A0A060XTV2_ONCMY Loading...

ATP synthase subunit alpha

Produces ATP from ADP in the presence of a proton gradient across the membrane.

AlphaFold DB , UniProt , Accession A0A060XTV2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene atp5fa1, Length 549 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	32.9	Very low	29.3	Very low	231 Å²	231	134.6 Å²	134.6	100%	1.138	78%	0.78	S	S	*	*				0	97.9	0	-66.7	-173.7	-171.9	0	0	107
2	L	28.1	Very low	29.3	Very low	166 Å²	166	141.4 Å²	141.4	87%	0.869	78%	0.783	S	S	*	*				60.5	130.3	114.7	-82.9	124.2	0	0	0	113.2
3	S	28.7	Very low	29.2	Very low	89 Å²	89	139.9 Å²	139.9	62%	0.622	78%	0.78	S	S	*	*			cis	169.9	124.1	-3.8	44.1	0	0	0	0	103.8
4	V	30.6	Very low	29.3	Very low	117 Å²	117	147 Å²	147	71%	0.709	79%	0.789	S	S	*	*				68.6	125	98	175.4	0	0	0	0	115.5
5	R	31	Very low	29.3	Very low	229 Å²	229	143.9 Å²	143.9	86%	0.864	79%	0.792	S	S	*	*			trans	72.3	160.5	148.6	-76.7	176.5	-178.1	-178.3	-1.7	118.4
6	V	30.2	Very low	29.2	Very low	121 Å²	121	140.1 Å²	140.1	73%	0.733	80%	0.796	S	S	*	*			cis	-179.8	156.8	-9.8	139	0	0	0	0	105.3
7	A	25.9	Very low	29.2	Very low	92 Å²	92	143.9 Å²	143.9	76%	0.76	80%	0.802	S	S	*	*			trans	69	156.4	155.8	0	0	0	0	0	117.3
8	A	27.9	Very low	29.4	Very low	91 Å²	91	143.2 Å²	143.2	75%	0.752	80%	0.801	S	S	*	*			cis	177.4	173	-15	0	0	0	0	0	105.3
9	A	29	Very low	29.5	Very low	81 Å²	81	140.8 Å²	140.8	67%	0.669	80%	0.796	S	S	*	*			trans	84.8	114.3	157.4	0	0	0	0	0	117.5
10	L	27.5	Very low	29.7	Very low	165 Å²	165	143.6 Å²	143.6	86%	0.864	80%	0.799	S	S	*	*				63.4	131.1	77	-85.5	109.2	0	0	0	109.8
11	V	30.3	Very low	29.7	Very low	99 Å²	99	143.9 Å²	143.9	60%	0.6	80%	0.798	S	S	*	*			cis	178	155.1	24.1	105.5	0	0	0	0	111
12	R	29.2	Very low	29.5	Very low	216 Å²	216	138.4 Å²	138.4	82%	0.815	78%	0.778	S	S	*	*			trans	62.5	132.2	151.8	-72.7	170.6	-175.5	165.7	-4.3	120
13	T	28.1	Very low	29.6	Very low	122 Å²	122	141.3 Å²	141.3	75%	0.748	78%	0.779	S	S	*	*				-163.3	125	80.5	15.2	0	0	0	0	111.4
14	R	30.7	Very low	29.7	Very low	239 Å²	239	141.5 Å²	141.5	90%	0.902	79%	0.786	S	S	*	*				72.7	139	108.7	-87.9	-171.5	173.6	179.7	-1.1	114.8
15	A	29.8	Very low	30	Very low	100 Å²	100	140.7 Å²	140.7	83%	0.826	79%	0.791	S	S	*	*			cis	-168.6	162.5	6.8	0	0	0	0	0	110
16	G	27.1	Very low	30.3	Very low	84 Å²	84	134.4 Å²	134.4	87%	0.866	79%	0.789	S	S	*	*			trans	167.7	101.4	164.6	0	0	0	0	0	112.9
17	F	30.1	Very low	30.3	Very low	205 Å²	205	135 Å²	135	90%	0.899	80%	0.797	S	S	*	*			trans	-88.3	152	-175.1	-125.8	-106.2	0	0	0	111.6
18	V	32.3	Very low	31.1	Very low	130 Å²	130	138.3 Å²	138.3	79%	0.788	81%	0.807	S	S	*	*				177.1	125.5	126.7	159.6	0	0	0	0	112.3
19	S	32	Very low	31.4	Very low	99 Å²	99	137.2 Å²	137.2	69%	0.692	80%	0.804	S	S	*	*			trans	28.9	122.4	160.6	67.6	0	0	0	0	122.6
20	K	32.6	Very low	31.7	Very low	196 Å²	196	137.7 Å²	137.7	85%	0.852	81%	0.808	S	S	*	*				70	101.7	67.1	-87.7	-171.7	177.1	179.8	0	117.2
21	N	29.7	Very low	32	Very low	149 Å²	149	141.1 Å²	141.1	80%	0.797	81%	0.81	S	S	*	*			trans	47	122.9	140.1	-62.5	-5.8	0	0	0	121
22	V	29.3	Very low	32.1	Very low	116 Å²	116	145 Å²	145	70%	0.703	82%	0.821	S	S	*	*				173.3	114.9	96.9	165.6	0	0	0	0	108
23	Y	30.4	Very low	32.2	Very low	227 Å²	227	142 Å²	142	89%	0.89	82%	0.821	S	S	*	*				177.4	115.1	124.8	-96	-70	0	0	0	108.3
24	A	30	Very low	32.3	Very low	93 Å²	93	145 Å²	145	77%	0.769	83%	0.826	S	S	*	*			trans	-78.5	153.1	178.6	0	0	0	0	0	111.4
25	A	37.5	Very low	32.4	Very low	100 Å²	100	139.4 Å²	139.4	83%	0.826	82%	0.818	S	S	*	*			trans	63.4	81.1	141.4	0	0	0	0	0	118.4
26	A	36.5	Very low	32.5	Very low	98 Å²	98	140.9 Å²	140.9	81%	0.81	82%	0.817	S	S	*	*			trans	-159.7	84.8	145.3	0	0	0	0	0	110.3
27	C	30.8	Very low	32.6	Very low	133 Å²	133	146 Å²	146	90%	0.899	82%	0.816	S	S	*	*			trans	-161.6	69.9	157	-97.1	0	0	0	0	108.6	G29	C27-G29 PolarHBondContact O-N 2.82Å
28	V	41.4	Very low	32.8	Very low	161 Å²	161	141.8 Å²	141.8	98%	0.976	81%	0.808	S	S	*	*			trans	-74.2	107.7	151.7	173.3	0	0	0	0	105.2
29	G	35.5	Very low	32.6	Very low	68 Å²	68	147.1 Å²	147.1	70%	0.701	82%	0.815	S	S	*	*			trans	-174	116.6	178.3	0	0	0	0	0	112.1	C27	C27-G29 PolarHBondContact O-N 2.82Å
30	A	34.9	Very low	32.6	Very low	91 Å²	91	150.5 Å²	150.5	75%	0.752	82%	0.822	S	S	*	*			trans	74.3	65.4	169.4	0	0	0	0	0	117.7
31	R	33.3	Very low	32.8	Very low	238 Å²	238	144 Å²	144	90%	0.898	80%	0.804	S	S	*	*			trans	-84.2	116.1	137.2	-78.6	-175.5	-177.6	175.9	1.2	107.3	L33	R31-L33 VanDerWaalsContact C-N 3.35Å; R31-L33 PolarHBondContact O-N 2.95Å
32	H	32.6	Very low	33.2	Very low	180 Å²	180	147 Å²	147	83%	0.833	81%	0.811	S	S	*	*			trans	-62.8	95.1	169.8	-79.7	-74.6	0	0	0	109.6	H34	H32-H34 PolarHBondContact O-N 2.93Å
33	L	30.9	Very low	33.8	Very low	154 Å²	154	144.9 Å²	144.9	81%	0.806	80%	0.798	S	S	*	*			trans	-74.5	108.9	160.8	-76.9	160.5	0	0	0	107.1	R31 T35	R31-L33 VanDerWaalsContact C-N 3.35Å; R31-L33 PolarHBondContact O-N 2.95Å; L33-T35 VanDerWaalsContact C-N 3.31Å; L33-T35 PolarHBondContact O-N 2.93Å
34	H	31.3	Very low	34.5	Very low	184 Å²	184	135.5 Å²	135.5	85%	0.852	77%	0.77	S	S	*	*			trans	-67.1	95.8	159.5	-89.2	-74.1	0	0	0	107.8	H32 T36	H32-H34 PolarHBondContact O-N 2.93Å; H34-T36 PolarHBondContact O-N 3.34Å
35	T	32.6	Very low	35.5	Very low	121 Å²	121	137.2 Å²	137.2	74%	0.742	77%	0.771	S	S	*	*			trans	-77.5	111.2	161.2	49.9	0	0	0	0	107.2	L33 K37	L33-T35 VanDerWaalsContact C-N 3.31Å; L33-T35 PolarHBondContact O-N 2.93Å; T35-K37 PolarHBondContact O-N 3.15Å; T35-K37 VanDerWaalsContact O-N 3.15Å
36	T	32.7	Very low	36.2	Very low	132 Å²	132	136.1 Å²	136.1	81%	0.81	76%	0.762	S	S	*	*			trans	-55.9	116	162.1	36.7	0	0	0	0	107.5	H34	H34-T36 PolarHBondContact O-N 3.34Å
37	K	28.3	Very low	37.1	Very low	192 Å²	192	133.9 Å²	133.9	84%	0.835	74%	0.735	S	S	*	*			trans	-54.4	128.4	164.9	-77.1	179.5	174.7	178.8	0	106.9	T35 W39	T35-K37 PolarHBondContact O-N 3.15Å; T35-K37 VanDerWaalsContact O-N 3.15Å; K37-W39 PolarHBondContact O-N 2.88Å
38	P	33.3	Very low	38.7	Very low	115 Å²	115	130.9 Å²	130.9	75%	0.747	71%	0.712	S	S	*	*			trans	-61.5	116.8	163.5	26	-28	0	0	0	105.4	M40	P38-M40 PolarHBondContact O-N 3.39Å
39	W	29.3	Very low	40	Very low	242 Å²	242	126.6 Å²	126.6	92%	0.917	69%	0.689	S	S	*	*			trans	-69.3	76	169.5	-164.2	56.4	0	0	0	106.2	K37 A41	K37-W39 PolarHBondContact O-N 2.88Å; W39-A41 PolarHBondContact O-N 2.74Å
40	M	32.5	Very low	41.7	Very low	171 Å²	171	126.2 Å²	126.2	84%	0.842	68%	0.676	S	S	*	*			trans	-56.3	119.5	156.7	-91.6	-174.3	165	0	0	105.1	P38 K42	P38-M40 PolarHBondContact O-N 3.39Å; M40-K42 PolarHBondContact O-N 3.09Å
41	A	36	Very low	43.4	Very low	59 Å²	59	123.2 Å²	123.2	49%	0.488	65%	0.647	S	S	.	*			trans	-44.9	138.2	169.3	0	0	0	0	0	108.6	W39 T43	W39-A41 PolarHBondContact O-N 2.74Å; A41-T43 PolarHBondContact O-N 2.96Å
42	K	38	Very low	45.4	Very low	213 Å²	213	116.1 Å²	116.1	93%	0.926	63%	0.626	S	S	*	*			trans	-58.6	85.7	164.4	-88.8	178.9	167.6	-179.6	0	108.3	M40	M40-K42 PolarHBondContact O-N 3.09Å
43	T	42.5	Very low	47.4	Very low	70 Å²	70	113.3 Å²	113.3	43%	0.429	61%	0.614	S	S	.	*			trans	-84.8	131.8	153.8	-41.1	0	0	0	0	105	A41 T45 E47	A41-T43 PolarHBondContact O-N 2.96Å; T43-T45 PolarHBondContact O-N 3.43Å; T43-E47 WeakPolarHBondContact CG2-OE2 3.4Å
44	G	44.5	Very low	49.3	Very low	31 Å²	31	109.2 Å²	109.2	32%	0.32	59%	0.591	S	S	.	*			trans	-60.5	128.7	-167.1	0	0	0	0	0	111.2	A46 E47	G44-A46 PolarHBondContact O-N 3.21Å; G44-E47 PolarHBondContact N-OE2 3.03Å; G44-E47 VanDerWaalsContact N-OE2 3.07Å; G44-E47 WeakPolarHBondContact O-CB 3.36Å; G44-E47 PolarHBondContact O-N 2.79Å
45	T	52.2	Low	51.2	Low	129 Å²	129	105.3 Å²	105.3	79%	0.791	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-18	177.3	33.5	0	0	0	0	113.7	T43 S49	T43-T45 PolarHBondContact O-N 3.43Å; T45-S49 PolarHBondContact O-OG 3.01Å
46	A	51.4	Low	53.4	Low	76 Å²	76	106.4 Å²	106.4	63%	0.628	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-36.4	174	0	0	0	0	0	113.2	G44 V48 S49	G44-A46 PolarHBondContact O-N 3.21Å; A46-V48 VanDerWaalsContact C-N 3.3Å; A46-V48 PolarHBondContact O-N 3.06Å; A46-S49 PolarHBondContact O-N 3.39Å; A46-S49 VanDerWaalsContact O-N 3.15Å
47	E	56	Low	55.5	Low	52 Å²	52	106.3 Å²	106.3	24%	0.243	56%	0.564	C	S	.	*	H	α-helix	trans	-65.1	-34.3	-175.1	-59.8	169.4	168.4	0	0	112	T43 G44 I51	T43-E47 WeakPolarHBondContact CG2-OE2 3.4Å; G44-E47 PolarHBondContact N-OE2 3.03Å; G44-E47 VanDerWaalsContact N-OE2 3.07Å; G44-E47 WeakPolarHBondContact O-CB 3.36Å; G44-E47 PolarHBondContact O-N 2.79Å; E47-I51 WeakPolarHBondContact O-CD1 3.07Å
48	V	63	Low	57.3	Low	70 Å²	70	100.2 Å²	100.2	42%	0.424	56%	0.557	S	S	.	*	H	α-helix	trans	-82	-24.5	179.4	-171.3	0	0	0	0	111.2	A46 L52	A46-V48 VanDerWaalsContact C-N 3.3Å; A46-V48 PolarHBondContact O-N 3.06Å; V48-L52 HydrophobicContact CG1-CD1 3.6Å; V48-L52 HydrophobicContact CG1-CG 3.85Å; V48-L52 VanDerWaalsContact O-CB 3.28Å; V48-L52 WeakPolarHBondContact O-CB 3.33Å; V48-L52 WeakPolarHBondContact O-CG 3.47Å; V48-L52 PolarHBondContact O-N 3.43Å
49	S	69.7	Low	58.4	Low	70 Å²	70	98.2 Å²	98.2	49%	0.49	55%	0.55	S	S	.	.	H	α-helix	trans	-70.5	-43.1	-172.1	-66.1	0	0	0	0	112.6	T45 A46 L52 E53	T45-S49 PolarHBondContact O-OG 3.01Å; A46-S49 PolarHBondContact O-N 3.39Å; A46-S49 VanDerWaalsContact O-N 3.15Å; S49-L52 PolarHBondContact O-N 3.42Å; S49-E53 VanDerWaalsContact O-CB 3.32Å; S49-E53 WeakPolarHBondContact O-CB 3.48Å; S49-E53 PolarHBondContact O-N 3.4Å
50	S	70	Confident	59.7	Low	60 Å²	60	90.1 Å²	90.1	42%	0.42	52%	0.524	S	S	.	.	H	α-helix	trans	-67.6	-40.3	177.5	54.9	0	0	0	0	112.6	E53 E54	S50-E53 PolarHBondContact O-N 3.31Å; S50-E54 PolarHBondContact O-N 3.37Å
51	I	71.9	Confident	60.8	Low	28 Å²	28	86.5 Å²	86.5	14%	0.144	51%	0.512	C	S	.	.	H	α-helix	trans	-66.2	-41.1	176.7	-57.8	172.1	0	0	0	110.6	E47 K55 L72 Y82	E47-I51 WeakPolarHBondContact O-CD1 3.07Å; I51-K55 WeakPolarHBondContact O-CG 3.35Å; I51-K55 PolarHBondContact O-N 3.45Å; I51-L72 HydrophobicContact CD1-CD2 3.72Å; I51-Y82 HydrophobicContact CD1-CD1 4.42Å; I51-Y82 HydrophobicContact CD1-CD2 4.24Å; I51-Y82 HydrophobicContact CD1-CG 4.18Å; I51-Y82 HydrophobicContact CG2-CE1 4.02Å; I51-Y82 HydrophobicContact CG2-CE2 4.43Å
52	L	74.2	Confident	61.8	Low	89 Å²	89	87.2 Å²	87.2	47%	0.466	51%	0.513	S	S	.	.	H	α-helix	trans	-66.7	-39.1	175.4	-73.9	175.4	0	0	0	111.5	V48 S49 K55 I56	V48-L52 HydrophobicContact CG1-CD1 3.6Å; V48-L52 HydrophobicContact CG1-CG 3.85Å; V48-L52 VanDerWaalsContact O-CB 3.28Å; V48-L52 WeakPolarHBondContact O-CB 3.33Å; V48-L52 WeakPolarHBondContact O-CG 3.47Å; V48-L52 PolarHBondContact O-N 3.43Å; S49-L52 PolarHBondContact O-N 3.42Å; L52-K55 PolarHBondContact O-N 2.92Å; L52-I56 WeakPolarHBondContact O-CB 3.25Å; L52-I56 WeakPolarHBondContact O-CD1 3.3Å; L52-I56 WeakPolarHBondContact O-CG1 3.35Å; L52-I56 PolarHBondContact O-N 3.4Å
53	E	74.9	Confident	62.7	Low	122 Å²	122	80.1 Å²	80.1	57%	0.57	50%	0.495	S	S	*	.	H	α-helix	trans	-61.4	-47.3	175.4	-171.9	173.6	-169.8	0	0	111.2	S49 S50 K55 I56 L57	S49-E53 VanDerWaalsContact O-CB 3.32Å; S49-E53 WeakPolarHBondContact O-CB 3.48Å; S49-E53 PolarHBondContact O-N 3.4Å; S50-E53 PolarHBondContact O-N 3.31Å; E53-K55 VanDerWaalsContact C-N 3.32Å; E53-K55 PolarHBondContact O-N 3.25Å; E53-I56 PolarHBondContact O-N 2.87Å; E53-I56 VanDerWaalsContact O-N 3.16Å; E53-L57 HydrophobicContact CG-CD1 3.93Å; E53-L57 HydrophobicContact CG-CG 4.49Å; E53-L57 WeakPolarHBondContact O-CB 3.3Å; E53-L57 VanDerWaalsContact O-CG 3.25Å; E53-L57 WeakPolarHBondContact O-CG 3.44Å; E53-L57 PolarHBondContact O-N 3.44Å
54	E	71.8	Confident	63.9	Low	68 Å²	68	81.3 Å²	81.3	32%	0.318	50%	0.498	S	S	.	.	H	α-helix	trans	-59.3	-41.4	174.9	-75.2	-174.9	156	0	0	112.4	S50 I56 L57 G58 A59 R70	S50-E54 PolarHBondContact O-N 3.37Å; E54-I56 PolarHBondContact O-N 2.9Å; E54-L57 PolarHBondContact O-N 3.48Å; E54-G58 PolarHBondContact O-N 3.32Å; E54-G58 VanDerWaalsContact O-N 3.17Å; E54-A59 PolarHBondContact O-N 3.08Å; E54-R70 IonicContact OE1-CZ 3.47Å; E54-R70 IonicContact OE1-NH1 3.02Å; E54-R70 PolarHBondContact OE1-NH1 3.38Å; E54-R70 IonicContact OE1-NH2 2.75Å; E54-R70 IonicContact OE2-CZ 3.63Å; E54-R70 IonicContact OE2-NH1 3.44Å; E54-R70 PolarHBondContact OE2-NH1 3.16Å
55	K	70.7	Confident	65.3	Low	102 Å²	102	80.9 Å²	80.9	44%	0.443	49%	0.489	S	S	.	.	H	α-helix	trans	-64.7	-37.1	175.5	-78	-177	175.7	-174.6	0	113.2	I51 L52 E53 G58 Y82	I51-K55 WeakPolarHBondContact O-CG 3.35Å; I51-K55 PolarHBondContact O-N 3.45Å; L52-K55 PolarHBondContact O-N 2.92Å; E53-K55 VanDerWaalsContact C-N 3.32Å; E53-K55 PolarHBondContact O-N 3.25Å; K55-G58 PolarHBondContact O-N 2.93Å; K55-Y82 PolarHBondContact NZ-OH 2.84Å
56	I	78.4	Confident	66.6	Low	143 Å²	143	78.5 Å²	78.5	73%	0.733	47%	0.469	S	S	*	.	H	α-helix	trans	-71.9	-36.6	177.2	-69.6	163.3	0	0	0	110.6	L52 E53 E54 G58	L52-I56 WeakPolarHBondContact O-CB 3.25Å; L52-I56 WeakPolarHBondContact O-CD1 3.3Å; L52-I56 WeakPolarHBondContact O-CG1 3.35Å; L52-I56 PolarHBondContact O-N 3.4Å; E53-I56 PolarHBondContact O-N 2.87Å; E53-I56 VanDerWaalsContact O-N 3.16Å; E54-I56 PolarHBondContact O-N 2.9Å; I56-G58 PolarHBondContact O-N 3.47Å
57	L	77.6	Confident	68.3	Low	130 Å²	130	78.9 Å²	78.9	68%	0.681	46%	0.457	S	S	*	.	H	α-helix	trans	-73.2	-8.1	176.7	-69.2	170.1	0	0	0	113.3	E53 E54 A59	E53-L57 HydrophobicContact CG-CD1 3.93Å; E53-L57 HydrophobicContact CG-CG 4.49Å; E53-L57 WeakPolarHBondContact O-CB 3.3Å; E53-L57 VanDerWaalsContact O-CG 3.25Å; E53-L57 WeakPolarHBondContact O-CG 3.44Å; E53-L57 PolarHBondContact O-N 3.44Å; E54-L57 PolarHBondContact O-N 3.48Å; L57-A59 VanDerWaalsContact C-N 3.33Å; L57-A59 PolarHBondContact O-N 3.21Å
58	G	64.7	Low	70	Confident	65 Å²	65	78.3 Å²	78.3	67%	0.67	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	18.9	173.8	0	0	0	0	0	114.5	E54 K55 I56 D60	E54-G58 PolarHBondContact O-N 3.32Å; E54-G58 VanDerWaalsContact O-N 3.17Å; K55-G58 PolarHBondContact O-N 2.93Å; I56-G58 PolarHBondContact O-N 3.47Å; G58-D60 VanDerWaalsContact C-N 3.32Å; G58-D60 PolarHBondContact O-N 3.4Å
59	A	57.8	Low	71.4	Confident	73 Å²	73	75 Å²	75	60%	0.603	44%	0.438	S	S	*	.			trans	-91.5	39.7	-175.4	0	0	0	0	0	113.5	E54 L57	E54-A59 PolarHBondContact O-N 3.08Å; L57-A59 VanDerWaalsContact C-N 3.33Å; L57-A59 PolarHBondContact O-N 3.21Å
60	D	55.2	Low	72.4	Confident	71 Å²	71	77.2 Å²	77.2	38%	0.38	44%	0.435	S	S	.	.			trans	-102.6	95	174.1	-86.4	-20.2	0	0	0	110	G58 S62	G58-D60 VanDerWaalsContact C-N 3.32Å; G58-D60 PolarHBondContact O-N 3.4Å; D60-S62 VanDerWaalsContact C-N 3.27Å; D60-S62 PolarHBondContact O-N 3.36Å
61	T	56.8	Low	73.6	Confident	96 Å²	96	74.4 Å²	74.4	59%	0.589	42%	0.416	S	S	*	.			trans	-70.3	93	152.1	26.3	0	0	0	0	106.8	A63 D64	T61-A63 PolarHBondContact O-N 3.28Å; T61-D64 PolarHBondContact O-N 2.87Å; T61-D64 PolarHBondContact OG1-OD2 2.95Å
62	S	56.2	Low	74.5	Confident	73 Å²	73	74.6 Å²	74.6	51%	0.51	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-26.8	-177	60.4	0	0	0	0	114.3	D60	D60-S62 VanDerWaalsContact C-N 3.27Å; D60-S62 PolarHBondContact O-N 3.36Å
63	A	57.3	Low	75.3	Confident	65 Å²	65	72 Å²	72	54%	0.537	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-31.4	176.5	0	0	0	0	0	114.2	T61	T61-A63 PolarHBondContact O-N 3.28Å
64	D	68.4	Low	76.2	Confident	95 Å²	95	68.5 Å²	68.5	51%	0.508	39%	0.391	S	S	.	.	H	α-helix	trans	-75.1	-31.2	-178	-72.3	-40.7	0	0	0	112.1	T61 E66 T68	T61-D64 PolarHBondContact O-N 2.87Å; T61-D64 PolarHBondContact OG1-OD2 2.95Å; D64-E66 VanDerWaalsContact C-N 3.31Å; D64-E66 PolarHBondContact O-N 2.93Å; D64-T68 WeakPolarHBondContact O-CB 3.49Å; D64-T68 PolarHBondContact O-N 3.47Å; D64-T68 PolarHBondContact O-OG1 3.3Å
65	L	73	Confident	77	Confident	22 Å²	22	66.9 Å²	66.9	12%	0.115	39%	0.393	C	S	.	.	H	α-helix	trans	-79	-9.9	180	-67.6	175.5	0	0	0	114.1	T68 Y82 G83 L84 R85	L65-T68 CarbonylContact C-O 3.55Å; L65-T68 WeakPolarHBondContact CA-O 3.33Å; L65-Y82 HydrophobicContact CD1-CE1 4.4Å; L65-Y82 HydrophobicContact CD2-CD1 4.49Å; L65-Y82 HydrophobicContact CD2-CE1 4.36Å; L65-G83 CarbonylContact O-C 3.57Å; L65-L84 PolarHBondContact O-N 2.68Å; L65-R85 PolarHBondContact O-N 3.47Å
66	E	80.6	Confident	77.8	Confident	79 Å²	79	67.8 Å²	67.8	37%	0.369	40%	0.402	S	S	.	.	H	α-helix	trans	-73.5	-43.9	176.3	-75.1	-173.2	-170.1	0	0	111.8	D64 L84 R85 N86	D64-E66 VanDerWaalsContact C-N 3.31Å; D64-E66 PolarHBondContact O-N 2.93Å; E66-L84 CarbonylContact O-C 3.55Å; E66-R85 PolarHBondContact O-N 3.04Å; E66-N86 PolarHBondContact O-N 2.92Å; E66-N86 PolarHBondContact OE2-ND2 3.23Å
67	E	87.4	Confident	78.3	Confident	84 Å²	84	61.6 Å²	61.6	39%	0.393	37%	0.374	S	S	.	.	H	α-helix	trans	-107.9	-20.6	-172.8	-64.7	-65	129.6	0	0	113	L84 N86 R130	E67-L84 WeakPolarHBondContact O-CD2 3.26Å; E67-N86 PolarHBondContact OE1-ND2 3.37Å; E67-R130 WeakPolarHBondContact O-CG 3.48Å; E67-R130 PolarHBondContact O-N 3.47Å; E67-R130 IonicContact OE1-NH1 3.99Å; E67-R130 PolarHBondContact OE1-NH1 3.39Å; E67-R130 WeakPolarHBondContact OE2-CD 3.35Å; E67-R130 WeakPolarHBondContact OE2-CG 3.3Å; E67-R130 IonicContact OE2-NE 3.22Å; E67-R130 IonicContact OE2-NH1 3.97Å
68	T	91.1	Very high	79	Confident	39 Å²	39	56.4 Å²	56.4	24%	0.239	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	157.7	177	75.1	0	0	0	0	111.7	D64 L65 L84 V128 K129	D64-T68 WeakPolarHBondContact O-CB 3.49Å; D64-T68 PolarHBondContact O-N 3.47Å; D64-T68 PolarHBondContact O-OG1 3.3Å; L65-T68 CarbonylContact C-O 3.55Å; L65-T68 WeakPolarHBondContact CA-O 3.33Å; T68-L84 PolarHBondContact O-N 2.95Å; T68-L84 VanDerWaalsContact O-N 3.14Å; T68-V128 CarbonylContact C-O 3.56Å; T68-V128 WeakPolarHBondContact CA-O 3.11Å; T68-K129 HydrophobicContact CG2-CG 4Å
69	G	91.3	Very high	80.4	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	172.3	175.6	0	0	0	0	0	112	Y82 I127 V128	G69-Y82 CarbonylContact C-O 3.58Å; G69-Y82 WeakPolarHBondContact CA-O 3.32Å; G69-I127 CarbonylContact O-C 3.57Å; G69-I127 WeakPolarHBondContact O-CA 3.47Å; G69-V128 PolarHBondContact N-O 3.33Å; G69-V128 PolarHBondContact O-N 3.32Å
70	R	92.1	Very high	82.1	Confident	116 Å²	116	53.1 Å²	53.1	44%	0.438	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	136.6	176.8	-65.5	-175.4	-176.8	176.4	3	110.4	E54 L72 V81 Y82 D126	E54-R70 IonicContact OE1-CZ 3.47Å; E54-R70 IonicContact OE1-NH1 3.02Å; E54-R70 PolarHBondContact OE1-NH1 3.38Å; E54-R70 IonicContact OE1-NH2 2.75Å; E54-R70 IonicContact OE2-CZ 3.63Å; E54-R70 IonicContact OE2-NH1 3.44Å; E54-R70 PolarHBondContact OE2-NH1 3.16Å; R70-L72 PolarHBondContact O-N 2.84Å; R70-V81 CarbonylContact O-C 3.4Å; R70-V81 WeakPolarHBondContact O-CA 3.27Å; R70-Y82 PolarHBondContact N-O 2.94Å; R70-Y82 PolarHBondContact O-N 3.39Å; R70-D126 CarbonylContact C-O 3.58Å; R70-D126 WeakPolarHBondContact CA-O 3.31Å
71	V	94.3	Very high	83.9	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	119.2	175.4	178.7	0	0	0	0	109.2	I74 V81 F95 I122 G125 D126 V128	V71-I74 HydrophobicContact CG1-CB 4.32Å; V71-V81 HydrophobicContact CG2-CG2 4.47Å; V71-F95 HydrophobicContact CG2-CD1 4.07Å; V71-F95 HydrophobicContact CG2-CE1 3.9Å; V71-I122 HydrophobicContact CG1-CG2 4.29Å; V71-I122 HydrophobicContact CG2-CG2 3.99Å; V71-G125 PolarHBondContact O-N 3.17Å; V71-D126 HydrophobicContact CB-CB 4.45Å; V71-D126 HydrophobicContact CG2-CB 4.05Å; V71-D126 WeakPolarHBondContact CG2-O 3.28Å; V71-D126 PolarHBondContact N-O 3.31Å; V71-V128 HydrophobicContact CG2-CG2 3.57Å
72	L	91.7	Very high	85.6	Confident	32 Å²	32	47 Å²	47	17%	0.168	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-43.3	172.6	-63.4	178.6	0	0	0	111.5	I51 R70 R80 N110 E124	I51-L72 HydrophobicContact CD1-CD2 3.72Å; R70-L72 PolarHBondContact O-N 2.84Å; L72-R80 HydrophobicContact CB-CB 4.31Å; L72-R80 WeakPolarHBondContact CB-O 3.34Å; L72-R80 PolarHBondContact N-O 3.13Å; L72-N110 HydrophobicContact CD1-CB 4.09Å; L72-E124 WeakPolarHBondContact O-CG 2.99Å
73	S	91.3	Very high	87.2	Confident	35 Å²	35	44.1 Å²	44.1	25%	0.245	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	152.3	178.4	49.4	0	0	0	0	109.8	A79 R80	S73-A79 CarbonylContact O-C 3.5Å; S73-A79 WeakPolarHBondContact O-CA 3.34Å; S73-R80 PolarHBondContact O-N 2.87Å
74	I	92.4	Very high	88.8	Confident	47 Å²	47	41 Å²	41	24%	0.241	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.3	176.3	177.7	72.2	0	0	0	108	V71 I78 A79 V115 D119 I122	V71-I74 HydrophobicContact CG1-CB 4.32Å; I74-I78 WeakPolarHBondContact CA-O 3.34Å; I74-A79 HydrophobicContact CD1-CB 3.84Å; I74-V115 HydrophobicContact CD1-CG2 3.87Å; I74-D119 HydrophobicContact CD1-CB 4.04Å; I74-D119 HydrophobicContact CG1-CB 4.08Å; I74-I122 HydrophobicContact CB-CG2 4.34Å; I74-I122 HydrophobicContact CD1-CB 4.47Å; I74-I122 HydrophobicContact CD1-CD1 4.39Å; I74-I122 HydrophobicContact CD1-CG2 4.4Å; I74-I122 HydrophobicContact CG1-CB 4.26Å; I74-I122 HydrophobicContact CG1-CG2 4.27Å
75	G	89.4	Confident	89.8	Confident	35 Å²	35	43.7 Å²	43.7	36%	0.361	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	138.3	175.1	0	0	0	0	0	111.8	G77 I78	G75-G77 PolarHBondContact O-N 3.46Å; G75-G77 VanDerWaalsContact O-N 3.12Å; G75-I78 PolarHBondContact N-O 3.44Å; G75-I78 PolarHBondContact O-N 3.07Å
76	D	86.5	Confident	90.7	Very high	121 Å²	121	46 Å²	46	65%	0.647	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	37.7	177.7	-59.6	-47	0	0	0	113.5	D119 L324	D76-D119 PolarHBondContact N-OD2 3.33Å; D76-L324 HydrophobicContact CB-CD1 3.84Å; D76-L324 HydrophobicContact CB-CD2 3.77Å; D76-L324 HydrophobicContact CB-CG 4.46Å; D76-L324 WeakPolarHBondContact O-CD1 3.25Å
77	G	88.8	Confident	91.3	Very high	13 Å²	13	42.9 Å²	42.9	13%	0.134	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	11.5	-178.9	0	0	0	0	0	116.2	G75 V115 D119	G75-G77 PolarHBondContact O-N 3.46Å; G75-G77 VanDerWaalsContact O-N 3.12Å; G77-V115 PolarHBondContact O-N 3.39Å; G77-D119 PolarHBondContact N-OD2 3.05Å
78	I	92.2	Very high	91.6	Very high	20 Å²	20	43.6 Å²	43.6	10%	0.103	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.3	175.3	-54.9	-155.3	0	0	0	110.6	I74 G75 V114 L324 L325	I74-I78 WeakPolarHBondContact CA-O 3.34Å; G75-I78 PolarHBondContact N-O 3.44Å; G75-I78 PolarHBondContact O-N 3.07Å; I78-V114 HydrophobicContact CD1-CG2 4.18Å; I78-V114 HydrophobicContact CG1-CG2 4.31Å; I78-L324 HydrophobicContact CD1-CB 3.29Å; I78-L324 HydrophobicContact CD1-CD1 4.32Å; I78-L324 HydrophobicContact CD1-CG 4.45Å; I78-L324 HydrophobicContact CG1-CB 4.01Å; I78-L324 HydrophobicContact CG1-CD1 4.33Å; I78-L325 HydrophobicContact CD1-CD2 3.72Å; I78-L325 HydrophobicContact CD1-CG 3.62Å; I78-L325 HydrophobicContact CG2-CD2 3.88Å
79	A	93.9	Very high	91.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135	173	0	0	0	0	0	110.3	S73 I74 V81 F95 V113 V115	S73-A79 CarbonylContact O-C 3.5Å; S73-A79 WeakPolarHBondContact O-CA 3.34Å; I74-A79 HydrophobicContact CD1-CB 3.84Å; A79-V81 HydrophobicContact CB-CG2 4.25Å; A79-F95 HydrophobicContact CB-CE1 3.82Å; A79-F95 HydrophobicContact CB-CZ 3.83Å; A79-V113 HydrophobicContact CB-CB 4.4Å; A79-V113 PolarHBondContact N-O 3.02Å; A79-V113 PolarHBondContact O-N 3.11Å; A79-V115 HydrophobicContact CB-CG2 4.33Å
80	R	93.4	Very high	91.7	Very high	69 Å²	69	47.2 Å²	47.2	26%	0.26	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124.5	164.5	-67.4	-179.2	174	-168.9	-12.5	108.1	L72 S73	L72-R80 HydrophobicContact CB-CB 4.31Å; L72-R80 WeakPolarHBondContact CB-O 3.34Å; L72-R80 PolarHBondContact N-O 3.13Å; S73-R80 PolarHBondContact O-N 2.87Å
81	V	93.9	Very high	91.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.5	-173	-175.2	0	0	0	0	109.5	R70 V71 A79 L84 N110 V111 V113 V128	R70-V81 CarbonylContact O-C 3.4Å; R70-V81 WeakPolarHBondContact O-CA 3.27Å; V71-V81 HydrophobicContact CG2-CG2 4.47Å; A79-V81 HydrophobicContact CB-CG2 4.25Å; V81-L84 HydrophobicContact CB-CD1 4.22Å; V81-L84 HydrophobicContact CG1-CD1 3.67Å; V81-L84 HydrophobicContact CG1-CG 4.09Å; V81-N110 CarbonylContact O-C 3.59Å; V81-N110 WeakPolarHBondContact O-CA 3.23Å; V81-V111 PolarHBondContact N-O 2.99Å; V81-V111 PolarHBondContact O-N 3.15Å; V81-V113 HydrophobicContact CB-CG2 4.47Å; V81-V113 HydrophobicContact CG2-CB 4.29Å; V81-V113 HydrophobicContact CG2-CG2 3.83Å; V81-V128 HydrophobicContact CG1-CB 3.96Å; V81-V128 HydrophobicContact CG1-CG2 3.94Å; V81-V128 HydrophobicContact CG2-CB 4.5Å; V81-V128 HydrophobicContact CG2-CG2 3.9Å
82	Y	91.8	Very high	91.8	Very high	39 Å²	39	42.1 Å²	42.1	15%	0.153	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	140.1	171	-177.9	-106.5	0	0	0	110.6	I51 K55 L65 G69 R70 D109	I51-Y82 HydrophobicContact CD1-CD1 4.42Å; I51-Y82 HydrophobicContact CD1-CD2 4.24Å; I51-Y82 HydrophobicContact CD1-CG 4.18Å; I51-Y82 HydrophobicContact CG2-CE1 4.02Å; I51-Y82 HydrophobicContact CG2-CE2 4.43Å; K55-Y82 PolarHBondContact NZ-OH 2.84Å; L65-Y82 HydrophobicContact CD1-CE1 4.4Å; L65-Y82 HydrophobicContact CD2-CD1 4.49Å; L65-Y82 HydrophobicContact CD2-CE1 4.36Å; G69-Y82 CarbonylContact C-O 3.58Å; G69-Y82 WeakPolarHBondContact CA-O 3.32Å; R70-Y82 PolarHBondContact N-O 2.94Å; R70-Y82 PolarHBondContact O-N 3.39Å; Y82-D109 VanDerWaalsContact CD2-O 3.31Å; Y82-D109 WeakPolarHBondContact CD2-O 3.25Å
83	G	90.2	Very high	91.9	Very high	12 Å²	12	40.6 Å²	40.6	12%	0.124	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	96.1	-141.1	-174.6	0	0	0	0	0	111.5	L65 R85	L65-G83 CarbonylContact O-C 3.57Å; G83-R85 VanDerWaalsContact C-N 3.26Å; G83-R85 PolarHBondContact O-N 3.31Å
84	L	91.1	Very high	92.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.225	C	C	.	.			trans	51.7	41.2	-178.1	-64.2	-179.9	0	0	0	113.2	L65 E66 E67 T68 V81 N86 V87 V93 V111 V128 R130	L65-L84 PolarHBondContact O-N 2.68Å; E66-L84 CarbonylContact O-C 3.55Å; E67-L84 WeakPolarHBondContact O-CD2 3.26Å; T68-L84 PolarHBondContact O-N 2.95Å; T68-L84 VanDerWaalsContact O-N 3.14Å; V81-L84 HydrophobicContact CB-CD1 4.22Å; V81-L84 HydrophobicContact CG1-CD1 3.67Å; V81-L84 HydrophobicContact CG1-CG 4.09Å; L84-N86 PolarHBondContact O-N 2.85Å; L84-N86 VanDerWaalsContact O-N 3.1Å; L84-V87 HydrophobicContact CB-CB 4.06Å; L84-V87 HydrophobicContact CB-CG1 4.05Å; L84-V87 WeakPolarHBondContact O-CB 3.21Å; L84-V87 WeakPolarHBondContact O-CG1 3.44Å; L84-V87 PolarHBondContact O-N 3.49Å; L84-V93 HydrophobicContact CD1-CG1 4.3Å; L84-V111 HydrophobicContact CB-CG2 4.33Å; L84-V128 HydrophobicContact CD1-CB 4.48Å; L84-V128 HydrophobicContact CD1-CG1 4.08Å; L84-R130 HydrophobicContact CD2-CB 4.27Å
85	R	88.8	Confident	92.3	Very high	150 Å²	150	41.1 Å²	41.1	57%	0.566	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.2	-171	-64.3	-177.3	-179.9	176.2	4.2	114	L65 E66 G83	L65-R85 PolarHBondContact O-N 3.47Å; E66-R85 PolarHBondContact O-N 3.04Å; G83-R85 VanDerWaalsContact C-N 3.26Å; G83-R85 PolarHBondContact O-N 3.31Å
86	N	91.8	Very high	92.4	Very high	71 Å²	71	43.1 Å²	43.1	38%	0.38	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	3.3	-178.5	-67	-20.5	0	0	0	113.5	E66 E67 L84 R130	E66-N86 PolarHBondContact O-N 2.92Å; E66-N86 PolarHBondContact OE2-ND2 3.23Å; E67-N86 PolarHBondContact OE1-ND2 3.37Å; L84-N86 PolarHBondContact O-N 2.85Å; L84-N86 VanDerWaalsContact O-N 3.1Å; N86-R130 PolarHBondContact O-NH1 3.27Å; N86-R130 PolarHBondContact O-NH2 3.37Å
87	V	94.2	Very high	92.6	Very high	13 Å²	13	39.8 Å²	39.8	8%	0.079	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-65.4	137.1	-178.9	78.4	0	0	0	0	111.1	L84 E91 V93 L106 V111	L84-V87 HydrophobicContact CB-CB 4.06Å; L84-V87 HydrophobicContact CB-CG1 4.05Å; L84-V87 WeakPolarHBondContact O-CB 3.21Å; L84-V87 WeakPolarHBondContact O-CG1 3.44Å; L84-V87 PolarHBondContact O-N 3.49Å; V87-E91 HydrophobicContact CG2-CB 3.89Å; V87-E91 HydrophobicContact CG2-CG 4.36Å; V87-V93 HydrophobicContact CG2-CG1 4.2Å; V87-L106 HydrophobicContact CG1-CD2 3.76Å; V87-V111 HydrophobicContact CG1-CG1 4.09Å; V87-V111 HydrophobicContact CG1-CG2 3.86Å
88	Q	93.7	Very high	92.7	Very high	100 Å²	100	41.2 Å²	41.2	47%	0.467	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-88.9	161.7	176.4	-60.1	-177.9	-7	0	0	110.3	E91 S103	Q88-E91 HydrophobicContact CB-CB 4.21Å; Q88-E91 WeakPolarHBondContact CB-OE2 3.34Å; Q88-E91 PolarHBondContact N-OE2 3.22Å; Q88-E91 VanDerWaalsContact O-CB 3.27Å; Q88-E91 WeakPolarHBondContact O-CB 3.4Å; Q88-E91 PolarHBondContact O-N 2.73Å; Q88-S103 PolarHBondContact O-OG 2.77Å
89	A	91.8	Very high	92.7	Very high	56 Å²	56	41.8 Å²	41.8	46%	0.463	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	141	170.2	0	0	0	0	0	110	E91 L106	A89-E91 PolarHBondContact O-N 2.72Å; A89-L106 HydrophobicContact CB-CD1 4.24Å
90	E	91.7	Very high	92.7	Very high	59 Å²	59	45.6 Å²	45.6	28%	0.276	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	19.7	-175.5	-51.2	-177	161.8	0	0	113.6	M102 S103 I134 V135 R344	E90-M102 HydrophobicContact CB-SD 4.4Å; E90-S103 WeakPolarHBondContact CA-O 3.34Å; E90-S103 PolarHBondContact N-O 3.04Å; E90-I134 HydrophobicContact CB-CG2 4.34Å; E90-I134 WeakPolarHBondContact O-CA 3.24Å; E90-V135 PolarHBondContact O-N 3.25Å; E90-V135 VanDerWaalsContact O-N 3.11Å; E90-R344 IonicContact OE1-NH1 2.7Å; E90-R344 PolarHBondContact OE1-NH1 3.44Å; E90-R344 IonicContact OE1-NH2 3.2Å
91	E	94.8	Very high	92.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	141.4	174.5	-162.5	178.2	150.3	0	0	111	V87 Q88 A89 M102 S103 R130 G132 A133	V87-E91 HydrophobicContact CG2-CB 3.89Å; V87-E91 HydrophobicContact CG2-CG 4.36Å; Q88-E91 HydrophobicContact CB-CB 4.21Å; Q88-E91 WeakPolarHBondContact CB-OE2 3.34Å; Q88-E91 PolarHBondContact N-OE2 3.22Å; Q88-E91 VanDerWaalsContact O-CB 3.27Å; Q88-E91 WeakPolarHBondContact O-CB 3.4Å; Q88-E91 PolarHBondContact O-N 2.73Å; A89-E91 PolarHBondContact O-N 2.72Å; E91-M102 WeakPolarHBondContact O-CA 3.24Å; E91-S103 PolarHBondContact N-OG 3.34Å; E91-S103 PolarHBondContact O-N 3.08Å; E91-S103 PolarHBondContact O-OG 3.44Å; E91-R130 WeakPolarHBondContact OE1-CB 3.27Å; E91-R130 IonicContact OE1-CZ 2.67Å; E91-R130 IonicContact OE1-NE 2.86Å; E91-R130 PolarHBondContact OE1-NE 2.85Å; E91-R130 IonicContact OE1-NH2 3.64Å; E91-R130 PolarHBondContact OE1-NH2 2.75Å; E91-R130 IonicContact OE2-CZ 3.57Å; E91-R130 IonicContact OE2-NE 3.26Å; E91-R130 PolarHBondContact OE2-NE 2.84Å; E91-R130 IonicContact OE2-NH2 3.61Å; E91-R130 PolarHBondContact OE2-NH2 3.06Å; E91-G132 WeakPolarHBondContact OE1-CA 3.39Å; E91-G132 PolarHBondContact OE1-N 3.12Å; E91-A133 WeakPolarHBondContact CG-O 3.42Å
92	M	94	Very high	92.7	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.059	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	137.3	173.2	-172.1	174.3	-65.8	0	0	110.3	K100 G101 T131 A133 V135 L151	M92-K100 HydrophobicContact SD-CD 3.76Å; M92-K100 HydrophobicContact SD-CG 4.44Å; M92-G101 WeakPolarHBondContact CA-O 3.42Å; M92-T131 HydrophobicContact CB-CG2 4.26Å; M92-T131 WeakPolarHBondContact CB-OG1 3.42Å; M92-T131 HydrophobicContact CG-CG2 4.11Å; M92-T131 WeakPolarHBondContact O-CB 3.33Å; M92-T131 WeakPolarHBondContact O-CG2 3.2Å; M92-T131 PolarHBondContact O-N 3.16Å; M92-T131 PolarHBondContact O-OG1 3.15Å; M92-A133 PolarHBondContact N-O 3.41Å; M92-V135 HydrophobicContact CB-CG2 4.21Å; M92-V135 HydrophobicContact CE-CB 4.31Å; M92-V135 HydrophobicContact CE-CG1 3.97Å; M92-V135 HydrophobicContact CE-CG2 4.06Å; M92-L151 HydrophobicContact CE-CD2 4.09Å
93	V	95.3	Very high	92.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	156.8	174.1	-57.5	0	0	0	0	110	L84 V87 F95 K100 G101 V113 V128 K129	L84-V93 HydrophobicContact CD1-CG1 4.3Å; V87-V93 HydrophobicContact CG2-CG1 4.2Å; V93-F95 HydrophobicContact CG2-CE2 4.37Å; V93-K100 CarbonylContact O-C 3.56Å; V93-K100 WeakPolarHBondContact O-CA 3.36Å; V93-G101 PolarHBondContact N-O 3.11Å; V93-G101 PolarHBondContact O-N 3.18Å; V93-V113 HydrophobicContact CG2-CB 4.38Å; V93-V113 HydrophobicContact CG2-CG1 3.36Å; V93-V113 HydrophobicContact CG2-CG2 4.08Å; V93-V128 HydrophobicContact CB-CG1 3.79Å; V93-V128 HydrophobicContact CG2-CG1 3.87Å; V93-K129 CarbonylContact C-O 3.54Å; V93-K129 WeakPolarHBondContact CA-O 3.45Å
94	E	95.3	Very high	92.8	Very high	89 Å²	89	41.4 Å²	41.4	42%	0.416	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.6	180	-173.1	170.4	-173.6	0	0	109.8	V128 K129	E94-V128 WeakPolarHBondContact O-CA 3.06Å; E94-K129 PolarHBondContact N-O 2.81Å; E94-K129 PolarHBondContact O-N 2.88Å
95	F	95.3	Very high	92.8	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	155.6	175.1	-65.3	-93.1	0	0	0	110.1	V71 A79 V93 S97 G98 L99 V113 V115 I122 V128	V71-F95 HydrophobicContact CG2-CD1 4.07Å; V71-F95 HydrophobicContact CG2-CE1 3.9Å; A79-F95 HydrophobicContact CB-CE1 3.82Å; A79-F95 HydrophobicContact CB-CZ 3.83Å; V93-F95 HydrophobicContact CG2-CE2 4.37Å; F95-S97 PolarHBondContact O-N 3.45Å; F95-G98 WeakPolarHBondContact O-CA 3.5Å; F95-G98 PolarHBondContact O-N 2.61Å; F95-L99 HydrophobicContact CB-CB 4.48Å; F95-L99 HydrophobicContact CD2-CB 4.34Å; F95-L99 WeakPolarHBondContact CD2-O 3.3Å; F95-L99 PolarHBondContact N-O 2.8Å; F95-V113 HydrophobicContact CE2-CG1 4.02Å; F95-V113 HydrophobicContact CZ-CB 4.39Å; F95-V113 HydrophobicContact CZ-CG1 3.72Å; F95-V115 HydrophobicContact CE2-CG2 4.01Å; F95-V115 HydrophobicContact CZ-CG2 3.85Å; F95-I122 HydrophobicContact CB-CD1 4.43Å; F95-I122 HydrophobicContact CB-CG1 4.36Å; F95-I122 HydrophobicContact CD1-CD1 3.69Å; F95-I122 HydrophobicContact CD1-CG1 4.01Å; F95-I122 HydrophobicContact CD1-CG2 3.91Å; F95-I122 HydrophobicContact CD2-CD1 3.87Å; F95-I122 HydrophobicContact CE1-CD1 3.83Å; F95-I122 HydrophobicContact CE1-CG2 4.11Å; F95-I122 HydrophobicContact CE2-CD1 4Å; F95-I122 HydrophobicContact CG-CD1 3.73Å; F95-I122 HydrophobicContact CG-CG1 4.1Å; F95-I122 HydrophobicContact CZ-CD1 3.98Å; F95-V128 HydrophobicContact CD1-CG2 3.58Å; F95-V128 HydrophobicContact CE1-CG2 3.64Å; F95-V128 HydrophobicContact CG-CG2 4.46Å
96	S	92	Very high	93	Very high	76 Å²	76	39.6 Å²	39.6	53%	0.531	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-26	174.8	56.3	0	0	0	0	113.9	G98 I127	S96-G98 PolarHBondContact O-N 2.7Å; S96-I127 PolarHBondContact N-O 2.93Å
97	S	90.5	Very high	92.9	Very high	52 Å²	52	40 Å²	40	36%	0.364	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-4.5	173.8	58.6	0	0	0	0	114.9	F95 L99	F95-S97 PolarHBondContact O-N 3.45Å; S97-L99 PolarHBondContact O-N 3.2Å
98	G	90.6	Very high	92.6	Very high	43 Å²	43	46.2 Å²	46.2	44%	0.443	27%	0.267	S	S	.	.	S	Bend	trans	80.2	-1.2	-173.4	0	0	0	0	0	113.9	F95 S96	F95-G98 WeakPolarHBondContact O-CA 3.5Å; F95-G98 PolarHBondContact O-N 2.61Å; S96-G98 PolarHBondContact O-N 2.7Å
99	L	92.5	Very high	92.2	Very high	31 Å²	31	45.9 Å²	45.9	16%	0.162	27%	0.269	C	S	.	.			trans	-68.2	147.8	170.6	-68.9	-178.9	0	0	0	110.2	F95 S97 V115 N118 L121 I122	F95-L99 HydrophobicContact CB-CB 4.48Å; F95-L99 HydrophobicContact CD2-CB 4.34Å; F95-L99 WeakPolarHBondContact CD2-O 3.3Å; F95-L99 PolarHBondContact N-O 2.8Å; S97-L99 PolarHBondContact O-N 3.2Å; L99-V115 HydrophobicContact CD1-CG1 4.3Å; L99-N118 WeakPolarHBondContact CD1-O 3.39Å; L99-L121 HydrophobicContact CD1-CB 3.97Å; L99-L121 HydrophobicContact CD1-CD1 4.26Å; L99-I122 HydrophobicContact CD1-CD1 4.09Å; L99-I122 HydrophobicContact CD1-CG1 4.12Å
100	K	94	Very high	92.2	Very high	80 Å²	80	43.7 Å²	43.7	35%	0.348	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	156.3	175.7	-66.6	177.8	173.2	-170.2	0	110.1	M92 V93 F116	M92-K100 HydrophobicContact SD-CD 3.76Å; M92-K100 HydrophobicContact SD-CG 4.44Å; V93-K100 CarbonylContact O-C 3.56Å; V93-K100 WeakPolarHBondContact O-CA 3.36Å; K100-F116 HydrophobicContact CB-CD2 4.15Å; K100-F116 WeakPolarHBondContact O-CA 3.16Å; K100-F116 VanDerWaalsContact O-CB 3.31Å; K100-F116 WeakPolarHBondContact O-CB 3.48Å; K100-F116 PolarHBondContact O-N 3.5Å
101	G	94.1	Very high	92.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	176.9	171.1	0	0	0	0	0	111.4	M92 V93 V114	M92-G101 WeakPolarHBondContact CA-O 3.42Å; V93-G101 PolarHBondContact N-O 3.11Å; V93-G101 PolarHBondContact O-N 3.18Å; G101-V114 CarbonylContact C-O 3.58Å; G101-V114 WeakPolarHBondContact CA-O 3.26Å
102	M	94.4	Very high	92.2	Very high	6 Å²	6	41.5 Å²	41.5	3%	0.03	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.6	175.1	176.8	-179.9	62.4	0	0	110	E90 E91 L104 V113 V114 F116 V135 Y284	E90-M102 HydrophobicContact CB-SD 4.4Å; E91-M102 WeakPolarHBondContact O-CA 3.24Å; M102-L104 HydrophobicContact CE-CD1 4.12Å; M102-L104 HydrophobicContact CE-CD2 3.55Å; M102-L104 HydrophobicContact CE-CG 3.87Å; M102-L104 PolarHBondContact O-N 3.44Å; M102-L104 HydrophobicContact SD-CD2 4.38Å; M102-V113 WeakPolarHBondContact O-CA 3.41Å; M102-V114 PolarHBondContact N-O 3.09Å; M102-V114 PolarHBondContact O-N 2.98Å; M102-F116 HydrophobicContact CB-CE1 4.43Å; M102-F116 HydrophobicContact CB-CE2 3.67Å; M102-F116 HydrophobicContact CB-CZ 3.42Å; M102-F116 VanDerWaalsContact CB-CZ 3.42Å; M102-F116 HydrophobicContact CE-CZ 4.32Å; M102-F116 HydrophobicContact CG-CZ 4.45Å; M102-F116 HydrophobicContact SD-CZ 4.39Å; M102-V135 HydrophobicContact CB-CG2 4.12Å; M102-V135 HydrophobicContact CG-CG2 3.82Å; M102-V135 HydrophobicContact SD-CG2 3.74Å; M102-Y284 HydrophobicContact CE-CD1 4.48Å; M102-Y284 HydrophobicContact CE-CE1 4.06Å
103	S	93.8	Very high	92.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	124.7	171.8	56.7	0	0	0	0	110	Q88 E90 E91	Q88-S103 PolarHBondContact O-OG 2.77Å; E90-S103 WeakPolarHBondContact CA-O 3.34Å; E90-S103 PolarHBondContact N-O 3.04Å; E91-S103 PolarHBondContact N-OG 3.34Å; E91-S103 PolarHBondContact O-N 3.08Å; E91-S103 PolarHBondContact O-OG 3.44Å
104	L	90	Very high	92.2	Very high	26 Å²	26	41 Å²	41	14%	0.136	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	-43.6	178.6	-79.6	-177.2	0	0	0	113.3	M102 G112 V114 M321 L325	M102-L104 HydrophobicContact CE-CD1 4.12Å; M102-L104 HydrophobicContact CE-CD2 3.55Å; M102-L104 HydrophobicContact CE-CG 3.87Å; M102-L104 PolarHBondContact O-N 3.44Å; M102-L104 HydrophobicContact SD-CD2 4.38Å; L104-G112 PolarHBondContact N-O 3.43Å; L104-V114 HydrophobicContact CD1-CB 4.1Å; L104-V114 HydrophobicContact CD1-CG2 3.51Å; L104-V114 HydrophobicContact CG-CG2 4.26Å; L104-M321 HydrophobicContact CD1-CE 3.46Å; L104-M321 VanDerWaalsContact CD1-CE 3.46Å; L104-L325 HydrophobicContact CB-CD1 4Å; L104-L325 HydrophobicContact CD1-CD1 3.92Å
105	N	90.5	Very high	92.1	Very high	25 Å²	25	36.8 Å²	36.8	13%	0.134	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.4	176.3	-74.7	10.6	0	0	0	108.9	G112 R327	N105-G112 PolarHBondContact N-O 3.14Å; N105-G112 PolarHBondContact O-N 2.95Å; N105-R327 PolarHBondContact OD1-NE 3.13Å; N105-R327 PolarHBondContact OD1-NH2 3.48Å
106	L	92.9	Very high	92	Very high	89 Å²	89	37.1 Å²	37.1	47%	0.466	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	101	171.1	-51.2	-176.1	0	0	0	107	V87 A89 V111	V87-L106 HydrophobicContact CG1-CD2 3.76Å; A89-L106 HydrophobicContact CB-CD1 4.24Å; L106-V111 HydrophobicContact CD2-CG1 3.86Å; L106-V111 HydrophobicContact CD2-CG2 4.36Å
107	E	90	Very high	91.9	Very high	79 Å²	79	34.7 Å²	34.7	37%	0.369	21%	0.207	S	C	.	.			trans	-96.7	161.5	178.4	-56.2	-178.2	-179.7	0	0	109.7	D109 N110	E107-D109 PolarHBondContact O-N 3.25Å; E107-N110 CarbonylContact C-O 3.45Å; E107-N110 VanDerWaalsContact CA-O 3.31Å; E107-N110 WeakPolarHBondContact CA-O 3.4Å; E107-N110 VanDerWaalsContact CB-O 3.24Å; E107-N110 WeakPolarHBondContact CB-O 3.49Å; E107-N110 PolarHBondContact N-O 3.34Å; E107-N110 VanDerWaalsContact O-O 3.13Å; E107-N110 PolarHBondContact OE2-ND2 3.19Å
108	P	87.1	Confident	91.8	Very high	144 Å²	144	36.4 Å²	36.4	94%	0.935	21%	0.212	S	C	*	.	S	Bend	trans	-60.7	-28.4	-177.1	-25.6	35.8	0	0	0	114.5
109	D	86.3	Confident	91.7	Very high	93 Å²	93	36.3 Å²	36.3	50%	0.497	20%	0.202	S	C	.	.	S	Bend	trans	-114.5	-20.1	-173.5	60.2	-18.3	0	0	0	113.6	Y82 E107	Y82-D109 VanDerWaalsContact CD2-O 3.31Å; Y82-D109 WeakPolarHBondContact CD2-O 3.25Å; E107-D109 PolarHBondContact O-N 3.25Å
110	N	90.9	Very high	91.6	Very high	10 Å²	10	43 Å²	43	5%	0.053	23%	0.23	C	C	.	.			trans	-151.5	165.5	-177.4	76.4	94.8	0	0	0	112.6	L72 V81 E107	L72-N110 HydrophobicContact CD1-CB 4.09Å; V81-N110 CarbonylContact O-C 3.59Å; V81-N110 WeakPolarHBondContact O-CA 3.23Å; E107-N110 CarbonylContact C-O 3.45Å; E107-N110 VanDerWaalsContact CA-O 3.31Å; E107-N110 WeakPolarHBondContact CA-O 3.4Å; E107-N110 VanDerWaalsContact CB-O 3.24Å; E107-N110 WeakPolarHBondContact CB-O 3.49Å; E107-N110 PolarHBondContact N-O 3.34Å; E107-N110 VanDerWaalsContact O-O 3.13Å; E107-N110 PolarHBondContact OE2-ND2 3.19Å
111	V	93.6	Very high	91.6	Very high	9 Å²	9	44.1 Å²	44.1	6%	0.055	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.9	176	179.8	0	0	0	0	109.1	V81 L84 V87 L106 V113	V81-V111 PolarHBondContact N-O 2.99Å; V81-V111 PolarHBondContact O-N 3.15Å; L84-V111 HydrophobicContact CB-CG2 4.33Å; V87-V111 HydrophobicContact CG1-CG1 4.09Å; V87-V111 HydrophobicContact CG1-CG2 3.86Å; L106-V111 HydrophobicContact CD2-CG1 3.86Å; L106-V111 HydrophobicContact CD2-CG2 4.36Å; V111-V113 HydrophobicContact CG1-CG2 3.93Å; V111-V113 PolarHBondContact O-N 3.35Å
112	G	93.6	Very high	91.6	Very high	3 Å²	3	44.4 Å²	44.4	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	105.8	171.6	0	0	0	0	0	110.3	L104 N105	L104-G112 PolarHBondContact N-O 3.43Å; N105-G112 PolarHBondContact N-O 3.14Å; N105-G112 PolarHBondContact O-N 2.95Å
113	V	94.5	Very high	91.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.2	178.7	177.6	0	0	0	0	109.4	A79 V81 V93 F95 M102 V111	A79-V113 HydrophobicContact CB-CB 4.4Å; A79-V113 PolarHBondContact N-O 3.02Å; A79-V113 PolarHBondContact O-N 3.11Å; V81-V113 HydrophobicContact CB-CG2 4.47Å; V81-V113 HydrophobicContact CG2-CB 4.29Å; V81-V113 HydrophobicContact CG2-CG2 3.83Å; V93-V113 HydrophobicContact CG2-CB 4.38Å; V93-V113 HydrophobicContact CG2-CG1 3.36Å; V93-V113 HydrophobicContact CG2-CG2 4.08Å; F95-V113 HydrophobicContact CE2-CG1 4.02Å; F95-V113 HydrophobicContact CZ-CB 4.39Å; F95-V113 HydrophobicContact CZ-CG1 3.72Å; M102-V113 WeakPolarHBondContact O-CA 3.41Å; V111-V113 HydrophobicContact CG1-CG2 3.93Å; V111-V113 PolarHBondContact O-N 3.35Å
114	V	93.7	Very high	91.4	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	131.5	174.4	173.6	0	0	0	0	110	I78 G101 M102 L104 P281 M321 L325	I78-V114 HydrophobicContact CD1-CG2 4.18Å; I78-V114 HydrophobicContact CG1-CG2 4.31Å; G101-V114 CarbonylContact C-O 3.58Å; G101-V114 WeakPolarHBondContact CA-O 3.26Å; M102-V114 PolarHBondContact N-O 3.09Å; M102-V114 PolarHBondContact O-N 2.98Å; L104-V114 HydrophobicContact CD1-CB 4.1Å; L104-V114 HydrophobicContact CD1-CG2 3.51Å; L104-V114 HydrophobicContact CG-CG2 4.26Å; V114-P281 HydrophobicContact CB-CG 4.38Å; V114-P281 HydrophobicContact CG1-CB 3.3Å; V114-P281 HydrophobicContact CG1-CG 2.9Å; V114-M321 HydrophobicContact CG1-CE 4.09Å; V114-M321 HydrophobicContact CG2-CE 4.44Å; V114-L325 HydrophobicContact CG2-CD1 4.37Å
115	V	94.3	Very high	91.3	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.4	-169.9	-176.8	0	0	0	0	111.8	I74 G77 A79 F95 L99 G117 I122	I74-V115 HydrophobicContact CD1-CG2 3.87Å; G77-V115 PolarHBondContact O-N 3.39Å; A79-V115 HydrophobicContact CB-CG2 4.33Å; F95-V115 HydrophobicContact CE2-CG2 4.01Å; F95-V115 HydrophobicContact CZ-CG2 3.85Å; L99-V115 HydrophobicContact CD1-CG1 4.3Å; V115-G117 PolarHBondContact O-N 3.12Å; V115-I122 HydrophobicContact CB-CD1 4.32Å; V115-I122 HydrophobicContact CG1-CD1 3.58Å; V115-I122 HydrophobicContact CG2-CD1 3.69Å
116	F	91.9	Very high	91.4	Very high	11 Å²	11	58.9 Å²	58.9	5%	0.048	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	68.7	174.4	-60.9	-46.4	0	0	0	111.1	K100 M102 L151 P281 L282 L285	K100-F116 HydrophobicContact CB-CD2 4.15Å; K100-F116 WeakPolarHBondContact O-CA 3.16Å; K100-F116 VanDerWaalsContact O-CB 3.31Å; K100-F116 WeakPolarHBondContact O-CB 3.48Å; K100-F116 PolarHBondContact O-N 3.5Å; M102-F116 HydrophobicContact CB-CE1 4.43Å; M102-F116 HydrophobicContact CB-CE2 3.67Å; M102-F116 HydrophobicContact CB-CZ 3.42Å; M102-F116 VanDerWaalsContact CB-CZ 3.42Å; M102-F116 HydrophobicContact CE-CZ 4.32Å; M102-F116 HydrophobicContact CG-CZ 4.45Å; M102-F116 HydrophobicContact SD-CZ 4.39Å; F116-L151 HydrophobicContact CB-CD1 4.31Å; F116-L151 HydrophobicContact CD2-CD2 4.05Å; F116-L151 HydrophobicContact CE2-CD2 4.2Å; F116-L151 HydrophobicContact CG-CD2 4.48Å; F116-P281 HydrophobicContact CD1-CB 3.71Å; F116-P281 HydrophobicContact CE1-CB 3.65Å; F116-L282 HydrophobicContact CB-CD2 4.03Å; F116-L282 HydrophobicContact CB-CG 4.41Å; F116-L282 HydrophobicContact CD1-CD2 3.93Å; F116-L282 HydrophobicContact CD1-CG 4.22Å; F116-L282 HydrophobicContact CG-CD2 4.19Å; F116-L285 HydrophobicContact CE1-CD2 4.24Å; F116-L285 HydrophobicContact CZ-CD2 4.07Å
117	G	89.7	Confident	91.4	Very high	26 Å²	26	58.6 Å²	58.6	27%	0.268	31%	0.314	S	S	.	.	S	Bend	trans	158.6	-155.1	178.7	0	0	0	0	0	113.8	V115	V115-G117 PolarHBondContact O-N 3.12Å
118	N	90	Very high	91.7	Very high	87 Å²	87	54.9 Å²	54.9	47%	0.465	30%	0.297	S	S	.	.			trans	-84.5	112.5	178.4	-175	0.5	0	0	0	110.2	L99 K120 L121	L99-N118 WeakPolarHBondContact CD1-O 3.39Å; N118-K120 PolarHBondContact O-N 3.49Å; N118-K120 WeakPolarHBondContact OD1-CB 3.45Å; N118-K120 WeakPolarHBondContact OD1-CG 3.43Å; N118-K120 PolarHBondContact OD1-N 2.64Å; N118-L121 PolarHBondContact O-N 3.41Å
119	D	88.5	Confident	92	Very high	42 Å²	42	54 Å²	54	23%	0.225	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-66.1	-20.3	-177.6	59.7	-12.9	0	0	0	114.2	I74 D76 G77 L121 I122	I74-D119 HydrophobicContact CD1-CB 4.04Å; I74-D119 HydrophobicContact CG1-CB 4.08Å; D76-D119 PolarHBondContact N-OD2 3.33Å; G77-D119 PolarHBondContact N-OD2 3.05Å; D119-L121 PolarHBondContact O-N 2.93Å; D119-I122 PolarHBondContact O-N 3.32Å
120	K	90.6	Very high	92.4	Very high	172 Å²	172	51.6 Å²	51.6	75%	0.748	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-60.2	-17	176.7	-63.6	-178.9	-179.5	-178.3	0	114.8	N118 I122	N118-K120 PolarHBondContact O-N 3.49Å; N118-K120 WeakPolarHBondContact OD1-CB 3.45Å; N118-K120 WeakPolarHBondContact OD1-CG 3.43Å; N118-K120 PolarHBondContact OD1-N 2.64Å; K120-I122 VanDerWaalsContact C-N 3.33Å
121	L	92.5	Very high	92.4	Very high	102 Å²	102	53.8 Å²	53.8	53%	0.534	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-86.4	-6.8	177.8	-60.1	179	0	0	0	112.9	L99 N118 D119	L99-L121 HydrophobicContact CD1-CB 3.97Å; L99-L121 HydrophobicContact CD1-CD1 4.26Å; N118-L121 PolarHBondContact O-N 3.41Å; D119-L121 PolarHBondContact O-N 2.93Å
122	I	93.8	Very high	92.2	Very high	7 Å²	7	56 Å²	56	4%	0.036	30%	0.3	C	S	.	.			trans	-106.2	137.8	179	-60.4	166.2	0	0	0	108.2	V71 I74 F95 L99 V115 D119 K120 D126	V71-I122 HydrophobicContact CG1-CG2 4.29Å; V71-I122 HydrophobicContact CG2-CG2 3.99Å; I74-I122 HydrophobicContact CB-CG2 4.34Å; I74-I122 HydrophobicContact CD1-CB 4.47Å; I74-I122 HydrophobicContact CD1-CD1 4.39Å; I74-I122 HydrophobicContact CD1-CG2 4.4Å; I74-I122 HydrophobicContact CG1-CB 4.26Å; I74-I122 HydrophobicContact CG1-CG2 4.27Å; F95-I122 HydrophobicContact CB-CD1 4.43Å; F95-I122 HydrophobicContact CB-CG1 4.36Å; F95-I122 HydrophobicContact CD1-CD1 3.69Å; F95-I122 HydrophobicContact CD1-CG1 4.01Å; F95-I122 HydrophobicContact CD1-CG2 3.91Å; F95-I122 HydrophobicContact CD2-CD1 3.87Å; F95-I122 HydrophobicContact CE1-CD1 3.83Å; F95-I122 HydrophobicContact CE1-CG2 4.11Å; F95-I122 HydrophobicContact CE2-CD1 4Å; F95-I122 HydrophobicContact CG-CD1 3.73Å; F95-I122 HydrophobicContact CG-CG1 4.1Å; F95-I122 HydrophobicContact CZ-CD1 3.98Å; L99-I122 HydrophobicContact CD1-CD1 4.09Å; L99-I122 HydrophobicContact CD1-CG1 4.12Å; V115-I122 HydrophobicContact CB-CD1 4.32Å; V115-I122 HydrophobicContact CG1-CD1 3.58Å; V115-I122 HydrophobicContact CG2-CD1 3.69Å; D119-I122 PolarHBondContact O-N 3.32Å; K120-I122 VanDerWaalsContact C-N 3.33Å; I122-D126 WeakPolarHBondContact CA-OD2 3.45Å
123	K	93.3	Very high	92	Very high	148 Å²	148	57.4 Å²	57.4	64%	0.643	31%	0.312	S	S	*	.			trans	-124.1	159.7	177.7	-63.6	-179	-177.1	176.9	0	110.7	D126	K123-D126 PolarHBondContact N-OD2 2.8Å; K123-D126 VanDerWaalsContact O-CB 3.27Å; K123-D126 WeakPolarHBondContact O-CB 3.28Å; K123-D126 PolarHBondContact O-N 3.18Å
124	E	91.8	Very high	92	Very high	134 Å²	134	59 Å²	59	63%	0.626	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	139.9	167.1	-176.9	177.8	170.3	0	0	110.3	L72 D126	L72-E124 WeakPolarHBondContact O-CG 2.99Å; E124-D126 VanDerWaalsContact C-N 3.28Å; E124-D126 PolarHBondContact O-N 3.46Å
125	G	88.5	Confident	91.9	Very high	42 Å²	42	59 Å²	59	43%	0.433	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-10.2	-174.5	0	0	0	0	0	114.8	V71	V71-G125 PolarHBondContact O-N 3.17Å
126	D	92.8	Very high	91.9	Very high	36 Å²	36	60.5 Å²	60.5	19%	0.193	33%	0.328	C	S	.	.			trans	-60	140.8	178.7	-81.2	-13.6	0	0	0	111.6	R70 V71 I122 K123 E124	R70-D126 CarbonylContact C-O 3.58Å; R70-D126 WeakPolarHBondContact CA-O 3.31Å; V71-D126 HydrophobicContact CB-CB 4.45Å; V71-D126 HydrophobicContact CG2-CB 4.05Å; V71-D126 WeakPolarHBondContact CG2-O 3.28Å; V71-D126 PolarHBondContact N-O 3.31Å; I122-D126 WeakPolarHBondContact CA-OD2 3.45Å; K123-D126 PolarHBondContact N-OD2 2.8Å; K123-D126 VanDerWaalsContact O-CB 3.27Å; K123-D126 WeakPolarHBondContact O-CB 3.28Å; K123-D126 PolarHBondContact O-N 3.18Å; E124-D126 VanDerWaalsContact C-N 3.28Å; E124-D126 PolarHBondContact O-N 3.46Å
127	I	92.6	Very high	92	Very high	84 Å²	84	60 Å²	60	43%	0.431	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	134	177.4	-59.2	173.4	0	0	0	109.4	G69 S96 K129	G69-I127 CarbonylContact O-C 3.57Å; G69-I127 WeakPolarHBondContact O-CA 3.47Å; S96-I127 PolarHBondContact N-O 2.93Å; I127-K129 HydrophobicContact CG2-CG 4.24Å
128	V	95.2	Very high	92.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.3	172.7	-172.6	0	0	0	0	108.4	T68 G69 V71 V81 L84 V93 E94 F95	T68-V128 CarbonylContact C-O 3.56Å; T68-V128 WeakPolarHBondContact CA-O 3.11Å; G69-V128 PolarHBondContact N-O 3.33Å; G69-V128 PolarHBondContact O-N 3.32Å; V71-V128 HydrophobicContact CG2-CG2 3.57Å; V81-V128 HydrophobicContact CG1-CB 3.96Å; V81-V128 HydrophobicContact CG1-CG2 3.94Å; V81-V128 HydrophobicContact CG2-CB 4.5Å; V81-V128 HydrophobicContact CG2-CG2 3.9Å; L84-V128 HydrophobicContact CD1-CB 4.48Å; L84-V128 HydrophobicContact CD1-CG1 4.08Å; V93-V128 HydrophobicContact CB-CG1 3.79Å; V93-V128 HydrophobicContact CG2-CG1 3.87Å; E94-V128 WeakPolarHBondContact O-CA 3.06Å; F95-V128 HydrophobicContact CD1-CG2 3.58Å; F95-V128 HydrophobicContact CE1-CG2 3.64Å; F95-V128 HydrophobicContact CG-CG2 4.46Å
129	K	94.8	Very high	92.6	Very high	125 Å²	125	55.1 Å²	55.1	54%	0.543	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.9	177.2	-59.8	-170.1	178.6	-179.2	0	109.7	T68 V93 E94 I127	T68-K129 HydrophobicContact CG2-CG 4Å; V93-K129 CarbonylContact C-O 3.54Å; V93-K129 WeakPolarHBondContact CA-O 3.45Å; E94-K129 PolarHBondContact N-O 2.81Å; E94-K129 PolarHBondContact O-N 2.88Å; I127-K129 HydrophobicContact CG2-CG 4.24Å
130	R	93.5	Very high	92.9	Very high	43 Å²	43	53.1 Å²	53.1	16%	0.162	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	149.6	171.1	69.2	-177.6	-74.6	-149	17.1	111.2	E67 L84 N86 E91	E67-R130 WeakPolarHBondContact O-CG 3.48Å; E67-R130 PolarHBondContact O-N 3.47Å; E67-R130 IonicContact OE1-NH1 3.99Å; E67-R130 PolarHBondContact OE1-NH1 3.39Å; E67-R130 WeakPolarHBondContact OE2-CD 3.35Å; E67-R130 WeakPolarHBondContact OE2-CG 3.3Å; E67-R130 IonicContact OE2-NE 3.22Å; E67-R130 IonicContact OE2-NH1 3.97Å; L84-R130 HydrophobicContact CD2-CB 4.27Å; N86-R130 PolarHBondContact O-NH1 3.27Å; N86-R130 PolarHBondContact O-NH2 3.37Å; E91-R130 WeakPolarHBondContact OE1-CB 3.27Å; E91-R130 IonicContact OE1-CZ 2.67Å; E91-R130 IonicContact OE1-NE 2.86Å; E91-R130 PolarHBondContact OE1-NE 2.85Å; E91-R130 IonicContact OE1-NH2 3.64Å; E91-R130 PolarHBondContact OE1-NH2 2.75Å; E91-R130 IonicContact OE2-CZ 3.57Å; E91-R130 IonicContact OE2-NE 3.26Å; E91-R130 PolarHBondContact OE2-NE 2.84Å; E91-R130 IonicContact OE2-NH2 3.61Å; E91-R130 PolarHBondContact OE2-NH2 3.06Å
131	T	90.9	Very high	93.1	Very high	57 Å²	57	49.2 Å²	49.2	35%	0.35	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-11.8	178.6	63.9	0	0	0	0	112.9	M92 A133	M92-T131 HydrophobicContact CB-CG2 4.26Å; M92-T131 WeakPolarHBondContact CB-OG1 3.42Å; M92-T131 HydrophobicContact CG-CG2 4.11Å; M92-T131 WeakPolarHBondContact O-CB 3.33Å; M92-T131 WeakPolarHBondContact O-CG2 3.2Å; M92-T131 PolarHBondContact O-N 3.16Å; M92-T131 PolarHBondContact O-OG1 3.15Å; T131-A133 PolarHBondContact O-N 3.14Å; T131-A133 PolarHBondContact OG1-N 3.14Å; T131-A133 PolarHBondContact OG1-O 2.88Å
132	G	90.6	Very high	93.1	Very high	54 Å²	54	49 Å²	49	56%	0.557	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	75.3	4.3	-175.5	0	0	0	0	0	113.9	E91	E91-G132 WeakPolarHBondContact OE1-CA 3.39Å; E91-G132 PolarHBondContact OE1-N 3.12Å
133	A	89.1	Confident	93.3	Very high	34 Å²	34	48.7 Å²	48.7	28%	0.281	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.6	-176.4	0	0	0	0	0	111.7	E91 M92 T131	E91-A133 WeakPolarHBondContact CG-O 3.42Å; M92-A133 PolarHBondContact N-O 3.41Å; T131-A133 PolarHBondContact O-N 3.14Å; T131-A133 PolarHBondContact OG1-N 3.14Å; T131-A133 PolarHBondContact OG1-O 2.88Å
134	I	93.3	Very high	93.4	Very high	32 Å²	32	43.3 Å²	43.3	16%	0.164	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	142.3	162.7	-62.5	175.1	0	0	0	108.2	E90 D136 R168	E90-I134 HydrophobicContact CB-CG2 4.34Å; E90-I134 WeakPolarHBondContact O-CA 3.24Å; I134-D136 PolarHBondContact O-N 2.87Å; I134-D136 VanDerWaalsContact O-N 3.08Å; I134-R168 HydrophobicContact CB-CG 4.45Å
135	V	92.1	Very high	93.6	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	22%	0.216	C	C	.	.	S	Bend	trans	-46.3	119.9	-177.6	177.6	0	0	0	0	111.1	E90 M92 M102 R168 V169 L285	E90-V135 PolarHBondContact O-N 3.25Å; E90-V135 VanDerWaalsContact O-N 3.11Å; M92-V135 HydrophobicContact CB-CG2 4.21Å; M92-V135 HydrophobicContact CE-CB 4.31Å; M92-V135 HydrophobicContact CE-CG1 3.97Å; M92-V135 HydrophobicContact CE-CG2 4.06Å; M102-V135 HydrophobicContact CB-CG2 4.12Å; M102-V135 HydrophobicContact CG-CG2 3.82Å; M102-V135 HydrophobicContact SD-CG2 3.74Å; V135-R168 WeakPolarHBondContact O-CA 3.34Å; V135-V169 HydrophobicContact CB-CG2 3.99Å; V135-V169 HydrophobicContact CG1-CG1 4.06Å; V135-V169 HydrophobicContact CG1-CG2 3.81Å; V135-V169 WeakPolarHBondContact O-CG2 3.25Å; V135-V169 PolarHBondContact O-N 3.19Å; V135-L285 HydrophobicContact CG1-CD1 3.98Å; V135-L285 HydrophobicContact CG1-CD2 4.01Å
136	D	93.6	Very high	94	Very high	34 Å²	34	36.7 Å²	36.7	18%	0.182	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	161.4	179.4	71.4	-2.5	0	0	0	110.7	I134 R166 R167 R168	I134-D136 PolarHBondContact O-N 2.87Å; I134-D136 VanDerWaalsContact O-N 3.08Å; D136-R166 HydrophobicContact CB-CB 4.48Å; D136-R166 PolarHBondContact O-NH2 2.73Å; D136-R166 IonicContact OD1-CZ 3.6Å; D136-R166 IonicContact OD1-NE 3.59Å; D136-R166 PolarHBondContact OD1-NE 2.85Å; D136-R166 IonicContact OD1-NH2 2.78Å; D136-R166 PolarHBondContact OD1-NH2 3.37Å; D136-R166 WeakPolarHBondContact OD2-CB 3.45Å; D136-R166 IonicContact OD2-NE 3.51Å; D136-R166 PolarHBondContact OD2-NE 3.01Å; D136-R166 VanDerWaalsContact OD2-NE 3.09Å; D136-R167 CarbonylContact C-O 3.54Å; D136-R167 VanDerWaalsContact CA-O 3.25Å; D136-R167 WeakPolarHBondContact CA-O 3.32Å; D136-R167 WeakPolarHBondContact CB-O 3.46Å; D136-R168 HydrophobicContact CB-CG 4.49Å
137	V	95	Very high	94.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	150.6	179.8	-67.5	0	0	0	0	110.3	V139 R166 R167 V169 M293	V137-V139 HydrophobicContact CG2-CG1 4.42Å; V137-R166 CarbonylContact O-C 3.48Å; V137-R166 VanDerWaalsContact O-CA 3.29Å; V137-R166 WeakPolarHBondContact O-CA 3.31Å; V137-R167 PolarHBondContact N-O 3.4Å; V137-R167 PolarHBondContact O-N 3.32Å; V137-V169 HydrophobicContact CB-CG1 4.4Å; V137-V169 HydrophobicContact CG1-CG1 3.7Å; V137-V169 HydrophobicContact CG2-CG1 3.98Å; V137-M293 HydrophobicContact CB-CE 4.35Å; V137-M293 HydrophobicContact CG2-CE 4.4Å
138	P	95.7	Very high	94.5	Very high	10 Å²	10	31.7 Å²	31.7	7%	0.065	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	140	170	27.8	-33.9	0	0	0	110	L143 G152 L161 I165	P138-L143 WeakPolarHBondContact O-CD1 3.22Å; P138-G152 WeakPolarHBondContact CG-O 3.33Å; P138-L161 HydrophobicContact CG-CD1 4.16Å; P138-I165 WeakPolarHBondContact CA-O 3.42Å
139	V	96.1	Very high	94.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.184	C	C	.	.			trans	-131.8	157.7	174.9	-60.9	0	0	0	0	109.6	V137 S163 I165 R167 M293 F296	V137-V139 HydrophobicContact CG2-CG1 4.42Å; V139-S163 PolarHBondContact O-OG 2.62Å; V139-I165 HydrophobicContact CG2-CB 4.24Å; V139-I165 HydrophobicContact CG2-CG2 3.75Å; V139-I165 PolarHBondContact N-O 3.34Å; V139-R167 HydrophobicContact CG1-CB 4.01Å; V139-R167 HydrophobicContact CG1-CG 4.36Å; V139-R167 HydrophobicContact CG2-CB 4.21Å; V139-R167 HydrophobicContact CG2-CG 3.71Å; V139-M293 HydrophobicContact CG1-CG 4.37Å; V139-F296 HydrophobicContact CB-CB 4.05Å; V139-F296 HydrophobicContact CB-CD2 4.3Å; V139-F296 HydrophobicContact CB-CG 4.35Å; V139-F296 HydrophobicContact CG2-CB 4.39Å; V139-F296 HydrophobicContact CG2-CD2 3.9Å; V139-F296 HydrophobicContact CG2-CG 4.44Å
140	G	94.8	Very high	94.6	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	16%	0.158	C	C	.	.	S	Bend	trans	137.6	172.6	179.1	0	0	0	0	0	113.7	Q142 L143	G140-Q142 PolarHBondContact O-N 2.89Å; G140-L143 PolarHBondContact O-N 3.43Å
141	E	94.6	Very high	94.6	Very high	90 Å²	90	26.2 Å²	26.2	42%	0.421	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-70.8	-20.8	-179.4	-58.4	-172.9	-176.2	0	0	112.7	L143 L144 F296 F297 K302	E141-L143 PolarHBondContact O-N 2.93Å; E141-L143 VanDerWaalsContact O-N 3.08Å; E141-L144 HydrophobicContact CB-CD1 4.17Å; E141-L144 VanDerWaalsContact O-CB 3.28Å; E141-L144 WeakPolarHBondContact O-CB 3.45Å; E141-L144 VanDerWaalsContact O-CG 3.25Å; E141-L144 WeakPolarHBondContact O-CG 3.47Å; E141-L144 PolarHBondContact O-N 2.85Å; E141-F296 HydrophobicContact CG-CE1 3.98Å; E141-F297 HydrophobicContact CG-CE1 4.12Å; E141-K302 IonicContact OE1-NZ 2.93Å; E141-K302 PolarHBondContact OE1-NZ 3.47Å; E141-K302 IonicContact OE2-NZ 3.23Å
142	Q	94	Very high	94.7	Very high	98 Å²	98	23.6 Å²	23.6	46%	0.458	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-64.5	-13.5	177.3	-56.9	85.3	-4.1	0	0	113.2	G140 R146	G140-Q142 PolarHBondContact O-N 2.89Å; Q142-R146 WeakPolarHBondContact O-CG 3.47Å
143	L	96.1	Very high	94.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-81.2	-16.7	174.4	-71.1	151.4	0	0	0	112.8	P138 G140 E141 G145 R146 V148 L161 I270 M293	P138-L143 WeakPolarHBondContact O-CD1 3.22Å; G140-L143 PolarHBondContact O-N 3.43Å; E141-L143 PolarHBondContact O-N 2.93Å; E141-L143 VanDerWaalsContact O-N 3.08Å; L143-G145 PolarHBondContact O-N 2.99Å; L143-R146 VanDerWaalsContact O-CB 3.23Å; L143-R146 WeakPolarHBondContact O-CB 3.17Å; L143-R146 WeakPolarHBondContact O-CG 3.22Å; L143-R146 PolarHBondContact O-N 3.28Å; L143-V148 HydrophobicContact CD2-CG1 3.74Å; L143-L161 HydrophobicContact CD2-CD1 3.66Å; L143-L161 HydrophobicContact CD2-CD2 4.08Å; L143-I270 HydrophobicContact CB-CD1 3.62Å; L143-I270 HydrophobicContact CB-CG1 4Å; L143-I270 HydrophobicContact CB-CG2 4.19Å; L143-M293 HydrophobicContact CD1-CG 4.14Å; L143-M293 HydrophobicContact CD1-SD 4.4Å; L143-M293 HydrophobicContact CD2-CE 4.37Å
144	L	96.5	Very high	95.2	Very high	35 Å²	35	25 Å²	25	18%	0.183	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	131.7	179.2	-63	173	0	0	0	110	E141 R146 Y240 I270 F297	E141-L144 HydrophobicContact CB-CD1 4.17Å; E141-L144 VanDerWaalsContact O-CB 3.28Å; E141-L144 WeakPolarHBondContact O-CB 3.45Å; E141-L144 VanDerWaalsContact O-CG 3.25Å; E141-L144 WeakPolarHBondContact O-CG 3.47Å; E141-L144 PolarHBondContact O-N 2.85Å; L144-R146 PolarHBondContact O-N 2.87Å; L144-Y240 HydrophobicContact CD1-CD1 3.74Å; L144-Y240 HydrophobicContact CD1-CE1 3.82Å; L144-Y240 HydrophobicContact CD2-CD1 3.89Å; L144-Y240 HydrophobicContact CG-CD1 4.49Å; L144-I270 HydrophobicContact CD2-CD1 4.37Å; L144-I270 HydrophobicContact CD2-CG1 3.97Å; L144-F297 HydrophobicContact CD1-CE1 4.38Å; L144-F297 HydrophobicContact CD1-CZ 4.39Å; L144-F297 HydrophobicContact CD2-CE1 4.36Å; L144-F297 HydrophobicContact CD2-CZ 3.74Å; L144-F297 HydrophobicContact CG-CZ 4.14Å
145	G	96.4	Very high	95.3	Very high	10 Å²	10	27.9 Å²	27.9	10%	0.103	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	6.5	-175.9	0	0	0	0	0	115.1	L143 K158 M266 T269	L143-G145 PolarHBondContact O-N 2.99Å; G145-K158 PolarHBondContact O-NZ 3.42Å; G145-M266 WeakPolarHBondContact CA-O 3.31Å; G145-M266 PolarHBondContact N-O 3.37Å; G145-M266 VanDerWaalsContact N-O 3.11Å; G145-T269 PolarHBondContact N-O 2.95Å
146	R	97.3	Very high	95.3	Very high	27 Å²	27	29.8 Å²	29.8	10%	0.102	16%	0.159	C	C	.	.			trans	-105.1	152.6	179.5	-50.9	-58.3	-56.2	-89.8	-3.7	111.9	Q142 L143 L144 V148 A154 D156 G159 P160 L161 V271	Q142-R146 WeakPolarHBondContact O-CG 3.47Å; L143-R146 VanDerWaalsContact O-CB 3.23Å; L143-R146 WeakPolarHBondContact O-CB 3.17Å; L143-R146 WeakPolarHBondContact O-CG 3.22Å; L143-R146 PolarHBondContact O-N 3.28Å; L144-R146 PolarHBondContact O-N 2.87Å; R146-V148 HydrophobicContact CB-CG1 4.47Å; R146-A154 VanDerWaalsContact NH2-CB 3.31Å; R146-D156 VanDerWaalsContact CA-OD2 3.27Å; R146-D156 WeakPolarHBondContact CA-OD2 3.32Å; R146-D156 IonicContact CZ-OD1 3.47Å; R146-D156 IonicContact CZ-OD2 2.69Å; R146-D156 IonicContact NE-OD1 2.73Å; R146-D156 IonicContact NE-OD2 3.82Å; R146-D156 PolarHBondContact NE-OD2 3.18Å; R146-D156 IonicContact NH2-OD1 3.56Å; R146-D156 PolarHBondContact NH2-OD1 3.49Å; R146-D156 IonicContact NH2-OD2 3.21Å; R146-G159 PolarHBondContact NH2-O 3.15Å; R146-P160 PolarHBondContact NH1-O 3.48Å; R146-L161 HydrophobicContact CB-CD2 4.14Å; R146-L161 HydrophobicContact CG-CD2 3.81Å; R146-V271 PolarHBondContact O-N 3.11Å; R146-V271 VanDerWaalsContact O-N 3.11Å
147	V	97.8	Very high	95.3	Very high	15 Å²	15	31.9 Å²	31.9	9%	0.091	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.5	167	-168.1	0	0	0	0	108.4	I155 D156 V257 V271	V147-I155 HydrophobicContact CB-CG1 4.24Å; V147-I155 HydrophobicContact CG1-CD1 4.01Å; V147-I155 HydrophobicContact CG1-CG1 3.85Å; V147-I155 PolarHBondContact O-N 2.86Å; V147-D156 HydrophobicContact CB-CB 3.94Å; V147-D156 HydrophobicContact CG2-CB 4.07Å; V147-D156 PolarHBondContact N-OD2 3.36Å; V147-V257 HydrophobicContact CG2-CG1 4.13Å; V147-V257 HydrophobicContact CG2-CG2 3.86Å; V147-V271 CarbonylContact C-O 3.51Å; V147-V271 WeakPolarHBondContact CA-O 3.34Å; V147-V271 HydrophobicContact CB-CB 4.45Å; V147-V271 HydrophobicContact CG1-CB 4.08Å; V147-V271 HydrophobicContact CG1-CG1 3.98Å; V147-V271 HydrophobicContact CG2-CB 4.2Å
148	V	97.5	Very high	95.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153.9	-176.8	-60.1	0	0	0	0	111.9	L143 R146 N153 L161 I270 V271 V272 S273 M293	L143-V148 HydrophobicContact CD2-CG1 3.74Å; R146-V148 HydrophobicContact CB-CG1 4.47Å; V148-N153 CarbonylContact C-O 3.57Å; V148-N153 WeakPolarHBondContact CA-O 3.32Å; V148-N153 WeakPolarHBondContact CB-O 3.47Å; V148-L161 HydrophobicContact CG1-CD1 3.97Å; V148-L161 HydrophobicContact CG1-CD2 4.46Å; V148-I270 HydrophobicContact CG2-CG2 4.41Å; V148-V271 PolarHBondContact N-O 3.41Å; V148-V272 HydrophobicContact CG2-CB 4.47Å; V148-V272 HydrophobicContact CG2-CG2 3.94Å; V148-V272 CarbonylContact O-C 3.5Å; V148-V272 WeakPolarHBondContact O-CA 3.42Å; V148-S273 PolarHBondContact O-N 2.88Å; V148-M293 HydrophobicContact CG2-CE 3.82Å; V148-M293 HydrophobicContact CG2-SD 4.12Å
149	D	96	Very high	94.9	Very high	33 Å²	33	39.8 Å²	39.8	18%	0.176	23%	0.233	C	C	.	.			trans	-78	-178.8	171	72.3	13.5	0	0	0	112.1	L151 G152 N153 I155	D149-L151 PolarHBondContact O-N 3.02Å; D149-L151 WeakPolarHBondContact OD1-CA 3.2Å; D149-L151 WeakPolarHBondContact OD1-CB 3.33Å; D149-L151 PolarHBondContact OD1-N 3.32Å; D149-G152 PolarHBondContact O-N 3.19Å; D149-G152 PolarHBondContact OD1-N 3.36Å; D149-N153 PolarHBondContact N-O 3.34Å; D149-N153 PolarHBondContact OD1-N 2.88Å; D149-N153 PolarHBondContact OD1-ND2 3.42Å; D149-N153 WeakPolarHBondContact OD2-CB 3.38Å; D149-N153 PolarHBondContact OD2-ND2 3.41Å; D149-I155 HydrophobicContact CB-CG2 4.07Å
150	A	95.3	Very high	94.6	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.008	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.3	179.4	0	0	0	0	0	114.4	A274 L282 L285 A286 S289	A150-A274 HydrophobicContact CB-CB 4.47Å; A150-L282 HydrophobicContact CB-CB 4.14Å; A150-L282 HydrophobicContact CB-CD2 3.94Å; A150-L282 VanDerWaalsContact CB-O 3.3Å; A150-L282 WeakPolarHBondContact CB-O 3.45Å; A150-L285 HydrophobicContact CB-CB 4.41Å; A150-A286 HydrophobicContact CB-CB 3.92Å; A150-S289 VanDerWaalsContact O-CB 3.3Å; A150-S289 WeakPolarHBondContact O-CB 3.35Å; A150-S289 PolarHBondContact O-OG 2.9Å
151	L	93.6	Very high	94.3	Very high	19 Å²	19	47.3 Å²	47.3	10%	0.099	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-3	174.8	-62.2	175	0	0	0	112.2	M92 F116 D149 L282 L285	M92-L151 HydrophobicContact CE-CD2 4.09Å; F116-L151 HydrophobicContact CB-CD1 4.31Å; F116-L151 HydrophobicContact CD2-CD2 4.05Å; F116-L151 HydrophobicContact CE2-CD2 4.2Å; F116-L151 HydrophobicContact CG-CD2 4.48Å; D149-L151 PolarHBondContact O-N 3.02Å; D149-L151 WeakPolarHBondContact OD1-CA 3.2Å; D149-L151 WeakPolarHBondContact OD1-CB 3.33Å; D149-L151 PolarHBondContact OD1-N 3.32Å; L151-L282 HydrophobicContact CD1-CD2 4.31Å; L151-L282 HydrophobicContact CG-CD2 4.02Å; L151-L285 HydrophobicContact CD2-CD2 3.73Å
152	G	93.3	Very high	93.6	Very high	2 Å²	2	46.2 Å²	46.2	2%	0.021	29%	0.292	C	S	.	.			trans	81.8	18.2	-179	0	0	0	0	0	114.3	P138 D149 L161	P138-G152 WeakPolarHBondContact CG-O 3.33Å; D149-G152 PolarHBondContact O-N 3.19Å; D149-G152 PolarHBondContact OD1-N 3.36Å; G152-L161 WeakPolarHBondContact O-CD1 3.37Å
153	N	93.9	Very high	92.6	Very high	83 Å²	83	42.7 Å²	42.7	44%	0.444	28%	0.278	S	S	.	.			trans	-78.7	140.7	170.9	-50	-59.2	0	0	0	110	V148 D149	V148-N153 CarbonylContact C-O 3.57Å; V148-N153 WeakPolarHBondContact CA-O 3.32Å; V148-N153 WeakPolarHBondContact CB-O 3.47Å; D149-N153 PolarHBondContact N-O 3.34Å; D149-N153 PolarHBondContact OD1-N 2.88Å; D149-N153 PolarHBondContact OD1-ND2 3.42Å; D149-N153 WeakPolarHBondContact OD2-CB 3.38Å; D149-N153 PolarHBondContact OD2-ND2 3.41Å
154	A	95.5	Very high	91.6	Very high	35 Å²	35	48 Å²	48	29%	0.289	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-70.1	131.2	176.7	0	0	0	0	0	111.9	R146 L161	R146-A154 VanDerWaalsContact NH2-CB 3.31Å; A154-L161 HydrophobicContact CB-CD2 4.45Å; A154-L161 HydrophobicContact CB-CG 4.17Å
155	I	95.4	Very high	91.4	Very high	91 Å²	91	50.3 Å²	50.3	47%	0.467	33%	0.327	S	S	.	.			trans	-123	8.7	179.4	62.4	170.4	0	0	0	112.9	V147 D149	V147-I155 HydrophobicContact CB-CG1 4.24Å; V147-I155 HydrophobicContact CG1-CD1 4.01Å; V147-I155 HydrophobicContact CG1-CG1 3.85Å; V147-I155 PolarHBondContact O-N 2.86Å; D149-I155 HydrophobicContact CB-CG2 4.07Å
156	D	93.6	Very high	91.3	Very high	41 Å²	41	55.4 Å²	55.4	22%	0.219	34%	0.343	C	S	.	.	S	Bend	trans	-88.7	-2	-179.1	56.2	16.2	0	0	0	114.6	R146 V147 K158	R146-D156 VanDerWaalsContact CA-OD2 3.27Å; R146-D156 WeakPolarHBondContact CA-OD2 3.32Å; R146-D156 IonicContact CZ-OD1 3.47Å; R146-D156 IonicContact CZ-OD2 2.69Å; R146-D156 IonicContact NE-OD1 2.73Å; R146-D156 IonicContact NE-OD2 3.82Å; R146-D156 PolarHBondContact NE-OD2 3.18Å; R146-D156 IonicContact NH2-OD1 3.56Å; R146-D156 PolarHBondContact NH2-OD1 3.49Å; R146-D156 IonicContact NH2-OD2 3.21Å; V147-D156 HydrophobicContact CB-CB 3.94Å; V147-D156 HydrophobicContact CG2-CB 4.07Å; V147-D156 PolarHBondContact N-OD2 3.36Å; D156-K158 HydrophobicContact CB-CG 4.37Å; D156-K158 PolarHBondContact O-N 3.26Å; D156-K158 WeakPolarHBondContact OD1-CB 3.36Å; D156-K158 PolarHBondContact OD1-N 3.37Å
157	G	92.6	Very high	91.1	Very high	78 Å²	78	57 Å²	57	80%	0.804	35%	0.349	S	S	*	.	S	Bend	trans	72.8	6.9	-178.1	0	0	0	0	0	114.9	G159	G157-G159 PolarHBondContact O-N 3.27Å
158	K	92	Very high	91	Very high	139 Å²	139	62.8 Å²	62.8	60%	0.604	37%	0.369	S	S	*	.	S	Bend	trans	-86.4	18.8	179.8	-59.2	179.8	-177.5	175.1	0	113.8	G145 D156	G145-K158 PolarHBondContact O-NZ 3.42Å; D156-K158 HydrophobicContact CB-CG 4.37Å; D156-K158 PolarHBondContact O-N 3.26Å; D156-K158 WeakPolarHBondContact OD1-CB 3.36Å; D156-K158 PolarHBondContact OD1-N 3.37Å
159	G	91.2	Very high	90.9	Very high	38 Å²	38	63.2 Å²	63.2	39%	0.392	37%	0.372	S	S	.	.			trans	81.7	-176.2	-175.7	0	0	0	0	0	114.3	R146 G157	R146-G159 PolarHBondContact NH2-O 3.15Å; G157-G159 PolarHBondContact O-N 3.27Å
160	P	89.8	Confident	90.5	Very high	121 Å²	121	63.6 Å²	63.6	79%	0.786	38%	0.384	S	S	*	.			trans	-67.2	164.7	-177.2	27.3	-33.7	0	0	0	112.9	R146	R146-P160 PolarHBondContact NH1-O 3.48Å
161	L	88.5	Confident	90.3	Very high	38 Å²	38	66.8 Å²	66.8	20%	0.199	40%	0.4	C	S	.	.			trans	-83.5	138.6	172.7	-64	168.3	0	0	0	109.8	P138 L143 R146 V148 G152 A154 S163	P138-L161 HydrophobicContact CG-CD1 4.16Å; L143-L161 HydrophobicContact CD2-CD1 3.66Å; L143-L161 HydrophobicContact CD2-CD2 4.08Å; R146-L161 HydrophobicContact CB-CD2 4.14Å; R146-L161 HydrophobicContact CG-CD2 3.81Å; V148-L161 HydrophobicContact CG1-CD1 3.97Å; V148-L161 HydrophobicContact CG1-CD2 4.46Å; G152-L161 WeakPolarHBondContact O-CD1 3.37Å; A154-L161 HydrophobicContact CB-CD2 4.45Å; A154-L161 HydrophobicContact CB-CG 4.17Å; L161-S163 VanDerWaalsContact C-N 3.28Å; L161-S163 PolarHBondContact O-N 3.13Å
162	G	78.7	Confident	90.3	Very high	67 Å²	67	75.3 Å²	75.3	69%	0.691	44%	0.437	S	S	*	.			trans	-86.3	13.9	174.6	0	0	0	0	0	114.6
163	S	73.4	Confident	90.4	Very high	24 Å²	24	76.3 Å²	76.3	17%	0.168	45%	0.445	C	S	.	.			trans	-82.5	130.4	-178.8	178.4	0	0	0	0	111.6	V139 L161 I165	V139-S163 PolarHBondContact O-OG 2.62Å; L161-S163 VanDerWaalsContact C-N 3.28Å; L161-S163 PolarHBondContact O-N 3.13Å; S163-I165 PolarHBondContact OG-N 3.07Å; S163-I165 PolarHBondContact OG-O 3.35Å
164	S	74.8	Confident	90.5	Very high	112 Å²	112	73.2 Å²	73.2	78%	0.783	43%	0.429	S	S	*	.			trans	-95.8	-15	173	54.6	0	0	0	0	113.4
165	I	93	Very high	90.5	Very high	82 Å²	82	73.5 Å²	73.5	42%	0.421	44%	0.436	S	S	.	.			trans	-93.7	126.2	-172.7	-54.7	174.7	0	0	0	109.3	P138 V139 S163 F296	P138-I165 WeakPolarHBondContact CA-O 3.42Å; V139-I165 HydrophobicContact CG2-CB 4.24Å; V139-I165 HydrophobicContact CG2-CG2 3.75Å; V139-I165 PolarHBondContact N-O 3.34Å; S163-I165 PolarHBondContact OG-N 3.07Å; S163-I165 PolarHBondContact OG-O 3.35Å; I165-F296 HydrophobicContact CD1-CE2 4.44Å
166	R	93.3	Very high	90.5	Very high	118 Å²	118	76.8 Å²	76.8	45%	0.445	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146.8	173.3	-57.3	-176.9	68.7	80.3	2.2	110.6	D136 V137	D136-R166 HydrophobicContact CB-CB 4.48Å; D136-R166 PolarHBondContact O-NH2 2.73Å; D136-R166 IonicContact OD1-CZ 3.6Å; D136-R166 IonicContact OD1-NE 3.59Å; D136-R166 PolarHBondContact OD1-NE 2.85Å; D136-R166 IonicContact OD1-NH2 2.78Å; D136-R166 PolarHBondContact OD1-NH2 3.37Å; D136-R166 WeakPolarHBondContact OD2-CB 3.45Å; D136-R166 IonicContact OD2-NE 3.51Å; D136-R166 PolarHBondContact OD2-NE 3.01Å; D136-R166 VanDerWaalsContact OD2-NE 3.09Å; V137-R166 CarbonylContact O-C 3.48Å; V137-R166 VanDerWaalsContact O-CA 3.29Å; V137-R166 WeakPolarHBondContact O-CA 3.31Å
167	R	94.6	Very high	90.6	Very high	60 Å²	60	81.9 Å²	81.9	23%	0.226	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142	173.2	-74.8	-172.7	-179.3	-162.4	-0.3	110.4	D136 V137 V139 D299	D136-R167 CarbonylContact C-O 3.54Å; D136-R167 VanDerWaalsContact CA-O 3.25Å; D136-R167 WeakPolarHBondContact CA-O 3.32Å; D136-R167 WeakPolarHBondContact CB-O 3.46Å; V137-R167 PolarHBondContact N-O 3.4Å; V137-R167 PolarHBondContact O-N 3.32Å; V139-R167 HydrophobicContact CG1-CB 4.01Å; V139-R167 HydrophobicContact CG1-CG 4.36Å; V139-R167 HydrophobicContact CG2-CB 4.21Å; V139-R167 HydrophobicContact CG2-CG 3.71Å; R167-D299 IonicContact CZ-OD2 2.94Å; R167-D299 IonicContact NH1-OD2 3.54Å; R167-D299 PolarHBondContact NH1-OD2 3.42Å
168	R	95.6	Very high	90.8	Very high	136 Å²	136	79.3 Å²	79.3	51%	0.513	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	140.7	175	-66.7	180	-176.1	174.2	-0.4	110.2	I134 V135 D136 L171 S292	I134-R168 HydrophobicContact CB-CG 4.45Å; V135-R168 WeakPolarHBondContact O-CA 3.34Å; D136-R168 HydrophobicContact CB-CG 4.49Å; R168-L171 HydrophobicContact CB-CD2 4.2Å; R168-L171 HydrophobicContact CB-CG 4.44Å; R168-L171 WeakPolarHBondContact O-CG 3.05Å; R168-S292 PolarHBondContact O-OG 3.31Å
169	V	94.1	Very high	91	Very high	9 Å²	9	75.9 Å²	75.9	6%	0.055	43%	0.431	C	S	.	.	S	Bend	trans	-75.1	-28	-179.1	-59.5	0	0	0	0	112.8	V135 V137 L285 S292 R348	V135-V169 HydrophobicContact CB-CG2 3.99Å; V135-V169 HydrophobicContact CG1-CG1 4.06Å; V135-V169 HydrophobicContact CG1-CG2 3.81Å; V135-V169 WeakPolarHBondContact O-CG2 3.25Å; V135-V169 PolarHBondContact O-N 3.19Å; V137-V169 HydrophobicContact CB-CG1 4.4Å; V137-V169 HydrophobicContact CG1-CG1 3.7Å; V137-V169 HydrophobicContact CG2-CG1 3.98Å; V169-L285 HydrophobicContact CB-CD1 4.26Å; V169-L285 HydrophobicContact CG1-CD1 4.28Å; V169-L285 HydrophobicContact CG2-CD1 3.78Å; V169-S292 WeakPolarHBondContact CA-OG 3.44Å; V169-S292 PolarHBondContact O-OG 3.42Å; V169-R348 PolarHBondContact O-NH1 2.86Å; V169-R348 PolarHBondContact O-NH2 3.21Å
170	G	88.4	Confident	91.3	Very high	41 Å²	41	77.9 Å²	77.9	42%	0.423	43%	0.431	S	S	.	.	S	Bend	trans	-99.2	46.6	-174.6	0	0	0	0	0	114.3
171	L	91.4	Very high	91.6	Very high	68 Å²	68	76 Å²	76	36%	0.356	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-74.5	146.8	177.3	-67.1	175.4	0	0	0	112.1	R168	R168-L171 HydrophobicContact CB-CD2 4.2Å; R168-L171 HydrophobicContact CB-CG 4.44Å; R168-L171 WeakPolarHBondContact O-CG 3.05Å
172	K	94	Very high	92	Very high	199 Å²	199	75.4 Å²	75.4	87%	0.865	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-67.5	136.3	174.5	-172.5	-179.4	177.8	178.2	0	110
173	A	95.4	Very high	92.7	Very high	23 Å²	23	81 Å²	81	19%	0.19	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-58.6	148.7	172.9	0	0	0	0	0	112.1	G175 E347 R348	A173-G175 PolarHBondContact O-N 3.26Å; A173-E347 HydrophobicContact CB-CB 3.91Å; A173-E347 WeakPolarHBondContact CB-O 3.47Å; A173-R348 HydrophobicContact CB-CG 3.95Å
174	P	95.6	Very high	93.7	Very high	17 Å²	17	83.1 Å²	83.1	11%	0.11	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-60.2	137.8	175	24.6	-31.8	0	0	0	110.1	R179 A350 M352	P174-R179 VanDerWaalsContact O-CZ 3.24Å; P174-R179 PolarHBondContact O-NE 3.32Å; P174-R179 PolarHBondContact O-NH2 3.33Å; P174-A350 HydrophobicContact CG-CB 3.98Å; P174-M352 HydrophobicContact CB-CE 4.07Å; P174-M352 HydrophobicContact CB-SD 4.05Å; P174-M352 HydrophobicContact CG-SD 4.14Å
175	G	94.9	Very high	94.7	Very high	42 Å²	42	79.7 Å²	79.7	43%	0.433	40%	0.401	S	S	.	.			trans	-68.3	-170	175.4	0	0	0	0	0	112.8	A173 P178 R179	A173-G175 PolarHBondContact O-N 3.26Å; G175-P178 WeakPolarHBondContact O-CD 3.49Å; G175-R179 WeakPolarHBondContact O-CD 3.39Å; G175-R179 VanDerWaalsContact O-CG 3.28Å; G175-R179 WeakPolarHBondContact O-CG 3.25Å; G175-R179 PolarHBondContact O-NE 2.97Å
176	I	95.4	Very high	94.9	Very high	159 Å²	159	76 Å²	76	82%	0.815	38%	0.382	S	S	*	.	S	Bend	trans	-70.3	-45	-179.9	-60.4	172.4	0	0	0	111.5	R179	I176-R179 PolarHBondContact O-N 3.24Å; I176-R179 VanDerWaalsContact O-N 3.11Å
177	I	96.2	Very high	95	Very high	149 Å²	149	71.3 Å²	71.3	76%	0.764	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-43.2	-174.1	-61.2	169.2	0	0	0	113.3	R179 N353	I177-R179 PolarHBondContact O-N 3.33Å; I177-N353 PolarHBondContact O-ND2 2.79Å
178	P	96.1	Very high	95.1	Very high	23 Å²	23	68.5 Å²	68.5	15%	0.149	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-12.7	178.3	-22.7	36.2	0	0	0	115.1	G175 M352 N353 F356	G175-P178 WeakPolarHBondContact O-CD 3.49Å; P178-M352 HydrophobicContact CB-CE 3.58Å; P178-M352 WeakPolarHBondContact O-CA 3.22Å; P178-N353 PolarHBondContact O-N 2.61Å; P178-F356 HydrophobicContact CB-CD1 4.37Å; P178-F356 HydrophobicContact CB-CD2 3.67Å; P178-F356 HydrophobicContact CB-CE1 4.44Å; P178-F356 HydrophobicContact CB-CE2 3.77Å; P178-F356 HydrophobicContact CB-CG 4Å; P178-F356 HydrophobicContact CB-CZ 4.17Å; P178-F356 HydrophobicContact CG-CD2 4.37Å; P178-F356 HydrophobicContact CG-CE1 4.45Å; P178-F356 HydrophobicContact CG-CE2 3.97Å; P178-F356 HydrophobicContact CG-CZ 4.02Å
179	R	97	Very high	95.2	Very high	68 Å²	68	62 Å²	62	26%	0.257	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-89.7	161.5	-176.5	-63.1	177.2	-167.8	-160	3.6	111.4	P174 G175 I176 I177 E347 A350 K351	P174-R179 VanDerWaalsContact O-CZ 3.24Å; P174-R179 PolarHBondContact O-NE 3.32Å; P174-R179 PolarHBondContact O-NH2 3.33Å; G175-R179 WeakPolarHBondContact O-CD 3.39Å; G175-R179 VanDerWaalsContact O-CG 3.28Å; G175-R179 WeakPolarHBondContact O-CG 3.25Å; G175-R179 PolarHBondContact O-NE 2.97Å; I176-R179 PolarHBondContact O-N 3.24Å; I176-R179 VanDerWaalsContact O-N 3.11Å; I177-R179 PolarHBondContact O-N 3.33Å; R179-E347 IonicContact CZ-OE2 2.87Å; R179-E347 IonicContact NH1-OE2 2.77Å; R179-E347 PolarHBondContact NH1-OE2 3.24Å; R179-E347 PolarHBondContact NH2-O 3.43Å; R179-E347 IonicContact NH2-OE2 3.09Å; R179-E347 PolarHBondContact NH2-OE2 3.29Å; R179-A350 HydrophobicContact CG-CB 4.06Å; R179-K351 VanDerWaalsContact CA-O 3.31Å; R179-K351 WeakPolarHBondContact CA-O 3.09Å
180	I	97.1	Very high	95.3	Very high	80 Å²	80	61.8 Å²	61.8	41%	0.41	33%	0.329	S	S	.	.			trans	-134	156.7	168.1	-169.2	167.9	0	0	0	109.9	K351 M352 N353	I180-K351 HydrophobicContact CG2-CB 4.22Å; I180-K351 HydrophobicContact CG2-CG 3.49Å; I180-K351 VanDerWaalsContact CG2-CG 3.49Å; I180-K351 PolarHBondContact N-O 2.85Å; I180-M352 WeakPolarHBondContact CG2-O 3.38Å; I180-N353 HydrophobicContact CB-CB 4.14Å
181	S	96.7	Very high	95.7	Very high	81 Å²	81	59.9 Å²	59.9	57%	0.566	31%	0.309	S	S	*	.			trans	-58.3	138.2	175	-52.4	0	0	0	0	111.9	R183	S181-R183 PolarHBondContact O-N 3.45Å
182	V	97	Very high	95.9	Very high	25 Å²	25	56.9 Å²	56.9	15%	0.152	29%	0.294	C	S	.	.			trans	-71.9	118.2	177.1	179.1	0	0	0	0	110	R201 K351 V414	V182-R201 WeakPolarHBondContact CG1-O 3.44Å; V182-K351 HydrophobicContact CG2-CB 4.32Å; V182-V414 HydrophobicContact CB-CG1 4.24Å; V182-V414 HydrophobicContact CG1-CG1 4.2Å
183	R	92.9	Very high	96	Very high	185 Å²	185	47.4 Å²	47.4	70%	0.698	25%	0.253	S	S	*	.			trans	-132.9	-4.4	-179.8	-62.7	179.9	179.9	173.8	0.8	113.9	S181 A417	S181-R183 PolarHBondContact O-N 3.45Å; R183-A417 CarbonylContact C-O 3.48Å; R183-A417 WeakPolarHBondContact CA-O 3.37Å
184	E	93.7	Very high	96.1	Very high	69 Å²	69	46.8 Å²	46.8	32%	0.322	25%	0.246	S	C	.	.	S	Bend	trans	-104.1	128.1	-177.2	-68.1	166.3	-152.3	0	0	109.2	G200 R201 H303 K351	E184-G200 CarbonylContact O-C 3.58Å; E184-G200 VanDerWaalsContact O-CA 3.26Å; E184-G200 WeakPolarHBondContact O-CA 3.04Å; E184-R201 HydrophobicContact CB-CB 4.12Å; E184-R201 HydrophobicContact CB-CG 4.15Å; E184-R201 PolarHBondContact O-N 3.03Å; E184-R201 WeakPolarHBondContact OE2-CD 3.33Å; E184-H303 IonicContact OE2-CE1 2.62Å; E184-H303 PolarHBondContact OE2-CE1 2.87Å; E184-K351 VanDerWaalsContact CD-CE 3.46Å; E184-K351 WeakPolarHBondContact OE1-CE 3.33Å; E184-K351 IonicContact OE1-NZ 2.81Å; E184-K351 PolarHBondContact OE1-NZ 3.24Å; E184-K351 WeakPolarHBondContact OE2-CE 3.45Å
185	P	96.1	Very high	96	Very high	40 Å²	40	46.2 Å²	46.2	26%	0.26	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-68.5	140.7	178.1	27	-33.6	0	0	0	111.6	R201 A418 T420	P185-R201 PolarHBondContact O-NE 2.82Å; P185-A418 WeakPolarHBondContact CA-O 3.49Å; P185-A418 VanDerWaalsContact CB-O 3.28Å; P185-A418 WeakPolarHBondContact CB-O 3.32Å; P185-T420 HydrophobicContact CG-CG2 4.12Å
186	M	96.8	Very high	96	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.015	22%	0.224	C	C	.	.			trans	-107.3	101.2	162.9	-170.5	-72.9	-66.2	0	0	107	T188 I199 R201 T222 L239 L305 T362 L364	M186-T188 HydrophobicContact CE-CG2 4.07Å; M186-I199 WeakPolarHBondContact CA-O 3.28Å; M186-I199 HydrophobicContact CB-CG2 4.41Å; M186-I199 HydrophobicContact CE-CB 3.85Å; M186-I199 HydrophobicContact CE-CD1 3.99Å; M186-I199 HydrophobicContact CE-CG2 3.52Å; M186-I199 PolarHBondContact N-O 3.41Å; M186-R201 HydrophobicContact CB-CG 4.12Å; M186-T222 HydrophobicContact CE-CG2 3.92Å; M186-T222 HydrophobicContact SD-CG2 3.75Å; M186-L239 HydrophobicContact CG-CD2 3.82Å; M186-L239 HydrophobicContact SD-CD2 4.18Å; M186-L305 HydrophobicContact CE-CD1 4.34Å; M186-L305 HydrophobicContact SD-CD2 4.45Å; M186-T362 HydrophobicContact CE-CG2 4.16Å; M186-T362 HydrophobicContact CG-CG2 4.38Å; M186-L364 HydrophobicContact CE-CD1 4.31Å
187	Q	96.2	Very high	96.1	Very high	21 Å²	21	37 Å²	37	10%	0.098	19%	0.185	C	C	.	.			trans	-78.3	127.2	-172.7	-63.4	-177.6	-3	0	0	110.6	N225 Q226 F229	Q187-N225 PolarHBondContact O-ND2 3.08Å; Q187-Q226 PolarHBondContact O-NE2 3.32Å; Q187-F229 VanDerWaalsContact OE1-CZ 3.27Å
188	T	97.4	Very high	96.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	15%	0.151	C	C	.	.			trans	-87	-22.9	176.3	64.6	0	0	0	0	112.8	M186 I190 V193 D194 I199 T222 N225	M186-T188 HydrophobicContact CE-CG2 4.07Å; T188-I190 PolarHBondContact OG1-N 3.39Å; T188-V193 HydrophobicContact CG2-CB 4.41Å; T188-V193 HydrophobicContact CG2-CG1 3.76Å; T188-D194 WeakPolarHBondContact CB-OD1 3.28Å; T188-D194 PolarHBondContact N-OD1 2.73Å; T188-D194 PolarHBondContact N-OD2 2.89Å; T188-D194 PolarHBondContact OG1-OD1 2.64Å; T188-D194 PolarHBondContact OG1-OD2 2.82Å; T188-I199 HydrophobicContact CG2-CD1 3.83Å; T188-T222 HydrophobicContact CG2-CG2 4.08Å; T188-N225 VanDerWaalsContact O-CB 3.26Å; T188-N225 WeakPolarHBondContact O-CB 3.38Å
189	G	96.2	Very high	96.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	79.8	5.1	-172.5	0	0	0	0	0	112.9	D194 N225 Q470 P475 M476	G189-D194 PolarHBondContact N-OD2 3.25Å; G189-N225 VanDerWaalsContact CA-CG 3.49Å; G189-N225 WeakPolarHBondContact CA-OD1 3.39Å; G189-N225 PolarHBondContact N-ND2 3.41Å; G189-Q470 PolarHBondContact O-NE2 2.73Å; G189-P475 WeakPolarHBondContact O-CA 3.35Å; G189-M476 WeakPolarHBondContact CA-O 3.39Å; G189-M476 PolarHBondContact O-N 3.49Å
190	I	97.6	Very high	96.2	Very high	4 Å²	4	26 Å²	26	2%	0.021	13%	0.132	C	C	.	.			trans	-107.1	113.9	-178.1	-58.4	169.3	0	0	0	107.7	T188 A192 V193 D194 I218 D221 P403	T188-I190 PolarHBondContact OG1-N 3.39Å; I190-A192 VanDerWaalsContact C-N 3.26Å; I190-A192 PolarHBondContact O-N 3.43Å; I190-A192 VanDerWaalsContact O-N 3.17Å; I190-V193 HydrophobicContact CB-CB 4.19Å; I190-V193 HydrophobicContact CB-CG2 4.07Å; I190-V193 HydrophobicContact CD1-CG2 4.42Å; I190-V193 HydrophobicContact CG2-CB 4.36Å; I190-V193 HydrophobicContact CG2-CG2 3.88Å; I190-V193 PolarHBondContact O-N 2.95Å; I190-D194 PolarHBondContact O-N 3Å; I190-I218 HydrophobicContact CD1-CB 4.08Å; I190-I218 HydrophobicContact CD1-CG1 4.13Å; I190-I218 HydrophobicContact CD1-CG2 3.78Å; I190-D221 HydrophobicContact CD1-CB 4.05Å; I190-D221 HydrophobicContact CG1-CB 4.25Å; I190-P403 HydrophobicContact CG2-CG 3.75Å
191	K	95.8	Very high	96.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-48.2	-49.4	-177	-70.9	176.2	-65	179.7	0	111.9	V193 S195 L467 L468 K469 M476 Q481 V484 E505	K191-V193 VanDerWaalsContact C-N 3.32Å; K191-V193 PolarHBondContact O-N 3.28Å; K191-S195 VanDerWaalsContact O-CB 3.22Å; K191-S195 WeakPolarHBondContact O-CB 3.39Å; K191-S195 PolarHBondContact O-N 3Å; K191-S195 VanDerWaalsContact O-N 3.07Å; K191-S195 PolarHBondContact O-OG 2.91Å; K191-L467 WeakPolarHBondContact CE-O 3.44Å; K191-L467 PolarHBondContact NZ-O 3.42Å; K191-L468 HydrophobicContact CB-CD2 4.17Å; K191-K469 WeakPolarHBondContact CE-O 3.18Å; K191-K469 PolarHBondContact NZ-O 3.22Å; K191-M476 HydrophobicContact CD-CE 3.92Å; K191-M476 HydrophobicContact CD-SD 4Å; K191-M476 HydrophobicContact CG-CE 4.39Å; K191-M476 HydrophobicContact CG-SD 4.04Å; K191-Q481 HydrophobicContact CG-CB 4.33Å; K191-Q481 HydrophobicContact CG-CG 3.84Å; K191-V484 HydrophobicContact CD-CG1 4.29Å; K191-E505 IonicContact NZ-OE1 2.91Å; K191-E505 PolarHBondContact NZ-OE1 3.18Å; K191-E505 IonicContact NZ-OE2 3.26Å; K191-E505 PolarHBondContact NZ-OE2 3.1Å
192	A	95.4	Very high	96.2	Very high	5 Å²	5	19.7 Å²	19.7	4%	0.041	9%	0.092	C	C	.	.	H	α-helix	trans	-65.9	-31.6	-176.6	0	0	0	0	0	113.4	I190 L196 P403 I405 L468	I190-A192 VanDerWaalsContact C-N 3.26Å; I190-A192 PolarHBondContact O-N 3.43Å; I190-A192 VanDerWaalsContact O-N 3.17Å; A192-L196 VanDerWaalsContact O-CB 3.25Å; A192-L196 WeakPolarHBondContact O-CB 3.21Å; A192-L196 WeakPolarHBondContact O-CG 3.49Å; A192-L196 PolarHBondContact O-N 3.38Å; A192-P403 HydrophobicContact CB-CG 4.06Å; A192-I405 HydrophobicContact CB-CD1 3.84Å; A192-L468 HydrophobicContact CB-CB 4.44Å; A192-L468 HydrophobicContact CB-CD2 4.22Å
193	V	96.8	Very high	96.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-80.6	-55.1	177.7	179.6	0	0	0	0	109.9	T188 I190 K191 S195 L196 V197 I199 I390 I405	T188-V193 HydrophobicContact CG2-CB 4.41Å; T188-V193 HydrophobicContact CG2-CG1 3.76Å; I190-V193 HydrophobicContact CB-CB 4.19Å; I190-V193 HydrophobicContact CB-CG2 4.07Å; I190-V193 HydrophobicContact CD1-CG2 4.42Å; I190-V193 HydrophobicContact CG2-CB 4.36Å; I190-V193 HydrophobicContact CG2-CG2 3.88Å; I190-V193 PolarHBondContact O-N 2.95Å; K191-V193 VanDerWaalsContact C-N 3.32Å; K191-V193 PolarHBondContact O-N 3.28Å; V193-S195 PolarHBondContact O-N 2.78Å; V193-S195 VanDerWaalsContact O-N 3.16Å; V193-L196 PolarHBondContact O-N 2.81Å; V193-V197 WeakPolarHBondContact CG1-O 3.17Å; V193-V197 CarbonylContact O-C 3.55Å; V193-V197 WeakPolarHBondContact O-CA 3.5Å; V193-V197 PolarHBondContact O-N 3.26Å; V193-V197 VanDerWaalsContact O-O 3.04Å; V193-I199 HydrophobicContact CG1-CD1 3.85Å; V193-I199 HydrophobicContact CG1-CG1 4.26Å; V193-I390 HydrophobicContact CG1-CD1 3.78Å; V193-I390 HydrophobicContact CG2-CD1 4.1Å; V193-I405 HydrophobicContact CG2-CD1 3.54Å
194	D	96.8	Very high	96.6	Very high	10 Å²	10	10.7 Å²	10.7	5%	0.053	6%	0.056	C	C	.	.	H	α-helix	trans	-63.3	-27.8	-173.7	-67.5	-19.4	0	0	0	112.7	T188 G189 I190 Q419 Q481	T188-D194 WeakPolarHBondContact CB-OD1 3.28Å; T188-D194 PolarHBondContact N-OD1 2.73Å; T188-D194 PolarHBondContact N-OD2 2.89Å; T188-D194 PolarHBondContact OG1-OD1 2.64Å; T188-D194 PolarHBondContact OG1-OD2 2.82Å; G189-D194 PolarHBondContact N-OD2 3.25Å; I190-D194 PolarHBondContact O-N 3Å; D194-Q419 PolarHBondContact O-NE2 3.32Å; D194-Q481 PolarHBondContact OD2-NE2 2.97Å; D194-Q481 PolarHBondContact OD2-OE1 3.13Å
195	S	95.1	Very high	96.8	Very high	6 Å²	6	7.4 Å²	7.4	4%	0.042	4%	0.04	C	C	.	.	H	α-helix	trans	-88.4	-44.6	177	66	0	0	0	0	114.5	K191 V193 Q419	K191-S195 VanDerWaalsContact O-CB 3.22Å; K191-S195 WeakPolarHBondContact O-CB 3.39Å; K191-S195 PolarHBondContact O-N 3Å; K191-S195 VanDerWaalsContact O-N 3.07Å; K191-S195 PolarHBondContact O-OG 2.91Å; V193-S195 PolarHBondContact O-N 2.78Å; V193-S195 VanDerWaalsContact O-N 3.16Å; S195-Q419 PolarHBondContact O-NE2 2.92Å
196	L	94.4	Very high	96.9	Very high	7 Å²	7	5.5 Å²	5.5	4%	0.037	3%	0.028	C	C	.	.	H	α-helix	trans	-98.1	-33.4	-170.9	-53.3	177.1	0	0	0	113.9	A192 V193 V407 M430 K431 L434 L468	A192-L196 VanDerWaalsContact O-CB 3.25Å; A192-L196 WeakPolarHBondContact O-CB 3.21Å; A192-L196 WeakPolarHBondContact O-CG 3.49Å; A192-L196 PolarHBondContact O-N 3.38Å; V193-L196 PolarHBondContact O-N 2.81Å; L196-V407 HydrophobicContact CD1-CB 4.45Å; L196-V407 HydrophobicContact CD1-CG1 4.05Å; L196-V407 HydrophobicContact CD1-CG2 3.71Å; L196-M430 HydrophobicContact CD2-CB 4.4Å; L196-M430 HydrophobicContact CD2-CG 4.07Å; L196-M430 HydrophobicContact CD2-SD 4.15Å; L196-K431 HydrophobicContact CD2-CB 4.14Å; L196-L434 HydrophobicContact CD1-CD1 4.13Å; L196-L434 HydrophobicContact CD2-CD1 4.06Å; L196-L468 HydrophobicContact CD1-CD1 3.74Å; L196-L468 HydrophobicContact CG-CD1 4.49Å
197	V	96.2	Very high	97	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.	S	Bend	trans	-137.2	63.5	-172.9	-163.4	0	0	0	0	108.6	V193 E205 I390	V193-V197 WeakPolarHBondContact CG1-O 3.17Å; V193-V197 CarbonylContact O-C 3.55Å; V193-V197 WeakPolarHBondContact O-CA 3.5Å; V193-V197 PolarHBondContact O-N 3.26Å; V193-V197 VanDerWaalsContact O-O 3.04Å; V197-E205 WeakPolarHBondContact CG1-OE1 3.26Å; V197-I390 HydrophobicContact CB-CG1 4.35Å; V197-I390 HydrophobicContact CG1-CG1 3.97Å
198	P	96.1	Very high	97.1	Very high	6 Å²	6	4.4 Å²	4.4	4%	0.039	2%	0.023	C	C	.	.			trans	-64.5	144.4	-173.4	29.2	-38.1	0	0	0	111.3	S412 G415 A418 Q419	P198-S412 WeakPolarHBondContact O-CB 3.37Å; P198-S412 PolarHBondContact O-OG 2.81Å; P198-G415 WeakPolarHBondContact CG-O 3.17Å; P198-A418 HydrophobicContact CB-CB 4.34Å; P198-Q419 HydrophobicContact CB-CG 3.37Å; P198-Q419 HydrophobicContact CG-CG 3.64Å
199	I	98.3	Very high	97	Very high	4 Å²	4	4.3 Å²	4.3	2%	0.021	2%	0.022	C	C	.	.			trans	-114.4	132.2	-179.3	-55.4	168.9	0	0	0	108.8	M186 T188 V193 Q203 E205 T362 L364 I390	M186-I199 WeakPolarHBondContact CA-O 3.28Å; M186-I199 HydrophobicContact CB-CG2 4.41Å; M186-I199 HydrophobicContact CE-CB 3.85Å; M186-I199 HydrophobicContact CE-CD1 3.99Å; M186-I199 HydrophobicContact CE-CG2 3.52Å; M186-I199 PolarHBondContact N-O 3.41Å; T188-I199 HydrophobicContact CG2-CD1 3.83Å; V193-I199 HydrophobicContact CG1-CD1 3.85Å; V193-I199 HydrophobicContact CG1-CG1 4.26Å; I199-Q203 HydrophobicContact CG2-CB 4.38Å; I199-E205 HydrophobicContact CD1-CB 4.06Å; I199-E205 HydrophobicContact CD1-CG 4.02Å; I199-E205 HydrophobicContact CG1-CB 3.96Å; I199-E205 HydrophobicContact CG1-CG 3.85Å; I199-E205 HydrophobicContact CG2-CB 4.26Å; I199-T362 HydrophobicContact CG2-CG2 3.88Å; I199-L364 HydrophobicContact CD1-CD2 3.84Å; I199-L364 HydrophobicContact CG2-CD2 4.37Å; I199-I390 HydrophobicContact CD1-CD1 4.09Å
200	G	97.8	Very high	97	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.03	C	C	.	.	B	Isolated β-bridge	trans	-101.5	163.5	177.3	0	0	0	0	0	114.2	E184 G202 Q203 T362	E184-G200 CarbonylContact O-C 3.58Å; E184-G200 VanDerWaalsContact O-CA 3.26Å; E184-G200 WeakPolarHBondContact O-CA 3.04Å; G200-G202 PolarHBondContact O-N 3.24Å; G200-Q203 VanDerWaalsContact O-CB 3.28Å; G200-Q203 WeakPolarHBondContact O-CB 3.48Å; G200-Q203 PolarHBondContact O-N 2.81Å; G200-Q203 VanDerWaalsContact O-N 3.16Å; G200-T362 PolarHBondContact O-OG1 3.19Å
201	R	97.7	Very high	96.7	Very high	22 Å²	22	13 Å²	13	8%	0.083	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	117	174	-67.4	-175.1	178.7	-157.9	-8.4	110.7	V182 E184 P185 M186 K236 K237 H303 T362	V182-R201 WeakPolarHBondContact CG1-O 3.44Å; E184-R201 HydrophobicContact CB-CB 4.12Å; E184-R201 HydrophobicContact CB-CG 4.15Å; E184-R201 PolarHBondContact O-N 3.03Å; E184-R201 WeakPolarHBondContact OE2-CD 3.33Å; P185-R201 PolarHBondContact O-NE 2.82Å; M186-R201 HydrophobicContact CB-CG 4.12Å; R201-K236 PolarHBondContact NH1-O 2.72Å; R201-K237 PolarHBondContact NH2-O 3.27Å; R201-H303 PolarHBondContact NH1-CD2 2.93Å; R201-H303 PolarHBondContact NH1-NE2 3.33Å; R201-T362 VanDerWaalsContact CA-OG1 3.28Å; R201-T362 WeakPolarHBondContact CA-OG1 3.49Å
202	G	97	Very high	96.4	Very high	5 Å²	5	21.2 Å²	21.2	5%	0.052	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	2.2	-172.5	0	0	0	0	0	115.1	G200 L361 T362	G200-G202 PolarHBondContact O-N 3.24Å; G202-L361 WeakPolarHBondContact CA-O 3.25Å; G202-T362 PolarHBondContact N-OG1 3.41Å
203	Q	98.1	Very high	96.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	9%	0.094	C	C	.	.			trans	-82.5	156.1	175.9	-175.9	171.9	-12.5	0	0	111.7	I199 G200 E205 T362 A363 D387 S412 V414	I199-Q203 HydrophobicContact CG2-CB 4.38Å; G200-Q203 VanDerWaalsContact O-CB 3.28Å; G200-Q203 WeakPolarHBondContact O-CB 3.48Å; G200-Q203 PolarHBondContact O-N 2.81Å; G200-Q203 VanDerWaalsContact O-N 3.16Å; Q203-E205 PolarHBondContact NE2-OE2 3.42Å; Q203-T362 WeakPolarHBondContact O-CA 3.39Å; Q203-T362 WeakPolarHBondContact O-CG2 3.43Å; Q203-A363 PolarHBondContact O-N 3.11Å; Q203-D387 HydrophobicContact CG-CB 3.78Å; Q203-S412 PolarHBondContact NE2-OG 3.25Å; Q203-V414 HydrophobicContact CB-CG2 4.48Å; Q203-V414 VanDerWaalsContact CD-CG2 3.47Å; Q203-V414 HydrophobicContact CG-CG2 3.92Å
204	R	98.4	Very high	96.1	Very high	22 Å²	22	22.1 Å²	22.1	8%	0.083	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-110.8	109.5	170	-59.3	152.6	-61.3	179.4	2.9	109.5	L346 E347 A349 A363 T386 D387 G388	R204-L346 WeakPolarHBondContact CD-O 3.41Å; R204-E347 IonicContact CZ-OE1 2.75Å; R204-E347 IonicContact NH1-OE1 2.98Å; R204-E347 PolarHBondContact NH1-OE1 2.98Å; R204-E347 IonicContact NH1-OE2 3.52Å; R204-E347 PolarHBondContact NH1-OE2 3.01Å; R204-E347 IonicContact NH2-OE1 3.61Å; R204-A349 HydrophobicContact CG-CB 3.88Å; R204-A363 CarbonylContact C-O 3.48Å; R204-A363 WeakPolarHBondContact CA-O 3.41Å; R204-A363 HydrophobicContact CG-CB 4.15Å; R204-T386 HydrophobicContact CB-CG2 4.02Å; R204-T386 WeakPolarHBondContact O-CB 3.4Å; R204-D387 WeakPolarHBondContact CB-OD2 3.24Å; R204-D387 IonicContact CZ-OD1 3.34Å; R204-D387 IonicContact CZ-OD2 3.59Å; R204-D387 PolarHBondContact N-OD2 3.11Å; R204-D387 IonicContact NE-OD1 2.69Å; R204-D387 IonicContact NE-OD2 3.19Å; R204-D387 PolarHBondContact NE-OD2 2.99Å; R204-D387 IonicContact NH2-OD1 2.81Å; R204-D387 PolarHBondContact NH2-OD1 2.85Å; R204-D387 IonicContact NH2-OD2 3.45Å; R204-D387 PolarHBondContact NH2-OD2 2.96Å; R204-D387 WeakPolarHBondContact O-CA 3.25Å; R204-D387 WeakPolarHBondContact O-CB 3.46Å; R204-D387 PolarHBondContact O-N 2.82Å; R204-G388 PolarHBondContact O-N 2.88Å
205	E	98.4	Very high	96	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	112.7	-178.4	-165.6	71.3	-166.5	0	0	110.6	V197 I199 Q203 A363 L364 P365 G388 Q389 I390 V411	V197-E205 WeakPolarHBondContact CG1-OE1 3.26Å; I199-E205 HydrophobicContact CD1-CB 4.06Å; I199-E205 HydrophobicContact CD1-CG 4.02Å; I199-E205 HydrophobicContact CG1-CB 3.96Å; I199-E205 HydrophobicContact CG1-CG 3.85Å; I199-E205 HydrophobicContact CG2-CB 4.26Å; Q203-E205 PolarHBondContact NE2-OE2 3.42Å; E205-A363 PolarHBondContact N-O 3.34Å; E205-L364 HydrophobicContact CB-CD2 3.78Å; E205-L364 WeakPolarHBondContact O-CA 2.94Å; E205-P365 WeakPolarHBondContact O-CD 3.5Å; E205-G388 VanDerWaalsContact OE1-C 3.28Å; E205-G388 VanDerWaalsContact OE2-CA 3.27Å; E205-G388 WeakPolarHBondContact OE2-CA 3.39Å; E205-Q389 PolarHBondContact OE1-N 3.41Å; E205-I390 HydrophobicContact CG-CD1 4.05Å; E205-I390 HydrophobicContact CG-CG1 4.05Å; E205-V411 VanDerWaalsContact OE1-O 3.08Å
206	L	98.6	Very high	96.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	130.2	-177.5	169.2	64.4	0	0	0	111.5	I208 P365 I367 V382 I383 T386 G388 Q389 I390	L206-I208 HydrophobicContact CD1-CB 4.33Å; L206-I208 HydrophobicContact CD2-CB 4.05Å; L206-I208 HydrophobicContact CD2-CD1 4.32Å; L206-I208 HydrophobicContact CD2-CG2 4.08Å; L206-I208 HydrophobicContact CG-CB 3.92Å; L206-I208 HydrophobicContact CG-CG2 4.06Å; L206-P365 HydrophobicContact CB-CG 4.38Å; L206-P365 HydrophobicContact CD1-CB 4.4Å; L206-P365 HydrophobicContact CD1-CG 4.24Å; L206-P365 WeakPolarHBondContact CD1-O 3.13Å; L206-I367 HydrophobicContact CD1-CB 3.88Å; L206-I367 HydrophobicContact CD1-CG1 3.59Å; L206-V382 HydrophobicContact CD1-CG1 3.79Å; L206-V382 HydrophobicContact CD2-CB 4.47Å; L206-V382 HydrophobicContact CD2-CG1 4.11Å; L206-V382 HydrophobicContact CG-CG1 4.43Å; L206-I383 HydrophobicContact CD2-CG1 3.62Å; L206-T386 HydrophobicContact CB-CG2 4.34Å; L206-T386 VanDerWaalsContact CB-OG1 3.23Å; L206-T386 WeakPolarHBondContact CB-OG1 3.23Å; L206-G388 WeakPolarHBondContact CB-O 3.43Å; L206-G388 PolarHBondContact N-O 3.11Å; L206-Q389 HydrophobicContact CB-CB 4.04Å; L206-Q389 HydrophobicContact CD2-CB 4.22Å; L206-Q389 HydrophobicContact CG-CB 4.31Å; L206-Q389 CarbonylContact O-C 3.49Å; L206-Q389 WeakPolarHBondContact O-CA 3.33Å; L206-I390 PolarHBondContact O-N 2.85Å
207	I	98.6	Very high	96.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	110.5	167.2	-55.9	173.4	0	0	0	107.9	K215 I218 L364 P365 V366 I367 I390 L392	I207-K215 HydrophobicContact CG2-CB 3.82Å; I207-K215 HydrophobicContact CG2-CD 4.48Å; I207-K215 HydrophobicContact CG2-CG 3.94Å; I207-I218 HydrophobicContact CD1-CB 4.42Å; I207-I218 HydrophobicContact CD1-CG2 3.91Å; I207-L364 HydrophobicContact CD1-CB 4.33Å; I207-P365 PolarHBondContact N-O 2.91Å; I207-V366 HydrophobicContact CB-CG2 4.39Å; I207-V366 CarbonylContact O-C 3.58Å; I207-V366 VanDerWaalsContact O-CA 3.3Å; I207-V366 WeakPolarHBondContact O-CA 3.45Å; I207-I367 PolarHBondContact O-N 3.18Å; I207-I390 HydrophobicContact CG1-CD1 4.49Å; I207-L392 HydrophobicContact CG2-CD1 4.37Å
208	I	97.8	Very high	96.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141	-173.2	179	167.8	0	0	0	110.8	L206 I367 T369 V374 P379 I383 Q389 I390 F391 L392	L206-I208 HydrophobicContact CD1-CB 4.33Å; L206-I208 HydrophobicContact CD2-CB 4.05Å; L206-I208 HydrophobicContact CD2-CD1 4.32Å; L206-I208 HydrophobicContact CD2-CG2 4.08Å; L206-I208 HydrophobicContact CG-CB 3.92Å; L206-I208 HydrophobicContact CG-CG2 4.06Å; I208-I367 WeakPolarHBondContact CA-O 3.45Å; I208-I367 HydrophobicContact CB-CB 4.48Å; I208-I367 HydrophobicContact CD1-CG2 4.05Å; I208-I367 HydrophobicContact CG1-CB 4.35Å; I208-I367 HydrophobicContact CG1-CG2 4.13Å; I208-T369 HydrophobicContact CD1-CG2 3.68Å; I208-T369 HydrophobicContact CG1-CG2 3.59Å; I208-V374 HydrophobicContact CD1-CG1 4.4Å; I208-P379 HydrophobicContact CD1-CB 3.85Å; I208-P379 HydrophobicContact CD1-CG 4.5Å; I208-I383 HydrophobicContact CD1-CD1 4.3Å; I208-Q389 HydrophobicContact CG2-CB 4.16Å; I208-I390 PolarHBondContact N-O 3.05Å; I208-F391 HydrophobicContact CG1-CD2 4.39Å; I208-F391 HydrophobicContact CG1-CE2 4.33Å; I208-F391 HydrophobicContact CG2-CB 4.41Å; I208-F391 HydrophobicContact CG2-CD2 3.68Å; I208-F391 HydrophobicContact CG2-CE2 4.44Å; I208-F391 CarbonylContact O-C 3.59Å; I208-F391 WeakPolarHBondContact O-CA 3.42Å; I208-L392 PolarHBondContact O-N 3.12Å
209	G	96.8	Very high	96.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.2	178.4	173.8	0	0	0	0	0	112.2	K215 I367 T369 L392	G209-K215 PolarHBondContact O-NZ 2.88Å; G209-I367 PolarHBondContact N-O 2.82Å; G209-T369 WeakPolarHBondContact CA-OG1 3.44Å; G209-T369 PolarHBondContact O-N 2.89Å; G209-T369 PolarHBondContact O-OG1 3.39Å; G209-L392 WeakPolarHBondContact CA-O 3.47Å
210	D	94.8	Very high	96.2	Very high	29 Å²	29	24.4 Å²	24.4	16%	0.155	12%	0.119	C	C	.	.			trans	-70.8	171.6	-174.9	-74.5	-18.5	0	0	0	112.8	Q212 T213 K215 T369 A371 G372 T394	D210-Q212 PolarHBondContact O-N 2.79Å; D210-T213 HydrophobicContact CB-CG2 3.9Å; D210-T213 WeakPolarHBondContact O-CG2 3.4Å; D210-T213 PolarHBondContact O-OG1 2.85Å; D210-K215 VanDerWaalsContact C-NZ 3.34Å; D210-K215 PolarHBondContact O-NZ 2.81Å; D210-T369 PolarHBondContact N-OG1 2.79Å; D210-T369 VanDerWaalsContact N-OG1 3.14Å; D210-T369 WeakPolarHBondContact OD1-CB 3.4Å; D210-T369 PolarHBondContact OD1-OG1 2.88Å; D210-A371 PolarHBondContact OD1-N 2.62Å; D210-G372 VanDerWaalsContact CG-N 3.3Å; D210-G372 WeakPolarHBondContact OD1-CA 3.31Å; D210-G372 PolarHBondContact OD1-N 2.68Å; D210-G372 PolarHBondContact OD2-N 3.14Å; D210-G372 VanDerWaalsContact OD2-N 3.12Å; D210-T394 WeakPolarHBondContact CB-OG1 3.49Å; D210-T394 PolarHBondContact OD2-OG1 2.75Å
211	R	91.7	Very high	96.2	Very high	158 Å²	158	24.9 Å²	24.9	60%	0.596	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	140.4	171.4	-72.3	-179.9	179.2	164.6	10.3	110.8	T213 E368	R211-T213 PolarHBondContact O-N 3.14Å; R211-E368 VanDerWaalsContact CG-CD 3.43Å; R211-E368 HydrophobicContact CG-CG 4.11Å; R211-E368 VanDerWaalsContact CG-OE2 3.23Å; R211-E368 WeakPolarHBondContact CG-OE2 3.11Å; R211-E368 IonicContact CZ-OE1 2.66Å; R211-E368 VanDerWaalsContact CZ-OE1 3.26Å; R211-E368 IonicContact NE-OE1 3.67Å; R211-E368 PolarHBondContact NE-OE1 2.9Å; R211-E368 IonicContact NE-OE2 3.57Å; R211-E368 PolarHBondContact NE-OE2 3.3Å; R211-E368 IonicContact NH2-OE1 2.85Å; R211-E368 PolarHBondContact NH2-OE1 3.34Å
212	Q	89.1	Confident	96.3	Very high	171 Å²	171	23.9 Å²	23.9	80%	0.799	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	20.8	172.4	-55.6	179.8	-9.3	0	0	116.2	D210	D210-Q212 PolarHBondContact O-N 2.79Å
213	T	92.3	Very high	96.3	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.025	12%	0.115	C	C	.	.	S	Bend	trans	-85.6	-1.7	177.9	53.3	0	0	0	0	115.1	D210 R211 T394	D210-T213 HydrophobicContact CB-CG2 3.9Å; D210-T213 WeakPolarHBondContact O-CG2 3.4Å; D210-T213 PolarHBondContact O-OG1 2.85Å; R211-T213 PolarHBondContact O-N 3.14Å; T213-T394 WeakPolarHBondContact CG2-OG1 3.37Å
214	G	93.3	Very high	96.3	Very high	21 Å²	21	24.8 Å²	24.8	22%	0.216	12%	0.121	C	C	.	.	S	Bend	trans	99.4	12.1	178.5	0	0	0	0	0	116	T216 A217 I218	G214-T216 PolarHBondContact O-N 2.88Å; G214-A217 WeakPolarHBondContact O-CB 3.1Å; G214-A217 PolarHBondContact O-N 2.7Å; G214-I218 PolarHBondContact O-N 3.43Å; G214-I218 VanDerWaalsContact O-N 3.17Å
215	K	96.3	Very high	96.3	Very high	15 Å²	15	23.8 Å²	23.8	7%	0.065	12%	0.117	C	C	.	.	H	α-helix	trans	-49.8	-55.3	179	-59.2	-171.6	-62.8	-89.6	0	113.4	I207 G209 D210 A217 I218 A219 V366 I367 L392	I207-K215 HydrophobicContact CG2-CB 3.82Å; I207-K215 HydrophobicContact CG2-CD 4.48Å; I207-K215 HydrophobicContact CG2-CG 3.94Å; G209-K215 PolarHBondContact O-NZ 2.88Å; D210-K215 VanDerWaalsContact C-NZ 3.34Å; D210-K215 PolarHBondContact O-NZ 2.81Å; K215-A217 VanDerWaalsContact C-N 3.26Å; K215-A217 PolarHBondContact O-N 2.94Å; K215-I218 PolarHBondContact O-N 3.03Å; K215-A219 PolarHBondContact O-N 3.36Å; K215-V366 HydrophobicContact CB-CG1 3.91Å; K215-V366 HydrophobicContact CD-CG1 3.72Å; K215-V366 HydrophobicContact CG-CG1 4.4Å; K215-I367 WeakPolarHBondContact CD-O 3.44Å; K215-L392 HydrophobicContact CB-CD1 4.25Å; K215-L392 HydrophobicContact CG-CD1 3.66Å
216	T	95.9	Very high	96.2	Very high	44 Å²	44	23.9 Å²	23.9	27%	0.27	12%	0.118	S	C	.	.	H	α-helix	trans	-65.7	-28.3	179.3	-48.7	0	0	0	0	112.4	G214 A219 I220 L256 D309	G214-T216 PolarHBondContact O-N 2.88Å; T216-A219 PolarHBondContact O-N 3.18Å; T216-I220 HydrophobicContact CG2-CD1 3.86Å; T216-I220 HydrophobicContact CG2-CG1 4.27Å; T216-I220 VanDerWaalsContact O-CG1 3.27Å; T216-I220 WeakPolarHBondContact O-CG1 3.38Å; T216-I220 PolarHBondContact O-N 2.69Å; T216-L256 HydrophobicContact CG2-CD1 4.13Å; T216-D309 WeakPolarHBondContact CB-OD2 3.45Å; T216-D309 WeakPolarHBondContact CG2-OD2 3.38Å; T216-D309 PolarHBondContact OG1-OD2 2.84Å
217	A	96.1	Very high	96.1	Very high	12 Å²	12	26.9 Å²	26.9	10%	0.099	13%	0.131	C	C	.	.	H	α-helix	trans	-66.8	-43.7	177	0	0	0	0	0	111.3	G214 K215 A219 I220 D221 Q472	G214-A217 WeakPolarHBondContact O-CB 3.1Å; G214-A217 PolarHBondContact O-N 2.7Å; K215-A217 VanDerWaalsContact C-N 3.26Å; K215-A217 PolarHBondContact O-N 2.94Å; A217-A219 VanDerWaalsContact C-N 3.29Å; A217-A219 PolarHBondContact O-N 3.11Å; A217-I220 PolarHBondContact O-N 3.26Å; A217-D221 WeakPolarHBondContact O-CB 3.15Å; A217-D221 PolarHBondContact O-N 3.14Å; A217-Q472 HydrophobicContact CB-CG 4.16Å
218	I	97.4	Very high	95.8	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.031	15%	0.147	C	C	.	.	H	α-helix	trans	-57.1	-45	174.2	-66.7	179.6	0	0	0	110.8	I190 I207 G214 K215 T222 I390 L392 P403 I405	I190-I218 HydrophobicContact CD1-CB 4.08Å; I190-I218 HydrophobicContact CD1-CG1 4.13Å; I190-I218 HydrophobicContact CD1-CG2 3.78Å; I207-I218 HydrophobicContact CD1-CB 4.42Å; I207-I218 HydrophobicContact CD1-CG2 3.91Å; G214-I218 PolarHBondContact O-N 3.43Å; G214-I218 VanDerWaalsContact O-N 3.17Å; K215-I218 PolarHBondContact O-N 3.03Å; I218-T222 WeakPolarHBondContact O-CB 3.31Å; I218-T222 PolarHBondContact O-N 2.86Å; I218-T222 PolarHBondContact O-OG1 3.26Å; I218-I390 HydrophobicContact CD1-CG2 4.36Å; I218-L392 HydrophobicContact CD1-CD1 3.9Å; I218-L392 HydrophobicContact CD1-CD2 3.72Å; I218-L392 HydrophobicContact CD1-CG 4.34Å; I218-P403 HydrophobicContact CD1-CB 4.29Å; I218-P403 HydrophobicContact CG1-CB 4.45Å; I218-I405 HydrophobicContact CD1-CD1 4.49Å
219	A	97.3	Very high	95.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.7	-45.5	179.1	0	0	0	0	0	112.7	K215 T216 A217 T222 I223 I307	K215-A219 PolarHBondContact O-N 3.36Å; T216-A219 PolarHBondContact O-N 3.18Å; A217-A219 VanDerWaalsContact C-N 3.29Å; A217-A219 PolarHBondContact O-N 3.11Å; A219-T222 WeakPolarHBondContact O-CB 3.35Å; A219-T222 PolarHBondContact O-N 2.94Å; A219-I223 WeakPolarHBondContact O-CG1 3.26Å; A219-I223 PolarHBondContact O-N 2.96Å; A219-I223 VanDerWaalsContact O-N 3.15Å; A219-I307 HydrophobicContact CB-CD1 3.9Å; A219-I307 HydrophobicContact CB-CG1 4.21Å; A219-I307 HydrophobicContact CB-CG2 3.84Å
220	I	97.7	Very high	95.5	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-66.2	-44.6	178.5	-66.5	166.6	0	0	0	110.9	T216 A217 T222 I223 I224 L256 L260 Y473	T216-I220 HydrophobicContact CG2-CD1 3.86Å; T216-I220 HydrophobicContact CG2-CG1 4.27Å; T216-I220 VanDerWaalsContact O-CG1 3.27Å; T216-I220 WeakPolarHBondContact O-CG1 3.38Å; T216-I220 PolarHBondContact O-N 2.69Å; A217-I220 PolarHBondContact O-N 3.26Å; I220-T222 PolarHBondContact O-N 2.79Å; I220-I223 WeakPolarHBondContact O-CB 3.47Å; I220-I223 PolarHBondContact O-N 2.88Å; I220-I224 HydrophobicContact CG2-CD1 3.69Å; I220-I224 HydrophobicContact CG2-CG1 4.18Å; I220-I224 WeakPolarHBondContact O-CG1 3.43Å; I220-I224 PolarHBondContact O-N 3.44Å; I220-L256 HydrophobicContact CD1-CD1 3.84Å; I220-L256 HydrophobicContact CD1-CG 4.02Å; I220-L256 HydrophobicContact CG1-CD1 4.04Å; I220-L256 HydrophobicContact CG1-CG 4.28Å; I220-L260 HydrophobicContact CG2-CD2 4.03Å; I220-Y473 HydrophobicContact CB-CE1 4.05Å; I220-Y473 HydrophobicContact CD1-CE1 4.37Å; I220-Y473 HydrophobicContact CG2-CD1 3.97Å; I220-Y473 HydrophobicContact CG2-CE1 3.57Å
221	D	97.6	Very high	95.4	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.053	17%	0.174	C	C	.	.	H	α-helix	trans	-59.9	-39.4	178	-75.2	-13.1	0	0	0	111	I190 A217 I223 I224 N225 Y473	I190-D221 HydrophobicContact CD1-CB 4.05Å; I190-D221 HydrophobicContact CG1-CB 4.25Å; A217-D221 WeakPolarHBondContact O-CB 3.15Å; A217-D221 PolarHBondContact O-N 3.14Å; D221-I223 VanDerWaalsContact C-N 3.34Å; D221-I223 PolarHBondContact O-N 2.82Å; D221-I224 PolarHBondContact O-N 2.91Å; D221-N225 VanDerWaalsContact O-CB 3.28Å; D221-N225 WeakPolarHBondContact O-CB 3.16Å; D221-N225 PolarHBondContact O-N 3.47Å; D221-Y473 WeakPolarHBondContact OD1-CA 3.49Å; D221-Y473 WeakPolarHBondContact OD1-CD1 3.23Å; D221-Y473 PolarHBondContact OD1-N 3.37Å; D221-Y473 PolarHBondContact OD2-N 3.49Å
222	T	98.3	Very high	95.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.1	-41.7	173.8	-58.1	0	0	0	0	112	M186 T188 I218 A219 I220 Q226 L305 L364	M186-T222 HydrophobicContact CE-CG2 3.92Å; M186-T222 HydrophobicContact SD-CG2 3.75Å; T188-T222 HydrophobicContact CG2-CG2 4.08Å; I218-T222 WeakPolarHBondContact O-CB 3.31Å; I218-T222 PolarHBondContact O-N 2.86Å; I218-T222 PolarHBondContact O-OG1 3.26Å; A219-T222 WeakPolarHBondContact O-CB 3.35Å; A219-T222 PolarHBondContact O-N 2.94Å; I220-T222 PolarHBondContact O-N 2.79Å; T222-Q226 WeakPolarHBondContact O-CG 3.28Å; T222-Q226 PolarHBondContact O-NE2 3.38Å; T222-L305 HydrophobicContact CG2-CD2 3.56Å; T222-L364 HydrophobicContact CG2-CD1 4.18Å
223	I	98.4	Very high	95.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.1	-48.3	175.8	-65.6	172.2	0	0	0	110.6	A219 I220 D221 N225 Q226 C241 Y243 L260 A265 Y268 T269 I307	A219-I223 WeakPolarHBondContact O-CG1 3.26Å; A219-I223 PolarHBondContact O-N 2.96Å; A219-I223 VanDerWaalsContact O-N 3.15Å; I220-I223 WeakPolarHBondContact O-CB 3.47Å; I220-I223 PolarHBondContact O-N 2.88Å; D221-I223 VanDerWaalsContact C-N 3.34Å; D221-I223 PolarHBondContact O-N 2.82Å; I223-N225 VanDerWaalsContact C-N 3.25Å; I223-N225 PolarHBondContact O-N 3.42Å; I223-Q226 PolarHBondContact O-N 3.46Å; I223-Q226 VanDerWaalsContact O-N 3.14Å; I223-C241 HydrophobicContact CG1-CB 4.08Å; I223-C241 HydrophobicContact CG2-CB 4.06Å; I223-Y243 HydrophobicContact CD1-CD2 4.23Å; I223-L260 HydrophobicContact CB-CD2 4.2Å; I223-L260 HydrophobicContact CD1-CD1 4.45Å; I223-L260 HydrophobicContact CG2-CD2 3.75Å; I223-A265 HydrophobicContact CG2-CB 4.11Å; I223-Y268 HydrophobicContact CG2-CE2 3.96Å; I223-Y268 WeakPolarHBondContact O-CE2 3.44Å; I223-Y268 PolarHBondContact O-OH 3.46Å; I223-T269 HydrophobicContact CD1-CG2 4.46Å; I223-T269 HydrophobicContact CG2-CG2 4.48Å; I223-T269 WeakPolarHBondContact CG2-OG1 3.46Å; I223-I307 HydrophobicContact CD1-CD1 3.61Å; I223-I307 HydrophobicContact CG1-CD1 3.65Å
224	I	98.1	Very high	95.4	Very high	24 Å²	24	32.2 Å²	32.2	12%	0.123	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-39.1	-179.1	-66	172.5	0	0	0	110.4	I220 D221 Q226 K227 L260 A263 A265 Y473 P475	I220-I224 HydrophobicContact CG2-CD1 3.69Å; I220-I224 HydrophobicContact CG2-CG1 4.18Å; I220-I224 WeakPolarHBondContact O-CG1 3.43Å; I220-I224 PolarHBondContact O-N 3.44Å; D221-I224 PolarHBondContact O-N 2.91Å; I224-Q226 PolarHBondContact O-N 2.83Å; I224-Q226 VanDerWaalsContact O-N 3.14Å; I224-K227 WeakPolarHBondContact O-CB 3.48Å; I224-K227 PolarHBondContact O-N 2.71Å; I224-K227 VanDerWaalsContact O-N 3.14Å; I224-L260 HydrophobicContact CG1-CD2 4.29Å; I224-A263 HydrophobicContact CD1-CB 3.87Å; I224-A263 HydrophobicContact CG1-CB 3.85Å; I224-A263 HydrophobicContact CG2-CB 4.2Å; I224-A265 HydrophobicContact CG1-CB 4.45Å; I224-Y473 HydrophobicContact CD1-CD1 3.89Å; I224-P475 HydrophobicContact CB-CG 4.33Å; I224-P475 HydrophobicContact CG2-CG 3.82Å
225	N	97.5	Very high	95.2	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-56.1	-31.9	178.4	-169.4	66	0	0	0	113	Q187 T188 G189 D221 I223 K227 R228 P475	Q187-N225 PolarHBondContact O-ND2 3.08Å; T188-N225 VanDerWaalsContact O-CB 3.26Å; T188-N225 WeakPolarHBondContact O-CB 3.38Å; G189-N225 VanDerWaalsContact CA-CG 3.49Å; G189-N225 WeakPolarHBondContact CA-OD1 3.39Å; G189-N225 PolarHBondContact N-ND2 3.41Å; D221-N225 VanDerWaalsContact O-CB 3.28Å; D221-N225 WeakPolarHBondContact O-CB 3.16Å; D221-N225 PolarHBondContact O-N 3.47Å; I223-N225 VanDerWaalsContact C-N 3.25Å; I223-N225 PolarHBondContact O-N 3.42Å; N225-K227 PolarHBondContact O-N 3.46Å; N225-R228 VanDerWaalsContact O-CG 3.31Å; N225-R228 WeakPolarHBondContact O-CG 3.38Å; N225-R228 PolarHBondContact O-NE 3.33Å; N225-R228 PolarHBondContact OD1-NH1 2.81Å; N225-R228 PolarHBondContact OD1-NH2 3.22Å; N225-P475 HydrophobicContact CB-CB 3.8Å; N225-P475 HydrophobicContact CB-CG 4.35Å; N225-P475 WeakPolarHBondContact OD1-CB 3.42Å
226	Q	96.8	Very high	94.9	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.009	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-16.8	-177	-52.3	-45.4	-47.2	0	0	114	Q187 T222 I223 I224 R228 F229 N230 L239 Y268	Q187-Q226 PolarHBondContact O-NE2 3.32Å; T222-Q226 WeakPolarHBondContact O-CG 3.28Å; T222-Q226 PolarHBondContact O-NE2 3.38Å; I223-Q226 PolarHBondContact O-N 3.46Å; I223-Q226 VanDerWaalsContact O-N 3.14Å; I224-Q226 PolarHBondContact O-N 2.83Å; I224-Q226 VanDerWaalsContact O-N 3.14Å; Q226-R228 PolarHBondContact O-N 2.91Å; Q226-R228 VanDerWaalsContact O-N 3.16Å; Q226-F229 PolarHBondContact O-N 3.48Å; Q226-N230 PolarHBondContact O-N 2.83Å; Q226-L239 HydrophobicContact CB-CB 4.45Å; Q226-L239 VanDerWaalsContact CD-CD2 3.46Å; Q226-L239 HydrophobicContact CG-CB 4.19Å; Q226-L239 HydrophobicContact CG-CD2 3.76Å; Q226-L239 HydrophobicContact CG-CG 4.43Å; Q226-Y268 HydrophobicContact CB-CE2 4.01Å
227	K	95.9	Very high	94.6	Very high	63 Å²	63	45.7 Å²	45.7	27%	0.274	23%	0.231	S	C	.	.	H	α-helix	trans	-51.2	-42.5	179.4	179.2	172	173.5	168.5	0	112	I224 N225 F229 N230 D231 D264 Y268	I224-K227 WeakPolarHBondContact O-CB 3.48Å; I224-K227 PolarHBondContact O-N 2.71Å; I224-K227 VanDerWaalsContact O-N 3.14Å; N225-K227 PolarHBondContact O-N 3.46Å; K227-F229 PolarHBondContact O-N 3.02Å; K227-F229 VanDerWaalsContact O-N 3.14Å; K227-N230 PolarHBondContact O-N 2.74Å; K227-N230 VanDerWaalsContact O-N 3.15Å; K227-D231 WeakPolarHBondContact CE-OD2 3.43Å; K227-D231 VanDerWaalsContact CG-OD2 3.23Å; K227-D231 WeakPolarHBondContact CG-OD2 3.46Å; K227-D231 WeakPolarHBondContact O-CB 3.46Å; K227-D231 PolarHBondContact O-N 3.22Å; K227-D264 WeakPolarHBondContact CE-OD2 3.48Å; K227-D264 IonicContact NZ-OD2 3.97Å; K227-D264 PolarHBondContact NZ-OD2 3.4Å; K227-Y268 HydrophobicContact CB-CE1 4.1Å; K227-Y268 PolarHBondContact N-OH 2.82Å; K227-Y268 VanDerWaalsContact N-OH 3.12Å
228	R	92.4	Very high	94.6	Very high	89 Å²	89	46.9 Å²	46.9	34%	0.336	23%	0.234	S	C	.	.	H	α-helix	trans	-58.8	-28	179.6	72.9	-170.8	56.2	165.6	-9.4	114.2	N225 Q226 P475 M476	N225-R228 VanDerWaalsContact O-CG 3.31Å; N225-R228 WeakPolarHBondContact O-CG 3.38Å; N225-R228 PolarHBondContact O-NE 3.33Å; N225-R228 PolarHBondContact OD1-NH1 2.81Å; N225-R228 PolarHBondContact OD1-NH2 3.22Å; Q226-R228 PolarHBondContact O-N 2.91Å; Q226-R228 VanDerWaalsContact O-N 3.16Å; R228-P475 PolarHBondContact NH2-O 3.34Å; R228-M476 PolarHBondContact NH1-O 2.93Å; R228-M476 PolarHBondContact NH2-O 3.33Å
229	F	93.8	Very high	94.6	Very high	47 Å²	47	46.6 Å²	46.6	21%	0.206	23%	0.233	C	C	.	.	H	α-helix	trans	-91.6	-37.3	177.7	-58.4	-63.8	0	0	0	111.3	Q187 Q226 K227 G232 K237	Q187-F229 VanDerWaalsContact OE1-CZ 3.27Å; Q226-F229 PolarHBondContact O-N 3.48Å; K227-F229 PolarHBondContact O-N 3.02Å; K227-F229 VanDerWaalsContact O-N 3.14Å; F229-G232 PolarHBondContact O-N 3.27Å; F229-K237 HydrophobicContact CB-CB 4.45Å; F229-K237 HydrophobicContact CD1-CB 4.34Å
230	N	95	Very high	94.6	Very high	17 Å²	17	47.4 Å²	47.4	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-72.5	-29.4	-178.9	-73	-31.2	0	0	0	113.8	Q226 K227 G232 K238 L239 Y268	Q226-N230 PolarHBondContact O-N 2.83Å; K227-N230 PolarHBondContact O-N 2.74Å; K227-N230 VanDerWaalsContact O-N 3.15Å; N230-G232 PolarHBondContact O-N 2.97Å; N230-K238 WeakPolarHBondContact O-CE 3.21Å; N230-K238 VanDerWaalsContact OD1-CA 3.25Å; N230-K238 WeakPolarHBondContact OD1-CA 3.33Å; N230-K238 VanDerWaalsContact OD1-CB 3.24Å; N230-K238 WeakPolarHBondContact OD1-CB 3.27Å; N230-L239 PolarHBondContact ND2-O 3.05Å; N230-L239 PolarHBondContact OD1-N 3.05Å; N230-L239 PolarHBondContact OD1-O 2.83Å; N230-Y268 HydrophobicContact CB-CD1 3.69Å; N230-Y268 HydrophobicContact CB-CE1 4.11Å; N230-Y268 HydrophobicContact CB-CG 4.22Å; N230-Y268 VanDerWaalsContact ND2-CD1 3.27Å; N230-Y268 WeakPolarHBondContact ND2-CD1 3.4Å; N230-Y268 WeakPolarHBondContact ND2-CD2 3.31Å
231	D	93.2	Very high	94.7	Very high	83 Å²	83	47.2 Å²	47.2	44%	0.444	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.8	172.2	-70.7	-16.4	0	0	0	112.4	K227 R267	K227-D231 WeakPolarHBondContact CE-OD2 3.43Å; K227-D231 VanDerWaalsContact CG-OD2 3.23Å; K227-D231 WeakPolarHBondContact CG-OD2 3.46Å; K227-D231 WeakPolarHBondContact O-CB 3.46Å; K227-D231 PolarHBondContact O-N 3.22Å; D231-R267 IonicContact OD1-CZ 3.81Å; D231-R267 IonicContact OD1-NH1 2.81Å; D231-R267 PolarHBondContact OD1-NH1 2.96Å
232	G	90.9	Very high	94.7	Very high	34 Å²	34	46.8 Å²	46.8	35%	0.351	23%	0.233	S	C	.	.	S	Bend	trans	-78.2	172.1	175	0	0	0	0	0	113.8	F229 N230 K238	F229-G232 PolarHBondContact O-N 3.27Å; N230-G232 PolarHBondContact O-N 2.97Å; G232-K238 WeakPolarHBondContact O-CE 3.29Å
233	T	89.3	Confident	94.8	Very high	141 Å²	141	47.1 Å²	47.1	87%	0.865	23%	0.234	S	C	*	.	S	Bend	trans	-89.4	-17.5	179.1	52.4	0	0	0	0	113.8	E235	T233-E235 PolarHBondContact O-N 3.09Å
234	D	91.4	Very high	94.8	Very high	64 Å²	64	47.1 Å²	47.1	34%	0.342	23%	0.234	S	C	.	.			trans	-82.1	100	-175.3	-175.9	-2.6	0	0	0	111.9	K236 K237 K238	D234-K236 PolarHBondContact O-N 3.26Å; D234-K236 WeakPolarHBondContact OD1-CB 3.23Å; D234-K236 PolarHBondContact OD1-N 3.18Å; D234-K237 HydrophobicContact CB-CB 4.34Å; D234-K237 HydrophobicContact CB-CD 4.2Å; D234-K237 HydrophobicContact CB-CG 4.35Å; D234-K237 PolarHBondContact O-N 3.21Å; D234-K237 VanDerWaalsContact OD2-CD 3.25Å; D234-K237 WeakPolarHBondContact OD2-CD 3.31Å; D234-K237 WeakPolarHBondContact OD2-CE 3.32Å; D234-K237 WeakPolarHBondContact OD2-CG 3.4Å; D234-K237 IonicContact OD2-NZ 2.86Å; D234-K238 PolarHBondContact O-N 3.37Å
235	E	89.1	Confident	94.8	Very high	83 Å²	83	46 Å²	46	39%	0.388	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-30.4	177.6	-74.7	-61.1	136.9	0	0	113.6	T233 K237 K238 Y240 K302	T233-E235 PolarHBondContact O-N 3.09Å; E235-K237 PolarHBondContact O-N 3.43Å; E235-K238 PolarHBondContact O-N 2.95Å; E235-K238 WeakPolarHBondContact OE1-CD 3.16Å; E235-K238 VanDerWaalsContact OE1-CE 3.3Å; E235-K238 WeakPolarHBondContact OE1-CE 3.4Å; E235-K238 IonicContact OE1-NZ 2.7Å; E235-K238 PolarHBondContact OE1-NZ 2.96Å; E235-Y240 PolarHBondContact OE2-OH 3.31Å; E235-Y240 VanDerWaalsContact OE2-OH 3.07Å; E235-K302 IonicContact OE2-NZ 3.41Å
236	K	90.2	Very high	94.8	Very high	165 Å²	165	45.9 Å²	45.9	72%	0.717	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-24.3	178.6	-64.6	-173.7	177.4	-176.6	0	111.8	R201 D234 H303	R201-K236 PolarHBondContact NH1-O 2.72Å; D234-K236 PolarHBondContact O-N 3.26Å; D234-K236 WeakPolarHBondContact OD1-CB 3.23Å; D234-K236 PolarHBondContact OD1-N 3.18Å; K236-H303 PolarHBondContact O-CD2 2.89Å; K236-H303 PolarHBondContact O-NE2 3.41Å
237	K	91.2	Very high	94.8	Very high	115 Å²	115	46.3 Å²	46.3	50%	0.5	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-23.9	177.5	-71.4	177.7	-173.8	170.7	0	112.7	R201 F229 D234 E235	R201-K237 PolarHBondContact NH2-O 3.27Å; F229-K237 HydrophobicContact CB-CB 4.45Å; F229-K237 HydrophobicContact CD1-CB 4.34Å; D234-K237 HydrophobicContact CB-CB 4.34Å; D234-K237 HydrophobicContact CB-CD 4.2Å; D234-K237 HydrophobicContact CB-CG 4.35Å; D234-K237 PolarHBondContact O-N 3.21Å; D234-K237 VanDerWaalsContact OD2-CD 3.25Å; D234-K237 WeakPolarHBondContact OD2-CD 3.31Å; D234-K237 WeakPolarHBondContact OD2-CE 3.32Å; D234-K237 WeakPolarHBondContact OD2-CG 3.4Å; D234-K237 IonicContact OD2-NZ 2.86Å; E235-K237 PolarHBondContact O-N 3.43Å
238	K	95.6	Very high	94.8	Very high	37 Å²	37	44.7 Å²	44.7	16%	0.161	23%	0.226	C	C	.	.			trans	-58.5	148	178.6	-63.4	-164.2	-177.4	170.6	0	112	N230 G232 D234 E235 Y240	N230-K238 WeakPolarHBondContact O-CE 3.21Å; N230-K238 VanDerWaalsContact OD1-CA 3.25Å; N230-K238 WeakPolarHBondContact OD1-CA 3.33Å; N230-K238 VanDerWaalsContact OD1-CB 3.24Å; N230-K238 WeakPolarHBondContact OD1-CB 3.27Å; G232-K238 WeakPolarHBondContact O-CE 3.29Å; D234-K238 PolarHBondContact O-N 3.37Å; E235-K238 PolarHBondContact O-N 2.95Å; E235-K238 WeakPolarHBondContact OE1-CD 3.16Å; E235-K238 VanDerWaalsContact OE1-CE 3.3Å; E235-K238 WeakPolarHBondContact OE1-CE 3.4Å; E235-K238 IonicContact OE1-NZ 2.7Å; E235-K238 PolarHBondContact OE1-NZ 2.96Å; K238-Y240 HydrophobicContact CB-CE2 4.38Å
239	L	96.8	Very high	95	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.			trans	-138.4	116.1	178.7	-167.3	73.2	0	0	0	109.2	M186 Q226 N230 H303 L305	M186-L239 HydrophobicContact CG-CD2 3.82Å; M186-L239 HydrophobicContact SD-CD2 4.18Å; Q226-L239 HydrophobicContact CB-CB 4.45Å; Q226-L239 VanDerWaalsContact CD-CD2 3.46Å; Q226-L239 HydrophobicContact CG-CB 4.19Å; Q226-L239 HydrophobicContact CG-CD2 3.76Å; Q226-L239 HydrophobicContact CG-CG 4.43Å; N230-L239 PolarHBondContact ND2-O 3.05Å; N230-L239 PolarHBondContact OD1-N 3.05Å; N230-L239 PolarHBondContact OD1-O 2.83Å; L239-H303 WeakPolarHBondContact CA-O 3.49Å; L239-H303 HydrophobicContact CD1-CB 3.57Å; L239-L305 HydrophobicContact CD2-CB 3.8Å; L239-L305 HydrophobicContact CD2-CD2 4.38Å; L239-L305 HydrophobicContact CG-CB 4.11Å
240	Y	98.3	Very high	95.1	Very high	17 Å²	17	53.1 Å²	53.1	7%	0.067	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	131.7	179.1	-58.7	-88.4	0	0	0	109.7	L144 E235 K238 F297 K302 H303 A304 L305	L144-Y240 HydrophobicContact CD1-CD1 3.74Å; L144-Y240 HydrophobicContact CD1-CE1 3.82Å; L144-Y240 HydrophobicContact CD2-CD1 3.89Å; L144-Y240 HydrophobicContact CG-CD1 4.49Å; E235-Y240 PolarHBondContact OE2-OH 3.31Å; E235-Y240 VanDerWaalsContact OE2-OH 3.07Å; K238-Y240 HydrophobicContact CB-CE2 4.38Å; Y240-F297 HydrophobicContact CD1-CD1 4.13Å; Y240-F297 AromaticContact CD1-CE1 3.73Å; Y240-F297 HydrophobicContact CD1-CE1 3.73Å; Y240-F297 HydrophobicContact CD1-CZ 4.33Å; Y240-F297 AromaticContact CD2-CD1 3.62Å; Y240-F297 HydrophobicContact CD2-CD1 3.62Å; Y240-F297 HydrophobicContact CD2-CE1 4.1Å; Y240-F297 HydrophobicContact CD2-CG 4.21Å; Y240-F297 HydrophobicContact CE1-CE1 4.2Å; Y240-F297 HydrophobicContact CE2-CD1 4.19Å; Y240-F297 AromaticContact CG-CD1 3.6Å; Y240-F297 HydrophobicContact CG-CD1 3.6Å; Y240-F297 AromaticContact CG-CE1 3.65Å; Y240-F297 HydrophobicContact CG-CE1 3.65Å; Y240-F297 HydrophobicContact CG-CG 4.18Å; Y240-F297 HydrophobicContact CG-CZ 4.28Å; Y240-K302 HydrophobicContact CD2-CB 4.18Å; Y240-K302 HydrophobicContact CD2-CD 4.36Å; Y240-K302 HydrophobicContact CE2-CB 3.97Å; Y240-K302 HydrophobicContact CE2-CD 3.62Å; Y240-K302 HydrophobicContact CE2-CG 4.1Å; Y240-K302 PolarHBondContact OH-NZ 2.89Å; Y240-K302 VanDerWaalsContact OH-NZ 3.13Å; Y240-H303 WeakPolarHBondContact CD2-O 3.49Å; Y240-H303 PolarHBondContact N-O 3.38Å; Y240-A304 CarbonylContact O-C 3.5Å; Y240-A304 WeakPolarHBondContact O-CA 3.37Å; Y240-L305 PolarHBondContact O-N 3.24Å
241	C	98.7	Very high	95.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	142.7	-172	-62.5	0	0	0	0	111.6	I223 Y268 T269 I270 L305	I223-C241 HydrophobicContact CG1-CB 4.08Å; I223-C241 HydrophobicContact CG2-CB 4.06Å; C241-Y268 HydrophobicContact CB-CD2 4.33Å; C241-Y268 PolarHBondContact N-O 3.43Å; C241-T269 HydrophobicContact CB-CG2 4.01Å; C241-T269 CarbonylContact O-C 3.58Å; C241-T269 VanDerWaalsContact O-CA 3.24Å; C241-T269 WeakPolarHBondContact O-CA 3.47Å; C241-I270 PolarHBondContact O-N 3.34Å; C241-L305 CarbonylContact C-O 3.52Å; C241-L305 WeakPolarHBondContact CA-O 3.37Å
242	I	98.8	Very high	95.2	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	119.7	173.7	-57.5	89	0	0	0	107.1	V244 I270 V272 F297 A304 L305 I306 I307	I242-V244 HydrophobicContact CG2-CG2 4.09Å; I242-I270 CarbonylContact C-O 3.59Å; I242-I270 WeakPolarHBondContact CA-O 3.36Å; I242-I270 HydrophobicContact CG1-CB 4.33Å; I242-I270 HydrophobicContact CG1-CD1 4.27Å; I242-V272 HydrophobicContact CG2-CG2 4.33Å; I242-F297 HydrophobicContact CD1-CD2 4.47Å; I242-A304 HydrophobicContact CD1-CB 3.97Å; I242-L305 PolarHBondContact N-O 2.96Å; I242-I306 HydrophobicContact CB-CB 4.3Å; I242-I306 HydrophobicContact CB-CD1 4.32Å; I242-I306 HydrophobicContact CB-CG1 4.1Å; I242-I306 HydrophobicContact CG2-CD1 4.06Å; I242-I306 HydrophobicContact CG2-CG1 4.17Å; I242-I306 CarbonylContact O-C 3.59Å; I242-I306 WeakPolarHBondContact O-CA 3.35Å; I242-I307 PolarHBondContact O-N 3.17Å
243	Y	98.8	Very high	95.5	Very high	6 Å²	6	53.4 Å²	53.4	2%	0.024	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.9	175	-175.2	-86.9	0	0	0	109.4	I223 A245 L256 I270 V271 V272 I307 D309	I223-Y243 HydrophobicContact CD1-CD2 4.23Å; Y243-A245 HydrophobicContact CD1-CB 4.43Å; Y243-A245 HydrophobicContact CE1-CB 3.98Å; Y243-L256 HydrophobicContact CD1-CD1 4.09Å; Y243-L256 HydrophobicContact CD1-CD2 4.06Å; Y243-L256 HydrophobicContact CD2-CD1 4.34Å; Y243-L256 HydrophobicContact CE1-CD1 3.44Å; Y243-L256 VanDerWaalsContact CE1-CD1 3.44Å; Y243-L256 HydrophobicContact CE1-CD2 4.18Å; Y243-L256 HydrophobicContact CE1-CG 4.48Å; Y243-L256 HydrophobicContact CE2-CD1 3.75Å; Y243-L256 HydrophobicContact CG-CD1 4.49Å; Y243-L256 HydrophobicContact CG-CD2 4.39Å; Y243-L256 WeakPolarHBondContact OH-CD1 3.36Å; Y243-I270 PolarHBondContact N-O 3.08Å; Y243-V271 HydrophobicContact CD1-CG1 4.4Å; Y243-V271 CarbonylContact O-C 3.55Å; Y243-V271 WeakPolarHBondContact O-CA 3.44Å; Y243-V272 PolarHBondContact O-N 3.42Å; Y243-I307 HydrophobicContact CD2-CB 4Å; Y243-I307 HydrophobicContact CD2-CD1 4.33Å; Y243-I307 HydrophobicContact CD2-CG2 3.75Å; Y243-I307 HydrophobicContact CE2-CG2 3.77Å; Y243-D309 HydrophobicContact CE1-CB 4.42Å; Y243-D309 HydrophobicContact CE2-CB 4.08Å; Y243-D309 VanDerWaalsContact OH-CB 3.28Å; Y243-D309 WeakPolarHBondContact OH-CB 3.11Å; Y243-D309 PolarHBondContact OH-OD2 3.32Å
244	V	98.8	Very high	95.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	106.6	179.9	-170.3	0	0	0	0	109.3	I242 I246 V272 A286 P287 I306 I307 Y308 D309	I242-V244 HydrophobicContact CG2-CG2 4.09Å; V244-I246 HydrophobicContact CG1-CD1 4.33Å; V244-I246 HydrophobicContact CG1-CG1 3.88Å; V244-V272 CarbonylContact C-O 3.46Å; V244-V272 WeakPolarHBondContact CA-O 3.28Å; V244-V272 HydrophobicContact CG1-CB 4.26Å; V244-V272 HydrophobicContact CG1-CG1 4.36Å; V244-V272 HydrophobicContact CG2-CB 4.31Å; V244-A286 HydrophobicContact CG1-CB 4.01Å; V244-P287 HydrophobicContact CG1-CG 4.4Å; V244-I306 HydrophobicContact CG2-CD1 4.01Å; V244-I306 HydrophobicContact CG2-CG1 4.14Å; V244-I307 WeakPolarHBondContact CB-O 3.48Å; V244-I307 PolarHBondContact N-O 3.04Å; V244-Y308 HydrophobicContact CB-CD1 4.14Å; V244-Y308 HydrophobicContact CG2-CD1 4.02Å; V244-Y308 HydrophobicContact CG2-CE1 4.29Å; V244-D309 PolarHBondContact O-N 3.31Å
245	A	98.4	Very high	96.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.7	173.7	0	0	0	0	0	110.3	Y243 Q248 V253 V272 A274	Y243-A245 HydrophobicContact CD1-CB 4.43Å; Y243-A245 HydrophobicContact CE1-CB 3.98Å; A245-Q248 HydrophobicContact CB-CB 4.38Å; A245-Q248 HydrophobicContact CB-CG 4.14Å; A245-V253 HydrophobicContact CB-CG2 3.69Å; A245-V272 PolarHBondContact N-O 2.88Å; A245-A274 PolarHBondContact O-N 2.68Å
246	I	98.4	Very high	96.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.9	-175.3	-50.2	152	0	0	0	108.1	V244 Q248 A274 Q283 P287 D309 D310 L311 K313 Q314	V244-I246 HydrophobicContact CG1-CD1 4.33Å; V244-I246 HydrophobicContact CG1-CG1 3.88Å; I246-Q248 PolarHBondContact O-N 2.78Å; I246-A274 CarbonylContact C-O 3.59Å; I246-A274 WeakPolarHBondContact CA-O 3.42Å; I246-Q283 HydrophobicContact CG2-CB 4.2Å; I246-P287 HydrophobicContact CD1-CG 3.47Å; I246-P287 VanDerWaalsContact CD1-CG 3.47Å; I246-P287 HydrophobicContact CG1-CG 3.89Å; I246-D309 PolarHBondContact N-O 2.96Å; I246-D310 WeakPolarHBondContact CD1-O 3.43Å; I246-L311 HydrophobicContact CD1-CD2 4.13Å; I246-K313 HydrophobicContact CG2-CB 4.11Å; I246-K313 WeakPolarHBondContact O-CD 3.36Å; I246-Q314 HydrophobicContact CG2-CB 4.23Å
247	G	96.4	Very high	96.8	Very high	11 Å²	11	41.7 Å²	41.7	11%	0.113	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.5	23.5	179.8	0	0	0	0	0	114	A274	G247-A274 PolarHBondContact N-O 3.29Å
248	Q	96.3	Very high	97.1	Very high	28 Å²	28	42.6 Å²	42.6	13%	0.131	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	156.8	176.8	-60.1	-61.8	-19	0	0	110.6	A245 I246 V253 T275 A276 D309	A245-Q248 HydrophobicContact CB-CB 4.38Å; A245-Q248 HydrophobicContact CB-CG 4.14Å; I246-Q248 PolarHBondContact O-N 2.78Å; Q248-V253 HydrophobicContact CB-CG2 3.89Å; Q248-T275 CarbonylContact O-C 3.36Å; Q248-T275 VanDerWaalsContact O-CA 3.27Å; Q248-T275 WeakPolarHBondContact O-CA 3.32Å; Q248-T275 VanDerWaalsContact O-CB 3.31Å; Q248-T275 WeakPolarHBondContact O-CB 3.31Å; Q248-A276 PolarHBondContact O-N 2.66Å; Q248-D309 WeakPolarHBondContact CG-O 3.4Å; Q248-D309 PolarHBondContact NE2-O 2.83Å; Q248-D309 PolarHBondContact NE2-OD1 2.87Å
249	K	96	Very high	97.2	Very high	148 Å²	148	46 Å²	46	64%	0.643	23%	0.226	S	C	*	.			trans	-67.6	137.8	171.6	-65.4	-176.8	-179.2	-178.4	0	109.5	S251 T252 V253	K249-S251 PolarHBondContact O-N 2.96Å; K249-T252 WeakPolarHBondContact O-CB 3.24Å; K249-T252 PolarHBondContact O-N 3.42Å; K249-V253 PolarHBondContact O-N 2.9Å; K249-V253 VanDerWaalsContact O-N 3.16Å
250	R	94.8	Very high	97.2	Very high	165 Å²	165	46 Å²	46	62%	0.623	23%	0.226	S	C	*	.	H	α-helix	trans	-55.2	-38.5	178.9	-168.1	179.1	-65.1	175.1	-0.5	112.6	T252 V253 A254 T275 S277	R250-T252 PolarHBondContact O-N 3.44Å; R250-V253 PolarHBondContact O-N 2.93Å; R250-A254 WeakPolarHBondContact O-CB 3.41Å; R250-A254 PolarHBondContact O-N 3.14Å; R250-T275 HydrophobicContact CB-CG2 4.22Å; R250-T275 HydrophobicContact CG-CG2 4.48Å; R250-S277 PolarHBondContact NH2-OG 3.37Å
251	S	96.2	Very high	97.2	Very high	71 Å²	71	48.8 Å²	48.8	50%	0.497	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-39.4	175.9	53.2	0	0	0	0	113.1	K249 A254 Q255	K249-S251 PolarHBondContact O-N 2.96Å; S251-A254 PolarHBondContact O-N 3.46Å; S251-Q255 VanDerWaalsContact O-CG 3.32Å; S251-Q255 WeakPolarHBondContact O-CG 3.46Å; S251-Q255 PolarHBondContact O-N 2.96Å
252	T	95.5	Very high	97.1	Very high	59 Å²	59	54.3 Å²	54.3	36%	0.362	28%	0.275	S	S	.	.	H	α-helix	trans	-64.3	-44	176.2	-55.9	0	0	0	0	111	K249 R250 Q255 L256	K249-T252 WeakPolarHBondContact O-CB 3.24Å; K249-T252 PolarHBondContact O-N 3.42Å; R250-T252 PolarHBondContact O-N 3.44Å; T252-Q255 PolarHBondContact O-N 2.69Å; T252-L256 WeakPolarHBondContact O-CB 3.47Å; T252-L256 PolarHBondContact O-N 2.73Å
253	V	96.6	Very high	96.9	Very high	10 Å²	10	55.6 Å²	55.6	6%	0.061	29%	0.286	C	S	.	.	H	α-helix	trans	-63.3	-44.3	176.8	-178.4	0	0	0	0	110.8	A245 Q248 K249 R250 Q255 L256 V257 V271	A245-V253 HydrophobicContact CB-CG2 3.69Å; Q248-V253 HydrophobicContact CB-CG2 3.89Å; K249-V253 PolarHBondContact O-N 2.9Å; K249-V253 VanDerWaalsContact O-N 3.16Å; R250-V253 PolarHBondContact O-N 2.93Å; V253-Q255 PolarHBondContact O-N 3.3Å; V253-L256 WeakPolarHBondContact O-CB 3.45Å; V253-L256 PolarHBondContact O-N 3.07Å; V253-L256 VanDerWaalsContact O-N 3.16Å; V253-V257 HydrophobicContact CG1-CG2 4.41Å; V253-V257 WeakPolarHBondContact O-CG2 3.23Å; V253-V257 PolarHBondContact O-N 3.41Å; V253-V271 HydrophobicContact CG1-CG1 4.31Å
254	A	96.6	Very high	96.8	Very high	61 Å²	61	57.8 Å²	57.8	50%	0.504	30%	0.298	S	S	.	.	H	α-helix	trans	-61	-42.2	177	0	0	0	0	0	112.5	R250 S251 L256 V257 K258	R250-A254 WeakPolarHBondContact O-CB 3.41Å; R250-A254 PolarHBondContact O-N 3.14Å; S251-A254 PolarHBondContact O-N 3.46Å; A254-L256 VanDerWaalsContact C-N 3.33Å; A254-L256 PolarHBondContact O-N 3.49Å; A254-V257 PolarHBondContact O-N 3.11Å; A254-K258 WeakPolarHBondContact O-CB 3.45Å; A254-K258 PolarHBondContact O-N 3.37Å
255	Q	96.8	Very high	96.8	Very high	110 Å²	110	57.8 Å²	57.8	51%	0.514	30%	0.298	S	S	.	.	H	α-helix	trans	-63.4	-38.7	174.6	-73.6	175.2	3.3	0	0	112.1	S251 T252 V253 K258 R259	S251-Q255 VanDerWaalsContact O-CG 3.32Å; S251-Q255 WeakPolarHBondContact O-CG 3.46Å; S251-Q255 PolarHBondContact O-N 2.96Å; T252-Q255 PolarHBondContact O-N 2.69Å; V253-Q255 PolarHBondContact O-N 3.3Å; Q255-K258 PolarHBondContact O-N 2.88Å; Q255-R259 WeakPolarHBondContact O-CG 3.38Å; Q255-R259 PolarHBondContact O-N 2.83Å
256	L	96.9	Very high	96.7	Very high	8 Å²	8	58.3 Å²	58.3	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-64.7	-48.7	176.2	-179.3	152.2	0	0	0	111.5	T216 I220 Y243 T252 V253 A254 K258 R259 L260	T216-L256 HydrophobicContact CG2-CD1 4.13Å; I220-L256 HydrophobicContact CD1-CD1 3.84Å; I220-L256 HydrophobicContact CD1-CG 4.02Å; I220-L256 HydrophobicContact CG1-CD1 4.04Å; I220-L256 HydrophobicContact CG1-CG 4.28Å; Y243-L256 HydrophobicContact CD1-CD1 4.09Å; Y243-L256 HydrophobicContact CD1-CD2 4.06Å; Y243-L256 HydrophobicContact CD2-CD1 4.34Å; Y243-L256 HydrophobicContact CE1-CD1 3.44Å; Y243-L256 VanDerWaalsContact CE1-CD1 3.44Å; Y243-L256 HydrophobicContact CE1-CD2 4.18Å; Y243-L256 HydrophobicContact CE1-CG 4.48Å; Y243-L256 HydrophobicContact CE2-CD1 3.75Å; Y243-L256 HydrophobicContact CG-CD1 4.49Å; Y243-L256 HydrophobicContact CG-CD2 4.39Å; Y243-L256 WeakPolarHBondContact OH-CD1 3.36Å; T252-L256 WeakPolarHBondContact O-CB 3.47Å; T252-L256 PolarHBondContact O-N 2.73Å; V253-L256 WeakPolarHBondContact O-CB 3.45Å; V253-L256 PolarHBondContact O-N 3.07Å; V253-L256 VanDerWaalsContact O-N 3.16Å; A254-L256 VanDerWaalsContact C-N 3.33Å; A254-L256 PolarHBondContact O-N 3.49Å; L256-K258 VanDerWaalsContact C-N 3.27Å; L256-K258 PolarHBondContact O-N 3.28Å; L256-R259 PolarHBondContact O-N 2.76Å; L256-R259 VanDerWaalsContact O-N 3.14Å; L256-L260 HydrophobicContact CD2-CD1 3.6Å; L256-L260 HydrophobicContact CD2-CG 4.2Å; L256-L260 PolarHBondContact O-N 3.05Å
257	V	97.5	Very high	96.6	Very high	29 Å²	29	64.5 Å²	64.5	18%	0.176	32%	0.323	C	S	.	.	H	α-helix	trans	-58.9	-42.1	176.8	172.5	0	0	0	0	110.6	V147 V253 A254 L260 T261 M266 V271	V147-V257 HydrophobicContact CG2-CG1 4.13Å; V147-V257 HydrophobicContact CG2-CG2 3.86Å; V253-V257 HydrophobicContact CG1-CG2 4.41Å; V253-V257 WeakPolarHBondContact O-CG2 3.23Å; V253-V257 PolarHBondContact O-N 3.41Å; A254-V257 PolarHBondContact O-N 3.11Å; V257-L260 PolarHBondContact O-N 2.78Å; V257-T261 WeakPolarHBondContact O-CB 3.38Å; V257-T261 PolarHBondContact O-N 2.67Å; V257-T261 PolarHBondContact O-OG1 3.38Å; V257-M266 HydrophobicContact CG1-CE 4.3Å; V257-M266 HydrophobicContact CG1-SD 4.36Å; V257-V271 HydrophobicContact CG2-CG1 4.26Å; V257-V271 HydrophobicContact CG2-CG2 4.21Å
258	K	97.4	Very high	96.7	Very high	133 Å²	133	64.2 Å²	64.2	58%	0.578	32%	0.319	S	S	*	.	H	α-helix	trans	-58.8	-50.4	174.2	-176.2	179	177.8	-179.2	0	111.3	A254 Q255 L256 L260 T261 D262	A254-K258 WeakPolarHBondContact O-CB 3.45Å; A254-K258 PolarHBondContact O-N 3.37Å; Q255-K258 PolarHBondContact O-N 2.88Å; L256-K258 VanDerWaalsContact C-N 3.27Å; L256-K258 PolarHBondContact O-N 3.28Å; K258-L260 VanDerWaalsContact C-N 3.35Å; K258-L260 PolarHBondContact O-N 3.33Å; K258-T261 CarbonylContact O-C 3.41Å; K258-T261 WeakPolarHBondContact O-CA 3.42Å; K258-T261 WeakPolarHBondContact O-CB 3.42Å; K258-T261 PolarHBondContact O-N 2.65Å; K258-D262 VanDerWaalsContact O-CG 3.23Å; K258-D262 PolarHBondContact O-N 3.08Å
259	R	96.8	Very high	96.8	Very high	109 Å²	109	62.9 Å²	62.9	41%	0.411	31%	0.313	S	S	.	.	H	α-helix	trans	-58.7	-43.9	178.7	-73.8	176.2	-174	177.9	4.5	112.6	Q255 L256 T261 D262 A263 Y473	Q255-R259 WeakPolarHBondContact O-CG 3.38Å; Q255-R259 PolarHBondContact O-N 2.83Å; L256-R259 PolarHBondContact O-N 2.76Å; L256-R259 VanDerWaalsContact O-N 3.14Å; R259-T261 VanDerWaalsContact C-N 3.26Å; R259-T261 PolarHBondContact O-N 3.16Å; R259-D262 PolarHBondContact O-N 2.86Å; R259-A263 WeakPolarHBondContact O-CB 3.22Å; R259-A263 PolarHBondContact O-N 3.04Å; R259-Y473 PolarHBondContact NH1-OH 3.03Å
260	L	97.6	Very high	96.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.8	-30.7	175.6	-68.6	-179.2	0	0	0	112.2	I220 I223 I224 L256 V257 K258 D264 A265 M266 T269	I220-L260 HydrophobicContact CG2-CD2 4.03Å; I223-L260 HydrophobicContact CB-CD2 4.2Å; I223-L260 HydrophobicContact CD1-CD1 4.45Å; I223-L260 HydrophobicContact CG2-CD2 3.75Å; I224-L260 HydrophobicContact CG1-CD2 4.29Å; L256-L260 HydrophobicContact CD2-CD1 3.6Å; L256-L260 HydrophobicContact CD2-CG 4.2Å; L256-L260 PolarHBondContact O-N 3.05Å; V257-L260 PolarHBondContact O-N 2.78Å; K258-L260 VanDerWaalsContact C-N 3.35Å; K258-L260 PolarHBondContact O-N 3.33Å; L260-D264 PolarHBondContact O-N 3.34Å; L260-D264 VanDerWaalsContact O-N 3.17Å; L260-A265 HydrophobicContact CB-CB 4.5Å; L260-A265 HydrophobicContact CD2-CB 4.08Å; L260-A265 WeakPolarHBondContact O-CA 3.25Å; L260-A265 PolarHBondContact O-N 3Å; L260-M266 HydrophobicContact CB-CG 3.65Å; L260-M266 HydrophobicContact CB-SD 3.65Å; L260-M266 HydrophobicContact CD1-SD 3.85Å; L260-M266 HydrophobicContact CG-SD 4.43Å; L260-M266 PolarHBondContact O-N 2.75Å; L260-M266 VanDerWaalsContact O-N 3.13Å; L260-T269 HydrophobicContact CD1-CG2 4.11Å
261	T	97.2	Very high	97.1	Very high	75 Å²	75	48 Å²	48	46%	0.46	25%	0.253	S	S	.	.	H	α-helix	trans	-72.7	-45.7	175.5	-55	0	0	0	0	110.8	V257 K258 R259 A263 D264 M266	V257-T261 WeakPolarHBondContact O-CB 3.38Å; V257-T261 PolarHBondContact O-N 2.67Å; V257-T261 PolarHBondContact O-OG1 3.38Å; K258-T261 CarbonylContact O-C 3.41Å; K258-T261 WeakPolarHBondContact O-CA 3.42Å; K258-T261 WeakPolarHBondContact O-CB 3.42Å; K258-T261 PolarHBondContact O-N 2.65Å; R259-T261 VanDerWaalsContact C-N 3.26Å; R259-T261 PolarHBondContact O-N 3.16Å; T261-A263 VanDerWaalsContact C-N 3.27Å; T261-A263 PolarHBondContact O-N 3.32Å; T261-D264 WeakPolarHBondContact O-CA 3.14Å; T261-D264 PolarHBondContact O-N 3.45Å; T261-M266 WeakPolarHBondContact OG1-CG 3.44Å
262	D	96.9	Very high	97.2	Very high	117 Å²	117	44.6 Å²	44.6	63%	0.626	23%	0.229	S	C	*	.	H	α-helix	trans	-62.8	-35.8	178.2	-63.2	-16.1	0	0	0	111.2	K258 R259 D264	K258-D262 VanDerWaalsContact O-CG 3.23Å; K258-D262 PolarHBondContact O-N 3.08Å; R259-D262 PolarHBondContact O-N 2.86Å; D262-D264 VanDerWaalsContact C-N 3.25Å; D262-D264 PolarHBondContact O-N 2.83Å
263	A	95.9	Very high	97.3	Very high	28 Å²	28	42 Å²	42	23%	0.231	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-0.6	172.4	0	0	0	0	0	113.7	I224 R259 T261 A265	I224-A263 HydrophobicContact CD1-CB 3.87Å; I224-A263 HydrophobicContact CG1-CB 3.85Å; I224-A263 HydrophobicContact CG2-CB 4.2Å; R259-A263 WeakPolarHBondContact O-CB 3.22Å; R259-A263 PolarHBondContact O-N 3.04Å; T261-A263 VanDerWaalsContact C-N 3.27Å; T261-A263 PolarHBondContact O-N 3.32Å; A263-A265 PolarHBondContact O-N 3.15Å
264	D	96.4	Very high	97.4	Very high	52 Å²	52	41.6 Å²	41.6	28%	0.278	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	29	178.7	-178.2	42.1	0	0	0	113.6	K227 L260 T261 D262 R267	K227-D264 WeakPolarHBondContact CE-OD2 3.48Å; K227-D264 IonicContact NZ-OD2 3.97Å; K227-D264 PolarHBondContact NZ-OD2 3.4Å; L260-D264 PolarHBondContact O-N 3.34Å; L260-D264 VanDerWaalsContact O-N 3.17Å; T261-D264 WeakPolarHBondContact O-CA 3.14Å; T261-D264 PolarHBondContact O-N 3.45Å; D262-D264 VanDerWaalsContact C-N 3.25Å; D262-D264 PolarHBondContact O-N 2.83Å; D264-R267 VanDerWaalsContact CG-CZ 3.43Å; D264-R267 PolarHBondContact O-NE 3.37Å; D264-R267 IonicContact OD1-CZ 3.16Å; D264-R267 IonicContact OD1-NE 3.12Å; D264-R267 PolarHBondContact OD1-NE 2.9Å; D264-R267 IonicContact OD1-NH2 2.72Å; D264-R267 PolarHBondContact OD1-NH2 3.46Å; D264-R267 IonicContact OD2-CZ 3.06Å; D264-R267 IonicContact OD2-NE 3.73Å; D264-R267 PolarHBondContact OD2-NE 3.34Å; D264-R267 IonicContact OD2-NH1 2.74Å; D264-R267 IonicContact OD2-NH2 2.73Å; D264-R267 PolarHBondContact OD2-NH2 2.96Å
265	A	97.6	Very high	97.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.188	C	C	.	.			trans	-92.3	-16.6	177.7	0	0	0	0	0	113.1	I223 I224 L260 A263 R267 Y268 T269	I223-A265 HydrophobicContact CG2-CB 4.11Å; I224-A265 HydrophobicContact CG1-CB 4.45Å; L260-A265 HydrophobicContact CB-CB 4.5Å; L260-A265 HydrophobicContact CD2-CB 4.08Å; L260-A265 WeakPolarHBondContact O-CA 3.25Å; L260-A265 PolarHBondContact O-N 3Å; A263-A265 PolarHBondContact O-N 3.15Å; A265-R267 PolarHBondContact O-N 3.07Å; A265-Y268 HydrophobicContact CB-CE1 4.25Å; A265-Y268 HydrophobicContact CB-CE2 4.24Å; A265-Y268 VanDerWaalsContact CB-OH 3.25Å; A265-Y268 WeakPolarHBondContact CB-OH 3.42Å; A265-Y268 PolarHBondContact O-N 3.24Å; A265-T269 WeakPolarHBondContact O-CB 3.22Å; A265-T269 PolarHBondContact O-OG1 2.8Å
266	M	97.2	Very high	97.2	Very high	11 Å²	11	36.6 Å²	36.6	5%	0.054	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-60.5	-29.3	177.2	-80.6	-56.6	-64	0	0	112.7	G145 V257 L260 T261 Y268 T269 V271	G145-M266 WeakPolarHBondContact CA-O 3.31Å; G145-M266 PolarHBondContact N-O 3.37Å; G145-M266 VanDerWaalsContact N-O 3.11Å; V257-M266 HydrophobicContact CG1-CE 4.3Å; V257-M266 HydrophobicContact CG1-SD 4.36Å; L260-M266 HydrophobicContact CB-CG 3.65Å; L260-M266 HydrophobicContact CB-SD 3.65Å; L260-M266 HydrophobicContact CD1-SD 3.85Å; L260-M266 HydrophobicContact CG-SD 4.43Å; L260-M266 PolarHBondContact O-N 2.75Å; L260-M266 VanDerWaalsContact O-N 3.13Å; T261-M266 WeakPolarHBondContact OG1-CG 3.44Å; M266-Y268 PolarHBondContact O-N 2.93Å; M266-T269 PolarHBondContact O-N 3.14Å; M266-V271 HydrophobicContact CE-CG2 4.02Å; M266-V271 HydrophobicContact SD-CG2 4.08Å
267	R	96.6	Very high	97	Very high	129 Å²	129	40.1 Å²	40.1	49%	0.487	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-54.5	-26.9	-178.5	68.8	177	58.6	-167.7	-17	114.4	D231 D264 A265	D231-R267 IonicContact OD1-CZ 3.81Å; D231-R267 IonicContact OD1-NH1 2.81Å; D231-R267 PolarHBondContact OD1-NH1 2.96Å; D264-R267 VanDerWaalsContact CG-CZ 3.43Å; D264-R267 PolarHBondContact O-NE 3.37Å; D264-R267 IonicContact OD1-CZ 3.16Å; D264-R267 IonicContact OD1-NE 3.12Å; D264-R267 PolarHBondContact OD1-NE 2.9Å; D264-R267 IonicContact OD1-NH2 2.72Å; D264-R267 PolarHBondContact OD1-NH2 3.46Å; D264-R267 IonicContact OD2-CZ 3.06Å; D264-R267 IonicContact OD2-NE 3.73Å; D264-R267 PolarHBondContact OD2-NE 3.34Å; D264-R267 IonicContact OD2-NH1 2.74Å; D264-R267 IonicContact OD2-NH2 2.73Å; D264-R267 PolarHBondContact OD2-NH2 2.96Å; A265-R267 PolarHBondContact O-N 3.07Å
268	Y	97.6	Very high	96.8	Very high	6 Å²	6	41 Å²	41	2%	0.024	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-120.2	12.7	179.7	56.8	-104.1	0	0	0	112.5	I223 Q226 K227 N230 C241 A265 M266	I223-Y268 HydrophobicContact CG2-CE2 3.96Å; I223-Y268 WeakPolarHBondContact O-CE2 3.44Å; I223-Y268 PolarHBondContact O-OH 3.46Å; Q226-Y268 HydrophobicContact CB-CE2 4.01Å; K227-Y268 HydrophobicContact CB-CE1 4.1Å; K227-Y268 PolarHBondContact N-OH 2.82Å; K227-Y268 VanDerWaalsContact N-OH 3.12Å; N230-Y268 HydrophobicContact CB-CD1 3.69Å; N230-Y268 HydrophobicContact CB-CE1 4.11Å; N230-Y268 HydrophobicContact CB-CG 4.22Å; N230-Y268 VanDerWaalsContact ND2-CD1 3.27Å; N230-Y268 WeakPolarHBondContact ND2-CD1 3.4Å; N230-Y268 WeakPolarHBondContact ND2-CD2 3.31Å; C241-Y268 HydrophobicContact CB-CD2 4.33Å; C241-Y268 PolarHBondContact N-O 3.43Å; A265-Y268 HydrophobicContact CB-CE1 4.25Å; A265-Y268 HydrophobicContact CB-CE2 4.24Å; A265-Y268 VanDerWaalsContact CB-OH 3.25Å; A265-Y268 WeakPolarHBondContact CB-OH 3.42Å; A265-Y268 PolarHBondContact O-N 3.24Å; M266-Y268 PolarHBondContact O-N 2.93Å
269	T	98.6	Very high	96.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.2	-176.2	-54.6	0	0	0	0	111.6	G145 I223 C241 L260 A265 M266 V271	G145-T269 PolarHBondContact N-O 2.95Å; I223-T269 HydrophobicContact CD1-CG2 4.46Å; I223-T269 HydrophobicContact CG2-CG2 4.48Å; I223-T269 WeakPolarHBondContact CG2-OG1 3.46Å; C241-T269 HydrophobicContact CB-CG2 4.01Å; C241-T269 CarbonylContact O-C 3.58Å; C241-T269 VanDerWaalsContact O-CA 3.24Å; C241-T269 WeakPolarHBondContact O-CA 3.47Å; L260-T269 HydrophobicContact CD1-CG2 4.11Å; A265-T269 WeakPolarHBondContact O-CB 3.22Å; A265-T269 PolarHBondContact O-OG1 2.8Å; M266-T269 PolarHBondContact O-N 3.14Å; T269-V271 HydrophobicContact CG2-CG2 4.32Å
270	I	98.4	Very high	96.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132	167.7	-49.8	176.2	0	0	0	107.7	L143 L144 V148 C241 I242 Y243 V272 M293 F297	L143-I270 HydrophobicContact CB-CD1 3.62Å; L143-I270 HydrophobicContact CB-CG1 4Å; L143-I270 HydrophobicContact CB-CG2 4.19Å; L144-I270 HydrophobicContact CD2-CD1 4.37Å; L144-I270 HydrophobicContact CD2-CG1 3.97Å; V148-I270 HydrophobicContact CG2-CG2 4.41Å; C241-I270 PolarHBondContact O-N 3.34Å; I242-I270 CarbonylContact C-O 3.59Å; I242-I270 WeakPolarHBondContact CA-O 3.36Å; I242-I270 HydrophobicContact CG1-CB 4.33Å; I242-I270 HydrophobicContact CG1-CD1 4.27Å; Y243-I270 PolarHBondContact N-O 3.08Å; I270-V272 HydrophobicContact CG2-CG2 4.41Å; I270-M293 HydrophobicContact CD1-CB 4.29Å; I270-M293 HydrophobicContact CG2-SD 4.07Å; I270-F297 HydrophobicContact CD1-CE2 3.89Å; I270-F297 HydrophobicContact CD1-CZ 4.27Å
271	V	98.6	Very high	96.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.1	172.5	-179.8	0	0	0	0	109.2	R146 V147 V148 Y243 V253 V257 M266 T269	R146-V271 PolarHBondContact O-N 3.11Å; R146-V271 VanDerWaalsContact O-N 3.11Å; V147-V271 CarbonylContact C-O 3.51Å; V147-V271 WeakPolarHBondContact CA-O 3.34Å; V147-V271 HydrophobicContact CB-CB 4.45Å; V147-V271 HydrophobicContact CG1-CB 4.08Å; V147-V271 HydrophobicContact CG1-CG1 3.98Å; V147-V271 HydrophobicContact CG2-CB 4.2Å; V148-V271 PolarHBondContact N-O 3.41Å; Y243-V271 HydrophobicContact CD1-CG1 4.4Å; Y243-V271 CarbonylContact O-C 3.55Å; Y243-V271 WeakPolarHBondContact O-CA 3.44Å; V253-V271 HydrophobicContact CG1-CG1 4.31Å; V257-V271 HydrophobicContact CG2-CG1 4.26Å; V257-V271 HydrophobicContact CG2-CG2 4.21Å; M266-V271 HydrophobicContact CE-CG2 4.02Å; M266-V271 HydrophobicContact SD-CG2 4.08Å; T269-V271 HydrophobicContact CG2-CG2 4.32Å
272	V	98.6	Very high	96.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.4	172.3	-176.5	0	0	0	0	107.8	V148 I242 Y243 V244 A245 I270 A286 M293	V148-V272 HydrophobicContact CG2-CB 4.47Å; V148-V272 HydrophobicContact CG2-CG2 3.94Å; V148-V272 CarbonylContact O-C 3.5Å; V148-V272 WeakPolarHBondContact O-CA 3.42Å; I242-V272 HydrophobicContact CG2-CG2 4.33Å; Y243-V272 PolarHBondContact O-N 3.42Å; V244-V272 CarbonylContact C-O 3.46Å; V244-V272 WeakPolarHBondContact CA-O 3.28Å; V244-V272 HydrophobicContact CG1-CB 4.26Å; V244-V272 HydrophobicContact CG1-CG1 4.36Å; V244-V272 HydrophobicContact CG2-CB 4.31Å; A245-V272 PolarHBondContact N-O 2.88Å; I270-V272 HydrophobicContact CG2-CG2 4.41Å; V272-A286 HydrophobicContact CG1-CB 4.21Å; V272-M293 HydrophobicContact CG2-CE 4.47Å; V272-M293 HydrophobicContact CG2-SD 3.66Å
273	S	98	Very high	96.1	Very high	5 Å²	5	24.9 Å²	24.9	4%	0.035	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	116	-173	177.5	0	0	0	0	111.5	V148 T275	V148-S273 PolarHBondContact O-N 2.88Å; S273-T275 WeakPolarHBondContact OG-CG2 3.39Å
274	A	97.4	Very high	96.1	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	97.7	160.8	0	0	0	0	0	107.8	A150 A245 I246 G247 L282 Q283 A286	A150-A274 HydrophobicContact CB-CB 4.47Å; A245-A274 PolarHBondContact O-N 2.68Å; I246-A274 CarbonylContact C-O 3.59Å; I246-A274 WeakPolarHBondContact CA-O 3.42Å; G247-A274 PolarHBondContact N-O 3.29Å; A274-L282 HydrophobicContact CB-CB 4.44Å; A274-Q283 HydrophobicContact CB-CB 4.49Å; A274-Q283 HydrophobicContact CB-CG 4.17Å; A274-A286 HydrophobicContact CB-CB 3.69Å
275	T	96.4	Very high	96.1	Very high	4 Å²	4	21.7 Å²	21.7	3%	0.025	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	168.1	-174.7	64.1	0	0	0	0	112.4	Q248 R250 S273 S277 D278 Q283	Q248-T275 CarbonylContact O-C 3.36Å; Q248-T275 VanDerWaalsContact O-CA 3.27Å; Q248-T275 WeakPolarHBondContact O-CA 3.32Å; Q248-T275 VanDerWaalsContact O-CB 3.31Å; Q248-T275 WeakPolarHBondContact O-CB 3.31Å; R250-T275 HydrophobicContact CB-CG2 4.22Å; R250-T275 HydrophobicContact CG-CG2 4.48Å; S273-T275 WeakPolarHBondContact OG-CG2 3.39Å; T275-S277 PolarHBondContact O-N 2.92Å; T275-S277 VanDerWaalsContact O-N 3.15Å; T275-S277 PolarHBondContact OG1-OG 3.39Å; T275-D278 WeakPolarHBondContact CA-OD2 3.43Å; T275-D278 PolarHBondContact N-OD2 3.17Å; T275-D278 WeakPolarHBondContact O-CB 3.34Å; T275-D278 PolarHBondContact O-N 2.98Å; T275-D278 VanDerWaalsContact OG1-CG 3.26Å; T275-D278 PolarHBondContact OG1-OD1 3.35Å; T275-D278 PolarHBondContact OG1-OD2 2.83Å; T275-Q283 PolarHBondContact O-NE2 2.77Å
276	A	94.2	Very high	96.1	Very high	61 Å²	61	21.7 Å²	21.7	50%	0.504	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.7	178	0	0	0	0	0	114.3	Q248 D278	Q248-A276 PolarHBondContact O-N 2.66Å; A276-D278 VanDerWaalsContact C-N 3.32Å
277	S	92.3	Very high	96.2	Very high	82 Å²	82	21.2 Å²	21.2	57%	0.573	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-14.8	175.7	57.4	0	0	0	0	113.3	R250 T275	R250-S277 PolarHBondContact NH2-OG 3.37Å; T275-S277 PolarHBondContact O-N 2.92Å; T275-S277 VanDerWaalsContact O-N 3.15Å; T275-S277 PolarHBondContact OG1-OG 3.39Å
278	D	93.2	Very high	96.3	Very high	47 Å²	47	15.4 Å²	15.4	25%	0.251	10%	0.101	S	C	.	.	S	Bend	trans	-84.9	152.3	-176.9	-55.1	-33.8	0	0	0	109.8	T275 A276 L282 Q283	T275-D278 WeakPolarHBondContact CA-OD2 3.43Å; T275-D278 PolarHBondContact N-OD2 3.17Å; T275-D278 WeakPolarHBondContact O-CB 3.34Å; T275-D278 PolarHBondContact O-N 2.98Å; T275-D278 VanDerWaalsContact OG1-CG 3.26Å; T275-D278 PolarHBondContact OG1-OD1 3.35Å; T275-D278 PolarHBondContact OG1-OD2 2.83Å; A276-D278 VanDerWaalsContact C-N 3.32Å; D278-L282 HydrophobicContact CB-CB 4.46Å; D278-L282 HydrophobicContact CB-CD1 4.16Å; D278-Q283 PolarHBondContact O-NE2 3.34Å
279	A	92.8	Very high	96.3	Very high	28 Å²	28	15.1 Å²	15.1	23%	0.231	10%	0.1	C	C	.	.			trans	-57.7	143.6	-177.8	0	0	0	0	0	111.3	P281 L282 Q283	A279-P281 WeakPolarHBondContact O-CD 3.42Å; A279-L282 WeakPolarHBondContact O-CB 3.39Å; A279-L282 PolarHBondContact O-N 3.07Å; A279-Q283 PolarHBondContact O-N 2.57Å
280	A	93.7	Very high	96.2	Very high	12 Å²	12	15.1 Å²	15.1	10%	0.099	10%	0.1	C	C	.	.	H	α-helix	trans	-46	-37.4	176.9	0	0	0	0	0	114.4	L282 Q283 Y284 A317 M321	A280-L282 VanDerWaalsContact C-N 3.32Å; A280-L282 PolarHBondContact O-N 2.91Å; A280-Q283 WeakPolarHBondContact O-CB 3.45Å; A280-Q283 PolarHBondContact O-N 3.35Å; A280-Q283 VanDerWaalsContact O-N 3.16Å; A280-Y284 PolarHBondContact O-N 3.12Å; A280-A317 HydrophobicContact CB-CB 4.2Å; A280-M321 HydrophobicContact CB-CG 4.39Å
281	P	93.9	Very high	96.2	Very high	7 Å²	7	15.1 Å²	15.1	5%	0.045	10%	0.1	C	C	.	.	H	α-helix	trans	-65.5	-32.2	179.1	-23.3	38.6	0	0	0	114.1	V114 F116 A279 Y284 L285 M321	V114-P281 HydrophobicContact CB-CG 4.38Å; V114-P281 HydrophobicContact CG1-CB 3.3Å; V114-P281 HydrophobicContact CG1-CG 2.9Å; F116-P281 HydrophobicContact CD1-CB 3.71Å; F116-P281 HydrophobicContact CE1-CB 3.65Å; A279-P281 WeakPolarHBondContact O-CD 3.42Å; P281-Y284 WeakPolarHBondContact O-CB 3.28Å; P281-L285 VanDerWaalsContact O-CB 3.25Å; P281-L285 WeakPolarHBondContact O-CB 3.34Å; P281-L285 PolarHBondContact O-N 2.88Å; P281-M321 HydrophobicContact CB-CE 4.43Å; P281-M321 HydrophobicContact CB-SD 4.18Å; P281-M321 HydrophobicContact CG-CG 4.36Å; P281-M321 HydrophobicContact CG-SD 4.21Å
282	L	94.8	Very high	96.2	Very high	22 Å²	22	15.1 Å²	15.1	12%	0.115	10%	0.1	C	C	.	.	H	α-helix	trans	-70.7	-38.8	174	-67.7	169.5	0	0	0	110.8	F116 A150 L151 A274 D278 A279 A280 Y284 L285 A286	F116-L282 HydrophobicContact CB-CD2 4.03Å; F116-L282 HydrophobicContact CB-CG 4.41Å; F116-L282 HydrophobicContact CD1-CD2 3.93Å; F116-L282 HydrophobicContact CD1-CG 4.22Å; F116-L282 HydrophobicContact CG-CD2 4.19Å; A150-L282 HydrophobicContact CB-CB 4.14Å; A150-L282 HydrophobicContact CB-CD2 3.94Å; A150-L282 VanDerWaalsContact CB-O 3.3Å; A150-L282 WeakPolarHBondContact CB-O 3.45Å; L151-L282 HydrophobicContact CD1-CD2 4.31Å; L151-L282 HydrophobicContact CG-CD2 4.02Å; A274-L282 HydrophobicContact CB-CB 4.44Å; D278-L282 HydrophobicContact CB-CB 4.46Å; D278-L282 HydrophobicContact CB-CD1 4.16Å; A279-L282 WeakPolarHBondContact O-CB 3.39Å; A279-L282 PolarHBondContact O-N 3.07Å; A280-L282 VanDerWaalsContact C-N 3.32Å; A280-L282 PolarHBondContact O-N 2.91Å; L282-Y284 VanDerWaalsContact C-N 3.34Å; L282-L285 PolarHBondContact O-N 3.43Å; L282-A286 WeakPolarHBondContact O-CB 3.3Å; L282-A286 PolarHBondContact O-N 3.31Å
283	Q	96.8	Very high	96.2	Very high	28 Å²	28	15.1 Å²	15.1	13%	0.131	10%	0.1	C	C	.	.	H	α-helix	trans	-65.4	-38.3	175.2	-59.1	-178.3	34.5	0	0	111.8	I246 A274 T275 D278 A279 A280 P287 A317	I246-Q283 HydrophobicContact CG2-CB 4.2Å; A274-Q283 HydrophobicContact CB-CB 4.49Å; A274-Q283 HydrophobicContact CB-CG 4.17Å; T275-Q283 PolarHBondContact O-NE2 2.77Å; D278-Q283 PolarHBondContact O-NE2 3.34Å; A279-Q283 PolarHBondContact O-N 2.57Å; A280-Q283 WeakPolarHBondContact O-CB 3.45Å; A280-Q283 PolarHBondContact O-N 3.35Å; A280-Q283 VanDerWaalsContact O-N 3.16Å; Q283-P287 WeakPolarHBondContact O-CD 3.31Å; Q283-A317 HydrophobicContact CB-CB 3.94Å
284	Y	95.7	Very high	96.2	Very high	11 Å²	11	14.9 Å²	14.9	4%	0.043	10%	0.098	C	C	.	.	H	α-helix	trans	-61.6	-43.5	172.1	164.3	-92.9	0	0	0	112.4	M102 A280 P281 L282 Y288 Q314 Y318 M321 L341 R344	M102-Y284 HydrophobicContact CE-CD1 4.48Å; M102-Y284 HydrophobicContact CE-CE1 4.06Å; A280-Y284 PolarHBondContact O-N 3.12Å; P281-Y284 WeakPolarHBondContact O-CB 3.28Å; L282-Y284 VanDerWaalsContact C-N 3.34Å; Y284-Y288 HydrophobicContact CE2-CE2 4.5Å; Y284-Q314 PolarHBondContact O-NE2 2.82Å; Y284-Y318 AromaticContact CD2-CD2 3.52Å; Y284-Y318 HydrophobicContact CD2-CD2 3.52Å; Y284-Y318 HydrophobicContact CD2-CE2 4.38Å; Y284-Y318 AromaticContact CD2-CG 4Å; Y284-Y318 HydrophobicContact CD2-CG 4Å; Y284-Y318 AromaticContact CE2-CD2 3.26Å; Y284-Y318 HydrophobicContact CE2-CD2 3.26Å; Y284-Y318 AromaticContact CE2-CE2 3.7Å; Y284-Y318 HydrophobicContact CE2-CE2 3.7Å; Y284-Y318 AromaticContact CE2-CG 3.93Å; Y284-Y318 HydrophobicContact CE2-CG 3.93Å; Y284-M321 HydrophobicContact CD1-CE 4.11Å; Y284-M321 HydrophobicContact CD1-SD 4.41Å; Y284-M321 HydrophobicContact CD2-CE 4.49Å; Y284-M321 HydrophobicContact CD2-SD 4.33Å; Y284-M321 HydrophobicContact CG-CE 4.09Å; Y284-M321 HydrophobicContact CG-SD 3.88Å; Y284-L341 HydrophobicContact CD2-CD1 4.03Å; Y284-L341 HydrophobicContact CE2-CD1 3.28Å; Y284-R344 PolarHBondContact OH-NH2 2.88Å
285	L	96.2	Very high	96.2	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-77.8	-35.6	-173	-178.9	63.2	0	0	0	113.2	F116 V135 A150 L151 V169 P281 L282 P287 Y288 S289	F116-L285 HydrophobicContact CE1-CD2 4.24Å; F116-L285 HydrophobicContact CZ-CD2 4.07Å; V135-L285 HydrophobicContact CG1-CD1 3.98Å; V135-L285 HydrophobicContact CG1-CD2 4.01Å; A150-L285 HydrophobicContact CB-CB 4.41Å; L151-L285 HydrophobicContact CD2-CD2 3.73Å; V169-L285 HydrophobicContact CB-CD1 4.26Å; V169-L285 HydrophobicContact CG1-CD1 4.28Å; V169-L285 HydrophobicContact CG2-CD1 3.78Å; P281-L285 VanDerWaalsContact O-CB 3.25Å; P281-L285 WeakPolarHBondContact O-CB 3.34Å; P281-L285 PolarHBondContact O-N 2.88Å; L282-L285 PolarHBondContact O-N 3.43Å; L285-P287 VanDerWaalsContact C-CD 3.49Å; L285-P287 VanDerWaalsContact C-N 3.33Å; L285-P287 VanDerWaalsContact O-N 3.12Å; L285-Y288 WeakPolarHBondContact O-CB 3.48Å; L285-Y288 PolarHBondContact O-N 2.86Å; L285-S289 PolarHBondContact O-N 2.85Å; L285-S289 VanDerWaalsContact O-N 3.11Å; L285-S289 PolarHBondContact O-OG 3.16Å
286	A	97.9	Very high	96.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-49.7	-41.8	-171.5	0	0	0	0	0	115	A150 V244 V272 A274 L282 Y288 S289 G290	A150-A286 HydrophobicContact CB-CB 3.92Å; V244-A286 HydrophobicContact CG1-CB 4.01Å; V272-A286 HydrophobicContact CG1-CB 4.21Å; A274-A286 HydrophobicContact CB-CB 3.69Å; L282-A286 WeakPolarHBondContact O-CB 3.3Å; L282-A286 PolarHBondContact O-N 3.31Å; A286-Y288 PolarHBondContact O-N 3.29Å; A286-S289 PolarHBondContact O-N 3.16Å; A286-G290 PolarHBondContact O-N 2.89Å
287	P	98.4	Very high	96.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64	-37.1	176.6	-28.3	41.9	0	0	0	113.8	V244 I246 Q283 L285 C291 Y308 L311 Q314 L345	V244-P287 HydrophobicContact CG1-CG 4.4Å; I246-P287 HydrophobicContact CD1-CG 3.47Å; I246-P287 VanDerWaalsContact CD1-CG 3.47Å; I246-P287 HydrophobicContact CG1-CG 3.89Å; Q283-P287 WeakPolarHBondContact O-CD 3.31Å; L285-P287 VanDerWaalsContact C-CD 3.49Å; L285-P287 VanDerWaalsContact C-N 3.33Å; L285-P287 VanDerWaalsContact O-N 3.12Å; P287-C291 VanDerWaalsContact O-CB 3.22Å; P287-C291 WeakPolarHBondContact O-CB 3.39Å; P287-C291 PolarHBondContact O-N 3.01Å; P287-Y308 HydrophobicContact CB-CD1 3.81Å; P287-Y308 HydrophobicContact CB-CE1 3.93Å; P287-L311 HydrophobicContact CB-CD2 4.38Å; P287-L311 HydrophobicContact CG-CD2 4.31Å; P287-Q314 HydrophobicContact CG-CB 4.42Å; P287-Q314 VanDerWaalsContact CG-CD 3.5Å; P287-Q314 HydrophobicContact CG-CG 3.99Å; P287-L345 HydrophobicContact CB-CD1 4.2Å; P287-L345 HydrophobicContact CB-CD2 3.6Å
288	Y	98	Very high	96.6	Very high	7 Å²	7	9.6 Å²	9.6	3%	0.027	5%	0.053	C	C	.	.	H	α-helix	trans	-69.6	-38.8	176.2	-67.6	-68.6	0	0	0	112.2	Y284 L285 A286 C291 S292 L341 R344 L345	Y284-Y288 HydrophobicContact CE2-CE2 4.5Å; L285-Y288 WeakPolarHBondContact O-CB 3.48Å; L285-Y288 PolarHBondContact O-N 2.86Å; A286-Y288 PolarHBondContact O-N 3.29Å; Y288-C291 PolarHBondContact O-N 3.14Å; Y288-S292 PolarHBondContact O-N 2.78Å; Y288-S292 PolarHBondContact O-OG 2.86Å; Y288-L341 HydrophobicContact CE2-CD1 3.94Å; Y288-L341 WeakPolarHBondContact OH-CD1 3.28Å; Y288-L341 PolarHBondContact OH-O 2.79Å; Y288-R344 HydrophobicContact CE1-CG 4.03Å; Y288-R344 PolarHBondContact OH-NE 3.29Å; Y288-R344 PolarHBondContact OH-NH2 3.44Å; Y288-L345 HydrophobicContact CD1-CB 4.46Å; Y288-L345 HydrophobicContact CD1-CD1 3.76Å; Y288-L345 HydrophobicContact CE1-CB 3.77Å; Y288-L345 HydrophobicContact CE1-CD1 3.94Å; Y288-L345 HydrophobicContact CE1-CG 4.41Å; Y288-L345 HydrophobicContact CG-CD1 4.37Å
289	S	97.8	Very high	96.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63.4	-49.8	174.5	-59.1	0	0	0	0	111.3	A150 L285 A286 C291 S292 M293	A150-S289 VanDerWaalsContact O-CB 3.3Å; A150-S289 WeakPolarHBondContact O-CB 3.35Å; A150-S289 PolarHBondContact O-OG 2.9Å; L285-S289 PolarHBondContact O-N 2.85Å; L285-S289 VanDerWaalsContact O-N 3.11Å; L285-S289 PolarHBondContact O-OG 3.16Å; A286-S289 PolarHBondContact O-N 3.16Å; S289-C291 VanDerWaalsContact C-N 3.32Å; S289-C291 PolarHBondContact O-N 2.97Å; S289-S292 PolarHBondContact O-N 3Å; S289-M293 WeakPolarHBondContact O-CG 3.47Å; S289-M293 PolarHBondContact O-N 3.42Å
290	G	98.1	Very high	96.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.7	-40.7	175.9	0	0	0	0	0	112.7	A286 S292 M293 G294 I306	A286-G290 PolarHBondContact O-N 2.89Å; G290-S292 VanDerWaalsContact C-N 3.34Å; G290-S292 PolarHBondContact O-N 3.2Å; G290-M293 PolarHBondContact O-N 3.04Å; G290-G294 PolarHBondContact O-N 3.29Å; G290-I306 WeakPolarHBondContact O-CD1 3.49Å
291	C	98.4	Very high	97	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-58.8	-46.4	175.5	-172.7	0	0	0	0	111.1	P287 Y288 S289 M293 G294 E295 I306 L345 R348	P287-C291 VanDerWaalsContact O-CB 3.22Å; P287-C291 WeakPolarHBondContact O-CB 3.39Å; P287-C291 PolarHBondContact O-N 3.01Å; Y288-C291 PolarHBondContact O-N 3.14Å; S289-C291 VanDerWaalsContact C-N 3.32Å; S289-C291 PolarHBondContact O-N 2.97Å; C291-M293 VanDerWaalsContact C-N 3.31Å; C291-M293 PolarHBondContact O-N 2.99Å; C291-G294 CarbonylContact O-C 3.55Å; C291-G294 WeakPolarHBondContact O-CA 3.46Å; C291-G294 PolarHBondContact O-N 3.33Å; C291-E295 WeakPolarHBondContact O-CG 3.32Å; C291-E295 PolarHBondContact O-N 3.04Å; C291-I306 HydrophobicContact CB-CD1 4.35Å; C291-L345 HydrophobicContact CB-CD1 3.85Å; C291-R348 VanDerWaalsContact SG-CZ 3.6Å; C291-R348 PolarHBondContact SG-NE 2.77Å
292	S	97.9	Very high	97.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.5	-34.7	179.8	-51.2	0	0	0	0	112.8	R168 V169 Y288 S289 G290 F296 R348	R168-S292 PolarHBondContact O-OG 3.31Å; V169-S292 WeakPolarHBondContact CA-OG 3.44Å; V169-S292 PolarHBondContact O-OG 3.42Å; Y288-S292 PolarHBondContact O-N 2.78Å; Y288-S292 PolarHBondContact O-OG 2.86Å; S289-S292 PolarHBondContact O-N 3Å; G290-S292 VanDerWaalsContact C-N 3.34Å; G290-S292 PolarHBondContact O-N 3.2Å; S292-F296 PolarHBondContact O-N 3.4Å; S292-R348 PolarHBondContact OG-NH2 3.22Å
293	M	97.8	Very high	97.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66.1	-38.5	171	-64.7	171.1	-175.4	0	0	111.9	V137 V139 L143 V148 I270 V272 S289 G290 C291 F296 F297	V137-M293 HydrophobicContact CB-CE 4.35Å; V137-M293 HydrophobicContact CG2-CE 4.4Å; V139-M293 HydrophobicContact CG1-CG 4.37Å; L143-M293 HydrophobicContact CD1-CG 4.14Å; L143-M293 HydrophobicContact CD1-SD 4.4Å; L143-M293 HydrophobicContact CD2-CE 4.37Å; V148-M293 HydrophobicContact CG2-CE 3.82Å; V148-M293 HydrophobicContact CG2-SD 4.12Å; I270-M293 HydrophobicContact CD1-CB 4.29Å; I270-M293 HydrophobicContact CG2-SD 4.07Å; V272-M293 HydrophobicContact CG2-CE 4.47Å; V272-M293 HydrophobicContact CG2-SD 3.66Å; S289-M293 WeakPolarHBondContact O-CG 3.47Å; S289-M293 PolarHBondContact O-N 3.42Å; G290-M293 PolarHBondContact O-N 3.04Å; C291-M293 VanDerWaalsContact C-N 3.31Å; C291-M293 PolarHBondContact O-N 2.99Å; M293-F296 WeakPolarHBondContact O-CB 3.16Å; M293-F297 WeakPolarHBondContact O-CD2 3.33Å
294	G	97.7	Very high	97.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-69.3	-37.5	174.6	0	0	0	0	0	113.8	G290 C291 F296 F297 R298	G290-G294 PolarHBondContact O-N 3.29Å; C291-G294 CarbonylContact O-C 3.55Å; C291-G294 WeakPolarHBondContact O-CA 3.46Å; C291-G294 PolarHBondContact O-N 3.33Å; G294-F296 PolarHBondContact O-N 2.98Å; G294-F297 PolarHBondContact O-N 3.02Å; G294-F297 VanDerWaalsContact O-N 3.12Å; G294-R298 PolarHBondContact O-N 3.16Å
295	E	97.9	Very high	97.5	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-63	-30.8	177.4	-73.2	-172.7	145.3	0	0	112.9	C291 F297 R298 D299 R348 L361	C291-E295 WeakPolarHBondContact O-CG 3.32Å; C291-E295 PolarHBondContact O-N 3.04Å; E295-F297 PolarHBondContact O-N 3.35Å; E295-R298 PolarHBondContact O-N 2.97Å; E295-R298 IonicContact OE1-CZ 3.48Å; E295-R298 IonicContact OE1-NH1 3.54Å; E295-R298 PolarHBondContact OE1-NH1 2.86Å; E295-R298 IonicContact OE1-NH2 3.27Å; E295-R298 PolarHBondContact OE1-NH2 3.43Å; E295-D299 WeakPolarHBondContact O-CB 3.34Å; E295-D299 PolarHBondContact O-N 3.36Å; E295-R348 VanDerWaalsContact CD-NE 3.35Å; E295-R348 WeakPolarHBondContact OE1-CB 3.49Å; E295-R348 IonicContact OE1-CZ 2.76Å; E295-R348 IonicContact OE1-NE 3.82Å; E295-R348 PolarHBondContact OE1-NE 3.42Å; E295-R348 IonicContact OE1-NH2 2.65Å; E295-R348 IonicContact OE2-CZ 2.67Å; E295-R348 IonicContact OE2-NE 3.48Å; E295-R348 IonicContact OE2-NH2 2.77Å; E295-R348 PolarHBondContact OE2-NH2 3.26Å; E295-L361 HydrophobicContact CG-CD2 4.15Å
296	F	97	Very high	97.6	Very high	23 Å²	23	12.9 Å²	12.9	10%	0.101	7%	0.071	C	C	.	.	H	α-helix	trans	-53.6	-44.3	172.5	173.9	-91.1	0	0	0	111.4	V139 E141 I165 S292 M293 G294 N300	V139-F296 HydrophobicContact CB-CB 4.05Å; V139-F296 HydrophobicContact CB-CD2 4.3Å; V139-F296 HydrophobicContact CB-CG 4.35Å; V139-F296 HydrophobicContact CG2-CB 4.39Å; V139-F296 HydrophobicContact CG2-CD2 3.9Å; V139-F296 HydrophobicContact CG2-CG 4.44Å; E141-F296 HydrophobicContact CG-CE1 3.98Å; I165-F296 HydrophobicContact CD1-CE2 4.44Å; S292-F296 PolarHBondContact O-N 3.4Å; M293-F296 WeakPolarHBondContact O-CB 3.16Å; G294-F296 PolarHBondContact O-N 2.98Å; F296-N300 WeakPolarHBondContact CE2-ND2 3.39Å; F296-N300 WeakPolarHBondContact O-CB 3.27Å; F296-N300 PolarHBondContact O-N 2.87Å; F296-N300 PolarHBondContact O-ND2 2.97Å
297	F	97.4	Very high	97.7	Very high	1 Å²	1	12.9 Å²	12.9	0%	0.004	7%	0.071	C	C	.	.	H	α-helix	trans	-69.6	-46	177.7	-61	-78.2	0	0	0	111.5	E141 L144 Y240 I242 I270 M293 G294 E295 D299 N300 K302 A304	E141-F297 HydrophobicContact CG-CE1 4.12Å; L144-F297 HydrophobicContact CD1-CE1 4.38Å; L144-F297 HydrophobicContact CD1-CZ 4.39Å; L144-F297 HydrophobicContact CD2-CE1 4.36Å; L144-F297 HydrophobicContact CD2-CZ 3.74Å; L144-F297 HydrophobicContact CG-CZ 4.14Å; Y240-F297 HydrophobicContact CD1-CD1 4.13Å; Y240-F297 AromaticContact CD1-CE1 3.73Å; Y240-F297 HydrophobicContact CD1-CE1 3.73Å; Y240-F297 HydrophobicContact CD1-CZ 4.33Å; Y240-F297 AromaticContact CD2-CD1 3.62Å; Y240-F297 HydrophobicContact CD2-CD1 3.62Å; Y240-F297 HydrophobicContact CD2-CE1 4.1Å; Y240-F297 HydrophobicContact CD2-CG 4.21Å; Y240-F297 HydrophobicContact CE1-CE1 4.2Å; Y240-F297 HydrophobicContact CE2-CD1 4.19Å; Y240-F297 AromaticContact CG-CD1 3.6Å; Y240-F297 HydrophobicContact CG-CD1 3.6Å; Y240-F297 AromaticContact CG-CE1 3.65Å; Y240-F297 HydrophobicContact CG-CE1 3.65Å; Y240-F297 HydrophobicContact CG-CG 4.18Å; Y240-F297 HydrophobicContact CG-CZ 4.28Å; I242-F297 HydrophobicContact CD1-CD2 4.47Å; I270-F297 HydrophobicContact CD1-CE2 3.89Å; I270-F297 HydrophobicContact CD1-CZ 4.27Å; M293-F297 WeakPolarHBondContact O-CD2 3.33Å; G294-F297 PolarHBondContact O-N 3.02Å; G294-F297 VanDerWaalsContact O-N 3.12Å; E295-F297 PolarHBondContact O-N 3.35Å; F297-D299 VanDerWaalsContact C-N 3.32Å; F297-D299 PolarHBondContact O-N 3.16Å; F297-N300 PolarHBondContact O-N 3.14Å; F297-K302 HydrophobicContact CB-CB 4.04Å; F297-K302 HydrophobicContact CD1-CD 4.13Å; F297-K302 CarbonylContact O-C 3.6Å; F297-K302 WeakPolarHBondContact O-CA 3.49Å; F297-K302 WeakPolarHBondContact O-CB 3.37Å; F297-K302 PolarHBondContact O-N 3.19Å; F297-A304 HydrophobicContact CB-CB 3.89Å; F297-A304 HydrophobicContact CD2-CB 4.34Å; F297-A304 HydrophobicContact CG-CB 4.42Å
298	R	97.3	Very high	97.7	Very high	13 Å²	13	12.9 Å²	12.9	5%	0.049	7%	0.071	C	C	.	.	H	α-helix	trans	-53.6	-48.2	177.7	-178.7	-164	70.7	-157.4	-7.6	111.9	G294 E295 N300 G301 R348 M352 G359 L361	G294-R298 PolarHBondContact O-N 3.16Å; E295-R298 PolarHBondContact O-N 2.97Å; E295-R298 IonicContact OE1-CZ 3.48Å; E295-R298 IonicContact OE1-NH1 3.54Å; E295-R298 PolarHBondContact OE1-NH1 2.86Å; E295-R298 IonicContact OE1-NH2 3.27Å; E295-R298 PolarHBondContact OE1-NH2 3.43Å; R298-N300 VanDerWaalsContact C-N 3.28Å; R298-N300 PolarHBondContact O-N 3.16Å; R298-G301 PolarHBondContact O-N 2.96Å; R298-R348 PolarHBondContact NH1-O 2.98Å; R298-M352 HydrophobicContact CG-CG 3.75Å; R298-G359 VanDerWaalsContact O-CA 3.31Å; R298-G359 WeakPolarHBondContact O-CA 3.14Å; R298-L361 HydrophobicContact CB-CB 4.23Å; R298-L361 HydrophobicContact CG-CB 4.4Å
299	D	96.4	Very high	97.7	Very high	58 Å²	58	12.8 Å²	12.8	31%	0.31	7%	0.071	S	C	.	.	H	α-helix	trans	-77.6	-15.8	-173.3	-61.2	-17.3	0	0	0	112.8	R167 E295 F297	R167-D299 IonicContact CZ-OD2 2.94Å; R167-D299 IonicContact NH1-OD2 3.54Å; R167-D299 PolarHBondContact NH1-OD2 3.42Å; E295-D299 WeakPolarHBondContact O-CB 3.34Å; E295-D299 PolarHBondContact O-N 3.36Å; F297-D299 VanDerWaalsContact C-N 3.32Å; F297-D299 PolarHBondContact O-N 3.16Å
300	N	95.6	Very high	97.6	Very high	91 Å²	91	12.9 Å²	12.9	49%	0.487	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	24.4	173.8	-71.9	-71.7	0	0	0	112.3	F296 F297 R298 K302	F296-N300 WeakPolarHBondContact CE2-ND2 3.39Å; F296-N300 WeakPolarHBondContact O-CB 3.27Å; F296-N300 PolarHBondContact O-N 2.87Å; F296-N300 PolarHBondContact O-ND2 2.97Å; F297-N300 PolarHBondContact O-N 3.14Å; R298-N300 VanDerWaalsContact C-N 3.28Å; R298-N300 PolarHBondContact O-N 3.16Å; N300-K302 PolarHBondContact O-N 3.26Å
301	G	95.2	Very high	97.6	Very high	29 Å²	29	12.9 Å²	12.9	30%	0.299	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	12.4	176	0	0	0	0	0	115.3	R298 G357	R298-G301 PolarHBondContact O-N 2.96Å; G301-G357 WeakPolarHBondContact CA-O 3.34Å
302	K	96.9	Very high	97.5	Very high	37 Å²	37	13.8 Å²	13.8	16%	0.161	8%	0.078	C	C	.	.			trans	-97.2	167.3	176.3	-64.2	178.2	167.8	-159.2	0	110.6	E141 E235 Y240 F297 N300 G359 S360	E141-K302 IonicContact OE1-NZ 2.93Å; E141-K302 PolarHBondContact OE1-NZ 3.47Å; E141-K302 IonicContact OE2-NZ 3.23Å; E235-K302 IonicContact OE2-NZ 3.41Å; Y240-K302 HydrophobicContact CD2-CB 4.18Å; Y240-K302 HydrophobicContact CD2-CD 4.36Å; Y240-K302 HydrophobicContact CE2-CB 3.97Å; Y240-K302 HydrophobicContact CE2-CD 3.62Å; Y240-K302 HydrophobicContact CE2-CG 4.1Å; Y240-K302 PolarHBondContact OH-NZ 2.89Å; Y240-K302 VanDerWaalsContact OH-NZ 3.13Å; F297-K302 HydrophobicContact CB-CB 4.04Å; F297-K302 HydrophobicContact CD1-CD 4.13Å; F297-K302 CarbonylContact O-C 3.6Å; F297-K302 WeakPolarHBondContact O-CA 3.49Å; F297-K302 WeakPolarHBondContact O-CB 3.37Å; F297-K302 PolarHBondContact O-N 3.19Å; N300-K302 PolarHBondContact O-N 3.26Å; K302-G359 CarbonylContact O-C 3.58Å; K302-G359 WeakPolarHBondContact O-CA 3.44Å; K302-S360 PolarHBondContact O-N 3.29Å
303	H	98.2	Very high	97.5	Very high	11 Å²	11	16.3 Å²	16.3	5%	0.051	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133	177.6	-55.6	-79.1	0	0	0	110.2	E184 R201 K236 L239 Y240 S360	E184-H303 IonicContact OE2-CE1 2.62Å; E184-H303 PolarHBondContact OE2-CE1 2.87Å; R201-H303 PolarHBondContact NH1-CD2 2.93Å; R201-H303 PolarHBondContact NH1-NE2 3.33Å; K236-H303 PolarHBondContact O-CD2 2.89Å; K236-H303 PolarHBondContact O-NE2 3.41Å; L239-H303 WeakPolarHBondContact CA-O 3.49Å; L239-H303 HydrophobicContact CD1-CB 3.57Å; Y240-H303 WeakPolarHBondContact CD2-O 3.49Å; Y240-H303 PolarHBondContact N-O 3.38Å; H303-S360 CarbonylContact C-O 3.58Å; H303-S360 WeakPolarHBondContact CA-O 3.38Å; H303-S360 PolarHBondContact ND1-OG 2.83Å
304	A	98.4	Very high	97.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	152.4	175.7	0	0	0	0	0	112.4	Y240 I242 F297 S360 L361 T362	Y240-A304 CarbonylContact O-C 3.5Å; Y240-A304 WeakPolarHBondContact O-CA 3.37Å; I242-A304 HydrophobicContact CD1-CB 3.97Å; F297-A304 HydrophobicContact CB-CB 3.89Å; F297-A304 HydrophobicContact CD2-CB 4.34Å; F297-A304 HydrophobicContact CG-CB 4.42Å; A304-S360 PolarHBondContact N-O 3.04Å; A304-L361 HydrophobicContact CB-CD1 3.79Å; A304-L361 WeakPolarHBondContact O-CA 3.34Å; A304-T362 PolarHBondContact O-N 3.39Å
305	L	98.8	Very high	97.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.7	171	167.2	65	0	0	0	108.3	M186 T222 L239 Y240 C241 I242 I307 T362 L364	M186-L305 HydrophobicContact CE-CD1 4.34Å; M186-L305 HydrophobicContact SD-CD2 4.45Å; T222-L305 HydrophobicContact CG2-CD2 3.56Å; L239-L305 HydrophobicContact CD2-CB 3.8Å; L239-L305 HydrophobicContact CD2-CD2 4.38Å; L239-L305 HydrophobicContact CG-CB 4.11Å; Y240-L305 PolarHBondContact O-N 3.24Å; C241-L305 CarbonylContact C-O 3.52Å; C241-L305 WeakPolarHBondContact CA-O 3.37Å; I242-L305 PolarHBondContact N-O 2.96Å; L305-I307 HydrophobicContact CD2-CD1 4.26Å; L305-I307 HydrophobicContact CG-CD1 4.46Å; L305-T362 CarbonylContact C-O 3.59Å; L305-T362 WeakPolarHBondContact CA-O 3.38Å; L305-T362 HydrophobicContact CD1-CG2 4.03Å; L305-L364 HydrophobicContact CD1-CD1 3.72Å; L305-L364 HydrophobicContact CD1-CG 3.71Å
306	I	98.8	Very high	97.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.7	172.7	-173.4	158.8	0	0	0	111.2	I242 V244 G290 C291 Y308 L361 T362 A363 L364	I242-I306 HydrophobicContact CB-CB 4.3Å; I242-I306 HydrophobicContact CB-CD1 4.32Å; I242-I306 HydrophobicContact CB-CG1 4.1Å; I242-I306 HydrophobicContact CG2-CD1 4.06Å; I242-I306 HydrophobicContact CG2-CG1 4.17Å; I242-I306 CarbonylContact O-C 3.59Å; I242-I306 WeakPolarHBondContact O-CA 3.35Å; V244-I306 HydrophobicContact CG2-CD1 4.01Å; V244-I306 HydrophobicContact CG2-CG1 4.14Å; G290-I306 WeakPolarHBondContact O-CD1 3.49Å; C291-I306 HydrophobicContact CB-CD1 4.35Å; I306-Y308 HydrophobicContact CD1-CD1 4.31Å; I306-Y308 HydrophobicContact CD1-CE1 3.44Å; I306-Y308 VanDerWaalsContact CD1-CE1 3.44Å; I306-Y308 WeakPolarHBondContact CD1-OH 3.41Å; I306-Y308 HydrophobicContact CG1-CD1 4.25Å; I306-Y308 HydrophobicContact CG1-CE1 3.74Å; I306-Y308 HydrophobicContact CG1-CE2 4.23Å; I306-Y308 HydrophobicContact CG2-CE2 3.94Å; I306-L361 HydrophobicContact CB-CD1 4.06Å; I306-L361 HydrophobicContact CG2-CD1 3.76Å; I306-L361 HydrophobicContact CG2-CD2 4.42Å; I306-L361 HydrophobicContact CG2-CG 4.07Å; I306-T362 WeakPolarHBondContact CG2-O 3.29Å; I306-T362 PolarHBondContact N-O 3.4Å; I306-A363 HydrophobicContact CG2-CB 3.86Å; I306-A363 CarbonylContact O-C 3.57Å; I306-A363 WeakPolarHBondContact O-CA 3.35Å; I306-L364 PolarHBondContact O-N 2.9Å
307	I	98.9	Very high	97.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.6	175.2	-67.8	148.2	0	0	0	108.5	A219 I223 I242 Y243 V244 L305 L364 V366	A219-I307 HydrophobicContact CB-CD1 3.9Å; A219-I307 HydrophobicContact CB-CG1 4.21Å; A219-I307 HydrophobicContact CB-CG2 3.84Å; I223-I307 HydrophobicContact CD1-CD1 3.61Å; I223-I307 HydrophobicContact CG1-CD1 3.65Å; I242-I307 PolarHBondContact O-N 3.17Å; Y243-I307 HydrophobicContact CD2-CB 4Å; Y243-I307 HydrophobicContact CD2-CD1 4.33Å; Y243-I307 HydrophobicContact CD2-CG2 3.75Å; Y243-I307 HydrophobicContact CE2-CG2 3.77Å; V244-I307 WeakPolarHBondContact CB-O 3.48Å; V244-I307 PolarHBondContact N-O 3.04Å; L305-I307 HydrophobicContact CD2-CD1 4.26Å; L305-I307 HydrophobicContact CG-CD1 4.46Å; I307-L364 WeakPolarHBondContact CA-O 3.42Å; I307-L364 HydrophobicContact CG1-CB 3.93Å; I307-L364 HydrophobicContact CG1-CD1 4.15Å; I307-L364 HydrophobicContact CG1-CG 4.45Å; I307-V366 HydrophobicContact CG2-CG2 4.39Å
308	Y	98.8	Very high	97.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	108.3	176	-52	-77.7	0	0	0	110.1	V244 P287 I306 L311 L345 L346 A363 L364 P365 V366	V244-Y308 HydrophobicContact CB-CD1 4.14Å; V244-Y308 HydrophobicContact CG2-CD1 4.02Å; V244-Y308 HydrophobicContact CG2-CE1 4.29Å; P287-Y308 HydrophobicContact CB-CD1 3.81Å; P287-Y308 HydrophobicContact CB-CE1 3.93Å; I306-Y308 HydrophobicContact CD1-CD1 4.31Å; I306-Y308 HydrophobicContact CD1-CE1 3.44Å; I306-Y308 VanDerWaalsContact CD1-CE1 3.44Å; I306-Y308 WeakPolarHBondContact CD1-OH 3.41Å; I306-Y308 HydrophobicContact CG1-CD1 4.25Å; I306-Y308 HydrophobicContact CG1-CE1 3.74Å; I306-Y308 HydrophobicContact CG1-CE2 4.23Å; I306-Y308 HydrophobicContact CG2-CE2 3.94Å; Y308-L311 HydrophobicContact CD1-CD2 4.36Å; Y308-L311 HydrophobicContact CG-CD2 3.95Å; Y308-L311 HydrophobicContact CG-CG 4.43Å; Y308-L345 HydrophobicContact CE1-CD1 4.27Å; Y308-L345 HydrophobicContact CE1-CD2 4.28Å; Y308-L346 HydrophobicContact CD2-CD2 4.19Å; Y308-L346 HydrophobicContact CE2-CD2 3.81Å; Y308-A363 HydrophobicContact CE2-CB 4.1Å; Y308-L364 PolarHBondContact N-O 3.45Å; Y308-P365 HydrophobicContact CD2-CB 4.18Å; Y308-V366 WeakPolarHBondContact O-CA 3.34Å; Y308-V366 WeakPolarHBondContact O-CB 3.33Å; Y308-V366 WeakPolarHBondContact O-CG2 3.45Å; Y308-V366 PolarHBondContact O-N 3.45Å
309	D	97.8	Very high	97.2	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.021	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	88.4	-174	-165.7	-19.6	0	0	0	111.4	T216 Y243 V244 I246 Q248 V366	T216-D309 WeakPolarHBondContact CB-OD2 3.45Å; T216-D309 WeakPolarHBondContact CG2-OD2 3.38Å; T216-D309 PolarHBondContact OG1-OD2 2.84Å; Y243-D309 HydrophobicContact CE1-CB 4.42Å; Y243-D309 HydrophobicContact CE2-CB 4.08Å; Y243-D309 VanDerWaalsContact OH-CB 3.28Å; Y243-D309 WeakPolarHBondContact OH-CB 3.11Å; Y243-D309 PolarHBondContact OH-OD2 3.32Å; V244-D309 PolarHBondContact O-N 3.31Å; I246-D309 PolarHBondContact N-O 2.96Å; Q248-D309 WeakPolarHBondContact CG-O 3.4Å; Q248-D309 PolarHBondContact NE2-O 2.83Å; Q248-D309 PolarHBondContact NE2-OD1 2.87Å; D309-V366 HydrophobicContact CB-CG2 4.34Å
310	D	96.4	Very high	97.1	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.016	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	cis	-133	157.5	0.5	64.2	49.7	0	0	0	112.3	I246 S312 K313 Q314 V366	I246-D310 WeakPolarHBondContact CD1-O 3.43Å; D310-S312 VanDerWaalsContact C-N 3.25Å; D310-S312 PolarHBondContact O-N 3.31Å; D310-S312 WeakPolarHBondContact OD1-CB 3.37Å; D310-S312 PolarHBondContact OD1-N 3.42Å; D310-K313 PolarHBondContact O-N 2.94Å; D310-K313 WeakPolarHBondContact OD1-CB 3.41Å; D310-K313 VanDerWaalsContact OD1-CG 3.28Å; D310-K313 WeakPolarHBondContact OD1-CG 3.29Å; D310-K313 PolarHBondContact OD1-N 3.02Å; D310-K313 IonicContact OD1-NZ 3.58Å; D310-K313 IonicContact OD2-NZ 3.47Å; D310-K313 PolarHBondContact OD2-NZ 2.93Å; D310-Q314 PolarHBondContact O-N 2.77Å; D310-V366 HydrophobicContact CB-CB 4.02Å; D310-V366 HydrophobicContact CB-CG1 4.08Å; D310-V366 WeakPolarHBondContact CB-O 3.39Å
311	L	97.9	Very high	96.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-73.8	-17.9	-179.3	-65.7	-173.8	0	0	0	112.5	I246 P287 Y308 K313 Q314 A315 L345 L346 P365 V366 I367	I246-L311 HydrophobicContact CD1-CD2 4.13Å; P287-L311 HydrophobicContact CB-CD2 4.38Å; P287-L311 HydrophobicContact CG-CD2 4.31Å; Y308-L311 HydrophobicContact CD1-CD2 4.36Å; Y308-L311 HydrophobicContact CG-CD2 3.95Å; Y308-L311 HydrophobicContact CG-CG 4.43Å; L311-K313 VanDerWaalsContact C-N 3.31Å; L311-K313 PolarHBondContact O-N 3.43Å; L311-Q314 PolarHBondContact O-N 3.44Å; L311-A315 PolarHBondContact O-N 2.8Å; L311-L345 HydrophobicContact CD2-CD2 3.99Å; L311-L346 HydrophobicContact CD1-CD1 4.31Å; L311-L346 HydrophobicContact CD1-CD2 4.33Å; L311-P365 HydrophobicContact CD1-CB 3.49Å; L311-P365 VanDerWaalsContact CD1-CB 3.49Å; L311-P365 HydrophobicContact CG-CB 4.19Å; L311-V366 PolarHBondContact N-O 3.46Å; L311-I367 HydrophobicContact CB-CD1 3.69Å
312	S	96.6	Very high	96.7	Very high	19 Å²	19	18 Å²	18	13%	0.133	9%	0.086	C	C	.	.	H	α-helix	trans	-60.5	-44	172.6	-60	0	0	0	0	110.3	D310 A315 V316 I367 E368	D310-S312 VanDerWaalsContact C-N 3.25Å; D310-S312 PolarHBondContact O-N 3.31Å; D310-S312 WeakPolarHBondContact OD1-CB 3.37Å; D310-S312 PolarHBondContact OD1-N 3.42Å; S312-A315 PolarHBondContact O-N 3.42Å; S312-V316 WeakPolarHBondContact O-CG2 3.47Å; S312-V316 PolarHBondContact O-N 2.9Å; S312-V316 VanDerWaalsContact O-N 3.07Å; S312-I367 WeakPolarHBondContact OG-CD1 3.39Å; S312-E368 PolarHBondContact OG-N 2.95Å; S312-E368 VanDerWaalsContact OG-N 3.11Å; S312-E368 PolarHBondContact OG-O 3.4Å
313	K	97	Very high	96.5	Very high	53 Å²	53	20 Å²	20	23%	0.23	10%	0.098	C	C	.	.	H	α-helix	trans	-68.4	-35.3	175.8	-70.3	167.9	-176	118.5	0	112.7	I246 D310 L311 A315 V316 A317	I246-K313 HydrophobicContact CG2-CB 4.11Å; I246-K313 WeakPolarHBondContact O-CD 3.36Å; D310-K313 PolarHBondContact O-N 2.94Å; D310-K313 WeakPolarHBondContact OD1-CB 3.41Å; D310-K313 VanDerWaalsContact OD1-CG 3.28Å; D310-K313 WeakPolarHBondContact OD1-CG 3.29Å; D310-K313 PolarHBondContact OD1-N 3.02Å; D310-K313 IonicContact OD1-NZ 3.58Å; D310-K313 IonicContact OD2-NZ 3.47Å; D310-K313 PolarHBondContact OD2-NZ 2.93Å; L311-K313 VanDerWaalsContact C-N 3.31Å; L311-K313 PolarHBondContact O-N 3.43Å; K313-A315 VanDerWaalsContact C-N 3.34Å; K313-V316 PolarHBondContact O-N 3.33Å; K313-A317 WeakPolarHBondContact O-CB 3.44Å; K313-A317 PolarHBondContact O-N 2.86Å
314	Q	97.9	Very high	96.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.4	-45.6	172.3	-166.6	-165.1	14.2	0	0	111.1	I246 Y284 P287 D310 L311 V316 A317 Y318	I246-Q314 HydrophobicContact CG2-CB 4.23Å; Y284-Q314 PolarHBondContact O-NE2 2.82Å; P287-Q314 HydrophobicContact CG-CB 4.42Å; P287-Q314 VanDerWaalsContact CG-CD 3.5Å; P287-Q314 HydrophobicContact CG-CG 3.99Å; D310-Q314 PolarHBondContact O-N 2.77Å; L311-Q314 PolarHBondContact O-N 3.44Å; Q314-V316 VanDerWaalsContact C-N 3.33Å; Q314-V316 PolarHBondContact O-N 2.96Å; Q314-A317 PolarHBondContact O-N 3.27Å; Q314-Y318 PolarHBondContact O-N 2.85Å
315	A	97.1	Very high	95.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.5	-41.9	177.9	0	0	0	0	0	111.7	L311 S312 K313 Y318 R319 Y334 V338 I378	L311-A315 PolarHBondContact O-N 2.8Å; S312-A315 PolarHBondContact O-N 3.42Å; K313-A315 VanDerWaalsContact C-N 3.34Å; A315-Y318 PolarHBondContact O-N 3.35Å; A315-R319 WeakPolarHBondContact O-CB 3.44Å; A315-R319 PolarHBondContact O-N 2.98Å; A315-Y334 HydrophobicContact CB-CD1 4.39Å; A315-Y334 HydrophobicContact CB-CE1 3.72Å; A315-Y334 WeakPolarHBondContact O-CE1 3.35Å; A315-V338 HydrophobicContact CB-CG2 4.32Å; A315-I378 HydrophobicContact CB-CD1 3.79Å; A315-I378 HydrophobicContact CB-CG1 4Å; A315-I378 HydrophobicContact CB-CG2 4.32Å
316	V	96.8	Very high	95.1	Very high	61 Å²	61	31.8 Å²	31.8	37%	0.37	15%	0.148	S	C	.	.	H	α-helix	trans	-63.3	-43	176.1	171.8	0	0	0	0	111.3	S312 K313 Q314 R319 Q320	S312-V316 WeakPolarHBondContact O-CG2 3.47Å; S312-V316 PolarHBondContact O-N 2.9Å; S312-V316 VanDerWaalsContact O-N 3.07Å; K313-V316 PolarHBondContact O-N 3.33Å; Q314-V316 VanDerWaalsContact C-N 3.33Å; Q314-V316 PolarHBondContact O-N 2.96Å; V316-R319 WeakPolarHBondContact O-CB 3.32Å; V316-R319 PolarHBondContact O-N 3.26Å; V316-Q320 PolarHBondContact O-N 3.18Å
317	A	96	Very high	94.7	Very high	3 Å²	3	35.1 Å²	35.1	3%	0.025	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-43.3	175.4	0	0	0	0	0	111.6	A280 Q283 K313 Q314 R319 Q320 M321	A280-A317 HydrophobicContact CB-CB 4.2Å; Q283-A317 HydrophobicContact CB-CB 3.94Å; K313-A317 WeakPolarHBondContact O-CB 3.44Å; K313-A317 PolarHBondContact O-N 2.86Å; Q314-A317 PolarHBondContact O-N 3.27Å; A317-R319 PolarHBondContact O-N 2.98Å; A317-Q320 PolarHBondContact O-N 3.22Å; A317-M321 WeakPolarHBondContact O-CG 3.42Å; A317-M321 PolarHBondContact O-N 3.03Å
318	Y	95.5	Very high	94.4	Very high	12 Å²	12	40.5 Å²	40.5	5%	0.047	20%	0.195	C	C	.	.	H	α-helix	trans	-64.1	-41.3	176	-171.9	-130.8	0	0	0	112.3	Y284 Q314 A315 Q320 M321 S322 R327 P335 D337 L341	Y284-Y318 AromaticContact CD2-CD2 3.52Å; Y284-Y318 HydrophobicContact CD2-CD2 3.52Å; Y284-Y318 HydrophobicContact CD2-CE2 4.38Å; Y284-Y318 AromaticContact CD2-CG 4Å; Y284-Y318 HydrophobicContact CD2-CG 4Å; Y284-Y318 AromaticContact CE2-CD2 3.26Å; Y284-Y318 HydrophobicContact CE2-CD2 3.26Å; Y284-Y318 AromaticContact CE2-CE2 3.7Å; Y284-Y318 HydrophobicContact CE2-CE2 3.7Å; Y284-Y318 AromaticContact CE2-CG 3.93Å; Y284-Y318 HydrophobicContact CE2-CG 3.93Å; Q314-Y318 PolarHBondContact O-N 2.85Å; A315-Y318 PolarHBondContact O-N 3.35Å; Y318-Q320 VanDerWaalsContact C-N 3.35Å; Y318-Q320 PolarHBondContact O-N 3.37Å; Y318-M321 PolarHBondContact O-N 2.92Å; Y318-S322 VanDerWaalsContact O-CB 3.29Å; Y318-S322 WeakPolarHBondContact O-CB 3.4Å; Y318-S322 PolarHBondContact O-N 2.94Å; Y318-R327 PolarHBondContact OH-NH1 3.47Å; Y318-P335 HydrophobicContact CD1-CG 3.6Å; Y318-P335 HydrophobicContact CE1-CB 4.38Å; Y318-P335 HydrophobicContact CE1-CG 3.37Å; Y318-D337 WeakPolarHBondContact CE1-OD1 3.28Å; Y318-D337 VanDerWaalsContact OH-CG 3.26Å; Y318-D337 PolarHBondContact OH-OD1 3.49Å; Y318-D337 PolarHBondContact OH-OD2 3.01Å; Y318-L341 HydrophobicContact CD1-CD1 4.37Å; Y318-L341 HydrophobicContact CD1-CD2 3.84Å; Y318-L341 HydrophobicContact CD1-CG 4.5Å; Y318-L341 HydrophobicContact CG-CD1 4.37Å; Y318-L341 HydrophobicContact CG-CD2 3.97Å
319	R	95.9	Very high	94.2	Very high	70 Å²	70	44.2 Å²	44.2	26%	0.264	22%	0.219	S	C	.	.	H	α-helix	trans	-58	-47.1	174.6	-177.4	176.3	67.3	178.3	-0.3	111.5	A315 V316 A317 S322 L323 E332 A333 Y334	A315-R319 WeakPolarHBondContact O-CB 3.44Å; A315-R319 PolarHBondContact O-N 2.98Å; V316-R319 WeakPolarHBondContact O-CB 3.32Å; V316-R319 PolarHBondContact O-N 3.26Å; A317-R319 PolarHBondContact O-N 2.98Å; R319-S322 PolarHBondContact O-N 2.94Å; R319-L323 HydrophobicContact CG-CD1 4Å; R319-L323 HydrophobicContact CG-CG 4.46Å; R319-L323 VanDerWaalsContact O-CG 3.29Å; R319-L323 WeakPolarHBondContact O-CG 3.35Å; R319-L323 PolarHBondContact O-N 3.24Å; R319-E332 PolarHBondContact NH1-O 2.98Å; R319-A333 WeakPolarHBondContact CD-O 3.35Å; R319-A333 VanDerWaalsContact CG-O 3.25Å; R319-A333 WeakPolarHBondContact CG-O 3.46Å; R319-Y334 HydrophobicContact CB-CD1 3.76Å; R319-Y334 HydrophobicContact CB-CE1 4Å; R319-Y334 HydrophobicContact CG-CD1 4.18Å
320	Q	94	Very high	94	Very high	98 Å²	98	46.1 Å²	46.1	46%	0.458	24%	0.24	S	C	.	.	H	α-helix	trans	-58.2	-50.9	177.2	179.2	-179.8	-12	0	0	111.2	V316 A317 Y318 S322 L323 L324	V316-Q320 PolarHBondContact O-N 3.18Å; A317-Q320 PolarHBondContact O-N 3.22Å; Y318-Q320 VanDerWaalsContact C-N 3.35Å; Y318-Q320 PolarHBondContact O-N 3.37Å; Q320-S322 VanDerWaalsContact C-N 3.31Å; Q320-S322 PolarHBondContact O-N 2.82Å; Q320-L323 PolarHBondContact O-N 2.99Å; Q320-L324 HydrophobicContact CG-CD1 4.04Å; Q320-L324 WeakPolarHBondContact O-CG 3.38Å; Q320-L324 PolarHBondContact O-N 2.98Å; Q320-L324 VanDerWaalsContact O-N 3.09Å
321	M	91.7	Very high	93.8	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-57.8	-45.2	177.9	-69.2	167.2	55.3	0	0	111.8	L104 V114 A280 P281 Y284 A317 Y318 L323 L324 L325	L104-M321 HydrophobicContact CD1-CE 3.46Å; L104-M321 VanDerWaalsContact CD1-CE 3.46Å; V114-M321 HydrophobicContact CG1-CE 4.09Å; V114-M321 HydrophobicContact CG2-CE 4.44Å; A280-M321 HydrophobicContact CB-CG 4.39Å; P281-M321 HydrophobicContact CB-CE 4.43Å; P281-M321 HydrophobicContact CB-SD 4.18Å; P281-M321 HydrophobicContact CG-CG 4.36Å; P281-M321 HydrophobicContact CG-SD 4.21Å; Y284-M321 HydrophobicContact CD1-CE 4.11Å; Y284-M321 HydrophobicContact CD1-SD 4.41Å; Y284-M321 HydrophobicContact CD2-CE 4.49Å; Y284-M321 HydrophobicContact CD2-SD 4.33Å; Y284-M321 HydrophobicContact CG-CE 4.09Å; Y284-M321 HydrophobicContact CG-SD 3.88Å; A317-M321 WeakPolarHBondContact O-CG 3.42Å; A317-M321 PolarHBondContact O-N 3.03Å; Y318-M321 PolarHBondContact O-N 2.92Å; M321-L323 PolarHBondContact O-N 2.94Å; M321-L324 PolarHBondContact O-N 2.79Å; M321-L325 WeakPolarHBondContact O-CB 3.34Å; M321-L325 WeakPolarHBondContact O-CG 3.35Å; M321-L325 PolarHBondContact O-N 2.93Å
322	S	92.3	Very high	93.5	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.014	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-40.7	-178.1	-172.3	0	0	0	0	112.9	Y318 R319 Q320 L325 R326 R327 P335	Y318-S322 VanDerWaalsContact O-CB 3.29Å; Y318-S322 WeakPolarHBondContact O-CB 3.4Å; Y318-S322 PolarHBondContact O-N 2.94Å; R319-S322 PolarHBondContact O-N 2.94Å; Q320-S322 VanDerWaalsContact C-N 3.31Å; Q320-S322 PolarHBondContact O-N 2.82Å; S322-L325 CarbonylContact O-C 3.54Å; S322-L325 PolarHBondContact O-N 2.87Å; S322-R326 PolarHBondContact O-N 2.73Å; S322-R327 WeakPolarHBondContact O-CB 3.27Å; S322-R327 PolarHBondContact O-N 2.82Å; S322-R327 VanDerWaalsContact OG-CB 3.31Å; S322-R327 WeakPolarHBondContact OG-CB 3.35Å; S322-P335 VanDerWaalsContact OG-CB 3.32Å; S322-P335 WeakPolarHBondContact OG-CB 3.2Å
323	L	92.6	Very high	93.4	Very high	78 Å²	78	57.9 Å²	57.9	41%	0.408	29%	0.293	S	S	.	.	H	α-helix	trans	-67.1	-40.8	177.5	-71.5	172.1	0	0	0	111.7	R319 Q320 M321 L325 R326 P329	R319-L323 HydrophobicContact CG-CD1 4Å; R319-L323 HydrophobicContact CG-CG 4.46Å; R319-L323 VanDerWaalsContact O-CG 3.29Å; R319-L323 WeakPolarHBondContact O-CG 3.35Å; R319-L323 PolarHBondContact O-N 3.24Å; Q320-L323 PolarHBondContact O-N 2.99Å; M321-L323 PolarHBondContact O-N 2.94Å; L323-L325 VanDerWaalsContact C-N 3.33Å; L323-R326 WeakPolarHBondContact O-CA 3.36Å; L323-R326 PolarHBondContact O-N 3.44Å; L323-P329 HydrophobicContact CD2-CB 3.95Å; L323-P329 HydrophobicContact CD2-CG 4.29Å
324	L	90.4	Very high	93.4	Very high	60 Å²	60	56.2 Å²	56.2	31%	0.314	29%	0.286	S	S	.	.	H	α-helix	trans	-67.2	-34.9	176.7	-68.6	172.7	0	0	0	111.9	D76 I78 Q320 M321 R326	D76-L324 HydrophobicContact CB-CD1 3.84Å; D76-L324 HydrophobicContact CB-CD2 3.77Å; D76-L324 HydrophobicContact CB-CG 4.46Å; D76-L324 WeakPolarHBondContact O-CD1 3.25Å; I78-L324 HydrophobicContact CD1-CB 3.29Å; I78-L324 HydrophobicContact CD1-CD1 4.32Å; I78-L324 HydrophobicContact CD1-CG 4.45Å; I78-L324 HydrophobicContact CG1-CB 4.01Å; I78-L324 HydrophobicContact CG1-CD1 4.33Å; Q320-L324 HydrophobicContact CG-CD1 4.04Å; Q320-L324 WeakPolarHBondContact O-CG 3.38Å; Q320-L324 PolarHBondContact O-N 2.98Å; Q320-L324 VanDerWaalsContact O-N 3.09Å; M321-L324 PolarHBondContact O-N 2.79Å; L324-R326 PolarHBondContact O-N 3.48Å
325	L	87.2	Confident	93.2	Very high	18 Å²	18	56.4 Å²	56.4	9%	0.094	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	4.7	169.2	-69.7	173.8	0	0	0	113.6	I78 L104 V114 M321 S322 L323 R327	I78-L325 HydrophobicContact CD1-CD2 3.72Å; I78-L325 HydrophobicContact CD1-CG 3.62Å; I78-L325 HydrophobicContact CG2-CD2 3.88Å; L104-L325 HydrophobicContact CB-CD1 4Å; L104-L325 HydrophobicContact CD1-CD1 3.92Å; V114-L325 HydrophobicContact CG2-CD1 4.37Å; M321-L325 WeakPolarHBondContact O-CB 3.34Å; M321-L325 WeakPolarHBondContact O-CG 3.35Å; M321-L325 PolarHBondContact O-N 2.93Å; S322-L325 CarbonylContact O-C 3.54Å; S322-L325 PolarHBondContact O-N 2.87Å; L323-L325 VanDerWaalsContact C-N 3.33Å; L325-R327 HydrophobicContact CB-CG 4.27Å; L325-R327 PolarHBondContact O-N 3.12Å; L325-R327 VanDerWaalsContact O-N 3.12Å
326	R	88	Confident	93	Very high	181 Å²	181	59.6 Å²	59.6	68%	0.683	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	28.4	-179.7	-56.2	-174.3	178	-175.9	0.6	113.9	S322 L323 L324	S322-R326 PolarHBondContact O-N 2.73Å; L323-R326 WeakPolarHBondContact O-CA 3.36Å; L323-R326 PolarHBondContact O-N 3.44Å; L324-R326 PolarHBondContact O-N 3.48Å
327	R	89.4	Confident	92.8	Very high	70 Å²	70	59.3 Å²	59.3	26%	0.264	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-71.2	140.5	171.6	-65.7	-178.1	177.8	-167.7	-1	109.1	N105 Y318 S322 L325	N105-R327 PolarHBondContact OD1-NE 3.13Å; N105-R327 PolarHBondContact OD1-NH2 3.48Å; Y318-R327 PolarHBondContact OH-NH1 3.47Å; S322-R327 WeakPolarHBondContact O-CB 3.27Å; S322-R327 PolarHBondContact O-N 2.82Å; S322-R327 VanDerWaalsContact OG-CB 3.31Å; S322-R327 WeakPolarHBondContact OG-CB 3.35Å; L325-R327 HydrophobicContact CB-CG 4.27Å; L325-R327 PolarHBondContact O-N 3.12Å; L325-R327 VanDerWaalsContact O-N 3.12Å
328	P	92.4	Very high	92.8	Very high	113 Å²	113	59.2 Å²	59.2	73%	0.734	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-56.5	126.9	179.7	-26.8	34.9	0	0	0	112.5
329	P	95.3	Very high	92.8	Very high	78 Å²	78	62.7 Å²	62.7	51%	0.506	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-79.6	152.1	175.5	31.2	-33.1	0	0	0	111.8	L323 A333	L323-P329 HydrophobicContact CD2-CB 3.95Å; L323-P329 HydrophobicContact CD2-CG 4.29Å; P329-A333 HydrophobicContact CB-CB 4.37Å
330	G	93.3	Very high	92.8	Very high	44 Å²	44	65.8 Å²	65.8	45%	0.454	34%	0.343	S	S	.	.			trans	-111.7	-143.5	172.1	0	0	0	0	0	112.4	E332 A333 Y334	G330-E332 PolarHBondContact O-N 3.34Å; G330-A333 WeakPolarHBondContact O-CA 3.3Å; G330-A333 PolarHBondContact O-N 3.2Å; G330-A333 VanDerWaalsContact O-N 3.15Å; G330-Y334 WeakPolarHBondContact CA-O 3.43Å; G330-Y334 PolarHBondContact N-O 2.85Å
331	R	92.7	Very high	92.9	Very high	144 Å²	144	61.2 Å²	61.2	54%	0.543	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-59	135.2	180	-179.3	175.4	171	178.4	-3.1	111	A333 Y334 S375 Y377	R331-A333 PolarHBondContact O-N 2.75Å; R331-A333 VanDerWaalsContact O-N 3.09Å; R331-Y334 PolarHBondContact O-N 3.37Å; R331-Y334 VanDerWaalsContact O-N 3.09Å; R331-S375 PolarHBondContact NH2-O 2.78Å; R331-Y377 HydrophobicContact CB-CD1 4.33Å; R331-Y377 HydrophobicContact CB-CE1 4.47Å; R331-Y377 HydrophobicContact CG-CG 4.35Å
332	E	91.3	Very high	93.2	Very high	85 Å²	85	61 Å²	61	40%	0.397	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	54.2	27.7	-178	-64.6	164.4	-139.7	0	0	113.3	R319 G330 Y334 Y377	R319-E332 PolarHBondContact NH1-O 2.98Å; G330-E332 PolarHBondContact O-N 3.34Å; E332-Y334 HydrophobicContact CB-CD2 3.79Å; E332-Y334 HydrophobicContact CB-CE2 3.92Å; E332-Y334 PolarHBondContact O-N 2.69Å; E332-Y377 VanDerWaalsContact OE1-CB 3.29Å; E332-Y377 WeakPolarHBondContact OE1-CB 3.31Å; E332-Y377 PolarHBondContact OE1-N 3.5Å; E332-Y377 VanDerWaalsContact OE1-N 3.15Å
333	A	95.3	Very high	93.4	Very high	40 Å²	40	61.9 Å²	61.9	33%	0.331	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	62.5	9	-175.5	0	0	0	0	0	116	R319 P329 G330 R331	R319-A333 WeakPolarHBondContact CD-O 3.35Å; R319-A333 VanDerWaalsContact CG-O 3.25Å; R319-A333 WeakPolarHBondContact CG-O 3.46Å; P329-A333 HydrophobicContact CB-CB 4.37Å; G330-A333 WeakPolarHBondContact O-CA 3.3Å; G330-A333 PolarHBondContact O-N 3.2Å; G330-A333 VanDerWaalsContact O-N 3.15Å; R331-A333 PolarHBondContact O-N 2.75Å; R331-A333 VanDerWaalsContact O-N 3.09Å
334	Y	95.9	Very high	93.5	Very high	19 Å²	19	61 Å²	61	8%	0.075	32%	0.319	C	S	.	.			trans	-71.4	147.9	172.8	-70.2	-78.9	0	0	0	111.2	A315 R319 G330 R331 E332 V338 Y377 I378	A315-Y334 HydrophobicContact CB-CD1 4.39Å; A315-Y334 HydrophobicContact CB-CE1 3.72Å; A315-Y334 WeakPolarHBondContact O-CE1 3.35Å; R319-Y334 HydrophobicContact CB-CD1 3.76Å; R319-Y334 HydrophobicContact CB-CE1 4Å; R319-Y334 HydrophobicContact CG-CD1 4.18Å; G330-Y334 WeakPolarHBondContact CA-O 3.43Å; G330-Y334 PolarHBondContact N-O 2.85Å; R331-Y334 PolarHBondContact O-N 3.37Å; R331-Y334 VanDerWaalsContact O-N 3.09Å; E332-Y334 HydrophobicContact CB-CD2 3.79Å; E332-Y334 HydrophobicContact CB-CE2 3.92Å; E332-Y334 PolarHBondContact O-N 2.69Å; Y334-V338 HydrophobicContact CD1-CG2 4.02Å; Y334-V338 HydrophobicContact CG-CG2 4.49Å; Y334-Y377 AromaticContact CD2-CD1 3.83Å; Y334-Y377 HydrophobicContact CD2-CD1 3.83Å; Y334-Y377 HydrophobicContact CD2-CE1 4.5Å; Y334-Y377 HydrophobicContact CG-CD1 4.28Å; Y334-I378 HydrophobicContact CD1-CD1 4.05Å; Y334-I378 HydrophobicContact CD2-CD1 4.23Å; Y334-I378 HydrophobicContact CD2-CG1 4.39Å; Y334-I378 HydrophobicContact CE1-CD1 3.92Å; Y334-I378 HydrophobicContact CE1-CG1 4.02Å; Y334-I378 HydrophobicContact CE2-CD1 4.07Å; Y334-I378 HydrophobicContact CE2-CG1 3.76Å; Y334-I378 HydrophobicContact CG-CD1 4.21Å
335	P	94.3	Very high	93.9	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.019	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-66.5	155.2	173.5	29.2	-35.1	0	0	0	112	Y318 S322 D337 V338	Y318-P335 HydrophobicContact CD1-CG 3.6Å; Y318-P335 HydrophobicContact CE1-CB 4.38Å; Y318-P335 HydrophobicContact CE1-CG 3.37Å; S322-P335 VanDerWaalsContact OG-CB 3.32Å; S322-P335 WeakPolarHBondContact OG-CB 3.2Å; P335-D337 WeakPolarHBondContact CB-OD1 3.44Å; P335-D337 PolarHBondContact O-N 3.32Å; P335-D337 VanDerWaalsContact O-N 3.09Å; P335-V338 HydrophobicContact CG-CB 4.43Å; P335-V338 WeakPolarHBondContact O-CB 3.35Å; P335-V338 WeakPolarHBondContact O-CG1 3.37Å; P335-V338 PolarHBondContact O-N 3.11Å; P335-V338 VanDerWaalsContact O-N 3.1Å
336	G	91.9	Very high	94.4	Very high	67 Å²	67	57.3 Å²	57.3	69%	0.691	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.3	-176.4	0	0	0	0	0	114.8
337	D	93.6	Very high	94.9	Very high	56 Å²	56	51.6 Å²	51.6	30%	0.299	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	10.5	179.9	68.2	-21.2	0	0	0	113.6	Y318 P335 F339 Y340 L341	Y318-D337 WeakPolarHBondContact CE1-OD1 3.28Å; Y318-D337 VanDerWaalsContact OH-CG 3.26Å; Y318-D337 PolarHBondContact OH-OD1 3.49Å; Y318-D337 PolarHBondContact OH-OD2 3.01Å; P335-D337 WeakPolarHBondContact CB-OD1 3.44Å; P335-D337 PolarHBondContact O-N 3.32Å; P335-D337 VanDerWaalsContact O-N 3.09Å; D337-F339 PolarHBondContact O-N 3.28Å; D337-Y340 WeakPolarHBondContact O-CA 3.42Å; D337-Y340 WeakPolarHBondContact O-CB 3.43Å; D337-Y340 PolarHBondContact O-N 3.22Å; D337-L341 PolarHBondContact O-N 3.5Å
338	V	95.3	Very high	95.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60	-28.6	176.6	72.1	0	0	0	0	112.6	A315 Y334 P335 L341 Y377 I378	A315-V338 HydrophobicContact CB-CG2 4.32Å; Y334-V338 HydrophobicContact CD1-CG2 4.02Å; Y334-V338 HydrophobicContact CG-CG2 4.49Å; P335-V338 HydrophobicContact CG-CB 4.43Å; P335-V338 WeakPolarHBondContact O-CB 3.35Å; P335-V338 WeakPolarHBondContact O-CG1 3.37Å; P335-V338 PolarHBondContact O-N 3.11Å; P335-V338 VanDerWaalsContact O-N 3.1Å; V338-L341 WeakPolarHBondContact O-CB 3.41Å; V338-L341 PolarHBondContact O-N 2.99Å; V338-Y377 HydrophobicContact CG1-CD1 4.28Å; V338-Y377 HydrophobicContact CG1-CE1 3.41Å; V338-Y377 VanDerWaalsContact CG1-CE1 3.41Å; V338-I378 HydrophobicContact CG1-CD1 4.32Å; V338-I378 HydrophobicContact CG2-CD1 3.73Å
339	F	96.6	Very high	95.5	Very high	85 Å²	85	43 Å²	43	37%	0.373	23%	0.233	S	C	.	.	H	α-helix	trans	-64.6	-43.6	170.9	-180	-90.1	0	0	0	111.3	D337 L341 H342 S343 N381 S384 I385	D337-F339 PolarHBondContact O-N 3.28Å; F339-L341 VanDerWaalsContact C-N 3.28Å; F339-L341 PolarHBondContact O-N 3.21Å; F339-H342 PolarHBondContact O-N 3.36Å; F339-S343 WeakPolarHBondContact O-CB 3.35Å; F339-S343 PolarHBondContact O-N 3.16Å; F339-S343 PolarHBondContact O-OG 2.97Å; F339-N381 HydrophobicContact CD2-CB 3.97Å; F339-S384 WeakPolarHBondContact CE2-OG 3.4Å; F339-I385 HydrophobicContact CD2-CD1 4.1Å; F339-I385 HydrophobicContact CD2-CG1 4.48Å; F339-I385 HydrophobicContact CE2-CD1 3.8Å; F339-I385 HydrophobicContact CE2-CG1 3.69Å; F339-I385 HydrophobicContact CZ-CD1 4.14Å; F339-I385 HydrophobicContact CZ-CG1 3.77Å
340	Y	95.4	Very high	95.6	Very high	135 Å²	135	39.4 Å²	39.4	53%	0.529	21%	0.211	S	C	.	.	H	α-helix	trans	-64.1	-34.2	179.1	-175.4	-116.6	0	0	0	112.1	D337 S343 R344	D337-Y340 WeakPolarHBondContact O-CA 3.42Å; D337-Y340 WeakPolarHBondContact O-CB 3.43Å; D337-Y340 PolarHBondContact O-N 3.22Å; Y340-S343 WeakPolarHBondContact CA-OG 3.5Å; Y340-S343 PolarHBondContact O-N 3.24Å; Y340-S343 PolarHBondContact O-OG 3.08Å; Y340-R344 HydrophobicContact CE2-CB 4.15Å; Y340-R344 WeakPolarHBondContact O-CB 3.35Å; Y340-R344 VanDerWaalsContact O-CG 3.23Å; Y340-R344 WeakPolarHBondContact O-CG 3.3Å; Y340-R344 PolarHBondContact O-N 3.46Å
341	L	95.5	Very high	95.8	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-52.9	-56.3	173.7	-176.3	77.6	0	0	0	112.1	Y284 Y288 Y318 D337 V338 F339 L345	Y284-L341 HydrophobicContact CD2-CD1 4.03Å; Y284-L341 HydrophobicContact CE2-CD1 3.28Å; Y288-L341 HydrophobicContact CE2-CD1 3.94Å; Y288-L341 WeakPolarHBondContact OH-CD1 3.28Å; Y288-L341 PolarHBondContact OH-O 2.79Å; Y318-L341 HydrophobicContact CD1-CD1 4.37Å; Y318-L341 HydrophobicContact CD1-CD2 3.84Å; Y318-L341 HydrophobicContact CD1-CG 4.5Å; Y318-L341 HydrophobicContact CG-CD1 4.37Å; Y318-L341 HydrophobicContact CG-CD2 3.97Å; D337-L341 PolarHBondContact O-N 3.5Å; V338-L341 WeakPolarHBondContact O-CB 3.41Å; V338-L341 PolarHBondContact O-N 2.99Å; F339-L341 VanDerWaalsContact C-N 3.28Å; F339-L341 PolarHBondContact O-N 3.21Å; L341-L345 WeakPolarHBondContact O-CB 3.38Å; L341-L345 PolarHBondContact O-N 2.9Å
342	H	97.7	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-76.4	-34.4	-176.9	-63.6	150.6	0	0	0	112.2	F339 L345 L346 I385	F339-H342 PolarHBondContact O-N 3.36Å; H342-L345 PolarHBondContact O-N 2.86Å; H342-L346 WeakPolarHBondContact O-CB 3.44Å; H342-L346 WeakPolarHBondContact O-CG 3.38Å; H342-L346 PolarHBondContact O-N 2.75Å; H342-I385 HydrophobicContact CB-CD1 3.86Å
343	S	96.8	Very high	96.3	Very high	20 Å²	20	29.1 Å²	29.1	14%	0.14	16%	0.158	C	C	.	.	H	α-helix	trans	-67.6	-46.2	179.9	66.7	0	0	0	0	111.5	F339 Y340 L345 L346 E347	F339-S343 WeakPolarHBondContact O-CB 3.35Å; F339-S343 PolarHBondContact O-N 3.16Å; F339-S343 PolarHBondContact O-OG 2.97Å; Y340-S343 WeakPolarHBondContact CA-OG 3.5Å; Y340-S343 PolarHBondContact O-N 3.24Å; Y340-S343 PolarHBondContact O-OG 3.08Å; S343-L345 PolarHBondContact O-N 2.9Å; S343-L346 PolarHBondContact O-N 2.9Å; S343-E347 WeakPolarHBondContact O-CB 3.21Å; S343-E347 WeakPolarHBondContact O-CG 3.3Å; S343-E347 PolarHBondContact O-N 2.77Å
344	R	96	Very high	96.3	Very high	60 Å²	60	35.4 Å²	35.4	23%	0.226	18%	0.18	C	C	.	.	H	α-helix	trans	-64.4	-26.2	176.8	82.7	-174.8	-177.7	156.4	2.7	112.9	E90 Y284 Y288 Y340 R348	E90-R344 IonicContact OE1-NH1 2.7Å; E90-R344 PolarHBondContact OE1-NH1 3.44Å; E90-R344 IonicContact OE1-NH2 3.2Å; Y284-R344 PolarHBondContact OH-NH2 2.88Å; Y288-R344 HydrophobicContact CE1-CG 4.03Å; Y288-R344 PolarHBondContact OH-NE 3.29Å; Y288-R344 PolarHBondContact OH-NH2 3.44Å; Y340-R344 HydrophobicContact CE2-CB 4.15Å; Y340-R344 WeakPolarHBondContact O-CB 3.35Å; Y340-R344 VanDerWaalsContact O-CG 3.23Å; Y340-R344 WeakPolarHBondContact O-CG 3.3Å; Y340-R344 PolarHBondContact O-N 3.46Å; R344-R348 WeakPolarHBondContact O-CD 3.37Å; R344-R348 WeakPolarHBondContact O-CG 3.26Å
345	L	97.9	Very high	96.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-76.4	-56.5	174.4	175.8	66.5	0	0	0	111.4	P287 Y288 C291 Y308 L311 L341 H342 S343 R348	P287-L345 HydrophobicContact CB-CD1 4.2Å; P287-L345 HydrophobicContact CB-CD2 3.6Å; Y288-L345 HydrophobicContact CD1-CB 4.46Å; Y288-L345 HydrophobicContact CD1-CD1 3.76Å; Y288-L345 HydrophobicContact CE1-CB 3.77Å; Y288-L345 HydrophobicContact CE1-CD1 3.94Å; Y288-L345 HydrophobicContact CE1-CG 4.41Å; Y288-L345 HydrophobicContact CG-CD1 4.37Å; C291-L345 HydrophobicContact CB-CD1 3.85Å; Y308-L345 HydrophobicContact CE1-CD1 4.27Å; Y308-L345 HydrophobicContact CE1-CD2 4.28Å; L311-L345 HydrophobicContact CD2-CD2 3.99Å; L341-L345 WeakPolarHBondContact O-CB 3.38Å; L341-L345 PolarHBondContact O-N 2.9Å; H342-L345 PolarHBondContact O-N 2.86Å; S343-L345 PolarHBondContact O-N 2.9Å; L345-R348 WeakPolarHBondContact O-CB 3.49Å; L345-R348 PolarHBondContact O-N 2.64Å
346	L	98	Very high	96.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-72.8	-31.3	-171.2	-67.5	173.8	0	0	0	112.4	R204 Y308 L311 H342 S343 R348 A349 A363 P365 V382 I385 T386	R204-L346 WeakPolarHBondContact CD-O 3.41Å; Y308-L346 HydrophobicContact CD2-CD2 4.19Å; Y308-L346 HydrophobicContact CE2-CD2 3.81Å; L311-L346 HydrophobicContact CD1-CD1 4.31Å; L311-L346 HydrophobicContact CD1-CD2 4.33Å; H342-L346 WeakPolarHBondContact O-CB 3.44Å; H342-L346 WeakPolarHBondContact O-CG 3.38Å; H342-L346 PolarHBondContact O-N 2.75Å; S343-L346 PolarHBondContact O-N 2.9Å; L346-R348 PolarHBondContact O-N 3.45Å; L346-R348 VanDerWaalsContact O-N 3.12Å; L346-A349 WeakPolarHBondContact O-CB 3.34Å; L346-A349 PolarHBondContact O-N 2.86Å; L346-A363 HydrophobicContact CD2-CB 4.4Å; L346-P365 HydrophobicContact CD1-CG 4.32Å; L346-P365 HydrophobicContact CD2-CB 4.08Å; L346-P365 HydrophobicContact CD2-CG 3.97Å; L346-V382 HydrophobicContact CD1-CG1 4.11Å; L346-I385 HydrophobicContact CB-CG2 3.78Å; L346-I385 HydrophobicContact CD1-CB 4.43Å; L346-I385 HydrophobicContact CD1-CG2 3.79Å; L346-I385 HydrophobicContact CG-CG2 4.4Å; L346-T386 HydrophobicContact CD1-CG2 3.96Å
347	E	97.4	Very high	96.3	Very high	61 Å²	61	45.5 Å²	45.5	29%	0.285	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-12.8	174.8	-79.4	-67.1	154.3	0	0	114.2	A173 R179 R204 S343 A349	A173-E347 HydrophobicContact CB-CB 3.91Å; A173-E347 WeakPolarHBondContact CB-O 3.47Å; R179-E347 IonicContact CZ-OE2 2.87Å; R179-E347 IonicContact NH1-OE2 2.77Å; R179-E347 PolarHBondContact NH1-OE2 3.24Å; R179-E347 PolarHBondContact NH2-O 3.43Å; R179-E347 IonicContact NH2-OE2 3.09Å; R179-E347 PolarHBondContact NH2-OE2 3.29Å; R204-E347 IonicContact CZ-OE1 2.75Å; R204-E347 IonicContact NH1-OE1 2.98Å; R204-E347 PolarHBondContact NH1-OE1 2.98Å; R204-E347 IonicContact NH1-OE2 3.52Å; R204-E347 PolarHBondContact NH1-OE2 3.01Å; R204-E347 IonicContact NH2-OE1 3.61Å; S343-E347 WeakPolarHBondContact O-CB 3.21Å; S343-E347 WeakPolarHBondContact O-CG 3.3Å; S343-E347 PolarHBondContact O-N 2.77Å; E347-A349 VanDerWaalsContact C-N 3.3Å
348	R	97.8	Very high	96.4	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-21.9	173.2	-67.8	168.7	67.7	-176.9	3.7	112.4	V169 A173 C291 S292 E295 R298 R344 L345 L346 A350	V169-R348 PolarHBondContact O-NH1 2.86Å; V169-R348 PolarHBondContact O-NH2 3.21Å; A173-R348 HydrophobicContact CB-CG 3.95Å; C291-R348 VanDerWaalsContact SG-CZ 3.6Å; C291-R348 PolarHBondContact SG-NE 2.77Å; S292-R348 PolarHBondContact OG-NH2 3.22Å; E295-R348 VanDerWaalsContact CD-NE 3.35Å; E295-R348 WeakPolarHBondContact OE1-CB 3.49Å; E295-R348 IonicContact OE1-CZ 2.76Å; E295-R348 IonicContact OE1-NE 3.82Å; E295-R348 PolarHBondContact OE1-NE 3.42Å; E295-R348 IonicContact OE1-NH2 2.65Å; E295-R348 IonicContact OE2-CZ 2.67Å; E295-R348 IonicContact OE2-NE 3.48Å; E295-R348 IonicContact OE2-NH2 2.77Å; E295-R348 PolarHBondContact OE2-NH2 3.26Å; R298-R348 PolarHBondContact NH1-O 2.98Å; R344-R348 WeakPolarHBondContact O-CD 3.37Å; R344-R348 WeakPolarHBondContact O-CG 3.26Å; L345-R348 WeakPolarHBondContact O-CB 3.49Å; L345-R348 PolarHBondContact O-N 2.64Å; L346-R348 PolarHBondContact O-N 3.45Å; L346-R348 VanDerWaalsContact O-N 3.12Å; R348-A350 PolarHBondContact O-N 3.05Å
349	A	97.7	Very high	96.5	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	22%	0.218	C	C	.	.			trans	-76.9	113.8	172.9	0	0	0	0	0	109.8	R204 L346 E347 L361 A363	R204-A349 HydrophobicContact CG-CB 3.88Å; L346-A349 WeakPolarHBondContact O-CB 3.34Å; L346-A349 PolarHBondContact O-N 2.86Å; E347-A349 VanDerWaalsContact C-N 3.3Å; A349-L361 CarbonylContact C-O 2.97Å; A349-L361 VanDerWaalsContact CA-O 3.3Å; A349-L361 WeakPolarHBondContact CA-O 3.36Å; A349-L361 HydrophobicContact CB-CD2 4.47Å; A349-L361 HydrophobicContact CB-CG 4.24Å; A349-L361 VanDerWaalsContact CB-O 3.25Å; A349-L361 WeakPolarHBondContact CB-O 3.5Å; A349-A363 HydrophobicContact CB-CB 3.61Å
350	A	97.5	Very high	96.6	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.033	20%	0.2	C	C	.	.			trans	-155.6	162.7	-177.5	0	0	0	0	0	111.9	P174 R179 R348 S360 L361	P174-A350 HydrophobicContact CG-CB 3.98Å; R179-A350 HydrophobicContact CG-CB 4.06Å; R348-A350 PolarHBondContact O-N 3.05Å; A350-S360 WeakPolarHBondContact O-CA 3.34Å; A350-L361 PolarHBondContact N-O 3.07Å; A350-L361 PolarHBondContact O-N 3.47Å
351	K	97.9	Very high	96.7	Very high	22 Å²	22	33 Å²	33	10%	0.096	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-94.2	120.6	165.3	-176.4	69	163.2	84.1	0	109.2	R179 I180 V182 E184 G358	R179-K351 VanDerWaalsContact CA-O 3.31Å; R179-K351 WeakPolarHBondContact CA-O 3.09Å; I180-K351 HydrophobicContact CG2-CB 4.22Å; I180-K351 HydrophobicContact CG2-CG 3.49Å; I180-K351 VanDerWaalsContact CG2-CG 3.49Å; I180-K351 PolarHBondContact N-O 2.85Å; V182-K351 HydrophobicContact CG2-CB 4.32Å; E184-K351 VanDerWaalsContact CD-CE 3.46Å; E184-K351 WeakPolarHBondContact OE1-CE 3.33Å; E184-K351 IonicContact OE1-NZ 2.81Å; E184-K351 PolarHBondContact OE1-NZ 3.24Å; E184-K351 WeakPolarHBondContact OE2-CE 3.45Å; K351-G358 PolarHBondContact NZ-O 2.91Å
352	M	97.9	Very high	96.9	Very high	10 Å²	10	32.9 Å²	32.9	5%	0.049	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-81.3	150.1	177.4	-54.7	-55.8	-70.4	0	0	110.4	P174 P178 I180 R298 F356 G358 G359	P174-M352 HydrophobicContact CB-CE 4.07Å; P174-M352 HydrophobicContact CB-SD 4.05Å; P174-M352 HydrophobicContact CG-SD 4.14Å; P178-M352 HydrophobicContact CB-CE 3.58Å; P178-M352 WeakPolarHBondContact O-CA 3.22Å; I180-M352 WeakPolarHBondContact CG2-O 3.38Å; R298-M352 HydrophobicContact CG-CG 3.75Å; M352-F356 HydrophobicContact CB-CB 4.27Å; M352-F356 HydrophobicContact CE-CB 3.77Å; M352-F356 HydrophobicContact CE-CG 4.22Å; M352-G358 WeakPolarHBondContact O-CA 3.4Å; M352-G359 PolarHBondContact N-O 3.08Å
353	N	96.6	Very high	96.9	Very high	25 Å²	25	32.9 Å²	32.9	13%	0.134	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-76.2	172.8	171.7	76.5	32.9	0	0	0	111.1	I177 P178 I180 N355 F356 G357 G358	I177-N353 PolarHBondContact O-ND2 2.79Å; P178-N353 PolarHBondContact O-N 2.61Å; I180-N353 HydrophobicContact CB-CB 4.14Å; N353-N355 VanDerWaalsContact C-N 3.33Å; N353-N355 PolarHBondContact O-N 2.82Å; N353-N355 WeakPolarHBondContact OD1-CA 3.14Å; N353-N355 WeakPolarHBondContact OD1-CB 3.22Å; N353-N355 PolarHBondContact OD1-N 2.96Å; N353-F356 CarbonylContact O-C 3.44Å; N353-F356 PolarHBondContact O-N 2.82Å; N353-F356 VanDerWaalsContact O-N 3.14Å; N353-F356 VanDerWaalsContact OD1-CD2 3.3Å; N353-F356 WeakPolarHBondContact OD1-CD2 3.32Å; N353-F356 PolarHBondContact OD1-N 3.46Å; N353-F356 VanDerWaalsContact OD1-N 3.16Å; N353-G357 PolarHBondContact O-N 3.44Å; N353-G358 WeakPolarHBondContact O-CA 3.42Å; N353-G358 PolarHBondContact O-N 2.87Å
354	E	94.4	Very high	97	Very high	172 Å²	172	32 Å²	32	80%	0.804	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-63.7	-34.7	-175.8	-62.4	-178.6	170.8	0	0	113.4	F356 G357	E354-F356 PolarHBondContact O-N 2.86Å; E354-G357 PolarHBondContact O-N 2.69Å; E354-G357 VanDerWaalsContact O-N 3.09Å
355	N	95.4	Very high	97.1	Very high	150 Å²	150	29.1 Å²	29.1	80%	0.802	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-66.3	-22.1	177.6	-63.1	-16.3	0	0	0	112.7	N353	N353-N355 VanDerWaalsContact C-N 3.33Å; N353-N355 PolarHBondContact O-N 2.82Å; N353-N355 WeakPolarHBondContact OD1-CA 3.14Å; N353-N355 WeakPolarHBondContact OD1-CB 3.22Å; N353-N355 PolarHBondContact OD1-N 2.96Å
356	F	94.4	Very high	97.2	Very high	105 Å²	105	29.1 Å²	29.1	46%	0.461	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-108.5	28.2	175.5	-67.2	-87.5	0	0	0	111.9	P178 M352 N353 E354 G358	P178-F356 HydrophobicContact CB-CD1 4.37Å; P178-F356 HydrophobicContact CB-CD2 3.67Å; P178-F356 HydrophobicContact CB-CE1 4.44Å; P178-F356 HydrophobicContact CB-CE2 3.77Å; P178-F356 HydrophobicContact CB-CG 4Å; P178-F356 HydrophobicContact CB-CZ 4.17Å; P178-F356 HydrophobicContact CG-CD2 4.37Å; P178-F356 HydrophobicContact CG-CE1 4.45Å; P178-F356 HydrophobicContact CG-CE2 3.97Å; P178-F356 HydrophobicContact CG-CZ 4.02Å; M352-F356 HydrophobicContact CB-CB 4.27Å; M352-F356 HydrophobicContact CE-CB 3.77Å; M352-F356 HydrophobicContact CE-CG 4.22Å; N353-F356 CarbonylContact O-C 3.44Å; N353-F356 PolarHBondContact O-N 2.82Å; N353-F356 VanDerWaalsContact O-N 3.14Å; N353-F356 VanDerWaalsContact OD1-CD2 3.3Å; N353-F356 WeakPolarHBondContact OD1-CD2 3.32Å; N353-F356 PolarHBondContact OD1-N 3.46Å; N353-F356 VanDerWaalsContact OD1-N 3.16Å; E354-F356 PolarHBondContact O-N 2.86Å; F356-G358 PolarHBondContact O-N 3.09Å
357	G	93.3	Very high	97.2	Very high	45 Å²	45	29.1 Å²	29.1	46%	0.464	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-8.5	172	0	0	0	0	0	115.6	G301 N353 E354 G359	G301-G357 WeakPolarHBondContact CA-O 3.34Å; N353-G357 PolarHBondContact O-N 3.44Å; E354-G357 PolarHBondContact O-N 2.69Å; E354-G357 VanDerWaalsContact O-N 3.09Å; G357-G359 PolarHBondContact O-N 2.86Å
358	G	95.2	Very high	97.1	Very high	14 Å²	14	27.8 Å²	27.8	14%	0.144	15%	0.151	C	C	.	.	S	Bend	trans	71.8	5.6	172.8	0	0	0	0	0	116	K351 M352 N353 F356	K351-G358 PolarHBondContact NZ-O 2.91Å; M352-G358 WeakPolarHBondContact O-CA 3.4Å; N353-G358 WeakPolarHBondContact O-CA 3.42Å; N353-G358 PolarHBondContact O-N 2.87Å; F356-G358 PolarHBondContact O-N 3.09Å
359	G	97.3	Very high	96.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.			trans	-71.3	172.3	-179.8	0	0	0	0	0	113.4	R298 K302 M352 G357	R298-G359 VanDerWaalsContact O-CA 3.31Å; R298-G359 WeakPolarHBondContact O-CA 3.14Å; K302-G359 CarbonylContact O-C 3.58Å; K302-G359 WeakPolarHBondContact O-CA 3.44Å; M352-G359 PolarHBondContact N-O 3.08Å; G357-G359 PolarHBondContact O-N 2.86Å
360	S	98.3	Very high	96.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148.3	180	70.6	0	0	0	0	113	K302 H303 A304 A350	K302-S360 PolarHBondContact O-N 3.29Å; H303-S360 CarbonylContact C-O 3.58Å; H303-S360 WeakPolarHBondContact CA-O 3.38Å; H303-S360 PolarHBondContact ND1-OG 2.83Å; A304-S360 PolarHBondContact N-O 3.04Å; A350-S360 WeakPolarHBondContact O-CA 3.34Å
361	L	98.6	Very high	96	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	108.8	164.5	179.9	63	0	0	0	108.6	G202 E295 R298 A304 I306 A349 A350	G202-L361 WeakPolarHBondContact CA-O 3.25Å; E295-L361 HydrophobicContact CG-CD2 4.15Å; R298-L361 HydrophobicContact CB-CB 4.23Å; R298-L361 HydrophobicContact CG-CB 4.4Å; A304-L361 HydrophobicContact CB-CD1 3.79Å; A304-L361 WeakPolarHBondContact O-CA 3.34Å; I306-L361 HydrophobicContact CB-CD1 4.06Å; I306-L361 HydrophobicContact CG2-CD1 3.76Å; I306-L361 HydrophobicContact CG2-CD2 4.42Å; I306-L361 HydrophobicContact CG2-CG 4.07Å; A349-L361 CarbonylContact C-O 2.97Å; A349-L361 VanDerWaalsContact CA-O 3.3Å; A349-L361 WeakPolarHBondContact CA-O 3.36Å; A349-L361 HydrophobicContact CB-CD2 4.47Å; A349-L361 HydrophobicContact CB-CG 4.24Å; A349-L361 VanDerWaalsContact CB-O 3.25Å; A349-L361 WeakPolarHBondContact CB-O 3.5Å; A350-L361 PolarHBondContact N-O 3.07Å; A350-L361 PolarHBondContact O-N 3.47Å
362	T	98.8	Very high	95.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	135.9	171.8	-62.3	0	0	0	0	109.2	M186 I199 G200 R201 G202 Q203 A304 L305 I306	M186-T362 HydrophobicContact CE-CG2 4.16Å; M186-T362 HydrophobicContact CG-CG2 4.38Å; I199-T362 HydrophobicContact CG2-CG2 3.88Å; G200-T362 PolarHBondContact O-OG1 3.19Å; R201-T362 VanDerWaalsContact CA-OG1 3.28Å; R201-T362 WeakPolarHBondContact CA-OG1 3.49Å; G202-T362 PolarHBondContact N-OG1 3.41Å; Q203-T362 WeakPolarHBondContact O-CA 3.39Å; Q203-T362 WeakPolarHBondContact O-CG2 3.43Å; A304-T362 PolarHBondContact O-N 3.39Å; L305-T362 CarbonylContact C-O 3.59Å; L305-T362 WeakPolarHBondContact CA-O 3.38Å; L305-T362 HydrophobicContact CD1-CG2 4.03Å; I306-T362 WeakPolarHBondContact CG2-O 3.29Å; I306-T362 PolarHBondContact N-O 3.4Å
363	A	98.6	Very high	94.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.6	179.7	0	0	0	0	0	112.4	Q203 R204 E205 I306 Y308 L346 A349 P365	Q203-A363 PolarHBondContact O-N 3.11Å; R204-A363 CarbonylContact C-O 3.48Å; R204-A363 WeakPolarHBondContact CA-O 3.41Å; R204-A363 HydrophobicContact CG-CB 4.15Å; E205-A363 PolarHBondContact N-O 3.34Å; I306-A363 HydrophobicContact CG2-CB 3.86Å; I306-A363 CarbonylContact O-C 3.57Å; I306-A363 WeakPolarHBondContact O-CA 3.35Å; Y308-A363 HydrophobicContact CE2-CB 4.1Å; L346-A363 HydrophobicContact CD2-CB 4.4Å; A349-A363 HydrophobicContact CB-CB 3.61Å; A363-P365 VanDerWaalsContact C-CD 3.49Å; A363-P365 WeakPolarHBondContact O-CD 3.45Å
364	L	98.8	Very high	94.5	Very high	1 Å²	1	43 Å²	43	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	80.1	171.7	-56.9	-178.7	0	0	0	109.5	M186 I199 E205 I207 T222 L305 I306 I307 Y308	M186-L364 HydrophobicContact CE-CD1 4.31Å; I199-L364 HydrophobicContact CD1-CD2 3.84Å; I199-L364 HydrophobicContact CG2-CD2 4.37Å; E205-L364 HydrophobicContact CB-CD2 3.78Å; E205-L364 WeakPolarHBondContact O-CA 2.94Å; I207-L364 HydrophobicContact CD1-CB 4.33Å; T222-L364 HydrophobicContact CG2-CD1 4.18Å; L305-L364 HydrophobicContact CD1-CD1 3.72Å; L305-L364 HydrophobicContact CD1-CG 3.71Å; I306-L364 PolarHBondContact O-N 2.9Å; I307-L364 WeakPolarHBondContact CA-O 3.42Å; I307-L364 HydrophobicContact CG1-CB 3.93Å; I307-L364 HydrophobicContact CG1-CD1 4.15Å; I307-L364 HydrophobicContact CG1-CG 4.45Å; Y308-L364 PolarHBondContact N-O 3.45Å
365	P	98.6	Very high	94.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	136.9	172.5	26.2	-30.7	0	0	0	110.6	E205 L206 I207 Y308 L311 L346 A363 V382 T386	E205-P365 WeakPolarHBondContact O-CD 3.5Å; L206-P365 HydrophobicContact CB-CG 4.38Å; L206-P365 HydrophobicContact CD1-CB 4.4Å; L206-P365 HydrophobicContact CD1-CG 4.24Å; L206-P365 WeakPolarHBondContact CD1-O 3.13Å; I207-P365 PolarHBondContact N-O 2.91Å; Y308-P365 HydrophobicContact CD2-CB 4.18Å; L311-P365 HydrophobicContact CD1-CB 3.49Å; L311-P365 VanDerWaalsContact CD1-CB 3.49Å; L311-P365 HydrophobicContact CG-CB 4.19Å; L346-P365 HydrophobicContact CD1-CG 4.32Å; L346-P365 HydrophobicContact CD2-CB 4.08Å; L346-P365 HydrophobicContact CD2-CG 3.97Å; A363-P365 VanDerWaalsContact C-CD 3.49Å; A363-P365 WeakPolarHBondContact O-CD 3.45Å; P365-V382 HydrophobicContact CG-CG1 4.48Å; P365-T386 HydrophobicContact CG-CG2 3.97Å
366	V	98.6	Very high	94.1	Very high	0 Å²	0	32 Å²	32	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.3	171.6	-174.8	0	0	0	0	108.8	I207 K215 I307 Y308 D309 D310 L311	I207-V366 HydrophobicContact CB-CG2 4.39Å; I207-V366 CarbonylContact O-C 3.58Å; I207-V366 VanDerWaalsContact O-CA 3.3Å; I207-V366 WeakPolarHBondContact O-CA 3.45Å; K215-V366 HydrophobicContact CB-CG1 3.91Å; K215-V366 HydrophobicContact CD-CG1 3.72Å; K215-V366 HydrophobicContact CG-CG1 4.4Å; I307-V366 HydrophobicContact CG2-CG2 4.39Å; Y308-V366 WeakPolarHBondContact O-CA 3.34Å; Y308-V366 WeakPolarHBondContact O-CB 3.33Å; Y308-V366 WeakPolarHBondContact O-CG2 3.45Å; Y308-V366 PolarHBondContact O-N 3.45Å; D309-V366 HydrophobicContact CB-CG2 4.34Å; D310-V366 HydrophobicContact CB-CB 4.02Å; D310-V366 HydrophobicContact CB-CG1 4.08Å; D310-V366 WeakPolarHBondContact CB-O 3.39Å; L311-V366 PolarHBondContact N-O 3.46Å
367	I	97.7	Very high	94.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.5	171.1	-72	-65.3	0	0	0	109.5	L206 I207 I208 G209 K215 L311 S312 I378 P379 V382	L206-I367 HydrophobicContact CD1-CB 3.88Å; L206-I367 HydrophobicContact CD1-CG1 3.59Å; I207-I367 PolarHBondContact O-N 3.18Å; I208-I367 WeakPolarHBondContact CA-O 3.45Å; I208-I367 HydrophobicContact CB-CB 4.48Å; I208-I367 HydrophobicContact CD1-CG2 4.05Å; I208-I367 HydrophobicContact CG1-CB 4.35Å; I208-I367 HydrophobicContact CG1-CG2 4.13Å; G209-I367 PolarHBondContact N-O 2.82Å; K215-I367 WeakPolarHBondContact CD-O 3.44Å; L311-I367 HydrophobicContact CB-CD1 3.69Å; S312-I367 WeakPolarHBondContact OG-CD1 3.39Å; I367-I378 HydrophobicContact CD1-CG2 3.94Å; I367-P379 HydrophobicContact CG2-CB 4.39Å; I367-P379 HydrophobicContact CG2-CG 3.93Å; I367-V382 HydrophobicContact CD1-CG2 4.1Å; I367-V382 HydrophobicContact CG1-CB 4.26Å; I367-V382 HydrophobicContact CG1-CG1 4.24Å; I367-V382 HydrophobicContact CG1-CG2 4.23Å
368	E	95.4	Very high	94.2	Very high	34 Å²	34	27.2 Å²	27.2	16%	0.159	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123	168.6	-179.3	177.2	116.1	0	0	109.8	R211 S312 Q370	R211-E368 VanDerWaalsContact CG-CD 3.43Å; R211-E368 HydrophobicContact CG-CG 4.11Å; R211-E368 VanDerWaalsContact CG-OE2 3.23Å; R211-E368 WeakPolarHBondContact CG-OE2 3.11Å; R211-E368 IonicContact CZ-OE1 2.66Å; R211-E368 VanDerWaalsContact CZ-OE1 3.26Å; R211-E368 IonicContact NE-OE1 3.67Å; R211-E368 PolarHBondContact NE-OE1 2.9Å; R211-E368 IonicContact NE-OE2 3.57Å; R211-E368 PolarHBondContact NE-OE2 3.3Å; R211-E368 IonicContact NH2-OE1 2.85Å; R211-E368 PolarHBondContact NH2-OE1 3.34Å; S312-E368 PolarHBondContact OG-N 2.95Å; S312-E368 VanDerWaalsContact OG-N 3.11Å; S312-E368 PolarHBondContact OG-O 3.4Å; E368-Q370 PolarHBondContact OE1-NE2 2.72Å
369	T	94.1	Very high	94.2	Very high	4 Å²	4	26.9 Å²	26.9	3%	0.025	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-86.6	157.6	167.2	49.1	0	0	0	0	110.8	I208 G209 D210 P379	I208-T369 HydrophobicContact CD1-CG2 3.68Å; I208-T369 HydrophobicContact CG1-CG2 3.59Å; G209-T369 WeakPolarHBondContact CA-OG1 3.44Å; G209-T369 PolarHBondContact O-N 2.89Å; G209-T369 PolarHBondContact O-OG1 3.39Å; D210-T369 PolarHBondContact N-OG1 2.79Å; D210-T369 VanDerWaalsContact N-OG1 3.14Å; D210-T369 WeakPolarHBondContact OD1-CB 3.4Å; D210-T369 PolarHBondContact OD1-OG1 2.88Å; T369-P379 HydrophobicContact CG2-CG 4.29Å
370	Q	88.4	Confident	94.1	Very high	116 Å²	116	30 Å²	30	54%	0.542	19%	0.187	S	C	.	.	S	Bend	trans	-103.8	116.6	169.4	-60.4	-59.1	-40.4	0	0	107.9	E368 G372 D373	E368-Q370 PolarHBondContact OE1-NE2 2.72Å; Q370-G372 VanDerWaalsContact C-N 3.25Å; Q370-G372 PolarHBondContact O-N 2.87Å; Q370-D373 WeakPolarHBondContact O-CB 3.5Å; Q370-D373 PolarHBondContact O-N 3.43Å
371	A	87.8	Confident	93.9	Very high	102 Å²	102	30.8 Å²	30.8	84%	0.843	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	39.8	178.3	0	0	0	0	0	114.4	D210 D373	D210-A371 PolarHBondContact OD1-N 2.62Å; A371-D373 PolarHBondContact O-N 2.85Å
372	G	84.8	Confident	93.9	Very high	30 Å²	30	30.8 Å²	30.8	31%	0.309	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	5.2	178.6	0	0	0	0	0	115.1	D210 Q370 V374	D210-G372 VanDerWaalsContact CG-N 3.3Å; D210-G372 WeakPolarHBondContact OD1-CA 3.31Å; D210-G372 PolarHBondContact OD1-N 2.68Å; D210-G372 PolarHBondContact OD2-N 3.14Å; D210-G372 VanDerWaalsContact OD2-N 3.12Å; Q370-G372 VanDerWaalsContact C-N 3.25Å; Q370-G372 PolarHBondContact O-N 2.87Å; G372-V374 PolarHBondContact O-N 3.05Å
373	D	88.6	Confident	93.8	Very high	71 Å²	71	33 Å²	33	38%	0.38	20%	0.203	S	C	.	.			trans	-73.5	101.3	-177.2	-175.4	13.5	0	0	0	112.2	Q370 A371 S375 A376	Q370-D373 WeakPolarHBondContact O-CB 3.5Å; Q370-D373 PolarHBondContact O-N 3.43Å; A371-D373 PolarHBondContact O-N 2.85Å; D373-S375 VanDerWaalsContact C-N 3.34Å; D373-S375 WeakPolarHBondContact OD1-CA 3.39Å; D373-S375 WeakPolarHBondContact OD1-CB 3.14Å; D373-S375 PolarHBondContact OD1-N 3.11Å; D373-S375 PolarHBondContact OD1-OG 3.14Å; D373-A376 PolarHBondContact OD1-N 2.79Å
374	V	87.7	Confident	93.7	Very high	59 Å²	59	36.4 Å²	36.4	36%	0.358	23%	0.227	S	C	.	.	S	Bend	trans	-81.9	-12.6	173.2	-67	0	0	0	0	113.7	I208 G372 A376 T380 F391	I208-V374 HydrophobicContact CD1-CG1 4.4Å; G372-V374 PolarHBondContact O-N 3.05Å; V374-A376 VanDerWaalsContact C-N 3.34Å; V374-T380 PolarHBondContact O-OG1 3.38Å; V374-F391 HydrophobicContact CG1-CD2 4.02Å; V374-F391 HydrophobicContact CG1-CE2 3.18Å; V374-F391 HydrophobicContact CG1-CZ 3.77Å
375	S	89.5	Confident	93.6	Very high	73 Å²	73	36.9 Å²	36.9	51%	0.51	23%	0.229	S	C	.	.	S	Bend	trans	-87.4	-6.7	-178.4	77.7	0	0	0	0	113.4	R331 D373 T380	R331-S375 PolarHBondContact NH2-O 2.78Å; D373-S375 VanDerWaalsContact C-N 3.34Å; D373-S375 WeakPolarHBondContact OD1-CA 3.39Å; D373-S375 WeakPolarHBondContact OD1-CB 3.14Å; D373-S375 PolarHBondContact OD1-N 3.11Å; D373-S375 PolarHBondContact OD1-OG 3.14Å; S375-T380 PolarHBondContact O-OG1 2.93Å
376	A	92.9	Very high	93.6	Very high	19 Å²	19	36.9 Å²	36.9	16%	0.157	23%	0.229	C	C	.	.	S	Bend	trans	-57.1	153.7	170.4	0	0	0	0	0	111.5	D373 V374 I378 P379 T380	D373-A376 PolarHBondContact OD1-N 2.79Å; V374-A376 VanDerWaalsContact C-N 3.34Å; A376-I378 PolarHBondContact O-N 2.96Å; A376-P379 HydrophobicContact CB-CG 4.05Å; A376-P379 WeakPolarHBondContact O-CD 3.5Å; A376-T380 WeakPolarHBondContact O-CB 3.03Å; A376-T380 PolarHBondContact O-N 3.47Å; A376-T380 VanDerWaalsContact O-N 3.12Å; A376-T380 PolarHBondContact O-OG1 3.48Å
377	Y	92.6	Very high	93.6	Very high	44 Å²	44	38.5 Å²	38.5	17%	0.173	24%	0.237	C	C	.	.	H	α-helix	trans	-61.9	-46.1	-167.1	-175.7	-141.4	0	0	0	113.7	R331 E332 Y334 V338 N381	R331-Y377 HydrophobicContact CB-CD1 4.33Å; R331-Y377 HydrophobicContact CB-CE1 4.47Å; R331-Y377 HydrophobicContact CG-CG 4.35Å; E332-Y377 VanDerWaalsContact OE1-CB 3.29Å; E332-Y377 WeakPolarHBondContact OE1-CB 3.31Å; E332-Y377 PolarHBondContact OE1-N 3.5Å; E332-Y377 VanDerWaalsContact OE1-N 3.15Å; Y334-Y377 AromaticContact CD2-CD1 3.83Å; Y334-Y377 HydrophobicContact CD2-CD1 3.83Å; Y334-Y377 HydrophobicContact CD2-CE1 4.5Å; Y334-Y377 HydrophobicContact CG-CD1 4.28Å; V338-Y377 HydrophobicContact CG1-CD1 4.28Å; V338-Y377 HydrophobicContact CG1-CE1 3.41Å; V338-Y377 VanDerWaalsContact CG1-CE1 3.41Å; Y377-N381 VanDerWaalsContact CE2-ND2 3.34Å; Y377-N381 WeakPolarHBondContact CE2-ND2 3.48Å; Y377-N381 PolarHBondContact O-N 3.1Å; Y377-N381 VanDerWaalsContact O-N 3.12Å; Y377-N381 PolarHBondContact O-ND2 2.77Å
378	I	95.4	Very high	93.5	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-69.5	-49.5	-178.4	-58.4	-57.1	0	0	0	112.7	A315 Y334 V338 I367 A376 T380 N381 V382	A315-I378 HydrophobicContact CB-CD1 3.79Å; A315-I378 HydrophobicContact CB-CG1 4Å; A315-I378 HydrophobicContact CB-CG2 4.32Å; Y334-I378 HydrophobicContact CD1-CD1 4.05Å; Y334-I378 HydrophobicContact CD2-CD1 4.23Å; Y334-I378 HydrophobicContact CD2-CG1 4.39Å; Y334-I378 HydrophobicContact CE1-CD1 3.92Å; Y334-I378 HydrophobicContact CE1-CG1 4.02Å; Y334-I378 HydrophobicContact CE2-CD1 4.07Å; Y334-I378 HydrophobicContact CE2-CG1 3.76Å; Y334-I378 HydrophobicContact CG-CD1 4.21Å; V338-I378 HydrophobicContact CG1-CD1 4.32Å; V338-I378 HydrophobicContact CG2-CD1 3.73Å; I367-I378 HydrophobicContact CD1-CG2 3.94Å; A376-I378 PolarHBondContact O-N 2.96Å; I378-T380 VanDerWaalsContact C-N 3.32Å; I378-T380 PolarHBondContact O-N 3.31Å; I378-N381 PolarHBondContact O-N 3.13Å; I378-V382 HydrophobicContact CG2-CG2 4.36Å; I378-V382 WeakPolarHBondContact O-CG2 3.47Å; I378-V382 PolarHBondContact O-N 3.36Å
379	P	95.8	Very high	93.6	Very high	7 Å²	7	38.4 Å²	38.4	5%	0.045	24%	0.237	C	C	.	.	H	α-helix	trans	-50.2	-49.5	172.1	-32.4	38.3	0	0	0	113.6	I208 I367 T369 A376 N381 V382 I383	I208-P379 HydrophobicContact CD1-CB 3.85Å; I208-P379 HydrophobicContact CD1-CG 4.5Å; I367-P379 HydrophobicContact CG2-CB 4.39Å; I367-P379 HydrophobicContact CG2-CG 3.93Å; T369-P379 HydrophobicContact CG2-CG 4.29Å; A376-P379 HydrophobicContact CB-CG 4.05Å; A376-P379 WeakPolarHBondContact O-CD 3.5Å; P379-N381 VanDerWaalsContact C-N 3.34Å; P379-N381 PolarHBondContact O-N 3.31Å; P379-V382 PolarHBondContact O-N 3.43Å; P379-I383 WeakPolarHBondContact O-CB 3.27Å; P379-I383 WeakPolarHBondContact O-CD1 3.29Å; P379-I383 VanDerWaalsContact O-CG1 3.23Å; P379-I383 WeakPolarHBondContact O-CG1 3.01Å; P379-I383 PolarHBondContact O-N 3.01Å
380	T	95.3	Very high	93.8	Very high	65 Å²	65	38.2 Å²	38.2	40%	0.399	24%	0.236	S	C	.	.	H	α-helix	trans	-59	-45.1	-179.5	-56.9	0	0	0	0	111.6	V374 S375 A376 I378 S384	V374-T380 PolarHBondContact O-OG1 3.38Å; S375-T380 PolarHBondContact O-OG1 2.93Å; A376-T380 WeakPolarHBondContact O-CB 3.03Å; A376-T380 PolarHBondContact O-N 3.47Å; A376-T380 VanDerWaalsContact O-N 3.12Å; A376-T380 PolarHBondContact O-OG1 3.48Å; I378-T380 VanDerWaalsContact C-N 3.32Å; I378-T380 PolarHBondContact O-N 3.31Å; T380-S384 PolarHBondContact O-N 3.1Å
381	N	95.1	Very high	94.2	Very high	16 Å²	16	33.4 Å²	33.4	9%	0.086	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-50.3	177.6	-72.1	-15.5	0	0	0	111.3	F339 Y377 I378 P379 I383 S384 I385	F339-N381 HydrophobicContact CD2-CB 3.97Å; Y377-N381 VanDerWaalsContact CE2-ND2 3.34Å; Y377-N381 WeakPolarHBondContact CE2-ND2 3.48Å; Y377-N381 PolarHBondContact O-N 3.1Å; Y377-N381 VanDerWaalsContact O-N 3.12Å; Y377-N381 PolarHBondContact O-ND2 2.77Å; I378-N381 PolarHBondContact O-N 3.13Å; P379-N381 VanDerWaalsContact C-N 3.34Å; P379-N381 PolarHBondContact O-N 3.31Å; N381-I383 PolarHBondContact O-N 3.48Å; N381-S384 PolarHBondContact O-N 3.45Å; N381-S384 PolarHBondContact O-OG 3.48Å; N381-I385 WeakPolarHBondContact O-CD1 3.41Å; N381-I385 WeakPolarHBondContact O-CG1 3.45Å; N381-I385 PolarHBondContact O-N 2.92Å
382	V	96.9	Very high	94.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.8	-37.3	-175.3	-177.1	0	0	0	0	111.5	L206 L346 P365 I367 I378 P379 S384 I385 T386	L206-V382 HydrophobicContact CD1-CG1 3.79Å; L206-V382 HydrophobicContact CD2-CB 4.47Å; L206-V382 HydrophobicContact CD2-CG1 4.11Å; L206-V382 HydrophobicContact CG-CG1 4.43Å; L346-V382 HydrophobicContact CD1-CG1 4.11Å; P365-V382 HydrophobicContact CG-CG1 4.48Å; I367-V382 HydrophobicContact CD1-CG2 4.1Å; I367-V382 HydrophobicContact CG1-CB 4.26Å; I367-V382 HydrophobicContact CG1-CG1 4.24Å; I367-V382 HydrophobicContact CG1-CG2 4.23Å; I378-V382 HydrophobicContact CG2-CG2 4.36Å; I378-V382 WeakPolarHBondContact O-CG2 3.47Å; I378-V382 PolarHBondContact O-N 3.36Å; P379-V382 PolarHBondContact O-N 3.43Å; V382-S384 VanDerWaalsContact C-N 3.25Å; V382-S384 PolarHBondContact O-N 2.71Å; V382-I385 PolarHBondContact O-N 2.95Å; V382-I385 VanDerWaalsContact O-N 3.12Å; V382-T386 HydrophobicContact CG1-CG2 4.19Å; V382-T386 PolarHBondContact O-N 2.66Å; V382-T386 PolarHBondContact O-OG1 2.78Å
383	I	96.9	Very high	95	Very high	48 Å²	48	29.2 Å²	29.2	25%	0.246	17%	0.168	C	C	.	.	H	α-helix	trans	-56.3	-42.2	173	-70	164.7	0	0	0	110.8	L206 I208 P379 N381 I385 T386 R413	L206-I383 HydrophobicContact CD2-CG1 3.62Å; I208-I383 HydrophobicContact CD1-CD1 4.3Å; P379-I383 WeakPolarHBondContact O-CB 3.27Å; P379-I383 WeakPolarHBondContact O-CD1 3.29Å; P379-I383 VanDerWaalsContact O-CG1 3.23Å; P379-I383 WeakPolarHBondContact O-CG1 3.01Å; P379-I383 PolarHBondContact O-N 3.01Å; N381-I383 PolarHBondContact O-N 3.48Å; I383-I385 VanDerWaalsContact C-N 3.33Å; I383-I385 PolarHBondContact O-N 3.02Å; I383-T386 PolarHBondContact O-N 2.83Å; I383-R413 PolarHBondContact O-NH2 3.3Å
384	S	96.8	Very high	95.2	Very high	71 Å²	71	27.6 Å²	27.6	50%	0.497	16%	0.161	S	C	.	.	H	α-helix	trans	-70.1	-27.4	179.8	75	0	0	0	0	114	F339 T380 N381 V382	F339-S384 WeakPolarHBondContact CE2-OG 3.4Å; T380-S384 PolarHBondContact O-N 3.1Å; N381-S384 PolarHBondContact O-N 3.45Å; N381-S384 PolarHBondContact O-OG 3.48Å; V382-S384 VanDerWaalsContact C-N 3.25Å; V382-S384 PolarHBondContact O-N 2.71Å
385	I	97.5	Very high	95.4	Very high	10 Å²	10	31 Å²	31	5%	0.051	17%	0.173	C	C	.	.	H	α-helix	trans	-84.3	-28.8	177	-62	160	0	0	0	111.5	F339 H342 L346 N381 V382 I383	F339-I385 HydrophobicContact CD2-CD1 4.1Å; F339-I385 HydrophobicContact CD2-CG1 4.48Å; F339-I385 HydrophobicContact CE2-CD1 3.8Å; F339-I385 HydrophobicContact CE2-CG1 3.69Å; F339-I385 HydrophobicContact CZ-CD1 4.14Å; F339-I385 HydrophobicContact CZ-CG1 3.77Å; H342-I385 HydrophobicContact CB-CD1 3.86Å; L346-I385 HydrophobicContact CB-CG2 3.78Å; L346-I385 HydrophobicContact CD1-CB 4.43Å; L346-I385 HydrophobicContact CD1-CG2 3.79Å; L346-I385 HydrophobicContact CG-CG2 4.4Å; N381-I385 WeakPolarHBondContact O-CD1 3.41Å; N381-I385 WeakPolarHBondContact O-CG1 3.45Å; N381-I385 PolarHBondContact O-N 2.92Å; V382-I385 PolarHBondContact O-N 2.95Å; V382-I385 VanDerWaalsContact O-N 3.12Å; I383-I385 VanDerWaalsContact C-N 3.33Å; I383-I385 PolarHBondContact O-N 3.02Å
386	T	97.9	Very high	95.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	15%	0.152	C	C	.	.			trans	-29.4	156.4	166.8	90.7	0	0	0	0	116.5	R204 L206 L346 P365 V382 I383 G388 R413	R204-T386 HydrophobicContact CB-CG2 4.02Å; R204-T386 WeakPolarHBondContact O-CB 3.4Å; L206-T386 HydrophobicContact CB-CG2 4.34Å; L206-T386 VanDerWaalsContact CB-OG1 3.23Å; L206-T386 WeakPolarHBondContact CB-OG1 3.23Å; L346-T386 HydrophobicContact CD1-CG2 3.96Å; P365-T386 HydrophobicContact CG-CG2 3.97Å; V382-T386 HydrophobicContact CG1-CG2 4.19Å; V382-T386 PolarHBondContact O-N 2.66Å; V382-T386 PolarHBondContact O-OG1 2.78Å; I383-T386 PolarHBondContact O-N 2.83Å; T386-G388 WeakPolarHBondContact CB-O 3.39Å; T386-G388 PolarHBondContact OG1-O 2.76Å; T386-R413 PolarHBondContact O-NH1 3.28Å; T386-R413 PolarHBondContact O-NH2 3.4Å
387	D	97.4	Very high	95.5	Very high	33 Å²	33	29.2 Å²	29.2	18%	0.176	15%	0.153	C	C	.	.	S	Bend	trans	-98.5	-9.3	143.3	-57.8	-55.9	0	0	0	111.2	Q203 R204 R413	Q203-D387 HydrophobicContact CG-CB 3.78Å; R204-D387 WeakPolarHBondContact CB-OD2 3.24Å; R204-D387 IonicContact CZ-OD1 3.34Å; R204-D387 IonicContact CZ-OD2 3.59Å; R204-D387 PolarHBondContact N-OD2 3.11Å; R204-D387 IonicContact NE-OD1 2.69Å; R204-D387 IonicContact NE-OD2 3.19Å; R204-D387 PolarHBondContact NE-OD2 2.99Å; R204-D387 IonicContact NH2-OD1 2.81Å; R204-D387 PolarHBondContact NH2-OD1 2.85Å; R204-D387 IonicContact NH2-OD2 3.45Å; R204-D387 PolarHBondContact NH2-OD2 2.96Å; R204-D387 WeakPolarHBondContact O-CA 3.25Å; R204-D387 WeakPolarHBondContact O-CB 3.46Å; R204-D387 PolarHBondContact O-N 2.82Å; D387-R413 WeakPolarHBondContact O-CB 3.4Å; D387-R413 WeakPolarHBondContact O-CD 3.03Å; D387-R413 WeakPolarHBondContact O-CG 3.5Å; D387-R413 PolarHBondContact O-N 2.95Å; D387-R413 PolarHBondContact O-NE 3.16Å
388	G	96.9	Very high	95.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.8	-179	179.3	0	0	0	0	0	111.7	R204 E205 L206 T386 V411	R204-G388 PolarHBondContact O-N 2.88Å; E205-G388 VanDerWaalsContact OE1-C 3.28Å; E205-G388 VanDerWaalsContact OE2-CA 3.27Å; E205-G388 WeakPolarHBondContact OE2-CA 3.39Å; L206-G388 WeakPolarHBondContact CB-O 3.43Å; L206-G388 PolarHBondContact N-O 3.11Å; T386-G388 WeakPolarHBondContact CB-O 3.39Å; T386-G388 PolarHBondContact OG1-O 2.76Å; G388-V411 CarbonylContact C-O 3.56Å; G388-V411 WeakPolarHBondContact CA-O 3.46Å
389	Q	97.4	Very high	95.2	Very high	33 Å²	33	42 Å²	42	15%	0.154	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	143.5	175.8	71.8	-80	-0.5	0	0	112.4	E205 L206 I208 L409 S410 V411	E205-Q389 PolarHBondContact OE1-N 3.41Å; L206-Q389 HydrophobicContact CB-CB 4.04Å; L206-Q389 HydrophobicContact CD2-CB 4.22Å; L206-Q389 HydrophobicContact CG-CB 4.31Å; L206-Q389 CarbonylContact O-C 3.49Å; L206-Q389 WeakPolarHBondContact O-CA 3.33Å; I208-Q389 HydrophobicContact CG2-CB 4.16Å; Q389-L409 PolarHBondContact NE2-O 2.74Å; Q389-S410 CarbonylContact O-C 3.58Å; Q389-S410 WeakPolarHBondContact O-CA 3.3Å; Q389-S410 WeakPolarHBondContact O-CB 3.36Å; Q389-V411 PolarHBondContact N-O 3.14Å; Q389-V411 PolarHBondContact O-N 2.58Å
390	I	97.8	Very high	95	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	109.1	165.2	-60.3	167.6	0	0	0	106.5	V193 V197 I199 E205 L206 I207 I208 I218 L392 I405	V193-I390 HydrophobicContact CG1-CD1 3.78Å; V193-I390 HydrophobicContact CG2-CD1 4.1Å; V197-I390 HydrophobicContact CB-CG1 4.35Å; V197-I390 HydrophobicContact CG1-CG1 3.97Å; I199-I390 HydrophobicContact CD1-CD1 4.09Å; E205-I390 HydrophobicContact CG-CD1 4.05Å; E205-I390 HydrophobicContact CG-CG1 4.05Å; L206-I390 PolarHBondContact O-N 2.85Å; I207-I390 HydrophobicContact CG1-CD1 4.49Å; I208-I390 PolarHBondContact N-O 3.05Å; I218-I390 HydrophobicContact CD1-CG2 4.36Å; I390-L392 HydrophobicContact CG2-CD2 4.11Å; I390-I405 HydrophobicContact CG2-CD1 3.99Å; I390-I405 HydrophobicContact CG2-CG1 3.94Å; I390-I405 HydrophobicContact CG2-CG2 4.25Å
391	F	96.8	Very high	94.9	Very high	15 Å²	15	41.8 Å²	41.8	7%	0.066	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	120.7	-178.7	-166.5	-95.1	0	0	0	110.8	I208 V374 E393 I405 N406 L409 S410	I208-F391 HydrophobicContact CG1-CD2 4.39Å; I208-F391 HydrophobicContact CG1-CE2 4.33Å; I208-F391 HydrophobicContact CG2-CB 4.41Å; I208-F391 HydrophobicContact CG2-CD2 3.68Å; I208-F391 HydrophobicContact CG2-CE2 4.44Å; I208-F391 CarbonylContact O-C 3.59Å; I208-F391 WeakPolarHBondContact O-CA 3.42Å; V374-F391 HydrophobicContact CG1-CD2 4.02Å; V374-F391 HydrophobicContact CG1-CE2 3.18Å; V374-F391 HydrophobicContact CG1-CZ 3.77Å; F391-E393 HydrophobicContact CD1-CG 3.81Å; F391-E393 HydrophobicContact CE1-CG 3.6Å; F391-I405 WeakPolarHBondContact O-CA 3.45Å; F391-N406 HydrophobicContact CD1-CB 4.02Å; F391-N406 PolarHBondContact O-N 3.19Å; F391-L409 HydrophobicContact CB-CB 3.91Å; F391-L409 HydrophobicContact CD1-CB 4.13Å; F391-L409 HydrophobicContact CD1-CD1 3.63Å; F391-L409 HydrophobicContact CE1-CD1 3.73Å; F391-L409 HydrophobicContact CG-CB 4.04Å; F391-L409 HydrophobicContact CG-CD1 4.17Å; F391-L409 HydrophobicContact CZ-CD1 4.4Å; F391-S410 PolarHBondContact N-OG 2.8Å
392	L	96.5	Very high	94.9	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.1	178.4	-56.6	-174.3	0	0	0	111.8	I207 I208 G209 K215 I218 I390 A404 I405	I207-L392 HydrophobicContact CG2-CD1 4.37Å; I208-L392 PolarHBondContact O-N 3.12Å; G209-L392 WeakPolarHBondContact CA-O 3.47Å; K215-L392 HydrophobicContact CB-CD1 4.25Å; K215-L392 HydrophobicContact CG-CD1 3.66Å; I218-L392 HydrophobicContact CD1-CD1 3.9Å; I218-L392 HydrophobicContact CD1-CD2 3.72Å; I218-L392 HydrophobicContact CD1-CG 4.34Å; I390-L392 HydrophobicContact CG2-CD2 4.11Å; L392-A404 VanDerWaalsContact CA-O 3.26Å; L392-A404 WeakPolarHBondContact CA-O 3.5Å; L392-I405 HydrophobicContact CD2-CB 4.39Å; L392-I405 HydrophobicContact CD2-CG1 3.6Å
393	E	93.4	Very high	94.8	Very high	42 Å²	42	48 Å²	48	20%	0.196	24%	0.235	C	C	.	.			trans	-104.8	133.4	-179.1	-76.9	179.4	158.8	0	0	112.7	F391 E395 L396 F397 A404 N406 R438	F391-E393 HydrophobicContact CD1-CG 3.81Å; F391-E393 HydrophobicContact CE1-CG 3.6Å; E393-E395 VanDerWaalsContact C-N 3.31Å; E393-E395 PolarHBondContact O-N 3.02Å; E393-L396 HydrophobicContact CB-CB 4.29Å; E393-L396 HydrophobicContact CB-CD1 3.9Å; E393-L396 HydrophobicContact CB-CG 3.89Å; E393-L396 HydrophobicContact CG-CD1 4.5Å; E393-L396 PolarHBondContact O-N 2.96Å; E393-L396 WeakPolarHBondContact OE2-CD1 3.45Å; E393-F397 PolarHBondContact O-N 2.67Å; E393-A404 PolarHBondContact N-O 2.74Å; E393-A404 WeakPolarHBondContact O-CB 3.48Å; E393-N406 HydrophobicContact CG-CB 4.01Å; E393-N406 PolarHBondContact OE1-ND2 3.26Å; E393-N406 PolarHBondContact OE2-ND2 2.86Å; E393-R438 IonicContact OE2-NH1 3.31Å; E393-R438 PolarHBondContact OE2-NH1 3.47Å
394	T	92.9	Very high	94.7	Very high	36 Å²	36	45.8 Å²	45.8	22%	0.221	22%	0.224	C	C	.	.	H	α-helix	trans	-62	-38.1	174.8	-55.2	0	0	0	0	112	D210 T213 F397 Y398	D210-T394 WeakPolarHBondContact CB-OG1 3.49Å; D210-T394 PolarHBondContact OD2-OG1 2.75Å; T213-T394 WeakPolarHBondContact CG2-OG1 3.37Å; T394-F397 WeakPolarHBondContact O-CB 3.33Å; T394-F397 PolarHBondContact O-N 2.81Å; T394-Y398 HydrophobicContact CG2-CD2 3.78Å; T394-Y398 HydrophobicContact CG2-CE2 3.25Å; T394-Y398 VanDerWaalsContact O-CD2 3.29Å; T394-Y398 WeakPolarHBondContact O-CD2 3.33Å; T394-Y398 PolarHBondContact O-N 3.45Å; T394-Y398 VanDerWaalsContact O-N 3.08Å
395	E	91.7	Very high	94.6	Very high	131 Å²	131	42.8 Å²	42.8	61%	0.612	20%	0.202	S	C	*	.	H	α-helix	trans	-64.1	-43.9	179.6	-65.7	-172	-174.1	0	0	113	E393 F397 Y398 K399	E393-E395 VanDerWaalsContact C-N 3.31Å; E393-E395 PolarHBondContact O-N 3.02Å; E395-F397 VanDerWaalsContact C-N 3.26Å; E395-F397 PolarHBondContact O-N 2.89Å; E395-Y398 PolarHBondContact O-N 2.75Å; E395-K399 WeakPolarHBondContact O-CG 3.44Å; E395-K399 PolarHBondContact O-N 2.96Å
396	L	92.3	Very high	94.4	Very high	13 Å²	13	43 Å²	43	7%	0.068	20%	0.203	C	C	.	.	H	α-helix	trans	-62.4	-39.3	176.5	-62.2	176.4	0	0	0	110.8	E393 Y398 K399 G400 I401 A404 I405 N406	E393-L396 HydrophobicContact CB-CB 4.29Å; E393-L396 HydrophobicContact CB-CD1 3.9Å; E393-L396 HydrophobicContact CB-CG 3.89Å; E393-L396 HydrophobicContact CG-CD1 4.5Å; E393-L396 PolarHBondContact O-N 2.96Å; E393-L396 WeakPolarHBondContact OE2-CD1 3.45Å; L396-Y398 VanDerWaalsContact C-N 3.34Å; L396-Y398 PolarHBondContact O-N 3.02Å; L396-K399 CarbonylContact O-C 3.51Å; L396-K399 PolarHBondContact O-N 3.28Å; L396-G400 PolarHBondContact O-N 3.3Å; L396-I401 HydrophobicContact CB-CB 4.25Å; L396-I401 HydrophobicContact CD2-CD1 3.83Å; L396-I401 WeakPolarHBondContact O-CB 3.38Å; L396-I401 PolarHBondContact O-N 2.97Å; L396-A404 HydrophobicContact CB-CB 4.07Å; L396-I405 WeakPolarHBondContact CD1-O 3.45Å; L396-N406 HydrophobicContact CD1-CB 4.46Å
397	F	92.1	Very high	94.1	Very high	41 Å²	41	43.4 Å²	43.4	18%	0.18	21%	0.206	C	C	.	.	H	α-helix	trans	-61.1	-42.4	177.7	-172.9	-89.3	0	0	0	112.2	E393 T394 E395 G400 R402 A404	E393-F397 PolarHBondContact O-N 2.67Å; T394-F397 WeakPolarHBondContact O-CB 3.33Å; T394-F397 PolarHBondContact O-N 2.81Å; E395-F397 VanDerWaalsContact C-N 3.26Å; E395-F397 PolarHBondContact O-N 2.89Å; F397-G400 PolarHBondContact O-N 3.45Å; F397-R402 HydrophobicContact CD2-CG 4.17Å; F397-R402 HydrophobicContact CE2-CG 4.26Å; F397-A404 HydrophobicContact CB-CB 3.81Å; F397-A404 HydrophobicContact CD2-CB 4.28Å
398	Y	91.9	Very high	93.6	Very high	178 Å²	178	44.2 Å²	44.2	70%	0.698	22%	0.222	S	C	*	.	H	α-helix	trans	-73	-29.5	176.2	-68.9	-48.7	0	0	0	113.4	T394 E395 L396 G400	T394-Y398 HydrophobicContact CG2-CD2 3.78Å; T394-Y398 HydrophobicContact CG2-CE2 3.25Å; T394-Y398 VanDerWaalsContact O-CD2 3.29Å; T394-Y398 WeakPolarHBondContact O-CD2 3.33Å; T394-Y398 PolarHBondContact O-N 3.45Å; T394-Y398 VanDerWaalsContact O-N 3.08Å; E395-Y398 PolarHBondContact O-N 2.75Å; L396-Y398 VanDerWaalsContact C-N 3.34Å; L396-Y398 PolarHBondContact O-N 3.02Å; Y398-G400 PolarHBondContact O-N 2.99Å
399	K	90.8	Very high	93.4	Very high	141 Å²	141	48.2 Å²	48.2	61%	0.613	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	1.8	169.9	-70.4	172.6	-179.2	169.8	0	113.5	E395 L396 I401	E395-K399 WeakPolarHBondContact O-CG 3.44Å; E395-K399 PolarHBondContact O-N 2.96Å; L396-K399 CarbonylContact O-C 3.51Å; L396-K399 PolarHBondContact O-N 3.28Å; K399-I401 VanDerWaalsContact C-N 3.32Å; K399-I401 PolarHBondContact O-N 2.86Å
400	G	91.1	Very high	93.3	Very high	34 Å²	34	46.7 Å²	46.7	35%	0.351	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	12.9	178.4	0	0	0	0	0	114.4	L396 F397 Y398 R402 K469	L396-G400 PolarHBondContact O-N 3.3Å; F397-G400 PolarHBondContact O-N 3.45Å; Y398-G400 PolarHBondContact O-N 2.99Å; G400-R402 PolarHBondContact O-N 3.15Å; G400-K469 VanDerWaalsContact O-CE 3.32Å; G400-K469 WeakPolarHBondContact O-CE 3.44Å
401	I	92.8	Very high	93.2	Very high	32 Å²	32	49.2 Å²	49.2	16%	0.164	25%	0.251	C	S	.	.			trans	-85.1	109.2	172.7	-59.2	166.6	0	0	0	107.6	L396 K399 A404 T465	L396-I401 HydrophobicContact CB-CB 4.25Å; L396-I401 HydrophobicContact CD2-CD1 3.83Å; L396-I401 WeakPolarHBondContact O-CB 3.38Å; L396-I401 PolarHBondContact O-N 2.97Å; K399-I401 VanDerWaalsContact C-N 3.32Å; K399-I401 PolarHBondContact O-N 2.86Å; I401-A404 WeakPolarHBondContact O-CA 3.49Å; I401-T465 HydrophobicContact CD1-CG2 3.68Å; I401-T465 HydrophobicContact CG1-CG2 4.06Å; I401-T465 HydrophobicContact CG2-CG2 4.44Å
402	R	94.4	Very high	93.1	Very high	121 Å²	121	49.2 Å²	49.2	46%	0.457	25%	0.253	S	S	.	.	S	Bend	trans	-134.7	123.9	-177.5	-63	-179.1	-176.4	169.5	2.5	108.5	F397 G400 K469 Q470	F397-R402 HydrophobicContact CD2-CG 4.17Å; F397-R402 HydrophobicContact CE2-CG 4.26Å; G400-R402 PolarHBondContact O-N 3.15Å; R402-K469 CarbonylContact O-C 3.55Å; R402-K469 VanDerWaalsContact O-CA 3.31Å; R402-K469 WeakPolarHBondContact O-CA 3.48Å; R402-Q470 PolarHBondContact O-N 2.88Å; R402-Q470 VanDerWaalsContact O-O 3.11Å
403	P	95.2	Very high	93.1	Very high	26 Å²	26	55.5 Å²	55.5	17%	0.169	28%	0.276	C	S	.	.	S	Bend	cis	-66.7	145.8	-0.1	31.4	-37.6	0	0	0	112.8	I190 A192 I218 I405	I190-P403 HydrophobicContact CG2-CG 3.75Å; A192-P403 HydrophobicContact CB-CG 4.06Å; I218-P403 HydrophobicContact CD1-CB 4.29Å; I218-P403 HydrophobicContact CG1-CB 4.45Å; P403-I405 HydrophobicContact CB-CD1 4.23Å; P403-I405 HydrophobicContact CB-CG1 4.14Å; P403-I405 HydrophobicContact CG-CD1 4.02Å; P403-I405 HydrophobicContact CG-CG1 4.32Å; P403-I405 PolarHBondContact O-N 2.94Å
404	A	94.9	Very high	93.1	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.008	28%	0.278	C	S	.	.			trans	-83.6	49.8	-169.4	0	0	0	0	0	113.2	L392 E393 L396 F397 I401	L392-A404 VanDerWaalsContact CA-O 3.26Å; L392-A404 WeakPolarHBondContact CA-O 3.5Å; E393-A404 PolarHBondContact N-O 2.74Å; E393-A404 WeakPolarHBondContact O-CB 3.48Å; L396-A404 HydrophobicContact CB-CB 4.07Å; F397-A404 HydrophobicContact CB-CB 3.81Å; F397-A404 HydrophobicContact CD2-CB 4.28Å; I401-A404 WeakPolarHBondContact O-CA 3.49Å
405	I	95.1	Very high	93	Very high	8 Å²	8	54.5 Å²	54.5	4%	0.041	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-81.1	126.2	-172.4	-59.9	175.7	0	0	0	110.8	A192 V193 I218 I390 F391 L392 L396 P403 V407 S410 R438	A192-I405 HydrophobicContact CB-CD1 3.84Å; V193-I405 HydrophobicContact CG2-CD1 3.54Å; I218-I405 HydrophobicContact CD1-CD1 4.49Å; I390-I405 HydrophobicContact CG2-CD1 3.99Å; I390-I405 HydrophobicContact CG2-CG1 3.94Å; I390-I405 HydrophobicContact CG2-CG2 4.25Å; F391-I405 WeakPolarHBondContact O-CA 3.45Å; L392-I405 HydrophobicContact CD2-CB 4.39Å; L392-I405 HydrophobicContact CD2-CG1 3.6Å; L396-I405 WeakPolarHBondContact CD1-O 3.45Å; P403-I405 HydrophobicContact CB-CD1 4.23Å; P403-I405 HydrophobicContact CB-CG1 4.14Å; P403-I405 HydrophobicContact CG-CD1 4.02Å; P403-I405 HydrophobicContact CG-CG1 4.32Å; P403-I405 PolarHBondContact O-N 2.94Å; I405-V407 PolarHBondContact O-N 3.49Å; I405-S410 WeakPolarHBondContact CG2-OG 3.44Å; I405-R438 PolarHBondContact O-NH2 3.46Å
406	N	93.5	Very high	93	Very high	14 Å²	14	50.7 Å²	50.7	8%	0.075	27%	0.265	C	S	.	.			trans	-79	113.2	166.2	-177.9	-38.4	0	0	0	109.8	F391 E393 L396 G408 L409 S410 R438	F391-N406 HydrophobicContact CD1-CB 4.02Å; F391-N406 PolarHBondContact O-N 3.19Å; E393-N406 HydrophobicContact CG-CB 4.01Å; E393-N406 PolarHBondContact OE1-ND2 3.26Å; E393-N406 PolarHBondContact OE2-ND2 2.86Å; L396-N406 HydrophobicContact CD1-CB 4.46Å; N406-G408 VanDerWaalsContact C-N 3.34Å; N406-G408 PolarHBondContact O-N 2.69Å; N406-G408 WeakPolarHBondContact OD1-CA 3.43Å; N406-G408 PolarHBondContact OD1-N 3.01Å; N406-L409 HydrophobicContact CB-CB 4.25Å; N406-L409 PolarHBondContact OD1-N 2.73Å; N406-S410 WeakPolarHBondContact O-CB 3.39Å; N406-S410 PolarHBondContact O-N 3.37Å; N406-S410 PolarHBondContact O-OG 2.68Å; N406-R438 PolarHBondContact ND2-NH1 2.77Å; N406-R438 VanDerWaalsContact ND2-NH1 3.11Å; N406-R438 PolarHBondContact OD1-NH1 3.4Å
407	V	90.6	Very high	93.1	Very high	11 Å²	11	52.4 Å²	52.4	7%	0.067	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-32.5	-177.8	-175.4	0	0	0	0	113.5	L196 I405 K431 L434	L196-V407 HydrophobicContact CD1-CB 4.45Å; L196-V407 HydrophobicContact CD1-CG1 4.05Å; L196-V407 HydrophobicContact CD1-CG2 3.71Å; I405-V407 PolarHBondContact O-N 3.49Å; V407-K431 HydrophobicContact CG1-CG 4.02Å; V407-L434 HydrophobicContact CG1-CB 4Å; V407-L434 HydrophobicContact CG2-CB 4.47Å; V407-L434 HydrophobicContact CG2-CD1 4.34Å
408	G	88.4	Confident	93.2	Very high	49 Å²	49	50.6 Å²	50.6	51%	0.505	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-43.7	-178.9	0	0	0	0	0	113.1	N406	N406-G408 VanDerWaalsContact C-N 3.34Å; N406-G408 PolarHBondContact O-N 2.69Å; N406-G408 WeakPolarHBondContact OD1-CA 3.43Å; N406-G408 PolarHBondContact OD1-N 3.01Å
409	L	91.6	Very high	93.2	Very high	85 Å²	85	43.6 Å²	43.6	45%	0.445	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-21.5	-179.8	-64.9	178.9	0	0	0	113.2	Q389 F391 N406	Q389-L409 PolarHBondContact NE2-O 2.74Å; F391-L409 HydrophobicContact CB-CB 3.91Å; F391-L409 HydrophobicContact CD1-CB 4.13Å; F391-L409 HydrophobicContact CD1-CD1 3.63Å; F391-L409 HydrophobicContact CE1-CD1 3.73Å; F391-L409 HydrophobicContact CG-CB 4.04Å; F391-L409 HydrophobicContact CG-CD1 4.17Å; F391-L409 HydrophobicContact CZ-CD1 4.4Å; N406-L409 HydrophobicContact CB-CB 4.25Å; N406-L409 PolarHBondContact OD1-N 2.73Å
410	S	95.2	Very high	93.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.227	C	C	.	.			trans	-84.3	131.1	178.6	-52.6	0	0	0	0	112.1	Q389 F391 I405 N406 K431	Q389-S410 CarbonylContact O-C 3.58Å; Q389-S410 WeakPolarHBondContact O-CA 3.3Å; Q389-S410 WeakPolarHBondContact O-CB 3.36Å; F391-S410 PolarHBondContact N-OG 2.8Å; I405-S410 WeakPolarHBondContact CG2-OG 3.44Å; N406-S410 WeakPolarHBondContact O-CB 3.39Å; N406-S410 PolarHBondContact O-N 3.37Å; N406-S410 PolarHBondContact O-OG 2.68Å; S410-K431 PolarHBondContact O-NZ 3.11Å
411	V	95.7	Very high	93.5	Very high	54 Å²	54	44.1 Å²	44.1	33%	0.327	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	134.8	-171.4	177.4	0	0	0	0	109.8	E205 G388 Q389	E205-V411 VanDerWaalsContact OE1-O 3.08Å; G388-V411 CarbonylContact C-O 3.56Å; G388-V411 WeakPolarHBondContact CA-O 3.46Å; Q389-V411 PolarHBondContact N-O 3.14Å; Q389-V411 PolarHBondContact O-N 2.58Å
412	S	95.9	Very high	93.5	Very high	14 Å²	14	42.7 Å²	42.7	10%	0.098	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	116.7	166	165.5	0	0	0	0	107.7	P198 Q203 V414 G415	P198-S412 WeakPolarHBondContact O-CB 3.37Å; P198-S412 PolarHBondContact O-OG 2.81Å; Q203-S412 PolarHBondContact NE2-OG 3.25Å; S412-V414 VanDerWaalsContact C-N 3.29Å; S412-V414 PolarHBondContact O-N 3.48Å; S412-G415 PolarHBondContact O-N 3.4Å; S412-G415 PolarHBondContact OG-N 3.43Å
413	R	95.1	Very high	93.6	Very high	134 Å²	134	37 Å²	37	51%	0.506	21%	0.214	S	C	.	.	S	Bend	trans	-72.8	-22.1	-179.3	-68.4	167.9	-103	-177.1	-14.8	112.8	I383 T386 D387 G415	I383-R413 PolarHBondContact O-NH2 3.3Å; T386-R413 PolarHBondContact O-NH1 3.28Å; T386-R413 PolarHBondContact O-NH2 3.4Å; D387-R413 WeakPolarHBondContact O-CB 3.4Å; D387-R413 WeakPolarHBondContact O-CD 3.03Å; D387-R413 WeakPolarHBondContact O-CG 3.5Å; D387-R413 PolarHBondContact O-N 2.95Å; D387-R413 PolarHBondContact O-NE 3.16Å; R413-G415 VanDerWaalsContact C-N 3.33Å
414	V	93.8	Very high	93.5	Very high	37 Å²	37	40.8 Å²	40.8	22%	0.224	23%	0.228	C	C	.	.	S	Bend	trans	-70.3	-36	170.7	-179.4	0	0	0	0	110.3	V182 Q203 S412 A417 A418	V182-V414 HydrophobicContact CB-CG1 4.24Å; V182-V414 HydrophobicContact CG1-CG1 4.2Å; Q203-V414 HydrophobicContact CB-CG2 4.48Å; Q203-V414 VanDerWaalsContact CD-CG2 3.47Å; Q203-V414 HydrophobicContact CG-CG2 3.92Å; S412-V414 VanDerWaalsContact C-N 3.29Å; S412-V414 PolarHBondContact O-N 3.48Å; V414-A417 HydrophobicContact CG1-CB 4.12Å; V414-A418 HydrophobicContact CG1-CB 3.8Å
415	G	91.8	Very high	93.4	Very high	21 Å²	21	46 Å²	46	22%	0.216	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	59.9	-142.9	174.2	0	0	0	0	0	113.1	P198 S412 R413 A417 A418	P198-G415 WeakPolarHBondContact CG-O 3.17Å; S412-G415 PolarHBondContact O-N 3.4Å; S412-G415 PolarHBondContact OG-N 3.43Å; R413-G415 VanDerWaalsContact C-N 3.33Å; G415-A417 PolarHBondContact O-N 2.97Å; G415-A418 PolarHBondContact O-N 2.85Å
416	S	91.3	Very high	93.3	Very high	51 Å²	51	45.9 Å²	45.9	36%	0.357	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-63.7	-9.1	-173.6	72.1	0	0	0	0	115.3	A418 Q419 K424	S416-A418 PolarHBondContact O-N 3.26Å; S416-Q419 PolarHBondContact O-N 3.11Å; S416-K424 WeakPolarHBondContact OG-CE 3.42Å; S416-K424 PolarHBondContact OG-NZ 3.46Å
417	A	93.4	Very high	93.2	Very high	49 Å²	49	45.4 Å²	45.4	41%	0.405	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-66.8	-22.8	172	0	0	0	0	0	112.3	R183 V414 G415	R183-A417 CarbonylContact C-O 3.48Å; R183-A417 WeakPolarHBondContact CA-O 3.37Å; V414-A417 HydrophobicContact CG1-CB 4.12Å; G415-A417 PolarHBondContact O-N 2.97Å
418	A	94	Very high	93.1	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.025	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-94.7	17.3	175.4	0	0	0	0	0	113.3	P185 P198 V414 G415 S416	P185-A418 WeakPolarHBondContact CA-O 3.49Å; P185-A418 VanDerWaalsContact CB-O 3.28Å; P185-A418 WeakPolarHBondContact CB-O 3.32Å; P198-A418 HydrophobicContact CB-CB 4.34Å; V414-A418 HydrophobicContact CG1-CB 3.8Å; G415-A418 PolarHBondContact O-N 2.85Å; S416-A418 PolarHBondContact O-N 3.26Å
419	Q	93.4	Very high	93	Very high	30 Å²	30	48.5 Å²	48.5	14%	0.14	27%	0.269	C	S	.	.	S	Bend	trans	-113.4	151.9	177.9	-72.9	179.8	-40.1	0	0	112	D194 S195 P198 S416 M423 K424	D194-Q419 PolarHBondContact O-NE2 3.32Å; S195-Q419 PolarHBondContact O-NE2 2.92Å; P198-Q419 HydrophobicContact CB-CG 3.37Å; P198-Q419 HydrophobicContact CG-CG 3.64Å; S416-Q419 PolarHBondContact O-N 3.11Å; Q419-M423 HydrophobicContact CG-CG 4.45Å; Q419-K424 HydrophobicContact CB-CB 4.48Å
420	T	93.5	Very high	93	Very high	31 Å²	31	44.4 Å²	44.4	19%	0.19	25%	0.248	C	C	.	.			trans	-65.3	153	163.7	62.5	0	0	0	0	109.5	P185 A422 M423 K424 I478	P185-T420 HydrophobicContact CG-CG2 4.12Å; T420-A422 PolarHBondContact O-N 3.18Å; T420-M423 PolarHBondContact O-N 3.35Å; T420-M423 WeakPolarHBondContact OG1-CB 3.4Å; T420-M423 PolarHBondContact OG1-N 3.11Å; T420-K424 PolarHBondContact O-N 2.83Å; T420-I478 HydrophobicContact CG2-CG1 4.3Å
421	K	93.6	Very high	92.7	Very high	155 Å²	155	47.3 Å²	47.3	67%	0.674	26%	0.261	S	S	*	.	H	α-helix	trans	-60.9	-38.2	179.1	-66.6	179.4	178.8	176.4	0	111.1	K424 Q425 G527 K528	K421-K424 PolarHBondContact O-N 3.34Å; K421-Q425 WeakPolarHBondContact O-CG 3.49Å; K421-Q425 PolarHBondContact O-N 3.2Å; K421-G527 CarbonylContact C-O 3.29Å; K421-G527 WeakPolarHBondContact CB-O 3.31Å; K421-G527 PolarHBondContact N-O 2.81Å; K421-K528 HydrophobicContact CB-CB 4.11Å
422	A	94.3	Very high	92.4	Very high	2 Å²	2	50.4 Å²	50.4	2%	0.017	28%	0.275	C	S	.	.	H	α-helix	trans	-58.4	-49.7	175	0	0	0	0	0	112.3	T420 K424 Q425 V426 V482 I523 G527 I529	T420-A422 PolarHBondContact O-N 3.18Å; A422-K424 VanDerWaalsContact C-N 3.34Å; A422-K424 PolarHBondContact O-N 3.23Å; A422-Q425 PolarHBondContact O-N 2.66Å; A422-V426 PolarHBondContact O-N 3Å; A422-V482 HydrophobicContact CB-CG1 4.35Å; A422-V482 HydrophobicContact CB-CG2 4.15Å; A422-I523 HydrophobicContact CB-CG2 4.28Å; A422-G527 PolarHBondContact N-O 3.23Å; A422-I529 HydrophobicContact CB-CG1 4.05Å
423	M	95.4	Very high	92.1	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-63.4	-41.3	177.3	-176	57.6	74.2	0	0	111.4	Q419 T420 Q425 V426 A427 I478 Q481 V482 I485	Q419-M423 HydrophobicContact CG-CG 4.45Å; T420-M423 PolarHBondContact O-N 3.35Å; T420-M423 WeakPolarHBondContact OG1-CB 3.4Å; T420-M423 PolarHBondContact OG1-N 3.11Å; M423-Q425 VanDerWaalsContact C-N 3.31Å; M423-Q425 PolarHBondContact O-N 2.67Å; M423-V426 WeakPolarHBondContact O-CG2 3.47Å; M423-V426 PolarHBondContact O-N 3.44Å; M423-V426 HydrophobicContact SD-CG2 4.04Å; M423-A427 HydrophobicContact CG-CB 4.34Å; M423-A427 VanDerWaalsContact O-CB 3.31Å; M423-A427 WeakPolarHBondContact O-CB 3.39Å; M423-A427 PolarHBondContact O-N 2.89Å; M423-A427 HydrophobicContact SD-CB 3.87Å; M423-I478 HydrophobicContact CB-CD1 4.34Å; M423-I478 HydrophobicContact CE-CD1 3.49Å; M423-I478 VanDerWaalsContact CE-CD1 3.49Å; M423-Q481 HydrophobicContact CE-CB 3.87Å; M423-V482 HydrophobicContact CB-CG2 4.27Å; M423-V482 HydrophobicContact CE-CG2 3.86Å; M423-V482 HydrophobicContact SD-CG2 4.44Å; M423-I485 HydrophobicContact CE-CD1 3.88Å; M423-I485 HydrophobicContact SD-CD1 3.84Å
424	K	93.8	Very high	92	Very high	106 Å²	106	45 Å²	45	46%	0.461	25%	0.254	S	S	.	.	H	α-helix	trans	-60.8	-38.7	177.4	-175.6	174.7	179.2	161.3	0	112.6	S416 Q419 T420 K421 A422 V426 G428	S416-K424 WeakPolarHBondContact OG-CE 3.42Å; S416-K424 PolarHBondContact OG-NZ 3.46Å; Q419-K424 HydrophobicContact CB-CB 4.48Å; T420-K424 PolarHBondContact O-N 2.83Å; K421-K424 PolarHBondContact O-N 3.34Å; A422-K424 VanDerWaalsContact C-N 3.34Å; A422-K424 PolarHBondContact O-N 3.23Å; K424-V426 VanDerWaalsContact C-N 3.33Å; K424-G428 PolarHBondContact O-N 3.24Å
425	Q	92.6	Very high	91.8	Very high	109 Å²	109	44.7 Å²	44.7	51%	0.509	26%	0.255	S	S	.	.	H	α-helix	trans	-64.5	-36	177.8	-75.6	170.6	-49.4	0	0	112.4	K421 A422 M423 I529	K421-Q425 WeakPolarHBondContact O-CG 3.49Å; K421-Q425 PolarHBondContact O-N 3.2Å; A422-Q425 PolarHBondContact O-N 2.66Å; M423-Q425 VanDerWaalsContact C-N 3.31Å; M423-Q425 PolarHBondContact O-N 2.67Å; Q425-I529 PolarHBondContact NE2-O 3.2Å
426	V	92.7	Very high	91.7	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-94	-34.7	-176.4	-58.6	0	0	0	0	113.8	A422 M423 K424 V482 I485 Y486 V489 I529	A422-V426 PolarHBondContact O-N 3Å; M423-V426 WeakPolarHBondContact O-CG2 3.47Å; M423-V426 PolarHBondContact O-N 3.44Å; M423-V426 HydrophobicContact SD-CG2 4.04Å; K424-V426 VanDerWaalsContact C-N 3.33Å; V426-V482 HydrophobicContact CG1-CG1 4.19Å; V426-V482 HydrophobicContact CG2-CG1 4.25Å; V426-V482 HydrophobicContact CG2-CG2 4.44Å; V426-I485 HydrophobicContact CB-CG2 4.25Å; V426-I485 HydrophobicContact CG2-CB 4.35Å; V426-I485 HydrophobicContact CG2-CG2 3.94Å; V426-Y486 HydrophobicContact CG1-CD2 3.97Å; V426-V489 WeakPolarHBondContact O-CG1 3.29Å; V426-I529 HydrophobicContact CG1-CD1 3.41Å; V426-I529 VanDerWaalsContact CG1-CD1 3.41Å
427	A	91.4	Very high	91.7	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.033	26%	0.259	C	S	.	.	H	α-helix	trans	-95.9	-5.9	-174.2	0	0	0	0	0	113.9	M423 T429 M430	M423-A427 HydrophobicContact CG-CB 4.34Å; M423-A427 VanDerWaalsContact O-CB 3.31Å; M423-A427 WeakPolarHBondContact O-CB 3.39Å; M423-A427 PolarHBondContact O-N 2.89Å; M423-A427 HydrophobicContact SD-CB 3.87Å; A427-T429 VanDerWaalsContact C-N 3.32Å; A427-T429 PolarHBondContact O-N 2.92Å; A427-M430 VanDerWaalsContact O-CB 3.32Å; A427-M430 WeakPolarHBondContact O-CB 3.39Å; A427-M430 PolarHBondContact O-N 3.28Å
428	G	88.1	Confident	91.5	Very high	52 Å²	52	49.2 Å²	49.2	54%	0.536	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-38.2	-170.9	0	0	0	0	0	115	K424	K424-G428 PolarHBondContact O-N 3.24Å
429	T	87.6	Confident	91.1	Very high	72 Å²	72	55.3 Å²	55.3	44%	0.442	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-16.8	177.5	62.3	0	0	0	0	113.2	A427 K431 L432 E433	A427-T429 VanDerWaalsContact C-N 3.32Å; A427-T429 PolarHBondContact O-N 2.92Å; T429-K431 PolarHBondContact O-N 2.89Å; T429-L432 PolarHBondContact O-N 3.47Å; T429-L432 VanDerWaalsContact O-N 3.14Å; T429-E433 VanDerWaalsContact CB-OE1 3.31Å; T429-E433 WeakPolarHBondContact CB-OE1 3.33Å; T429-E433 WeakPolarHBondContact O-CG 3.23Å; T429-E433 PolarHBondContact O-N 3.34Å; T429-E433 PolarHBondContact OG1-OE1 3.39Å
430	M	90.4	Very high	90.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.8	-40.9	-168.9	-169.9	-177.7	-173.7	0	0	113	L196 A427 E433 L434 L464 L468 I485 V489	L196-M430 HydrophobicContact CD2-CB 4.4Å; L196-M430 HydrophobicContact CD2-CG 4.07Å; L196-M430 HydrophobicContact CD2-SD 4.15Å; A427-M430 VanDerWaalsContact O-CB 3.32Å; A427-M430 WeakPolarHBondContact O-CB 3.39Å; A427-M430 PolarHBondContact O-N 3.28Å; M430-E433 PolarHBondContact O-N 3.41Å; M430-L434 HydrophobicContact CE-CD1 4.2Å; M430-L434 HydrophobicContact CG-CD1 4.11Å; M430-L434 WeakPolarHBondContact O-CB 3.21Å; M430-L434 WeakPolarHBondContact O-CG 3.41Å; M430-L434 PolarHBondContact O-N 3.25Å; M430-L464 HydrophobicContact CE-CB 4.39Å; M430-L464 HydrophobicContact CE-CD2 4.28Å; M430-L468 HydrophobicContact CE-CD1 3.73Å; M430-L468 HydrophobicContact CE-CD2 3.54Å; M430-L468 HydrophobicContact CE-CG 3.57Å; M430-I485 HydrophobicContact SD-CG2 3.97Å; M430-V489 HydrophobicContact CB-CG2 4.15Å; M430-V489 HydrophobicContact CG-CG2 4.13Å; M430-V489 HydrophobicContact SD-CG2 4.23Å
431	K	89.5	Confident	90.6	Very high	61 Å²	61	55.2 Å²	55.2	27%	0.265	28%	0.284	S	S	.	.	H	α-helix	trans	-64.6	-41.2	179	-174.6	172.7	-174	165.9	0	112.1	L196 V407 S410 T429 A435	L196-K431 HydrophobicContact CD2-CB 4.14Å; V407-K431 HydrophobicContact CG1-CG 4.02Å; S410-K431 PolarHBondContact O-NZ 3.11Å; T429-K431 PolarHBondContact O-N 2.89Å; K431-A435 WeakPolarHBondContact O-CB 3.23Å; K431-A435 PolarHBondContact O-N 2.83Å
432	L	89.2	Confident	90.2	Very high	118 Å²	118	50.3 Å²	50.3	62%	0.618	27%	0.272	S	S	*	.	H	α-helix	trans	-68.3	-44.5	178.9	-67.5	173.8	0	0	0	110.9	T429 L434 A435 Q436	T429-L432 PolarHBondContact O-N 3.47Å; T429-L432 VanDerWaalsContact O-N 3.14Å; L432-L434 VanDerWaalsContact C-N 3.35Å; L432-L434 PolarHBondContact O-N 3.37Å; L432-A435 PolarHBondContact O-N 3.12Å; L432-Q436 WeakPolarHBondContact O-CG 3.33Å; L432-Q436 PolarHBondContact O-N 2.86Å
433	E	90.3	Very high	89.7	Confident	32 Å²	32	57.6 Å²	57.6	15%	0.15	30%	0.304	C	S	.	.	H	α-helix	trans	-60	-43.5	176.7	-70	172.9	-152.1	0	0	111.9	T429 M430 Y437 R460	T429-E433 VanDerWaalsContact CB-OE1 3.31Å; T429-E433 WeakPolarHBondContact CB-OE1 3.33Å; T429-E433 WeakPolarHBondContact O-CG 3.23Å; T429-E433 PolarHBondContact O-N 3.34Å; T429-E433 PolarHBondContact OG1-OE1 3.39Å; M430-E433 PolarHBondContact O-N 3.41Å; E433-Y437 VanDerWaalsContact O-CB 3.29Å; E433-Y437 WeakPolarHBondContact O-CB 3.44Å; E433-Y437 PolarHBondContact O-N 3.35Å; E433-R460 VanDerWaalsContact CD-NH2 3.27Å; E433-R460 IonicContact OE1-CZ 2.8Å; E433-R460 IonicContact OE1-NH2 3.97Å; E433-R460 PolarHBondContact OE1-NH2 3.2Å; E433-R460 IonicContact OE2-CZ 3.74Å; E433-R460 IonicContact OE2-NE 3.02Å; E433-R460 PolarHBondContact OE2-NE 3.04Å; E433-R460 IonicContact OE2-NH2 3.85Å; E433-R460 PolarHBondContact OE2-NH2 3.05Å
434	L	92.3	Very high	89.2	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-70.6	-31.8	177.4	-75.2	174.1	0	0	0	113.3	L196 V407 M430 L432 Y437 R438 L464 L468	L196-L434 HydrophobicContact CD1-CD1 4.13Å; L196-L434 HydrophobicContact CD2-CD1 4.06Å; V407-L434 HydrophobicContact CG1-CB 4Å; V407-L434 HydrophobicContact CG2-CB 4.47Å; V407-L434 HydrophobicContact CG2-CD1 4.34Å; M430-L434 HydrophobicContact CE-CD1 4.2Å; M430-L434 HydrophobicContact CG-CD1 4.11Å; M430-L434 WeakPolarHBondContact O-CB 3.21Å; M430-L434 WeakPolarHBondContact O-CG 3.41Å; M430-L434 PolarHBondContact O-N 3.25Å; L432-L434 VanDerWaalsContact C-N 3.35Å; L432-L434 PolarHBondContact O-N 3.37Å; L434-Y437 HydrophobicContact CD2-CD1 4.48Å; L434-R438 PolarHBondContact O-N 3.32Å; L434-R438 VanDerWaalsContact O-N 3.14Å; L434-L464 HydrophobicContact CD2-CB 3.82Å; L434-L464 HydrophobicContact CD2-CD1 4.49Å; L434-L464 HydrophobicContact CG-CB 4.46Å; L434-L468 HydrophobicContact CD1-CD1 3.64Å
435	A	89.8	Confident	88.6	Confident	30 Å²	30	60.8 Å²	60.8	25%	0.248	33%	0.325	C	S	.	.	H	α-helix	trans	-67.2	-49.4	173.6	0	0	0	0	0	110.9	K431 L432 Y437 R438 E439	K431-A435 WeakPolarHBondContact O-CB 3.23Å; K431-A435 PolarHBondContact O-N 2.83Å; L432-A435 PolarHBondContact O-N 3.12Å; A435-Y437 VanDerWaalsContact C-N 3.31Å; A435-Y437 PolarHBondContact O-N 2.92Å; A435-R438 PolarHBondContact O-N 2.96Å; A435-R438 VanDerWaalsContact O-N 3.1Å; A435-E439 PolarHBondContact O-N 2.94Å; A435-E439 VanDerWaalsContact O-N 3.13Å
436	Q	90.1	Very high	88.1	Confident	102 Å²	102	64 Å²	64	48%	0.477	34%	0.337	S	S	.	.	H	α-helix	trans	-59.4	-42.5	175	-71.4	175.5	-8	0	0	111.6	L432 R438 E439 V440 L457	L432-Q436 WeakPolarHBondContact O-CG 3.33Å; L432-Q436 PolarHBondContact O-N 2.86Å; Q436-R438 VanDerWaalsContact C-N 3.3Å; Q436-R438 PolarHBondContact O-N 2.79Å; Q436-E439 PolarHBondContact O-N 3.45Å; Q436-V440 WeakPolarHBondContact O-CB 3.28Å; Q436-V440 WeakPolarHBondContact O-CG2 3.47Å; Q436-V440 PolarHBondContact O-N 2.73Å; Q436-L457 HydrophobicContact CB-CD1 4.26Å; Q436-L457 HydrophobicContact CB-CD2 4.15Å
437	Y	91.6	Very high	87.2	Confident	43 Å²	43	65.5 Å²	65.5	17%	0.169	35%	0.354	C	S	.	.	H	α-helix	trans	-54.4	-45.7	173.8	163.9	-112.7	0	0	0	111.9	E433 L434 A435 V440 A441 L458 V462	E433-Y437 VanDerWaalsContact O-CB 3.29Å; E433-Y437 WeakPolarHBondContact O-CB 3.44Å; E433-Y437 PolarHBondContact O-N 3.35Å; L434-Y437 HydrophobicContact CD2-CD1 4.48Å; A435-Y437 VanDerWaalsContact C-N 3.31Å; A435-Y437 PolarHBondContact O-N 2.92Å; Y437-V440 PolarHBondContact O-N 3.47Å; Y437-A441 HydrophobicContact CD2-CB 4.41Å; Y437-A441 HydrophobicContact CE2-CB 4.06Å; Y437-A441 WeakPolarHBondContact O-CB 3.49Å; Y437-A441 PolarHBondContact O-N 3.04Å; Y437-L458 HydrophobicContact CD2-CD2 3.94Å; Y437-L458 HydrophobicContact CE2-CD2 3.91Å; Y437-V462 HydrophobicContact CE2-CG2 3.94Å; Y437-V462 WeakPolarHBondContact OH-CG2 3.35Å
438	R	87.5	Confident	86.4	Confident	71 Å²	71	70.9 Å²	70.9	27%	0.268	39%	0.391	S	S	.	.	H	α-helix	trans	-65.6	-43.4	-179.9	-80.5	-164.1	179.6	-150.9	-1.1	112.8	E393 I405 N406 L434 A435 Q436 A441 A442	E393-R438 IonicContact OE2-NH1 3.31Å; E393-R438 PolarHBondContact OE2-NH1 3.47Å; I405-R438 PolarHBondContact O-NH2 3.46Å; N406-R438 PolarHBondContact ND2-NH1 2.77Å; N406-R438 VanDerWaalsContact ND2-NH1 3.11Å; N406-R438 PolarHBondContact OD1-NH1 3.4Å; L434-R438 PolarHBondContact O-N 3.32Å; L434-R438 VanDerWaalsContact O-N 3.14Å; A435-R438 PolarHBondContact O-N 2.96Å; A435-R438 VanDerWaalsContact O-N 3.1Å; Q436-R438 VanDerWaalsContact C-N 3.3Å; Q436-R438 PolarHBondContact O-N 2.79Å; R438-A441 PolarHBondContact O-N 2.95Å; R438-A442 PolarHBondContact O-N 3.32Å
439	E	86.1	Confident	86.1	Confident	130 Å²	130	75.6 Å²	75.6	61%	0.607	40%	0.404	S	S	*	.	H	α-helix	trans	-59	-51.8	177.1	-69.7	179.1	173.6	0	0	109.9	A435 Q436 A441 A442 F443	A435-E439 PolarHBondContact O-N 2.94Å; A435-E439 VanDerWaalsContact O-N 3.13Å; Q436-E439 PolarHBondContact O-N 3.45Å; E439-A441 PolarHBondContact O-N 2.85Å; E439-A442 WeakPolarHBondContact O-CB 3.48Å; E439-A442 PolarHBondContact O-N 2.95Å; E439-F443 WeakPolarHBondContact O-CD2 3.5Å; E439-F443 PolarHBondContact O-N 2.91Å
440	V	89.2	Confident	86	Confident	36 Å²	36	74.8 Å²	74.8	22%	0.218	40%	0.397	C	S	.	.	H	α-helix	trans	-67.4	-37.1	-178.7	174.8	0	0	0	0	112.4	Q436 Y437 A442 F443 A444 T454 L457 L458	Q436-V440 WeakPolarHBondContact O-CB 3.28Å; Q436-V440 WeakPolarHBondContact O-CG2 3.47Å; Q436-V440 PolarHBondContact O-N 2.73Å; Y437-V440 PolarHBondContact O-N 3.47Å; V440-A442 PolarHBondContact O-N 3.38Å; V440-F443 PolarHBondContact O-N 2.83Å; V440-F443 VanDerWaalsContact O-N 3.1Å; V440-A444 WeakPolarHBondContact O-CB 3.31Å; V440-A444 PolarHBondContact O-N 3.36Å; V440-T454 HydrophobicContact CG1-CG2 3.56Å; V440-L457 HydrophobicContact CB-CD2 4.06Å; V440-L457 HydrophobicContact CG1-CD2 4.34Å; V440-L457 HydrophobicContact CG2-CD2 3.68Å; V440-L458 HydrophobicContact CB-CD2 4.48Å; V440-L458 HydrophobicContact CG1-CD1 4.41Å; V440-L458 HydrophobicContact CG1-CD2 3.94Å; V440-L458 HydrophobicContact CG1-CG 4.05Å
441	A	87.4	Confident	86	Confident	23 Å²	23	79.2 Å²	79.2	19%	0.19	42%	0.42	C	S	.	.	H	α-helix	trans	-63.4	-30	177.8	0	0	0	0	0	112.7	Y437 R438 E439 L458	Y437-A441 HydrophobicContact CD2-CB 4.41Å; Y437-A441 HydrophobicContact CE2-CB 4.06Å; Y437-A441 WeakPolarHBondContact O-CB 3.49Å; Y437-A441 PolarHBondContact O-N 3.04Å; R438-A441 PolarHBondContact O-N 2.95Å; E439-A441 PolarHBondContact O-N 2.85Å; A441-L458 HydrophobicContact CB-CD2 3.93Å
442	A	84.8	Confident	86	Confident	53 Å²	53	80 Å²	80	44%	0.438	44%	0.439	S	S	.	.	H	α-helix	trans	-69.1	-40	172.9	0	0	0	0	0	111.7	R438 E439 V440 F446	R438-A442 PolarHBondContact O-N 3.32Å; E439-A442 WeakPolarHBondContact O-CB 3.48Å; E439-A442 PolarHBondContact O-N 2.95Å; V440-A442 PolarHBondContact O-N 3.38Å; A442-F446 WeakPolarHBondContact O-CD2 3.46Å; A442-F446 WeakPolarHBondContact O-CE2 3.03Å
443	F	83.3	Confident	86	Confident	154 Å²	154	77.5 Å²	77.5	68%	0.675	44%	0.435	S	S	*	.	H	α-helix	trans	-73.8	-37.2	177.8	-67.6	-70.7	0	0	0	113.2	E439 V440 Q445 F446	E439-F443 WeakPolarHBondContact O-CD2 3.5Å; E439-F443 PolarHBondContact O-N 2.91Å; V440-F443 PolarHBondContact O-N 2.83Å; V440-F443 VanDerWaalsContact O-N 3.1Å; F443-Q445 PolarHBondContact O-N 2.93Å; F443-Q445 VanDerWaalsContact O-N 3.11Å; F443-F446 PolarHBondContact O-N 3.18Å
444	A	85.9	Confident	85.9	Confident	24 Å²	24	77.5 Å²	77.5	20%	0.198	44%	0.437	C	S	.	.	H	α-helix	trans	-63.2	-17.1	-178.4	0	0	0	0	0	113.5	V440 F446 L450 L458	V440-A444 WeakPolarHBondContact O-CB 3.31Å; V440-A444 PolarHBondContact O-N 3.36Å; A444-F446 PolarHBondContact O-N 3.4Å; A444-L450 HydrophobicContact CB-CD1 4.01Å; A444-L450 HydrophobicContact CB-CD2 4.18Å; A444-L458 HydrophobicContact CB-CD1 3.72Å; A444-L458 HydrophobicContact CB-CD2 4.41Å
445	Q	82.1	Confident	85.7	Confident	152 Å²	152	82 Å²	82	71%	0.71	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.4	172.8	-69	178.1	10.2	0	0	113.2	F443	F443-Q445 PolarHBondContact O-N 2.93Å; F443-Q445 VanDerWaalsContact O-N 3.11Å
446	F	80.6	Confident	85.7	Confident	177 Å²	177	86.2 Å²	86.2	78%	0.776	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	-7.9	-174.9	-57.1	-77.5	0	0	0	113.8	A442 F443 A444	A442-F446 WeakPolarHBondContact O-CD2 3.46Å; A442-F446 WeakPolarHBondContact O-CE2 3.03Å; F443-F446 PolarHBondContact O-N 3.18Å; A444-F446 PolarHBondContact O-N 3.4Å
447	G	74.8	Confident	85.7	Confident	38 Å²	38	83.3 Å²	83.3	39%	0.392	46%	0.46	S	S	.	.			trans	-102.8	135.5	-178.1	0	0	0	0	0	112.4
448	S	74.4	Confident	85.7	Confident	117 Å²	117	82.5 Å²	82.5	82%	0.818	46%	0.458	S	S	*	.	S	Bend	trans	-84.1	-34.9	175.7	54.4	0	0	0	0	113.2
449	D	81.5	Confident	85.9	Confident	150 Å²	150	83 Å²	83	80%	0.802	47%	0.466	S	S	*	.			trans	-119.9	120.4	179.3	-74.5	-42.7	0	0	0	110.3
450	L	85.9	Confident	86.1	Confident	56 Å²	56	79.1 Å²	79.1	29%	0.293	45%	0.446	S	S	.	.			trans	-109.6	133.9	175.9	-59.1	171.2	0	0	0	108.4	A444 T454 Q455 L458	A444-L450 HydrophobicContact CB-CD1 4.01Å; A444-L450 HydrophobicContact CB-CD2 4.18Å; L450-T454 HydrophobicContact CB-CG2 4.11Å; L450-T454 HydrophobicContact CD2-CG2 3.92Å; L450-T454 HydrophobicContact CG-CG2 4.4Å; L450-Q455 HydrophobicContact CB-CG 3.84Å; L450-Q455 PolarHBondContact O-NE2 3.01Å; L450-L458 HydrophobicContact CD1-CD1 3.59Å
451	D	89.6	Confident	86.3	Confident	92 Å²	92	77.5 Å²	77.5	49%	0.492	44%	0.437	S	S	.	.			trans	-65.1	160.4	174.1	69.1	-76.7	0	0	0	111.5	A453 T454 Q455	D451-A453 VanDerWaalsContact C-N 3.27Å; D451-A453 PolarHBondContact O-N 2.63Å; D451-A453 WeakPolarHBondContact OD2-CB 3.32Å; D451-A453 PolarHBondContact OD2-N 2.84Å; D451-A453 VanDerWaalsContact OD2-N 3.13Å; D451-T454 PolarHBondContact O-N 2.77Å; D451-T454 WeakPolarHBondContact OD1-CB 3.25Å; D451-T454 PolarHBondContact OD1-OG1 2.81Å; D451-T454 PolarHBondContact OD2-N 2.8Å; D451-T454 VanDerWaalsContact OD2-N 3.12Å; D451-T454 PolarHBondContact OD2-OG1 3.12Å; D451-Q455 WeakPolarHBondContact O-CG 3.49Å; D451-Q455 PolarHBondContact O-N 3.37Å
452	A	89.2	Confident	86.6	Confident	79 Å²	79	78.6 Å²	78.6	65%	0.653	44%	0.441	S	S	*	.	H	α-helix	trans	-59.8	-33.9	-173.6	0	0	0	0	0	113.6	Q456	A452-Q456 WeakPolarHBondContact O-CB 3.46Å; A452-Q456 PolarHBondContact O-N 2.9Å
453	A	89.6	Confident	87.1	Confident	65 Å²	65	77.3 Å²	77.3	54%	0.537	43%	0.425	S	S	.	.	H	α-helix	trans	-71.2	-42.9	179.4	0	0	0	0	0	110.8	D451 Q456 L457	D451-A453 VanDerWaalsContact C-N 3.27Å; D451-A453 PolarHBondContact O-N 2.63Å; D451-A453 WeakPolarHBondContact OD2-CB 3.32Å; D451-A453 PolarHBondContact OD2-N 2.84Å; D451-A453 VanDerWaalsContact OD2-N 3.13Å; A453-Q456 PolarHBondContact O-N 2.96Å; A453-L457 PolarHBondContact O-N 3.34Å
454	T	88.9	Confident	87.6	Confident	32 Å²	32	70.1 Å²	70.1	20%	0.196	39%	0.393	C	S	.	.	H	α-helix	trans	-60.5	-43.6	173.2	-65.4	0	0	0	0	111.9	V440 L450 D451 Q456 L457 L458	V440-T454 HydrophobicContact CG1-CG2 3.56Å; L450-T454 HydrophobicContact CB-CG2 4.11Å; L450-T454 HydrophobicContact CD2-CG2 3.92Å; L450-T454 HydrophobicContact CG-CG2 4.4Å; D451-T454 PolarHBondContact O-N 2.77Å; D451-T454 WeakPolarHBondContact OD1-CB 3.25Å; D451-T454 PolarHBondContact OD1-OG1 2.81Å; D451-T454 PolarHBondContact OD2-N 2.8Å; D451-T454 VanDerWaalsContact OD2-N 3.12Å; D451-T454 PolarHBondContact OD2-OG1 3.12Å; T454-Q456 PolarHBondContact O-N 2.82Å; T454-L457 PolarHBondContact O-N 3.26Å; T454-L458 HydrophobicContact CG2-CD1 4.19Å; T454-L458 WeakPolarHBondContact O-CG 3.49Å; T454-L458 PolarHBondContact O-N 3.44Å
455	Q	88.2	Confident	88	Confident	97 Å²	97	70.1 Å²	70.1	45%	0.453	39%	0.391	S	S	.	.	H	α-helix	trans	-61.4	-43.2	175.1	-69.1	-177.2	15.5	0	0	112	L450 D451 L458 N459	L450-Q455 HydrophobicContact CB-CG 3.84Å; L450-Q455 PolarHBondContact O-NE2 3.01Å; D451-Q455 WeakPolarHBondContact O-CG 3.49Å; D451-Q455 PolarHBondContact O-N 3.37Å; Q455-L458 PolarHBondContact O-N 2.89Å; Q455-N459 WeakPolarHBondContact O-CB 3.43Å; Q455-N459 VanDerWaalsContact O-CG 3.29Å; Q455-N459 PolarHBondContact O-N 3.32Å; Q455-N459 PolarHBondContact O-ND2 3.07Å; Q455-N459 VanDerWaalsContact O-ND2 3.08Å
456	Q	89.4	Confident	88.6	Confident	119 Å²	119	64.7 Å²	64.7	56%	0.556	37%	0.366	S	S	*	.	H	α-helix	trans	-63.7	-42.7	177.9	-172.6	177.1	-0.7	0	0	111.7	A452 A453 T454 N459 R460	A452-Q456 WeakPolarHBondContact O-CB 3.46Å; A452-Q456 PolarHBondContact O-N 2.9Å; A453-Q456 PolarHBondContact O-N 2.96Å; T454-Q456 PolarHBondContact O-N 2.82Å; Q456-N459 PolarHBondContact O-N 3.47Å; Q456-R460 VanDerWaalsContact O-CB 3.31Å; Q456-R460 WeakPolarHBondContact O-CB 3.4Å; Q456-R460 PolarHBondContact O-N 3.29Å
457	L	90.7	Very high	89.3	Confident	41 Å²	41	56.4 Å²	56.4	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-60.8	-47	176.2	-178.5	72.7	0	0	0	111.6	Q436 V440 A453 T454 R460 G461	Q436-L457 HydrophobicContact CB-CD1 4.26Å; Q436-L457 HydrophobicContact CB-CD2 4.15Å; V440-L457 HydrophobicContact CB-CD2 4.06Å; V440-L457 HydrophobicContact CG1-CD2 4.34Å; V440-L457 HydrophobicContact CG2-CD2 3.68Å; A453-L457 PolarHBondContact O-N 3.34Å; T454-L457 PolarHBondContact O-N 3.26Å; L457-R460 PolarHBondContact O-N 3.06Å; L457-G461 PolarHBondContact O-N 3.31Å
458	L	91.5	Very high	90.2	Very high	26 Å²	26	55.3 Å²	55.3	14%	0.136	31%	0.314	C	S	.	.	H	α-helix	trans	-61.8	-47	177.1	-72.1	172.4	0	0	0	111.7	Y437 V440 A441 A444 L450 T454 Q455 R460 G461 V462	Y437-L458 HydrophobicContact CD2-CD2 3.94Å; Y437-L458 HydrophobicContact CE2-CD2 3.91Å; V440-L458 HydrophobicContact CB-CD2 4.48Å; V440-L458 HydrophobicContact CG1-CD1 4.41Å; V440-L458 HydrophobicContact CG1-CD2 3.94Å; V440-L458 HydrophobicContact CG1-CG 4.05Å; A441-L458 HydrophobicContact CB-CD2 3.93Å; A444-L458 HydrophobicContact CB-CD1 3.72Å; A444-L458 HydrophobicContact CB-CD2 4.41Å; L450-L458 HydrophobicContact CD1-CD1 3.59Å; T454-L458 HydrophobicContact CG2-CD1 4.19Å; T454-L458 WeakPolarHBondContact O-CG 3.49Å; T454-L458 PolarHBondContact O-N 3.44Å; Q455-L458 PolarHBondContact O-N 2.89Å; L458-R460 VanDerWaalsContact C-N 3.34Å; L458-R460 PolarHBondContact O-N 3.26Å; L458-G461 PolarHBondContact O-N 2.92Å; L458-V462 WeakPolarHBondContact O-CG2 3.38Å; L458-V462 PolarHBondContact O-N 2.91Å
459	N	90.6	Very high	91.3	Very high	81 Å²	81	51.7 Å²	51.7	43%	0.433	28%	0.284	S	S	.	.	H	α-helix	trans	-58.3	-46.5	178.2	-85.8	-39.4	0	0	0	111.8	Q455 Q456 R463	Q455-N459 WeakPolarHBondContact O-CB 3.43Å; Q455-N459 VanDerWaalsContact O-CG 3.29Å; Q455-N459 PolarHBondContact O-N 3.32Å; Q455-N459 PolarHBondContact O-ND2 3.07Å; Q455-N459 VanDerWaalsContact O-ND2 3.08Å; Q456-N459 PolarHBondContact O-N 3.47Å; N459-R463 VanDerWaalsContact C-NH1 3.27Å; N459-R463 VanDerWaalsContact CA-NH1 3.35Å; N459-R463 VanDerWaalsContact CB-NH1 3.26Å; N459-R463 WeakPolarHBondContact O-CD 3.46Å; N459-R463 VanDerWaalsContact O-CG 3.23Å; N459-R463 WeakPolarHBondContact O-CG 3.42Å; N459-R463 PolarHBondContact O-N 3.19Å; N459-R463 PolarHBondContact O-NH1 3.3Å; N459-R463 PolarHBondContact OD1-NH1 3.24Å
460	R	91.5	Very high	91.9	Very high	49 Å²	49	45.6 Å²	45.6	19%	0.185	25%	0.251	C	S	.	.	H	α-helix	trans	-67.5	-44	178.6	-176.5	169	166.8	136.2	-6.1	111.7	E433 Q456 L457 L458 V462 R463 L464 V489	E433-R460 VanDerWaalsContact CD-NH2 3.27Å; E433-R460 IonicContact OE1-CZ 2.8Å; E433-R460 IonicContact OE1-NH2 3.97Å; E433-R460 PolarHBondContact OE1-NH2 3.2Å; E433-R460 IonicContact OE2-CZ 3.74Å; E433-R460 IonicContact OE2-NE 3.02Å; E433-R460 PolarHBondContact OE2-NE 3.04Å; E433-R460 IonicContact OE2-NH2 3.85Å; E433-R460 PolarHBondContact OE2-NH2 3.05Å; Q456-R460 VanDerWaalsContact O-CB 3.31Å; Q456-R460 WeakPolarHBondContact O-CB 3.4Å; Q456-R460 PolarHBondContact O-N 3.29Å; L457-R460 PolarHBondContact O-N 3.06Å; L458-R460 VanDerWaalsContact C-N 3.34Å; L458-R460 PolarHBondContact O-N 3.26Å; R460-V462 PolarHBondContact O-N 2.96Å; R460-R463 PolarHBondContact O-N 2.95Å; R460-R463 VanDerWaalsContact O-N 3.14Å; R460-L464 HydrophobicContact CG-CD1 4.07Å; R460-L464 HydrophobicContact CG-CG 4.35Å; R460-L464 WeakPolarHBondContact O-CG 3.33Å; R460-L464 PolarHBondContact O-N 3.37Å; R460-V489 PolarHBondContact NH1-O 2.78Å; R460-V489 PolarHBondContact NH2-O 3.45Å
461	G	92.9	Very high	92.3	Very high	2 Å²	2	45.1 Å²	45.1	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-40.4	180	0	0	0	0	0	114	L457 L458 R463 T465	L457-G461 PolarHBondContact O-N 3.31Å; L458-G461 PolarHBondContact O-N 2.92Å; G461-R463 VanDerWaalsContact C-N 3.33Å; G461-R463 PolarHBondContact O-N 3.04Å; G461-T465 WeakPolarHBondContact O-CB 3.41Å; G461-T465 PolarHBondContact O-N 3.27Å; G461-T465 PolarHBondContact O-OG1 3.2Å
462	V	93.3	Very high	92.4	Very high	46 Å²	46	45.2 Å²	45.2	28%	0.279	26%	0.257	S	S	.	.	H	α-helix	trans	-59.8	-45.3	173.4	171.5	0	0	0	0	110.7	Y437 L458 R460 T465 E466 P498	Y437-V462 HydrophobicContact CE2-CG2 3.94Å; Y437-V462 WeakPolarHBondContact OH-CG2 3.35Å; L458-V462 WeakPolarHBondContact O-CG2 3.38Å; L458-V462 PolarHBondContact O-N 2.91Å; R460-V462 PolarHBondContact O-N 2.96Å; V462-T465 WeakPolarHBondContact O-CB 3.35Å; V462-T465 PolarHBondContact O-N 3.42Å; V462-E466 WeakPolarHBondContact O-CG 3.5Å; V462-E466 PolarHBondContact O-N 3.45Å; V462-P498 HydrophobicContact CG1-CB 3.81Å; V462-P498 HydrophobicContact CG1-CG 3.73Å
463	R	94.7	Very high	92.6	Very high	26 Å²	26	45 Å²	45	10%	0.098	24%	0.24	C	C	.	.	H	α-helix	trans	-68.8	-42.2	-176.7	-64.6	171.3	167.9	78.4	-2.8	112.4	N459 R460 G461 T465 E466 L467 L493 D494 M496 P498 I501	N459-R463 VanDerWaalsContact C-NH1 3.27Å; N459-R463 VanDerWaalsContact CA-NH1 3.35Å; N459-R463 VanDerWaalsContact CB-NH1 3.26Å; N459-R463 WeakPolarHBondContact O-CD 3.46Å; N459-R463 VanDerWaalsContact O-CG 3.23Å; N459-R463 WeakPolarHBondContact O-CG 3.42Å; N459-R463 PolarHBondContact O-N 3.19Å; N459-R463 PolarHBondContact O-NH1 3.3Å; N459-R463 PolarHBondContact OD1-NH1 3.24Å; R460-R463 PolarHBondContact O-N 2.95Å; R460-R463 VanDerWaalsContact O-N 3.14Å; G461-R463 VanDerWaalsContact C-N 3.33Å; G461-R463 PolarHBondContact O-N 3.04Å; R463-T465 VanDerWaalsContact C-N 3.29Å; R463-T465 PolarHBondContact O-N 2.94Å; R463-E466 PolarHBondContact O-N 2.81Å; R463-L467 WeakPolarHBondContact O-CB 3.27Å; R463-L467 PolarHBondContact O-N 3.31Å; R463-L493 VanDerWaalsContact CD-O 3.24Å; R463-L493 WeakPolarHBondContact CD-O 3.15Å; R463-L493 PolarHBondContact NE-O 2.96Å; R463-D494 PolarHBondContact NE-O 3.39Å; R463-D494 PolarHBondContact NH2-O 3.15Å; R463-D494 VanDerWaalsContact NH2-O 3.14Å; R463-M496 PolarHBondContact NE-O 3.12Å; R463-M496 PolarHBondContact NH2-O 2.89Å; R463-P498 HydrophobicContact CG-CG 4.46Å; R463-I501 VanDerWaalsContact CA-CD1 3.45Å; R463-I501 HydrophobicContact CB-CD1 3.44Å; R463-I501 VanDerWaalsContact CB-CD1 3.44Å; R463-I501 HydrophobicContact CG-CD1 3.6Å
464	L	94.3	Very high	92.7	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-37.2	173	-67.1	177.6	0	0	0	111.4	M430 L434 R460 L467 L468 V489	M430-L464 HydrophobicContact CE-CB 4.39Å; M430-L464 HydrophobicContact CE-CD2 4.28Å; L434-L464 HydrophobicContact CD2-CB 3.82Å; L434-L464 HydrophobicContact CD2-CD1 4.49Å; L434-L464 HydrophobicContact CG-CB 4.46Å; R460-L464 HydrophobicContact CG-CD1 4.07Å; R460-L464 HydrophobicContact CG-CG 4.35Å; R460-L464 WeakPolarHBondContact O-CG 3.33Å; R460-L464 PolarHBondContact O-N 3.37Å; L464-L467 HydrophobicContact CD2-CD2 4.46Å; L464-L467 PolarHBondContact O-N 3Å; L464-L468 WeakPolarHBondContact O-CG 3.13Å; L464-L468 PolarHBondContact O-N 3.27Å; L464-L468 VanDerWaalsContact O-N 3.07Å; L464-V489 HydrophobicContact CD2-CG2 4.24Å
465	T	94.1	Very high	93	Very high	25 Å²	25	45.8 Å²	45.8	15%	0.153	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-43.4	175.9	-59.6	0	0	0	0	111.7	I401 G461 V462 R463 L468	I401-T465 HydrophobicContact CD1-CG2 3.68Å; I401-T465 HydrophobicContact CG1-CG2 4.06Å; I401-T465 HydrophobicContact CG2-CG2 4.44Å; G461-T465 WeakPolarHBondContact O-CB 3.41Å; G461-T465 PolarHBondContact O-N 3.27Å; G461-T465 PolarHBondContact O-OG1 3.2Å; V462-T465 WeakPolarHBondContact O-CB 3.35Å; V462-T465 PolarHBondContact O-N 3.42Å; R463-T465 VanDerWaalsContact C-N 3.29Å; R463-T465 PolarHBondContact O-N 2.94Å; T465-L468 PolarHBondContact O-N 2.93Å
466	E	94.8	Very high	93.3	Very high	38 Å²	38	41.9 Å²	41.9	18%	0.178	22%	0.223	C	C	.	.	H	α-helix	trans	-63.8	-40.9	174	-71.2	-58.4	136.7	0	0	112.2	V462 R463 L468 K469 P498 I501	V462-E466 WeakPolarHBondContact O-CG 3.5Å; V462-E466 PolarHBondContact O-N 3.45Å; R463-E466 PolarHBondContact O-N 2.81Å; E466-L468 PolarHBondContact O-N 2.77Å; E466-K469 WeakPolarHBondContact O-CB 3.32Å; E466-K469 PolarHBondContact O-N 2.78Å; E466-K469 VanDerWaalsContact O-N 3.16Å; E466-K469 VanDerWaalsContact OE1-CE 3.29Å; E466-K469 WeakPolarHBondContact OE1-CE 3.34Å; E466-K469 IonicContact OE1-NZ 2.82Å; E466-K469 PolarHBondContact OE1-NZ 3.47Å; E466-K469 WeakPolarHBondContact OE2-CD 3.34Å; E466-K469 WeakPolarHBondContact OE2-CE 3.48Å; E466-K469 IonicContact OE2-NZ 3.9Å; E466-K469 PolarHBondContact OE2-NZ 2.88Å; E466-P498 HydrophobicContact CG-CB 4.21Å; E466-I501 HydrophobicContact CB-CB 4.08Å; E466-I501 HydrophobicContact CB-CD1 4.11Å; E466-I501 HydrophobicContact CB-CG2 4.06Å
467	L	95.1	Very high	93.6	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-29.4	178.1	-170	69.7	0	0	0	112.8	K191 R463 L464 K469 V484 L493 I501	K191-L467 WeakPolarHBondContact CE-O 3.44Å; K191-L467 PolarHBondContact NZ-O 3.42Å; R463-L467 WeakPolarHBondContact O-CB 3.27Å; R463-L467 PolarHBondContact O-N 3.31Å; L464-L467 HydrophobicContact CD2-CD2 4.46Å; L464-L467 PolarHBondContact O-N 3Å; L467-K469 VanDerWaalsContact C-N 3.3Å; L467-V484 HydrophobicContact CD1-CG1 3.47Å; L467-V484 VanDerWaalsContact CD1-CG1 3.47Å; L467-V484 HydrophobicContact CD2-CG1 4.42Å; L467-V484 HydrophobicContact CG-CG1 3.92Å; L467-L493 HydrophobicContact CD1-CD1 3.98Å; L467-L493 HydrophobicContact CD2-CD1 4.38Å; L467-I501 HydrophobicContact CB-CG2 4.09Å; L467-I501 HydrophobicContact CD1-CG2 4Å
468	L	95.3	Very high	93.8	Very high	15 Å²	15	35.7 Å²	35.7	8%	0.079	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-9.7	178.3	-76.2	-179.4	0	0	0	113.8	K191 A192 L196 M430 L434 L464 T465 E466	K191-L468 HydrophobicContact CB-CD2 4.17Å; A192-L468 HydrophobicContact CB-CB 4.44Å; A192-L468 HydrophobicContact CB-CD2 4.22Å; L196-L468 HydrophobicContact CD1-CD1 3.74Å; L196-L468 HydrophobicContact CG-CD1 4.49Å; M430-L468 HydrophobicContact CE-CD1 3.73Å; M430-L468 HydrophobicContact CE-CD2 3.54Å; M430-L468 HydrophobicContact CE-CG 3.57Å; L434-L468 HydrophobicContact CD1-CD1 3.64Å; L464-L468 WeakPolarHBondContact O-CG 3.13Å; L464-L468 PolarHBondContact O-N 3.27Å; L464-L468 VanDerWaalsContact O-N 3.07Å; T465-L468 PolarHBondContact O-N 2.93Å; E466-L468 PolarHBondContact O-N 2.77Å
469	K	95.8	Very high	93.9	Very high	41 Å²	41	34.7 Å²	34.7	18%	0.178	19%	0.189	C	C	.	.			trans	-63.5	138.7	175.4	-67.6	-178.6	-178.3	171	0	110.3	K191 G400 R402 E466 L467	K191-K469 WeakPolarHBondContact CE-O 3.18Å; K191-K469 PolarHBondContact NZ-O 3.22Å; G400-K469 VanDerWaalsContact O-CE 3.32Å; G400-K469 WeakPolarHBondContact O-CE 3.44Å; R402-K469 CarbonylContact O-C 3.55Å; R402-K469 VanDerWaalsContact O-CA 3.31Å; R402-K469 WeakPolarHBondContact O-CA 3.48Å; E466-K469 WeakPolarHBondContact O-CB 3.32Å; E466-K469 PolarHBondContact O-N 2.78Å; E466-K469 VanDerWaalsContact O-N 3.16Å; E466-K469 VanDerWaalsContact OE1-CE 3.29Å; E466-K469 WeakPolarHBondContact OE1-CE 3.34Å; E466-K469 IonicContact OE1-NZ 2.82Å; E466-K469 PolarHBondContact OE1-NZ 3.47Å; E466-K469 WeakPolarHBondContact OE2-CD 3.34Å; E466-K469 WeakPolarHBondContact OE2-CE 3.48Å; E466-K469 IonicContact OE2-NZ 3.9Å; E466-K469 PolarHBondContact OE2-NZ 2.88Å; L467-K469 VanDerWaalsContact C-N 3.3Å
470	Q	95.6	Very high	94.1	Very high	23 Å²	23	32.8 Å²	32.8	11%	0.107	18%	0.178	C	C	.	.			trans	-147.8	136.5	-179.9	-167.6	171.4	-22	0	0	109.8	G189 R402 C474	G189-Q470 PolarHBondContact O-NE2 2.73Å; R402-Q470 PolarHBondContact O-N 2.88Å; R402-Q470 VanDerWaalsContact O-O 3.11Å; Q470-C474 PolarHBondContact NE2-O 3.41Å
471	G	93.3	Very high	94.4	Very high	46 Å²	46	30.4 Å²	30.4	47%	0.474	17%	0.169	S	C	.	.			trans	-68.2	153.7	174	0	0	0	0	0	111.7
472	Q	92.1	Very high	94.5	Very high	94 Å²	94	30.4 Å²	30.4	44%	0.439	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	145.8	172.6	-63.2	177.7	-3.3	0	0	110	A217 C474	A217-Q472 HydrophobicContact CB-CG 4.16Å; Q472-C474 PolarHBondContact O-N 3.38Å
473	Y	92.2	Very high	94.6	Very high	75 Å²	75	28.2 Å²	28.2	29%	0.294	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	18.3	177.4	-44.5	-49.2	0	0	0	114.8	I220 D221 I224 R259 P475	I220-Y473 HydrophobicContact CB-CE1 4.05Å; I220-Y473 HydrophobicContact CD1-CE1 4.37Å; I220-Y473 HydrophobicContact CG2-CD1 3.97Å; I220-Y473 HydrophobicContact CG2-CE1 3.57Å; D221-Y473 WeakPolarHBondContact OD1-CA 3.49Å; D221-Y473 WeakPolarHBondContact OD1-CD1 3.23Å; D221-Y473 PolarHBondContact OD1-N 3.37Å; D221-Y473 PolarHBondContact OD2-N 3.49Å; I224-Y473 HydrophobicContact CD1-CD1 3.89Å; R259-Y473 PolarHBondContact NH1-OH 3.03Å; Y473-P475 WeakPolarHBondContact O-CD 3.48Å
474	C	92.8	Very high	94.6	Very high	83 Å²	83	27 Å²	27	56%	0.561	15%	0.151	S	C	*	.			trans	-120.7	63.3	176.1	-62	0	0	0	0	110.7	Q470 Q472	Q470-C474 PolarHBondContact NE2-O 3.41Å; Q472-C474 PolarHBondContact O-N 3.38Å
475	P	95.3	Very high	94.6	Very high	29 Å²	29	27 Å²	27	19%	0.188	15%	0.15	C	C	.	.			trans	-67.8	139.3	178.6	28.9	-33.9	0	0	0	111.3	G189 I224 N225 R228 Y473	G189-P475 WeakPolarHBondContact O-CA 3.35Å; I224-P475 HydrophobicContact CB-CG 4.33Å; I224-P475 HydrophobicContact CG2-CG 3.82Å; N225-P475 HydrophobicContact CB-CB 3.8Å; N225-P475 HydrophobicContact CB-CG 4.35Å; N225-P475 WeakPolarHBondContact OD1-CB 3.42Å; R228-P475 PolarHBondContact NH2-O 3.34Å; Y473-P475 WeakPolarHBondContact O-CD 3.48Å
476	M	95.1	Very high	94.7	Very high	15 Å²	15	26 Å²	26	7%	0.074	14%	0.144	C	C	.	.			trans	-105.5	144.9	-171.6	-173.1	-179.9	-66.9	0	0	112	G189 K191 R228 E480 Q481 V484 E505 L509	G189-M476 WeakPolarHBondContact CA-O 3.39Å; G189-M476 PolarHBondContact O-N 3.49Å; K191-M476 HydrophobicContact CD-CE 3.92Å; K191-M476 HydrophobicContact CD-SD 4Å; K191-M476 HydrophobicContact CG-CE 4.39Å; K191-M476 HydrophobicContact CG-SD 4.04Å; R228-M476 PolarHBondContact NH1-O 2.93Å; R228-M476 PolarHBondContact NH2-O 3.33Å; M476-E480 HydrophobicContact CG-CB 3.49Å; M476-E480 VanDerWaalsContact CG-CB 3.49Å; M476-E480 HydrophobicContact CG-CG 4.48Å; M476-E480 WeakPolarHBondContact CG-OE2 3.38Å; M476-E480 HydrophobicContact SD-CB 3.96Å; M476-Q481 HydrophobicContact CB-CG 3.76Å; M476-Q481 HydrophobicContact CG-CG 3.65Å; M476-Q481 PolarHBondContact O-NE2 3.25Å; M476-Q481 VanDerWaalsContact O-NE2 3.11Å; M476-Q481 VanDerWaalsContact SD-CA 3.59Å; M476-Q481 HydrophobicContact SD-CB 4.13Å; M476-Q481 HydrophobicContact SD-CG 3.57Å; M476-Q481 VanDerWaalsContact SD-CG 3.57Å; M476-V484 HydrophobicContact SD-CG2 4.44Å; M476-E505 WeakPolarHBondContact CE-OE1 3.42Å; M476-L509 HydrophobicContact CE-CD1 3.52Å; M476-L509 HydrophobicContact SD-CD1 4.32Å
477	A	95.3	Very high	94.6	Very high	8 Å²	8	24.1 Å²	24.1	7%	0.066	14%	0.135	C	C	.	.			trans	-63.5	149.7	173.9	0	0	0	0	0	112.2	E479 E480 Q481	A477-E479 VanDerWaalsContact C-N 3.3Å; A477-E479 HydrophobicContact CB-CG 4.37Å; A477-E479 WeakPolarHBondContact CB-OE1 3.38Å; A477-E479 PolarHBondContact O-N 2.67Å; A477-E480 HydrophobicContact CB-CB 4.2Å; A477-E480 VanDerWaalsContact CB-CD 3.41Å; A477-E480 HydrophobicContact CB-CG 3.84Å; A477-E480 PolarHBondContact N-OE2 3.27Å; A477-E480 WeakPolarHBondContact O-CB 3.44Å; A477-E480 PolarHBondContact O-N 3.38Å; A477-Q481 VanDerWaalsContact O-CG 3.31Å; A477-Q481 WeakPolarHBondContact O-CG 3.46Å; A477-Q481 PolarHBondContact O-N 3.15Å
478	I	94.2	Very high	94.5	Very high	23 Å²	23	24.2 Å²	24.2	12%	0.118	14%	0.136	C	C	.	.	H	α-helix	trans	-62.9	-40.7	-175.9	-174	63.4	0	0	0	111.3	T420 M423 E480 Q481 V482	T420-I478 HydrophobicContact CG2-CG1 4.3Å; M423-I478 HydrophobicContact CB-CD1 4.34Å; M423-I478 HydrophobicContact CE-CD1 3.49Å; M423-I478 VanDerWaalsContact CE-CD1 3.49Å; I478-E480 VanDerWaalsContact C-N 3.34Å; I478-E480 PolarHBondContact O-N 3.12Å; I478-Q481 PolarHBondContact O-N 3.5Å; I478-V482 HydrophobicContact CG1-CG2 4.49Å; I478-V482 WeakPolarHBondContact O-CB 3.17Å; I478-V482 VanDerWaalsContact O-CG2 3.22Å; I478-V482 WeakPolarHBondContact O-CG2 3.27Å; I478-V482 PolarHBondContact O-N 2.97Å
479	E	94.1	Very high	94.3	Very high	5 Å²	5	24.3 Å²	24.3	2%	0.023	14%	0.137	C	C	.	.	H	α-helix	trans	-66.1	-34.1	176.8	59.9	-81.2	-169.6	0	0	112.9	A477 T483 L520 I523 R524	A477-E479 VanDerWaalsContact C-N 3.3Å; A477-E479 HydrophobicContact CB-CG 4.37Å; A477-E479 WeakPolarHBondContact CB-OE1 3.38Å; A477-E479 PolarHBondContact O-N 2.67Å; E479-T483 WeakPolarHBondContact O-CB 3.4Å; E479-T483 PolarHBondContact O-N 3.19Å; E479-T483 VanDerWaalsContact O-N 3.11Å; E479-T483 PolarHBondContact O-OG1 3.19Å; E479-L520 HydrophobicContact CB-CD2 4.08Å; E479-L520 HydrophobicContact CG-CB 4.03Å; E479-L520 HydrophobicContact CG-CD2 3.99Å; E479-L520 HydrophobicContact CG-CG 4.5Å; E479-I523 HydrophobicContact CB-CB 4.19Å; E479-I523 HydrophobicContact CB-CG2 3.87Å; E479-R524 IonicContact OE1-CZ 3.09Å; E479-R524 IonicContact OE1-NE 2.8Å; E479-R524 PolarHBondContact OE1-NE 3.03Å; E479-R524 IonicContact OE1-NH2 2.61Å; E479-R524 PolarHBondContact OE1-NH2 2.9Å; E479-R524 IonicContact OE2-NE 3.71Å
480	E	95.4	Very high	94.1	Very high	40 Å²	40	29 Å²	29	19%	0.187	15%	0.154	C	C	.	.	H	α-helix	trans	-66.7	-48.2	172.4	-68.5	164.1	-169.5	0	0	110.1	M476 A477 I478 V482 T483 V484 L509 L513	M476-E480 HydrophobicContact CG-CB 3.49Å; M476-E480 VanDerWaalsContact CG-CB 3.49Å; M476-E480 HydrophobicContact CG-CG 4.48Å; M476-E480 WeakPolarHBondContact CG-OE2 3.38Å; M476-E480 HydrophobicContact SD-CB 3.96Å; A477-E480 HydrophobicContact CB-CB 4.2Å; A477-E480 VanDerWaalsContact CB-CD 3.41Å; A477-E480 HydrophobicContact CB-CG 3.84Å; A477-E480 PolarHBondContact N-OE2 3.27Å; A477-E480 WeakPolarHBondContact O-CB 3.44Å; A477-E480 PolarHBondContact O-N 3.38Å; I478-E480 VanDerWaalsContact C-N 3.34Å; I478-E480 PolarHBondContact O-N 3.12Å; E480-V482 VanDerWaalsContact C-N 3.33Å; E480-V482 PolarHBondContact O-N 3.04Å; E480-T483 PolarHBondContact O-N 3.2Å; E480-V484 WeakPolarHBondContact O-CG2 3.49Å; E480-V484 PolarHBondContact O-N 2.83Å; E480-L509 HydrophobicContact CB-CD2 3.93Å; E480-L509 HydrophobicContact CG-CD2 4.32Å; E480-L513 HydrophobicContact CG-CD2 4.27Å
481	Q	96.2	Very high	93.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.8	-45.4	177.3	-66.1	-178.1	38.4	0	0	111.2	K191 D194 M423 M476 A477 I478 T483 V484 I485	K191-Q481 HydrophobicContact CG-CB 4.33Å; K191-Q481 HydrophobicContact CG-CG 3.84Å; D194-Q481 PolarHBondContact OD2-NE2 2.97Å; D194-Q481 PolarHBondContact OD2-OE1 3.13Å; M423-Q481 HydrophobicContact CE-CB 3.87Å; M476-Q481 HydrophobicContact CB-CG 3.76Å; M476-Q481 HydrophobicContact CG-CG 3.65Å; M476-Q481 PolarHBondContact O-NE2 3.25Å; M476-Q481 VanDerWaalsContact O-NE2 3.11Å; M476-Q481 VanDerWaalsContact SD-CA 3.59Å; M476-Q481 HydrophobicContact SD-CB 4.13Å; M476-Q481 HydrophobicContact SD-CG 3.57Å; M476-Q481 VanDerWaalsContact SD-CG 3.57Å; A477-Q481 VanDerWaalsContact O-CG 3.31Å; A477-Q481 WeakPolarHBondContact O-CG 3.46Å; A477-Q481 PolarHBondContact O-N 3.15Å; I478-Q481 PolarHBondContact O-N 3.5Å; Q481-T483 VanDerWaalsContact C-N 3.3Å; Q481-T483 PolarHBondContact O-N 3.27Å; Q481-V484 PolarHBondContact O-N 2.83Å; Q481-I485 HydrophobicContact CB-CD1 4.46Å; Q481-I485 WeakPolarHBondContact O-CB 3.43Å; Q481-I485 WeakPolarHBondContact O-CD1 3.43Å; Q481-I485 VanDerWaalsContact O-CG1 3.22Å; Q481-I485 WeakPolarHBondContact O-CG1 3.37Å; Q481-I485 PolarHBondContact O-N 2.92Å
482	V	95.5	Very high	93.7	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-57.9	-44.6	177.9	166.5	0	0	0	0	110.7	A422 M423 V426 I478 E480 Y486 I529	A422-V482 HydrophobicContact CB-CG1 4.35Å; A422-V482 HydrophobicContact CB-CG2 4.15Å; M423-V482 HydrophobicContact CB-CG2 4.27Å; M423-V482 HydrophobicContact CE-CG2 3.86Å; M423-V482 HydrophobicContact SD-CG2 4.44Å; V426-V482 HydrophobicContact CG1-CG1 4.19Å; V426-V482 HydrophobicContact CG2-CG1 4.25Å; V426-V482 HydrophobicContact CG2-CG2 4.44Å; I478-V482 HydrophobicContact CG1-CG2 4.49Å; I478-V482 WeakPolarHBondContact O-CB 3.17Å; I478-V482 VanDerWaalsContact O-CG2 3.22Å; I478-V482 WeakPolarHBondContact O-CG2 3.27Å; I478-V482 PolarHBondContact O-N 2.97Å; E480-V482 VanDerWaalsContact C-N 3.33Å; E480-V482 PolarHBondContact O-N 3.04Å; V482-Y486 WeakPolarHBondContact O-CB 3.32Å; V482-Y486 PolarHBondContact O-N 3.42Å; V482-I529 HydrophobicContact CG1-CD1 3.67Å; V482-I529 HydrophobicContact CG1-CG1 4.22Å
483	T	94.8	Very high	93.8	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-67	-40.5	-178.4	-55.5	0	0	0	0	112	E479 E480 Q481 A487 F508 V512 L537	E479-T483 WeakPolarHBondContact O-CB 3.4Å; E479-T483 PolarHBondContact O-N 3.19Å; E479-T483 VanDerWaalsContact O-N 3.11Å; E479-T483 PolarHBondContact O-OG1 3.19Å; E480-T483 PolarHBondContact O-N 3.2Å; Q481-T483 VanDerWaalsContact C-N 3.3Å; Q481-T483 PolarHBondContact O-N 3.27Å; T483-A487 PolarHBondContact O-N 3.26Å; T483-F508 HydrophobicContact CG2-CE1 3.59Å; T483-F508 HydrophobicContact CG2-CZ 3.8Å; T483-V512 HydrophobicContact CG2-CG1 4.35Å; T483-V512 HydrophobicContact CG2-CG2 4.25Å; T483-L537 HydrophobicContact CG2-CD2 3.73Å
484	V	95.3	Very high	93.7	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-67.2	-48.4	176.1	172.4	0	0	0	0	111.2	K191 L467 M476 E480 Q481 Y486 A487 G488 E505 L509	K191-V484 HydrophobicContact CD-CG1 4.29Å; L467-V484 HydrophobicContact CD1-CG1 3.47Å; L467-V484 VanDerWaalsContact CD1-CG1 3.47Å; L467-V484 HydrophobicContact CD2-CG1 4.42Å; L467-V484 HydrophobicContact CG-CG1 3.92Å; M476-V484 HydrophobicContact SD-CG2 4.44Å; E480-V484 WeakPolarHBondContact O-CG2 3.49Å; E480-V484 PolarHBondContact O-N 2.83Å; Q481-V484 PolarHBondContact O-N 2.83Å; V484-Y486 VanDerWaalsContact C-N 3.3Å; V484-Y486 PolarHBondContact O-N 2.89Å; V484-A487 PolarHBondContact O-N 3.05Å; V484-G488 PolarHBondContact O-N 3.31Å; V484-E505 HydrophobicContact CG1-CG 3.89Å; V484-E505 HydrophobicContact CG2-CG 4.13Å; V484-L509 HydrophobicContact CG2-CD1 3.96Å; V484-L509 HydrophobicContact CG2-CD2 3.48Å; V484-L509 VanDerWaalsContact CG2-CD2 3.48Å; V484-L509 HydrophobicContact CG2-CG 3.66Å
485	I	95.3	Very high	93.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-64.4	-37.6	-179.6	-68.6	166.5	0	0	0	110.7	M423 V426 M430 Q481 A487 G488 V489	M423-I485 HydrophobicContact CE-CD1 3.88Å; M423-I485 HydrophobicContact SD-CD1 3.84Å; V426-I485 HydrophobicContact CB-CG2 4.25Å; V426-I485 HydrophobicContact CG2-CB 4.35Å; V426-I485 HydrophobicContact CG2-CG2 3.94Å; M430-I485 HydrophobicContact SD-CG2 3.97Å; Q481-I485 HydrophobicContact CB-CD1 4.46Å; Q481-I485 WeakPolarHBondContact O-CB 3.43Å; Q481-I485 WeakPolarHBondContact O-CD1 3.43Å; Q481-I485 VanDerWaalsContact O-CG1 3.22Å; Q481-I485 WeakPolarHBondContact O-CG1 3.37Å; Q481-I485 PolarHBondContact O-N 2.92Å; I485-A487 VanDerWaalsContact C-N 3.31Å; I485-A487 PolarHBondContact O-N 3.33Å; I485-G488 PolarHBondContact O-N 3.47Å; I485-V489 HydrophobicContact CG2-CG2 3.82Å; I485-V489 WeakPolarHBondContact O-CG2 3.5Å; I485-V489 PolarHBondContact O-N 3.31Å
486	Y	94.8	Very high	93.3	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-53.4	-47.4	175	178.9	-89.3	0	0	0	112	V426 V482 V484 G488 V489 R490 H492 I529 D534 L537 V541	V426-Y486 HydrophobicContact CG1-CD2 3.97Å; V482-Y486 WeakPolarHBondContact O-CB 3.32Å; V482-Y486 PolarHBondContact O-N 3.42Å; V484-Y486 VanDerWaalsContact C-N 3.3Å; V484-Y486 PolarHBondContact O-N 2.89Å; Y486-G488 VanDerWaalsContact C-N 3.31Å; Y486-G488 PolarHBondContact O-N 2.97Å; Y486-V489 PolarHBondContact O-N 2.86Å; Y486-R490 HydrophobicContact CD1-CG 4.28Å; Y486-R490 HydrophobicContact CD2-CG 3.94Å; Y486-R490 HydrophobicContact CE1-CG 4.03Å; Y486-R490 HydrophobicContact CE2-CG 3.7Å; Y486-R490 HydrophobicContact CG-CG 4.22Å; Y486-R490 WeakPolarHBondContact O-CB 3.4Å; Y486-R490 WeakPolarHBondContact O-CG 3.47Å; Y486-R490 PolarHBondContact O-N 2.89Å; Y486-H492 AromaticContact CE1-NE2 3.97Å; Y486-I529 HydrophobicContact CD2-CD1 4.5Å; Y486-D534 WeakPolarHBondContact CE2-OD1 3.29Å; Y486-D534 PolarHBondContact OH-O 2.82Å; Y486-D534 PolarHBondContact OH-OD1 2.82Å; Y486-L537 HydrophobicContact CD1-CB 4.35Å; Y486-L537 HydrophobicContact CE1-CB 4.03Å; Y486-V541 HydrophobicContact CD1-CG2 4.44Å
487	A	93.9	Very high	93.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.1	-40.5	-179.8	0	0	0	0	0	112.3	T483 V484 I485 H492 L493 F504 V541	T483-A487 PolarHBondContact O-N 3.26Å; V484-A487 PolarHBondContact O-N 3.05Å; I485-A487 VanDerWaalsContact C-N 3.31Å; I485-A487 PolarHBondContact O-N 3.33Å; A487-H492 WeakPolarHBondContact O-CB 3.39Å; A487-H492 PolarHBondContact O-N 3.01Å; A487-H492 VanDerWaalsContact O-N 3.15Å; A487-L493 HydrophobicContact CB-CD1 4.37Å; A487-L493 HydrophobicContact CB-CD2 4.49Å; A487-L493 HydrophobicContact CB-CG 4.33Å; A487-F504 HydrophobicContact CB-CE1 4.4Å; A487-V541 HydrophobicContact CB-CG1 4.18Å; A487-V541 HydrophobicContact CB-CG2 4.3Å
488	G	92.3	Very high	93.1	Very high	3 Å²	3	33 Å²	33	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-69.4	-53.7	176.6	0	0	0	0	0	113.2	V484 I485 Y486 R490 G491	V484-G488 PolarHBondContact O-N 3.31Å; I485-G488 PolarHBondContact O-N 3.47Å; Y486-G488 VanDerWaalsContact C-N 3.31Å; Y486-G488 PolarHBondContact O-N 2.97Å; G488-R490 PolarHBondContact O-N 3.34Å; G488-G491 PolarHBondContact O-N 3.49Å; G488-G491 VanDerWaalsContact O-N 3.08Å
489	V	91.8	Very high	93	Very high	17 Å²	17	37 Å²	37	10%	0.103	19%	0.185	C	C	.	.	H	α-helix	trans	-72	-28	-171.6	178.5	0	0	0	0	112.5	V426 M430 R460 L464 I485 Y486 G491	V426-V489 WeakPolarHBondContact O-CG1 3.29Å; M430-V489 HydrophobicContact CB-CG2 4.15Å; M430-V489 HydrophobicContact CG-CG2 4.13Å; M430-V489 HydrophobicContact SD-CG2 4.23Å; R460-V489 PolarHBondContact NH1-O 2.78Å; R460-V489 PolarHBondContact NH2-O 3.45Å; L464-V489 HydrophobicContact CD2-CG2 4.24Å; I485-V489 HydrophobicContact CG2-CG2 3.82Å; I485-V489 WeakPolarHBondContact O-CG2 3.5Å; I485-V489 PolarHBondContact O-N 3.31Å; Y486-V489 PolarHBondContact O-N 2.86Å; V489-G491 PolarHBondContact O-N 2.62Å
490	R	91.1	Very high	93	Very high	141 Å²	141	40.8 Å²	40.8	53%	0.532	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	0.8	173	-63.9	-61.5	-160.6	174.6	9.1	113.6	Y486 G488 H492 D534	Y486-R490 HydrophobicContact CD1-CG 4.28Å; Y486-R490 HydrophobicContact CD2-CG 3.94Å; Y486-R490 HydrophobicContact CE1-CG 4.03Å; Y486-R490 HydrophobicContact CE2-CG 3.7Å; Y486-R490 HydrophobicContact CG-CG 4.22Å; Y486-R490 WeakPolarHBondContact O-CB 3.4Å; Y486-R490 WeakPolarHBondContact O-CG 3.47Å; Y486-R490 PolarHBondContact O-N 2.89Å; G488-R490 PolarHBondContact O-N 3.34Å; R490-H492 VanDerWaalsContact C-N 3.31Å; R490-H492 WeakPolarHBondContact CB-NE2 3.35Å; R490-H492 PolarHBondContact O-N 2.84Å; R490-D534 IonicContact NH2-OD1 3.8Å; R490-D534 PolarHBondContact NH2-OD1 3.12Å; R490-D534 VanDerWaalsContact NH2-OD1 3.12Å
491	G	89.8	Confident	93	Very high	18 Å²	18	38.9 Å²	38.9	19%	0.186	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	13.8	177.1	0	0	0	0	0	114.2	G488 V489 L493 D494	G488-G491 PolarHBondContact O-N 3.49Å; G488-G491 VanDerWaalsContact O-N 3.08Å; V489-G491 PolarHBondContact O-N 2.62Å; G491-L493 PolarHBondContact O-N 3.14Å; G491-D494 WeakPolarHBondContact CA-OD2 3.45Å; G491-D494 WeakPolarHBondContact O-CB 3.32Å; G491-D494 PolarHBondContact O-N 2.88Å
492	H	91.6	Very high	92.8	Very high	41 Å²	41	41.1 Å²	41.1	19%	0.19	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-23	178.6	-61.4	-49.9	0	0	0	112.2	Y486 A487 R490 V541 L545	Y486-H492 AromaticContact CE1-NE2 3.97Å; A487-H492 WeakPolarHBondContact O-CB 3.39Å; A487-H492 PolarHBondContact O-N 3.01Å; A487-H492 VanDerWaalsContact O-N 3.15Å; R490-H492 VanDerWaalsContact C-N 3.31Å; R490-H492 WeakPolarHBondContact CB-NE2 3.35Å; R490-H492 PolarHBondContact O-N 2.84Å; H492-V541 HydrophobicContact CB-CG1 3.67Å; H492-L545 HydrophobicContact CB-CD1 3.92Å; H492-L545 WeakPolarHBondContact O-CD1 3.17Å
493	L	92.5	Very high	92.8	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-2.6	178.9	-54.5	-177.4	0	0	0	113.9	R463 L467 A487 G491 K495 M496 F504 L545	R463-L493 VanDerWaalsContact CD-O 3.24Å; R463-L493 WeakPolarHBondContact CD-O 3.15Å; R463-L493 PolarHBondContact NE-O 2.96Å; L467-L493 HydrophobicContact CD1-CD1 3.98Å; L467-L493 HydrophobicContact CD2-CD1 4.38Å; A487-L493 HydrophobicContact CB-CD1 4.37Å; A487-L493 HydrophobicContact CB-CD2 4.49Å; A487-L493 HydrophobicContact CB-CG 4.33Å; G491-L493 PolarHBondContact O-N 3.14Å; L493-K495 PolarHBondContact O-N 3.29Å; L493-K495 VanDerWaalsContact O-N 3.11Å; L493-M496 HydrophobicContact CD2-CE 4.34Å; L493-M496 HydrophobicContact CD2-SD 4.49Å; L493-M496 WeakPolarHBondContact O-CB 3.34Å; L493-M496 PolarHBondContact O-N 3.47Å; L493-F504 HydrophobicContact CD1-CD1 4.32Å; L493-F504 HydrophobicContact CD1-CE1 4.15Å; L493-F504 HydrophobicContact CD2-CD1 3.85Å; L493-F504 HydrophobicContact CD2-CE1 3.51Å; L493-F504 HydrophobicContact CD2-CE2 4.19Å; L493-F504 HydrophobicContact CD2-CG 4.37Å; L493-F504 HydrophobicContact CD2-CZ 3.69Å; L493-F504 HydrophobicContact CG-CE1 4.43Å; L493-L545 HydrophobicContact CD2-CD2 4.11Å
494	D	90.3	Very high	92.8	Very high	43 Å²	43	48.3 Å²	48.3	23%	0.23	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.6	-171	-72	-7.6	0	0	0	113.6	R463 G491	R463-D494 PolarHBondContact NE-O 3.39Å; R463-D494 PolarHBondContact NH2-O 3.15Å; R463-D494 VanDerWaalsContact NH2-O 3.14Å; G491-D494 WeakPolarHBondContact CA-OD2 3.45Å; G491-D494 WeakPolarHBondContact O-CB 3.32Å; G491-D494 PolarHBondContact O-N 2.88Å
495	K	89.3	Confident	92.8	Very high	210 Å²	210	48.9 Å²	48.9	91%	0.913	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-10.6	177.1	-62.7	-175.4	-179	-178.9	0	113.9	L493	L493-K495 PolarHBondContact O-N 3.29Å; L493-K495 VanDerWaalsContact O-N 3.11Å
496	M	91.3	Very high	92.7	Very high	26 Å²	26	55.5 Å²	55.5	13%	0.128	27%	0.269	C	S	.	.	S	Bend	trans	-78.2	147.1	-177.4	-172.8	172.8	-73.5	0	0	111	R463 L493 K500 I501 F504 L545 F548	R463-M496 PolarHBondContact NE-O 3.12Å; R463-M496 PolarHBondContact NH2-O 2.89Å; L493-M496 HydrophobicContact CD2-CE 4.34Å; L493-M496 HydrophobicContact CD2-SD 4.49Å; L493-M496 WeakPolarHBondContact O-CB 3.34Å; L493-M496 PolarHBondContact O-N 3.47Å; M496-K500 HydrophobicContact CG-CB 4.16Å; M496-K500 HydrophobicContact SD-CB 4.25Å; M496-I501 HydrophobicContact CG-CG1 4.46Å; M496-I501 HydrophobicContact SD-CG1 4.12Å; M496-F504 HydrophobicContact CE-CB 4.02Å; M496-F504 HydrophobicContact CE-CD2 3.66Å; M496-F504 HydrophobicContact CE-CE2 4.35Å; M496-F504 HydrophobicContact CE-CG 3.9Å; M496-F504 HydrophobicContact SD-CB 3.73Å; M496-F504 HydrophobicContact SD-CD2 4.41Å; M496-F504 HydrophobicContact SD-CG 4.04Å; M496-L545 HydrophobicContact CE-CD2 3.43Å; M496-L545 VanDerWaalsContact CE-CD2 3.43Å; M496-F548 HydrophobicContact CE-CD1 3.75Å; M496-F548 HydrophobicContact CE-CE1 3.92Å; M496-F548 HydrophobicContact SD-CE1 4.39Å
497	D	93	Very high	92.7	Very high	82 Å²	82	56.8 Å²	56.8	44%	0.439	28%	0.28	S	S	.	.			trans	-66.4	130.4	169.3	-172.6	-60.5	0	0	0	110.3	T499 K500	D497-T499 PolarHBondContact O-N 3.41Å; D497-T499 VanDerWaalsContact O-N 3.11Å; D497-T499 WeakPolarHBondContact OD1-CB 3.35Å; D497-T499 WeakPolarHBondContact OD1-CG2 3.48Å; D497-T499 PolarHBondContact OD1-N 2.59Å; D497-T499 PolarHBondContact OD1-OG1 3.21Å; D497-K500 HydrophobicContact CB-CD 4.47Å; D497-K500 HydrophobicContact CB-CG 4.34Å; D497-K500 PolarHBondContact O-N 3.41Å
498	P	92.1	Very high	92.8	Very high	34 Å²	34	56.8 Å²	56.8	22%	0.221	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-51.4	-35.1	179.4	-29	36.2	0	0	0	115	V462 R463 E466 K500 I501	V462-P498 HydrophobicContact CG1-CB 3.81Å; V462-P498 HydrophobicContact CG1-CG 3.73Å; R463-P498 HydrophobicContact CG-CG 4.46Å; E466-P498 HydrophobicContact CG-CB 4.21Å; P498-K500 PolarHBondContact O-N 2.82Å; P498-I501 WeakPolarHBondContact O-CB 3.32Å; P498-I501 PolarHBondContact O-N 3.27Å
499	T	93.3	Very high	92.9	Very high	108 Å²	108	57.7 Å²	57.7	66%	0.663	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-67.4	-21.8	-179	63.8	0	0	0	0	113.3	D497	D497-T499 PolarHBondContact O-N 3.41Å; D497-T499 VanDerWaalsContact O-N 3.11Å; D497-T499 WeakPolarHBondContact OD1-CB 3.35Å; D497-T499 WeakPolarHBondContact OD1-CG2 3.48Å; D497-T499 PolarHBondContact OD1-N 2.59Å; D497-T499 PolarHBondContact OD1-OG1 3.21Å
500	K	94.4	Very high	93	Very high	83 Å²	83	63.6 Å²	63.6	36%	0.361	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-88.3	-13.3	179.3	-64.9	-173.2	178.5	-173.5	0	113.1	M496 D497 P498 T502 K503 F504 E549	M496-K500 HydrophobicContact CG-CB 4.16Å; M496-K500 HydrophobicContact SD-CB 4.25Å; D497-K500 HydrophobicContact CB-CD 4.47Å; D497-K500 HydrophobicContact CB-CG 4.34Å; D497-K500 PolarHBondContact O-N 3.41Å; P498-K500 PolarHBondContact O-N 2.82Å; K500-T502 PolarHBondContact O-N 2.9Å; K500-K503 WeakPolarHBondContact O-CB 3.4Å; K500-K503 PolarHBondContact O-N 3.23Å; K500-F504 PolarHBondContact O-N 3.1Å; K500-E549 PolarHBondContact NZ-OXT 3.45Å
501	I	94.6	Very high	93.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.1	-44.6	-172.5	-69.1	178.8	0	0	0	112.6	R463 E466 L467 M496 P498 K503 F504 E505	R463-I501 VanDerWaalsContact CA-CD1 3.45Å; R463-I501 HydrophobicContact CB-CD1 3.44Å; R463-I501 VanDerWaalsContact CB-CD1 3.44Å; R463-I501 HydrophobicContact CG-CD1 3.6Å; E466-I501 HydrophobicContact CB-CB 4.08Å; E466-I501 HydrophobicContact CB-CD1 4.11Å; E466-I501 HydrophobicContact CB-CG2 4.06Å; L467-I501 HydrophobicContact CB-CG2 4.09Å; L467-I501 HydrophobicContact CD1-CG2 4Å; M496-I501 HydrophobicContact CG-CG1 4.46Å; M496-I501 HydrophobicContact SD-CG1 4.12Å; P498-I501 WeakPolarHBondContact O-CB 3.32Å; P498-I501 PolarHBondContact O-N 3.27Å; I501-K503 PolarHBondContact O-N 3.01Å; I501-F504 WeakPolarHBondContact O-CB 3.34Å; I501-F504 PolarHBondContact O-N 2.64Å; I501-E505 WeakPolarHBondContact O-CB 3.43Å; I501-E505 PolarHBondContact O-N 2.66Å
502	T	92.7	Very high	93.3	Very high	48 Å²	48	58 Å²	58	29%	0.294	29%	0.286	S	S	.	.	H	α-helix	trans	-66.7	-28.7	178.5	-47.2	0	0	0	0	112.3	K500 K506	K500-T502 PolarHBondContact O-N 2.9Å; T502-K506 WeakPolarHBondContact O-CG 3.49Å; T502-K506 PolarHBondContact O-N 2.89Å
503	K	94.1	Very high	93.4	Very high	152 Å²	152	59.1 Å²	59.1	66%	0.661	29%	0.293	S	S	*	.	H	α-helix	trans	-74.1	-45	173.8	-66.6	-178.2	179.8	177.9	0	110.7	K500 I501 E505 K506 A507 F548	K500-K503 WeakPolarHBondContact O-CB 3.4Å; K500-K503 PolarHBondContact O-N 3.23Å; I501-K503 PolarHBondContact O-N 3.01Å; K503-E505 VanDerWaalsContact C-N 3.34Å; K503-E505 PolarHBondContact O-N 3.15Å; K503-K506 PolarHBondContact O-N 3.37Å; K503-A507 PolarHBondContact O-N 2.77Å; K503-F548 HydrophobicContact CB-CZ 4.32Å
504	F	95.4	Very high	93.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-54.2	-51.3	174	166.8	-93.9	0	0	0	110.7	A487 L493 M496 K500 I501 K506 A507 F508 F544 L545 F548	A487-F504 HydrophobicContact CB-CE1 4.4Å; L493-F504 HydrophobicContact CD1-CD1 4.32Å; L493-F504 HydrophobicContact CD1-CE1 4.15Å; L493-F504 HydrophobicContact CD2-CD1 3.85Å; L493-F504 HydrophobicContact CD2-CE1 3.51Å; L493-F504 HydrophobicContact CD2-CE2 4.19Å; L493-F504 HydrophobicContact CD2-CG 4.37Å; L493-F504 HydrophobicContact CD2-CZ 3.69Å; L493-F504 HydrophobicContact CG-CE1 4.43Å; M496-F504 HydrophobicContact CE-CB 4.02Å; M496-F504 HydrophobicContact CE-CD2 3.66Å; M496-F504 HydrophobicContact CE-CE2 4.35Å; M496-F504 HydrophobicContact CE-CG 3.9Å; M496-F504 HydrophobicContact SD-CB 3.73Å; M496-F504 HydrophobicContact SD-CD2 4.41Å; M496-F504 HydrophobicContact SD-CG 4.04Å; K500-F504 PolarHBondContact O-N 3.1Å; I501-F504 WeakPolarHBondContact O-CB 3.34Å; I501-F504 PolarHBondContact O-N 2.64Å; F504-K506 VanDerWaalsContact C-N 3.32Å; F504-K506 PolarHBondContact O-N 3.36Å; F504-A507 PolarHBondContact O-N 2.93Å; F504-F508 HydrophobicContact CD1-CB 4.48Å; F504-F508 HydrophobicContact CD2-CB 4.49Å; F504-F508 HydrophobicContact CE1-CB 4.08Å; F504-F508 HydrophobicContact CE1-CD1 4.19Å; F504-F508 HydrophobicContact CE1-CG 4.17Å; F504-F508 HydrophobicContact CE2-CB 4.16Å; F504-F508 HydrophobicContact CE2-CG 4.37Å; F504-F508 HydrophobicContact CZ-CB 3.92Å; F504-F508 HydrophobicContact CZ-CD1 4.14Å; F504-F508 HydrophobicContact CZ-CD2 4.17Å; F504-F508 AromaticContact CZ-CG 3.81Å; F504-F508 HydrophobicContact CZ-CG 3.81Å; F504-F508 WeakPolarHBondContact O-CB 3.44Å; F504-F508 PolarHBondContact O-N 3.38Å; F504-F544 HydrophobicContact CD2-CD1 4.15Å; F504-F544 AromaticContact CD2-CE1 3.85Å; F504-F544 HydrophobicContact CD2-CE1 3.85Å; F504-F544 AromaticContact CE2-CD1 3.62Å; F504-F544 HydrophobicContact CE2-CD1 3.62Å; F504-F544 AromaticContact CE2-CE1 3.78Å; F504-F544 HydrophobicContact CE2-CE1 3.78Å; F504-F544 HydrophobicContact CZ-CD1 4.45Å; F504-L545 HydrophobicContact CD2-CD2 3.88Å; F504-L545 HydrophobicContact CE2-CD2 3.39Å; F504-L545 HydrophobicContact CE2-CG 3.95Å; F504-L545 HydrophobicContact CZ-CD2 4.12Å; F504-L545 HydrophobicContact CZ-CG 4.5Å; F504-F548 HydrophobicContact CB-CD1 4.32Å; F504-F548 HydrophobicContact CB-CE1 3.64Å; F504-F548 HydrophobicContact CB-CE2 4.37Å; F504-F548 HydrophobicContact CB-CZ 3.69Å; F504-F548 AromaticContact CD2-CD1 3.97Å; F504-F548 HydrophobicContact CD2-CD1 3.97Å; F504-F548 HydrophobicContact CD2-CE1 4.16Å; F504-F548 HydrophobicContact CD2-CG 4.16Å; F504-F548 HydrophobicContact CG-CE1 4.42Å
505	E	94.7	Very high	93.6	Very high	14 Å²	14	67 Å²	67	7%	0.065	34%	0.337	C	S	.	.	H	α-helix	trans	-54.6	-49	-178.7	-179.7	-167.3	158.4	0	0	111.6	K191 M476 V484 I501 K503 L509	K191-E505 IonicContact NZ-OE1 2.91Å; K191-E505 PolarHBondContact NZ-OE1 3.18Å; K191-E505 IonicContact NZ-OE2 3.26Å; K191-E505 PolarHBondContact NZ-OE2 3.1Å; M476-E505 WeakPolarHBondContact CE-OE1 3.42Å; V484-E505 HydrophobicContact CG1-CG 3.89Å; V484-E505 HydrophobicContact CG2-CG 4.13Å; I501-E505 WeakPolarHBondContact O-CB 3.43Å; I501-E505 PolarHBondContact O-N 2.66Å; K503-E505 VanDerWaalsContact C-N 3.34Å; K503-E505 PolarHBondContact O-N 3.15Å; E505-L509 HydrophobicContact CG-CD1 3.96Å; E505-L509 VanDerWaalsContact O-CB 3.28Å; E505-L509 WeakPolarHBondContact O-CB 3.34Å; E505-L509 VanDerWaalsContact O-CG 3.28Å; E505-L509 WeakPolarHBondContact O-CG 3.37Å; E505-L509 PolarHBondContact O-N 3.31Å
506	K	94.1	Very high	93.8	Very high	140 Å²	140	59.5 Å²	59.5	61%	0.609	31%	0.305	S	S	*	.	H	α-helix	trans	-62.9	-46.3	-179.5	-71.7	179.9	179.7	-176.1	0	112	T502 K503 F504 Q510	T502-K506 WeakPolarHBondContact O-CG 3.49Å; T502-K506 PolarHBondContact O-N 2.89Å; K503-K506 PolarHBondContact O-N 3.37Å; F504-K506 VanDerWaalsContact C-N 3.32Å; F504-K506 PolarHBondContact O-N 3.36Å; K506-Q510 WeakPolarHBondContact O-CG 3.4Å; K506-Q510 PolarHBondContact O-N 3.47Å; K506-Q510 VanDerWaalsContact O-N 3.08Å
507	A	95.3	Very high	93.9	Very high	30 Å²	30	64.2 Å²	64.2	25%	0.248	33%	0.327	C	S	.	.	H	α-helix	trans	-68.8	-41.3	-178.9	0	0	0	0	0	111.6	K503 F504 Q510 H511 F544 F548	K503-A507 PolarHBondContact O-N 2.77Å; F504-A507 PolarHBondContact O-N 2.93Å; A507-Q510 PolarHBondContact O-N 3.22Å; A507-H511 WeakPolarHBondContact O-CB 3.48Å; A507-H511 PolarHBondContact O-N 3.12Å; A507-F544 HydrophobicContact CB-CE1 4.49Å; A507-F544 HydrophobicContact CB-CZ 3.78Å; A507-F548 HydrophobicContact CB-CD2 4.34Å; A507-F548 HydrophobicContact CB-CE2 3.87Å
508	F	95.3	Very high	93.9	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63.9	-46	177.1	180	-118	0	0	0	111.4	T483 F504 Q510 H511 V512 I540 V541 F544	T483-F508 HydrophobicContact CG2-CE1 3.59Å; T483-F508 HydrophobicContact CG2-CZ 3.8Å; F504-F508 HydrophobicContact CD1-CB 4.48Å; F504-F508 HydrophobicContact CD2-CB 4.49Å; F504-F508 HydrophobicContact CE1-CB 4.08Å; F504-F508 HydrophobicContact CE1-CD1 4.19Å; F504-F508 HydrophobicContact CE1-CG 4.17Å; F504-F508 HydrophobicContact CE2-CB 4.16Å; F504-F508 HydrophobicContact CE2-CG 4.37Å; F504-F508 HydrophobicContact CZ-CB 3.92Å; F504-F508 HydrophobicContact CZ-CD1 4.14Å; F504-F508 HydrophobicContact CZ-CD2 4.17Å; F504-F508 AromaticContact CZ-CG 3.81Å; F504-F508 HydrophobicContact CZ-CG 3.81Å; F504-F508 WeakPolarHBondContact O-CB 3.44Å; F504-F508 PolarHBondContact O-N 3.38Å; F508-Q510 VanDerWaalsContact C-N 3.35Å; F508-Q510 PolarHBondContact O-N 2.8Å; F508-H511 WeakPolarHBondContact O-CB 3.33Å; F508-H511 PolarHBondContact O-N 3.02Å; F508-V512 HydrophobicContact CD1-CG2 4.48Å; F508-V512 HydrophobicContact CD2-CG2 4.12Å; F508-V512 HydrophobicContact CE1-CG2 4.11Å; F508-V512 HydrophobicContact CE2-CG2 3.71Å; F508-V512 HydrophobicContact CG-CG2 4.48Å; F508-V512 HydrophobicContact CZ-CG2 3.68Å; F508-V512 WeakPolarHBondContact O-CG2 3.35Å; F508-V512 PolarHBondContact O-N 3.27Å; F508-I540 HydrophobicContact CE2-CG2 4.11Å; F508-V541 HydrophobicContact CE1-CG2 4.34Å; F508-V541 HydrophobicContact CE2-CG2 3.99Å; F508-V541 HydrophobicContact CZ-CG2 3.51Å; F508-F544 HydrophobicContact CB-CD1 4.06Å; F508-F544 HydrophobicContact CB-CE1 3.7Å; F508-F544 HydrophobicContact CB-CZ 4.23Å; F508-F544 HydrophobicContact CD2-CB 4.19Å; F508-F544 AromaticContact CD2-CD1 3.63Å; F508-F544 HydrophobicContact CD2-CD1 3.63Å; F508-F544 HydrophobicContact CD2-CE1 4.14Å; F508-F544 AromaticContact CD2-CG 3.86Å; F508-F544 HydrophobicContact CD2-CG 3.86Å; F508-F544 HydrophobicContact CE2-CB 4.44Å; F508-F544 HydrophobicContact CG-CD1 4.28Å; F508-F544 HydrophobicContact CG-CE1 4.41Å
509	L	94.1	Very high	93.9	Very high	22 Å²	22	66 Å²	66	12%	0.115	34%	0.335	C	S	.	.	H	α-helix	trans	-59.7	-44.3	174.7	-79.4	173.1	0	0	0	111.9	M476 E480 V484 E505 H511 V512 L513	M476-L509 HydrophobicContact CE-CD1 3.52Å; M476-L509 HydrophobicContact SD-CD1 4.32Å; E480-L509 HydrophobicContact CB-CD2 3.93Å; E480-L509 HydrophobicContact CG-CD2 4.32Å; V484-L509 HydrophobicContact CG2-CD1 3.96Å; V484-L509 HydrophobicContact CG2-CD2 3.48Å; V484-L509 VanDerWaalsContact CG2-CD2 3.48Å; V484-L509 HydrophobicContact CG2-CG 3.66Å; E505-L509 HydrophobicContact CG-CD1 3.96Å; E505-L509 VanDerWaalsContact O-CB 3.28Å; E505-L509 WeakPolarHBondContact O-CB 3.34Å; E505-L509 VanDerWaalsContact O-CG 3.28Å; E505-L509 WeakPolarHBondContact O-CG 3.37Å; E505-L509 PolarHBondContact O-N 3.31Å; L509-H511 VanDerWaalsContact C-N 3.31Å; L509-H511 PolarHBondContact O-N 2.85Å; L509-V512 PolarHBondContact O-N 2.83Å; L509-L513 VanDerWaalsContact O-CB 3.25Å; L509-L513 WeakPolarHBondContact O-CB 3.46Å; L509-L513 WeakPolarHBondContact O-CG 3.29Å; L509-L513 PolarHBondContact O-N 2.76Å
510	Q	94.4	Very high	93.8	Very high	142 Å²	142	61.4 Å²	61.4	66%	0.664	31%	0.306	S	S	*	.	H	α-helix	trans	-60.8	-40.6	176	-76.7	179	-14.2	0	0	112.4	K506 A507 F508 S514	K506-Q510 WeakPolarHBondContact O-CG 3.4Å; K506-Q510 PolarHBondContact O-N 3.47Å; K506-Q510 VanDerWaalsContact O-N 3.08Å; A507-Q510 PolarHBondContact O-N 3.22Å; F508-Q510 VanDerWaalsContact C-N 3.35Å; F508-Q510 PolarHBondContact O-N 2.8Å; Q510-S514 WeakPolarHBondContact O-CB 3.44Å; Q510-S514 PolarHBondContact O-N 2.93Å; Q510-S514 PolarHBondContact O-OG 3.43Å
511	H	94.4	Very high	93.7	Very high	37 Å²	37	60 Å²	60	17%	0.171	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-48.8	176.2	176.8	72.3	0	0	0	111.9	A507 F508 L509 L513 S514 Q515 H516 F544	A507-H511 WeakPolarHBondContact O-CB 3.48Å; A507-H511 PolarHBondContact O-N 3.12Å; F508-H511 WeakPolarHBondContact O-CB 3.33Å; F508-H511 PolarHBondContact O-N 3.02Å; L509-H511 VanDerWaalsContact C-N 3.31Å; L509-H511 PolarHBondContact O-N 2.85Å; H511-L513 PolarHBondContact O-N 2.86Å; H511-S514 PolarHBondContact O-N 2.83Å; H511-S514 PolarHBondContact O-OG 3.37Å; H511-S514 VanDerWaalsContact O-OG 3.09Å; H511-Q515 PolarHBondContact CE1-OE1 3.09Å; H511-Q515 PolarHBondContact ND1-OE1 2.88Å; H511-Q515 PolarHBondContact O-N 3.48Å; H511-H516 AromaticContact NE2-CD2 3.95Å; H511-H516 AromaticContact NE2-NE2 3.6Å; H511-F544 HydrophobicContact CB-CD2 3.89Å; H511-F544 HydrophobicContact CB-CE2 3.69Å; H511-F544 AromaticContact CD2-CD2 3.59Å; H511-F544 AromaticContact CG-CD2 3.65Å; H511-F544 AromaticContact CG-CE2 3.93Å
512	V	93.6	Very high	93.5	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.018	32%	0.323	C	S	.	.	H	α-helix	trans	-63.6	-41.5	178.7	177.6	0	0	0	0	111.3	T483 F508 L509 S514 H516 L520 I540	T483-V512 HydrophobicContact CG2-CG1 4.35Å; T483-V512 HydrophobicContact CG2-CG2 4.25Å; F508-V512 HydrophobicContact CD1-CG2 4.48Å; F508-V512 HydrophobicContact CD2-CG2 4.12Å; F508-V512 HydrophobicContact CE1-CG2 4.11Å; F508-V512 HydrophobicContact CE2-CG2 3.71Å; F508-V512 HydrophobicContact CG-CG2 4.48Å; F508-V512 HydrophobicContact CZ-CG2 3.68Å; F508-V512 WeakPolarHBondContact O-CG2 3.35Å; F508-V512 PolarHBondContact O-N 3.27Å; L509-V512 PolarHBondContact O-N 2.83Å; V512-S514 VanDerWaalsContact C-N 3.31Å; V512-S514 PolarHBondContact O-N 2.96Å; V512-H516 HydrophobicContact CG1-CB 4.24Å; V512-H516 CarbonylContact O-C 3.56Å; V512-H516 VanDerWaalsContact O-C 3.29Å; V512-H516 WeakPolarHBondContact O-CA 3.33Å; V512-H516 PolarHBondContact O-N 3.34Å; V512-L520 HydrophobicContact CG1-CD1 3.92Å; V512-L520 HydrophobicContact CG1-CD2 3.89Å; V512-L520 HydrophobicContact CG1-CG 3.86Å; V512-I540 HydrophobicContact CG2-CG2 4.33Å
513	L	92.9	Very high	93.5	Very high	66 Å²	66	60.9 Å²	60.9	35%	0.346	31%	0.311	S	S	.	.	H	α-helix	trans	-68.2	-26.4	178.4	-74.4	169.9	0	0	0	113.7	E480 L509 H511 Q517 L520	E480-L513 HydrophobicContact CG-CD2 4.27Å; L509-L513 VanDerWaalsContact O-CB 3.25Å; L509-L513 WeakPolarHBondContact O-CB 3.46Å; L509-L513 WeakPolarHBondContact O-CG 3.29Å; L509-L513 PolarHBondContact O-N 2.76Å; H511-L513 PolarHBondContact O-N 2.86Å; L513-Q517 WeakPolarHBondContact O-CG 2.91Å; L513-Q517 PolarHBondContact O-NE2 3.38Å; L513-L520 HydrophobicContact CD2-CD1 3.68Å; L513-L520 HydrophobicContact CG-CD1 4.42Å
514	S	93.9	Very high	93.3	Very high	81 Å²	81	61.6 Å²	61.6	57%	0.566	31%	0.309	S	S	*	.	H	α-helix	trans	-92.4	-36.5	-179.5	53.7	0	0	0	0	113.2	Q510 H511 V512	Q510-S514 WeakPolarHBondContact O-CB 3.44Å; Q510-S514 PolarHBondContact O-N 2.93Å; Q510-S514 PolarHBondContact O-OG 3.43Å; H511-S514 PolarHBondContact O-N 2.83Å; H511-S514 PolarHBondContact O-OG 3.37Å; H511-S514 VanDerWaalsContact O-OG 3.09Å; V512-S514 VanDerWaalsContact C-N 3.31Å; V512-S514 PolarHBondContact O-N 2.96Å
515	Q	93.6	Very high	92.9	Very high	128 Å²	128	65.5 Å²	65.5	60%	0.598	34%	0.342	S	S	*	.	H	α-helix	trans	-112.2	-16.9	-170.2	-59.5	-172.3	6.2	0	0	114.2	H511	H511-Q515 PolarHBondContact CE1-OE1 3.09Å; H511-Q515 PolarHBondContact ND1-OE1 2.88Å; H511-Q515 PolarHBondContact O-N 3.48Å
516	H	93.3	Very high	92.6	Very high	53 Å²	53	68.7 Å²	68.7	25%	0.245	36%	0.359	C	S	.	.			trans	-132.2	38	-171	-58.7	-60.2	0	0	0	112.9	H511 V512 D518 L519 L520 I540	H511-H516 AromaticContact NE2-CD2 3.95Å; H511-H516 AromaticContact NE2-NE2 3.6Å; V512-H516 HydrophobicContact CG1-CB 4.24Å; V512-H516 CarbonylContact O-C 3.56Å; V512-H516 VanDerWaalsContact O-C 3.29Å; V512-H516 WeakPolarHBondContact O-CA 3.33Å; V512-H516 PolarHBondContact O-N 3.34Å; H516-D518 VanDerWaalsContact C-N 3.27Å; H516-D518 PolarHBondContact O-N 3.32Å; H516-L519 PolarHBondContact O-N 2.8Å; H516-L520 PolarHBondContact O-N 2.89Å; H516-I540 HydrophobicContact CB-CD1 4.25Å
517	Q	92.8	Very high	92.3	Very high	126 Å²	126	63.1 Å²	63.1	59%	0.589	34%	0.342	S	S	*	.	H	α-helix	trans	-61	-34.3	178.4	-67.8	-169.1	-3.4	0	0	113.2	L513 L519 L520 A521	L513-Q517 WeakPolarHBondContact O-CG 2.91Å; L513-Q517 PolarHBondContact O-NE2 3.38Å; Q517-L519 VanDerWaalsContact C-N 3.28Å; Q517-L519 PolarHBondContact O-N 2.83Å; Q517-L520 PolarHBondContact O-N 3.36Å; Q517-A521 WeakPolarHBondContact O-CB 3.25Å; Q517-A521 PolarHBondContact O-N 2.99Å
518	D	92.4	Very high	92.1	Very high	144 Å²	144	66.7 Å²	66.7	77%	0.77	35%	0.352	S	S	*	.	H	α-helix	trans	-60.9	-39.2	179.5	-63.9	-31.4	0	0	0	111.9	H516 A521 Q522	H516-D518 VanDerWaalsContact C-N 3.27Å; H516-D518 PolarHBondContact O-N 3.32Å; D518-A521 PolarHBondContact O-N 2.98Å; D518-Q522 WeakPolarHBondContact O-CB 3.37Å; D518-Q522 PolarHBondContact O-N 3.21Å
519	L	91.6	Very high	92	Very high	9 Å²	9	67.3 Å²	67.3	5%	0.047	36%	0.355	C	S	.	.	H	α-helix	trans	-67.4	-42.3	177.1	-180	61.5	0	0	0	111.6	H516 Q517 A521 Q522 I523 A533 L537 I540	H516-L519 PolarHBondContact O-N 2.8Å; Q517-L519 VanDerWaalsContact C-N 3.28Å; Q517-L519 PolarHBondContact O-N 2.83Å; L519-A521 VanDerWaalsContact C-N 3.35Å; L519-Q522 PolarHBondContact O-N 2.75Å; L519-I523 HydrophobicContact CD1-CD1 4.38Å; L519-I523 HydrophobicContact CG-CD1 4.22Å; L519-I523 WeakPolarHBondContact O-CG1 3.31Å; L519-I523 PolarHBondContact O-N 3.09Å; L519-A533 HydrophobicContact CD1-CB 3.85Å; L519-L537 HydrophobicContact CD2-CD2 3.62Å; L519-L537 HydrophobicContact CD2-CG 3.9Å; L519-L537 HydrophobicContact CG-CD2 4.39Å; L519-I540 HydrophobicContact CD2-CD1 3.53Å
520	L	92.1	Very high	91.9	Very high	11 Å²	11	67.4 Å²	67.4	6%	0.058	36%	0.358	C	S	.	.	H	α-helix	trans	-63.3	-41.8	174.8	-68.6	-178	0	0	0	111.6	E479 V512 L513 H516 Q517 Q522 I523 R524	E479-L520 HydrophobicContact CB-CD2 4.08Å; E479-L520 HydrophobicContact CG-CB 4.03Å; E479-L520 HydrophobicContact CG-CD2 3.99Å; E479-L520 HydrophobicContact CG-CG 4.5Å; V512-L520 HydrophobicContact CG1-CD1 3.92Å; V512-L520 HydrophobicContact CG1-CD2 3.89Å; V512-L520 HydrophobicContact CG1-CG 3.86Å; L513-L520 HydrophobicContact CD2-CD1 3.68Å; L513-L520 HydrophobicContact CG-CD1 4.42Å; H516-L520 PolarHBondContact O-N 2.89Å; Q517-L520 PolarHBondContact O-N 3.36Å; L520-Q522 VanDerWaalsContact C-N 3.34Å; L520-I523 PolarHBondContact O-N 3.49Å; L520-R524 WeakPolarHBondContact O-CB 3.32Å; L520-R524 PolarHBondContact O-N 2.98Å
521	A	91.5	Very high	91.7	Very high	53 Å²	53	69.2 Å²	69.2	44%	0.438	37%	0.366	S	S	.	.	H	α-helix	trans	-62.9	-41.5	175.6	0	0	0	0	0	111.5	Q517 D518 L519 R524 A525	Q517-A521 WeakPolarHBondContact O-CB 3.25Å; Q517-A521 PolarHBondContact O-N 2.99Å; D518-A521 PolarHBondContact O-N 2.98Å; L519-A521 VanDerWaalsContact C-N 3.35Å; A521-R524 PolarHBondContact O-N 3.29Å; A521-A525 WeakPolarHBondContact O-CB 3.48Å; A521-A525 PolarHBondContact O-N 3.33Å
522	Q	92.1	Very high	91.6	Very high	61 Å²	61	71.6 Å²	71.6	29%	0.285	38%	0.383	S	S	.	.	H	α-helix	trans	-61.6	-49	175.1	-172.1	-176.2	-5.2	0	0	111.6	D518 L519 L520 R524 A525 D526	D518-Q522 WeakPolarHBondContact O-CB 3.37Å; D518-Q522 PolarHBondContact O-N 3.21Å; L519-Q522 PolarHBondContact O-N 2.75Å; L520-Q522 VanDerWaalsContact C-N 3.34Å; Q522-R524 VanDerWaalsContact C-N 3.28Å; Q522-R524 PolarHBondContact O-N 3.09Å; Q522-A525 PolarHBondContact O-N 3.07Å; Q522-D526 WeakPolarHBondContact O-CB 3.33Å; Q522-D526 PolarHBondContact O-N 3.26Å
523	I	91.1	Very high	91.4	Very high	6 Å²	6	71.5 Å²	71.5	3%	0.031	38%	0.383	C	S	.	.	H	α-helix	trans	-60.4	-40.5	178	-67.6	166.4	0	0	0	110.9	A422 E479 L519 L520 G527 L537	A422-I523 HydrophobicContact CB-CG2 4.28Å; E479-I523 HydrophobicContact CB-CB 4.19Å; E479-I523 HydrophobicContact CB-CG2 3.87Å; L519-I523 HydrophobicContact CD1-CD1 4.38Å; L519-I523 HydrophobicContact CG-CD1 4.22Å; L519-I523 WeakPolarHBondContact O-CG1 3.31Å; L519-I523 PolarHBondContact O-N 3.09Å; L520-I523 PolarHBondContact O-N 3.49Å; I523-G527 WeakPolarHBondContact O-CA 3.24Å; I523-G527 PolarHBondContact O-N 2.9Å; I523-L537 HydrophobicContact CD1-CD1 4.15Å
524	R	89.8	Confident	91.4	Very high	167 Å²	167	70.5 Å²	70.5	63%	0.63	38%	0.378	S	S	*	.	H	α-helix	trans	-65.1	-42.1	177.9	-171.6	-168.5	-71.1	170.7	-1.2	112	E479 L520 A521 Q522	E479-R524 IonicContact OE1-CZ 3.09Å; E479-R524 IonicContact OE1-NE 2.8Å; E479-R524 PolarHBondContact OE1-NE 3.03Å; E479-R524 IonicContact OE1-NH2 2.61Å; E479-R524 PolarHBondContact OE1-NH2 2.9Å; E479-R524 IonicContact OE2-NE 3.71Å; L520-R524 WeakPolarHBondContact O-CB 3.32Å; L520-R524 PolarHBondContact O-N 2.98Å; A521-R524 PolarHBondContact O-N 3.29Å; Q522-R524 VanDerWaalsContact C-N 3.28Å; Q522-R524 PolarHBondContact O-N 3.09Å
525	A	88.6	Confident	91.4	Very high	83 Å²	83	69.5 Å²	69.5	69%	0.686	38%	0.375	S	S	*	.	H	α-helix	trans	-74.6	-47.5	-178.3	0	0	0	0	0	112.4	A521 Q522 G527	A521-A525 WeakPolarHBondContact O-CB 3.48Å; A521-A525 PolarHBondContact O-N 3.33Å; Q522-A525 PolarHBondContact O-N 3.07Å; A525-G527 VanDerWaalsContact C-N 3.35Å
526	D	87.6	Confident	91.4	Very high	80 Å²	80	68.1 Å²	68.1	43%	0.428	37%	0.368	S	S	.	.	H	α-helix	trans	-74.7	-28.4	-177	-71.8	-12.9	0	0	0	112.1	Q522 K528	Q522-D526 WeakPolarHBondContact O-CB 3.33Å; Q522-D526 PolarHBondContact O-N 3.26Å; D526-K528 HydrophobicContact CB-CG 4.05Å; D526-K528 PolarHBondContact O-N 3.09Å; D526-K528 VanDerWaalsContact O-N 3.09Å
527	G	87.6	Confident	91.4	Very high	24 Å²	24	65.6 Å²	65.6	25%	0.247	36%	0.357	C	S	.	.	S	Bend	trans	64.8	8.4	-176	0	0	0	0	0	114.2	K421 A422 I523 A525	K421-G527 CarbonylContact C-O 3.29Å; K421-G527 WeakPolarHBondContact CB-O 3.31Å; K421-G527 PolarHBondContact N-O 2.81Å; A422-G527 PolarHBondContact N-O 3.23Å; I523-G527 WeakPolarHBondContact O-CA 3.24Å; I523-G527 PolarHBondContact O-N 2.9Å; A525-G527 VanDerWaalsContact C-N 3.35Å
528	K	92.1	Very high	91.5	Very high	105 Å²	105	64.6 Å²	64.6	46%	0.457	35%	0.35	S	S	.	.	S	Bend	trans	-138	155.9	177.8	62.8	173.5	-179.7	175.2	0	109.6	K421 D526	K421-K528 HydrophobicContact CB-CB 4.11Å; D526-K528 HydrophobicContact CB-CG 4.05Å; D526-K528 PolarHBondContact O-N 3.09Å; D526-K528 VanDerWaalsContact O-N 3.09Å
529	I	91.7	Very high	91.6	Very high	13 Å²	13	63.4 Å²	63.4	7%	0.067	34%	0.34	C	S	.	.			trans	-88.7	111.9	167.7	-53.8	177.3	0	0	0	107	A422 Q425 V426 V482 Y486 A533 D534 L537	A422-I529 HydrophobicContact CB-CG1 4.05Å; Q425-I529 PolarHBondContact NE2-O 3.2Å; V426-I529 HydrophobicContact CG1-CD1 3.41Å; V426-I529 VanDerWaalsContact CG1-CD1 3.41Å; V482-I529 HydrophobicContact CG1-CD1 3.67Å; V482-I529 HydrophobicContact CG1-CG1 4.22Å; Y486-I529 HydrophobicContact CD2-CD1 4.5Å; I529-A533 HydrophobicContact CG2-CB 4.14Å; I529-D534 HydrophobicContact CG2-CB 3.88Å; I529-L537 HydrophobicContact CD1-CD1 4.45Å; I529-L537 HydrophobicContact CG2-CD1 4.24Å
530	S	92	Very high	91.8	Very high	24 Å²	24	63.9 Å²	63.9	17%	0.168	34%	0.342	C	S	.	.			trans	-72.9	163.3	170.5	63.2	0	0	0	0	110.7	T532 A533 D534	S530-T532 PolarHBondContact O-N 2.7Å; S530-T532 PolarHBondContact OG-OG1 2.96Å; S530-A533 PolarHBondContact O-N 3.3Å; S530-A533 VanDerWaalsContact O-N 3.15Å; S530-A533 WeakPolarHBondContact OG-CB 3.37Å; S530-A533 PolarHBondContact OG-N 3.46Å; S530-A533 VanDerWaalsContact OG-N 3.13Å; S530-D534 PolarHBondContact O-N 3.2Å
531	E	91.2	Very high	91.9	Very high	179 Å²	179	63.4 Å²	63.4	84%	0.836	34%	0.34	S	S	*	.	H	α-helix	trans	-59.6	-36.3	175.5	-65.3	178.2	179	0	0	112.1	D534 A535	E531-D534 PolarHBondContact O-N 3.35Å; E531-A535 PolarHBondContact O-N 3.15Å
532	T	91.3	Very high	92	Very high	88 Å²	88	64.5 Å²	64.5	54%	0.54	34%	0.338	S	S	.	.	H	α-helix	trans	-64	-44.9	174.5	52.2	0	0	0	0	112	S530 A535 Q536	S530-T532 PolarHBondContact O-N 2.7Å; S530-T532 PolarHBondContact OG-OG1 2.96Å; T532-A535 PolarHBondContact O-N 3.45Å; T532-Q536 WeakPolarHBondContact O-CG 3.25Å; T532-Q536 PolarHBondContact O-N 3.36Å; T532-Q536 VanDerWaalsContact O-N 3.07Å
533	A	91	Very high	92	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.008	35%	0.347	C	S	.	.	H	α-helix	trans	-67.6	-37	177.3	0	0	0	0	0	111.8	L519 I529 S530 Q536 L537	L519-A533 HydrophobicContact CD1-CB 3.85Å; I529-A533 HydrophobicContact CG2-CB 4.14Å; S530-A533 PolarHBondContact O-N 3.3Å; S530-A533 VanDerWaalsContact O-N 3.15Å; S530-A533 WeakPolarHBondContact OG-CB 3.37Å; S530-A533 PolarHBondContact OG-N 3.46Å; S530-A533 VanDerWaalsContact OG-N 3.13Å; A533-Q536 PolarHBondContact O-N 3.15Å; A533-L537 VanDerWaalsContact O-CB 3.31Å; A533-L537 WeakPolarHBondContact O-CB 3.39Å; A533-L537 VanDerWaalsContact O-CG 3.27Å; A533-L537 WeakPolarHBondContact O-CG 3.31Å; A533-L537 PolarHBondContact O-N 2.87Å
534	D	93.1	Very high	92.2	Very high	44 Å²	44	65.9 Å²	65.9	24%	0.235	35%	0.349	C	S	.	.	H	α-helix	trans	-63	-46.6	175.7	-175.5	88.5	0	0	0	111.3	Y486 R490 I529 S530 E531 Q536 L537 K538	Y486-D534 WeakPolarHBondContact CE2-OD1 3.29Å; Y486-D534 PolarHBondContact OH-O 2.82Å; Y486-D534 PolarHBondContact OH-OD1 2.82Å; R490-D534 IonicContact NH2-OD1 3.8Å; R490-D534 PolarHBondContact NH2-OD1 3.12Å; R490-D534 VanDerWaalsContact NH2-OD1 3.12Å; I529-D534 HydrophobicContact CG2-CB 3.88Å; S530-D534 PolarHBondContact O-N 3.2Å; E531-D534 PolarHBondContact O-N 3.35Å; D534-Q536 PolarHBondContact O-N 2.94Å; D534-L537 PolarHBondContact O-N 3.32Å; D534-K538 WeakPolarHBondContact O-CB 3.5Å; D534-K538 PolarHBondContact O-N 3.07Å
535	A	93.8	Very high	92.3	Very high	61 Å²	61	59.7 Å²	59.7	50%	0.504	33%	0.329	S	S	.	.	H	α-helix	trans	-62.3	-42.2	176.9	0	0	0	0	0	112.3	E531 T532 Q539	E531-A535 PolarHBondContact O-N 3.15Å; T532-A535 PolarHBondContact O-N 3.45Å; A535-Q539 PolarHBondContact O-N 3.2Å; A535-Q539 VanDerWaalsContact O-N 3.11Å
536	Q	93.5	Very high	92.4	Very high	98 Å²	98	60.2 Å²	60.2	46%	0.458	33%	0.333	S	S	.	.	H	α-helix	trans	-65	-48	175.8	-74.1	176.7	-13.1	0	0	112	T532 A533 D534 K538 Q539 I540	T532-Q536 WeakPolarHBondContact O-CG 3.25Å; T532-Q536 PolarHBondContact O-N 3.36Å; T532-Q536 VanDerWaalsContact O-N 3.07Å; A533-Q536 PolarHBondContact O-N 3.15Å; D534-Q536 PolarHBondContact O-N 2.94Å; Q536-K538 VanDerWaalsContact C-N 3.31Å; Q536-K538 PolarHBondContact O-N 3.16Å; Q536-Q539 PolarHBondContact O-N 3.39Å; Q536-Q539 VanDerWaalsContact O-N 3.16Å; Q536-I540 WeakPolarHBondContact O-CD1 3.47Å; Q536-I540 VanDerWaalsContact O-CG1 3.26Å; Q536-I540 WeakPolarHBondContact O-CG1 3.43Å; Q536-I540 PolarHBondContact O-N 3.33Å
537	L	93.3	Very high	92.5	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-56.1	-46.4	176.8	-81	172.1	0	0	0	111.3	T483 Y486 L519 I523 I529 A533 D534 Q539 I540 V541	T483-L537 HydrophobicContact CG2-CD2 3.73Å; Y486-L537 HydrophobicContact CD1-CB 4.35Å; Y486-L537 HydrophobicContact CE1-CB 4.03Å; L519-L537 HydrophobicContact CD2-CD2 3.62Å; L519-L537 HydrophobicContact CD2-CG 3.9Å; L519-L537 HydrophobicContact CG-CD2 4.39Å; I523-L537 HydrophobicContact CD1-CD1 4.15Å; I529-L537 HydrophobicContact CD1-CD1 4.45Å; I529-L537 HydrophobicContact CG2-CD1 4.24Å; A533-L537 VanDerWaalsContact O-CB 3.31Å; A533-L537 WeakPolarHBondContact O-CB 3.39Å; A533-L537 VanDerWaalsContact O-CG 3.27Å; A533-L537 WeakPolarHBondContact O-CG 3.31Å; A533-L537 PolarHBondContact O-N 2.87Å; D534-L537 PolarHBondContact O-N 3.32Å; L537-Q539 VanDerWaalsContact C-N 3.34Å; L537-Q539 PolarHBondContact O-N 3.06Å; L537-I540 PolarHBondContact O-N 3.49Å; L537-V541 VanDerWaalsContact O-CG2 3.26Å; L537-V541 WeakPolarHBondContact O-CG2 3.39Å; L537-V541 PolarHBondContact O-N 3.06Å
538	K	94.7	Very high	92.5	Very high	105 Å²	105	61.6 Å²	61.6	46%	0.457	34%	0.339	S	S	.	.	H	α-helix	trans	-58.2	-46.5	177.2	-176.2	179.1	178.1	-177.4	0	111.8	D534 Q536 V541 L542	D534-K538 WeakPolarHBondContact O-CB 3.5Å; D534-K538 PolarHBondContact O-N 3.07Å; Q536-K538 VanDerWaalsContact C-N 3.31Å; Q536-K538 PolarHBondContact O-N 3.16Å; K538-V541 PolarHBondContact O-N 2.89Å; K538-L542 HydrophobicContact CG-CD1 4.04Å; K538-L542 WeakPolarHBondContact O-CB 3.37Å; K538-L542 VanDerWaalsContact O-CG 3.3Å; K538-L542 WeakPolarHBondContact O-CG 3.41Å; K538-L542 PolarHBondContact O-N 3.44Å
539	Q	94.6	Very high	91.3	Very high	119 Å²	119	66.5 Å²	66.5	56%	0.556	36%	0.364	S	S	*	.	H	α-helix	trans	-63.3	-43.1	179.5	-173.6	59.9	35.7	0	0	111.6	A535 Q536 L537 L542 T543	A535-Q539 PolarHBondContact O-N 3.2Å; A535-Q539 VanDerWaalsContact O-N 3.11Å; Q536-Q539 PolarHBondContact O-N 3.39Å; Q536-Q539 VanDerWaalsContact O-N 3.16Å; L537-Q539 VanDerWaalsContact C-N 3.34Å; L537-Q539 PolarHBondContact O-N 3.06Å; Q539-L542 PolarHBondContact O-N 3.17Å; Q539-T543 PolarHBondContact NE2-OG1 3.33Å; Q539-T543 VanDerWaalsContact NE2-OG1 3.15Å; Q539-T543 VanDerWaalsContact O-CB 3.3Å; Q539-T543 WeakPolarHBondContact O-CB 3.32Å; Q539-T543 PolarHBondContact O-N 2.95Å; Q539-T543 PolarHBondContact O-OG1 2.72Å
540	I	94.3	Very high	91.3	Very high	19 Å²	19	69.2 Å²	69.2	10%	0.097	38%	0.378	C	S	.	.	H	α-helix	trans	-62.7	-48.4	179	-66.9	163.1	0	0	0	110.5	F508 V512 H516 L519 Q536 L537 L542 T543 F544	F508-I540 HydrophobicContact CE2-CG2 4.11Å; V512-I540 HydrophobicContact CG2-CG2 4.33Å; H516-I540 HydrophobicContact CB-CD1 4.25Å; L519-I540 HydrophobicContact CD2-CD1 3.53Å; Q536-I540 WeakPolarHBondContact O-CD1 3.47Å; Q536-I540 VanDerWaalsContact O-CG1 3.26Å; Q536-I540 WeakPolarHBondContact O-CG1 3.43Å; Q536-I540 PolarHBondContact O-N 3.33Å; L537-I540 PolarHBondContact O-N 3.49Å; I540-L542 PolarHBondContact O-N 2.91Å; I540-T543 PolarHBondContact O-N 3.06Å; I540-F544 VanDerWaalsContact O-CB 3.3Å; I540-F544 WeakPolarHBondContact O-CB 3.13Å; I540-F544 PolarHBondContact O-N 3.33Å
541	V	94.3	Very high	91.3	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-59.2	-48	178.8	172.1	0	0	0	0	111	Y486 A487 H492 F508 L537 K538 F544 L545	Y486-V541 HydrophobicContact CD1-CG2 4.44Å; A487-V541 HydrophobicContact CB-CG1 4.18Å; A487-V541 HydrophobicContact CB-CG2 4.3Å; H492-V541 HydrophobicContact CB-CG1 3.67Å; F508-V541 HydrophobicContact CE1-CG2 4.34Å; F508-V541 HydrophobicContact CE2-CG2 3.99Å; F508-V541 HydrophobicContact CZ-CG2 3.51Å; L537-V541 VanDerWaalsContact O-CG2 3.26Å; L537-V541 WeakPolarHBondContact O-CG2 3.39Å; L537-V541 PolarHBondContact O-N 3.06Å; K538-V541 PolarHBondContact O-N 2.89Å; V541-F544 PolarHBondContact O-N 3.4Å; V541-L545 HydrophobicContact CG1-CD1 3.75Å; V541-L545 HydrophobicContact CG1-CG 4.38Å; V541-L545 WeakPolarHBondContact O-CB 3.45Å; V541-L545 VanDerWaalsContact O-CG 3.24Å; V541-L545 WeakPolarHBondContact O-CG 3.38Å; V541-L545 PolarHBondContact O-N 3.02Å
542	L	93.5	Very high	91.3	Very high	77 Å²	77	65.6 Å²	65.6	40%	0.403	37%	0.365	S	S	.	.	H	α-helix	trans	-66.5	-41.2	-178.7	-69.4	175.8	0	0	0	112.6	K538 Q539 I540 L545 A546	K538-L542 HydrophobicContact CG-CD1 4.04Å; K538-L542 WeakPolarHBondContact O-CB 3.37Å; K538-L542 VanDerWaalsContact O-CG 3.3Å; K538-L542 WeakPolarHBondContact O-CG 3.41Å; K538-L542 PolarHBondContact O-N 3.44Å; Q539-L542 PolarHBondContact O-N 3.17Å; I540-L542 PolarHBondContact O-N 2.91Å; L542-L545 PolarHBondContact O-N 2.79Å; L542-A546 PolarHBondContact O-N 3.44Å; L542-A546 VanDerWaalsContact O-N 3.08Å
543	T	93.8	Very high	91.3	Very high	76 Å²	76	64.2 Å²	64.2	47%	0.466	35%	0.354	S	S	.	.	H	α-helix	trans	-65	-44.6	178.5	-53.8	0	0	0	0	110.6	Q539 I540 A546 S547	Q539-T543 PolarHBondContact NE2-OG1 3.33Å; Q539-T543 VanDerWaalsContact NE2-OG1 3.15Å; Q539-T543 VanDerWaalsContact O-CB 3.3Å; Q539-T543 WeakPolarHBondContact O-CB 3.32Å; Q539-T543 PolarHBondContact O-N 2.95Å; Q539-T543 PolarHBondContact O-OG1 2.72Å; I540-T543 PolarHBondContact O-N 3.06Å; T543-A546 PolarHBondContact O-N 3.3Å; T543-S547 PolarHBondContact O-N 3.15Å
544	F	94.2	Very high	91.3	Very high	19 Å²	19	68.2 Å²	68.2	8%	0.083	38%	0.376	C	S	.	.	H	α-helix	trans	-64.6	-44.4	177.7	-175.1	-96.5	0	0	0	111.7	F504 A507 F508 H511 I540 V541 A546 S547 F548	F504-F544 HydrophobicContact CD2-CD1 4.15Å; F504-F544 AromaticContact CD2-CE1 3.85Å; F504-F544 HydrophobicContact CD2-CE1 3.85Å; F504-F544 AromaticContact CE2-CD1 3.62Å; F504-F544 HydrophobicContact CE2-CD1 3.62Å; F504-F544 AromaticContact CE2-CE1 3.78Å; F504-F544 HydrophobicContact CE2-CE1 3.78Å; F504-F544 HydrophobicContact CZ-CD1 4.45Å; A507-F544 HydrophobicContact CB-CE1 4.49Å; A507-F544 HydrophobicContact CB-CZ 3.78Å; F508-F544 HydrophobicContact CB-CD1 4.06Å; F508-F544 HydrophobicContact CB-CE1 3.7Å; F508-F544 HydrophobicContact CB-CZ 4.23Å; F508-F544 HydrophobicContact CD2-CB 4.19Å; F508-F544 AromaticContact CD2-CD1 3.63Å; F508-F544 HydrophobicContact CD2-CD1 3.63Å; F508-F544 HydrophobicContact CD2-CE1 4.14Å; F508-F544 AromaticContact CD2-CG 3.86Å; F508-F544 HydrophobicContact CD2-CG 3.86Å; F508-F544 HydrophobicContact CE2-CB 4.44Å; F508-F544 HydrophobicContact CG-CD1 4.28Å; F508-F544 HydrophobicContact CG-CE1 4.41Å; H511-F544 HydrophobicContact CB-CD2 3.89Å; H511-F544 HydrophobicContact CB-CE2 3.69Å; H511-F544 AromaticContact CD2-CD2 3.59Å; H511-F544 AromaticContact CG-CD2 3.65Å; H511-F544 AromaticContact CG-CE2 3.93Å; I540-F544 VanDerWaalsContact O-CB 3.3Å; I540-F544 WeakPolarHBondContact O-CB 3.13Å; I540-F544 PolarHBondContact O-N 3.33Å; V541-F544 PolarHBondContact O-N 3.4Å; F544-A546 VanDerWaalsContact C-N 3.26Å; F544-A546 PolarHBondContact O-N 3.18Å; F544-S547 CarbonylContact O-C 3.34Å; F544-S547 PolarHBondContact O-N 3.01Å; F544-S547 PolarHBondContact O-OG 3.39Å; F544-F548 HydrophobicContact CD1-CB 4.34Å; F544-F548 HydrophobicContact CE1-CB 4.09Å; F544-F548 AromaticContact CE1-CD2 3.72Å; F544-F548 HydrophobicContact CE1-CD2 3.72Å; F544-F548 HydrophobicContact CE1-CG 4.06Å; F544-F548 AromaticContact CZ-CD2 3.88Å; F544-F548 HydrophobicContact CZ-CD2 3.88Å; F544-F548 WeakPolarHBondContact O-CB 3.28Å; F544-F548 PolarHBondContact O-N 2.77Å
545	L	92.3	Very high	91.2	Very high	38 Å²	38	69.8 Å²	69.8	20%	0.199	39%	0.385	C	S	.	.	H	α-helix	trans	-59.6	-34.2	176.4	-77.9	170.8	0	0	0	113.1	H492 L493 M496 F504 V541 L542 S547 F548	H492-L545 HydrophobicContact CB-CD1 3.92Å; H492-L545 WeakPolarHBondContact O-CD1 3.17Å; L493-L545 HydrophobicContact CD2-CD2 4.11Å; M496-L545 HydrophobicContact CE-CD2 3.43Å; M496-L545 VanDerWaalsContact CE-CD2 3.43Å; F504-L545 HydrophobicContact CD2-CD2 3.88Å; F504-L545 HydrophobicContact CE2-CD2 3.39Å; F504-L545 HydrophobicContact CE2-CG 3.95Å; F504-L545 HydrophobicContact CZ-CD2 4.12Å; F504-L545 HydrophobicContact CZ-CG 4.5Å; V541-L545 HydrophobicContact CG1-CD1 3.75Å; V541-L545 HydrophobicContact CG1-CG 4.38Å; V541-L545 WeakPolarHBondContact O-CB 3.45Å; V541-L545 VanDerWaalsContact O-CG 3.24Å; V541-L545 WeakPolarHBondContact O-CG 3.38Å; V541-L545 PolarHBondContact O-N 3.02Å; L542-L545 PolarHBondContact O-N 2.79Å; L545-S547 PolarHBondContact O-N 3.4Å; L545-F548 PolarHBondContact O-N 2.91Å
546	A	90.6	Very high	91	Very high	93 Å²	93	70.4 Å²	70.4	77%	0.769	38%	0.377	S	S	*	.	H	α-helix	trans	-67.5	-26.4	176.1	0	0	0	0	0	113	L542 T543 F544	L542-A546 PolarHBondContact O-N 3.44Å; L542-A546 VanDerWaalsContact O-N 3.08Å; T543-A546 PolarHBondContact O-N 3.3Å; F544-A546 VanDerWaalsContact C-N 3.26Å; F544-A546 PolarHBondContact O-N 3.18Å
547	S	89.1	Confident	90.8	Very high	87 Å²	87	68.3 Å²	68.3	61%	0.608	37%	0.371	S	S	*	.	H	α-helix	trans	-96.7	-7.8	177.8	64.4	0	0	0	0	114.4	T543 F544 L545	T543-S547 PolarHBondContact O-N 3.15Å; F544-S547 CarbonylContact O-C 3.34Å; F544-S547 PolarHBondContact O-N 3.01Å; F544-S547 PolarHBondContact O-OG 3.39Å; L545-S547 PolarHBondContact O-N 3.4Å
548	F	88.1	Confident	90.6	Very high	47 Å²	47	73.9 Å²	73.9	21%	0.206	40%	0.401	C	S	.	.			trans	-95.9	116.7	-173.1	-176.1	-95.6	0	0	0	110.8	M496 K503 F504 A507 F544 L545	M496-F548 HydrophobicContact CE-CD1 3.75Å; M496-F548 HydrophobicContact CE-CE1 3.92Å; M496-F548 HydrophobicContact SD-CE1 4.39Å; K503-F548 HydrophobicContact CB-CZ 4.32Å; F504-F548 HydrophobicContact CB-CD1 4.32Å; F504-F548 HydrophobicContact CB-CE1 3.64Å; F504-F548 HydrophobicContact CB-CE2 4.37Å; F504-F548 HydrophobicContact CB-CZ 3.69Å; F504-F548 AromaticContact CD2-CD1 3.97Å; F504-F548 HydrophobicContact CD2-CD1 3.97Å; F504-F548 HydrophobicContact CD2-CE1 4.16Å; F504-F548 HydrophobicContact CD2-CG 4.16Å; F504-F548 HydrophobicContact CG-CE1 4.42Å; A507-F548 HydrophobicContact CB-CD2 4.34Å; A507-F548 HydrophobicContact CB-CE2 3.87Å; F544-F548 HydrophobicContact CD1-CB 4.34Å; F544-F548 HydrophobicContact CE1-CB 4.09Å; F544-F548 AromaticContact CE1-CD2 3.72Å; F544-F548 HydrophobicContact CE1-CD2 3.72Å; F544-F548 HydrophobicContact CE1-CG 4.06Å; F544-F548 AromaticContact CZ-CD2 3.88Å; F544-F548 HydrophobicContact CZ-CD2 3.88Å; F544-F548 WeakPolarHBondContact O-CB 3.28Å; F544-F548 PolarHBondContact O-N 2.77Å; L545-F548 PolarHBondContact O-N 2.91Å
549	E	68	Low	90.2	Very high	207 Å²	207	71.1 Å²	71.1	97%	0.967	40%	0.396	S	S	*	.			trans	-87.3	0	179.7	-69.3	-171.8	165.1	0	0	114.7	K500	K500-E549 PolarHBondContact NZ-OXT 3.45Å

Retrieved 549 of 549 residues in 141 ms (Link to these results)

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