A0A5K4F3X9_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3X9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 686 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.3	Very low	27.4	Very low	246 Å²	246	143.4 Å²	143.4	100%	1.212	84%	0.841	S	S	*	*				0	101.4	0	-73	166.7	105.9	0	0	106.7
2	V	27.7	Very low	27.2	Very low	141 Å²	141	141 Å²	141	86%	0.855	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-88.5	132.3	-177.1	177.9	0	0	0	0	107.7	S4	V2-S4 PolarHBondContact O-N 3.37Å
3	P	30.9	Very low	26.9	Very low	121 Å²	121	144.5 Å²	144.5	79%	0.786	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-68.2	131.1	-169.4	-14.8	29.3	0	0	0	111.8	A5	P3-A5 PolarHBondContact O-N 3.33Å
4	S	29.8	Very low	26.8	Very low	114 Å²	114	141.5 Å²	141.5	80%	0.797	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-55.6	122.7	174.3	35	0	0	0	0	111.9	V2 T6	V2-S4 PolarHBondContact O-N 3.37Å; S4-T6 PolarHBondContact O-N 3.32Å
5	A	30.3	Very low	26.6	Very low	93 Å²	93	140.1 Å²	140.1	77%	0.769	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-58.1	117.5	174.5	0	0	0	0	0	110.7	P3 T7	P3-A5 PolarHBondContact O-N 3.33Å; A5-T7 PolarHBondContact O-N 3.11Å; A5-T7 VanDerWaalsContact O-N 3.12Å
6	T	29.2	Very low	26.5	Very low	137 Å²	137	140.6 Å²	140.6	84%	0.84	83%	0.828	S	S	*	*			trans	-61.9	107.1	170.5	-2.4	0	0	0	0	108.8	S4 C8	S4-T6 PolarHBondContact O-N 3.32Å; T6-C8 PolarHBondContact O-N 3.48Å; T6-C8 VanDerWaalsContact O-N 3.14Å
7	T	26.8	Very low	26.7	Very low	131 Å²	131	138.4 Å²	138.4	80%	0.804	82%	0.822	S	S	*	*			trans	-66.4	103.6	168.6	41.8	0	0	0	0	109.1	A5 S9	A5-T7 PolarHBondContact O-N 3.11Å; A5-T7 VanDerWaalsContact O-N 3.12Å; T7-S9 PolarHBondContact O-N 3.24Å
8	C	23.7	Very low	26.6	Very low	109 Å²	109	138.9 Å²	138.9	74%	0.736	82%	0.82	S	S	*	*			trans	-65.8	96.6	166.5	-78.1	0	0	0	0	109.4	T6 F10	T6-C8 PolarHBondContact O-N 3.48Å; T6-C8 VanDerWaalsContact O-N 3.14Å; C8-F10 PolarHBondContact O-N 3.15Å
9	S	24	Very low	26.6	Very low	104 Å²	104	140.2 Å²	140.2	73%	0.727	82%	0.823	S	S	*	*			trans	-74.9	104.8	167.1	48.1	0	0	0	0	109.2	T7 Q11	T7-S9 PolarHBondContact O-N 3.24Å; S9-Q11 PolarHBondContact O-N 3.17Å
10	F	24.1	Very low	26.6	Very low	196 Å²	196	138.1 Å²	138.1	86%	0.86	82%	0.816	S	S	*	*			trans	-70.4	105	167.2	-77.5	-90.5	0	0	0	108.7	C8 S12	C8-F10 PolarHBondContact O-N 3.15Å; F10-S12 PolarHBondContact O-N 3.06Å
11	Q	23.4	Very low	26.6	Very low	185 Å²	185	140.6 Å²	140.6	86%	0.864	82%	0.82	S	S	*	*			trans	-74.5	106.1	163.7	-78.9	-177.4	-14.8	0	0	107.7	S9 E13	S9-Q11 PolarHBondContact O-N 3.17Å; Q11-E13 PolarHBondContact O-N 2.74Å
12	S	25.3	Very low	26.4	Very low	115 Å²	115	136.3 Å²	136.3	80%	0.804	80%	0.801	S	S	*	*			trans	-73.9	108.3	168.5	51.8	0	0	0	0	108.7	F10 S14	F10-S12 PolarHBondContact O-N 3.06Å; S12-S14 PolarHBondContact O-N 3.32Å; S12-S14 VanDerWaalsContact O-N 3.15Å
13	E	23.2	Very low	26.3	Very low	186 Å²	186	135.4 Å²	135.4	87%	0.869	80%	0.799	S	S	*	*			trans	-61.3	112.9	168.5	-75.2	178.7	155.1	0	0	109.1	Q11 C15	Q11-E13 PolarHBondContact O-N 2.74Å; E13-C15 PolarHBondContact O-N 2.99Å; E13-C15 VanDerWaalsContact O-N 3.11Å
14	S	25.1	Very low	25.9	Very low	103 Å²	103	139.9 Å²	139.9	72%	0.72	81%	0.807	S	S	*	*			trans	-69.5	101	170.1	54	0	0	0	0	108.3	S12 N16	S12-S14 PolarHBondContact O-N 3.32Å; S12-S14 VanDerWaalsContact O-N 3.15Å; S14-N16 PolarHBondContact O-N 2.89Å
15	C	24.7	Very low	25.8	Very low	121 Å²	121	138 Å²	138	82%	0.818	81%	0.805	S	S	*	*			trans	-58.7	109.8	166.6	-72.6	0	0	0	0	108.8	E13 S17	E13-C15 PolarHBondContact O-N 2.99Å; E13-C15 VanDerWaalsContact O-N 3.11Å; C15-S17 PolarHBondContact O-N 3.27Å
16	N	24.8	Very low	25.5	Very low	147 Å²	147	142.3 Å²	142.3	79%	0.786	81%	0.81	S	S	*	*			trans	-56.4	100.3	167.4	-77.8	-22.5	0	0	0	108.7	S14 N18	S14-N16 PolarHBondContact O-N 2.89Å; N16-N18 PolarHBondContact O-N 3.25Å
17	S	29.4	Very low	25.4	Very low	104 Å²	104	142.7 Å²	142.7	73%	0.727	81%	0.812	S	S	*	*			trans	-73.6	107.1	167.1	53.4	0	0	0	0	107.5	C15 D19	C15-S17 PolarHBondContact O-N 3.27Å; S17-D19 PolarHBondContact O-N 3.3Å
18	N	25.6	Very low	25.3	Very low	147 Å²	147	141.6 Å²	141.6	79%	0.786	81%	0.809	S	S	*	*			trans	-53.9	121.3	172.9	-73.9	-31.7	0	0	0	110	N16 S20	N16-N18 PolarHBondContact O-N 3.25Å; N18-S20 PolarHBondContact O-N 3.37Å
19	D	26	Very low	25.4	Very low	164 Å²	164	142.2 Å²	142.2	88%	0.877	82%	0.815	S	S	*	*			trans	-60.2	93.4	166.5	-70.5	-46.3	0	0	0	109	S17	S17-D19 PolarHBondContact O-N 3.3Å
20	S	27.6	Very low	25.6	Very low	98 Å²	98	144 Å²	144	69%	0.685	82%	0.821	S	S	*	*			trans	-93.8	95.9	163.6	39.4	0	0	0	0	108.5	N18 L22	N18-S20 PolarHBondContact O-N 3.37Å; S20-L22 PolarHBondContact O-N 2.78Å
21	E	25.2	Very low	25.7	Very low	190 Å²	190	138.8 Å²	138.8	89%	0.888	81%	0.809	S	S	*	*			trans	-52.2	96.3	162.9	-76.9	-179.5	139.6	0	0	109.4	C23	E21-C23 PolarHBondContact O-N 2.95Å
22	L	27.8	Very low	25.8	Very low	157 Å²	157	138 Å²	138	82%	0.822	81%	0.811	S	S	*	*			trans	-84.6	99	169.1	-80.6	166.6	0	0	0	108.3	S20	S20-L22 PolarHBondContact O-N 2.78Å
23	C	25	Very low	25.8	Very low	121 Å²	121	140.4 Å²	140.4	82%	0.818	81%	0.809	S	S	*	*			trans	-45.8	133.6	172.7	-71.5	0	0	0	0	112.6	E21 G25	E21-C23 PolarHBondContact O-N 2.95Å; C23-G25 PolarHBondContact O-N 2.96Å; C23-G25 VanDerWaalsContact O-N 3.09Å
24	F	22.7	Very low	26.1	Very low	215 Å²	215	138.3 Å²	138.3	94%	0.943	80%	0.804	S	S	*	*			trans	-60.4	103.8	172.9	-75.4	-96.6	0	0	0	110.8
25	G	27.2	Very low	26.2	Very low	74 Å²	74	141.9 Å²	141.9	76%	0.763	81%	0.814	S	S	*	*			trans	-91.8	112.9	163.5	0	0	0	0	0	109.5	C23	C23-G25 PolarHBondContact O-N 2.96Å; C23-G25 VanDerWaalsContact O-N 3.09Å
26	E	25.3	Very low	26.3	Very low	185 Å²	185	142.5 Å²	142.5	86%	0.864	81%	0.81	S	S	*	*			trans	-54.7	143.7	-178	-74.3	175.1	138.9	0	0	113.8	S28	E26-S28 PolarHBondContact O-N 3.31Å; E26-S28 VanDerWaalsContact O-N 3.16Å
27	T	25.8	Very low	26.5	Very low	145 Å²	145	143.7 Å²	143.7	89%	0.89	81%	0.81	S	S	*	*			trans	-51.4	105	177.9	47.1	0	0	0	0	112.9
28	S	26.3	Very low	26.3	Very low	107 Å²	107	147.6 Å²	147.6	75%	0.748	82%	0.817	S	S	*	*			trans	-97.8	126.6	158.7	58.7	0	0	0	0	109.7	E26 V30	E26-S28 PolarHBondContact O-N 3.31Å; E26-S28 VanDerWaalsContact O-N 3.16Å; S28-V30 PolarHBondContact O-N 3.41Å
29	S	25.7	Very low	26.4	Very low	123 Å²	123	151.1 Å²	151.1	86%	0.86	82%	0.819	S	S	*	*			trans	-52.6	108.5	-176.8	49.5	0	0	0	0	113	S31	S29-S31 PolarHBondContact O-N 3.17Å
30	V	27.1	Very low	26.5	Very low	140 Å²	140	149.2 Å²	149.2	85%	0.848	81%	0.813	S	S	*	*			trans	-85	106.3	168.4	179.8	0	0	0	0	108.6	S28	S28-V30 PolarHBondContact O-N 3.41Å
31	S	27	Very low	26.4	Very low	88 Å²	88	150.8 Å²	150.8	62%	0.615	81%	0.814	S	S	*	*			trans	-62.5	137.4	171	61.4	0	0	0	0	110.9	S29 Q33	S29-S31 PolarHBondContact O-N 3.17Å; S31-Q33 PolarHBondContact O-N 3.3Å
32	N	24.9	Very low	26.6	Very low	168 Å²	168	148 Å²	148	90%	0.898	81%	0.81	S	S	*	*			trans	-56.5	101.6	167.6	-69.9	-50.7	0	0	0	110.5
33	Q	26.6	Very low	26.6	Very low	165 Å²	165	149.1 Å²	149.1	77%	0.771	81%	0.811	S	S	*	*			trans	-125.2	112.9	156.4	-80.5	-172.9	-10.8	0	0	108.1	S31	S31-Q33 PolarHBondContact O-N 3.3Å
34	D	28.5	Very low	26.6	Very low	143 Å²	143	149 Å²	149	77%	0.765	81%	0.811	S	S	*	*			trans	40.8	92.2	152.7	-60.6	-28.9	0	0	0	117.3	N36	D34-N36 PolarHBondContact O-N 3.39Å
35	L	27.2	Very low	26.7	Very low	177 Å²	177	146.3 Å²	146.3	93%	0.927	80%	0.804	S	S	*	*			trans	-60.8	67.8	157.8	-76.3	159.8	0	0	0	110.5	H37	L35-H37 PolarHBondContact O-N 3.15Å
36	N	26.6	Very low	26.6	Very low	135 Å²	135	151.8 Å²	151.8	72%	0.722	81%	0.807	S	S	*	*			trans	-79.6	103	162.1	-95.8	-29.1	0	0	0	108.2	D34 Q38	D34-N36 PolarHBondContact O-N 3.39Å; N36-Q38 PolarHBondContact O-N 3.24Å
37	H	28.6	Very low	26.8	Very low	171 Å²	171	149.7 Å²	149.7	79%	0.792	80%	0.8	S	S	*	*			trans	30.2	80.9	152.9	-60.2	-30.6	0	0	0	116	L35 R39	L35-H37 PolarHBondContact O-N 3.15Å; H37-R39 VanDerWaalsContact C-N 3.3Å; H37-R39 PolarHBondContact O-N 3.1Å
38	Q	26.5	Very low	26.7	Very low	186 Å²	186	154 Å²	154	87%	0.869	80%	0.802	S	S	*	*			trans	-58.8	99.8	153.8	-116	172	-1.1	0	0	107.4	N36 V40	N36-Q38 PolarHBondContact O-N 3.24Å; Q38-V40 PolarHBondContact O-N 3.28Å; Q38-V40 VanDerWaalsContact O-N 3.07Å
39	R	26.7	Very low	26.7	Very low	221 Å²	221	155.3 Å²	155.3	83%	0.834	81%	0.806	S	S	*	*			trans	-50.4	112.6	159.1	-89.2	179.4	173.5	171.5	-2.1	106.3	H37 D41	H37-R39 VanDerWaalsContact C-N 3.3Å; H37-R39 PolarHBondContact O-N 3.1Å; R39-D41 PolarHBondContact O-N 3.02Å
40	V	27.7	Very low	26.7	Very low	125 Å²	125	152.8 Å²	152.8	76%	0.758	80%	0.799	S	S	*	*			trans	-72.6	105.7	168.2	177.8	0	0	0	0	105.3	Q38 T42	Q38-V40 PolarHBondContact O-N 3.28Å; Q38-V40 VanDerWaalsContact O-N 3.07Å; V40-T42 PolarHBondContact O-N 3.02Å
41	D	26.9	Very low	26.7	Very low	131 Å²	131	151.3 Å²	151.3	70%	0.701	80%	0.795	S	S	*	*			trans	-60.9	106.4	173.1	-74.5	-38.1	0	0	0	109.2	R39 E43	R39-D41 PolarHBondContact O-N 3.02Å; D41-E43 PolarHBondContact O-N 3.31Å
42	T	28.8	Very low	26.6	Very low	131 Å²	131	155.5 Å²	155.5	80%	0.804	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	24.1	-178.8	-16.9	0	0	0	0	113.8	V40	V40-T42 PolarHBondContact O-N 3.02Å
43	E	27.5	Very low	26.6	Very low	181 Å²	181	155.8 Å²	155.8	85%	0.846	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	2.4	-173.7	-79.9	-163.7	156.8	0	0	115.7	D41	D41-E43 PolarHBondContact O-N 3.31Å
44	S	26	Very low	26.6	Very low	117 Å²	117	154 Å²	154	82%	0.818	81%	0.806	S	S	*	*			trans	-114.6	39.6	177.6	48.8	0	0	0	0	113.7
45	M	24.5	Very low	26.4	Very low	160 Å²	160	150.4 Å²	150.4	79%	0.788	80%	0.803	S	S	*	*			trans	-115.3	50.5	163.1	-148.1	161.4	174	0	0	109.9	L47	M45-L47 PolarHBondContact O-N 3.45Å
46	K	25.3	Very low	26.3	Very low	189 Å²	189	146.3 Å²	146.3	82%	0.822	79%	0.789	S	S	*	*			trans	-68.3	86.4	161.6	-79	-178.7	178.8	175.2	0	107.5	Y48	K46-Y48 PolarHBondContact O-N 3.11Å
47	L	27.9	Very low	26.3	Very low	140 Å²	140	148.5 Å²	148.5	73%	0.733	80%	0.797	S	S	*	*			trans	-52.3	118.6	163.2	-77.7	158	0	0	0	107.3	M45 T49	M45-L47 PolarHBondContact O-N 3.45Å; L47-T49 VanDerWaalsContact C-N 3.31Å; L47-T49 PolarHBondContact O-N 3.16Å
48	Y	24.7	Very low	26.1	Very low	235 Å²	235	147.5 Å²	147.5	92%	0.922	80%	0.798	S	S	*	*			trans	-54.2	98.2	167.8	-89	-99.5	0	0	0	108.1	K46 G50	K46-Y48 PolarHBondContact O-N 3.11Å; Y48-G50 PolarHBondContact O-N 3.14Å
49	T	25.9	Very low	26.2	Very low	135 Å²	135	143.5 Å²	143.5	83%	0.828	79%	0.79	S	S	*	*			trans	-66.6	87.8	161.2	29.8	0	0	0	0	106.7	L47 S51	L47-T49 VanDerWaalsContact C-N 3.31Å; L47-T49 PolarHBondContact O-N 3.16Å; T49-S51 PolarHBondContact O-N 2.9Å
50	G	26.8	Very low	26.1	Very low	70 Å²	70	138.3 Å²	138.3	72%	0.722	79%	0.788	S	S	*	*			trans	-57.2	118.3	169.2	0	0	0	0	0	108.8	Y48 E52	Y48-G50 PolarHBondContact O-N 3.14Å; G50-E52 PolarHBondContact O-N 3Å
51	S	26.8	Very low	26.1	Very low	110 Å²	110	140 Å²	140	77%	0.769	79%	0.791	S	S	*	*			trans	-38.6	126.2	-177.2	-54.4	0	0	0	0	113.6	T49 L53	T49-S51 PolarHBondContact O-N 2.9Å; S51-L53 PolarHBondContact O-N 3.02Å
52	E	24.4	Very low	26.1	Very low	176 Å²	176	142.1 Å²	142.1	82%	0.822	80%	0.797	S	S	*	*			trans	-56.1	101.1	163.2	-70	177.6	149.6	0	0	108.8	G50 T54	G50-E52 PolarHBondContact O-N 3Å; E52-T54 HydrophobicContact CB-CG2 4.35Å; E52-T54 PolarHBondContact O-N 3.48Å
53	L	26	Very low	25.9	Very low	174 Å²	174	142.5 Å²	142.5	91%	0.911	79%	0.794	S	S	*	*			trans	-73	85.5	159.9	-83.3	160.5	0	0	0	106.9	S51 G55	S51-L53 PolarHBondContact O-N 3.02Å; L53-G55 PolarHBondContact O-N 3.3Å
54	T	25.2	Very low	25.8	Very low	126 Å²	126	145.9 Å²	145.9	77%	0.773	80%	0.799	S	S	*	*			trans	-66.5	72.1	166.3	39.9	0	0	0	0	109.6	E52 S56	E52-T54 HydrophobicContact CB-CG2 4.35Å; E52-T54 PolarHBondContact O-N 3.48Å; T54-S56 VanDerWaalsContact C-N 3.32Å; T54-S56 PolarHBondContact O-N 3.46Å; T54-S56 VanDerWaalsContact O-N 3.11Å
55	G	24.8	Very low	25.8	Very low	68 Å²	68	146.3 Å²	146.3	70%	0.701	79%	0.792	S	S	*	*			trans	-78.7	83.1	166.5	0	0	0	0	0	109.7	L53 M57	L53-G55 PolarHBondContact O-N 3.3Å; G55-M57 PolarHBondContact O-N 2.91Å; G55-M57 VanDerWaalsContact O-N 3.08Å
56	S	24.7	Very low	25.9	Very low	91 Å²	91	145.5 Å²	145.5	64%	0.636	79%	0.791	S	S	*	*			trans	-55.3	107.2	168.1	173.1	0	0	0	0	110.1	T54	T54-S56 VanDerWaalsContact C-N 3.32Å; T54-S56 PolarHBondContact O-N 3.46Å; T54-S56 VanDerWaalsContact O-N 3.11Å
57	M	25.8	Very low	26.2	Very low	181 Å²	181	145.2 Å²	145.2	89%	0.892	80%	0.797	S	S	*	*			trans	-106.6	82.9	158.7	-88.8	-163.8	143.4	0	0	108	G55 S59	G55-M57 PolarHBondContact O-N 2.91Å; G55-M57 VanDerWaalsContact O-N 3.08Å; M57-S59 PolarHBondContact O-N 3.46Å; M57-S59 VanDerWaalsContact O-N 3.11Å
58	N	25.5	Very low	26.1	Very low	151 Å²	151	143 Å²	143	81%	0.807	79%	0.793	S	S	*	*			trans	-61.1	105.3	159.9	-72.4	-23	0	0	0	108.1
59	S	27.8	Very low	26.2	Very low	102 Å²	102	140.1 Å²	140.1	71%	0.713	79%	0.788	S	S	*	*			trans	-115.1	100.5	156.2	55.8	0	0	0	0	107.6	M57 I61	M57-S59 PolarHBondContact O-N 3.46Å; M57-S59 VanDerWaalsContact O-N 3.11Å; S59-I61 PolarHBondContact O-N 3.48Å
60	S	25.3	Very low	26.3	Very low	111 Å²	111	141.7 Å²	141.7	78%	0.776	79%	0.791	S	S	*	*			trans	-59.3	111.5	167.5	46.2	0	0	0	0	109.2
61	I	27.3	Very low	26.2	Very low	160 Å²	160	148.1 Å²	148.1	82%	0.821	80%	0.799	S	S	*	*			trans	-104.4	102.4	159.6	-63.5	177.6	0	0	0	105.3	S59	S59-I61 PolarHBondContact O-N 3.48Å
62	E	27.2	Very low	26.2	Very low	176 Å²	176	151.3 Å²	151.3	82%	0.822	80%	0.803	S	S	*	*			trans	-60.2	145.1	176.4	-74	176.5	141.1	0	0	111.6
63	N	23.6	Very low	26.2	Very low	139 Å²	139	151.7 Å²	151.7	74%	0.743	81%	0.805	S	S	*	*			trans	-43.5	139.3	170.7	-78	-22.9	0	0	0	113.3
64	R	25.5	Very low	26.2	Very low	253 Å²	253	148.3 Å²	148.3	96%	0.955	80%	0.796	S	S	*	*			trans	-129.3	88.3	145.1	-122.3	178.9	174.5	165.5	-0.7	108.2
65	D	26.7	Very low	26.2	Very low	125 Å²	125	147.9 Å²	147.9	67%	0.668	80%	0.797	S	S	*	*			trans	-54.3	131.6	153.7	-68.5	-54.5	0	0	0	108.8
66	D	27.6	Very low	26.2	Very low	144 Å²	144	151.3 Å²	151.3	77%	0.77	80%	0.8	S	S	*	*			trans	168.5	79.9	142.5	-87.5	-22.8	0	0	0	109.8
67	L	30.5	Very low	26.5	Very low	183 Å²	183	154.8 Å²	154.8	96%	0.958	81%	0.809	S	S	*	*			trans	-149.1	64.1	151.5	-112.7	128.7	0	0	0	109
68	S	25.9	Very low	26.5	Very low	92 Å²	92	153.4 Å²	153.4	64%	0.643	81%	0.805	S	S	*	*			trans	-75	151.4	156.5	56	0	0	0	0	109.5
69	Q	27.3	Very low	26.5	Very low	175 Å²	175	149.1 Å²	149.1	82%	0.818	80%	0.797	S	S	*	*			trans	86.4	69.6	168	-49	-173.1	16.4	0	0	118.3
70	L	28	Very low	26.6	Very low	168 Å²	168	151.7 Å²	151.7	88%	0.88	80%	0.803	S	S	*	*			trans	-122.7	89.1	136.2	-88.3	167.8	0	0	0	108.9	M72	L70-M72 PolarHBondContact O-N 2.98Å; L70-M72 VanDerWaalsContact O-N 3.11Å
71	K	24.7	Very low	26.7	Very low	206 Å²	206	153.4 Å²	153.4	90%	0.896	80%	0.803	S	S	*	*			trans	-64.7	94.4	171.6	-164.4	-178.1	-170.7	-175.6	0	107.5
72	M	26.1	Very low	26.8	Very low	176 Å²	176	156 Å²	156	87%	0.867	80%	0.804	S	S	*	*			trans	-91.9	115.1	165.5	-77.8	-124.2	-102	0	0	107.6	L70 S74	L70-M72 PolarHBondContact O-N 2.98Å; L70-M72 VanDerWaalsContact O-N 3.11Å; M72-S74 PolarHBondContact O-N 2.87Å; M72-S74 VanDerWaalsContact O-N 3.15Å
73	E	25.2	Very low	26.7	Very low	185 Å²	185	154.1 Å²	154.1	86%	0.864	81%	0.805	S	S	*	*			trans	-46.2	115.1	172.6	-83	165.9	139.4	0	0	110.2	C75	E73-C75 PolarHBondContact O-N 3.11Å
74	S	25.3	Very low	26.9	Very low	103 Å²	103	153.3 Å²	153.3	72%	0.72	81%	0.809	S	S	*	*			trans	-65.7	109.3	164.2	47	0	0	0	0	108	M72 D76	M72-S74 PolarHBondContact O-N 2.87Å; M72-S74 VanDerWaalsContact O-N 3.15Å; S74-D76 PolarHBondContact O-N 3.41Å
75	C	26.1	Very low	26.9	Very low	117 Å²	117	146.1 Å²	146.1	79%	0.791	80%	0.797	S	S	*	*			trans	-70.9	115.8	161.2	-69.5	0	0	0	0	108.1	E73 I77	E73-C75 PolarHBondContact O-N 3.11Å; C75-I77 PolarHBondContact O-N 2.83Å
76	D	24.8	Very low	26.8	Very low	140 Å²	140	148.7 Å²	148.7	75%	0.749	80%	0.803	S	S	*	*			trans	-56.4	117.7	169.6	-64.6	-47.1	0	0	0	109.7	S74	S74-D76 PolarHBondContact O-N 3.41Å
77	I	29.6	Very low	26.9	Very low	164 Å²	164	150.9 Å²	150.9	84%	0.841	81%	0.808	S	S	*	*			trans	-112.1	88.7	160.6	-60.4	178.8	0	0	0	104.8	C75	C75-I77 PolarHBondContact O-N 2.83Å
78	D	26.9	Very low	26.7	Very low	151 Å²	151	152.1 Å²	152.1	81%	0.807	81%	0.806	S	S	*	*			trans	-58.5	135.3	167.4	-88.9	-38.7	0	0	0	110.6
79	G	25	Very low	26.7	Very low	61 Å²	61	151 Å²	151	63%	0.629	81%	0.809	S	S	*	*			trans	59.1	109.3	139.4	0	0	0	0	0	117.9
80	D	29.8	Very low	26.6	Very low	156 Å²	156	147.6 Å²	147.6	83%	0.834	81%	0.805	S	S	*	*				-162.2	110.4	115.7	-90.8	-26.4	0	0	0	110.2	Y82	D80-Y82 PolarHBondContact O-N 2.8Å
81	D	28	Very low	26.6	Very low	148 Å²	148	144.6 Å²	144.6	79%	0.791	80%	0.797	S	S	*	*			trans	-56.9	113.6	168.9	-83.8	-42.7	0	0	0	110.8
82	Y	29.5	Very low	26.6	Very low	213 Å²	213	141.3 Å²	141.3	84%	0.835	79%	0.788	S	S	*	*			trans	-126.7	76.5	156.4	-87.5	-81.1	0	0	0	109.9	D80 C84	D80-Y82 PolarHBondContact O-N 2.8Å; Y82-C84 VanDerWaalsContact C-N 3.34Å; Y82-C84 PolarHBondContact O-N 3.43Å; Y82-C84 VanDerWaalsContact O-N 3.11Å
83	T	25.4	Very low	26.6	Very low	137 Å²	137	138.4 Å²	138.4	84%	0.84	78%	0.784	S	S	*	*			trans	-65.7	92.9	151.7	45.5	0	0	0	0	108.8
84	C	26.6	Very low	26.8	Very low	122 Å²	122	137.3 Å²	137.3	82%	0.824	78%	0.781	S	S	*	*			trans	-108.6	111.2	160.6	-159.2	0	0	0	0	109.5	Y82	Y82-C84 VanDerWaalsContact C-N 3.34Å; Y82-C84 PolarHBondContact O-N 3.43Å; Y82-C84 VanDerWaalsContact O-N 3.11Å
85	S	26.2	Very low	26.8	Very low	103 Å²	103	141 Å²	141	72%	0.72	79%	0.792	S	S	*	*			trans	-69.5	152.2	-170.5	-158.3	0	0	0	0	112.6	H87	S85-H87 PolarHBondContact O-N 3.26Å
86	K	25.1	Very low	26.8	Very low	178 Å²	178	140.5 Å²	140.5	77%	0.774	79%	0.789	S	S	*	*			trans	-39.8	120.5	171.1	-66.1	165.4	175.7	175	0	112.8
87	H	29	Very low	26.9	Very low	191 Å²	191	142.7 Å²	142.7	88%	0.884	80%	0.795	S	S	*	*			trans	-129.2	90.1	144.3	-85.2	-67.8	0	0	0	109.3	S85 G89	S85-H87 PolarHBondContact O-N 3.26Å; H87-G89 VanDerWaalsContact C-N 3.26Å; H87-G89 PolarHBondContact O-N 3.08Å
88	F	26	Very low	26.9	Very low	208 Å²	208	143.3 Å²	143.3	91%	0.912	80%	0.799	S	S	*	*			trans	-61.2	91	156	-102	-97.9	0	0	0	107.8
89	G	26	Very low	26.8	Very low	69 Å²	69	144.1 Å²	144.1	71%	0.711	80%	0.798	S	S	*	*			trans	-102.5	84.1	169.8	0	0	0	0	0	109.2	H87 S91	H87-G89 VanDerWaalsContact C-N 3.26Å; H87-G89 PolarHBondContact O-N 3.08Å; G89-S91 PolarHBondContact O-N 3.11Å
90	S	26	Very low	26.9	Very low	104 Å²	104	149.5 Å²	149.5	73%	0.727	81%	0.807	S	S	*	*			trans	-51.5	96.8	166.2	155.1	0	0	0	0	109.9
91	S	26.9	Very low	26.9	Very low	104 Å²	104	149.3 Å²	149.3	73%	0.727	81%	0.805	S	S	*	*			trans	-101.9	95.2	161.7	-158.2	0	0	0	0	107.5	G89 C93	G89-S91 PolarHBondContact O-N 3.11Å; S91-C93 PolarHBondContact O-N 3.4Å
92	I	25.6	Very low	26.8	Very low	138 Å²	138	147.7 Å²	147.7	71%	0.708	81%	0.805	S	S	*	*			trans	-60.6	92	164.1	-65.1	166.9	0	0	0	105.6	M94	I92-M94 PolarHBondContact O-N 2.7Å; I92-M94 VanDerWaalsContact O-N 3.09Å
93	C	26.7	Very low	26.6	Very low	114 Å²	114	144.8 Å²	144.8	77%	0.77	80%	0.799	S	S	*	*			trans	-71.5	103.9	168	-95.2	0	0	0	0	107.5	S91 L95	S91-C93 PolarHBondContact O-N 3.4Å; C93-L95 PolarHBondContact O-N 3.26Å
94	M	28.2	Very low	26.6	Very low	162 Å²	162	146.8 Å²	146.8	80%	0.798	80%	0.799	S	S	*	*			trans	-46.9	119	172.7	-66.4	-96.1	-98.9	0	0	110.2	I92 S96	I92-M94 PolarHBondContact O-N 2.7Å; I92-M94 VanDerWaalsContact O-N 3.09Å; M94-S96 PolarHBondContact O-N 2.69Å
95	L	25.5	Very low	26.5	Very low	182 Å²	182	146.5 Å²	146.5	95%	0.953	80%	0.798	S	S	*	*			trans	-63.2	95.5	166	-79.7	157	0	0	0	108.5	C93	C93-L95 PolarHBondContact O-N 3.26Å
96	S	26.5	Very low	26.4	Very low	106 Å²	106	146 Å²	146	74%	0.741	80%	0.795	S	S	*	*			trans	-104.2	101.1	164.5	-55.3	0	0	0	0	107.7	M94	M94-S96 PolarHBondContact O-N 2.69Å
97	E	26.9	Very low	26.3	Very low	185 Å²	185	144.9 Å²	144.9	86%	0.864	80%	0.797	S	S	*	*			trans	18.6	109.8	147.5	-61.6	177.9	161.1	0	0	117
98	L	28.6	Very low	26.1	Very low	177 Å²	177	146.3 Å²	146.3	93%	0.927	79%	0.794	S	S	*	*			trans	-148.4	110.7	141.8	-121.4	125.2	0	0	0	110.6
99	E	25.6	Very low	26.1	Very low	168 Å²	168	146.1 Å²	146.1	79%	0.785	79%	0.793	S	S	*	*			trans	-55.7	159.3	169.2	-73.7	178.3	123.5	0	0	112.8
100	Q	28.1	Very low	26.1	Very low	175 Å²	175	150.3 Å²	150.3	82%	0.818	80%	0.798	S	S	*	*			trans	72.1	107.7	161.7	-69.8	172.8	6.6	0	0	116.5
101	L	28	Very low	26.1	Very low	152 Å²	152	148.5 Å²	148.5	80%	0.796	80%	0.796	S	S	*	*				-166	88.8	111.4	-94	161.7	0	0	0	108	Q103	L101-Q103 PolarHBondContact O-N 3.26Å
102	S	25.9	Very low	26.1	Very low	114 Å²	114	153.4 Å²	153.4	80%	0.797	80%	0.804	S	S	*	*			trans	-67.9	81.9	159.9	61.5	0	0	0	0	108.1	E104	S102-E104 VanDerWaalsContact C-N 3.25Å; S102-E104 PolarHBondContact O-N 2.87Å
103	Q	26.6	Very low	26.1	Very low	152 Å²	152	151.6 Å²	151.6	71%	0.71	80%	0.804	S	S	*	*			trans	-85.2	81.5	159.2	-83.4	-174.1	-16	0	0	107.2	L101 S105	L101-Q103 PolarHBondContact O-N 3.26Å; Q103-S105 VanDerWaalsContact C-N 3.34Å; Q103-S105 PolarHBondContact O-N 3.27Å
104	E	25.7	Very low	26.1	Very low	178 Å²	178	151.5 Å²	151.5	83%	0.832	80%	0.804	S	S	*	*			trans	-59.1	103.3	157.9	-80.7	179	155.4	0	0	107.3	S102 S106	S102-E104 VanDerWaalsContact C-N 3.25Å; S102-E104 PolarHBondContact O-N 2.87Å; E104-S106 PolarHBondContact O-N 2.71Å
105	S	23.6	Very low	26.2	Very low	116 Å²	116	149.7 Å²	149.7	81%	0.811	80%	0.802	S	S	*	*			trans	-66.4	74.8	166.4	41.3	0	0	0	0	108.8	Q103 L107	Q103-S105 VanDerWaalsContact C-N 3.34Å; Q103-S105 PolarHBondContact O-N 3.27Å; S105-L107 PolarHBondContact O-N 3.46Å
106	S	24	Very low	26.3	Very low	93 Å²	93	148 Å²	148	65%	0.65	79%	0.794	S	S	*	*			trans	-68	99.3	170.4	-174.6	0	0	0	0	108.3	E104 R108	E104-S106 PolarHBondContact O-N 2.71Å; S106-R108 VanDerWaalsContact C-N 3.29Å; S106-R108 PolarHBondContact O-N 2.85Å
107	L	23.9	Very low	26.4	Very low	154 Å²	154	148.6 Å²	148.6	81%	0.806	80%	0.797	S	S	*	*			trans	-57.5	91.6	165.7	-77.7	162.4	0	0	0	108.8	S105 F109	S105-L107 PolarHBondContact O-N 3.46Å; L107-F109 PolarHBondContact O-N 2.81Å
108	R	23.4	Very low	26.4	Very low	221 Å²	221	145.4 Å²	145.4	83%	0.834	80%	0.796	S	S	*	*			trans	-74.6	108.4	168.8	-74.5	-169.8	-171.8	-167.4	4.2	108.4	S106 I110	S106-R108 VanDerWaalsContact C-N 3.29Å; S106-R108 PolarHBondContact O-N 2.85Å; R108-I110 PolarHBondContact O-N 2.86Å
109	F	27.2	Very low	26.4	Very low	204 Å²	204	145 Å²	145	90%	0.895	79%	0.789	S	S	*	*			trans	-59.3	107.7	164	-82.9	-90.1	0	0	0	109.2	L107 G111	L107-F109 PolarHBondContact O-N 2.81Å; F109-G111 VanDerWaalsContact C-N 3.33Å; F109-G111 PolarHBondContact O-N 3.16Å
110	I	24.8	Very low	26.5	Very low	157 Å²	157	141.5 Å²	141.5	81%	0.805	78%	0.783	S	S	*	*			trans	-73.1	93.9	168.2	-59.4	174.5	0	0	0	106.4	R108 K112	R108-I110 PolarHBondContact O-N 2.86Å; I110-K112 PolarHBondContact O-N 2.92Å
111	G	25.5	Very low	26.5	Very low	67 Å²	67	140.6 Å²	140.6	69%	0.691	78%	0.784	S	S	*	*			trans	-59.8	116.8	165.9	0	0	0	0	0	108.5	F109 S113	F109-G111 VanDerWaalsContact C-N 3.33Å; F109-G111 PolarHBondContact O-N 3.16Å; G111-S113 PolarHBondContact O-N 3.39Å
112	K	26.9	Very low	26.7	Very low	207 Å²	207	142.9 Å²	142.9	90%	0.9	79%	0.787	S	S	*	*			trans	-51	110	177	-72.3	176.2	176.2	176	0	109.2	I110 S114	I110-K112 PolarHBondContact O-N 2.92Å; K112-S114 PolarHBondContact O-N 2.87Å
113	S	26.8	Very low	26.7	Very low	100 Å²	100	145.6 Å²	145.6	70%	0.699	79%	0.787	S	S	*	*			trans	-59.6	131.5	167.6	40.9	0	0	0	0	108.6	G111 T115	G111-S113 PolarHBondContact O-N 3.39Å; S113-T115 PolarHBondContact O-N 2.93Å
114	S	27.5	Very low	26.8	Very low	111 Å²	111	146.3 Å²	146.3	78%	0.776	80%	0.796	S	S	*	*			trans	-58.6	98.6	174.4	51.5	0	0	0	0	109.9	K112	K112-S114 PolarHBondContact O-N 2.87Å
115	T	29	Very low	26.9	Very low	124 Å²	124	145.2 Å²	145.2	76%	0.761	80%	0.795	S	S	*	*			trans	-88.3	106.9	163.2	16.2	0	0	0	0	108.3	S113 C117	S113-T115 PolarHBondContact O-N 2.93Å; T115-C117 PolarHBondContact O-N 3.41Å; T115-C117 VanDerWaalsContact O-N 3.09Å
116	D	28.2	Very low	27.2	Very low	146 Å²	146	150.9 Å²	150.9	78%	0.781	80%	0.799	S	S	*	*			trans	-43.4	108.9	166	-66.6	-48	0	0	0	110.5
117	C	28	Very low	27.5	Very low	119 Å²	119	151.6 Å²	151.6	80%	0.804	80%	0.804	S	S	*	*			trans	-113.6	94.3	163.7	-75.7	0	0	0	0	106.8	T115 E119	T115-C117 PolarHBondContact O-N 3.41Å; T115-C117 VanDerWaalsContact O-N 3.09Å; C117-E119 PolarHBondContact O-N 2.84Å
118	S	26.9	Very low	27.6	Very low	119 Å²	119	153.3 Å²	153.3	83%	0.832	81%	0.807	S	S	*	*			trans	-57.8	92.2	170.6	-40.4	0	0	0	0	109.7	S120	S118-S120 PolarHBondContact O-N 2.92Å
119	E	28.2	Very low	27.8	Very low	169 Å²	169	152.1 Å²	152.1	79%	0.79	81%	0.808	S	S	*	*			trans	-88.3	92.1	169.6	-121.2	174.6	-175	0	0	108.8	C117	C117-E119 PolarHBondContact O-N 2.84Å
120	S	28.4	Very low	27.9	Very low	94 Å²	94	151.3 Å²	151.3	66%	0.657	81%	0.808	S	S	*	*			trans	14.3	111.3	144.2	56.1	0	0	0	0	118.1	S118 K122	S118-S120 PolarHBondContact O-N 2.92Å; S120-K122 PolarHBondContact O-N 2.88Å
121	D	28.5	Very low	28	Very low	156 Å²	156	152.6 Å²	152.6	83%	0.834	81%	0.807	S	S	*	*			trans	8.1	96.5	136.5	-63.9	-39.3	0	0	0	116.6
122	K	31.2	Very low	28	Very low	200 Å²	200	157 Å²	157	87%	0.87	81%	0.81	S	S	*	*			trans	-125.5	95.9	142.3	-75.3	-169.8	177	179	0	108.7	S120 D124	S120-K122 PolarHBondContact O-N 2.88Å; K122-D124 PolarHBondContact O-N 2.96Å
123	Q	25.7	Very low	28.1	Very low	170 Å²	170	156.8 Å²	156.8	79%	0.794	81%	0.809	S	S	*	*			trans	-47.3	113.8	159.4	-74.8	173.3	-34.5	0	0	109.1
124	D	29.6	Very low	28	Very low	168 Å²	168	159.9 Å²	159.9	90%	0.898	82%	0.817	S	S	*	*			trans	-124.9	97.9	149.8	-110.6	-29.4	0	0	0	107.7	K122 R126	K122-D124 PolarHBondContact O-N 2.96Å; D124-R126 PolarHBondContact O-N 2.99Å
125	L	27.5	Very low	28.1	Very low	155 Å²	155	160.9 Å²	160.9	81%	0.812	81%	0.812	S	S	*	*			trans	-59.1	107.1	172.2	-77.5	145.2	0	0	0	109.3
126	R	29.2	Very low	28.1	Very low	235 Å²	235	159.6 Å²	159.6	89%	0.887	81%	0.808	S	S	*	*			trans	-143.6	86.3	150.9	-107.4	173.9	-168.1	-169.3	3	111.1	D124	D124-R126 PolarHBondContact O-N 2.99Å
127	S	30.2	Very low	27.9	Very low	107 Å²	107	162.5 Å²	162.5	75%	0.748	81%	0.814	S	S	*	*			trans	52.9	101.1	138	57.5	0	0	0	0	117.7	K129	S127-K129 PolarHBondContact O-N 3.1Å
128	E	26.5	Very low	27.9	Very low	190 Å²	190	161.9 Å²	161.9	89%	0.888	81%	0.811	S	S	*	*			trans	-35.2	126.3	146.2	-70	175.8	122.5	0	0	112.2
129	K	27.6	Very low	27.8	Very low	196 Å²	196	162 Å²	162	85%	0.852	81%	0.812	S	S	*	*			trans	-153.4	123	141.2	-110.9	169.6	-172.3	-180	0	109.7	S127	S127-K129 PolarHBondContact O-N 3.1Å
130	Q	29.1	Very low	27.7	Very low	188 Å²	188	157.4 Å²	157.4	88%	0.879	81%	0.81	S	S	*	*			trans	85.4	72.3	159.6	-61.2	-178.1	-16.6	0	0	117.1
131	K	26.7	Very low	27.4	Very low	184 Å²	184	162.6 Å²	162.6	80%	0.8	82%	0.82	S	S	*	*			trans	-61.5	148.4	139.8	-89.9	-179.8	175.3	176.9	0	111.1
132	E	26.9	Very low	27.3	Very low	160 Å²	160	165 Å²	165	75%	0.748	82%	0.823	S	S	*	*			trans	69.2	96.2	148	-71.9	168.4	-173.6	0	0	119.1
133	K	29.2	Very low	26.8	Very low	201 Å²	201	166.6 Å²	166.6	87%	0.874	83%	0.825	S	S	*	*			trans	-132.8	80.8	133.7	-90.8	-174.5	179	176.5	0	110
134	L	24.5	Very low	26.9	Very low	165 Å²	165	167.5 Å²	167.5	86%	0.864	83%	0.83	S	S	*	*			trans	-76.5	103.3	151.7	-96.7	151.1	0	0	0	107.1
135	I	30.1	Very low	26.5	Very low	133 Å²	133	167.1 Å²	167.1	68%	0.682	82%	0.822	S	S	*	*			trans	-134.4	99.6	162.8	-60.3	-177.2	0	0	0	108.4
136	S	27.5	Very low	26.5	Very low	97 Å²	97	168.5 Å²	168.5	68%	0.678	83%	0.827	S	S	*	*			trans	19.8	120.9	139.2	41.8	0	0	0	0	120.8
137	K	25	Very low	26.3	Very low	206 Å²	206	163.2 Å²	163.2	90%	0.896	82%	0.816	S	S	*	*				13.7	118.5	127.6	-66.6	178.8	177.2	176.5	0	117.2
138	S	27	Very low	26	Very low	107 Å²	107	168.3 Å²	168.3	75%	0.748	82%	0.819	S	S	*	*			trans	-174.6	109.4	134.4	51.3	0	0	0	0	107.5
139	S	25.3	Very low	25.9	Very low	122 Å²	122	170.4 Å²	170.4	85%	0.853	82%	0.819	S	S	*	*				72.6	126.5	104.8	74.3	0	0	0	0	114.6
140	G	25.5	Very low	25.9	Very low	72 Å²	72	166.4 Å²	166.4	74%	0.742	82%	0.815	S	S	*	*			trans	121.3	84.8	146.7	0	0	0	0	0	116.2
141	K	23.6	Very low	25.6	Very low	203 Å²	203	162.9 Å²	162.9	88%	0.883	81%	0.812	S	S	*	*			trans	8.2	118.4	138.5	-63.5	173.6	176.7	177.1	0	116
142	K	25.4	Very low	25.7	Very low	206 Å²	206	165.1 Å²	165.1	90%	0.896	82%	0.815	S	S	*	*				-168.2	122.9	119.5	-109.8	170.2	179.1	179.1	0	110.9	Q144	K142-Q144 PolarHBondContact O-N 3.41Å
143	Y	21.3	Very low	25.7	Very low	233 Å²	233	169.3 Å²	169.3	91%	0.914	82%	0.824	S	S	*	*			trans	-47.5	128.4	157.9	-83.9	-105.6	0	0	0	109.8
144	Q	27.3	Very low	25.7	Very low	189 Å²	189	167.8 Å²	167.8	88%	0.883	82%	0.823	S	S	*	*			trans	-150	114.9	143.1	-110.7	171.9	18.9	0	0	109.9	K142 M146	K142-Q144 PolarHBondContact O-N 3.41Å; Q144-M146 PolarHBondContact O-N 2.92Å
145	H	22.3	Very low	25.8	Very low	160 Å²	160	163 Å²	163	74%	0.741	81%	0.814	S	S	*	*			trans	-54.3	119.2	168.1	-157.1	-76.5	0	0	0	109	D147	H145-D147 IonicContact CE1-OD2 3.91Å; H145-D147 PolarHBondContact CE1-OD2 3.41Å; H145-D147 IonicContact ND1-OD2 2.78Å
146	M	27.3	Very low	25.6	Very low	185 Å²	185	165.5 Å²	165.5	91%	0.911	82%	0.823	S	S	*	*			trans	-133.8	106.9	159.7	-87.4	-63.9	-167.8	0	0	108.8	Q144	Q144-M146 PolarHBondContact O-N 2.92Å
147	D	24.3	Very low	25.6	Very low	123 Å²	123	168.4 Å²	168.4	66%	0.658	83%	0.83	S	S	*	*			trans	-62.2	161.2	167	-110.2	-49.1	0	0	0	112.1	H145	H145-D147 IonicContact CE1-OD2 3.91Å; H145-D147 PolarHBondContact CE1-OD2 3.41Å; H145-D147 IonicContact ND1-OD2 2.78Å
148	R	24.9	Very low	25.6	Very low	215 Å²	215	168 Å²	168	81%	0.811	83%	0.829	S	S	*	*			trans	81.9	106.4	159.1	-76.3	179.6	170.3	-174.6	-2.1	119.8
149	R	23.5	Very low	25.6	Very low	234 Å²	234	170.3 Å²	170.3	88%	0.883	83%	0.828	S	S	*	*				49.8	108.5	123	-70.3	-178.3	177.2	175	-1.2	117.1
150	S	26.7	Very low	25.5	Very low	111 Å²	111	174 Å²	174	78%	0.776	83%	0.829	S	S	*	*				-156.1	117.6	127.5	-175.7	0	0	0	0	111.1
151	S	24.4	Very low	25.4	Very low	115 Å²	115	176.7 Å²	176.7	80%	0.804	83%	0.826	S	S	*	*			trans	-48	132.7	164.6	-41.8	0	0	0	0	111.8
152	R	27.9	Very low	25.4	Very low	230 Å²	230	175.3 Å²	175.3	87%	0.868	82%	0.82	S	S	*	*			trans	-134.5	115.4	153.9	-81.4	-168.8	-173.5	179.4	3.2	109.6
153	R	26.6	Very low	25.2	Very low	249 Å²	249	170.8 Å²	170.8	94%	0.94	81%	0.814	S	S	*	*			trans	-65.4	126.2	167	-65	175.6	-175.6	174.2	0.4	109.4
154	I	28.6	Very low	25.3	Very low	168 Å²	168	168.5 Å²	168.5	86%	0.862	81%	0.809	S	S	*	*			trans	-154.8	127.2	156.7	-53.7	178.6	0	0	0	102.9
155	G	27	Very low	25	Very low	65 Å²	65	166.3 Å²	166.3	67%	0.67	81%	0.809	S	S	*	*			cis	166.5	132.2	9.5	0	0	0	0	0	103.6	N157	G155-N157 PolarHBondContact O-N 2.92Å
156	H	25.9	Very low	25.2	Very low	186 Å²	186	165.5 Å²	165.5	86%	0.861	81%	0.81	S	S	*	*			trans	-50.3	113.6	-172.7	-77.4	-84.3	0	0	0	114.1
157	N	27.5	Very low	25.1	Very low	157 Å²	157	160.6 Å²	160.6	84%	0.84	80%	0.798	S	S	*	*			trans	-99.1	107.8	153.4	-91.5	-11.2	0	0	0	108.7	G155 E159	G155-N157 PolarHBondContact O-N 2.92Å; N157-E159 VanDerWaalsContact C-N 3.28Å; N157-E159 PolarHBondContact O-N 2.84Å
158	K	26.3	Very low	25.2	Very low	199 Å²	199	161.9 Å²	161.9	87%	0.865	81%	0.805	S	S	*	*			trans	-70.5	79.9	173	-73.4	178.5	174.9	177	0	109.4
159	E	25.6	Very low	25.2	Very low	154 Å²	154	158.7 Å²	158.7	72%	0.72	80%	0.804	S	S	*	*			trans	-89	114.4	158.1	-78.6	-178	163.6	0	0	107.9	N157 N161	N157-E159 VanDerWaalsContact C-N 3.28Å; N157-E159 PolarHBondContact O-N 2.84Å; E159-N161 PolarHBondContact O-N 3.27Å
160	K	23.3	Very low	25.3	Very low	201 Å²	201	155.1 Å²	155.1	87%	0.874	80%	0.802	S	S	*	*			trans	-67.3	76	176.3	-69.2	-179.6	177.3	-178.9	0	109	F162	K160-F162 PolarHBondContact O-N 3.49Å
161	N	24.5	Very low	25.2	Very low	127 Å²	127	156.9 Å²	156.9	68%	0.679	80%	0.803	S	S	*	*			trans	-76.4	120.1	167.2	-72.2	-28.3	0	0	0	107.5	E159 S163	E159-N161 PolarHBondContact O-N 3.27Å; N161-S163 VanDerWaalsContact C-N 3.35Å; N161-S163 PolarHBondContact O-N 3.22Å
162	F	23.1	Very low	25.2	Very low	175 Å²	175	158.5 Å²	158.5	77%	0.768	80%	0.801	S	S	*	*			trans	-52.2	100	169.3	-80.9	-93.7	0	0	0	108.3	K160 F164	K160-F162 PolarHBondContact O-N 3.49Å; F162-F164 PolarHBondContact O-N 3.11Å
163	S	20.7	Very low	25.1	Very low	110 Å²	110	153 Å²	153	77%	0.769	79%	0.788	S	S	*	*			trans	-78.5	104.5	172.1	28.8	0	0	0	0	106.7	N161 T165	N161-S163 VanDerWaalsContact C-N 3.35Å; N161-S163 PolarHBondContact O-N 3.22Å; S163-T165 PolarHBondContact O-N 3.12Å
164	F	23.3	Very low	25.1	Very low	186 Å²	186	146.7 Å²	146.7	82%	0.816	78%	0.78	S	S	*	*			trans	-67	115.4	153	-77.1	-90	0	0	0	105.9	F162 L166	F162-F164 PolarHBondContact O-N 3.11Å; F164-L166 PolarHBondContact O-N 3Å
165	T	22.3	Very low	25.1	Very low	143 Å²	143	147.2 Å²	147.2	88%	0.877	78%	0.776	S	S	*	*			trans	-55.9	101	172.6	25.6	0	0	0	0	108.7	S163 A167	S163-T165 PolarHBondContact O-N 3.12Å; T165-A167 PolarHBondContact O-N 3.14Å
166	L	25.9	Very low	25.1	Very low	143 Å²	143	149.8 Å²	149.8	75%	0.749	78%	0.784	S	S	*	*			trans	-60.7	129.4	163.5	-96.3	110.5	0	0	0	107.6	F164 D168	F164-L166 PolarHBondContact O-N 3Å; L166-D168 PolarHBondContact O-N 3.1Å; L166-D168 VanDerWaalsContact O-N 3.07Å
167	A	24.7	Very low	25.2	Very low	82 Å²	82	148.9 Å²	148.9	68%	0.678	78%	0.78	S	S	*	*			trans	-60.8	108.5	156.1	0	0	0	0	0	106.8	T165 D169	T165-A167 PolarHBondContact O-N 3.14Å; A167-D169 PolarHBondContact O-N 2.85Å
168	D	26.2	Very low	25.1	Very low	149 Å²	149	146.1 Å²	146.1	80%	0.797	77%	0.773	S	S	*	*			trans	-67.6	30.5	178.8	-83.6	-33.2	0	0	0	113.3	L166 L170	L166-D168 PolarHBondContact O-N 3.1Å; L166-D168 VanDerWaalsContact O-N 3.07Å; D168-L170 PolarHBondContact O-N 2.94Å
169	D	24.8	Very low	25.3	Very low	149 Å²	149	144.3 Å²	144.3	80%	0.797	77%	0.771	S	S	*	*			trans	-96.9	24.5	-174.3	-76.4	-20.5	0	0	0	114.1	A167	A167-D169 PolarHBondContact O-N 2.85Å
170	L	25.5	Very low	25.4	Very low	158 Å²	158	146 Å²	146	83%	0.827	78%	0.776	S	S	*	*			trans	-112.7	65.9	166.5	-69.9	172.9	0	0	0	110	D168 I172	D168-L170 PolarHBondContact O-N 2.94Å; L170-I172 PolarHBondContact O-N 2.87Å
171	N	24.4	Very low	25.8	Very low	149 Å²	149	141.7 Å²	141.7	80%	0.797	77%	0.771	S	S	*	*			trans	-61.4	87.2	156.5	-111.8	-31	0	0	0	108	N173	N171-N173 PolarHBondContact O-N 2.84Å
172	I	25.6	Very low	26.2	Very low	149 Å²	149	140.9 Å²	140.9	76%	0.764	77%	0.771	S	S	*	*			trans	-69.3	83.8	167.2	-58.5	172.3	0	0	0	105.8	L170 P174	L170-I172 PolarHBondContact O-N 2.87Å; I172-P174 WeakPolarHBondContact O-CD 3.49Å
173	N	24.9	Very low	26.6	Very low	114 Å²	114	138.1 Å²	138.1	61%	0.61	77%	0.773	S	S	*	*			trans	-56.8	125.9	167.3	-100.7	-21.9	0	0	0	107.3	N171 F175	N171-N173 PolarHBondContact O-N 2.84Å; N173-F175 VanDerWaalsContact C-N 3.3Å; N173-F175 WeakPolarHBondContact O-CD2 2.85Å; N173-F175 PolarHBondContact O-N 2.77Å
174	P	27.4	Very low	27.2	Very low	117 Å²	117	142 Å²	142	76%	0.76	78%	0.779	S	S	*	*			trans	-66.2	97.2	172.2	26.4	-30.2	0	0	0	107	I172 S176	I172-P174 WeakPolarHBondContact O-CD 3.49Å; P174-S176 PolarHBondContact O-N 3.29Å
175	F	29.2	Very low	27.6	Very low	178 Å²	178	138.5 Å²	138.5	78%	0.781	77%	0.768	S	S	*	*			trans	-53.5	112.2	176	-81.3	-89.6	0	0	0	108.8	N173 E177	N173-F175 VanDerWaalsContact C-N 3.3Å; N173-F175 WeakPolarHBondContact O-CD2 2.85Å; N173-F175 PolarHBondContact O-N 2.77Å; F175-E177 HydrophobicContact CB-CG 4.34Å; F175-E177 PolarHBondContact O-N 2.98Å
176	S	25	Very low	28.2	Very low	119 Å²	119	134.6 Å²	134.6	83%	0.832	75%	0.75	S	S	*	*			trans	-70.1	75.7	164.8	55.7	0	0	0	0	107.8	P174 S178	P174-S176 PolarHBondContact O-N 3.29Å; S176-S178 PolarHBondContact O-N 3.26Å; S176-S178 VanDerWaalsContact O-N 3.11Å
177	E	29	Very low	28.9	Very low	167 Å²	167	132.1 Å²	132.1	78%	0.78	75%	0.745	S	S	*	*			trans	-66.6	110.8	174.5	-82.6	178.1	164.5	0	0	109	F175 I179	F175-E177 HydrophobicContact CB-CG 4.34Å; F175-E177 PolarHBondContact O-N 2.98Å; E177-I179 PolarHBondContact O-N 3.36Å
178	S	26.2	Very low	29.7	Very low	100 Å²	100	136.7 Å²	136.7	70%	0.699	75%	0.752	S	S	*	*			trans	-53.6	118.1	170.6	55.8	0	0	0	0	109.6	S176 K180	S176-S178 PolarHBondContact O-N 3.26Å; S176-S178 VanDerWaalsContact O-N 3.11Å; S178-K180 PolarHBondContact O-N 3.42Å
179	I	30.2	Very low	30.2	Very low	160 Å²	160	133.8 Å²	133.8	82%	0.821	74%	0.735	S	S	*	*	S	Bend	trans	-70.7	64.4	176.7	-51.1	170.1	0	0	0	109.4	E177	E177-I179 PolarHBondContact O-N 3.36Å
180	K	28	Very low	31.2	Very low	191 Å²	191	129.6 Å²	129.6	83%	0.83	72%	0.715	S	S	*	*			trans	-144.6	55.1	174.6	-75.2	-165.4	177.6	179.7	0	111.7	S178	S178-K180 PolarHBondContact O-N 3.42Å
181	S	31.2	Very low	32.6	Very low	110 Å²	110	129.4 Å²	129.4	77%	0.769	72%	0.715	S	S	*	*	S	Bend	trans	-169.5	53.4	155.4	56.9	0	0	0	0	111.5
182	V	32.4	Very low	34.1	Very low	110 Å²	110	124 Å²	124	67%	0.667	69%	0.686	S	S	*	*	S	Bend	trans	-109.8	-6.7	168.5	-179.3	0	0	0	0	111.5
183	S	32.5	Very low	35.7	Very low	117 Å²	117	120.2 Å²	120.2	82%	0.818	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	8.8	-164.9	-35.1	0	0	0	0	116.2
184	Q	32.6	Very low	37.2	Very low	190 Å²	190	115.9 Å²	115.9	89%	0.888	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.7	28.8	-178.2	-72.5	-175.4	-15.1	0	0	114.1	A186	Q184-A186 PolarHBondContact O-N 2.88Å
185	I	32.3	Very low	38.9	Very low	114 Å²	114	113.6 Å²	113.6	59%	0.585	63%	0.627	S	S	*	*	S	Bend	trans	-79.3	109.5	165.5	-59	172.6	0	0	0	106.8	S187 L189	I185-S187 PolarHBondContact O-N 2.86Å; I185-L189 HydrophobicContact CG2-CB 4.39Å
186	A	34	Very low	40.5	Very low	61 Å²	61	112 Å²	112	50%	0.504	62%	0.616	S	S	.	*			trans	-40.1	129.3	-179.1	0	0	0	0	0	112.5	Q184 H188 L189	Q184-A186 PolarHBondContact O-N 2.88Å; A186-H188 PolarHBondContact O-N 3.06Å; A186-L189 PolarHBondContact O-N 3.14Å
187	S	40.5	Very low	42.3	Very low	91 Å²	91	106.6 Å²	106.6	64%	0.636	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	-8.2	-172.9	48.1	0	0	0	0	115.9	I185 T190	I185-S187 PolarHBondContact O-N 2.86Å; S187-T190 PolarHBondContact O-OG1 2.84Å
188	H	41.1	Very low	44.1	Very low	178 Å²	178	99 Å²	99	82%	0.824	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-11.5	178.2	-62.8	-67.3	0	0	0	114.1	A186	A186-H188 PolarHBondContact O-N 3.06Å
189	L	38.5	Very low	45.9	Very low	87 Å²	87	98.2 Å²	98.2	46%	0.455	54%	0.542	S	S	.	.	S	Bend	trans	-93.8	1.2	179.4	-71.7	162.7	0	0	0	113.6	I185 A186 D191	I185-L189 HydrophobicContact CG2-CB 4.39Å; A186-L189 PolarHBondContact O-N 3.14Å; L189-D191 VanDerWaalsContact C-N 3.32Å; L189-D191 PolarHBondContact O-N 3.26Å
190	T	46	Very low	47.8	Very low	61 Å²	61	99.6 Å²	99.6	37%	0.374	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-14.4	-169	1.1	0	0	0	0	115.3	S187 R196	S187-T190 PolarHBondContact O-OG1 2.84Å; T190-R196 PolarHBondContact O-NE 2.97Å; T190-R196 PolarHBondContact O-NH2 3.48Å
191	D	53	Low	49.8	Very low	155 Å²	155	93.4 Å²	93.4	83%	0.829	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-9.6	-168	-78.3	-15.3	0	0	0	116.3	L189 P193	L189-D191 VanDerWaalsContact C-N 3.32Å; L189-D191 PolarHBondContact O-N 3.26Å; D191-P193 VanDerWaalsContact O-CD 3.32Å; D191-P193 WeakPolarHBondContact O-CD 3Å
192	D	55.8	Low	51.8	Low	35 Å²	35	90.3 Å²	90.3	19%	0.187	48%	0.48	C	S	.	.			trans	-97	109.5	178.1	-168.2	-10.3	0	0	0	111.8	I194 Q195 R196 H327	D192-I194 PolarHBondContact O-N 2.8Å; D192-I194 VanDerWaalsContact O-N 3.15Å; D192-I194 WeakPolarHBondContact OD1-CB 3.37Å; D192-I194 PolarHBondContact OD1-N 3.3Å; D192-Q195 HydrophobicContact CB-CB 4.09Å; D192-Q195 HydrophobicContact CB-CG 3.92Å; D192-Q195 PolarHBondContact O-N 3.32Å; D192-Q195 VanDerWaalsContact O-N 3.15Å; D192-R196 PolarHBondContact O-N 3.31Å; D192-R196 VanDerWaalsContact O-N 3.1Å; D192-H327 IonicContact OD2-CD2 3.32Å; D192-H327 PolarHBondContact OD2-CD2 2.93Å; D192-H327 VanDerWaalsContact OD2-CD2 3.32Å
193	P	59.2	Low	53.8	Low	70 Å²	70	90.9 Å²	90.9	46%	0.455	48%	0.479	S	S	.	.	H	α-helix	trans	-59.3	-24.9	176.7	23.6	-32.5	0	0	0	113.1	D191 F197	D191-P193 VanDerWaalsContact O-CD 3.32Å; D191-P193 WeakPolarHBondContact O-CD 3Å; P193-F197 WeakPolarHBondContact O-CB 3.48Å; P193-F197 PolarHBondContact O-N 2.84Å
194	I	57.3	Low	56	Low	23 Å²	23	91.3 Å²	91.3	12%	0.118	47%	0.467	C	S	.	.	H	α-helix	trans	-74.5	-40.5	177.9	-57	173.6	0	0	0	110.4	D192 F197 H198 P325	D192-I194 PolarHBondContact O-N 2.8Å; D192-I194 VanDerWaalsContact O-N 3.15Å; D192-I194 WeakPolarHBondContact OD1-CB 3.37Å; D192-I194 PolarHBondContact OD1-N 3.3Å; I194-F197 WeakPolarHBondContact O-CB 3.3Å; I194-F197 PolarHBondContact O-N 3.29Å; I194-H198 PolarHBondContact O-N 2.81Å; I194-P325 HydrophobicContact CG2-CB 3.77Å
195	Q	63.4	Low	58.3	Low	69 Å²	69	82.3 Å²	82.3	32%	0.322	42%	0.424	S	S	.	.	H	α-helix	trans	-63.8	-42.7	173.3	-71.5	-173.6	-11.5	0	0	111.4	D192 F197 H198 A199 P325	D192-Q195 HydrophobicContact CB-CB 4.09Å; D192-Q195 HydrophobicContact CB-CG 3.92Å; D192-Q195 PolarHBondContact O-N 3.32Å; D192-Q195 VanDerWaalsContact O-N 3.15Å; Q195-F197 VanDerWaalsContact C-N 3.29Å; Q195-F197 PolarHBondContact O-N 2.8Å; Q195-H198 PolarHBondContact O-N 2.88Å; Q195-A199 VanDerWaalsContact O-CB 3.29Å; Q195-A199 WeakPolarHBondContact O-CB 3.4Å; Q195-A199 PolarHBondContact O-N 3.07Å; Q195-P325 HydrophobicContact CB-CG 4.38Å; Q195-P325 HydrophobicContact CG-CB 4.21Å; Q195-P325 HydrophobicContact CG-CG 3.76Å
196	R	62.6	Low	60.5	Low	143 Å²	143	78.1 Å²	78.1	54%	0.54	41%	0.406	S	S	.	.	H	α-helix	trans	-61.2	-38.5	172.9	-69	-172.3	-171.1	-173.5	1.1	112.1	T190 D192 R200	T190-R196 PolarHBondContact O-NE 2.97Å; T190-R196 PolarHBondContact O-NH2 3.48Å; D192-R196 PolarHBondContact O-N 3.31Å; D192-R196 VanDerWaalsContact O-N 3.1Å; R196-R200 WeakPolarHBondContact O-CB 3.32Å; R196-R200 PolarHBondContact O-N 3.49Å; R196-R200 VanDerWaalsContact O-N 3.15Å
197	F	63.1	Low	62.7	Low	6 Å²	6	81.8 Å²	81.8	3%	0.026	41%	0.412	C	S	.	.	H	α-helix	trans	-62.4	-51.9	175.6	174.4	-98.8	0	0	0	111.1	P193 I194 Q195 R200 Y201 L205 T429 H430	P193-F197 WeakPolarHBondContact O-CB 3.48Å; P193-F197 PolarHBondContact O-N 2.84Å; I194-F197 WeakPolarHBondContact O-CB 3.3Å; I194-F197 PolarHBondContact O-N 3.29Å; Q195-F197 VanDerWaalsContact C-N 3.29Å; Q195-F197 PolarHBondContact O-N 2.8Å; F197-R200 PolarHBondContact O-N 3.36Å; F197-Y201 AromaticContact CD2-CD2 3.52Å; F197-Y201 HydrophobicContact CD2-CD2 3.52Å; F197-Y201 HydrophobicContact CD2-CE2 4.36Å; F197-Y201 HydrophobicContact CD2-CG 4.17Å; F197-Y201 AromaticContact CE2-CD2 3.95Å; F197-Y201 HydrophobicContact CE2-CD2 3.95Å; F197-Y201 HydrophobicContact CE2-CG 4.16Å; F197-Y201 HydrophobicContact CG-CD2 4.3Å; F197-Y201 WeakPolarHBondContact O-CA 3.38Å; F197-Y201 WeakPolarHBondContact O-CB 3.34Å; F197-Y201 WeakPolarHBondContact O-CD2 3.36Å; F197-Y201 PolarHBondContact O-N 3.3Å; F197-L205 HydrophobicContact CE1-CD2 4.48Å; F197-T429 WeakPolarHBondContact CZ-O 3.23Å; F197-H430 AromaticContact CD2-CD2 3.93Å; F197-H430 AromaticContact CD2-CE1 3.27Å; F197-H430 WeakPolarHBondContact CD2-CE1 3.21Å; F197-H430 AromaticContact CD2-ND1 3.76Å; F197-H430 AromaticContact CD2-NE2 3.37Å; F197-H430 WeakPolarHBondContact CD2-NE2 3.45Å; F197-H430 AromaticContact CE2-CE1 3.59Å; F197-H430 AromaticContact CE2-CG 3.98Å; F197-H430 AromaticContact CE2-ND1 3.58Å; F197-H430 AromaticContact CE2-NE2 3.97Å
198	H	66	Low	64.7	Low	9 Å²	9	79.1 Å²	79.1	4%	0.042	39%	0.388	C	S	.	.	H	α-helix	trans	-59.4	-51.9	178.3	-99	-103.4	0	0	0	111.7	I194 Q195 R200 Y201 Y202 Q319 P325	I194-H198 PolarHBondContact O-N 2.81Å; Q195-H198 PolarHBondContact O-N 2.88Å; H198-R200 PolarHBondContact O-N 2.79Å; H198-R200 VanDerWaalsContact O-N 3.09Å; H198-Y201 PolarHBondContact O-N 2.86Å; H198-Y202 AromaticContact CE1-CD2 3.49Å; H198-Y202 VanDerWaalsContact CE1-CD2 3.49Å; H198-Y202 WeakPolarHBondContact CE1-CD2 3.41Å; H198-Y202 AromaticContact CE1-CE2 3.81Å; H198-Y202 AromaticContact ND1-CD2 3.34Å; H198-Y202 VanDerWaalsContact ND1-CD2 3.34Å; H198-Y202 WeakPolarHBondContact ND1-CD2 3.48Å; H198-Y202 AromaticContact ND1-CE2 3.98Å; H198-Y202 WeakPolarHBondContact O-CB 3.47Å; H198-Y202 PolarHBondContact O-N 3.42Å; H198-Q319 PolarHBondContact NE2-OE1 2.81Å; H198-P325 HydrophobicContact CB-CB 3.85Å; H198-P325 HydrophobicContact CB-CG 4.04Å; H198-P325 WeakPolarHBondContact CD2-CA 3.41Å; H198-P325 WeakPolarHBondContact NE2-CA 3.3Å
199	A	65.4	Low	66.8	Low	83 Å²	83	70.6 Å²	70.6	69%	0.686	35%	0.349	S	S	*	.	H	α-helix	trans	-59	-27.6	-179.5	0	0	0	0	0	113.4	Q195	Q195-A199 VanDerWaalsContact O-CB 3.29Å; Q195-A199 WeakPolarHBondContact O-CB 3.4Å; Q195-A199 PolarHBondContact O-N 3.07Å
200	R	68.2	Low	68.7	Low	188 Å²	188	69.4 Å²	69.4	71%	0.709	34%	0.342	S	S	*	.	H	α-helix	trans	-102.4	-26.6	-175.7	-166.6	171.7	-172.2	-174.8	3.4	114.6	R196 F197 H198	R196-R200 WeakPolarHBondContact O-CB 3.32Å; R196-R200 PolarHBondContact O-N 3.49Å; R196-R200 VanDerWaalsContact O-N 3.15Å; F197-R200 PolarHBondContact O-N 3.36Å; H198-R200 PolarHBondContact O-N 2.79Å; H198-R200 VanDerWaalsContact O-N 3.09Å
201	Y	70.3	Confident	70.4	Confident	62 Å²	62	69.7 Å²	69.7	24%	0.243	34%	0.338	C	S	.	.	H	α-helix	trans	-133	2.1	-167.5	-54.9	-71.1	0	0	0	113.9	F197 H198 D203 K204 L205 H430	F197-Y201 AromaticContact CD2-CD2 3.52Å; F197-Y201 HydrophobicContact CD2-CD2 3.52Å; F197-Y201 HydrophobicContact CD2-CE2 4.36Å; F197-Y201 HydrophobicContact CD2-CG 4.17Å; F197-Y201 AromaticContact CE2-CD2 3.95Å; F197-Y201 HydrophobicContact CE2-CD2 3.95Å; F197-Y201 HydrophobicContact CE2-CG 4.16Å; F197-Y201 HydrophobicContact CG-CD2 4.3Å; F197-Y201 WeakPolarHBondContact O-CA 3.38Å; F197-Y201 WeakPolarHBondContact O-CB 3.34Å; F197-Y201 WeakPolarHBondContact O-CD2 3.36Å; F197-Y201 PolarHBondContact O-N 3.3Å; H198-Y201 PolarHBondContact O-N 2.86Å; Y201-D203 VanDerWaalsContact C-N 3.27Å; Y201-D203 PolarHBondContact O-N 2.7Å; Y201-K204 HydrophobicContact CD1-CD 4.24Å; Y201-K204 PolarHBondContact O-N 2.9Å; Y201-K204 VanDerWaalsContact O-N 3.11Å; Y201-L205 PolarHBondContact O-N 3.43Å; Y201-H430 AromaticContact CD2-CE1 3.97Å; Y201-H430 AromaticContact CE2-CE1 3.75Å
202	Y	74.8	Confident	71.9	Confident	44 Å²	44	62.4 Å²	62.4	17%	0.173	30%	0.299	C	S	.	.	H	α-helix	trans	-59.5	-38.4	178.5	-175.1	-96.7	0	0	0	112.3	H198 K204 L205 S206 F320	H198-Y202 AromaticContact CE1-CD2 3.49Å; H198-Y202 VanDerWaalsContact CE1-CD2 3.49Å; H198-Y202 WeakPolarHBondContact CE1-CD2 3.41Å; H198-Y202 AromaticContact CE1-CE2 3.81Å; H198-Y202 AromaticContact ND1-CD2 3.34Å; H198-Y202 VanDerWaalsContact ND1-CD2 3.34Å; H198-Y202 WeakPolarHBondContact ND1-CD2 3.48Å; H198-Y202 AromaticContact ND1-CE2 3.98Å; H198-Y202 WeakPolarHBondContact O-CB 3.47Å; H198-Y202 PolarHBondContact O-N 3.42Å; Y202-K204 VanDerWaalsContact C-N 3.3Å; Y202-K204 PolarHBondContact O-N 2.93Å; Y202-L205 HydrophobicContact CD2-CD2 4.19Å; Y202-L205 HydrophobicContact CE2-CD2 4.46Å; Y202-L205 CarbonylContact O-C 3.5Å; Y202-L205 WeakPolarHBondContact O-CB 3.5Å; Y202-L205 PolarHBondContact O-N 3.49Å; Y202-L205 VanDerWaalsContact O-N 3.15Å; Y202-S206 WeakPolarHBondContact O-CB 3.32Å; Y202-S206 PolarHBondContact O-N 2.74Å; Y202-F320 PolarHBondContact OH-O 3.06Å
203	D	73.4	Confident	73	Confident	122 Å²	122	62.9 Å²	62.9	65%	0.652	30%	0.298	S	S	*	.	H	α-helix	trans	-61.4	-40.1	176.1	-63.8	-29.4	0	0	0	112	Y201 S206 Q207	Y201-D203 VanDerWaalsContact C-N 3.27Å; Y201-D203 PolarHBondContact O-N 2.7Å; D203-S206 PolarHBondContact O-N 2.82Å; D203-Q207 VanDerWaalsContact O-CG 3.29Å; D203-Q207 WeakPolarHBondContact O-CG 3.27Å; D203-Q207 PolarHBondContact O-N 3.35Å
204	K	79	Confident	73.7	Confident	127 Å²	127	62.8 Å²	62.8	55%	0.552	29%	0.294	S	S	*	.	H	α-helix	trans	-68.2	-40	174.7	-65.1	-172.1	-175.9	178.1	0	111.9	Y201 Y202 S206 Y208	Y201-K204 HydrophobicContact CD1-CD 4.24Å; Y201-K204 PolarHBondContact O-N 2.9Å; Y201-K204 VanDerWaalsContact O-N 3.11Å; Y202-K204 VanDerWaalsContact C-N 3.3Å; Y202-K204 PolarHBondContact O-N 2.93Å; K204-S206 VanDerWaalsContact C-N 3.34Å; K204-Y208 VanDerWaalsContact O-CB 3.27Å; K204-Y208 WeakPolarHBondContact O-CB 3.4Å; K204-Y208 PolarHBondContact O-N 2.79Å
205	L	80.2	Confident	74.5	Confident	0 Å²	0	68 Å²	68	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.2	-46.2	173.4	176	65.5	0	0	0	110.9	F197 Y201 Y202 Y208 M209 L316 Q319 F320 Y432	F197-L205 HydrophobicContact CE1-CD2 4.48Å; Y201-L205 PolarHBondContact O-N 3.43Å; Y202-L205 HydrophobicContact CD2-CD2 4.19Å; Y202-L205 HydrophobicContact CE2-CD2 4.46Å; Y202-L205 CarbonylContact O-C 3.5Å; Y202-L205 WeakPolarHBondContact O-CB 3.5Å; Y202-L205 PolarHBondContact O-N 3.49Å; Y202-L205 VanDerWaalsContact O-N 3.15Å; L205-Y208 PolarHBondContact O-N 3.14Å; L205-M209 HydrophobicContact CD1-CG 3.93Å; L205-M209 HydrophobicContact CG-CG 4.39Å; L205-M209 WeakPolarHBondContact O-CB 3.33Å; L205-M209 WeakPolarHBondContact O-CG 3.05Å; L205-M209 PolarHBondContact O-N 2.81Å; L205-L316 HydrophobicContact CD1-CB 3.94Å; L205-L316 HydrophobicContact CD1-CD2 3.64Å; L205-L316 HydrophobicContact CD1-CG 4.33Å; L205-Q319 HydrophobicContact CD2-CB 3.86Å; L205-F320 HydrophobicContact CD2-CB 4.45Å; L205-F320 HydrophobicContact CG-CB 4.49Å; L205-Y432 WeakPolarHBondContact CA-OH 3.49Å; L205-Y432 HydrophobicContact CD1-CE1 3.97Å; L205-Y432 PolarHBondContact N-OH 2.83Å
206	S	79.7	Confident	75.4	Confident	27 Å²	27	65 Å²	65	19%	0.189	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-51.2	178.6	-178.9	0	0	0	0	111	Y202 D203 K204 Y208 M209 M210	Y202-S206 WeakPolarHBondContact O-CB 3.32Å; Y202-S206 PolarHBondContact O-N 2.74Å; D203-S206 PolarHBondContact O-N 2.82Å; K204-S206 VanDerWaalsContact C-N 3.34Å; S206-Y208 VanDerWaalsContact C-N 3.3Å; S206-Y208 PolarHBondContact O-N 2.73Å; S206-M209 PolarHBondContact O-N 2.82Å; S206-M210 WeakPolarHBondContact O-CB 3.34Å; S206-M210 WeakPolarHBondContact O-CG 3.4Å; S206-M210 PolarHBondContact O-N 3.04Å
207	Q	78.8	Confident	76.4	Confident	137 Å²	137	58.3 Å²	58.3	64%	0.64	27%	0.274	S	S	*	.	H	α-helix	trans	-56.8	-44.1	175.2	-72.3	173.2	16.3	0	0	112.1	D203 F211	D203-Q207 VanDerWaalsContact O-CG 3.29Å; D203-Q207 WeakPolarHBondContact O-CG 3.27Å; D203-Q207 PolarHBondContact O-N 3.35Å; Q207-F211 WeakPolarHBondContact O-CB 3.09Å; Q207-F211 PolarHBondContact O-N 3.35Å
208	Y	83.2	Confident	77.4	Confident	35 Å²	35	59.3 Å²	59.3	14%	0.137	28%	0.28	C	S	.	.	H	α-helix	trans	-66	-46.1	178.4	178.9	-93.4	0	0	0	112.3	K204 L205 S206 M210 F211 V212 L313 L316 Y432 P433 L438	K204-Y208 VanDerWaalsContact O-CB 3.27Å; K204-Y208 WeakPolarHBondContact O-CB 3.4Å; K204-Y208 PolarHBondContact O-N 2.79Å; L205-Y208 PolarHBondContact O-N 3.14Å; S206-Y208 VanDerWaalsContact C-N 3.3Å; S206-Y208 PolarHBondContact O-N 2.73Å; Y208-M210 VanDerWaalsContact C-N 3.34Å; Y208-M210 PolarHBondContact O-N 3.25Å; Y208-F211 CarbonylContact O-C 3.56Å; Y208-F211 WeakPolarHBondContact O-CB 3.3Å; Y208-F211 PolarHBondContact O-N 3.1Å; Y208-V212 HydrophobicContact CD1-CG2 3.91Å; Y208-V212 HydrophobicContact CE1-CG2 3.39Å; Y208-V212 HydrophobicContact CE2-CG2 4.14Å; Y208-V212 HydrophobicContact CG-CG2 4.49Å; Y208-V212 WeakPolarHBondContact O-CG2 3.28Å; Y208-V212 PolarHBondContact O-N 2.96Å; Y208-L313 HydrophobicContact CE1-CD2 4.04Å; Y208-L316 HydrophobicContact CD1-CD1 4.43Å; Y208-L316 HydrophobicContact CE1-CD1 3.97Å; Y208-Y432 AromaticContact CD1-CD1 3.44Å; Y208-Y432 HydrophobicContact CD1-CD1 3.44Å; Y208-Y432 VanDerWaalsContact CD1-CD1 3.44Å; Y208-Y432 AromaticContact CD1-CE1 3.88Å; Y208-Y432 HydrophobicContact CD1-CE1 3.88Å; Y208-Y432 AromaticContact CD2-CD1 3.86Å; Y208-Y432 HydrophobicContact CD2-CD1 3.86Å; Y208-Y432 HydrophobicContact CD2-CG 4.41Å; Y208-Y432 AromaticContact CE1-CD1 3.8Å; Y208-Y432 HydrophobicContact CE1-CD1 3.8Å; Y208-Y432 HydrophobicContact CE2-CD1 4.2Å; Y208-Y432 AromaticContact CG-CD1 3.46Å; Y208-Y432 HydrophobicContact CG-CD1 3.46Å; Y208-Y432 VanDerWaalsContact CG-CD1 3.46Å; Y208-Y432 AromaticContact CG-CE1 3.87Å; Y208-Y432 HydrophobicContact CG-CE1 3.87Å; Y208-Y432 HydrophobicContact CG-CG 4.42Å; Y208-P433 VanDerWaalsContact OH-CD 3.29Å; Y208-P433 WeakPolarHBondContact OH-CD 3.22Å; Y208-P433 PolarHBondContact OH-O 3.27Å; Y208-L438 HydrophobicContact CE2-CD1 4.29Å
209	M	84.1	Confident	78.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-69.5	-33	-179.9	-70.1	-44.6	-63.4	0	0	112.1	L205 S206 V212 R213 L316 E317 F320	L205-M209 HydrophobicContact CD1-CG 3.93Å; L205-M209 HydrophobicContact CG-CG 4.39Å; L205-M209 WeakPolarHBondContact O-CB 3.33Å; L205-M209 WeakPolarHBondContact O-CG 3.05Å; L205-M209 PolarHBondContact O-N 2.81Å; S206-M209 PolarHBondContact O-N 2.82Å; M209-V212 HydrophobicContact CE-CB 4.45Å; M209-V212 HydrophobicContact CE-CG1 4.42Å; M209-V212 PolarHBondContact O-N 3.47Å; M209-R213 VanDerWaalsContact O-CB 3.32Å; M209-R213 WeakPolarHBondContact O-CB 3.47Å; M209-R213 VanDerWaalsContact O-CG 3.3Å; M209-R213 WeakPolarHBondContact O-CG 3.42Å; M209-R213 PolarHBondContact O-N 3.32Å; M209-L316 HydrophobicContact SD-CB 3.79Å; M209-E317 HydrophobicContact CE-CB 3.87Å; M209-E317 HydrophobicContact CE-CG 4.46Å; M209-E317 WeakPolarHBondContact CE-OE2 3.36Å; M209-F320 HydrophobicContact CB-CB 4.27Å; M209-F320 HydrophobicContact CB-CD1 3.92Å; M209-F320 HydrophobicContact CB-CD2 4.09Å; M209-F320 HydrophobicContact CB-CE1 4.28Å; M209-F320 HydrophobicContact CB-CE2 4.43Å; M209-F320 HydrophobicContact CB-CG 3.82Å; M209-F320 HydrophobicContact CG-CB 3.87Å; M209-F320 HydrophobicContact CG-CD1 4.4Å; M209-F320 HydrophobicContact CG-CD2 4.47Å; M209-F320 HydrophobicContact CG-CG 4.01Å
210	M	80.1	Confident	79.1	Confident	62 Å²	62	57.1 Å²	57.1	31%	0.305	26%	0.256	S	S	.	.	H	α-helix	trans	-62.2	-45.1	169.1	-72.2	-60.6	-62.4	0	0	111.2	S206 Y208 N214 F320	S206-M210 WeakPolarHBondContact O-CB 3.34Å; S206-M210 WeakPolarHBondContact O-CG 3.4Å; S206-M210 PolarHBondContact O-N 3.04Å; Y208-M210 VanDerWaalsContact C-N 3.34Å; Y208-M210 PolarHBondContact O-N 3.25Å; M210-N214 PolarHBondContact O-N 2.54Å; M210-N214 VanDerWaalsContact O-N 3.12Å; M210-N214 PolarHBondContact O-ND2 3.34Å; M210-N214 PolarHBondContact O-OD1 3.23Å; M210-F320 HydrophobicContact SD-CZ 4.26Å
211	F	81	Confident	79.8	Confident	66 Å²	66	48.1 Å²	48.1	29%	0.289	22%	0.222	S	C	.	.	H	α-helix	trans	-58.6	-51.3	172.6	171.7	-95.1	0	0	0	111.3	Q207 Y208 R213 N214 Y215 F435 L438	Q207-F211 WeakPolarHBondContact O-CB 3.09Å; Q207-F211 PolarHBondContact O-N 3.35Å; Y208-F211 CarbonylContact O-C 3.56Å; Y208-F211 WeakPolarHBondContact O-CB 3.3Å; Y208-F211 PolarHBondContact O-N 3.1Å; F211-R213 PolarHBondContact O-N 2.99Å; F211-N214 WeakPolarHBondContact O-CB 3.2Å; F211-N214 PolarHBondContact O-N 3.12Å; F211-N214 VanDerWaalsContact O-N 3.13Å; F211-Y215 HydrophobicContact CD2-CD2 4.11Å; F211-Y215 AromaticContact CD2-CE2 3.67Å; F211-Y215 HydrophobicContact CD2-CE2 3.67Å; F211-Y215 HydrophobicContact CE1-CD2 4.44Å; F211-Y215 AromaticContact CE2-CD2 3.75Å; F211-Y215 HydrophobicContact CE2-CD2 3.75Å; F211-Y215 AromaticContact CE2-CE2 3.31Å; F211-Y215 HydrophobicContact CE2-CE2 3.31Å; F211-Y215 AromaticContact CZ-CD2 3.91Å; F211-Y215 HydrophobicContact CZ-CD2 3.91Å; F211-Y215 AromaticContact CZ-CE2 3.91Å; F211-Y215 HydrophobicContact CZ-CE2 3.91Å; F211-Y215 WeakPolarHBondContact O-CD2 2.91Å; F211-F435 HydrophobicContact CE1-CD1 4.16Å; F211-F435 AromaticContact CE1-CE1 3.65Å; F211-F435 HydrophobicContact CE1-CE1 3.65Å; F211-F435 HydrophobicContact CE1-CZ 4.45Å; F211-F435 HydrophobicContact CE2-CE1 4.02Å; F211-F435 AromaticContact CZ-CD1 3.98Å; F211-F435 HydrophobicContact CZ-CD1 3.98Å; F211-F435 AromaticContact CZ-CE1 3.37Å; F211-F435 HydrophobicContact CZ-CE1 3.37Å; F211-F435 HydrophobicContact CZ-CZ 4.37Å; F211-L438 HydrophobicContact CD1-CD1 4.37Å; F211-L438 HydrophobicContact CE1-CD1 3.79Å
212	V	83.1	Confident	80.5	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-58.9	-49.3	-179.5	171.6	0	0	0	0	111.2	Y208 M209 N214 Y215 L216 I218 L313 L438	Y208-V212 HydrophobicContact CD1-CG2 3.91Å; Y208-V212 HydrophobicContact CE1-CG2 3.39Å; Y208-V212 HydrophobicContact CE2-CG2 4.14Å; Y208-V212 HydrophobicContact CG-CG2 4.49Å; Y208-V212 WeakPolarHBondContact O-CG2 3.28Å; Y208-V212 PolarHBondContact O-N 2.96Å; M209-V212 HydrophobicContact CE-CB 4.45Å; M209-V212 HydrophobicContact CE-CG1 4.42Å; M209-V212 PolarHBondContact O-N 3.47Å; V212-N214 PolarHBondContact O-N 3Å; V212-Y215 PolarHBondContact O-N 3.11Å; V212-L216 HydrophobicContact CG1-CB 3.99Å; V212-L216 HydrophobicContact CG1-CD2 4.13Å; V212-L216 WeakPolarHBondContact O-CB 3.24Å; V212-L216 PolarHBondContact O-N 3.45Å; V212-I218 HydrophobicContact CG1-CD1 4.17Å; V212-L313 HydrophobicContact CG1-CD2 4.18Å; V212-L313 HydrophobicContact CG2-CD2 4.18Å; V212-L438 HydrophobicContact CG2-CD1 4.24Å; V212-L438 HydrophobicContact CG2-CD2 4.21Å
213	R	79.5	Confident	81	Confident	46 Å²	46	43.4 Å²	43.4	17%	0.174	21%	0.205	C	C	.	.	H	α-helix	trans	-59.7	-29.3	179.6	-75.8	176.2	169.3	-154.9	-0.3	112.2	M209 F211 Y215 I218 E317 V468	M209-R213 VanDerWaalsContact O-CB 3.32Å; M209-R213 WeakPolarHBondContact O-CB 3.47Å; M209-R213 VanDerWaalsContact O-CG 3.3Å; M209-R213 WeakPolarHBondContact O-CG 3.42Å; M209-R213 PolarHBondContact O-N 3.32Å; F211-R213 PolarHBondContact O-N 2.99Å; R213-Y215 PolarHBondContact O-N 2.95Å; R213-I218 HydrophobicContact CG-CG1 4.47Å; R213-E317 IonicContact CZ-OE1 2.75Å; R213-E317 IonicContact CZ-OE2 3.37Å; R213-E317 IonicContact NE-OE1 3.62Å; R213-E317 PolarHBondContact NE-OE1 2.69Å; R213-E317 IonicContact NE-OE2 3.79Å; R213-E317 PolarHBondContact NE-OE2 2.98Å; R213-E317 IonicContact NH2-OE1 3.64Å; R213-E317 PolarHBondContact NH2-OE1 3.43Å; R213-E317 IonicContact NH2-OE2 2.64Å; R213-V468 WeakPolarHBondContact O-CB 3.39Å
214	N	74.3	Confident	81.4	Confident	68 Å²	68	37.6 Å²	37.6	36%	0.364	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.7	176.9	-70.9	-13.8	0	0	0	114.4	M210 F211 V212 M456 V468	M210-N214 PolarHBondContact O-N 2.54Å; M210-N214 VanDerWaalsContact O-N 3.12Å; M210-N214 PolarHBondContact O-ND2 3.34Å; M210-N214 PolarHBondContact O-OD1 3.23Å; F211-N214 WeakPolarHBondContact O-CB 3.2Å; F211-N214 PolarHBondContact O-N 3.12Å; F211-N214 VanDerWaalsContact O-N 3.13Å; V212-N214 PolarHBondContact O-N 3Å; N214-M456 WeakPolarHBondContact O-CE 3.39Å; N214-V468 HydrophobicContact CB-CG2 4.47Å
215	Y	73.6	Confident	81.6	Confident	132 Å²	132	34.9 Å²	34.9	52%	0.518	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-31.4	-176	-63.3	-79.9	0	0	0	113.5	F211 V212 R213 L442	F211-Y215 HydrophobicContact CD2-CD2 4.11Å; F211-Y215 AromaticContact CD2-CE2 3.67Å; F211-Y215 HydrophobicContact CD2-CE2 3.67Å; F211-Y215 HydrophobicContact CE1-CD2 4.44Å; F211-Y215 AromaticContact CE2-CD2 3.75Å; F211-Y215 HydrophobicContact CE2-CD2 3.75Å; F211-Y215 AromaticContact CE2-CE2 3.31Å; F211-Y215 HydrophobicContact CE2-CE2 3.31Å; F211-Y215 AromaticContact CZ-CD2 3.91Å; F211-Y215 HydrophobicContact CZ-CD2 3.91Å; F211-Y215 AromaticContact CZ-CE2 3.91Å; F211-Y215 HydrophobicContact CZ-CE2 3.91Å; F211-Y215 WeakPolarHBondContact O-CD2 2.91Å; V212-Y215 PolarHBondContact O-N 3.11Å; R213-Y215 PolarHBondContact O-N 2.95Å; Y215-L442 VanDerWaalsContact O-CD2 3.29Å; Y215-L442 WeakPolarHBondContact O-CD2 3.36Å
216	L	82.5	Confident	81.4	Confident	5 Å²	5	37 Å²	37	3%	0.026	17%	0.172	C	C	.	.	S	Bend	trans	-119.3	124.8	-169.9	-165.4	77.1	0	0	0	110.2	V212 W310 L313 L441 L442 L445	V212-L216 HydrophobicContact CG1-CB 3.99Å; V212-L216 HydrophobicContact CG1-CD2 4.13Å; V212-L216 WeakPolarHBondContact O-CB 3.24Å; V212-L216 PolarHBondContact O-N 3.45Å; L216-W310 HydrophobicContact CD1-CH2 4.15Å; L216-W310 HydrophobicContact CD2-CH2 3.83Å; L216-W310 HydrophobicContact CD2-CZ3 3.97Å; L216-W310 HydrophobicContact CG-CH2 3.99Å; L216-W310 HydrophobicContact CG-CZ3 4.48Å; L216-L313 HydrophobicContact CD2-CD1 3.46Å; L216-L313 VanDerWaalsContact CD2-CD1 3.46Å; L216-L441 HydrophobicContact CD1-CB 4.13Å; L216-L441 HydrophobicContact CD2-CB 4.49Å; L216-L441 HydrophobicContact CD2-CD1 4.13Å; L216-L442 HydrophobicContact CD1-CD2 3.67Å; L216-L442 HydrophobicContact CD1-CG 4.01Å; L216-L445 HydrophobicContact CD1-CD1 3.61Å; L216-L445 HydrophobicContact CG-CD1 4.48Å
217	P	83.7	Confident	80.7	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.019	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-66.1	143.4	169.9	31.7	-38.2	0	0	0	110.1	F280 L445 Y450 W470	P217-F280 HydrophobicContact CB-CD1 4.15Å; P217-F280 HydrophobicContact CB-CE1 4.04Å; P217-F280 HydrophobicContact CG-CD1 4.38Å; P217-F280 HydrophobicContact CG-CE1 3.95Å; P217-L445 HydrophobicContact CG-CD1 3.49Å; P217-L445 VanDerWaalsContact CG-CD1 3.49Å; P217-Y450 HydrophobicContact CB-CE1 3.91Å; P217-Y450 VanDerWaalsContact CB-OH 3.27Å; P217-Y450 WeakPolarHBondContact CB-OH 3.4Å; P217-Y450 HydrophobicContact CG-CD1 4.11Å; P217-Y450 HydrophobicContact CG-CE1 3.49Å; P217-Y450 VanDerWaalsContact CG-CE1 3.49Å; P217-Y450 HydrophobicContact CG-CE2 4.32Å; P217-W470 HydrophobicContact CB-CD2 4.3Å; P217-W470 HydrophobicContact CB-CG 4.06Å
218	I	83.9	Confident	80.1	Confident	28 Å²	28	38 Å²	38	14%	0.144	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-99.5	129.4	171.9	-52.2	-60.7	0	0	0	108.7	V212 R213 F237 L314 E317	V212-I218 HydrophobicContact CG1-CD1 4.17Å; R213-I218 HydrophobicContact CG-CG1 4.47Å; I218-F237 HydrophobicContact CB-CE2 4.34Å; I218-F237 HydrophobicContact CB-CZ 4.33Å; I218-F237 HydrophobicContact CG2-CE2 3.74Å; I218-F237 HydrophobicContact CG2-CZ 3.69Å; I218-L314 HydrophobicContact CG2-CD2 3.75Å; I218-E317 HydrophobicContact CG2-CG 4.09Å
219	P	86.3	Confident	79.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-65.9	147.5	178.3	27.4	-34	0	0	0	110.8	I222 I236 F237 L278 H279 F280 W310 L314	P219-I222 HydrophobicContact CG-CG2 4.43Å; P219-I236 HydrophobicContact CG-CD1 4.24Å; P219-I236 VanDerWaalsContact O-CD1 3.28Å; P219-I236 WeakPolarHBondContact O-CD1 3.4Å; P219-F237 WeakPolarHBondContact O-CE2 3.42Å; P219-L278 HydrophobicContact CB-CB 4.15Å; P219-L278 HydrophobicContact CG-CB 4.4Å; P219-L278 HydrophobicContact CG-CD2 4.3Å; P219-H279 CarbonylContact C-O 3.5Å; P219-H279 WeakPolarHBondContact CA-O 3.44Å; P219-H279 WeakPolarHBondContact CB-O 3.23Å; P219-F280 HydrophobicContact CB-CD1 4.04Å; P219-F280 HydrophobicContact CB-CE1 3.81Å; P219-F280 HydrophobicContact CB-CG 4.49Å; P219-F280 HydrophobicContact CB-CZ 4.06Å; P219-F280 HydrophobicContact CG-CE1 4.31Å; P219-F280 HydrophobicContact CG-CZ 4.46Å; P219-W310 HydrophobicContact CG-CE3 4.48Å; P219-W310 HydrophobicContact CG-CZ3 4.41Å; P219-L314 HydrophobicContact CG-CD1 4.44Å; P219-L314 HydrophobicContact CG-CD2 3.93Å
220	I	81.1	Confident	78.6	Confident	45 Å²	45	39.5 Å²	39.5	23%	0.231	20%	0.202	C	C	.	.	S	Bend	trans	-82.1	-24.3	178.2	60.8	147.9	0	0	0	112.3	I236 H279 A281 G293	I220-I236 PolarHBondContact O-N 3.04Å; I220-H279 WeakPolarHBondContact CG1-O 3.3Å; I220-H279 PolarHBondContact N-O 3.08Å; I220-A281 HydrophobicContact CD1-CB 3.37Å; I220-A281 HydrophobicContact CG1-CB 3.8Å; I220-A281 HydrophobicContact CG2-CB 4.17Å; I220-G293 WeakPolarHBondContact CD1-O 3.24Å
221	A	82.7	Confident	78.4	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	160.5	178.7	0	0	0	0	0	110.9	A234 Y235 H279	A221-A234 CarbonylContact C-O 3.56Å; A221-A234 WeakPolarHBondContact CA-O 3.03Å; A221-A234 VanDerWaalsContact CB-O 3.27Å; A221-A234 WeakPolarHBondContact CB-O 3.46Å; A221-Y235 HydrophobicContact CB-CD1 3.67Å; A221-Y235 HydrophobicContact CB-CE1 3.95Å; A221-Y235 HydrophobicContact CB-CG 4.14Å; A221-H279 HydrophobicContact CB-CB 4Å; A221-H279 PolarHBondContact N-O 2.75Å; A221-H279 WeakPolarHBondContact O-CB 3.2Å; A221-H279 PolarHBondContact O-N 3.02Å
222	I	85.8	Confident	78.2	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	150.1	172.9	55.7	174.3	0	0	0	110.5	P219 S233 A234 I236 L276 I277 L278 M311 L314 L336 L339	P219-I222 HydrophobicContact CG-CG2 4.43Å; I222-S233 CarbonylContact O-C 3.55Å; I222-S233 WeakPolarHBondContact O-CA 3.23Å; I222-A234 HydrophobicContact CG1-CB 4.07Å; I222-A234 PolarHBondContact N-O 3.44Å; I222-A234 PolarHBondContact O-N 2.81Å; I222-I236 HydrophobicContact CG2-CD1 4.13Å; I222-L276 HydrophobicContact CB-CD1 3.94Å; I222-L276 HydrophobicContact CD1-CD1 4.29Å; I222-L276 HydrophobicContact CG2-CD1 4.3Å; I222-I277 CarbonylContact C-O 3.57Å; I222-I277 VanDerWaalsContact CA-O 3.25Å; I222-I277 WeakPolarHBondContact CA-O 3.39Å; I222-L278 HydrophobicContact CG2-CD2 3.77Å; I222-M311 HydrophobicContact CD1-SD 3.79Å; I222-L314 HydrophobicContact CD1-CD1 4.03Å; I222-L314 HydrophobicContact CG2-CD1 3.59Å; I222-L336 HydrophobicContact CD1-CD2 3.79Å; I222-L339 HydrophobicContact CD1-CD1 3.46Å; I222-L339 VanDerWaalsContact CD1-CD1 3.46Å; I222-L339 HydrophobicContact CG1-CD1 3.86Å
223	T	84.4	Confident	77.9	Confident	7 Å²	7	39.1 Å²	39.1	4%	0.043	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130	174.1	-58.1	0	0	0	0	109.1	T231 V232 S233 I277 H279 Q296	T223-T231 HydrophobicContact CG2-CG2 4.37Å; T223-V232 CarbonylContact C-O 3.54Å; T223-V232 WeakPolarHBondContact CA-O 3.27Å; T223-S233 WeakPolarHBondContact CG2-OG 3.3Å; T223-S233 PolarHBondContact OG1-OG 2.77Å; T223-I277 PolarHBondContact N-O 2.71Å; T223-I277 PolarHBondContact O-N 2.81Å; T223-H279 VanDerWaalsContact CB-NE2 3.33Å; T223-H279 WeakPolarHBondContact CB-NE2 3.36Å; T223-H279 PolarHBondContact OG1-CD2 3.26Å; T223-H279 PolarHBondContact OG1-NE2 2.79Å; T223-Q296 PolarHBondContact OG1-NE2 3.27Å
224	V	83.5	Confident	77.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	113.6	169.8	174.6	0	0	0	0	108.1	T231 V232 S275 L276 L339 E342 L343	V224-T231 CarbonylContact O-C 3.47Å; V224-T231 WeakPolarHBondContact O-CA 3.32Å; V224-V232 PolarHBondContact N-O 2.99Å; V224-V232 PolarHBondContact O-N 3.04Å; V224-S275 WeakPolarHBondContact CA-O 3.48Å; V224-L276 HydrophobicContact CG2-CD1 3.91Å; V224-L339 HydrophobicContact CB-CD2 3.98Å; V224-L339 HydrophobicContact CG2-CB 3.93Å; V224-L339 HydrophobicContact CG2-CD2 3.68Å; V224-L339 HydrophobicContact CG2-CG 4.27Å; V224-E342 HydrophobicContact CG1-CB 4.26Å; V224-L343 HydrophobicContact CG1-CD2 3.96Å; V224-L343 HydrophobicContact CG1-CG 4.21Å; V224-L343 HydrophobicContact CG2-CD1 4.05Å; V224-L343 HydrophobicContact CG2-CD2 4.14Å; V224-L343 HydrophobicContact CG2-CG 3.97Å
225	E	81.4	Confident	77.4	Confident	69 Å²	69	36.8 Å²	36.8	32%	0.322	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	113.1	170.2	-177.1	-170.4	-163.7	0	0	107.7	T231 S274 S275 I277 K303	E225-T231 HydrophobicContact CB-CG2 4.38Å; E225-T231 HydrophobicContact CG-CG2 4.34Å; E225-S274 CarbonylContact O-C 3.58Å; E225-S274 WeakPolarHBondContact O-CA 3.44Å; E225-S275 PolarHBondContact N-O 2.85Å; E225-S275 PolarHBondContact O-N 2.76Å; E225-S275 PolarHBondContact OE2-OG 3.03Å; E225-I277 HydrophobicContact CB-CD1 4.33Å; E225-K303 IonicContact OE2-NZ 3.6Å; E225-K303 PolarHBondContact OE2-NZ 2.85Å
226	K	76	Confident	77.2	Confident	45 Å²	45	31.6 Å²	31.6	20%	0.196	18%	0.179	C	C	.	.			trans	-78.1	157.6	179.7	-57	-164.1	-168.2	-163.9	0	110.8	Q228 G229 S230 E342	K226-Q228 PolarHBondContact O-N 3.48Å; K226-Q228 VanDerWaalsContact O-N 3.07Å; K226-G229 PolarHBondContact O-N 2.92Å; K226-S230 WeakPolarHBondContact CB-O 3.4Å; K226-S230 WeakPolarHBondContact CD-OG 3.34Å; K226-S230 WeakPolarHBondContact CG-O 3.27Å; K226-S230 PolarHBondContact N-O 2.79Å; K226-E342 WeakPolarHBondContact CD-OE2 3.42Å; K226-E342 WeakPolarHBondContact CE-OE2 3.39Å; K226-E342 IonicContact NZ-OE1 3.99Å; K226-E342 IonicContact NZ-OE2 2.75Å; K226-E342 PolarHBondContact NZ-OE2 3.07Å
227	S	65.7	Low	76.2	Confident	46 Å²	46	34.3 Å²	34.3	32%	0.322	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-28.4	173.2	54.2	0	0	0	0	114.7	G229 I272 E346	S227-G229 VanDerWaalsContact C-N 3.29Å; S227-G229 PolarHBondContact O-N 2.83Å; S227-I272 WeakPolarHBondContact CB-O 3.26Å; S227-E346 WeakPolarHBondContact CB-OE1 3.36Å; S227-E346 PolarHBondContact OG-OE1 3.03Å
228	Q	66.1	Low	74.5	Confident	139 Å²	139	37.5 Å²	37.5	65%	0.65	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	2.2	178.7	-62.4	179.4	-2.9	0	0	113.8	K226 S230	K226-Q228 PolarHBondContact O-N 3.48Å; K226-Q228 VanDerWaalsContact O-N 3.07Å; Q228-S230 VanDerWaalsContact C-N 3.29Å; Q228-S230 PolarHBondContact O-N 3.03Å
229	G	65.2	Low	72.6	Confident	51 Å²	51	45.7 Å²	45.7	53%	0.526	24%	0.239	S	C	.	.	S	Bend	trans	85.1	-11.5	-178.3	0	0	0	0	0	114.8	K226 S227	K226-G229 PolarHBondContact O-N 2.92Å; S227-G229 VanDerWaalsContact C-N 3.29Å; S227-G229 PolarHBondContact O-N 2.83Å
230	S	71.5	Confident	70.2	Confident	16 Å²	16	50.7 Å²	50.7	11%	0.112	27%	0.266	C	S	.	.			trans	-68.1	143.6	172	51.7	0	0	0	0	110.9	K226 Q228	K226-S230 WeakPolarHBondContact CB-O 3.4Å; K226-S230 WeakPolarHBondContact CD-OG 3.34Å; K226-S230 WeakPolarHBondContact CG-O 3.27Å; K226-S230 PolarHBondContact N-O 2.79Å; Q228-S230 VanDerWaalsContact C-N 3.29Å; Q228-S230 PolarHBondContact O-N 3.03Å
231	T	76.1	Confident	68	Low	66 Å²	66	50.3 Å²	50.3	41%	0.405	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.4	-179.8	60.5	0	0	0	0	110.4	T223 V224 E225	T223-T231 HydrophobicContact CG2-CG2 4.37Å; V224-T231 CarbonylContact O-C 3.47Å; V224-T231 WeakPolarHBondContact O-CA 3.32Å; E225-T231 HydrophobicContact CB-CG2 4.38Å; E225-T231 HydrophobicContact CG-CG2 4.34Å
232	V	75.9	Confident	65.6	Low	22 Å²	22	56.1 Å²	56.1	13%	0.133	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	115	175.3	-173.1	0	0	0	0	109.2	T223 V224 L252 L339	T223-V232 CarbonylContact C-O 3.54Å; T223-V232 WeakPolarHBondContact CA-O 3.27Å; V224-V232 PolarHBondContact N-O 2.99Å; V224-V232 PolarHBondContact O-N 3.04Å; V232-L252 HydrophobicContact CG1-CD2 4.2Å; V232-L252 HydrophobicContact CG2-CD2 4.07Å; V232-L339 HydrophobicContact CB-CD2 3.89Å; V232-L339 HydrophobicContact CG1-CD2 3.69Å
233	S	76.4	Confident	63	Low	33 Å²	33	60.2 Å²	60.2	23%	0.231	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	148	-172.8	-70.4	0	0	0	0	112.7	I222 T223 Q296	I222-S233 CarbonylContact O-C 3.55Å; I222-S233 WeakPolarHBondContact O-CA 3.23Å; T223-S233 WeakPolarHBondContact CG2-OG 3.3Å; T223-S233 PolarHBondContact OG1-OG 2.77Å; S233-Q296 VanDerWaalsContact CB-OE1 3.26Å; S233-Q296 PolarHBondContact OG-NE2 3.01Å; S233-Q296 VanDerWaalsContact OG-NE2 3.15Å; S233-Q296 PolarHBondContact OG-OE1 3.25Å
234	A	73.3	Confident	60.5	Low	4 Å²	4	63.5 Å²	63.5	3%	0.033	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	131.3	-179.9	0	0	0	0	0	113	A221 I222 L335 L339	A221-A234 CarbonylContact C-O 3.56Å; A221-A234 WeakPolarHBondContact CA-O 3.03Å; A221-A234 VanDerWaalsContact CB-O 3.27Å; A221-A234 WeakPolarHBondContact CB-O 3.46Å; I222-A234 HydrophobicContact CG1-CB 4.07Å; I222-A234 PolarHBondContact N-O 3.44Å; I222-A234 PolarHBondContact O-N 2.81Å; A234-L335 HydrophobicContact CB-CD1 3.74Å; A234-L335 HydrophobicContact CB-CD2 3.17Å; A234-L335 HydrophobicContact CB-CG 3.86Å; A234-L339 HydrophobicContact CB-CD1 3.82Å
235	Y	71.6	Confident	58.1	Low	62 Å²	62	65.2 Å²	65.2	24%	0.243	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	140	168.7	-68.9	-89.8	0	0	0	110.5	A221 Q296	A221-Y235 HydrophobicContact CB-CD1 3.67Å; A221-Y235 HydrophobicContact CB-CE1 3.95Å; A221-Y235 HydrophobicContact CB-CG 4.14Å; Y235-Q296 HydrophobicContact CE1-CG 4.5Å; Y235-Q296 HydrophobicContact CE2-CG 4.39Å; Y235-Q296 WeakPolarHBondContact OH-CG 3.4Å; Y235-Q296 PolarHBondContact OH-N 2.81Å
236	I	68.1	Low	55.7	Low	23 Å²	23	70.4 Å²	70.4	12%	0.118	36%	0.364	C	S	.	.	S	Bend	trans	-93.2	-34.3	-171.1	-51.8	-174.3	0	0	0	111.7	P219 I220 I222 L314 V318	P219-I236 HydrophobicContact CG-CD1 4.24Å; P219-I236 VanDerWaalsContact O-CD1 3.28Å; P219-I236 WeakPolarHBondContact O-CD1 3.4Å; I220-I236 PolarHBondContact O-N 3.04Å; I222-I236 HydrophobicContact CG2-CD1 4.13Å; I236-L314 HydrophobicContact CD1-CD1 3.69Å; I236-L314 HydrophobicContact CD1-CD2 3.3Å; I236-L314 HydrophobicContact CD1-CG 3.99Å; I236-V318 HydrophobicContact CG2-CG2 4.07Å
237	F	61.9	Low	53.5	Low	61 Å²	61	73.1 Å²	73.1	27%	0.268	38%	0.38	S	S	.	.	S	Bend	trans	-125.2	1.9	-165.5	-62.2	-70.4	0	0	0	116.7	I218 P219 K239 E317 H321	I218-F237 HydrophobicContact CB-CE2 4.34Å; I218-F237 HydrophobicContact CB-CZ 4.33Å; I218-F237 HydrophobicContact CG2-CE2 3.74Å; I218-F237 HydrophobicContact CG2-CZ 3.69Å; P219-F237 WeakPolarHBondContact O-CE2 3.42Å; F237-K239 PolarHBondContact O-N 2.76Å; F237-K239 VanDerWaalsContact O-N 3.07Å; F237-E317 HydrophobicContact CE1-CG 3.62Å; F237-E317 HydrophobicContact CZ-CG 3.44Å; F237-E317 VanDerWaalsContact CZ-CG 3.44Å; F237-E317 VanDerWaalsContact CZ-OE1 3.3Å; F237-E317 WeakPolarHBondContact CZ-OE1 3.38Å; F237-H321 AromaticContact CD1-CD2 3.94Å
238	E	48.2	Very low	51.8	Low	71 Å²	71	72.5 Å²	72.5	33%	0.332	38%	0.378	S	S	.	.			trans	-66.1	118.7	-178.1	-96.7	-176.5	162.8	0	0	111.1	N240 S241 H244	E238-N240 PolarHBondContact O-N 3.12Å; E238-S241 WeakPolarHBondContact O-CB 3.26Å; E238-S241 PolarHBondContact O-N 3.45Å; E238-H244 IonicContact OE2-CD2 3.47Å; E238-H244 PolarHBondContact OE2-CD2 2.85Å; E238-H244 IonicContact OE2-CG 3.9Å; E238-H244 IonicContact OE2-NE2 3.08Å
239	K	44.6	Very low	50.1	Low	199 Å²	199	70.5 Å²	70.5	87%	0.865	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-16.5	168.5	-76.9	-178.4	175.8	177.3	0	112.8	F237	F237-K239 PolarHBondContact O-N 2.76Å; F237-K239 VanDerWaalsContact O-N 3.07Å
240	N	34.1	Very low	48.5	Very low	106 Å²	106	72.2 Å²	72.2	57%	0.567	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	28.8	174.4	-67.7	-14.7	0	0	0	112.5	E238 D242 T243 H244	E238-N240 PolarHBondContact O-N 3.12Å; N240-D242 PolarHBondContact O-N 3.39Å; N240-T243 PolarHBondContact O-N 2.87Å; N240-T243 PolarHBondContact O-OG1 3.42Å; N240-H244 PolarHBondContact O-N 2.93Å
241	S	35.6	Very low	46.6	Very low	37 Å²	37	77 Å²	77	26%	0.259	39%	0.388	S	S	.	.	H	α-helix	trans	-48.8	-29.8	178	62.5	0	0	0	0	112	E238 T243 I245	E238-S241 WeakPolarHBondContact O-CB 3.26Å; E238-S241 PolarHBondContact O-N 3.45Å; S241-T243 PolarHBondContact O-N 3.44Å; S241-I245 WeakPolarHBondContact O-CA 3.28Å; S241-I245 WeakPolarHBondContact O-CB 3.38Å; S241-I245 VanDerWaalsContact O-CD1 3.26Å; S241-I245 WeakPolarHBondContact O-CD1 3.14Å; S241-I245 WeakPolarHBondContact O-CG1 3.24Å; S241-I245 PolarHBondContact O-N 3.48Å
242	D	32.6	Very low	44.3	Very low	121 Å²	121	77.1 Å²	77.1	65%	0.647	39%	0.385	S	S	*	.	H	α-helix	trans	-65.9	-31.5	179.2	-70.8	-14.2	0	0	0	114.8	N240	N240-D242 PolarHBondContact O-N 3.39Å
243	T	30.7	Very low	42.2	Very low	86 Å²	86	85 Å²	85	53%	0.528	41%	0.413	S	S	.	.	H	α-helix	trans	-82.3	-42.1	176.6	44.6	0	0	0	0	111.8	N240 S241 R246	N240-T243 PolarHBondContact O-N 2.87Å; N240-T243 PolarHBondContact O-OG1 3.42Å; S241-T243 PolarHBondContact O-N 3.44Å; T243-R246 WeakPolarHBondContact O-CB 3.13Å; T243-R246 PolarHBondContact O-N 3.06Å
244	H	31.5	Very low	40	Very low	76 Å²	76	86.1 Å²	86.1	35%	0.352	42%	0.424	S	S	.	.	H	α-helix	trans	-78.8	-32	-179.9	-81.6	-73	0	0	0	114.2	E238 N240 R246 N247 A248	E238-H244 IonicContact OE2-CD2 3.47Å; E238-H244 PolarHBondContact OE2-CD2 2.85Å; E238-H244 IonicContact OE2-CG 3.9Å; E238-H244 IonicContact OE2-NE2 3.08Å; N240-H244 PolarHBondContact O-N 2.93Å; H244-R246 PolarHBondContact O-N 3.33Å; H244-N247 PolarHBondContact O-N 2.81Å; H244-A248 PolarHBondContact O-N 2.85Å
245	I	33.1	Very low	37.9	Very low	36 Å²	36	89 Å²	89	19%	0.185	44%	0.437	C	S	.	.	H	α-helix	trans	-59	-35.9	170.9	-72.2	167.3	0	0	0	109.9	S241 N247 A248 L249	S241-I245 WeakPolarHBondContact O-CA 3.28Å; S241-I245 WeakPolarHBondContact O-CB 3.38Å; S241-I245 VanDerWaalsContact O-CD1 3.26Å; S241-I245 WeakPolarHBondContact O-CD1 3.14Å; S241-I245 WeakPolarHBondContact O-CG1 3.24Å; S241-I245 PolarHBondContact O-N 3.48Å; I245-N247 VanDerWaalsContact C-N 3.28Å; I245-N247 PolarHBondContact O-N 3.05Å; I245-A248 PolarHBondContact O-N 3.43Å; I245-L249 HydrophobicContact CG2-CD1 3.56Å; I245-L249 HydrophobicContact CG2-CG 4.07Å; I245-L249 VanDerWaalsContact O-CB 3.32Å; I245-L249 WeakPolarHBondContact O-CB 3.31Å; I245-L249 WeakPolarHBondContact O-CG 3.38Å; I245-L249 PolarHBondContact O-N 3Å
246	R	31.6	Very low	36	Very low	178 Å²	178	89.9 Å²	89.9	67%	0.672	45%	0.452	S	S	*	.	H	α-helix	trans	-62.2	-38.3	176.6	-142.6	179.5	-83.8	-168.9	-5.2	111.1	T243 H244 N250	T243-R246 WeakPolarHBondContact O-CB 3.13Å; T243-R246 PolarHBondContact O-N 3.06Å; H244-R246 PolarHBondContact O-N 3.33Å; R246-N250 WeakPolarHBondContact O-CB 3.44Å; R246-N250 PolarHBondContact O-N 2.87Å; R246-N250 PolarHBondContact O-ND2 2.91Å; R246-N250 VanDerWaalsContact O-ND2 3.17Å
247	N	30	Very low	34.2	Very low	102 Å²	102	96 Å²	96	55%	0.545	48%	0.484	S	S	.	.	H	α-helix	trans	-73.4	-42.6	176.4	-71.4	-15	0	0	0	113	H244 I245 N250 F251	H244-N247 PolarHBondContact O-N 2.81Å; I245-N247 VanDerWaalsContact C-N 3.28Å; I245-N247 PolarHBondContact O-N 3.05Å; N247-N250 PolarHBondContact O-N 2.8Å; N247-F251 PolarHBondContact O-N 2.88Å
248	A	30.7	Very low	32.7	Very low	33 Å²	33	101.7 Å²	101.7	27%	0.273	51%	0.509	S	S	.	.	H	α-helix	trans	-65.2	-40.1	177.3	0	0	0	0	0	112.4	H244 I245 F251 L252	H244-A248 PolarHBondContact O-N 2.85Å; I245-A248 PolarHBondContact O-N 3.43Å; A248-F251 PolarHBondContact O-N 2.97Å; A248-L252 WeakPolarHBondContact O-CG 3.41Å; A248-L252 PolarHBondContact O-N 2.76Å; A248-L252 VanDerWaalsContact O-N 3.1Å
249	L	29.9	Very low	31.8	Very low	97 Å²	97	104.2 Å²	104.2	51%	0.508	52%	0.519	S	S	.	.	H	α-helix	trans	-71.3	-35.8	175.5	-73.2	174.5	0	0	0	112.6	I245 F251 L252 R253	I245-L249 HydrophobicContact CG2-CD1 3.56Å; I245-L249 HydrophobicContact CG2-CG 4.07Å; I245-L249 VanDerWaalsContact O-CB 3.32Å; I245-L249 WeakPolarHBondContact O-CB 3.31Å; I245-L249 WeakPolarHBondContact O-CG 3.38Å; I245-L249 PolarHBondContact O-N 3Å; L249-F251 VanDerWaalsContact C-N 3.31Å; L249-L252 HydrophobicContact CD2-CD1 4.21Å; L249-L252 PolarHBondContact O-N 3.43Å; L249-R253 PolarHBondContact O-N 2.92Å
250	N	31.4	Very low	31	Very low	88 Å²	88	102 Å²	102	47%	0.471	52%	0.516	S	S	.	.	H	α-helix	trans	-64.8	-37.6	173.6	-77.7	-17.4	0	0	0	111.4	R246 N247 R253 A254	R246-N250 WeakPolarHBondContact O-CB 3.44Å; R246-N250 PolarHBondContact O-N 2.87Å; R246-N250 PolarHBondContact O-ND2 2.91Å; R246-N250 VanDerWaalsContact O-ND2 3.17Å; N247-N250 PolarHBondContact O-N 2.8Å; N250-R253 PolarHBondContact O-N 3.43Å; N250-A254 WeakPolarHBondContact O-CB 3.29Å; N250-A254 PolarHBondContact O-N 3.01Å
251	F	31.2	Very low	30.9	Very low	117 Å²	117	104.6 Å²	104.6	51%	0.513	53%	0.53	S	S	.	.	H	α-helix	trans	-63.2	-44	174	-155.7	-90.2	0	0	0	111.7	N247 A248 L249 R253 A254 E255	N247-F251 PolarHBondContact O-N 2.88Å; A248-F251 PolarHBondContact O-N 2.97Å; L249-F251 VanDerWaalsContact C-N 3.31Å; F251-R253 VanDerWaalsContact C-N 3.3Å; F251-R253 PolarHBondContact O-N 2.85Å; F251-A254 PolarHBondContact O-N 2.91Å; F251-E255 HydrophobicContact CD1-CG 4.2Å; F251-E255 HydrophobicContact CE1-CG 3.83Å; F251-E255 HydrophobicContact CZ-CG 4.45Å; F251-E255 PolarHBondContact O-N 2.84Å
252	L	28.6	Very low	30.8	Very low	67 Å²	67	110 Å²	110	35%	0.351	56%	0.556	S	S	.	*	H	α-helix	trans	-61.7	-35.3	175.1	-74.1	169.5	0	0	0	113	V232 A248 L249 S256	V232-L252 HydrophobicContact CG1-CD2 4.2Å; V232-L252 HydrophobicContact CG2-CD2 4.07Å; A248-L252 WeakPolarHBondContact O-CG 3.41Å; A248-L252 PolarHBondContact O-N 2.76Å; A248-L252 VanDerWaalsContact O-N 3.1Å; L249-L252 HydrophobicContact CD2-CD1 4.21Å; L249-L252 PolarHBondContact O-N 3.43Å; L252-S256 WeakPolarHBondContact O-CB 3.48Å; L252-S256 PolarHBondContact O-N 3.37Å; L252-S256 PolarHBondContact O-OG 2.75Å
253	R	32	Very low	30.7	Very low	187 Å²	187	114 Å²	114	71%	0.706	57%	0.567	S	S	*	*	H	α-helix	trans	-70.8	-43.6	173.7	-111.7	-177.6	-162.7	174.5	5.8	111.8	L249 N250 F251 S256 L257	L249-R253 PolarHBondContact O-N 2.92Å; N250-R253 PolarHBondContact O-N 3.43Å; F251-R253 VanDerWaalsContact C-N 3.3Å; F251-R253 PolarHBondContact O-N 2.85Å; R253-S256 PolarHBondContact O-N 3Å; R253-S256 PolarHBondContact O-OG 2.87Å; R253-L257 PolarHBondContact O-N 2.75Å
254	A	29.9	Very low	30.7	Very low	57 Å²	57	119.6 Å²	119.6	47%	0.471	59%	0.587	S	S	.	*	H	α-helix	trans	-66.5	-41.3	-177.1	0	0	0	0	0	112.6	N250 F251 L257	N250-A254 WeakPolarHBondContact O-CB 3.29Å; N250-A254 PolarHBondContact O-N 3.01Å; F251-A254 PolarHBondContact O-N 2.91Å; A254-L257 PolarHBondContact O-N 3.42Å
255	E	28.1	Very low	30.7	Very low	65 Å²	65	120.7 Å²	120.7	30%	0.304	60%	0.604	S	S	.	*	H	α-helix	trans	-72	-35.6	176.7	-81.8	-159.6	152.2	0	0	112.9	F251 L257 K258 F259	F251-E255 HydrophobicContact CD1-CG 4.2Å; F251-E255 HydrophobicContact CE1-CG 3.83Å; F251-E255 HydrophobicContact CZ-CG 4.45Å; F251-E255 PolarHBondContact O-N 2.84Å; E255-L257 PolarHBondContact O-N 2.64Å; E255-L257 VanDerWaalsContact O-N 3.09Å; E255-K258 PolarHBondContact O-N 2.89Å; E255-F259 WeakPolarHBondContact O-CD2 3.15Å
256	S	31.8	Very low	30.5	Very low	80 Å²	80	124.9 Å²	124.9	56%	0.559	64%	0.636	S	S	*	*	H	α-helix	trans	-60	-24.3	177	73.2	0	0	0	0	113.2	L252 R253	L252-S256 WeakPolarHBondContact O-CB 3.48Å; L252-S256 PolarHBondContact O-N 3.37Å; L252-S256 PolarHBondContact O-OG 2.75Å; R253-S256 PolarHBondContact O-N 3Å; R253-S256 PolarHBondContact O-OG 2.87Å
257	L	31.6	Very low	30.5	Very low	151 Å²	151	124.6 Å²	124.6	79%	0.791	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-13.7	177.3	-76.7	163.4	0	0	0	114.1	R253 A254 E255	R253-L257 PolarHBondContact O-N 2.75Å; A254-L257 PolarHBondContact O-N 3.42Å; E255-L257 PolarHBondContact O-N 2.64Å; E255-L257 VanDerWaalsContact O-N 3.09Å
258	K	30.6	Very low	30.6	Very low	181 Å²	181	126 Å²	126	79%	0.787	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-0.2	179.1	-84.8	-172.5	177	-178.3	0	114.4	E255 N260	E255-K258 PolarHBondContact O-N 2.89Å; K258-N260 VanDerWaalsContact C-N 3.25Å; K258-N260 PolarHBondContact O-N 3.2Å
259	F	28.3	Very low	30.8	Very low	125 Å²	125	132.3 Å²	132.3	55%	0.548	68%	0.683	S	S	.	*			trans	-73	82.3	171.2	-83.6	-83.9	0	0	0	110.9	E255 L261	E255-F259 WeakPolarHBondContact O-CD2 3.15Å; F259-L261 PolarHBondContact O-N 3.2Å
260	N	28.7	Very low	30.8	Very low	151 Å²	151	135.9 Å²	135.9	81%	0.807	70%	0.697	S	S	*	*			trans	-64.6	99	157.5	-94.9	-36.9	0	0	0	108.1	K258 N262	K258-N260 VanDerWaalsContact C-N 3.25Å; K258-N260 PolarHBondContact O-N 3.2Å; N260-N262 PolarHBondContact O-N 3.3Å
261	L	32.1	Very low	31.1	Very low	162 Å²	162	139.7 Å²	139.7	85%	0.848	71%	0.709	S	S	*	*			trans	-60.6	80.4	161.9	-87.7	145.8	0	0	0	108.4	F259	F259-L261 PolarHBondContact O-N 3.2Å
262	N	32	Very low	31.9	Very low	150 Å²	150	139.2 Å²	139.2	80%	0.802	71%	0.711	S	S	*	*			trans	-169.3	75.4	164.8	-87.4	-27.8	0	0	0	109.2	N260	N260-N262 PolarHBondContact O-N 3.3Å
263	K	31.7	Very low	33.5	Very low	204 Å²	204	140.3 Å²	140.3	89%	0.887	72%	0.724	S	S	*	*			trans	-159.5	84.7	156.9	-108.4	171.6	-169	-176.4	0	108.6	S265	K263-S265 VanDerWaalsContact C-N 3.3Å; K263-S265 PolarHBondContact O-N 3.35Å
264	E	30.1	Very low	35.3	Very low	204 Å²	204	131.9 Å²	131.9	95%	0.953	69%	0.694	S	S	*	*			trans	-68	89.8	162.4	-70.5	-178.8	157.2	0	0	108
265	S	30.4	Very low	37.8	Very low	100 Å²	100	129.7 Å²	129.7	70%	0.699	68%	0.675	S	S	*	*			trans	-103.3	103.1	165.5	82.4	0	0	0	0	109.2	K263 K267	K263-S265 VanDerWaalsContact C-N 3.3Å; K263-S265 PolarHBondContact O-N 3.35Å; S265-K267 VanDerWaalsContact C-N 3.33Å; S265-K267 PolarHBondContact O-N 2.87Å
266	S	30.7	Very low	40.6	Very low	123 Å²	123	126.7 Å²	126.7	86%	0.86	66%	0.661	S	S	*	*			trans	-74.2	81.7	171	43.9	0	0	0	0	110.2
267	K	30.3	Very low	43.3	Very low	173 Å²	173	124.4 Å²	124.4	75%	0.752	64%	0.642	S	S	*	*	S	Bend	trans	-122.7	139.2	154.6	-74.1	-173.4	-180	179.5	0	107.7	S265 L269	S265-K267 VanDerWaalsContact C-N 3.33Å; S265-K267 PolarHBondContact O-N 2.87Å; K267-L269 PolarHBondContact O-N 3.18Å
268	P	32.1	Very low	46.1	Very low	132 Å²	132	117.2 Å²	117.2	86%	0.857	61%	0.605	S	S	*	*			trans	-59.7	110	-177	24.5	-31.7	0	0	0	108	Q270	P268-Q270 PolarHBondContact O-N 2.86Å
269	L	34.8	Very low	48.7	Very low	164 Å²	164	109.1 Å²	109.1	86%	0.859	57%	0.57	S	S	*	*			trans	-56.2	103.1	179.5	-77	157.6	0	0	0	107.6	K267 K271	K267-L269 PolarHBondContact O-N 3.18Å; L269-K271 PolarHBondContact O-N 3.19Å; L269-K271 VanDerWaalsContact O-N 3.07Å
270	Q	31.4	Very low	51.5	Low	172 Å²	172	103.3 Å²	103.3	80%	0.804	54%	0.544	S	S	*	.			trans	-50.6	120.1	156.4	-95.1	178.9	-15.8	0	0	105.5	P268 I272	P268-Q270 PolarHBondContact O-N 2.86Å; Q270-I272 PolarHBondContact O-N 3.37Å
271	K	37.1	Very low	54	Low	169 Å²	169	96.6 Å²	96.6	74%	0.735	51%	0.51	S	S	*	.			trans	-63.9	84.6	-179.6	-72.9	-178.5	178.5	-169.3	0	108.9	L269 S273 N350	L269-K271 PolarHBondContact O-N 3.19Å; L269-K271 VanDerWaalsContact O-N 3.07Å; K271-S273 PolarHBondContact O-N 2.98Å; K271-N350 WeakPolarHBondContact CE-OD1 3.33Å; K271-N350 PolarHBondContact NZ-OD1 3.11Å
272	I	46.8	Very low	56.2	Low	106 Å²	106	88.9 Å²	88.9	54%	0.544	47%	0.47	S	S	.	.			trans	-76.2	105.1	169.7	-58.6	169.5	0	0	0	104.7	S227 Q270	S227-I272 WeakPolarHBondContact CB-O 3.26Å; Q270-I272 PolarHBondContact O-N 3.37Å
273	S	62.5	Low	58	Low	91 Å²	91	85.9 Å²	85.9	64%	0.636	45%	0.451	S	S	*	.			trans	-74	140.4	171.9	55.4	0	0	0	0	109.7	K271	K271-S273 PolarHBondContact O-N 2.98Å
274	S	70.7	Confident	59.6	Low	10 Å²	10	79.4 Å²	79.4	7%	0.07	42%	0.422	C	S	.	.			trans	-54.8	139.6	171.7	-68.6	0	0	0	0	109.6	E225 E346	E225-S274 CarbonylContact O-C 3.58Å; E225-S274 WeakPolarHBondContact O-CA 3.44Å; S274-E346 WeakPolarHBondContact CA-OE2 3.35Å; S274-E346 VanDerWaalsContact CB-OE2 3.29Å; S274-E346 WeakPolarHBondContact CB-OE2 3.16Å; S274-E346 PolarHBondContact N-OE2 2.64Å; S274-E346 PolarHBondContact OG-OE1 3.25Å; S274-E346 PolarHBondContact OG-OE2 2.9Å
275	S	82	Confident	61.1	Low	11 Å²	11	73.5 Å²	73.5	8%	0.077	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.5	-176.7	77.5	0	0	0	0	111.8	V224 E225 K303	V224-S275 WeakPolarHBondContact CA-O 3.48Å; E225-S275 PolarHBondContact N-O 2.85Å; E225-S275 PolarHBondContact O-N 2.76Å; E225-S275 PolarHBondContact OE2-OG 3.03Å; S275-K303 WeakPolarHBondContact OG-CE 3.49Å; S275-K303 PolarHBondContact OG-NZ 3.42Å
276	L	87.4	Confident	62.5	Low	1 Å²	1	71 Å²	71	1%	0.005	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	123.5	175.1	-177.3	64.4	0	0	0	108.8	I222 V224 L278 T304 W310 M311 L343	I222-L276 HydrophobicContact CB-CD1 3.94Å; I222-L276 HydrophobicContact CD1-CD1 4.29Å; I222-L276 HydrophobicContact CG2-CD1 4.3Å; V224-L276 HydrophobicContact CG2-CD1 3.91Å; L276-L278 HydrophobicContact CD2-CD2 3.88Å; L276-L278 HydrophobicContact CG-CD2 3.93Å; L276-T304 HydrophobicContact CB-CG2 3.85Å; L276-T304 HydrophobicContact CD2-CG2 3.96Å; L276-T304 HydrophobicContact CG-CG2 4.02Å; L276-T304 WeakPolarHBondContact O-CG2 3.34Å; L276-T304 PolarHBondContact O-N 2.66Å; L276-W310 HydrophobicContact CD2-CB 4.16Å; L276-M311 HydrophobicContact CD2-CG 3.96Å; L276-M311 HydrophobicContact CD2-SD 4.22Å; L276-L343 HydrophobicContact CB-CD1 4.18Å; L276-L343 HydrophobicContact CB-CD2 4.14Å; L276-L343 HydrophobicContact CD1-CD1 4.25Å; L276-L343 HydrophobicContact CD2-CD1 4.4Å
277	I	87.7	Confident	63.7	Low	33 Å²	33	68 Å²	68	17%	0.169	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.4	173.5	-54.1	173.2	0	0	0	107.6	I222 T223 E225 V302	I222-I277 CarbonylContact C-O 3.57Å; I222-I277 VanDerWaalsContact CA-O 3.25Å; I222-I277 WeakPolarHBondContact CA-O 3.39Å; T223-I277 PolarHBondContact N-O 2.71Å; T223-I277 PolarHBondContact O-N 2.81Å; E225-I277 HydrophobicContact CB-CD1 4.33Å; I277-V302 CarbonylContact C-O 3.52Å; I277-V302 VanDerWaalsContact CA-O 3.3Å; I277-V302 WeakPolarHBondContact CA-O 3.37Å
278	L	90.2	Very high	65	Low	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.8	178.5	-50	174.9	0	0	0	108.5	P219 I222 L276 F280 S301 V302 T304 W310	P219-L278 HydrophobicContact CB-CB 4.15Å; P219-L278 HydrophobicContact CG-CB 4.4Å; P219-L278 HydrophobicContact CG-CD2 4.3Å; I222-L278 HydrophobicContact CG2-CD2 3.77Å; L276-L278 HydrophobicContact CD2-CD2 3.88Å; L276-L278 HydrophobicContact CG-CD2 3.93Å; L278-F280 HydrophobicContact CB-CE2 3.76Å; L278-F280 HydrophobicContact CB-CZ 4.14Å; L278-F280 HydrophobicContact CD1-CE2 4.42Å; L278-F280 HydrophobicContact CD1-CZ 4.29Å; L278-S301 CarbonylContact O-C 3.52Å; L278-S301 VanDerWaalsContact O-CA 3.31Å; L278-S301 WeakPolarHBondContact O-CA 3.13Å; L278-V302 PolarHBondContact N-O 3.37Å; L278-V302 PolarHBondContact O-N 3.42Å; L278-T304 HydrophobicContact CD1-CG2 4.03Å; L278-T304 HydrophobicContact CD2-CG2 4.23Å; L278-T304 HydrophobicContact CG-CG2 4.02Å; L278-W310 HydrophobicContact CD1-CD2 3.48Å; L278-W310 VanDerWaalsContact CD1-CD2 3.48Å; L278-W310 HydrophobicContact CD1-CE3 4.13Å; L278-W310 HydrophobicContact CD1-CG 3.71Å; L278-W310 HydrophobicContact CD1-CH2 4.41Å; L278-W310 HydrophobicContact CD1-CZ2 3.82Å; L278-W310 HydrophobicContact CD2-CB 4.23Å; L278-W310 HydrophobicContact CD2-CD2 4.35Å; L278-W310 HydrophobicContact CD2-CG 4.16Å
279	H	86.8	Confident	66.6	Low	11 Å²	11	56.9 Å²	56.9	5%	0.051	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.9	-179.5	-58.9	-80.3	0	0	0	109.9	P219 I220 A221 T223 C299 F300 S301	P219-H279 CarbonylContact C-O 3.5Å; P219-H279 WeakPolarHBondContact CA-O 3.44Å; P219-H279 WeakPolarHBondContact CB-O 3.23Å; I220-H279 WeakPolarHBondContact CG1-O 3.3Å; I220-H279 PolarHBondContact N-O 3.08Å; A221-H279 HydrophobicContact CB-CB 4Å; A221-H279 PolarHBondContact N-O 2.75Å; A221-H279 WeakPolarHBondContact O-CB 3.2Å; A221-H279 PolarHBondContact O-N 3.02Å; T223-H279 VanDerWaalsContact CB-NE2 3.33Å; T223-H279 WeakPolarHBondContact CB-NE2 3.36Å; T223-H279 PolarHBondContact OG1-CD2 3.26Å; T223-H279 PolarHBondContact OG1-NE2 2.79Å; H279-C299 HydrophobicContact CB-CB 3.72Å; H279-F300 WeakPolarHBondContact CA-O 3.34Å; H279-S301 PolarHBondContact CE1-OG 3.43Å; H279-S301 PolarHBondContact ND1-OG 3.33Å
280	F	86.9	Confident	68	Low	2 Å²	2	49.1 Å²	49.1	1%	0.009	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	143.6	177.9	-59	-87.7	0	0	0	110.8	P217 P219 L278 C299 F300 V302 W310 L445 Y450 F454	P217-F280 HydrophobicContact CB-CD1 4.15Å; P217-F280 HydrophobicContact CB-CE1 4.04Å; P217-F280 HydrophobicContact CG-CD1 4.38Å; P217-F280 HydrophobicContact CG-CE1 3.95Å; P219-F280 HydrophobicContact CB-CD1 4.04Å; P219-F280 HydrophobicContact CB-CE1 3.81Å; P219-F280 HydrophobicContact CB-CG 4.49Å; P219-F280 HydrophobicContact CB-CZ 4.06Å; P219-F280 HydrophobicContact CG-CE1 4.31Å; P219-F280 HydrophobicContact CG-CZ 4.46Å; L278-F280 HydrophobicContact CB-CE2 3.76Å; L278-F280 HydrophobicContact CB-CZ 4.14Å; L278-F280 HydrophobicContact CD1-CE2 4.42Å; L278-F280 HydrophobicContact CD1-CZ 4.29Å; F280-C299 CarbonylContact O-C 3.6Å; F280-C299 WeakPolarHBondContact O-CA 3.34Å; F280-C299 WeakPolarHBondContact O-CB 3.48Å; F280-F300 HydrophobicContact CB-CB 4.38Å; F280-F300 HydrophobicContact CB-CD1 4.49Å; F280-F300 HydrophobicContact CD2-CD1 4.09Å; F280-F300 PolarHBondContact N-O 3.48Å; F280-F300 PolarHBondContact O-N 2.83Å; F280-V302 HydrophobicContact CD2-CG2 4.22Å; F280-V302 HydrophobicContact CE2-CB 4.44Å; F280-V302 HydrophobicContact CE2-CG2 4.08Å; F280-W310 HydrophobicContact CE1-CH2 4.47Å; F280-W310 HydrophobicContact CZ-CH2 4.07Å; F280-W310 HydrophobicContact CZ-CZ2 4.47Å; F280-L445 HydrophobicContact CE2-CD2 4.15Å; F280-L445 HydrophobicContact CZ-CD2 3.98Å; F280-Y450 HydrophobicContact CB-CE2 3.71Å; F280-Y450 AromaticContact CD1-CE2 3.84Å; F280-Y450 HydrophobicContact CD1-CE2 3.84Å; F280-Y450 HydrophobicContact CD2-CD2 4.25Å; F280-Y450 HydrophobicContact CD2-CE2 4.06Å; F280-Y450 HydrophobicContact CE1-CE2 4.47Å; F280-Y450 HydrophobicContact CG-CD2 4.25Å; F280-Y450 AromaticContact CG-CE2 3.6Å; F280-Y450 HydrophobicContact CG-CE2 3.6Å; F280-F454 HydrophobicContact CB-CZ 4.45Å
281	A	81.3	Confident	70.1	Confident	11 Å²	11	41.4 Å²	41.4	9%	0.091	22%	0.218	C	C	.	.			trans	-132.1	156.1	178.1	0	0	0	0	0	111.3	I220	I220-A281 HydrophobicContact CD1-CB 3.37Å; I220-A281 HydrophobicContact CG1-CB 3.8Å; I220-A281 HydrophobicContact CG2-CB 4.17Å
282	C	77.7	Confident	71.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.			trans	-83	137.6	172.7	168.8	0	0	0	0	109.9	H285 C289 Y291 F454 C472 C475	C282-H285 PolarHBondContact O-CE1 3.01Å; C282-H285 PolarHBondContact O-ND1 3.3Å; C282-C289 WeakPolarHBondContact CB-SG 3.27Å; C282-C289 VanDerWaalsContact SG-SG 3.66Å; C282-Y291 PolarHBondContact N-O 2.84Å; C282-F454 HydrophobicContact CB-CE1 4.04Å; C282-C472 HydrophobicContact CB-CB 3.84Å; C282-C472 PolarHBondContact SG-N 3.01Å; C282-C475 VanDerWaalsContact SG-CB 3.51Å; C282-C475 VanDerWaalsContact SG-SG 3.68Å
283	Q	69.7	Low	72.6	Confident	87 Å²	87	28.8 Å²	28.8	41%	0.407	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-28.2	-173.5	-62.3	-177	1.5	0	0	114.1	H285	Q283-H285 VanDerWaalsContact C-N 3.28Å; Q283-H285 PolarHBondContact O-CD2 2.85Å; Q283-H285 PolarHBondContact O-N 2.83Å
284	K	65.5	Low	72.7	Confident	67 Å²	67	26.1 Å²	26.1	29%	0.291	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-13.2	179.1	-81.3	-178.7	-177.1	178.1	0	115.3	C286 D471 C475	K284-C286 PolarHBondContact O-N 3.25Å; K284-C286 PolarHBondContact O-SG 2.83Å; K284-C286 VanDerWaalsContact O-SG 3.42Å; K284-D471 WeakPolarHBondContact CD-OD2 3.38Å; K284-D471 WeakPolarHBondContact CE-OD2 3.44Å; K284-D471 WeakPolarHBondContact CG-OD1 3.47Å; K284-D471 PolarHBondContact N-OD1 2.88Å; K284-D471 IonicContact NZ-OD2 2.71Å; K284-C475 HydrophobicContact CB-CB 3.91Å; K284-C475 HydrophobicContact CD-CB 4.01Å; K284-C475 WeakPolarHBondContact CD-O 3.34Å; K284-C475 PolarHBondContact NZ-O 3.13Å
285	H	61	Low	72.4	Confident	80 Å²	80	28.9 Å²	28.9	37%	0.37	16%	0.156	S	C	.	.			trans	41.4	34.3	176.4	-58.9	-68.8	0	0	0	115.4	C282 Q283 P292 Y514	C282-H285 PolarHBondContact O-CE1 3.01Å; C282-H285 PolarHBondContact O-ND1 3.3Å; Q283-H285 VanDerWaalsContact C-N 3.28Å; Q283-H285 PolarHBondContact O-CD2 2.85Å; Q283-H285 PolarHBondContact O-N 2.83Å; H285-P292 PolarHBondContact CE1-O 3Å; H285-P292 PolarHBondContact ND1-O 3.41Å; H285-Y514 PolarHBondContact O-OH 3.28Å
286	C	59.4	Low	71.6	Confident	48 Å²	48	30.4 Å²	30.4	32%	0.324	16%	0.162	S	C	.	.			trans	-68.4	159.2	-176.8	-63	0	0	0	0	111.3	K284 Q288 C289	K284-C286 PolarHBondContact O-N 3.25Å; K284-C286 PolarHBondContact O-SG 2.83Å; K284-C286 VanDerWaalsContact O-SG 3.42Å; C286-Q288 PolarHBondContact O-N 3.28Å; C286-C289 WeakPolarHBondContact O-CB 3.22Å; C286-C289 PolarHBondContact O-N 3.09Å
287	S	56.5	Low	70.5	Confident	59 Å²	59	36.1 Å²	36.1	41%	0.413	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.8	178.4	58.8	0	0	0	0	114.9	N517	S287-N517 PolarHBondContact OG-ND2 3.15Å
288	Q	58.1	Low	69.5	Low	72 Å²	72	36.2 Å²	36.2	34%	0.336	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	4.3	176.3	-63	-179.4	-0.3	0	0	113.3	C286 L290 V474 N517 R682	C286-Q288 PolarHBondContact O-N 3.28Å; Q288-L290 PolarHBondContact O-N 3.39Å; Q288-V474 HydrophobicContact CB-CG1 4.15Å; Q288-N517 HydrophobicContact CG-CB 4.04Å; Q288-R682 PolarHBondContact O-NH2 3.4Å
289	C	64.9	Low	68.9	Low	1 Å²	1	36.6 Å²	36.6	1%	0.007	19%	0.194	C	C	.	.			trans	-59.8	133.2	-178.4	-177.8	0	0	0	0	110.7	C282 C286 Y291 P292 L516	C282-C289 WeakPolarHBondContact CB-SG 3.27Å; C282-C289 VanDerWaalsContact SG-SG 3.66Å; C286-C289 WeakPolarHBondContact O-CB 3.22Å; C286-C289 PolarHBondContact O-N 3.09Å; C289-Y291 VanDerWaalsContact C-N 3.33Å; C289-Y291 PolarHBondContact SG-N 3.25Å; C289-Y291 VanDerWaalsContact SG-N 3.4Å; C289-P292 HydrophobicContact CB-CB 4.23Å; C289-L516 WeakPolarHBondContact O-CD2 3.42Å
290	L	64.8	Low	68.6	Low	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-68.3	-35.5	175.6	-67	-175	0	0	0	113	Q288 C472 F473 V474 I678 R682 Q685	Q288-L290 PolarHBondContact O-N 3.39Å; L290-C472 HydrophobicContact CB-CB 4.45Å; L290-F473 HydrophobicContact CD1-CD1 4.49Å; L290-F473 HydrophobicContact CD1-CE1 3.29Å; L290-F473 HydrophobicContact CD1-CZ 3.39Å; L290-F473 HydrophobicContact CG-CE1 4.42Å; L290-F473 HydrophobicContact CG-CZ 4.16Å; L290-V474 HydrophobicContact CD1-CG2 4.29Å; L290-V474 HydrophobicContact CD2-CG2 4.21Å; L290-V474 HydrophobicContact CG-CG2 3.79Å; L290-I678 HydrophobicContact CD1-CG1 4.25Å; L290-I678 HydrophobicContact CD2-CG1 4.47Å; L290-I678 HydrophobicContact CD2-CG2 4.09Å; L290-R682 HydrophobicContact CD2-CG 4.03Å; L290-Q685 PolarHBondContact O-NE2 2.87Å
291	Y	74.6	Confident	68.5	Low	11 Å²	11	39.9 Å²	39.9	4%	0.043	22%	0.215	C	C	.	.			trans	-131.5	67.1	-172.1	-56.8	-64.4	0	0	0	110	C282 C289 G293 K298 F300 L453 F454 C472 V681	C282-Y291 PolarHBondContact N-O 2.84Å; C289-Y291 VanDerWaalsContact C-N 3.33Å; C289-Y291 PolarHBondContact SG-N 3.25Å; C289-Y291 VanDerWaalsContact SG-N 3.4Å; Y291-G293 PolarHBondContact O-N 3.46Å; Y291-G293 VanDerWaalsContact O-N 3.15Å; Y291-K298 CarbonylContact C-O 3.47Å; Y291-K298 VanDerWaalsContact C-O 3.29Å; Y291-K298 WeakPolarHBondContact CA-O 3.17Å; Y291-F300 HydrophobicContact CD1-CB 3.85Å; Y291-F300 HydrophobicContact CD2-CB 4.07Å; Y291-F300 HydrophobicContact CE1-CB 3.8Å; Y291-F300 HydrophobicContact CE1-CD2 4.24Å; Y291-F300 HydrophobicContact CE2-CB 4.03Å; Y291-F300 HydrophobicContact CE2-CD2 4.32Å; Y291-F300 HydrophobicContact CG-CB 3.97Å; Y291-F300 AromaticContact CZ-CD2 3.81Å; Y291-L453 HydrophobicContact CE2-CB 4.37Å; Y291-L453 HydrophobicContact CE2-CD1 4.27Å; Y291-F454 HydrophobicContact CD2-CE1 4.32Å; Y291-F454 AromaticContact CD2-CE2 3.65Å; Y291-F454 HydrophobicContact CD2-CE2 3.65Å; Y291-F454 AromaticContact CD2-CZ 3.41Å; Y291-F454 HydrophobicContact CD2-CZ 3.41Å; Y291-F454 VanDerWaalsContact CD2-CZ 3.41Å; Y291-F454 HydrophobicContact CE2-CE2 4.01Å; Y291-F454 HydrophobicContact CE2-CZ 4.24Å; Y291-F454 HydrophobicContact CG-CE2 4.39Å; Y291-F454 AromaticContact CG-CZ 3.88Å; Y291-F454 HydrophobicContact CG-CZ 3.88Å; Y291-C472 HydrophobicContact CD2-CB 4.35Å; Y291-V681 HydrophobicContact CE1-CG1 3.84Å; Y291-V681 WeakPolarHBondContact OH-CG1 3.22Å; Y291-V681 WeakPolarHBondContact OH-CG2 3.44Å
292	P	68.2	Low	68.7	Low	4 Å²	4	39.8 Å²	39.8	3%	0.026	21%	0.214	C	C	.	.			trans	-70.7	-3.2	-176.8	31.7	-37.5	0	0	0	112.7	H285 C289 S294 K298	H285-P292 PolarHBondContact CE1-O 3Å; H285-P292 PolarHBondContact ND1-O 3.41Å; C289-P292 HydrophobicContact CB-CB 4.23Å; P292-S294 PolarHBondContact O-N 3.2Å; P292-K298 WeakPolarHBondContact CD-O 3.34Å; P292-K298 HydrophobicContact CG-CB 3.94Å; P292-K298 HydrophobicContact CG-CD 4.02Å
293	G	68.5	Low	69.1	Low	6 Å²	6	45.5 Å²	45.5	6%	0.062	24%	0.239	C	C	.	.			trans	66.3	-1.2	165.1	0	0	0	0	0	118.1	I220 Y291 L295 K298	I220-G293 WeakPolarHBondContact CD1-O 3.24Å; Y291-G293 PolarHBondContact O-N 3.46Å; Y291-G293 VanDerWaalsContact O-N 3.15Å; G293-L295 PolarHBondContact O-N 3.33Å; G293-K298 PolarHBondContact N-O 3.12Å
294	S	64.1	Low	70	Confident	34 Å²	34	41.7 Å²	41.7	24%	0.238	22%	0.222	C	C	.	.	S	Bend	trans	-67.5	-24.1	178.9	53.6	0	0	0	0	112.5	P292	P292-S294 PolarHBondContact O-N 3.2Å
295	L	64.3	Low	70.9	Confident	69 Å²	69	46.5 Å²	46.5	36%	0.361	24%	0.242	S	C	.	.	S	Bend	trans	-140	152.6	175.5	-63.6	172.2	0	0	0	109.2	G293 N297 K298 C299	G293-L295 PolarHBondContact O-N 3.33Å; L295-N297 VanDerWaalsContact C-N 3.3Å; L295-N297 WeakPolarHBondContact CB-OD1 3.46Å; L295-N297 PolarHBondContact O-N 3.35Å; L295-K298 HydrophobicContact CB-CG 4.4Å; L295-K298 CarbonylContact O-C 3.45Å; L295-K298 WeakPolarHBondContact O-CA 3.33Å; L295-K298 WeakPolarHBondContact O-CB 3.48Å; L295-K298 PolarHBondContact O-N 3.19Å; L295-C299 PolarHBondContact O-SG 2.94Å
296	Q	65	Low	72.1	Confident	43 Å²	43	46.7 Å²	46.7	20%	0.201	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-60.7	-36.2	-177.4	-62.1	-169.2	-52.1	0	0	113.5	T223 S233 Y235 K298 C299	T223-Q296 PolarHBondContact OG1-NE2 3.27Å; S233-Q296 VanDerWaalsContact CB-OE1 3.26Å; S233-Q296 PolarHBondContact OG-NE2 3.01Å; S233-Q296 VanDerWaalsContact OG-NE2 3.15Å; S233-Q296 PolarHBondContact OG-OE1 3.25Å; Y235-Q296 HydrophobicContact CE1-CG 4.5Å; Y235-Q296 HydrophobicContact CE2-CG 4.39Å; Y235-Q296 WeakPolarHBondContact OH-CG 3.4Å; Y235-Q296 PolarHBondContact OH-N 2.81Å; Q296-K298 PolarHBondContact O-N 3.13Å; Q296-C299 VanDerWaalsContact O-CB 3.28Å; Q296-C299 WeakPolarHBondContact O-CB 3.16Å; Q296-C299 PolarHBondContact O-N 2.82Å; Q296-C299 VanDerWaalsContact O-N 3.09Å
297	N	64.7	Low	73.3	Confident	120 Å²	120	47.7 Å²	47.7	64%	0.642	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-68.4	-16.7	174.7	64.1	-21.1	0	0	0	113.1	L295	L295-N297 VanDerWaalsContact C-N 3.3Å; L295-N297 WeakPolarHBondContact CB-OD1 3.46Å; L295-N297 PolarHBondContact O-N 3.35Å
298	K	67.7	Low	74.6	Confident	36 Å²	36	47 Å²	47	16%	0.157	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-97.7	18.6	172.6	-58.6	-171.8	-178.4	-174.9	0	112.2	Y291 P292 G293 L295 Q296 Y514	Y291-K298 CarbonylContact C-O 3.47Å; Y291-K298 VanDerWaalsContact C-O 3.29Å; Y291-K298 WeakPolarHBondContact CA-O 3.17Å; P292-K298 WeakPolarHBondContact CD-O 3.34Å; P292-K298 HydrophobicContact CG-CB 3.94Å; P292-K298 HydrophobicContact CG-CD 4.02Å; G293-K298 PolarHBondContact N-O 3.12Å; L295-K298 HydrophobicContact CB-CG 4.4Å; L295-K298 CarbonylContact O-C 3.45Å; L295-K298 WeakPolarHBondContact O-CA 3.33Å; L295-K298 WeakPolarHBondContact O-CB 3.48Å; L295-K298 PolarHBondContact O-N 3.19Å; Q296-K298 PolarHBondContact O-N 3.13Å; K298-Y514 PolarHBondContact NZ-O 3.21Å
299	C	77	Confident	75.9	Confident	7 Å²	7	45.4 Å²	45.4	5%	0.047	22%	0.223	C	C	.	.	S	Bend	trans	-110.4	151.6	175.2	-59.7	0	0	0	0	111	H279 F280 L295 Q296 S301	H279-C299 HydrophobicContact CB-CB 3.72Å; F280-C299 CarbonylContact O-C 3.6Å; F280-C299 WeakPolarHBondContact O-CA 3.34Å; F280-C299 WeakPolarHBondContact O-CB 3.48Å; L295-C299 PolarHBondContact O-SG 2.94Å; Q296-C299 VanDerWaalsContact O-CB 3.28Å; Q296-C299 WeakPolarHBondContact O-CB 3.16Å; Q296-C299 PolarHBondContact O-N 2.82Å; Q296-C299 VanDerWaalsContact O-N 3.09Å; C299-S301 PolarHBondContact O-N 2.91Å; C299-S301 PolarHBondContact O-OG 2.92Å
300	F	81.1	Confident	77	Confident	25 Å²	25	45.4 Å²	45.4	11%	0.11	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	116	164.8	179	-109.1	0	0	0	108.8	H279 F280 Y291 V302 I448 Y450 L453 F454	H279-F300 WeakPolarHBondContact CA-O 3.34Å; F280-F300 HydrophobicContact CB-CB 4.38Å; F280-F300 HydrophobicContact CB-CD1 4.49Å; F280-F300 HydrophobicContact CD2-CD1 4.09Å; F280-F300 PolarHBondContact N-O 3.48Å; F280-F300 PolarHBondContact O-N 2.83Å; Y291-F300 HydrophobicContact CD1-CB 3.85Å; Y291-F300 HydrophobicContact CD2-CB 4.07Å; Y291-F300 HydrophobicContact CE1-CB 3.8Å; Y291-F300 HydrophobicContact CE1-CD2 4.24Å; Y291-F300 HydrophobicContact CE2-CB 4.03Å; Y291-F300 HydrophobicContact CE2-CD2 4.32Å; Y291-F300 HydrophobicContact CG-CB 3.97Å; Y291-F300 AromaticContact CZ-CD2 3.81Å; F300-V302 HydrophobicContact CD1-CG2 3.75Å; F300-V302 HydrophobicContact CE1-CG2 3.29Å; F300-V302 HydrophobicContact CZ-CG2 3.92Å; F300-I448 HydrophobicContact CE1-CD1 4.08Å; F300-I448 HydrophobicContact CE1-CG1 4.48Å; F300-I448 HydrophobicContact CZ-CD1 4.41Å; F300-I448 HydrophobicContact CZ-CG1 4.44Å; F300-Y450 AromaticContact CD1-CD2 3.68Å; F300-Y450 HydrophobicContact CD1-CD2 3.68Å; F300-Y450 HydrophobicContact CD1-CE2 4.25Å; F300-Y450 AromaticContact CE1-CD2 3.72Å; F300-Y450 HydrophobicContact CE1-CD2 3.72Å; F300-Y450 HydrophobicContact CE1-CG 4.44Å; F300-L453 HydrophobicContact CD2-CD1 3.54Å; F300-L453 HydrophobicContact CE2-CD1 3.25Å; F300-L453 HydrophobicContact CG-CD1 4.36Å; F300-L453 HydrophobicContact CZ-CD1 3.86Å; F300-F454 HydrophobicContact CB-CE2 3.62Å; F300-F454 HydrophobicContact CB-CZ 4.04Å; F300-F454 HydrophobicContact CD1-CE2 4.16Å; F300-F454 AromaticContact CG-CE2 3.98Å; F300-F454 HydrophobicContact CG-CE2 3.98Å
301	S	84.2	Confident	78	Confident	57 Å²	57	45.4 Å²	45.4	40%	0.399	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.3	-167.3	-57.6	0	0	0	0	111.4	L278 H279 C299	L278-S301 CarbonylContact O-C 3.52Å; L278-S301 VanDerWaalsContact O-CA 3.31Å; L278-S301 WeakPolarHBondContact O-CA 3.13Å; H279-S301 PolarHBondContact CE1-OG 3.43Å; H279-S301 PolarHBondContact ND1-OG 3.33Å; C299-S301 PolarHBondContact O-N 2.91Å; C299-S301 PolarHBondContact O-OG 2.92Å
302	V	84.9	Confident	78.6	Confident	9 Å²	9	45.6 Å²	45.6	6%	0.055	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	121.5	-170.3	-179.2	0	0	0	0	110.6	I277 L278 F280 F300 T304 I448	I277-V302 CarbonylContact C-O 3.52Å; I277-V302 VanDerWaalsContact CA-O 3.3Å; I277-V302 WeakPolarHBondContact CA-O 3.37Å; L278-V302 PolarHBondContact N-O 3.37Å; L278-V302 PolarHBondContact O-N 3.42Å; F280-V302 HydrophobicContact CD2-CG2 4.22Å; F280-V302 HydrophobicContact CE2-CB 4.44Å; F280-V302 HydrophobicContact CE2-CG2 4.08Å; F300-V302 HydrophobicContact CD1-CG2 3.75Å; F300-V302 HydrophobicContact CE1-CG2 3.29Å; F300-V302 HydrophobicContact CZ-CG2 3.92Å; V302-T304 PolarHBondContact O-N 3.38Å; V302-I448 HydrophobicContact CB-CD1 3.94Å; V302-I448 HydrophobicContact CG1-CD1 3.28Å; V302-I448 HydrophobicContact CG1-CG2 4.27Å; V302-I448 HydrophobicContact CG2-CD1 3.38Å
303	K	87.2	Confident	79.4	Confident	120 Å²	120	45.4 Å²	45.4	52%	0.522	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	111	171	-173.7	161.5	171.5	144.5	0	109.7	E225 S275	E225-K303 IonicContact OE2-NZ 3.6Å; E225-K303 PolarHBondContact OE2-NZ 2.85Å; S275-K303 WeakPolarHBondContact OG-CE 3.49Å; S275-K303 PolarHBondContact OG-NZ 3.42Å
304	T	88.3	Confident	80.3	Confident	8 Å²	8	45.1 Å²	45.1	5%	0.049	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	143.4	-176.8	179.3	0	0	0	0	112.4	L276 L278 V302 Y306 W310 E444	L276-T304 HydrophobicContact CB-CG2 3.85Å; L276-T304 HydrophobicContact CD2-CG2 3.96Å; L276-T304 HydrophobicContact CG-CG2 4.02Å; L276-T304 WeakPolarHBondContact O-CG2 3.34Å; L276-T304 PolarHBondContact O-N 2.66Å; L278-T304 HydrophobicContact CD1-CG2 4.03Å; L278-T304 HydrophobicContact CD2-CG2 4.23Å; L278-T304 HydrophobicContact CG-CG2 4.02Å; V302-T304 PolarHBondContact O-N 3.38Å; T304-Y306 PolarHBondContact OG1-N 3.46Å; T304-W310 HydrophobicContact CG2-CG 4.44Å; T304-W310 PolarHBondContact OG1-NE1 3.25Å; T304-E444 WeakPolarHBondContact CA-OE1 3.34Å; T304-E444 WeakPolarHBondContact CB-OE1 3.4Å; T304-E444 PolarHBondContact OG1-OE1 2.9Å; T304-E444 PolarHBondContact OG1-OE2 3.17Å
305	K	84.2	Confident	81.2	Confident	168 Å²	168	43.5 Å²	43.5	73%	0.73	21%	0.209	S	C	*	.	S	Bend	trans	-85.2	-16.2	168.6	-63.5	176.4	-175	169	0	112.2	E444	K305-E444 PolarHBondContact N-OE1 2.83Å
306	Y	86	Confident	82.1	Confident	83 Å²	83	40.2 Å²	40.2	33%	0.325	19%	0.192	S	C	.	.			trans	-110.5	44.3	-173.3	-58.3	-71.5	0	0	0	112.4	T304 V308 F309 W310 K440 L441 E444	T304-Y306 PolarHBondContact OG1-N 3.46Å; Y306-V308 PolarHBondContact O-N 3.32Å; Y306-V308 VanDerWaalsContact O-N 3.1Å; Y306-F309 HydrophobicContact CD1-CD2 4.12Å; Y306-F309 AromaticContact CD1-CE2 4Å; Y306-F309 HydrophobicContact CD1-CE2 4Å; Y306-F309 HydrophobicContact CG-CD2 4.34Å; Y306-F309 PolarHBondContact O-N 3.07Å; Y306-F309 VanDerWaalsContact O-N 3.09Å; Y306-W310 PolarHBondContact O-N 3.26Å; Y306-K440 HydrophobicContact CE1-CB 4.33Å; Y306-K440 HydrophobicContact CE1-CD 4.3Å; Y306-K440 HydrophobicContact CE2-CB 4.28Å; Y306-L441 HydrophobicContact CD2-CD2 4.13Å; Y306-L441 HydrophobicContact CG-CD2 4.05Å; Y306-E444 HydrophobicContact CD2-CB 4.32Å; Y306-E444 HydrophobicContact CE2-CB 4.31Å
307	Y	85.6	Confident	83	Confident	69 Å²	69	38.3 Å²	38.3	27%	0.271	18%	0.182	S	C	.	.	H	α-helix	trans	-54.6	-34	-173.6	64.3	-91.1	0	0	0	114.2	M311 L343	Y307-M311 WeakPolarHBondContact O-CB 3.36Å; Y307-M311 VanDerWaalsContact O-CG 3.26Å; Y307-M311 WeakPolarHBondContact O-CG 3.38Å; Y307-M311 PolarHBondContact O-N 3.05Å; Y307-L343 HydrophobicContact CD2-CB 4.02Å; Y307-L343 HydrophobicContact CD2-CD1 4.14Å; Y307-L343 HydrophobicContact CD2-CG 4.48Å; Y307-L343 HydrophobicContact CE2-CB 4.16Å
308	V	82.6	Confident	83.7	Confident	44 Å²	44	32.9 Å²	32.9	27%	0.267	15%	0.154	S	C	.	.	H	α-helix	trans	-61.8	-48	178.2	178.8	0	0	0	0	111.4	Y306 M311 Q312 W340	Y306-V308 PolarHBondContact O-N 3.32Å; Y306-V308 VanDerWaalsContact O-N 3.1Å; V308-M311 PolarHBondContact O-N 2.99Å; V308-Q312 WeakPolarHBondContact O-CG 3.36Å; V308-Q312 PolarHBondContact O-N 2.95Å; V308-W340 HydrophobicContact CB-CH2 4.46Å; V308-W340 HydrophobicContact CG1-CH2 3.69Å; V308-W340 HydrophobicContact CG1-CZ2 4.45Å; V308-W340 HydrophobicContact CG1-CZ3 4.33Å
309	F	85.8	Confident	84.2	Confident	40 Å²	40	31.2 Å²	31.2	18%	0.175	15%	0.146	C	C	.	.	H	α-helix	trans	-71.7	-39.6	-176.5	-54.9	-34.5	0	0	0	111.3	Y306 Q312 L313 Q437 L441	Y306-F309 HydrophobicContact CD1-CD2 4.12Å; Y306-F309 AromaticContact CD1-CE2 4Å; Y306-F309 HydrophobicContact CD1-CE2 4Å; Y306-F309 HydrophobicContact CG-CD2 4.34Å; Y306-F309 PolarHBondContact O-N 3.07Å; Y306-F309 VanDerWaalsContact O-N 3.09Å; F309-Q312 PolarHBondContact O-N 3.35Å; F309-L313 WeakPolarHBondContact O-CG 3.17Å; F309-L313 PolarHBondContact O-N 2.9Å; F309-Q437 HydrophobicContact CD1-CG 4.33Å; F309-Q437 HydrophobicContact CD2-CB 4.12Å; F309-Q437 HydrophobicContact CD2-CG 4.16Å; F309-Q437 VanDerWaalsContact CE1-CD 3.49Å; F309-Q437 HydrophobicContact CE1-CG 3.93Å; F309-Q437 HydrophobicContact CE2-CB 4.18Å; F309-Q437 HydrophobicContact CE2-CG 3.74Å; F309-Q437 HydrophobicContact CG-CB 4.35Å; F309-Q437 HydrophobicContact CG-CG 4.46Å; F309-Q437 HydrophobicContact CZ-CB 4.46Å; F309-Q437 HydrophobicContact CZ-CG 3.63Å; F309-Q437 VanDerWaalsContact CZ-NE2 3.34Å; F309-L441 HydrophobicContact CB-CD1 4.15Å; F309-L441 HydrophobicContact CB-CD2 4.18Å; F309-L441 HydrophobicContact CB-CG 4.49Å; F309-L441 HydrophobicContact CD2-CD2 4.43Å
310	W	88.7	Confident	84.2	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.7	-48.5	173.3	-82.5	111.3	0	0	0	111.7	L216 P219 L276 L278 F280 T304 Y306 Q312 L313 L314 L441 E444 L445	L216-W310 HydrophobicContact CD1-CH2 4.15Å; L216-W310 HydrophobicContact CD2-CH2 3.83Å; L216-W310 HydrophobicContact CD2-CZ3 3.97Å; L216-W310 HydrophobicContact CG-CH2 3.99Å; L216-W310 HydrophobicContact CG-CZ3 4.48Å; P219-W310 HydrophobicContact CG-CE3 4.48Å; P219-W310 HydrophobicContact CG-CZ3 4.41Å; L276-W310 HydrophobicContact CD2-CB 4.16Å; L278-W310 HydrophobicContact CD1-CD2 3.48Å; L278-W310 VanDerWaalsContact CD1-CD2 3.48Å; L278-W310 HydrophobicContact CD1-CE3 4.13Å; L278-W310 HydrophobicContact CD1-CG 3.71Å; L278-W310 HydrophobicContact CD1-CH2 4.41Å; L278-W310 HydrophobicContact CD1-CZ2 3.82Å; L278-W310 HydrophobicContact CD2-CB 4.23Å; L278-W310 HydrophobicContact CD2-CD2 4.35Å; L278-W310 HydrophobicContact CD2-CG 4.16Å; F280-W310 HydrophobicContact CE1-CH2 4.47Å; F280-W310 HydrophobicContact CZ-CH2 4.07Å; F280-W310 HydrophobicContact CZ-CZ2 4.47Å; T304-W310 HydrophobicContact CG2-CG 4.44Å; T304-W310 PolarHBondContact OG1-NE1 3.25Å; Y306-W310 PolarHBondContact O-N 3.26Å; W310-Q312 VanDerWaalsContact C-N 3.31Å; W310-Q312 PolarHBondContact O-N 3.12Å; W310-L313 HydrophobicContact CE3-CD1 4.38Å; W310-L313 WeakPolarHBondContact O-CB 3.48Å; W310-L313 PolarHBondContact O-N 2.84Å; W310-L313 VanDerWaalsContact O-N 3.17Å; W310-L314 VanDerWaalsContact O-CG 3.25Å; W310-L314 WeakPolarHBondContact O-CG 3.5Å; W310-L314 PolarHBondContact O-N 3.15Å; W310-L441 HydrophobicContact CD2-CD1 4.32Å; W310-L441 HydrophobicContact CG-CD2 4.46Å; W310-L441 HydrophobicContact CZ2-CB 4.33Å; W310-E444 PolarHBondContact NE1-OE2 2.7Å; W310-L445 HydrophobicContact CH2-CD1 4.29Å; W310-L445 HydrophobicContact CZ2-CD1 4.32Å; W310-L445 HydrophobicContact CZ2-CD2 4.27Å; W310-L445 HydrophobicContact CZ2-CG 4.34Å
311	M	85.5	Confident	83.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.5	-37.4	177.9	-74.2	-63.4	-65.2	0	0	112.9	I222 L276 Y307 V308 L314 I315 L336 L339 W340 L343	I222-M311 HydrophobicContact CD1-SD 3.79Å; L276-M311 HydrophobicContact CD2-CG 3.96Å; L276-M311 HydrophobicContact CD2-SD 4.22Å; Y307-M311 WeakPolarHBondContact O-CB 3.36Å; Y307-M311 VanDerWaalsContact O-CG 3.26Å; Y307-M311 WeakPolarHBondContact O-CG 3.38Å; Y307-M311 PolarHBondContact O-N 3.05Å; V308-M311 PolarHBondContact O-N 2.99Å; M311-L314 PolarHBondContact O-N 2.93Å; M311-L314 HydrophobicContact SD-CD1 4.49Å; M311-I315 VanDerWaalsContact O-CD1 3.26Å; M311-I315 WeakPolarHBondContact O-CD1 3.34Å; M311-I315 WeakPolarHBondContact O-CG1 3.5Å; M311-I315 PolarHBondContact O-N 3.18Å; M311-L336 HydrophobicContact CE-CB 4.12Å; M311-L336 HydrophobicContact CE-CD2 4.07Å; M311-L336 WeakPolarHBondContact CE-O 3.5Å; M311-L339 HydrophobicContact CE-CB 4.23Å; M311-W340 HydrophobicContact CB-CE3 3.36Å; M311-W340 HydrophobicContact CB-CZ3 3.46Å; M311-W340 VanDerWaalsContact CB-CZ3 3.46Å; M311-W340 HydrophobicContact CE-CB 4.09Å; M311-W340 HydrophobicContact CE-CE3 4.46Å; M311-W340 HydrophobicContact CG-CE3 3.93Å; M311-W340 HydrophobicContact CG-CZ3 4.4Å; M311-L343 HydrophobicContact CG-CD1 4.15Å
312	Q	85.8	Confident	83.2	Confident	16 Å²	16	35.4 Å²	35.4	8%	0.075	16%	0.159	C	C	.	.	H	α-helix	trans	-60.1	-49.1	172.5	-74.5	172.8	-27.7	0	0	111.2	V308 F309 W310 L314 I315 L316 W340 P433	V308-Q312 WeakPolarHBondContact O-CG 3.36Å; V308-Q312 PolarHBondContact O-N 2.95Å; F309-Q312 PolarHBondContact O-N 3.35Å; W310-Q312 VanDerWaalsContact C-N 3.31Å; W310-Q312 PolarHBondContact O-N 3.12Å; Q312-L314 VanDerWaalsContact C-N 3.31Å; Q312-L314 PolarHBondContact O-N 2.84Å; Q312-I315 PolarHBondContact O-N 3.19Å; Q312-L316 VanDerWaalsContact O-CG 3.3Å; Q312-L316 WeakPolarHBondContact O-CG 3.22Å; Q312-L316 PolarHBondContact O-N 3.3Å; Q312-W340 HydrophobicContact CG-CH2 4.27Å; Q312-W340 HydrophobicContact CG-CZ3 4.28Å; Q312-P433 HydrophobicContact CB-CG 4.35Å
313	L	86.6	Confident	82.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58	-42.5	176.3	-74	177.7	0	0	0	112.5	Y208 V212 L216 F309 W310 I315 L316 E317 P433 L438 L441	Y208-L313 HydrophobicContact CE1-CD2 4.04Å; V212-L313 HydrophobicContact CG1-CD2 4.18Å; V212-L313 HydrophobicContact CG2-CD2 4.18Å; L216-L313 HydrophobicContact CD2-CD1 3.46Å; L216-L313 VanDerWaalsContact CD2-CD1 3.46Å; F309-L313 WeakPolarHBondContact O-CG 3.17Å; F309-L313 PolarHBondContact O-N 2.9Å; W310-L313 HydrophobicContact CE3-CD1 4.38Å; W310-L313 WeakPolarHBondContact O-CB 3.48Å; W310-L313 PolarHBondContact O-N 2.84Å; W310-L313 VanDerWaalsContact O-N 3.17Å; L313-I315 VanDerWaalsContact C-N 3.35Å; L313-I315 PolarHBondContact O-N 3.3Å; L313-L316 PolarHBondContact O-N 3.2Å; L313-E317 VanDerWaalsContact O-CB 3.26Å; L313-E317 WeakPolarHBondContact O-CB 3.11Å; L313-E317 PolarHBondContact O-N 3.28Å; L313-P433 HydrophobicContact CD2-CG 3.83Å; L313-P433 HydrophobicContact CG-CG 3.98Å; L313-L438 HydrophobicContact CD1-CD2 4.19Å; L313-L438 HydrophobicContact CD2-CD2 4.23Å; L313-L441 HydrophobicContact CD1-CD1 3.4Å; L313-L441 VanDerWaalsContact CD1-CD1 3.4Å
314	L	86.6	Confident	81.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.7	-36.4	179.8	-67.3	177.4	0	0	0	112.7	I218 P219 I222 I236 W310 M311 Q312 E317 V318	I218-L314 HydrophobicContact CG2-CD2 3.75Å; P219-L314 HydrophobicContact CG-CD1 4.44Å; P219-L314 HydrophobicContact CG-CD2 3.93Å; I222-L314 HydrophobicContact CD1-CD1 4.03Å; I222-L314 HydrophobicContact CG2-CD1 3.59Å; I236-L314 HydrophobicContact CD1-CD1 3.69Å; I236-L314 HydrophobicContact CD1-CD2 3.3Å; I236-L314 HydrophobicContact CD1-CG 3.99Å; W310-L314 VanDerWaalsContact O-CG 3.25Å; W310-L314 WeakPolarHBondContact O-CG 3.5Å; W310-L314 PolarHBondContact O-N 3.15Å; M311-L314 PolarHBondContact O-N 2.93Å; M311-L314 HydrophobicContact SD-CD1 4.49Å; Q312-L314 VanDerWaalsContact C-N 3.31Å; Q312-L314 PolarHBondContact O-N 2.84Å; L314-E317 PolarHBondContact O-N 3.13Å; L314-V318 WeakPolarHBondContact O-CG2 3.2Å; L314-V318 PolarHBondContact O-N 3.44Å
315	I	83.1	Confident	80	Confident	0 Å²	0	43 Å²	43	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-67.7	-43.6	174.7	-67.2	158.9	0	0	0	110.5	M311 Q312 L313 E317 V318 Q319 M333 L336 F424 F425 A428 T429	M311-I315 VanDerWaalsContact O-CD1 3.26Å; M311-I315 WeakPolarHBondContact O-CD1 3.34Å; M311-I315 WeakPolarHBondContact O-CG1 3.5Å; M311-I315 PolarHBondContact O-N 3.18Å; Q312-I315 PolarHBondContact O-N 3.19Å; L313-I315 VanDerWaalsContact C-N 3.35Å; L313-I315 PolarHBondContact O-N 3.3Å; I315-E317 VanDerWaalsContact C-N 3.29Å; I315-E317 PolarHBondContact O-N 2.9Å; I315-V318 PolarHBondContact O-N 2.95Å; I315-Q319 WeakPolarHBondContact O-CG 3.22Å; I315-Q319 PolarHBondContact O-N 3.45Å; I315-M333 HydrophobicContact CG2-CE 4.3Å; I315-L336 HydrophobicContact CG1-CB 4.35Å; I315-L336 HydrophobicContact CG1-CD1 3.88Å; I315-F424 HydrophobicContact CD1-CE1 4.12Å; I315-F424 HydrophobicContact CD1-CE2 4Å; I315-F424 HydrophobicContact CD1-CZ 3.38Å; I315-F425 HydrophobicContact CG2-CD1 4.31Å; I315-F425 HydrophobicContact CG2-CE1 4.27Å; I315-A428 HydrophobicContact CB-CB 4.29Å; I315-A428 HydrophobicContact CD1-CB 3.49Å; I315-A428 VanDerWaalsContact CD1-CB 3.49Å; I315-A428 HydrophobicContact CG1-CB 4.48Å; I315-A428 HydrophobicContact CG2-CB 4Å; I315-T429 HydrophobicContact CG2-CG2 3.81Å
316	L	83.8	Confident	79.2	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.8	-41.5	175.2	-67.7	172.2	0	0	0	111.1	L205 Y208 M209 Q312 L313 Q319 F320 T429 Y432	L205-L316 HydrophobicContact CD1-CB 3.94Å; L205-L316 HydrophobicContact CD1-CD2 3.64Å; L205-L316 HydrophobicContact CD1-CG 4.33Å; Y208-L316 HydrophobicContact CD1-CD1 4.43Å; Y208-L316 HydrophobicContact CE1-CD1 3.97Å; M209-L316 HydrophobicContact SD-CB 3.79Å; Q312-L316 VanDerWaalsContact O-CG 3.3Å; Q312-L316 WeakPolarHBondContact O-CG 3.22Å; Q312-L316 PolarHBondContact O-N 3.3Å; L313-L316 PolarHBondContact O-N 3.2Å; L316-Q319 PolarHBondContact O-N 3.38Å; L316-F320 WeakPolarHBondContact O-CB 3.29Å; L316-F320 PolarHBondContact O-N 3.35Å; L316-T429 WeakPolarHBondContact CD2-O 3.1Å; L316-Y432 HydrophobicContact CD1-CD1 4.02Å; L316-Y432 HydrophobicContact CD1-CE1 4.48Å; L316-Y432 HydrophobicContact CD2-CD1 4.44Å; L316-Y432 HydrophobicContact CD2-CE1 4.21Å
317	E	83	Confident	78.2	Confident	2 Å²	2	35 Å²	35	1%	0.009	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-44	178.1	-178.4	74.5	165.1	0	0	112.7	M209 R213 I218 F237 L313 L314 I315 Q319 F320 H321	M209-E317 HydrophobicContact CE-CB 3.87Å; M209-E317 HydrophobicContact CE-CG 4.46Å; M209-E317 WeakPolarHBondContact CE-OE2 3.36Å; R213-E317 IonicContact CZ-OE1 2.75Å; R213-E317 IonicContact CZ-OE2 3.37Å; R213-E317 IonicContact NE-OE1 3.62Å; R213-E317 PolarHBondContact NE-OE1 2.69Å; R213-E317 IonicContact NE-OE2 3.79Å; R213-E317 PolarHBondContact NE-OE2 2.98Å; R213-E317 IonicContact NH2-OE1 3.64Å; R213-E317 PolarHBondContact NH2-OE1 3.43Å; R213-E317 IonicContact NH2-OE2 2.64Å; I218-E317 HydrophobicContact CG2-CG 4.09Å; F237-E317 HydrophobicContact CE1-CG 3.62Å; F237-E317 HydrophobicContact CZ-CG 3.44Å; F237-E317 VanDerWaalsContact CZ-CG 3.44Å; F237-E317 VanDerWaalsContact CZ-OE1 3.3Å; F237-E317 WeakPolarHBondContact CZ-OE1 3.38Å; L313-E317 VanDerWaalsContact O-CB 3.26Å; L313-E317 WeakPolarHBondContact O-CB 3.11Å; L313-E317 PolarHBondContact O-N 3.28Å; L314-E317 PolarHBondContact O-N 3.13Å; I315-E317 VanDerWaalsContact C-N 3.29Å; I315-E317 PolarHBondContact O-N 2.9Å; E317-Q319 VanDerWaalsContact C-N 3.31Å; E317-Q319 PolarHBondContact O-N 2.94Å; E317-F320 WeakPolarHBondContact O-CB 3.43Å; E317-F320 PolarHBondContact O-N 3.23Å; E317-H321 WeakPolarHBondContact O-CB 3.49Å; E317-H321 PolarHBondContact O-N 2.92Å
318	V	79.2	Confident	77.1	Confident	6 Å²	6	32.6 Å²	32.6	4%	0.036	16%	0.164	C	C	.	.	H	α-helix	trans	-63.6	-39.5	175.3	172.7	0	0	0	0	110.6	I236 L314 I315 F320 H321 H322 M333 L336	I236-V318 HydrophobicContact CG2-CG2 4.07Å; L314-V318 WeakPolarHBondContact O-CG2 3.2Å; L314-V318 PolarHBondContact O-N 3.44Å; I315-V318 PolarHBondContact O-N 2.95Å; V318-F320 VanDerWaalsContact C-N 3.33Å; V318-F320 PolarHBondContact O-N 2.95Å; V318-H321 PolarHBondContact O-N 3.31Å; V318-H322 PolarHBondContact O-CD2 3.21Å; V318-H322 PolarHBondContact O-N 3.14Å; V318-M333 HydrophobicContact CB-CE 3.72Å; V318-M333 HydrophobicContact CB-SD 4.25Å; V318-M333 HydrophobicContact CG1-CE 3.45Å; V318-M333 VanDerWaalsContact CG1-CE 3.45Å; V318-M333 HydrophobicContact CG1-SD 3.85Å; V318-L336 HydrophobicContact CB-CD1 4.49Å; V318-L336 HydrophobicContact CG2-CD1 3.91Å
319	Q	78.1	Confident	76.2	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-39.2	173.6	-70.9	-65.6	-8.6	0	0	112.3	H198 L205 I315 L316 E317 V326 M333 T429	H198-Q319 PolarHBondContact NE2-OE1 2.81Å; L205-Q319 HydrophobicContact CD2-CB 3.86Å; I315-Q319 WeakPolarHBondContact O-CG 3.22Å; I315-Q319 PolarHBondContact O-N 3.45Å; L316-Q319 PolarHBondContact O-N 3.38Å; E317-Q319 VanDerWaalsContact C-N 3.31Å; E317-Q319 PolarHBondContact O-N 2.94Å; Q319-V326 PolarHBondContact NE2-O 3.16Å; Q319-M333 HydrophobicContact CG-CE 3.57Å; Q319-M333 VanDerWaalsContact NE2-CE 3.29Å; Q319-T429 HydrophobicContact CG-CG2 4.06Å
320	F	77.3	Confident	75.3	Confident	13 Å²	13	36.5 Å²	36.5	6%	0.057	19%	0.186	C	C	.	.	H	α-helix	trans	-66.4	-45.2	177.5	174.9	-113.6	0	0	0	111.8	Y202 L205 M209 M210 L316 E317 V318 H322 T323	Y202-F320 PolarHBondContact OH-O 3.06Å; L205-F320 HydrophobicContact CD2-CB 4.45Å; L205-F320 HydrophobicContact CG-CB 4.49Å; M209-F320 HydrophobicContact CB-CB 4.27Å; M209-F320 HydrophobicContact CB-CD1 3.92Å; M209-F320 HydrophobicContact CB-CD2 4.09Å; M209-F320 HydrophobicContact CB-CE1 4.28Å; M209-F320 HydrophobicContact CB-CE2 4.43Å; M209-F320 HydrophobicContact CB-CG 3.82Å; M209-F320 HydrophobicContact CG-CB 3.87Å; M209-F320 HydrophobicContact CG-CD1 4.4Å; M209-F320 HydrophobicContact CG-CD2 4.47Å; M209-F320 HydrophobicContact CG-CG 4.01Å; M210-F320 HydrophobicContact SD-CZ 4.26Å; L316-F320 WeakPolarHBondContact O-CB 3.29Å; L316-F320 PolarHBondContact O-N 3.35Å; E317-F320 WeakPolarHBondContact O-CB 3.43Å; E317-F320 PolarHBondContact O-N 3.23Å; V318-F320 VanDerWaalsContact C-N 3.33Å; V318-F320 PolarHBondContact O-N 2.95Å; F320-H322 PolarHBondContact O-N 2.96Å; F320-T323 PolarHBondContact O-N 3.49Å
321	H	74.7	Confident	74.4	Confident	94 Å²	94	38.9 Å²	38.9	44%	0.435	20%	0.203	S	C	.	.	H	α-helix	trans	-66.2	-34.3	-176	-168.5	-71.7	0	0	0	113.6	F237 E317 V318 T323	F237-H321 AromaticContact CD1-CD2 3.94Å; E317-H321 WeakPolarHBondContact O-CB 3.49Å; E317-H321 PolarHBondContact O-N 2.92Å; V318-H321 PolarHBondContact O-N 3.31Å; H321-T323 VanDerWaalsContact C-N 3.31Å; H321-T323 PolarHBondContact O-N 3.03Å
322	H	69.2	Low	73.7	Confident	71 Å²	71	40 Å²	40	33%	0.329	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-9.7	-175.9	-85.9	-82.8	0	0	0	114.3	V318 F320 K324 V326 H330	V318-H322 PolarHBondContact O-CD2 3.21Å; V318-H322 PolarHBondContact O-N 3.14Å; F320-H322 PolarHBondContact O-N 2.96Å; H322-K324 PolarHBondContact O-N 3.24Å; H322-V326 HydrophobicContact CB-CG2 3.27Å; H322-V326 VanDerWaalsContact CG-CG2 3.49Å; H322-H330 AromaticContact CE1-CE1 3.66Å; H322-H330 AromaticContact CE1-NE2 3.77Å; H322-H330 AromaticContact NE2-CE1 3.75Å
323	T	63.4	Low	73.1	Confident	95 Å²	95	39.2 Å²	39.2	58%	0.583	21%	0.207	S	C	*	.	S	Bend	trans	56	-17.6	-176.3	67.7	0	0	0	0	116.6	F320 H321	F320-T323 PolarHBondContact O-N 3.49Å; H321-T323 VanDerWaalsContact C-N 3.31Å; H321-T323 PolarHBondContact O-N 3.03Å
324	K	66.8	Low	72.3	Confident	156 Å²	156	41.3 Å²	41.3	68%	0.678	22%	0.221	S	C	*	.	S	Bend	trans	-115.6	151.6	176.4	-67.2	-177.7	-178.9	178.9	0	108.9	H322 V326	H322-K324 PolarHBondContact O-N 3.24Å; K324-V326 PolarHBondContact O-N 2.88Å
325	P	64.2	Low	71.7	Confident	46 Å²	46	43.3 Å²	43.3	30%	0.299	23%	0.231	S	C	.	.			trans	-54.5	113.3	174.6	17.5	-28	0	0	0	112.4	I194 Q195 H198 H327	I194-P325 HydrophobicContact CG2-CB 3.77Å; Q195-P325 HydrophobicContact CB-CG 4.38Å; Q195-P325 HydrophobicContact CG-CB 4.21Å; Q195-P325 HydrophobicContact CG-CG 3.76Å; H198-P325 HydrophobicContact CB-CB 3.85Å; H198-P325 HydrophobicContact CB-CG 4.04Å; H198-P325 WeakPolarHBondContact CD2-CA 3.41Å; H198-P325 WeakPolarHBondContact NE2-CA 3.3Å; P325-H327 PolarHBondContact O-N 2.95Å
326	V	66.3	Low	71.6	Confident	6 Å²	6	43.5 Å²	43.5	4%	0.036	23%	0.233	C	C	.	.			trans	-83.8	107.8	176.2	-172.1	0	0	0	0	107.9	Q319 H322 K324 H330 M333	Q319-V326 PolarHBondContact NE2-O 3.16Å; H322-V326 HydrophobicContact CB-CG2 3.27Å; H322-V326 VanDerWaalsContact CG-CG2 3.49Å; K324-V326 PolarHBondContact O-N 2.88Å; V326-H330 HydrophobicContact CG1-CB 3.29Å; V326-M333 HydrophobicContact CB-CE 4.07Å; V326-M333 HydrophobicContact CB-CG 4.23Å; V326-M333 HydrophobicContact CG1-CE 4.21Å; V326-M333 HydrophobicContact CG1-CG 3.48Å; V326-M333 VanDerWaalsContact CG1-CG 3.48Å
327	H	65	Low	71.2	Confident	75 Å²	75	46 Å²	46	35%	0.347	24%	0.242	S	C	.	.			trans	-66	155.1	179	-172.5	-105	0	0	0	111.3	D192 P325 T329 H330	D192-H327 IonicContact OD2-CD2 3.32Å; D192-H327 PolarHBondContact OD2-CD2 2.93Å; D192-H327 VanDerWaalsContact OD2-CD2 3.32Å; P325-H327 PolarHBondContact O-N 2.95Å; H327-T329 PolarHBondContact ND1-N 3.48Å; H327-T329 PolarHBondContact ND1-OG1 3.1Å; H327-T329 PolarHBondContact O-N 3.23Å; H327-H330 WeakPolarHBondContact O-CB 3.27Å; H327-H330 PolarHBondContact O-N 3.43Å
328	I	63.4	Low	70.9	Confident	20 Å²	20	49.9 Å²	49.9	10%	0.103	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.5	-179.7	-178.1	163.9	0	0	0	114	H330 C334 Q421 F425	I328-H330 VanDerWaalsContact C-N 3.31Å; I328-C334 PolarHBondContact O-SG 3.49Å; I328-C334 VanDerWaalsContact O-SG 3.32Å; I328-Q421 HydrophobicContact CD1-CB 3.56Å; I328-Q421 HydrophobicContact CD1-CG 3.81Å; I328-Q421 WeakPolarHBondContact CD1-O 3.32Å; I328-F425 HydrophobicContact CB-CD2 4.06Å; I328-F425 HydrophobicContact CB-CE2 4.14Å; I328-F425 HydrophobicContact CD1-CD2 3.32Å; I328-F425 HydrophobicContact CD1-CE2 3.58Å; I328-F425 HydrophobicContact CD1-CG 4.39Å; I328-F425 HydrophobicContact CG1-CD2 3.53Å; I328-F425 HydrophobicContact CG1-CE2 3.37Å; I328-F425 HydrophobicContact CG1-CG 4.48Å; I328-F425 HydrophobicContact CG1-CZ 4.22Å
329	T	64.5	Low	70.9	Confident	103 Å²	103	49.8 Å²	49.8	63%	0.632	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-7.1	178.7	55.6	0	0	0	0	113.3	H327	H327-T329 PolarHBondContact ND1-N 3.48Å; H327-T329 PolarHBondContact ND1-OG1 3.1Å; H327-T329 PolarHBondContact O-N 3.23Å
330	H	66.7	Low	71	Confident	63 Å²	63	51.4 Å²	51.4	29%	0.292	27%	0.268	S	S	.	.	S	Bend	trans	-60.2	142.3	174.6	-166.1	-86.8	0	0	0	110	H322 V326 H327 I328 S332 M333 C334	H322-H330 AromaticContact CE1-CE1 3.66Å; H322-H330 AromaticContact CE1-NE2 3.77Å; H322-H330 AromaticContact NE2-CE1 3.75Å; V326-H330 HydrophobicContact CG1-CB 3.29Å; H327-H330 WeakPolarHBondContact O-CB 3.27Å; H327-H330 PolarHBondContact O-N 3.43Å; I328-H330 VanDerWaalsContact C-N 3.31Å; H330-S332 PolarHBondContact CE1-OG 2.84Å; H330-S332 VanDerWaalsContact CE1-OG 3.24Å; H330-S332 PolarHBondContact ND1-N 2.77Å; H330-S332 PolarHBondContact ND1-OG 3.44Å; H330-S332 PolarHBondContact O-N 2.9Å; H330-M333 HydrophobicContact CB-CB 4.35Å; H330-M333 HydrophobicContact CB-CG 4.43Å; H330-M333 PolarHBondContact O-N 3.11Å; H330-M333 VanDerWaalsContact O-N 3.09Å; H330-C334 PolarHBondContact O-N 2.93Å; H330-C334 PolarHBondContact O-SG 2.99Å; H330-C334 VanDerWaalsContact O-SG 3.34Å
331	S	69.2	Low	71	Confident	50 Å²	50	52.7 Å²	52.7	35%	0.35	28%	0.276	S	S	.	.	H	α-helix	trans	-57.1	-48.9	-175.1	52.8	0	0	0	0	112.2	M333 C334 L335	S331-M333 VanDerWaalsContact C-N 3.25Å; S331-M333 PolarHBondContact O-N 3.31Å; S331-C334 PolarHBondContact O-N 3.39Å; S331-L335 PolarHBondContact O-N 2.87Å; S331-L335 VanDerWaalsContact O-N 3.07Å
332	S	69.9	Low	71	Confident	22 Å²	22	51.4 Å²	51.4	15%	0.154	27%	0.27	C	S	.	.	H	α-helix	trans	-56.6	-38.2	176.5	-37.9	0	0	0	0	112.6	H330 L336	H330-S332 PolarHBondContact CE1-OG 2.84Å; H330-S332 VanDerWaalsContact CE1-OG 3.24Å; H330-S332 PolarHBondContact ND1-N 2.77Å; H330-S332 PolarHBondContact ND1-OG 3.44Å; H330-S332 PolarHBondContact O-N 2.9Å; S332-L336 PolarHBondContact O-N 2.75Å
333	M	73.5	Confident	71.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-79	-38.3	179.9	-71.6	-49.7	-165.9	0	0	113	I315 V318 Q319 V326 H330 S331 L335 L336 R337 F425	I315-M333 HydrophobicContact CG2-CE 4.3Å; V318-M333 HydrophobicContact CB-CE 3.72Å; V318-M333 HydrophobicContact CB-SD 4.25Å; V318-M333 HydrophobicContact CG1-CE 3.45Å; V318-M333 VanDerWaalsContact CG1-CE 3.45Å; V318-M333 HydrophobicContact CG1-SD 3.85Å; Q319-M333 HydrophobicContact CG-CE 3.57Å; Q319-M333 VanDerWaalsContact NE2-CE 3.29Å; V326-M333 HydrophobicContact CB-CE 4.07Å; V326-M333 HydrophobicContact CB-CG 4.23Å; V326-M333 HydrophobicContact CG1-CE 4.21Å; V326-M333 HydrophobicContact CG1-CG 3.48Å; V326-M333 VanDerWaalsContact CG1-CG 3.48Å; H330-M333 HydrophobicContact CB-CB 4.35Å; H330-M333 HydrophobicContact CB-CG 4.43Å; H330-M333 PolarHBondContact O-N 3.11Å; H330-M333 VanDerWaalsContact O-N 3.09Å; S331-M333 VanDerWaalsContact C-N 3.25Å; S331-M333 PolarHBondContact O-N 3.31Å; M333-L335 PolarHBondContact O-N 2.94Å; M333-L336 PolarHBondContact O-N 3.34Å; M333-L336 HydrophobicContact SD-CD1 4.18Å; M333-R337 VanDerWaalsContact O-CB 3.28Å; M333-R337 WeakPolarHBondContact O-CB 3.17Å; M333-R337 PolarHBondContact O-N 2.98Å; M333-F425 HydrophobicContact CB-CE1 3.84Å; M333-F425 HydrophobicContact CB-CZ 3.67Å; M333-F425 HydrophobicContact CE-CE1 4.45Å; M333-F425 HydrophobicContact CG-CE1 3.9Å; M333-F425 HydrophobicContact CG-CZ 4.27Å; M333-F425 HydrophobicContact SD-CE1 3.64Å; M333-F425 HydrophobicContact SD-CZ 4.28Å
334	C	70.2	Confident	71.6	Confident	44 Å²	44	45 Å²	45	30%	0.297	24%	0.235	S	C	.	.	H	α-helix	trans	-56.7	-42.1	173.3	-73.9	0	0	0	0	111	I328 H330 S331 R337 N338	I328-C334 PolarHBondContact O-SG 3.49Å; I328-C334 VanDerWaalsContact O-SG 3.32Å; H330-C334 PolarHBondContact O-N 2.93Å; H330-C334 PolarHBondContact O-SG 2.99Å; H330-C334 VanDerWaalsContact O-SG 3.34Å; S331-C334 PolarHBondContact O-N 3.39Å; C334-R337 PolarHBondContact O-N 3.32Å; C334-N338 PolarHBondContact O-N 2.81Å; C334-N338 PolarHBondContact O-ND2 3.44Å; C334-N338 PolarHBondContact O-OD1 3.18Å
335	L	75.2	Confident	71.3	Confident	42 Å²	42	40.8 Å²	40.8	22%	0.22	22%	0.22	C	C	.	.	H	α-helix	trans	-65.4	-50.4	178.9	173.3	142.9	0	0	0	112	A234 S331 M333 R337 N338 L339	A234-L335 HydrophobicContact CB-CD1 3.74Å; A234-L335 HydrophobicContact CB-CD2 3.17Å; A234-L335 HydrophobicContact CB-CG 3.86Å; S331-L335 PolarHBondContact O-N 2.87Å; S331-L335 VanDerWaalsContact O-N 3.07Å; M333-L335 PolarHBondContact O-N 2.94Å; L335-R337 PolarHBondContact O-N 3.42Å; L335-N338 PolarHBondContact O-N 2.85Å; L335-N338 VanDerWaalsContact O-N 3.09Å; L335-L339 HydrophobicContact CD2-CD1 3.97Å; L335-L339 HydrophobicContact CG-CD1 4.46Å; L335-L339 WeakPolarHBondContact O-CG 3.21Å; L335-L339 PolarHBondContact O-N 3.47Å
336	L	80.4	Confident	70.5	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-59.9	-37.8	177.6	-71.1	178.4	0	0	0	111.8	I222 M311 I315 V318 S332 M333 L339 W340	I222-L336 HydrophobicContact CD1-CD2 3.79Å; M311-L336 HydrophobicContact CE-CB 4.12Å; M311-L336 HydrophobicContact CE-CD2 4.07Å; M311-L336 WeakPolarHBondContact CE-O 3.5Å; I315-L336 HydrophobicContact CG1-CB 4.35Å; I315-L336 HydrophobicContact CG1-CD1 3.88Å; V318-L336 HydrophobicContact CB-CD1 4.49Å; V318-L336 HydrophobicContact CG2-CD1 3.91Å; S332-L336 PolarHBondContact O-N 2.75Å; M333-L336 PolarHBondContact O-N 3.34Å; M333-L336 HydrophobicContact SD-CD1 4.18Å; L336-L339 PolarHBondContact O-N 2.99Å; L336-W340 WeakPolarHBondContact O-CB 3.42Å; L336-W340 PolarHBondContact O-N 3.31Å
337	R	75.9	Confident	69.3	Low	52 Å²	52	43.1 Å²	43.1	20%	0.196	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-42.7	175.9	-175.9	-170.3	173.1	-146.6	-17.8	112.3	M333 C334 L335 L339 W340 N341 Q421 F424 F425	M333-R337 VanDerWaalsContact O-CB 3.28Å; M333-R337 WeakPolarHBondContact O-CB 3.17Å; M333-R337 PolarHBondContact O-N 2.98Å; C334-R337 PolarHBondContact O-N 3.32Å; L335-R337 PolarHBondContact O-N 3.42Å; R337-L339 VanDerWaalsContact C-N 3.33Å; R337-W340 PolarHBondContact O-N 3.26Å; R337-N341 PolarHBondContact O-N 3.15Å; R337-N341 PolarHBondContact O-ND2 3.41Å; R337-N341 VanDerWaalsContact O-ND2 3.09Å; R337-Q421 VanDerWaalsContact NH1-CG 3.27Å; R337-Q421 VanDerWaalsContact NH1-NE2 3.12Å; R337-F424 HydrophobicContact CB-CD1 4.22Å; R337-F424 HydrophobicContact CB-CE1 3.77Å; R337-F424 HydrophobicContact CG-CD1 3.76Å; R337-F424 HydrophobicContact CG-CE1 3.81Å; R337-F425 HydrophobicContact CB-CE2 4.01Å; R337-F425 HydrophobicContact CB-CZ 4.2Å; R337-F425 HydrophobicContact CG-CE2 4.19Å
338	N	75.4	Confident	67.6	Low	84 Å²	84	44.4 Å²	44.4	45%	0.449	24%	0.242	S	C	.	.	H	α-helix	trans	-61.2	-47.1	177.8	-71.7	-15.8	0	0	0	109.8	C334 L335 W340 N341 E342	C334-N338 PolarHBondContact O-N 2.81Å; C334-N338 PolarHBondContact O-ND2 3.44Å; C334-N338 PolarHBondContact O-OD1 3.18Å; L335-N338 PolarHBondContact O-N 2.85Å; L335-N338 VanDerWaalsContact O-N 3.09Å; N338-W340 PolarHBondContact O-N 3.34Å; N338-N341 PolarHBondContact O-N 3.4Å; N338-N341 VanDerWaalsContact O-N 3.15Å; N338-E342 WeakPolarHBondContact O-CG 3.33Å; N338-E342 PolarHBondContact O-N 3.27Å
339	L	80.2	Confident	65.9	Low	4 Å²	4	49.7 Å²	49.7	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-43.2	176.2	-62.8	176.3	0	0	0	112.4	I222 V224 V232 A234 M311 L335 L336 R337 N341 E342 L343	I222-L339 HydrophobicContact CD1-CD1 3.46Å; I222-L339 VanDerWaalsContact CD1-CD1 3.46Å; I222-L339 HydrophobicContact CG1-CD1 3.86Å; V224-L339 HydrophobicContact CB-CD2 3.98Å; V224-L339 HydrophobicContact CG2-CB 3.93Å; V224-L339 HydrophobicContact CG2-CD2 3.68Å; V224-L339 HydrophobicContact CG2-CG 4.27Å; V232-L339 HydrophobicContact CB-CD2 3.89Å; V232-L339 HydrophobicContact CG1-CD2 3.69Å; A234-L339 HydrophobicContact CB-CD1 3.82Å; M311-L339 HydrophobicContact CE-CB 4.23Å; L335-L339 HydrophobicContact CD2-CD1 3.97Å; L335-L339 HydrophobicContact CG-CD1 4.46Å; L335-L339 WeakPolarHBondContact O-CG 3.21Å; L335-L339 PolarHBondContact O-N 3.47Å; L336-L339 PolarHBondContact O-N 2.99Å; R337-L339 VanDerWaalsContact C-N 3.33Å; L339-N341 PolarHBondContact O-N 3.04Å; L339-E342 PolarHBondContact O-N 2.57Å; L339-L343 WeakPolarHBondContact O-CG 3.41Å; L339-L343 PolarHBondContact O-N 2.6Å
340	W	80.2	Confident	64.2	Low	34 Å²	34	49 Å²	49	13%	0.129	26%	0.258	C	S	.	.	H	α-helix	trans	-59.9	-44.6	174.3	-179.2	-81.9	0	0	0	112.6	V308 M311 Q312 L336 R337 N338 E342 L343 T344 F424	V308-W340 HydrophobicContact CB-CH2 4.46Å; V308-W340 HydrophobicContact CG1-CH2 3.69Å; V308-W340 HydrophobicContact CG1-CZ2 4.45Å; V308-W340 HydrophobicContact CG1-CZ3 4.33Å; M311-W340 HydrophobicContact CB-CE3 3.36Å; M311-W340 HydrophobicContact CB-CZ3 3.46Å; M311-W340 VanDerWaalsContact CB-CZ3 3.46Å; M311-W340 HydrophobicContact CE-CB 4.09Å; M311-W340 HydrophobicContact CE-CE3 4.46Å; M311-W340 HydrophobicContact CG-CE3 3.93Å; M311-W340 HydrophobicContact CG-CZ3 4.4Å; Q312-W340 HydrophobicContact CG-CH2 4.27Å; Q312-W340 HydrophobicContact CG-CZ3 4.28Å; L336-W340 WeakPolarHBondContact O-CB 3.42Å; L336-W340 PolarHBondContact O-N 3.31Å; R337-W340 PolarHBondContact O-N 3.26Å; N338-W340 PolarHBondContact O-N 3.34Å; W340-E342 VanDerWaalsContact C-N 3.32Å; W340-E342 PolarHBondContact O-N 2.88Å; W340-L343 PolarHBondContact O-N 3.33Å; W340-T344 HydrophobicContact CD2-CG2 4.35Å; W340-T344 HydrophobicContact CG-CG2 4.43Å; W340-T344 HydrophobicContact CZ2-CG2 4.4Å; W340-T344 WeakPolarHBondContact O-CB 3.34Å; W340-T344 WeakPolarHBondContact O-CG2 3.44Å; W340-T344 PolarHBondContact O-N 2.99Å; W340-T344 PolarHBondContact O-OG1 2.81Å; W340-F424 HydrophobicContact CB-CE2 3.78Å; W340-F424 HydrophobicContact CB-CZ 3.66Å; W340-F424 AromaticContact CD1-CD2 3.64Å; W340-F424 AromaticContact CD1-CE2 3.51Å; W340-F424 AromaticContact CD2-CD2 3.91Å; W340-F424 HydrophobicContact CD2-CD2 3.91Å; W340-F424 AromaticContact CD2-CE2 3.13Å; W340-F424 HydrophobicContact CD2-CE2 3.13Å; W340-F424 AromaticContact CD2-CZ 3.87Å; W340-F424 HydrophobicContact CD2-CZ 3.87Å; W340-F424 AromaticContact CE2-CD2 3.72Å; W340-F424 AromaticContact CE2-CE2 3.41Å; W340-F424 VanDerWaalsContact CE2-CE2 3.41Å; W340-F424 AromaticContact CE3-CE2 3.56Å; W340-F424 HydrophobicContact CE3-CE2 3.56Å; W340-F424 HydrophobicContact CE3-CZ 4.12Å; W340-F424 AromaticContact CG-CD2 3.84Å; W340-F424 HydrophobicContact CG-CD2 3.84Å; W340-F424 AromaticContact CG-CE2 3.2Å; W340-F424 HydrophobicContact CG-CE2 3.2Å; W340-F424 AromaticContact CG-CZ 3.64Å; W340-F424 HydrophobicContact CG-CZ 3.64Å; W340-F424 HydrophobicContact CH2-CE2 4.33Å; W340-F424 HydrophobicContact CZ2-CD2 4.29Å; W340-F424 HydrophobicContact CZ2-CE2 4.04Å; W340-F424 HydrophobicContact CZ3-CE2 4.13Å; W340-F424 AromaticContact NE1-CD2 3.6Å; W340-F424 AromaticContact NE1-CE2 3.65Å
341	N	75.7	Confident	62.3	Low	41 Å²	41	52.3 Å²	52.3	22%	0.219	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-40	179	-67.3	-33.2	0	0	0	110.6	R337 N338 L339 T344 N345	R337-N341 PolarHBondContact O-N 3.15Å; R337-N341 PolarHBondContact O-ND2 3.41Å; R337-N341 VanDerWaalsContact O-ND2 3.09Å; N338-N341 PolarHBondContact O-N 3.4Å; N338-N341 VanDerWaalsContact O-N 3.15Å; L339-N341 PolarHBondContact O-N 3.04Å; N341-T344 PolarHBondContact O-N 2.8Å; N341-N345 WeakPolarHBondContact O-CA 3.23Å; N341-N345 WeakPolarHBondContact O-CB 3.32Å; N341-N345 PolarHBondContact O-N 2.89Å; N341-N345 PolarHBondContact O-ND2 3.36Å; N341-N345 VanDerWaalsContact O-ND2 3.09Å
342	E	74.9	Confident	60.3	Low	67 Å²	67	53.5 Å²	53.5	31%	0.313	29%	0.286	S	S	.	.	H	α-helix	trans	-60.7	-47.7	174.9	-64.4	-61.9	124.3	0	0	111.2	V224 K226 N338 L339 W340 T344	V224-E342 HydrophobicContact CG1-CB 4.26Å; K226-E342 WeakPolarHBondContact CD-OE2 3.42Å; K226-E342 WeakPolarHBondContact CE-OE2 3.39Å; K226-E342 IonicContact NZ-OE1 3.99Å; K226-E342 IonicContact NZ-OE2 2.75Å; K226-E342 PolarHBondContact NZ-OE2 3.07Å; N338-E342 WeakPolarHBondContact O-CG 3.33Å; N338-E342 PolarHBondContact O-N 3.27Å; L339-E342 PolarHBondContact O-N 2.57Å; W340-E342 VanDerWaalsContact C-N 3.32Å; W340-E342 PolarHBondContact O-N 2.88Å; E342-T344 VanDerWaalsContact C-N 3.32Å; E342-T344 PolarHBondContact O-N 3.17Å
343	L	75.1	Confident	58.3	Low	7 Å²	7	58.2 Å²	58.2	4%	0.037	32%	0.317	C	S	.	.	H	α-helix	trans	-63.2	-33.9	178.8	-68.4	166.8	0	0	0	113.4	V224 L276 Y307 M311 L339 W340	V224-L343 HydrophobicContact CG1-CD2 3.96Å; V224-L343 HydrophobicContact CG1-CG 4.21Å; V224-L343 HydrophobicContact CG2-CD1 4.05Å; V224-L343 HydrophobicContact CG2-CD2 4.14Å; V224-L343 HydrophobicContact CG2-CG 3.97Å; L276-L343 HydrophobicContact CB-CD1 4.18Å; L276-L343 HydrophobicContact CB-CD2 4.14Å; L276-L343 HydrophobicContact CD1-CD1 4.25Å; L276-L343 HydrophobicContact CD2-CD1 4.4Å; Y307-L343 HydrophobicContact CD2-CB 4.02Å; Y307-L343 HydrophobicContact CD2-CD1 4.14Å; Y307-L343 HydrophobicContact CD2-CG 4.48Å; Y307-L343 HydrophobicContact CE2-CB 4.16Å; M311-L343 HydrophobicContact CG-CD1 4.15Å; L339-L343 WeakPolarHBondContact O-CG 3.41Å; L339-L343 PolarHBondContact O-N 2.6Å; W340-L343 PolarHBondContact O-N 3.33Å
344	T	70.5	Confident	56	Low	23 Å²	23	63 Å²	63	14%	0.141	35%	0.351	C	S	.	.	H	α-helix	trans	-98.9	-26.9	-175.2	55.5	0	0	0	0	114.3	W340 N341 E342 E346 S347 L348	W340-T344 HydrophobicContact CD2-CG2 4.35Å; W340-T344 HydrophobicContact CG-CG2 4.43Å; W340-T344 HydrophobicContact CZ2-CG2 4.4Å; W340-T344 WeakPolarHBondContact O-CB 3.34Å; W340-T344 WeakPolarHBondContact O-CG2 3.44Å; W340-T344 PolarHBondContact O-N 2.99Å; W340-T344 PolarHBondContact O-OG1 2.81Å; N341-T344 PolarHBondContact O-N 2.8Å; E342-T344 VanDerWaalsContact C-N 3.32Å; E342-T344 PolarHBondContact O-N 3.17Å; T344-E346 VanDerWaalsContact C-N 3.26Å; T344-E346 PolarHBondContact O-N 3.28Å; T344-S347 WeakPolarHBondContact O-CA 3.2Å; T344-S347 WeakPolarHBondContact O-CB 2.97Å; T344-S347 PolarHBondContact O-N 3.31Å; T344-S347 PolarHBondContact O-OG 3.04Å; T344-L348 PolarHBondContact O-N 3.19Å; T344-L348 VanDerWaalsContact O-N 3.14Å
345	N	60.9	Low	53.9	Low	68 Å²	68	63.6 Å²	63.6	36%	0.364	36%	0.364	S	S	.	.	H	α-helix	trans	-65.6	-30.4	179.4	-76.3	-24.9	0	0	0	111.8	N341 S347 L348 H349	N341-N345 WeakPolarHBondContact O-CA 3.23Å; N341-N345 WeakPolarHBondContact O-CB 3.32Å; N341-N345 PolarHBondContact O-N 2.89Å; N341-N345 PolarHBondContact O-ND2 3.36Å; N341-N345 VanDerWaalsContact O-ND2 3.09Å; N345-S347 VanDerWaalsContact C-N 3.29Å; N345-S347 PolarHBondContact O-N 3.11Å; N345-L348 WeakPolarHBondContact O-CB 3.12Å; N345-L348 PolarHBondContact O-N 2.89Å; N345-L348 VanDerWaalsContact O-N 3.1Å; N345-H349 PolarHBondContact O-CD2 2.82Å; N345-H349 PolarHBondContact O-N 3.41Å
346	E	48.3	Very low	51.8	Low	45 Å²	45	67 Å²	67	21%	0.21	39%	0.392	C	S	.	.	H	α-helix	trans	-66.9	-32.2	171.7	-76.5	-176.1	173.9	0	0	112.5	S227 S274 T344 L348 H349 N350	S227-E346 WeakPolarHBondContact CB-OE1 3.36Å; S227-E346 PolarHBondContact OG-OE1 3.03Å; S274-E346 WeakPolarHBondContact CA-OE2 3.35Å; S274-E346 VanDerWaalsContact CB-OE2 3.29Å; S274-E346 WeakPolarHBondContact CB-OE2 3.16Å; S274-E346 PolarHBondContact N-OE2 2.64Å; S274-E346 PolarHBondContact OG-OE1 3.25Å; S274-E346 PolarHBondContact OG-OE2 2.9Å; T344-E346 VanDerWaalsContact C-N 3.26Å; T344-E346 PolarHBondContact O-N 3.28Å; E346-L348 VanDerWaalsContact C-N 3.29Å; E346-L348 PolarHBondContact O-N 3Å; E346-H349 PolarHBondContact O-N 2.92Å; E346-N350 PolarHBondContact O-N 2.89Å; E346-N350 PolarHBondContact O-ND2 2.78Å
347	S	39.6	Very low	49.1	Very low	57 Å²	57	74.5 Å²	74.5	40%	0.399	43%	0.432	S	S	.	.	H	α-helix	trans	-68.4	-28.8	170.6	76.7	0	0	0	0	112.4	T344 N345 N350	T344-S347 WeakPolarHBondContact O-CA 3.2Å; T344-S347 WeakPolarHBondContact O-CB 2.97Å; T344-S347 PolarHBondContact O-N 3.31Å; T344-S347 PolarHBondContact O-OG 3.04Å; N345-S347 VanDerWaalsContact C-N 3.29Å; N345-S347 PolarHBondContact O-N 3.11Å; S347-N350 WeakPolarHBondContact O-CB 3.35Å
348	L	30	Very low	46.9	Very low	101 Å²	101	77.6 Å²	77.6	53%	0.529	46%	0.459	S	S	.	.	H	α-helix	trans	-78.3	-33.7	175.5	-89.8	154.4	0	0	0	113.1	T344 N345 E346 N350 L351	T344-L348 PolarHBondContact O-N 3.19Å; T344-L348 VanDerWaalsContact O-N 3.14Å; N345-L348 WeakPolarHBondContact O-CB 3.12Å; N345-L348 PolarHBondContact O-N 2.89Å; N345-L348 VanDerWaalsContact O-N 3.1Å; E346-L348 VanDerWaalsContact C-N 3.29Å; E346-L348 PolarHBondContact O-N 3Å; L348-N350 PolarHBondContact O-N 2.71Å; L348-L351 PolarHBondContact O-N 3.18Å
349	H	28.4	Very low	44.6	Very low	132 Å²	132	80 Å²	80	61%	0.611	47%	0.472	S	S	*	.	H	α-helix	trans	-62.2	-25	172.1	-86.9	-69.9	0	0	0	112.4	N345 E346 L351 S352	N345-H349 PolarHBondContact O-CD2 2.82Å; N345-H349 PolarHBondContact O-N 3.41Å; E346-H349 PolarHBondContact O-N 2.92Å; H349-L351 PolarHBondContact O-N 3.1Å; H349-S352 PolarHBondContact O-N 2.98Å; H349-S352 PolarHBondContact O-OG 3.09Å
350	N	28.2	Very low	42.4	Very low	88 Å²	88	85.5 Å²	85.5	47%	0.471	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-16.5	172.1	-73.6	-49.2	0	0	0	114.5	K271 E346 S347 L348	K271-N350 WeakPolarHBondContact CE-OD1 3.33Å; K271-N350 PolarHBondContact NZ-OD1 3.11Å; E346-N350 PolarHBondContact O-N 2.89Å; E346-N350 PolarHBondContact O-ND2 2.78Å; S347-N350 WeakPolarHBondContact O-CB 3.35Å; L348-N350 PolarHBondContact O-N 2.71Å
351	L	27.5	Very low	40	Very low	132 Å²	132	91.3 Å²	91.3	69%	0.691	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-11.7	176.9	-78.4	161.8	0	0	0	113.5	L348 H349	L348-L351 PolarHBondContact O-N 3.18Å; H349-L351 PolarHBondContact O-N 3.1Å
352	S	27.6	Very low	37.7	Very low	76 Å²	76	99.4 Å²	99.4	53%	0.531	57%	0.574	S	S	.	*	S	Bend	trans	-98.7	-2.9	-179	45.2	0	0	0	0	114.8	H349 S354	H349-S352 PolarHBondContact O-N 2.98Å; H349-S352 PolarHBondContact O-OG 3.09Å; S352-S354 VanDerWaalsContact C-N 3.34Å
353	C	25.9	Very low	35.5	Very low	120 Å²	120	100.6 Å²	100.6	81%	0.811	60%	0.595	S	S	*	*	S	Bend	trans	-91.3	9.1	175.6	-66	0	0	0	0	113.9
354	S	25.8	Very low	33.1	Very low	101 Å²	101	111.1 Å²	111.1	71%	0.706	64%	0.635	S	S	*	*	S	Bend	trans	-100.5	95.2	164	61.8	0	0	0	0	109.6	S352	S352-S354 VanDerWaalsContact C-N 3.34Å
355	G	27.3	Very low	31.1	Very low	56 Å²	56	113.5 Å²	113.5	58%	0.577	67%	0.665	S	S	*	*	S	Bend	trans	117.2	120	158.7	0	0	0	0	0	115.1
356	S	29.4	Very low	29.4	Very low	114 Å²	114	116.3 Å²	116.3	80%	0.797	68%	0.684	S	S	*	*			trans	69.3	97.7	162.4	44.7	0	0	0	0	117.1	P358	S356-P358 WeakPolarHBondContact O-CD 3.47Å; S356-P358 VanDerWaalsContact O-N 3.16Å
357	D	24.5	Very low	28.4	Very low	163 Å²	163	119.2 Å²	119.2	87%	0.872	71%	0.709	S	S	*	*			trans	-39.6	110.4	151.4	-64.7	-56.9	0	0	0	111.3	N359	D357-N359 PolarHBondContact O-N 3.29Å
358	P	30	Very low	27.9	Very low	117 Å²	117	121.8 Å²	121.8	76%	0.76	73%	0.725	S	S	*	*			trans	-87.1	95.5	160.2	15.7	4.2	0	0	0	106.1	S356 P360	S356-P358 WeakPolarHBondContact O-CD 3.47Å; S356-P358 VanDerWaalsContact O-N 3.16Å; P358-P360 VanDerWaalsContact O-N 3.17Å
359	N	27.3	Very low	27.7	Very low	135 Å²	135	123.4 Å²	123.4	72%	0.722	74%	0.743	S	S	*	*			trans	-39.3	116.5	172.8	-154.3	-10	0	0	0	110.8	D357 L361	D357-N359 PolarHBondContact O-N 3.29Å; N359-L361 PolarHBondContact O-N 2.96Å
360	P	33.5	Very low	27.7	Very low	119 Å²	119	122.8 Å²	122.8	77%	0.773	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	12	-163.9	-16.9	30.6	0	0	0	116.7	P358	P358-P360 VanDerWaalsContact O-N 3.17Å
361	L	29.4	Very low	27.6	Very low	156 Å²	156	129.5 Å²	129.5	82%	0.817	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	20.4	-165.9	-85.7	158.3	0	0	0	116.1	N359	N359-L361 PolarHBondContact O-N 2.96Å
362	K	27.9	Very low	27.7	Very low	211 Å²	211	129.7 Å²	129.7	92%	0.917	77%	0.774	S	S	*	*	S	Bend	trans	-129.2	67.3	171.6	-78.9	-172.9	176.6	178.8	0	112.9
363	A	28.2	Very low	27.7	Very low	91 Å²	91	132.8 Å²	132.8	75%	0.752	78%	0.784	S	S	*	*			trans	-154.1	6.6	162.9	0	0	0	0	0	116.3	G365	A363-G365 PolarHBondContact O-N 3.34Å
364	Y	26.2	Very low	27.7	Very low	228 Å²	228	136.6 Å²	136.6	89%	0.894	79%	0.787	S	S	*	*			trans	-98.6	65.3	169.2	-80.6	-85.3	0	0	0	110.5	V366	Y364-V366 VanDerWaalsContact C-N 3.3Å; Y364-V366 PolarHBondContact O-N 3.35Å; Y364-V366 VanDerWaalsContact O-N 3.1Å
365	G	27.5	Very low	28	Very low	74 Å²	74	136.5 Å²	136.5	76%	0.763	79%	0.792	S	S	*	*			trans	-74.2	89.6	161.2	0	0	0	0	0	108.3	A363 S367	A363-G365 PolarHBondContact O-N 3.34Å; G365-S367 PolarHBondContact O-N 3.06Å
366	V	25.5	Very low	27.9	Very low	126 Å²	126	140 Å²	140	76%	0.764	80%	0.803	S	S	*	*			trans	-57.5	102	168.6	176.4	0	0	0	0	107.6	Y364 P368	Y364-V366 VanDerWaalsContact C-N 3.3Å; Y364-V366 PolarHBondContact O-N 3.35Å; Y364-V366 VanDerWaalsContact O-N 3.1Å; V366-P368 WeakPolarHBondContact O-CD 3.24Å
367	S	27.4	Very low	27.8	Very low	106 Å²	106	140 Å²	140	74%	0.741	80%	0.803	S	S	*	*			trans	-70.2	119.7	171.4	-174.1	0	0	0	0	108	G365 C369	G365-S367 PolarHBondContact O-N 3.06Å; S367-C369 PolarHBondContact O-N 3.1Å
368	P	29.1	Very low	28	Very low	112 Å²	112	135.7 Å²	135.7	73%	0.727	80%	0.797	S	S	*	*			trans	-70.5	132.6	-178.8	-3.8	17.8	0	0	0	110.2	V366 S370	V366-P368 WeakPolarHBondContact O-CD 3.24Å; P368-S370 PolarHBondContact O-N 2.73Å
369	C	24.4	Very low	28.2	Very low	135 Å²	135	136.3 Å²	136.3	91%	0.912	80%	0.801	S	S	*	*			trans	-55.6	111.4	167.9	-67.2	0	0	0	0	111	S367	S367-C369 PolarHBondContact O-N 3.1Å
370	S	30.2	Very low	28.1	Very low	118 Å²	118	139.1 Å²	139.1	83%	0.825	81%	0.81	S	S	*	*			trans	-107.2	106.3	158.6	73.1	0	0	0	0	110.1	P368	P368-S370 PolarHBondContact O-N 2.73Å
371	R	25.5	Very low	27.7	Very low	230 Å²	230	138.7 Å²	138.7	87%	0.868	81%	0.807	S	S	*	*			trans	-52.1	142.6	162.9	-93.1	174.8	179.1	166	0.7	112
372	N	28.8	Very low	27.6	Very low	136 Å²	136	138 Å²	138	73%	0.727	80%	0.803	S	S	*	*			trans	152.7	108	131.5	-81.9	-20.6	0	0	0	109.2
373	N	27.4	Very low	27.4	Very low	140 Å²	140	139 Å²	139	75%	0.749	80%	0.802	S	S	*	*				81.6	115.6	82.4	-80.6	-17.9	0	0	0	114
374	K	27.3	Very low	27.3	Very low	201 Å²	201	137.9 Å²	137.9	87%	0.874	80%	0.8	S	S	*	*			trans	68.9	107.5	150.9	-62.3	-177.2	175.5	-176.2	0	118.7
375	A	31.4	Very low	27.6	Very low	98 Å²	98	132.9 Å²	132.9	81%	0.81	80%	0.798	S	S	*	*			trans	-165.7	88.5	136.1	0	0	0	0	0	110.6
376	T	26.2	Very low	27.7	Very low	130 Å²	130	135 Å²	135	80%	0.798	80%	0.799	S	S	*	*			trans	9.8	116.7	138.3	-32.3	0	0	0	0	118.6
377	S	26.1	Very low	27.7	Very low	114 Å²	114	137.2 Å²	137.2	80%	0.797	81%	0.805	S	S	*	*			trans	4.1	129.3	142.5	57.3	0	0	0	0	120.1
378	G	29.6	Very low	27.7	Very low	72 Å²	72	143.1 Å²	143.1	74%	0.742	81%	0.811	S	S	*	*			trans	-171.9	123.9	154.8	0	0	0	0	0	110.4
379	P	33.6	Very low	27.6	Very low	130 Å²	130	146.1 Å²	146.1	84%	0.844	82%	0.815	S	S	*	*			trans	-87.5	130.7	-176.8	33.7	-28.9	0	0	0	110.5	P381	P379-P381 WeakPolarHBondContact O-CD 3.2Å
380	E	25.5	Very low	27.9	Very low	195 Å²	195	145.3 Å²	145.3	91%	0.911	81%	0.808	S	S	*	*			trans	-102.5	111.8	168.8	-133.3	-179.8	-171.3	0	0	108.8
381	P	25.5	Very low	27.7	Very low	110 Å²	110	149 Å²	149	71%	0.714	81%	0.813	S	S	*	*			trans	-92	127.6	171.2	32.4	-25.1	0	0	0	111.2	P379	P379-P381 WeakPolarHBondContact O-CD 3.2Å
382	I	26.7	Very low	27.7	Very low	141 Å²	141	145.4 Å²	145.4	72%	0.723	81%	0.809	S	S	*	*			trans	9	121.1	138.1	-48.9	171	0	0	0	115.4
383	Y	23.9	Very low	27.4	Very low	232 Å²	232	146.9 Å²	146.9	91%	0.91	82%	0.816	S	S	*	*				170.1	141.6	120.3	-99.5	-76.1	0	0	0	111.5
384	G	25.3	Very low	27.4	Very low	68 Å²	68	148.1 Å²	148.1	70%	0.701	82%	0.821	S	S	*	*			trans	121	92.6	150.2	0	0	0	0	0	117
385	S	32.1	Very low	27.3	Very low	122 Å²	122	141.8 Å²	141.8	85%	0.853	81%	0.813	S	S	*	*			trans	-51.8	144.4	148.8	-57.7	0	0	0	0	109.6
386	P	30.5	Very low	27.1	Very low	120 Å²	120	147 Å²	147	78%	0.779	82%	0.817	S	S	*	*				-149.6	141.8	97.3	32.8	-13.4	0	0	0	116	R388	P386-R388 PolarHBondContact O-N 2.91Å
387	L	26.3	Very low	27.1	Very low	171 Å²	171	149.2 Å²	149.2	90%	0.895	82%	0.818	S	S	*	*			trans	-29	115.2	153.6	-68.2	147.4	0	0	0	115.1
388	R	27	Very low	27.1	Very low	231 Å²	231	151 Å²	151	87%	0.872	82%	0.819	S	S	*	*			trans	-156.5	99.9	144	-75.8	-156	178.2	163.1	-0.3	108	P386	P386-R388 PolarHBondContact O-N 2.91Å
389	Q	27.1	Very low	27	Very low	175 Å²	175	157.4 Å²	157.4	82%	0.818	82%	0.822	S	S	*	*				103.7	131.1	98	-94.9	-168.3	-12.7	0	0	110	E391	Q389-E391 PolarHBondContact O-N 3.31Å
390	P	29.9	Very low	26.7	Very low	118 Å²	118	157.2 Å²	157.2	77%	0.766	82%	0.818	S	S	*	*			trans	-87.7	97.8	-165.3	33.8	-27.8	0	0	0	109.4	I392	P390-I392 PolarHBondContact O-N 3.17Å
391	E	26.5	Very low	26.9	Very low	195 Å²	195	156 Å²	156	91%	0.911	81%	0.813	S	S	*	*			trans	-78.2	116.9	168.7	-80.8	-177.3	166.5	0	0	110.1	Q389 L393	Q389-E391 PolarHBondContact O-N 3.31Å; E391-L393 PolarHBondContact O-N 2.73Å
392	I	24.9	Very low	27.3	Very low	154 Å²	154	155.9 Å²	155.9	79%	0.79	81%	0.814	S	S	*	*			trans	-64.2	115.7	-175.6	-67.5	161.5	0	0	0	109.4	P390 I394	P390-I392 PolarHBondContact O-N 3.17Å; I392-I394 PolarHBondContact O-N 3.08Å
393	L	23.9	Very low	27.6	Very low	167 Å²	167	158.1 Å²	158.1	87%	0.874	82%	0.819	S	S	*	*			trans	9	92.7	142.1	-89.6	149.7	0	0	0	115.9	E391	E391-L393 PolarHBondContact O-N 2.73Å
394	I	26.6	Very low	28	Very low	166 Å²	166	151.5 Å²	151.5	85%	0.851	80%	0.802	S	S	*	*			trans	-132.9	122.4	148.7	-58.3	-178.7	0	0	0	107.9	I392	I392-I394 PolarHBondContact O-N 3.08Å
395	G	25.4	Very low	28.3	Very low	69 Å²	69	152 Å²	152	71%	0.711	80%	0.795	S	S	*	*			trans	-57.5	138	-158.2	0	0	0	0	0	115.4
396	K	27.3	Very low	28.4	Very low	206 Å²	206	149 Å²	149	90%	0.896	78%	0.778	S	S	*	*			trans	-154.7	98.9	149.1	-106.5	162.8	-171.4	-178.5	0	108.7	L398	K396-L398 PolarHBondContact O-N 3.06Å
397	Q	25.5	Very low	28.2	Very low	177 Å²	177	152.9 Å²	152.9	83%	0.827	78%	0.777	S	S	*	*			trans	-54.3	107.3	167.6	-177.8	178.2	20.3	0	0	109.9
398	L	26.1	Very low	28.4	Very low	153 Å²	153	149.1 Å²	149.1	80%	0.801	76%	0.758	S	S	*	*			trans	-152.6	88.3	161	-100.1	167.1	0	0	0	110.1	K396 T400	K396-L398 PolarHBondContact O-N 3.06Å; L398-T400 PolarHBondContact O-N 2.77Å
399	Y	26.9	Very low	28.8	Very low	206 Å²	206	140.7 Å²	140.7	81%	0.808	73%	0.734	S	S	*	*			trans	19.1	97.4	141.9	-79.5	-93.8	0	0	0	118.2
400	T	28.8	Very low	29.1	Very low	126 Å²	126	138.7 Å²	138.7	77%	0.773	73%	0.729	S	S	*	*			trans	-135.5	26.6	155.7	44.4	0	0	0	0	113.1	L398 S402	L398-T400 PolarHBondContact O-N 2.77Å; T400-S402 PolarHBondContact O-N 2.83Å
401	E	29.5	Very low	29.2	Very low	169 Å²	169	139.3 Å²	139.3	79%	0.79	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	1.4	-179.3	-75.7	-168.5	151.9	0	0	115.7	K403	E401-K403 PolarHBondContact O-N 2.99Å
402	S	34	Very low	29.7	Very low	107 Å²	107	134.1 Å²	134.1	75%	0.748	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-6.3	-176.3	59.1	0	0	0	0	115.4	T400	T400-S402 PolarHBondContact O-N 2.83Å
403	K	31.8	Very low	30.2	Very low	189 Å²	189	133.9 Å²	133.9	82%	0.822	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-15.1	174	-80.7	-175.1	177.5	177.8	0	115.5	E401	E401-K403 PolarHBondContact O-N 2.99Å
404	V	31.9	Very low	31.3	Very low	92 Å²	92	128.6 Å²	128.6	56%	0.558	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-18.5	179.5	-178	0	0	0	0	112.6	A406	V404-A406 PolarHBondContact O-N 3.18Å
405	S	32.8	Very low	31.7	Very low	80 Å²	80	127.7 Å²	127.7	56%	0.559	66%	0.661	S	S	*	*	H	α-helix	trans	-72	-25.1	-178.9	73.6	0	0	0	0	114	S409	S405-S409 PolarHBondContact O-N 3.11Å
406	A	33.8	Very low	32.5	Very low	59 Å²	59	131.9 Å²	131.9	49%	0.488	66%	0.66	S	S	.	*	H	α-helix	trans	-70.6	-37	179.7	0	0	0	0	0	112.9	V404	V404-A406 PolarHBondContact O-N 3.18Å
407	W	26.9	Very low	33.2	Very low	201 Å²	201	129.3 Å²	129.3	76%	0.761	65%	0.648	S	S	*	*	H	α-helix	trans	-77	-31.3	179.9	-96.5	48.1	0	0	0	113.3	K411	W407-K411 PolarHBondContact O-N 3.36Å
408	N	30.7	Very low	33.8	Very low	92 Å²	92	129.5 Å²	129.5	49%	0.492	64%	0.641	S	S	.	*	H	α-helix	trans	-77.2	-24.4	177.7	-73.7	-26.5	0	0	0	113.2	K411 T412	N408-K411 PolarHBondContact O-N 2.8Å; N408-T412 PolarHBondContact O-N 3.39Å; N408-T412 PolarHBondContact O-OG1 2.86Å
409	S	34.9	Very low	34.5	Very low	53 Å²	53	130 Å²	130	37%	0.371	64%	0.637	S	S	.	*	H	α-helix	trans	-65.1	-40.9	172	172.3	0	0	0	0	112.5	S405 T412 K413	S405-S409 PolarHBondContact O-N 3.11Å; S409-T412 WeakPolarHBondContact CA-OG1 3.47Å; S409-T412 PolarHBondContact O-OG1 3.28Å; S409-K413 PolarHBondContact O-N 2.81Å; S409-K413 VanDerWaalsContact O-N 3.08Å
410	L	32.4	Very low	35.3	Very low	134 Å²	134	129.7 Å²	129.7	70%	0.702	64%	0.635	S	S	*	*	H	α-helix	trans	-68.9	-38.5	175.5	-98.2	99	0	0	0	112.4	S414	L410-S414 WeakPolarHBondContact O-CB 3.38Å; L410-S414 PolarHBondContact O-N 3.18Å; L410-S414 PolarHBondContact O-OG 3.4Å
411	K	33.4	Very low	36.2	Very low	130 Å²	130	126.1 Å²	126.1	57%	0.565	61%	0.609	S	S	*	*	H	α-helix	trans	-70.8	-31.3	176.7	-79.5	-176.3	178.4	176.2	0	113.4	W407 N408 S414 K415	W407-K411 PolarHBondContact O-N 3.36Å; N408-K411 PolarHBondContact O-N 2.8Å; K411-S414 WeakPolarHBondContact CA-OG 3.35Å; K411-S414 PolarHBondContact O-OG 2.8Å; K411-K415 WeakPolarHBondContact O-CB 3.38Å; K411-K415 WeakPolarHBondContact O-CG 3.41Å; K411-K415 PolarHBondContact O-N 3.29Å
412	T	36.8	Very low	37.1	Very low	87 Å²	87	120.9 Å²	120.9	53%	0.534	59%	0.591	S	S	.	*	H	α-helix	trans	-77.6	-37.9	177	43.5	0	0	0	0	112.4	N408 S409 S414 K415 K416	N408-T412 PolarHBondContact O-N 3.39Å; N408-T412 PolarHBondContact O-OG1 2.86Å; S409-T412 WeakPolarHBondContact CA-OG1 3.47Å; S409-T412 PolarHBondContact O-OG1 3.28Å; T412-S414 VanDerWaalsContact C-N 3.34Å; T412-K415 PolarHBondContact O-N 3.15Å; T412-K416 PolarHBondContact O-N 2.76Å
413	K	36.1	Very low	38.3	Very low	149 Å²	149	118.5 Å²	118.5	65%	0.648	58%	0.575	S	S	*	*	H	α-helix	trans	-62.7	-40	170.2	-76.1	-176.3	178.2	178.3	0	111.6	S409 K416 K417	S409-K413 PolarHBondContact O-N 2.81Å; S409-K413 VanDerWaalsContact O-N 3.08Å; K413-K416 PolarHBondContact O-N 3.4Å; K413-K417 PolarHBondContact O-N 2.76Å
414	S	45.7	Very low	39.7	Very low	56 Å²	56	110.3 Å²	110.3	39%	0.392	54%	0.539	S	S	.	.	H	α-helix	trans	-67.7	-39.2	176.7	75.6	0	0	0	0	112.4	L410 K411 T412 K417 R418	L410-S414 WeakPolarHBondContact O-CB 3.38Å; L410-S414 PolarHBondContact O-N 3.18Å; L410-S414 PolarHBondContact O-OG 3.4Å; K411-S414 WeakPolarHBondContact CA-OG 3.35Å; K411-S414 PolarHBondContact O-OG 2.8Å; T412-S414 VanDerWaalsContact C-N 3.34Å; S414-K417 PolarHBondContact O-N 2.64Å; S414-R418 WeakPolarHBondContact O-CB 3.48Å; S414-R418 PolarHBondContact O-N 2.83Å
415	K	36.3	Very low	41.2	Very low	146 Å²	146	106.2 Å²	106.2	64%	0.635	51%	0.514	S	S	*	.	H	α-helix	trans	-65	-41.2	173.3	-78.8	-175.8	178.8	-178.4	0	112.9	K411 T412 R418 K419	K411-K415 WeakPolarHBondContact O-CB 3.38Å; K411-K415 WeakPolarHBondContact O-CG 3.41Å; K411-K415 PolarHBondContact O-N 3.29Å; T412-K415 PolarHBondContact O-N 3.15Å; K415-R418 PolarHBondContact O-N 3.34Å; K415-K419 WeakPolarHBondContact O-CB 3.29Å; K415-K419 WeakPolarHBondContact O-CG 3.3Å; K415-K419 PolarHBondContact O-N 3.24Å
416	K	41.6	Very low	42.8	Very low	158 Å²	158	108 Å²	108	69%	0.687	51%	0.512	S	S	*	.	H	α-helix	trans	-64	-43	174.3	-102.8	-177.5	178.1	177.2	0	111.8	T412 K413 K419 R420	T412-K416 PolarHBondContact O-N 2.76Å; K413-K416 PolarHBondContact O-N 3.4Å; K416-K419 PolarHBondContact O-N 2.83Å; K416-R420 PolarHBondContact O-N 3.09Å; K416-R420 VanDerWaalsContact O-N 3.11Å
417	K	41.3	Very low	44.3	Very low	151 Å²	151	108.7 Å²	108.7	66%	0.657	51%	0.507	S	S	*	.	H	α-helix	trans	-63.2	-44.2	174	-83.4	-172.6	175.4	-176.9	0	111.8	K413 S414 R420 Q421	K413-K417 PolarHBondContact O-N 2.76Å; S414-K417 PolarHBondContact O-N 2.64Å; K417-R420 PolarHBondContact O-N 3.18Å; K417-Q421 VanDerWaalsContact O-CB 3.26Å; K417-Q421 WeakPolarHBondContact O-CB 3.38Å; K417-Q421 VanDerWaalsContact O-CG 3.3Å; K417-Q421 WeakPolarHBondContact O-CG 3.48Å; K417-Q421 PolarHBondContact O-N 3.31Å
418	R	38	Very low	46.1	Very low	181 Å²	181	99.2 Å²	99.2	68%	0.683	47%	0.471	S	S	*	.	H	α-helix	trans	-62.5	-39.9	175	-84.6	-171.4	178.7	-177.9	0.4	112.9	S414 K415 Q421 S422	S414-R418 WeakPolarHBondContact O-CB 3.48Å; S414-R418 PolarHBondContact O-N 2.83Å; K415-R418 PolarHBondContact O-N 3.34Å; R418-Q421 VanDerWaalsContact O-CB 3.3Å; R418-Q421 WeakPolarHBondContact O-CB 3.45Å; R418-Q421 PolarHBondContact O-N 2.91Å; R418-S422 WeakPolarHBondContact O-CB 3.27Å; R418-S422 PolarHBondContact O-N 3.19Å
419	K	41.3	Very low	47.9	Very low	164 Å²	164	95.3 Å²	95.3	71%	0.713	45%	0.451	S	S	*	.	H	α-helix	trans	-62.8	-44.4	175	-79.9	-171.8	176.9	-170.6	0	112.1	K415 K416 S422 S423	K415-K419 WeakPolarHBondContact O-CB 3.29Å; K415-K419 WeakPolarHBondContact O-CG 3.3Å; K415-K419 PolarHBondContact O-N 3.24Å; K416-K419 PolarHBondContact O-N 2.83Å; K419-S422 PolarHBondContact O-N 3.41Å; K419-S423 WeakPolarHBondContact O-CB 3.14Å; K419-S423 PolarHBondContact O-N 3.49Å
420	R	43.9	Very low	49.4	Very low	199 Å²	199	95.9 Å²	95.9	75%	0.751	45%	0.447	S	S	*	.	H	α-helix	trans	-64.5	-40.7	175.3	-71.6	-175.9	177.7	-176.6	-1.5	112.1	K416 K417 S423 F424	K416-R420 PolarHBondContact O-N 3.09Å; K416-R420 VanDerWaalsContact O-N 3.11Å; K417-R420 PolarHBondContact O-N 3.18Å; R420-S423 PolarHBondContact O-N 3.43Å; R420-F424 PolarHBondContact O-N 3.38Å; R420-F424 VanDerWaalsContact O-N 3.11Å
421	Q	47.3	Very low	51.1	Low	51 Å²	51	91.8 Å²	91.8	24%	0.238	43%	0.43	C	S	.	.	H	α-helix	trans	-57.4	-51	174.5	-90.8	174.5	8.9	0	0	113.1	I328 R337 K417 R418 S423	I328-Q421 HydrophobicContact CD1-CB 3.56Å; I328-Q421 HydrophobicContact CD1-CG 3.81Å; I328-Q421 WeakPolarHBondContact CD1-O 3.32Å; R337-Q421 VanDerWaalsContact NH1-CG 3.27Å; R337-Q421 VanDerWaalsContact NH1-NE2 3.12Å; K417-Q421 VanDerWaalsContact O-CB 3.26Å; K417-Q421 WeakPolarHBondContact O-CB 3.38Å; K417-Q421 VanDerWaalsContact O-CG 3.3Å; K417-Q421 WeakPolarHBondContact O-CG 3.48Å; K417-Q421 PolarHBondContact O-N 3.31Å; R418-Q421 VanDerWaalsContact O-CB 3.3Å; R418-Q421 WeakPolarHBondContact O-CB 3.45Å; R418-Q421 PolarHBondContact O-N 2.91Å; Q421-S423 VanDerWaalsContact C-N 3.32Å
422	S	48.5	Very low	53.2	Low	59 Å²	59	88.6 Å²	88.6	41%	0.413	41%	0.414	S	S	.	.	H	α-helix	trans	-64.2	-38.7	176.3	177.3	0	0	0	0	111	R418 K419 F424 F426	R418-S422 WeakPolarHBondContact O-CB 3.27Å; R418-S422 PolarHBondContact O-N 3.19Å; K419-S422 PolarHBondContact O-N 3.41Å; S422-F424 PolarHBondContact O-N 3.34Å; S422-F426 WeakPolarHBondContact O-CB 3.34Å; S422-F426 PolarHBondContact O-N 3.07Å
423	S	60.2	Low	55.2	Low	58 Å²	58	84.6 Å²	84.6	41%	0.406	39%	0.39	S	S	.	.	H	α-helix	trans	-62.4	-42.4	179.2	-173	0	0	0	0	113.4	K419 R420 Q421 I427	K419-S423 WeakPolarHBondContact O-CB 3.14Å; K419-S423 PolarHBondContact O-N 3.49Å; R420-S423 PolarHBondContact O-N 3.43Å; Q421-S423 VanDerWaalsContact C-N 3.32Å; S423-I427 VanDerWaalsContact O-CB 3.32Å; S423-I427 WeakPolarHBondContact O-CB 3.34Å; S423-I427 VanDerWaalsContact O-CD1 3.3Å; S423-I427 WeakPolarHBondContact O-CD1 3.46Å; S423-I427 WeakPolarHBondContact O-CG1 2.88Å; S423-I427 PolarHBondContact O-N 2.92Å
424	F	61	Low	57.2	Low	17 Å²	17	81 Å²	81	8%	0.075	38%	0.381	C	S	.	.	H	α-helix	trans	-62.8	-53.6	179.8	164.8	-112.8	0	0	0	111.6	I315 R337 W340 R420 S422 I427 A428	I315-F424 HydrophobicContact CD1-CE1 4.12Å; I315-F424 HydrophobicContact CD1-CE2 4Å; I315-F424 HydrophobicContact CD1-CZ 3.38Å; R337-F424 HydrophobicContact CB-CD1 4.22Å; R337-F424 HydrophobicContact CB-CE1 3.77Å; R337-F424 HydrophobicContact CG-CD1 3.76Å; R337-F424 HydrophobicContact CG-CE1 3.81Å; W340-F424 HydrophobicContact CB-CE2 3.78Å; W340-F424 HydrophobicContact CB-CZ 3.66Å; W340-F424 AromaticContact CD1-CD2 3.64Å; W340-F424 AromaticContact CD1-CE2 3.51Å; W340-F424 AromaticContact CD2-CD2 3.91Å; W340-F424 HydrophobicContact CD2-CD2 3.91Å; W340-F424 AromaticContact CD2-CE2 3.13Å; W340-F424 HydrophobicContact CD2-CE2 3.13Å; W340-F424 AromaticContact CD2-CZ 3.87Å; W340-F424 HydrophobicContact CD2-CZ 3.87Å; W340-F424 AromaticContact CE2-CD2 3.72Å; W340-F424 AromaticContact CE2-CE2 3.41Å; W340-F424 VanDerWaalsContact CE2-CE2 3.41Å; W340-F424 AromaticContact CE3-CE2 3.56Å; W340-F424 HydrophobicContact CE3-CE2 3.56Å; W340-F424 HydrophobicContact CE3-CZ 4.12Å; W340-F424 AromaticContact CG-CD2 3.84Å; W340-F424 HydrophobicContact CG-CD2 3.84Å; W340-F424 AromaticContact CG-CE2 3.2Å; W340-F424 HydrophobicContact CG-CE2 3.2Å; W340-F424 AromaticContact CG-CZ 3.64Å; W340-F424 HydrophobicContact CG-CZ 3.64Å; W340-F424 HydrophobicContact CH2-CE2 4.33Å; W340-F424 HydrophobicContact CZ2-CD2 4.29Å; W340-F424 HydrophobicContact CZ2-CE2 4.04Å; W340-F424 HydrophobicContact CZ3-CE2 4.13Å; W340-F424 AromaticContact NE1-CD2 3.6Å; W340-F424 AromaticContact NE1-CE2 3.65Å; R420-F424 PolarHBondContact O-N 3.38Å; R420-F424 VanDerWaalsContact O-N 3.11Å; S422-F424 PolarHBondContact O-N 3.34Å; F424-I427 PolarHBondContact O-N 2.92Å; F424-A428 HydrophobicContact CE2-CB 4.31Å; F424-A428 WeakPolarHBondContact O-CB 3.22Å; F424-A428 PolarHBondContact O-N 3.25Å
425	F	62.6	Low	58.8	Low	6 Å²	6	86 Å²	86	3%	0.026	40%	0.396	C	S	.	.	H	α-helix	trans	-64.8	-42.4	179.6	-85.2	-84.2	0	0	0	111.7	I315 I328 M333 R337 I427 A428 T429	I315-F425 HydrophobicContact CG2-CD1 4.31Å; I315-F425 HydrophobicContact CG2-CE1 4.27Å; I328-F425 HydrophobicContact CB-CD2 4.06Å; I328-F425 HydrophobicContact CB-CE2 4.14Å; I328-F425 HydrophobicContact CD1-CD2 3.32Å; I328-F425 HydrophobicContact CD1-CE2 3.58Å; I328-F425 HydrophobicContact CD1-CG 4.39Å; I328-F425 HydrophobicContact CG1-CD2 3.53Å; I328-F425 HydrophobicContact CG1-CE2 3.37Å; I328-F425 HydrophobicContact CG1-CG 4.48Å; I328-F425 HydrophobicContact CG1-CZ 4.22Å; M333-F425 HydrophobicContact CB-CE1 3.84Å; M333-F425 HydrophobicContact CB-CZ 3.67Å; M333-F425 HydrophobicContact CE-CE1 4.45Å; M333-F425 HydrophobicContact CG-CE1 3.9Å; M333-F425 HydrophobicContact CG-CZ 4.27Å; M333-F425 HydrophobicContact SD-CE1 3.64Å; M333-F425 HydrophobicContact SD-CZ 4.28Å; R337-F425 HydrophobicContact CB-CE2 4.01Å; R337-F425 HydrophobicContact CB-CZ 4.2Å; R337-F425 HydrophobicContact CG-CE2 4.19Å; F425-I427 VanDerWaalsContact C-N 3.31Å; F425-I427 PolarHBondContact O-N 2.93Å; F425-A428 PolarHBondContact O-N 3.47Å; F425-A428 VanDerWaalsContact O-N 3.17Å; F425-T429 WeakPolarHBondContact O-CB 3.36Å; F425-T429 WeakPolarHBondContact O-CG2 3.19Å; F425-T429 PolarHBondContact O-N 2.98Å; F425-T429 PolarHBondContact O-OG1 3Å
426	F	65.8	Low	61.1	Low	116 Å²	116	85.3 Å²	85.3	51%	0.509	40%	0.395	S	S	.	.	H	α-helix	trans	-56.6	-46.9	175.5	-177.2	-93.8	0	0	0	111.2	S422 H430	S422-F426 WeakPolarHBondContact O-CB 3.34Å; S422-F426 PolarHBondContact O-N 3.07Å; F426-H430 AromaticContact CD2-CD2 3.47Å; F426-H430 VanDerWaalsContact CD2-CD2 3.47Å; F426-H430 WeakPolarHBondContact CD2-CD2 3.26Å; F426-H430 AromaticContact CD2-NE2 3.9Å; F426-H430 AromaticContact CE2-CD2 3.32Å; F426-H430 WeakPolarHBondContact CE2-CD2 3.25Å; F426-H430 AromaticContact CE2-NE2 3.46Å; F426-H430 WeakPolarHBondContact CE2-NE2 3.4Å; F426-H430 AromaticContact CZ-CD2 3.81Å; F426-H430 VanDerWaalsContact O-CB 3.25Å; F426-H430 WeakPolarHBondContact O-CB 3.49Å; F426-H430 PolarHBondContact O-N 2.92Å
427	I	64.8	Low	63.1	Low	75 Å²	75	79.9 Å²	79.9	39%	0.385	37%	0.372	S	S	.	.	H	α-helix	trans	-63	-48.4	176.2	-68.6	163.9	0	0	0	110.1	S423 F424 F425 S431	S423-I427 VanDerWaalsContact O-CB 3.32Å; S423-I427 WeakPolarHBondContact O-CB 3.34Å; S423-I427 VanDerWaalsContact O-CD1 3.3Å; S423-I427 WeakPolarHBondContact O-CD1 3.46Å; S423-I427 WeakPolarHBondContact O-CG1 2.88Å; S423-I427 PolarHBondContact O-N 2.92Å; F424-I427 PolarHBondContact O-N 2.92Å; F425-I427 VanDerWaalsContact C-N 3.31Å; F425-I427 PolarHBondContact O-N 2.93Å; I427-S431 WeakPolarHBondContact O-CA 3.43Å; I427-S431 WeakPolarHBondContact O-CB 3.47Å; I427-S431 PolarHBondContact O-N 3.2Å; I427-S431 PolarHBondContact O-OG 3.01Å
428	A	65.8	Low	65.2	Low	1 Å²	1	73.3 Å²	73.3	1%	0.008	34%	0.344	C	S	.	.	H	α-helix	trans	-67.5	-38.8	-175	0	0	0	0	0	113.8	I315 F424 F425	I315-A428 HydrophobicContact CB-CB 4.29Å; I315-A428 HydrophobicContact CD1-CB 3.49Å; I315-A428 VanDerWaalsContact CD1-CB 3.49Å; I315-A428 HydrophobicContact CG1-CB 4.48Å; I315-A428 HydrophobicContact CG2-CB 4Å; F424-A428 HydrophobicContact CE2-CB 4.31Å; F424-A428 WeakPolarHBondContact O-CB 3.22Å; F424-A428 PolarHBondContact O-N 3.25Å; F425-A428 PolarHBondContact O-N 3.47Å; F425-A428 VanDerWaalsContact O-N 3.17Å
429	T	67.8	Low	67.4	Low	11 Å²	11	66.4 Å²	66.4	7%	0.067	33%	0.329	C	S	.	.	H	α-helix	trans	-84.7	-25.7	-177.9	62.9	0	0	0	0	113	F197 I315 L316 Q319 F425	F197-T429 WeakPolarHBondContact CZ-O 3.23Å; I315-T429 HydrophobicContact CG2-CG2 3.81Å; L316-T429 WeakPolarHBondContact CD2-O 3.1Å; Q319-T429 HydrophobicContact CG-CG2 4.06Å; F425-T429 WeakPolarHBondContact O-CB 3.36Å; F425-T429 WeakPolarHBondContact O-CG2 3.19Å; F425-T429 PolarHBondContact O-N 2.98Å; F425-T429 PolarHBondContact O-OG1 3Å
430	H	67	Low	69.6	Low	65 Å²	65	62.1 Å²	62.1	30%	0.301	31%	0.31	S	S	.	.	H	α-helix	trans	-92.8	-22.8	174.5	-82.2	-77.5	0	0	0	114.4	F197 Y201 F426 Y432	F197-H430 AromaticContact CD2-CD2 3.93Å; F197-H430 AromaticContact CD2-CE1 3.27Å; F197-H430 WeakPolarHBondContact CD2-CE1 3.21Å; F197-H430 AromaticContact CD2-ND1 3.76Å; F197-H430 AromaticContact CD2-NE2 3.37Å; F197-H430 WeakPolarHBondContact CD2-NE2 3.45Å; F197-H430 AromaticContact CE2-CE1 3.59Å; F197-H430 AromaticContact CE2-CG 3.98Å; F197-H430 AromaticContact CE2-ND1 3.58Å; F197-H430 AromaticContact CE2-NE2 3.97Å; Y201-H430 AromaticContact CD2-CE1 3.97Å; Y201-H430 AromaticContact CE2-CE1 3.75Å; F426-H430 AromaticContact CD2-CD2 3.47Å; F426-H430 VanDerWaalsContact CD2-CD2 3.47Å; F426-H430 WeakPolarHBondContact CD2-CD2 3.26Å; F426-H430 AromaticContact CD2-NE2 3.9Å; F426-H430 AromaticContact CE2-CD2 3.32Å; F426-H430 WeakPolarHBondContact CE2-CD2 3.25Å; F426-H430 AromaticContact CE2-NE2 3.46Å; F426-H430 WeakPolarHBondContact CE2-NE2 3.4Å; F426-H430 AromaticContact CZ-CD2 3.81Å; F426-H430 VanDerWaalsContact O-CB 3.25Å; F426-H430 WeakPolarHBondContact O-CB 3.49Å; F426-H430 PolarHBondContact O-N 2.92Å; H430-Y432 PolarHBondContact O-N 3.03Å; H430-Y432 VanDerWaalsContact O-N 3.14Å
431	S	68.7	Low	71.7	Confident	47 Å²	47	52.7 Å²	52.7	33%	0.329	28%	0.275	S	S	.	.			trans	-86.2	85.3	176.8	-50.1	0	0	0	0	108.6	I427 P433	I427-S431 WeakPolarHBondContact O-CA 3.43Å; I427-S431 WeakPolarHBondContact O-CB 3.47Å; I427-S431 PolarHBondContact O-N 3.2Å; I427-S431 PolarHBondContact O-OG 3.01Å; S431-P433 WeakPolarHBondContact O-CD 3.48Å
432	Y	76.7	Confident	73.5	Confident	63 Å²	63	52.9 Å²	52.9	25%	0.247	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-62.1	125.9	163.1	-63.7	-81.6	0	0	0	108.4	L205 Y208 L316 H430 T434	L205-Y432 WeakPolarHBondContact CA-OH 3.49Å; L205-Y432 HydrophobicContact CD1-CE1 3.97Å; L205-Y432 PolarHBondContact N-OH 2.83Å; Y208-Y432 AromaticContact CD1-CD1 3.44Å; Y208-Y432 HydrophobicContact CD1-CD1 3.44Å; Y208-Y432 VanDerWaalsContact CD1-CD1 3.44Å; Y208-Y432 AromaticContact CD1-CE1 3.88Å; Y208-Y432 HydrophobicContact CD1-CE1 3.88Å; Y208-Y432 AromaticContact CD2-CD1 3.86Å; Y208-Y432 HydrophobicContact CD2-CD1 3.86Å; Y208-Y432 HydrophobicContact CD2-CG 4.41Å; Y208-Y432 AromaticContact CE1-CD1 3.8Å; Y208-Y432 HydrophobicContact CE1-CD1 3.8Å; Y208-Y432 HydrophobicContact CE2-CD1 4.2Å; Y208-Y432 AromaticContact CG-CD1 3.46Å; Y208-Y432 HydrophobicContact CG-CD1 3.46Å; Y208-Y432 VanDerWaalsContact CG-CD1 3.46Å; Y208-Y432 AromaticContact CG-CE1 3.87Å; Y208-Y432 HydrophobicContact CG-CE1 3.87Å; Y208-Y432 HydrophobicContact CG-CG 4.42Å; L316-Y432 HydrophobicContact CD1-CD1 4.02Å; L316-Y432 HydrophobicContact CD1-CE1 4.48Å; L316-Y432 HydrophobicContact CD2-CD1 4.44Å; L316-Y432 HydrophobicContact CD2-CE1 4.21Å; H430-Y432 PolarHBondContact O-N 3.03Å; H430-Y432 VanDerWaalsContact O-N 3.14Å; Y432-T434 PolarHBondContact O-N 2.72Å
433	P	78.5	Confident	75.2	Confident	4 Å²	4	56.3 Å²	56.3	3%	0.026	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-52.3	133	169.3	-27.6	34	0	0	0	110.9	Y208 Q312 L313 S431 Q437 L438	Y208-P433 VanDerWaalsContact OH-CD 3.29Å; Y208-P433 WeakPolarHBondContact OH-CD 3.22Å; Y208-P433 PolarHBondContact OH-O 3.27Å; Q312-P433 HydrophobicContact CB-CG 4.35Å; L313-P433 HydrophobicContact CD2-CG 3.83Å; L313-P433 HydrophobicContact CG-CG 3.98Å; S431-P433 WeakPolarHBondContact O-CD 3.48Å; P433-Q437 VanDerWaalsContact CA-OE1 3.29Å; P433-Q437 HydrophobicContact CB-CB 4.24Å; P433-L438 HydrophobicContact CB-CD2 4.29Å; P433-L438 HydrophobicContact CB-CG 4.38Å
434	T	78.9	Confident	76.5	Confident	73 Å²	73	54.1 Å²	54.1	45%	0.448	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-65.7	158.5	177.2	59.3	0	0	0	0	111	Y432 E436 Q437 L438	Y432-T434 PolarHBondContact O-N 2.72Å; T434-E436 PolarHBondContact O-N 2.83Å; T434-Q437 WeakPolarHBondContact O-CA 3.49Å; T434-Q437 WeakPolarHBondContact O-CB 3.42Å; T434-Q437 PolarHBondContact O-N 2.85Å; T434-Q437 VanDerWaalsContact OG1-CD 3.24Å; T434-Q437 WeakPolarHBondContact OG1-CG 3.29Å; T434-Q437 PolarHBondContact OG1-N 3.1Å; T434-Q437 PolarHBondContact OG1-OE1 3.22Å; T434-Q437 VanDerWaalsContact OG1-OE1 3.1Å; T434-L438 PolarHBondContact O-N 3.1Å
435	F	79.6	Confident	77.5	Confident	161 Å²	161	53.3 Å²	53.3	71%	0.706	26%	0.264	S	S	*	.	H	α-helix	trans	-53.4	-37	173.7	-77.3	-83.3	0	0	0	112.9	F211 L438 G439	F211-F435 HydrophobicContact CE1-CD1 4.16Å; F211-F435 AromaticContact CE1-CE1 3.65Å; F211-F435 HydrophobicContact CE1-CE1 3.65Å; F211-F435 HydrophobicContact CE1-CZ 4.45Å; F211-F435 HydrophobicContact CE2-CE1 4.02Å; F211-F435 AromaticContact CZ-CD1 3.98Å; F211-F435 HydrophobicContact CZ-CD1 3.98Å; F211-F435 AromaticContact CZ-CE1 3.37Å; F211-F435 HydrophobicContact CZ-CE1 3.37Å; F211-F435 HydrophobicContact CZ-CZ 4.37Å; F435-L438 PolarHBondContact O-N 3.09Å; F435-G439 PolarHBondContact O-N 3.3Å
436	E	83.9	Confident	78.3	Confident	131 Å²	131	60.4 Å²	60.4	61%	0.612	30%	0.295	S	S	*	.	H	α-helix	trans	-65.8	-40.3	175.6	-165.2	-161.8	139.7	0	0	111.9	T434 G439 K440	T434-E436 PolarHBondContact O-N 2.83Å; E436-G439 PolarHBondContact O-N 2.93Å; E436-K440 WeakPolarHBondContact O-CG 3.4Å; E436-K440 PolarHBondContact O-N 2.94Å; E436-K440 VanDerWaalsContact OE1-CE 3.25Å; E436-K440 WeakPolarHBondContact OE1-CE 3.27Å; E436-K440 IonicContact OE1-NZ 3.67Å; E436-K440 PolarHBondContact OE1-NZ 3.37Å
437	Q	84.5	Confident	78.8	Confident	45 Å²	45	61 Å²	61	21%	0.21	30%	0.3	C	S	.	.	H	α-helix	trans	-66.7	-42.5	176.2	-71.5	164.1	-25.4	0	0	111.3	F309 P433 T434 G439 K440 L441	F309-Q437 HydrophobicContact CD1-CG 4.33Å; F309-Q437 HydrophobicContact CD2-CB 4.12Å; F309-Q437 HydrophobicContact CD2-CG 4.16Å; F309-Q437 VanDerWaalsContact CE1-CD 3.49Å; F309-Q437 HydrophobicContact CE1-CG 3.93Å; F309-Q437 HydrophobicContact CE2-CB 4.18Å; F309-Q437 HydrophobicContact CE2-CG 3.74Å; F309-Q437 HydrophobicContact CG-CB 4.35Å; F309-Q437 HydrophobicContact CG-CG 4.46Å; F309-Q437 HydrophobicContact CZ-CB 4.46Å; F309-Q437 HydrophobicContact CZ-CG 3.63Å; F309-Q437 VanDerWaalsContact CZ-NE2 3.34Å; P433-Q437 VanDerWaalsContact CA-OE1 3.29Å; P433-Q437 HydrophobicContact CB-CB 4.24Å; T434-Q437 WeakPolarHBondContact O-CA 3.49Å; T434-Q437 WeakPolarHBondContact O-CB 3.42Å; T434-Q437 PolarHBondContact O-N 2.85Å; T434-Q437 VanDerWaalsContact OG1-CD 3.24Å; T434-Q437 WeakPolarHBondContact OG1-CG 3.29Å; T434-Q437 PolarHBondContact OG1-N 3.1Å; T434-Q437 PolarHBondContact OG1-OE1 3.22Å; T434-Q437 VanDerWaalsContact OG1-OE1 3.1Å; Q437-G439 VanDerWaalsContact C-N 3.3Å; Q437-G439 PolarHBondContact O-N 2.95Å; Q437-K440 WeakPolarHBondContact O-CB 3.4Å; Q437-K440 PolarHBondContact O-N 3.4Å; Q437-K440 VanDerWaalsContact O-N 3.1Å; Q437-L441 WeakPolarHBondContact O-CG 3.46Å; Q437-L441 PolarHBondContact O-N 2.99Å; Q437-L441 VanDerWaalsContact O-N 3.08Å
438	L	84.2	Confident	79.3	Confident	13 Å²	13	60.5 Å²	60.5	7%	0.068	30%	0.297	C	S	.	.	H	α-helix	trans	-59.5	-41.8	172.7	-69.7	176.6	0	0	0	111.6	Y208 F211 V212 L313 P433 T434 F435 K440 L441 L442	Y208-L438 HydrophobicContact CE2-CD1 4.29Å; F211-L438 HydrophobicContact CD1-CD1 4.37Å; F211-L438 HydrophobicContact CE1-CD1 3.79Å; V212-L438 HydrophobicContact CG2-CD1 4.24Å; V212-L438 HydrophobicContact CG2-CD2 4.21Å; L313-L438 HydrophobicContact CD1-CD2 4.19Å; L313-L438 HydrophobicContact CD2-CD2 4.23Å; P433-L438 HydrophobicContact CB-CD2 4.29Å; P433-L438 HydrophobicContact CB-CG 4.38Å; T434-L438 PolarHBondContact O-N 3.1Å; F435-L438 PolarHBondContact O-N 3.09Å; L438-K440 VanDerWaalsContact C-N 3.28Å; L438-K440 PolarHBondContact O-N 2.94Å; L438-L441 PolarHBondContact O-N 3.14Å; L438-L441 VanDerWaalsContact O-N 3.16Å; L438-L442 PolarHBondContact O-N 2.77Å
439	G	84.4	Confident	79.5	Confident	36 Å²	36	61 Å²	61	37%	0.371	30%	0.302	S	S	.	.	H	α-helix	trans	-59.3	-36.6	173.7	0	0	0	0	0	113.2	F435 E436 Q437 K443	F435-G439 PolarHBondContact O-N 3.3Å; E436-G439 PolarHBondContact O-N 2.93Å; Q437-G439 VanDerWaalsContact C-N 3.3Å; Q437-G439 PolarHBondContact O-N 2.95Å; G439-K443 WeakPolarHBondContact O-CB 3.33Å; G439-K443 PolarHBondContact O-N 3.34Å
440	K	86.6	Confident	80	Confident	74 Å²	74	60.6 Å²	60.6	32%	0.322	30%	0.299	S	S	.	.	H	α-helix	trans	-66.6	-40.5	174.3	-70.5	170.6	-172.8	166.9	0	112.1	Y306 E436 Q437 L438 K443 E444	Y306-K440 HydrophobicContact CE1-CB 4.33Å; Y306-K440 HydrophobicContact CE1-CD 4.3Å; Y306-K440 HydrophobicContact CE2-CB 4.28Å; E436-K440 WeakPolarHBondContact O-CG 3.4Å; E436-K440 PolarHBondContact O-N 2.94Å; E436-K440 VanDerWaalsContact OE1-CE 3.25Å; E436-K440 WeakPolarHBondContact OE1-CE 3.27Å; E436-K440 IonicContact OE1-NZ 3.67Å; E436-K440 PolarHBondContact OE1-NZ 3.37Å; Q437-K440 WeakPolarHBondContact O-CB 3.4Å; Q437-K440 PolarHBondContact O-N 3.4Å; Q437-K440 VanDerWaalsContact O-N 3.1Å; L438-K440 VanDerWaalsContact C-N 3.28Å; L438-K440 PolarHBondContact O-N 2.94Å; K440-K443 PolarHBondContact O-N 3.31Å; K440-E444 PolarHBondContact O-N 3.24Å
441	L	88.2	Confident	80.4	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.5	-43.3	175.9	-59.8	-172	0	0	0	111.7	L216 Y306 F309 W310 L313 Q437 L438 K443 E444 L445	L216-L441 HydrophobicContact CD1-CB 4.13Å; L216-L441 HydrophobicContact CD2-CB 4.49Å; L216-L441 HydrophobicContact CD2-CD1 4.13Å; Y306-L441 HydrophobicContact CD2-CD2 4.13Å; Y306-L441 HydrophobicContact CG-CD2 4.05Å; F309-L441 HydrophobicContact CB-CD1 4.15Å; F309-L441 HydrophobicContact CB-CD2 4.18Å; F309-L441 HydrophobicContact CB-CG 4.49Å; F309-L441 HydrophobicContact CD2-CD2 4.43Å; W310-L441 HydrophobicContact CD2-CD1 4.32Å; W310-L441 HydrophobicContact CG-CD2 4.46Å; W310-L441 HydrophobicContact CZ2-CB 4.33Å; L313-L441 HydrophobicContact CD1-CD1 3.4Å; L313-L441 VanDerWaalsContact CD1-CD1 3.4Å; Q437-L441 WeakPolarHBondContact O-CG 3.46Å; Q437-L441 PolarHBondContact O-N 2.99Å; Q437-L441 VanDerWaalsContact O-N 3.08Å; L438-L441 PolarHBondContact O-N 3.14Å; L438-L441 VanDerWaalsContact O-N 3.16Å; L441-K443 VanDerWaalsContact C-N 3.32Å; L441-K443 PolarHBondContact O-N 2.99Å; L441-E444 WeakPolarHBondContact O-CB 3.47Å; L441-E444 PolarHBondContact O-N 3.02Å; L441-L445 WeakPolarHBondContact O-CG 2.94Å; L441-L445 PolarHBondContact O-N 2.84Å
442	L	84.9	Confident	80.4	Confident	56 Å²	56	61.2 Å²	61.2	29%	0.293	30%	0.296	S	S	.	.	H	α-helix	trans	-61.2	-42.1	174.5	-74.2	169.9	0	0	0	111.9	Y215 L216 L438 E444 L445 K446 F451	Y215-L442 VanDerWaalsContact O-CD2 3.29Å; Y215-L442 WeakPolarHBondContact O-CD2 3.36Å; L216-L442 HydrophobicContact CD1-CD2 3.67Å; L216-L442 HydrophobicContact CD1-CG 4.01Å; L438-L442 PolarHBondContact O-N 2.77Å; L442-E444 VanDerWaalsContact C-N 3.34Å; L442-L445 PolarHBondContact O-N 2.84Å; L442-K446 PolarHBondContact O-N 2.78Å; L442-F451 HydrophobicContact CD2-CZ 4.04Å
443	K	85.2	Confident	80.2	Confident	131 Å²	131	58.8 Å²	58.8	57%	0.57	29%	0.288	S	S	*	.	H	α-helix	trans	-62.6	-41.6	176.2	-172.4	178.6	177.9	-171.4	0	111.4	G439 K440 L441 K446 E447	G439-K443 WeakPolarHBondContact O-CB 3.33Å; G439-K443 PolarHBondContact O-N 3.34Å; K440-K443 PolarHBondContact O-N 3.31Å; L441-K443 VanDerWaalsContact C-N 3.32Å; L441-K443 PolarHBondContact O-N 2.99Å; K443-K446 PolarHBondContact O-N 3.09Å; K443-E447 WeakPolarHBondContact CE-OE1 3.34Å; K443-E447 HydrophobicContact CG-CG 4.44Å; K443-E447 IonicContact NZ-OE1 3.88Å; K443-E447 WeakPolarHBondContact O-CB 3.3Å; K443-E447 WeakPolarHBondContact O-CG 3.49Å; K443-E447 PolarHBondContact O-N 3.48Å
444	E	87	Confident	80.1	Confident	12 Å²	12	58.7 Å²	58.7	6%	0.056	29%	0.287	C	S	.	.	H	α-helix	trans	-57.7	-48.6	174.1	177	174.5	-119.5	0	0	111.1	T304 K305 Y306 W310 K440 L441 L442 K446 E447 I448	T304-E444 WeakPolarHBondContact CA-OE1 3.34Å; T304-E444 WeakPolarHBondContact CB-OE1 3.4Å; T304-E444 PolarHBondContact OG1-OE1 2.9Å; T304-E444 PolarHBondContact OG1-OE2 3.17Å; K305-E444 PolarHBondContact N-OE1 2.83Å; Y306-E444 HydrophobicContact CD2-CB 4.32Å; Y306-E444 HydrophobicContact CE2-CB 4.31Å; W310-E444 PolarHBondContact NE1-OE2 2.7Å; K440-E444 PolarHBondContact O-N 3.24Å; L441-E444 WeakPolarHBondContact O-CB 3.47Å; L441-E444 PolarHBondContact O-N 3.02Å; L442-E444 VanDerWaalsContact C-N 3.34Å; E444-K446 VanDerWaalsContact C-N 3.28Å; E444-K446 PolarHBondContact O-N 3.27Å; E444-E447 PolarHBondContact O-N 3.38Å; E444-I448 WeakPolarHBondContact O-CG1 3.31Å; E444-I448 WeakPolarHBondContact O-CG2 3.46Å; E444-I448 PolarHBondContact O-N 3.39Å; E444-I448 VanDerWaalsContact O-N 3.14Å
445	L	82.7	Confident	79.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-33.4	177.4	-67	-178.3	0	0	0	113.3	L216 P217 F280 W310 L441 L442 I448 G449 Y450 F451	L216-L445 HydrophobicContact CD1-CD1 3.61Å; L216-L445 HydrophobicContact CG-CD1 4.48Å; P217-L445 HydrophobicContact CG-CD1 3.49Å; P217-L445 VanDerWaalsContact CG-CD1 3.49Å; F280-L445 HydrophobicContact CE2-CD2 4.15Å; F280-L445 HydrophobicContact CZ-CD2 3.98Å; W310-L445 HydrophobicContact CH2-CD1 4.29Å; W310-L445 HydrophobicContact CZ2-CD1 4.32Å; W310-L445 HydrophobicContact CZ2-CD2 4.27Å; W310-L445 HydrophobicContact CZ2-CG 4.34Å; L441-L445 WeakPolarHBondContact O-CG 2.94Å; L441-L445 PolarHBondContact O-N 2.84Å; L442-L445 PolarHBondContact O-N 2.84Å; L445-I448 HydrophobicContact CD2-CD1 3.77Å; L445-I448 WeakPolarHBondContact O-CG1 3.39Å; L445-G449 PolarHBondContact O-N 2.98Å; L445-Y450 HydrophobicContact CD2-CG 4.35Å; L445-Y450 VanDerWaalsContact O-CB 3.24Å; L445-Y450 WeakPolarHBondContact O-CB 3.48Å; L445-Y450 PolarHBondContact O-N 3.45Å; L445-F451 HydrophobicContact CB-CE2 3.8Å; L445-F451 HydrophobicContact CB-CZ 3.91Å; L445-F451 HydrophobicContact CD1-CZ 4.34Å
446	K	79.1	Confident	79.5	Confident	155 Å²	155	54.3 Å²	54.3	67%	0.674	26%	0.264	S	S	*	.	H	α-helix	trans	-70.7	-41.3	174.6	-171	175.3	-178.2	174.3	0	112.1	L442 K443 E444 I448 G449 F451	L442-K446 PolarHBondContact O-N 2.78Å; K443-K446 PolarHBondContact O-N 3.09Å; E444-K446 VanDerWaalsContact C-N 3.28Å; E444-K446 PolarHBondContact O-N 3.27Å; K446-I448 VanDerWaalsContact C-N 3.28Å; K446-I448 PolarHBondContact O-N 3.15Å; K446-G449 PolarHBondContact O-N 2.85Å; K446-F451 HydrophobicContact CB-CD2 3.99Å; K446-F451 HydrophobicContact CB-CE2 4Å; K446-F451 HydrophobicContact CG-CD2 4.42Å
447	E	77	Confident	78.7	Confident	129 Å²	129	52 Å²	52	60%	0.603	25%	0.252	S	S	*	.	H	α-helix	trans	-65.2	-32.5	-179.8	-77.3	176.7	179.4	0	0	112.6	K443 E444 G449	K443-E447 WeakPolarHBondContact CE-OE1 3.34Å; K443-E447 HydrophobicContact CG-CG 4.44Å; K443-E447 IonicContact NZ-OE1 3.88Å; K443-E447 WeakPolarHBondContact O-CB 3.3Å; K443-E447 WeakPolarHBondContact O-CG 3.49Å; K443-E447 PolarHBondContact O-N 3.48Å; E444-E447 PolarHBondContact O-N 3.38Å; E447-G449 VanDerWaalsContact C-N 3.33Å
448	I	73.8	Confident	77.4	Confident	63 Å²	63	58.5 Å²	58.5	32%	0.323	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	3.2	177.6	67.5	-177.1	0	0	0	113.9	F300 V302 E444 L445 K446 Y450	F300-I448 HydrophobicContact CE1-CD1 4.08Å; F300-I448 HydrophobicContact CE1-CG1 4.48Å; F300-I448 HydrophobicContact CZ-CD1 4.41Å; F300-I448 HydrophobicContact CZ-CG1 4.44Å; V302-I448 HydrophobicContact CB-CD1 3.94Å; V302-I448 HydrophobicContact CG1-CD1 3.28Å; V302-I448 HydrophobicContact CG1-CG2 4.27Å; V302-I448 HydrophobicContact CG2-CD1 3.38Å; E444-I448 WeakPolarHBondContact O-CG1 3.31Å; E444-I448 WeakPolarHBondContact O-CG2 3.46Å; E444-I448 PolarHBondContact O-N 3.39Å; E444-I448 VanDerWaalsContact O-N 3.14Å; L445-I448 HydrophobicContact CD2-CD1 3.77Å; L445-I448 WeakPolarHBondContact O-CG1 3.39Å; K446-I448 VanDerWaalsContact C-N 3.28Å; K446-I448 PolarHBondContact O-N 3.15Å; I448-Y450 PolarHBondContact O-N 2.77Å
449	G	70	Confident	75.7	Confident	11 Å²	11	59.9 Å²	59.9	11%	0.113	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	73	18.9	179.6	0	0	0	0	0	115.3	L445 K446 E447 F451 E452 L453	L445-G449 PolarHBondContact O-N 2.98Å; K446-G449 PolarHBondContact O-N 2.85Å; E447-G449 VanDerWaalsContact C-N 3.33Å; G449-F451 VanDerWaalsContact C-N 3.27Å; G449-F451 PolarHBondContact O-N 3.49Å; G449-E452 WeakPolarHBondContact O-CB 3.28Å; G449-E452 PolarHBondContact O-N 3.18Å; G449-L453 PolarHBondContact O-N 3.06Å
450	Y	79.7	Confident	73.6	Confident	3 Å²	3	68 Å²	68	1%	0.012	32%	0.317	C	S	.	.	H	α-helix	trans	-54.2	-45	179.7	177.8	-89.8	0	0	0	111.8	P217 F280 F300 L445 I448 E452 L453 F454 W470	P217-Y450 HydrophobicContact CB-CE1 3.91Å; P217-Y450 VanDerWaalsContact CB-OH 3.27Å; P217-Y450 WeakPolarHBondContact CB-OH 3.4Å; P217-Y450 HydrophobicContact CG-CD1 4.11Å; P217-Y450 HydrophobicContact CG-CE1 3.49Å; P217-Y450 VanDerWaalsContact CG-CE1 3.49Å; P217-Y450 HydrophobicContact CG-CE2 4.32Å; F280-Y450 HydrophobicContact CB-CE2 3.71Å; F280-Y450 AromaticContact CD1-CE2 3.84Å; F280-Y450 HydrophobicContact CD1-CE2 3.84Å; F280-Y450 HydrophobicContact CD2-CD2 4.25Å; F280-Y450 HydrophobicContact CD2-CE2 4.06Å; F280-Y450 HydrophobicContact CE1-CE2 4.47Å; F280-Y450 HydrophobicContact CG-CD2 4.25Å; F280-Y450 AromaticContact CG-CE2 3.6Å; F280-Y450 HydrophobicContact CG-CE2 3.6Å; F300-Y450 AromaticContact CD1-CD2 3.68Å; F300-Y450 HydrophobicContact CD1-CD2 3.68Å; F300-Y450 HydrophobicContact CD1-CE2 4.25Å; F300-Y450 AromaticContact CE1-CD2 3.72Å; F300-Y450 HydrophobicContact CE1-CD2 3.72Å; F300-Y450 HydrophobicContact CE1-CG 4.44Å; L445-Y450 HydrophobicContact CD2-CG 4.35Å; L445-Y450 VanDerWaalsContact O-CB 3.24Å; L445-Y450 WeakPolarHBondContact O-CB 3.48Å; L445-Y450 PolarHBondContact O-N 3.45Å; I448-Y450 PolarHBondContact O-N 2.77Å; Y450-E452 PolarHBondContact O-N 3.31Å; Y450-L453 PolarHBondContact O-N 3.42Å; Y450-L453 VanDerWaalsContact O-N 3.13Å; Y450-F454 HydrophobicContact CD1-CB 4.28Å; Y450-F454 AromaticContact CD2-CD2 3.76Å; Y450-F454 HydrophobicContact CD2-CD2 3.76Å; Y450-F454 HydrophobicContact CD2-CE2 4.24Å; Y450-F454 HydrophobicContact CE1-CB 3.67Å; Y450-F454 HydrophobicContact CE1-CD2 4.32Å; Y450-F454 HydrophobicContact CE1-CG 4.17Å; Y450-F454 HydrophobicContact CE2-CB 4.23Å; Y450-F454 AromaticContact CE2-CD2 3.36Å; Y450-F454 HydrophobicContact CE2-CD2 3.36Å; Y450-F454 AromaticContact CE2-CE2 3.77Å; Y450-F454 HydrophobicContact CE2-CE2 3.77Å; Y450-F454 AromaticContact CE2-CG 3.82Å; Y450-F454 HydrophobicContact CE2-CG 3.82Å; Y450-F454 HydrophobicContact CG-CD2 4.38Å; Y450-F454 AromaticContact CZ-CD2 3.68Å; Y450-F454 AromaticContact CZ-CG 3.62Å; Y450-F454 PolarHBondContact O-N 2.87Å; Y450-W470 AromaticContact CE1-CD2 3.97Å; Y450-W470 HydrophobicContact CE1-CD2 3.97Å; Y450-W470 AromaticContact CE1-CE3 3.7Å; Y450-W470 HydrophobicContact CE1-CE3 3.7Å; Y450-W470 HydrophobicContact CE1-CZ3 4Å
451	F	75.2	Confident	71.4	Confident	71 Å²	71	70 Å²	70	31%	0.311	34%	0.335	S	S	.	.	H	α-helix	trans	-72.7	-11.8	-178.5	-56.3	-62.5	0	0	0	114	L442 L445 K446 G449 F454 W470	L442-F451 HydrophobicContact CD2-CZ 4.04Å; L445-F451 HydrophobicContact CB-CE2 3.8Å; L445-F451 HydrophobicContact CB-CZ 3.91Å; L445-F451 HydrophobicContact CD1-CZ 4.34Å; K446-F451 HydrophobicContact CB-CD2 3.99Å; K446-F451 HydrophobicContact CB-CE2 4Å; K446-F451 HydrophobicContact CG-CD2 4.42Å; G449-F451 VanDerWaalsContact C-N 3.27Å; G449-F451 PolarHBondContact O-N 3.49Å; F451-F454 CarbonylContact C-O 3.58Å; F451-W470 AromaticContact CD1-CH2 3.46Å; F451-W470 HydrophobicContact CD1-CH2 3.46Å; F451-W470 VanDerWaalsContact CD1-CH2 3.46Å; F451-W470 HydrophobicContact CD1-CZ2 4.48Å; F451-W470 AromaticContact CD1-CZ3 3.64Å; F451-W470 HydrophobicContact CD1-CZ3 3.64Å; F451-W470 AromaticContact CE1-CH2 3.4Å; F451-W470 HydrophobicContact CE1-CH2 3.4Å; F451-W470 VanDerWaalsContact CE1-CH2 3.4Å; F451-W470 HydrophobicContact CE1-CZ2 4.03Å; F451-W470 HydrophobicContact CE1-CZ3 4.01Å
452	E	68.8	Low	69.2	Low	55 Å²	55	74.7 Å²	74.7	26%	0.257	37%	0.365	S	S	.	.	H	α-helix	trans	-83.2	-32.1	171.6	-57	-178.4	169.2	0	0	110	G449 Y450 Q677	G449-E452 WeakPolarHBondContact O-CB 3.28Å; G449-E452 PolarHBondContact O-N 3.18Å; Y450-E452 PolarHBondContact O-N 3.31Å; E452-Q677 PolarHBondContact OE2-NE2 3.45Å
453	L	71.4	Confident	67.1	Low	12 Å²	12	81.8 Å²	81.8	6%	0.063	39%	0.394	C	S	.	.	H	α-helix	trans	-87.9	-34.3	179.9	-66.6	172.9	0	0	0	114	Y291 F300 G449 Y450 C472 F473 Q677 V681	Y291-L453 HydrophobicContact CE2-CB 4.37Å; Y291-L453 HydrophobicContact CE2-CD1 4.27Å; F300-L453 HydrophobicContact CD2-CD1 3.54Å; F300-L453 HydrophobicContact CE2-CD1 3.25Å; F300-L453 HydrophobicContact CG-CD1 4.36Å; F300-L453 HydrophobicContact CZ-CD1 3.86Å; G449-L453 PolarHBondContact O-N 3.06Å; Y450-L453 PolarHBondContact O-N 3.42Å; Y450-L453 VanDerWaalsContact O-N 3.13Å; L453-C472 WeakPolarHBondContact O-CA 3.39Å; L453-F473 HydrophobicContact CD2-CE1 4.43Å; L453-F473 VanDerWaalsContact O-CD1 3.22Å; L453-F473 WeakPolarHBondContact O-CD1 3.2Å; L453-F473 PolarHBondContact O-N 2.97Å; L453-Q677 HydrophobicContact CD2-CB 4.18Å; L453-V681 HydrophobicContact CD2-CG2 4.47Å
454	F	76.9	Confident	64.9	Low	1 Å²	1	79 Å²	79	0%	0.004	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136	-178.6	-71	-92.8	0	0	0	111	F280 C282 Y291 F300 Y450 F451 W470 D471 C472	F280-F454 HydrophobicContact CB-CZ 4.45Å; C282-F454 HydrophobicContact CB-CE1 4.04Å; Y291-F454 HydrophobicContact CD2-CE1 4.32Å; Y291-F454 AromaticContact CD2-CE2 3.65Å; Y291-F454 HydrophobicContact CD2-CE2 3.65Å; Y291-F454 AromaticContact CD2-CZ 3.41Å; Y291-F454 HydrophobicContact CD2-CZ 3.41Å; Y291-F454 VanDerWaalsContact CD2-CZ 3.41Å; Y291-F454 HydrophobicContact CE2-CE2 4.01Å; Y291-F454 HydrophobicContact CE2-CZ 4.24Å; Y291-F454 HydrophobicContact CG-CE2 4.39Å; Y291-F454 AromaticContact CG-CZ 3.88Å; Y291-F454 HydrophobicContact CG-CZ 3.88Å; F300-F454 HydrophobicContact CB-CE2 3.62Å; F300-F454 HydrophobicContact CB-CZ 4.04Å; F300-F454 HydrophobicContact CD1-CE2 4.16Å; F300-F454 AromaticContact CG-CE2 3.98Å; F300-F454 HydrophobicContact CG-CE2 3.98Å; Y450-F454 HydrophobicContact CD1-CB 4.28Å; Y450-F454 AromaticContact CD2-CD2 3.76Å; Y450-F454 HydrophobicContact CD2-CD2 3.76Å; Y450-F454 HydrophobicContact CD2-CE2 4.24Å; Y450-F454 HydrophobicContact CE1-CB 3.67Å; Y450-F454 HydrophobicContact CE1-CD2 4.32Å; Y450-F454 HydrophobicContact CE1-CG 4.17Å; Y450-F454 HydrophobicContact CE2-CB 4.23Å; Y450-F454 AromaticContact CE2-CD2 3.36Å; Y450-F454 HydrophobicContact CE2-CD2 3.36Å; Y450-F454 AromaticContact CE2-CE2 3.77Å; Y450-F454 HydrophobicContact CE2-CE2 3.77Å; Y450-F454 AromaticContact CE2-CG 3.82Å; Y450-F454 HydrophobicContact CE2-CG 3.82Å; Y450-F454 HydrophobicContact CG-CD2 4.38Å; Y450-F454 AromaticContact CZ-CD2 3.68Å; Y450-F454 AromaticContact CZ-CG 3.62Å; Y450-F454 PolarHBondContact O-N 2.87Å; F451-F454 CarbonylContact C-O 3.58Å; F454-W470 HydrophobicContact CB-CE3 3.9Å; F454-W470 HydrophobicContact CD1-CB 4.46Å; F454-D471 CarbonylContact C-O 3.53Å; F454-D471 WeakPolarHBondContact CA-O 3.28Å; F454-C472 HydrophobicContact CD1-CB 4.4Å; F454-C472 HydrophobicContact CE1-CB 4.2Å
455	Q	73.5	Confident	62.9	Low	56 Å²	56	86.5 Å²	86.5	26%	0.262	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	136.6	175.6	-71	174.9	11.1	0	0	109.8	K457 D471 F473 R674	Q455-K457 PolarHBondContact O-N 3.48Å; Q455-D471 PolarHBondContact N-O 2.86Å; Q455-D471 PolarHBondContact O-N 3.44Å; Q455-F473 HydrophobicContact CG-CB 4.24Å; Q455-R674 VanDerWaalsContact NE2-CZ 3.27Å
456	M	71.9	Confident	61.1	Low	87 Å²	87	91.9 Å²	91.9	43%	0.429	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	121.1	173	-165	-176.5	171.1	0	0	108.5	N214 E458 V468 W470	N214-M456 WeakPolarHBondContact O-CE 3.39Å; M456-E458 PolarHBondContact O-N 2.82Å; M456-V468 HydrophobicContact CB-CG1 4.47Å; M456-V468 HydrophobicContact CE-CB 3.93Å; M456-V468 HydrophobicContact CE-CG1 3.33Å; M456-V468 HydrophobicContact CE-CG2 3.37Å; M456-V468 HydrophobicContact CG-CG1 3.18Å; M456-V468 HydrophobicContact SD-CG1 3.98Å; M456-W470 HydrophobicContact CB-CE3 4.2Å; M456-W470 HydrophobicContact CB-CH2 3.83Å; M456-W470 HydrophobicContact CB-CZ2 4.18Å; M456-W470 HydrophobicContact CB-CZ3 3.85Å; M456-W470 HydrophobicContact CG-CH2 4.26Å; M456-W470 HydrophobicContact CG-CZ2 4.13Å; M456-W470 HydrophobicContact SD-CZ2 4.49Å
457	K	67.8	Low	59.9	Low	83 Å²	83	85 Å²	85	36%	0.361	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	116.5	172	-177.1	179.3	166	-159.8	0	108.4	Q455 T459 E469	Q455-K457 PolarHBondContact O-N 3.48Å; K457-T459 VanDerWaalsContact C-N 3.29Å; K457-T459 HydrophobicContact CD-CG2 4.36Å; K457-T459 HydrophobicContact CG-CG2 4.37Å; K457-T459 PolarHBondContact O-N 3.34Å; K457-E469 HydrophobicContact CB-CB 4.18Å; K457-E469 WeakPolarHBondContact CB-O 3.48Å; K457-E469 HydrophobicContact CD-CB 4.28Å; K457-E469 PolarHBondContact N-O 2.86Å; K457-E469 IonicContact NZ-OE2 2.73Å; K457-E469 PolarHBondContact NZ-OE2 3.47Å
458	E	56.6	Low	59.2	Low	180 Å²	180	79.8 Å²	79.8	84%	0.841	40%	0.402	S	S	*	.			trans	-68.5	91.7	166.3	-69.6	-175.8	-178.3	0	0	108.2	M456 K460	M456-E458 PolarHBondContact O-N 2.82Å; E458-K460 PolarHBondContact O-N 3.31Å; E458-K460 VanDerWaalsContact O-N 3.1Å
459	T	48.5	Very low	59	Low	42 Å²	42	79 Å²	79	26%	0.258	40%	0.396	S	S	.	.			trans	-67.8	109.3	173.3	34.7	0	0	0	0	108.7	K457 V461 E469	K457-T459 VanDerWaalsContact C-N 3.29Å; K457-T459 HydrophobicContact CD-CG2 4.36Å; K457-T459 HydrophobicContact CG-CG2 4.37Å; K457-T459 PolarHBondContact O-N 3.34Å; T459-V461 PolarHBondContact O-N 3.35Å; T459-E469 HydrophobicContact CG2-CG 4.26Å
460	K	41.7	Very low	59.3	Low	208 Å²	208	79.4 Å²	79.4	90%	0.904	40%	0.395	S	S	*	.			trans	-65.4	94.1	160.3	-68.8	-176.7	-178.2	176.1	0	107.1	E458	E458-K460 PolarHBondContact O-N 3.31Å; E458-K460 VanDerWaalsContact O-N 3.1Å
461	V	38.6	Very low	59	Low	115 Å²	115	79.3 Å²	79.3	70%	0.697	40%	0.395	S	S	*	.			trans	-25.7	142.8	177.7	-172.7	0	0	0	0	115.2	T459	T459-V461 PolarHBondContact O-N 3.35Å
462	P	41.9	Very low	59	Low	98 Å²	98	76 Å²	76	64%	0.636	38%	0.38	S	S	*	.				-125.1	134.9	115.4	11.7	7.6	0	0	0	111.6	A464	P462-A464 PolarHBondContact O-N 3.3Å
463	K	42.7	Very low	58.9	Low	206 Å²	206	73.4 Å²	73.4	90%	0.896	37%	0.368	S	S	*	.	S	Bend	trans	-38.9	104.7	174.9	-62.9	166.3	177.9	175.1	0	109.7
464	A	39	Very low	58.5	Low	71 Å²	71	73.5 Å²	73.5	59%	0.587	37%	0.369	S	S	*	.	S	Bend		-159.2	-31.5	101.7	0	0	0	0	0	115.6	P462	P462-A464 PolarHBondContact O-N 3.3Å
465	Y	44	Very low	57.9	Low	170 Å²	170	73.5 Å²	73.5	67%	0.667	37%	0.369	S	S	*	.	S	Bend	trans	-157.9	34.8	-171.9	-67.2	-76.1	0	0	0	114.9
466	L	45.1	Very low	57.4	Low	114 Å²	114	72 Å²	72	60%	0.597	37%	0.369	S	S	*	.			trans	-103.9	94.9	-177.1	-66.8	168.4	0	0	0	109.8
467	G	54.5	Low	56.5	Low	9 Å²	9	68.2 Å²	68.2	9%	0.093	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-60.7	166.4	167.7	0	0	0	0	0	111	E469	G467-E469 PolarHBondContact O-N 2.7Å
468	V	62.2	Low	55.6	Low	21 Å²	21	68 Å²	68	13%	0.127	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-58.9	131.6	179.7	169.4	0	0	0	0	111	R213 N214 M456	R213-V468 WeakPolarHBondContact O-CB 3.39Å; N214-V468 HydrophobicContact CB-CG2 4.47Å; M456-V468 HydrophobicContact CB-CG1 4.47Å; M456-V468 HydrophobicContact CE-CB 3.93Å; M456-V468 HydrophobicContact CE-CG1 3.33Å; M456-V468 HydrophobicContact CE-CG2 3.37Å; M456-V468 HydrophobicContact CG-CG1 3.18Å; M456-V468 HydrophobicContact SD-CG1 3.98Å
469	E	69.2	Low	55	Low	45 Å²	45	64.7 Å²	64.7	21%	0.21	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	129.1	-178.7	-65	-169.3	161.2	0	0	109.6	K457 T459 G467	K457-E469 HydrophobicContact CB-CB 4.18Å; K457-E469 WeakPolarHBondContact CB-O 3.48Å; K457-E469 HydrophobicContact CD-CB 4.28Å; K457-E469 PolarHBondContact N-O 2.86Å; K457-E469 IonicContact NZ-OE2 2.73Å; K457-E469 PolarHBondContact NZ-OE2 3.47Å; T459-E469 HydrophobicContact CG2-CG 4.26Å; G467-E469 PolarHBondContact O-N 2.7Å
470	W	75.9	Confident	54.4	Low	20 Å²	20	70.8 Å²	70.8	8%	0.076	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.8	176.7	-70.3	86.7	0	0	0	109.7	P217 Y450 F451 F454 M456	P217-W470 HydrophobicContact CB-CD2 4.3Å; P217-W470 HydrophobicContact CB-CG 4.06Å; Y450-W470 AromaticContact CE1-CD2 3.97Å; Y450-W470 HydrophobicContact CE1-CD2 3.97Å; Y450-W470 AromaticContact CE1-CE3 3.7Å; Y450-W470 HydrophobicContact CE1-CE3 3.7Å; Y450-W470 HydrophobicContact CE1-CZ3 4Å; F451-W470 AromaticContact CD1-CH2 3.46Å; F451-W470 HydrophobicContact CD1-CH2 3.46Å; F451-W470 VanDerWaalsContact CD1-CH2 3.46Å; F451-W470 HydrophobicContact CD1-CZ2 4.48Å; F451-W470 AromaticContact CD1-CZ3 3.64Å; F451-W470 HydrophobicContact CD1-CZ3 3.64Å; F451-W470 AromaticContact CE1-CH2 3.4Å; F451-W470 HydrophobicContact CE1-CH2 3.4Å; F451-W470 VanDerWaalsContact CE1-CH2 3.4Å; F451-W470 HydrophobicContact CE1-CZ2 4.03Å; F451-W470 HydrophobicContact CE1-CZ3 4.01Å; F454-W470 HydrophobicContact CB-CE3 3.9Å; F454-W470 HydrophobicContact CD1-CB 4.46Å; M456-W470 HydrophobicContact CB-CE3 4.2Å; M456-W470 HydrophobicContact CB-CH2 3.83Å; M456-W470 HydrophobicContact CB-CZ2 4.18Å; M456-W470 HydrophobicContact CB-CZ3 3.85Å; M456-W470 HydrophobicContact CG-CH2 4.26Å; M456-W470 HydrophobicContact CG-CZ2 4.13Å; M456-W470 HydrophobicContact SD-CZ2 4.49Å
471	D	74.5	Confident	54.2	Low	2 Å²	2	63.3 Å²	63.3	1%	0.011	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	142.9	176.3	-78.5	-36.1	0	0	0	109.9	K284 F454 Q455 C475	K284-D471 WeakPolarHBondContact CD-OD2 3.38Å; K284-D471 WeakPolarHBondContact CE-OD2 3.44Å; K284-D471 WeakPolarHBondContact CG-OD1 3.47Å; K284-D471 PolarHBondContact N-OD1 2.88Å; K284-D471 IonicContact NZ-OD2 2.71Å; F454-D471 CarbonylContact C-O 3.53Å; F454-D471 WeakPolarHBondContact CA-O 3.28Å; Q455-D471 PolarHBondContact N-O 2.86Å; Q455-D471 PolarHBondContact O-N 3.44Å; D471-C475 HydrophobicContact CB-CB 4.35Å
472	C	73.6	Confident	54	Low	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	145.2	167.1	74.3	0	0	0	0	108	C282 L290 Y291 L453 F454 V474 C475 G476	C282-C472 HydrophobicContact CB-CB 3.84Å; C282-C472 PolarHBondContact SG-N 3.01Å; L290-C472 HydrophobicContact CB-CB 4.45Å; Y291-C472 HydrophobicContact CD2-CB 4.35Å; L453-C472 WeakPolarHBondContact O-CA 3.39Å; F454-C472 HydrophobicContact CD1-CB 4.4Å; F454-C472 HydrophobicContact CE1-CB 4.2Å; C472-V474 PolarHBondContact O-N 3.08Å; C472-C475 WeakPolarHBondContact O-CA 3.45Å; C472-C475 PolarHBondContact O-N 3.24Å; C472-G476 PolarHBondContact O-N 2.96Å
473	F	66.4	Low	53.4	Low	2 Å²	2	61.8 Å²	61.8	1%	0.009	32%	0.319	C	S	.	.	H	α-helix	trans	-57.5	-29.2	-172.7	71	-89.4	0	0	0	111.5	L290 L453 Q455 C475 G476 S477 R674 I678	L290-F473 HydrophobicContact CD1-CD1 4.49Å; L290-F473 HydrophobicContact CD1-CE1 3.29Å; L290-F473 HydrophobicContact CD1-CZ 3.39Å; L290-F473 HydrophobicContact CG-CE1 4.42Å; L290-F473 HydrophobicContact CG-CZ 4.16Å; L453-F473 HydrophobicContact CD2-CE1 4.43Å; L453-F473 VanDerWaalsContact O-CD1 3.22Å; L453-F473 WeakPolarHBondContact O-CD1 3.2Å; L453-F473 PolarHBondContact O-N 2.97Å; Q455-F473 HydrophobicContact CG-CB 4.24Å; F473-C475 VanDerWaalsContact C-N 3.33Å; F473-C475 PolarHBondContact O-N 3.22Å; F473-G476 PolarHBondContact O-N 2.95Å; F473-S477 WeakPolarHBondContact O-CB 3.46Å; F473-S477 PolarHBondContact O-N 2.78Å; F473-S477 PolarHBondContact O-OG 2.65Å; F473-R674 HydrophobicContact CD2-CB 4.49Å; F473-I678 HydrophobicContact CD2-CD1 4.27Å; F473-I678 HydrophobicContact CE1-CD1 4.45Å; F473-I678 HydrophobicContact CE1-CG1 3.85Å; F473-I678 HydrophobicContact CE2-CD1 3.11Å; F473-I678 HydrophobicContact CE2-CG1 3.4Å; F473-I678 HydrophobicContact CZ-CB 4.35Å; F473-I678 HydrophobicContact CZ-CD1 3.32Å; F473-I678 HydrophobicContact CZ-CG1 2.94Å
474	V	63	Low	52.8	Low	14 Å²	14	57.9 Å²	57.9	9%	0.085	31%	0.308	C	S	.	.	H	α-helix	trans	-58.4	-45.5	173.7	-174	0	0	0	0	110.8	Q288 L290 C472 S477 V478 I678	Q288-V474 HydrophobicContact CB-CG1 4.15Å; L290-V474 HydrophobicContact CD1-CG2 4.29Å; L290-V474 HydrophobicContact CD2-CG2 4.21Å; L290-V474 HydrophobicContact CG-CG2 3.79Å; C472-V474 PolarHBondContact O-N 3.08Å; V474-S477 PolarHBondContact O-OG 2.86Å; V474-V478 WeakPolarHBondContact O-CG2 3.48Å; V474-I678 HydrophobicContact CG2-CD1 4.41Å; V474-I678 HydrophobicContact CG2-CG1 4.4Å
475	C	65.9	Low	52.3	Low	1 Å²	1	62.2 Å²	62.2	1%	0.007	32%	0.316	C	S	.	.	H	α-helix	trans	-78.5	-33.2	-178	-73.2	0	0	0	0	112.9	C282 K284 D471 C472 F473 S477	C282-C475 VanDerWaalsContact SG-CB 3.51Å; C282-C475 VanDerWaalsContact SG-SG 3.68Å; K284-C475 HydrophobicContact CB-CB 3.91Å; K284-C475 HydrophobicContact CD-CB 4.01Å; K284-C475 WeakPolarHBondContact CD-O 3.34Å; K284-C475 PolarHBondContact NZ-O 3.13Å; D471-C475 HydrophobicContact CB-CB 4.35Å; C472-C475 WeakPolarHBondContact O-CA 3.45Å; C472-C475 PolarHBondContact O-N 3.24Å; F473-C475 VanDerWaalsContact C-N 3.33Å; F473-C475 PolarHBondContact O-N 3.22Å; C475-S477 VanDerWaalsContact C-N 3.35Å
476	G	61.6	Low	51.4	Low	25 Å²	25	58.6 Å²	58.6	26%	0.258	32%	0.316	S	S	.	.	H	α-helix	trans	-64.9	-41.1	173.9	0	0	0	0	0	111.8	C472 F473 V478	C472-G476 PolarHBondContact O-N 2.96Å; F473-G476 PolarHBondContact O-N 2.95Å; G476-V478 PolarHBondContact O-N 3.47Å
477	S	54.5	Low	50.6	Low	7 Å²	7	56.8 Å²	56.8	5%	0.049	32%	0.317	C	S	.	.	H	α-helix	trans	-79.3	-12.8	-173.4	54.7	0	0	0	0	116	F473 V474 C475 N479 E480 A481 W482	F473-S477 WeakPolarHBondContact O-CB 3.46Å; F473-S477 PolarHBondContact O-N 2.78Å; F473-S477 PolarHBondContact O-OG 2.65Å; V474-S477 PolarHBondContact O-OG 2.86Å; C475-S477 VanDerWaalsContact C-N 3.35Å; S477-N479 PolarHBondContact O-N 2.89Å; S477-E480 PolarHBondContact O-N 3.17Å; S477-A481 PolarHBondContact O-N 2.86Å; S477-W482 VanDerWaalsContact CB-CD1 3.41Å; S477-W482 VanDerWaalsContact OG-CD1 3.3Å; S477-W482 PolarHBondContact OG-NE1 3.03Å
478	V	48.8	Very low	49.3	Very low	77 Å²	77	58.3 Å²	58.3	47%	0.467	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-25.6	179.2	-172.4	0	0	0	0	112.5	V474 G476	V474-V478 WeakPolarHBondContact O-CG2 3.48Å; G476-V478 PolarHBondContact O-N 3.47Å
479	N	42.5	Very low	47.5	Very low	112 Å²	112	64.4 Å²	64.4	60%	0.599	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-28.3	-176.9	-74.1	-2.3	0	0	0	114.8	S477	S477-N479 PolarHBondContact O-N 2.89Å
480	E	37.8	Very low	45.6	Very low	170 Å²	170	64.8 Å²	64.8	79%	0.794	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.8	-38.6	-166.6	-68.6	-177.5	175.7	0	0	115.5	S477	S477-E480 PolarHBondContact O-N 3.17Å
481	A	35.6	Very low	43	Very low	50 Å²	50	66.5 Å²	66.5	41%	0.413	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-13.6	-166.7	0	0	0	0	0	115.3	S477	S477-A481 PolarHBondContact O-N 2.86Å
482	W	36	Very low	40.8	Very low	58 Å²	58	70.6 Å²	70.6	22%	0.22	42%	0.419	C	S	.	.	S	Bend	trans	-110.1	-6.8	-177.6	-57.5	109.1	0	0	0	114	S477 M492 I495 L671	S477-W482 VanDerWaalsContact CB-CD1 3.41Å; S477-W482 VanDerWaalsContact OG-CD1 3.3Å; S477-W482 PolarHBondContact OG-NE1 3.03Å; W482-M492 HydrophobicContact CD2-CE 4.3Å; W482-M492 HydrophobicContact CE3-CE 3.16Å; W482-M492 HydrophobicContact CE3-SD 3.55Å; W482-M492 VanDerWaalsContact CE3-SD 3.55Å; W482-M492 HydrophobicContact CZ3-CE 3.32Å; W482-M492 HydrophobicContact CZ3-SD 3.82Å; W482-I495 HydrophobicContact CB-CD1 3.76Å; W482-I495 HydrophobicContact CB-CG1 4.32Å; W482-I495 VanDerWaalsContact O-CD1 3.23Å; W482-I495 WeakPolarHBondContact O-CD1 3.41Å; W482-L671 HydrophobicContact CH2-CD2 4.18Å; W482-L671 HydrophobicContact CZ3-CD2 4.09Å
483	K	29.7	Very low	38.4	Very low	124 Å²	124	77.2 Å²	77.2	54%	0.539	46%	0.46	S	S	.	.	S	Bend	trans	-90	109.5	176.5	-72.2	-176.2	177.7	-179.3	0	108.5	I495	K483-I495 HydrophobicContact CG-CD1 3.64Å
484	D	28.5	Very low	36.6	Very low	124 Å²	124	79.9 Å²	79.9	66%	0.663	49%	0.489	S	S	*	.			trans	67.9	70.8	157.5	-54.9	-41.4	0	0	0	117.7
485	H	29	Very low	34.8	Very low	161 Å²	161	83.4 Å²	83.4	75%	0.745	51%	0.506	S	S	*	.			trans	-95.4	54.5	141.6	-69.5	-41.9	0	0	0	109.9	A487	H485-A487 PolarHBondContact O-N 3.36Å
486	S	26.2	Very low	32.8	Very low	95 Å²	95	90.9 Å²	90.9	66%	0.664	55%	0.546	S	S	*	.			trans	-89.8	75.6	176.8	43	0	0	0	0	110.6
487	A	28.1	Very low	31.1	Very low	76 Å²	76	92.6 Å²	92.6	63%	0.628	56%	0.563	S	S	*	*	S	Bend	trans	-153.7	80.3	156.5	0	0	0	0	0	109.3	H485	H485-A487 PolarHBondContact O-N 3.36Å
488	G	25.7	Very low	29.7	Very low	41 Å²	41	103.6 Å²	103.6	42%	0.423	60%	0.604	S	S	.	*	S	Bend	trans	117	77.4	174.5	0	0	0	0	0	114.3	V490	G488-V490 VanDerWaalsContact C-N 3.35Å; G488-V490 PolarHBondContact O-N 3.46Å
489	T	25.5	Very low	28.6	Very low	149 Å²	149	108.9 Å²	108.9	91%	0.914	62%	0.62	S	S	*	*	S	Bend	trans	49.8	37.8	152.9	-16.6	0	0	0	0	118.2
490	V	28.3	Very low	27.9	Very low	52 Å²	52	112.5 Å²	112.5	32%	0.315	63%	0.634	S	S	.	*			trans	-105.7	90.4	149.7	-174.3	0	0	0	0	105.9	G488 M492 Y647	G488-V490 VanDerWaalsContact C-N 3.35Å; G488-V490 PolarHBondContact O-N 3.46Å; V490-M492 HydrophobicContact CG1-CG 4.04Å; V490-M492 PolarHBondContact O-N 2.97Å; V490-Y647 HydrophobicContact CG2-CE1 3.66Å
491	G	22.8	Very low	27.3	Very low	57 Å²	57	111.6 Å²	111.6	59%	0.588	63%	0.629	S	S	*	*			trans	-67.2	80.7	173	0	0	0	0	0	109.8	T493	G491-T493 PolarHBondContact O-N 2.98Å
492	M	27.2	Very low	26.9	Very low	87 Å²	87	117.8 Å²	117.8	43%	0.429	65%	0.649	S	S	.	*			trans	-74.9	67.3	160.1	-72.6	-144.8	67.9	0	0	108.7	W482 V490 G494	W482-M492 HydrophobicContact CD2-CE 4.3Å; W482-M492 HydrophobicContact CE3-CE 3.16Å; W482-M492 HydrophobicContact CE3-SD 3.55Å; W482-M492 VanDerWaalsContact CE3-SD 3.55Å; W482-M492 HydrophobicContact CZ3-CE 3.32Å; W482-M492 HydrophobicContact CZ3-SD 3.82Å; V490-M492 HydrophobicContact CG1-CG 4.04Å; V490-M492 PolarHBondContact O-N 2.97Å; M492-G494 PolarHBondContact O-N 2.77Å; M492-G494 VanDerWaalsContact O-N 3.11Å
493	T	24.7	Very low	26.5	Very low	139 Å²	139	122 Å²	122	85%	0.853	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	93.3	167.2	49.2	0	0	0	0	107.6	G491	G491-T493 PolarHBondContact O-N 2.98Å
494	G	26.6	Very low	26.3	Very low	59 Å²	59	121 Å²	121	61%	0.608	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-171.2	-1.1	-178.3	0	0	0	0	0	117.4	M492	M492-G494 PolarHBondContact O-N 2.77Å; M492-G494 VanDerWaalsContact O-N 3.11Å
495	I	25.6	Very low	26.3	Very low	88 Å²	88	121.4 Å²	121.4	45%	0.451	69%	0.69	S	S	.	*			trans	-95.2	83.7	155.6	-51.3	176.9	0	0	0	105.1	W482 K483 G497	W482-I495 HydrophobicContact CB-CD1 3.76Å; W482-I495 HydrophobicContact CB-CG1 4.32Å; W482-I495 VanDerWaalsContact O-CD1 3.23Å; W482-I495 WeakPolarHBondContact O-CD1 3.41Å; K483-I495 HydrophobicContact CG-CD1 3.64Å; I495-G497 VanDerWaalsContact C-N 3.28Å; I495-G497 PolarHBondContact O-N 2.8Å
496	N	25.2	Very low	26	Very low	158 Å²	158	122.1 Å²	122.1	85%	0.845	69%	0.694	S	S	*	*			trans	-60.1	106.1	161.4	-90.5	-12.8	0	0	0	105.7	R498	N496-R498 PolarHBondContact O-N 2.94Å; N496-R498 VanDerWaalsContact O-N 3.1Å
497	G	24.2	Very low	26	Very low	60 Å²	60	120.7 Å²	120.7	62%	0.619	69%	0.694	S	S	*	*			trans	-45.2	121.7	177.4	0	0	0	0	0	108.1	I495 K499	I495-G497 VanDerWaalsContact C-N 3.28Å; I495-G497 PolarHBondContact O-N 2.8Å; G497-K499 PolarHBondContact O-N 2.92Å
498	R	26.2	Very low	26.1	Very low	238 Å²	238	124.3 Å²	124.3	90%	0.898	70%	0.703	S	S	*	*			trans	-51.2	110.5	164.5	-82.9	-176.8	177.8	-176.2	-1.2	105.5	N496 Q500	N496-R498 PolarHBondContact O-N 2.94Å; N496-R498 VanDerWaalsContact O-N 3.1Å; R498-Q500 VanDerWaalsContact C-N 3.3Å; R498-Q500 PolarHBondContact O-N 2.98Å
499	K	26	Very low	26	Very low	188 Å²	188	128.7 Å²	128.7	82%	0.817	72%	0.721	S	S	*	*			trans	-51.7	110.2	150.9	-75	-174	176.1	-176.1	0	104.2	G497 H501	G497-K499 PolarHBondContact O-N 2.92Å; K499-H501 PolarHBondContact O-N 2.79Å
500	Q	26.5	Very low	26	Very low	188 Å²	188	129.6 Å²	129.6	88%	0.879	71%	0.713	S	S	*	*			trans	-60.5	85	166.8	-81.8	173.1	-39.7	0	0	106.4	R498	R498-Q500 VanDerWaalsContact C-N 3.3Å; R498-Q500 PolarHBondContact O-N 2.98Å
501	H	25.7	Very low	25.9	Very low	151 Å²	151	132.7 Å²	132.7	70%	0.699	73%	0.727	S	S	*	*			trans	-121.3	99.9	159.2	-90.7	-54.3	0	0	0	106.8	K499 I503	K499-H501 PolarHBondContact O-N 2.79Å; H501-I503 PolarHBondContact O-N 2.82Å
502	E	26.7	Very low	26.2	Very low	180 Å²	180	135 Å²	135	84%	0.841	73%	0.726	S	S	*	*			trans	4.4	99.8	141.2	-66.3	174.4	142.5	0	0	114.3
503	I	27.4	Very low	26.3	Very low	146 Å²	146	137.4 Å²	137.4	75%	0.749	74%	0.74	S	S	*	*			trans	-133.5	104.6	139	-56.4	179.5	0	0	0	105	H501 V505	H501-I503 PolarHBondContact O-N 2.82Å; I503-V505 VanDerWaalsContact C-N 3.28Å; I503-V505 PolarHBondContact O-N 2.91Å
504	S	26.6	Very low	26.7	Very low	105 Å²	105	134.4 Å²	134.4	73%	0.734	71%	0.714	S	S	*	*			trans	-50.7	97.2	158.5	52.4	0	0	0	0	107.8	Q506	S504-Q506 PolarHBondContact O-N 3.27Å
505	V	27.4	Very low	26.9	Very low	131 Å²	131	139.1 Å²	139.1	79%	0.794	72%	0.72	S	S	*	*			trans	-74	85.9	169.2	-178.5	0	0	0	0	105.8	I503	I503-V505 VanDerWaalsContact C-N 3.28Å; I503-V505 PolarHBondContact O-N 2.91Å
506	Q	23.9	Very low	27.5	Very low	177 Å²	177	137.1 Å²	137.1	83%	0.827	71%	0.71	S	S	*	*			trans	-47	136	159	-99.5	175.8	-17.5	0	0	108.6	S504	S504-Q506 PolarHBondContact O-N 3.27Å
507	G	25.5	Very low	28	Very low	64 Å²	64	133.1 Å²	133.1	66%	0.66	69%	0.689	S	S	*	*	S	Bend	trans	-58.5	163.3	-166.5	0	0	0	0	0	116.3
508	N	30	Very low	28.6	Very low	152 Å²	152	137.2 Å²	137.2	81%	0.813	69%	0.691	S	S	*	*			trans	69	65.9	156.6	-59.9	-13.1	0	0	0	117.7
509	V	24.2	Very low	29.4	Very low	134 Å²	134	130.8 Å²	130.8	81%	0.812	67%	0.674	S	S	*	*			trans	-144.1	104.5	136	-171.8	0	0	0	0	107.8	N511	V509-N511 VanDerWaalsContact C-N 3.28Å; V509-N511 PolarHBondContact O-N 3.34Å
510	F	25.7	Very low	30.6	Very low	168 Å²	168	122.7 Å²	122.7	74%	0.737	64%	0.64	S	S	*	*			trans	-65	95.6	164.9	-72.2	-87.4	0	0	0	106.8	L512	F510-L512 PolarHBondContact O-N 2.92Å
511	N	25.3	Very low	32	Very low	116 Å²	116	114.8 Å²	114.8	62%	0.62	61%	0.605	S	S	*	*			trans	-64.6	101.9	171.8	-147.6	-1.2	0	0	0	106.5	V509 D513 Y514	V509-N511 VanDerWaalsContact C-N 3.28Å; V509-N511 PolarHBondContact O-N 3.34Å; N511-D513 PolarHBondContact O-N 2.89Å; N511-Y514 VanDerWaalsContact O-CD2 3.26Å; N511-Y514 WeakPolarHBondContact O-CD2 3.3Å; N511-Y514 WeakPolarHBondContact O-CE2 3.36Å
512	L	30	Very low	33.4	Very low	106 Å²	106	114.4 Å²	114.4	56%	0.555	60%	0.597	S	S	*	*	S	Bend	trans	-70.6	-10.7	-172.6	-87.5	151.3	0	0	0	112.5	F510 Y514	F510-L512 PolarHBondContact O-N 2.92Å; L512-Y514 PolarHBondContact O-N 3.42Å
513	D	29.3	Very low	35.1	Very low	137 Å²	137	106.6 Å²	106.6	73%	0.733	56%	0.561	S	S	*	*			trans	-83.6	59.8	171.3	-63.4	-27.6	0	0	0	110.8	N511 E515	N511-D513 PolarHBondContact O-N 2.89Å; D513-E515 PolarHBondContact O-N 3.1Å
514	Y	32.1	Very low	36.8	Very low	76 Å²	76	102.1 Å²	102.1	30%	0.298	54%	0.541	S	S	.	.			trans	-69	83.8	161.8	-86.7	-95.3	0	0	0	108	H285 K298 N511 L512 L516	H285-Y514 PolarHBondContact O-OH 3.28Å; K298-Y514 PolarHBondContact NZ-O 3.21Å; N511-Y514 VanDerWaalsContact O-CD2 3.26Å; N511-Y514 WeakPolarHBondContact O-CD2 3.3Å; N511-Y514 WeakPolarHBondContact O-CE2 3.36Å; L512-Y514 PolarHBondContact O-N 3.42Å; Y514-L516 PolarHBondContact O-N 2.91Å
515	E	31.5	Very low	38.7	Very low	159 Å²	159	97.5 Å²	97.5	74%	0.743	51%	0.509	S	S	*	.			trans	-62.1	116.2	152.8	-74.6	-170.8	164	0	0	106.6	D513 N517	D513-E515 PolarHBondContact O-N 3.1Å; E515-N517 PolarHBondContact O-N 2.8Å
516	L	37.3	Very low	40.6	Very low	46 Å²	46	91.9 Å²	91.9	24%	0.241	48%	0.476	C	S	.	.			trans	-55.1	111.4	169.1	-81.2	143.4	0	0	0	106.8	C289 Y514 H518	C289-L516 WeakPolarHBondContact O-CD2 3.42Å; Y514-L516 PolarHBondContact O-N 2.91Å; L516-H518 PolarHBondContact O-N 2.95Å; L516-H518 VanDerWaalsContact O-N 3.12Å
517	N	36.1	Very low	42.8	Very low	73 Å²	73	83.6 Å²	83.6	39%	0.39	44%	0.437	S	S	.	.			trans	-45.5	125.4	175.8	-98.1	-37.5	0	0	0	109	S287 Q288 E515 L519	S287-N517 PolarHBondContact OG-ND2 3.15Å; Q288-N517 HydrophobicContact CG-CB 4.04Å; E515-N517 PolarHBondContact O-N 2.8Å; N517-L519 PolarHBondContact O-N 2.98Å
518	H	37.2	Very low	45.1	Very low	146 Å²	146	84 Å²	84	68%	0.676	42%	0.42	S	S	*	.	S	Bend	trans	-60.4	6.8	-174.4	-69.3	-51.5	0	0	0	115.8	L516 N520	L516-H518 PolarHBondContact O-N 2.95Å; L516-H518 VanDerWaalsContact O-N 3.12Å; H518-N520 PolarHBondContact O-N 2.71Å
519	L	44.1	Very low	47	Very low	103 Å²	103	77 Å²	77	54%	0.539	38%	0.383	S	S	.	.			trans	-73.5	80.8	-176	-87.1	147.1	0	0	0	111.8	N517 R682	N517-L519 PolarHBondContact O-N 2.98Å; L519-R682 VanDerWaalsContact C-NH1 3.33Å; L519-R682 PolarHBondContact O-NH1 3.39Å
520	N	50.6	Low	49.3	Very low	19 Å²	19	72.8 Å²	72.8	10%	0.102	35%	0.354	C	S	.	.			trans	-64.5	143	171.2	-76.4	-36.7	0	0	0	111.6	H518 R522 D554	H518-N520 PolarHBondContact O-N 2.71Å; N520-R522 PolarHBondContact O-N 3.33Å; N520-R522 VanDerWaalsContact O-N 3.12Å; N520-D554 VanDerWaalsContact ND2-C 3.34Å; N520-D554 VanDerWaalsContact ND2-CA 3.34Å; N520-D554 WeakPolarHBondContact ND2-CA 3.34Å
521	P	55.1	Low	51.3	Low	21 Å²	21	68.6 Å²	68.6	14%	0.136	34%	0.336	C	S	.	.			trans	-60.3	120.2	177.3	26.7	-34	0	0	0	108.6	L552 I678	P521-L552 HydrophobicContact CG-CD2 4.02Å; P521-I678 HydrophobicContact CB-CD1 4.38Å; P521-I678 HydrophobicContact CG-CB 4.03Å; P521-I678 HydrophobicContact CG-CD1 4.2Å; P521-I678 HydrophobicContact CG-CG2 3.69Å
522	R	55.2	Low	53.1	Low	144 Å²	144	65.6 Å²	65.6	54%	0.543	32%	0.32	S	S	.	.			trans	-91.7	110.1	170	-63.5	-163.3	176.1	169.5	-2	108.2	N520 L552 E553 D554	N520-R522 PolarHBondContact O-N 3.33Å; N520-R522 VanDerWaalsContact O-N 3.12Å; R522-L552 VanDerWaalsContact CA-O 3.29Å; R522-L552 WeakPolarHBondContact CA-O 3.49Å; R522-E553 HydrophobicContact CG-CG 4.04Å; R522-E553 IonicContact NE-OE1 3.19Å; R522-D554 IonicContact NH2-OD2 3.33Å
523	L	63.6	Low	54.5	Low	15 Å²	15	66.1 Å²	66.1	8%	0.079	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.7	175.3	-62.9	177.2	0	0	0	108.7	K551 L552 W672	L523-K551 CarbonylContact O-C 3.59Å; L523-K551 VanDerWaalsContact O-CA 3.24Å; L523-K551 WeakPolarHBondContact O-CA 3.42Å; L523-L552 HydrophobicContact CB-CB 4.16Å; L523-L552 HydrophobicContact CD1-CD2 4.23Å; L523-L552 PolarHBondContact N-O 3.04Å; L523-L552 VanDerWaalsContact N-O 3.14Å; L523-L552 PolarHBondContact O-N 3.22Å; L523-W672 HydrophobicContact CB-CD2 4.47Å; L523-W672 HydrophobicContact CB-CH2 4.06Å; L523-W672 HydrophobicContact CB-CZ2 4Å; L523-W672 HydrophobicContact CB-CZ3 4.33Å; L523-W672 HydrophobicContact CD1-CD2 4.28Å; L523-W672 HydrophobicContact CD1-CE3 4.36Å
524	T	62.8	Low	55.3	Low	53 Å²	53	65.6 Å²	65.6	33%	0.325	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.7	172.8	48	0	0	0	0	110.2	F550 K551 Y668	T524-F550 WeakPolarHBondContact CA-O 3.4Å; T524-K551 HydrophobicContact CG2-CB 4.07Å; T524-K551 HydrophobicContact CG2-CD 4.25Å; T524-K551 HydrophobicContact CG2-CG 3.71Å; T524-Y668 PolarHBondContact O-OH 3Å
525	G	66	Low	56	Low	7 Å²	7	65.3 Å²	65.3	7%	0.072	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.1	-176.4	158.4	0	0	0	0	0	114	F550 Y668	G525-F550 PolarHBondContact N-O 3.24Å; G525-F550 PolarHBondContact O-N 2.65Å; G525-Y668 WeakPolarHBondContact CA-OH 3.42Å
526	T	66.8	Low	56.5	Low	14 Å²	14	63 Å²	63	9%	0.086	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.7	-167.4	-39.3	0	0	0	0	110.6	V547 F562 H643	T526-V547 HydrophobicContact CG2-CG1 3.45Å; T526-V547 VanDerWaalsContact CG2-CG1 3.45Å; T526-F562 HydrophobicContact CG2-CB 4.27Å; T526-F562 HydrophobicContact CG2-CD1 4.08Å; T526-F562 HydrophobicContact CG2-CD2 3.51Å; T526-F562 HydrophobicContact CG2-CE1 4.29Å; T526-F562 HydrophobicContact CG2-CE2 3.75Å; T526-F562 HydrophobicContact CG2-CG 3.69Å; T526-F562 HydrophobicContact CG2-CZ 4.13Å; T526-F562 WeakPolarHBondContact OG1-CE2 3.45Å; T526-H643 HydrophobicContact CG2-CB 3.73Å; T526-H643 VanDerWaalsContact O-CB 3.3Å; T526-H643 WeakPolarHBondContact O-CB 3.28Å; T526-H643 PolarHBondContact O-N 2.93Å
527	V	70.1	Confident	56.5	Low	2 Å²	2	72 Å²	72	1%	0.012	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	139.7	-174.8	-175.5	0	0	0	0	109.4	R548 F550 V640 K641 Y668	V527-R548 PolarHBondContact N-O 3.32Å; V527-R548 PolarHBondContact O-N 2.9Å; V527-F550 HydrophobicContact CB-CD2 3.58Å; V527-F550 HydrophobicContact CB-CE2 3.96Å; V527-F550 HydrophobicContact CB-CG 4.39Å; V527-F550 HydrophobicContact CG1-CD2 4.39Å; V527-F550 HydrophobicContact CG1-CE2 4.4Å; V527-F550 HydrophobicContact CG2-CB 4.21Å; V527-F550 HydrophobicContact CG2-CD2 3.98Å; V527-F550 HydrophobicContact CG2-CG 4.35Å; V527-V640 HydrophobicContact CG1-CB 3.97Å; V527-V640 HydrophobicContact CG1-CG1 3.24Å; V527-V640 HydrophobicContact CG1-CG2 4.34Å; V527-K641 CarbonylContact C-O 3.5Å; V527-K641 VanDerWaalsContact CA-O 3.32Å; V527-K641 WeakPolarHBondContact CA-O 3.45Å; V527-K641 WeakPolarHBondContact CG1-O 3.35Å; V527-Y668 HydrophobicContact CG2-CE1 4.49Å
528	K	73.4	Confident	56.7	Low	72 Å²	72	72.6 Å²	72.6	31%	0.313	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	117.8	163.8	-69	-177.7	-179.1	-177.4	0	108.9	W545 Q546 V547 V640 K641 H643	K528-W545 HydrophobicContact CB-CB 4.19Å; K528-W545 HydrophobicContact CB-CD2 4.27Å; K528-W545 HydrophobicContact CB-CE3 3.65Å; K528-W545 HydrophobicContact CB-CZ3 4.38Å; K528-W545 HydrophobicContact CD-CB 4.23Å; K528-W545 HydrophobicContact CG-CB 4.49Å; K528-W545 VanDerWaalsContact O-CZ3 3.32Å; K528-W545 WeakPolarHBondContact O-CZ3 3.33Å; K528-Q546 CarbonylContact C-O 3.52Å; K528-Q546 WeakPolarHBondContact CA-O 3.45Å; K528-V547 HydrophobicContact CG-CG2 4.18Å; K528-V640 CarbonylContact O-C 3.57Å; K528-V640 WeakPolarHBondContact O-CA 3.34Å; K528-K641 HydrophobicContact CB-CB 4.24Å; K528-K641 PolarHBondContact N-O 2.86Å; K528-K641 PolarHBondContact O-N 3.49Å; K528-H643 WeakPolarHBondContact CE-ND1 3.15Å; K528-H643 HydrophobicContact CG-CB 4.22Å
529	I	71.3	Confident	56.8	Low	6 Å²	6	71.6 Å²	71.6	3%	0.031	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	140.6	171.2	-172.4	164.6	0	0	0	110.7	Q546 R548 F550 W638 L639	I529-Q546 HydrophobicContact CG2-CB 4.24Å; I529-Q546 PolarHBondContact N-O 3.03Å; I529-Q546 PolarHBondContact O-N 3.02Å; I529-R548 HydrophobicContact CG2-CG 3.86Å; I529-F550 HydrophobicContact CB-CE2 4.12Å; I529-F550 HydrophobicContact CB-CZ 4Å; I529-F550 HydrophobicContact CD1-CE1 4.44Å; I529-F550 HydrophobicContact CD1-CZ 3.69Å; I529-F550 HydrophobicContact CG1-CZ 4.38Å; I529-F550 HydrophobicContact CG2-CE2 4.37Å; I529-F550 HydrophobicContact CG2-CZ 4.34Å; I529-W638 HydrophobicContact CD1-CB 3.79Å; I529-W638 HydrophobicContact CD1-CD2 3.62Å; I529-W638 HydrophobicContact CD1-CE3 3.73Å; I529-W638 HydrophobicContact CD1-CG 3.67Å; I529-W638 HydrophobicContact CG1-CB 4.15Å; I529-W638 HydrophobicContact CG1-CG 4.46Å; I529-L639 CarbonylContact C-O 3.55Å; I529-L639 VanDerWaalsContact CA-O 3.26Å; I529-L639 WeakPolarHBondContact CA-O 3.45Å
530	K	71.2	Confident	56.7	Low	46 Å²	46	68.7 Å²	68.7	20%	0.2	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.6	165.6	178.7	-179.7	-176.3	178.4	0	108.5	I532 T543 W545 L639	K530-I532 HydrophobicContact CG-CG1 4.45Å; K530-T543 WeakPolarHBondContact CE-O 3.38Å; K530-T543 WeakPolarHBondContact CE-OG1 3.3Å; K530-W545 HydrophobicContact CB-CD2 3.98Å; K530-W545 HydrophobicContact CB-CE3 3.7Å; K530-W545 HydrophobicContact CB-CH2 4.23Å; K530-W545 HydrophobicContact CB-CZ2 4.45Å; K530-W545 HydrophobicContact CB-CZ3 3.87Å; K530-L639 HydrophobicContact CB-CB 4.25Å; K530-L639 HydrophobicContact CD-CD1 4.45Å; K530-L639 PolarHBondContact N-O 3.29Å; K530-L639 PolarHBondContact O-N 2.8Å
531	H	68.6	Low	56.2	Low	79 Å²	79	78 Å²	78	37%	0.366	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.8	-179.9	-178.8	-100.3	0	0	0	110.8	K533 H635 W638	H531-K533 VanDerWaalsContact CE1-CD 3.44Å; H531-K533 WeakPolarHBondContact CE1-CD 3.49Å; H531-K533 WeakPolarHBondContact CE1-CG 3.26Å; H531-H635 PolarHBondContact CD2-O 3.47Å; H531-H635 VanDerWaalsContact CD2-O 3.25Å; H531-H635 PolarHBondContact NE2-O 3.39Å; H531-W638 AromaticContact CD2-CD1 3.48Å; H531-W638 VanDerWaalsContact CD2-CD1 3.48Å; H531-W638 AromaticContact CD2-NE1 3.55Å
532	I	63.5	Low	55.5	Low	54 Å²	54	82 Å²	82	28%	0.277	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	102.6	-179.6	-54.7	179.6	0	0	0	107.4	K530 T637 L639	K530-I532 HydrophobicContact CG-CG1 4.45Å; I532-T637 PolarHBondContact N-O 3.49Å; I532-T637 PolarHBondContact O-N 2.61Å; I532-T637 VanDerWaalsContact O-N 3.11Å; I532-L639 HydrophobicContact CD1-CD1 3.43Å; I532-L639 VanDerWaalsContact CD1-CD1 3.43Å; I532-L639 HydrophobicContact CD1-CD2 4.35Å; I532-L639 HydrophobicContact CD1-CG 3.72Å; I532-L639 HydrophobicContact CG1-CD1 4.47Å; I532-L639 HydrophobicContact CG1-CG 4.44Å
533	K	58.2	Low	55.4	Low	116 Å²	116	77.7 Å²	77.7	50%	0.504	40%	0.4	S	S	.	.	S	Bend	trans	-94.9	-25.7	175.4	-105.5	-175.6	-167.4	-165.4	0	114.9	H531 D634 H635	H531-K533 VanDerWaalsContact CE1-CD 3.44Å; H531-K533 WeakPolarHBondContact CE1-CD 3.49Å; H531-K533 WeakPolarHBondContact CE1-CG 3.26Å; K533-D634 WeakPolarHBondContact CE-O 3.25Å; K533-D634 PolarHBondContact NZ-O 2.95Å; K533-H635 WeakPolarHBondContact CE-O 3.25Å
534	T	47	Very low	55.2	Low	126 Å²	126	81 Å²	81	77%	0.773	42%	0.424	S	S	*	.			trans	162.2	111.2	176.7	15.9	0	0	0	0	104.5
535	I	47.5	Very low	55.5	Low	70 Å²	70	82.4 Å²	82.4	36%	0.359	42%	0.423	S	S	.	.			trans	-127.9	105.2	-177.7	-52.5	-179	0	0	0	111.3	A540 T543	I535-A540 HydrophobicContact CG2-CB 3.72Å; I535-T543 HydrophobicContact CD1-CG2 4.29Å
536	P	40.4	Very low	55.7	Low	110 Å²	110	85.3 Å²	85.3	71%	0.714	44%	0.435	S	S	*	.			trans	-61.4	144.3	163.1	-23.2	34.9	0	0	0	112.8	A538 L539	P536-A538 VanDerWaalsContact C-N 3.3Å; P536-A538 PolarHBondContact O-N 3.03Å; P536-L539 PolarHBondContact O-N 3.29Å
537	R	37.9	Very low	55.8	Low	235 Å²	235	86.3 Å²	86.3	89%	0.887	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.8	-152.9	-135.1	168.9	-178.5	170.5	-1.1	117.1
538	A	39.7	Very low	55.8	Low	86 Å²	86	88.2 Å²	88.2	71%	0.711	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-20.8	-176	0	0	0	0	0	114.5	P536	P536-A538 VanDerWaalsContact C-N 3.3Å; P536-A538 PolarHBondContact O-N 3.03Å
539	L	39.7	Very low	55.8	Low	126 Å²	126	88 Å²	88	66%	0.66	45%	0.448	S	S	*	.	S	Bend	trans	-121.5	15	-166.6	-64.2	173.7	0	0	0	114.8	P536 W541	P536-L539 PolarHBondContact O-N 3.29Å; L539-W541 PolarHBondContact O-N 2.99Å
540	A	42.1	Very low	55.9	Low	42 Å²	42	88 Å²	88	35%	0.347	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-78.1	-10.9	-174.5	0	0	0	0	0	116	I535 I542	I535-A540 HydrophobicContact CG2-CB 3.72Å; A540-I542 PolarHBondContact O-N 2.91Å
541	W	40.6	Very low	56	Low	213 Å²	213	87.4 Å²	87.4	81%	0.807	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-72	-9.5	178.7	62	-83.8	0	0	0	113.1	L539	L539-W541 PolarHBondContact O-N 2.99Å
542	I	40.2	Very low	55.9	Low	105 Å²	105	83.7 Å²	83.7	54%	0.538	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-95.9	-2	-171.8	-58.1	178.2	0	0	0	113.9	A540 S544	A540-I542 PolarHBondContact O-N 2.91Å; I542-S544 PolarHBondContact O-N 2.95Å
543	T	53.4	Low	56.1	Low	54 Å²	54	83 Å²	83	33%	0.331	42%	0.424	S	S	.	.			trans	-96.9	86.1	169.8	52.1	0	0	0	0	111.5	K530 I535	K530-T543 WeakPolarHBondContact CE-O 3.38Å; K530-T543 WeakPolarHBondContact CE-OG1 3.3Å; I535-T543 HydrophobicContact CD1-CG2 4.29Å
544	S	58.9	Low	56.3	Low	84 Å²	84	80.1 Å²	80.1	59%	0.587	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-63.1	140.8	172	58	0	0	0	0	111.3	I542 Q546	I542-S544 PolarHBondContact O-N 2.95Å; S544-Q546 PolarHBondContact O-N 3.09Å
545	W	68.6	Low	57.1	Low	83 Å²	83	74.6 Å²	74.6	31%	0.314	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-56.2	122.4	168.5	-71.8	95.6	0	0	0	110.5	K528 K530 L639 K641	K528-W545 HydrophobicContact CB-CB 4.19Å; K528-W545 HydrophobicContact CB-CD2 4.27Å; K528-W545 HydrophobicContact CB-CE3 3.65Å; K528-W545 HydrophobicContact CB-CZ3 4.38Å; K528-W545 HydrophobicContact CD-CB 4.23Å; K528-W545 HydrophobicContact CG-CB 4.49Å; K528-W545 VanDerWaalsContact O-CZ3 3.32Å; K528-W545 WeakPolarHBondContact O-CZ3 3.33Å; K530-W545 HydrophobicContact CB-CD2 3.98Å; K530-W545 HydrophobicContact CB-CE3 3.7Å; K530-W545 HydrophobicContact CB-CH2 4.23Å; K530-W545 HydrophobicContact CB-CZ2 4.45Å; K530-W545 HydrophobicContact CB-CZ3 3.87Å; W545-L639 HydrophobicContact CH2-CB 3.65Å; W545-L639 HydrophobicContact CZ3-CB 4.01Å; W545-L639 VanDerWaalsContact CZ3-O 3.3Å; W545-L639 WeakPolarHBondContact CZ3-O 3.19Å; W545-K641 HydrophobicContact CH2-CB 4.31Å; W545-K641 HydrophobicContact CH2-CD 3.69Å; W545-K641 HydrophobicContact CH2-CG 3.56Å; W545-K641 HydrophobicContact CZ2-CD 3.79Å; W545-K641 HydrophobicContact CZ2-CG 4.19Å; W545-K641 HydrophobicContact CZ3-CB 4.06Å; W545-K641 HydrophobicContact CZ3-CD 4.25Å; W545-K641 HydrophobicContact CZ3-CG 3.81Å
546	Q	71.6	Confident	58.2	Low	69 Å²	69	74.5 Å²	74.5	32%	0.322	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.5	177.3	-66.1	-175.7	-15.7	0	0	109.7	K528 I529 S544	K528-Q546 CarbonylContact C-O 3.52Å; K528-Q546 WeakPolarHBondContact CA-O 3.45Å; I529-Q546 HydrophobicContact CG2-CB 4.24Å; I529-Q546 PolarHBondContact N-O 3.03Å; I529-Q546 PolarHBondContact O-N 3.02Å; S544-Q546 PolarHBondContact O-N 3.09Å
547	V	67.8	Low	59.8	Low	35 Å²	35	69.5 Å²	69.5	21%	0.212	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	124.1	176.3	-173	0	0	0	0	108.7	T526 K528 F562 H643	T526-V547 HydrophobicContact CG2-CG1 3.45Å; T526-V547 VanDerWaalsContact CG2-CG1 3.45Å; K528-V547 HydrophobicContact CG-CG2 4.18Å; V547-F562 HydrophobicContact CB-CB 4.49Å; V547-F562 HydrophobicContact CG1-CB 3.87Å; V547-F562 HydrophobicContact CG1-CD1 4.01Å; V547-F562 HydrophobicContact CG1-CG 4.09Å; V547-H643 HydrophobicContact CG1-CB 4.07Å; V547-H643 VanDerWaalsContact CG2-CE1 3.47Å; V547-H643 WeakPolarHBondContact CG2-CE1 3.19Å; V547-H643 WeakPolarHBondContact CG2-ND1 3.41Å
548	R	71.1	Confident	61.6	Low	41 Å²	41	58.5 Å²	58.5	16%	0.155	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	150	177.4	-60.6	-169.1	-173.9	-178.9	-2	109.9	V527 I529 F550 W559 N560	V527-R548 PolarHBondContact N-O 3.32Å; V527-R548 PolarHBondContact O-N 2.9Å; I529-R548 HydrophobicContact CG2-CG 3.86Å; R548-F550 HydrophobicContact CB-CD2 4Å; R548-F550 HydrophobicContact CB-CE2 3.61Å; R548-F550 HydrophobicContact CB-CZ 4.43Å; R548-F550 HydrophobicContact CG-CE2 4.49Å; R548-W559 VanDerWaalsContact CD-CD1 3.5Å; R548-N560 CarbonylContact C-O 3.59Å; R548-N560 VanDerWaalsContact CA-O 3.28Å; R548-N560 WeakPolarHBondContact CA-O 3.07Å; R548-N560 VanDerWaalsContact CB-O 3.3Å; R548-N560 WeakPolarHBondContact CB-O 3.45Å
549	E	73.2	Confident	63.2	Low	67 Å²	67	55.5 Å²	55.5	31%	0.313	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	131.4	163.9	-168.2	174.4	-176.8	0	0	108	W559 N560 F562 W603	E549-W559 CarbonylContact O-C 3.47Å; E549-W559 WeakPolarHBondContact O-CA 3.35Å; E549-W559 WeakPolarHBondContact O-CB 3.47Å; E549-N560 PolarHBondContact N-O 3.18Å; E549-N560 PolarHBondContact O-N 3.46Å; E549-F562 HydrophobicContact CB-CD2 4.36Å; E549-W603 HydrophobicContact CB-CH2 4.32Å; E549-W603 HydrophobicContact CG-CH2 3.89Å
550	F	73.5	Confident	64.7	Low	7 Å²	7	50.6 Å²	50.6	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	144.3	176.1	-81.6	-97.8	0	0	0	110.2	T524 G525 V527 I529 R548 I557 A558 W559 W638 W672	T524-F550 WeakPolarHBondContact CA-O 3.4Å; G525-F550 PolarHBondContact N-O 3.24Å; G525-F550 PolarHBondContact O-N 2.65Å; V527-F550 HydrophobicContact CB-CD2 3.58Å; V527-F550 HydrophobicContact CB-CE2 3.96Å; V527-F550 HydrophobicContact CB-CG 4.39Å; V527-F550 HydrophobicContact CG1-CD2 4.39Å; V527-F550 HydrophobicContact CG1-CE2 4.4Å; V527-F550 HydrophobicContact CG2-CB 4.21Å; V527-F550 HydrophobicContact CG2-CD2 3.98Å; V527-F550 HydrophobicContact CG2-CG 4.35Å; I529-F550 HydrophobicContact CB-CE2 4.12Å; I529-F550 HydrophobicContact CB-CZ 4Å; I529-F550 HydrophobicContact CD1-CE1 4.44Å; I529-F550 HydrophobicContact CD1-CZ 3.69Å; I529-F550 HydrophobicContact CG1-CZ 4.38Å; I529-F550 HydrophobicContact CG2-CE2 4.37Å; I529-F550 HydrophobicContact CG2-CZ 4.34Å; R548-F550 HydrophobicContact CB-CD2 4Å; R548-F550 HydrophobicContact CB-CE2 3.61Å; R548-F550 HydrophobicContact CB-CZ 4.43Å; R548-F550 HydrophobicContact CG-CE2 4.49Å; F550-I557 HydrophobicContact CD1-CG2 3.68Å; F550-I557 HydrophobicContact CE1-CG2 4.1Å; F550-A558 CarbonylContact C-O 3.5Å; F550-A558 WeakPolarHBondContact CA-O 3Å; F550-W559 HydrophobicContact CD1-CB 3.76Å; F550-W559 HydrophobicContact CD2-CB 4.28Å; F550-W559 HydrophobicContact CE1-CB 3.66Å; F550-W559 HydrophobicContact CE1-CD2 4.46Å; F550-W559 HydrophobicContact CE1-CE3 4.47Å; F550-W559 HydrophobicContact CE1-CG 4.17Å; F550-W559 HydrophobicContact CE2-CB 4.26Å; F550-W559 HydrophobicContact CG-CB 4.08Å; F550-W559 HydrophobicContact CZ-CB 3.92Å; F550-W559 HydrophobicContact CZ-CG 4.31Å; F550-W638 HydrophobicContact CE1-CZ3 4.41Å; F550-W672 HydrophobicContact CB-CH2 3.67Å; F550-W672 HydrophobicContact CB-CZ2 4.09Å; F550-W672 HydrophobicContact CB-CZ3 4.35Å
551	K	71.9	Confident	66	Low	34 Å²	34	55 Å²	55	15%	0.148	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	117.1	178.3	-179.1	179.1	-148.5	-147.1	0	108.7	L523 T524 E553 A558 W603	L523-K551 CarbonylContact O-C 3.59Å; L523-K551 VanDerWaalsContact O-CA 3.24Å; L523-K551 WeakPolarHBondContact O-CA 3.42Å; T524-K551 HydrophobicContact CG2-CB 4.07Å; T524-K551 HydrophobicContact CG2-CD 4.25Å; T524-K551 HydrophobicContact CG2-CG 3.71Å; K551-E553 HydrophobicContact CD-CG 4.11Å; K551-E553 WeakPolarHBondContact CE-OE1 3.11Å; K551-E553 VanDerWaalsContact CE-OE2 3.24Å; K551-E553 WeakPolarHBondContact CE-OE2 3.43Å; K551-E553 HydrophobicContact CG-CB 4.5Å; K551-E553 HydrophobicContact CG-CG 3.79Å; K551-E553 IonicContact NZ-OE1 3.62Å; K551-E553 PolarHBondContact NZ-OE1 2.91Å; K551-E553 IonicContact NZ-OE2 2.9Å; K551-E553 PolarHBondContact NZ-OE2 3.39Å; K551-A558 HydrophobicContact CB-CB 4.3Å; K551-A558 PolarHBondContact N-O 2.93Å; K551-A558 PolarHBondContact O-N 3.04Å; K551-W603 HydrophobicContact CB-CH2 4.12Å; K551-W603 HydrophobicContact CB-CZ3 3.78Å; K551-W603 HydrophobicContact CD-CH2 4.49Å
552	L	67	Low	66.9	Low	1 Å²	1	48 Å²	48	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116.4	168	-179.3	65.3	0	0	0	107.3	P521 R522 L523 F556 I557 V608 W672 G675 L676 A679	P521-L552 HydrophobicContact CG-CD2 4.02Å; R522-L552 VanDerWaalsContact CA-O 3.29Å; R522-L552 WeakPolarHBondContact CA-O 3.49Å; L523-L552 HydrophobicContact CB-CB 4.16Å; L523-L552 HydrophobicContact CD1-CD2 4.23Å; L523-L552 PolarHBondContact N-O 3.04Å; L523-L552 VanDerWaalsContact N-O 3.14Å; L523-L552 PolarHBondContact O-N 3.22Å; L552-F556 WeakPolarHBondContact CA-O 3.27Å; L552-I557 HydrophobicContact CD1-CG1 3.92Å; L552-V608 HydrophobicContact CD1-CG2 3.85Å; L552-W672 HydrophobicContact CB-CH2 4.29Å; L552-W672 HydrophobicContact CB-CZ3 3.87Å; L552-G675 VanDerWaalsContact CD2-C 3.46Å; L552-G675 WeakPolarHBondContact CD2-O 3.45Å; L552-L676 HydrophobicContact CD1-CD2 4.01Å; L552-L676 HydrophobicContact CD2-CD2 4.29Å; L552-A679 HydrophobicContact CD1-CB 4Å; L552-A679 HydrophobicContact CD2-CB 4.23Å
553	E	67.3	Low	67.5	Low	40 Å²	40	50.8 Å²	50.8	19%	0.187	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	136.8	177.5	-84.7	-169.1	160.7	0	0	110.9	R522 K551 G555 F556	R522-E553 HydrophobicContact CG-CG 4.04Å; R522-E553 IonicContact NE-OE1 3.19Å; K551-E553 HydrophobicContact CD-CG 4.11Å; K551-E553 WeakPolarHBondContact CE-OE1 3.11Å; K551-E553 VanDerWaalsContact CE-OE2 3.24Å; K551-E553 WeakPolarHBondContact CE-OE2 3.43Å; K551-E553 HydrophobicContact CG-CB 4.5Å; K551-E553 HydrophobicContact CG-CG 3.79Å; K551-E553 IonicContact NZ-OE1 3.62Å; K551-E553 PolarHBondContact NZ-OE1 2.91Å; K551-E553 IonicContact NZ-OE2 2.9Å; K551-E553 PolarHBondContact NZ-OE2 3.39Å; E553-G555 PolarHBondContact O-N 3.29Å; E553-F556 PolarHBondContact N-O 3.49Å; E553-F556 WeakPolarHBondContact O-CA 3.09Å; E553-F556 PolarHBondContact O-N 2.92Å; E553-F556 VanDerWaalsContact O-O 3.1Å
554	D	62.9	Low	67.2	Low	54 Å²	54	51.5 Å²	51.5	29%	0.289	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	31	163	-61.2	-19.3	0	0	0	115.9	N520 R522 F556 R598	N520-D554 VanDerWaalsContact ND2-C 3.34Å; N520-D554 VanDerWaalsContact ND2-CA 3.34Å; N520-D554 WeakPolarHBondContact ND2-CA 3.34Å; R522-D554 IonicContact NH2-OD2 3.33Å; D554-F556 WeakPolarHBondContact O-CD2 3.39Å; D554-R598 IonicContact OD2-NH1 2.99Å; D554-R598 PolarHBondContact OD2-NH1 2.73Å
555	G	64.5	Low	66.4	Low	11 Å²	11	57.4 Å²	57.4	11%	0.113	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	13.3	-177.6	0	0	0	0	0	114.3	E553 V608	E553-G555 PolarHBondContact O-N 3.29Å; G555-V608 WeakPolarHBondContact O-CB 3.45Å; G555-V608 WeakPolarHBondContact O-CG2 3.47Å; G555-V608 PolarHBondContact O-N 3.4Å
556	F	70.3	Confident	64.9	Low	68 Å²	68	60.6 Å²	60.6	30%	0.298	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.2	177.4	-59.6	-88.6	0	0	0	110.8	L552 E553 D554 L595 L606	L552-F556 WeakPolarHBondContact CA-O 3.27Å; E553-F556 PolarHBondContact N-O 3.49Å; E553-F556 WeakPolarHBondContact O-CA 3.09Å; E553-F556 PolarHBondContact O-N 2.92Å; E553-F556 VanDerWaalsContact O-O 3.1Å; D554-F556 WeakPolarHBondContact O-CD2 3.39Å; F556-L595 HydrophobicContact CE1-CD2 4Å; F556-L595 HydrophobicContact CZ-CD2 3.94Å; F556-L606 CarbonylContact C-O 3.59Å; F556-L606 WeakPolarHBondContact CA-O 3.46Å
557	I	74.5	Confident	62.7	Low	4 Å²	4	65.4 Å²	65.4	2%	0.021	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	118	161.1	-56.4	176.9	0	0	0	107.3	F550 L552 Y605 L606 V608 I611 L676	F550-I557 HydrophobicContact CD1-CG2 3.68Å; F550-I557 HydrophobicContact CE1-CG2 4.1Å; L552-I557 HydrophobicContact CD1-CG1 3.92Å; I557-Y605 CarbonylContact O-C 3.55Å; I557-Y605 WeakPolarHBondContact O-CA 3.07Å; I557-L606 PolarHBondContact N-O 3.32Å; I557-L606 PolarHBondContact O-N 3.04Å; I557-V608 HydrophobicContact CG1-CG2 4.1Å; I557-I611 HydrophobicContact CD1-CD1 3.37Å; I557-I611 HydrophobicContact CD1-CG1 4.49Å; I557-I611 HydrophobicContact CG1-CD1 4.22Å; I557-L676 HydrophobicContact CD1-CD2 3.34Å; I557-L676 HydrophobicContact CG1-CD2 3.72Å
558	A	74	Confident	60.9	Low	5 Å²	5	68.4 Å²	68.4	4%	0.041	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	144.4	168.6	0	0	0	0	0	110.5	F550 K551 W603 F604 Y605	F550-A558 CarbonylContact C-O 3.5Å; F550-A558 WeakPolarHBondContact CA-O 3Å; K551-A558 HydrophobicContact CB-CB 4.3Å; K551-A558 PolarHBondContact N-O 2.93Å; K551-A558 PolarHBondContact O-N 3.04Å; A558-W603 HydrophobicContact CB-CE3 3.65Å; A558-W603 HydrophobicContact CB-CZ3 4.19Å; A558-F604 CarbonylContact C-O 3.58Å; A558-F604 WeakPolarHBondContact CA-O 3.25Å; A558-Y605 HydrophobicContact CB-CD1 3.47Å; A558-Y605 VanDerWaalsContact CB-CD1 3.47Å; A558-Y605 HydrophobicContact CB-CE1 3.44Å; A558-Y605 VanDerWaalsContact CB-CE1 3.44Å; A558-Y605 HydrophobicContact CB-CG 4.33Å
559	W	74.6	Confident	58.8	Low	22 Å²	22	71.9 Å²	71.9	8%	0.083	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	151.5	168.9	70.2	82.9	0	0	0	112.6	R548 E549 F550 F604 L606 W638	R548-W559 VanDerWaalsContact CD-CD1 3.5Å; E549-W559 CarbonylContact O-C 3.47Å; E549-W559 WeakPolarHBondContact O-CA 3.35Å; E549-W559 WeakPolarHBondContact O-CB 3.47Å; F550-W559 HydrophobicContact CD1-CB 3.76Å; F550-W559 HydrophobicContact CD2-CB 4.28Å; F550-W559 HydrophobicContact CE1-CB 3.66Å; F550-W559 HydrophobicContact CE1-CD2 4.46Å; F550-W559 HydrophobicContact CE1-CE3 4.47Å; F550-W559 HydrophobicContact CE1-CG 4.17Å; F550-W559 HydrophobicContact CE2-CB 4.26Å; F550-W559 HydrophobicContact CG-CB 4.08Å; F550-W559 HydrophobicContact CZ-CB 3.92Å; F550-W559 HydrophobicContact CZ-CG 4.31Å; W559-F604 AromaticContact CD1-CD2 3.83Å; W559-F604 HydrophobicContact CD2-CB 3.76Å; W559-F604 AromaticContact CE2-CG 3.89Å; W559-F604 HydrophobicContact CE3-CB 4.22Å; W559-F604 HydrophobicContact CG-CB 4.27Å; W559-F604 HydrophobicContact CH2-CB 3.83Å; W559-F604 HydrophobicContact CZ2-CB 3.33Å; W559-F604 HydrophobicContact CZ2-CG 4.03Å; W559-F604 HydrophobicContact CZ3-CB 4.21Å; W559-F604 PolarHBondContact N-O 2.83Å; W559-F604 AromaticContact NE1-CD2 3.42Å; W559-F604 AromaticContact NE1-CG 3.55Å; W559-F604 PolarHBondContact O-N 2.93Å; W559-L606 HydrophobicContact CH2-CB 4.28Å; W559-L606 HydrophobicContact CZ3-CB 3.72Å; W559-W638 AromaticContact CE3-CH2 3.99Å; W559-W638 HydrophobicContact CE3-CH2 3.99Å; W559-W638 HydrophobicContact CE3-CZ3 4.23Å; W559-W638 AromaticContact CH2-CH2 3.58Å; W559-W638 HydrophobicContact CH2-CH2 3.58Å; W559-W638 HydrophobicContact CH2-CZ2 4.09Å; W559-W638 HydrophobicContact CZ2-CH2 4.28Å; W559-W638 AromaticContact CZ3-CH2 3.44Å; W559-W638 HydrophobicContact CZ3-CH2 3.44Å; W559-W638 VanDerWaalsContact CZ3-CH2 3.44Å; W559-W638 HydrophobicContact CZ3-CZ2 4.38Å; W559-W638 HydrophobicContact CZ3-CZ3 4.09Å
560	N	71.8	Confident	56.6	Low	24 Å²	24	78 Å²	78	13%	0.128	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.9	174.1	-169.2	5.7	0	0	0	110.2	R548 E549 F562 N602 W603	R548-N560 CarbonylContact C-O 3.59Å; R548-N560 VanDerWaalsContact CA-O 3.28Å; R548-N560 WeakPolarHBondContact CA-O 3.07Å; R548-N560 VanDerWaalsContact CB-O 3.3Å; R548-N560 WeakPolarHBondContact CB-O 3.45Å; E549-N560 PolarHBondContact N-O 3.18Å; E549-N560 PolarHBondContact O-N 3.46Å; N560-F562 PolarHBondContact O-N 2.85Å; N560-N602 VanDerWaalsContact CG-O 3.24Å; N560-N602 PolarHBondContact OD1-O 3.07Å; N560-W603 HydrophobicContact CB-CD2 3.82Å; N560-W603 HydrophobicContact CB-CE3 3.89Å; N560-W603 HydrophobicContact CB-CG 4.32Å; N560-W603 HydrophobicContact CB-CH2 4.37Å; N560-W603 HydrophobicContact CB-CZ2 4.29Å; N560-W603 HydrophobicContact CB-CZ3 4.17Å
561	Y	67.6	Low	54.3	Low	135 Å²	135	83.1 Å²	83.1	53%	0.529	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	132.7	168.3	-75.4	-78.8	0	0	0	109.5	E563 F604	Y561-E563 PolarHBondContact O-N 2.89Å; Y561-E563 VanDerWaalsContact O-N 3.11Å; Y561-F604 HydrophobicContact CE2-CE2 4.28Å
562	F	59.8	Low	52.1	Low	64 Å²	64	91.2 Å²	91.2	28%	0.281	45%	0.45	S	S	.	.			trans	-75.4	103.4	177.1	-171.2	-111	0	0	0	109.1	T526 V547 E549 N560 T564	T526-F562 HydrophobicContact CG2-CB 4.27Å; T526-F562 HydrophobicContact CG2-CD1 4.08Å; T526-F562 HydrophobicContact CG2-CD2 3.51Å; T526-F562 HydrophobicContact CG2-CE1 4.29Å; T526-F562 HydrophobicContact CG2-CE2 3.75Å; T526-F562 HydrophobicContact CG2-CG 3.69Å; T526-F562 HydrophobicContact CG2-CZ 4.13Å; T526-F562 WeakPolarHBondContact OG1-CE2 3.45Å; V547-F562 HydrophobicContact CB-CB 4.49Å; V547-F562 HydrophobicContact CG1-CB 3.87Å; V547-F562 HydrophobicContact CG1-CD1 4.01Å; V547-F562 HydrophobicContact CG1-CG 4.09Å; E549-F562 HydrophobicContact CB-CD2 4.36Å; N560-F562 PolarHBondContact O-N 2.85Å; F562-T564 HydrophobicContact CD1-CG2 3.63Å; F562-T564 HydrophobicContact CE1-CG2 3.53Å; F562-T564 PolarHBondContact O-N 3.42Å
563	E	54.2	Low	50.1	Low	165 Å²	165	98.1 Å²	98.1	77%	0.771	49%	0.486	S	S	*	.			trans	-72.8	90.6	172.6	-74.3	-174.7	-178.9	0	0	109.5	Y561 K565	Y561-E563 PolarHBondContact O-N 2.89Å; Y561-E563 VanDerWaalsContact O-N 3.11Å; E563-K565 PolarHBondContact O-N 3.37Å
564	T	45.8	Very low	48.1	Very low	69 Å²	69	100.7 Å²	100.7	42%	0.423	51%	0.506	S	S	.	.			trans	-66.8	120.6	159.4	49.3	0	0	0	0	107.3	F562 H566	F562-T564 HydrophobicContact CD1-CG2 3.63Å; F562-T564 HydrophobicContact CE1-CG2 3.53Å; F562-T564 PolarHBondContact O-N 3.42Å; T564-H566 CarbonylContact O-C 3.43Å; T564-H566 PolarHBondContact O-N 3.45Å; T564-H566 PolarHBondContact OG1-O 3.04Å
565	K	43	Very low	46.3	Very low	207 Å²	207	105.1 Å²	105.1	90%	0.9	54%	0.535	S	S	*	.	S	Bend	trans	-55.8	4.4	167.5	-76.7	-173.1	177.1	-179.7	0	114.3	E563	E563-K565 PolarHBondContact O-N 3.37Å
566	H	36.2	Very low	44.4	Very low	150 Å²	150	113 Å²	113	69%	0.694	57%	0.567	S	S	*	*	S	Bend	trans	-106.5	106	169.7	-61.8	-52.3	0	0	0	109.1	T564 V568	T564-H566 CarbonylContact O-C 3.43Å; T564-H566 PolarHBondContact O-N 3.45Å; T564-H566 PolarHBondContact OG1-O 3.04Å; H566-V568 VanDerWaalsContact C-N 3.26Å; H566-V568 PolarHBondContact O-N 3.28Å
567	N	26.5	Very low	42.3	Very low	171 Å²	171	119.9 Å²	119.9	91%	0.914	60%	0.597	S	S	*	*			trans	-53.7	84.2	169.6	-75.6	-32	0	0	0	110.8
568	V	28.9	Very low	40.1	Very low	97 Å²	97	123.5 Å²	123.5	59%	0.588	63%	0.627	S	S	*	*			trans	-95.5	100.9	157.8	-176.3	0	0	0	0	105.1	H566 W570	H566-V568 VanDerWaalsContact C-N 3.26Å; H566-V568 PolarHBondContact O-N 3.28Å; V568-W570 PolarHBondContact O-N 3.45Å
569	S	26.6	Very low	37.7	Very low	115 Å²	115	127 Å²	127	80%	0.804	66%	0.664	S	S	*	*			trans	-57.8	103.8	176.3	54.5	0	0	0	0	109.4
570	W	28.6	Very low	35.3	Very low	194 Å²	194	131.7 Å²	131.7	74%	0.735	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-70.8	140.6	172.2	-66.6	91	0	0	0	109.4	V568 K572	V568-W570 PolarHBondContact O-N 3.45Å; W570-K572 PolarHBondContact O-N 2.91Å; W570-K572 VanDerWaalsContact O-N 3.14Å
571	P	24.6	Very low	33.1	Very low	115 Å²	115	139.6 Å²	139.6	75%	0.747	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-60.8	122.2	179.5	22.9	-30.1	0	0	0	109.3	L573	P571-L573 PolarHBondContact O-N 2.88Å; P571-L573 VanDerWaalsContact O-N 3.16Å
572	K	24.6	Very low	31.1	Very low	204 Å²	204	142 Å²	142	89%	0.887	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-56.4	118.7	178.1	-70.5	178.7	178.3	177.5	0	108.6	W570	W570-K572 PolarHBondContact O-N 2.91Å; W570-K572 VanDerWaalsContact O-N 3.14Å
573	L	25.9	Very low	29.5	Very low	146 Å²	146	144.2 Å²	144.2	76%	0.764	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-57.1	139.5	173.8	-89.5	117.9	0	0	0	109.8	P571 T575	P571-L573 PolarHBondContact O-N 2.88Å; P571-L573 VanDerWaalsContact O-N 3.16Å; L573-T575 PolarHBondContact O-N 3.15Å
574	P	24.5	Very low	28.1	Very low	94 Å²	94	143.4 Å²	143.4	61%	0.61	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-63.6	126.9	177.9	-12.4	25.6	0	0	0	109.4	F576	P574-F576 VanDerWaalsContact C-N 3.34Å; P574-F576 HydrophobicContact CB-CD2 4Å; P574-F576 HydrophobicContact CB-CE2 3.74Å; P574-F576 HydrophobicContact CG-CE2 4.09Å; P574-F576 WeakPolarHBondContact O-CD2 3.34Å; P574-F576 PolarHBondContact O-N 2.92Å
575	T	24.9	Very low	27.3	Very low	147 Å²	147	148.3 Å²	148.3	90%	0.902	79%	0.79	S	S	*	*			trans	-64.2	89.7	173.2	31.4	0	0	0	0	109.9	L573 K577	L573-T575 PolarHBondContact O-N 3.15Å; T575-K577 PolarHBondContact O-N 3.15Å
576	F	26.3	Very low	26.4	Very low	178 Å²	178	148 Å²	148	78%	0.781	79%	0.792	S	S	*	*			trans	-82	105.9	172.6	-83.9	-82.4	0	0	0	110.3	P574 A578	P574-F576 VanDerWaalsContact C-N 3.34Å; P574-F576 HydrophobicContact CB-CD2 4Å; P574-F576 HydrophobicContact CB-CE2 3.74Å; P574-F576 HydrophobicContact CG-CE2 4.09Å; P574-F576 WeakPolarHBondContact O-CD2 3.34Å; P574-F576 PolarHBondContact O-N 2.92Å; F576-A578 PolarHBondContact O-N 2.96Å
577	K	25.7	Very low	26	Very low	212 Å²	212	145.3 Å²	145.3	92%	0.922	79%	0.79	S	S	*	*			trans	-70.9	79.6	154.9	-80.4	-177.6	174.7	179	0	107.9	T575	T575-K577 PolarHBondContact O-N 3.15Å
578	A	27.3	Very low	26	Very low	80 Å²	80	142.3 Å²	142.3	66%	0.661	78%	0.782	S	S	*	*			trans	-85.4	113.7	169.7	0	0	0	0	0	108.3	F576 C580	F576-A578 PolarHBondContact O-N 2.96Å; A578-C580 PolarHBondContact O-N 3.38Å
579	G	23.4	Very low	25.8	Very low	79 Å²	79	145.7 Å²	145.7	81%	0.814	79%	0.791	S	S	*	*			trans	-61	100.1	171	0	0	0	0	0	109.8	E581	G579-E581 PolarHBondContact O-N 3.35Å
580	C	25.9	Very low	25.8	Very low	120 Å²	120	150 Å²	150	81%	0.811	79%	0.79	S	S	*	*			trans	-73.5	100.2	157.4	-87	0	0	0	0	106.8	A578 K582	A578-C580 PolarHBondContact O-N 3.38Å; C580-K582 PolarHBondContact O-N 3.26Å; C580-K582 VanDerWaalsContact O-N 3.13Å
581	E	24.8	Very low	25.5	Very low	189 Å²	189	147.3 Å²	147.3	88%	0.883	79%	0.79	S	S	*	*			trans	-50.6	119.2	154.2	-76.4	-175.9	153	0	0	107.4	G579 S583	G579-E581 PolarHBondContact O-N 3.35Å; E581-S583 VanDerWaalsContact C-N 3.32Å; E581-S583 PolarHBondContact O-N 3.28Å
582	K	26.1	Very low	25.6	Very low	187 Å²	187	147.6 Å²	147.6	81%	0.813	78%	0.784	S	S	*	*			trans	-58.4	95.2	178.7	-70.3	176.1	175.6	178.7	0	108.3	C580 N584	C580-K582 PolarHBondContact O-N 3.26Å; C580-K582 VanDerWaalsContact O-N 3.13Å; K582-N584 PolarHBondContact O-N 3.47Å
583	S	25.9	Very low	25.7	Very low	110 Å²	110	143 Å²	143	77%	0.769	78%	0.778	S	S	*	*			trans	-64.5	94.9	157.8	55.9	0	0	0	0	106.3	E581 Q585	E581-S583 VanDerWaalsContact C-N 3.32Å; E581-S583 PolarHBondContact O-N 3.28Å; S583-Q585 PolarHBondContact O-N 3.09Å
584	N	25.5	Very low	25.7	Very low	148 Å²	148	141.2 Å²	141.2	79%	0.791	78%	0.777	S	S	*	*			trans	-63.2	78	169.9	-78.7	-25.1	0	0	0	108.8	K582	K582-N584 PolarHBondContact O-N 3.47Å
585	Q	27.7	Very low	25.9	Very low	171 Å²	171	140.9 Å²	140.9	80%	0.799	77%	0.77	S	S	*	*			trans	-118.4	103.5	151.4	-75.6	-174.7	-4.8	0	0	104.6	S583 S587	S583-Q585 PolarHBondContact O-N 3.09Å; Q585-S587 PolarHBondContact O-N 3.46Å
586	Q	24.8	Very low	26.1	Very low	202 Å²	202	143.8 Å²	143.8	94%	0.944	77%	0.77	S	S	*	*			trans	-58.5	77	160.4	-78.9	166.5	-50.1	0	0	107.2	S588	Q586-S588 PolarHBondContact O-N 3.07Å; Q586-S588 VanDerWaalsContact O-N 3.1Å
587	S	27.1	Very low	26.4	Very low	92 Å²	92	139.5 Å²	139.5	64%	0.643	76%	0.758	S	S	*	*			trans	-58.8	112.7	152	55.1	0	0	0	0	104	Q585 H589	Q585-S587 PolarHBondContact O-N 3.46Å; S587-H589 PolarHBondContact O-N 3.42Å
588	S	26.1	Very low	26.9	Very low	108 Å²	108	137.3 Å²	137.3	76%	0.755	74%	0.744	S	S	*	*			trans	-50.1	96	171.9	39.9	0	0	0	0	108	Q586 R590	Q586-S588 PolarHBondContact O-N 3.07Å; Q586-S588 VanDerWaalsContact O-N 3.1Å; S588-R590 PolarHBondContact O-N 2.96Å
589	H	25.7	Very low	27.4	Very low	168 Å²	168	141.8 Å²	141.8	78%	0.778	75%	0.749	S	S	*	*			trans	-55.7	94.7	157	-102	-80.6	0	0	0	104.1	S587 D591	S587-H589 PolarHBondContact O-N 3.42Å; H589-D591 VanDerWaalsContact C-N 3.29Å; H589-D591 PolarHBondContact O-N 3.38Å
590	R	25.2	Very low	28.5	Very low	205 Å²	205	142.5 Å²	142.5	77%	0.774	73%	0.731	S	S	*	*			trans	-57.6	109.6	155.6	-81.3	-173.6	179.1	-179.6	-0	103.4	S588 I592	S588-R590 PolarHBondContact O-N 2.96Å; R590-I592 VanDerWaalsContact C-N 3.31Å; R590-I592 WeakPolarHBondContact O-CG1 3.38Å; R590-I592 PolarHBondContact O-N 3.25Å
591	D	23.7	Very low	29.9	Very low	138 Å²	138	145.8 Å²	145.8	74%	0.738	73%	0.732	S	S	*	*			trans	-55.3	100.4	171	-86.2	-42.4	0	0	0	107.6	H589 S593	H589-D591 VanDerWaalsContact C-N 3.29Å; H589-D591 PolarHBondContact O-N 3.38Å; D591-S593 PolarHBondContact O-N 3.32Å
592	I	26.4	Very low	31.8	Very low	121 Å²	121	142.2 Å²	142.2	62%	0.621	72%	0.719	S	S	*	*			trans	-75.6	54.7	168.7	-52.9	172.8	0	0	0	107	R590 S594 L595	R590-I592 VanDerWaalsContact C-N 3.31Å; R590-I592 WeakPolarHBondContact O-CG1 3.38Å; R590-I592 PolarHBondContact O-N 3.25Å; I592-S594 VanDerWaalsContact C-N 3.3Å; I592-L595 HydrophobicContact CG2-CB 3.81Å; I592-L595 HydrophobicContact CG2-CD1 3.83Å; I592-L595 HydrophobicContact CG2-CG 4.3Å
593	S	25.9	Very low	34	Very low	109 Å²	109	135.5 Å²	135.5	76%	0.762	69%	0.688	S	S	*	*			trans	-83.9	-9	175.3	57.1	0	0	0	0	112	D591	D591-S593 PolarHBondContact O-N 3.32Å
594	S	26	Very low	36.2	Very low	107 Å²	107	135.2 Å²	135.2	75%	0.748	67%	0.673	S	S	*	*	S	Bend	trans	-97.9	-9.7	179	62.9	0	0	0	0	115.4	I592 K596	I592-S594 VanDerWaalsContact C-N 3.3Å; S594-K596 PolarHBondContact O-N 3.04Å
595	L	29.2	Very low	38.5	Very low	88 Å²	88	132.4 Å²	132.4	46%	0.461	65%	0.652	S	S	.	*	S	Bend	trans	-73.7	105.8	163.6	-103.3	83.1	0	0	0	107.3	F556 I592 T597	F556-L595 HydrophobicContact CE1-CD2 4Å; F556-L595 HydrophobicContact CZ-CD2 3.94Å; I592-L595 HydrophobicContact CG2-CB 3.81Å; I592-L595 HydrophobicContact CG2-CD1 3.83Å; I592-L595 HydrophobicContact CG2-CG 4.3Å; L595-T597 HydrophobicContact CB-CG2 4.43Å; L595-T597 PolarHBondContact O-N 2.9Å
596	K	28.4	Very low	40.7	Very low	207 Å²	207	124.3 Å²	124.3	90%	0.9	62%	0.615	S	S	*	*			trans	-55.2	80.4	157.9	-77.6	178.7	175.8	176.2	0	108	S594 R598	S594-K596 PolarHBondContact O-N 3.04Å; K596-R598 PolarHBondContact O-N 2.84Å
597	T	34.3	Very low	43.3	Very low	88 Å²	88	115.7 Å²	115.7	54%	0.54	58%	0.577	S	S	.	*			trans	-61.1	107.7	177.1	37.3	0	0	0	0	106.4	L595 K599	L595-T597 HydrophobicContact CB-CG2 4.43Å; L595-T597 PolarHBondContact O-N 2.9Å; T597-K599 PolarHBondContact O-N 3.26Å
598	R	34.8	Very low	45.6	Very low	166 Å²	166	111.4 Å²	111.4	63%	0.626	55%	0.546	S	S	*	.			trans	-57.7	88	158.4	-88.6	-176.5	173.7	160.3	2	106	D554 K596 E600 Y605	D554-R598 IonicContact OD2-NH1 2.99Å; D554-R598 PolarHBondContact OD2-NH1 2.73Å; K596-R598 PolarHBondContact O-N 2.84Å; R598-E600 PolarHBondContact O-N 3.09Å; R598-Y605 PolarHBondContact O-OH 3.1Å
599	K	39.6	Very low	47.8	Very low	174 Å²	174	110.9 Å²	110.9	76%	0.757	54%	0.535	S	S	*	.			trans	-79.5	75	172.1	-68.8	-175.3	-179	178.1	0	107.4	T597 K601	T597-K599 PolarHBondContact O-N 3.26Å; K599-K601 PolarHBondContact O-N 3.34Å
600	E	45.9	Very low	50.2	Low	95 Å²	95	105.8 Å²	105.8	44%	0.444	51%	0.512	S	S	.	.			trans	-64.4	119.7	154.3	-71.7	-177.1	171.4	0	0	105.8	R598 N602 W603	R598-E600 PolarHBondContact O-N 3.09Å; E600-N602 PolarHBondContact O-N 3.27Å; E600-W603 HydrophobicContact CB-CG 4.48Å; E600-W603 PolarHBondContact O-N 2.9Å
601	K	54.4	Low	52.6	Low	188 Å²	188	96.5 Å²	96.5	82%	0.817	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	136.5	-176.5	-73.1	179	178.2	175.8	0	109.3	K599 W603	K599-K601 PolarHBondContact O-N 3.34Å; K601-W603 PolarHBondContact O-N 3.41Å
602	N	65.6	Low	55.1	Low	114 Å²	114	94.5 Å²	94.5	61%	0.61	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	0.6	176	-50.5	-22.8	0	0	0	117.6	N560 E600	N560-N602 VanDerWaalsContact CG-O 3.24Å; N560-N602 PolarHBondContact OD1-O 3.07Å; E600-N602 PolarHBondContact O-N 3.27Å
603	W	71.3	Confident	57.5	Low	47 Å²	47	93.1 Å²	93.1	18%	0.178	46%	0.457	C	S	.	.			trans	-89.7	138	172.7	-70	83.1	0	0	0	111.9	E549 K551 A558 N560 E600 K601 Y605	E549-W603 HydrophobicContact CB-CH2 4.32Å; E549-W603 HydrophobicContact CG-CH2 3.89Å; K551-W603 HydrophobicContact CB-CH2 4.12Å; K551-W603 HydrophobicContact CB-CZ3 3.78Å; K551-W603 HydrophobicContact CD-CH2 4.49Å; A558-W603 HydrophobicContact CB-CE3 3.65Å; A558-W603 HydrophobicContact CB-CZ3 4.19Å; N560-W603 HydrophobicContact CB-CD2 3.82Å; N560-W603 HydrophobicContact CB-CE3 3.89Å; N560-W603 HydrophobicContact CB-CG 4.32Å; N560-W603 HydrophobicContact CB-CH2 4.37Å; N560-W603 HydrophobicContact CB-CZ2 4.29Å; N560-W603 HydrophobicContact CB-CZ3 4.17Å; E600-W603 HydrophobicContact CB-CG 4.48Å; E600-W603 PolarHBondContact O-N 2.9Å; K601-W603 PolarHBondContact O-N 3.41Å; W603-Y605 HydrophobicContact CB-CD2 4.37Å; W603-Y605 HydrophobicContact CB-CE1 4.42Å; W603-Y605 HydrophobicContact CB-CE2 3.52Å; W603-Y605 WeakPolarHBondContact CB-OH 3.26Å; W603-Y605 WeakPolarHBondContact O-CE2 3.38Å
604	F	71.8	Confident	60	Low	103 Å²	103	88.4 Å²	88.4	45%	0.452	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	144.6	166.3	-61	-85.5	0	0	0	108.7	A558 W559 Y561	A558-F604 CarbonylContact C-O 3.58Å; A558-F604 WeakPolarHBondContact CA-O 3.25Å; W559-F604 AromaticContact CD1-CD2 3.83Å; W559-F604 HydrophobicContact CD2-CB 3.76Å; W559-F604 AromaticContact CE2-CG 3.89Å; W559-F604 HydrophobicContact CE3-CB 4.22Å; W559-F604 HydrophobicContact CG-CB 4.27Å; W559-F604 HydrophobicContact CH2-CB 3.83Å; W559-F604 HydrophobicContact CZ2-CB 3.33Å; W559-F604 HydrophobicContact CZ2-CG 4.03Å; W559-F604 HydrophobicContact CZ3-CB 4.21Å; W559-F604 PolarHBondContact N-O 2.83Å; W559-F604 AromaticContact NE1-CD2 3.42Å; W559-F604 AromaticContact NE1-CG 3.55Å; W559-F604 PolarHBondContact O-N 2.93Å; Y561-F604 HydrophobicContact CE2-CE2 4.28Å
605	Y	75.1	Confident	62.6	Low	90 Å²	90	88 Å²	88	35%	0.353	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.2	-176	-61.2	-93.5	0	0	0	110	I557 A558 R598 W603	I557-Y605 CarbonylContact O-C 3.55Å; I557-Y605 WeakPolarHBondContact O-CA 3.07Å; A558-Y605 HydrophobicContact CB-CD1 3.47Å; A558-Y605 VanDerWaalsContact CB-CD1 3.47Å; A558-Y605 HydrophobicContact CB-CE1 3.44Å; A558-Y605 VanDerWaalsContact CB-CE1 3.44Å; A558-Y605 HydrophobicContact CB-CG 4.33Å; R598-Y605 PolarHBondContact O-OH 3.1Å; W603-Y605 HydrophobicContact CB-CD2 4.37Å; W603-Y605 HydrophobicContact CB-CE1 4.42Å; W603-Y605 HydrophobicContact CB-CE2 3.52Å; W603-Y605 WeakPolarHBondContact CB-OH 3.26Å; W603-Y605 WeakPolarHBondContact O-CE2 3.38Å
606	L	74.5	Confident	65.1	Low	1 Å²	1	84 Å²	84	1%	0.005	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	127.5	169.8	-178.1	86.1	0	0	0	107.1	F556 I557 W559 E610 I611 T632 H635 W638	F556-L606 CarbonylContact C-O 3.59Å; F556-L606 WeakPolarHBondContact CA-O 3.46Å; I557-L606 PolarHBondContact N-O 3.32Å; I557-L606 PolarHBondContact O-N 3.04Å; W559-L606 HydrophobicContact CH2-CB 4.28Å; W559-L606 HydrophobicContact CZ3-CB 3.72Å; L606-E610 HydrophobicContact CD1-CB 4.04Å; L606-E610 WeakPolarHBondContact CD1-OE2 3.37Å; L606-E610 HydrophobicContact CG-CB 4.29Å; L606-I611 HydrophobicContact CD2-CD1 4.34Å; L606-I611 HydrophobicContact CD2-CG1 3.81Å; L606-T632 HydrophobicContact CD2-CG2 3.8Å; L606-H635 WeakPolarHBondContact CD1-CD2 3.27Å; L606-W638 HydrophobicContact CB-CH2 4.03Å; L606-W638 HydrophobicContact CD1-CH2 4.29Å; L606-W638 HydrophobicContact CD1-CZ2 4.47Å; L606-W638 HydrophobicContact CD2-CH2 3.66Å; L606-W638 HydrophobicContact CD2-CZ2 4.3Å; L606-W638 HydrophobicContact CD2-CZ3 3.96Å; L606-W638 HydrophobicContact CG-CH2 4.22Å
607	S	77.6	Confident	67.5	Low	21 Å²	21	75.8 Å²	75.8	15%	0.147	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	137.2	169.2	-172.7	0	0	0	0	109.3	D609 E610	S607-D609 PolarHBondContact O-N 3.43Å; S607-D609 PolarHBondContact OG-N 2.84Å; S607-D609 PolarHBondContact OG-OD2 3.44Å; S607-E610 WeakPolarHBondContact O-CB 3.32Å; S607-E610 PolarHBondContact O-N 3.03Å
608	V	75.3	Confident	69.6	Low	1 Å²	1	77.1 Å²	77.1	1%	0.006	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-63.5	-23.4	177.1	173.8	0	0	0	0	111.2	L552 G555 I557 E610 I611 A679 M680	L552-V608 HydrophobicContact CD1-CG2 3.85Å; G555-V608 WeakPolarHBondContact O-CB 3.45Å; G555-V608 WeakPolarHBondContact O-CG2 3.47Å; G555-V608 PolarHBondContact O-N 3.4Å; I557-V608 HydrophobicContact CG1-CG2 4.1Å; V608-E610 PolarHBondContact O-N 3.41Å; V608-I611 HydrophobicContact CB-CD1 4.42Å; V608-I611 HydrophobicContact CG1-CD1 4.14Å; V608-I611 HydrophobicContact CG2-CD1 4.42Å; V608-I611 WeakPolarHBondContact O-CB 3.44Å; V608-I611 WeakPolarHBondContact O-CG1 3.39Å; V608-I611 PolarHBondContact O-N 3.36Å; V608-I611 VanDerWaalsContact O-N 3.1Å; V608-A679 HydrophobicContact CB-CB 4.39Å; V608-A679 VanDerWaalsContact CG1-C 3.48Å; V608-A679 HydrophobicContact CG1-CB 3.82Å; V608-A679 HydrophobicContact CG2-CB 4.01Å; V608-M680 VanDerWaalsContact CG1-CA 3.5Å; V608-M680 HydrophobicContact CG1-CB 4.02Å; V608-M680 HydrophobicContact CG1-CG 3.37Å; V608-M680 VanDerWaalsContact CG1-N 3.29Å
609	D	74.3	Confident	71.4	Confident	98 Å²	98	71.7 Å²	71.7	52%	0.524	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-63.4	-20.5	172.2	-64.5	-45.1	0	0	0	114.1	S607 I611 S683	S607-D609 PolarHBondContact O-N 3.43Å; S607-D609 PolarHBondContact OG-N 2.84Å; S607-D609 PolarHBondContact OG-OD2 3.44Å; D609-I611 VanDerWaalsContact C-N 3.26Å; D609-S683 WeakPolarHBondContact OD1-CB 3.48Å; D609-S683 PolarHBondContact OD1-OG 3.47Å
610	E	75.4	Confident	73	Confident	61 Å²	61	73.6 Å²	73.6	29%	0.285	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-84.1	-4.6	177.2	-64.9	173.2	-146.8	0	0	112.6	L606 S607 V608 T632 C633 H635	L606-E610 HydrophobicContact CD1-CB 4.04Å; L606-E610 WeakPolarHBondContact CD1-OE2 3.37Å; L606-E610 HydrophobicContact CG-CB 4.29Å; S607-E610 WeakPolarHBondContact O-CB 3.32Å; S607-E610 PolarHBondContact O-N 3.03Å; V608-E610 PolarHBondContact O-N 3.41Å; E610-T632 CarbonylContact O-C 3.5Å; E610-T632 VanDerWaalsContact O-CA 3.22Å; E610-T632 WeakPolarHBondContact O-CA 3.46Å; E610-T632 WeakPolarHBondContact O-CB 3.41Å; E610-C633 PolarHBondContact O-N 2.73Å; E610-C633 PolarHBondContact O-SG 3.38Å; E610-H635 IonicContact OE2-CD2 3.8Å; E610-H635 IonicContact OE2-NE2 2.82Å
611	I	75.8	Confident	74.1	Confident	9 Å²	9	72.3 Å²	72.3	5%	0.046	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	115.7	176.7	-54.8	174.9	0	0	0	108.3	I557 L606 V608 D609 V614 I630 E631 T632 L676 M680	I557-I611 HydrophobicContact CD1-CD1 3.37Å; I557-I611 HydrophobicContact CD1-CG1 4.49Å; I557-I611 HydrophobicContact CG1-CD1 4.22Å; L606-I611 HydrophobicContact CD2-CD1 4.34Å; L606-I611 HydrophobicContact CD2-CG1 3.81Å; V608-I611 HydrophobicContact CB-CD1 4.42Å; V608-I611 HydrophobicContact CG1-CD1 4.14Å; V608-I611 HydrophobicContact CG2-CD1 4.42Å; V608-I611 WeakPolarHBondContact O-CB 3.44Å; V608-I611 WeakPolarHBondContact O-CG1 3.39Å; V608-I611 PolarHBondContact O-N 3.36Å; V608-I611 VanDerWaalsContact O-N 3.1Å; D609-I611 VanDerWaalsContact C-N 3.26Å; I611-V614 HydrophobicContact CG2-CG2 3.48Å; I611-V614 VanDerWaalsContact CG2-CG2 3.48Å; I611-I630 HydrophobicContact CD1-CG2 4.3Å; I611-I630 HydrophobicContact CG1-CG2 4.25Å; I611-I630 HydrophobicContact CG2-CG2 3.69Å; I611-E631 CarbonylContact C-O 3.47Å; I611-T632 HydrophobicContact CG1-CG2 4.49Å; I611-L676 HydrophobicContact CD1-CD2 4.39Å; I611-M680 HydrophobicContact CB-CE 4.19Å; I611-M680 HydrophobicContact CB-CG 4.39Å; I611-M680 HydrophobicContact CB-SD 4.16Å; I611-M680 HydrophobicContact CG2-CE 3.85Å; I611-M680 HydrophobicContact CG2-SD 3.71Å; I611-M680 WeakPolarHBondContact O-CE 3.47Å
612	L	75.8	Confident	74.9	Confident	96 Å²	96	65.9 Å²	65.9	50%	0.503	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-41.7	176.9	-68.9	175.6	0	0	0	111.4	E631 C633	L612-E631 HydrophobicContact CB-CG 4.46Å; L612-E631 HydrophobicContact CD1-CG 4.41Å; L612-E631 PolarHBondContact N-O 3.47Å; L612-C633 WeakPolarHBondContact CD2-SG 3.1Å; L612-C633 VanDerWaalsContact CG-SG 3.6Å
613	H	77.4	Confident	75	Confident	93 Å²	93	65.3 Å²	65.3	43%	0.431	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	140.1	-172.5	-176.9	-106.6	0	0	0	111.2	I630 E631	H613-I630 CarbonylContact O-C 3.29Å; H613-I630 WeakPolarHBondContact O-CA 3.01Å; H613-E631 HydrophobicContact CB-CB 4.24Å; H613-E631 PolarHBondContact N-O 3.48Å; H613-E631 PolarHBondContact O-N 3.35Å
614	V	78.3	Confident	75.2	Confident	10 Å²	10	65.4 Å²	65.4	6%	0.061	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.7	171.5	-175.6	0	0	0	0	108.5	I611 E629 I630 L673 L676 M680	I611-V614 HydrophobicContact CG2-CG2 3.48Å; I611-V614 VanDerWaalsContact CG2-CG2 3.48Å; V614-E629 CarbonylContact C-O 3.56Å; V614-E629 WeakPolarHBondContact CA-O 2.97Å; V614-I630 HydrophobicContact CG1-CG1 4.16Å; V614-I630 HydrophobicContact CG2-CG1 4.27Å; V614-I630 HydrophobicContact CG2-CG2 4.22Å; V614-L673 HydrophobicContact CB-CD1 4.34Å; V614-L673 HydrophobicContact CG1-CD1 3.53Å; V614-L676 HydrophobicContact CG1-CB 4.48Å; V614-L676 HydrophobicContact CG1-CD1 4.13Å; V614-L676 HydrophobicContact CG2-CB 4.34Å; V614-L676 HydrophobicContact CG2-CD1 4.5Å; V614-M680 HydrophobicContact CB-SD 4.31Å; V614-M680 HydrophobicContact CG2-SD 3.5Å; V614-M680 VanDerWaalsContact CG2-SD 3.5Å
615	K	80.7	Confident	75.3	Confident	99 Å²	99	60.6 Å²	60.6	43%	0.43	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	134.7	-179.8	-172.1	176.7	175.3	-177.1	0	111.8	L628 E629	K615-L628 CarbonylContact O-C 3.53Å; K615-L628 WeakPolarHBondContact O-CA 3.42Å; K615-E629 PolarHBondContact N-O 3.02Å; K615-E629 PolarHBondContact O-N 2.59Å
616	G	80.6	Confident	75.5	Confident	3 Å²	3	58.3 Å²	58.3	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	121.3	164.1	0	0	0	0	0	111.7	Y618 L625	G616-Y618 WeakPolarHBondContact O-CE2 3.2Å; G616-L625 VanDerWaalsContact CA-CD2 3.41Å
617	N	78.6	Confident	75.8	Confident	34 Å²	34	59.7 Å²	59.7	18%	0.182	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116.8	171.7	-76.7	-32.9	0	0	0	109.5	D626 H627 E629	N617-D626 WeakPolarHBondContact O-CB 3.37Å; N617-D626 PolarHBondContact O-N 2.87Å; N617-H627 PolarHBondContact N-O 3.46Å; N617-H627 PolarHBondContact ND2-NE2 3Å; N617-H627 PolarHBondContact O-N 3.1Å; N617-E629 PolarHBondContact ND2-OE2 3.17Å
618	Y	78.5	Confident	76	Confident	117 Å²	117	58.7 Å²	58.7	46%	0.459	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	147.8	-176.6	-59.9	-94.1	0	0	0	112	G616 P623 H624 L625	G616-Y618 WeakPolarHBondContact O-CE2 3.2Å; Y618-P623 WeakPolarHBondContact CD1-O 3.26Å; Y618-H624 CarbonylContact C-O 3.55Å; Y618-H624 WeakPolarHBondContact CA-O 3.36Å; Y618-L625 HydrophobicContact CD1-CD2 3.72Å; Y618-L625 HydrophobicContact CD1-CG 3.95Å; Y618-L625 HydrophobicContact CD2-CD2 4.09Å; Y618-L625 HydrophobicContact CE1-CD2 3.48Å; Y618-L625 VanDerWaalsContact CE1-CD2 3.48Å; Y618-L625 HydrophobicContact CE1-CG 3.65Å; Y618-L625 HydrophobicContact CE2-CD2 3.85Å; Y618-L625 HydrophobicContact CG-CD2 4.02Å
619	Q	73.4	Confident	76.4	Confident	52 Å²	52	61.6 Å²	61.6	24%	0.243	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-64.2	136.9	171.1	-65.1	-178.6	7.9	0	0	109.9	G621 T622 H624 D626	Q619-G621 PolarHBondContact O-N 2.9Å; Q619-G621 VanDerWaalsContact O-N 3.14Å; Q619-T622 WeakPolarHBondContact CB-OG1 3.05Å; Q619-T622 PolarHBondContact O-N 3.46Å; Q619-T622 PolarHBondContact O-OG1 3.3Å; Q619-H624 PolarHBondContact N-O 3.07Å; Q619-D626 HydrophobicContact CG-CB 3.62Å
620	K	72.9	Confident	76.7	Confident	213 Å²	213	57.1 Å²	57.1	93%	0.926	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	121	-175.9	-73.6	-175.9	178.9	179.4	0	111.7	T622	K620-T622 VanDerWaalsContact C-N 3.31Å
621	G	69.7	Low	76.8	Confident	69 Å²	69	58.4 Å²	58.4	71%	0.711	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	7	175.6	0	0	0	0	0	115	Q619	Q619-G621 PolarHBondContact O-N 2.9Å; Q619-G621 VanDerWaalsContact O-N 3.14Å
622	T	70.6	Confident	76.8	Confident	52 Å²	52	58.2 Å²	58.2	32%	0.319	30%	0.301	S	S	.	.	S	Bend	trans	-126.4	156.1	176.5	77.2	0	0	0	0	110.5	Q619 K620 H624	Q619-T622 WeakPolarHBondContact CB-OG1 3.05Å; Q619-T622 PolarHBondContact O-N 3.46Å; Q619-T622 PolarHBondContact O-OG1 3.3Å; K620-T622 VanDerWaalsContact C-N 3.31Å; T622-H624 PolarHBondContact O-N 3.2Å; T622-H624 PolarHBondContact OG1-N 3.22Å
623	P	67.3	Low	76.6	Confident	103 Å²	103	56.8 Å²	56.8	67%	0.669	30%	0.298	S	S	*	.	S	Bend	trans	-77.1	5.7	171.4	33.5	-35.7	0	0	0	113	Y618	Y618-P623 WeakPolarHBondContact CD1-O 3.26Å
624	H	74.9	Confident	76.1	Confident	49 Å²	49	58 Å²	58	23%	0.227	31%	0.308	C	S	.	.			trans	-89.9	130.8	-172.7	-61.2	-54.1	0	0	0	112.2	Y618 Q619 T622 D626 S666	Y618-H624 CarbonylContact C-O 3.55Å; Y618-H624 WeakPolarHBondContact CA-O 3.36Å; Q619-H624 PolarHBondContact N-O 3.07Å; T622-H624 PolarHBondContact O-N 3.2Å; T622-H624 PolarHBondContact OG1-N 3.22Å; H624-D626 PolarHBondContact O-N 3.07Å; H624-S666 WeakPolarHBondContact CA-OG 3.42Å
625	L	74.2	Confident	75.5	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	128	174	-74.8	168.5	0	0	0	110.4	G616 Y618 S666 L669 D670 L673	G616-L625 VanDerWaalsContact CA-CD2 3.41Å; Y618-L625 HydrophobicContact CD1-CD2 3.72Å; Y618-L625 HydrophobicContact CD1-CG 3.95Å; Y618-L625 HydrophobicContact CD2-CD2 4.09Å; Y618-L625 HydrophobicContact CE1-CD2 3.48Å; Y618-L625 VanDerWaalsContact CE1-CD2 3.48Å; Y618-L625 HydrophobicContact CE1-CG 3.65Å; Y618-L625 HydrophobicContact CE2-CD2 3.85Å; Y618-L625 HydrophobicContact CG-CD2 4.02Å; L625-S666 PolarHBondContact N-OG 2.75Å; L625-L669 HydrophobicContact CB-CB 3.94Å; L625-L669 HydrophobicContact CB-CD1 3.93Å; L625-L669 HydrophobicContact CD1-CB 4.01Å; L625-D670 HydrophobicContact CD1-CB 3.9Å; L625-L673 HydrophobicContact CD1-CD2 4.38Å
626	D	79.5	Confident	75.1	Confident	41 Å²	41	57 Å²	57	22%	0.219	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-47.9	175.3	-178.4	48.9	0	0	0	111.5	N617 Q619 H624 K641	N617-D626 WeakPolarHBondContact O-CB 3.37Å; N617-D626 PolarHBondContact O-N 2.87Å; Q619-D626 HydrophobicContact CG-CB 3.62Å; H624-D626 PolarHBondContact O-N 3.07Å; D626-K641 WeakPolarHBondContact O-CD 3.34Å; D626-K641 VanDerWaalsContact O-CE 3.27Å; D626-K641 WeakPolarHBondContact O-CE 3.39Å; D626-K641 WeakPolarHBondContact O-CG 3.43Å; D626-K641 WeakPolarHBondContact OD1-CE 3.43Å; D626-K641 IonicContact OD1-NZ 3.95Å; D626-K641 PolarHBondContact OD1-NZ 3.14Å; D626-K641 WeakPolarHBondContact OD2-CE 3.41Å; D626-K641 IonicContact OD2-NZ 2.7Å; D626-K641 PolarHBondContact OD2-NZ 3.15Å
627	H	81.6	Confident	74.9	Confident	31 Å²	31	58.1 Å²	58.1	14%	0.144	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	161.7	177.9	55	-79.5	0	0	0	111.7	N617 V640 K641	N617-H627 PolarHBondContact N-O 3.46Å; N617-H627 PolarHBondContact ND2-NE2 3Å; N617-H627 PolarHBondContact O-N 3.1Å; H627-V640 CarbonylContact C-O 3.54Å; H627-V640 VanDerWaalsContact CA-O 3.23Å; H627-V640 WeakPolarHBondContact CA-O 3.19Å; H627-V640 VanDerWaalsContact CB-O 3.27Å; H627-V640 WeakPolarHBondContact CB-O 3Å; H627-K641 HydrophobicContact CB-CD 4.14Å; H627-K641 HydrophobicContact CB-CG 3.44Å; H627-K641 VanDerWaalsContact CB-CG 3.44Å
628	L	81.8	Confident	75	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	143.8	164.5	-51	-178.3	0	0	0	109.8	K615 L639 V640 L669 W672 L673 L676	K615-L628 CarbonylContact O-C 3.53Å; K615-L628 WeakPolarHBondContact O-CA 3.42Å; L628-L639 CarbonylContact O-C 3.57Å; L628-L639 VanDerWaalsContact O-CA 3.3Å; L628-L639 WeakPolarHBondContact O-CA 3.29Å; L628-V640 HydrophobicContact CB-CB 4.14Å; L628-V640 HydrophobicContact CB-CG1 4.23Å; L628-V640 HydrophobicContact CD1-CG1 4.34Å; L628-V640 HydrophobicContact CG-CG1 4.48Å; L628-V640 PolarHBondContact N-O 2.95Å; L628-V640 PolarHBondContact O-N 3.3Å; L628-L669 HydrophobicContact CD1-CD2 4.17Å; L628-L669 HydrophobicContact CD2-CB 4.23Å; L628-L669 HydrophobicContact CD2-CD2 4.41Å; L628-L669 HydrophobicContact CG-CB 4.44Å; L628-L669 HydrophobicContact CG-CD2 3.75Å; L628-W672 HydrophobicContact CD1-CB 3.76Å; L628-L673 HydrophobicContact CD1-CB 4.16Å; L628-L673 HydrophobicContact CD2-CB 3.8Å; L628-L673 HydrophobicContact CD2-CD1 4.26Å; L628-L673 HydrophobicContact CD2-CD2 4.38Å; L628-L673 HydrophobicContact CD2-CG 4.38Å; L628-L676 HydrophobicContact CD1-CD1 4.47Å
629	E	82.6	Confident	75.1	Confident	61 Å²	61	52.3 Å²	52.3	29%	0.285	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	114.8	172	-177.9	174.4	179.8	0	0	107.8	V614 K615 N617 T637 W638 L639	V614-E629 CarbonylContact C-O 3.56Å; V614-E629 WeakPolarHBondContact CA-O 2.97Å; K615-E629 PolarHBondContact N-O 3.02Å; K615-E629 PolarHBondContact O-N 2.59Å; N617-E629 PolarHBondContact ND2-OE2 3.17Å; E629-T637 HydrophobicContact CG-CG2 3.44Å; E629-T637 VanDerWaalsContact CG-CG2 3.44Å; E629-W638 CarbonylContact C-O 3.56Å; E629-W638 WeakPolarHBondContact CA-O 3.26Å; E629-L639 HydrophobicContact CB-CD2 3.98Å; E629-L639 HydrophobicContact CG-CD2 3.85Å
630	I	81.4	Confident	75.4	Confident	4 Å²	4	50 Å²	50	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	108.8	-178.2	-55	175.6	0	0	0	107.1	I611 H613 V614 T632 T637 W638 V640 L676	I611-I630 HydrophobicContact CD1-CG2 4.3Å; I611-I630 HydrophobicContact CG1-CG2 4.25Å; I611-I630 HydrophobicContact CG2-CG2 3.69Å; H613-I630 CarbonylContact O-C 3.29Å; H613-I630 WeakPolarHBondContact O-CA 3.01Å; V614-I630 HydrophobicContact CG1-CG1 4.16Å; V614-I630 HydrophobicContact CG2-CG1 4.27Å; V614-I630 HydrophobicContact CG2-CG2 4.22Å; I630-T632 HydrophobicContact CG2-CG2 4.12Å; I630-T637 CarbonylContact O-C 3.58Å; I630-T637 WeakPolarHBondContact O-CA 3.5Å; I630-W638 HydrophobicContact CB-CB 4.23Å; I630-W638 PolarHBondContact N-O 3.46Å; I630-W638 PolarHBondContact O-N 3.43Å; I630-V640 HydrophobicContact CD1-CG2 3.88Å; I630-L676 HydrophobicContact CD1-CD1 3.73Å; I630-L676 HydrophobicContact CG1-CD1 4.37Å
631	E	78.1	Confident	75.8	Confident	89 Å²	89	42.2 Å²	42.2	42%	0.416	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.6	173.5	-169.4	172.9	-169	0	0	109.1	I611 L612 H613	I611-E631 CarbonylContact C-O 3.47Å; L612-E631 HydrophobicContact CB-CG 4.46Å; L612-E631 HydrophobicContact CD1-CG 4.41Å; L612-E631 PolarHBondContact N-O 3.47Å; H613-E631 HydrophobicContact CB-CB 4.24Å; H613-E631 PolarHBondContact N-O 3.48Å; H613-E631 PolarHBondContact O-N 3.35Å
632	T	76.2	Confident	76	Confident	5 Å²	5	39.7 Å²	39.7	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	154.9	-178.2	62	0	0	0	0	110.1	L606 E610 I611 I630 H635 G636	L606-T632 HydrophobicContact CD2-CG2 3.8Å; E610-T632 CarbonylContact O-C 3.5Å; E610-T632 VanDerWaalsContact O-CA 3.22Å; E610-T632 WeakPolarHBondContact O-CA 3.46Å; E610-T632 WeakPolarHBondContact O-CB 3.41Å; I611-T632 HydrophobicContact CG1-CG2 4.49Å; I630-T632 HydrophobicContact CG2-CG2 4.12Å; T632-H635 HydrophobicContact CG2-CB 4.45Å; T632-H635 WeakPolarHBondContact OG1-CA 3.32Å; T632-H635 WeakPolarHBondContact OG1-CB 3.3Å; T632-H635 PolarHBondContact OG1-N 3.34Å; T632-H635 VanDerWaalsContact OG1-N 3.08Å; T632-G636 PolarHBondContact N-O 2.87Å; T632-G636 PolarHBondContact OG1-N 3.09Å; T632-G636 PolarHBondContact OG1-O 2.92Å
633	C	69.9	Low	75.9	Confident	65 Å²	65	38 Å²	38	44%	0.439	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-53.7	179.5	-62.1	0	0	0	0	112	E610 L612	E610-C633 PolarHBondContact O-N 2.73Å; E610-C633 PolarHBondContact O-SG 3.38Å; L612-C633 WeakPolarHBondContact CD2-SG 3.1Å; L612-C633 VanDerWaalsContact CG-SG 3.6Å
634	D	68.3	Low	75.6	Confident	119 Å²	119	34.7 Å²	34.7	64%	0.636	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-17.1	-169.3	-62.1	-40.3	0	0	0	113.3	K533	K533-D634 WeakPolarHBondContact CE-O 3.25Å; K533-D634 PolarHBondContact NZ-O 2.95Å
635	H	65.5	Low	74.5	Confident	70 Å²	70	38.7 Å²	38.7	32%	0.324	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	8.9	-176.2	-60.7	-82.6	0	0	0	113.3	H531 K533 L606 E610 T632 W638	H531-H635 PolarHBondContact CD2-O 3.47Å; H531-H635 VanDerWaalsContact CD2-O 3.25Å; H531-H635 PolarHBondContact NE2-O 3.39Å; K533-H635 WeakPolarHBondContact CE-O 3.25Å; L606-H635 WeakPolarHBondContact CD1-CD2 3.27Å; E610-H635 IonicContact OE2-CD2 3.8Å; E610-H635 IonicContact OE2-NE2 2.82Å; T632-H635 HydrophobicContact CG2-CB 4.45Å; T632-H635 WeakPolarHBondContact OG1-CA 3.32Å; T632-H635 WeakPolarHBondContact OG1-CB 3.3Å; T632-H635 PolarHBondContact OG1-N 3.34Å; T632-H635 VanDerWaalsContact OG1-N 3.08Å; H635-W638 HydrophobicContact CB-CZ2 3.8Å; H635-W638 PolarHBondContact O-NE1 3.11Å; H635-W638 VanDerWaalsContact O-NE1 3.12Å
636	G	71.4	Confident	73.2	Confident	17 Å²	17	41.4 Å²	41.4	18%	0.175	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67	-156.5	178.8	0	0	0	0	0	113.6	T632	T632-G636 PolarHBondContact N-O 2.87Å; T632-G636 PolarHBondContact OG1-N 3.09Å; T632-G636 PolarHBondContact OG1-O 2.92Å
637	T	77.4	Confident	71.2	Confident	27 Å²	27	42.3 Å²	42.3	17%	0.166	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127	-177.9	-48.5	0	0	0	0	111.1	I532 E629 I630 L639	I532-T637 PolarHBondContact N-O 3.49Å; I532-T637 PolarHBondContact O-N 2.61Å; I532-T637 VanDerWaalsContact O-N 3.11Å; E629-T637 HydrophobicContact CG-CG2 3.44Å; E629-T637 VanDerWaalsContact CG-CG2 3.44Å; I630-T637 CarbonylContact O-C 3.58Å; I630-T637 WeakPolarHBondContact O-CA 3.5Å; T637-L639 HydrophobicContact CG2-CD2 4.45Å
638	W	79.8	Confident	69	Low	8 Å²	8	43 Å²	43	3%	0.03	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.7	174.9	-56.2	-1.6	0	0	0	109.3	I529 H531 F550 W559 L606 E629 I630 H635 V640	I529-W638 HydrophobicContact CD1-CB 3.79Å; I529-W638 HydrophobicContact CD1-CD2 3.62Å; I529-W638 HydrophobicContact CD1-CE3 3.73Å; I529-W638 HydrophobicContact CD1-CG 3.67Å; I529-W638 HydrophobicContact CG1-CB 4.15Å; I529-W638 HydrophobicContact CG1-CG 4.46Å; H531-W638 AromaticContact CD2-CD1 3.48Å; H531-W638 VanDerWaalsContact CD2-CD1 3.48Å; H531-W638 AromaticContact CD2-NE1 3.55Å; F550-W638 HydrophobicContact CE1-CZ3 4.41Å; W559-W638 AromaticContact CE3-CH2 3.99Å; W559-W638 HydrophobicContact CE3-CH2 3.99Å; W559-W638 HydrophobicContact CE3-CZ3 4.23Å; W559-W638 AromaticContact CH2-CH2 3.58Å; W559-W638 HydrophobicContact CH2-CH2 3.58Å; W559-W638 HydrophobicContact CH2-CZ2 4.09Å; W559-W638 HydrophobicContact CZ2-CH2 4.28Å; W559-W638 AromaticContact CZ3-CH2 3.44Å; W559-W638 HydrophobicContact CZ3-CH2 3.44Å; W559-W638 VanDerWaalsContact CZ3-CH2 3.44Å; W559-W638 HydrophobicContact CZ3-CZ2 4.38Å; W559-W638 HydrophobicContact CZ3-CZ3 4.09Å; L606-W638 HydrophobicContact CB-CH2 4.03Å; L606-W638 HydrophobicContact CD1-CH2 4.29Å; L606-W638 HydrophobicContact CD1-CZ2 4.47Å; L606-W638 HydrophobicContact CD2-CH2 3.66Å; L606-W638 HydrophobicContact CD2-CZ2 4.3Å; L606-W638 HydrophobicContact CD2-CZ3 3.96Å; L606-W638 HydrophobicContact CG-CH2 4.22Å; E629-W638 CarbonylContact C-O 3.56Å; E629-W638 WeakPolarHBondContact CA-O 3.26Å; I630-W638 HydrophobicContact CB-CB 4.23Å; I630-W638 PolarHBondContact N-O 3.46Å; I630-W638 PolarHBondContact O-N 3.43Å; H635-W638 HydrophobicContact CB-CZ2 3.8Å; H635-W638 PolarHBondContact O-NE1 3.11Å; H635-W638 VanDerWaalsContact O-NE1 3.12Å; W638-V640 HydrophobicContact CB-CG2 4.45Å
639	L	80.1	Confident	67.1	Low	21 Å²	21	47.9 Å²	47.9	11%	0.11	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131.1	165.5	-51.8	-175.7	0	0	0	108.8	I529 K530 I532 W545 L628 E629 T637	I529-L639 CarbonylContact C-O 3.55Å; I529-L639 VanDerWaalsContact CA-O 3.26Å; I529-L639 WeakPolarHBondContact CA-O 3.45Å; K530-L639 HydrophobicContact CB-CB 4.25Å; K530-L639 HydrophobicContact CD-CD1 4.45Å; K530-L639 PolarHBondContact N-O 3.29Å; K530-L639 PolarHBondContact O-N 2.8Å; I532-L639 HydrophobicContact CD1-CD1 3.43Å; I532-L639 VanDerWaalsContact CD1-CD1 3.43Å; I532-L639 HydrophobicContact CD1-CD2 4.35Å; I532-L639 HydrophobicContact CD1-CG 3.72Å; I532-L639 HydrophobicContact CG1-CD1 4.47Å; I532-L639 HydrophobicContact CG1-CG 4.44Å; W545-L639 HydrophobicContact CH2-CB 3.65Å; W545-L639 HydrophobicContact CZ3-CB 4.01Å; W545-L639 VanDerWaalsContact CZ3-O 3.3Å; W545-L639 WeakPolarHBondContact CZ3-O 3.19Å; L628-L639 CarbonylContact O-C 3.57Å; L628-L639 VanDerWaalsContact O-CA 3.3Å; L628-L639 WeakPolarHBondContact O-CA 3.29Å; E629-L639 HydrophobicContact CB-CD2 3.98Å; E629-L639 HydrophobicContact CG-CD2 3.85Å; T637-L639 HydrophobicContact CG2-CD2 4.45Å
640	V	80.7	Confident	64.9	Low	5 Å²	5	50.3 Å²	50.3	3%	0.03	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	121.9	-169.4	157.5	0	0	0	0	108.2	V527 K528 H627 L628 I630 W638	V527-V640 HydrophobicContact CG1-CB 3.97Å; V527-V640 HydrophobicContact CG1-CG1 3.24Å; V527-V640 HydrophobicContact CG1-CG2 4.34Å; K528-V640 CarbonylContact O-C 3.57Å; K528-V640 WeakPolarHBondContact O-CA 3.34Å; H627-V640 CarbonylContact C-O 3.54Å; H627-V640 VanDerWaalsContact CA-O 3.23Å; H627-V640 WeakPolarHBondContact CA-O 3.19Å; H627-V640 VanDerWaalsContact CB-O 3.27Å; H627-V640 WeakPolarHBondContact CB-O 3Å; L628-V640 HydrophobicContact CB-CB 4.14Å; L628-V640 HydrophobicContact CB-CG1 4.23Å; L628-V640 HydrophobicContact CD1-CG1 4.34Å; L628-V640 HydrophobicContact CG-CG1 4.48Å; L628-V640 PolarHBondContact N-O 2.95Å; L628-V640 PolarHBondContact O-N 3.3Å; I630-V640 HydrophobicContact CD1-CG2 3.88Å; W638-V640 HydrophobicContact CB-CG2 4.45Å
641	K	81.9	Confident	62.6	Low	49 Å²	49	52.1 Å²	52.1	21%	0.213	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147	176.5	-74.8	-165.6	175.8	-163.1	0	110.9	V527 K528 W545 D626 H627 H643	V527-K641 CarbonylContact C-O 3.5Å; V527-K641 VanDerWaalsContact CA-O 3.32Å; V527-K641 WeakPolarHBondContact CA-O 3.45Å; V527-K641 WeakPolarHBondContact CG1-O 3.35Å; K528-K641 HydrophobicContact CB-CB 4.24Å; K528-K641 PolarHBondContact N-O 2.86Å; K528-K641 PolarHBondContact O-N 3.49Å; W545-K641 HydrophobicContact CH2-CB 4.31Å; W545-K641 HydrophobicContact CH2-CD 3.69Å; W545-K641 HydrophobicContact CH2-CG 3.56Å; W545-K641 HydrophobicContact CZ2-CD 3.79Å; W545-K641 HydrophobicContact CZ2-CG 4.19Å; W545-K641 HydrophobicContact CZ3-CB 4.06Å; W545-K641 HydrophobicContact CZ3-CD 4.25Å; W545-K641 HydrophobicContact CZ3-CG 3.81Å; D626-K641 WeakPolarHBondContact O-CD 3.34Å; D626-K641 VanDerWaalsContact O-CE 3.27Å; D626-K641 WeakPolarHBondContact O-CE 3.39Å; D626-K641 WeakPolarHBondContact O-CG 3.43Å; D626-K641 WeakPolarHBondContact OD1-CE 3.43Å; D626-K641 IonicContact OD1-NZ 3.95Å; D626-K641 PolarHBondContact OD1-NZ 3.14Å; D626-K641 WeakPolarHBondContact OD2-CE 3.41Å; D626-K641 IonicContact OD2-NZ 2.7Å; D626-K641 PolarHBondContact OD2-NZ 3.15Å; H627-K641 HydrophobicContact CB-CD 4.14Å; H627-K641 HydrophobicContact CB-CG 3.44Å; H627-K641 VanDerWaalsContact CB-CG 3.44Å; K641-H643 PolarHBondContact O-N 3.09Å
642	P	73	Confident	60.6	Low	15 Å²	15	59.2 Å²	59.2	10%	0.097	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	139.9	177.3	26.9	-29	0	0	0	110.6	I665 Y668 L669	P642-I665 HydrophobicContact CG-CB 3.93Å; P642-I665 HydrophobicContact CG-CG1 3.89Å; P642-I665 HydrophobicContact CG-CG2 3.43Å; P642-I665 VanDerWaalsContact CG-CG2 3.43Å; P642-Y668 HydrophobicContact CB-CD1 3.72Å; P642-Y668 HydrophobicContact CB-CE1 4.2Å; P642-Y668 HydrophobicContact CB-CG 4.5Å; P642-L669 HydrophobicContact CG-CD1 4.4Å; P642-L669 HydrophobicContact CG-CG 4.17Å
643	H	68	Low	58.9	Low	16 Å²	16	67.9 Å²	67.9	7%	0.074	36%	0.361	C	S	.	.			trans	-94.2	97.9	172.5	-175.1	74.9	0	0	0	110	T526 K528 V547 K641 N645	T526-H643 HydrophobicContact CG2-CB 3.73Å; T526-H643 VanDerWaalsContact O-CB 3.3Å; T526-H643 WeakPolarHBondContact O-CB 3.28Å; T526-H643 PolarHBondContact O-N 2.93Å; K528-H643 WeakPolarHBondContact CE-ND1 3.15Å; K528-H643 HydrophobicContact CG-CB 4.22Å; V547-H643 HydrophobicContact CG1-CB 4.07Å; V547-H643 VanDerWaalsContact CG2-CE1 3.47Å; V547-H643 WeakPolarHBondContact CG2-CE1 3.19Å; V547-H643 WeakPolarHBondContact CG2-ND1 3.41Å; K641-H643 PolarHBondContact O-N 3.09Å; H643-N645 VanDerWaalsContact C-N 3.35Å; H643-N645 PolarHBondContact O-N 2.68Å
644	L	61.4	Low	57.3	Low	35 Å²	35	66.7 Å²	66.7	18%	0.183	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-76.7	-10.3	-174.9	-69.9	174.4	0	0	0	115.8	G646 Y647 R661 I665	L644-G646 PolarHBondContact O-N 2.97Å; L644-G646 VanDerWaalsContact O-N 3.1Å; L644-Y647 PolarHBondContact O-N 2.75Å; L644-R661 HydrophobicContact CD1-CG 3.59Å; L644-I665 HydrophobicContact CD1-CD1 3.52Å; L644-I665 HydrophobicContact CD1-CG1 3.51Å; L644-I665 HydrophobicContact CD2-CG1 4.09Å; L644-I665 HydrophobicContact CG-CD1 4.48Å; L644-I665 HydrophobicContact CG-CG1 4.04Å
645	N	52.8	Low	56.1	Low	133 Å²	133	67 Å²	67	71%	0.711	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-72.3	-5.5	-172.2	-71.6	-0.9	0	0	0	113.9	H643	H643-N645 VanDerWaalsContact C-N 3.35Å; H643-N645 PolarHBondContact O-N 2.68Å
646	G	45.2	Very low	55	Low	58 Å²	58	68.2 Å²	68.2	60%	0.598	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-104.9	-6.4	174.1	0	0	0	0	0	115.3	L644	L644-G646 PolarHBondContact O-N 2.97Å; L644-G646 VanDerWaalsContact O-N 3.1Å
647	Y	39.4	Very low	54.1	Low	60 Å²	60	69.9 Å²	69.9	24%	0.235	38%	0.384	C	S	.	.	S	Bend	trans	-98.2	127.2	-171.8	-84.4	-82.2	0	0	0	112.9	V490 L644	V490-Y647 HydrophobicContact CG2-CE1 3.66Å; L644-Y647 PolarHBondContact O-N 2.75Å
648	C	35.1	Very low	52.9	Low	46 Å²	46	74.2 Å²	74.2	31%	0.311	41%	0.406	S	S	.	.			trans	40.5	111	166.4	-66.9	0	0	0	0	117.6	D650 L651	C648-D650 HydrophobicContact CB-CB 4.39Å; C648-D650 PolarHBondContact O-N 2.92Å; C648-L651 PolarHBondContact O-N 3.32Å
649	S	40.1	Very low	51.7	Low	102 Å²	102	77.6 Å²	77.6	71%	0.713	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-40	-27.1	159.7	-40.5	0	0	0	0	113.7	L651 R652	S649-L651 PolarHBondContact O-N 2.82Å; S649-R652 PolarHBondContact O-N 3.32Å
650	D	37.2	Very low	50.8	Low	113 Å²	113	79.3 Å²	79.3	60%	0.604	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-70.5	-26.3	-178.3	-58.4	-33.2	0	0	0	113.9	C648 R652 K653	C648-D650 HydrophobicContact CB-CB 4.39Å; C648-D650 PolarHBondContact O-N 2.92Å; D650-R652 PolarHBondContact O-N 3.01Å; D650-K653 PolarHBondContact O-N 3.28Å
651	L	33.7	Very low	50	Low	41 Å²	41	83.8 Å²	83.8	22%	0.215	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-71.8	-16.1	175.9	-90.8	161.3	0	0	0	113.3	C648 S649 K653 L664	C648-L651 PolarHBondContact O-N 3.32Å; S649-L651 PolarHBondContact O-N 2.82Å; L651-K653 PolarHBondContact O-N 3.35Å; L651-L664 HydrophobicContact CD1-CD1 4.01Å; L651-L664 HydrophobicContact CD2-CD1 3.97Å; L651-L664 HydrophobicContact CG-CD1 4.28Å
652	R	36.6	Very low	49.2	Very low	238 Å²	238	83.6 Å²	83.6	90%	0.898	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-73.3	-12.1	175.2	-75.5	-167.6	-178.9	-165.1	2.5	113.4	S649 D650	S649-R652 PolarHBondContact O-N 3.32Å; D650-R652 PolarHBondContact O-N 3.01Å
653	K	39.5	Very low	48.7	Very low	188 Å²	188	90.1 Å²	90.1	82%	0.817	48%	0.483	S	S	*	.	S	Bend	trans	-105.3	-11.2	-169.6	-72.6	-174.6	178.2	177.2	0	116.3	D650 L651	D650-K653 PolarHBondContact O-N 3.28Å; L651-K653 PolarHBondContact O-N 3.35Å
654	S	36.9	Very low	48.6	Very low	39 Å²	39	92.9 Å²	92.9	27%	0.273	50%	0.497	S	S	.	.			trans	-99.6	109	180	59	0	0	0	0	111.6	T656 V657	S654-T656 PolarHBondContact O-N 3.34Å; S654-V657 WeakPolarHBondContact O-CA 3.47Å; S654-V657 WeakPolarHBondContact O-CG2 3.32Å; S654-V657 PolarHBondContact O-N 2.94Å
655	S	42.1	Very low	48.9	Very low	126 Å²	126	92.1 Å²	92.1	88%	0.881	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-7.9	176	50.9	0	0	0	0	114.2	V657	S655-V657 PolarHBondContact O-N 3.2Å
656	T	43.3	Very low	49.6	Very low	96 Å²	96	86.5 Å²	86.5	59%	0.589	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	32.4	166.9	35.3	0	0	0	0	112.7	S654 N658 T660	S654-T656 PolarHBondContact O-N 3.34Å; T656-N658 PolarHBondContact O-N 3.3Å; T656-T660 PolarHBondContact O-OG1 2.96Å
657	V	51.1	Low	50.7	Low	52 Å²	52	87 Å²	87	32%	0.315	45%	0.452	S	S	.	.	H	α-helix	trans	-54.9	-41	-162.7	-169	0	0	0	0	113.7	S654 S655 R661	S654-V657 WeakPolarHBondContact O-CA 3.47Å; S654-V657 WeakPolarHBondContact O-CG2 3.32Å; S654-V657 PolarHBondContact O-N 2.94Å; S655-V657 PolarHBondContact O-N 3.2Å; V657-R661 WeakPolarHBondContact O-CB 3.39Å; V657-R661 PolarHBondContact O-N 2.83Å
658	N	53.8	Low	52.1	Low	118 Å²	118	86 Å²	86	63%	0.631	45%	0.447	S	S	*	.	H	α-helix	trans	-71.4	-50.8	-164.4	-74.9	-7.1	0	0	0	113.3	T656 T660 R661 D662	T656-N658 PolarHBondContact O-N 3.3Å; N658-T660 VanDerWaalsContact C-N 3.34Å; N658-T660 PolarHBondContact O-N 3.09Å; N658-R661 PolarHBondContact O-N 2.99Å; N658-D662 WeakPolarHBondContact O-CB 3.39Å; N658-D662 PolarHBondContact O-N 3.34Å
659	S	54.8	Low	54	Low	78 Å²	78	83.9 Å²	83.9	55%	0.545	43%	0.433	S	S	.	.	H	α-helix	trans	-65.4	-39	-178.2	56.5	0	0	0	0	112.2	R663	S659-R663 VanDerWaalsContact O-CB 3.3Å; S659-R663 WeakPolarHBondContact O-CB 3.22Å; S659-R663 PolarHBondContact O-N 3.31Å
660	T	61.3	Low	55.4	Low	57 Å²	57	81 Å²	81	35%	0.35	41%	0.41	S	S	.	.	H	α-helix	trans	-68.8	-40.1	179	-43	0	0	0	0	110.8	T656 N658 R663 L664	T656-T660 PolarHBondContact O-OG1 2.96Å; N658-T660 VanDerWaalsContact C-N 3.34Å; N658-T660 PolarHBondContact O-N 3.09Å; T660-R663 PolarHBondContact O-N 3.24Å; T660-L664 HydrophobicContact CG2-CD1 4.45Å; T660-L664 VanDerWaalsContact O-CG 3.32Å; T660-L664 WeakPolarHBondContact O-CG 3.45Å; T660-L664 PolarHBondContact O-N 2.9Å
661	R	62.6	Low	56.8	Low	100 Å²	100	78 Å²	78	38%	0.377	39%	0.394	S	S	.	.	H	α-helix	trans	-65.4	-46.5	176.3	-178.9	-177.7	179.7	156.3	8.8	112	L644 V657 N658 R663 L664 I665	L644-R661 HydrophobicContact CD1-CG 3.59Å; V657-R661 WeakPolarHBondContact O-CB 3.39Å; V657-R661 PolarHBondContact O-N 2.83Å; N658-R661 PolarHBondContact O-N 2.99Å; R661-R663 VanDerWaalsContact C-N 3.29Å; R661-R663 PolarHBondContact O-N 3.14Å; R661-L664 PolarHBondContact O-N 3.35Å; R661-I665 HydrophobicContact CG-CD1 3.95Å; R661-I665 WeakPolarHBondContact O-CB 3.5Å; R661-I665 VanDerWaalsContact O-CG1 3.23Å; R661-I665 WeakPolarHBondContact O-CG1 3.43Å; R661-I665 PolarHBondContact O-N 3.43Å
662	D	65.1	Low	58.8	Low	45 Å²	45	76.6 Å²	76.6	24%	0.241	39%	0.385	C	S	.	.	H	α-helix	trans	-63.6	-38.2	178.5	-71.3	-32.9	0	0	0	111.4	N658 S666	N658-D662 WeakPolarHBondContact O-CB 3.39Å; N658-D662 PolarHBondContact O-N 3.34Å; D662-S666 VanDerWaalsContact O-CB 3.27Å; D662-S666 WeakPolarHBondContact O-CB 3.02Å; D662-S666 PolarHBondContact O-N 3.45Å
663	R	63.9	Low	60.7	Low	152 Å²	152	65.4 Å²	65.4	57%	0.574	34%	0.343	S	S	*	.	H	α-helix	trans	-61.6	-48.9	173.1	-176.8	177.2	173.6	172.4	1.1	112.2	S659 T660 R661 S666 E667	S659-R663 VanDerWaalsContact O-CB 3.3Å; S659-R663 WeakPolarHBondContact O-CB 3.22Å; S659-R663 PolarHBondContact O-N 3.31Å; T660-R663 PolarHBondContact O-N 3.24Å; R661-R663 VanDerWaalsContact C-N 3.29Å; R661-R663 PolarHBondContact O-N 3.14Å; R663-S666 WeakPolarHBondContact O-CB 3.1Å; R663-S666 PolarHBondContact O-N 3.37Å; R663-S666 VanDerWaalsContact O-N 3.16Å; R663-E667 HydrophobicContact CG-CG 4.47Å; R663-E667 WeakPolarHBondContact CG-OE1 3.47Å; R663-E667 IonicContact CZ-OE1 3.61Å; R663-E667 IonicContact NE-OE1 2.83Å; R663-E667 PolarHBondContact NE-OE1 3.41Å; R663-E667 IonicContact NH2-OE1 3.5Å; R663-E667 WeakPolarHBondContact O-CG 3.41Å; R663-E667 PolarHBondContact O-N 2.9Å
664	L	64.4	Low	62	Low	73 Å²	73	59.3 Å²	59.3	38%	0.382	32%	0.315	S	S	.	.	H	α-helix	trans	-64.7	-40.1	178.8	-72.4	169.4	0	0	0	112.7	L651 T660 R661 S666 E667 Y668	L651-L664 HydrophobicContact CD1-CD1 4.01Å; L651-L664 HydrophobicContact CD2-CD1 3.97Å; L651-L664 HydrophobicContact CG-CD1 4.28Å; T660-L664 HydrophobicContact CG2-CD1 4.45Å; T660-L664 VanDerWaalsContact O-CG 3.32Å; T660-L664 WeakPolarHBondContact O-CG 3.45Å; T660-L664 PolarHBondContact O-N 2.9Å; R661-L664 PolarHBondContact O-N 3.35Å; L664-S666 VanDerWaalsContact C-N 3.29Å; L664-S666 PolarHBondContact O-N 2.92Å; L664-E667 PolarHBondContact O-N 3.36Å; L664-Y668 WeakPolarHBondContact O-CB 3.29Å; L664-Y668 PolarHBondContact O-N 3.11Å
665	I	68.2	Low	63.6	Low	20 Å²	20	57.4 Å²	57.4	10%	0.103	30%	0.302	C	S	.	.	H	α-helix	trans	-57.1	-48.4	171.7	-71.5	164.4	0	0	0	109.6	P642 L644 R661 Y668 L669	P642-I665 HydrophobicContact CG-CB 3.93Å; P642-I665 HydrophobicContact CG-CG1 3.89Å; P642-I665 HydrophobicContact CG-CG2 3.43Å; P642-I665 VanDerWaalsContact CG-CG2 3.43Å; L644-I665 HydrophobicContact CD1-CD1 3.52Å; L644-I665 HydrophobicContact CD1-CG1 3.51Å; L644-I665 HydrophobicContact CD2-CG1 4.09Å; L644-I665 HydrophobicContact CG-CD1 4.48Å; L644-I665 HydrophobicContact CG-CG1 4.04Å; R661-I665 HydrophobicContact CG-CD1 3.95Å; R661-I665 WeakPolarHBondContact O-CB 3.5Å; R661-I665 VanDerWaalsContact O-CG1 3.23Å; R661-I665 WeakPolarHBondContact O-CG1 3.43Å; R661-I665 PolarHBondContact O-N 3.43Å; I665-Y668 PolarHBondContact O-N 2.85Å; I665-L669 HydrophobicContact CG2-CD1 3.92Å; I665-L669 WeakPolarHBondContact O-CB 3.02Å; I665-L669 WeakPolarHBondContact O-CG 3.39Å; I665-L669 PolarHBondContact O-N 3.09Å
666	S	68.6	Low	65.2	Low	15 Å²	15	51.5 Å²	51.5	11%	0.105	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-45.4	-178.1	-171.6	0	0	0	0	111.9	H624 L625 D662 R663 L664 L669 D670	H624-S666 WeakPolarHBondContact CA-OG 3.42Å; L625-S666 PolarHBondContact N-OG 2.75Å; D662-S666 VanDerWaalsContact O-CB 3.27Å; D662-S666 WeakPolarHBondContact O-CB 3.02Å; D662-S666 PolarHBondContact O-N 3.45Å; R663-S666 WeakPolarHBondContact O-CB 3.1Å; R663-S666 PolarHBondContact O-N 3.37Å; R663-S666 VanDerWaalsContact O-N 3.16Å; L664-S666 VanDerWaalsContact C-N 3.29Å; L664-S666 PolarHBondContact O-N 2.92Å; S666-L669 PolarHBondContact O-N 3.41Å; S666-D670 WeakPolarHBondContact O-CB 3.4Å; S666-D670 PolarHBondContact O-N 2.82Å
667	E	67.4	Low	66.6	Low	69 Å²	69	48 Å²	48	32%	0.322	24%	0.237	S	C	.	.	H	α-helix	trans	-63.2	-42.3	178.3	-73.5	170.9	-177.4	0	0	111.2	R663 L664 D670 L671	R663-E667 HydrophobicContact CG-CG 4.47Å; R663-E667 WeakPolarHBondContact CG-OE1 3.47Å; R663-E667 IonicContact CZ-OE1 3.61Å; R663-E667 IonicContact NE-OE1 2.83Å; R663-E667 PolarHBondContact NE-OE1 3.41Å; R663-E667 IonicContact NH2-OE1 3.5Å; R663-E667 WeakPolarHBondContact O-CG 3.41Å; R663-E667 PolarHBondContact O-N 2.9Å; L664-E667 PolarHBondContact O-N 3.36Å; E667-D670 PolarHBondContact O-N 3.47Å; E667-L671 WeakPolarHBondContact O-CG 3.4Å; E667-L671 PolarHBondContact O-N 3.41Å
668	Y	68.6	Low	67.4	Low	37 Å²	37	45.8 Å²	45.8	15%	0.145	22%	0.224	C	C	.	.	H	α-helix	trans	-64.5	-43.9	176.2	-171.8	-94.3	0	0	0	112.5	T524 G525 V527 P642 L664 I665 D670 L671 W672	T524-Y668 PolarHBondContact O-OH 3Å; G525-Y668 WeakPolarHBondContact CA-OH 3.42Å; V527-Y668 HydrophobicContact CG2-CE1 4.49Å; P642-Y668 HydrophobicContact CB-CD1 3.72Å; P642-Y668 HydrophobicContact CB-CE1 4.2Å; P642-Y668 HydrophobicContact CB-CG 4.5Å; L664-Y668 WeakPolarHBondContact O-CB 3.29Å; L664-Y668 PolarHBondContact O-N 3.11Å; I665-Y668 PolarHBondContact O-N 2.85Å; Y668-D670 VanDerWaalsContact C-N 3.33Å; Y668-L671 PolarHBondContact O-N 3.46Å; Y668-W672 AromaticContact CD1-CD1 3.63Å; Y668-W672 AromaticContact CD1-NE1 3.99Å; Y668-W672 AromaticContact CE1-CD1 3.24Å; Y668-W672 HydrophobicContact CE1-CG 4.46Å; Y668-W672 AromaticContact CE1-NE1 3.13Å; Y668-W672 AromaticContact CE2-NE1 3.92Å; Y668-W672 AromaticContact CZ-CD1 3.59Å; Y668-W672 AromaticContact CZ-NE1 3.07Å; Y668-W672 PolarHBondContact O-N 3.32Å; Y668-W672 VanDerWaalsContact O-N 3.1Å; Y668-W672 PolarHBondContact OH-NE1 3.41Å
669	L	75.2	Confident	68.1	Low	2 Å²	2	40.2 Å²	40.2	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-66.9	-35.9	176.5	-75.4	173.9	0	0	0	112.3	L625 L628 P642 I665 S666 W672 L673	L625-L669 HydrophobicContact CB-CB 3.94Å; L625-L669 HydrophobicContact CB-CD1 3.93Å; L625-L669 HydrophobicContact CD1-CB 4.01Å; L628-L669 HydrophobicContact CD1-CD2 4.17Å; L628-L669 HydrophobicContact CD2-CB 4.23Å; L628-L669 HydrophobicContact CD2-CD2 4.41Å; L628-L669 HydrophobicContact CG-CB 4.44Å; L628-L669 HydrophobicContact CG-CD2 3.75Å; P642-L669 HydrophobicContact CG-CD1 4.4Å; P642-L669 HydrophobicContact CG-CG 4.17Å; I665-L669 HydrophobicContact CG2-CD1 3.92Å; I665-L669 WeakPolarHBondContact O-CB 3.02Å; I665-L669 WeakPolarHBondContact O-CG 3.39Å; I665-L669 PolarHBondContact O-N 3.09Å; S666-L669 PolarHBondContact O-N 3.41Å; L669-W672 PolarHBondContact O-N 2.83Å; L669-L673 VanDerWaalsContact O-CB 3.28Å; L669-L673 WeakPolarHBondContact O-CB 3.2Å; L669-L673 PolarHBondContact O-N 3.44Å
670	D	70	Confident	68.9	Low	43 Å²	43	38.3 Å²	38.3	23%	0.23	18%	0.177	C	C	.	.	H	α-helix	trans	-65.2	-40.9	176.6	-171.9	38.9	0	0	0	110.8	L625 S666 E667 Y668 W672 L673 R674	L625-D670 HydrophobicContact CD1-CB 3.9Å; S666-D670 WeakPolarHBondContact O-CB 3.4Å; S666-D670 PolarHBondContact O-N 2.82Å; E667-D670 PolarHBondContact O-N 3.47Å; Y668-D670 VanDerWaalsContact C-N 3.33Å; D670-W672 PolarHBondContact O-N 2.9Å; D670-L673 PolarHBondContact O-N 2.75Å; D670-R674 VanDerWaalsContact O-CB 3.31Å; D670-R674 WeakPolarHBondContact O-CB 3.44Å; D670-R674 WeakPolarHBondContact O-CD 3.32Å; D670-R674 WeakPolarHBondContact O-CG 3.47Å; D670-R674 PolarHBondContact O-N 3.05Å; D670-R674 IonicContact OD1-CZ 2.88Å; D670-R674 IonicContact OD1-NE 3.06Å; D670-R674 PolarHBondContact OD1-NE 3.01Å; D670-R674 IonicContact OD1-NH2 2.7Å; D670-R674 PolarHBondContact OD1-NH2 2.96Å; D670-R674 IonicContact OD2-CZ 2.69Å; D670-R674 IonicContact OD2-NE 3.42Å; D670-R674 PolarHBondContact OD2-NE 3.4Å; D670-R674 IonicContact OD2-NH1 3.92Å; D670-R674 IonicContact OD2-NH2 3.5Å; D670-R674 PolarHBondContact OD2-NH2 3.03Å
671	L	66.7	Low	69.1	Low	50 Å²	50	36.6 Å²	36.6	26%	0.262	17%	0.167	S	C	.	.	H	α-helix	trans	-59.7	-45.6	171.5	-73.6	170.2	0	0	0	112.3	W482 E667 Y668 G675	W482-L671 HydrophobicContact CH2-CD2 4.18Å; W482-L671 HydrophobicContact CZ3-CD2 4.09Å; E667-L671 WeakPolarHBondContact O-CG 3.4Å; E667-L671 PolarHBondContact O-N 3.41Å; Y668-L671 PolarHBondContact O-N 3.46Å; L671-G675 PolarHBondContact O-N 3.02Å
672	W	74.7	Confident	69.2	Low	11 Å²	11	32.7 Å²	32.7	4%	0.042	15%	0.152	C	C	.	.	H	α-helix	trans	-66	-44.5	176.7	-89	95.6	0	0	0	112.9	L523 F550 L552 L628 Y668 L669 D670 R674 G675 L676	L523-W672 HydrophobicContact CB-CD2 4.47Å; L523-W672 HydrophobicContact CB-CH2 4.06Å; L523-W672 HydrophobicContact CB-CZ2 4Å; L523-W672 HydrophobicContact CB-CZ3 4.33Å; L523-W672 HydrophobicContact CD1-CD2 4.28Å; L523-W672 HydrophobicContact CD1-CE3 4.36Å; F550-W672 HydrophobicContact CB-CH2 3.67Å; F550-W672 HydrophobicContact CB-CZ2 4.09Å; F550-W672 HydrophobicContact CB-CZ3 4.35Å; L552-W672 HydrophobicContact CB-CH2 4.29Å; L552-W672 HydrophobicContact CB-CZ3 3.87Å; L628-W672 HydrophobicContact CD1-CB 3.76Å; Y668-W672 AromaticContact CD1-CD1 3.63Å; Y668-W672 AromaticContact CD1-NE1 3.99Å; Y668-W672 AromaticContact CE1-CD1 3.24Å; Y668-W672 HydrophobicContact CE1-CG 4.46Å; Y668-W672 AromaticContact CE1-NE1 3.13Å; Y668-W672 AromaticContact CE2-NE1 3.92Å; Y668-W672 AromaticContact CZ-CD1 3.59Å; Y668-W672 AromaticContact CZ-NE1 3.07Å; Y668-W672 PolarHBondContact O-N 3.32Å; Y668-W672 VanDerWaalsContact O-N 3.1Å; Y668-W672 PolarHBondContact OH-NE1 3.41Å; L669-W672 PolarHBondContact O-N 2.83Å; D670-W672 PolarHBondContact O-N 2.9Å; W672-R674 VanDerWaalsContact C-N 3.32Å; W672-R674 PolarHBondContact O-N 2.96Å; W672-G675 PolarHBondContact O-N 2.99Å; W672-L676 HydrophobicContact CE3-CG 4.46Å; W672-L676 WeakPolarHBondContact O-CB 3.3Å; W672-L676 VanDerWaalsContact O-CG 3.22Å; W672-L676 WeakPolarHBondContact O-CG 3.36Å; W672-L676 PolarHBondContact O-N 3.19Å
673	L	76.1	Confident	69.2	Low	2 Å²	2	31.2 Å²	31.2	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-55.1	-51.2	175.9	177.1	58.7	0	0	0	110	V614 L625 L628 L669 D670 L676 Q677	V614-L673 HydrophobicContact CB-CD1 4.34Å; V614-L673 HydrophobicContact CG1-CD1 3.53Å; L625-L673 HydrophobicContact CD1-CD2 4.38Å; L628-L673 HydrophobicContact CD1-CB 4.16Å; L628-L673 HydrophobicContact CD2-CB 3.8Å; L628-L673 HydrophobicContact CD2-CD1 4.26Å; L628-L673 HydrophobicContact CD2-CD2 4.38Å; L628-L673 HydrophobicContact CD2-CG 4.38Å; L669-L673 VanDerWaalsContact O-CB 3.28Å; L669-L673 WeakPolarHBondContact O-CB 3.2Å; L669-L673 PolarHBondContact O-N 3.44Å; D670-L673 PolarHBondContact O-N 2.75Å; L673-L676 PolarHBondContact O-N 3.16Å; L673-Q677 HydrophobicContact CD1-CG 4.44Å; L673-Q677 WeakPolarHBondContact O-CB 3.49Å; L673-Q677 VanDerWaalsContact O-CG 3.27Å; L673-Q677 WeakPolarHBondContact O-CG 3.43Å; L673-Q677 PolarHBondContact O-N 3.46Å
674	R	68.1	Low	69.2	Low	60 Å²	60	28.2 Å²	28.2	23%	0.226	15%	0.147	C	C	.	.	H	α-helix	trans	-64.9	-44.5	179.1	-68.6	168.6	-173.6	-160.6	-3.1	112.1	Q455 F473 D670 W672 L676 Q677 I678	Q455-R674 VanDerWaalsContact NE2-CZ 3.27Å; F473-R674 HydrophobicContact CD2-CB 4.49Å; D670-R674 VanDerWaalsContact O-CB 3.31Å; D670-R674 WeakPolarHBondContact O-CB 3.44Å; D670-R674 WeakPolarHBondContact O-CD 3.32Å; D670-R674 WeakPolarHBondContact O-CG 3.47Å; D670-R674 PolarHBondContact O-N 3.05Å; D670-R674 IonicContact OD1-CZ 2.88Å; D670-R674 IonicContact OD1-NE 3.06Å; D670-R674 PolarHBondContact OD1-NE 3.01Å; D670-R674 IonicContact OD1-NH2 2.7Å; D670-R674 PolarHBondContact OD1-NH2 2.96Å; D670-R674 IonicContact OD2-CZ 2.69Å; D670-R674 IonicContact OD2-NE 3.42Å; D670-R674 PolarHBondContact OD2-NE 3.4Å; D670-R674 IonicContact OD2-NH1 3.92Å; D670-R674 IonicContact OD2-NH2 3.5Å; D670-R674 PolarHBondContact OD2-NH2 3.03Å; W672-R674 VanDerWaalsContact C-N 3.32Å; W672-R674 PolarHBondContact O-N 2.96Å; R674-L676 VanDerWaalsContact C-N 3.31Å; R674-L676 PolarHBondContact O-N 3.38Å; R674-Q677 PolarHBondContact O-N 3.08Å; R674-I678 WeakPolarHBondContact O-CD1 3.42Å; R674-I678 VanDerWaalsContact O-CG1 3.24Å; R674-I678 WeakPolarHBondContact O-CG1 3.49Å; R674-I678 PolarHBondContact O-N 2.84Å
675	G	70	Confident	68.9	Low	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.2	-42.2	177.1	0	0	0	0	0	112.5	L552 L671 W672 I678 A679	L552-G675 VanDerWaalsContact CD2-C 3.46Å; L552-G675 WeakPolarHBondContact CD2-O 3.45Å; L671-G675 PolarHBondContact O-N 3.02Å; W672-G675 PolarHBondContact O-N 2.99Å; G675-I678 WeakPolarHBondContact O-CB 3.4Å; G675-A679 WeakPolarHBondContact O-CB 3.3Å; G675-A679 PolarHBondContact O-N 2.84Å
676	L	74.8	Confident	68.2	Low	2 Å²	2	35.8 Å²	35.8	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-66.6	-46.1	175.2	-72.8	172.2	0	0	0	111.8	L552 I557 I611 V614 L628 I630 W672 L673 R674 I678 A679 M680	L552-L676 HydrophobicContact CD1-CD2 4.01Å; L552-L676 HydrophobicContact CD2-CD2 4.29Å; I557-L676 HydrophobicContact CD1-CD2 3.34Å; I557-L676 HydrophobicContact CG1-CD2 3.72Å; I611-L676 HydrophobicContact CD1-CD2 4.39Å; V614-L676 HydrophobicContact CG1-CB 4.48Å; V614-L676 HydrophobicContact CG1-CD1 4.13Å; V614-L676 HydrophobicContact CG2-CB 4.34Å; V614-L676 HydrophobicContact CG2-CD1 4.5Å; L628-L676 HydrophobicContact CD1-CD1 4.47Å; I630-L676 HydrophobicContact CD1-CD1 3.73Å; I630-L676 HydrophobicContact CG1-CD1 4.37Å; W672-L676 HydrophobicContact CE3-CG 4.46Å; W672-L676 WeakPolarHBondContact O-CB 3.3Å; W672-L676 VanDerWaalsContact O-CG 3.22Å; W672-L676 WeakPolarHBondContact O-CG 3.36Å; W672-L676 PolarHBondContact O-N 3.19Å; L673-L676 PolarHBondContact O-N 3.16Å; R674-L676 VanDerWaalsContact C-N 3.31Å; R674-L676 PolarHBondContact O-N 3.38Å; L676-I678 VanDerWaalsContact C-N 3.32Å; L676-I678 PolarHBondContact O-N 2.98Å; L676-A679 PolarHBondContact O-N 2.77Å; L676-A679 VanDerWaalsContact O-N 3.09Å; L676-M680 VanDerWaalsContact O-CG 3.27Å; L676-M680 WeakPolarHBondContact O-CG 3.26Å; L676-M680 PolarHBondContact O-N 3.17Å
677	Q	73.2	Confident	68.2	Low	22 Å²	22	36.9 Å²	36.9	10%	0.103	18%	0.181	C	C	.	.	H	α-helix	trans	-59.7	-41.5	176.6	-74	173.9	-19.5	0	0	112	E452 L453 L673 R674 A679 M680 V681	E452-Q677 PolarHBondContact OE2-NE2 3.45Å; L453-Q677 HydrophobicContact CD2-CB 4.18Å; L673-Q677 HydrophobicContact CD1-CG 4.44Å; L673-Q677 WeakPolarHBondContact O-CB 3.49Å; L673-Q677 VanDerWaalsContact O-CG 3.27Å; L673-Q677 WeakPolarHBondContact O-CG 3.43Å; L673-Q677 PolarHBondContact O-N 3.46Å; R674-Q677 PolarHBondContact O-N 3.08Å; Q677-A679 VanDerWaalsContact C-N 3.35Å; Q677-A679 PolarHBondContact O-N 3.32Å; Q677-M680 PolarHBondContact O-N 3.4Å; Q677-V681 WeakPolarHBondContact O-CB 3.36Å; Q677-V681 WeakPolarHBondContact O-CG2 3.41Å; Q677-V681 PolarHBondContact O-N 3.04Å
678	I	67.3	Low	68.3	Low	5 Å²	5	35.2 Å²	35.2	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-54.3	-53.2	170.7	-72.1	158	0	0	0	111.2	L290 F473 V474 P521 R674 G675 L676 M680 V681 R682	L290-I678 HydrophobicContact CD1-CG1 4.25Å; L290-I678 HydrophobicContact CD2-CG1 4.47Å; L290-I678 HydrophobicContact CD2-CG2 4.09Å; F473-I678 HydrophobicContact CD2-CD1 4.27Å; F473-I678 HydrophobicContact CE1-CD1 4.45Å; F473-I678 HydrophobicContact CE1-CG1 3.85Å; F473-I678 HydrophobicContact CE2-CD1 3.11Å; F473-I678 HydrophobicContact CE2-CG1 3.4Å; F473-I678 HydrophobicContact CZ-CB 4.35Å; F473-I678 HydrophobicContact CZ-CD1 3.32Å; F473-I678 HydrophobicContact CZ-CG1 2.94Å; V474-I678 HydrophobicContact CG2-CD1 4.41Å; V474-I678 HydrophobicContact CG2-CG1 4.4Å; P521-I678 HydrophobicContact CB-CD1 4.38Å; P521-I678 HydrophobicContact CG-CB 4.03Å; P521-I678 HydrophobicContact CG-CD1 4.2Å; P521-I678 HydrophobicContact CG-CG2 3.69Å; R674-I678 WeakPolarHBondContact O-CD1 3.42Å; R674-I678 VanDerWaalsContact O-CG1 3.24Å; R674-I678 WeakPolarHBondContact O-CG1 3.49Å; R674-I678 PolarHBondContact O-N 2.84Å; G675-I678 WeakPolarHBondContact O-CB 3.4Å; L676-I678 VanDerWaalsContact C-N 3.32Å; L676-I678 PolarHBondContact O-N 2.98Å; I678-M680 VanDerWaalsContact C-N 3.27Å; I678-M680 PolarHBondContact O-N 2.98Å; I678-V681 PolarHBondContact O-N 3.47Å; I678-R682 HydrophobicContact CG2-CG 4.43Å; I678-R682 WeakPolarHBondContact O-CB 3.46Å; I678-R682 WeakPolarHBondContact O-CG 3.41Å; I678-R682 PolarHBondContact O-N 3.41Å
679	A	69	Low	68.2	Low	1 Å²	1	35.1 Å²	35.1	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-41.1	-173.1	0	0	0	0	0	109.8	L552 V608 G675 L676 Q677 R682 S683	L552-A679 HydrophobicContact CD1-CB 4Å; L552-A679 HydrophobicContact CD2-CB 4.23Å; V608-A679 HydrophobicContact CB-CB 4.39Å; V608-A679 VanDerWaalsContact CG1-C 3.48Å; V608-A679 HydrophobicContact CG1-CB 3.82Å; V608-A679 HydrophobicContact CG2-CB 4.01Å; G675-A679 WeakPolarHBondContact O-CB 3.3Å; G675-A679 PolarHBondContact O-N 2.84Å; L676-A679 PolarHBondContact O-N 2.77Å; L676-A679 VanDerWaalsContact O-N 3.09Å; Q677-A679 VanDerWaalsContact C-N 3.35Å; Q677-A679 PolarHBondContact O-N 3.32Å; A679-R682 PolarHBondContact O-N 3.28Å; A679-S683 VanDerWaalsContact O-CB 3.23Å; A679-S683 WeakPolarHBondContact O-CB 3.49Å; A679-S683 PolarHBondContact O-N 2.95Å; A679-S683 PolarHBondContact O-OG 3.41Å
680	M	72.4	Confident	67.8	Low	38 Å²	38	37 Å²	37	19%	0.187	19%	0.185	C	C	.	.	H	α-helix	trans	-63.8	-46.7	175.9	-69	173.9	68.2	0	0	112.4	V608 I611 V614 L676 Q677 I678 R682 S683 S684	V608-M680 VanDerWaalsContact CG1-CA 3.5Å; V608-M680 HydrophobicContact CG1-CB 4.02Å; V608-M680 HydrophobicContact CG1-CG 3.37Å; V608-M680 VanDerWaalsContact CG1-N 3.29Å; I611-M680 HydrophobicContact CB-CE 4.19Å; I611-M680 HydrophobicContact CB-CG 4.39Å; I611-M680 HydrophobicContact CB-SD 4.16Å; I611-M680 HydrophobicContact CG2-CE 3.85Å; I611-M680 HydrophobicContact CG2-SD 3.71Å; I611-M680 WeakPolarHBondContact O-CE 3.47Å; V614-M680 HydrophobicContact CB-SD 4.31Å; V614-M680 HydrophobicContact CG2-SD 3.5Å; V614-M680 VanDerWaalsContact CG2-SD 3.5Å; L676-M680 VanDerWaalsContact O-CG 3.27Å; L676-M680 WeakPolarHBondContact O-CG 3.26Å; L676-M680 PolarHBondContact O-N 3.17Å; Q677-M680 PolarHBondContact O-N 3.4Å; I678-M680 VanDerWaalsContact C-N 3.27Å; I678-M680 PolarHBondContact O-N 2.98Å; M680-R682 VanDerWaalsContact C-N 3.31Å; M680-R682 PolarHBondContact O-N 3.1Å; M680-S683 PolarHBondContact O-N 3.36Å; M680-S683 PolarHBondContact O-OG 3.47Å; M680-S683 VanDerWaalsContact O-OG 3.04Å; M680-S684 WeakPolarHBondContact O-CB 3.14Å; M680-S684 PolarHBondContact O-N 3.22Å; M680-S684 PolarHBondContact O-OG 3.17Å
681	V	63.9	Low	67.7	Low	22 Å²	22	36.6 Å²	36.6	13%	0.133	18%	0.182	C	C	.	.	H	α-helix	trans	-61.3	-44.4	178.1	169.8	0	0	0	0	110.2	Y291 L453 Q677 I678 S684 Q685	Y291-V681 HydrophobicContact CE1-CG1 3.84Å; Y291-V681 WeakPolarHBondContact OH-CG1 3.22Å; Y291-V681 WeakPolarHBondContact OH-CG2 3.44Å; L453-V681 HydrophobicContact CD2-CG2 4.47Å; Q677-V681 WeakPolarHBondContact O-CB 3.36Å; Q677-V681 WeakPolarHBondContact O-CG2 3.41Å; Q677-V681 PolarHBondContact O-N 3.04Å; I678-V681 PolarHBondContact O-N 3.47Å; V681-S684 PolarHBondContact O-N 3.41Å; V681-S684 PolarHBondContact O-OG 3.23Å; V681-Q685 WeakPolarHBondContact O-CG 3.46Å; V681-Q685 PolarHBondContact O-N 2.97Å
682	R	64.6	Low	67.7	Low	18 Å²	18	35.7 Å²	35.7	7%	0.068	18%	0.176	C	C	.	.	H	α-helix	trans	-70.6	-33.1	179.6	-74.3	-178	174.6	176.4	-0.4	113.6	Q288 L290 L519 I678 A679 M680 Q685	Q288-R682 PolarHBondContact O-NH2 3.4Å; L290-R682 HydrophobicContact CD2-CG 4.03Å; L519-R682 VanDerWaalsContact C-NH1 3.33Å; L519-R682 PolarHBondContact O-NH1 3.39Å; I678-R682 HydrophobicContact CG2-CG 4.43Å; I678-R682 WeakPolarHBondContact O-CB 3.46Å; I678-R682 WeakPolarHBondContact O-CG 3.41Å; I678-R682 PolarHBondContact O-N 3.41Å; A679-R682 PolarHBondContact O-N 3.28Å; M680-R682 VanDerWaalsContact C-N 3.31Å; M680-R682 PolarHBondContact O-N 3.1Å; R682-Q685 PolarHBondContact O-N 3.47Å
683	S	66	Low	67.2	Low	13 Å²	13	37.5 Å²	37.5	9%	0.091	19%	0.186	C	C	.	.	H	α-helix	trans	-70.4	-39.1	177.8	79.2	0	0	0	0	110.3	D609 A679 M680 Q685 K686	D609-S683 WeakPolarHBondContact OD1-CB 3.48Å; D609-S683 PolarHBondContact OD1-OG 3.47Å; A679-S683 VanDerWaalsContact O-CB 3.23Å; A679-S683 WeakPolarHBondContact O-CB 3.49Å; A679-S683 PolarHBondContact O-N 2.95Å; A679-S683 PolarHBondContact O-OG 3.41Å; M680-S683 PolarHBondContact O-N 3.36Å; M680-S683 PolarHBondContact O-OG 3.47Å; M680-S683 VanDerWaalsContact O-OG 3.04Å; S683-Q685 VanDerWaalsContact C-N 3.26Å; S683-Q685 PolarHBondContact O-N 3.31Å; S683-K686 PolarHBondContact O-N 3.2Å
684	S	63.5	Low	66.6	Low	89 Å²	89	40.2 Å²	40.2	62%	0.622	20%	0.2	S	C	*	.	H	α-helix	trans	-68.1	-16.2	173.5	73.2	0	0	0	0	115.8	M680 V681	M680-S684 WeakPolarHBondContact O-CB 3.14Å; M680-S684 PolarHBondContact O-N 3.22Å; M680-S684 PolarHBondContact O-OG 3.17Å; V681-S684 PolarHBondContact O-N 3.41Å; V681-S684 PolarHBondContact O-OG 3.23Å
685	Q	58.8	Low	66.4	Low	61 Å²	61	38.6 Å²	38.6	29%	0.285	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-13.7	178.8	-77.8	176.1	-11.4	0	0	113.5	L290 V681 R682 S683	L290-Q685 PolarHBondContact O-NE2 2.87Å; V681-Q685 WeakPolarHBondContact O-CG 3.46Å; V681-Q685 PolarHBondContact O-N 2.97Å; R682-Q685 PolarHBondContact O-N 3.47Å; S683-Q685 VanDerWaalsContact C-N 3.26Å; S683-Q685 PolarHBondContact O-N 3.31Å
686	K	53.7	Low	66.1	Low	192 Å²	192	42.1 Å²	42.1	84%	0.835	22%	0.215	S	C	*	.			trans	-85.5	0	173.4	-70.9	-179.5	179.1	-177.4	0	110	S683	S683-K686 PolarHBondContact O-N 3.2Å

Retrieved 686 of 686 residues in 251.2 ms (Link to these results)

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