicContact CE3-CD2 3.94Å; W536-L563 HydrophobicContact CE3-CG 4.22Å; W536-L563 HydrophobicContact CG-CD2 4.34Å; M560-L563 HydrophobicContact CB-CD1 4.24Å; M560-L563 HydrophobicContact CG-CD1 4.25Å; M560-L563 WeakPolarHBondContact O-CB 3.47Å; M560-L563 PolarHBondContact O-N 3.05Å; L563-A573 HydrophobicContact CB-CB 4.22Å; L563-A573 HydrophobicContact CD2-CB 4.38Å; L563-R574 HydrophobicContact CB-CG 3.68Å; L563-R574 HydrophobicContact CD1-CG 4.34Å; L563-R574 PolarHBondContact O-NE 3.27Å; L563-R574 PolarHBondContact O-NH2 3.21Å; L563-V577 HydrophobicContact CD1-CB 4.01Å; L563-V577 HydrophobicContact CD1-CG1 4.24Å; L563-V577 HydrophobicContact CD1-CG2 3.89Å; L563-V577 HydrophobicContact CD2-CG2 4.13Å
564	G	93.7	Very high	94.4	Very high	19 Å²	19	34.7 Å²	34.7	20%	0.196	19%	0.189	C	C	.	.			trans	-57.7	136.7	174.5	0	0	0	0	0	112.3	S572 A573	G564-S572 WeakPolarHBondContact O-CB 3.31Å; G564-A573 PolarHBondContact O-N 3.43Å; G564-A573 VanDerWaalsContact O-N 3.09Å
565	D	93.6	Very high	94.3	Very high	6 Å²	6	37 Å²	37	3%	0.032	20%	0.202	C	C	.	.			trans	-97.1	-171.8	176.2	60.4	31.1	0	0	0	111.5	T567 V568 S569 R658	D565-T567 PolarHBondContact O-N 3.31Å; D565-T567 VanDerWaalsContact O-N 3.15Å; D565-T567 WeakPolarHBondContact OD1-CA 3.37Å; D565-T567 VanDerWaalsContact OD1-CB 3.3Å; D565-T567 WeakPolarHBondContact OD1-CB 3.39Å; D565-T567 PolarHBondContact OD1-N 3.14Å; D565-T567 PolarHBondContact OD1-OG1 3.43Å; D565-V568 PolarHBondContact O-N 3.3Å; D565-S569 PolarHBondContact O-N 3.08Å; D565-R658 VanDerWaalsContact CG-NH1 3.34Å; D565-R658 IonicContact OD1-CZ 2.74Å; D565-R658 IonicContact OD1-NH1 3.44Å; D565-R658 PolarHBondContact OD1-NH1 3.43Å; D565-R658 WeakPolarHBondContact OD2-CD 3.18Å; D565-R658 IonicContact OD2-CZ 3.04Å; D565-R658 IonicContact OD2-NH1 2.62Å; D565-R658 PolarHBondContact OD2-NH1 2.86Å
566	E	93	Very high	94.2	Very high	77 Å²	77	40.5 Å²	40.5	36%	0.36	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.5	-178.5	-65.3	69.5	-147.2	0	0	113.3	V568 S569 S572 R668	E566-V568 PolarHBondContact O-N 3.5Å; E566-S569 WeakPolarHBondContact CA-O 3.11Å; E566-S572 WeakPolarHBondContact OE1-CB 3.42Å; E566-S572 PolarHBondContact OE1-OG 3.5Å; E566-R668 VanDerWaalsContact CD-NH2 3.3Å; E566-R668 IonicContact OE1-CZ 3.65Å; E566-R668 IonicContact OE1-NH1 3.87Å; E566-R668 PolarHBondContact OE1-NH1 3.19Å; E566-R668 IonicContact OE1-NH2 2.78Å; E566-R668 PolarHBondContact OE1-NH2 3.11Å; E566-R668 IonicContact OE2-CZ 2.69Å; E566-R668 IonicContact OE2-NH1 3.44Å; E566-R668 IonicContact OE2-NH2 3.7Å; E566-R668 PolarHBondContact OE2-NH2 3.46Å
567	T	89.9	Confident	94.2	Very high	75 Å²	75	40.5 Å²	40.5	46%	0.46	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-12.1	175	74.5	0	0	0	0	112.8	D565 P601 R658	D565-T567 PolarHBondContact O-N 3.31Å; D565-T567 VanDerWaalsContact O-N 3.15Å; D565-T567 WeakPolarHBondContact OD1-CA 3.37Å; D565-T567 VanDerWaalsContact OD1-CB 3.3Å; D565-T567 WeakPolarHBondContact OD1-CB 3.39Å; D565-T567 PolarHBondContact OD1-N 3.14Å; D565-T567 PolarHBondContact OD1-OG1 3.43Å; T567-P601 HydrophobicContact CG2-CB 4.42Å; T567-P601 HydrophobicContact CG2-CG 4.27Å; T567-R658 PolarHBondContact OG1-NH1 3.34Å
568	V	90.3	Very high	94.2	Very high	70 Å²	70	39.8 Å²	39.8	42%	0.424	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-43.2	175.4	-176.8	0	0	0	0	110.7	D565 E566	D565-V568 PolarHBondContact O-N 3.3Å; E566-V568 PolarHBondContact O-N 3.5Å
569	S	91.5	Very high	94.2	Very high	55 Å²	55	41.4 Å²	41.4	39%	0.385	22%	0.22	S	C	.	.			trans	-153	138.4	177.6	-175	0	0	0	0	110.6	D565 E566 N571 S572	D565-S569 PolarHBondContact O-N 3.08Å; E566-S569 WeakPolarHBondContact CA-O 3.11Å; S569-N571 VanDerWaalsContact C-N 3.28Å; S569-N571 CarbonylContact O-C 3.44Å; S569-N571 PolarHBondContact O-N 3.31Å; S569-N571 PolarHBondContact OG-O 2.96Å; S569-S572 WeakPolarHBondContact O-CA 3.37Å; S569-S572 PolarHBondContact O-N 3.5Å
570	I	89.4	Confident	94.3	Very high	162 Å²	162	39 Å²	39	83%	0.831	21%	0.214	S	C	*	.	S	Bend	trans	-53	-47.6	178.5	-63.4	170.3	0	0	0	110.7	S572	I570-S572 PolarHBondContact O-N 3.01Å
571	N	90.4	Very high	94.4	Very high	83 Å²	83	39 Å²	39	44%	0.444	21%	0.213	S	C	.	.	S	Bend	trans	-84.4	91.9	166	-174.3	9.7	0	0	0	107.7	S569 R576	S569-N571 VanDerWaalsContact C-N 3.28Å; S569-N571 CarbonylContact O-C 3.44Å; S569-N571 PolarHBondContact O-N 3.31Å; S569-N571 PolarHBondContact OG-O 2.96Å; N571-R576 PolarHBondContact O-NH1 3.31Å
572	S	94.6	Very high	94.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.			trans	-66.5	150.3	-174.7	66.2	0	0	0	0	112.1	G564 E566 S569 I570 R574 N575 R576 R668	G564-S572 WeakPolarHBondContact O-CB 3.31Å; E566-S572 WeakPolarHBondContact OE1-CB 3.42Å; E566-S572 PolarHBondContact OE1-OG 3.5Å; S569-S572 WeakPolarHBondContact O-CA 3.37Å; S569-S572 PolarHBondContact O-N 3.5Å; I570-S572 PolarHBondContact O-N 3.01Å; S572-R574 PolarHBondContact O-N 2.82Å; S572-N575 PolarHBondContact O-N 2.97Å; S572-N575 VanDerWaalsContact O-N 3.13Å; S572-N575 PolarHBondContact OG-ND2 2.91Å; S572-R576 PolarHBondContact O-N 3.2Å; S572-R668 PolarHBondContact OG-NH1 2.85Å
573	A	96.2	Very high	94.5	Very high	5 Å²	5	43.2 Å²	43.2	4%	0.041	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-29.9	177.8	0	0	0	0	0	111.6	E537 L563 G564 R576 V577	E537-A573 HydrophobicContact CB-CB 3.98Å; E537-A573 HydrophobicContact CG-CB 4.1Å; L563-A573 HydrophobicContact CB-CB 4.22Å; L563-A573 HydrophobicContact CD2-CB 4.38Å; G564-A573 PolarHBondContact O-N 3.43Å; G564-A573 VanDerWaalsContact O-N 3.09Å; A573-R576 PolarHBondContact O-N 3.1Å; A573-V577 WeakPolarHBondContact O-CG2 3.29Å; A573-V577 PolarHBondContact O-N 2.97Å
574	R	96.5	Very high	94.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.8	-50	173.8	-63.8	174	-174.4	178.8	-3.3	111.9	L563 S572 V577 L578 R658 E660 W665	L563-R574 HydrophobicContact CB-CG 3.68Å; L563-R574 HydrophobicContact CD1-CG 4.34Å; L563-R574 PolarHBondContact O-NE 3.27Å; L563-R574 PolarHBondContact O-NH2 3.21Å; S572-R574 PolarHBondContact O-N 2.82Å; R574-V577 PolarHBondContact O-N 3.49Å; R574-L578 WeakPolarHBondContact O-CB 3.37Å; R574-L578 WeakPolarHBondContact O-CG 3.49Å; R574-L578 PolarHBondContact O-N 3.06Å; R574-R658 PolarHBondContact NH2-O 3.17Å; R574-E660 IonicContact CZ-OE1 3.17Å; R574-E660 IonicContact NH1-OE1 2.67Å; R574-E660 PolarHBondContact NH1-OE1 3.35Å; R574-E660 IonicContact NH1-OE2 2.93Å; R574-W665 HydrophobicContact CB-CH2 4.21Å; R574-W665 HydrophobicContact CB-CZ3 4.45Å; R574-W665 HydrophobicContact CG-CH2 3.83Å
575	N	96.3	Very high	94.7	Very high	49 Å²	49	50.1 Å²	50.1	26%	0.262	26%	0.256	S	S	.	.	H	α-helix	trans	-65.8	-41.8	-178.5	-66.6	-6.9	0	0	0	110.8	S572 L578 N579 R668	S572-N575 PolarHBondContact O-N 2.97Å; S572-N575 VanDerWaalsContact O-N 3.13Å; S572-N575 PolarHBondContact OG-ND2 2.91Å; N575-L578 PolarHBondContact O-N 2.66Å; N575-N579 WeakPolarHBondContact O-CB 3.07Å; N575-N579 PolarHBondContact O-N 2.66Å; N575-N579 PolarHBondContact O-ND2 3.41Å; N575-R668 PolarHBondContact OD1-NH1 3.01Å
576	R	96.6	Very high	94.9	Very high	74 Å²	74	50 Å²	50	28%	0.279	26%	0.256	S	S	.	.	H	α-helix	trans	-59.2	-48.7	174.9	-71.9	-163.3	-66.4	-78	-3	112.5	E537 N571 S572 A573 L578 N579 T580	E537-R576 HydrophobicContact CB-CB 4.09Å; N571-R576 PolarHBondContact O-NH1 3.31Å; S572-R576 PolarHBondContact O-N 3.2Å; A573-R576 PolarHBondContact O-N 3.1Å; R576-L578 PolarHBondContact O-N 3.47Å; R576-N579 PolarHBondContact O-N 3.18Å; R576-T580 PolarHBondContact O-N 2.91Å; R576-T580 PolarHBondContact O-OG1 3.48Å; R576-T580 VanDerWaalsContact O-OG1 3.09Å
577	V	97.9	Very high	95.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-44	178.9	171.8	0	0	0	0	111.3	F465 W536 E537 M560 L563 A573 R574 N579 T580 I581	F465-V577 HydrophobicContact CE1-CG1 4.2Å; F465-V577 HydrophobicContact CZ-CG1 4.46Å; W536-V577 HydrophobicContact CB-CG2 3.69Å; E537-V577 HydrophobicContact CB-CG2 4.08Å; M560-V577 HydrophobicContact CE-CG1 4.12Å; L563-V577 HydrophobicContact CD1-CB 4.01Å; L563-V577 HydrophobicContact CD1-CG1 4.24Å; L563-V577 HydrophobicContact CD1-CG2 3.89Å; L563-V577 HydrophobicContact CD2-CG2 4.13Å; A573-V577 WeakPolarHBondContact O-CG2 3.29Å; A573-V577 PolarHBondContact O-N 2.97Å; R574-V577 PolarHBondContact O-N 3.49Å; V577-N579 VanDerWaalsContact C-N 3.33Å; V577-N579 PolarHBondContact O-N 3.16Å; V577-T580 PolarHBondContact O-N 3.45Å; V577-I581 HydrophobicContact CG1-CD1 3.91Å; V577-I581 HydrophobicContact CG1-CG1 4.44Å; V577-I581 WeakPolarHBondContact O-CG1 3.31Å; V577-I581 PolarHBondContact O-N 3.49Å
578	L	97.9	Very high	95.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-39.1	176.8	-71.5	175.5	0	0	0	112.3	M560 R574 N575 R576 I581 R582 F589 W665 R668 N669 A672 L674	M560-L578 HydrophobicContact CE-CD2 4.15Å; M560-L578 HydrophobicContact SD-CD2 4.29Å; R574-L578 WeakPolarHBondContact O-CB 3.37Å; R574-L578 WeakPolarHBondContact O-CG 3.49Å; R574-L578 PolarHBondContact O-N 3.06Å; N575-L578 PolarHBondContact O-N 2.66Å; R576-L578 PolarHBondContact O-N 3.47Å; L578-I581 PolarHBondContact O-N 3.3Å; L578-R582 PolarHBondContact O-N 3.12Å; L578-F589 HydrophobicContact CD2-CE1 4.07Å; L578-W665 HydrophobicContact CD1-CZ3 4.21Å; L578-R668 HydrophobicContact CD1-CB 3.7Å; L578-N669 VanDerWaalsContact CD2-OD1 3.25Å; L578-N669 WeakPolarHBondContact CD2-OD1 3.25Å; L578-A672 HydrophobicContact CB-CB 3.68Å; L578-A672 HydrophobicContact CD1-CB 4.36Å; L578-L674 HydrophobicContact CD2-CD1 4.21Å
579	N	95.8	Very high	96	Very high	60 Å²	60	46 Å²	46	32%	0.321	23%	0.226	S	C	.	.	H	α-helix	trans	-62.4	-45.1	173.5	-72.1	-11.5	0	0	0	111	N575 R576 V577 I581 R582 M583	N575-N579 WeakPolarHBondContact O-CB 3.07Å; N575-N579 PolarHBondContact O-N 2.66Å; N575-N579 PolarHBondContact O-ND2 3.41Å; R576-N579 PolarHBondContact O-N 3.18Å; V577-N579 VanDerWaalsContact C-N 3.33Å; V577-N579 PolarHBondContact O-N 3.16Å; N579-I581 VanDerWaalsContact C-N 3.33Å; N579-I581 PolarHBondContact O-N 3.31Å; N579-R582 WeakPolarHBondContact O-CB 3.37Å; N579-R582 PolarHBondContact O-N 2.87Å; N579-M583 VanDerWaalsContact O-CG 3.26Å; N579-M583 WeakPolarHBondContact O-CG 3.38Å; N579-M583 PolarHBondContact O-N 3.02Å
580	T	96.9	Very high	96.3	Very high	23 Å²	23	43.4 Å²	43.4	14%	0.141	21%	0.207	C	C	.	.	H	α-helix	trans	-58.5	-45.9	173.9	-52.3	0	0	0	0	110.9	I541 R576 V577 R582 M583 M584	I541-T580 HydrophobicContact CD1-CG2 3.76Å; R576-T580 PolarHBondContact O-N 2.91Å; R576-T580 PolarHBondContact O-OG1 3.48Å; R576-T580 VanDerWaalsContact O-OG1 3.09Å; V577-T580 PolarHBondContact O-N 3.45Å; T580-R582 VanDerWaalsContact C-N 3.34Å; T580-R582 PolarHBondContact O-N 2.89Å; T580-M583 PolarHBondContact O-N 2.63Å; T580-M583 VanDerWaalsContact O-N 3.11Å; T580-M584 HydrophobicContact CG2-CE 3.56Å; T580-M584 WeakPolarHBondContact O-CG 3.42Å; T580-M584 PolarHBondContact O-N 3.08Å
581	I	97.9	Very high	96.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.3	-41.4	177.5	-68.5	170.1	0	0	0	111.6	F465 V554 M560 V577 L578 N579 M584 P586 F589	F465-I581 HydrophobicContact CD2-CD1 4.29Å; F465-I581 HydrophobicContact CE2-CD1 4.07Å; F465-I581 HydrophobicContact CE2-CG1 3.83Å; F465-I581 HydrophobicContact CZ-CG1 4.28Å; V554-I581 HydrophobicContact CB-CG2 4.44Å; V554-I581 HydrophobicContact CG1-CD1 4.11Å; V554-I581 HydrophobicContact CG1-CG1 4.08Å; V554-I581 HydrophobicContact CG1-CG2 4.13Å; V554-I581 HydrophobicContact CG2-CG2 4.48Å; M560-I581 HydrophobicContact CE-CD1 3.62Å; V577-I581 HydrophobicContact CG1-CD1 3.91Å; V577-I581 HydrophobicContact CG1-CG1 4.44Å; V577-I581 WeakPolarHBondContact O-CG1 3.31Å; V577-I581 PolarHBondContact O-N 3.49Å; L578-I581 PolarHBondContact O-N 3.3Å; N579-I581 VanDerWaalsContact C-N 3.33Å; N579-I581 PolarHBondContact O-N 3.31Å; I581-M584 HydrophobicContact CG1-CE 4.41Å; I581-M584 WeakPolarHBondContact O-CB 3.37Å; I581-M584 PolarHBondContact O-N 3.43Å; I581-P586 HydrophobicContact CG2-CG 4.37Å; I581-P586 WeakPolarHBondContact O-CD 3.34Å; I581-F589 HydrophobicContact CD1-CE1 4.28Å; I581-F589 HydrophobicContact CD1-CE2 4.12Å; I581-F589 HydrophobicContact CD1-CZ 3.93Å; I581-F589 HydrophobicContact CG2-CB 4.23Å; I581-F589 HydrophobicContact CG2-CD1 3.82Å; I581-F589 HydrophobicContact CG2-CD2 4.31Å; I581-F589 HydrophobicContact CG2-CE1 4.25Å; I581-F589 HydrophobicContact CG2-CG 3.86Å
582	R	96.6	Very high	97.2	Very high	38 Å²	38	31.8 Å²	31.8	14%	0.143	15%	0.147	C	C	.	.	H	α-helix	trans	-58.7	-49.8	172.3	-179.5	-164.5	58.9	-150.3	22.4	110.5	L578 N579 T580 M584 K585 A672 L674 P724 Y728	L578-R582 PolarHBondContact O-N 3.12Å; N579-R582 WeakPolarHBondContact O-CB 3.37Å; N579-R582 PolarHBondContact O-N 2.87Å; T580-R582 VanDerWaalsContact C-N 3.34Å; T580-R582 PolarHBondContact O-N 2.89Å; R582-M584 PolarHBondContact O-N 3.29Å; R582-K585 WeakPolarHBondContact O-CA 3.44Å; R582-K585 PolarHBondContact O-N 3.46Å; R582-A672 WeakPolarHBondContact CD-O 3.36Å; R582-A672 PolarHBondContact NH1-O 3.08Å; R582-L674 HydrophobicContact CB-CD2 4.27Å; R582-P724 HydrophobicContact CG-CB 4.42Å; R582-Y728 PolarHBondContact NH1-OH 3.33Å
583	M	95.4	Very high	97.3	Very high	102 Å²	102	32 Å²	32	50%	0.502	15%	0.148	S	C	.	.	H	α-helix	trans	-64.4	-27.2	-176.3	-67.6	-56.4	-67.8	0	0	113.2	I541 N579 T580 K585	I541-M583 HydrophobicContact CD1-CB 3.99Å; I541-M583 HydrophobicContact CG1-CB 4.2Å; N579-M583 VanDerWaalsContact O-CG 3.26Å; N579-M583 WeakPolarHBondContact O-CG 3.38Å; N579-M583 PolarHBondContact O-N 3.02Å; T580-M583 PolarHBondContact O-N 2.63Å; T580-M583 VanDerWaalsContact O-N 3.11Å; M583-K585 PolarHBondContact O-N 3.4Å
584	M	96.2	Very high	97.4	Very high	9 Å²	9	32.5 Å²	32.5	4%	0.044	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.7	170.8	-68.6	175.7	-157.1	0	0	113	F465 I541 L544 I546 L552 V554 T580 I581 R582	F465-M584 HydrophobicContact CE2-CE 3.81Å; F465-M584 HydrophobicContact CE2-SD 4.48Å; F465-M584 HydrophobicContact CZ-CE 3.66Å; I541-M584 HydrophobicContact CD1-CB 4.22Å; I541-M584 HydrophobicContact CD1-CG 3.4Å; I541-M584 VanDerWaalsContact CD1-CG 3.4Å; L544-M584 HydrophobicContact CD1-CE 3.27Å; L544-M584 HydrophobicContact CD1-CG 3.85Å; L544-M584 HydrophobicContact CD1-SD 3.67Å; I546-M584 HydrophobicContact CD1-CB 4.09Å; I546-M584 HydrophobicContact CD1-CG 4Å; L552-M584 HydrophobicContact CD2-CB 3.98Å; L552-M584 WeakPolarHBondContact CD2-O 3.27Å; V554-M584 HydrophobicContact CG2-SD 3.78Å; T580-M584 HydrophobicContact CG2-CE 3.56Å; T580-M584 WeakPolarHBondContact O-CG 3.42Å; T580-M584 PolarHBondContact O-N 3.08Å; I581-M584 HydrophobicContact CG1-CE 4.41Å; I581-M584 WeakPolarHBondContact O-CB 3.37Å; I581-M584 PolarHBondContact O-N 3.43Å; R582-M584 PolarHBondContact O-N 3.29Å
585	K	96.2	Very high	97.4	Very high	164 Å²	164	33.5 Å²	33.5	71%	0.713	16%	0.156	S	C	*	.			trans	52.4	49.7	-175.3	-60.6	177	-178.7	177.4	0	114.2	R582 M583 P724	R582-K585 WeakPolarHBondContact O-CA 3.44Å; R582-K585 PolarHBondContact O-N 3.46Å; M583-K585 PolarHBondContact O-N 3.4Å; K585-P724 HydrophobicContact CB-CG 4.37Å
586	P	98.1	Very high	97.3	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.019	15%	0.146	C	C	.	.			trans	-64.9	148.3	-177.7	29.8	-36.9	0	0	0	111.7	L552 V554 I581 V588 F589 P724	L552-P586 HydrophobicContact CD2-CB 4.36Å; L552-P586 HydrophobicContact CG-CB 4.3Å; V554-P586 HydrophobicContact CB-CB 4.29Å; V554-P586 HydrophobicContact CB-CG 4.43Å; V554-P586 HydrophobicContact CG2-CB 3.75Å; V554-P586 HydrophobicContact CG2-CG 3.99Å; I581-P586 HydrophobicContact CG2-CG 4.37Å; I581-P586 WeakPolarHBondContact O-CD 3.34Å; P586-V588 VanDerWaalsContact C-N 3.26Å; P586-V588 PolarHBondContact O-N 3.49Å; P586-F589 HydrophobicContact CG-CB 4.28Å; P586-P724 VanDerWaalsContact O-CD 3.24Å; P586-P724 WeakPolarHBondContact O-CD 3.29Å
587	K	98	Very high	97.2	Very high	138 Å²	138	30.6 Å²	30.6	60%	0.6	15%	0.151	S	C	*	.	S	Bend	trans	-64.1	-37.2	172	-176.9	58	177.5	178.8	0	111.2	V453 V551 L552	V453-K587 HydrophobicContact CG1-CB 4.33Å; V453-K587 HydrophobicContact CG1-CG 3.56Å; V551-K587 HydrophobicContact CG1-CB 4.13Å; V551-K587 HydrophobicContact CG1-CG 4.33Å; L552-K587 WeakPolarHBondContact O-CB 3.42Å; L552-K587 PolarHBondContact O-N 3.2Å
588	V	98.5	Very high	97	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	139.7	170.1	83.5	0	0	0	0	110.2	T449 V453 I553 V554 P586 V590 L677 T721	T449-V588 HydrophobicContact CG2-CG1 4.38Å; T449-V588 HydrophobicContact CG2-CG2 4.08Å; V453-V588 HydrophobicContact CG2-CB 4.47Å; V453-V588 HydrophobicContact CG2-CG1 4.44Å; I553-V588 HydrophobicContact CD1-CG1 3.63Å; I553-V588 HydrophobicContact CG2-CG1 4.03Å; V554-V588 PolarHBondContact N-O 3.38Å; P586-V588 VanDerWaalsContact C-N 3.26Å; P586-V588 PolarHBondContact O-N 3.49Å; V588-V590 HydrophobicContact CG1-CG2 4.28Å; V588-L677 HydrophobicContact CG2-CD1 3.78Å; V588-T721 HydrophobicContact CG2-CG2 4.01Å
589	F	98.8	Very high	96.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	112.5	166.7	167.9	-143.3	0	0	0	108.8	V554 C556 M560 L578 I581 P586 H591 L674 T721 W722	V554-F589 HydrophobicContact CB-CB 4.31Å; V554-F589 HydrophobicContact CB-CD2 3.93Å; V554-F589 HydrophobicContact CB-CG 4.44Å; V554-F589 HydrophobicContact CG1-CD2 3.58Å; V554-F589 HydrophobicContact CG1-CE2 4Å; V554-F589 HydrophobicContact CG1-CG 4.38Å; V554-F589 CarbonylContact O-C 3.59Å; V554-F589 VanDerWaalsContact O-CA 3.31Å; V554-F589 WeakPolarHBondContact O-CA 3.23Å; C556-F589 HydrophobicContact CB-CE2 3.95Å; C556-F589 HydrophobicContact CB-CZ 4.49Å; M560-F589 HydrophobicContact CE-CE2 4.35Å; M560-F589 HydrophobicContact CE-CZ 3.65Å; L578-F589 HydrophobicContact CD2-CE1 4.07Å; I581-F589 HydrophobicContact CD1-CE1 4.28Å; I581-F589 HydrophobicContact CD1-CE2 4.12Å; I581-F589 HydrophobicContact CD1-CZ 3.93Å; I581-F589 HydrophobicContact CG2-CB 4.23Å; I581-F589 HydrophobicContact CG2-CD1 3.82Å; I581-F589 HydrophobicContact CG2-CD2 4.31Å; I581-F589 HydrophobicContact CG2-CE1 4.25Å; I581-F589 HydrophobicContact CG2-CG 3.86Å; P586-F589 HydrophobicContact CG-CB 4.28Å; F589-H591 HydrophobicContact CE1-CB 3.9Å; F589-H591 AromaticContact CE1-CG 3.95Å; F589-H591 AromaticContact CE1-ND1 3.67Å; F589-H591 HydrophobicContact CE2-CB 3.97Å; F589-H591 HydrophobicContact CZ-CB 3.59Å; F589-H591 AromaticContact CZ-CG 3.53Å; F589-H591 AromaticContact CZ-ND1 3.61Å; F589-L674 HydrophobicContact CD1-CD1 4.01Å; F589-L674 HydrophobicContact CE1-CD1 4.23Å; F589-T721 CarbonylContact O-C 3.55Å; F589-T721 WeakPolarHBondContact O-CA 3.45Å; F589-W722 HydrophobicContact CB-CB 4.22Å; F589-W722 HydrophobicContact CD1-CB 3.97Å; F589-W722 HydrophobicContact CD1-CG 4.24Å; F589-W722 HydrophobicContact CG-CB 4.49Å; F589-W722 PolarHBondContact N-O 3.48Å; F589-W722 PolarHBondContact O-N 3.02Å
590	V	98.8	Very high	96.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	119.6	174.5	-171	0	0	0	0	109	F445 T449 V554 C556 I557 V588 I719 T721	F445-V590 HydrophobicContact CD1-CG1 4.3Å; F445-V590 HydrophobicContact CE1-CG1 4.4Å; T449-V590 HydrophobicContact CG2-CG2 4.41Å; V554-V590 PolarHBondContact O-N 3.28Å; C556-V590 PolarHBondContact N-O 2.85Å; I557-V590 HydrophobicContact CD1-CG1 4.04Å; V588-V590 HydrophobicContact CG1-CG2 4.28Å; V590-I719 HydrophobicContact CG1-CD1 3.99Å; V590-I719 HydrophobicContact CG1-CG1 4.26Å; V590-T721 HydrophobicContact CG1-CG2 4.47Å; V590-T721 HydrophobicContact CG2-CG2 4.13Å
591	H	98.7	Very high	96.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	103.8	-174.7	-166.9	174.7	0	0	0	110.7	M560 F589 I593 W665 N669 I719 S720	M560-H591 VanDerWaalsContact SD-CE1 3.56Å; M560-H591 PolarHBondContact SD-NE2 2.86Å; M560-H591 VanDerWaalsContact SD-NE2 3.38Å; F589-H591 HydrophobicContact CE1-CB 3.9Å; F589-H591 AromaticContact CE1-CG 3.95Å; F589-H591 AromaticContact CE1-ND1 3.67Å; F589-H591 HydrophobicContact CE2-CB 3.97Å; F589-H591 HydrophobicContact CZ-CB 3.59Å; F589-H591 AromaticContact CZ-CG 3.53Å; F589-H591 AromaticContact CZ-ND1 3.61Å; H591-I593 VanDerWaalsContact NE2-CG2 3.34Å; H591-I593 WeakPolarHBondContact NE2-CG2 3.36Å; H591-W665 AromaticContact CE1-CD2 3.92Å; H591-W665 AromaticContact CE1-CE3 3.48Å; H591-W665 VanDerWaalsContact CE1-CE3 3.48Å; H591-W665 AromaticContact CE1-CZ3 3.91Å; H591-N669 PolarHBondContact ND1-ND2 3.3Å; H591-I719 WeakPolarHBondContact O-CA 3.39Å; H591-S720 PolarHBondContact N-O 2.92Å; H591-S720 PolarHBondContact O-N 3.47Å
592	G	98.5	Very high	96.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	137.3	171.4	0	0	0	0	0	111.1	C556 D558 A718	C556-G592 PolarHBondContact O-N 3.4Å; D558-G592 PolarHBondContact N-O 2.95Å; G592-A718 CarbonylContact C-O 3.55Å; G592-A718 WeakPolarHBondContact CA-O 3.5Å
593	I	98.2	Very high	96.1	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	149.5	-177.1	66.3	155	0	0	0	112.4	H591 Y662 W665 W706 N717 A718	H591-I593 VanDerWaalsContact NE2-CG2 3.34Å; H591-I593 WeakPolarHBondContact NE2-CG2 3.36Å; I593-Y662 VanDerWaalsContact CD1-CA 3.47Å; I593-W665 HydrophobicContact CD1-CB 4.4Å; I593-W665 HydrophobicContact CD1-CG 4.14Å; I593-W665 HydrophobicContact CG2-CD2 4.33Å; I593-W665 HydrophobicContact CG2-CG 4.02Å; I593-W706 HydrophobicContact CD1-CH2 4.48Å; I593-W706 HydrophobicContact CD1-CZ3 4.47Å; I593-W706 HydrophobicContact CG1-CH2 4.39Å; I593-W706 HydrophobicContact CG1-CZ3 4.06Å; I593-W706 HydrophobicContact CG2-CH2 4.41Å; I593-N717 VanDerWaalsContact O-CA 3.26Å; I593-N717 WeakPolarHBondContact O-CA 3.47Å; I593-A718 HydrophobicContact CD1-CB 4.21Å; I593-A718 HydrophobicContact CG1-CB 3.85Å; I593-A718 WeakPolarHBondContact CG1-O 3.4Å; I593-A718 PolarHBondContact N-O 2.91Å; I593-A718 PolarHBondContact O-N 3.4Å
594	V	97.3	Very high	96.1	Very high	16 Å²	16	33.2 Å²	33.2	10%	0.097	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	117.2	158.8	-179.5	0	0	0	0	107.8	D558 K561 G596 P659	D558-V594 HydrophobicContact CB-CG2 3.87Å; D558-V594 PolarHBondContact OD1-N 3Å; K561-V594 HydrophobicContact CD-CB 4.12Å; K561-V594 HydrophobicContact CD-CG2 3.91Å; V594-G596 PolarHBondContact O-N 2.94Å; V594-P659 HydrophobicContact CB-CB 4.37Å; V594-P659 HydrophobicContact CG1-CB 4.28Å; V594-P659 WeakPolarHBondContact O-CB 3.31Å
595	N	97.2	Very high	96.1	Very high	21 Å²	21	36.3 Å²	36.3	11%	0.112	19%	0.19	C	C	.	.			trans	-84.6	112.6	-179.3	-177.4	74.8	0	0	0	110.2	H613 N661 Y662 I715 L716	N595-H613 PolarHBondContact O-CE1 3.27Å; N595-H613 PolarHBondContact O-ND1 2.98Å; N595-N661 VanDerWaalsContact OD1-CA 3.24Å; N595-N661 WeakPolarHBondContact OD1-CA 3.43Å; N595-Y662 WeakPolarHBondContact OD1-CD1 3.48Å; N595-Y662 PolarHBondContact OD1-N 3.31Å; N595-Y662 VanDerWaalsContact OD1-N 3.11Å; N595-I715 HydrophobicContact CB-CG2 4.03Å; N595-I715 PolarHBondContact ND2-O 3.3Å; N595-L716 WeakPolarHBondContact CB-O 3.48Å; N595-L716 PolarHBondContact N-O 3.44Å
596	G	94.5	Very high	96.1	Very high	6 Å²	6	28.6 Å²	28.6	6%	0.062	16%	0.157	C	C	.	.			trans	-165.2	155.6	178	0	0	0	0	0	113.1	V594 P659 E660 N661	V594-G596 PolarHBondContact O-N 2.94Å; G596-P659 CarbonylContact O-C 3.43Å; G596-P659 VanDerWaalsContact O-C 3.23Å; G596-P659 VanDerWaalsContact O-O 3.04Å; G596-E660 CarbonylContact O-C 3.59Å; G596-E660 WeakPolarHBondContact O-CA 3.4Å; G596-E660 PolarHBondContact O-N 2.69Å; G596-N661 PolarHBondContact O-N 2.93Å
597	S	93	Very high	96.2	Very high	55 Å²	55	28.5 Å²	28.5	39%	0.385	16%	0.156	S	C	.	.	S	Bend	trans	-110.8	17.8	-179.7	-62	0	0	0	0	113.2	G599	S597-G599 VanDerWaalsContact C-N 3.31Å; S597-G599 PolarHBondContact O-N 2.95Å
598	F	94.8	Very high	96.2	Very high	3 Å²	3	25.6 Å²	25.6	1%	0.013	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	16.6	179.6	51.5	-90.2	0	0	0	113.9	T600 R606 E609 V610 H613 V647 R655 P659	F598-T600 VanDerWaalsContact C-N 3.28Å; F598-R606 HydrophobicContact CB-CG 4.24Å; F598-E609 HydrophobicContact CB-CB 3.9Å; F598-E609 HydrophobicContact CD1-CB 4.4Å; F598-V610 HydrophobicContact CB-CB 4.01Å; F598-V610 HydrophobicContact CD1-CB 4.28Å; F598-V610 HydrophobicContact CD2-CB 4.12Å; F598-V610 HydrophobicContact CD2-CG2 3.94Å; F598-V610 HydrophobicContact CE2-CG2 4Å; F598-V610 HydrophobicContact CG-CB 3.9Å; F598-V610 HydrophobicContact CG-CG2 4.17Å; F598-V610 HydrophobicContact CZ-CG2 4.34Å; F598-H613 HydrophobicContact CD1-CB 4.29Å; F598-H613 HydrophobicContact CE1-CB 3.67Å; F598-H613 AromaticContact CE1-CD2 3.8Å; F598-H613 AromaticContact CE1-CG 3.52Å; F598-H613 AromaticContact CE1-ND1 3.82Å; F598-H613 HydrophobicContact CZ-CB 4.42Å; F598-H613 AromaticContact CZ-CD2 3.78Å; F598-V647 HydrophobicContact CB-CG1 4.33Å; F598-V647 HydrophobicContact CD2-CG1 3.88Å; F598-V647 HydrophobicContact CD2-CG2 3.79Å; F598-V647 HydrophobicContact CE2-CG2 3.91Å; F598-R655 PolarHBondContact O-NH1 2.9Å; F598-P659 HydrophobicContact CD1-CG 4.18Å; F598-P659 HydrophobicContact CD2-CG 3.58Å; F598-P659 HydrophobicContact CE1-CG 3.73Å; F598-P659 VanDerWaalsContact CE2-CD 3.44Å; F598-P659 HydrophobicContact CE2-CG 3.1Å; F598-P659 HydrophobicContact CG-CG 4.12Å; F598-P659 HydrophobicContact CZ-CB 4.43Å; F598-P659 HydrophobicContact CZ-CG 3.19Å
599	G	91.8	Very high	96.1	Very high	8 Å²	8	28.1 Å²	28.1	8%	0.082	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-16.7	164.3	0	0	0	0	0	114	S597 R655 P659	S597-G599 VanDerWaalsContact C-N 3.31Å; S597-G599 PolarHBondContact O-N 2.95Å; G599-R655 PolarHBondContact O-NH1 3.18Å; G599-R655 PolarHBondContact O-NH2 3.42Å; G599-P659 PolarHBondContact N-O 3.41Å
600	T	92.3	Very high	96.1	Very high	34 Å²	34	28.1 Å²	28.1	21%	0.209	16%	0.155	C	C	.	.			trans	-54.3	143.8	-178.7	-176.7	0	0	0	0	113.8	F598 F602 T605 R606 R655	F598-T600 VanDerWaalsContact C-N 3.28Å; T600-F602 VanDerWaalsContact C-N 3.31Å; T600-F602 WeakPolarHBondContact OG1-CD2 3.37Å; T600-F602 PolarHBondContact OG1-N 2.92Å; T600-T605 HydrophobicContact CG2-CG2 4.07Å; T600-R606 HydrophobicContact CG2-CB 3.79Å; T600-R655 PolarHBondContact O-NH2 3.43Å
601	P	91.8	Very high	96	Very high	67 Å²	67	28.3 Å²	28.3	44%	0.435	16%	0.156	S	C	.	.	S	Bend	trans	-69.8	-26.5	176	28.6	-34.8	0	0	0	112.8	T567 F603 R606	T567-P601 HydrophobicContact CG2-CB 4.42Å; T567-P601 HydrophobicContact CG2-CG 4.27Å; P601-F603 PolarHBondContact O-N 3.15Å; P601-R606 PolarHBondContact O-NH2 3.46Å
602	F	93.5	Very high	95.9	Very high	96 Å²	96	30.4 Å²	30.4	42%	0.421	16%	0.164	S	C	.	.			trans	-71.1	117.3	-176.8	-55.1	-65.7	0	0	0	111.6	L117 T600 L604 R606	L117-F602 HydrophobicContact CD1-CE1 3.95Å; L117-F602 HydrophobicContact CD2-CE1 3.75Å; L117-F602 HydrophobicContact CD2-CZ 3.76Å; L117-F602 HydrophobicContact CG-CE1 4.3Å; T600-F602 VanDerWaalsContact C-N 3.31Å; T600-F602 WeakPolarHBondContact OG1-CD2 3.37Å; T600-F602 PolarHBondContact OG1-N 2.92Å; F602-L604 PolarHBondContact O-N 3.36Å; F602-R606 VanDerWaalsContact O-CB 3.25Å; F602-R606 WeakPolarHBondContact O-CB 3.36Å; F602-R606 PolarHBondContact O-N 3.36Å
603	F	96	Very high	95.9	Very high	19 Å²	19	30.7 Å²	30.7	8%	0.083	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-48.5	-170.4	173.1	-112.1	0	0	0	114.1	A360 V363 L400 R403 P601 R606 F607 I648	A360-F603 HydrophobicContact CB-CE1 4.23Å; A360-F603 HydrophobicContact CB-CZ 4.48Å; A360-F603 WeakPolarHBondContact O-CE1 3.33Å; V363-F603 HydrophobicContact CB-CE1 4.4Å; V363-F603 HydrophobicContact CG1-CE1 4.19Å; V363-F603 HydrophobicContact CG1-CZ 4.36Å; L400-F603 HydrophobicContact CD2-CZ 3.96Å; R403-F603 VanDerWaalsContact CZ-CE2 3.48Å; R403-F603 VanDerWaalsContact NE-CE2 3.28Å; R403-F603 VanDerWaalsContact NH1-CD2 3.29Å; P601-F603 PolarHBondContact O-N 3.15Å; F603-R606 WeakPolarHBondContact O-CB 3.19Å; F603-R606 PolarHBondContact O-N 3.06Å; F603-F607 HydrophobicContact CE2-CB 4.41Å; F603-F607 HydrophobicContact CZ-CB 4.39Å; F603-F607 HydrophobicContact CZ-CD2 4.4Å; F603-F607 WeakPolarHBondContact O-CB 3.5Å; F603-F607 PolarHBondContact O-N 3.11Å; F603-I648 HydrophobicContact CE2-CG2 4.1Å; F603-I648 HydrophobicContact CZ-CG2 4.48Å
604	L	96.1	Very high	95.8	Very high	51 Å²	51	30.6 Å²	30.6	27%	0.267	17%	0.165	S	C	.	.	H	α-helix	trans	-65.5	-43.2	-176.2	-72.7	178.6	0	0	0	112.8	A360 Q361 F602 F607 K608	A360-L604 HydrophobicContact CB-CD2 4.05Å; A360-L604 WeakPolarHBondContact O-CD2 3.38Å; Q361-L604 HydrophobicContact CB-CD2 4.43Å; Q361-L604 HydrophobicContact CG-CD1 4.02Å; Q361-L604 HydrophobicContact CG-CD2 3.92Å; F602-L604 PolarHBondContact O-N 3.36Å; L604-F607 PolarHBondContact O-N 3.32Å; L604-K608 WeakPolarHBondContact O-CG 3.4Å; L604-K608 PolarHBondContact O-N 3.48Å
605	T	96.5	Very high	95.9	Very high	75 Å²	75	31.9 Å²	31.9	46%	0.46	18%	0.175	S	C	.	.	H	α-helix	trans	-60.4	-48.6	175	-51.7	0	0	0	0	110.3	T600 F607 K608 E609	T600-T605 HydrophobicContact CG2-CG2 4.07Å; T605-F607 PolarHBondContact O-N 3.3Å; T605-K608 PolarHBondContact O-N 3.48Å; T605-E609 WeakPolarHBondContact O-CB 3.4Å; T605-E609 WeakPolarHBondContact O-CG 3.24Å; T605-E609 PolarHBondContact O-N 3.39Å
606	R	96.7	Very high	95.9	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-57.1	-44.8	175.1	170.6	170.3	49.6	148.8	-16.3	112.6	F598 T600 P601 F602 F603 E609 V610 V647 C650 E651	F598-R606 HydrophobicContact CB-CG 4.24Å; T600-R606 HydrophobicContact CG2-CB 3.79Å; P601-R606 PolarHBondContact O-NH2 3.46Å; F602-R606 VanDerWaalsContact O-CB 3.25Å; F602-R606 WeakPolarHBondContact O-CB 3.36Å; F602-R606 PolarHBondContact O-N 3.36Å; F603-R606 WeakPolarHBondContact O-CB 3.19Å; F603-R606 PolarHBondContact O-N 3.06Å; R606-E609 PolarHBondContact O-N 2.98Å; R606-V610 WeakPolarHBondContact O-CB 3.42Å; R606-V610 WeakPolarHBondContact O-CG1 3.31Å; R606-V610 PolarHBondContact O-N 3.07Å; R606-V647 VanDerWaalsContact CD-O 3.31Å; R606-V647 WeakPolarHBondContact CD-O 3.49Å; R606-V647 HydrophobicContact CG-CG1 3.53Å; R606-V647 PolarHBondContact NH1-O 3.39Å; R606-C650 PolarHBondContact NH1-O 3.41Å; R606-E651 IonicContact CZ-OE1 2.75Å; R606-E651 IonicContact CZ-OE2 3.7Å; R606-E651 IonicContact NH1-OE1 3.55Å; R606-E651 PolarHBondContact NH1-OE1 3.49Å; R606-E651 IonicContact NH1-OE2 2.8Å; R606-E651 PolarHBondContact NH1-OE2 3.49Å; R606-E651 VanDerWaalsContact NH1-OE2 3.12Å; R606-E651 IonicContact NH2-OE1 3.9Å; R606-E651 PolarHBondContact NH2-OE1 3.42Å; R606-E651 IonicContact NH2-OE2 3.88Å; R606-E651 PolarHBondContact NH2-OE2 3.37Å
607	F	98.3	Very high	96.1	Very high	1 Å²	1	32 Å²	32	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-62.8	-47.6	179.3	178.4	-91.7	0	0	0	111.9	L356 A360 L396 L400 F603 L604 T605 V610 M611 I648	L356-F607 HydrophobicContact CB-CE1 4.47Å; L356-F607 HydrophobicContact CB-CZ 4.23Å; A360-F607 HydrophobicContact CB-CB 4.39Å; A360-F607 HydrophobicContact CB-CD1 3.4Å; A360-F607 VanDerWaalsContact CB-CD1 3.4Å; A360-F607 HydrophobicContact CB-CD2 4.01Å; A360-F607 HydrophobicContact CB-CE1 3.55Å; A360-F607 HydrophobicContact CB-CE2 4.14Å; A360-F607 HydrophobicContact CB-CG 3.65Å; A360-F607 HydrophobicContact CB-CZ 3.92Å; L396-F607 HydrophobicContact CD2-CE2 4.3Å; L400-F607 HydrophobicContact CD1-CE2 3.91Å; L400-F607 HydrophobicContact CD1-CZ 4.04Å; L400-F607 HydrophobicContact CD2-CD2 4.05Å; L400-F607 HydrophobicContact CD2-CE2 3.73Å; L400-F607 HydrophobicContact CD2-CZ 4.48Å; L400-F607 HydrophobicContact CG-CE2 3.92Å; F603-F607 HydrophobicContact CE2-CB 4.41Å; F603-F607 HydrophobicContact CZ-CB 4.39Å; F603-F607 HydrophobicContact CZ-CD2 4.4Å; F603-F607 WeakPolarHBondContact O-CB 3.5Å; F603-F607 PolarHBondContact O-N 3.11Å; L604-F607 PolarHBondContact O-N 3.32Å; T605-F607 PolarHBondContact O-N 3.3Å; F607-V610 WeakPolarHBondContact O-CG1 3.48Å; F607-M611 HydrophobicContact CE1-SD 4.26Å; F607-M611 VanDerWaalsContact O-CB 3.25Å; F607-M611 WeakPolarHBondContact O-CB 3.04Å; F607-M611 PolarHBondContact O-N 3.34Å; F607-I648 HydrophobicContact CD2-CD1 4.02Å; F607-I648 HydrophobicContact CD2-CG1 4.2Å; F607-I648 HydrophobicContact CD2-CG2 4.38Å; F607-I648 HydrophobicContact CE2-CD1 4.12Å
608	K	97.9	Very high	96.3	Very high	78 Å²	78	29.3 Å²	29.3	34%	0.339	16%	0.155	S	C	.	.	H	α-helix	trans	-61	-47.4	177.6	-72.2	177.5	179.8	-179.7	0	111.1	L604 T605 M611 Y612	L604-K608 WeakPolarHBondContact O-CG 3.4Å; L604-K608 PolarHBondContact O-N 3.48Å; T605-K608 PolarHBondContact O-N 3.48Å; K608-M611 PolarHBondContact O-N 3.01Å; K608-Y612 HydrophobicContact CB-CE2 4.23Å; K608-Y612 WeakPolarHBondContact O-CD2 3.14Å; K608-Y612 VanDerWaalsContact O-CG 3.32Å; K608-Y612 PolarHBondContact O-N 3.08Å
609	E	97.3	Very high	96.4	Very high	54 Å²	54	30.2 Å²	30.2	25%	0.252	16%	0.16	S	C	.	.	H	α-helix	trans	-64.3	-43.5	-178.6	-75.2	-53.7	120.1	0	0	112.7	F598 T605 R606 Y612 H613	F598-E609 HydrophobicContact CB-CB 3.9Å; F598-E609 HydrophobicContact CD1-CB 4.4Å; T605-E609 WeakPolarHBondContact O-CB 3.4Å; T605-E609 WeakPolarHBondContact O-CG 3.24Å; T605-E609 PolarHBondContact O-N 3.39Å; R606-E609 PolarHBondContact O-N 2.98Å; E609-Y612 PolarHBondContact O-N 3.38Å; E609-H613 WeakPolarHBondContact O-CB 3.06Å; E609-H613 PolarHBondContact O-N 2.96Å
610	V	97.9	Very high	96.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.9	-38.2	177.7	77.1	0	0	0	0	111.5	F598 R606 F607 Y612 H613 Y614 L644 V647 I648	F598-V610 HydrophobicContact CB-CB 4.01Å; F598-V610 HydrophobicContact CD1-CB 4.28Å; F598-V610 HydrophobicContact CD2-CB 4.12Å; F598-V610 HydrophobicContact CD2-CG2 3.94Å; F598-V610 HydrophobicContact CE2-CG2 4Å; F598-V610 HydrophobicContact CG-CB 3.9Å; F598-V610 HydrophobicContact CG-CG2 4.17Å; F598-V610 HydrophobicContact CZ-CG2 4.34Å; R606-V610 WeakPolarHBondContact O-CB 3.42Å; R606-V610 WeakPolarHBondContact O-CG1 3.31Å; R606-V610 PolarHBondContact O-N 3.07Å; F607-V610 WeakPolarHBondContact O-CG1 3.48Å; V610-Y612 PolarHBondContact O-N 3.11Å; V610-H613 PolarHBondContact O-N 2.87Å; V610-Y614 HydrophobicContact CG2-CD2 3.65Å; V610-Y614 HydrophobicContact CG2-CE2 3.66Å; V610-Y614 WeakPolarHBondContact O-CD2 3.37Å; V610-Y614 PolarHBondContact O-N 3.16Å; V610-L644 HydrophobicContact CG1-CD2 4.46Å; V610-L644 HydrophobicContact CG2-CD2 3.76Å; V610-V647 HydrophobicContact CB-CG1 3.85Å; V610-V647 HydrophobicContact CG1-CG1 3.97Å; V610-V647 HydrophobicContact CG2-CB 4.12Å; V610-V647 HydrophobicContact CG2-CG1 3.84Å; V610-V647 HydrophobicContact CG2-CG2 4.2Å; V610-I648 HydrophobicContact CG1-CD1 3.99Å; V610-I648 HydrophobicContact CG1-CG1 3.91Å
611	M	98	Very high	96.9	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.025	15%	0.146	C	C	.	.	H	α-helix	trans	-59.6	-45.7	174.2	178.7	-175.5	62.7	0	0	111.1	R353 L356 I357 L392 L396 F607 K608 S615	R353-M611 HydrophobicContact CG-CE 4.07Å; R353-M611 HydrophobicContact CG-SD 4.32Å; L356-M611 HydrophobicContact CB-SD 4.3Å; I357-M611 HydrophobicContact CD1-CE 3.85Å; I357-M611 HydrophobicContact CG1-CE 3.7Å; I357-M611 HydrophobicContact CG1-SD 4.45Å; L392-M611 HydrophobicContact CD2-CG 4.41Å; L396-M611 HydrophobicContact CD1-CB 4.23Å; L396-M611 HydrophobicContact CD1-CG 3.79Å; L396-M611 HydrophobicContact CD1-SD 4.37Å; F607-M611 HydrophobicContact CE1-SD 4.26Å; F607-M611 VanDerWaalsContact O-CB 3.25Å; F607-M611 WeakPolarHBondContact O-CB 3.04Å; F607-M611 PolarHBondContact O-N 3.34Å; K608-M611 PolarHBondContact O-N 3.01Å; M611-S615 WeakPolarHBondContact O-CB 3.4Å; M611-S615 PolarHBondContact O-N 3.21Å; M611-S615 PolarHBondContact O-OG 3.34Å
612	Y	96.5	Very high	97.1	Very high	43 Å²	43	26.5 Å²	26.5	17%	0.169	13%	0.133	C	C	.	.	H	α-helix	trans	-69.8	-32.8	177.9	-63.2	-34.2	0	0	0	114	R353 K608 E609 V610 S615	R353-Y612 VanDerWaalsContact NE-CE1 3.34Å; R353-Y612 PolarHBondContact NH2-OH 3.34Å; K608-Y612 HydrophobicContact CB-CE2 4.23Å; K608-Y612 WeakPolarHBondContact O-CD2 3.14Å; K608-Y612 VanDerWaalsContact O-CG 3.32Å; K608-Y612 PolarHBondContact O-N 3.08Å; E609-Y612 PolarHBondContact O-N 3.38Å; V610-Y612 PolarHBondContact O-N 3.11Å; Y612-S615 WeakPolarHBondContact CA-OG 3.35Å; Y612-S615 PolarHBondContact O-OG 3.31Å
613	H	97.3	Very high	97.2	Very high	6 Å²	6	25.3 Å²	25.3	3%	0.028	13%	0.128	C	C	.	.	H	α-helix	trans	-65.1	-50.8	174.5	-176.7	88.6	0	0	0	110.8	N595 F598 E609 V610 A616 F617	N595-H613 PolarHBondContact O-CE1 3.27Å; N595-H613 PolarHBondContact O-ND1 2.98Å; F598-H613 HydrophobicContact CD1-CB 4.29Å; F598-H613 HydrophobicContact CE1-CB 3.67Å; F598-H613 AromaticContact CE1-CD2 3.8Å; F598-H613 AromaticContact CE1-CG 3.52Å; F598-H613 AromaticContact CE1-ND1 3.82Å; F598-H613 HydrophobicContact CZ-CB 4.42Å; F598-H613 AromaticContact CZ-CD2 3.78Å; E609-H613 WeakPolarHBondContact O-CB 3.06Å; E609-H613 PolarHBondContact O-N 2.96Å; V610-H613 PolarHBondContact O-N 2.87Å; H613-A616 WeakPolarHBondContact O-CB 3.28Å; H613-A616 PolarHBondContact O-N 3.49Å; H613-F617 AromaticContact CD2-CE2 3.89Å; H613-F617 AromaticContact CE1-CE2 3.96Å; H613-F617 AromaticContact NE2-CE2 3.44Å; H613-F617 WeakPolarHBondContact NE2-CE2 3.48Å
614	Y	97.9	Very high	97.2	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-75	-24.7	-179.8	-77.7	-87	0	0	0	113.5	V610 A616 F617 F618 F640 Q643 L644	V610-Y614 HydrophobicContact CG2-CD2 3.65Å; V610-Y614 HydrophobicContact CG2-CE2 3.66Å; V610-Y614 WeakPolarHBondContact O-CD2 3.37Å; V610-Y614 PolarHBondContact O-N 3.16Å; Y614-A616 PolarHBondContact O-N 2.68Å; Y614-F617 HydrophobicContact CD1-CD2 4.48Å; Y614-F617 PolarHBondContact O-N 3.1Å; Y614-F618 WeakPolarHBondContact O-CD2 3.28Å; Y614-F618 PolarHBondContact O-N 3.28Å; Y614-F640 HydrophobicContact CD1-CB 3.94Å; Y614-F640 HydrophobicContact CD1-CD1 4.19Å; Y614-F640 HydrophobicContact CD1-CD2 4.18Å; Y614-F640 AromaticContact CD1-CG 3.87Å; Y614-F640 HydrophobicContact CD1-CG 3.87Å; Y614-F640 HydrophobicContact CE1-CB 3.81Å; Y614-F640 AromaticContact CE1-CD1 3.67Å; Y614-F640 HydrophobicContact CE1-CD1 3.67Å; Y614-F640 HydrophobicContact CE1-CD2 4.46Å; Y614-F640 HydrophobicContact CE1-CE1 4.33Å; Y614-F640 AromaticContact CE1-CG 3.74Å; Y614-F640 HydrophobicContact CE1-CG 3.74Å; Y614-Q643 WeakPolarHBondContact OH-CB 3.25Å; Y614-Q643 PolarHBondContact OH-OE1 2.66Å; Y614-L644 HydrophobicContact CD1-CG 4.44Å; Y614-L644 HydrophobicContact CD2-CD2 3.43Å; Y614-L644 VanDerWaalsContact CD2-CD2 3.43Å; Y614-L644 HydrophobicContact CD2-CG 4.04Å; Y614-L644 HydrophobicContact CE2-CD2 3.88Å; Y614-L644 HydrophobicContact CE2-CG 4.21Å; Y614-L644 HydrophobicContact CG-CD1 4.43Å; Y614-L644 HydrophobicContact CG-CD2 3.82Å; Y614-L644 HydrophobicContact CG-CG 4.15Å
615	S	97.9	Very high	97.2	Very high	43 Å²	43	22.9 Å²	22.9	30%	0.301	12%	0.117	S	C	.	.	H	α-helix	trans	-57.3	-34.1	171.6	64.2	0	0	0	0	112.2	M611 Y612 D619	M611-S615 WeakPolarHBondContact O-CB 3.4Å; M611-S615 PolarHBondContact O-N 3.21Å; M611-S615 PolarHBondContact O-OG 3.34Å; Y612-S615 WeakPolarHBondContact CA-OG 3.35Å; Y612-S615 PolarHBondContact O-OG 3.31Å; S615-D619 VanDerWaalsContact O-CB 3.24Å; S615-D619 WeakPolarHBondContact O-CB 3.36Å; S615-D619 PolarHBondContact O-N 2.95Å
616	A	97.9	Very high	97	Very high	7 Å²	7	19.8 Å²	19.8	6%	0.058	10%	0.098	C	C	.	.	H	α-helix	trans	-65.9	-42.7	174.1	0	0	0	0	0	112.1	H613 Y614 D619 I620 L716	H613-A616 WeakPolarHBondContact O-CB 3.28Å; H613-A616 PolarHBondContact O-N 3.49Å; Y614-A616 PolarHBondContact O-N 2.68Å; A616-D619 PolarHBondContact O-N 3.28Å; A616-I620 VanDerWaalsContact O-CG1 3.24Å; A616-I620 WeakPolarHBondContact O-CG1 3.39Å; A616-I620 PolarHBondContact O-N 3Å; A616-L716 HydrophobicContact CB-CD1 4.28Å; A616-L716 HydrophobicContact CB-CD2 3.91Å
617	F	97.9	Very high	96.8	Very high	21 Å²	21	24.7 Å²	24.7	9%	0.092	12%	0.116	C	C	.	.	H	α-helix	trans	-67.4	-39.7	177.8	-77.4	-75.3	0	0	0	113.3	I436 L438 H613 Y614 I620 L621 F640 L716	I436-F617 HydrophobicContact CD1-CD1 4.39Å; I436-F617 HydrophobicContact CG2-CE1 4.2Å; L438-F617 HydrophobicContact CD1-CE1 3.82Å; L438-F617 HydrophobicContact CD1-CZ 3.88Å; H613-F617 AromaticContact CD2-CE2 3.89Å; H613-F617 AromaticContact CE1-CE2 3.96Å; H613-F617 AromaticContact NE2-CE2 3.44Å; H613-F617 WeakPolarHBondContact NE2-CE2 3.48Å; Y614-F617 HydrophobicContact CD1-CD2 4.48Å; Y614-F617 PolarHBondContact O-N 3.1Å; F617-I620 HydrophobicContact CD1-CD1 4.38Å; F617-I620 WeakPolarHBondContact O-CB 3.27Å; F617-I620 PolarHBondContact O-N 3.45Å; F617-L621 WeakPolarHBondContact O-CG 3.28Å; F617-L621 PolarHBondContact O-N 2.94Å; F617-L621 VanDerWaalsContact O-N 3.1Å; F617-F640 HydrophobicContact CB-CD2 4.49Å; F617-F640 HydrophobicContact CB-CE2 3.66Å; F617-F640 HydrophobicContact CB-CZ 3.75Å; F617-F640 AromaticContact CD1-CZ 3.88Å; F617-F640 HydrophobicContact CD1-CZ 3.88Å; F617-F640 HydrophobicContact CG-CE2 4.37Å; F617-F640 AromaticContact CG-CZ 3.97Å; F617-F640 HydrophobicContact CG-CZ 3.97Å; F617-L716 HydrophobicContact CE1-CD1 4.38Å; F617-L716 HydrophobicContact CE2-CD1 4.23Å; F617-L716 HydrophobicContact CE2-CD2 4.06Å; F617-L716 HydrophobicContact CZ-CB 4.34Å; F617-L716 HydrophobicContact CZ-CD1 4.08Å
618	F	98.1	Very high	96.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67.3	-39.5	175.5	-83.5	-96.8	0	0	0	111.7	D388 R391 L392 Y614 L621 D622 E636 F640	D388-F618 HydrophobicContact CB-CB 4.06Å; R391-F618 HydrophobicContact CB-CD1 3.83Å; R391-F618 HydrophobicContact CB-CE1 3.77Å; L392-F618 HydrophobicContact CB-CB 4.42Å; L392-F618 HydrophobicContact CB-CD1 4.15Å; L392-F618 HydrophobicContact CB-CD2 4.03Å; L392-F618 HydrophobicContact CB-CE1 4.43Å; L392-F618 HydrophobicContact CB-CE2 4.32Å; L392-F618 HydrophobicContact CB-CG 3.94Å; L392-F618 HydrophobicContact CD1-CD2 3.82Å; L392-F618 HydrophobicContact CD1-CE2 3.71Å; L392-F618 HydrophobicContact CD1-CZ 4.41Å; L392-F618 HydrophobicContact CG-CD2 4.41Å; Y614-F618 WeakPolarHBondContact O-CD2 3.28Å; Y614-F618 PolarHBondContact O-N 3.28Å; F618-L621 PolarHBondContact O-N 3.21Å; F618-D622 PolarHBondContact O-N 3.41Å; F618-E636 HydrophobicContact CD1-CG 4.16Å; F618-E636 HydrophobicContact CE1-CB 3.87Å; F618-E636 HydrophobicContact CE1-CG 3.6Å; F618-E636 HydrophobicContact CZ-CB 3.96Å; F618-E636 HydrophobicContact CZ-CG 3.98Å; F618-F640 HydrophobicContact CD2-CD2 4.29Å; F618-F640 HydrophobicContact CE2-CB 4.38Å; F618-F640 AromaticContact CE2-CD2 3.83Å; F618-F640 HydrophobicContact CE2-CD2 3.83Å; F618-F640 HydrophobicContact CZ-CD2 4.27Å
619	D	97.7	Very high	96.1	Very high	22 Å²	22	28.4 Å²	28.4	12%	0.118	14%	0.14	C	C	.	.	H	α-helix	trans	-66.5	-38.5	174.9	177.7	48.2	0	0	0	112	S615 A616 L621 D622 K623 W711 K712	S615-D619 VanDerWaalsContact O-CB 3.24Å; S615-D619 WeakPolarHBondContact O-CB 3.36Å; S615-D619 PolarHBondContact O-N 2.95Å; A616-D619 PolarHBondContact O-N 3.28Å; D619-L621 PolarHBondContact O-N 3.46Å; D619-D622 PolarHBondContact O-N 3.06Å; D619-K623 WeakPolarHBondContact O-CG 3.37Å; D619-K623 PolarHBondContact O-N 3.18Å; D619-K623 VanDerWaalsContact O-N 3.12Å; D619-K623 WeakPolarHBondContact OD1-CE 3.25Å; D619-W711 PolarHBondContact OD2-NE1 3.4Å; D619-K712 VanDerWaalsContact CG-NZ 3.29Å; D619-K712 IonicContact OD1-NZ 3.48Å; D619-K712 PolarHBondContact OD1-NZ 3.2Å; D619-K712 WeakPolarHBondContact OD2-CD 3.4Å; D619-K712 WeakPolarHBondContact OD2-CE 3.46Å; D619-K712 IonicContact OD2-NZ 3.59Å; D619-K712 PolarHBondContact OD2-NZ 2.96Å
620	I	97.6	Very high	95.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-53.8	-54.5	169.5	-75.8	163.4	0	0	0	110.1	I436 A616 F617 D622 K623 T624 Y698 W711 L716	I436-I620 HydrophobicContact CG1-CG2 4.04Å; A616-I620 VanDerWaalsContact O-CG1 3.24Å; A616-I620 WeakPolarHBondContact O-CG1 3.39Å; A616-I620 PolarHBondContact O-N 3Å; F617-I620 HydrophobicContact CD1-CD1 4.38Å; F617-I620 WeakPolarHBondContact O-CB 3.27Å; F617-I620 PolarHBondContact O-N 3.45Å; I620-D622 VanDerWaalsContact C-N 3.34Å; I620-D622 PolarHBondContact O-N 2.86Å; I620-K623 PolarHBondContact O-N 3.25Å; I620-T624 WeakPolarHBondContact O-CB 3.38Å; I620-T624 WeakPolarHBondContact O-CG2 3.36Å; I620-T624 PolarHBondContact O-N 3.17Å; I620-T624 VanDerWaalsContact O-N 3.08Å; I620-T624 PolarHBondContact O-OG1 3.37Å; I620-Y698 HydrophobicContact CD1-CE1 3.83Å; I620-Y698 HydrophobicContact CG1-CE1 4.24Å; I620-Y698 WeakPolarHBondContact CG2-OH 3.48Å; I620-W711 HydrophobicContact CB-CZ2 4.5Å; I620-W711 HydrophobicContact CD1-CB 4.04Å; I620-W711 HydrophobicContact CD1-CD2 4.03Å; I620-W711 HydrophobicContact CD1-CE3 4.19Å; I620-W711 HydrophobicContact CD1-CG 3.99Å; I620-W711 HydrophobicContact CG1-CB 4.34Å; I620-W711 HydrophobicContact CG1-CD2 3.35Å; I620-W711 HydrophobicContact CG1-CE3 3.52Å; I620-W711 HydrophobicContact CG1-CG 3.75Å; I620-W711 HydrophobicContact CG1-CH2 4.03Å; I620-W711 HydrophobicContact CG1-CZ2 3.93Å; I620-W711 HydrophobicContact CG1-CZ3 3.85Å; I620-L716 HydrophobicContact CD1-CD1 3.99Å
621	L	97.1	Very high	95.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.4	-37.2	-176	-69.7	175	0	0	0	111.9	V435 I436 F617 F618 D619 K623 T624 V625 R632 I635 E636 F640	V435-L621 HydrophobicContact CG2-CD2 4.15Å; I436-L621 HydrophobicContact CD1-CD2 4.34Å; F617-L621 WeakPolarHBondContact O-CG 3.28Å; F617-L621 PolarHBondContact O-N 2.94Å; F617-L621 VanDerWaalsContact O-N 3.1Å; F618-L621 PolarHBondContact O-N 3.21Å; D619-L621 PolarHBondContact O-N 3.46Å; L621-K623 VanDerWaalsContact C-N 3.3Å; L621-K623 PolarHBondContact O-N 3.47Å; L621-T624 PolarHBondContact O-N 3.35Å; L621-V625 HydrophobicContact CD2-CG2 3.96Å; L621-V625 PolarHBondContact O-N 2.87Å; L621-V625 VanDerWaalsContact O-O 3.1Å; L621-R632 HydrophobicContact CB-CG 4.43Å; L621-R632 HydrophobicContact CD1-CG 4.34Å; L621-R632 PolarHBondContact O-NH1 3.16Å; L621-I635 HydrophobicContact CD1-CG2 4.02Å; L621-E636 HydrophobicContact CD1-CG 3.69Å; L621-F640 HydrophobicContact CD1-CE2 3.74Å; L621-F640 HydrophobicContact CD1-CZ 4.46Å
622	D	95.9	Very high	95.4	Very high	30 Å²	30	32.2 Å²	32.2	16%	0.16	16%	0.159	C	C	.	.	H	α-helix	trans	-67.2	-32.4	178.4	-156.5	58.5	0	0	0	113	M318 D388 F618 D619 I620 R627 R632	M318-D622 VanDerWaalsContact CE-O 3.29Å; M318-D622 WeakPolarHBondContact CE-O 3.24Å; D388-D622 HydrophobicContact CB-CB 3.84Å; F618-D622 PolarHBondContact O-N 3.41Å; D619-D622 PolarHBondContact O-N 3.06Å; I620-D622 VanDerWaalsContact C-N 3.34Å; I620-D622 PolarHBondContact O-N 2.86Å; D622-R627 IonicContact OD1-CZ 3.42Å; D622-R627 IonicContact OD1-NE 3.58Å; D622-R627 PolarHBondContact OD1-NE 2.9Å; D622-R627 IonicContact OD1-NH2 3.43Å; D622-R627 PolarHBondContact OD1-NH2 3.21Å; D622-R627 IonicContact OD2-CZ 2.89Å; D622-R627 IonicContact OD2-NE 3.67Å; D622-R627 IonicContact OD2-NH2 3.83Å; D622-R627 PolarHBondContact OD2-NH2 3.29Å; D622-R632 IonicContact OD1-CZ 3.68Å; D622-R632 IonicContact OD1-NH1 3.8Å; D622-R632 PolarHBondContact OD1-NH1 3.16Å; D622-R632 IonicContact OD1-NH2 2.65Å; D622-R632 PolarHBondContact OD1-NH2 3.34Å; D622-R632 VanDerWaalsContact OD1-NH2 3.08Å
623	K	95.3	Very high	95.2	Very high	72 Å²	72	31.6 Å²	31.6	31%	0.313	16%	0.158	S	C	.	.	H	α-helix	trans	-83.4	-19.4	177.3	-67.5	-164.4	-170.4	-167	0	115	M318 D619 I620 L621 D697 W711	M318-K623 VanDerWaalsContact CE-C 3.43Å; M318-K623 WeakPolarHBondContact CE-O 3.49Å; D619-K623 WeakPolarHBondContact O-CG 3.37Å; D619-K623 PolarHBondContact O-N 3.18Å; D619-K623 VanDerWaalsContact O-N 3.12Å; D619-K623 WeakPolarHBondContact OD1-CE 3.25Å; I620-K623 PolarHBondContact O-N 3.25Å; L621-K623 VanDerWaalsContact C-N 3.3Å; L621-K623 PolarHBondContact O-N 3.47Å; K623-D697 IonicContact NZ-OD2 3.19Å; K623-D697 PolarHBondContact NZ-OD2 3.1Å; K623-W711 HydrophobicContact CB-CH2 4.48Å; K623-W711 HydrophobicContact CD-CH2 4.16Å; K623-W711 HydrophobicContact CD-CZ2 3.86Å
624	T	95.5	Very high	94.9	Very high	18 Å²	18	34.4 Å²	34.4	11%	0.11	17%	0.173	C	C	.	.	H	α-helix	trans	-121.3	-18.5	-169.1	59.5	0	0	0	0	114.4	I620 L621 H695	I620-T624 WeakPolarHBondContact O-CB 3.38Å; I620-T624 WeakPolarHBondContact O-CG2 3.36Å; I620-T624 PolarHBondContact O-N 3.17Å; I620-T624 VanDerWaalsContact O-N 3.08Å; I620-T624 PolarHBondContact O-OG1 3.37Å; L621-T624 PolarHBondContact O-N 3.35Å; T624-H695 HydrophobicContact CG2-CB 4.03Å
625	V	95.7	Very high	94.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-128.2	131.3	-178	-170.2	0	0	0	0	111.6	L431 V435 L621 N629 R632	L431-V625 HydrophobicContact CD1-CG1 4.36Å; L431-V625 HydrophobicContact CD1-CG2 4.05Å; L431-V625 HydrophobicContact CD2-CG1 4.32Å; V435-V625 HydrophobicContact CB-CG2 4.13Å; V435-V625 HydrophobicContact CG1-CG2 3.77Å; V435-V625 HydrophobicContact CG2-CG2 3.75Å; L621-V625 HydrophobicContact CD2-CG2 3.96Å; L621-V625 PolarHBondContact O-N 2.87Å; L621-V625 VanDerWaalsContact O-O 3.1Å; V625-N629 HydrophobicContact CG1-CB 3.62Å; V625-R632 HydrophobicContact CG1-CB 3.9Å; V625-R632 HydrophobicContact CG1-CG 4.42Å; V625-R632 PolarHBondContact O-NH1 3.45Å
626	P	93.7	Very high	94.6	Very high	10 Å²	10	32.4 Å²	32.4	7%	0.065	16%	0.159	C	C	.	.			trans	-49.4	140.4	171.1	-29.7	36.9	0	0	0	113.4	L314 M318 D628 N629	L314-P626 HydrophobicContact CD2-CG 4.39Å; M318-P626 HydrophobicContact SD-CG 4.11Å; P626-D628 VanDerWaalsContact CB-OD1 3.27Å; P626-D628 WeakPolarHBondContact CB-OD1 3.45Å; P626-D628 PolarHBondContact O-N 3.49Å; P626-N629 VanDerWaalsContact O-CB 3.23Å; P626-N629 WeakPolarHBondContact O-CB 3.31Å; P626-N629 PolarHBondContact O-N 3.01Å; P626-N629 VanDerWaalsContact O-N 3.13Å
627	R	91.1	Very high	94.2	Very high	105 Å²	105	37.3 Å²	37.3	40%	0.396	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.3	-175	-70.5	178.1	179.5	176.5	1.5	114.4	G386 R391 D622	G386-R627 WeakPolarHBondContact O-CD 3.14Å; G386-R627 PolarHBondContact O-NE 3.26Å; R391-R627 PolarHBondContact NH1-O 3.3Å; D622-R627 IonicContact OD1-CZ 3.42Å; D622-R627 IonicContact OD1-NE 3.58Å; D622-R627 PolarHBondContact OD1-NE 2.9Å; D622-R627 IonicContact OD1-NH2 3.43Å; D622-R627 PolarHBondContact OD1-NH2 3.21Å; D622-R627 IonicContact OD2-CZ 2.89Å; D622-R627 IonicContact OD2-NE 3.67Å; D622-R627 IonicContact OD2-NH2 3.83Å; D622-R627 PolarHBondContact OD2-NH2 3.29Å
628	D	88.9	Confident	93.7	Very high	119 Å²	119	36.9 Å²	36.9	64%	0.636	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-1.1	178.5	57	-39.7	0	0	0	113.4	K321 P626 E630	K321-D628 IonicContact NZ-OD1 3.84Å; P626-D628 VanDerWaalsContact CB-OD1 3.27Å; P626-D628 WeakPolarHBondContact CB-OD1 3.45Å; P626-D628 PolarHBondContact O-N 3.49Å; D628-E630 PolarHBondContact O-N 3.01Å
629	N	92.9	Very high	93.3	Very high	37 Å²	37	39.1 Å²	39.1	20%	0.198	19%	0.19	C	C	.	.			trans	-65.9	122.2	175.8	-176.7	-79.3	0	0	0	110.8	V625 P626 T631 R632 M633	V625-N629 HydrophobicContact CG1-CB 3.62Å; P626-N629 VanDerWaalsContact O-CB 3.23Å; P626-N629 WeakPolarHBondContact O-CB 3.31Å; P626-N629 PolarHBondContact O-N 3.01Å; P626-N629 VanDerWaalsContact O-N 3.13Å; N629-T631 PolarHBondContact O-N 3.49Å; N629-T631 WeakPolarHBondContact OD1-CA 3.07Å; N629-T631 WeakPolarHBondContact OD1-CB 3.49Å; N629-T631 PolarHBondContact OD1-N 3.18Å; N629-R632 HydrophobicContact CB-CB 4.07Å; N629-R632 WeakPolarHBondContact O-CB 3.4Å; N629-R632 PolarHBondContact O-N 3.07Å; N629-R632 PolarHBondContact OD1-N 3.41Å; N629-M633 PolarHBondContact O-N 2.87Å
630	E	91.7	Very high	93.2	Very high	117 Å²	117	38.8 Å²	38.8	55%	0.547	19%	0.187	S	C	.	.	H	α-helix	trans	-66.5	-37.2	-177.3	-62	-175.7	162.1	0	0	112.8	D628 R632 M633 L634	D628-E630 PolarHBondContact O-N 3.01Å; E630-R632 VanDerWaalsContact C-N 3.33Å; E630-R632 PolarHBondContact O-N 3.07Å; E630-M633 WeakPolarHBondContact O-CA 3.37Å; E630-M633 WeakPolarHBondContact O-CB 3.49Å; E630-M633 PolarHBondContact O-N 3.47Å; E630-L634 PolarHBondContact O-N 3.37Å; E630-L634 VanDerWaalsContact O-N 3.07Å
631	T	92.6	Very high	93.1	Very high	22 Å²	22	39.3 Å²	39.3	14%	0.135	19%	0.19	C	C	.	.	H	α-helix	trans	-66.8	-34.8	178.4	-51.2	0	0	0	0	111.5	K427 V428 L431 N629 M633 L634 I635	K427-T631 HydrophobicContact CB-CG2 4.29Å; V428-T631 HydrophobicContact CG2-CG2 4.09Å; L431-T631 HydrophobicContact CB-CG2 3.83Å; L431-T631 HydrophobicContact CD2-CG2 3.69Å; L431-T631 HydrophobicContact CG-CG2 4.4Å; N629-T631 PolarHBondContact O-N 3.49Å; N629-T631 WeakPolarHBondContact OD1-CA 3.07Å; N629-T631 WeakPolarHBondContact OD1-CB 3.49Å; N629-T631 PolarHBondContact OD1-N 3.18Å; T631-M633 VanDerWaalsContact C-N 3.28Å; T631-M633 PolarHBondContact O-N 3.05Å; T631-L634 WeakPolarHBondContact O-CB 3.49Å; T631-L634 PolarHBondContact O-N 3.38Å; T631-I635 WeakPolarHBondContact O-CG1 3.38Å; T631-I635 PolarHBondContact O-N 2.93Å
632	R	94.8	Very high	92.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.4	-42.5	169.3	178.3	-177.1	171.6	174.2	-5.6	111.1	L621 D622 V625 N629 E630 L634 I635 E636	L621-R632 HydrophobicContact CB-CG 4.43Å; L621-R632 HydrophobicContact CD1-CG 4.34Å; L621-R632 PolarHBondContact O-NH1 3.16Å; D622-R632 IonicContact OD1-CZ 3.68Å; D622-R632 IonicContact OD1-NH1 3.8Å; D622-R632 PolarHBondContact OD1-NH1 3.16Å; D622-R632 IonicContact OD1-NH2 2.65Å; D622-R632 PolarHBondContact OD1-NH2 3.34Å; D622-R632 VanDerWaalsContact OD1-NH2 3.08Å; V625-R632 HydrophobicContact CG1-CB 3.9Å; V625-R632 HydrophobicContact CG1-CG 4.42Å; V625-R632 PolarHBondContact O-NH1 3.45Å; N629-R632 HydrophobicContact CB-CB 4.07Å; N629-R632 WeakPolarHBondContact O-CB 3.4Å; N629-R632 PolarHBondContact O-N 3.07Å; N629-R632 PolarHBondContact OD1-N 3.41Å; E630-R632 VanDerWaalsContact C-N 3.33Å; E630-R632 PolarHBondContact O-N 3.07Å; R632-L634 VanDerWaalsContact C-N 3.34Å; R632-L634 PolarHBondContact O-N 3.37Å; R632-I635 PolarHBondContact O-N 3.21Å; R632-E636 WeakPolarHBondContact CG-OE1 3.34Å; R632-E636 IonicContact CZ-OE1 3.08Å; R632-E636 IonicContact NE-OE1 3.62Å; R632-E636 PolarHBondContact NE-OE1 2.95Å; R632-E636 IonicContact NH2-OE1 2.9Å; R632-E636 WeakPolarHBondContact O-CG 3.49Å; R632-E636 PolarHBondContact O-N 2.92Å
633	M	91.9	Very high	92.8	Very high	30 Å²	30	40.4 Å²	40.4	15%	0.148	20%	0.195	C	C	.	.	H	α-helix	trans	-64.9	-37.5	177.3	-61.7	178	66.2	0	0	112	N629 E630 T631 E636 R637	N629-M633 PolarHBondContact O-N 2.87Å; E630-M633 WeakPolarHBondContact O-CA 3.37Å; E630-M633 WeakPolarHBondContact O-CB 3.49Å; E630-M633 PolarHBondContact O-N 3.47Å; T631-M633 VanDerWaalsContact C-N 3.28Å; T631-M633 PolarHBondContact O-N 3.05Å; M633-E636 PolarHBondContact O-N 3.39Å; M633-R637 WeakPolarHBondContact O-CB 3.08Å; M633-R637 PolarHBondContact O-N 3.49Å
634	L	91.3	Very high	92.9	Very high	65 Å²	65	37 Å²	37	34%	0.34	18%	0.18	S	C	.	.	H	α-helix	trans	-63.5	-40	173.6	-69.5	173.7	0	0	0	112.2	V428 E630 T631 R632 G638 I639	V428-L634 HydrophobicContact CG2-CB 4.1Å; E630-L634 PolarHBondContact O-N 3.37Å; E630-L634 VanDerWaalsContact O-N 3.07Å; T631-L634 WeakPolarHBondContact O-CB 3.49Å; T631-L634 PolarHBondContact O-N 3.38Å; R632-L634 VanDerWaalsContact C-N 3.34Å; R632-L634 PolarHBondContact O-N 3.37Å; L634-G638 WeakPolarHBondContact O-CA 3.29Å; L634-G638 PolarHBondContact O-N 3.4Å; L634-I639 PolarHBondContact O-N 2.95Å
635	I	93.5	Very high	93	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.015	18%	0.177	C	C	.	.	I	π-helix	trans	-62.2	-53.5	175.3	-68	171.9	0	0	0	110.3	V428 L431 L621 T631 R632 I639 F640	V428-I635 HydrophobicContact CB-CG1 4.41Å; V428-I635 HydrophobicContact CG1-CD1 4.2Å; V428-I635 HydrophobicContact CG1-CG1 3.66Å; V428-I635 HydrophobicContact CG2-CG1 4.12Å; L431-I635 HydrophobicContact CD2-CD1 3.8Å; L431-I635 HydrophobicContact CG-CD1 4.24Å; L621-I635 HydrophobicContact CD1-CG2 4.02Å; T631-I635 WeakPolarHBondContact O-CG1 3.38Å; T631-I635 PolarHBondContact O-N 2.93Å; R632-I635 PolarHBondContact O-N 3.21Å; I635-I639 WeakPolarHBondContact O-CB 3.35Å; I635-I639 PolarHBondContact O-N 2.92Å; I635-I639 VanDerWaalsContact O-N 3.08Å; I635-F640 HydrophobicContact CG2-CD1 4.18Å; I635-F640 HydrophobicContact CG2-CD2 4.04Å; I635-F640 HydrophobicContact CG2-CE1 3.78Å; I635-F640 HydrophobicContact CG2-CE2 3.61Å; I635-F640 HydrophobicContact CG2-CG 4.31Å; I635-F640 HydrophobicContact CG2-CZ 3.47Å; I635-F640 VanDerWaalsContact CG2-CZ 3.47Å; I635-F640 PolarHBondContact O-N 3.29Å
636	E	95	Very high	93.1	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.014	18%	0.177	C	C	.	.	I	π-helix	trans	-72.3	-46.8	-172.6	-66.8	172.8	-176.2	0	0	112.9	R391 F618 L621 R632 M633 F640 L641	R391-E636 IonicContact CZ-OE1 3.52Å; R391-E636 IonicContact CZ-OE2 3.29Å; R391-E636 IonicContact NE-OE1 3.6Å; R391-E636 PolarHBondContact NE-OE1 3.21Å; R391-E636 IonicContact NE-OE2 2.8Å; R391-E636 PolarHBondContact NE-OE2 2.94Å; R391-E636 IonicContact NH2-OE1 3.75Å; R391-E636 IonicContact NH2-OE2 3.75Å; R391-E636 PolarHBondContact NH2-OE2 3.25Å; F618-E636 HydrophobicContact CD1-CG 4.16Å; F618-E636 HydrophobicContact CE1-CB 3.87Å; F618-E636 HydrophobicContact CE1-CG 3.6Å; F618-E636 HydrophobicContact CZ-CB 3.96Å; F618-E636 HydrophobicContact CZ-CG 3.98Å; L621-E636 HydrophobicContact CD1-CG 3.69Å; R632-E636 WeakPolarHBondContact CG-OE1 3.34Å; R632-E636 IonicContact CZ-OE1 3.08Å; R632-E636 IonicContact NE-OE1 3.62Å; R632-E636 PolarHBondContact NE-OE1 2.95Å; R632-E636 IonicContact NH2-OE1 2.9Å; R632-E636 WeakPolarHBondContact O-CG 3.49Å; R632-E636 PolarHBondContact O-N 2.92Å; M633-E636 PolarHBondContact O-N 3.39Å; E636-F640 HydrophobicContact CG-CD2 4.32Å; E636-L641 PolarHBondContact O-N 3.05Å
637	R	90.2	Very high	93.2	Very high	109 Å²	109	36 Å²	36	41%	0.411	17%	0.174	S	C	.	.	I	π-helix	trans	-91.9	-17.5	-175.4	-63.3	-174.2	65	-177.2	-0.4	114.1	M633 L641	M633-R637 WeakPolarHBondContact O-CB 3.08Å; M633-R637 PolarHBondContact O-N 3.49Å; R637-L641 WeakPolarHBondContact O-CB 3.46Å; R637-L641 WeakPolarHBondContact O-CD2 3.44Å
638	G	86.8	Confident	93.6	Very high	13 Å²	13	31 Å²	31	13%	0.134	16%	0.155	C	C	.	.	I	π-helix	trans	-92.6	-72	171.6	0	0	0	0	0	110.1	L634 C642	L634-G638 WeakPolarHBondContact O-CA 3.29Å; L634-G638 PolarHBondContact O-N 3.4Å; G638-C642 WeakPolarHBondContact O-CB 3.49Å; G638-C642 PolarHBondContact O-N 3.27Å; G638-C642 VanDerWaalsContact O-N 3.14Å
639	I	90.5	Very high	94	Very high	47 Å²	47	26 Å²	26	24%	0.241	13%	0.13	C	C	.	.	I	π-helix	trans	-77.2	-53.6	-166.5	-58.7	-180	0	0	0	112.3	V428 L634 I635 C642 Q643	V428-I639 HydrophobicContact CB-CD1 4.41Å; V428-I639 HydrophobicContact CG1-CD1 3.55Å; V428-I639 HydrophobicContact CG2-CD1 4.41Å; L634-I639 PolarHBondContact O-N 2.95Å; I635-I639 WeakPolarHBondContact O-CB 3.35Å; I635-I639 PolarHBondContact O-N 2.92Å; I635-I639 VanDerWaalsContact O-N 3.08Å; I639-C642 WeakPolarHBondContact O-CB 3.42Å; I639-C642 PolarHBondContact O-N 2.92Å; I639-Q643 WeakPolarHBondContact O-CG 3.34Å; I639-Q643 PolarHBondContact O-N 2.95Å; I639-Q643 VanDerWaalsContact O-N 3.11Å
640	F	95	Very high	94.1	Very high	14 Å²	14	24.2 Å²	24.2	6%	0.061	12%	0.12	C	C	.	.	I	π-helix	trans	-66.7	-44.8	-178.2	-65.1	-12.3	0	0	0	111.2	Y614 F617 F618 L621 I635 E636 C642 Q643 L644	Y614-F640 HydrophobicContact CD1-CB 3.94Å; Y614-F640 HydrophobicContact CD1-CD1 4.19Å; Y614-F640 HydrophobicContact CD1-CD2 4.18Å; Y614-F640 AromaticContact CD1-CG 3.87Å; Y614-F640 HydrophobicContact CD1-CG 3.87Å; Y614-F640 HydrophobicContact CE1-CB 3.81Å; Y614-F640 AromaticContact CE1-CD1 3.67Å; Y614-F640 HydrophobicContact CE1-CD1 3.67Å; Y614-F640 HydrophobicContact CE1-CD2 4.46Å; Y614-F640 HydrophobicContact CE1-CE1 4.33Å; Y614-F640 AromaticContact CE1-CG 3.74Å; Y614-F640 HydrophobicContact CE1-CG 3.74Å; F617-F640 HydrophobicContact CB-CD2 4.49Å; F617-F640 HydrophobicContact CB-CE2 3.66Å; F617-F640 HydrophobicContact CB-CZ 3.75Å; F617-F640 AromaticContact CD1-CZ 3.88Å; F617-F640 HydrophobicContact CD1-CZ 3.88Å; F617-F640 HydrophobicContact CG-CE2 4.37Å; F617-F640 AromaticContact CG-CZ 3.97Å; F617-F640 HydrophobicContact CG-CZ 3.97Å; F618-F640 HydrophobicContact CD2-CD2 4.29Å; F618-F640 HydrophobicContact CE2-CB 4.38Å; F618-F640 AromaticContact CE2-CD2 3.83Å; F618-F640 HydrophobicContact CE2-CD2 3.83Å; F618-F640 HydrophobicContact CZ-CD2 4.27Å; L621-F640 HydrophobicContact CD1-CE2 3.74Å; L621-F640 HydrophobicContact CD1-CZ 4.46Å; I635-F640 HydrophobicContact CG2-CD1 4.18Å; I635-F640 HydrophobicContact CG2-CD2 4.04Å; I635-F640 HydrophobicContact CG2-CE1 3.78Å; I635-F640 HydrophobicContact CG2-CE2 3.61Å; I635-F640 HydrophobicContact CG2-CG 4.31Å; I635-F640 HydrophobicContact CG2-CZ 3.47Å; I635-F640 VanDerWaalsContact CG2-CZ 3.47Å; I635-F640 PolarHBondContact O-N 3.29Å; E636-F640 HydrophobicContact CG-CD2 4.32Å; F640-C642 VanDerWaalsContact C-N 3.27Å; F640-C642 PolarHBondContact O-N 3.34Å; F640-Q643 PolarHBondContact O-N 3.45Å; F640-L644 WeakPolarHBondContact O-CB 3.41Å; F640-L644 VanDerWaalsContact O-CG 3.29Å; F640-L644 WeakPolarHBondContact O-CG 3.48Å; F640-L644 PolarHBondContact O-N 2.8Å
641	L	94.7	Very high	94.2	Very high	12 Å²	12	22.3 Å²	22.3	6%	0.063	11%	0.112	C	C	.	.	H	α-helix	trans	-57.5	-40.6	175	-178	60.9	0	0	0	112	C395 L415 E636 R637 Q643 L644 L645	C395-L641 HydrophobicContact CB-CD1 3.97Å; L415-L641 HydrophobicContact CD2-CB 4.4Å; L415-L641 HydrophobicContact CD2-CD2 4.4Å; L415-L641 HydrophobicContact CD2-CG 4.14Å; E636-L641 PolarHBondContact O-N 3.05Å; R637-L641 WeakPolarHBondContact O-CB 3.46Å; R637-L641 WeakPolarHBondContact O-CD2 3.44Å; L641-Q643 PolarHBondContact O-N 2.66Å; L641-L644 PolarHBondContact O-N 3.37Å; L641-L645 WeakPolarHBondContact O-CB 3.09Å; L641-L645 PolarHBondContact O-N 3.13Å
642	C	92.8	Very high	94	Very high	11 Å²	11	23.4 Å²	23.4	7%	0.074	13%	0.127	C	C	.	.	H	α-helix	trans	-61.4	-44.9	176.8	-173	0	0	0	0	112.2	Y412 L415 G638 I639 F640 N646	Y412-C642 WeakPolarHBondContact CD2-O 3.48Å; Y412-C642 WeakPolarHBondContact CE2-O 3.36Å; Y412-C642 WeakPolarHBondContact CE2-SG 3.48Å; L415-C642 VanDerWaalsContact CD2-CA 3.48Å; L415-C642 HydrophobicContact CD2-CB 3.58Å; L415-C642 HydrophobicContact CG-CB 3.91Å; G638-C642 WeakPolarHBondContact O-CB 3.49Å; G638-C642 PolarHBondContact O-N 3.27Å; G638-C642 VanDerWaalsContact O-N 3.14Å; I639-C642 WeakPolarHBondContact O-CB 3.42Å; I639-C642 PolarHBondContact O-N 2.92Å; F640-C642 VanDerWaalsContact C-N 3.27Å; F640-C642 PolarHBondContact O-N 3.34Å; C642-N646 PolarHBondContact O-N 3.48Å
643	Q	95.2	Very high	93.7	Very high	41 Å²	41	27.6 Å²	27.6	19%	0.192	16%	0.156	C	C	.	.	H	α-helix	trans	-67.5	-46.4	177.5	-66.5	169.3	-13.6	0	0	111.7	Y614 I639 F640 L641 L645 N646 V647 E657	Y614-Q643 WeakPolarHBondContact OH-CB 3.25Å; Y614-Q643 PolarHBondContact OH-OE1 2.66Å; I639-Q643 WeakPolarHBondContact O-CG 3.34Å; I639-Q643 PolarHBondContact O-N 2.95Å; I639-Q643 VanDerWaalsContact O-N 3.11Å; F640-Q643 PolarHBondContact O-N 3.45Å; L641-Q643 PolarHBondContact O-N 2.66Å; Q643-L645 PolarHBondContact O-N 3.26Å; Q643-N646 PolarHBondContact O-N 2.81Å; Q643-V647 WeakPolarHBondContact O-CG2 3.45Å; Q643-V647 PolarHBondContact O-N 3Å; Q643-E657 HydrophobicContact CB-CG 4.41Å
644	L	97.9	Very high	93.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.5	-45.9	176.5	-75.9	170.9	0	0	0	112.1	L392 C395 L396 V610 Y614 F640 L641 N646 V647 I648	L392-L644 HydrophobicContact CD1-CD1 4.28Å; C395-L644 HydrophobicContact CB-CD1 3.87Å; L396-L644 HydrophobicContact CD2-CD1 4.45Å; L396-L644 HydrophobicContact CD2-CD2 3.91Å; V610-L644 HydrophobicContact CG1-CD2 4.46Å; V610-L644 HydrophobicContact CG2-CD2 3.76Å; Y614-L644 HydrophobicContact CD1-CG 4.44Å; Y614-L644 HydrophobicContact CD2-CD2 3.43Å; Y614-L644 VanDerWaalsContact CD2-CD2 3.43Å; Y614-L644 HydrophobicContact CD2-CG 4.04Å; Y614-L644 HydrophobicContact CE2-CD2 3.88Å; Y614-L644 HydrophobicContact CE2-CG 4.21Å; Y614-L644 HydrophobicContact CG-CD1 4.43Å; Y614-L644 HydrophobicContact CG-CD2 3.82Å; Y614-L644 HydrophobicContact CG-CG 4.15Å; F640-L644 WeakPolarHBondContact O-CB 3.41Å; F640-L644 VanDerWaalsContact O-CG 3.29Å; F640-L644 WeakPolarHBondContact O-CG 3.48Å; F640-L644 PolarHBondContact O-N 2.8Å; L641-L644 PolarHBondContact O-N 3.37Å; L644-N646 VanDerWaalsContact C-N 3.32Å; L644-N646 PolarHBondContact O-N 3.39Å; L644-V647 PolarHBondContact O-N 3.5Å; L644-I648 HydrophobicContact CD2-CD1 4.33Å; L644-I648 WeakPolarHBondContact O-CB 3.39Å; L644-I648 WeakPolarHBondContact O-CG1 3.24Å; L644-I648 PolarHBondContact O-N 3.22Å
645	L	97.3	Very high	93.9	Very high	9 Å²	9	27.5 Å²	27.5	5%	0.047	15%	0.153	C	C	.	.	H	α-helix	trans	-61.2	-42	179.8	-178	68.4	0	0	0	111.3	C399 A402 L411 L641 Q643 A649	C399-L645 PolarHBondContact SG-N 3.29Å; A402-L645 HydrophobicContact CB-CD1 3.59Å; L411-L645 HydrophobicContact CB-CD2 3.66Å; L641-L645 WeakPolarHBondContact O-CB 3.09Å; L641-L645 PolarHBondContact O-N 3.13Å; Q643-L645 PolarHBondContact O-N 3.26Å; L645-A649 HydrophobicContact CD1-CB 3.8Å; L645-A649 WeakPolarHBondContact O-CA 3.37Å; L645-A649 VanDerWaalsContact O-CB 3.31Å; L645-A649 WeakPolarHBondContact O-CB 3.25Å; L645-A649 PolarHBondContact O-N 3.42Å
646	N	96.4	Very high	93.9	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.4	-44.1	176.4	-169.7	-96.9	0	0	0	112.2	Y412 C642 Q643 L644 C650 E654 I656 E657	Y412-N646 WeakPolarHBondContact CD1-ND2 3.37Å; Y412-N646 HydrophobicContact CD2-CB 3.73Å; Y412-N646 HydrophobicContact CE1-CB 4.46Å; Y412-N646 VanDerWaalsContact CE1-ND2 3.34Å; Y412-N646 WeakPolarHBondContact CE1-ND2 3.46Å; Y412-N646 HydrophobicContact CE2-CB 3.56Å; Y412-N646 HydrophobicContact CG-CB 4.26Å; C642-N646 PolarHBondContact O-N 3.48Å; Q643-N646 PolarHBondContact O-N 2.81Å; L644-N646 VanDerWaalsContact C-N 3.32Å; L644-N646 PolarHBondContact O-N 3.39Å; N646-C650 VanDerWaalsContact O-CB 3.28Å; N646-C650 WeakPolarHBondContact O-CB 3.41Å; N646-C650 PolarHBondContact O-N 3.43Å; N646-E654 PolarHBondContact ND2-O 3.08Å; N646-I656 PolarHBondContact OD1-N 2.87Å; N646-E657 HydrophobicContact CB-CB 4.33Å; N646-E657 HydrophobicContact CB-CG 3.97Å; N646-E657 PolarHBondContact OD1-N 3.36Å
647	V	97.6	Very high	93.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.2	-43.7	179.3	176.9	0	0	0	0	111.4	F598 R606 V610 Q643 L644 E657	F598-V647 HydrophobicContact CB-CG1 4.33Å; F598-V647 HydrophobicContact CD2-CG1 3.88Å; F598-V647 HydrophobicContact CD2-CG2 3.79Å; F598-V647 HydrophobicContact CE2-CG2 3.91Å; R606-V647 VanDerWaalsContact CD-O 3.31Å; R606-V647 WeakPolarHBondContact CD-O 3.49Å; R606-V647 HydrophobicContact CG-CG1 3.53Å; R606-V647 PolarHBondContact NH1-O 3.39Å; V610-V647 HydrophobicContact CB-CG1 3.85Å; V610-V647 HydrophobicContact CG1-CG1 3.97Å; V610-V647 HydrophobicContact CG2-CB 4.12Å; V610-V647 HydrophobicContact CG2-CG1 3.84Å; V610-V647 HydrophobicContact CG2-CG2 4.2Å; Q643-V647 WeakPolarHBondContact O-CG2 3.45Å; Q643-V647 PolarHBondContact O-N 3Å; L644-V647 PolarHBondContact O-N 3.5Å; V647-E657 HydrophobicContact CG2-CB 3.5Å; V647-E657 HydrophobicContact CG2-CG 4.48Å
648	I	98.1	Very high	94.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-90.7	-39.9	-169	-65.8	170.4	0	0	0	112.5	L396 C399 L400 R403 F603 F607 V610 L644	L396-I648 HydrophobicContact CD2-CD1 3.36Å; C399-I648 HydrophobicContact CB-CB 3.9Å; C399-I648 HydrophobicContact CB-CD1 3.89Å; C399-I648 HydrophobicContact CB-CG1 4.5Å; C399-I648 HydrophobicContact CB-CG2 3.78Å; L400-I648 HydrophobicContact CD2-CG2 4.19Å; R403-I648 WeakPolarHBondContact CD-O 3.37Å; R403-I648 PolarHBondContact NH1-O 3.12Å; F603-I648 HydrophobicContact CE2-CG2 4.1Å; F603-I648 HydrophobicContact CZ-CG2 4.48Å; F607-I648 HydrophobicContact CD2-CD1 4.02Å; F607-I648 HydrophobicContact CD2-CG1 4.2Å; F607-I648 HydrophobicContact CD2-CG2 4.38Å; F607-I648 HydrophobicContact CE2-CD1 4.12Å; V610-I648 HydrophobicContact CG1-CD1 3.99Å; V610-I648 HydrophobicContact CG1-CG1 3.91Å; L644-I648 HydrophobicContact CD2-CD1 4.33Å; L644-I648 WeakPolarHBondContact O-CB 3.39Å; L644-I648 WeakPolarHBondContact O-CG1 3.24Å; L644-I648 PolarHBondContact O-N 3.22Å
649	A	97.2	Very high	94.6	Very high	12 Å²	12	24.8 Å²	24.8	10%	0.099	14%	0.143	C	C	.	.	H	α-helix	trans	-106.6	-11.5	-169.6	0	0	0	0	0	114.5	A402 R403 L645	A402-A649 HydrophobicContact CB-CB 3.87Å; R403-A649 HydrophobicContact CB-CB 4.16Å; L645-A649 HydrophobicContact CD1-CB 3.8Å; L645-A649 WeakPolarHBondContact O-CA 3.37Å; L645-A649 VanDerWaalsContact O-CB 3.31Å; L645-A649 WeakPolarHBondContact O-CB 3.25Å; L645-A649 PolarHBondContact O-N 3.42Å
650	C	95.9	Very high	94.9	Very high	1 Å²	1	23 Å²	23	1%	0.007	13%	0.133	C	C	.	.			trans	-101.1	155	175.5	-54	0	0	0	0	111.2	G408 R606 N646 E654 R655	G408-C650 VanDerWaalsContact C-SG 3.59Å; R606-C650 PolarHBondContact NH1-O 3.41Å; N646-C650 VanDerWaalsContact O-CB 3.28Å; N646-C650 WeakPolarHBondContact O-CB 3.41Å; N646-C650 PolarHBondContact O-N 3.43Å; C650-E654 HydrophobicContact CB-CB 4.4Å; C650-R655 HydrophobicContact CB-CB 4.14Å
651	E	92.3	Very high	95	Very high	77 Å²	77	24.8 Å²	24.8	36%	0.36	14%	0.144	S	C	.	.			trans	-137.5	168.5	178.3	-63.8	-63.1	-178.1	0	0	111.7	R403 R606 S653 E654 R655	R403-E651 IonicContact CZ-OE1 3.06Å; R403-E651 IonicContact NH1-OE1 2.66Å; R403-E651 PolarHBondContact NH1-OE1 3.48Å; R403-E651 IonicContact NH2-OE1 3.56Å; R403-E651 PolarHBondContact NH2-OE1 3.3Å; R606-E651 IonicContact CZ-OE1 2.75Å; R606-E651 IonicContact CZ-OE2 3.7Å; R606-E651 IonicContact NH1-OE1 3.55Å; R606-E651 PolarHBondContact NH1-OE1 3.49Å; R606-E651 IonicContact NH1-OE2 2.8Å; R606-E651 PolarHBondContact NH1-OE2 3.49Å; R606-E651 VanDerWaalsContact NH1-OE2 3.12Å; R606-E651 IonicContact NH2-OE1 3.9Å; R606-E651 PolarHBondContact NH2-OE1 3.42Å; R606-E651 IonicContact NH2-OE2 3.88Å; R606-E651 PolarHBondContact NH2-OE2 3.37Å; E651-S653 PolarHBondContact O-N 3.43Å; E651-E654 PolarHBondContact O-N 3.03Å; E651-R655 PolarHBondContact O-N 2.91Å
652	G	89.9	Confident	95.1	Very high	44 Å²	44	25.1 Å²	25.1	45%	0.454	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	55.8	-137	176.8	0	0	0	0	0	112.8	E654 R655 R658	G652-E654 VanDerWaalsContact C-N 3.27Å; G652-E654 PolarHBondContact O-N 3.36Å; G652-R655 PolarHBondContact O-N 3.11Å; G652-R658 PolarHBondContact O-NH2 2.89Å
653	S	88.9	Confident	95.4	Very high	88 Å²	88	30.5 Å²	30.5	62%	0.615	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-66.7	-23.8	178.8	53.7	0	0	0	0	114.1	E651 R655	E651-S653 PolarHBondContact O-N 3.43Å; S653-R655 VanDerWaalsContact C-N 3.31Å
654	E	92	Very high	95.4	Very high	90 Å²	90	32.9 Å²	32.9	42%	0.421	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-75.8	-21.5	179.7	-63.5	-64.7	119.7	0	0	112.3	S409 N646 C650 E651 G652 I656	S409-E654 WeakPolarHBondContact OG-CB 3.26Å; N646-E654 PolarHBondContact ND2-O 3.08Å; C650-E654 HydrophobicContact CB-CB 4.4Å; E651-E654 PolarHBondContact O-N 3.03Å; G652-E654 VanDerWaalsContact C-N 3.27Å; G652-E654 PolarHBondContact O-N 3.36Å; E654-I656 PolarHBondContact O-N 3.12Å
655	R	94.6	Very high	95.4	Very high	4 Å²	4	33 Å²	33	2%	0.015	18%	0.176	C	C	.	.			trans	-79.7	110.5	169.2	-175.9	170.1	70.7	106.1	-3.2	109.3	F598 G599 T600 C650 E651 G652 S653 R658	F598-R655 PolarHBondContact O-NH1 2.9Å; G599-R655 PolarHBondContact O-NH1 3.18Å; G599-R655 PolarHBondContact O-NH2 3.42Å; T600-R655 PolarHBondContact O-NH2 3.43Å; C650-R655 HydrophobicContact CB-CB 4.14Å; E651-R655 PolarHBondContact O-N 2.91Å; G652-R655 PolarHBondContact O-N 3.11Å; S653-R655 VanDerWaalsContact C-N 3.31Å; R655-R658 PolarHBondContact O-NE 3.25Å; R655-R658 PolarHBondContact O-NH2 3.46Å
656	I	92.7	Very high	95.5	Very high	54 Å²	54	34.5 Å²	34.5	28%	0.277	18%	0.183	S	C	.	.			trans	-107.8	-23.9	-178.6	73.4	169.5	0	0	0	113	Y412 N562 N646 E654 R658	Y412-I656 HydrophobicContact CE1-CD1 4Å; Y412-I656 HydrophobicContact CE1-CG1 4.22Å; Y412-I656 WeakPolarHBondContact OH-CD1 3.47Å; Y412-I656 WeakPolarHBondContact OH-CG1 3.29Å; N562-I656 VanDerWaalsContact CA-O 3.31Å; N562-I656 WeakPolarHBondContact CA-O 3.43Å; N562-I656 PolarHBondContact ND2-O 2.59Å; N646-I656 PolarHBondContact OD1-N 2.87Å; E654-I656 PolarHBondContact O-N 3.12Å; I656-R658 PolarHBondContact O-N 3.17Å; I656-R658 VanDerWaalsContact O-N 3.1Å
657	E	95.1	Very high	95.5	Very high	11 Å²	11	37.4 Å²	37.4	5%	0.051	20%	0.203	C	C	.	.			trans	-79.4	93.4	178.9	-70.9	-65.3	146.1	0	0	110.2	K561 N562 Q643 N646 V647	K561-E657 WeakPolarHBondContact CD-OE2 2.99Å; K561-E657 VanDerWaalsContact CE-OE2 3.28Å; K561-E657 WeakPolarHBondContact CE-OE2 3.34Å; K561-E657 IonicContact NZ-OE1 3.77Å; K561-E657 IonicContact NZ-OE2 2.71Å; K561-E657 PolarHBondContact NZ-OE2 2.89Å; N562-E657 PolarHBondContact ND2-OE1 3.25Å; Q643-E657 HydrophobicContact CB-CG 4.41Å; N646-E657 HydrophobicContact CB-CB 4.33Å; N646-E657 HydrophobicContact CB-CG 3.97Å; N646-E657 PolarHBondContact OD1-N 3.36Å; V647-E657 HydrophobicContact CG2-CB 3.5Å; V647-E657 HydrophobicContact CG2-CG 4.48Å
658	R	96	Very high	95.5	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.015	21%	0.206	C	C	.	.			trans	-131.2	59.6	-172.1	-64.6	167	172.6	-88.8	0.9	112.5	K561 D565 T567 R574 G652 R655 I656	K561-R658 CarbonylContact O-C 3.51Å; K561-R658 WeakPolarHBondContact O-CA 3.46Å; K561-R658 PolarHBondContact O-N 3.21Å; D565-R658 VanDerWaalsContact CG-NH1 3.34Å; D565-R658 IonicContact OD1-CZ 2.74Å; D565-R658 IonicContact OD1-NH1 3.44Å; D565-R658 PolarHBondContact OD1-NH1 3.43Å; D565-R658 WeakPolarHBondContact OD2-CD 3.18Å; D565-R658 IonicContact OD2-CZ 3.04Å; D565-R658 IonicContact OD2-NH1 2.62Å; D565-R658 PolarHBondContact OD2-NH1 2.86Å; T567-R658 PolarHBondContact OG1-NH1 3.34Å; R574-R658 PolarHBondContact NH2-O 3.17Å; G652-R658 PolarHBondContact O-NH2 2.89Å; R655-R658 PolarHBondContact O-NE 3.25Å; R655-R658 PolarHBondContact O-NH2 3.46Å; I656-R658 PolarHBondContact O-N 3.17Å; I656-R658 VanDerWaalsContact O-N 3.1Å
659	P	96.8	Very high	95.5	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	21%	0.206	C	C	.	.			trans	-63	154.1	178.3	24.9	-29.1	0	0	0	112	K561 V594 G596 F598 G599	K561-P659 HydrophobicContact CB-CB 4.13Å; V594-P659 HydrophobicContact CB-CB 4.37Å; V594-P659 HydrophobicContact CG1-CB 4.28Å; V594-P659 WeakPolarHBondContact O-CB 3.31Å; G596-P659 CarbonylContact O-C 3.43Å; G596-P659 VanDerWaalsContact O-C 3.23Å; G596-P659 VanDerWaalsContact O-O 3.04Å; F598-P659 HydrophobicContact CD1-CG 4.18Å; F598-P659 HydrophobicContact CD2-CG 3.58Å; F598-P659 HydrophobicContact CE1-CG 3.73Å; F598-P659 VanDerWaalsContact CE2-CD 3.44Å; F598-P659 HydrophobicContact CE2-CG 3.1Å; F598-P659 HydrophobicContact CG-CG 4.12Å; F598-P659 HydrophobicContact CZ-CB 4.43Å; F598-P659 HydrophobicContact CZ-CG 3.19Å; G599-P659 PolarHBondContact N-O 3.41Å
660	E	96.3	Very high	95.5	Very high	9 Å²	9	41.5 Å²	41.5	4%	0.042	22%	0.222	C	C	.	.			trans	-125.8	156	172.3	-68.9	-176.8	164.3	0	0	109.3	R574 G596 K664 R668	R574-E660 IonicContact CZ-OE1 3.17Å; R574-E660 IonicContact NH1-OE1 2.67Å; R574-E660 PolarHBondContact NH1-OE1 3.35Å; R574-E660 IonicContact NH1-OE2 2.93Å; G596-E660 CarbonylContact O-C 3.59Å; G596-E660 WeakPolarHBondContact O-CA 3.4Å; G596-E660 PolarHBondContact O-N 2.69Å; E660-K664 HydrophobicContact CB-CB 4.32Å; E660-K664 HydrophobicContact CB-CD 4.27Å; E660-K664 HydrophobicContact CG-CD 3.98Å; E660-K664 WeakPolarHBondContact OE1-CD 3.35Å; E660-K664 WeakPolarHBondContact OE1-CE 3.33Å; E660-K664 IonicContact OE1-NZ 3.35Å; E660-K664 PolarHBondContact OE1-NZ 3.16Å; E660-K664 WeakPolarHBondContact OE2-CD 3.23Å; E660-K664 WeakPolarHBondContact OE2-CG 3.42Å; E660-R668 IonicContact OE1-CZ 2.65Å; E660-R668 IonicContact OE1-NE 2.94Å; E660-R668 IonicContact OE1-NH2 2.63Å; E660-R668 PolarHBondContact OE1-NH2 2.89Å; E660-R668 IonicContact OE2-CZ 3.9Å; E660-R668 IonicContact OE2-NE 3.68Å; E660-R668 PolarHBondContact OE2-NE 3.11Å; E660-R668 IonicContact OE2-NH2 2.58Å; E660-R668 PolarHBondContact OE2-NH2 2.91Å
661	N	96.5	Very high	95.5	Very high	52 Å²	52	47.4 Å²	47.4	28%	0.278	25%	0.253	S	S	.	.			trans	-69.7	157.6	174.4	66.9	58.4	0	0	0	112	N595 G596 K663 K664 W665	N595-N661 VanDerWaalsContact OD1-CA 3.24Å; N595-N661 WeakPolarHBondContact OD1-CA 3.43Å; G596-N661 PolarHBondContact O-N 2.93Å; N661-K663 VanDerWaalsContact C-N 3.25Å; N661-K663 PolarHBondContact O-N 3.41Å; N661-K663 WeakPolarHBondContact OD1-CB 3.31Å; N661-K663 PolarHBondContact OD1-N 3Å; N661-K664 PolarHBondContact O-N 3.43Å; N661-K664 VanDerWaalsContact O-N 3.15Å; N661-K664 PolarHBondContact OD1-N 3.38Å; N661-W665 PolarHBondContact O-N 3.44Å; N661-W665 VanDerWaalsContact O-N 3.13Å
662	Y	98	Very high	95.7	Very high	20 Å²	20	44 Å²	44	8%	0.078	24%	0.238	C	C	.	.	H	α-helix	trans	-61.4	-29.8	-177.4	72	-82.9	0	0	0	113.8	I593 N595 W665 K666 D703 W706 L708 I715 A718	I593-Y662 VanDerWaalsContact CD1-CA 3.47Å; N595-Y662 WeakPolarHBondContact OD1-CD1 3.48Å; N595-Y662 PolarHBondContact OD1-N 3.31Å; N595-Y662 VanDerWaalsContact OD1-N 3.11Å; Y662-W665 PolarHBondContact O-N 3.13Å; Y662-K666 WeakPolarHBondContact O-CB 3.46Å; Y662-K666 PolarHBondContact O-N 3.35Å; Y662-D703 HydrophobicContact CE2-CB 4.26Å; Y662-D703 VanDerWaalsContact CE2-OD2 3.27Å; Y662-D703 WeakPolarHBondContact CE2-OD2 3.45Å; Y662-D703 VanDerWaalsContact CZ-OD2 3.25Å; Y662-D703 PolarHBondContact OH-OD2 3.31Å; Y662-W706 HydrophobicContact CD2-CB 4.22Å; Y662-W706 AromaticContact CD2-CD1 3.71Å; Y662-W706 HydrophobicContact CD2-CD2 4.26Å; Y662-W706 AromaticContact CD2-CG 3.81Å; Y662-W706 HydrophobicContact CD2-CG 3.81Å; Y662-W706 HydrophobicContact CG-CG 4.46Å; Y662-L708 HydrophobicContact CD1-CD2 3.95Å; Y662-L708 HydrophobicContact CD2-CD2 4.15Å; Y662-L708 HydrophobicContact CE1-CD1 4.27Å; Y662-L708 HydrophobicContact CE1-CD2 4.12Å; Y662-L708 HydrophobicContact CE2-CD2 4.29Å; Y662-L708 HydrophobicContact CG-CD2 3.98Å; Y662-I715 HydrophobicContact CE1-CD1 4.13Å; Y662-A718 HydrophobicContact CG-CB 4.39Å
663	K	97.8	Very high	96	Very high	124 Å²	124	42 Å²	42	54%	0.539	22%	0.218	S	C	.	.	H	α-helix	trans	-66.9	-38.9	177	-60.9	-172.9	178.5	-174.5	0	111.8	N661 K666 S667	N661-K663 VanDerWaalsContact C-N 3.25Å; N661-K663 PolarHBondContact O-N 3.41Å; N661-K663 WeakPolarHBondContact OD1-CB 3.31Å; N661-K663 PolarHBondContact OD1-N 3Å; K663-K666 PolarHBondContact O-N 3.34Å; K663-S667 PolarHBondContact O-N 3.31Å; K663-S667 VanDerWaalsContact O-N 3.09Å; K663-S667 PolarHBondContact O-OG 3.49Å; K663-S667 VanDerWaalsContact O-OG 3.07Å
664	K	97	Very high	96.5	Very high	90 Å²	90	38 Å²	38	39%	0.391	19%	0.189	S	C	.	.	H	α-helix	trans	-68.1	-42.3	174.2	-167.3	170.1	178.7	-163.4	0	110.9	E660 N661 K666 S667 R668	E660-K664 HydrophobicContact CB-CB 4.32Å; E660-K664 HydrophobicContact CB-CD 4.27Å; E660-K664 HydrophobicContact CG-CD 3.98Å; E660-K664 WeakPolarHBondContact OE1-CD 3.35Å; E660-K664 WeakPolarHBondContact OE1-CE 3.33Å; E660-K664 IonicContact OE1-NZ 3.35Å; E660-K664 PolarHBondContact OE1-NZ 3.16Å; E660-K664 WeakPolarHBondContact OE2-CD 3.23Å; E660-K664 WeakPolarHBondContact OE2-CG 3.42Å; N661-K664 PolarHBondContact O-N 3.43Å; N661-K664 VanDerWaalsContact O-N 3.15Å; N661-K664 PolarHBondContact OD1-N 3.38Å; K664-K666 PolarHBondContact O-N 2.71Å; K664-S667 WeakPolarHBondContact O-CB 3.44Å; K664-S667 PolarHBondContact O-N 3.41Å; K664-R668 WeakPolarHBondContact O-CG 3.17Å; K664-R668 PolarHBondContact O-N 3.34Å
665	W	97.7	Very high	96.7	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-62.1	-39.5	173	-82.6	111.4	0	0	0	113.2	M560 R574 L578 H591 I593 N661 Y662 S667 R668 N669 W706	M560-W665 HydrophobicContact CB-CH2 3.46Å; M560-W665 VanDerWaalsContact CB-CH2 3.46Å; M560-W665 HydrophobicContact CB-CZ2 3.62Å; M560-W665 HydrophobicContact CB-CZ3 4.3Å; M560-W665 HydrophobicContact CG-CH2 4.24Å; M560-W665 HydrophobicContact SD-CH2 3.78Å; M560-W665 HydrophobicContact SD-CZ3 3.69Å; R574-W665 HydrophobicContact CB-CH2 4.21Å; R574-W665 HydrophobicContact CB-CZ3 4.45Å; R574-W665 HydrophobicContact CG-CH2 3.83Å; L578-W665 HydrophobicContact CD1-CZ3 4.21Å; H591-W665 AromaticContact CE1-CD2 3.92Å; H591-W665 AromaticContact CE1-CE3 3.48Å; H591-W665 VanDerWaalsContact CE1-CE3 3.48Å; H591-W665 AromaticContact CE1-CZ3 3.91Å; I593-W665 HydrophobicContact CD1-CB 4.4Å; I593-W665 HydrophobicContact CD1-CG 4.14Å; I593-W665 HydrophobicContact CG2-CD2 4.33Å; I593-W665 HydrophobicContact CG2-CG 4.02Å; N661-W665 PolarHBondContact O-N 3.44Å; N661-W665 VanDerWaalsContact O-N 3.13Å; Y662-W665 PolarHBondContact O-N 3.13Å; W665-S667 VanDerWaalsContact C-N 3.34Å; W665-S667 PolarHBondContact O-N 3.47Å; W665-R668 HydrophobicContact CE3-CB 4.28Å; W665-R668 PolarHBondContact O-N 2.91Å; W665-N669 PolarHBondContact O-N 2.88Å; W665-N669 PolarHBondContact O-ND2 3.1Å; W665-W706 HydrophobicContact CB-CH2 4.29Å; W665-W706 HydrophobicContact CB-CZ2 4.23Å
666	K	98.1	Very high	96.9	Very high	41 Å²	41	37.9 Å²	37.9	18%	0.178	19%	0.189	C	C	.	.	H	α-helix	trans	-55.6	-50.4	171.4	171.7	164.3	-167.6	-172.1	0	111.2	Y662 K663 K664 R668 N669 L670 D704 W722	Y662-K666 WeakPolarHBondContact O-CB 3.46Å; Y662-K666 PolarHBondContact O-N 3.35Å; K663-K666 PolarHBondContact O-N 3.34Å; K664-K666 PolarHBondContact O-N 2.71Å; K666-R668 VanDerWaalsContact C-N 3.3Å; K666-R668 PolarHBondContact O-N 3.04Å; K666-N669 PolarHBondContact O-N 3.15Å; K666-L670 HydrophobicContact CG-CD1 3.97Å; K666-L670 HydrophobicContact CG-CG 4.41Å; K666-L670 WeakPolarHBondContact O-CG 3.45Å; K666-L670 PolarHBondContact O-N 2.95Å; K666-D704 WeakPolarHBondContact CD-OD2 3.3Å; K666-D704 VanDerWaalsContact CE-OD2 3.32Å; K666-D704 WeakPolarHBondContact CE-OD2 3.44Å; K666-D704 IonicContact NZ-OD1 2.74Å; K666-D704 PolarHBondContact NZ-OD1 3.39Å; K666-D704 IonicContact NZ-OD2 3.98Å; K666-D704 PolarHBondContact NZ-OD2 3.32Å; K666-W722 HydrophobicContact CB-CH2 4.21Å; K666-W722 HydrophobicContact CG-CH2 4.03Å
667	S	97.6	Very high	97.2	Very high	62 Å²	62	37.5 Å²	37.5	43%	0.434	19%	0.187	S	C	.	.	H	α-helix	trans	-59.1	-41.5	178.1	-55.4	0	0	0	0	111.6	K663 K664 W665 N671	K663-S667 PolarHBondContact O-N 3.31Å; K663-S667 VanDerWaalsContact O-N 3.09Å; K663-S667 PolarHBondContact O-OG 3.49Å; K663-S667 VanDerWaalsContact O-OG 3.07Å; K664-S667 WeakPolarHBondContact O-CB 3.44Å; K664-S667 PolarHBondContact O-N 3.41Å; W665-S667 VanDerWaalsContact C-N 3.34Å; W665-S667 PolarHBondContact O-N 3.47Å; S667-N671 VanDerWaalsContact O-CB 3.32Å; S667-N671 WeakPolarHBondContact O-CB 3.48Å; S667-N671 PolarHBondContact O-N 3.41Å; S667-N671 PolarHBondContact O-ND2 3.49Å; S667-N671 PolarHBondContact O-OD1 2.83Å
668	R	97.1	Very high	97.3	Very high	16 Å²	16	44.4 Å²	44.4	6%	0.06	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-47.3	175.7	-71.3	-175.6	-179.4	-76.4	-1.4	113	E566 S572 N575 L578 E660 K664 W665 K666 N671 A672	E566-R668 VanDerWaalsContact CD-NH2 3.3Å; E566-R668 IonicContact OE1-CZ 3.65Å; E566-R668 IonicContact OE1-NH1 3.87Å; E566-R668 PolarHBondContact OE1-NH1 3.19Å; E566-R668 IonicContact OE1-NH2 2.78Å; E566-R668 PolarHBondContact OE1-NH2 3.11Å; E566-R668 IonicContact OE2-CZ 2.69Å; E566-R668 IonicContact OE2-NH1 3.44Å; E566-R668 IonicContact OE2-NH2 3.7Å; E566-R668 PolarHBondContact OE2-NH2 3.46Å; S572-R668 PolarHBondContact OG-NH1 2.85Å; N575-R668 PolarHBondContact OD1-NH1 3.01Å; L578-R668 HydrophobicContact CD1-CB 3.7Å; E660-R668 IonicContact OE1-CZ 2.65Å; E660-R668 IonicContact OE1-NE 2.94Å; E660-R668 IonicContact OE1-NH2 2.63Å; E660-R668 PolarHBondContact OE1-NH2 2.89Å; E660-R668 IonicContact OE2-CZ 3.9Å; E660-R668 IonicContact OE2-NE 3.68Å; E660-R668 PolarHBondContact OE2-NE 3.11Å; E660-R668 IonicContact OE2-NH2 2.58Å; E660-R668 PolarHBondContact OE2-NH2 2.91Å; K664-R668 WeakPolarHBondContact O-CG 3.17Å; K664-R668 PolarHBondContact O-N 3.34Å; W665-R668 HydrophobicContact CE3-CB 4.28Å; W665-R668 PolarHBondContact O-N 2.91Å; K666-R668 VanDerWaalsContact C-N 3.3Å; K666-R668 PolarHBondContact O-N 3.04Å; R668-N671 PolarHBondContact O-N 3.41Å; R668-A672 VanDerWaalsContact O-CB 3.31Å; R668-A672 WeakPolarHBondContact O-CB 3.48Å; R668-A672 PolarHBondContact O-N 3.36Å
669	N	98	Very high	97.4	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-45.4	179.6	-69.7	-49.9	0	0	0	111	L578 H591 W665 K666 A672 G673 L674 W722	L578-N669 VanDerWaalsContact CD2-OD1 3.25Å; L578-N669 WeakPolarHBondContact CD2-OD1 3.25Å; H591-N669 PolarHBondContact ND1-ND2 3.3Å; W665-N669 PolarHBondContact O-N 2.88Å; W665-N669 PolarHBondContact O-ND2 3.1Å; K666-N669 PolarHBondContact O-N 3.15Å; N669-A672 PolarHBondContact O-N 3.29Å; N669-G673 PolarHBondContact O-N 3.47Å; N669-L674 HydrophobicContact CB-CB 4.25Å; N669-L674 HydrophobicContact CB-CD1 4.17Å; N669-L674 WeakPolarHBondContact O-CB 3.45Å; N669-L674 PolarHBondContact O-N 2.94Å; N669-W722 HydrophobicContact CB-CD2 3.78Å; N669-W722 HydrophobicContact CB-CE3 3.44Å; N669-W722 VanDerWaalsContact CB-CE3 3.44Å; N669-W722 HydrophobicContact CB-CH2 3.7Å; N669-W722 HydrophobicContact CB-CZ2 4Å; N669-W722 HydrophobicContact CB-CZ3 3.38Å; N669-W722 VanDerWaalsContact ND2-CZ2 3.25Å; N669-W722 WeakPolarHBondContact ND2-CZ2 3.26Å
670	L	97.3	Very high	97.4	Very high	82 Å²	82	47.2 Å²	47.2	43%	0.429	23%	0.234	S	C	.	.	H	α-helix	trans	-59.8	-48.3	176.4	-69.9	174.4	0	0	0	111.9	K666 A672 G673 W722	K666-L670 HydrophobicContact CG-CD1 3.97Å; K666-L670 HydrophobicContact CG-CG 4.41Å; K666-L670 WeakPolarHBondContact O-CG 3.45Å; K666-L670 PolarHBondContact O-N 2.95Å; L670-A672 PolarHBondContact O-N 3.5Å; L670-G673 PolarHBondContact O-N 3.45Å; L670-W722 HydrophobicContact CD2-CZ3 4.41Å; L670-W722 HydrophobicContact CG-CZ3 4.44Å
671	N	95.5	Very high	97.5	Very high	125 Å²	125	51.4 Å²	51.4	67%	0.668	26%	0.263	S	S	*	.	H	α-helix	trans	-64	-30.5	179.1	-69.1	-9.7	0	0	0	112.5	S667 R668 G673 Y728	S667-N671 VanDerWaalsContact O-CB 3.32Å; S667-N671 WeakPolarHBondContact O-CB 3.48Å; S667-N671 PolarHBondContact O-N 3.41Å; S667-N671 PolarHBondContact O-ND2 3.49Å; S667-N671 PolarHBondContact O-OD1 2.83Å; R668-N671 PolarHBondContact O-N 3.41Å; N671-G673 PolarHBondContact O-N 3Å; N671-Y728 PolarHBondContact O-OH 3.45Å
672	A	96.1	Very high	97.5	Very high	5 Å²	5	54.5 Å²	54.5	4%	0.041	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-1	174	0	0	0	0	0	113.4	L578 R582 R668 N669 L670	L578-A672 HydrophobicContact CB-CB 3.68Å; L578-A672 HydrophobicContact CD1-CB 4.36Å; R582-A672 WeakPolarHBondContact CD-O 3.36Å; R582-A672 PolarHBondContact NH1-O 3.08Å; R668-A672 VanDerWaalsContact O-CB 3.31Å; R668-A672 WeakPolarHBondContact O-CB 3.48Å; R668-A672 PolarHBondContact O-N 3.36Å; N669-A672 PolarHBondContact O-N 3.29Å; L670-A672 PolarHBondContact O-N 3.5Å
673	G	97.3	Very high	97.5	Very high	2 Å²	2	54 Å²	54	2%	0.021	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	24.7	-179.8	0	0	0	0	0	114.3	N669 L670 N671 S725 Y728	N669-G673 PolarHBondContact O-N 3.47Å; L670-G673 PolarHBondContact O-N 3.45Å; N671-G673 PolarHBondContact O-N 3Å; G673-S725 WeakPolarHBondContact O-CB 3.5Å; G673-S725 PolarHBondContact O-N 3.16Å; G673-Y728 VanDerWaalsContact CA-CE2 3.44Å
674	L	98.3	Very high	97.4	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141.7	170.6	-60	164.6	0	0	0	109.7	L578 R582 F589 N669 W722 K723	L578-L674 HydrophobicContact CD2-CD1 4.21Å; R582-L674 HydrophobicContact CB-CD2 4.27Å; F589-L674 HydrophobicContact CD1-CD1 4.01Å; F589-L674 HydrophobicContact CE1-CD1 4.23Å; N669-L674 HydrophobicContact CB-CB 4.25Å; N669-L674 HydrophobicContact CB-CD1 4.17Å; N669-L674 WeakPolarHBondContact O-CB 3.45Å; N669-L674 PolarHBondContact O-N 2.94Å; L674-W722 HydrophobicContact CB-CB 4.35Å; L674-W722 HydrophobicContact CB-CE3 4.11Å; L674-K723 CarbonylContact C-O 3.59Å; L674-K723 VanDerWaalsContact CA-O 3.31Å; L674-K723 WeakPolarHBondContact CA-O 3.46Å
675	E	97.6	Very high	97.4	Very high	62 Å²	62	50.5 Å²	50.5	29%	0.29	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	142.2	171.1	63.8	179.5	164.9	0	0	110.9	W722 K723	E675-W722 CarbonylContact O-C 3.52Å; E675-W722 VanDerWaalsContact O-CA 3.26Å; E675-W722 WeakPolarHBondContact O-CA 3.45Å; E675-K723 HydrophobicContact CG-CD 4.44Å; E675-K723 HydrophobicContact CG-CG 3.55Å; E675-K723 PolarHBondContact N-O 3.3Å; E675-K723 PolarHBondContact O-N 3.22Å; E675-K723 WeakPolarHBondContact OE1-CD 3.38Å; E675-K723 WeakPolarHBondContact OE1-CE 3.5Å; E675-K723 WeakPolarHBondContact OE1-CG 3.35Å; E675-K723 IonicContact OE1-NZ 2.92Å; E675-K723 PolarHBondContact OE1-NZ 3.2Å
676	Q	98.4	Very high	97.3	Very high	31 Å²	31	52.2 Å²	52.2	15%	0.145	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	134.9	-178.5	-161.8	173.3	3.3	0	0	110.4	D704 H705 W722	Q676-D704 VanDerWaalsContact CD-O 3.29Å; Q676-D704 PolarHBondContact NE2-O 3.26Å; Q676-D704 PolarHBondContact OE1-O 3.23Å; Q676-H705 HydrophobicContact CG-CB 4.19Å; Q676-H705 VanDerWaalsContact NE2-C 3.26Å; Q676-H705 PolarHBondContact NE2-O 2.9Å; Q676-W722 HydrophobicContact CB-CD2 4.36Å; Q676-W722 HydrophobicContact CB-CE3 3.82Å; Q676-W722 HydrophobicContact CB-CH2 3.74Å; Q676-W722 HydrophobicContact CB-CZ2 4.3Å; Q676-W722 HydrophobicContact CB-CZ3 3.51Å; Q676-W722 HydrophobicContact CG-CD2 4.34Å; Q676-W722 HydrophobicContact CG-CE3 4.26Å; Q676-W722 HydrophobicContact CG-CH2 3.76Å; Q676-W722 HydrophobicContact CG-CZ2 3.85Å; Q676-W722 HydrophobicContact CG-CZ3 4.01Å
677	L	98.2	Very high	97.1	Very high	46 Å²	46	50.3 Å²	50.3	24%	0.241	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-89.5	152.4	175	-63.2	176.5	0	0	0	111	V588 T721 K723	V588-L677 HydrophobicContact CG2-CD1 3.78Å; L677-T721 WeakPolarHBondContact CB-OG1 3.29Å; L677-T721 PolarHBondContact N-O 3.31Å; L677-K723 HydrophobicContact CD2-CD 3.79Å; L677-K723 HydrophobicContact CD2-CG 3.84Å; L677-K723 HydrophobicContact CG-CG 4.35Å
678	Q	98.1	Very high	97	Very high	156 Å²	156	52.1 Å²	52.1	73%	0.729	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-67.7	144.4	173.7	-63.2	-175.1	34.5	0	0	110.8
679	L	97.9	Very high	96.8	Very high	16 Å²	16	55.5 Å²	55.5	8%	0.084	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-65.4	135.2	173.5	-63.9	175.2	0	0	0	110.1	F445 P681 V684 E702 H705 L707	F445-L679 HydrophobicContact CE2-CD2 3.78Å; F445-L679 HydrophobicContact CZ-CD2 3.79Å; L679-P681 VanDerWaalsContact O-CD 3.3Å; L679-P681 WeakPolarHBondContact O-CD 3.28Å; L679-V684 HydrophobicContact CB-CG2 3.77Å; L679-V684 HydrophobicContact CD1-CG2 4.11Å; L679-V684 HydrophobicContact CG-CG2 4.45Å; L679-E702 HydrophobicContact CD1-CB 4.29Å; L679-E702 HydrophobicContact CD1-CG 3.81Å; L679-H705 WeakPolarHBondContact CD2-O 3.28Å; L679-H705 HydrophobicContact CG-CB 4.47Å; L679-L707 HydrophobicContact CD1-CB 4.4Å; L679-L707 HydrophobicContact CD2-CB 4.38Å
680	N	97.6	Very high	96.6	Very high	47 Å²	47	55.7 Å²	55.7	25%	0.251	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-72	118.6	172.5	-178.2	-49.7	0	0	0	109.4	D682 I683 V684	N680-D682 VanDerWaalsContact C-N 3.27Å; N680-D682 PolarHBondContact O-N 2.93Å; N680-D682 WeakPolarHBondContact OD1-CB 3.44Å; N680-D682 PolarHBondContact OD1-N 3.49Å; N680-I683 HydrophobicContact CB-CB 4.17Å; N680-I683 HydrophobicContact CB-CD1 3.82Å; N680-I683 HydrophobicContact CB-CG1 3.87Å; N680-I683 PolarHBondContact O-N 2.82Å; N680-I683 PolarHBondContact OD1-N 3.1Å; N680-V684 WeakPolarHBondContact O-CG2 3.43Å; N680-V684 PolarHBondContact O-N 3.42Å
681	P	97.6	Very high	96.3	Very high	98 Å²	98	52.1 Å²	52.1	64%	0.636	26%	0.264	S	S	*	.	H	α-helix	trans	-59.5	-33.3	-175.6	-24.8	33.9	0	0	0	114.3	L679 K685	L679-P681 VanDerWaalsContact O-CD 3.3Å; L679-P681 WeakPolarHBondContact O-CD 3.28Å; P681-K685 VanDerWaalsContact O-CB 3.32Å; P681-K685 WeakPolarHBondContact O-CB 3.39Å; P681-K685 PolarHBondContact O-N 3.23Å
682	D	96.9	Very high	96.1	Very high	117 Å²	117	49.3 Å²	49.3	63%	0.626	27%	0.265	S	S	*	.	H	α-helix	trans	-71	-41.9	179.5	-66.2	-37.3	0	0	0	110.9	N680 K685 V686	N680-D682 VanDerWaalsContact C-N 3.27Å; N680-D682 PolarHBondContact O-N 2.93Å; N680-D682 WeakPolarHBondContact OD1-CB 3.44Å; N680-D682 PolarHBondContact OD1-N 3.49Å; D682-K685 PolarHBondContact O-N 2.95Å; D682-V686 VanDerWaalsContact O-CG2 3.32Å; D682-V686 WeakPolarHBondContact O-CG2 3.36Å; D682-V686 PolarHBondContact O-N 2.92Å
683	I	96.5	Very high	95.9	Very high	9 Å²	9	53.7 Å²	53.7	5%	0.046	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-47.9	174.9	-59.4	-178	0	0	0	109.3	Y444 F445 K448 N680 K685 V686 T687	Y444-I683 HydrophobicContact CD1-CG2 4.39Å; Y444-I683 HydrophobicContact CE1-CG2 4Å; F445-I683 HydrophobicContact CB-CG2 4.32Å; F445-I683 HydrophobicContact CD2-CG2 3.56Å; F445-I683 HydrophobicContact CE2-CG2 4.18Å; F445-I683 HydrophobicContact CG-CG2 4.2Å; K448-I683 HydrophobicContact CB-CD1 3.62Å; K448-I683 HydrophobicContact CB-CG1 3.85Å; K448-I683 HydrophobicContact CB-CG2 4.5Å; N680-I683 HydrophobicContact CB-CB 4.17Å; N680-I683 HydrophobicContact CB-CD1 3.82Å; N680-I683 HydrophobicContact CB-CG1 3.87Å; N680-I683 PolarHBondContact O-N 2.82Å; N680-I683 PolarHBondContact OD1-N 3.1Å; I683-K685 PolarHBondContact O-N 2.97Å; I683-V686 PolarHBondContact O-N 3.05Å; I683-T687 HydrophobicContact CG2-CG2 4.31Å; I683-T687 WeakPolarHBondContact O-CG2 3.45Å; I683-T687 PolarHBondContact O-N 3.48Å; I683-T687 PolarHBondContact O-OG1 2.85Å
684	V	97.5	Very high	95.7	Very high	7 Å²	7	55 Å²	55	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-57.4	-49.4	177.8	170.5	0	0	0	0	111.1	L679 N680 V686 T687 R688 E702 L707	L679-V684 HydrophobicContact CB-CG2 3.77Å; L679-V684 HydrophobicContact CD1-CG2 4.11Å; L679-V684 HydrophobicContact CG-CG2 4.45Å; N680-V684 WeakPolarHBondContact O-CG2 3.43Å; N680-V684 PolarHBondContact O-N 3.42Å; V684-V686 VanDerWaalsContact C-N 3.32Å; V684-V686 PolarHBondContact O-N 3.3Å; V684-T687 WeakPolarHBondContact CA-OG1 3.24Å; V684-T687 PolarHBondContact O-N 3.08Å; V684-T687 PolarHBondContact O-OG1 3.12Å; V684-R688 WeakPolarHBondContact O-CB 3.29Å; V684-R688 PolarHBondContact O-N 3.05Å; V684-E702 HydrophobicContact CG1-CG 4.31Å; V684-E702 WeakPolarHBondContact CG1-OE1 3.45Å; V684-L707 HydrophobicContact CG1-CD1 4.46Å; V684-L707 HydrophobicContact CG2-CD1 4.43Å
685	K	96.7	Very high	95.5	Very high	133 Å²	133	57.6 Å²	57.6	58%	0.578	30%	0.3	S	S	*	.	H	α-helix	trans	-55.1	-48.2	178.5	-179.4	-178.5	177	-176.6	0	111.5	P681 D682 I683 R688 D689	P681-K685 VanDerWaalsContact O-CB 3.32Å; P681-K685 WeakPolarHBondContact O-CB 3.39Å; P681-K685 PolarHBondContact O-N 3.23Å; D682-K685 PolarHBondContact O-N 2.95Å; I683-K685 PolarHBondContact O-N 2.97Å; K685-R688 WeakPolarHBondContact O-CB 3.42Å; K685-R688 PolarHBondContact O-N 2.86Å; K685-D689 PolarHBondContact O-N 2.87Å
686	V	94.5	Very high	95.4	Very high	39 Å²	39	63.3 Å²	63.3	24%	0.236	32%	0.324	C	S	.	.	H	α-helix	trans	-70.7	-36.4	-177.9	179.9	0	0	0	0	112.2	H305 Y444 D682 I683 V684 R688 D689 M690	H305-V686 WeakPolarHBondContact CE1-CG1 3.13Å; H305-V686 WeakPolarHBondContact ND1-CG1 3.22Å; Y444-V686 HydrophobicContact CE1-CB 4.09Å; Y444-V686 HydrophobicContact CE1-CG1 4Å; Y444-V686 HydrophobicContact CE2-CG1 4.31Å; Y444-V686 WeakPolarHBondContact OH-CB 3.23Å; Y444-V686 WeakPolarHBondContact OH-CG1 3.27Å; D682-V686 VanDerWaalsContact O-CG2 3.32Å; D682-V686 WeakPolarHBondContact O-CG2 3.36Å; D682-V686 PolarHBondContact O-N 2.92Å; I683-V686 PolarHBondContact O-N 3.05Å; V684-V686 VanDerWaalsContact C-N 3.32Å; V684-V686 PolarHBondContact O-N 3.3Å; V686-R688 VanDerWaalsContact C-N 3.26Å; V686-R688 PolarHBondContact O-N 3.46Å; V686-D689 PolarHBondContact O-N 3.42Å; V686-M690 HydrophobicContact CG1-CG 4.4Å; V686-M690 HydrophobicContact CG1-SD 4.25Å; V686-M690 WeakPolarHBondContact O-CB 3.41Å; V686-M690 VanDerWaalsContact O-CG 3.28Å; V686-M690 WeakPolarHBondContact O-CG 3.46Å; V686-M690 PolarHBondContact O-N 3.05Å
687	T	94.4	Very high	95.4	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.6	-35.1	172.5	57.9	0	0	0	0	112.1	V441 Y444 I683 V684 M690 M691 I700 L707	V441-T687 HydrophobicContact CG1-CG2 3.77Å; Y444-T687 HydrophobicContact CD1-CG2 3.46Å; Y444-T687 VanDerWaalsContact CD1-CG2 3.46Å; Y444-T687 HydrophobicContact CE1-CG2 3.81Å; I683-T687 HydrophobicContact CG2-CG2 4.31Å; I683-T687 WeakPolarHBondContact O-CG2 3.45Å; I683-T687 PolarHBondContact O-N 3.48Å; I683-T687 PolarHBondContact O-OG1 2.85Å; V684-T687 WeakPolarHBondContact CA-OG1 3.24Å; V684-T687 PolarHBondContact O-N 3.08Å; V684-T687 PolarHBondContact O-OG1 3.12Å; T687-M690 PolarHBondContact O-N 3.4Å; T687-M691 WeakPolarHBondContact O-CB 3.49Å; T687-M691 PolarHBondContact O-N 2.68Å; T687-I700 WeakPolarHBondContact OG1-CD1 3.27Å; T687-L707 HydrophobicContact CG2-CD2 4.16Å
688	R	95.4	Very high	95.3	Very high	101 Å²	101	61.9 Å²	61.9	38%	0.381	32%	0.316	S	S	.	.	H	α-helix	trans	-65.8	-45.7	174.4	-167.2	178.5	-60.8	-78.6	0.9	111.6	V684 K685 V686 M690 M691 G692 I700 E702	V684-R688 WeakPolarHBondContact O-CB 3.29Å; V684-R688 PolarHBondContact O-N 3.05Å; K685-R688 WeakPolarHBondContact O-CB 3.42Å; K685-R688 PolarHBondContact O-N 2.86Å; V686-R688 VanDerWaalsContact C-N 3.26Å; V686-R688 PolarHBondContact O-N 3.46Å; R688-M690 VanDerWaalsContact C-N 3.31Å; R688-M690 PolarHBondContact O-N 3.05Å; R688-M691 PolarHBondContact O-N 3Å; R688-G692 PolarHBondContact O-N 3.12Å; R688-I700 HydrophobicContact CB-CG2 4.12Å; R688-I700 HydrophobicContact CG-CG2 3.81Å; R688-I700 PolarHBondContact NH1-O 3.32Å; R688-E702 IonicContact NH2-OE1 3.64Å; R688-E702 PolarHBondContact NH2-OE1 3.19Å
689	D	93.8	Very high	95.2	Very high	86 Å²	86	56.5 Å²	56.5	46%	0.46	29%	0.294	S	S	.	.	H	α-helix	trans	-64.5	-34.7	175.1	-67.8	-16.2	0	0	0	112.4	K685 V686 K693	K685-D689 PolarHBondContact O-N 2.87Å; V686-D689 PolarHBondContact O-N 3.42Å; D689-K693 WeakPolarHBondContact O-CG 3.38Å
690	M	92.2	Very high	95.2	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.02	29%	0.293	C	S	.	.	H	α-helix	trans	-65.6	-48.5	173.1	-76.6	174.6	56.4	0	0	110.9	E304 R440 V441 Y444 V686 T687 R688 G692 K693 Y694	E304-M690 WeakPolarHBondContact O-CE 3.29Å; R440-M690 HydrophobicContact CG-CE 4.1Å; V441-M690 HydrophobicContact CG2-CE 4.45Å; Y444-M690 HydrophobicContact CD1-SD 4.09Å; Y444-M690 HydrophobicContact CD2-SD 3.96Å; Y444-M690 HydrophobicContact CE1-SD 4.41Å; Y444-M690 HydrophobicContact CE2-SD 4.32Å; Y444-M690 HydrophobicContact CG-CE 4.25Å; Y444-M690 HydrophobicContact CG-SD 3.83Å; V686-M690 HydrophobicContact CG1-CG 4.4Å; V686-M690 HydrophobicContact CG1-SD 4.25Å; V686-M690 WeakPolarHBondContact O-CB 3.41Å; V686-M690 VanDerWaalsContact O-CG 3.28Å; V686-M690 WeakPolarHBondContact O-CG 3.46Å; V686-M690 PolarHBondContact O-N 3.05Å; T687-M690 PolarHBondContact O-N 3.4Å; R688-M690 VanDerWaalsContact C-N 3.31Å; R688-M690 PolarHBondContact O-N 3.05Å; M690-G692 VanDerWaalsContact C-N 3.3Å; M690-G692 PolarHBondContact O-N 2.89Å; M690-K693 WeakPolarHBondContact O-CB 3.32Å; M690-K693 PolarHBondContact O-N 3.5Å; M690-Y694 VanDerWaalsContact O-CD2 3.28Å; M690-Y694 WeakPolarHBondContact O-CD2 3.43Å
691	M	91.7	Very high	95.2	Very high	7 Å²	7	58.2 Å²	58.2	3%	0.034	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-38.8	178.9	-166.3	65.9	79.6	0	0	111.9	P437 V441 T687 R688 K693 Y694 Y698 I700 M709	P437-M691 HydrophobicContact CB-CE 4.3Å; P437-M691 HydrophobicContact CB-SD 3.84Å; P437-M691 HydrophobicContact CG-CE 4.02Å; P437-M691 HydrophobicContact CG-SD 3.27Å; P437-M691 WeakPolarHBondContact CG-SD 3.33Å; V441-M691 HydrophobicContact CG2-CE 4.11Å; T687-M691 WeakPolarHBondContact O-CB 3.49Å; T687-M691 PolarHBondContact O-N 2.68Å; R688-M691 PolarHBondContact O-N 3Å; M691-K693 PolarHBondContact O-N 2.8Å; M691-K693 VanDerWaalsContact O-N 3.11Å; M691-Y694 WeakPolarHBondContact O-CB 3.36Å; M691-Y694 PolarHBondContact O-N 2.97Å; M691-Y698 HydrophobicContact SD-CD1 4.15Å; M691-Y698 HydrophobicContact SD-CG 3.9Å; M691-I700 HydrophobicContact CB-CB 4.46Å; M691-I700 HydrophobicContact CB-CG2 4.21Å; M691-I700 HydrophobicContact CG-CB 4.29Å; M691-I700 HydrophobicContact CG-CG2 4.36Å; M691-M709 HydrophobicContact CE-CB 4.09Å; M691-M709 HydrophobicContact CE-CG 3.85Å; M691-M709 HydrophobicContact CE-SD 4.49Å
692	G	92.3	Very high	95.2	Very high	67 Å²	67	58.2 Å²	58.2	69%	0.691	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-12.6	178.3	0	0	0	0	0	115.3	R688 M690	R688-G692 PolarHBondContact O-N 3.12Å; M690-G692 VanDerWaalsContact C-N 3.3Å; M690-G692 PolarHBondContact O-N 2.89Å
693	K	90.9	Very high	95.2	Very high	96 Å²	96	55.5 Å²	55.5	42%	0.417	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-11.5	173.6	-66.3	161.7	-176.6	160	0	113.1	H305 P307 D689 M690 M691	H305-K693 PolarHBondContact O-NZ 3.04Å; P307-K693 HydrophobicContact CG-CD 4.49Å; D689-K693 WeakPolarHBondContact O-CG 3.38Å; M690-K693 WeakPolarHBondContact O-CB 3.32Å; M690-K693 PolarHBondContact O-N 3.5Å; M691-K693 PolarHBondContact O-N 2.8Å; M691-K693 VanDerWaalsContact O-N 3.11Å
694	Y	93.2	Very high	95.2	Very high	31 Å²	31	58.5 Å²	58.5	12%	0.122	30%	0.296	C	S	.	.	S	Bend	trans	-90.2	-176.7	175.1	-71.6	-102.5	0	0	0	110.5	L433 A434 P437 R440 M690 M691 K696 Y698	L433-Y694 PolarHBondContact O-OH 3.26Å; A434-Y694 VanDerWaalsContact O-CE1 3.24Å; A434-Y694 WeakPolarHBondContact O-CE1 3.49Å; P437-Y694 HydrophobicContact CB-CD1 3.93Å; P437-Y694 HydrophobicContact CB-CD2 3.78Å; P437-Y694 HydrophobicContact CB-CE1 3.82Å; P437-Y694 HydrophobicContact CB-CE2 3.7Å; P437-Y694 HydrophobicContact CB-CG 3.91Å; P437-Y694 HydrophobicContact CG-CD1 3.89Å; P437-Y694 HydrophobicContact CG-CD2 4.16Å; P437-Y694 HydrophobicContact CG-CE1 4.24Å; P437-Y694 HydrophobicContact CG-CG 3.85Å; R440-Y694 WeakPolarHBondContact CD-OH 3.36Å; R440-Y694 PolarHBondContact NH1-OH 2.98Å; M690-Y694 VanDerWaalsContact O-CD2 3.28Å; M690-Y694 WeakPolarHBondContact O-CD2 3.43Å; M691-Y694 WeakPolarHBondContact O-CB 3.36Å; M691-Y694 PolarHBondContact O-N 2.97Å; Y694-K696 PolarHBondContact O-N 3.36Å; Y694-Y698 HydrophobicContact CD1-CE2 4.48Å
695	H	94.9	Very high	95.2	Very high	57 Å²	57	62.1 Å²	62.1	26%	0.264	31%	0.312	S	S	.	.			trans	-55.4	136.4	177.5	-173.7	-85.8	0	0	0	111.7	T624 D697 Y698 W711	T624-H695 HydrophobicContact CG2-CB 4.03Å; H695-D697 IonicContact CE1-OD1 2.76Å; H695-D697 IonicContact CE1-OD2 2.66Å; H695-D697 PolarHBondContact CE1-OD2 3.37Å; H695-D697 WeakPolarHBondContact ND1-CB 3.26Å; H695-D697 PolarHBondContact ND1-N 3.48Å; H695-D697 IonicContact ND1-OD2 2.66Å; H695-D697 PolarHBondContact O-N 3.39Å; H695-Y698 HydrophobicContact CB-CD2 4.22Å; H695-Y698 HydrophobicContact CB-CE2 4.32Å; H695-Y698 WeakPolarHBondContact O-CB 3.34Å; H695-Y698 VanDerWaalsContact O-CD2 3.28Å; H695-Y698 WeakPolarHBondContact O-CD2 3.19Å; H695-Y698 PolarHBondContact O-N 2.88Å; H695-W711 HydrophobicContact CB-CH2 4.23Å; H695-W711 HydrophobicContact CB-CZ3 4.03Å; H695-W711 AromaticContact CE1-CH2 3.94Å; H695-W711 AromaticContact CG-CH2 3.85Å; H695-W711 AromaticContact ND1-CH2 3.28Å; H695-W711 VanDerWaalsContact ND1-CH2 3.28Å; H695-W711 WeakPolarHBondContact ND1-CH2 3.43Å; H695-W711 AromaticContact ND1-CZ3 3.57Å
696	K	95.3	Very high	95.3	Very high	182 Å²	182	55.8 Å²	55.8	79%	0.791	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-19.1	-173	66.3	178.9	-179.3	179.1	0	116.5	Y694 Y698	Y694-K696 PolarHBondContact O-N 3.36Å; K696-Y698 VanDerWaalsContact C-N 3.27Å
697	D	97.1	Very high	95.5	Very high	30 Å²	30	53.9 Å²	53.9	16%	0.16	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-10.8	-179.9	-70.3	-1.3	0	0	0	112.5	K623 H695 W711 K712	K623-D697 IonicContact NZ-OD2 3.19Å; K623-D697 PolarHBondContact NZ-OD2 3.1Å; H695-D697 IonicContact CE1-OD1 2.76Å; H695-D697 IonicContact CE1-OD2 2.66Å; H695-D697 PolarHBondContact CE1-OD2 3.37Å; H695-D697 WeakPolarHBondContact ND1-CB 3.26Å; H695-D697 PolarHBondContact ND1-N 3.48Å; H695-D697 IonicContact ND1-OD2 2.66Å; H695-D697 PolarHBondContact O-N 3.39Å; D697-W711 HydrophobicContact CB-CD2 3.97Å; D697-W711 HydrophobicContact CB-CE3 3.77Å; D697-W711 HydrophobicContact CB-CH2 3.74Å; D697-W711 HydrophobicContact CB-CZ2 3.89Å; D697-W711 HydrophobicContact CB-CZ3 3.66Å; D697-K712 HydrophobicContact CB-CG 3.87Å; D697-K712 PolarHBondContact O-N 3.36Å; D697-K712 WeakPolarHBondContact OD2-CE 3.36Å
698	Y	97.7	Very high	95.7	Very high	16 Å²	16	54.2 Å²	54.2	6%	0.063	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	140.4	169	-77.7	-66.4	0	0	0	111	V435 P437 I620 M691 Y694 H695 K696 G710 W711	V435-Y698 PolarHBondContact O-OH 3.29Å; P437-Y698 WeakPolarHBondContact CD-OH 3.39Å; P437-Y698 HydrophobicContact CG-CD1 3.96Å; P437-Y698 HydrophobicContact CG-CD2 4.1Å; P437-Y698 HydrophobicContact CG-CE1 3.89Å; P437-Y698 HydrophobicContact CG-CE2 4Å; P437-Y698 HydrophobicContact CG-CG 4.09Å; I620-Y698 HydrophobicContact CD1-CE1 3.83Å; I620-Y698 HydrophobicContact CG1-CE1 4.24Å; I620-Y698 WeakPolarHBondContact CG2-OH 3.48Å; M691-Y698 HydrophobicContact SD-CD1 4.15Å; M691-Y698 HydrophobicContact SD-CG 3.9Å; Y694-Y698 HydrophobicContact CD1-CE2 4.48Å; H695-Y698 HydrophobicContact CB-CD2 4.22Å; H695-Y698 HydrophobicContact CB-CE2 4.32Å; H695-Y698 WeakPolarHBondContact O-CB 3.34Å; H695-Y698 VanDerWaalsContact O-CD2 3.28Å; H695-Y698 WeakPolarHBondContact O-CD2 3.19Å; H695-Y698 PolarHBondContact O-N 2.88Å; K696-Y698 VanDerWaalsContact C-N 3.27Å; Y698-G710 WeakPolarHBondContact CA-O 3.23Å; Y698-G710 WeakPolarHBondContact CD1-O 3.47Å; Y698-W711 AromaticContact CD1-CE3 3.73Å; Y698-W711 HydrophobicContact CD1-CE3 3.73Å; Y698-W711 HydrophobicContact CD1-CZ3 4.35Å; Y698-W711 AromaticContact CD2-CE3 3.99Å; Y698-W711 HydrophobicContact CD2-CE3 3.99Å; Y698-W711 AromaticContact CD2-CZ3 3.77Å; Y698-W711 HydrophobicContact CD2-CZ3 3.77Å; Y698-W711 AromaticContact CE1-CE3 3.71Å; Y698-W711 HydrophobicContact CE1-CE3 3.71Å; Y698-W711 HydrophobicContact CE1-CZ3 4.23Å; Y698-W711 HydrophobicContact CE2-CE3 4.01Å; Y698-W711 AromaticContact CE2-CZ3 3.67Å; Y698-W711 HydrophobicContact CE2-CZ3 3.67Å; Y698-W711 AromaticContact CG-CE3 3.84Å; Y698-W711 HydrophobicContact CG-CE3 3.84Å; Y698-W711 HydrophobicContact CG-CZ3 4.11Å; Y698-W711 AromaticContact CZ-CE3 3.85Å; Y698-W711 AromaticContact CZ-CZ3 3.89Å
699	V	96	Very high	95.8	Very high	44 Å²	44	49.4 Å²	49.4	27%	0.267	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.1	177.9	-64.5	0	0	0	0	110.5	G710	V699-G710 PolarHBondContact N-O 3.36Å; V699-G710 PolarHBondContact O-N 3.06Å
700	I	97	Very high	96	Very high	11 Å²	11	45.4 Å²	45.4	6%	0.056	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	117.9	174.3	-168.2	171.7	0	0	0	109.4	T687 R688 M691 L707 L708 M709	T687-I700 WeakPolarHBondContact OG1-CD1 3.27Å; R688-I700 HydrophobicContact CB-CG2 4.12Å; R688-I700 HydrophobicContact CG-CG2 3.81Å; R688-I700 PolarHBondContact NH1-O 3.32Å; M691-I700 HydrophobicContact CB-CB 4.46Å; M691-I700 HydrophobicContact CB-CG2 4.21Å; M691-I700 HydrophobicContact CG-CB 4.29Å; M691-I700 HydrophobicContact CG-CG2 4.36Å; I700-L707 HydrophobicContact CD1-CD1 3.84Å; I700-L707 HydrophobicContact CD1-CD2 4.22Å; I700-L707 HydrophobicContact CD1-CG 4.18Å; I700-L707 HydrophobicContact CG1-CD1 3.71Å; I700-L707 HydrophobicContact CG1-CG 4.22Å; I700-L708 CarbonylContact C-O 3.57Å; I700-L708 VanDerWaalsContact CA-O 3.29Å; I700-L708 WeakPolarHBondContact CA-O 3.29Å; I700-M709 HydrophobicContact CG1-CG 4.46Å
701	N	96.9	Very high	96.2	Very high	87 Å²	87	45.3 Å²	45.3	47%	0.465	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	164.7	-174.4	-69.8	-24.9	0	0	0	110.2	L708	N701-L708 HydrophobicContact CB-CB 4.37Å; N701-L708 PolarHBondContact N-O 3.42Å; N701-L708 PolarHBondContact O-N 3.34Å
702	E	97.7	Very high	96.4	Very high	98 Å²	98	50.2 Å²	50.2	46%	0.458	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.6	174	-65.8	164.6	-108.4	0	0	107.6	L679 V684 R688 W706 L707	L679-E702 HydrophobicContact CD1-CB 4.29Å; L679-E702 HydrophobicContact CD1-CG 3.81Å; V684-E702 HydrophobicContact CG1-CG 4.31Å; V684-E702 WeakPolarHBondContact CG1-OE1 3.45Å; R688-E702 IonicContact NH2-OE1 3.64Å; R688-E702 PolarHBondContact NH2-OE1 3.19Å; E702-W706 VanDerWaalsContact CA-O 3.31Å; E702-W706 WeakPolarHBondContact CA-O 3.36Å; E702-L707 HydrophobicContact CG-CD1 4.15Å
703	D	97.9	Very high	96.5	Very high	60 Å²	60	50 Å²	50	32%	0.321	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	123.2	171	-177	34.4	0	0	0	108.2	Y662 H705 W706 L708	Y662-D703 HydrophobicContact CE2-CB 4.26Å; Y662-D703 VanDerWaalsContact CE2-OD2 3.27Å; Y662-D703 WeakPolarHBondContact CE2-OD2 3.45Å; Y662-D703 VanDerWaalsContact CZ-OD2 3.25Å; Y662-D703 PolarHBondContact OH-OD2 3.31Å; D703-H705 VanDerWaalsContact C-N 3.28Å; D703-H705 PolarHBondContact O-N 3.11Å; D703-W706 PolarHBondContact N-O 2.76Å; D703-W706 WeakPolarHBondContact O-CA 3.22Å; D703-W706 VanDerWaalsContact O-CB 3.28Å; D703-W706 WeakPolarHBondContact O-CB 3.23Å; D703-W706 PolarHBondContact O-N 3.34Å; D703-L708 HydrophobicContact CB-CD1 3.61Å; D703-L708 HydrophobicContact CB-CG 4.42Å
704	D	96	Very high	96.7	Very high	72 Å²	72	49.9 Å²	49.9	39%	0.385	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	46.9	171	-161.8	11.5	0	0	0	113.2	K666 Q676 W706	K666-D704 WeakPolarHBondContact CD-OD2 3.3Å; K666-D704 VanDerWaalsContact CE-OD2 3.32Å; K666-D704 WeakPolarHBondContact CE-OD2 3.44Å; K666-D704 IonicContact NZ-OD1 2.74Å; K666-D704 PolarHBondContact NZ-OD1 3.39Å; K666-D704 IonicContact NZ-OD2 3.98Å; K666-D704 PolarHBondContact NZ-OD2 3.32Å; Q676-D704 VanDerWaalsContact CD-O 3.29Å; Q676-D704 PolarHBondContact NE2-O 3.26Å; Q676-D704 PolarHBondContact OE1-O 3.23Å; D704-W706 PolarHBondContact O-N 3.13Å; D704-W706 VanDerWaalsContact O-N 3.11Å
705	H	98	Very high	96.9	Very high	83 Å²	83	50.6 Å²	50.6	38%	0.384	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	19.9	-174.5	-49	-58.1	0	0	0	115.7	Q676 L679 D703	Q676-H705 HydrophobicContact CG-CB 4.19Å; Q676-H705 VanDerWaalsContact NE2-C 3.26Å; Q676-H705 PolarHBondContact NE2-O 2.9Å; L679-H705 WeakPolarHBondContact CD2-O 3.28Å; L679-H705 HydrophobicContact CG-CB 4.47Å; D703-H705 VanDerWaalsContact C-N 3.28Å; D703-H705 PolarHBondContact O-N 3.11Å
706	W	98.5	Very high	97	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	137.1	162.5	-72.2	85.1	0	0	0	110.6	I593 Y662 W665 E702 D703 D704 L708 A718 I719 S720 W722	I593-W706 HydrophobicContact CD1-CH2 4.48Å; I593-W706 HydrophobicContact CD1-CZ3 4.47Å; I593-W706 HydrophobicContact CG1-CH2 4.39Å; I593-W706 HydrophobicContact CG1-CZ3 4.06Å; I593-W706 HydrophobicContact CG2-CH2 4.41Å; Y662-W706 HydrophobicContact CD2-CB 4.22Å; Y662-W706 AromaticContact CD2-CD1 3.71Å; Y662-W706 HydrophobicContact CD2-CD2 4.26Å; Y662-W706 AromaticContact CD2-CG 3.81Å; Y662-W706 HydrophobicContact CD2-CG 3.81Å; Y662-W706 HydrophobicContact CG-CG 4.46Å; W665-W706 HydrophobicContact CB-CH2 4.29Å; W665-W706 HydrophobicContact CB-CZ2 4.23Å; E702-W706 VanDerWaalsContact CA-O 3.31Å; E702-W706 WeakPolarHBondContact CA-O 3.36Å; D703-W706 PolarHBondContact N-O 2.76Å; D703-W706 WeakPolarHBondContact O-CA 3.22Å; D703-W706 VanDerWaalsContact O-CB 3.28Å; D703-W706 WeakPolarHBondContact O-CB 3.23Å; D703-W706 PolarHBondContact O-N 3.34Å; D704-W706 PolarHBondContact O-N 3.13Å; D704-W706 VanDerWaalsContact O-N 3.11Å; W706-L708 HydrophobicContact CB-CD2 3.74Å; W706-L708 HydrophobicContact CB-CG 4.4Å; W706-A718 HydrophobicContact CD2-CB 4.39Å; W706-A718 HydrophobicContact CE3-CB 3.57Å; W706-A718 HydrophobicContact CZ3-CB 3.98Å; W706-I719 VanDerWaalsContact CE3-C 3.45Å; W706-S720 VanDerWaalsContact CE3-OG 3.26Å; W706-S720 WeakPolarHBondContact CH2-OG 3.16Å; W706-S720 WeakPolarHBondContact CZ2-OG 3.37Å; W706-S720 WeakPolarHBondContact CZ3-OG 3.47Å; W706-W722 AromaticContact CZ2-CZ2 3.71Å; W706-W722 HydrophobicContact CZ2-CZ2 3.71Å
707	L	98.5	Very high	97.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	113.6	164.9	-173.8	67.8	0	0	0	108.4	V441 F445 L679 V684 T687 I700 E702 A718 I719	V441-L707 HydrophobicContact CG1-CD2 4.39Å; F445-L707 HydrophobicContact CD2-CD2 3.85Å; F445-L707 HydrophobicContact CE2-CD2 4.34Å; L679-L707 HydrophobicContact CD1-CB 4.4Å; L679-L707 HydrophobicContact CD2-CB 4.38Å; V684-L707 HydrophobicContact CG1-CD1 4.46Å; V684-L707 HydrophobicContact CG2-CD1 4.43Å; T687-L707 HydrophobicContact CG2-CD2 4.16Å; I700-L707 HydrophobicContact CD1-CD1 3.84Å; I700-L707 HydrophobicContact CD1-CD2 4.22Å; I700-L707 HydrophobicContact CD1-CG 4.18Å; I700-L707 HydrophobicContact CG1-CD1 3.71Å; I700-L707 HydrophobicContact CG1-CG 4.22Å; E702-L707 HydrophobicContact CG-CD1 4.15Å; L707-A718 WeakPolarHBondContact O-CA 3.49Å; L707-I719 HydrophobicContact CB-CG2 3.87Å; L707-I719 HydrophobicContact CD2-CG2 4.15Å; L707-I719 HydrophobicContact CG-CG2 4.44Å; L707-I719 PolarHBondContact N-O 3.08Å; L707-I719 PolarHBondContact O-N 3.01Å
708	L	98.5	Very high	97.2	Very high	7 Å²	7	38 Å²	38	4%	0.037	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.8	-174.2	-54.2	-178.9	0	0	0	110	Y662 I700 N701 D703 W706 I715 A718	Y662-L708 HydrophobicContact CD1-CD2 3.95Å; Y662-L708 HydrophobicContact CD2-CD2 4.15Å; Y662-L708 HydrophobicContact CE1-CD1 4.27Å; Y662-L708 HydrophobicContact CE1-CD2 4.12Å; Y662-L708 HydrophobicContact CE2-CD2 4.29Å; Y662-L708 HydrophobicContact CG-CD2 3.98Å; I700-L708 CarbonylContact C-O 3.57Å; I700-L708 VanDerWaalsContact CA-O 3.29Å; I700-L708 WeakPolarHBondContact CA-O 3.29Å; N701-L708 HydrophobicContact CB-CB 4.37Å; N701-L708 PolarHBondContact N-O 3.42Å; N701-L708 PolarHBondContact O-N 3.34Å; D703-L708 HydrophobicContact CB-CD1 3.61Å; D703-L708 HydrophobicContact CB-CG 4.42Å; W706-L708 HydrophobicContact CB-CD2 3.74Å; W706-L708 HydrophobicContact CB-CG 4.4Å; L708-I715 HydrophobicContact CB-CG1 4.47Å; L708-I715 HydrophobicContact CB-CG2 4.17Å; L708-I715 HydrophobicContact CD1-CD1 3.8Å; L708-I715 HydrophobicContact CD1-CG1 4.43Å; L708-I715 HydrophobicContact CD2-CG2 4.32Å; L708-A718 HydrophobicContact CD2-CB 3.57Å
709	M	98.1	Very high	97.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133.4	177.9	-61.1	159.6	-80	0	0	109.7	L438 V441 M691 I700 L716 N717 I719	L438-M709 HydrophobicContact CD2-CB 3.56Å; V441-M709 HydrophobicContact CB-SD 3.68Å; V441-M709 HydrophobicContact CG1-CG 4.29Å; V441-M709 HydrophobicContact CG1-SD 3.4Å; V441-M709 WeakPolarHBondContact CG1-SD 3.47Å; M691-M709 HydrophobicContact CE-CB 4.09Å; M691-M709 HydrophobicContact CE-CG 3.85Å; M691-M709 HydrophobicContact CE-SD 4.49Å; I700-M709 HydrophobicContact CG1-CG 4.46Å; M709-L716 PolarHBondContact O-N 2.94Å; M709-N717 HydrophobicContact CE-CB 3.85Å; M709-N717 PolarHBondContact N-O 3.03Å; M709-N717 PolarHBondContact O-N 2.86Å; M709-N717 VanDerWaalsContact O-N 3.1Å; M709-I719 HydrophobicContact CE-CG2 4.07Å
710	G	97.2	Very high	97.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	-179	-172.6	0	0	0	0	0	114.4	Y698 V699 R714	Y698-G710 WeakPolarHBondContact CA-O 3.23Å; Y698-G710 WeakPolarHBondContact CD1-O 3.47Å; V699-G710 PolarHBondContact N-O 3.36Å; V699-G710 PolarHBondContact O-N 3.06Å; G710-R714 CarbonylContact C-O 3.59Å; G710-R714 WeakPolarHBondContact CA-O 3.22Å
711	W	97.8	Very high	97.5	Very high	3 Å²	3	35 Å²	35	1%	0.011	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	127.3	-179.9	175.8	-97.9	0	0	0	110	D619 I620 K623 H695 D697 Y698 G713 R714 L716	D619-W711 PolarHBondContact OD2-NE1 3.4Å; I620-W711 HydrophobicContact CB-CZ2 4.5Å; I620-W711 HydrophobicContact CD1-CB 4.04Å; I620-W711 HydrophobicContact CD1-CD2 4.03Å; I620-W711 HydrophobicContact CD1-CE3 4.19Å; I620-W711 HydrophobicContact CD1-CG 3.99Å; I620-W711 HydrophobicContact CG1-CB 4.34Å; I620-W711 HydrophobicContact CG1-CD2 3.35Å; I620-W711 HydrophobicContact CG1-CE3 3.52Å; I620-W711 HydrophobicContact CG1-CG 3.75Å; I620-W711 HydrophobicContact CG1-CH2 4.03Å; I620-W711 HydrophobicContact CG1-CZ2 3.93Å; I620-W711 HydrophobicContact CG1-CZ3 3.85Å; K623-W711 HydrophobicContact CB-CH2 4.48Å; K623-W711 HydrophobicContact CD-CH2 4.16Å; K623-W711 HydrophobicContact CD-CZ2 3.86Å; H695-W711 HydrophobicContact CB-CH2 4.23Å; H695-W711 HydrophobicContact CB-CZ3 4.03Å; H695-W711 AromaticContact CE1-CH2 3.94Å; H695-W711 AromaticContact CG-CH2 3.85Å; H695-W711 AromaticContact ND1-CH2 3.28Å; H695-W711 VanDerWaalsContact ND1-CH2 3.28Å; H695-W711 WeakPolarHBondContact ND1-CH2 3.43Å; H695-W711 AromaticContact ND1-CZ3 3.57Å; D697-W711 HydrophobicContact CB-CD2 3.97Å; D697-W711 HydrophobicContact CB-CE3 3.77Å; D697-W711 HydrophobicContact CB-CH2 3.74Å; D697-W711 HydrophobicContact CB-CZ2 3.89Å; D697-W711 HydrophobicContact CB-CZ3 3.66Å; Y698-W711 AromaticContact CD1-CE3 3.73Å; Y698-W711 HydrophobicContact CD1-CE3 3.73Å; Y698-W711 HydrophobicContact CD1-CZ3 4.35Å; Y698-W711 AromaticContact CD2-CE3 3.99Å; Y698-W711 HydrophobicContact CD2-CE3 3.99Å; Y698-W711 AromaticContact CD2-CZ3 3.77Å; Y698-W711 HydrophobicContact CD2-CZ3 3.77Å; Y698-W711 AromaticContact CE1-CE3 3.71Å; Y698-W711 HydrophobicContact CE1-CE3 3.71Å; Y698-W711 HydrophobicContact CE1-CZ3 4.23Å; Y698-W711 HydrophobicContact CE2-CE3 4.01Å; Y698-W711 AromaticContact CE2-CZ3 3.67Å; Y698-W711 HydrophobicContact CE2-CZ3 3.67Å; Y698-W711 AromaticContact CG-CE3 3.84Å; Y698-W711 HydrophobicContact CG-CE3 3.84Å; Y698-W711 HydrophobicContact CG-CZ3 4.11Å; Y698-W711 AromaticContact CZ-CE3 3.85Å; Y698-W711 AromaticContact CZ-CZ3 3.89Å; W711-G713 PolarHBondContact O-N 3.28Å; W711-G713 VanDerWaalsContact O-N 3.16Å; W711-R714 PolarHBondContact O-N 3.4Å; W711-R714 PolarHBondContact N-O 2.8Å; W711-L716 HydrophobicContact CB-CD1 3.92Å
712	K	95.9	Very high	97.6	Very high	109 Å²	109	30.8 Å²	30.8	47%	0.474	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	43.7	-176.9	-65.4	-179	176.5	168.8	0	113	D619 D697 R714	D619-K712 VanDerWaalsContact CG-NZ 3.29Å; D619-K712 IonicContact OD1-NZ 3.48Å; D619-K712 PolarHBondContact OD1-NZ 3.2Å; D619-K712 WeakPolarHBondContact OD2-CD 3.4Å; D619-K712 WeakPolarHBondContact OD2-CE 3.46Å; D619-K712 IonicContact OD2-NZ 3.59Å; D619-K712 PolarHBondContact OD2-NZ 2.96Å; D697-K712 HydrophobicContact CB-CG 3.87Å; D697-K712 PolarHBondContact O-N 3.36Å; D697-K712 WeakPolarHBondContact OD2-CE 3.36Å; K712-R714 VanDerWaalsContact C-N 3.3Å; K712-R714 PolarHBondContact O-N 3.31Å
713	G	93	Very high	97.6	Very high	63 Å²	63	29 Å²	29	65%	0.649	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.6	-10.2	179.5	0	0	0	0	0	116.1	W711	W711-G713 PolarHBondContact O-N 3.28Å; W711-G713 VanDerWaalsContact O-N 3.16Å
714	R	95.5	Very high	97.6	Very high	94 Å²	94	27.3 Å²	27.3	36%	0.355	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.6	173.1	-179.2	171	-72.6	-90.8	-2.7	110.5	G710 W711 K712 L716	G710-R714 CarbonylContact C-O 3.59Å; G710-R714 WeakPolarHBondContact CA-O 3.22Å; W711-R714 PolarHBondContact O-N 3.4Å; W711-R714 PolarHBondContact N-O 2.8Å; K712-R714 VanDerWaalsContact C-N 3.3Å; K712-R714 PolarHBondContact O-N 3.31Å; R714-L716 HydrophobicContact CG-CD2 4.19Å; R714-L716 PolarHBondContact O-N 2.86Å
715	I	97.5	Very high	97.6	Very high	45 Å²	45	25.2 Å²	25.2	23%	0.231	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	122.5	174.8	-57.6	157.5	0	0	0	109.1	N595 Y662 L708	N595-I715 HydrophobicContact CB-CG2 4.03Å; N595-I715 PolarHBondContact ND2-O 3.3Å; Y662-I715 HydrophobicContact CE1-CD1 4.13Å; L708-I715 HydrophobicContact CB-CG1 4.47Å; L708-I715 HydrophobicContact CB-CG2 4.17Å; L708-I715 HydrophobicContact CD1-CD1 3.8Å; L708-I715 HydrophobicContact CD1-CG1 4.43Å; L708-I715 HydrophobicContact CD2-CG2 4.32Å
716	L	97.8	Very high	97.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-39.8	-177.9	-62.6	177.9	0	0	0	112.1	L438 N595 A616 F617 I620 M709 W711 R714	L438-L716 HydrophobicContact CD1-CB 3.84Å; L438-L716 HydrophobicContact CD1-CD1 3.93Å; N595-L716 WeakPolarHBondContact CB-O 3.48Å; N595-L716 PolarHBondContact N-O 3.44Å; A616-L716 HydrophobicContact CB-CD1 4.28Å; A616-L716 HydrophobicContact CB-CD2 3.91Å; F617-L716 HydrophobicContact CE1-CD1 4.38Å; F617-L716 HydrophobicContact CE2-CD1 4.23Å; F617-L716 HydrophobicContact CE2-CD2 4.06Å; F617-L716 HydrophobicContact CZ-CB 4.34Å; F617-L716 HydrophobicContact CZ-CD1 4.08Å; I620-L716 HydrophobicContact CD1-CD1 3.99Å; M709-L716 PolarHBondContact O-N 2.94Å; W711-L716 HydrophobicContact CB-CD1 3.92Å; R714-L716 HydrophobicContact CG-CD2 4.19Å; R714-L716 PolarHBondContact O-N 2.86Å
717	N	98.1	Very high	96.3	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.032	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	154.8	177.9	-70.3	63.7	0	0	0	110.3	L438 D558 I593 M709	L438-N717 HydrophobicContact CB-CB 4.46Å; L438-N717 WeakPolarHBondContact CD1-OD1 3.28Å; D558-N717 PolarHBondContact OD1-ND2 3.49Å; D558-N717 PolarHBondContact OD2-ND2 3.15Å; I593-N717 VanDerWaalsContact O-CA 3.26Å; I593-N717 WeakPolarHBondContact O-CA 3.47Å; M709-N717 HydrophobicContact CE-CB 3.85Å; M709-N717 PolarHBondContact N-O 3.03Å; M709-N717 PolarHBondContact O-N 2.86Å; M709-N717 VanDerWaalsContact O-N 3.1Å
718	A	98.6	Very high	95.3	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	-139	144.1	173.7	0	0	0	0	0	109.7	G592 I593 Y662 W706 L707 L708	G592-A718 CarbonylContact C-O 3.55Å; G592-A718 WeakPolarHBondContact CA-O 3.5Å; I593-A718 HydrophobicContact CD1-CB 4.21Å; I593-A718 HydrophobicContact CG1-CB 3.85Å; I593-A718 WeakPolarHBondContact CG1-O 3.4Å; I593-A718 PolarHBondContact N-O 2.91Å; I593-A718 PolarHBondContact O-N 3.4Å; Y662-A718 HydrophobicContact CG-CB 4.39Å; W706-A718 HydrophobicContact CD2-CB 4.39Å; W706-A718 HydrophobicContact CE3-CB 3.57Å; W706-A718 HydrophobicContact CZ3-CB 3.98Å; L707-A718 WeakPolarHBondContact O-CA 3.49Å; L708-A718 HydrophobicContact CD2-CB 3.57Å
719	I	98.7	Very high	93.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.2	176.3	-169.1	165.3	0	0	0	111.3	F445 I557 V590 H591 W706 L707 M709	F445-I719 HydrophobicContact CB-CD1 4.17Å; F445-I719 HydrophobicContact CB-CG2 4.48Å; F445-I719 HydrophobicContact CD1-CD1 3.48Å; F445-I719 VanDerWaalsContact CD1-CD1 3.48Å; F445-I719 HydrophobicContact CD1-CG1 3.67Å; F445-I719 HydrophobicContact CD1-CG2 4.08Å; F445-I719 HydrophobicContact CD2-CG2 4.35Å; F445-I719 HydrophobicContact CE1-CD1 4.22Å; F445-I719 HydrophobicContact CE1-CG1 3.92Å; F445-I719 HydrophobicContact CE1-CG2 4.41Å; F445-I719 HydrophobicContact CG-CD1 4.1Å; F445-I719 HydrophobicContact CG-CG1 4.43Å; F445-I719 HydrophobicContact CG-CG2 4.04Å; I557-I719 HydrophobicContact CD1-CD1 3.68Å; V590-I719 HydrophobicContact CG1-CD1 3.99Å; V590-I719 HydrophobicContact CG1-CG1 4.26Å; H591-I719 WeakPolarHBondContact O-CA 3.39Å; W706-I719 VanDerWaalsContact CE3-C 3.45Å; L707-I719 HydrophobicContact CB-CG2 3.87Å; L707-I719 HydrophobicContact CD2-CG2 4.15Å; L707-I719 HydrophobicContact CG-CG2 4.44Å; L707-I719 PolarHBondContact N-O 3.08Å; L707-I719 PolarHBondContact O-N 3.01Å; M709-I719 HydrophobicContact CE-CG2 4.07Å
720	S	98.7	Very high	92.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	171.8	177.9	57	0	0	0	0	111.1	H591 W706 W722	H591-S720 PolarHBondContact N-O 2.92Å; H591-S720 PolarHBondContact O-N 3.47Å; W706-S720 VanDerWaalsContact CE3-OG 3.26Å; W706-S720 WeakPolarHBondContact CH2-OG 3.16Å; W706-S720 WeakPolarHBondContact CZ2-OG 3.37Å; W706-S720 WeakPolarHBondContact CZ3-OG 3.47Å; S720-W722 PolarHBondContact OG-NE1 3.28Å
721	T	98.8	Very high	90.1	Very high	6 Å²	6	53.6 Å²	53.6	4%	0.037	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.3	177.9	46.3	0	0	0	0	111	F445 T449 V588 F589 V590 L677	F445-T721 HydrophobicContact CE1-CG2 3.77Å; F445-T721 HydrophobicContact CZ-CG2 4.2Å; T449-T721 HydrophobicContact CG2-CG2 3.77Å; V588-T721 HydrophobicContact CG2-CG2 4.01Å; F589-T721 CarbonylContact O-C 3.55Å; F589-T721 WeakPolarHBondContact O-CA 3.45Å; V590-T721 HydrophobicContact CG1-CG2 4.47Å; V590-T721 HydrophobicContact CG2-CG2 4.13Å; L677-T721 WeakPolarHBondContact CB-OG1 3.29Å; L677-T721 PolarHBondContact N-O 3.31Å
722	W	98.8	Very high	87.3	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	159.3	-173	-55	80.6	0	0	0	110.5	F589 K666 N669 L670 L674 E675 Q676 W706 S720	F589-W722 HydrophobicContact CB-CB 4.22Å; F589-W722 HydrophobicContact CD1-CB 3.97Å; F589-W722 HydrophobicContact CD1-CG 4.24Å; F589-W722 HydrophobicContact CG-CB 4.49Å; F589-W722 PolarHBondContact N-O 3.48Å; F589-W722 PolarHBondContact O-N 3.02Å; K666-W722 HydrophobicContact CB-CH2 4.21Å; K666-W722 HydrophobicContact CG-CH2 4.03Å; N669-W722 HydrophobicContact CB-CD2 3.78Å; N669-W722 HydrophobicContact CB-CE3 3.44Å; N669-W722 VanDerWaalsContact CB-CE3 3.44Å; N669-W722 HydrophobicContact CB-CH2 3.7Å; N669-W722 HydrophobicContact CB-CZ2 4Å; N669-W722 HydrophobicContact CB-CZ3 3.38Å; N669-W722 VanDerWaalsContact ND2-CZ2 3.25Å; N669-W722 WeakPolarHBondContact ND2-CZ2 3.26Å; L670-W722 HydrophobicContact CD2-CZ3 4.41Å; L670-W722 HydrophobicContact CG-CZ3 4.44Å; L674-W722 HydrophobicContact CB-CB 4.35Å; L674-W722 HydrophobicContact CB-CE3 4.11Å; E675-W722 CarbonylContact O-C 3.52Å; E675-W722 VanDerWaalsContact O-CA 3.26Å; E675-W722 WeakPolarHBondContact O-CA 3.45Å; Q676-W722 HydrophobicContact CB-CD2 4.36Å; Q676-W722 HydrophobicContact CB-CE3 3.82Å; Q676-W722 HydrophobicContact CB-CH2 3.74Å; Q676-W722 HydrophobicContact CB-CZ2 4.3Å; Q676-W722 HydrophobicContact CB-CZ3 3.51Å; Q676-W722 HydrophobicContact CG-CD2 4.34Å; Q676-W722 HydrophobicContact CG-CE3 4.26Å; Q676-W722 HydrophobicContact CG-CH2 3.76Å; Q676-W722 HydrophobicContact CG-CZ2 3.85Å; Q676-W722 HydrophobicContact CG-CZ3 4.01Å; W706-W722 AromaticContact CZ2-CZ2 3.71Å; W706-W722 HydrophobicContact CZ2-CZ2 3.71Å; S720-W722 PolarHBondContact OG-NE1 3.28Å
723	K	98.1	Very high	86.9	Confident	59 Å²	59	65.3 Å²	65.3	26%	0.257	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	161.2	165	64.8	174.1	168.1	113.1	0	110	L674 E675 L677 S725	L674-K723 CarbonylContact C-O 3.59Å; L674-K723 VanDerWaalsContact CA-O 3.31Å; L674-K723 WeakPolarHBondContact CA-O 3.46Å; E675-K723 HydrophobicContact CG-CD 4.44Å; E675-K723 HydrophobicContact CG-CG 3.55Å; E675-K723 PolarHBondContact N-O 3.3Å; E675-K723 PolarHBondContact O-N 3.22Å; E675-K723 WeakPolarHBondContact OE1-CD 3.38Å; E675-K723 WeakPolarHBondContact OE1-CE 3.5Å; E675-K723 WeakPolarHBondContact OE1-CG 3.35Å; E675-K723 IonicContact OE1-NZ 2.92Å; E675-K723 PolarHBondContact OE1-NZ 3.2Å; L677-K723 HydrophobicContact CD2-CD 3.79Å; L677-K723 HydrophobicContact CD2-CG 3.84Å; L677-K723 HydrophobicContact CG-CG 4.35Å; K723-S725 PolarHBondContact O-N 3.34Å
724	P	97.6	Very high	86.6	Confident	26 Å²	26	65.4 Å²	65.4	17%	0.169	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	134.3	169.2	-15	25.1	0	0	0	110.3	R582 K585 P586	R582-P724 HydrophobicContact CG-CB 4.42Å; K585-P724 HydrophobicContact CB-CG 4.37Å; P586-P724 VanDerWaalsContact O-CD 3.24Å; P586-P724 WeakPolarHBondContact O-CD 3.29Å
725	S	95.3	Very high	86.1	Confident	27 Å²	27	63.8 Å²	63.8	19%	0.189	32%	0.319	C	S	.	.			trans	-72	130.2	173.2	178.7	0	0	0	0	110.2	G673 K723 S727	G673-S725 WeakPolarHBondContact O-CB 3.5Å; G673-S725 PolarHBondContact O-N 3.16Å; K723-S725 PolarHBondContact O-N 3.34Å; S725-S727 VanDerWaalsContact C-N 3.27Å; S725-S727 VanDerWaalsContact OG-OG 3.06Å; S725-S727 PolarHBondContact OG-OG 2.99Å; S725-S727 PolarHBondContact OG-N 3.18Å; S725-S727 PolarHBondContact O-N 3.28Å
726	E	87.9	Confident	85.4	Confident	175 Å²	175	64.9 Å²	64.9	82%	0.818	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-21.2	177.1	-67	175	-165.9	0	0	112.7
727	S	81.6	Confident	84.6	Confident	98 Å²	98	69 Å²	69	69%	0.685	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	6.2	-178.1	60.3	0	0	0	0	114	S725 D729	S725-S727 VanDerWaalsContact C-N 3.27Å; S725-S727 VanDerWaalsContact OG-OG 3.06Å; S725-S727 PolarHBondContact OG-OG 2.99Å; S725-S727 PolarHBondContact OG-N 3.18Å; S725-S727 PolarHBondContact O-N 3.28Å; S727-D729 PolarHBondContact O-N 2.72Å
728	Y	78.1	Confident	83.7	Confident	93 Å²	93	73.2 Å²	73.2	37%	0.365	37%	0.365	S	S	.	.			trans	-87.3	101.6	-174.9	-171.7	-91.3	0	0	0	111.1	R582 N671 G673 G730	R582-Y728 PolarHBondContact NH1-OH 3.33Å; N671-Y728 PolarHBondContact O-OH 3.45Å; G673-Y728 VanDerWaalsContact CA-CE2 3.44Å; Y728-G730 PolarHBondContact O-N 3.43Å
729	D	69.6	Low	82.7	Confident	149 Å²	149	78.4 Å²	78.4	80%	0.797	39%	0.391	S	S	*	.			trans	-82.4	21.3	178.3	-68.2	-29.8	0	0	0	113.9	S727 D731	S727-D729 PolarHBondContact O-N 2.72Å; D729-D731 PolarHBondContact O-N 3.43Å
730	G	61.8	Low	81.4	Confident	18 Å²	18	84.5 Å²	84.5	19%	0.186	42%	0.421	C	S	.	.			trans	-79.2	53.1	-167.1	0	0	0	0	0	116.3	Y728 Y732	Y728-G730 PolarHBondContact O-N 3.43Å; G730-Y732 PolarHBondContact O-N 3.23Å; G730-Y732 VanDerWaalsContact O-N 3.16Å
731	D	52	Low	80	Confident	155 Å²	155	91.5 Å²	91.5	83%	0.829	46%	0.456	S	S	*	.			trans	-73.9	80	150.8	-76.6	-20.2	0	0	0	108	D729	D729-D731 PolarHBondContact O-N 3.43Å
732	Y	40.2	Very low	78.3	Confident	292 Å²	292	99.3 Å²	99.3	100%	1.145	49%	0.494	S	S	*	.			trans	-128.8	0	165.1	-78.3	-75.6	0	0	0	110.6	G730	G730-Y732 PolarHBondContact O-N 3.23Å; G730-Y732 VanDerWaalsContact O-N 3.16Å

Retrieved 732 of 732 residues in 378.5 ms (Link to these results)

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