A0A087X4P5_POEFO Loading...

Methionine--tRNA ligase, mitochondrial

AlphaFold DB , UniProt , Accession A0A087X4P5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 594 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	32.6	Very low	27.4	Very low	232 Å²	232	164.2 Å²	164.2	100%	1.143	85%	0.85	S	S	*	*				0	114.8	0	-81.3	170.5	-176.5	0	0	108.3
2	K	24.3	Very low	27.8	Very low	214 Å²	214	168.8 Å²	168.8	93%	0.93	85%	0.848	S	S	*	*			trans	-87.3	128.7	176.3	-73.1	177	173.9	178.6	0	108.1
3	F	23.6	Very low	27.8	Very low	186 Å²	186	171 Å²	171	82%	0.816	85%	0.849	S	S	*	*			trans	-109	136.2	166.9	-87.7	-83.5	0	0	0	109.5
4	P	29.4	Very low	27.9	Very low	122 Å²	122	166 Å²	166	79%	0.792	83%	0.833	S	S	*	*			trans	-91.3	140.2	-171	34.9	-31.1	0	0	0	112.3
5	F	27.2	Very low	28.2	Very low	196 Å²	196	167.7 Å²	167.7	86%	0.86	83%	0.833	S	S	*	*			trans	-72.3	119.4	160.9	-89.9	-102.9	0	0	0	109.2
6	H	24.7	Very low	28.2	Very low	186 Å²	186	167.4 Å²	167.4	86%	0.861	83%	0.829	S	S	*	*			trans	174.5	101.3	145.8	-92.1	-41	0	0	0	110.6
7	T	27.7	Very low	28.1	Very low	140 Å²	140	170.8 Å²	170.8	86%	0.859	83%	0.83	S	S	*	*			trans	175.4	84.9	132.5	27.6	0	0	0	0	110.7
8	V	29.6	Very low	28	Very low	143 Å²	143	171.9 Å²	171.9	87%	0.867	83%	0.83	S	S	*	*			trans	-138.9	72.7	159.5	-173.7	0	0	0	0	107.3
9	A	28.8	Very low	28.1	Very low	90 Å²	90	171.9 Å²	171.9	74%	0.744	83%	0.829	S	S	*	*			trans	-145.4	8.8	178.4	0	0	0	0	0	114.3
10	R	26.4	Very low	28.2	Very low	242 Å²	242	172.5 Å²	172.5	91%	0.913	83%	0.83	S	S	*	*	S	Bend	trans	-111.7	-0.9	-177.3	-78.8	-173	176.4	-170.9	-0.2	116.1
11	G	27.4	Very low	28.2	Very low	55 Å²	55	173.9 Å²	173.9	57%	0.567	83%	0.833	S	S	*	*	S	Bend	trans	-90.3	-16.1	176.5	0	0	0	0	0	115.8
12	W	32.3	Very low	28.6	Very low	219 Å²	219	166.5 Å²	166.5	83%	0.83	82%	0.816	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-13.7	-166.2	-78.8	39.7	0	0	0	114.9
13	K	28	Very low	28.8	Very low	198 Å²	198	163.1 Å²	163.1	86%	0.861	81%	0.813	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-11.4	-179.6	-79.6	-173.8	175.7	-178.7	0	114.5
14	T	29.2	Very low	29.1	Very low	101 Å²	101	159.8 Å²	159.8	62%	0.62	80%	0.803	S	S	*	*	S	Bend	trans	-89.3	-17.6	-178	-9.1	0	0	0	0	113.1
15	F	31.2	Very low	29.3	Very low	191 Å²	191	157.3 Å²	157.3	84%	0.838	79%	0.788	S	S	*	*	G	3₁₀ helix	trans	-79	-26.1	-179.4	-134.7	-95.6	0	0	0	113.4	R17	F15-R17 VanDerWaalsContact C-N 3.34Å; F15-R17 PolarHBondContact O-N 2.97Å
16	H	28.2	Very low	29.6	Very low	164 Å²	164	155.8 Å²	155.8	76%	0.759	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-82.4	-2.6	-179.6	-95.9	-55.6	0	0	0	115.2
17	R	26.4	Very low	30.2	Very low	224 Å²	224	152.6 Å²	152.6	85%	0.845	77%	0.773	S	S	*	*	G	3₁₀ helix	trans	-102.7	0.1	-175.8	-133.7	177.1	-170.5	-177.6	2.1	115.2	F15	F15-R17 VanDerWaalsContact C-N 3.34Å; F15-R17 PolarHBondContact O-N 2.97Å
18	F	27.5	Very low	30.5	Very low	191 Å²	191	151.6 Å²	151.6	84%	0.838	76%	0.759	S	S	*	*	S	Bend	trans	-103.8	6.6	179	-100.7	-84	0	0	0	114.9
19	Q	29.5	Very low	30.8	Very low	173 Å²	173	152.9 Å²	152.9	81%	0.808	75%	0.748	S	S	*	*	S	Bend	trans	-96	15.4	178.2	-112.5	-172.3	-6.2	0	0	115
20	Q	30	Very low	31.3	Very low	182 Å²	182	154.9 Å²	154.9	85%	0.85	75%	0.746	S	S	*	*	S	Bend	trans	-126.2	73.4	170.2	-79.2	-171.7	-11.5	0	0	110.4
21	K	28.8	Very low	32.3	Very low	203 Å²	203	148.5 Å²	148.5	88%	0.883	72%	0.721	S	S	*	*	S	Bend	trans	-170.2	102.8	151.1	-104.5	167.1	-171.4	-170.7	0	107.1	V23	K21-V23 PolarHBondContact O-N 3.16Å
22	G	41.5	Very low	32.2	Very low	77 Å²	77	150.2 Å²	150.2	79%	0.794	73%	0.725	S	S	*	*			trans	-69.5	120.2	180	0	0	0	0	0	111.3
23	V	28.1	Very low	32.1	Very low	142 Å²	142	144.8 Å²	144.8	86%	0.861	72%	0.72	S	S	*	*			trans	-146.6	102.8	142.1	-177.4	0	0	0	0	105	K21 S25	K21-V23 PolarHBondContact O-N 3.16Å; V23-S25 PolarHBondContact O-N 3.16Å
24	L	29.5	Very low	32.1	Very low	117 Å²	117	140.6 Å²	140.6	61%	0.613	71%	0.713	S	S	*	*			trans	-73.3	122.8	174	-69.8	164.8	0	0	0	108.1
25	S	34.4	Very low	32.4	Very low	69 Å²	69	143.3 Å²	143.3	48%	0.483	72%	0.723	S	S	.	*			trans	-67	151.6	168.3	59.6	0	0	0	0	110.3	V23 D27 Q28	V23-S25 PolarHBondContact O-N 3.16Å; S25-D27 PolarHBondContact O-N 3.38Å; S25-D27 VanDerWaalsContact O-N 3.1Å; S25-Q28 PolarHBondContact O-N 3.5Å; S25-Q28 VanDerWaalsContact O-N 3.16Å
26	E	31.6	Very low	32.2	Very low	164 Å²	164	143.5 Å²	143.5	77%	0.766	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-56.3	-26.7	-177.3	-78.4	178	142.8	0	0	113.6	Q28 R29	E26-Q28 VanDerWaalsContact C-N 3.31Å; E26-Q28 PolarHBondContact O-N 3.1Å; E26-R29 PolarHBondContact O-N 3.16Å
27	D	39	Very low	32.3	Very low	120 Å²	120	140.7 Å²	140.7	64%	0.642	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-65.6	-24.7	178.7	-74.5	-30.7	0	0	0	114.8	S25	S25-D27 PolarHBondContact O-N 3.38Å; S25-D27 VanDerWaalsContact O-N 3.1Å
28	Q	34.3	Very low	32.6	Very low	118 Å²	118	133.2 Å²	133.2	55%	0.551	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-82.5	-13	179.8	-76.5	-175.6	-13.4	0	0	113.6	S25 E26	S25-Q28 PolarHBondContact O-N 3.5Å; S25-Q28 VanDerWaalsContact O-N 3.16Å; E26-Q28 VanDerWaalsContact C-N 3.31Å; E26-Q28 PolarHBondContact O-N 3.1Å
29	R	35.6	Very low	32.6	Very low	170 Å²	170	135.4 Å²	135.4	64%	0.642	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-74.1	-27.9	-179.8	-68.8	-172.4	-162.6	-174.9	7.8	113.1	E26 W31 S32	E26-R29 PolarHBondContact O-N 3.16Å; R29-W31 PolarHBondContact O-N 3.39Å; R29-W31 VanDerWaalsContact O-N 3.16Å; R29-S32 PolarHBondContact O-OG 3.3Å
30	L	39.1	Very low	33	Very low	133 Å²	133	129.5 Å²	129.5	70%	0.696	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-62.8	-19.1	178.8	-79.1	163.5	0	0	0	113.7
31	W	46	Very low	33.4	Very low	107 Å²	107	123.3 Å²	123.3	41%	0.405	66%	0.661	S	S	.	*	G	3₁₀ helix	trans	-116.1	11.8	-169.4	-53.6	103.7	0	0	0	114	R29 S33 L161 F220	R29-W31 PolarHBondContact O-N 3.39Å; R29-W31 VanDerWaalsContact O-N 3.16Å; W31-S33 VanDerWaalsContact C-N 3.34Å; W31-S33 PolarHBondContact O-N 3.3Å; W31-L161 HydrophobicContact CH2-CD2 3.92Å; W31-L161 HydrophobicContact CZ2-CD2 4.03Å; W31-F220 AromaticContact CH2-CE1 3.72Å; W31-F220 HydrophobicContact CH2-CE1 3.72Å; W31-F220 AromaticContact CH2-CZ 3.61Å; W31-F220 HydrophobicContact CH2-CZ 3.61Å; W31-F220 HydrophobicContact CZ2-CE1 4.41Å; W31-F220 HydrophobicContact CZ2-CZ 4.18Å; W31-F220 HydrophobicContact CZ3-CE1 4.24Å
32	S	26.4	Very low	33.7	Very low	92 Å²	92	117.7 Å²	117.7	64%	0.643	65%	0.647	S	S	*	*			trans	-85.6	7	-172.6	59.7	0	0	0	0	115.6	R29 P34	R29-S32 PolarHBondContact O-OG 3.3Å; S32-P34 WeakPolarHBondContact O-CD 3.43Å
33	S	29.9	Very low	33.4	Very low	104 Å²	104	121.1 Å²	121.1	73%	0.727	64%	0.642	S	S	*	*	S	Bend	trans	-80.8	119.4	170.2	-72.8	0	0	0	0	109.7	W31 L35	W31-S33 VanDerWaalsContact C-N 3.34Å; W31-S33 PolarHBondContact O-N 3.3Å; S33-L35 PolarHBondContact O-N 3.39Å; S33-L35 VanDerWaalsContact O-N 3.08Å
34	P	29	Very low	34.2	Very low	110 Å²	110	116 Å²	116	71%	0.714	61%	0.61	S	S	*	*			trans	-58.7	122.5	170.7	24.3	-30.5	0	0	0	107.2	S32 K36	S32-P34 WeakPolarHBondContact O-CD 3.43Å; P34-K36 PolarHBondContact O-N 2.82Å
35	L	34	Very low	34.7	Very low	159 Å²	159	115.7 Å²	115.7	83%	0.832	62%	0.616	S	S	*	*			trans	-48.2	98.9	164.6	-79.9	153.4	0	0	0	106.4	S33 C37	S33-L35 PolarHBondContact O-N 3.39Å; S33-L35 VanDerWaalsContact O-N 3.08Å; L35-C37 PolarHBondContact O-N 2.73Å
36	K	28	Very low	35.3	Very low	195 Å²	195	121 Å²	121	85%	0.848	63%	0.631	S	S	*	*			trans	-64.3	98.5	170.7	-82.6	-178.9	177.8	175.3	0	104.3	P34 S38	P34-K36 PolarHBondContact O-N 2.82Å; K36-S38 PolarHBondContact O-N 2.82Å
37	C	30.2	Very low	36.9	Very low	104 Å²	104	117.9 Å²	117.9	70%	0.703	62%	0.616	S	S	*	*			trans	-52.6	101.4	161.2	-168.2	0	0	0	0	105.2	L35 R39 S41	L35-C37 PolarHBondContact O-N 2.73Å; C37-R39 PolarHBondContact O-N 3.08Å; C37-S41 PolarHBondContact SG-OG 2.81Å
38	S	32.2	Very low	39.2	Very low	68 Å²	68	118.1 Å²	118.1	48%	0.476	61%	0.612	S	S	.	*			trans	-60.2	136.5	-179.7	56.2	0	0	0	0	106.7	K36 S40 S41	K36-S38 PolarHBondContact O-N 2.82Å; S38-S40 PolarHBondContact O-N 2.82Å; S38-S40 PolarHBondContact OG-OG 3.45Å; S38-S41 PolarHBondContact O-N 3.41Å; S38-S41 VanDerWaalsContact O-N 3.15Å; S38-S41 PolarHBondContact O-OG 3.19Å
39	R	28.5	Very low	42.2	Very low	237 Å²	237	113 Å²	113	89%	0.894	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	2.3	176.4	-75.1	176.9	171	178	-3.9	113.6	C37 S42	C37-R39 PolarHBondContact O-N 3.08Å; R39-S42 PolarHBondContact O-OG 3.15Å
40	S	37.2	Very low	45.1	Very low	48 Å²	48	105.5 Å²	105.5	34%	0.336	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.9	-20.8	173.8	71.4	0	0	0	0	113.8	S38 S42 Q43 L44	S38-S40 PolarHBondContact O-N 2.82Å; S38-S40 PolarHBondContact OG-OG 3.45Å; S40-S42 PolarHBondContact O-N 3.49Å; S40-Q43 PolarHBondContact O-N 2.88Å; S40-L44 PolarHBondContact O-N 2.91Å
41	S	38	Very low	47.9	Very low	52 Å²	52	99.1 Å²	99.1	36%	0.364	53%	0.527	S	S	.	.	H	α-helix	trans	-65.1	-36	-178.3	69.1	0	0	0	0	113.1	C37 S38 Q43 L44 C45	C37-S41 PolarHBondContact SG-OG 2.81Å; S38-S41 PolarHBondContact O-N 3.41Å; S38-S41 VanDerWaalsContact O-N 3.15Å; S38-S41 PolarHBondContact O-OG 3.19Å; S41-Q43 VanDerWaalsContact C-N 3.26Å; S41-Q43 PolarHBondContact O-N 3.39Å; S41-L44 PolarHBondContact O-N 3.33Å; S41-C45 PolarHBondContact O-N 3.03Å
42	S	35.9	Very low	50.5	Low	85 Å²	85	94 Å²	94	59%	0.594	51%	0.508	S	S	*	.	H	α-helix	trans	-70.8	-19.1	179.7	54.1	0	0	0	0	114	R39 S40	R39-S42 PolarHBondContact O-OG 3.15Å; S40-S42 PolarHBondContact O-N 3.49Å
43	Q	35.3	Very low	53.9	Low	149 Å²	149	89.7 Å²	89.7	70%	0.696	48%	0.477	S	S	*	.	H	α-helix	trans	-93.4	-33	178.3	-137.2	164.2	-10.1	0	0	111.5	S40 S41 C45 K46	S40-Q43 PolarHBondContact O-N 2.88Å; S41-Q43 VanDerWaalsContact C-N 3.26Å; S41-Q43 PolarHBondContact O-N 3.39Å; Q43-C45 VanDerWaalsContact C-N 3.32Å; Q43-C45 PolarHBondContact O-N 3.24Å; Q43-K46 PolarHBondContact O-N 3.17Å
44	L	43.9	Very low	57.2	Low	36 Å²	36	84.8 Å²	84.8	19%	0.188	44%	0.443	C	S	.	.	H	α-helix	trans	-65.9	-29.9	172.2	-77.5	157	0	0	0	112.9	S40 S41 K46 E47	S40-L44 PolarHBondContact O-N 2.91Å; S41-L44 PolarHBondContact O-N 3.33Å; L44-K46 PolarHBondContact O-N 2.89Å; L44-E47 PolarHBondContact O-N 2.87Å
45	C	40.9	Very low	60.4	Low	110 Å²	110	80 Å²	80	74%	0.743	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-6.4	171.8	-86.9	0	0	0	0	115.5	S41 Q43	S41-C45 PolarHBondContact O-N 3.03Å; Q43-C45 VanDerWaalsContact C-N 3.32Å; Q43-C45 PolarHBondContact O-N 3.24Å
46	K	46	Very low	63.5	Low	180 Å²	180	73.3 Å²	73.3	78%	0.783	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-18.5	175.8	-74.6	-174.2	175.7	-177.6	0	113.9	Q43 L44	Q43-K46 PolarHBondContact O-N 3.17Å; L44-K46 PolarHBondContact O-N 2.89Å
47	E	64.9	Low	66.7	Low	98 Å²	98	64.5 Å²	64.5	46%	0.458	34%	0.339	S	S	.	.	S	Bend	trans	-90.7	125.8	179.3	-66.1	-176.7	-178.9	0	0	109.9	L44 C49 R300	L44-E47 PolarHBondContact O-N 2.87Å; E47-C49 PolarHBondContact O-N 3Å; E47-R300 IonicContact OE2-CZ 2.66Å; E47-R300 IonicContact OE2-NE 2.67Å; E47-R300 PolarHBondContact OE2-NE 3.29Å; E47-R300 VanDerWaalsContact OE2-NE 3.17Å; E47-R300 IonicContact OE2-NH2 3.19Å
48	K	89	Confident	69.7	Low	126 Å²	126	61.8 Å²	61.8	55%	0.548	31%	0.314	S	S	.	.			trans	-72	70.8	172.9	-73.6	-172.2	174.9	-174.3	0	109.6	F86 E87	K48-F86 HydrophobicContact CB-CB 4.44Å; K48-F86 HydrophobicContact CB-CD1 3.74Å; K48-F86 HydrophobicContact CB-CE1 4.07Å; K48-F86 HydrophobicContact CB-CG 4.02Å; K48-F86 HydrophobicContact CD-CE2 4.49Å; K48-F86 HydrophobicContact CG-CD1 4.48Å; K48-F86 HydrophobicContact CG-CE1 4.36Å; K48-F86 CarbonylContact O-C 3.54Å; K48-F86 VanDerWaalsContact O-CA 3.25Å; K48-F86 WeakPolarHBondContact O-CA 3.07Å; K48-F86 WeakPolarHBondContact O-CB 3.4Å; K48-F86 WeakPolarHBondContact O-CD1 3.43Å; K48-E87 PolarHBondContact O-N 3.29Å
49	C	95.7	Very high	72.5	Confident	11 Å²	11	58.5 Å²	58.5	7%	0.074	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	145.8	178.8	-67.8	0	0	0	0	111.6	E47 E87 W301 V304	E47-C49 PolarHBondContact O-N 3Å; C49-E87 CarbonylContact C-O 3.58Å; C49-E87 VanDerWaalsContact CA-O 3.28Å; C49-E87 WeakPolarHBondContact CA-O 3.24Å; C49-W301 HydrophobicContact CB-CE3 4.22Å; C49-W301 HydrophobicContact CB-CH2 4.47Å; C49-W301 HydrophobicContact CB-CZ3 3.83Å; C49-V304 HydrophobicContact CB-CG2 4.17Å
50	F	97.4	Very high	75.1	Confident	11 Å²	11	50.7 Å²	50.7	5%	0.048	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	127.7	173.5	-177.1	-111.2	0	0	0	110.2	I52 K81 F86 E87 S88 R89 H306	F50-I52 HydrophobicContact CD1-CB 4.23Å; F50-I52 HydrophobicContact CD1-CG2 4.24Å; F50-I52 HydrophobicContact CE1-CB 3.53Å; F50-I52 HydrophobicContact CE1-CD1 3.94Å; F50-I52 HydrophobicContact CE1-CG1 4.3Å; F50-I52 HydrophobicContact CE1-CG2 3.76Å; F50-I52 HydrophobicContact CZ-CB 4.01Å; F50-I52 HydrophobicContact CZ-CD1 4.02Å; F50-I52 HydrophobicContact CZ-CG1 4.45Å; F50-K81 HydrophobicContact CB-CB 4.17Å; F50-K81 HydrophobicContact CB-CG 4.11Å; F50-K81 HydrophobicContact CD1-CB 3.9Å; F50-K81 HydrophobicContact CD1-CG 3.49Å; F50-K81 VanDerWaalsContact CD1-CG 3.49Å; F50-K81 HydrophobicContact CD2-CD 4.33Å; F50-K81 HydrophobicContact CD2-CG 4.04Å; F50-K81 HydrophobicContact CE1-CB 4.5Å; F50-K81 HydrophobicContact CE1-CG 3.75Å; F50-K81 HydrophobicContact CE2-CG 4.28Å; F50-K81 HydrophobicContact CG-CB 4.13Å; F50-K81 HydrophobicContact CG-CD 4.29Å; F50-K81 HydrophobicContact CG-CG 3.63Å; F50-K81 HydrophobicContact CZ-CG 4.15Å; F50-F86 HydrophobicContact CB-CD1 4.47Å; F50-E87 PolarHBondContact N-O 3.01Å; F50-S88 WeakPolarHBondContact CD1-OG 3.42Å; F50-S88 CarbonylContact O-C 3.49Å; F50-S88 VanDerWaalsContact O-CA 3.22Å; F50-S88 WeakPolarHBondContact O-CA 3.35Å; F50-S88 PolarHBondContact O-OG 3.18Å; F50-R89 PolarHBondContact O-N 3.14Å; F50-H306 AromaticContact CD2-CE1 3.94Å; F50-H306 AromaticContact CD2-ND1 3.85Å; F50-H306 HydrophobicContact CE2-CB 4.24Å; F50-H306 AromaticContact CE2-CD2 3.82Å; F50-H306 AromaticContact CE2-CE1 3.57Å; F50-H306 AromaticContact CE2-CG 3.58Å; F50-H306 AromaticContact CE2-ND1 3.39Å; F50-H306 WeakPolarHBondContact CE2-ND1 3.43Å; F50-H306 AromaticContact CE2-NE2 3.83Å; F50-H306 HydrophobicContact CZ-CB 4.24Å
51	Y	98.6	Very high	77.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.9	174.5	175.6	-142.6	0	0	0	109.7	T53 R89 A91 Y288 V292 W301 W302 V304 A305 H306	Y51-T53 HydrophobicContact CD2-CG2 4.41Å; Y51-T53 HydrophobicContact CE1-CG2 3.97Å; Y51-T53 HydrophobicContact CE2-CG2 3.63Å; Y51-T53 WeakPolarHBondContact OH-CG2 3.23Å; Y51-R89 WeakPolarHBondContact CA-O 3.31Å; Y51-R89 HydrophobicContact CD2-CB 3.86Å; Y51-A91 HydrophobicContact CE2-CB 3.86Å; Y51-Y288 WeakPolarHBondContact CE1-O 3.4Å; Y51-Y288 PolarHBondContact OH-O 3.44Å; Y51-V292 HydrophobicContact CD1-CG1 3.81Å; Y51-V292 HydrophobicContact CD2-CG1 4.31Å; Y51-V292 HydrophobicContact CE1-CG1 3.48Å; Y51-V292 VanDerWaalsContact CE1-CG1 3.48Å; Y51-V292 HydrophobicContact CE1-CG2 4.5Å; Y51-V292 HydrophobicContact CE2-CG1 4.03Å; Y51-V292 HydrophobicContact CG-CG1 4.22Å; Y51-W301 HydrophobicContact CD1-CB 4.44Å; Y51-W301 HydrophobicContact CG-CB 4.44Å; Y51-W302 HydrophobicContact CE1-CE3 4.31Å; Y51-W302 HydrophobicContact CE1-CZ3 4.43Å; Y51-V304 PolarHBondContact N-O 2.83Å; Y51-A305 HydrophobicContact CD1-CB 3.7Å; Y51-A305 HydrophobicContact CE1-CB 4.25Å; Y51-A305 CarbonylContact O-C 3.6Å; Y51-A305 WeakPolarHBondContact O-CA 3.41Å; Y51-H306 PolarHBondContact O-N 3.11Å
52	I	98.7	Very high	79.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.4	178.1	-169.6	165.6	0	0	0	111.3	F50 A74 L77 H78 R89 F90 A91 H306 V308	F50-I52 HydrophobicContact CD1-CB 4.23Å; F50-I52 HydrophobicContact CD1-CG2 4.24Å; F50-I52 HydrophobicContact CE1-CB 3.53Å; F50-I52 HydrophobicContact CE1-CD1 3.94Å; F50-I52 HydrophobicContact CE1-CG1 4.3Å; F50-I52 HydrophobicContact CE1-CG2 3.76Å; F50-I52 HydrophobicContact CZ-CB 4.01Å; F50-I52 HydrophobicContact CZ-CD1 4.02Å; F50-I52 HydrophobicContact CZ-CG1 4.45Å; I52-A74 HydrophobicContact CD1-CB 4.18Å; I52-A74 HydrophobicContact CG1-CB 4.22Å; I52-L77 HydrophobicContact CD1-CB 3.53Å; I52-L77 HydrophobicContact CD1-CD1 3.74Å; I52-L77 HydrophobicContact CD1-CG 4.25Å; I52-H78 HydrophobicContact CG2-CB 4.01Å; I52-R89 PolarHBondContact N-O 2.89Å; I52-F90 HydrophobicContact CG2-CB 3.98Å; I52-F90 HydrophobicContact CG2-CD2 3.92Å; I52-F90 HydrophobicContact CG2-CG 4.14Å; I52-F90 VanDerWaalsContact O-CA 3.3Å; I52-F90 WeakPolarHBondContact O-CA 3.43Å; I52-A91 PolarHBondContact O-N 3.01Å; I52-H306 CarbonylContact C-O 3.5Å; I52-H306 WeakPolarHBondContact CA-O 3.45Å; I52-H306 HydrophobicContact CG1-CB 4.45Å; I52-V308 HydrophobicContact CD1-CG2 3.78Å; I52-V308 HydrophobicContact CG1-CG2 4.06Å
53	T	98.8	Very high	82.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	149.9	178	79	0	0	0	0	111.3	Y51 A91 Y288 H306 H307 V308	Y51-T53 HydrophobicContact CD2-CG2 4.41Å; Y51-T53 HydrophobicContact CE1-CG2 3.97Å; Y51-T53 HydrophobicContact CE2-CG2 3.63Å; Y51-T53 WeakPolarHBondContact OH-CG2 3.23Å; T53-A91 CarbonylContact C-O 3.54Å; T53-A91 VanDerWaalsContact CA-O 3.29Å; T53-A91 WeakPolarHBondContact CA-O 3.39Å; T53-A91 HydrophobicContact CG2-CB 4.15Å; T53-Y288 HydrophobicContact CG2-CD1 3.8Å; T53-Y288 HydrophobicContact CG2-CE1 4.43Å; T53-Y288 WeakPolarHBondContact OG1-CE1 3.41Å; T53-H306 PolarHBondContact N-O 2.99Å; T53-H307 PolarHBondContact OG1-ND1 3.23Å; T53-V308 WeakPolarHBondContact O-CB 3.4Å; T53-V308 PolarHBondContact O-N 2.88Å
54	T	98.7	Very high	84.9	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	178.5	153.6	62.7	0	0	0	0	109.9	A71 A74 F90 A91 T92 Y288 V308	T54-A71 HydrophobicContact CG2-CB 4.27Å; T54-A74 HydrophobicContact CG2-CB 3.78Å; T54-F90 HydrophobicContact CG2-CE2 3.76Å; T54-F90 HydrophobicContact CG2-CZ 3.99Å; T54-A91 PolarHBondContact N-O 3.49Å; T54-T92 VanDerWaalsContact OG1-CA 3.29Å; T54-T92 WeakPolarHBondContact OG1-CA 3.31Å; T54-T92 VanDerWaalsContact OG1-CB 3.31Å; T54-T92 WeakPolarHBondContact OG1-CB 3.38Å; T54-T92 PolarHBondContact OG1-OG1 2.76Å; T54-Y288 WeakPolarHBondContact O-CE1 3.21Å; T54-V308 CarbonylContact C-O 3.32Å
55	P	97.1	Very high	87.1	Confident	11 Å²	11	38 Å²	38	7%	0.071	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	160	153.4	-12.2	31.6	0	0	0	109.7	F57 V308 I309 I313	P55-F57 HydrophobicContact CG-CE1 4.5Å; P55-V308 WeakPolarHBondContact CD-O 3.1Å; P55-I309 HydrophobicContact CG-CB 4.42Å; P55-I309 HydrophobicContact CG-CG2 4.24Å; P55-I313 HydrophobicContact CB-CD1 3.63Å; P55-I313 HydrophobicContact CG-CD1 3.53Å
56	I	97.9	Very high	89.4	Confident	17 Å²	17	33.6 Å²	33.6	9%	0.087	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	137.5	159.4	50.8	167.1	0	0	0	109.1	G93 D95 I138 T140 A284 N287	I56-G93 WeakPolarHBondContact CA-O 3.46Å; I56-D95 HydrophobicContact CB-CB 4.41Å; I56-D95 HydrophobicContact CD1-CB 3.8Å; I56-D95 HydrophobicContact CG1-CB 3.98Å; I56-I138 HydrophobicContact CG2-CG2 3.71Å; I56-T140 HydrophobicContact CD1-CG2 3.41Å; I56-T140 VanDerWaalsContact CD1-CG2 3.41Å; I56-A284 HydrophobicContact CD1-CB 3.74Å; I56-A284 HydrophobicContact CG1-CB 4.4Å; I56-N287 HydrophobicContact CD1-CB 4Å; I56-N287 HydrophobicContact CG2-CB 4.32Å; I56-N287 WeakPolarHBondContact CG2-OD1 3.19Å
57	F	95.8	Very high	91.7	Very high	11 Å²	11	26.6 Å²	26.6	5%	0.048	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132.4	-168.7	-54	-72.2	0	0	0	111.8	P55 V59 H67 G93 T94 D95 F123 F127	P55-F57 HydrophobicContact CG-CE1 4.5Å; F57-V59 PolarHBondContact O-N 3.26Å; F57-H67 HydrophobicContact CD1-CB 3.96Å; F57-H67 AromaticContact CD1-CD2 3.4Å; F57-H67 WeakPolarHBondContact CD1-CD2 3.37Å; F57-H67 AromaticContact CD1-CG 3.88Å; F57-H67 HydrophobicContact CE1-CB 3.9Å; F57-H67 AromaticContact CE1-CD2 3.92Å; F57-H67 HydrophobicContact CG-CB 4.32Å; F57-H67 HydrophobicContact CZ-CB 4.24Å; F57-G93 WeakPolarHBondContact CD2-O 3.37Å; F57-G93 PolarHBondContact N-O 3.32Å; F57-T94 WeakPolarHBondContact O-CA 3.42Å; F57-D95 PolarHBondContact O-N 3.2Å; F57-F123 HydrophobicContact CB-CD1 3.96Å; F57-F123 HydrophobicContact CB-CE1 3.33Å; F57-F123 HydrophobicContact CB-CZ 3.75Å; F57-F123 AromaticContact CD2-CD1 3.91Å; F57-F123 HydrophobicContact CD2-CD1 3.91Å; F57-F123 AromaticContact CD2-CE1 3.96Å; F57-F123 HydrophobicContact CD2-CE1 3.96Å; F57-F123 HydrophobicContact CG-CD1 4.13Å; F57-F123 AromaticContact CG-CE1 3.69Å; F57-F123 HydrophobicContact CG-CE1 3.69Å; F57-F127 HydrophobicContact CD2-CE2 4.03Å; F57-F127 AromaticContact CD2-CZ 3.81Å; F57-F127 HydrophobicContact CD2-CZ 3.81Å; F57-F127 AromaticContact CE2-CE2 3.72Å; F57-F127 HydrophobicContact CE2-CE2 3.72Å; F57-F127 AromaticContact CE2-CZ 3.38Å; F57-F127 HydrophobicContact CE2-CZ 3.38Å; F57-F127 HydrophobicContact CZ-CZ 4.17Å
58	Y	92.6	Very high	93.1	Very high	46 Å²	46	22 Å²	22	18%	0.18	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	127.4	177.4	-116.9	-122.5	0	0	0	111.1	N60 D95 K100 I101 E176 V280	Y58-N60 VanDerWaalsContact C-N 3.27Å; Y58-N60 PolarHBondContact O-N 3.23Å; Y58-N60 PolarHBondContact O-OD1 3.46Å; Y58-D95 HydrophobicContact CD2-CB 3.7Å; Y58-D95 WeakPolarHBondContact CD2-OD2 3.41Å; Y58-D95 HydrophobicContact CE2-CB 4.15Å; Y58-D95 WeakPolarHBondContact CE2-OD2 2.93Å; Y58-K100 HydrophobicContact CD1-CB 4.44Å; Y58-K100 HydrophobicContact CD1-CD 4.4Å; Y58-K100 HydrophobicContact CE1-CB 4.01Å; Y58-K100 HydrophobicContact CE1-CD 3.95Å; Y58-I101 HydrophobicContact CD1-CD1 4.16Å; Y58-I101 HydrophobicContact CD1-CG1 4.07Å; Y58-I101 HydrophobicContact CE1-CD1 4.26Å; Y58-I101 HydrophobicContact CE1-CG1 4.18Å; Y58-I101 HydrophobicContact CG-CD1 4.45Å; Y58-E176 PolarHBondContact OH-OE2 3.4Å; Y58-V280 HydrophobicContact CE2-CG2 3.91Å; Y58-V280 WeakPolarHBondContact OH-CG2 3.36Å
59	V	92	Very high	93.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	21.8	-176.9	-62.2	0	0	0	0	114.2	F57 A61 T94 D95 E96 I101 F115 C116 V119	F57-V59 PolarHBondContact O-N 3.26Å; V59-A61 PolarHBondContact O-N 3.21Å; V59-T94 VanDerWaalsContact CG1-CB 3.45Å; V59-T94 HydrophobicContact CG1-CG2 3.38Å; V59-D95 PolarHBondContact N-O 3Å; V59-E96 HydrophobicContact CG1-CG 4.16Å; V59-E96 HydrophobicContact CG2-CB 4.28Å; V59-E96 HydrophobicContact CG2-CG 3.94Å; V59-I101 HydrophobicContact CG2-CD1 3.78Å; V59-I101 HydrophobicContact CG2-CG1 4.27Å; V59-I101 HydrophobicContact CG2-CG2 4.17Å; V59-F115 WeakPolarHBondContact O-CE1 3.47Å; V59-C116 HydrophobicContact CG2-CB 4Å; V59-V119 HydrophobicContact CB-CB 3.96Å; V59-V119 HydrophobicContact CB-CG1 3.73Å; V59-V119 HydrophobicContact CG1-CB 4.49Å; V59-V119 HydrophobicContact CG1-CG1 4.18Å; V59-V119 WeakPolarHBondContact O-CG1 3.37Å
60	N	83.8	Confident	93.5	Very high	72 Å²	72	16.1 Å²	16.1	39%	0.385	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-14.2	174	69.9	-43.1	0	0	0	112.8	Y58 I101 A104	Y58-N60 VanDerWaalsContact C-N 3.27Å; Y58-N60 PolarHBondContact O-N 3.23Å; Y58-N60 PolarHBondContact O-OD1 3.46Å; N60-I101 HydrophobicContact CB-CG1 4.47Å; N60-A104 HydrophobicContact CB-CB 4.32Å
61	A	82.9	Confident	93.5	Very high	21 Å²	21	15.6 Å²	15.6	17%	0.174	9%	0.089	C	C	.	.	S	Bend	trans	-151.6	149	-173.8	0	0	0	0	0	112.2	V59 F123 K351	V59-A61 PolarHBondContact O-N 3.21Å; A61-F123 WeakPolarHBondContact O-CE2 3.33Å; A61-K351 HydrophobicContact CB-CD 4.08Å
62	A	87.4	Confident	93.4	Very high	30 Å²	30	15.6 Å²	15.6	25%	0.248	9%	0.089	C	C	.	.			trans	-49.1	146.8	165	0	0	0	0	0	113.2
63	P	91.4	Very high	93.4	Very high	10 Å²	10	15.8 Å²	15.8	7%	0.065	9%	0.09	C	C	.	.			trans	-66.1	155.5	-176.5	28.2	-36.7	0	0	0	112.9	H67 F123 L126 F360	P63-H67 WeakPolarHBondContact CA-ND1 3.38Å; P63-F123 HydrophobicContact CB-CD1 3.76Å; P63-F123 HydrophobicContact CB-CD2 4.25Å; P63-F123 HydrophobicContact CB-CE1 3.66Å; P63-F123 HydrophobicContact CB-CE2 4.15Å; P63-F123 HydrophobicContact CB-CG 4.06Å; P63-F123 HydrophobicContact CB-CZ 3.86Å; P63-F123 HydrophobicContact CG-CD2 4.4Å; P63-F123 HydrophobicContact CG-CG 4.38Å; P63-L126 HydrophobicContact CB-CD2 3.58Å; P63-L126 HydrophobicContact CG-CB 4.31Å; P63-L126 HydrophobicContact CG-CD2 3.76Å; P63-F360 HydrophobicContact CG-CE2 4.37Å
64	H	89.5	Confident	93.3	Very high	43 Å²	43	15.8 Å²	15.8	20%	0.199	9%	0.09	C	C	.	.			trans	-136.7	173.5	177	59.1	47.3	0	0	0	111.2	G66 H67 L68 V356	H64-G66 PolarHBondContact ND1-N 2.86Å; H64-G66 VanDerWaalsContact ND1-N 3.12Å; H64-G66 PolarHBondContact O-N 2.88Å; H64-H67 AromaticContact CD2-CE1 3.64Å; H64-H67 AromaticContact CE1-CD2 3.57Å; H64-H67 AromaticContact CE1-CE1 3.39Å; H64-H67 PolarHBondContact CE1-CE1 3.07Å; H64-H67 AromaticContact CE1-CG 3.81Å; H64-H67 AromaticContact CE1-ND1 3.71Å; H64-H67 AromaticContact CE1-NE2 3.29Å; H64-H67 PolarHBondContact CE1-NE2 3.15Å; H64-H67 VanDerWaalsContact CE1-NE2 3.29Å; H64-H67 AromaticContact CG-CE1 3.86Å; H64-H67 AromaticContact CG-ND1 3.88Å; H64-H67 PolarHBondContact N-ND1 2.94Å; H64-H67 AromaticContact ND1-CE1 3.71Å; H64-H67 AromaticContact ND1-CG 3.82Å; H64-H67 PolarHBondContact ND1-N 2.88Å; H64-H67 AromaticContact ND1-ND1 3.61Å; H64-H67 AromaticContact ND1-NE2 3.98Å; H64-H67 AromaticContact NE2-CE1 3.36Å; H64-H67 PolarHBondContact NE2-CE1 2.83Å; H64-H67 AromaticContact NE2-NE2 3.43Å; H64-H67 PolarHBondContact NE2-NE2 3.17Å; H64-H67 PolarHBondContact O-N 3.13Å; H64-L68 PolarHBondContact O-N 2.96Å; H64-V356 HydrophobicContact CB-CG1 3.55Å
65	L	90	Very high	93.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-50	-35.9	-178.1	-166.9	71.2	0	0	0	114.6	H67 L68 Y69 M349 V357 M371 L375 Y387	L65-H67 PolarHBondContact O-N 3.32Å; L65-L68 PolarHBondContact O-N 2.78Å; L65-Y69 WeakPolarHBondContact O-CB 3.43Å; L65-Y69 PolarHBondContact O-N 2.91Å; L65-M349 HydrophobicContact CB-CE 3.92Å; L65-M349 HydrophobicContact CB-SD 3.99Å; L65-M349 HydrophobicContact CD2-CE 4.18Å; L65-M349 HydrophobicContact CD2-SD 4.45Å; L65-M349 HydrophobicContact CG-CE 4.49Å; L65-V357 HydrophobicContact CB-CB 4.22Å; L65-V357 HydrophobicContact CD2-CB 4.24Å; L65-V357 HydrophobicContact CD2-CG1 4.21Å; L65-M371 HydrophobicContact CD1-CE 3.45Å; L65-M371 VanDerWaalsContact CD1-CE 3.45Å; L65-L375 HydrophobicContact CD1-CD1 3.74Å; L65-L375 HydrophobicContact CD1-CD2 3.95Å; L65-L375 HydrophobicContact CD1-CG 4.4Å; L65-L375 HydrophobicContact CD2-CD2 3.99Å; L65-L375 HydrophobicContact CG-CD1 4.42Å; L65-L375 HydrophobicContact CG-CD2 3.98Å; L65-Y387 HydrophobicContact CD2-CD2 3.69Å; L65-Y387 HydrophobicContact CD2-CE2 4.18Å; L65-Y387 HydrophobicContact CD2-CG 4.1Å
66	G	90.1	Very high	93.4	Very high	17 Å²	17	15.2 Å²	15.2	18%	0.175	9%	0.087	C	C	.	.	H	α-helix	trans	-59.1	-40.9	175.2	0	0	0	0	0	114.5	H64 Y69 S70	H64-G66 PolarHBondContact ND1-N 2.86Å; H64-G66 VanDerWaalsContact ND1-N 3.12Å; H64-G66 PolarHBondContact O-N 2.88Å; G66-Y69 PolarHBondContact O-N 3.35Å; G66-S70 PolarHBondContact O-N 3.11Å; G66-S70 PolarHBondContact O-OG 2.87Å
67	H	93.3	Very high	93.4	Very high	33 Å²	33	14.7 Å²	14.7	15%	0.153	8%	0.084	C	C	.	.	H	α-helix	trans	-68.8	-42.7	177.3	-52.4	138.5	0	0	0	110.8	F57 P63 H64 L65 Y69 S70 A71 F123	F57-H67 HydrophobicContact CD1-CB 3.96Å; F57-H67 AromaticContact CD1-CD2 3.4Å; F57-H67 WeakPolarHBondContact CD1-CD2 3.37Å; F57-H67 AromaticContact CD1-CG 3.88Å; F57-H67 HydrophobicContact CE1-CB 3.9Å; F57-H67 AromaticContact CE1-CD2 3.92Å; F57-H67 HydrophobicContact CG-CB 4.32Å; F57-H67 HydrophobicContact CZ-CB 4.24Å; P63-H67 WeakPolarHBondContact CA-ND1 3.38Å; H64-H67 AromaticContact CD2-CE1 3.64Å; H64-H67 AromaticContact CE1-CD2 3.57Å; H64-H67 AromaticContact CE1-CE1 3.39Å; H64-H67 PolarHBondContact CE1-CE1 3.07Å; H64-H67 AromaticContact CE1-CG 3.81Å; H64-H67 AromaticContact CE1-ND1 3.71Å; H64-H67 AromaticContact CE1-NE2 3.29Å; H64-H67 PolarHBondContact CE1-NE2 3.15Å; H64-H67 VanDerWaalsContact CE1-NE2 3.29Å; H64-H67 AromaticContact CG-CE1 3.86Å; H64-H67 AromaticContact CG-ND1 3.88Å; H64-H67 PolarHBondContact N-ND1 2.94Å; H64-H67 AromaticContact ND1-CE1 3.71Å; H64-H67 AromaticContact ND1-CG 3.82Å; H64-H67 PolarHBondContact ND1-N 2.88Å; H64-H67 AromaticContact ND1-ND1 3.61Å; H64-H67 AromaticContact ND1-NE2 3.98Å; H64-H67 AromaticContact NE2-CE1 3.36Å; H64-H67 PolarHBondContact NE2-CE1 2.83Å; H64-H67 AromaticContact NE2-NE2 3.43Å; H64-H67 PolarHBondContact NE2-NE2 3.17Å; H64-H67 PolarHBondContact O-N 3.13Å; L65-H67 PolarHBondContact O-N 3.32Å; H67-Y69 VanDerWaalsContact C-N 3.27Å; H67-Y69 PolarHBondContact O-N 3.43Å; H67-S70 PolarHBondContact O-N 3.35Å; H67-A71 PolarHBondContact O-N 3.2Å; H67-A71 VanDerWaalsContact O-N 3.12Å; H67-F123 HydrophobicContact CB-CE1 3.94Å; H67-F123 AromaticContact CE1-CE1 3.92Å; H67-F123 AromaticContact CE1-CZ 3.76Å; H67-F123 AromaticContact CG-CE1 3.65Å; H67-F123 AromaticContact ND1-CE1 3.35Å; H67-F123 WeakPolarHBondContact ND1-CE1 3.28Å; H67-F123 AromaticContact ND1-CZ 3.59Å
68	L	94.4	Very high	93.5	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-61.5	-37.8	177.1	-176.6	58.1	0	0	0	111.7	H64 L65 A71 M72 L126 F127 C130 V132 P359	H64-L68 PolarHBondContact O-N 2.96Å; L65-L68 PolarHBondContact O-N 2.78Å; L68-A71 PolarHBondContact O-N 3.19Å; L68-M72 HydrophobicContact CD1-CE 3.75Å; L68-M72 HydrophobicContact CD1-CG 4.18Å; L68-M72 HydrophobicContact CD2-CE 3.54Å; L68-M72 HydrophobicContact CG-CE 3.47Å; L68-M72 VanDerWaalsContact CG-CE 3.47Å; L68-M72 HydrophobicContact CG-CG 4.27Å; L68-M72 HydrophobicContact CG-SD 4.08Å; L68-M72 WeakPolarHBondContact O-CB 3.49Å; L68-M72 VanDerWaalsContact O-CG 3.28Å; L68-M72 WeakPolarHBondContact O-CG 3.41Å; L68-M72 PolarHBondContact O-N 3.42Å; L68-L126 HydrophobicContact CB-CD2 4.49Å; L68-F127 HydrophobicContact CD1-CD1 4.24Å; L68-C130 HydrophobicContact CD1-CB 3.69Å; L68-C130 HydrophobicContact CD2-CB 4.44Å; L68-V132 HydrophobicContact CD1-CG2 4.28Å; L68-P359 HydrophobicContact CD2-CB 3.68Å
69	Y	95.5	Very high	93.8	Very high	7 Å²	7	14.8 Å²	14.8	3%	0.027	8%	0.084	C	C	.	.	H	α-helix	trans	-62.6	-46.7	177.3	-178.2	-128.5	0	0	0	112.5	L65 G66 H67 A71 M72 I73 H339 W342 L375 G379	L65-Y69 WeakPolarHBondContact O-CB 3.43Å; L65-Y69 PolarHBondContact O-N 2.91Å; G66-Y69 PolarHBondContact O-N 3.35Å; H67-Y69 VanDerWaalsContact C-N 3.27Å; H67-Y69 PolarHBondContact O-N 3.43Å; Y69-A71 VanDerWaalsContact C-N 3.3Å; Y69-A71 PolarHBondContact O-N 3.47Å; Y69-M72 PolarHBondContact O-N 3.43Å; Y69-I73 HydrophobicContact CD1-CD1 4.16Å; Y69-I73 HydrophobicContact CD2-CD1 4.25Å; Y69-I73 HydrophobicContact CD2-CG1 4.3Å; Y69-I73 HydrophobicContact CE1-CD1 3.77Å; Y69-I73 HydrophobicContact CE2-CD1 3.86Å; Y69-I73 HydrophobicContact CE2-CG1 4Å; Y69-I73 HydrophobicContact CG-CD1 4.4Å; Y69-I73 WeakPolarHBondContact O-CG1 3.31Å; Y69-I73 PolarHBondContact O-N 3.03Å; Y69-H339 AromaticContact CD1-CE1 3.75Å; Y69-H339 AromaticContact CD1-ND1 3.53Å; Y69-H339 HydrophobicContact CE1-CB 4.03Å; Y69-H339 AromaticContact CE1-CG 3.81Å; Y69-H339 AromaticContact CE1-ND1 3.47Å; Y69-H339 WeakPolarHBondContact CE1-ND1 3.43Å; Y69-W342 AromaticContact CD1-CD1 3.46Å; Y69-W342 VanDerWaalsContact CD1-CD1 3.46Å; Y69-W342 AromaticContact CD1-NE1 3.47Å; Y69-W342 AromaticContact CD2-NE1 3.35Å; Y69-W342 VanDerWaalsContact CD2-NE1 3.35Å; Y69-W342 AromaticContact CE1-CD1 3.96Å; Y69-W342 AromaticContact CE1-NE1 3.65Å; Y69-W342 AromaticContact CE2-NE1 3.55Å; Y69-W342 AromaticContact CG-CD1 3.5Å; Y69-W342 VanDerWaalsContact CG-CD1 3.5Å; Y69-W342 AromaticContact CG-NE1 3.3Å; Y69-W342 VanDerWaalsContact CG-NE1 3.3Å; Y69-W342 AromaticContact CZ-NE1 3.69Å; Y69-L375 HydrophobicContact CD2-CB 4.06Å; Y69-L375 WeakPolarHBondContact CE2-O 3.27Å; Y69-G379 WeakPolarHBondContact OH-CA 3.47Å
70	S	96.8	Very high	94.1	Very high	7 Å²	7	14.9 Å²	14.9	5%	0.049	8%	0.084	C	C	.	.	H	α-helix	trans	-58	-44.5	174.2	-55.8	0	0	0	0	111.6	G66 H67 I73 A74 H339	G66-S70 PolarHBondContact O-N 3.11Å; G66-S70 PolarHBondContact O-OG 2.87Å; H67-S70 PolarHBondContact O-N 3.35Å; S70-I73 PolarHBondContact O-N 3.49Å; S70-A74 PolarHBondContact O-N 2.83Å; S70-A74 VanDerWaalsContact O-N 3.15Å; S70-H339 PolarHBondContact OG-CE1 2.92Å; S70-H339 VanDerWaalsContact OG-CE1 3.26Å; S70-H339 PolarHBondContact OG-NE2 3.28Å
71	A	97.6	Very high	94.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.5	-40.7	177.6	0	0	0	0	0	113	T54 H67 L68 Y69 A74 D75 F127 V132	T54-A71 HydrophobicContact CG2-CB 4.27Å; H67-A71 PolarHBondContact O-N 3.2Å; H67-A71 VanDerWaalsContact O-N 3.12Å; L68-A71 PolarHBondContact O-N 3.19Å; Y69-A71 VanDerWaalsContact C-N 3.3Å; Y69-A71 PolarHBondContact O-N 3.47Å; A71-A74 PolarHBondContact O-N 2.74Å; A71-D75 WeakPolarHBondContact O-CB 3.42Å; A71-D75 PolarHBondContact O-N 3.06Å; A71-F127 HydrophobicContact CB-CD1 3.97Å; A71-F127 HydrophobicContact CB-CE1 3.72Å; A71-F127 HydrophobicContact CB-CZ 4.1Å; A71-V132 HydrophobicContact CB-CG1 4.11Å; A71-V132 HydrophobicContact CB-CG2 4.22Å
72	M	97	Very high	95.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-68.1	-37.9	178	-75.8	178.5	178.5	0	0	112.9	L68 Y69 C76 C130 M371 R372 L375 L376	L68-M72 HydrophobicContact CD1-CE 3.75Å; L68-M72 HydrophobicContact CD1-CG 4.18Å; L68-M72 HydrophobicContact CD2-CE 3.54Å; L68-M72 HydrophobicContact CG-CE 3.47Å; L68-M72 VanDerWaalsContact CG-CE 3.47Å; L68-M72 HydrophobicContact CG-CG 4.27Å; L68-M72 HydrophobicContact CG-SD 4.08Å; L68-M72 WeakPolarHBondContact O-CB 3.49Å; L68-M72 VanDerWaalsContact O-CG 3.28Å; L68-M72 WeakPolarHBondContact O-CG 3.41Å; L68-M72 PolarHBondContact O-N 3.42Å; Y69-M72 PolarHBondContact O-N 3.43Å; M72-C76 WeakPolarHBondContact O-CB 3.45Å; M72-C76 PolarHBondContact O-N 2.9Å; M72-C130 HydrophobicContact CE-CB 4.49Å; M72-M371 HydrophobicContact CE-CB 4.44Å; M72-R372 HydrophobicContact CE-CB 4.15Å; M72-R372 HydrophobicContact CE-CG 3.39Å; M72-R372 HydrophobicContact CG-CG 4.28Å; M72-R372 HydrophobicContact SD-CB 4.19Å; M72-R372 HydrophobicContact SD-CG 3.88Å; M72-L375 HydrophobicContact CE-CD1 3.95Å; M72-L375 HydrophobicContact SD-CB 4.21Å; M72-L375 HydrophobicContact SD-CD1 3.48Å; M72-L375 WeakPolarHBondContact SD-CD1 3.5Å; M72-L375 HydrophobicContact SD-CG 4.45Å; M72-L376 HydrophobicContact CB-CD1 4.49Å; M72-L376 HydrophobicContact CB-CD2 4.45Å
73	I	97.9	Very high	95.8	Very high	4 Å²	4	14.4 Å²	14.4	2%	0.021	7%	0.073	C	C	.	.	H	α-helix	trans	-61.9	-50.1	174.2	-68	168.2	0	0	0	109.7	Y69 S70 C76 L77 V308 H339 L376 M463	Y69-I73 HydrophobicContact CD1-CD1 4.16Å; Y69-I73 HydrophobicContact CD2-CD1 4.25Å; Y69-I73 HydrophobicContact CD2-CG1 4.3Å; Y69-I73 HydrophobicContact CE1-CD1 3.77Å; Y69-I73 HydrophobicContact CE2-CD1 3.86Å; Y69-I73 HydrophobicContact CE2-CG1 4Å; Y69-I73 HydrophobicContact CG-CD1 4.4Å; Y69-I73 WeakPolarHBondContact O-CG1 3.31Å; Y69-I73 PolarHBondContact O-N 3.03Å; S70-I73 PolarHBondContact O-N 3.49Å; I73-C76 WeakPolarHBondContact O-CB 3.45Å; I73-C76 PolarHBondContact O-N 2.97Å; I73-L77 HydrophobicContact CG2-CD1 4.3Å; I73-L77 WeakPolarHBondContact O-CG 3.48Å; I73-L77 PolarHBondContact O-N 3.42Å; I73-V308 HydrophobicContact CB-CG1 4Å; I73-V308 HydrophobicContact CG2-CG1 3.75Å; I73-V308 HydrophobicContact CG2-CG2 3.98Å; I73-H339 HydrophobicContact CD1-CB 3.81Å; I73-L376 HydrophobicContact CG1-CD2 3.98Å; I73-M463 HydrophobicContact CG2-CG 3.88Å; I73-M463 HydrophobicContact CG2-SD 3.66Å
74	A	98.4	Very high	96	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.1	-42.7	-178.7	0	0	0	0	0	112	I52 T54 S70 A71 C76 L77 H78 F90 V308	I52-A74 HydrophobicContact CD1-CB 4.18Å; I52-A74 HydrophobicContact CG1-CB 4.22Å; T54-A74 HydrophobicContact CG2-CB 3.78Å; S70-A74 PolarHBondContact O-N 2.83Å; S70-A74 VanDerWaalsContact O-N 3.15Å; A71-A74 PolarHBondContact O-N 2.74Å; A74-C76 VanDerWaalsContact C-N 3.33Å; A74-C76 PolarHBondContact O-N 2.63Å; A74-L77 PolarHBondContact O-N 2.8Å; A74-H78 VanDerWaalsContact O-CB 3.27Å; A74-H78 WeakPolarHBondContact O-CB 3.37Å; A74-H78 PolarHBondContact O-N 2.87Å; A74-F90 HydrophobicContact CB-CD2 4.06Å; A74-F90 HydrophobicContact CB-CE2 3.31Å; A74-F90 HydrophobicContact CB-CZ 3.61Å; A74-V308 HydrophobicContact CB-CB 4.24Å; A74-V308 HydrophobicContact CB-CG2 3.97Å
75	D	98.6	Very high	96.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.5	-40.3	174	-178.5	63.3	0	0	0	112.3	A71 H78 R79 F90 V132 S133 R372	A71-D75 WeakPolarHBondContact O-CB 3.42Å; A71-D75 PolarHBondContact O-N 3.06Å; D75-H78 WeakPolarHBondContact O-CB 3.31Å; D75-H78 PolarHBondContact O-N 3.38Å; D75-R79 VanDerWaalsContact CG-NE 3.31Å; D75-R79 WeakPolarHBondContact O-CB 2.86Å; D75-R79 VanDerWaalsContact O-CG 3.24Å; D75-R79 WeakPolarHBondContact O-CG 3.2Å; D75-R79 PolarHBondContact O-N 3.18Å; D75-R79 IonicContact OD1-CZ 2.79Å; D75-R79 IonicContact OD1-NE 3.76Å; D75-R79 PolarHBondContact OD1-NE 3.11Å; D75-R79 VanDerWaalsContact OD1-NE 3.12Å; D75-R79 IonicContact OD1-NH2 3.83Å; D75-R79 WeakPolarHBondContact OD2-CD 2.98Å; D75-R79 IonicContact OD2-CZ 3.48Å; D75-R79 IonicContact OD2-NE 3.31Å; D75-R79 PolarHBondContact OD2-NE 2.93Å; D75-R79 IonicContact OD2-NH2 2.78Å; D75-F90 HydrophobicContact CB-CD1 4.46Å; D75-F90 HydrophobicContact CB-CE1 3.76Å; D75-F90 HydrophobicContact CB-CZ 4.43Å; D75-V132 HydrophobicContact CB-CG1 4.16Å; D75-S133 WeakPolarHBondContact OD1-CB 3.29Å; D75-S133 PolarHBondContact OD1-N 3.48Å; D75-R372 IonicContact OD2-CZ 3.53Å; D75-R372 IonicContact OD2-NH1 2.58Å; D75-R372 PolarHBondContact OD2-NH1 3.02Å; D75-R372 IonicContact OD2-NH2 3.64Å; D75-R372 PolarHBondContact OD2-NH2 3.39Å
76	C	98.4	Very high	96.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.2	-47.1	178.1	-172.2	0	0	0	0	111.5	M72 I73 A74 R79 W80 L376 Y460 P522 V523	M72-C76 WeakPolarHBondContact O-CB 3.45Å; M72-C76 PolarHBondContact O-N 2.9Å; I73-C76 WeakPolarHBondContact O-CB 3.45Å; I73-C76 PolarHBondContact O-N 2.97Å; A74-C76 VanDerWaalsContact C-N 3.33Å; A74-C76 PolarHBondContact O-N 2.63Å; C76-R79 PolarHBondContact O-N 2.76Å; C76-W80 VanDerWaalsContact O-CB 3.31Å; C76-W80 WeakPolarHBondContact O-CB 3.41Å; C76-W80 PolarHBondContact O-N 2.88Å; C76-L376 HydrophobicContact CB-CD1 4.04Å; C76-Y460 WeakPolarHBondContact SG-CE1 3.45Å; C76-P522 WeakPolarHBondContact CA-O 3.46Å; C76-P522 WeakPolarHBondContact O-CB 3.44Å; C76-V523 VanDerWaalsContact SG-CG2 3.58Å
77	L	98.1	Very high	96.8	Very high	7 Å²	7	22.3 Å²	22.3	4%	0.037	12%	0.118	C	C	.	.	H	α-helix	trans	-67.9	-36.7	176.2	-64.7	179	0	0	0	112.1	I52 I73 A74 W80 K81 V308 Y460 M463	I52-L77 HydrophobicContact CD1-CB 3.53Å; I52-L77 HydrophobicContact CD1-CD1 3.74Å; I52-L77 HydrophobicContact CD1-CG 4.25Å; I73-L77 HydrophobicContact CG2-CD1 4.3Å; I73-L77 WeakPolarHBondContact O-CG 3.48Å; I73-L77 PolarHBondContact O-N 3.42Å; A74-L77 PolarHBondContact O-N 2.8Å; L77-W80 WeakPolarHBondContact O-CB 3.21Å; L77-W80 PolarHBondContact O-N 3.28Å; L77-K81 WeakPolarHBondContact O-CG 3.14Å; L77-K81 PolarHBondContact O-N 2.69Å; L77-V308 HydrophobicContact CD1-CG2 4.44Å; L77-Y460 VanDerWaalsContact CD2-O 3.3Å; L77-Y460 WeakPolarHBondContact CD2-O 3.32Å; L77-M463 HydrophobicContact CD1-CG 4.29Å
78	H	98.5	Very high	97	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.019	12%	0.115	C	C	.	.	H	α-helix	trans	-57.9	-53.4	172.1	171.5	63	0	0	0	111.3	I52 A74 D75 W80 K81 L82 S88 F90 S133	I52-H78 HydrophobicContact CG2-CB 4.01Å; A74-H78 VanDerWaalsContact O-CB 3.27Å; A74-H78 WeakPolarHBondContact O-CB 3.37Å; A74-H78 PolarHBondContact O-N 2.87Å; D75-H78 WeakPolarHBondContact O-CB 3.31Å; D75-H78 PolarHBondContact O-N 3.38Å; H78-W80 VanDerWaalsContact C-N 3.31Å; H78-W80 PolarHBondContact O-N 3.22Å; H78-K81 PolarHBondContact O-N 3.07Å; H78-L82 WeakPolarHBondContact NE2-CD1 3.19Å; H78-L82 WeakPolarHBondContact O-CG 2.99Å; H78-L82 PolarHBondContact O-N 3Å; H78-S88 PolarHBondContact CE1-O 2.86Å; H78-S88 VanDerWaalsContact ND1-CB 3.26Å; H78-S88 WeakPolarHBondContact ND1-CB 3.31Å; H78-S88 PolarHBondContact ND1-OG 3.45Å; H78-F90 HydrophobicContact CB-CB 4.03Å; H78-F90 HydrophobicContact CB-CD1 4.18Å; H78-F90 HydrophobicContact CB-CG 4.22Å; H78-S133 PolarHBondContact CD2-O 3.2Å; H78-S133 PolarHBondContact NE2-O 3.26Å
79	R	98.4	Very high	97.2	Very high	55 Å²	55	25.5 Å²	25.5	21%	0.208	13%	0.131	C	C	.	.	H	α-helix	trans	-64	-35	178.4	-70.2	172.6	-177.3	-80.5	5.3	112.6	D75 C76 L82 L83 S131 P522	D75-R79 VanDerWaalsContact CG-NE 3.31Å; D75-R79 WeakPolarHBondContact O-CB 2.86Å; D75-R79 VanDerWaalsContact O-CG 3.24Å; D75-R79 WeakPolarHBondContact O-CG 3.2Å; D75-R79 PolarHBondContact O-N 3.18Å; D75-R79 IonicContact OD1-CZ 2.79Å; D75-R79 IonicContact OD1-NE 3.76Å; D75-R79 PolarHBondContact OD1-NE 3.11Å; D75-R79 VanDerWaalsContact OD1-NE 3.12Å; D75-R79 IonicContact OD1-NH2 3.83Å; D75-R79 WeakPolarHBondContact OD2-CD 2.98Å; D75-R79 IonicContact OD2-CZ 3.48Å; D75-R79 IonicContact OD2-NE 3.31Å; D75-R79 PolarHBondContact OD2-NE 2.93Å; D75-R79 IonicContact OD2-NH2 2.78Å; C76-R79 PolarHBondContact O-N 2.76Å; R79-L82 PolarHBondContact O-N 3.46Å; R79-L83 WeakPolarHBondContact O-CB 3.44Å; R79-L83 PolarHBondContact O-N 3.19Å; R79-S131 PolarHBondContact NH2-O 3.43Å; R79-P522 HydrophobicContact CB-CB 3.93Å
80	W	97.6	Very high	97.3	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	13%	0.13	C	C	.	.	H	α-helix	trans	-60.5	-46.1	173.3	171.6	-109.9	0	0	0	111.7	C76 L77 H78 L83 Q84 V456 E457 Y460 E461 P522 W544	C76-W80 VanDerWaalsContact O-CB 3.31Å; C76-W80 WeakPolarHBondContact O-CB 3.41Å; C76-W80 PolarHBondContact O-N 2.88Å; L77-W80 WeakPolarHBondContact O-CB 3.21Å; L77-W80 PolarHBondContact O-N 3.28Å; H78-W80 VanDerWaalsContact C-N 3.31Å; H78-W80 PolarHBondContact O-N 3.22Å; W80-L83 HydrophobicContact CE3-CD2 4.02Å; W80-L83 HydrophobicContact CZ3-CD2 4.01Å; W80-L83 WeakPolarHBondContact O-CB 3.35Å; W80-L83 PolarHBondContact O-N 3.49Å; W80-Q84 HydrophobicContact CZ2-CG 4.1Å; W80-Q84 VanDerWaalsContact CZ2-NE2 3.31Å; W80-Q84 PolarHBondContact O-N 3.01Å; W80-Q84 VanDerWaalsContact O-N 3.11Å; W80-V456 HydrophobicContact CH2-CG1 4.38Å; W80-V456 HydrophobicContact CZ3-CG1 4.23Å; W80-E457 HydrophobicContact CH2-CB 3.91Å; W80-E457 VanDerWaalsContact CZ2-CA 3.44Å; W80-E457 HydrophobicContact CZ2-CB 3.65Å; W80-E457 HydrophobicContact CZ2-CG 3.89Å; W80-Y460 HydrophobicContact CB-CD1 4.45Å; W80-Y460 HydrophobicContact CB-CG 4.5Å; W80-Y460 AromaticContact CD2-CD2 3.72Å; W80-Y460 HydrophobicContact CD2-CD2 3.72Å; W80-Y460 HydrophobicContact CD2-CE2 4.4Å; W80-Y460 AromaticContact CD2-CG 3.81Å; W80-Y460 HydrophobicContact CD2-CG 3.81Å; W80-Y460 AromaticContact CE3-CD2 3.49Å; W80-Y460 HydrophobicContact CE3-CD2 3.49Å; W80-Y460 VanDerWaalsContact CE3-CD2 3.49Å; W80-Y460 AromaticContact CE3-CE2 3.79Å; W80-Y460 HydrophobicContact CE3-CE2 3.79Å; W80-Y460 HydrophobicContact CE3-CG 4.05Å; W80-Y460 HydrophobicContact CG-CD1 4.4Å; W80-Y460 HydrophobicContact CG-CD2 4.36Å; W80-Y460 AromaticContact CG-CG 3.99Å; W80-Y460 HydrophobicContact CG-CG 3.99Å; W80-Y460 HydrophobicContact CH2-CD2 4.07Å; W80-Y460 HydrophobicContact CZ2-CD2 4.36Å; W80-Y460 AromaticContact CZ3-CD2 3.66Å; W80-Y460 HydrophobicContact CZ3-CD2 3.66Å; W80-Y460 AromaticContact CZ3-CE2 3.96Å; W80-Y460 HydrophobicContact CZ3-CE2 3.96Å; W80-E461 PolarHBondContact NE1-OE1 3.05Å; W80-P522 HydrophobicContact CB-CB 4.32Å; W80-P522 HydrophobicContact CB-CG 4.24Å; W80-P522 HydrophobicContact CE3-CG 4.15Å; W80-W544 AromaticContact CH2-CE3 3.75Å; W80-W544 HydrophobicContact CH2-CE3 3.75Å; W80-W544 AromaticContact CH2-CH2 3.5Å; W80-W544 HydrophobicContact CH2-CH2 3.5Å; W80-W544 HydrophobicContact CH2-CZ2 4.38Å; W80-W544 AromaticContact CH2-CZ3 3.16Å; W80-W544 HydrophobicContact CH2-CZ3 3.16Å; W80-W544 HydrophobicContact CZ2-CH2 4.26Å; W80-W544 HydrophobicContact CZ2-CZ3 4.19Å; W80-W544 AromaticContact CZ3-CE3 4Å; W80-W544 HydrophobicContact CZ3-CE3 4Å; W80-W544 HydrophobicContact CZ3-CH2 4.38Å; W80-W544 AromaticContact CZ3-CZ3 3.61Å; W80-W544 HydrophobicContact CZ3-CZ3 3.61Å
81	K	97.3	Very high	97.4	Very high	20 Å²	20	24.9 Å²	24.9	9%	0.087	13%	0.128	C	C	.	.	H	α-helix	trans	-67	-39.2	177	-67	-64.4	-174.2	-169.3	0	112.1	F50 L77 H78 L83 Q84 G85 F86 E461	F50-K81 HydrophobicContact CB-CB 4.17Å; F50-K81 HydrophobicContact CB-CG 4.11Å; F50-K81 HydrophobicContact CD1-CB 3.9Å; F50-K81 HydrophobicContact CD1-CG 3.49Å; F50-K81 VanDerWaalsContact CD1-CG 3.49Å; F50-K81 HydrophobicContact CD2-CD 4.33Å; F50-K81 HydrophobicContact CD2-CG 4.04Å; F50-K81 HydrophobicContact CE1-CB 4.5Å; F50-K81 HydrophobicContact CE1-CG 3.75Å; F50-K81 HydrophobicContact CE2-CG 4.28Å; F50-K81 HydrophobicContact CG-CB 4.13Å; F50-K81 HydrophobicContact CG-CD 4.29Å; F50-K81 HydrophobicContact CG-CG 3.63Å; F50-K81 HydrophobicContact CZ-CG 4.15Å; L77-K81 WeakPolarHBondContact O-CG 3.14Å; L77-K81 PolarHBondContact O-N 2.69Å; H78-K81 PolarHBondContact O-N 3.07Å; K81-L83 VanDerWaalsContact C-N 3.32Å; K81-L83 PolarHBondContact O-N 2.96Å; K81-Q84 PolarHBondContact O-N 3.25Å; K81-G85 PolarHBondContact O-N 3.16Å; K81-F86 HydrophobicContact CB-CB 4.05Å; K81-F86 HydrophobicContact CB-CG 4.35Å; K81-F86 HydrophobicContact CD-CD2 4.22Å; K81-F86 HydrophobicContact CD-CE2 4.38Å; K81-F86 HydrophobicContact CD-CG 4.36Å; K81-F86 WeakPolarHBondContact O-CB 3.39Å; K81-F86 PolarHBondContact O-N 3.27Å; K81-E461 IonicContact NZ-OE1 3.79Å; K81-E461 PolarHBondContact NZ-OE1 3.05Å; K81-E461 IonicContact NZ-OE2 3.79Å; K81-E461 PolarHBondContact NZ-OE2 3.34Å
82	L	96.9	Very high	97.4	Very high	79 Å²	79	25 Å²	25	41%	0.414	13%	0.128	S	C	.	.	H	α-helix	trans	-59.3	-42.5	171.3	-68.4	178.8	0	0	0	111.8	H78 R79 Q84 G85	H78-L82 WeakPolarHBondContact NE2-CD1 3.19Å; H78-L82 WeakPolarHBondContact O-CG 2.99Å; H78-L82 PolarHBondContact O-N 3Å; R79-L82 PolarHBondContact O-N 3.46Å; L82-Q84 VanDerWaalsContact C-N 3.27Å; L82-Q84 PolarHBondContact O-N 3.15Å; L82-G85 WeakPolarHBondContact O-CA 3.17Å; L82-G85 PolarHBondContact O-N 2.59Å
83	L	96.1	Very high	97.5	Very high	15 Å²	15	25 Å²	25	8%	0.079	13%	0.128	C	C	.	.	H	α-helix	trans	-59.5	-38.1	177.3	-177.4	66.4	0	0	0	111.9	R79 W80 K81 G85 T518 Q521 P522 R542 W544	R79-L83 WeakPolarHBondContact O-CB 3.44Å; R79-L83 PolarHBondContact O-N 3.19Å; W80-L83 HydrophobicContact CE3-CD2 4.02Å; W80-L83 HydrophobicContact CZ3-CD2 4.01Å; W80-L83 WeakPolarHBondContact O-CB 3.35Å; W80-L83 PolarHBondContact O-N 3.49Å; K81-L83 VanDerWaalsContact C-N 3.32Å; K81-L83 PolarHBondContact O-N 2.96Å; L83-G85 PolarHBondContact O-N 2.98Å; L83-T518 HydrophobicContact CD1-CG2 4.23Å; L83-Q521 VanDerWaalsContact CD1-NE2 3.29Å; L83-P522 HydrophobicContact CD2-CG 4.26Å; L83-R542 WeakPolarHBondContact CD1-O 3.39Å; L83-W544 HydrophobicContact CG-CB 4.44Å; L83-W544 WeakPolarHBondContact O-CB 3.43Å; L83-W544 PolarHBondContact O-N 3.05Å
84	Q	94.7	Very high	97.5	Very high	23 Å²	23	24.8 Å²	24.8	11%	0.107	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-0.8	174.6	-68.9	179.6	-43.7	0	0	114	W80 K81 L82 F86 E457 E461 W544	W80-Q84 HydrophobicContact CZ2-CG 4.1Å; W80-Q84 VanDerWaalsContact CZ2-NE2 3.31Å; W80-Q84 PolarHBondContact O-N 3.01Å; W80-Q84 VanDerWaalsContact O-N 3.11Å; K81-Q84 PolarHBondContact O-N 3.25Å; L82-Q84 VanDerWaalsContact C-N 3.27Å; L82-Q84 PolarHBondContact O-N 3.15Å; Q84-F86 HydrophobicContact CB-CD2 3.75Å; Q84-F86 HydrophobicContact CB-CE2 3.88Å; Q84-E457 PolarHBondContact NE2-OE1 2.94Å; Q84-E461 PolarHBondContact OE1-OE1 2.84Å; Q84-W544 HydrophobicContact CG-CB 4.5Å; Q84-W544 HydrophobicContact CG-CD2 4.41Å; Q84-W544 HydrophobicContact CG-CG 4.28Å
85	G	94.4	Very high	97.5	Very high	53 Å²	53	25 Å²	25	55%	0.546	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	24.9	179.4	0	0	0	0	0	114.4	K81 L82 L83	K81-G85 PolarHBondContact O-N 3.16Å; L82-G85 WeakPolarHBondContact O-CA 3.17Å; L82-G85 PolarHBondContact O-N 2.59Å; L83-G85 PolarHBondContact O-N 2.98Å
86	F	95.8	Very high	97.4	Very high	56 Å²	56	25 Å²	25	25%	0.246	13%	0.128	C	C	.	.			trans	-79.4	147.6	168.2	-71.9	-112.3	0	0	0	110.2	K48 F50 K81 Q84 S88	K48-F86 HydrophobicContact CB-CB 4.44Å; K48-F86 HydrophobicContact CB-CD1 3.74Å; K48-F86 HydrophobicContact CB-CE1 4.07Å; K48-F86 HydrophobicContact CB-CG 4.02Å; K48-F86 HydrophobicContact CD-CE2 4.49Å; K48-F86 HydrophobicContact CG-CD1 4.48Å; K48-F86 HydrophobicContact CG-CE1 4.36Å; K48-F86 CarbonylContact O-C 3.54Å; K48-F86 VanDerWaalsContact O-CA 3.25Å; K48-F86 WeakPolarHBondContact O-CA 3.07Å; K48-F86 WeakPolarHBondContact O-CB 3.4Å; K48-F86 WeakPolarHBondContact O-CD1 3.43Å; F50-F86 HydrophobicContact CB-CD1 4.47Å; K81-F86 HydrophobicContact CB-CB 4.05Å; K81-F86 HydrophobicContact CB-CG 4.35Å; K81-F86 HydrophobicContact CD-CD2 4.22Å; K81-F86 HydrophobicContact CD-CE2 4.38Å; K81-F86 HydrophobicContact CD-CG 4.36Å; K81-F86 WeakPolarHBondContact O-CB 3.39Å; K81-F86 PolarHBondContact O-N 3.27Å; Q84-F86 HydrophobicContact CB-CD2 3.75Å; Q84-F86 HydrophobicContact CB-CE2 3.88Å; F86-S88 PolarHBondContact O-N 3.27Å
87	E	96.9	Very high	97.3	Very high	104 Å²	104	25.8 Å²	25.8	49%	0.486	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	121.4	157.3	-66.1	-173.9	171.8	0	0	108.4	K48 C49 F50 R300 W301	K48-E87 PolarHBondContact O-N 3.29Å; C49-E87 CarbonylContact C-O 3.58Å; C49-E87 VanDerWaalsContact CA-O 3.28Å; C49-E87 WeakPolarHBondContact CA-O 3.24Å; F50-E87 PolarHBondContact N-O 3.01Å; E87-R300 IonicContact OE1-NH2 3.4Å; E87-R300 IonicContact OE2-CZ 2.91Å; E87-R300 IonicContact OE2-NH2 3.88Å; E87-R300 PolarHBondContact OE2-NH2 3.49Å; E87-W301 HydrophobicContact CB-CH2 4.15Å
88	S	97.3	Very high	97	Very high	13 Å²	13	25.5 Å²	25.5	9%	0.091	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.1	-177.7	-173.2	0	0	0	0	112.6	F50 H78 F86	F50-S88 WeakPolarHBondContact CD1-OG 3.42Å; F50-S88 CarbonylContact O-C 3.49Å; F50-S88 VanDerWaalsContact O-CA 3.22Å; F50-S88 WeakPolarHBondContact O-CA 3.35Å; F50-S88 PolarHBondContact O-OG 3.18Å; H78-S88 PolarHBondContact CE1-O 2.86Å; H78-S88 VanDerWaalsContact ND1-CB 3.26Å; H78-S88 WeakPolarHBondContact ND1-CB 3.31Å; H78-S88 PolarHBondContact ND1-OG 3.45Å; F86-S88 PolarHBondContact O-N 3.27Å
89	R	98.1	Very high	96.4	Very high	88 Å²	88	26.4 Å²	26.4	33%	0.332	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.7	163.9	-76.4	-164.2	178.8	-168.2	1.7	110.1	F50 Y51 I52 W301	F50-R89 PolarHBondContact O-N 3.14Å; Y51-R89 WeakPolarHBondContact CA-O 3.31Å; Y51-R89 HydrophobicContact CD2-CB 3.86Å; I52-R89 PolarHBondContact N-O 2.89Å; R89-W301 HydrophobicContact CB-CD2 4.44Å; R89-W301 HydrophobicContact CB-CE3 4.08Å; R89-W301 HydrophobicContact CB-CZ3 4.21Å; R89-W301 VanDerWaalsContact CD-CE2 3.48Å; R89-W301 HydrophobicContact CG-CD2 3.91Å; R89-W301 HydrophobicContact CG-CE3 3.86Å; R89-W301 HydrophobicContact CG-CH2 3.84Å; R89-W301 HydrophobicContact CG-CZ2 3.88Å; R89-W301 HydrophobicContact CG-CZ3 3.82Å; R89-W301 VanDerWaalsContact NE-NE1 3.18Å
90	F	98.6	Very high	95.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.1	175.8	174.5	-155.2	0	0	0	109.9	I52 T54 A74 D75 H78 V132 S133 F134 T135 D136	I52-F90 HydrophobicContact CG2-CB 3.98Å; I52-F90 HydrophobicContact CG2-CD2 3.92Å; I52-F90 HydrophobicContact CG2-CG 4.14Å; I52-F90 VanDerWaalsContact O-CA 3.3Å; I52-F90 WeakPolarHBondContact O-CA 3.43Å; T54-F90 HydrophobicContact CG2-CE2 3.76Å; T54-F90 HydrophobicContact CG2-CZ 3.99Å; A74-F90 HydrophobicContact CB-CD2 4.06Å; A74-F90 HydrophobicContact CB-CE2 3.31Å; A74-F90 HydrophobicContact CB-CZ 3.61Å; D75-F90 HydrophobicContact CB-CD1 4.46Å; D75-F90 HydrophobicContact CB-CE1 3.76Å; D75-F90 HydrophobicContact CB-CZ 4.43Å; H78-F90 HydrophobicContact CB-CB 4.03Å; H78-F90 HydrophobicContact CB-CD1 4.18Å; H78-F90 HydrophobicContact CB-CG 4.22Å; F90-V132 HydrophobicContact CE1-CG1 3.64Å; F90-V132 HydrophobicContact CZ-CG1 4.01Å; F90-S133 WeakPolarHBondContact CD1-O 3.27Å; F90-F134 VanDerWaalsContact CD1-CA 3.44Å; F90-F134 HydrophobicContact CD1-CB 3.91Å; F90-F134 HydrophobicContact CE1-CB 3.96Å; F90-F134 HydrophobicContact CG-CB 4.31Å; F90-F134 HydrophobicContact CZ-CB 4.42Å; F90-T135 PolarHBondContact N-OG1 2.81Å; F90-T135 PolarHBondContact O-N 2.85Å; F90-T135 PolarHBondContact O-OG1 2.88Å; F90-D136 PolarHBondContact O-N 3.2Å
91	A	98.5	Very high	95.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137.3	177.3	0	0	0	0	0	112.2	Y51 I52 T53 T54 V291	Y51-A91 HydrophobicContact CE2-CB 3.86Å; I52-A91 PolarHBondContact O-N 3.01Å; T53-A91 CarbonylContact C-O 3.54Å; T53-A91 VanDerWaalsContact CA-O 3.29Å; T53-A91 WeakPolarHBondContact CA-O 3.39Å; T53-A91 HydrophobicContact CG2-CB 4.15Å; T54-A91 PolarHBondContact N-O 3.49Å; A91-V291 HydrophobicContact CB-CB 4.25Å; A91-V291 HydrophobicContact CB-CG1 3.77Å; A91-V291 HydrophobicContact CB-CG2 4.07Å
92	T	98.6	Very high	95.2	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	174	166.9	-176.2	0	0	0	0	108.7	T54 F127 F134 D136 Y137 I138	T54-T92 VanDerWaalsContact OG1-CA 3.29Å; T54-T92 WeakPolarHBondContact OG1-CA 3.31Å; T54-T92 VanDerWaalsContact OG1-CB 3.31Å; T54-T92 WeakPolarHBondContact OG1-CB 3.38Å; T54-T92 PolarHBondContact OG1-OG1 2.76Å; T92-F127 HydrophobicContact CG2-CD2 4.22Å; T92-F127 HydrophobicContact CG2-CE2 4.46Å; T92-F134 HydrophobicContact CG2-CB 3.64Å; T92-F134 HydrophobicContact CG2-CD1 3.68Å; T92-F134 HydrophobicContact CG2-CD2 4.18Å; T92-F134 HydrophobicContact CG2-CE1 4.39Å; T92-F134 HydrophobicContact CG2-CG 3.55Å; T92-D136 PolarHBondContact N-O 3.39Å; T92-D136 VanDerWaalsContact N-O 3.15Å; T92-Y137 HydrophobicContact CG2-CD2 3.77Å; T92-Y137 HydrophobicContact CG2-CE2 4.34Å; T92-Y137 CarbonylContact O-C 3.3Å; T92-Y137 VanDerWaalsContact O-CA 3.29Å; T92-Y137 WeakPolarHBondContact O-CA 3.48Å; T92-I138 PolarHBondContact O-N 3.16Å
93	G	98.4	Very high	94.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.4	-163.3	176.8	0	0	0	0	0	114.8	I56 F57 I138	I56-G93 WeakPolarHBondContact CA-O 3.46Å; F57-G93 WeakPolarHBondContact CD2-O 3.37Å; F57-G93 PolarHBondContact N-O 3.32Å; G93-I138 CarbonylContact C-O 3.44Å; G93-I138 WeakPolarHBondContact CA-O 3.39Å
94	T	98.6	Very high	94.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137.1	-177.4	40.1	0	0	0	0	112.7	F57 V59 E96 S120 F123 Y137 I138 T140	F57-T94 WeakPolarHBondContact O-CA 3.42Å; V59-T94 VanDerWaalsContact CG1-CB 3.45Å; V59-T94 HydrophobicContact CG1-CG2 3.38Å; T94-E96 PolarHBondContact OG1-OE1 2.96Å; T94-S120 WeakPolarHBondContact OG1-CB 3.48Å; T94-S120 PolarHBondContact OG1-OG 3.2Å; T94-F123 HydrophobicContact CG2-CB 4.27Å; T94-F123 HydrophobicContact CG2-CD2 4.17Å; T94-F123 HydrophobicContact CG2-CG 4.18Å; T94-Y137 VanDerWaalsContact CG2-OH 3.29Å; T94-Y137 WeakPolarHBondContact CG2-OH 3.38Å; T94-I138 PolarHBondContact N-O 2.99Å; T94-T140 PolarHBondContact O-N 3.18Å
95	D	97.8	Very high	94.6	Very high	5 Å²	5	26 Å²	26	3%	0.027	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	115.2	169.5	-167	-9	0	0	0	108.5	I56 F57 Y58 V59 I101 A284	I56-D95 HydrophobicContact CB-CB 4.41Å; I56-D95 HydrophobicContact CD1-CB 3.8Å; I56-D95 HydrophobicContact CG1-CB 3.98Å; F57-D95 PolarHBondContact O-N 3.2Å; Y58-D95 HydrophobicContact CD2-CB 3.7Å; Y58-D95 WeakPolarHBondContact CD2-OD2 3.41Å; Y58-D95 HydrophobicContact CE2-CB 4.15Å; Y58-D95 WeakPolarHBondContact CE2-OD2 2.93Å; V59-D95 PolarHBondContact N-O 3Å; D95-I101 VanDerWaalsContact O-CD1 3.26Å; D95-I101 WeakPolarHBondContact O-CD1 3.38Å; D95-A284 WeakPolarHBondContact OD2-CB 3.38Å
96	E	97.4	Very high	94.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.			trans	-115.9	0.9	-165.1	-62.5	-169.7	-171.9	0	0	113.9	V59 T94 C116 S120 R139 T140 T141 W266	V59-E96 HydrophobicContact CG1-CG 4.16Å; V59-E96 HydrophobicContact CG2-CB 4.28Å; V59-E96 HydrophobicContact CG2-CG 3.94Å; T94-E96 PolarHBondContact OG1-OE1 2.96Å; E96-C116 HydrophobicContact CB-CB 4.14Å; E96-C116 HydrophobicContact CG-CB 4.11Å; E96-C116 PolarHBondContact O-SG 2.87Å; E96-C116 WeakPolarHBondContact OE2-CB 3.3Å; E96-S120 WeakPolarHBondContact OE1-CB 3.17Å; E96-S120 PolarHBondContact OE1-OG 3.38Å; E96-R139 WeakPolarHBondContact OE1-CB 3.25Å; E96-R139 VanDerWaalsContact OE1-CG 3.28Å; E96-R139 WeakPolarHBondContact OE1-CG 3.38Å; E96-R139 IonicContact OE1-CZ 3.8Å; E96-R139 IonicContact OE1-NE 3.47Å; E96-R139 PolarHBondContact OE1-NE 3.11Å; E96-R139 IonicContact OE1-NH2 3.5Å; E96-R139 IonicContact OE2-CZ 3.99Å; E96-R139 IonicContact OE2-NE 3.33Å; E96-R139 PolarHBondContact OE2-NE 3.25Å; E96-R139 IonicContact OE2-NH2 2.72Å; E96-R139 PolarHBondContact OE2-NH2 3.28Å; E96-T140 PolarHBondContact N-OG1 3.06Å; E96-T141 HydrophobicContact CB-CG2 3.7Å; E96-T141 VanDerWaalsContact OE2-CG2 3.29Å; E96-T141 WeakPolarHBondContact OE2-CG2 3.37Å; E96-T141 PolarHBondContact OE2-OG1 3.16Å; E96-W266 VanDerWaalsContact O-CD1 3.31Å; E96-W266 PolarHBondContact O-NE1 3.37Å
97	H	95.6	Very high	94.5	Very high	16 Å²	16	31 Å²	31	7%	0.074	16%	0.163	C	C	.	.			trans	-112.2	162.3	178.3	-61.9	135.9	0	0	0	112.4	I101 T140 D283	H97-I101 WeakPolarHBondContact O-CD1 3.18Å; H97-T140 PolarHBondContact CE1-O 3.45Å; H97-T140 VanDerWaalsContact CE1-O 3.24Å; H97-D283 IonicContact CE1-OD2 2.95Å; H97-D283 IonicContact CG-OD2 2.71Å; H97-D283 IonicContact ND1-OD2 2.79Å; H97-D283 PolarHBondContact ND1-OD2 3.48Å
98	G	91.6	Very high	94.3	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.021	16%	0.159	C	C	.	.	S	Bend	trans	118.2	168.3	176.8	0	0	0	0	0	114.3	I101 Q102 W266	G98-I101 PolarHBondContact O-N 3.3Å; G98-Q102 PolarHBondContact O-N 2.91Å; G98-Q102 VanDerWaalsContact O-N 3.15Å; G98-W266 PolarHBondContact N-O 3.36Å
99	L	86.5	Confident	94.3	Very high	22 Å²	22	31.2 Å²	31.2	12%	0.115	19%	0.19	C	C	.	.	H	α-helix	trans	-70.9	-40.2	-169.4	178.6	60.8	0	0	0	111.3	I101 Q102 Q103 T173 E176 L264	L99-I101 PolarHBondContact O-N 3.44Å; L99-Q102 WeakPolarHBondContact O-CB 3.41Å; L99-Q102 PolarHBondContact O-N 3.26Å; L99-Q103 HydrophobicContact CD1-CG 4.16Å; L99-Q103 HydrophobicContact CG-CG 4.35Å; L99-Q103 WeakPolarHBondContact O-CB 3.25Å; L99-Q103 VanDerWaalsContact O-CG 3.31Å; L99-Q103 WeakPolarHBondContact O-CG 3.17Å; L99-Q103 PolarHBondContact O-N 2.78Å; L99-T173 HydrophobicContact CD2-CG2 3.67Å; L99-E176 WeakPolarHBondContact CB-OE1 3.35Å; L99-E176 PolarHBondContact N-OE1 3.27Å; L99-E176 VanDerWaalsContact N-OE1 3.14Å; L99-L264 HydrophobicContact CB-CD1 4.15Å
100	K	85.3	Confident	94.2	Very high	63 Å²	63	30.8 Å²	30.8	27%	0.274	19%	0.191	S	C	.	.	H	α-helix	trans	-58.7	-35.3	176.2	-71.5	166.8	178.4	171.6	0	113	Y58 A104 Q174 E176	Y58-K100 HydrophobicContact CD1-CB 4.44Å; Y58-K100 HydrophobicContact CD1-CD 4.4Å; Y58-K100 HydrophobicContact CE1-CB 4.01Å; Y58-K100 HydrophobicContact CE1-CD 3.95Å; K100-A104 VanDerWaalsContact O-CB 3.26Å; K100-A104 WeakPolarHBondContact O-CB 3.22Å; K100-A104 PolarHBondContact O-N 2.75Å; K100-Q174 WeakPolarHBondContact CE-O 3.41Å; K100-Q174 PolarHBondContact NZ-O 2.89Å; K100-E176 HydrophobicContact CD-CG 4.43Å; K100-E176 HydrophobicContact CG-CG 4.48Å; K100-E176 WeakPolarHBondContact CG-OE1 3.42Å; K100-E176 PolarHBondContact N-OE1 2.8Å
101	I	91.3	Very high	94	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-74.9	-43.6	-179.9	-65.1	175.1	0	0	0	109.7	Y58 V59 N60 D95 H97 G98 L99 Q103 A104 A105 F115 C116	Y58-I101 HydrophobicContact CD1-CD1 4.16Å; Y58-I101 HydrophobicContact CD1-CG1 4.07Å; Y58-I101 HydrophobicContact CE1-CD1 4.26Å; Y58-I101 HydrophobicContact CE1-CG1 4.18Å; Y58-I101 HydrophobicContact CG-CD1 4.45Å; V59-I101 HydrophobicContact CG2-CD1 3.78Å; V59-I101 HydrophobicContact CG2-CG1 4.27Å; V59-I101 HydrophobicContact CG2-CG2 4.17Å; N60-I101 HydrophobicContact CB-CG1 4.47Å; D95-I101 VanDerWaalsContact O-CD1 3.26Å; D95-I101 WeakPolarHBondContact O-CD1 3.38Å; H97-I101 WeakPolarHBondContact O-CD1 3.18Å; G98-I101 PolarHBondContact O-N 3.3Å; L99-I101 PolarHBondContact O-N 3.44Å; I101-Q103 VanDerWaalsContact C-N 3.33Å; I101-Q103 PolarHBondContact O-N 2.81Å; I101-A104 PolarHBondContact O-N 3.17Å; I101-A105 WeakPolarHBondContact O-CB 3.48Å; I101-A105 PolarHBondContact O-N 3.17Å; I101-F115 HydrophobicContact CG2-CD1 4.48Å; I101-C116 WeakPolarHBondContact CG2-SG 3.43Å
102	Q	91.4	Very high	93.9	Very high	16 Å²	16	36 Å²	36	8%	0.075	22%	0.22	C	C	.	.	H	α-helix	trans	-55.1	-50.2	172.9	-164.7	-171.3	-60.7	0	0	111	G98 L99 A104 A105 E106 W266	G98-Q102 PolarHBondContact O-N 2.91Å; G98-Q102 VanDerWaalsContact O-N 3.15Å; L99-Q102 WeakPolarHBondContact O-CB 3.41Å; L99-Q102 PolarHBondContact O-N 3.26Å; Q102-A104 PolarHBondContact O-N 2.99Å; Q102-A105 PolarHBondContact O-N 2.85Å; Q102-E106 WeakPolarHBondContact CG-OE1 3.41Å; Q102-E106 PolarHBondContact NE2-OE1 2.93Å; Q102-E106 WeakPolarHBondContact O-CB 3.21Å; Q102-E106 VanDerWaalsContact O-CG 3.32Å; Q102-E106 WeakPolarHBondContact O-CG 3.31Å; Q102-E106 PolarHBondContact O-N 2.88Å; Q102-W266 HydrophobicContact CB-CB 4.01Å; Q102-W266 HydrophobicContact CG-CB 4.13Å
103	Q	90.3	Very high	93.8	Very high	85 Å²	85	39.7 Å²	39.7	40%	0.397	24%	0.24	S	C	.	.	H	α-helix	trans	-62.6	-39.2	178.1	-71.8	175.1	-14.5	0	0	112.8	L99 I101 A107	L99-Q103 HydrophobicContact CD1-CG 4.16Å; L99-Q103 HydrophobicContact CG-CG 4.35Å; L99-Q103 WeakPolarHBondContact O-CB 3.25Å; L99-Q103 VanDerWaalsContact O-CG 3.31Å; L99-Q103 WeakPolarHBondContact O-CG 3.17Å; L99-Q103 PolarHBondContact O-N 2.78Å; I101-Q103 VanDerWaalsContact C-N 3.33Å; I101-Q103 PolarHBondContact O-N 2.81Å; Q103-A107 VanDerWaalsContact O-CB 3.26Å; Q103-A107 WeakPolarHBondContact O-CB 3.39Å; Q103-A107 PolarHBondContact O-N 2.64Å
104	A	91	Very high	93.8	Very high	22 Å²	22	42.9 Å²	42.9	18%	0.182	26%	0.259	C	S	.	.	H	α-helix	trans	-67.6	-38.8	177.5	0	0	0	0	0	112.1	N60 K100 I101 Q102 A108 F115	N60-A104 HydrophobicContact CB-CB 4.32Å; K100-A104 VanDerWaalsContact O-CB 3.26Å; K100-A104 WeakPolarHBondContact O-CB 3.22Å; K100-A104 PolarHBondContact O-N 2.75Å; I101-A104 PolarHBondContact O-N 3.17Å; Q102-A104 PolarHBondContact O-N 2.99Å; A104-A108 WeakPolarHBondContact O-CB 3.39Å; A104-A108 PolarHBondContact O-N 3.17Å; A104-F115 HydrophobicContact CB-CE1 3.82Å; A104-F115 HydrophobicContact CB-CZ 3.67Å
105	A	94.3	Very high	93.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.7	-45.6	175.2	0	0	0	0	0	111.6	I101 Q102 A107 A108 G109 K110 P112 F115	I101-A105 WeakPolarHBondContact O-CB 3.48Å; I101-A105 PolarHBondContact O-N 3.17Å; Q102-A105 PolarHBondContact O-N 2.85Å; A105-A107 PolarHBondContact O-N 2.85Å; A105-A108 CarbonylContact O-C 3.57Å; A105-A108 PolarHBondContact O-N 2.71Å; A105-A108 VanDerWaalsContact O-N 3.13Å; A105-G109 PolarHBondContact O-N 3.28Å; A105-K110 CarbonylContact C-O 3.5Å; A105-K110 PolarHBondContact O-N 3.03Å; A105-P112 HydrophobicContact CB-CB 4.25Å; A105-P112 HydrophobicContact CB-CG 4.15Å; A105-F115 HydrophobicContact CB-CB 3.75Å; A105-F115 HydrophobicContact CB-CD1 4.02Å; A105-F115 HydrophobicContact CB-CD2 4.46Å; A105-F115 HydrophobicContact CB-CG 3.83Å
106	E	93.6	Very high	93.7	Very high	119 Å²	119	43.7 Å²	43.7	56%	0.556	26%	0.262	S	S	*	.	H	α-helix	trans	-58.2	-47.9	174.3	-74	169.7	-166.6	0	0	111.5	Q102 A108 G109	Q102-E106 WeakPolarHBondContact CG-OE1 3.41Å; Q102-E106 PolarHBondContact NE2-OE1 2.93Å; Q102-E106 WeakPolarHBondContact O-CB 3.21Å; Q102-E106 VanDerWaalsContact O-CG 3.32Å; Q102-E106 WeakPolarHBondContact O-CG 3.31Å; Q102-E106 PolarHBondContact O-N 2.88Å; E106-A108 PolarHBondContact O-N 3.49Å; E106-G109 PolarHBondContact O-N 3.43Å
107	A	93.3	Very high	93.7	Very high	94 Å²	94	46.3 Å²	46.3	78%	0.777	28%	0.279	S	S	*	.	H	α-helix	trans	-63.6	-27.7	177.1	0	0	0	0	0	113	Q103 A105 G109	Q103-A107 VanDerWaalsContact O-CB 3.26Å; Q103-A107 WeakPolarHBondContact O-CB 3.39Å; Q103-A107 PolarHBondContact O-N 2.64Å; A105-A107 PolarHBondContact O-N 2.85Å; A107-G109 VanDerWaalsContact C-N 3.32Å
108	A	93.4	Very high	93.8	Very high	50 Å²	50	49 Å²	49	41%	0.413	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-4.8	173.5	0	0	0	0	0	113.5	A104 A105 E106 K110 F115	A104-A108 WeakPolarHBondContact O-CB 3.39Å; A104-A108 PolarHBondContact O-N 3.17Å; A105-A108 CarbonylContact O-C 3.57Å; A105-A108 PolarHBondContact O-N 2.71Å; A105-A108 VanDerWaalsContact O-N 3.13Å; E106-A108 PolarHBondContact O-N 3.49Å; A108-K110 VanDerWaalsContact C-N 3.31Å; A108-K110 HydrophobicContact CB-CG 4.35Å; A108-K110 PolarHBondContact O-N 2.95Å; A108-F115 HydrophobicContact CB-CD2 3.97Å; A108-F115 HydrophobicContact CB-CE2 4Å
109	G	96.2	Very high	94	Very high	72 Å²	72	49.2 Å²	49.2	74%	0.742	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	31.7	-175.7	0	0	0	0	0	113.4	A105 E106 A107	A105-G109 PolarHBondContact O-N 3.28Å; E106-G109 PolarHBondContact O-N 3.43Å; A107-G109 VanDerWaalsContact C-N 3.32Å
110	K	96.1	Very high	94.5	Very high	79 Å²	79	48.3 Å²	48.3	34%	0.343	29%	0.287	S	S	.	.	S	Bend	trans	-121.5	151.2	-176.4	-64.6	-170.5	-179	-164	0	111.6	A105 A108 F115 E118	A105-K110 CarbonylContact C-O 3.5Å; A105-K110 PolarHBondContact O-N 3.03Å; A108-K110 VanDerWaalsContact C-N 3.31Å; A108-K110 HydrophobicContact CB-CG 4.35Å; A108-K110 PolarHBondContact O-N 2.95Å; K110-F115 HydrophobicContact CB-CB 4.19Å; K110-E118 IonicContact NZ-OE1 3.46Å; K110-E118 PolarHBondContact NZ-OE1 2.97Å; K110-E118 IonicContact NZ-OE2 3.8Å; K110-E118 PolarHBondContact NZ-OE2 3.48Å
111	D	95.9	Very high	95.1	Very high	81 Å²	81	50 Å²	50	43%	0.433	30%	0.296	S	S	.	.			trans	-58.3	137.7	162.9	144.1	-105.7	0	0	0	109.8	L113 T114 F115	D111-L113 VanDerWaalsContact C-N 3.33Å; D111-L113 PolarHBondContact O-N 3.37Å; D111-L113 WeakPolarHBondContact OD1-CB 3.46Å; D111-L113 PolarHBondContact OD1-N 3.21Å; D111-L113 PolarHBondContact OD2-N 2.86Å; D111-T114 PolarHBondContact O-N 3.01Å; D111-T114 WeakPolarHBondContact OD1-CB 3.35Å; D111-T114 PolarHBondContact OD1-N 2.9Å; D111-T114 PolarHBondContact OD1-OG1 3.23Å; D111-F115 PolarHBondContact O-N 3.31Å
112	P	95.8	Very high	95.4	Very high	28 Å²	28	56 Å²	56	18%	0.182	32%	0.319	C	S	.	.	H	α-helix	trans	-54.2	-40.3	179.9	-29.6	36.3	0	0	0	114.9	A105 T114 F115 C116 W266	A105-P112 HydrophobicContact CB-CB 4.25Å; A105-P112 HydrophobicContact CB-CG 4.15Å; P112-T114 PolarHBondContact O-N 3.28Å; P112-F115 PolarHBondContact O-N 3.22Å; P112-C116 WeakPolarHBondContact O-CB 3.46Å; P112-C116 PolarHBondContact O-N 2.78Å; P112-C116 PolarHBondContact O-SG 3.42Å; P112-W266 HydrophobicContact CB-CD2 3.29Å; P112-W266 HydrophobicContact CB-CE3 3.56Å; P112-W266 HydrophobicContact CB-CG 3.77Å; P112-W266 HydrophobicContact CB-CH2 4.08Å; P112-W266 HydrophobicContact CB-CZ2 3.81Å; P112-W266 HydrophobicContact CB-CZ3 3.94Å; P112-W266 HydrophobicContact CG-CD2 4.05Å; P112-W266 HydrophobicContact CG-CE3 4.06Å; P112-W266 HydrophobicContact CG-CG 4.33Å
113	L	96.8	Very high	95.6	Very high	80 Å²	80	55.3 Å²	55.3	42%	0.419	32%	0.316	S	S	.	.	H	α-helix	trans	-65.3	-44	-179.2	-176.3	58.5	0	0	0	111.4	D111 C116 T117 T141 W266	D111-L113 VanDerWaalsContact C-N 3.33Å; D111-L113 PolarHBondContact O-N 3.37Å; D111-L113 WeakPolarHBondContact OD1-CB 3.46Å; D111-L113 PolarHBondContact OD1-N 3.21Å; D111-L113 PolarHBondContact OD2-N 2.86Å; L113-C116 PolarHBondContact O-N 2.82Å; L113-T117 WeakPolarHBondContact O-CB 3.28Å; L113-T117 PolarHBondContact O-N 3.06Å; L113-T117 PolarHBondContact O-OG1 3.15Å; L113-T141 HydrophobicContact CD1-CG2 4.08Å; L113-W266 HydrophobicContact CB-CH2 3.69Å; L113-W266 HydrophobicContact CB-CZ2 4.26Å; L113-W266 HydrophobicContact CD1-CH2 4.25Å; L113-W266 HydrophobicContact CD1-CZ2 4.5Å
114	T	97.4	Very high	95.9	Very high	67 Å²	67	54.3 Å²	54.3	41%	0.411	31%	0.311	S	S	.	.	H	α-helix	trans	-62.1	-47.2	176.8	-57.1	0	0	0	0	110.5	D111 P112 T117 E118	D111-T114 PolarHBondContact O-N 3.01Å; D111-T114 WeakPolarHBondContact OD1-CB 3.35Å; D111-T114 PolarHBondContact OD1-N 2.9Å; D111-T114 PolarHBondContact OD1-OG1 3.23Å; P112-T114 PolarHBondContact O-N 3.28Å; T114-T117 PolarHBondContact O-N 2.95Å; T114-E118 WeakPolarHBondContact O-CG 3.45Å; T114-E118 PolarHBondContact O-N 2.81Å
115	F	97	Very high	96.1	Very high	21 Å²	21	55.8 Å²	55.8	9%	0.092	32%	0.318	C	S	.	.	H	α-helix	trans	-58.6	-49.1	176.3	178.5	-95.5	0	0	0	112	V59 I101 A104 A105 A108 K110 D111 P112 T117 E118 V119	V59-F115 WeakPolarHBondContact O-CE1 3.47Å; I101-F115 HydrophobicContact CG2-CD1 4.48Å; A104-F115 HydrophobicContact CB-CE1 3.82Å; A104-F115 HydrophobicContact CB-CZ 3.67Å; A105-F115 HydrophobicContact CB-CB 3.75Å; A105-F115 HydrophobicContact CB-CD1 4.02Å; A105-F115 HydrophobicContact CB-CD2 4.46Å; A105-F115 HydrophobicContact CB-CG 3.83Å; A108-F115 HydrophobicContact CB-CD2 3.97Å; A108-F115 HydrophobicContact CB-CE2 4Å; K110-F115 HydrophobicContact CB-CB 4.19Å; D111-F115 PolarHBondContact O-N 3.31Å; P112-F115 PolarHBondContact O-N 3.22Å; F115-T117 VanDerWaalsContact C-N 3.34Å; F115-T117 PolarHBondContact O-N 3.04Å; F115-E118 PolarHBondContact O-N 2.85Å; F115-V119 HydrophobicContact CE1-CG2 4.16Å; F115-V119 HydrophobicContact CE2-CG2 4.22Å; F115-V119 HydrophobicContact CZ-CG2 3.99Å; F115-V119 WeakPolarHBondContact O-CG2 3.36Å; F115-V119 PolarHBondContact O-N 2.98Å
116	C	97.5	Very high	96.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-43.7	178.2	-67.3	0	0	0	0	111.8	V59 E96 I101 P112 L113 E118 V119 S120	V59-C116 HydrophobicContact CG2-CB 4Å; E96-C116 HydrophobicContact CB-CB 4.14Å; E96-C116 HydrophobicContact CG-CB 4.11Å; E96-C116 PolarHBondContact O-SG 2.87Å; E96-C116 WeakPolarHBondContact OE2-CB 3.3Å; I101-C116 WeakPolarHBondContact CG2-SG 3.43Å; P112-C116 WeakPolarHBondContact O-CB 3.46Å; P112-C116 PolarHBondContact O-N 2.78Å; P112-C116 PolarHBondContact O-SG 3.42Å; L113-C116 PolarHBondContact O-N 2.82Å; C116-E118 PolarHBondContact O-N 2.81Å; C116-V119 PolarHBondContact O-N 3.18Å; C116-S120 WeakPolarHBondContact O-CB 3.49Å; C116-S120 PolarHBondContact O-N 3.33Å
117	T	97.9	Very high	96.2	Very high	56 Å²	56	50.1 Å²	50.1	34%	0.344	29%	0.292	S	S	.	.	H	α-helix	trans	-60.7	-46	179.4	-59.4	0	0	0	0	111.3	L113 T114 F115 Q121 R139	L113-T117 WeakPolarHBondContact O-CB 3.28Å; L113-T117 PolarHBondContact O-N 3.06Å; L113-T117 PolarHBondContact O-OG1 3.15Å; T114-T117 PolarHBondContact O-N 2.95Å; F115-T117 VanDerWaalsContact C-N 3.34Å; F115-T117 PolarHBondContact O-N 3.04Å; T117-Q121 WeakPolarHBondContact O-CB 3.34Å; T117-Q121 PolarHBondContact O-N 3.37Å; T117-R139 PolarHBondContact OG1-NH2 3.07Å
118	E	96.8	Very high	96.1	Very high	71 Å²	71	49.4 Å²	49.4	33%	0.332	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-44.4	177.9	-72.3	179.4	-167.9	0	0	113	K110 T114 F115 C116 R122	K110-E118 IonicContact NZ-OE1 3.46Å; K110-E118 PolarHBondContact NZ-OE1 2.97Å; K110-E118 IonicContact NZ-OE2 3.8Å; K110-E118 PolarHBondContact NZ-OE2 3.48Å; T114-E118 WeakPolarHBondContact O-CG 3.45Å; T114-E118 PolarHBondContact O-N 2.81Å; F115-E118 PolarHBondContact O-N 2.85Å; C116-E118 PolarHBondContact O-N 2.81Å; E118-R122 WeakPolarHBondContact O-CG 3.28Å; E118-R122 PolarHBondContact O-N 2.98Å
119	V	96.2	Very high	96	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-70.9	-41.2	-178.9	177.8	0	0	0	0	110.5	V59 F115 C116 Q121 R122 F123	V59-V119 HydrophobicContact CB-CB 3.96Å; V59-V119 HydrophobicContact CB-CG1 3.73Å; V59-V119 HydrophobicContact CG1-CB 4.49Å; V59-V119 HydrophobicContact CG1-CG1 4.18Å; V59-V119 WeakPolarHBondContact O-CG1 3.37Å; F115-V119 HydrophobicContact CE1-CG2 4.16Å; F115-V119 HydrophobicContact CE2-CG2 4.22Å; F115-V119 HydrophobicContact CZ-CG2 3.99Å; F115-V119 WeakPolarHBondContact O-CG2 3.36Å; F115-V119 PolarHBondContact O-N 2.98Å; C116-V119 PolarHBondContact O-N 3.18Å; V119-Q121 VanDerWaalsContact C-N 3.32Å; V119-Q121 PolarHBondContact O-N 2.97Å; V119-R122 WeakPolarHBondContact O-CB 3.42Å; V119-R122 PolarHBondContact O-N 3.46Å; V119-F123 HydrophobicContact CG1-CD2 4.21Å; V119-F123 HydrophobicContact CG1-CE2 3.99Å; V119-F123 WeakPolarHBondContact O-CD2 3.15Å; V119-F123 PolarHBondContact O-N 3.07Å
120	S	98	Very high	95.7	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-41.3	176.3	-171.1	0	0	0	0	111.9	T94 E96 C116 R122 F123 E124 Y137	T94-S120 WeakPolarHBondContact OG1-CB 3.48Å; T94-S120 PolarHBondContact OG1-OG 3.2Å; E96-S120 WeakPolarHBondContact OE1-CB 3.17Å; E96-S120 PolarHBondContact OE1-OG 3.38Å; C116-S120 WeakPolarHBondContact O-CB 3.49Å; C116-S120 PolarHBondContact O-N 3.33Å; S120-R122 PolarHBondContact O-N 3.04Å; S120-R122 VanDerWaalsContact O-N 3.17Å; S120-F123 WeakPolarHBondContact O-CB 3.45Å; S120-F123 PolarHBondContact O-N 3.31Å; S120-E124 PolarHBondContact O-N 3.47Å; S120-Y137 PolarHBondContact O-OH 2.73Å; S120-Y137 VanDerWaalsContact OG-CE1 3.31Å; S120-Y137 WeakPolarHBondContact OG-CE1 3.44Å; S120-Y137 PolarHBondContact OG-OH 3.23Å
121	Q	97.7	Very high	95.6	Very high	98 Å²	98	45.5 Å²	45.5	46%	0.458	24%	0.243	S	C	.	.	H	α-helix	trans	-57.5	-33.6	174.2	-168.6	63.3	61	0	0	112.5	T117 V119 E124 T125	T117-Q121 WeakPolarHBondContact O-CB 3.34Å; T117-Q121 PolarHBondContact O-N 3.37Å; V119-Q121 VanDerWaalsContact C-N 3.32Å; V119-Q121 PolarHBondContact O-N 2.97Å; Q121-E124 PolarHBondContact NE2-OE2 2.8Å; Q121-T125 VanDerWaalsContact O-CB 3.26Å; Q121-T125 WeakPolarHBondContact O-CB 3.37Å; Q121-T125 PolarHBondContact O-N 3.49Å; Q121-T125 PolarHBondContact O-OG1 3.48Å
122	R	95.9	Very high	95.6	Very high	128 Å²	128	42 Å²	42	48%	0.483	23%	0.225	S	C	.	.	H	α-helix	trans	-69.3	-36.2	176.8	-62.8	175.3	-171.8	-166.3	3.1	112.3	E118 V119 S120 L126	E118-R122 WeakPolarHBondContact O-CG 3.28Å; E118-R122 PolarHBondContact O-N 2.98Å; V119-R122 WeakPolarHBondContact O-CB 3.42Å; V119-R122 PolarHBondContact O-N 3.46Å; S120-R122 PolarHBondContact O-N 3.04Å; S120-R122 VanDerWaalsContact O-N 3.17Å; R122-L126 WeakPolarHBondContact O-CB 3.43Å; R122-L126 PolarHBondContact O-N 2.82Å
123	F	96.6	Very high	95.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-49.8	173.2	-84.8	-95	0	0	0	111	F57 A61 P63 H67 T94 V119 S120 T125 L126 F127 Y137	F57-F123 HydrophobicContact CB-CD1 3.96Å; F57-F123 HydrophobicContact CB-CE1 3.33Å; F57-F123 HydrophobicContact CB-CZ 3.75Å; F57-F123 AromaticContact CD2-CD1 3.91Å; F57-F123 HydrophobicContact CD2-CD1 3.91Å; F57-F123 AromaticContact CD2-CE1 3.96Å; F57-F123 HydrophobicContact CD2-CE1 3.96Å; F57-F123 HydrophobicContact CG-CD1 4.13Å; F57-F123 AromaticContact CG-CE1 3.69Å; F57-F123 HydrophobicContact CG-CE1 3.69Å; A61-F123 WeakPolarHBondContact O-CE2 3.33Å; P63-F123 HydrophobicContact CB-CD1 3.76Å; P63-F123 HydrophobicContact CB-CD2 4.25Å; P63-F123 HydrophobicContact CB-CE1 3.66Å; P63-F123 HydrophobicContact CB-CE2 4.15Å; P63-F123 HydrophobicContact CB-CG 4.06Å; P63-F123 HydrophobicContact CB-CZ 3.86Å; P63-F123 HydrophobicContact CG-CD2 4.4Å; P63-F123 HydrophobicContact CG-CG 4.38Å; H67-F123 HydrophobicContact CB-CE1 3.94Å; H67-F123 AromaticContact CE1-CE1 3.92Å; H67-F123 AromaticContact CE1-CZ 3.76Å; H67-F123 AromaticContact CG-CE1 3.65Å; H67-F123 AromaticContact ND1-CE1 3.35Å; H67-F123 WeakPolarHBondContact ND1-CE1 3.28Å; H67-F123 AromaticContact ND1-CZ 3.59Å; T94-F123 HydrophobicContact CG2-CB 4.27Å; T94-F123 HydrophobicContact CG2-CD2 4.17Å; T94-F123 HydrophobicContact CG2-CG 4.18Å; V119-F123 HydrophobicContact CG1-CD2 4.21Å; V119-F123 HydrophobicContact CG1-CE2 3.99Å; V119-F123 WeakPolarHBondContact O-CD2 3.15Å; V119-F123 PolarHBondContact O-N 3.07Å; S120-F123 WeakPolarHBondContact O-CB 3.45Å; S120-F123 PolarHBondContact O-N 3.31Å; F123-T125 VanDerWaalsContact C-N 3.34Å; F123-T125 PolarHBondContact O-N 2.78Å; F123-L126 WeakPolarHBondContact O-CB 3.48Å; F123-L126 PolarHBondContact O-N 3.21Å; F123-F127 HydrophobicContact CB-CE2 4.38Å; F123-F127 HydrophobicContact CD1-CE2 4.28Å; F123-F127 AromaticContact CD1-CZ 3.95Å; F123-F127 HydrophobicContact CD1-CZ 3.95Å; F123-F127 WeakPolarHBondContact O-CD2 3.18Å; F123-F127 VanDerWaalsContact O-CG 3.3Å; F123-F127 WeakPolarHBondContact O-CG 3.31Å; F123-F127 PolarHBondContact O-N 3.33Å; F123-Y137 VanDerWaalsContact CB-OH 3.29Å; F123-Y137 WeakPolarHBondContact CB-OH 3.3Å
124	E	96.9	Very high	95.7	Very high	64 Å²	64	41.6 Å²	41.6	30%	0.299	22%	0.223	S	C	.	.	H	α-helix	trans	-59.6	-45.3	178.1	-169.2	-176.4	-156.1	0	0	111.6	S120 Q121 L126 F127 S128 F134 Y137	S120-E124 PolarHBondContact O-N 3.47Å; Q121-E124 PolarHBondContact NE2-OE2 2.8Å; E124-L126 VanDerWaalsContact C-N 3.33Å; E124-L126 PolarHBondContact O-N 3.12Å; E124-F127 PolarHBondContact O-N 3.36Å; E124-S128 WeakPolarHBondContact O-CB 3.21Å; E124-S128 PolarHBondContact O-N 3.15Å; E124-F134 HydrophobicContact CG-CZ 4.06Å; E124-Y137 HydrophobicContact CB-CD2 4.27Å; E124-Y137 HydrophobicContact CB-CE1 4.48Å; E124-Y137 HydrophobicContact CB-CE2 3.84Å; E124-Y137 HydrophobicContact CG-CD2 4.16Å; E124-Y137 HydrophobicContact CG-CE2 4.24Å; E124-Y137 HydrophobicContact CG-CG 4.49Å
125	T	95.3	Very high	95.7	Very high	54 Å²	54	42 Å²	42	33%	0.331	23%	0.225	S	C	.	.	H	α-helix	trans	-61.8	-41.1	176.7	-56.1	0	0	0	0	111.5	Q121 F123 N129 F360	Q121-T125 VanDerWaalsContact O-CB 3.26Å; Q121-T125 WeakPolarHBondContact O-CB 3.37Å; Q121-T125 PolarHBondContact O-N 3.49Å; Q121-T125 PolarHBondContact O-OG1 3.48Å; F123-T125 VanDerWaalsContact C-N 3.34Å; F123-T125 PolarHBondContact O-N 2.78Å; T125-N129 VanDerWaalsContact O-CB 3.3Å; T125-N129 WeakPolarHBondContact O-CB 3.21Å; T125-N129 VanDerWaalsContact O-CG 3.23Å; T125-N129 PolarHBondContact O-N 2.9Å; T125-F360 HydrophobicContact CG2-CE1 4.2Å; T125-F360 HydrophobicContact CG2-CZ 4.41Å
126	L	93.6	Very high	95.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-49.4	176.3	174.4	61.9	0	0	0	111.2	P63 L68 R122 F123 E124 N129 C130 P359 F360	P63-L126 HydrophobicContact CB-CD2 3.58Å; P63-L126 HydrophobicContact CG-CB 4.31Å; P63-L126 HydrophobicContact CG-CD2 3.76Å; L68-L126 HydrophobicContact CB-CD2 4.49Å; R122-L126 WeakPolarHBondContact O-CB 3.43Å; R122-L126 PolarHBondContact O-N 2.82Å; F123-L126 WeakPolarHBondContact O-CB 3.48Å; F123-L126 PolarHBondContact O-N 3.21Å; E124-L126 VanDerWaalsContact C-N 3.33Å; E124-L126 PolarHBondContact O-N 3.12Å; L126-N129 PolarHBondContact O-N 3.36Å; L126-C130 WeakPolarHBondContact O-CB 3.46Å; L126-C130 PolarHBondContact O-N 3.18Å; L126-C130 PolarHBondContact O-SG 3.34Å; L126-P359 HydrophobicContact CD1-CB 3.8Å; L126-P359 HydrophobicContact CD1-CG 3.62Å; L126-P359 HydrophobicContact CD2-CB 4.26Å; L126-P359 HydrophobicContact CD2-CG 3.5Å; L126-P359 VanDerWaalsContact CD2-CG 3.5Å; L126-P359 HydrophobicContact CG-CG 4.21Å; L126-F360 VanDerWaalsContact CA-CZ 3.46Å; L126-F360 HydrophobicContact CB-CE1 4.11Å; L126-F360 HydrophobicContact CB-CE2 3.87Å; L126-F360 HydrophobicContact CB-CZ 3.48Å; L126-F360 VanDerWaalsContact CB-CZ 3.48Å; L126-F360 HydrophobicContact CD1-CD1 4.21Å; L126-F360 HydrophobicContact CD1-CD2 4.14Å; L126-F360 HydrophobicContact CD1-CE1 4.08Å; L126-F360 HydrophobicContact CD1-CE2 4.01Å; L126-F360 HydrophobicContact CD1-CG 4.25Å; L126-F360 HydrophobicContact CD1-CZ 4Å; L126-F360 HydrophobicContact CG-CE2 4.42Å; L126-F360 HydrophobicContact CG-CZ 4.33Å
127	F	95.5	Very high	95.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-43	-177.9	-65.2	-22.3	0	0	0	111.6	F57 L68 A71 T92 F123 E124 C130 S131 V132 F134 Y137	F57-F127 HydrophobicContact CD2-CE2 4.03Å; F57-F127 AromaticContact CD2-CZ 3.81Å; F57-F127 HydrophobicContact CD2-CZ 3.81Å; F57-F127 AromaticContact CE2-CE2 3.72Å; F57-F127 HydrophobicContact CE2-CE2 3.72Å; F57-F127 AromaticContact CE2-CZ 3.38Å; F57-F127 HydrophobicContact CE2-CZ 3.38Å; F57-F127 HydrophobicContact CZ-CZ 4.17Å; L68-F127 HydrophobicContact CD1-CD1 4.24Å; A71-F127 HydrophobicContact CB-CD1 3.97Å; A71-F127 HydrophobicContact CB-CE1 3.72Å; A71-F127 HydrophobicContact CB-CZ 4.1Å; T92-F127 HydrophobicContact CG2-CD2 4.22Å; T92-F127 HydrophobicContact CG2-CE2 4.46Å; F123-F127 HydrophobicContact CB-CE2 4.38Å; F123-F127 HydrophobicContact CD1-CE2 4.28Å; F123-F127 AromaticContact CD1-CZ 3.95Å; F123-F127 HydrophobicContact CD1-CZ 3.95Å; F123-F127 WeakPolarHBondContact O-CD2 3.18Å; F123-F127 VanDerWaalsContact O-CG 3.3Å; F123-F127 WeakPolarHBondContact O-CG 3.31Å; F123-F127 PolarHBondContact O-N 3.33Å; E124-F127 PolarHBondContact O-N 3.36Å; F127-C130 CarbonylContact O-C 3.56Å; F127-C130 PolarHBondContact O-N 3.42Å; F127-S131 PolarHBondContact O-N 2.81Å; F127-V132 HydrophobicContact CB-CB 3.94Å; F127-V132 HydrophobicContact CB-CG1 4.32Å; F127-V132 HydrophobicContact CB-CG2 4.23Å; F127-V132 HydrophobicContact CD1-CG2 4.42Å; F127-V132 WeakPolarHBondContact O-CB 3.36Å; F127-V132 PolarHBondContact O-N 2.9Å; F127-F134 HydrophobicContact CB-CD1 4.35Å; F127-F134 HydrophobicContact CB-CE1 3.93Å; F127-Y137 HydrophobicContact CD2-CE2 4.16Å; F127-Y137 HydrophobicContact CE2-CE2 4.4Å
128	S	92.5	Very high	95.8	Very high	78 Å²	78	41.1 Å²	41.1	55%	0.545	22%	0.217	S	C	.	.	H	α-helix	trans	-59.7	-50.2	173.7	-176	0	0	0	0	111.6	E124 C130 S131	E124-S128 WeakPolarHBondContact O-CB 3.21Å; E124-S128 PolarHBondContact O-N 3.15Å; S128-C130 VanDerWaalsContact C-N 3.28Å; S128-C130 PolarHBondContact O-N 3.5Å; S128-S131 PolarHBondContact O-N 2.83Å
129	N	90	Very high	95.9	Very high	79 Å²	79	40.2 Å²	40.2	42%	0.422	21%	0.211	S	C	.	.	H	α-helix	trans	-59.9	-38.4	178.4	-75.6	-5.9	0	0	0	112	T125 L126 S131 N368	T125-N129 VanDerWaalsContact O-CB 3.3Å; T125-N129 WeakPolarHBondContact O-CB 3.21Å; T125-N129 VanDerWaalsContact O-CG 3.23Å; T125-N129 PolarHBondContact O-N 2.9Å; L126-N129 PolarHBondContact O-N 3.36Å; N129-S131 PolarHBondContact O-N 3.11Å; N129-N368 PolarHBondContact O-ND2 3.13Å; N129-N368 PolarHBondContact O-OD1 3.21Å; N129-N368 VanDerWaalsContact O-OD1 3.1Å
130	C	90.8	Very high	96	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	14.6	178.1	-66.4	0	0	0	0	114.2	L68 M72 L126 F127 S128 V132 R372	L68-C130 HydrophobicContact CD1-CB 3.69Å; L68-C130 HydrophobicContact CD2-CB 4.44Å; M72-C130 HydrophobicContact CE-CB 4.49Å; L126-C130 WeakPolarHBondContact O-CB 3.46Å; L126-C130 PolarHBondContact O-N 3.18Å; L126-C130 PolarHBondContact O-SG 3.34Å; F127-C130 CarbonylContact O-C 3.56Å; F127-C130 PolarHBondContact O-N 3.42Å; S128-C130 VanDerWaalsContact C-N 3.28Å; S128-C130 PolarHBondContact O-N 3.5Å; C130-V132 VanDerWaalsContact C-N 3.28Å; C130-V132 HydrophobicContact CB-CG2 4.47Å; C130-V132 PolarHBondContact O-N 2.97Å; C130-R372 PolarHBondContact O-NH1 2.81Å
131	S	92.6	Very high	96	Very high	41 Å²	41	41.4 Å²	41.4	29%	0.287	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	35.9	177	-58.5	0	0	0	0	114.3	R79 F127 S128 N129 R372	R79-S131 PolarHBondContact NH2-O 3.43Å; F127-S131 PolarHBondContact O-N 2.81Å; S128-S131 PolarHBondContact O-N 2.83Å; N129-S131 PolarHBondContact O-N 3.11Å; S131-R372 PolarHBondContact O-NH1 3.33Å
132	V	96.6	Very high	96.1	Very high	8 Å²	8	39.2 Å²	39.2	5%	0.048	21%	0.208	C	C	.	.			trans	-78.9	116.6	170.3	177.7	0	0	0	0	108.2	L68 A71 D75 F90 F127 C130 F134	L68-V132 HydrophobicContact CD1-CG2 4.28Å; A71-V132 HydrophobicContact CB-CG1 4.11Å; A71-V132 HydrophobicContact CB-CG2 4.22Å; D75-V132 HydrophobicContact CB-CG1 4.16Å; F90-V132 HydrophobicContact CE1-CG1 3.64Å; F90-V132 HydrophobicContact CZ-CG1 4.01Å; F127-V132 HydrophobicContact CB-CB 3.94Å; F127-V132 HydrophobicContact CB-CG1 4.32Å; F127-V132 HydrophobicContact CB-CG2 4.23Å; F127-V132 HydrophobicContact CD1-CG2 4.42Å; F127-V132 WeakPolarHBondContact O-CB 3.36Å; F127-V132 PolarHBondContact O-N 2.9Å; C130-V132 VanDerWaalsContact C-N 3.28Å; C130-V132 HydrophobicContact CB-CG2 4.47Å; C130-V132 PolarHBondContact O-N 2.97Å; V132-F134 HydrophobicContact CG1-CD1 4.14Å; V132-F134 PolarHBondContact O-N 2.62Å
133	S	96	Very high	96.2	Very high	49 Å²	49	38.5 Å²	38.5	34%	0.343	21%	0.21	S	C	.	.			trans	-96.5	61.8	-172.4	-178.5	0	0	0	0	111.9	D75 H78 F90	D75-S133 WeakPolarHBondContact OD1-CB 3.29Å; D75-S133 PolarHBondContact OD1-N 3.48Å; H78-S133 PolarHBondContact CD2-O 3.2Å; H78-S133 PolarHBondContact NE2-O 3.26Å; F90-S133 WeakPolarHBondContact CD1-O 3.27Å
134	F	97.9	Very high	96.2	Very high	49 Å²	49	41.9 Å²	41.9	22%	0.215	22%	0.223	C	C	.	.			trans	-70.7	149.9	173.9	59.4	-96.1	0	0	0	111.8	F90 T92 E124 F127 V132 Y137	F90-F134 VanDerWaalsContact CD1-CA 3.44Å; F90-F134 HydrophobicContact CD1-CB 3.91Å; F90-F134 HydrophobicContact CE1-CB 3.96Å; F90-F134 HydrophobicContact CG-CB 4.31Å; F90-F134 HydrophobicContact CZ-CB 4.42Å; T92-F134 HydrophobicContact CG2-CB 3.64Å; T92-F134 HydrophobicContact CG2-CD1 3.68Å; T92-F134 HydrophobicContact CG2-CD2 4.18Å; T92-F134 HydrophobicContact CG2-CE1 4.39Å; T92-F134 HydrophobicContact CG2-CG 3.55Å; E124-F134 HydrophobicContact CG-CZ 4.06Å; F127-F134 HydrophobicContact CB-CD1 4.35Å; F127-F134 HydrophobicContact CB-CE1 3.93Å; V132-F134 HydrophobicContact CG1-CD1 4.14Å; V132-F134 PolarHBondContact O-N 2.62Å; F134-Y137 HydrophobicContact CE1-CD2 4.39Å; F134-Y137 HydrophobicContact CE2-CD2 4.15Å; F134-Y137 HydrophobicContact CE2-CG 4.33Å; F134-Y137 HydrophobicContact CZ-CD2 4.02Å
135	T	98.1	Very high	96.3	Very high	75 Å²	75	38.8 Å²	38.8	46%	0.46	21%	0.209	S	C	.	.	S	Bend	trans	-98.1	-19.3	178.5	59	0	0	0	0	113.1	F90	F90-T135 PolarHBondContact N-OG1 2.81Å; F90-T135 PolarHBondContact O-N 2.85Å; F90-T135 PolarHBondContact O-OG1 2.88Å
136	D	98.3	Very high	96.5	Very high	34 Å²	34	40.7 Å²	40.7	18%	0.182	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	137.6	174.9	-167.2	-65.6	0	0	0	108.7	F90 T92 R144 V291	F90-D136 PolarHBondContact O-N 3.2Å; T92-D136 PolarHBondContact N-O 3.39Å; T92-D136 VanDerWaalsContact N-O 3.15Å; D136-R144 IonicContact OD1-CZ 2.64Å; D136-R144 IonicContact OD1-NH1 3.32Å; D136-R144 PolarHBondContact OD1-NH1 3.04Å; D136-R144 IonicContact OD1-NH2 3.17Å; D136-R144 PolarHBondContact OD1-NH2 2.66Å; D136-R144 IonicContact OD2-CZ 2.69Å; D136-R144 IonicContact OD2-NH1 3.78Å; D136-R144 PolarHBondContact OD2-NH1 3.3Å; D136-R144 IonicContact OD2-NH2 3.71Å; D136-R144 PolarHBondContact OD2-NH2 3.17Å; D136-V291 HydrophobicContact CB-CG1 3.52Å
137	Y	98.5	Very high	96.7	Very high	25 Å²	25	47.5 Å²	47.5	10%	0.098	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	106.8	173.1	-171	-80	0	0	0	108.1	T92 T94 S120 F123 E124 F127 F134 R139	T92-Y137 HydrophobicContact CG2-CD2 3.77Å; T92-Y137 HydrophobicContact CG2-CE2 4.34Å; T92-Y137 CarbonylContact O-C 3.3Å; T92-Y137 VanDerWaalsContact O-CA 3.29Å; T92-Y137 WeakPolarHBondContact O-CA 3.48Å; T94-Y137 VanDerWaalsContact CG2-OH 3.29Å; T94-Y137 WeakPolarHBondContact CG2-OH 3.38Å; S120-Y137 PolarHBondContact O-OH 2.73Å; S120-Y137 VanDerWaalsContact OG-CE1 3.31Å; S120-Y137 WeakPolarHBondContact OG-CE1 3.44Å; S120-Y137 PolarHBondContact OG-OH 3.23Å; F123-Y137 VanDerWaalsContact CB-OH 3.29Å; F123-Y137 WeakPolarHBondContact CB-OH 3.3Å; E124-Y137 HydrophobicContact CB-CD2 4.27Å; E124-Y137 HydrophobicContact CB-CE1 4.48Å; E124-Y137 HydrophobicContact CB-CE2 3.84Å; E124-Y137 HydrophobicContact CG-CD2 4.16Å; E124-Y137 HydrophobicContact CG-CE2 4.24Å; E124-Y137 HydrophobicContact CG-CG 4.49Å; F127-Y137 HydrophobicContact CD2-CE2 4.16Å; F127-Y137 HydrophobicContact CE2-CE2 4.4Å; F134-Y137 HydrophobicContact CE1-CD2 4.39Å; F134-Y137 HydrophobicContact CE2-CD2 4.15Å; F134-Y137 HydrophobicContact CE2-CG 4.33Å; F134-Y137 HydrophobicContact CZ-CD2 4.02Å; Y137-R139 HydrophobicContact CD1-CG 4.3Å; Y137-R139 HydrophobicContact CE1-CG 4.03Å
138	I	98.6	Very high	96.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	137.1	-176.1	-175.6	67	0	0	0	111.4	I56 T92 G93 T94 R144 H145 N287 T290 V291	I56-I138 HydrophobicContact CG2-CG2 3.71Å; T92-I138 PolarHBondContact O-N 3.16Å; G93-I138 CarbonylContact C-O 3.44Å; G93-I138 WeakPolarHBondContact CA-O 3.39Å; T94-I138 PolarHBondContact N-O 2.99Å; I138-R144 HydrophobicContact CD1-CG 4.45Å; I138-R144 VanDerWaalsContact CD1-CZ 3.46Å; I138-R144 VanDerWaalsContact CD1-NH2 3.27Å; I138-H145 HydrophobicContact CD1-CB 4.31Å; I138-N287 HydrophobicContact CG1-CB 4.44Å; I138-N287 HydrophobicContact CG2-CB 4.22Å; I138-T290 HydrophobicContact CD1-CG2 3.91Å; I138-V291 HydrophobicContact CB-CG2 3.78Å; I138-V291 HydrophobicContact CG1-CG2 4.29Å; I138-V291 HydrophobicContact CG2-CG2 3.94Å
139	R	98.7	Very high	97.1	Very high	52 Å²	52	43.9 Å²	43.9	20%	0.196	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	132.6	165.4	-58.1	175.5	56	-159.2	-8.1	109.5	E96 T117 Y137 T141 E142	E96-R139 WeakPolarHBondContact OE1-CB 3.25Å; E96-R139 VanDerWaalsContact OE1-CG 3.28Å; E96-R139 WeakPolarHBondContact OE1-CG 3.38Å; E96-R139 IonicContact OE1-CZ 3.8Å; E96-R139 IonicContact OE1-NE 3.47Å; E96-R139 PolarHBondContact OE1-NE 3.11Å; E96-R139 IonicContact OE1-NH2 3.5Å; E96-R139 IonicContact OE2-CZ 3.99Å; E96-R139 IonicContact OE2-NE 3.33Å; E96-R139 PolarHBondContact OE2-NE 3.25Å; E96-R139 IonicContact OE2-NH2 2.72Å; E96-R139 PolarHBondContact OE2-NH2 3.28Å; T117-R139 PolarHBondContact OG1-NH2 3.07Å; Y137-R139 HydrophobicContact CD1-CG 4.3Å; Y137-R139 HydrophobicContact CE1-CG 4.03Å; R139-T141 PolarHBondContact NH2-OG1 3.34Å; R139-T141 PolarHBondContact O-N 2.95Å; R139-T141 VanDerWaalsContact O-N 3.16Å; R139-E142 HydrophobicContact CB-CG 4.08Å; R139-E142 PolarHBondContact N-OE1 3.13Å; R139-E142 WeakPolarHBondContact O-CB 3.28Å; R139-E142 WeakPolarHBondContact O-CG 3.48Å; R139-E142 PolarHBondContact O-N 3.19Å
140	T	98.5	Very high	97.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.5	-178.5	59.2	0	0	0	0	113.5	I56 T94 E96 H97 E142 H145	I56-T140 HydrophobicContact CD1-CG2 3.41Å; I56-T140 VanDerWaalsContact CD1-CG2 3.41Å; T94-T140 PolarHBondContact O-N 3.18Å; E96-T140 PolarHBondContact N-OG1 3.06Å; H97-T140 PolarHBondContact CE1-O 3.45Å; H97-T140 VanDerWaalsContact CE1-O 3.24Å; T140-E142 PolarHBondContact O-N 2.96Å; T140-H145 VanDerWaalsContact CA-CD2 3.41Å; T140-H145 WeakPolarHBondContact CA-CD2 3.11Å; T140-H145 PolarHBondContact O-CD2 2.73Å
141	T	98.1	Very high	97.9	Very high	35 Å²	35	46.3 Å²	46.3	22%	0.215	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-9.8	171.6	49	0	0	0	0	114.1	E96 L113 R139 W266	E96-T141 HydrophobicContact CB-CG2 3.7Å; E96-T141 VanDerWaalsContact OE2-CG2 3.29Å; E96-T141 WeakPolarHBondContact OE2-CG2 3.37Å; E96-T141 PolarHBondContact OE2-OG1 3.16Å; L113-T141 HydrophobicContact CD1-CG2 4.08Å; R139-T141 PolarHBondContact NH2-OG1 3.34Å; R139-T141 PolarHBondContact O-N 2.95Å; R139-T141 VanDerWaalsContact O-N 3.16Å; T141-W266 HydrophobicContact CG2-CH2 4.45Å; T141-W266 HydrophobicContact CG2-CZ2 3.83Å
142	E	98.4	Very high	98.2	Very high	53 Å²	53	44.4 Å²	44.4	25%	0.248	21%	0.205	C	C	.	.	S	Bend	trans	-70.8	141.6	-178.3	-72.2	174.5	-133.3	0	0	113.3	R139 T140 R144 H145 R146	R139-E142 HydrophobicContact CB-CG 4.08Å; R139-E142 PolarHBondContact N-OE1 3.13Å; R139-E142 WeakPolarHBondContact O-CB 3.28Å; R139-E142 WeakPolarHBondContact O-CG 3.48Å; R139-E142 PolarHBondContact O-N 3.19Å; T140-E142 PolarHBondContact O-N 2.96Å; E142-R144 HydrophobicContact CB-CG 4.1Å; E142-R144 PolarHBondContact O-N 3.32Å; E142-R144 VanDerWaalsContact O-N 3.15Å; E142-R144 IonicContact OE1-NH2 2.62Å; E142-R144 IonicContact OE2-CZ 3.74Å; E142-R144 IonicContact OE2-NE 2.86Å; E142-R144 PolarHBondContact OE2-NE 3.09Å; E142-R144 IonicContact OE2-NH2 3.88Å; E142-R144 PolarHBondContact OE2-NH2 3.21Å; E142-H145 WeakPolarHBondContact O-CB 3.2Å; E142-H145 PolarHBondContact O-N 2.86Å; E142-R146 PolarHBondContact O-N 3.33Å
143	Q	98.1	Very high	98.3	Very high	112 Å²	112	44.2 Å²	44.2	52%	0.523	20%	0.204	S	C	.	.	H	α-helix	trans	-61	-28.9	178.8	-169.9	59.4	30.8	0	0	113.3	H145 R147	Q143-H145 VanDerWaalsContact C-N 3.33Å; Q143-R147 WeakPolarHBondContact O-CG 3.36Å; Q143-R147 PolarHBondContact O-N 3.07Å
144	R	98	Very high	98.4	Very high	71 Å²	71	44 Å²	44	27%	0.268	20%	0.202	S	C	.	.	H	α-helix	trans	-65.6	-37.5	173.9	64.7	169.3	176.5	151.6	-0.8	112	D136 I138 E142 A148 T290	D136-R144 IonicContact OD1-CZ 2.64Å; D136-R144 IonicContact OD1-NH1 3.32Å; D136-R144 PolarHBondContact OD1-NH1 3.04Å; D136-R144 IonicContact OD1-NH2 3.17Å; D136-R144 PolarHBondContact OD1-NH2 2.66Å; D136-R144 IonicContact OD2-CZ 2.69Å; D136-R144 IonicContact OD2-NH1 3.78Å; D136-R144 PolarHBondContact OD2-NH1 3.3Å; D136-R144 IonicContact OD2-NH2 3.71Å; D136-R144 PolarHBondContact OD2-NH2 3.17Å; I138-R144 HydrophobicContact CD1-CG 4.45Å; I138-R144 VanDerWaalsContact CD1-CZ 3.46Å; I138-R144 VanDerWaalsContact CD1-NH2 3.27Å; E142-R144 HydrophobicContact CB-CG 4.1Å; E142-R144 PolarHBondContact O-N 3.32Å; E142-R144 VanDerWaalsContact O-N 3.15Å; E142-R144 IonicContact OE1-NH2 2.62Å; E142-R144 IonicContact OE2-CZ 3.74Å; E142-R144 IonicContact OE2-NE 2.86Å; E142-R144 PolarHBondContact OE2-NE 3.09Å; E142-R144 IonicContact OE2-NH2 3.88Å; E142-R144 PolarHBondContact OE2-NH2 3.21Å; R144-A148 PolarHBondContact O-N 3.1Å; R144-T290 HydrophobicContact CB-CG2 4.4Å; R144-T290 HydrophobicContact CG-CG2 3.93Å
145	H	98.6	Very high	98.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-72.8	-46.6	178.7	-173.1	55.2	0	0	0	111.3	I138 T140 E142 Q143 R147 A148 V149 D283 N287 T290	I138-H145 HydrophobicContact CD1-CB 4.31Å; T140-H145 VanDerWaalsContact CA-CD2 3.41Å; T140-H145 WeakPolarHBondContact CA-CD2 3.11Å; T140-H145 PolarHBondContact O-CD2 2.73Å; E142-H145 WeakPolarHBondContact O-CB 3.2Å; E142-H145 PolarHBondContact O-N 2.86Å; Q143-H145 VanDerWaalsContact C-N 3.33Å; H145-R147 VanDerWaalsContact C-N 3.29Å; H145-R147 PolarHBondContact O-N 3.31Å; H145-A148 WeakPolarHBondContact O-CA 3.23Å; H145-A148 WeakPolarHBondContact O-CB 3.48Å; H145-A148 PolarHBondContact O-N 2.65Å; H145-V149 WeakPolarHBondContact O-CG2 3.17Å; H145-V149 PolarHBondContact O-N 2.79Å; H145-D283 IonicContact CD2-OD1 3.31Å; H145-D283 PolarHBondContact CD2-OD1 3.48Å; H145-D283 PolarHBondContact CE1-O 3.04Å; H145-D283 IonicContact CE1-OD1 2.88Å; H145-D283 PolarHBondContact NE2-O 3.28Å; H145-D283 VanDerWaalsContact NE2-O 3.17Å; H145-D283 IonicContact NE2-OD1 3.11Å; H145-D283 PolarHBondContact NE2-OD1 2.72Å; H145-N287 PolarHBondContact CE1-N 3.17Å; H145-N287 VanDerWaalsContact CE1-N 3.3Å; H145-T290 HydrophobicContact CB-CG2 3.97Å; H145-T290 PolarHBondContact ND1-OG1 3.23Å
146	R	98.2	Very high	98.4	Very high	94 Å²	94	39.7 Å²	39.7	36%	0.355	18%	0.179	S	C	.	.	H	α-helix	trans	-52	-47.7	175.6	179.3	174.5	171.5	172	1.8	112.6	E142 A148 V149 E150 I268	E142-R146 PolarHBondContact O-N 3.33Å; R146-A148 VanDerWaalsContact C-N 3.33Å; R146-A148 PolarHBondContact O-N 3.48Å; R146-V149 PolarHBondContact O-N 3.31Å; R146-E150 HydrophobicContact CG-CG 4.29Å; R146-E150 IonicContact CZ-OE1 3.15Å; R146-E150 IonicContact NE-OE1 2.61Å; R146-E150 PolarHBondContact NE-OE1 3.41Å; R146-E150 IonicContact NH2-OE1 3.8Å; R146-E150 PolarHBondContact NH2-OE1 2.68Å; R146-E150 VanDerWaalsContact NH2-OE1 3.11Å; R146-E150 WeakPolarHBondContact O-CB 3.49Å; R146-E150 VanDerWaalsContact O-CG 3.31Å; R146-E150 WeakPolarHBondContact O-CG 3.2Å; R146-E150 PolarHBondContact O-N 2.8Å; R146-I268 HydrophobicContact CB-CD1 4.43Å; R146-I268 HydrophobicContact CG-CG2 4.18Å
147	R	98.4	Very high	98.4	Very high	143 Å²	143	43.4 Å²	43.4	54%	0.54	19%	0.191	S	C	.	.	H	α-helix	trans	-60.6	-40.7	176.5	-73.5	-173.7	-64	168	2.5	112.7	Q143 H145 H151	Q143-R147 WeakPolarHBondContact O-CG 3.36Å; Q143-R147 PolarHBondContact O-N 3.07Å; H145-R147 VanDerWaalsContact C-N 3.29Å; H145-R147 PolarHBondContact O-N 3.31Å; R147-H151 VanDerWaalsContact O-CB 3.29Å; R147-H151 WeakPolarHBondContact O-CB 3.06Å; R147-H151 PolarHBondContact O-N 3.33Å
148	A	98.6	Very high	98.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.7	-44.6	177.1	0	0	0	0	0	111.6	R144 H145 R146 H151 F152 V286 T290 Y294	R144-A148 PolarHBondContact O-N 3.1Å; H145-A148 WeakPolarHBondContact O-CA 3.23Å; H145-A148 WeakPolarHBondContact O-CB 3.48Å; H145-A148 PolarHBondContact O-N 2.65Å; R146-A148 VanDerWaalsContact C-N 3.33Å; R146-A148 PolarHBondContact O-N 3.48Å; A148-H151 PolarHBondContact O-N 3.16Å; A148-F152 VanDerWaalsContact O-CB 3.27Å; A148-F152 WeakPolarHBondContact O-CB 3.41Å; A148-F152 PolarHBondContact O-N 3.02Å; A148-V286 HydrophobicContact CB-CG1 3.9Å; A148-T290 HydrophobicContact CB-CG2 4.48Å; A148-T290 VanDerWaalsContact CB-OG1 3.31Å; A148-T290 WeakPolarHBondContact CB-OG1 3.24Å; A148-Y294 HydrophobicContact CB-CD1 4.03Å
149	V	98.8	Very high	98.4	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-66.1	-47.5	178.7	175.5	0	0	0	0	111.4	H145 R146 H151 F152 W153 I268 I278 V286	H145-V149 WeakPolarHBondContact O-CG2 3.17Å; H145-V149 PolarHBondContact O-N 2.79Å; R146-V149 PolarHBondContact O-N 3.31Å; V149-H151 VanDerWaalsContact C-N 3.3Å; V149-H151 PolarHBondContact O-N 3.36Å; V149-F152 PolarHBondContact O-N 3.36Å; V149-W153 WeakPolarHBondContact O-CB 3.4Å; V149-W153 PolarHBondContact O-N 2.99Å; V149-I268 HydrophobicContact CB-CD1 3.86Å; V149-I268 HydrophobicContact CG1-CD1 3.93Å; V149-I268 HydrophobicContact CG2-CD1 3.91Å; V149-I278 HydrophobicContact CG1-CD1 3.73Å; V149-I278 HydrophobicContact CG1-CG2 4.26Å; V149-V286 HydrophobicContact CG2-CB 3.89Å; V149-V286 HydrophobicContact CG2-CG1 3.84Å; V149-V286 HydrophobicContact CG2-CG2 4.49Å
150	E	98.4	Very high	98.3	Very high	50 Å²	50	52.8 Å²	52.8	23%	0.234	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-43.4	177.4	-71.9	173.1	165.6	0	0	110.9	R146 W153 S154 I268 P271	R146-E150 HydrophobicContact CG-CG 4.29Å; R146-E150 IonicContact CZ-OE1 3.15Å; R146-E150 IonicContact NE-OE1 2.61Å; R146-E150 PolarHBondContact NE-OE1 3.41Å; R146-E150 IonicContact NH2-OE1 3.8Å; R146-E150 PolarHBondContact NH2-OE1 2.68Å; R146-E150 VanDerWaalsContact NH2-OE1 3.11Å; R146-E150 WeakPolarHBondContact O-CB 3.49Å; R146-E150 VanDerWaalsContact O-CG 3.31Å; R146-E150 WeakPolarHBondContact O-CG 3.2Å; R146-E150 PolarHBondContact O-N 2.8Å; E150-W153 WeakPolarHBondContact O-CB 3.33Å; E150-W153 PolarHBondContact O-N 3.33Å; E150-S154 PolarHBondContact O-N 3.17Å; E150-S154 PolarHBondContact O-OG 3.42Å; E150-I268 HydrophobicContact CG-CG2 4.25Å; E150-P271 HydrophobicContact CB-CG 4.12Å; E150-P271 HydrophobicContact CG-CG 4.14Å
151	H	98.6	Very high	98.3	Very high	81 Å²	81	53.3 Å²	53.3	38%	0.375	25%	0.254	S	S	.	.	H	α-helix	trans	-64.3	-46.5	175.1	-177.9	87.6	0	0	0	112.1	R147 A148 V149 W153 S154 V155 Y294 P295	R147-H151 VanDerWaalsContact O-CB 3.29Å; R147-H151 WeakPolarHBondContact O-CB 3.06Å; R147-H151 PolarHBondContact O-N 3.33Å; A148-H151 PolarHBondContact O-N 3.16Å; V149-H151 VanDerWaalsContact C-N 3.3Å; V149-H151 PolarHBondContact O-N 3.36Å; H151-W153 VanDerWaalsContact C-N 3.31Å; H151-W153 PolarHBondContact O-N 3.24Å; H151-S154 PolarHBondContact O-N 3.27Å; H151-V155 WeakPolarHBondContact O-CG2 3.25Å; H151-V155 PolarHBondContact O-N 2.63Å; H151-Y294 AromaticContact CD2-CE1 3.75Å; H151-Y294 AromaticContact CD2-CZ 3.71Å; H151-Y294 PolarHBondContact CD2-OH 3.02Å; H151-P295 HydrophobicContact CB-CG 4.31Å; H151-P295 VanDerWaalsContact CD2-CB 3.47Å; H151-P295 WeakPolarHBondContact CD2-CB 2.86Å
152	F	98.7	Very high	98.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-42.5	178.7	-164.5	-87.6	0	0	0	111.6	A148 V149 V155 L156 L282 V286 L289 Y294 W321 F324 A328 L330	A148-F152 VanDerWaalsContact O-CB 3.27Å; A148-F152 WeakPolarHBondContact O-CB 3.41Å; A148-F152 PolarHBondContact O-N 3.02Å; V149-F152 PolarHBondContact O-N 3.36Å; F152-V155 PolarHBondContact O-N 3.28Å; F152-L156 HydrophobicContact CD1-CD1 3.98Å; F152-L156 HydrophobicContact CD1-CG 4.29Å; F152-L156 HydrophobicContact CE1-CD1 3.68Å; F152-L156 HydrophobicContact CE1-CG 4.14Å; F152-L156 PolarHBondContact O-N 2.95Å; F152-L282 HydrophobicContact CD1-CD1 3.97Å; F152-L282 HydrophobicContact CE1-CD1 3.84Å; F152-V286 HydrophobicContact CB-CG2 4.03Å; F152-V286 HydrophobicContact CD1-CG2 3.84Å; F152-V286 HydrophobicContact CD2-CG2 4.08Å; F152-V286 HydrophobicContact CE1-CG2 4.28Å; F152-V286 HydrophobicContact CG-CG2 3.72Å; F152-L289 HydrophobicContact CD2-CD1 4.02Å; F152-L289 HydrophobicContact CE2-CD1 3.79Å; F152-Y294 HydrophobicContact CB-CE1 4.18Å; F152-Y294 HydrophobicContact CD2-CE1 4.03Å; F152-Y294 AromaticContact CD2-CZ 3.91Å; F152-W321 HydrophobicContact CE2-CZ3 4.36Å; F152-W321 HydrophobicContact CZ-CZ3 4.04Å; F152-F324 HydrophobicContact CE1-CB 3.92Å; F152-F324 HydrophobicContact CZ-CB 3.9Å; F152-A328 HydrophobicContact CD2-CB 4.31Å; F152-A328 HydrophobicContact CE2-CB 3.6Å; F152-A328 HydrophobicContact CZ-CB 3.74Å; F152-L330 HydrophobicContact CE2-CD1 3.91Å
153	W	98.6	Very high	98.2	Very high	5 Å²	5	52.8 Å²	52.8	2%	0.019	25%	0.246	C	C	.	.	H	α-helix	trans	-56.8	-51.8	172.2	-179.1	-81.9	0	0	0	111.7	V149 E150 H151 V155 L156 W157 I162 Y213 V257 V270 P271 I278 L282	V149-W153 WeakPolarHBondContact O-CB 3.4Å; V149-W153 PolarHBondContact O-N 2.99Å; E150-W153 WeakPolarHBondContact O-CB 3.33Å; E150-W153 PolarHBondContact O-N 3.33Å; H151-W153 VanDerWaalsContact C-N 3.31Å; H151-W153 PolarHBondContact O-N 3.24Å; W153-V155 VanDerWaalsContact C-N 3.26Å; W153-V155 PolarHBondContact O-N 2.82Å; W153-L156 PolarHBondContact O-N 3.07Å; W153-L156 VanDerWaalsContact O-N 3.15Å; W153-W157 WeakPolarHBondContact O-CB 3.29Å; W153-W157 PolarHBondContact O-N 2.92Å; W153-I162 HydrophobicContact CD2-CD1 3.91Å; W153-I162 HydrophobicContact CE3-CD1 3.95Å; W153-I162 HydrophobicContact CG-CD1 4.49Å; W153-I162 HydrophobicContact CH2-CD1 4.27Å; W153-I162 HydrophobicContact CH2-CG2 4.22Å; W153-I162 HydrophobicContact CZ2-CD1 4.22Å; W153-I162 HydrophobicContact CZ2-CG2 3.92Å; W153-I162 HydrophobicContact CZ3-CD1 4.13Å; W153-Y213 HydrophobicContact CH2-CD2 4.2Å; W153-Y213 AromaticContact CH2-CG 3.91Å; W153-Y213 HydrophobicContact CH2-CG 3.91Å; W153-Y213 HydrophobicContact CZ2-CD1 4.07Å; W153-Y213 HydrophobicContact CZ2-CD2 4.02Å; W153-Y213 AromaticContact CZ2-CG 3.72Å; W153-Y213 HydrophobicContact CZ2-CG 3.72Å; W153-V257 HydrophobicContact CH2-CG2 3.95Å; W153-V257 HydrophobicContact CZ3-CB 4.22Å; W153-V257 HydrophobicContact CZ3-CG2 3.9Å; W153-V257 WeakPolarHBondContact CZ3-O 3.31Å; W153-V270 HydrophobicContact CH2-CG1 4.3Å; W153-V270 HydrophobicContact CH2-CG2 3.84Å; W153-V270 HydrophobicContact CZ2-CB 4.32Å; W153-V270 HydrophobicContact CZ2-CG1 3.48Å; W153-V270 VanDerWaalsContact CZ2-CG1 3.48Å; W153-V270 HydrophobicContact CZ2-CG2 3.88Å; W153-V270 HydrophobicContact CZ3-CG2 4.4Å; W153-P271 HydrophobicContact CB-CG 4.37Å; W153-P271 HydrophobicContact CG-CG 4.2Å; W153-I278 HydrophobicContact CB-CD1 4.37Å; W153-I278 HydrophobicContact CD2-CD1 4.21Å; W153-I278 HydrophobicContact CD2-CG1 4.4Å; W153-I278 HydrophobicContact CE3-CD1 3.84Å; W153-I278 HydrophobicContact CE3-CG1 3.78Å; W153-I278 HydrophobicContact CE3-CG2 4.24Å; W153-I278 HydrophobicContact CG-CD1 4.44Å; W153-I278 HydrophobicContact CZ3-CD1 4.5Å; W153-I278 HydrophobicContact CZ3-CG1 3.94Å; W153-I278 HydrophobicContact CZ3-CG2 4.26Å; W153-L282 HydrophobicContact CE3-CD2 3.47Å; W153-L282 VanDerWaalsContact CE3-CD2 3.47Å; W153-L282 HydrophobicContact CZ3-CD2 3.74Å
154	S	98.3	Very high	98	Very high	44 Å²	44	52.2 Å²	52.2	31%	0.308	24%	0.242	S	C	.	.	H	α-helix	trans	-58.3	-37.7	179.2	-63.6	0	0	0	0	112.4	E150 H151 N158	E150-S154 PolarHBondContact O-N 3.17Å; E150-S154 PolarHBondContact O-OG 3.42Å; H151-S154 PolarHBondContact O-N 3.27Å; S154-N158 VanDerWaalsContact O-CB 3.23Å; S154-N158 WeakPolarHBondContact O-CB 3.3Å; S154-N158 PolarHBondContact O-N 3.35Å; S154-N158 PolarHBondContact O-ND2 3.3Å; S154-N158 VanDerWaalsContact O-ND2 3.16Å
155	V	98.4	Very high	97.6	Very high	33 Å²	33	49.7 Å²	49.7	20%	0.2	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-48.4	175.6	172	0	0	0	0	111.3	H151 F152 W153 K159 A328	H151-V155 WeakPolarHBondContact O-CG2 3.25Å; H151-V155 PolarHBondContact O-N 2.63Å; F152-V155 PolarHBondContact O-N 3.28Å; W153-V155 VanDerWaalsContact C-N 3.26Å; W153-V155 PolarHBondContact O-N 2.82Å; V155-K159 HydrophobicContact CG1-CD 4.31Å; V155-K159 WeakPolarHBondContact O-CG 3.47Å; V155-K159 PolarHBondContact O-N 2.93Å; V155-A328 HydrophobicContact CG1-CB 4.28Å
156	L	98.6	Very high	96.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.7	-41	179.8	-64.5	-176.4	0	0	0	112.1	F152 W153 K159 G160 L161 I162 F215 L282 F324 A328	F152-L156 HydrophobicContact CD1-CD1 3.98Å; F152-L156 HydrophobicContact CD1-CG 4.29Å; F152-L156 HydrophobicContact CE1-CD1 3.68Å; F152-L156 HydrophobicContact CE1-CG 4.14Å; F152-L156 PolarHBondContact O-N 2.95Å; W153-L156 PolarHBondContact O-N 3.07Å; W153-L156 VanDerWaalsContact O-N 3.15Å; L156-K159 PolarHBondContact O-N 2.88Å; L156-G160 PolarHBondContact O-N 3.44Å; L156-L161 HydrophobicContact CD2-CD1 4.05Å; L156-L161 WeakPolarHBondContact O-CB 3.3Å; L156-L161 PolarHBondContact O-N 2.98Å; L156-I162 HydrophobicContact CB-CD1 3.6Å; L156-I162 HydrophobicContact CB-CG1 3.87Å; L156-I162 HydrophobicContact CD1-CD1 4.14Å; L156-F215 HydrophobicContact CD1-CD2 4.28Å; L156-F215 HydrophobicContact CD1-CE2 4.2Å; L156-F215 HydrophobicContact CD2-CE2 4.21Å; L156-L282 HydrophobicContact CD1-CD1 4.23Å; L156-F324 HydrophobicContact CD1-CD1 4.38Å; L156-A328 HydrophobicContact CD2-CB 4.36Å
157	W	98	Very high	95.3	Very high	113 Å²	113	51.6 Å²	51.6	43%	0.428	26%	0.258	S	S	.	.	H	α-helix	trans	-61.1	-50.8	176	178.4	-99.3	0	0	0	112	W153 K159 G160 I162 Y213	W153-W157 WeakPolarHBondContact O-CB 3.29Å; W153-W157 PolarHBondContact O-N 2.92Å; W157-K159 PolarHBondContact O-N 3.36Å; W157-G160 PolarHBondContact O-N 3.21Å; W157-I162 HydrophobicContact CE3-CB 3.91Å; W157-I162 HydrophobicContact CE3-CG2 3.72Å; W157-I162 HydrophobicContact CZ3-CG2 4.08Å; W157-Y213 HydrophobicContact CE3-CD1 4.33Å; W157-Y213 HydrophobicContact CE3-CE1 4.28Å; W157-Y213 HydrophobicContact CH2-CD1 4.47Å; W157-Y213 AromaticContact CH2-CE1 3.86Å; W157-Y213 HydrophobicContact CH2-CE1 3.86Å; W157-Y213 AromaticContact CZ3-CD1 3.69Å; W157-Y213 HydrophobicContact CZ3-CD1 3.69Å; W157-Y213 AromaticContact CZ3-CE1 3.48Å; W157-Y213 HydrophobicContact CZ3-CE1 3.48Å; W157-Y213 VanDerWaalsContact CZ3-CE1 3.48Å
158	N	98	Very high	94.4	Very high	130 Å²	130	49 Å²	49	70%	0.695	25%	0.251	S	S	*	.	H	α-helix	trans	-64.8	-22.4	-178.5	-69.4	-19.3	0	0	0	113	S154 G160	S154-N158 VanDerWaalsContact O-CB 3.23Å; S154-N158 WeakPolarHBondContact O-CB 3.3Å; S154-N158 PolarHBondContact O-N 3.35Å; S154-N158 PolarHBondContact O-ND2 3.3Å; S154-N158 VanDerWaalsContact O-ND2 3.16Å; N158-G160 VanDerWaalsContact C-N 3.31Å
159	K	98.1	Very high	93.5	Very high	105 Å²	105	49.1 Å²	49.1	46%	0.457	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	1	172.7	-74.1	177.4	168	-179.8	0	113.8	V155 L156 W157 L161 G327 A328	V155-K159 HydrophobicContact CG1-CD 4.31Å; V155-K159 WeakPolarHBondContact O-CG 3.47Å; V155-K159 PolarHBondContact O-N 2.93Å; L156-K159 PolarHBondContact O-N 2.88Å; W157-K159 PolarHBondContact O-N 3.36Å; K159-L161 HydrophobicContact CB-CD1 4.02Å; K159-L161 HydrophobicContact CB-CG 4Å; K159-L161 HydrophobicContact CD-CD1 4.37Å; K159-L161 PolarHBondContact O-N 3.28Å; K159-G327 WeakPolarHBondContact CD-O 3.44Å; K159-G327 PolarHBondContact NZ-O 3.03Å; K159-A328 PolarHBondContact NZ-O 3.16Å
160	G	97.7	Very high	92.9	Very high	39 Å²	39	51.7 Å²	51.7	40%	0.402	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	16.9	-177.7	0	0	0	0	0	114.2	L156 W157 N158 R216	L156-G160 PolarHBondContact O-N 3.44Å; W157-G160 PolarHBondContact O-N 3.21Å; N158-G160 VanDerWaalsContact C-N 3.31Å; G160-R216 PolarHBondContact O-NE 2.8Å
161	L	98.3	Very high	92	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.052	25%	0.253	C	S	.	.			trans	-86	-18.7	-179.6	-63	173.5	0	0	0	112.7	W31 L156 K159 F215 R216 F220	W31-L161 HydrophobicContact CH2-CD2 3.92Å; W31-L161 HydrophobicContact CZ2-CD2 4.03Å; L156-L161 HydrophobicContact CD2-CD1 4.05Å; L156-L161 WeakPolarHBondContact O-CB 3.3Å; L156-L161 PolarHBondContact O-N 2.98Å; K159-L161 HydrophobicContact CB-CD1 4.02Å; K159-L161 HydrophobicContact CB-CG 4Å; K159-L161 HydrophobicContact CD-CD1 4.37Å; K159-L161 PolarHBondContact O-N 3.28Å; L161-F215 HydrophobicContact CB-CD2 4.21Å; L161-F215 HydrophobicContact CB-CE2 3.93Å; L161-F215 HydrophobicContact CD1-CE2 4.44Å; L161-F215 WeakPolarHBondContact O-CA 3.17Å; L161-R216 PolarHBondContact O-N 3Å; L161-F220 HydrophobicContact CD1-CZ 4.01Å; L161-F220 HydrophobicContact CD2-CE2 4.14Å; L161-F220 HydrophobicContact CD2-CZ 3.96Å
162	I	98.3	Very high	91.2	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	134.1	168.8	-63.2	175.3	0	0	0	107.9	W153 L156 W157 Y213 M214 F215 V257	W153-I162 HydrophobicContact CD2-CD1 3.91Å; W153-I162 HydrophobicContact CE3-CD1 3.95Å; W153-I162 HydrophobicContact CG-CD1 4.49Å; W153-I162 HydrophobicContact CH2-CD1 4.27Å; W153-I162 HydrophobicContact CH2-CG2 4.22Å; W153-I162 HydrophobicContact CZ2-CD1 4.22Å; W153-I162 HydrophobicContact CZ2-CG2 3.92Å; W153-I162 HydrophobicContact CZ3-CD1 4.13Å; L156-I162 HydrophobicContact CB-CD1 3.6Å; L156-I162 HydrophobicContact CB-CG1 3.87Å; L156-I162 HydrophobicContact CD1-CD1 4.14Å; W157-I162 HydrophobicContact CE3-CB 3.91Å; W157-I162 HydrophobicContact CE3-CG2 3.72Å; W157-I162 HydrophobicContact CZ3-CG2 4.08Å; I162-Y213 HydrophobicContact CG2-CD1 3.84Å; I162-Y213 HydrophobicContact CG2-CG 4.24Å; I162-M214 CarbonylContact C-O 3.59Å; I162-M214 VanDerWaalsContact CA-O 3.28Å; I162-M214 WeakPolarHBondContact CA-O 3.46Å; I162-F215 HydrophobicContact CG1-CD2 4.32Å; I162-V257 HydrophobicContact CD1-CG2 4.31Å; I162-V257 HydrophobicContact CG1-CG2 4.34Å; I162-V257 HydrophobicContact CG2-CG2 4.35Å
163	Y	96	Very high	89.9	Confident	73 Å²	73	47.9 Å²	47.9	29%	0.286	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	158.8	176	69.3	-81.6	0	0	0	110.3	Y213 M214 R216 D254	Y163-Y213 CarbonylContact O-C 3.58Å; Y163-Y213 WeakPolarHBondContact O-CA 3.45Å; Y163-M214 HydrophobicContact CD1-CB 4.13Å; Y163-M214 WeakPolarHBondContact CD1-O 3.46Å; Y163-M214 HydrophobicContact CE1-CB 3.6Å; Y163-M214 HydrophobicContact CE2-CB 4.02Å; Y163-M214 HydrophobicContact CE2-CG 4.31Å; Y163-M214 PolarHBondContact N-O 3.32Å; Y163-M214 PolarHBondContact O-N 2.82Å; Y163-R216 HydrophobicContact CD1-CG 3.87Å; Y163-R216 HydrophobicContact CE1-CG 3.83Å; Y163-D254 PolarHBondContact OH-OD2 3.02Å
164	K	94.2	Very high	88.4	Confident	100 Å²	100	52.8 Å²	52.8	44%	0.435	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	130.4	175.7	-149.7	177.6	-156.5	-164.2	0	109.7	E211 Y213	K164-E211 HydrophobicContact CD-CG 4.09Å; K164-E211 WeakPolarHBondContact CD-OE1 3.34Å; K164-E211 WeakPolarHBondContact CE-OE1 3.43Å; K164-E211 HydrophobicContact CG-CG 3.91Å; K164-E211 IonicContact NZ-OE1 3.85Å; K164-E211 PolarHBondContact NZ-OE1 2.96Å; K164-Y213 HydrophobicContact CB-CE1 4.46Å; K164-Y213 HydrophobicContact CG-CE1 4.44Å
165	G	87.9	Confident	86.8	Confident	17 Å²	17	52.9 Å²	52.9	18%	0.175	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	157.1	178	0	0	0	0	0	111.9	E211 N212	G165-E211 WeakPolarHBondContact O-CA 3.45Å; G165-N212 PolarHBondContact N-O 3.42Å; G165-N212 PolarHBondContact O-N 3.47Å
166	S	78.8	Confident	85.4	Confident	79 Å²	79	51.9 Å²	51.9	55%	0.552	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	118.3	168.4	58.1	0	0	0	0	109.2	E210	S166-E210 CarbonylContact C-O 3.56Å; S166-E210 WeakPolarHBondContact CA-O 3.36Å
167	Y	71.1	Confident	83.9	Confident	56 Å²	56	53.4 Å²	53.4	22%	0.22	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.7	170.4	-166.6	-83.9	0	0	0	109.4	F178 K209 E210 M214	Y167-F178 HydrophobicContact CD1-CB 4.3Å; Y167-F178 AromaticContact CD1-CD1 3.43Å; Y167-F178 HydrophobicContact CD1-CD1 3.43Å; Y167-F178 VanDerWaalsContact CD1-CD1 3.43Å; Y167-F178 AromaticContact CD1-CD2 3.95Å; Y167-F178 HydrophobicContact CD1-CD2 3.95Å; Y167-F178 AromaticContact CD1-CE1 3.53Å; Y167-F178 HydrophobicContact CD1-CE1 3.53Å; Y167-F178 HydrophobicContact CD1-CE2 4.07Å; Y167-F178 AromaticContact CD1-CG 3.63Å; Y167-F178 HydrophobicContact CD1-CG 3.63Å; Y167-F178 AromaticContact CD1-CZ 3.86Å; Y167-F178 HydrophobicContact CD1-CZ 3.86Å; Y167-F178 HydrophobicContact CE1-CB 3.42Å; Y167-F178 VanDerWaalsContact CE1-CB 3.42Å; Y167-F178 AromaticContact CE1-CD1 3.17Å; Y167-F178 HydrophobicContact CE1-CD1 3.17Å; Y167-F178 AromaticContact CE1-CD2 3.93Å; Y167-F178 HydrophobicContact CE1-CD2 3.93Å; Y167-F178 AromaticContact CE1-CE1 3.81Å; Y167-F178 HydrophobicContact CE1-CE1 3.81Å; Y167-F178 HydrophobicContact CE1-CE2 4.48Å; Y167-F178 AromaticContact CE1-CG 3.22Å; Y167-F178 HydrophobicContact CE1-CG 3.22Å; Y167-F178 HydrophobicContact CE1-CZ 4.42Å; Y167-F178 AromaticContact CZ-CG 3.89Å; Y167-F178 WeakPolarHBondContact OH-CB 3.33Å; Y167-K209 WeakPolarHBondContact O-CA 3.08Å; Y167-E210 PolarHBondContact N-O 2.75Å; Y167-E210 PolarHBondContact O-N 2.83Å; Y167-M214 HydrophobicContact CD2-CE 3.77Å; Y167-M214 HydrophobicContact CD2-SD 4.38Å; Y167-M214 HydrophobicContact CE2-CE 4.43Å
168	E	79.3	Confident	82.9	Confident	87 Å²	87	49.5 Å²	49.5	41%	0.407	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.7	174.7	-61.9	-173.7	-151.8	0	0	108.9	W207 M208 K209	E168-W207 HydrophobicContact CB-CZ2 4.09Å; E168-M208 VanDerWaalsContact CA-O 3.3Å; E168-M208 WeakPolarHBondContact CA-O 3.46Å; E168-K209 VanDerWaalsContact CD-CD 3.48Å; E168-K209 HydrophobicContact CG-CB 3.79Å; E168-K209 HydrophobicContact CG-CD 3.82Å; E168-K209 HydrophobicContact CG-CG 3.58Å; E168-K209 WeakPolarHBondContact OE1-CD 3.33Å; E168-K209 WeakPolarHBondContact OE1-CE 3.19Å; E168-K209 IonicContact OE1-NZ 3.21Å; E168-K209 PolarHBondContact OE1-NZ 2.99Å
169	G	80.1	Confident	81.7	Confident	4 Å²	4	43.5 Å²	43.5	4%	0.041	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.4	-179.7	177.3	0	0	0	0	0	114	M208	G169-M208 PolarHBondContact N-O 2.96Å; G169-M208 PolarHBondContact O-N 3.39Å
170	W	84.9	Confident	80.8	Confident	54 Å²	54	41 Å²	41	21%	0.205	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	132.7	173.7	-62.9	107.2	0	0	0	109.8	F178 L179 V184 K196 V205 E206 W207	W170-F178 CarbonylContact O-C 3.53Å; W170-F178 WeakPolarHBondContact O-CA 3.42Å; W170-L179 HydrophobicContact CB-CB 4.36Å; W170-L179 PolarHBondContact O-N 2.84Å; W170-V184 HydrophobicContact CB-CG2 3.71Å; W170-V184 HydrophobicContact CD2-CG1 4.39Å; W170-V184 HydrophobicContact CG-CB 4.38Å; W170-V184 HydrophobicContact CG-CG1 4.34Å; W170-V184 HydrophobicContact CG-CG2 3.76Å; W170-K196 HydrophobicContact CE3-CB 4.17Å; W170-K196 HydrophobicContact CE3-CG 4.33Å; W170-K196 HydrophobicContact CH2-CB 4.33Å; W170-K196 HydrophobicContact CH2-CD 4.29Å; W170-K196 HydrophobicContact CH2-CG 3.62Å; W170-K196 HydrophobicContact CZ2-CD 4.22Å; W170-K196 HydrophobicContact CZ2-CG 4.04Å; W170-K196 HydrophobicContact CZ3-CB 3.96Å; W170-K196 HydrophobicContact CZ3-CG 3.76Å; W170-V205 HydrophobicContact CB-CB 4.26Å; W170-V205 HydrophobicContact CB-CG2 4.04Å; W170-V205 HydrophobicContact CD2-CG2 4.13Å; W170-V205 HydrophobicContact CE3-CG2 3.76Å; W170-V205 HydrophobicContact CG-CG2 4.26Å; W170-E206 CarbonylContact C-O 3.46Å; W170-E206 WeakPolarHBondContact CA-O 3.47Å; W170-W207 AromaticContact CD1-CZ3 3.99Å; W170-W207 AromaticContact CD2-CE3 3.86Å; W170-W207 HydrophobicContact CD2-CE3 3.86Å; W170-W207 AromaticContact CE2-CE3 3.63Å; W170-W207 HydrophobicContact CE3-CB 4.11Å; W170-W207 HydrophobicContact CE3-CE3 4.44Å; W170-W207 HydrophobicContact CG-CE3 4.11Å; W170-W207 HydrophobicContact CG-CZ3 4.47Å; W170-W207 HydrophobicContact CH2-CB 4.22Å; W170-W207 AromaticContact CZ2-CE3 3.99Å; W170-W207 HydrophobicContact CZ2-CE3 3.99Å; W170-W207 HydrophobicContact CZ3-CB 3.88Å; W170-W207 AromaticContact NE1-CE3 3.75Å; W170-W207 AromaticContact NE1-CZ3 3.76Å
171	Y	80.4	Confident	80.1	Confident	10 Å²	10	43.6 Å²	43.6	4%	0.039	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.5	178.3	-173.4	-102.8	0	0	0	110.3	E176 S177 F178 V205 E206 M208 R263	Y171-E176 WeakPolarHBondContact OH-CA 3.39Å; Y171-S177 VanDerWaalsContact CD2-O 3.28Å; Y171-S177 WeakPolarHBondContact CD2-O 3.26Å; Y171-F178 AromaticContact CD2-CD1 3.62Å; Y171-F178 HydrophobicContact CD2-CD1 3.62Å; Y171-F178 AromaticContact CD2-CD2 3.84Å; Y171-F178 HydrophobicContact CD2-CD2 3.84Å; Y171-F178 AromaticContact CD2-CE1 3.65Å; Y171-F178 HydrophobicContact CD2-CE1 3.65Å; Y171-F178 AromaticContact CD2-CE2 3.84Å; Y171-F178 HydrophobicContact CD2-CE2 3.84Å; Y171-F178 AromaticContact CD2-CG 3.73Å; Y171-F178 HydrophobicContact CD2-CG 3.73Å; Y171-F178 AromaticContact CD2-CZ 3.75Å; Y171-F178 HydrophobicContact CD2-CZ 3.75Å; Y171-F178 HydrophobicContact CE2-CD2 4.14Å; Y171-F178 HydrophobicContact CE2-CE2 4.05Å; Y171-F178 HydrophobicContact CE2-CG 4.45Å; Y171-F178 HydrophobicContact CE2-CZ 4.29Å; Y171-F178 HydrophobicContact CG-CD1 4.22Å; Y171-F178 HydrophobicContact CG-CE1 4.08Å; Y171-F178 HydrophobicContact CG-CZ 4.43Å; Y171-V205 VanDerWaalsContact O-CA 3.29Å; Y171-V205 WeakPolarHBondContact O-CA 3.49Å; Y171-E206 PolarHBondContact N-O 3.31Å; Y171-E206 PolarHBondContact O-N 3.28Å; Y171-M208 HydrophobicContact CD1-CE 3.92Å; Y171-M208 HydrophobicContact CD1-SD 3.91Å; Y171-M208 HydrophobicContact CG-CE 4.47Å; Y171-M208 HydrophobicContact CG-SD 4.09Å; Y171-R263 VanDerWaalsContact CD1-NH2 3.34Å
172	S	81.5	Confident	79.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	111.4	169	178.8	0	0	0	0	109.1	Q174 D175 E176 S177	S172-Q174 PolarHBondContact O-N 2.77Å; S172-D175 VanDerWaalsContact CB-OD2 3.23Å; S172-D175 WeakPolarHBondContact CB-OD2 3.32Å; S172-D175 PolarHBondContact O-N 3.49Å; S172-D175 WeakPolarHBondContact OG-CB 3.35Å; S172-D175 PolarHBondContact OG-N 3.35Å; S172-D175 PolarHBondContact OG-OD2 3.49Å; S172-E176 WeakPolarHBondContact O-CA 3.46Å; S172-E176 PolarHBondContact O-N 2.94Å; S172-S177 PolarHBondContact N-O 2.92Å; S172-S177 PolarHBondContact O-N 2.85Å
173	T	71.6	Confident	78.5	Confident	41 Å²	41	51 Å²	51	25%	0.252	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-33.5	173.7	-56.5	0	0	0	0	111.3	L99	L99-T173 HydrophobicContact CD2-CG2 3.67Å
174	Q	66.6	Low	78.2	Confident	109 Å²	109	48.3 Å²	48.3	51%	0.509	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-28.1	-179.7	-65.2	-175.2	1.4	0	0	112.7	K100 S172 H203	K100-Q174 WeakPolarHBondContact CE-O 3.41Å; K100-Q174 PolarHBondContact NZ-O 2.89Å; S172-Q174 PolarHBondContact O-N 2.77Å; Q174-H203 HydrophobicContact CB-CB 4.02Å; Q174-H203 WeakPolarHBondContact CB-ND1 3.32Å; Q174-H203 PolarHBondContact OE1-CD2 3.25Å; Q174-H203 PolarHBondContact OE1-ND1 2.91Å; Q174-H203 PolarHBondContact OE1-NE2 3.24Å
175	D	65.9	Low	78.1	Confident	46 Å²	46	45.3 Å²	45.3	25%	0.246	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-9.1	176.9	-51	-45.2	0	0	0	112.5	S172 S177 S201 H203	S172-D175 VanDerWaalsContact CB-OD2 3.23Å; S172-D175 WeakPolarHBondContact CB-OD2 3.32Å; S172-D175 PolarHBondContact O-N 3.49Å; S172-D175 WeakPolarHBondContact OG-CB 3.35Å; S172-D175 PolarHBondContact OG-N 3.35Å; S172-D175 PolarHBondContact OG-OD2 3.49Å; D175-S177 WeakPolarHBondContact CB-OG 3.22Å; D175-S177 PolarHBondContact O-N 2.93Å; D175-S201 WeakPolarHBondContact OD1-CB 3.28Å; D175-S201 PolarHBondContact OD1-OG 2.77Å; D175-S201 WeakPolarHBondContact OD2-CB 3.34Å; D175-S201 PolarHBondContact OD2-OG 3.43Å; D175-H203 IonicContact OD1-CE1 3.96Å; D175-H203 PolarHBondContact OD1-CE1 3.27Å; D175-H203 IonicContact OD1-CG 3.42Å; D175-H203 IonicContact OD1-ND1 3.56Å; D175-H203 PolarHBondContact OD1-ND1 3.32Å; D175-H203 IonicContact OD2-ND1 3.59Å
176	E	68.6	Low	78.3	Confident	12 Å²	12	49.4 Å²	49.4	6%	0.056	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	52	35.5	-174.2	-65.1	-179.7	160.6	0	0	112.9	Y58 L99 K100 Y171 S172 Y279	Y58-E176 PolarHBondContact OH-OE2 3.4Å; L99-E176 WeakPolarHBondContact CB-OE1 3.35Å; L99-E176 PolarHBondContact N-OE1 3.27Å; L99-E176 VanDerWaalsContact N-OE1 3.14Å; K100-E176 HydrophobicContact CD-CG 4.43Å; K100-E176 HydrophobicContact CG-CG 4.48Å; K100-E176 WeakPolarHBondContact CG-OE1 3.42Å; K100-E176 PolarHBondContact N-OE1 2.8Å; Y171-E176 WeakPolarHBondContact OH-CA 3.39Å; S172-E176 WeakPolarHBondContact O-CA 3.46Å; S172-E176 PolarHBondContact O-N 2.94Å; E176-Y279 PolarHBondContact O-OH 3.37Å
177	S	67.1	Low	78.8	Confident	32 Å²	32	47.3 Å²	47.3	22%	0.224	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	145.6	-172.3	69.3	0	0	0	0	112	Y171 S172 D175	Y171-S177 VanDerWaalsContact CD2-O 3.28Å; Y171-S177 WeakPolarHBondContact CD2-O 3.26Å; S172-S177 PolarHBondContact N-O 2.92Å; S172-S177 PolarHBondContact O-N 2.85Å; D175-S177 WeakPolarHBondContact CB-OG 3.22Å; D175-S177 PolarHBondContact O-N 2.93Å
178	F	75.9	Confident	79.5	Confident	31 Å²	31	50.3 Å²	50.3	14%	0.136	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	141.8	165.3	-73.9	-78.2	0	0	0	109.8	Y167 W170 Y171 M208	Y167-F178 HydrophobicContact CD1-CB 4.3Å; Y167-F178 AromaticContact CD1-CD1 3.43Å; Y167-F178 HydrophobicContact CD1-CD1 3.43Å; Y167-F178 VanDerWaalsContact CD1-CD1 3.43Å; Y167-F178 AromaticContact CD1-CD2 3.95Å; Y167-F178 HydrophobicContact CD1-CD2 3.95Å; Y167-F178 AromaticContact CD1-CE1 3.53Å; Y167-F178 HydrophobicContact CD1-CE1 3.53Å; Y167-F178 HydrophobicContact CD1-CE2 4.07Å; Y167-F178 AromaticContact CD1-CG 3.63Å; Y167-F178 HydrophobicContact CD1-CG 3.63Å; Y167-F178 AromaticContact CD1-CZ 3.86Å; Y167-F178 HydrophobicContact CD1-CZ 3.86Å; Y167-F178 HydrophobicContact CE1-CB 3.42Å; Y167-F178 VanDerWaalsContact CE1-CB 3.42Å; Y167-F178 AromaticContact CE1-CD1 3.17Å; Y167-F178 HydrophobicContact CE1-CD1 3.17Å; Y167-F178 AromaticContact CE1-CD2 3.93Å; Y167-F178 HydrophobicContact CE1-CD2 3.93Å; Y167-F178 AromaticContact CE1-CE1 3.81Å; Y167-F178 HydrophobicContact CE1-CE1 3.81Å; Y167-F178 HydrophobicContact CE1-CE2 4.48Å; Y167-F178 AromaticContact CE1-CG 3.22Å; Y167-F178 HydrophobicContact CE1-CG 3.22Å; Y167-F178 HydrophobicContact CE1-CZ 4.42Å; Y167-F178 AromaticContact CZ-CG 3.89Å; Y167-F178 WeakPolarHBondContact OH-CB 3.33Å; W170-F178 CarbonylContact O-C 3.53Å; W170-F178 WeakPolarHBondContact O-CA 3.42Å; Y171-F178 AromaticContact CD2-CD1 3.62Å; Y171-F178 HydrophobicContact CD2-CD1 3.62Å; Y171-F178 AromaticContact CD2-CD2 3.84Å; Y171-F178 HydrophobicContact CD2-CD2 3.84Å; Y171-F178 AromaticContact CD2-CE1 3.65Å; Y171-F178 HydrophobicContact CD2-CE1 3.65Å; Y171-F178 AromaticContact CD2-CE2 3.84Å; Y171-F178 HydrophobicContact CD2-CE2 3.84Å; Y171-F178 AromaticContact CD2-CG 3.73Å; Y171-F178 HydrophobicContact CD2-CG 3.73Å; Y171-F178 AromaticContact CD2-CZ 3.75Å; Y171-F178 HydrophobicContact CD2-CZ 3.75Å; Y171-F178 HydrophobicContact CE2-CD2 4.14Å; Y171-F178 HydrophobicContact CE2-CE2 4.05Å; Y171-F178 HydrophobicContact CE2-CG 4.45Å; Y171-F178 HydrophobicContact CE2-CZ 4.29Å; Y171-F178 HydrophobicContact CG-CD1 4.22Å; Y171-F178 HydrophobicContact CG-CE1 4.08Å; Y171-F178 HydrophobicContact CG-CZ 4.43Å; F178-M208 HydrophobicContact CE1-CB 4.46Å
179	L	73.9	Confident	79.6	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.5	-177.3	-63	170.8	0	0	0	109.2	W170 Q183 V184 V205	W170-L179 HydrophobicContact CB-CB 4.36Å; W170-L179 PolarHBondContact O-N 2.84Å; L179-Q183 HydrophobicContact CB-CB 4.08Å; L179-Q183 HydrophobicContact CD2-CB 4.15Å; L179-V184 HydrophobicContact CB-CG2 3.87Å; L179-V184 HydrophobicContact CD1-CG2 4.31Å; L179-V205 HydrophobicContact CD1-CG1 3.66Å
180	T	79.3	Confident	79.5	Confident	51 Å²	51	55 Å²	55	31%	0.313	32%	0.316	S	S	.	.			trans	-70.2	158.9	172.4	59.6	0	0	0	0	110.4	S182 Q183	T180-S182 PolarHBondContact O-N 2.68Å; T180-S182 VanDerWaalsContact O-N 3.12Å; T180-S182 PolarHBondContact OG1-OG 3.49Å; T180-Q183 WeakPolarHBondContact O-CB 3.29Å; T180-Q183 PolarHBondContact O-N 3.47Å; T180-Q183 VanDerWaalsContact OG1-CD 3.29Å; T180-Q183 VanDerWaalsContact OG1-CG 3.28Å; T180-Q183 WeakPolarHBondContact OG1-CG 3.39Å; T180-Q183 PolarHBondContact OG1-OE1 2.94Å
181	P	82.7	Confident	79.4	Confident	95 Å²	95	57.1 Å²	57.1	62%	0.617	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-53.9	-31.7	174.8	-27.8	36	0	0	0	113.9	Q183	P181-Q183 VanDerWaalsContact C-N 3.26Å; P181-Q183 PolarHBondContact O-N 3.24Å
182	S	82.1	Confident	79.5	Confident	97 Å²	97	59.1 Å²	59.1	68%	0.678	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-72.5	-12.9	175.8	42.1	0	0	0	0	114.7	T180 L199	T180-S182 PolarHBondContact O-N 2.68Å; T180-S182 VanDerWaalsContact O-N 3.12Å; T180-S182 PolarHBondContact OG1-OG 3.49Å; S182-L199 VanDerWaalsContact O-CD1 3.3Å; S182-L199 WeakPolarHBondContact O-CD1 3.39Å
183	Q	80.6	Confident	79.8	Confident	73 Å²	73	65.9 Å²	65.9	34%	0.341	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-99.9	8.5	-180	-71	170.3	-55.5	0	0	112.7	L179 T180 P181 L199	L179-Q183 HydrophobicContact CB-CB 4.08Å; L179-Q183 HydrophobicContact CD2-CB 4.15Å; T180-Q183 WeakPolarHBondContact O-CB 3.29Å; T180-Q183 PolarHBondContact O-N 3.47Å; T180-Q183 VanDerWaalsContact OG1-CD 3.29Å; T180-Q183 VanDerWaalsContact OG1-CG 3.28Å; T180-Q183 WeakPolarHBondContact OG1-CG 3.39Å; T180-Q183 PolarHBondContact OG1-OE1 2.94Å; P181-Q183 VanDerWaalsContact C-N 3.26Å; P181-Q183 PolarHBondContact O-N 3.24Å; Q183-L199 PolarHBondContact O-N 3.33Å
184	V	90.2	Very high	80.6	Confident	16 Å²	16	71.3 Å²	71.3	10%	0.097	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.9	-174	-179.1	0	0	0	0	110.2	W170 L179 K196 V197 V205	W170-V184 HydrophobicContact CB-CG2 3.71Å; W170-V184 HydrophobicContact CD2-CG1 4.39Å; W170-V184 HydrophobicContact CG-CB 4.38Å; W170-V184 HydrophobicContact CG-CG1 4.34Å; W170-V184 HydrophobicContact CG-CG2 3.76Å; L179-V184 HydrophobicContact CB-CG2 3.87Å; L179-V184 HydrophobicContact CD1-CG2 4.31Å; V184-K196 HydrophobicContact CG1-CB 3.69Å; V184-K196 HydrophobicContact CG1-CD 3.74Å; V184-K196 HydrophobicContact CG1-CG 4.22Å; V184-V197 CarbonylContact C-O 3.56Å; V184-V197 VanDerWaalsContact CA-O 3.31Å; V184-V197 WeakPolarHBondContact CA-O 3.3Å; V184-V197 WeakPolarHBondContact CG1-O 3.36Å; V184-V205 HydrophobicContact CB-CG2 4.4Å; V184-V205 HydrophobicContact CG1-CG2 3.43Å; V184-V205 VanDerWaalsContact CG1-CG2 3.43Å; V184-V205 HydrophobicContact CG2-CG2 4Å
185	S	91.8	Very high	81.8	Confident	37 Å²	37	67 Å²	67	26%	0.259	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	162.1	173.8	61.8	0	0	0	0	112.1	K196 V197	S185-K196 CarbonylContact O-C 3.52Å; S185-K196 WeakPolarHBondContact O-CA 3.45Å; S185-V197 PolarHBondContact N-O 3.1Å; S185-V197 PolarHBondContact O-N 3.4Å
186	D	91.9	Very high	83	Confident	103 Å²	103	67.7 Å²	67.7	55%	0.551	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	141.3	169.6	-64.7	-59.5	0	0	0	110.8	K196	D186-K196 WeakPolarHBondContact OD1-CD 3.04Å; D186-K196 WeakPolarHBondContact OD1-CE 3.47Å; D186-K196 IonicContact OD1-NZ 3.55Å; D186-K196 PolarHBondContact OD1-NZ 2.71Å; D186-K196 IonicContact OD2-NZ 2.65Å; D186-K196 PolarHBondContact OD2-NZ 3.46Å
187	A	88.8	Confident	84	Confident	35 Å²	35	68 Å²	68	29%	0.289	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	166.6	173.8	0	0	0	0	0	110.3	E194 V195 V197	A187-E194 WeakPolarHBondContact O-CA 3.44Å; A187-V195 HydrophobicContact CB-CG2 4.37Å; A187-V195 PolarHBondContact N-O 2.89Å; A187-V195 WeakPolarHBondContact O-CG2 3.46Å; A187-V195 PolarHBondContact O-N 2.89Å; A187-V197 HydrophobicContact CB-CB 4.36Å; A187-V197 HydrophobicContact CB-CG1 3.79Å; A187-V197 HydrophobicContact CB-CG2 3.6Å
188	L	87.2	Confident	84.9	Confident	120 Å²	120	66.6 Å²	66.6	63%	0.628	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.5	171.4	-62.8	174.7	0	0	0	109.1	K193 E194	L188-K193 WeakPolarHBondContact CA-O 3.34Å; L188-E194 HydrophobicContact CD2-CG 3.82Å
189	D	81.5	Confident	85.1	Confident	45 Å²	45	70.2 Å²	70.2	24%	0.241	41%	0.409	C	S	.	.			trans	-74.2	171.6	171.1	78.2	9.7	0	0	0	111.3	S191 G192 K193 V195	D189-S191 VanDerWaalsContact CG-OG 3.29Å; D189-S191 PolarHBondContact O-N 2.83Å; D189-S191 VanDerWaalsContact OD1-CA 3.29Å; D189-S191 WeakPolarHBondContact OD1-CA 3.46Å; D189-S191 WeakPolarHBondContact OD1-CB 3.15Å; D189-S191 PolarHBondContact OD1-N 2.84Å; D189-S191 PolarHBondContact OD1-OG 3.24Å; D189-S191 PolarHBondContact OD2-OG 2.79Å; D189-G192 PolarHBondContact O-N 3.15Å; D189-G192 PolarHBondContact OD1-N 2.79Å; D189-G192 VanDerWaalsContact OD1-N 3.14Å; D189-K193 PolarHBondContact N-O 2.86Å; D189-K193 PolarHBondContact OD1-N 2.93Å; D189-V195 HydrophobicContact CB-CG1 4.01Å; D189-V195 HydrophobicContact CB-CG2 4.11Å
190	P	77.5	Confident	85.1	Confident	145 Å²	145	78 Å²	78	94%	0.942	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-14	179.2	-25	35.3	0	0	0	114.9
191	S	81.8	Confident	84.8	Confident	97 Å²	97	77.5 Å²	77.5	68%	0.678	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-0.8	175.4	73.3	0	0	0	0	113.6	D189	D189-S191 VanDerWaalsContact CG-OG 3.29Å; D189-S191 PolarHBondContact O-N 2.83Å; D189-S191 VanDerWaalsContact OD1-CA 3.29Å; D189-S191 WeakPolarHBondContact OD1-CA 3.46Å; D189-S191 WeakPolarHBondContact OD1-CB 3.15Å; D189-S191 PolarHBondContact OD1-N 2.84Å; D189-S191 PolarHBondContact OD1-OG 3.24Å; D189-S191 PolarHBondContact OD2-OG 2.79Å
192	G	83.4	Confident	84.8	Confident	52 Å²	52	75.3 Å²	75.3	54%	0.536	44%	0.439	S	S	.	.	S	Bend	trans	82.6	13.7	-177.1	0	0	0	0	0	114	D189	D189-G192 PolarHBondContact O-N 3.15Å; D189-G192 PolarHBondContact OD1-N 2.79Å; D189-G192 VanDerWaalsContact OD1-N 3.14Å
193	K	86.9	Confident	84.9	Confident	142 Å²	142	73.8 Å²	73.8	62%	0.617	42%	0.421	S	S	*	.			trans	-88.7	138.1	177.8	-174.6	-178.3	176.6	178.6	0	110.8	L188 D189 V195	L188-K193 WeakPolarHBondContact CA-O 3.34Å; D189-K193 PolarHBondContact N-O 2.86Å; D189-K193 PolarHBondContact OD1-N 2.93Å; K193-V195 PolarHBondContact O-N 2.9Å
194	E	88.9	Confident	85.2	Confident	155 Å²	155	75.3 Å²	75.3	72%	0.724	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	125.7	172.2	-71.8	-176.9	171.5	0	0	111.2	A187 L188	A187-E194 WeakPolarHBondContact O-CA 3.44Å; L188-E194 HydrophobicContact CD2-CG 3.82Å
195	V	91.3	Very high	85.1	Confident	19 Å²	19	74.8 Å²	74.8	12%	0.115	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	152.3	175.7	-66.5	0	0	0	0	109.5	A187 D189 K193 V197 K204	A187-V195 HydrophobicContact CB-CG2 4.37Å; A187-V195 PolarHBondContact N-O 2.89Å; A187-V195 WeakPolarHBondContact O-CG2 3.46Å; A187-V195 PolarHBondContact O-N 2.89Å; D189-V195 HydrophobicContact CB-CG1 4.01Å; D189-V195 HydrophobicContact CB-CG2 4.11Å; K193-V195 PolarHBondContact O-N 2.9Å; V195-V197 HydrophobicContact CG2-CG1 4.2Å; V195-K204 HydrophobicContact CB-CG 4.41Å; V195-K204 HydrophobicContact CG1-CD 4.42Å
196	K	91.9	Very high	84.8	Confident	61 Å²	61	77 Å²	77	27%	0.265	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	138.2	169.4	-71.1	-79.3	-174.8	-165.3	0	108.8	W170 V184 S185 D186 K204 V205	W170-K196 HydrophobicContact CE3-CB 4.17Å; W170-K196 HydrophobicContact CE3-CG 4.33Å; W170-K196 HydrophobicContact CH2-CB 4.33Å; W170-K196 HydrophobicContact CH2-CD 4.29Å; W170-K196 HydrophobicContact CH2-CG 3.62Å; W170-K196 HydrophobicContact CZ2-CD 4.22Å; W170-K196 HydrophobicContact CZ2-CG 4.04Å; W170-K196 HydrophobicContact CZ3-CB 3.96Å; W170-K196 HydrophobicContact CZ3-CG 3.76Å; V184-K196 HydrophobicContact CG1-CB 3.69Å; V184-K196 HydrophobicContact CG1-CD 3.74Å; V184-K196 HydrophobicContact CG1-CG 4.22Å; S185-K196 CarbonylContact O-C 3.52Å; S185-K196 WeakPolarHBondContact O-CA 3.45Å; D186-K196 WeakPolarHBondContact OD1-CD 3.04Å; D186-K196 WeakPolarHBondContact OD1-CE 3.47Å; D186-K196 IonicContact OD1-NZ 3.55Å; D186-K196 PolarHBondContact OD1-NZ 2.71Å; D186-K196 IonicContact OD2-NZ 2.65Å; D186-K196 PolarHBondContact OD2-NZ 3.46Å; K196-K204 CarbonylContact O-C 3.46Å; K196-K204 WeakPolarHBondContact O-CA 3.29Å; K196-V205 HydrophobicContact CB-CG2 3.47Å; K196-V205 VanDerWaalsContact CB-CG2 3.47Å; K196-V205 PolarHBondContact O-N 2.72Å
197	V	89.5	Confident	84.5	Confident	17 Å²	17	78.4 Å²	78.4	10%	0.103	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151.1	177.6	-63.4	0	0	0	0	111.5	V184 S185 A187 V195 L199 H203	V184-V197 CarbonylContact C-O 3.56Å; V184-V197 VanDerWaalsContact CA-O 3.31Å; V184-V197 WeakPolarHBondContact CA-O 3.3Å; V184-V197 WeakPolarHBondContact CG1-O 3.36Å; S185-V197 PolarHBondContact N-O 3.1Å; S185-V197 PolarHBondContact O-N 3.4Å; A187-V197 HydrophobicContact CB-CB 4.36Å; A187-V197 HydrophobicContact CB-CG1 3.79Å; A187-V197 HydrophobicContact CB-CG2 3.6Å; V195-V197 HydrophobicContact CG2-CG1 4.2Å; V197-L199 PolarHBondContact O-N 3.15Å; V197-H203 CarbonylContact C-O 3.58Å; V197-H203 WeakPolarHBondContact CA-O 3.43Å
198	S	84.8	Confident	84	Confident	3 Å²	3	78.1 Å²	78.1	2%	0.021	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	130.4	170.5	173.1	0	0	0	0	110.2	E200 S201 G202 H203	S198-E200 PolarHBondContact O-N 2.81Å; S198-E200 PolarHBondContact OG-N 2.95Å; S198-S201 WeakPolarHBondContact CB-OG 3.39Å; S198-S201 PolarHBondContact OG-N 2.66Å; S198-S201 PolarHBondContact OG-OG 3.08Å; S198-G202 WeakPolarHBondContact O-CA 3.37Å; S198-G202 PolarHBondContact O-N 3.5Å; S198-H203 PolarHBondContact N-O 2.82Å
199	L	81.1	Confident	83.7	Confident	107 Å²	107	78.9 Å²	78.9	56%	0.56	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-26.1	172.5	-79.6	172	0	0	0	112.3	S182 Q183 V197	S182-L199 VanDerWaalsContact O-CD1 3.3Å; S182-L199 WeakPolarHBondContact O-CD1 3.39Å; Q183-L199 PolarHBondContact O-N 3.33Å; V197-L199 PolarHBondContact O-N 3.15Å
200	E	74.1	Confident	83.5	Confident	169 Å²	169	77.3 Å²	77.3	79%	0.79	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-47.5	-177.8	-175.6	177.3	-176.6	0	0	112	S198	S198-E200 PolarHBondContact O-N 2.81Å; S198-E200 PolarHBondContact OG-N 2.95Å
201	S	73.8	Confident	84	Confident	39 Å²	39	75 Å²	75	27%	0.273	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-18.6	-171.7	64.8	0	0	0	0	114	D175 S198 H203	D175-S201 WeakPolarHBondContact OD1-CB 3.28Å; D175-S201 PolarHBondContact OD1-OG 2.77Å; D175-S201 WeakPolarHBondContact OD2-CB 3.34Å; D175-S201 PolarHBondContact OD2-OG 3.43Å; S198-S201 WeakPolarHBondContact CB-OG 3.39Å; S198-S201 PolarHBondContact OG-N 2.66Å; S198-S201 PolarHBondContact OG-OG 3.08Å; S201-H203 WeakPolarHBondContact CB-ND1 3.46Å; S201-H203 PolarHBondContact O-N 3.24Å; S201-H203 WeakPolarHBondContact OG-CB 3.38Å; S201-H203 PolarHBondContact OG-N 2.9Å; S201-H203 PolarHBondContact OG-ND1 2.72Å
202	G	82.1	Confident	84.4	Confident	49 Å²	49	70.4 Å²	70.4	51%	0.505	35%	0.354	S	S	.	.			trans	72.1	1.6	-169.6	0	0	0	0	0	114.1	S198	S198-G202 WeakPolarHBondContact O-CA 3.37Å; S198-G202 PolarHBondContact O-N 3.5Å
203	H	83.9	Confident	85	Confident	66 Å²	66	69 Å²	69	31%	0.306	33%	0.333	S	S	.	.			trans	-75	146.4	-179.6	-59.3	154.9	0	0	0	111.6	Q174 D175 V197 S198 S201	Q174-H203 HydrophobicContact CB-CB 4.02Å; Q174-H203 WeakPolarHBondContact CB-ND1 3.32Å; Q174-H203 PolarHBondContact OE1-CD2 3.25Å; Q174-H203 PolarHBondContact OE1-ND1 2.91Å; Q174-H203 PolarHBondContact OE1-NE2 3.24Å; D175-H203 IonicContact OD1-CE1 3.96Å; D175-H203 PolarHBondContact OD1-CE1 3.27Å; D175-H203 IonicContact OD1-CG 3.42Å; D175-H203 IonicContact OD1-ND1 3.56Å; D175-H203 PolarHBondContact OD1-ND1 3.32Å; D175-H203 IonicContact OD2-ND1 3.59Å; V197-H203 CarbonylContact C-O 3.58Å; V197-H203 WeakPolarHBondContact CA-O 3.43Å; S198-H203 PolarHBondContact N-O 2.82Å; S201-H203 WeakPolarHBondContact CB-ND1 3.46Å; S201-H203 PolarHBondContact O-N 3.24Å; S201-H203 WeakPolarHBondContact OG-CB 3.38Å; S201-H203 PolarHBondContact OG-N 2.9Å; S201-H203 PolarHBondContact OG-ND1 2.72Å
204	K	87.3	Confident	85.3	Confident	105 Å²	105	62.7 Å²	62.7	46%	0.457	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	138.4	176.7	-176	-174	176.8	-145.7	0	111.1	V195 K196 E206	V195-K204 HydrophobicContact CB-CG 4.41Å; V195-K204 HydrophobicContact CG1-CD 4.42Å; K196-K204 CarbonylContact O-C 3.46Å; K196-K204 WeakPolarHBondContact O-CA 3.29Å; K204-E206 IonicContact NZ-OE1 3.36Å; K204-E206 PolarHBondContact NZ-OE1 3.3Å
205	V	88.1	Confident	85.7	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	153.4	176.1	-52.8	0	0	0	0	111.3	W170 Y171 L179 V184 K196	W170-V205 HydrophobicContact CB-CB 4.26Å; W170-V205 HydrophobicContact CB-CG2 4.04Å; W170-V205 HydrophobicContact CD2-CG2 4.13Å; W170-V205 HydrophobicContact CE3-CG2 3.76Å; W170-V205 HydrophobicContact CG-CG2 4.26Å; Y171-V205 VanDerWaalsContact O-CA 3.29Å; Y171-V205 WeakPolarHBondContact O-CA 3.49Å; L179-V205 HydrophobicContact CD1-CG1 3.66Å; V184-V205 HydrophobicContact CB-CG2 4.4Å; V184-V205 HydrophobicContact CG1-CG2 3.43Å; V184-V205 VanDerWaalsContact CG1-CG2 3.43Å; V184-V205 HydrophobicContact CG2-CG2 4Å; K196-V205 HydrophobicContact CB-CG2 3.47Å; K196-V205 VanDerWaalsContact CB-CG2 3.47Å; K196-V205 PolarHBondContact O-N 2.72Å
206	E	85.9	Confident	86	Confident	85 Å²	85	58.9 Å²	58.9	40%	0.397	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.2	-179.3	-61.7	-178.5	166.4	0	0	110.2	W170 Y171 K204 M208	W170-E206 CarbonylContact C-O 3.46Å; W170-E206 WeakPolarHBondContact CA-O 3.47Å; Y171-E206 PolarHBondContact N-O 3.31Å; Y171-E206 PolarHBondContact O-N 3.28Å; K204-E206 IonicContact NZ-OE1 3.36Å; K204-E206 PolarHBondContact NZ-OE1 3.3Å; E206-M208 HydrophobicContact CB-CE 3.92Å; E206-M208 PolarHBondContact O-N 2.69Å
207	W	85.3	Confident	86.3	Confident	132 Å²	132	56.1 Å²	56.1	50%	0.5	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	127.5	176.2	-172.3	-90.1	0	0	0	109.5	E168 W170	E168-W207 HydrophobicContact CB-CZ2 4.09Å; W170-W207 AromaticContact CD1-CZ3 3.99Å; W170-W207 AromaticContact CD2-CE3 3.86Å; W170-W207 HydrophobicContact CD2-CE3 3.86Å; W170-W207 AromaticContact CE2-CE3 3.63Å; W170-W207 HydrophobicContact CE3-CB 4.11Å; W170-W207 HydrophobicContact CE3-CE3 4.44Å; W170-W207 HydrophobicContact CG-CE3 4.11Å; W170-W207 HydrophobicContact CG-CZ3 4.47Å; W170-W207 HydrophobicContact CH2-CB 4.22Å; W170-W207 AromaticContact CZ2-CE3 3.99Å; W170-W207 HydrophobicContact CZ2-CE3 3.99Å; W170-W207 HydrophobicContact CZ3-CB 3.88Å; W170-W207 AromaticContact NE1-CE3 3.75Å; W170-W207 AromaticContact NE1-CZ3 3.76Å
208	M	77.4	Confident	86.6	Confident	28 Å²	28	58 Å²	58	14%	0.138	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.2	-179	-62.4	-171.5	-168.9	0	0	110.9	E168 G169 Y171 F178 E206 R263	E168-M208 VanDerWaalsContact CA-O 3.3Å; E168-M208 WeakPolarHBondContact CA-O 3.46Å; G169-M208 PolarHBondContact N-O 2.96Å; G169-M208 PolarHBondContact O-N 3.39Å; Y171-M208 HydrophobicContact CD1-CE 3.92Å; Y171-M208 HydrophobicContact CD1-SD 3.91Å; Y171-M208 HydrophobicContact CG-CE 4.47Å; Y171-M208 HydrophobicContact CG-SD 4.09Å; F178-M208 HydrophobicContact CE1-CB 4.46Å; E206-M208 HydrophobicContact CB-CE 3.92Å; E206-M208 PolarHBondContact O-N 2.69Å; M208-R263 PolarHBondContact SD-NH1 3.33Å; M208-R263 PolarHBondContact SD-NH2 3.43Å
209	K	81.1	Confident	87.2	Confident	136 Å²	136	60 Å²	60	59%	0.591	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	118.4	170.2	173.5	168.9	-171.5	156.5	0	108.6	Y167 E168	Y167-K209 WeakPolarHBondContact O-CA 3.08Å; E168-K209 VanDerWaalsContact CD-CD 3.48Å; E168-K209 HydrophobicContact CG-CB 3.79Å; E168-K209 HydrophobicContact CG-CD 3.82Å; E168-K209 HydrophobicContact CG-CG 3.58Å; E168-K209 WeakPolarHBondContact OE1-CD 3.33Å; E168-K209 WeakPolarHBondContact OE1-CE 3.19Å; E168-K209 IonicContact OE1-NZ 3.21Å; E168-K209 PolarHBondContact OE1-NZ 2.99Å
210	E	77.1	Confident	88	Confident	12 Å²	12	55 Å²	55	6%	0.056	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	136.9	-179.4	-67.3	-172.3	160.3	0	0	111.6	S166 Y167 N212 R263	S166-E210 CarbonylContact C-O 3.56Å; S166-E210 WeakPolarHBondContact CA-O 3.36Å; Y167-E210 PolarHBondContact N-O 2.75Å; Y167-E210 PolarHBondContact O-N 2.83Å; E210-N212 WeakPolarHBondContact CB-ND2 3.43Å; E210-N212 PolarHBondContact O-N 3.47Å; E210-N212 PolarHBondContact OE2-ND2 2.94Å; E210-R263 WeakPolarHBondContact OE1-CD 3.32Å; E210-R263 IonicContact OE1-CZ 3.2Å; E210-R263 IonicContact OE1-NE 3.48Å; E210-R263 IonicContact OE1-NH1 2.88Å; E210-R263 PolarHBondContact OE1-NH1 2.75Å; E210-R263 IonicContact OE2-NH1 3.32Å; E210-R263 PolarHBondContact OE2-NH1 2.97Å
211	E	87.4	Confident	89.1	Confident	97 Å²	97	50.8 Å²	50.8	45%	0.453	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	115.6	164.6	-166.5	171.7	106.8	0	0	108.9	K164 G165 Q276	K164-E211 HydrophobicContact CD-CG 4.09Å; K164-E211 WeakPolarHBondContact CD-OE1 3.34Å; K164-E211 WeakPolarHBondContact CE-OE1 3.43Å; K164-E211 HydrophobicContact CG-CG 3.91Å; K164-E211 IonicContact NZ-OE1 3.85Å; K164-E211 PolarHBondContact NZ-OE1 2.96Å; G165-E211 WeakPolarHBondContact O-CA 3.45Å; E211-Q276 PolarHBondContact O-NE2 3.35Å
212	N	91.2	Very high	90.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	160.4	-177.5	-72.6	-44.7	0	0	0	109.6	G165 E210 S256 S258 R259 Q276	G165-N212 PolarHBondContact N-O 3.42Å; G165-N212 PolarHBondContact O-N 3.47Å; E210-N212 WeakPolarHBondContact CB-ND2 3.43Å; E210-N212 PolarHBondContact O-N 3.47Å; E210-N212 PolarHBondContact OE2-ND2 2.94Å; N212-S256 WeakPolarHBondContact CB-OG 3.46Å; N212-S258 PolarHBondContact OD1-O 3.4Å; N212-R259 WeakPolarHBondContact OD1-CA 3.3Å; N212-Q276 PolarHBondContact OD1-OE1 3.17Å
213	Y	95.1	Very high	91	Very high	23 Å²	23	53.5 Å²	53.5	9%	0.09	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	129.7	167	-71.9	-81.9	0	0	0	109.4	W153 W157 I162 Y163 K164 V257 S258 V270 D273 Q276	W153-Y213 HydrophobicContact CH2-CD2 4.2Å; W153-Y213 AromaticContact CH2-CG 3.91Å; W153-Y213 HydrophobicContact CH2-CG 3.91Å; W153-Y213 HydrophobicContact CZ2-CD1 4.07Å; W153-Y213 HydrophobicContact CZ2-CD2 4.02Å; W153-Y213 AromaticContact CZ2-CG 3.72Å; W153-Y213 HydrophobicContact CZ2-CG 3.72Å; W157-Y213 HydrophobicContact CE3-CD1 4.33Å; W157-Y213 HydrophobicContact CE3-CE1 4.28Å; W157-Y213 HydrophobicContact CH2-CD1 4.47Å; W157-Y213 AromaticContact CH2-CE1 3.86Å; W157-Y213 HydrophobicContact CH2-CE1 3.86Å; W157-Y213 AromaticContact CZ3-CD1 3.69Å; W157-Y213 HydrophobicContact CZ3-CD1 3.69Å; W157-Y213 AromaticContact CZ3-CE1 3.48Å; W157-Y213 HydrophobicContact CZ3-CE1 3.48Å; W157-Y213 VanDerWaalsContact CZ3-CE1 3.48Å; I162-Y213 HydrophobicContact CG2-CD1 3.84Å; I162-Y213 HydrophobicContact CG2-CG 4.24Å; Y163-Y213 CarbonylContact O-C 3.58Å; Y163-Y213 WeakPolarHBondContact O-CA 3.45Å; K164-Y213 HydrophobicContact CB-CE1 4.46Å; K164-Y213 HydrophobicContact CG-CE1 4.44Å; Y213-V257 WeakPolarHBondContact O-CG2 3.48Å; Y213-V257 PolarHBondContact O-N 2.81Å; Y213-S258 WeakPolarHBondContact CD2-OG 3.28Å; Y213-S258 PolarHBondContact N-OG 2.87Å; Y213-S258 PolarHBondContact O-N 3Å; Y213-V270 HydrophobicContact CD2-CG1 4.2Å; Y213-V270 HydrophobicContact CD2-CG2 4.16Å; Y213-V270 HydrophobicContact CE2-CB 4.43Å; Y213-V270 HydrophobicContact CE2-CG1 3.83Å; Y213-V270 HydrophobicContact CE2-CG2 4.36Å; Y213-D273 HydrophobicContact CE2-CB 4.18Å; Y213-D273 VanDerWaalsContact CE2-OD2 3.31Å; Y213-D273 WeakPolarHBondContact CE2-OD2 3.33Å; Y213-D273 WeakPolarHBondContact OH-CB 3.47Å; Y213-D273 PolarHBondContact OH-OD2 3.27Å; Y213-Q276 HydrophobicContact CD2-CB 4.27Å; Y213-Q276 HydrophobicContact CD2-CG 4.22Å; Y213-Q276 HydrophobicContact CE2-CB 4.06Å; Y213-Q276 HydrophobicContact CE2-CG 3.9Å
214	M	95.1	Very high	91.6	Very high	10 Å²	10	50.3 Å²	50.3	5%	0.049	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.7	-177.5	-57.7	-59.7	-65.6	0	0	109.4	I162 Y163 Y167 D254 L255 S256	I162-M214 CarbonylContact C-O 3.59Å; I162-M214 VanDerWaalsContact CA-O 3.28Å; I162-M214 WeakPolarHBondContact CA-O 3.46Å; Y163-M214 HydrophobicContact CD1-CB 4.13Å; Y163-M214 WeakPolarHBondContact CD1-O 3.46Å; Y163-M214 HydrophobicContact CE1-CB 3.6Å; Y163-M214 HydrophobicContact CE2-CB 4.02Å; Y163-M214 HydrophobicContact CE2-CG 4.31Å; Y163-M214 PolarHBondContact N-O 3.32Å; Y163-M214 PolarHBondContact O-N 2.82Å; Y167-M214 HydrophobicContact CD2-CE 3.77Å; Y167-M214 HydrophobicContact CD2-SD 4.38Å; Y167-M214 HydrophobicContact CE2-CE 4.43Å; M214-D254 HydrophobicContact CE-CB 4.37Å; M214-L255 CarbonylContact C-O 3.54Å; M214-L255 WeakPolarHBondContact CA-O 3.26Å; M214-S256 VanDerWaalsContact SD-CA 3.59Å
215	F	97.4	Very high	92.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	134.4	169.9	175.5	-107	0	0	0	110	L156 L161 I162 L217 F220 D254 L255 V257 A323 F324	L156-F215 HydrophobicContact CD1-CD2 4.28Å; L156-F215 HydrophobicContact CD1-CE2 4.2Å; L156-F215 HydrophobicContact CD2-CE2 4.21Å; L161-F215 HydrophobicContact CB-CD2 4.21Å; L161-F215 HydrophobicContact CB-CE2 3.93Å; L161-F215 HydrophobicContact CD1-CE2 4.44Å; L161-F215 WeakPolarHBondContact O-CA 3.17Å; I162-F215 HydrophobicContact CG1-CD2 4.32Å; F215-L217 HydrophobicContact CD1-CB 3.88Å; F215-L217 HydrophobicContact CD1-CD1 4.42Å; F215-L217 HydrophobicContact CE1-CB 4.19Å; F215-L217 HydrophobicContact CE1-CD1 4.08Å; F215-L217 PolarHBondContact O-N 2.89Å; F215-F220 HydrophobicContact CE1-CD2 4.01Å; F215-F220 AromaticContact CE1-CE2 3.92Å; F215-F220 HydrophobicContact CE1-CE2 3.92Å; F215-F220 HydrophobicContact CE2-CE2 4.02Å; F215-F220 HydrophobicContact CE2-CZ 4.43Å; F215-F220 AromaticContact CZ-CD2 3.86Å; F215-F220 HydrophobicContact CZ-CD2 3.86Å; F215-F220 AromaticContact CZ-CE2 3.33Å; F215-F220 HydrophobicContact CZ-CE2 3.33Å; F215-F220 AromaticContact CZ-CZ 3.86Å; F215-F220 HydrophobicContact CZ-CZ 3.86Å; F215-D254 WeakPolarHBondContact O-CA 3.35Å; F215-D254 VanDerWaalsContact O-CB 3.31Å; F215-D254 WeakPolarHBondContact O-CB 3.49Å; F215-L255 PolarHBondContact N-O 3.02Å; F215-L255 PolarHBondContact O-N 3.39Å; F215-V257 HydrophobicContact CB-CG1 3.62Å; F215-V257 HydrophobicContact CB-CG2 4.12Å; F215-A323 HydrophobicContact CE1-CB 3.99Å; F215-A323 HydrophobicContact CZ-CB 4.41Å; F215-F324 HydrophobicContact CB-CE1 4.27Å; F215-F324 AromaticContact CD1-CD1 3.84Å; F215-F324 HydrophobicContact CD1-CD1 3.84Å; F215-F324 AromaticContact CD1-CE1 3.5Å; F215-F324 HydrophobicContact CD1-CE1 3.5Å; F215-F324 HydrophobicContact CD2-CD1 4.25Å; F215-F324 HydrophobicContact CD2-CE1 4.26Å; F215-F324 AromaticContact CE1-CD1 3.65Å; F215-F324 HydrophobicContact CE1-CD1 3.65Å; F215-F324 AromaticContact CE1-CE1 3.81Å; F215-F324 HydrophobicContact CE1-CE1 3.81Å; F215-F324 HydrophobicContact CE2-CD1 4.08Å; F215-F324 HydrophobicContact CG-CD1 4.14Å; F215-F324 AromaticContact CG-CE1 3.75Å; F215-F324 HydrophobicContact CG-CE1 3.75Å; F215-F324 AromaticContact CZ-CD1 3.78Å; F215-F324 HydrophobicContact CZ-CD1 3.78Å; F215-F324 HydrophobicContact CZ-CE1 4.31Å
216	R	97.6	Very high	92.6	Very high	94 Å²	94	51.4 Å²	51.4	36%	0.355	25%	0.251	S	S	.	.			trans	-70.2	52.6	-179.3	-65.5	-175.8	-178.9	-76.6	0.3	113.8	G160 L161 Y163 S218 S219 F220 D254	G160-R216 PolarHBondContact O-NE 2.8Å; L161-R216 PolarHBondContact O-N 3Å; Y163-R216 HydrophobicContact CD1-CG 3.87Å; Y163-R216 HydrophobicContact CE1-CG 3.83Å; R216-S218 PolarHBondContact O-N 3.4Å; R216-S219 WeakPolarHBondContact O-CB 3.36Å; R216-S219 PolarHBondContact O-N 3.12Å; R216-S219 VanDerWaalsContact O-N 3.16Å; R216-F220 VanDerWaalsContact O-CD2 3.24Å; R216-F220 WeakPolarHBondContact O-CD2 3.43Å; R216-F220 WeakPolarHBondContact O-CE2 3.28Å; R216-D254 VanDerWaalsContact C-OD1 3.28Å; R216-D254 WeakPolarHBondContact CA-OD1 3.33Å
217	L	96.9	Very high	93.1	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-58.2	-36.3	-176.5	-177.2	60.7	0	0	0	112.2	F215 S219 F220 L252 D254 L255 I319 Y320 A323	F215-L217 HydrophobicContact CD1-CB 3.88Å; F215-L217 HydrophobicContact CD1-CD1 4.42Å; F215-L217 HydrophobicContact CE1-CB 4.19Å; F215-L217 HydrophobicContact CE1-CD1 4.08Å; F215-L217 PolarHBondContact O-N 2.89Å; L217-S219 PolarHBondContact O-N 3.07Å; L217-S219 VanDerWaalsContact O-N 3.15Å; L217-F220 PolarHBondContact O-N 2.8Å; L217-L252 HydrophobicContact CD1-CD2 4.3Å; L217-L252 HydrophobicContact CD2-CD1 3.87Å; L217-L252 HydrophobicContact CD2-CD2 4.5Å; L217-L252 HydrophobicContact CD2-CG 4.1Å; L217-L252 HydrophobicContact CG-CD1 4.19Å; L217-L252 HydrophobicContact CG-CD2 3.92Å; L217-L252 HydrophobicContact CG-CG 3.89Å; L217-D254 PolarHBondContact N-OD1 3.04Å; L217-D254 VanDerWaalsContact N-OD1 3.16Å; L217-L255 HydrophobicContact CB-CB 4.18Å; L217-L255 HydrophobicContact CD2-CB 4.07Å; L217-I319 HydrophobicContact CD1-CG2 4.37Å; L217-Y320 HydrophobicContact CD1-CD1 4.43Å; L217-Y320 HydrophobicContact CD2-CD1 3.69Å; L217-Y320 HydrophobicContact CD2-CE1 3.62Å; L217-A323 HydrophobicContact CD1-CB 3.43Å; L217-A323 VanDerWaalsContact CD1-CB 3.43Å
218	S	96.1	Very high	93.7	Very high	55 Å²	55	42.1 Å²	42.1	39%	0.385	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-55.1	-33.4	178.8	60.4	0	0	0	0	113.1	R216 F220 R221 L252 D254	R216-S218 PolarHBondContact O-N 3.4Å; S218-F220 PolarHBondContact O-N 3.06Å; S218-R221 PolarHBondContact O-N 2.68Å; S218-L252 WeakPolarHBondContact CA-O 3.16Å; S218-L252 WeakPolarHBondContact CB-O 3.36Å; S218-D254 WeakPolarHBondContact CB-OD1 3.43Å; S218-D254 PolarHBondContact N-OD1 2.89Å; S218-D254 PolarHBondContact OG-OD1 2.95Å
219	S	97.3	Very high	94.6	Very high	47 Å²	47	45.1 Å²	45.1	33%	0.329	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-70.2	-14.8	-179.3	-58.4	0	0	0	0	113.6	R216 L217	R216-S219 WeakPolarHBondContact O-CB 3.36Å; R216-S219 PolarHBondContact O-N 3.12Å; R216-S219 VanDerWaalsContact O-N 3.16Å; L217-S219 PolarHBondContact O-N 3.07Å; L217-S219 VanDerWaalsContact O-N 3.15Å
220	F	98.1	Very high	95.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-96.9	-7.6	-176.4	-67.5	-89.4	0	0	0	113.9	W31 L161 F215 R216 L217 S218 S222 L223 L224 A323 L326	W31-F220 AromaticContact CH2-CE1 3.72Å; W31-F220 HydrophobicContact CH2-CE1 3.72Å; W31-F220 AromaticContact CH2-CZ 3.61Å; W31-F220 HydrophobicContact CH2-CZ 3.61Å; W31-F220 HydrophobicContact CZ2-CE1 4.41Å; W31-F220 HydrophobicContact CZ2-CZ 4.18Å; W31-F220 HydrophobicContact CZ3-CE1 4.24Å; L161-F220 HydrophobicContact CD1-CZ 4.01Å; L161-F220 HydrophobicContact CD2-CE2 4.14Å; L161-F220 HydrophobicContact CD2-CZ 3.96Å; F215-F220 HydrophobicContact CE1-CD2 4.01Å; F215-F220 AromaticContact CE1-CE2 3.92Å; F215-F220 HydrophobicContact CE1-CE2 3.92Å; F215-F220 HydrophobicContact CE2-CE2 4.02Å; F215-F220 HydrophobicContact CE2-CZ 4.43Å; F215-F220 AromaticContact CZ-CD2 3.86Å; F215-F220 HydrophobicContact CZ-CD2 3.86Å; F215-F220 AromaticContact CZ-CE2 3.33Å; F215-F220 HydrophobicContact CZ-CE2 3.33Å; F215-F220 AromaticContact CZ-CZ 3.86Å; F215-F220 HydrophobicContact CZ-CZ 3.86Å; R216-F220 VanDerWaalsContact O-CD2 3.24Å; R216-F220 WeakPolarHBondContact O-CD2 3.43Å; R216-F220 WeakPolarHBondContact O-CE2 3.28Å; L217-F220 PolarHBondContact O-N 2.8Å; S218-F220 PolarHBondContact O-N 3.06Å; F220-S222 VanDerWaalsContact C-N 3.31Å; F220-S222 PolarHBondContact O-N 2.71Å; F220-L223 HydrophobicContact CD1-CD1 4.06Å; F220-L223 PolarHBondContact O-N 3.39Å; F220-L223 VanDerWaalsContact O-N 3.07Å; F220-L224 HydrophobicContact CB-CD1 4.45Å; F220-L224 HydrophobicContact CB-CG 4.4Å; F220-L224 WeakPolarHBondContact O-CG 3.25Å; F220-L224 PolarHBondContact O-N 2.69Å; F220-A323 HydrophobicContact CB-CB 3.87Å; F220-A323 HydrophobicContact CD1-CB 4.39Å; F220-A323 HydrophobicContact CD2-CB 4.24Å; F220-A323 HydrophobicContact CG-CB 3.9Å; F220-L326 HydrophobicContact CD1-CB 3.8Å; F220-L326 HydrophobicContact CD1-CD1 4.22Å; F220-L326 HydrophobicContact CE1-CB 3.75Å
221	R	97.4	Very high	96.2	Very high	81 Å²	81	48 Å²	48	31%	0.306	25%	0.247	S	C	.	.	H	α-helix	trans	-50.9	-47	-174.4	-177.4	-178.4	173.4	-170.8	1.6	113.2	S218 L224 L225 L248 Q249 E250 L252	S218-R221 PolarHBondContact O-N 2.68Å; R221-L224 PolarHBondContact O-N 2.94Å; R221-L225 PolarHBondContact O-N 3.29Å; R221-L248 HydrophobicContact CG-CD2 4.49Å; R221-L248 VanDerWaalsContact CZ-O 3.26Å; R221-L248 PolarHBondContact NE-O 3.42Å; R221-L248 PolarHBondContact NH2-O 3.3Å; R221-Q249 PolarHBondContact NH2-O 3.25Å; R221-E250 VanDerWaalsContact CZ-O 3.3Å; R221-E250 PolarHBondContact NH2-O 3.42Å; R221-L252 HydrophobicContact CB-CD2 4.08Å
222	S	96.6	Very high	96.6	Very high	84 Å²	84	46.8 Å²	46.8	59%	0.587	25%	0.248	S	C	*	.	H	α-helix	trans	-67.4	-39.1	-179.1	55.5	0	0	0	0	112.8	F220 L225 D226	F220-S222 VanDerWaalsContact C-N 3.31Å; F220-S222 PolarHBondContact O-N 2.71Å; S222-L225 PolarHBondContact O-N 3.14Å; S222-D226 WeakPolarHBondContact O-CB 3.22Å; S222-D226 PolarHBondContact O-N 3.33Å
223	L	97.9	Very high	96.7	Very high	61 Å²	61	49.9 Å²	49.9	32%	0.319	27%	0.27	S	S	.	.	H	α-helix	trans	-67.7	-39.8	178	-63.2	173.5	0	0	0	111.6	F220 D226 W227 L326	F220-L223 HydrophobicContact CD1-CD1 4.06Å; F220-L223 PolarHBondContact O-N 3.39Å; F220-L223 VanDerWaalsContact O-N 3.07Å; L223-D226 PolarHBondContact O-N 2.83Å; L223-W227 WeakPolarHBondContact O-CB 3.46Å; L223-W227 PolarHBondContact O-N 2.96Å; L223-L326 HydrophobicContact CB-CD1 3.87Å; L223-L326 HydrophobicContact CD1-CD1 4.46Å
224	L	98.3	Very high	96.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-43.9	175.5	-65.5	176.8	0	0	0	111.7	F220 R221 W227 L228 L248 L252 I319 P322 A323 L326	F220-L224 HydrophobicContact CB-CD1 4.45Å; F220-L224 HydrophobicContact CB-CG 4.4Å; F220-L224 WeakPolarHBondContact O-CG 3.25Å; F220-L224 PolarHBondContact O-N 2.69Å; R221-L224 PolarHBondContact O-N 2.94Å; L224-W227 PolarHBondContact O-N 2.8Å; L224-L228 WeakPolarHBondContact O-CG 3.46Å; L224-L228 PolarHBondContact O-N 2.97Å; L224-L248 HydrophobicContact CB-CD1 3.86Å; L224-L248 HydrophobicContact CB-CD2 4.25Å; L224-L248 HydrophobicContact CD1-CD2 4.04Å; L224-L252 HydrophobicContact CD1-CD2 4.34Å; L224-I319 HydrophobicContact CD1-CG2 3.87Å; L224-P322 HydrophobicContact CD2-CB 3.53Å; L224-A323 HydrophobicContact CD1-CB 4.42Å; L224-L326 HydrophobicContact CD2-CD1 4.19Å
225	L	97.4	Very high	97	Very high	59 Å²	59	48.4 Å²	48.4	31%	0.309	26%	0.264	S	S	.	.	H	α-helix	trans	-60.9	-46.7	176.5	-166	94.6	0	0	0	111.1	R221 S222 W227 L228 V229 L245 L248	R221-L225 PolarHBondContact O-N 3.29Å; S222-L225 PolarHBondContact O-N 3.14Å; L225-W227 VanDerWaalsContact C-N 3.35Å; L225-W227 PolarHBondContact O-N 2.53Å; L225-L228 PolarHBondContact O-N 3.34Å; L225-V229 WeakPolarHBondContact O-CB 3.35Å; L225-V229 VanDerWaalsContact O-CG2 3.3Å; L225-V229 WeakPolarHBondContact O-CG2 3.38Å; L225-V229 PolarHBondContact O-N 2.82Å; L225-L245 HydrophobicContact CD1-CD2 4.23Å; L225-L248 HydrophobicContact CD1-CB 4.23Å
226	D	97.4	Very high	96.9	Very high	72 Å²	72	50.6 Å²	50.6	39%	0.385	27%	0.274	S	S	.	.	H	α-helix	trans	-60.9	-42.8	178.2	-176	63.5	0	0	0	112	S222 L223 V229 K230	S222-D226 WeakPolarHBondContact O-CB 3.22Å; S222-D226 PolarHBondContact O-N 3.33Å; L223-D226 PolarHBondContact O-N 2.83Å; D226-V229 PolarHBondContact O-N 3.14Å; D226-K230 WeakPolarHBondContact O-CB 3.44Å; D226-K230 WeakPolarHBondContact O-CG 3.27Å; D226-K230 PolarHBondContact O-N 3.23Å; D226-K230 WeakPolarHBondContact OD1-CE 3.45Å; D226-K230 IonicContact OD1-NZ 2.63Å; D226-K230 PolarHBondContact OD1-NZ 3.45Å; D226-K230 WeakPolarHBondContact OD2-CE 3.12Å; D226-K230 IonicContact OD2-NZ 2.76Å; D226-K230 PolarHBondContact OD2-NZ 3.22Å
227	W	97.6	Very high	96.7	Very high	22 Å²	22	47.4 Å²	47.4	8%	0.083	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-48.8	175	167.6	63.3	0	0	0	112.4	L223 L224 L225 K230 N231 A234 P322 L332 I336	L223-W227 WeakPolarHBondContact O-CB 3.46Å; L223-W227 PolarHBondContact O-N 2.96Å; L224-W227 PolarHBondContact O-N 2.8Å; L225-W227 VanDerWaalsContact C-N 3.35Å; L225-W227 PolarHBondContact O-N 2.53Å; W227-K230 PolarHBondContact O-N 3.11Å; W227-N231 WeakPolarHBondContact O-CB 2.97Å; W227-N231 PolarHBondContact O-N 2.88Å; W227-N231 PolarHBondContact O-ND2 3.08Å; W227-A234 HydrophobicContact CD2-CB 4.47Å; W227-A234 HydrophobicContact CH2-CB 4.05Å; W227-A234 HydrophobicContact CZ2-CB 3.53Å; W227-P322 HydrophobicContact CE3-CB 4.41Å; W227-P322 HydrophobicContact CH2-CB 4.45Å; W227-P322 HydrophobicContact CH2-CG 3.83Å; W227-P322 HydrophobicContact CZ3-CB 4.1Å; W227-P322 HydrophobicContact CZ3-CG 3.74Å; W227-L332 HydrophobicContact CB-CD1 4.05Å; W227-L332 HydrophobicContact CD2-CD1 3.6Å; W227-L332 HydrophobicContact CE3-CD1 4.34Å; W227-L332 HydrophobicContact CG-CD1 3.41Å; W227-L332 VanDerWaalsContact CG-CD1 3.41Å; W227-L332 HydrophobicContact CZ2-CB 4.49Å; W227-L332 HydrophobicContact CZ2-CD1 4.45Å; W227-I336 HydrophobicContact CH2-CD1 4.05Å
228	L	97.6	Very high	96.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-68.1	-36.5	-178.5	-70.4	168.7	0	0	0	112.8	L224 L225 N231 A234 V235 H241 V244 L245 L248	L224-L228 WeakPolarHBondContact O-CG 3.46Å; L224-L228 PolarHBondContact O-N 2.97Å; L225-L228 PolarHBondContact O-N 3.34Å; L228-N231 CarbonylContact O-C 3.6Å; L228-N231 VanDerWaalsContact O-C 3.32Å; L228-A234 HydrophobicContact CD2-CB 4.19Å; L228-V235 HydrophobicContact CD2-CG2 4.05Å; L228-H241 PolarHBondContact O-NE2 2.87Å; L228-V244 HydrophobicContact CD1-CB 4.32Å; L228-V244 HydrophobicContact CD1-CG1 3.58Å; L228-L245 HydrophobicContact CB-CD2 3.78Å; L228-L245 HydrophobicContact CB-CG 4.49Å; L228-L245 HydrophobicContact CD1-CD2 4.03Å; L228-L248 HydrophobicContact CD1-CD1 3.51Å
229	V	96.3	Very high	96.5	Very high	92 Å²	92	54 Å²	54	56%	0.558	29%	0.285	S	S	*	.	H	α-helix	trans	-69.8	-41.6	177.7	169.4	0	0	0	0	111.2	L225 D226 N231 L245	L225-V229 WeakPolarHBondContact O-CB 3.35Å; L225-V229 VanDerWaalsContact O-CG2 3.3Å; L225-V229 WeakPolarHBondContact O-CG2 3.38Å; L225-V229 PolarHBondContact O-N 2.82Å; D226-V229 PolarHBondContact O-N 3.14Å; V229-N231 VanDerWaalsContact C-N 3.33Å; V229-L245 HydrophobicContact CG2-CD2 4.48Å
230	K	96.8	Very high	96.5	Very high	136 Å²	136	52.3 Å²	52.3	59%	0.591	27%	0.272	S	S	*	.	H	α-helix	trans	-73	-26.7	178.3	-73.7	173.5	176.5	162.6	0	112.9	D226 W227 P232	D226-K230 WeakPolarHBondContact O-CB 3.44Å; D226-K230 WeakPolarHBondContact O-CG 3.27Å; D226-K230 PolarHBondContact O-N 3.23Å; D226-K230 WeakPolarHBondContact OD1-CE 3.45Å; D226-K230 IonicContact OD1-NZ 2.63Å; D226-K230 PolarHBondContact OD1-NZ 3.45Å; D226-K230 WeakPolarHBondContact OD2-CE 3.12Å; D226-K230 IonicContact OD2-NZ 2.76Å; D226-K230 PolarHBondContact OD2-NZ 3.22Å; W227-K230 PolarHBondContact O-N 3.11Å; K230-P232 WeakPolarHBondContact O-CD 3.47Å
231	N	95.6	Very high	96.5	Very high	71 Å²	71	52.7 Å²	52.7	38%	0.38	27%	0.274	S	S	.	.			trans	-125	80.8	-178.9	-54.9	-47.6	0	0	0	111	W227 L228 V229 S233 A234	W227-N231 WeakPolarHBondContact O-CB 2.97Å; W227-N231 PolarHBondContact O-N 2.88Å; W227-N231 PolarHBondContact O-ND2 3.08Å; L228-N231 CarbonylContact O-C 3.6Å; L228-N231 VanDerWaalsContact O-C 3.32Å; V229-N231 VanDerWaalsContact C-N 3.33Å; N231-S233 PolarHBondContact O-N 3.4Å; N231-S233 VanDerWaalsContact O-N 3.07Å; N231-A234 HydrophobicContact CB-CB 4.03Å; N231-A234 WeakPolarHBondContact O-CB 3.42Å; N231-A234 PolarHBondContact O-N 2.98Å
232	P	95.3	Very high	96.5	Very high	73 Å²	73	53.4 Å²	53.4	47%	0.474	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23	176.8	-25	34.7	0	0	0	113.8	K230 Q236 H241	K230-P232 WeakPolarHBondContact O-CD 3.47Å; P232-Q236 PolarHBondContact O-NE2 3.2Å; P232-H241 PolarHBondContact O-CD2 3.03Å
233	S	93.9	Very high	96.5	Very high	65 Å²	65	50.6 Å²	50.6	46%	0.455	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-2.2	176.5	60.3	0	0	0	0	114.8	N231 V235 V335	N231-S233 PolarHBondContact O-N 3.4Å; N231-S233 VanDerWaalsContact O-N 3.07Å; S233-V235 PolarHBondContact O-N 3.43Å; S233-V335 WeakPolarHBondContact O-CG1 3.42Å
234	A	96.9	Very high	96.5	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.008	25%	0.247	C	C	.	.	S	Bend	trans	-59.4	-32.6	-176	0	0	0	0	0	113.2	W227 L228 N231 I336	W227-A234 HydrophobicContact CD2-CB 4.47Å; W227-A234 HydrophobicContact CH2-CB 4.05Å; W227-A234 HydrophobicContact CZ2-CB 3.53Å; L228-A234 HydrophobicContact CD2-CB 4.19Å; N231-A234 HydrophobicContact CB-CB 4.03Å; N231-A234 WeakPolarHBondContact O-CB 3.42Å; N231-A234 PolarHBondContact O-N 2.98Å; A234-I336 PolarHBondContact O-N 3.32Å
235	V	97.9	Very high	96.4	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.1	174.9	-178.3	0	0	0	0	107.7	L228 S233 F240 H241 L314 A318 I336 V338	L228-V235 HydrophobicContact CD2-CG2 4.05Å; S233-V235 PolarHBondContact O-N 3.43Å; V235-F240 HydrophobicContact CG1-CB 3.84Å; V235-H241 HydrophobicContact CB-CB 4.11Å; V235-L314 HydrophobicContact CG1-CD1 3.97Å; V235-A318 HydrophobicContact CG2-CB 4.09Å; V235-I336 WeakPolarHBondContact CA-O 3.23Å; V235-I336 HydrophobicContact CG2-CB 4.42Å; V235-I336 HydrophobicContact CG2-CD1 4.33Å; V235-V338 HydrophobicContact CG1-CG2 3.77Å
236	Q	95.3	Very high	96.3	Very high	47 Å²	47	52.1 Å²	52.1	22%	0.22	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.5	-177.2	-72.2	-66.2	-54.6	0	0	110.6	P232 V335 I336 V338	P232-Q236 PolarHBondContact O-NE2 3.2Å; Q236-V335 HydrophobicContact CB-CG1 4.22Å; Q236-V335 HydrophobicContact CG-CG1 4.03Å; Q236-I336 PolarHBondContact N-O 2.86Å; Q236-V338 PolarHBondContact O-N 3.41Å
237	P	94.4	Very high	96.2	Very high	26 Å²	26	53 Å²	53	17%	0.169	27%	0.265	C	S	.	.	S	Bend	cis	-69.1	166.7	-3.7	-23.1	32.2	0	0	0	116	R239 F240 V338 P381 D382	P237-R239 PolarHBondContact O-N 3.4Å; P237-F240 PolarHBondContact O-N 2.98Å; P237-V338 WeakPolarHBondContact CD-O 3.29Å; P237-P381 HydrophobicContact CG-CB 3.72Å; P237-D382 HydrophobicContact CG-CB 4.31Å
238	E	94.3	Very high	96.1	Very high	87 Å²	87	52 Å²	52	41%	0.407	26%	0.261	S	S	.	.	H	α-helix	trans	-46.1	-38.9	-177.3	-176.2	60.9	-159.9	0	0	114.6	F240 H241 Q242	E238-F240 PolarHBondContact O-N 3.37Å; E238-F240 VanDerWaalsContact O-N 3.14Å; E238-H241 WeakPolarHBondContact O-CB 3.46Å; E238-H241 PolarHBondContact O-N 2.85Å; E238-H241 VanDerWaalsContact O-N 3.11Å; E238-Q242 HydrophobicContact CG-CG 4.37Å; E238-Q242 WeakPolarHBondContact O-CG 3.29Å; E238-Q242 PolarHBondContact O-N 3.33Å; E238-Q242 PolarHBondContact OE1-NE2 2.99Å
239	R	94.9	Very high	95.8	Very high	110 Å²	110	57.8 Å²	57.8	42%	0.415	29%	0.288	S	S	.	.	H	α-helix	trans	-57.8	-34.8	-179.1	84.6	167.3	-164.6	175.5	-5.6	112.8	P237 A243 S340 D382	P237-R239 PolarHBondContact O-N 3.4Å; R239-A243 PolarHBondContact O-N 3.16Å; R239-S340 PolarHBondContact NH2-OG 2.9Å; R239-D382 HydrophobicContact CG-CB 4.49Å; R239-D382 PolarHBondContact NE-O 3.39Å; R239-D382 PolarHBondContact NH1-O 3.45Å; R239-D382 PolarHBondContact NH2-O 3.31Å; R239-D382 VanDerWaalsContact NH2-O 3.12Å
240	F	96.9	Very high	95.5	Very high	12 Å²	12	58.8 Å²	58.8	5%	0.053	29%	0.287	C	S	.	.	H	α-helix	trans	-80.7	-31.5	-177.7	-63.9	-65.6	0	0	0	110.8	V235 P237 E238 A243 V244 K311 L314 V338	V235-F240 HydrophobicContact CG1-CB 3.84Å; P237-F240 PolarHBondContact O-N 2.98Å; E238-F240 PolarHBondContact O-N 3.37Å; E238-F240 VanDerWaalsContact O-N 3.14Å; F240-A243 PolarHBondContact O-N 3.4Å; F240-V244 VanDerWaalsContact O-CG2 3.3Å; F240-V244 WeakPolarHBondContact O-CG2 3.37Å; F240-V244 PolarHBondContact O-N 3.4Å; F240-K311 HydrophobicContact CE1-CB 3.59Å; F240-K311 HydrophobicContact CZ-CB 3.88Å; F240-L314 HydrophobicContact CB-CD2 3.76Å; F240-L314 HydrophobicContact CD1-CD2 3.82Å; F240-L314 HydrophobicContact CG-CD2 4.17Å; F240-V338 HydrophobicContact CB-CB 4.29Å; F240-V338 HydrophobicContact CB-CG1 4.41Å; F240-V338 HydrophobicContact CB-CG2 4.18Å; F240-V338 HydrophobicContact CD1-CG1 3.93Å; F240-V338 HydrophobicContact CD2-CB 3.54Å; F240-V338 HydrophobicContact CD2-CG1 3.66Å; F240-V338 HydrophobicContact CD2-CG2 4.33Å; F240-V338 HydrophobicContact CE1-CG1 3.94Å; F240-V338 HydrophobicContact CE2-CB 3.83Å; F240-V338 HydrophobicContact CE2-CG1 3.65Å; F240-V338 HydrophobicContact CG-CB 3.93Å; F240-V338 HydrophobicContact CG-CG1 3.75Å; F240-V338 HydrophobicContact CG-CG2 4.35Å; F240-V338 HydrophobicContact CZ-CB 4.45Å; F240-V338 HydrophobicContact CZ-CG1 3.77Å
241	H	97.5	Very high	95	Very high	7 Å²	7	59.4 Å²	59.4	3%	0.032	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-48.6	168	-179.2	-84.1	0	0	0	111	L228 P232 V235 E238 A243 V244 L245	L228-H241 PolarHBondContact O-NE2 2.87Å; P232-H241 PolarHBondContact O-CD2 3.03Å; V235-H241 HydrophobicContact CB-CB 4.11Å; E238-H241 WeakPolarHBondContact O-CB 3.46Å; E238-H241 PolarHBondContact O-N 2.85Å; E238-H241 VanDerWaalsContact O-N 3.11Å; H241-A243 VanDerWaalsContact C-N 3.33Å; H241-A243 PolarHBondContact O-N 3.26Å; H241-V244 PolarHBondContact O-N 3.41Å; H241-L245 VanDerWaalsContact CE1-CD1 3.43Å; H241-L245 WeakPolarHBondContact CE1-CD1 3.48Å; H241-L245 PolarHBondContact O-N 3.02Å
242	Q	97.1	Very high	94.8	Very high	96 Å²	96	57 Å²	57	45%	0.449	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-39.7	176.7	-65.3	-59.3	-34.6	0	0	112.6	E238 V244 L245 Q246	E238-Q242 HydrophobicContact CG-CG 4.37Å; E238-Q242 WeakPolarHBondContact O-CG 3.29Å; E238-Q242 PolarHBondContact O-N 3.33Å; E238-Q242 PolarHBondContact OE1-NE2 2.99Å; Q242-V244 PolarHBondContact O-N 3.04Å; Q242-L245 PolarHBondContact O-N 2.96Å; Q242-Q246 WeakPolarHBondContact O-CB 3.31Å; Q242-Q246 PolarHBondContact O-N 3.36Å
243	A	96.4	Very high	94.5	Very high	25 Å²	25	57.7 Å²	57.7	21%	0.207	29%	0.288	C	S	.	.	H	α-helix	trans	-60.7	-43.2	175.1	0	0	0	0	0	112.2	R239 F240 H241 Q246 W247	R239-A243 PolarHBondContact O-N 3.16Å; F240-A243 PolarHBondContact O-N 3.4Å; H241-A243 VanDerWaalsContact C-N 3.33Å; H241-A243 PolarHBondContact O-N 3.26Å; A243-Q246 PolarHBondContact O-N 2.94Å; A243-W247 VanDerWaalsContact O-CG 3.27Å; A243-W247 PolarHBondContact O-N 2.73Å
244	V	97.8	Very high	94.5	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-67.4	-41.6	177.8	-179.8	0	0	0	0	111.1	L228 F240 H241 Q242 Q246 W247 L248 L314 A318 I319	L228-V244 HydrophobicContact CD1-CB 4.32Å; L228-V244 HydrophobicContact CD1-CG1 3.58Å; F240-V244 VanDerWaalsContact O-CG2 3.3Å; F240-V244 WeakPolarHBondContact O-CG2 3.37Å; F240-V244 PolarHBondContact O-N 3.4Å; H241-V244 PolarHBondContact O-N 3.41Å; Q242-V244 PolarHBondContact O-N 3.04Å; V244-Q246 VanDerWaalsContact C-N 3.28Å; V244-Q246 PolarHBondContact O-N 3.14Å; V244-W247 HydrophobicContact CB-CE3 4.4Å; V244-W247 HydrophobicContact CG2-CE3 4.04Å; V244-W247 HydrophobicContact CG2-CZ3 3.97Å; V244-W247 PolarHBondContact O-N 3.3Å; V244-L248 HydrophobicContact CG1-CD1 4.28Å; V244-L248 WeakPolarHBondContact O-CG 3.36Å; V244-L248 PolarHBondContact O-N 3.04Å; V244-L314 HydrophobicContact CG2-CD1 4.04Å; V244-L314 HydrophobicContact CG2-CD2 3.96Å; V244-L314 HydrophobicContact CG2-CG 3.9Å; V244-A318 HydrophobicContact CB-CB 4.47Å; V244-A318 HydrophobicContact CG1-CB 4.01Å; V244-A318 HydrophobicContact CG2-CB 3.61Å; V244-I319 HydrophobicContact CG1-CD1 4.47Å; V244-I319 HydrophobicContact CG1-CG1 4.03Å
245	L	97.4	Very high	94.2	Very high	28 Å²	28	56.9 Å²	56.9	15%	0.147	28%	0.279	C	S	.	.	H	α-helix	trans	-58.8	-40.6	174.2	-78.6	179.7	0	0	0	112.1	L225 L228 V229 H241 Q242 L248 Q249	L225-L245 HydrophobicContact CD1-CD2 4.23Å; L228-L245 HydrophobicContact CB-CD2 3.78Å; L228-L245 HydrophobicContact CB-CG 4.49Å; L228-L245 HydrophobicContact CD1-CD2 4.03Å; V229-L245 HydrophobicContact CG2-CD2 4.48Å; H241-L245 VanDerWaalsContact CE1-CD1 3.43Å; H241-L245 WeakPolarHBondContact CE1-CD1 3.48Å; H241-L245 PolarHBondContact O-N 3.02Å; Q242-L245 PolarHBondContact O-N 2.96Å; L245-L248 PolarHBondContact O-N 3.38Å; L245-Q249 WeakPolarHBondContact O-CG 3.29Å; L245-Q249 PolarHBondContact O-N 3.28Å; L245-Q249 PolarHBondContact O-NE2 3.02Å
246	Q	95.9	Very high	93.9	Very high	125 Å²	125	57.1 Å²	57.1	58%	0.584	28%	0.28	S	S	*	.	H	α-helix	trans	-64.2	-46.5	176.4	-175.9	177.6	1	0	0	111.3	Q242 A243 V244 L248 Q249	Q242-Q246 WeakPolarHBondContact O-CB 3.31Å; Q242-Q246 PolarHBondContact O-N 3.36Å; A243-Q246 PolarHBondContact O-N 2.94Å; V244-Q246 VanDerWaalsContact C-N 3.28Å; V244-Q246 PolarHBondContact O-N 3.14Å; Q246-L248 PolarHBondContact O-N 3.2Å; Q246-Q249 VanDerWaalsContact O-CB 3.3Å; Q246-Q249 WeakPolarHBondContact O-CB 3.43Å; Q246-Q249 PolarHBondContact O-N 2.97Å
247	W	94.7	Very high	93.8	Very high	90 Å²	90	54.9 Å²	54.9	34%	0.341	27%	0.27	S	S	.	.	H	α-helix	trans	-59	-35.4	175.7	-62.7	-27.4	0	0	0	112.6	A243 V244 Q249 E250 L314 K315 I319	A243-W247 VanDerWaalsContact O-CG 3.27Å; A243-W247 PolarHBondContact O-N 2.73Å; V244-W247 HydrophobicContact CB-CE3 4.4Å; V244-W247 HydrophobicContact CG2-CE3 4.04Å; V244-W247 HydrophobicContact CG2-CZ3 3.97Å; V244-W247 PolarHBondContact O-N 3.3Å; W247-Q249 PolarHBondContact O-N 2.88Å; W247-E250 WeakPolarHBondContact O-CB 3.38Å; W247-E250 PolarHBondContact O-N 3.01Å; W247-E250 VanDerWaalsContact O-N 3.16Å; W247-L314 HydrophobicContact CH2-CB 4.27Å; W247-L314 HydrophobicContact CH2-CD2 3.88Å; W247-L314 HydrophobicContact CH2-CG 4.1Å; W247-L314 HydrophobicContact CZ3-CB 4.35Å; W247-L314 HydrophobicContact CZ3-CD2 3.99Å; W247-L314 HydrophobicContact CZ3-CG 3.88Å; W247-K315 HydrophobicContact CZ3-CB 4.05Å; W247-I319 HydrophobicContact CB-CD1 4.14Å; W247-I319 HydrophobicContact CE3-CD1 4.06Å
248	L	95.4	Very high	93.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-6.5	175.8	-68.3	172.3	0	0	0	113.8	R221 L224 L225 L228 V244 L245 Q246 L252 I319	R221-L248 HydrophobicContact CG-CD2 4.49Å; R221-L248 VanDerWaalsContact CZ-O 3.26Å; R221-L248 PolarHBondContact NE-O 3.42Å; R221-L248 PolarHBondContact NH2-O 3.3Å; L224-L248 HydrophobicContact CB-CD1 3.86Å; L224-L248 HydrophobicContact CB-CD2 4.25Å; L224-L248 HydrophobicContact CD1-CD2 4.04Å; L225-L248 HydrophobicContact CD1-CB 4.23Å; L228-L248 HydrophobicContact CD1-CD1 3.51Å; V244-L248 HydrophobicContact CG1-CD1 4.28Å; V244-L248 WeakPolarHBondContact O-CG 3.36Å; V244-L248 PolarHBondContact O-N 3.04Å; L245-L248 PolarHBondContact O-N 3.38Å; Q246-L248 PolarHBondContact O-N 3.2Å; L248-L252 HydrophobicContact CD2-CD2 4.14Å; L248-I319 HydrophobicContact CD2-CD1 4.33Å
249	Q	91.5	Very high	93.6	Very high	122 Å²	122	50.1 Å²	50.1	57%	0.57	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-22.7	166.7	-58.3	-47.7	-53.3	0	0	112.3	R221 L245 Q246 W247	R221-Q249 PolarHBondContact NH2-O 3.25Å; L245-Q249 WeakPolarHBondContact O-CG 3.29Å; L245-Q249 PolarHBondContact O-N 3.28Å; L245-Q249 PolarHBondContact O-NE2 3.02Å; Q246-Q249 VanDerWaalsContact O-CB 3.3Å; Q246-Q249 WeakPolarHBondContact O-CB 3.43Å; Q246-Q249 PolarHBondContact O-N 2.97Å; W247-Q249 PolarHBondContact O-N 2.88Å
250	E	89.2	Confident	93.3	Very high	114 Å²	114	47.8 Å²	47.8	53%	0.533	24%	0.239	S	C	.	.	S	Bend	trans	-81.8	172.9	176.2	-59.6	173.5	-165.9	0	0	111.3	R221 W247	R221-E250 VanDerWaalsContact CZ-O 3.3Å; R221-E250 PolarHBondContact NH2-O 3.42Å; W247-E250 WeakPolarHBondContact O-CB 3.38Å; W247-E250 PolarHBondContact O-N 3.01Å; W247-E250 VanDerWaalsContact O-N 3.16Å
251	D	86.7	Confident	93	Very high	148 Å²	148	52.1 Å²	52.1	79%	0.791	26%	0.255	S	S	*	.			trans	-69.6	131.8	174.7	-76.4	-22.2	0	0	0	110.7	P253	D251-P253 VanDerWaalsContact O-CD 3.28Å; D251-P253 WeakPolarHBondContact O-CD 3.29Å
252	L	90.7	Very high	92.5	Very high	20 Å²	20	55.9 Å²	55.9	11%	0.105	28%	0.282	C	S	.	.			trans	-109.4	93.7	-179.7	-172.6	66.6	0	0	0	109.2	L217 S218 R221 L224 L248 I319	L217-L252 HydrophobicContact CD1-CD2 4.3Å; L217-L252 HydrophobicContact CD2-CD1 3.87Å; L217-L252 HydrophobicContact CD2-CD2 4.5Å; L217-L252 HydrophobicContact CD2-CG 4.1Å; L217-L252 HydrophobicContact CG-CD1 4.19Å; L217-L252 HydrophobicContact CG-CD2 3.92Å; L217-L252 HydrophobicContact CG-CG 3.89Å; S218-L252 WeakPolarHBondContact CA-O 3.16Å; S218-L252 WeakPolarHBondContact CB-O 3.36Å; R221-L252 HydrophobicContact CB-CD2 4.08Å; L224-L252 HydrophobicContact CD1-CD2 4.34Å; L248-L252 HydrophobicContact CD2-CD2 4.14Å; L252-I319 HydrophobicContact CD1-CG2 3.91Å; L252-I319 HydrophobicContact CD2-CG2 4.23Å
253	P	90.2	Very high	91.7	Very high	88 Å²	88	54.3 Å²	54.3	57%	0.571	27%	0.272	S	S	*	.			trans	-72.8	162.3	-178.3	30.5	-36	0	0	0	111.9	D251	D251-P253 VanDerWaalsContact O-CD 3.28Å; D251-P253 WeakPolarHBondContact O-CD 3.29Å
254	D	92.8	Very high	91.1	Very high	31 Å²	31	53.8 Å²	53.8	17%	0.166	27%	0.265	C	S	.	.			trans	-63.7	147.6	171.2	-77.1	-1.2	0	0	0	111.5	Y163 M214 F215 R216 L217 S218	Y163-D254 PolarHBondContact OH-OD2 3.02Å; M214-D254 HydrophobicContact CE-CB 4.37Å; F215-D254 WeakPolarHBondContact O-CA 3.35Å; F215-D254 VanDerWaalsContact O-CB 3.31Å; F215-D254 WeakPolarHBondContact O-CB 3.49Å; R216-D254 VanDerWaalsContact C-OD1 3.28Å; R216-D254 WeakPolarHBondContact CA-OD1 3.33Å; L217-D254 PolarHBondContact N-OD1 3.04Å; L217-D254 VanDerWaalsContact N-OD1 3.16Å; S218-D254 WeakPolarHBondContact CB-OD1 3.43Å; S218-D254 PolarHBondContact N-OD1 2.89Å; S218-D254 PolarHBondContact OG-OD1 2.95Å
255	L	91.2	Very high	90.8	Very high	18 Å²	18	59.8 Å²	59.8	9%	0.094	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.5	-168.2	176	65.1	0	0	0	110.8	M214 F215 L217 V257 Y279 Y320 F324	M214-L255 CarbonylContact C-O 3.54Å; M214-L255 WeakPolarHBondContact CA-O 3.26Å; F215-L255 PolarHBondContact N-O 3.02Å; F215-L255 PolarHBondContact O-N 3.39Å; L217-L255 HydrophobicContact CB-CB 4.18Å; L217-L255 HydrophobicContact CD2-CB 4.07Å; L255-V257 HydrophobicContact CD2-CG1 4.23Å; L255-V257 HydrophobicContact CG-CG1 4.18Å; L255-V257 PolarHBondContact O-N 3.38Å; L255-Y279 HydrophobicContact CD1-CE1 4.4Å; L255-Y320 HydrophobicContact CD1-CE2 4.04Å; L255-Y320 HydrophobicContact CD2-CD1 4.29Å; L255-Y320 HydrophobicContact CD2-CD2 3.76Å; L255-Y320 HydrophobicContact CD2-CE2 4.01Å; L255-Y320 HydrophobicContact CD2-CG 3.93Å; L255-F324 HydrophobicContact CD2-CE1 4.2Å; L255-F324 HydrophobicContact CD2-CZ 3.67Å
256	S	91.5	Very high	90.7	Very high	5 Å²	5	60.8 Å²	60.8	4%	0.035	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	115.8	170.8	178	0	0	0	0	111.2	N212 M214 S258 R259 Y279	N212-S256 WeakPolarHBondContact CB-OG 3.46Å; M214-S256 VanDerWaalsContact SD-CA 3.59Å; S256-S258 PolarHBondContact OG-O 3.45Å; S256-R259 PolarHBondContact O-NH1 3.17Å; S256-R259 VanDerWaalsContact O-NH1 3.11Å; S256-R259 PolarHBondContact OG-NH1 3.22Å; S256-Y279 WeakPolarHBondContact O-CD1 3.26Å
257	V	94.3	Very high	90.6	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.006	28%	0.278	C	S	.	.			trans	-109.4	9.4	-176.9	-66.5	0	0	0	0	113.9	W153 I162 Y213 F215 L255 Y279 L282 F324	W153-V257 HydrophobicContact CH2-CG2 3.95Å; W153-V257 HydrophobicContact CZ3-CB 4.22Å; W153-V257 HydrophobicContact CZ3-CG2 3.9Å; W153-V257 WeakPolarHBondContact CZ3-O 3.31Å; I162-V257 HydrophobicContact CD1-CG2 4.31Å; I162-V257 HydrophobicContact CG1-CG2 4.34Å; I162-V257 HydrophobicContact CG2-CG2 4.35Å; Y213-V257 WeakPolarHBondContact O-CG2 3.48Å; Y213-V257 PolarHBondContact O-N 2.81Å; F215-V257 HydrophobicContact CB-CG1 3.62Å; F215-V257 HydrophobicContact CB-CG2 4.12Å; L255-V257 HydrophobicContact CD2-CG1 4.23Å; L255-V257 HydrophobicContact CG-CG1 4.18Å; L255-V257 PolarHBondContact O-N 3.38Å; V257-Y279 VanDerWaalsContact O-CB 3.25Å; V257-Y279 WeakPolarHBondContact O-CB 3.46Å; V257-Y279 PolarHBondContact O-N 3.48Å; V257-L282 HydrophobicContact CB-CD2 4.26Å; V257-F324 HydrophobicContact CG1-CE1 4.13Å; V257-F324 HydrophobicContact CG1-CZ 4.07Å
258	S	94.2	Very high	90.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	169.3	164.7	77	0	0	0	0	112.3	N212 Y213 S256 Q276 T277	N212-S258 PolarHBondContact OD1-O 3.4Å; Y213-S258 WeakPolarHBondContact CD2-OG 3.28Å; Y213-S258 PolarHBondContact N-OG 2.87Å; Y213-S258 PolarHBondContact O-N 3Å; S256-S258 PolarHBondContact OG-O 3.45Å; S258-Q276 PolarHBondContact OG-OE1 2.9Å; S258-T277 CarbonylContact C-O 3.59Å; S258-T277 WeakPolarHBondContact CA-O 3.31Å; S258-T277 WeakPolarHBondContact CB-O 3.16Å
259	R	88.9	Confident	90.8	Very high	13 Å²	13	53.2 Å²	53.2	5%	0.049	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	150.4	171	-61.8	-64.1	-178.1	-82.2	-2	109.7	N212 S256 R261 L264 Q276 T277	N212-R259 WeakPolarHBondContact OD1-CA 3.3Å; S256-R259 PolarHBondContact O-NH1 3.17Å; S256-R259 VanDerWaalsContact O-NH1 3.11Å; S256-R259 PolarHBondContact OG-NH1 3.22Å; R259-R261 PolarHBondContact O-N 3.27Å; R259-L264 HydrophobicContact CB-CB 4.36Å; R259-L264 HydrophobicContact CB-CD2 4.28Å; R259-L264 HydrophobicContact CG-CD2 4.4Å; R259-Q276 WeakPolarHBondContact O-CA 3.48Å; R259-Q276 PolarHBondContact O-OE1 3.29Å; R259-T277 PolarHBondContact N-O 3.14Å; R259-T277 PolarHBondContact O-N 2.71Å
260	Q	89.8	Confident	91.1	Very high	61 Å²	61	47.6 Å²	47.6	29%	0.285	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	133.2	172.6	-67.2	-173.7	-0.8	0	0	111.5	S262 R263 L264	Q260-S262 PolarHBondContact O-N 3.42Å; Q260-R263 PolarHBondContact O-N 3.43Å; Q260-L264 PolarHBondContact O-N 2.91Å; Q260-L264 VanDerWaalsContact O-N 3.1Å
261	R	89.3	Confident	91.4	Very high	103 Å²	103	44.4 Å²	44.4	39%	0.389	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-27	-178.2	-170.8	169.2	-173.8	173	2.7	113.4	R259 R263 L264 Q265 P274 E275	R259-R261 PolarHBondContact O-N 3.27Å; R261-R263 PolarHBondContact O-N 2.92Å; R261-L264 WeakPolarHBondContact CA-O 3.16Å; R261-L264 CarbonylContact O-C 3.49Å; R261-L264 PolarHBondContact O-N 3.05Å; R261-Q265 VanDerWaalsContact O-CG 3.25Å; R261-Q265 WeakPolarHBondContact O-CG 3.42Å; R261-P274 WeakPolarHBondContact CD-O 3.26Å; R261-P274 PolarHBondContact NH1-O 3.5Å; R261-E275 VanDerWaalsContact CB-O 3.28Å; R261-E275 WeakPolarHBondContact CB-O 3.43Å; R261-E275 PolarHBondContact N-O 2.95Å
262	S	86.7	Confident	91.8	Very high	86 Å²	86	41.6 Å²	41.6	60%	0.601	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.8	171.8	57.6	0	0	0	0	112.8	Q260	Q260-S262 PolarHBondContact O-N 3.42Å
263	R	80.7	Confident	92	Very high	62 Å²	62	41.8 Å²	41.8	23%	0.234	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-36.5	177.1	-64.6	-178.1	66.2	-165.5	1.3	113.2	Y171 M208 E210 Q260 R261	Y171-R263 VanDerWaalsContact CD1-NH2 3.34Å; M208-R263 PolarHBondContact SD-NH1 3.33Å; M208-R263 PolarHBondContact SD-NH2 3.43Å; E210-R263 WeakPolarHBondContact OE1-CD 3.32Å; E210-R263 IonicContact OE1-CZ 3.2Å; E210-R263 IonicContact OE1-NE 3.48Å; E210-R263 IonicContact OE1-NH1 2.88Å; E210-R263 PolarHBondContact OE1-NH1 2.75Å; E210-R263 IonicContact OE2-NH1 3.32Å; E210-R263 PolarHBondContact OE2-NH1 2.97Å; Q260-R263 PolarHBondContact O-N 3.43Å; R261-R263 PolarHBondContact O-N 2.92Å
264	L	85.3	Confident	92.1	Very high	14 Å²	14	41.1 Å²	41.1	7%	0.073	24%	0.238	C	C	.	.			trans	-127.6	96.2	-176.2	178.3	58.1	0	0	0	110.4	L99 R259 Q260 R261 T277	L99-L264 HydrophobicContact CB-CD1 4.15Å; R259-L264 HydrophobicContact CB-CB 4.36Å; R259-L264 HydrophobicContact CB-CD2 4.28Å; R259-L264 HydrophobicContact CG-CD2 4.4Å; Q260-L264 PolarHBondContact O-N 2.91Å; Q260-L264 VanDerWaalsContact O-N 3.1Å; R261-L264 WeakPolarHBondContact CA-O 3.16Å; R261-L264 CarbonylContact O-C 3.49Å; R261-L264 PolarHBondContact O-N 3.05Å; L264-T277 HydrophobicContact CD2-CG2 4.06Å; L264-T277 HydrophobicContact CG-CG2 4.1Å; L264-T277 PolarHBondContact O-OG1 3.11Å
265	Q	89.8	Confident	92.1	Very high	126 Å²	126	46 Å²	46	59%	0.589	26%	0.26	S	S	*	.			trans	-88.3	-28.8	-179.4	-60.5	178.3	27.1	0	0	111.9	R261 G267	R261-Q265 VanDerWaalsContact O-CG 3.25Å; R261-Q265 WeakPolarHBondContact O-CG 3.42Å; Q265-G267 PolarHBondContact O-N 3.03Å
266	W	95.1	Very high	92.3	Very high	50 Å²	50	45.6 Å²	45.6	19%	0.189	26%	0.258	C	S	.	.	S	Bend	trans	-91.9	87.5	-176.6	-168.9	-115.9	0	0	0	112.6	E96 G98 Q102 P112 L113 T141	E96-W266 VanDerWaalsContact O-CD1 3.31Å; E96-W266 PolarHBondContact O-NE1 3.37Å; G98-W266 PolarHBondContact N-O 3.36Å; Q102-W266 HydrophobicContact CB-CB 4.01Å; Q102-W266 HydrophobicContact CG-CB 4.13Å; P112-W266 HydrophobicContact CB-CD2 3.29Å; P112-W266 HydrophobicContact CB-CE3 3.56Å; P112-W266 HydrophobicContact CB-CG 3.77Å; P112-W266 HydrophobicContact CB-CH2 4.08Å; P112-W266 HydrophobicContact CB-CZ2 3.81Å; P112-W266 HydrophobicContact CB-CZ3 3.94Å; P112-W266 HydrophobicContact CG-CD2 4.05Å; P112-W266 HydrophobicContact CG-CE3 4.06Å; P112-W266 HydrophobicContact CG-CG 4.33Å; L113-W266 HydrophobicContact CB-CH2 3.69Å; L113-W266 HydrophobicContact CB-CZ2 4.26Å; L113-W266 HydrophobicContact CD1-CH2 4.25Å; L113-W266 HydrophobicContact CD1-CZ2 4.5Å; T141-W266 HydrophobicContact CG2-CH2 4.45Å; T141-W266 HydrophobicContact CG2-CZ2 3.83Å
267	G	95.1	Very high	92.5	Very high	21 Å²	21	45.5 Å²	45.5	22%	0.216	26%	0.257	C	S	.	.	S	Bend	trans	179.6	-177.2	176.6	0	0	0	0	0	113.5	Q265	Q265-G267 PolarHBondContact O-N 3.03Å
268	I	97.1	Very high	92.6	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.026	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-79.2	125.1	179	-58.5	174.6	0	0	0	109.5	R146 V149 E150 I278 D283	R146-I268 HydrophobicContact CB-CD1 4.43Å; R146-I268 HydrophobicContact CG-CG2 4.18Å; V149-I268 HydrophobicContact CB-CD1 3.86Å; V149-I268 HydrophobicContact CG1-CD1 3.93Å; V149-I268 HydrophobicContact CG2-CD1 3.91Å; E150-I268 HydrophobicContact CG-CG2 4.25Å; I268-I278 HydrophobicContact CB-CD1 4.44Å; I268-I278 HydrophobicContact CG2-CD1 3.96Å; I268-I278 WeakPolarHBondContact O-CB 3.45Å; I268-I278 PolarHBondContact O-N 3.05Å; I268-D283 WeakPolarHBondContact CD1-OD1 3.3Å
269	P	97.1	Very high	92.4	Very high	29 Å²	29	46.2 Å²	46.2	19%	0.188	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	148.8	177.9	28.9	-34.1	0	0	0	111.3	P271	P269-P271 WeakPolarHBondContact O-CD 3.48Å
270	V	97.3	Very high	92.4	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.03	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	128.6	173.7	171.3	0	0	0	0	109.5	W153 Y213 G272 D273 Q276 I278	W153-V270 HydrophobicContact CH2-CG1 4.3Å; W153-V270 HydrophobicContact CH2-CG2 3.84Å; W153-V270 HydrophobicContact CZ2-CB 4.32Å; W153-V270 HydrophobicContact CZ2-CG1 3.48Å; W153-V270 VanDerWaalsContact CZ2-CG1 3.48Å; W153-V270 HydrophobicContact CZ2-CG2 3.88Å; W153-V270 HydrophobicContact CZ3-CG2 4.4Å; Y213-V270 HydrophobicContact CD2-CG1 4.2Å; Y213-V270 HydrophobicContact CD2-CG2 4.16Å; Y213-V270 HydrophobicContact CE2-CB 4.43Å; Y213-V270 HydrophobicContact CE2-CG1 3.83Å; Y213-V270 HydrophobicContact CE2-CG2 4.36Å; V270-G272 PolarHBondContact O-N 3.33Å; V270-G272 VanDerWaalsContact O-N 3.11Å; V270-D273 HydrophobicContact CB-CB 4.29Å; V270-D273 HydrophobicContact CG1-CB 4.07Å; V270-D273 CarbonylContact O-C 3.43Å; V270-D273 PolarHBondContact O-N 2.96Å; V270-Q276 HydrophobicContact CB-CB 4.04Å; V270-Q276 HydrophobicContact CG2-CB 3.68Å; V270-Q276 PolarHBondContact N-O 3.45Å; V270-I278 HydrophobicContact CG2-CG1 3.86Å
271	P	95.8	Very high	92.4	Very high	47 Å²	47	45.3 Å²	45.3	31%	0.305	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	118.5	175	-27.5	34.2	0	0	0	111.7	E150 W153 P269	E150-P271 HydrophobicContact CB-CG 4.12Å; E150-P271 HydrophobicContact CG-CG 4.14Å; W153-P271 HydrophobicContact CB-CG 4.37Å; W153-P271 HydrophobicContact CG-CG 4.2Å; P269-P271 WeakPolarHBondContact O-CD 3.48Å
272	G	94.4	Very high	92.7	Very high	89 Å²	89	40.4 Å²	40.4	92%	0.918	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.9	-2.7	-179.5	0	0	0	0	0	115.8	V270	V270-G272 PolarHBondContact O-N 3.33Å; V270-G272 VanDerWaalsContact O-N 3.11Å
273	D	95.6	Very high	93.2	Very high	24 Å²	24	36.4 Å²	36.4	13%	0.128	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	86.8	178.2	-170.2	-9.8	0	0	0	110.8	Y213 V270 E275 Q276	Y213-D273 HydrophobicContact CE2-CB 4.18Å; Y213-D273 VanDerWaalsContact CE2-OD2 3.31Å; Y213-D273 WeakPolarHBondContact CE2-OD2 3.33Å; Y213-D273 WeakPolarHBondContact OH-CB 3.47Å; Y213-D273 PolarHBondContact OH-OD2 3.27Å; V270-D273 HydrophobicContact CB-CB 4.29Å; V270-D273 HydrophobicContact CG1-CB 4.07Å; V270-D273 CarbonylContact O-C 3.43Å; V270-D273 PolarHBondContact O-N 2.96Å; D273-E275 PolarHBondContact O-N 3.48Å; D273-E275 PolarHBondContact OD1-N 3.13Å; D273-Q276 PolarHBondContact O-N 3.06Å
274	P	91.6	Very high	94	Very high	73 Å²	73	33.6 Å²	33.6	47%	0.474	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	-8.1	-174.7	31.2	-36.4	0	0	0	114	R261	R261-P274 WeakPolarHBondContact CD-O 3.26Å; R261-P274 PolarHBondContact NH1-O 3.5Å
275	E	94	Very high	94.6	Very high	134 Å²	134	33 Å²	33	63%	0.626	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81	-6.3	175.2	-62.2	-57	132.8	0	0	112.2	R261 D273	R261-E275 VanDerWaalsContact CB-O 3.28Å; R261-E275 WeakPolarHBondContact CB-O 3.43Å; R261-E275 PolarHBondContact N-O 2.95Å; D273-E275 PolarHBondContact O-N 3.48Å; D273-E275 PolarHBondContact OD1-N 3.13Å
276	Q	94.8	Very high	95.1	Very high	10 Å²	10	27 Å²	27	5%	0.047	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.9	-178.4	-68	-77.4	-26.4	0	0	110.5	E211 N212 Y213 S258 R259 V270 D273	E211-Q276 PolarHBondContact O-NE2 3.35Å; N212-Q276 PolarHBondContact OD1-OE1 3.17Å; Y213-Q276 HydrophobicContact CD2-CB 4.27Å; Y213-Q276 HydrophobicContact CD2-CG 4.22Å; Y213-Q276 HydrophobicContact CE2-CB 4.06Å; Y213-Q276 HydrophobicContact CE2-CG 3.9Å; S258-Q276 PolarHBondContact OG-OE1 2.9Å; R259-Q276 WeakPolarHBondContact O-CA 3.48Å; R259-Q276 PolarHBondContact O-OE1 3.29Å; V270-Q276 HydrophobicContact CB-CB 4.04Å; V270-Q276 HydrophobicContact CG2-CB 3.68Å; V270-Q276 PolarHBondContact N-O 3.45Å; D273-Q276 PolarHBondContact O-N 3.06Å
277	T	95.4	Very high	95.2	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	133.2	176	-56.5	0	0	0	0	108.6	S258 R259 L264	S258-T277 CarbonylContact C-O 3.59Å; S258-T277 WeakPolarHBondContact CA-O 3.31Å; S258-T277 WeakPolarHBondContact CB-O 3.16Å; R259-T277 PolarHBondContact N-O 3.14Å; R259-T277 PolarHBondContact O-N 2.71Å; L264-T277 HydrophobicContact CD2-CG2 4.06Å; L264-T277 HydrophobicContact CG-CG2 4.1Å; L264-T277 PolarHBondContact O-OG1 3.11Å
278	I	96.4	Very high	95.4	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	136.9	176.3	-65.1	179.3	0	0	0	109.4	V149 W153 I268 V270 L282 D283	V149-I278 HydrophobicContact CG1-CD1 3.73Å; V149-I278 HydrophobicContact CG1-CG2 4.26Å; W153-I278 HydrophobicContact CB-CD1 4.37Å; W153-I278 HydrophobicContact CD2-CD1 4.21Å; W153-I278 HydrophobicContact CD2-CG1 4.4Å; W153-I278 HydrophobicContact CE3-CD1 3.84Å; W153-I278 HydrophobicContact CE3-CG1 3.78Å; W153-I278 HydrophobicContact CE3-CG2 4.24Å; W153-I278 HydrophobicContact CG-CD1 4.44Å; W153-I278 HydrophobicContact CZ3-CD1 4.5Å; W153-I278 HydrophobicContact CZ3-CG1 3.94Å; W153-I278 HydrophobicContact CZ3-CG2 4.26Å; I268-I278 HydrophobicContact CB-CD1 4.44Å; I268-I278 HydrophobicContact CG2-CD1 3.96Å; I268-I278 WeakPolarHBondContact O-CB 3.45Å; I268-I278 PolarHBondContact O-N 3.05Å; V270-I278 HydrophobicContact CG2-CG1 3.86Å; I278-L282 HydrophobicContact CG2-CB 4.12Å; I278-L282 HydrophobicContact CG2-CD2 4.08Å; I278-L282 HydrophobicContact CG2-CG 4.34Å; I278-D283 HydrophobicContact CG2-CB 4.41Å
279	Y	90.2	Very high	95.5	Very high	14 Å²	14	23.6 Å²	23.6	6%	0.055	15%	0.147	C	C	.	.			trans	-64.6	135.8	178.6	179.1	-135.3	0	0	0	111.6	E176 L255 S256 V257 W281 L282 D283	E176-Y279 PolarHBondContact O-OH 3.37Å; L255-Y279 HydrophobicContact CD1-CE1 4.4Å; S256-Y279 WeakPolarHBondContact O-CD1 3.26Å; V257-Y279 VanDerWaalsContact O-CB 3.25Å; V257-Y279 WeakPolarHBondContact O-CB 3.46Å; V257-Y279 PolarHBondContact O-N 3.48Å; Y279-W281 HydrophobicContact CD1-CB 3.99Å; Y279-W281 HydrophobicContact CE1-CB 3.74Å; Y279-W281 AromaticContact CE1-CD1 3.42Å; Y279-W281 VanDerWaalsContact CE1-CD1 3.42Å; Y279-W281 AromaticContact CE1-CG 3.92Å; Y279-W281 HydrophobicContact CE1-CG 3.92Å; Y279-W281 AromaticContact CE2-CD1 3.8Å; Y279-W281 AromaticContact CZ-CD1 3.18Å; Y279-W281 AromaticContact CZ-NE1 4Å; Y279-W281 PolarHBondContact O-N 3.13Å; Y279-W281 PolarHBondContact OH-NE1 3.39Å; Y279-L282 PolarHBondContact O-N 3.27Å; Y279-D283 PolarHBondContact O-N 3.29Å
280	V	88.2	Confident	95.5	Very high	6 Å²	6	22.5 Å²	22.5	4%	0.036	14%	0.14	C	C	.	.	H	α-helix	trans	-53.2	-34.3	-174.1	69.5	0	0	0	0	113.9	Y58 D283 A284	Y58-V280 HydrophobicContact CE2-CG2 3.91Å; Y58-V280 WeakPolarHBondContact OH-CG2 3.36Å; V280-D283 WeakPolarHBondContact O-CB 3.46Å; V280-D283 PolarHBondContact O-N 2.97Å; V280-A284 WeakPolarHBondContact O-CA 3.06Å; V280-A284 WeakPolarHBondContact O-CB 3.45Å; V280-A284 PolarHBondContact O-N 2.83Å
281	W	89.9	Confident	95.6	Very high	49 Å²	49	22.6 Å²	22.6	19%	0.186	14%	0.14	C	C	.	.	H	α-helix	trans	-74.1	-30.5	179.7	-68.3	88.9	0	0	0	113.5	Y279 L285 I313 F316	Y279-W281 HydrophobicContact CD1-CB 3.99Å; Y279-W281 HydrophobicContact CE1-CB 3.74Å; Y279-W281 AromaticContact CE1-CD1 3.42Å; Y279-W281 VanDerWaalsContact CE1-CD1 3.42Å; Y279-W281 AromaticContact CE1-CG 3.92Å; Y279-W281 HydrophobicContact CE1-CG 3.92Å; Y279-W281 AromaticContact CE2-CD1 3.8Å; Y279-W281 AromaticContact CZ-CD1 3.18Å; Y279-W281 AromaticContact CZ-NE1 4Å; Y279-W281 PolarHBondContact O-N 3.13Å; Y279-W281 PolarHBondContact OH-NE1 3.39Å; W281-L285 WeakPolarHBondContact O-CB 3.42Å; W281-L285 VanDerWaalsContact O-CD1 3.27Å; W281-L285 WeakPolarHBondContact O-CD1 3.3Å; W281-L285 WeakPolarHBondContact O-CG 3.34Å; W281-L285 PolarHBondContact O-N 3.17Å; W281-I313 HydrophobicContact CH2-CB 4.33Å; W281-I313 HydrophobicContact CH2-CG2 3.73Å; W281-I313 HydrophobicContact CZ3-CG2 4.32Å; W281-F316 HydrophobicContact CB-CD1 4.44Å; W281-F316 AromaticContact CD1-CE1 3.93Å; W281-F316 HydrophobicContact CD2-CB 4.16Å; W281-F316 AromaticContact CD2-CD1 3.28Å; W281-F316 HydrophobicContact CD2-CD1 3.28Å; W281-F316 HydrophobicContact CD2-CD2 4.14Å; W281-F316 AromaticContact CD2-CE1 3.61Å; W281-F316 HydrophobicContact CD2-CE1 3.61Å; W281-F316 HydrophobicContact CD2-CE2 4.42Å; W281-F316 AromaticContact CD2-CG 3.59Å; W281-F316 HydrophobicContact CD2-CG 3.59Å; W281-F316 HydrophobicContact CD2-CZ 4.18Å; W281-F316 AromaticContact CE2-CD1 3.51Å; W281-F316 AromaticContact CE2-CD2 3.99Å; W281-F316 AromaticContact CE2-CE1 3.31Å; W281-F316 AromaticContact CE2-CE2 3.83Å; W281-F316 AromaticContact CE2-CG 3.87Å; W281-F316 AromaticContact CE2-CZ 3.49Å; W281-F316 VanDerWaalsContact CE2-CZ 3.49Å; W281-F316 HydrophobicContact CE3-CB 3.57Å; W281-F316 AromaticContact CE3-CD1 3.63Å; W281-F316 HydrophobicContact CE3-CD1 3.63Å; W281-F316 AromaticContact CE3-CD2 3.9Å; W281-F316 HydrophobicContact CE3-CD2 3.9Å; W281-F316 HydrophobicContact CE3-CE1 4.31Å; W281-F316 AromaticContact CE3-CG 3.41Å; W281-F316 HydrophobicContact CE3-CG 3.41Å; W281-F316 VanDerWaalsContact CE3-CG 3.41Å; W281-F316 AromaticContact CG-CD1 3.68Å; W281-F316 HydrophobicContact CG-CD1 3.68Å; W281-F316 AromaticContact CG-CE1 3.93Å; W281-F316 HydrophobicContact CG-CE1 3.93Å; W281-F316 HydrophobicContact CG-CG 4.4Å; W281-F316 HydrophobicContact CH2-CB 4.49Å; W281-F316 HydrophobicContact CH2-CD1 4.3Å; W281-F316 AromaticContact CH2-CD2 3.36Å; W281-F316 HydrophobicContact CH2-CD2 3.36Å; W281-F316 HydrophobicContact CH2-CE1 4.43Å; W281-F316 AromaticContact CH2-CE2 3.53Å; W281-F316 HydrophobicContact CH2-CE2 3.53Å; W281-F316 AromaticContact CH2-CG 3.81Å; W281-F316 HydrophobicContact CH2-CG 3.81Å; W281-F316 HydrophobicContact CH2-CZ 4.08Å; W281-F316 HydrophobicContact CZ2-CD1 4.02Å; W281-F316 AromaticContact CZ2-CD2 3.62Å; W281-F316 HydrophobicContact CZ2-CD2 3.62Å; W281-F316 AromaticContact CZ2-CE1 3.76Å; W281-F316 HydrophobicContact CZ2-CE1 3.76Å; W281-F316 AromaticContact CZ2-CE2 3.34Å; W281-F316 HydrophobicContact CZ2-CE2 3.34Å; W281-F316 AromaticContact CZ2-CG 3.97Å; W281-F316 HydrophobicContact CZ2-CG 3.97Å; W281-F316 AromaticContact CZ2-CZ 3.42Å; W281-F316 HydrophobicContact CZ2-CZ 3.42Å; W281-F316 VanDerWaalsContact CZ2-CZ 3.42Å; W281-F316 HydrophobicContact CZ3-CB 3.77Å; W281-F316 HydrophobicContact CZ3-CD1 4.13Å; W281-F316 AromaticContact CZ3-CD2 3.52Å; W281-F316 HydrophobicContact CZ3-CD2 3.52Å; W281-F316 HydrophobicContact CZ3-CE2 4.15Å; W281-F316 AromaticContact CZ3-CG 3.53Å; W281-F316 HydrophobicContact CZ3-CG 3.53Å; W281-F316 AromaticContact NE1-CD1 3.97Å; W281-F316 AromaticContact NE1-CE1 3.47Å; W281-F316 AromaticContact NE1-CZ 3.83Å
282	L	96.2	Very high	95.7	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-71.7	-41.9	173.7	-177.4	65.4	0	0	0	110.3	F152 W153 L156 V257 I278 Y279 V286 F324	F152-L282 HydrophobicContact CD1-CD1 3.97Å; F152-L282 HydrophobicContact CE1-CD1 3.84Å; W153-L282 HydrophobicContact CE3-CD2 3.47Å; W153-L282 VanDerWaalsContact CE3-CD2 3.47Å; W153-L282 HydrophobicContact CZ3-CD2 3.74Å; L156-L282 HydrophobicContact CD1-CD1 4.23Å; V257-L282 HydrophobicContact CB-CD2 4.26Å; I278-L282 HydrophobicContact CG2-CB 4.12Å; I278-L282 HydrophobicContact CG2-CD2 4.08Å; I278-L282 HydrophobicContact CG2-CG 4.34Å; Y279-L282 PolarHBondContact O-N 3.27Å; L282-V286 VanDerWaalsContact O-CG2 3.22Å; L282-V286 WeakPolarHBondContact O-CG2 3.42Å; L282-F324 HydrophobicContact CB-CE2 4.39Å; L282-F324 HydrophobicContact CB-CZ 4.46Å; L282-F324 HydrophobicContact CD1-CD1 4.12Å; L282-F324 HydrophobicContact CD1-CD2 3.78Å; L282-F324 HydrophobicContact CD1-CE1 4.11Å; L282-F324 HydrophobicContact CD1-CE2 3.77Å; L282-F324 HydrophobicContact CD1-CG 3.97Å; L282-F324 HydrophobicContact CD1-CZ 3.94Å
283	D	97.5	Very high	95.8	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-56.8	-64.4	172	176.4	20.2	0	0	0	110.7	H97 H145 I268 I278 Y279 V280 L285 V286	H97-D283 IonicContact CE1-OD2 2.95Å; H97-D283 IonicContact CG-OD2 2.71Å; H97-D283 IonicContact ND1-OD2 2.79Å; H97-D283 PolarHBondContact ND1-OD2 3.48Å; H145-D283 IonicContact CD2-OD1 3.31Å; H145-D283 PolarHBondContact CD2-OD1 3.48Å; H145-D283 PolarHBondContact CE1-O 3.04Å; H145-D283 IonicContact CE1-OD1 2.88Å; H145-D283 PolarHBondContact NE2-O 3.28Å; H145-D283 VanDerWaalsContact NE2-O 3.17Å; H145-D283 IonicContact NE2-OD1 3.11Å; H145-D283 PolarHBondContact NE2-OD1 2.72Å; I268-D283 WeakPolarHBondContact CD1-OD1 3.3Å; I278-D283 HydrophobicContact CG2-CB 4.41Å; Y279-D283 PolarHBondContact O-N 3.29Å; V280-D283 WeakPolarHBondContact O-CB 3.46Å; V280-D283 PolarHBondContact O-N 2.97Å; D283-L285 PolarHBondContact O-N 3.21Å; D283-V286 PolarHBondContact O-N 2.97Å; D283-V286 VanDerWaalsContact O-N 3.11Å
284	A	97.3	Very high	95.9	Very high	4 Å²	4	17.2 Å²	17.2	3%	0.033	9%	0.093	C	C	.	.	H	α-helix	trans	-55.6	-47.5	-176.6	0	0	0	0	0	112.6	I56 D95 V280 V286 N287	I56-A284 HydrophobicContact CD1-CB 3.74Å; I56-A284 HydrophobicContact CG1-CB 4.4Å; D95-A284 WeakPolarHBondContact OD2-CB 3.38Å; V280-A284 WeakPolarHBondContact O-CA 3.06Å; V280-A284 WeakPolarHBondContact O-CB 3.45Å; V280-A284 PolarHBondContact O-N 2.83Å; A284-V286 PolarHBondContact O-N 3.17Å; A284-N287 VanDerWaalsContact O-CB 3.23Å; A284-N287 WeakPolarHBondContact O-CB 3.43Å; A284-N287 PolarHBondContact O-N 2.76Å; A284-N287 PolarHBondContact O-ND2 2.91Å
285	L	98.6	Very high	96.1	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-64.1	-26.2	-176.7	-72.5	169.1	0	0	0	113.5	W281 D283 N287 Y288 W321 F324	W281-L285 WeakPolarHBondContact O-CB 3.42Å; W281-L285 VanDerWaalsContact O-CD1 3.27Å; W281-L285 WeakPolarHBondContact O-CD1 3.3Å; W281-L285 WeakPolarHBondContact O-CG 3.34Å; W281-L285 PolarHBondContact O-N 3.17Å; D283-L285 PolarHBondContact O-N 3.21Å; L285-N287 PolarHBondContact O-N 2.96Å; L285-Y288 HydrophobicContact CD2-CE2 3.85Å; L285-Y288 WeakPolarHBondContact O-CD2 3.31Å; L285-W321 HydrophobicContact CB-CD2 4.11Å; L285-W321 HydrophobicContact CB-CE3 3.69Å; L285-W321 HydrophobicContact CB-CZ3 4.08Å; L285-W321 HydrophobicContact CD1-CB 3.79Å; L285-W321 HydrophobicContact CD1-CE3 4.42Å; L285-W321 HydrophobicContact CD2-CB 3.88Å; L285-W321 HydrophobicContact CD2-CD2 4.48Å; L285-W321 HydrophobicContact CD2-CG 4.12Å; L285-W321 HydrophobicContact CG-CB 4.32Å; L285-W321 WeakPolarHBondContact O-CH2 3.38Å; L285-F324 HydrophobicContact CD1-CD2 4.01Å; L285-F324 HydrophobicContact CD1-CE2 3.95Å
286	V	98.7	Very high	96.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-69.8	-14.6	177.1	171.2	0	0	0	0	112	A148 V149 F152 L282 D283 A284 Y288 L289 T290	A148-V286 HydrophobicContact CB-CG1 3.9Å; V149-V286 HydrophobicContact CG2-CB 3.89Å; V149-V286 HydrophobicContact CG2-CG1 3.84Å; V149-V286 HydrophobicContact CG2-CG2 4.49Å; F152-V286 HydrophobicContact CB-CG2 4.03Å; F152-V286 HydrophobicContact CD1-CG2 3.84Å; F152-V286 HydrophobicContact CD2-CG2 4.08Å; F152-V286 HydrophobicContact CE1-CG2 4.28Å; F152-V286 HydrophobicContact CG-CG2 3.72Å; L282-V286 VanDerWaalsContact O-CG2 3.22Å; L282-V286 WeakPolarHBondContact O-CG2 3.42Å; D283-V286 PolarHBondContact O-N 2.97Å; D283-V286 VanDerWaalsContact O-N 3.11Å; A284-V286 PolarHBondContact O-N 3.17Å; V286-Y288 PolarHBondContact O-N 3.34Å; V286-Y288 VanDerWaalsContact O-N 3.13Å; V286-L289 WeakPolarHBondContact O-CB 3.43Å; V286-L289 PolarHBondContact O-N 3.23Å; V286-T290 PolarHBondContact O-N 3.39Å; V286-T290 PolarHBondContact O-OG1 3.36Å
287	N	98.8	Very high	96	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.011	12%	0.115	C	C	.	.	H	α-helix	trans	-54.3	-38.8	179.5	89	85.8	0	0	0	111.7	I56 I138 H145 A284 L285 L289 T290 V291	I56-N287 HydrophobicContact CD1-CB 4Å; I56-N287 HydrophobicContact CG2-CB 4.32Å; I56-N287 WeakPolarHBondContact CG2-OD1 3.19Å; I138-N287 HydrophobicContact CG1-CB 4.44Å; I138-N287 HydrophobicContact CG2-CB 4.22Å; H145-N287 PolarHBondContact CE1-N 3.17Å; H145-N287 VanDerWaalsContact CE1-N 3.3Å; A284-N287 VanDerWaalsContact O-CB 3.23Å; A284-N287 WeakPolarHBondContact O-CB 3.43Å; A284-N287 PolarHBondContact O-N 2.76Å; A284-N287 PolarHBondContact O-ND2 2.91Å; L285-N287 PolarHBondContact O-N 2.96Å; N287-L289 PolarHBondContact O-N 3.12Å; N287-T290 WeakPolarHBondContact O-CB 2.94Å; N287-T290 PolarHBondContact O-N 3.38Å; N287-V291 PolarHBondContact O-N 2.88Å; N287-V291 VanDerWaalsContact O-N 3.09Å
288	Y	98.6	Very high	96	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.012	12%	0.119	C	C	.	.	H	α-helix	trans	-61	-33.6	-178.2	-55	-44	0	0	0	112.2	Y51 T53 T54 L285 V286 H307 H317 W321	Y51-Y288 WeakPolarHBondContact CE1-O 3.4Å; Y51-Y288 PolarHBondContact OH-O 3.44Å; T53-Y288 HydrophobicContact CG2-CD1 3.8Å; T53-Y288 HydrophobicContact CG2-CE1 4.43Å; T53-Y288 WeakPolarHBondContact OG1-CE1 3.41Å; T54-Y288 WeakPolarHBondContact O-CE1 3.21Å; L285-Y288 HydrophobicContact CD2-CE2 3.85Å; L285-Y288 WeakPolarHBondContact O-CD2 3.31Å; V286-Y288 PolarHBondContact O-N 3.34Å; V286-Y288 VanDerWaalsContact O-N 3.13Å; Y288-H307 AromaticContact CD2-CE1 3.67Å; Y288-H307 AromaticContact CG-CE1 3.58Å; Y288-H317 AromaticContact CE2-CD2 3.78Å; Y288-H317 AromaticContact CE2-NE2 3.61Å; Y288-H317 AromaticContact CZ-NE2 3.54Å; Y288-H317 PolarHBondContact OH-NE2 3.16Å; Y288-W321 HydrophobicContact CD2-CZ2 4.19Å; Y288-W321 AromaticContact CD2-NE1 3.89Å
289	L	98.6	Very high	95.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-79.9	-40.4	174.6	-74.3	175	0	0	0	111.5	F152 V286 N287 V291 V292 G293 Y294 W302 W321 L325 L330	F152-L289 HydrophobicContact CD2-CD1 4.02Å; F152-L289 HydrophobicContact CE2-CD1 3.79Å; V286-L289 WeakPolarHBondContact O-CB 3.43Å; V286-L289 PolarHBondContact O-N 3.23Å; N287-L289 PolarHBondContact O-N 3.12Å; L289-V291 VanDerWaalsContact C-N 3.33Å; L289-V291 PolarHBondContact O-N 2.75Å; L289-V292 WeakPolarHBondContact O-CG2 3.31Å; L289-V292 PolarHBondContact O-N 3.5Å; L289-G293 PolarHBondContact O-N 2.84Å; L289-Y294 HydrophobicContact CB-CD1 4.3Å; L289-Y294 HydrophobicContact CB-CD2 4.35Å; L289-Y294 HydrophobicContact CB-CG 3.83Å; L289-Y294 HydrophobicContact CD1-CD1 4.48Å; L289-Y294 HydrophobicContact CD1-CD2 4.12Å; L289-Y294 HydrophobicContact CD1-CE2 4.33Å; L289-Y294 HydrophobicContact CD1-CG 4.21Å; L289-Y294 HydrophobicContact CD2-CD2 4.23Å; L289-Y294 HydrophobicContact CG-CG 4.44Å; L289-Y294 WeakPolarHBondContact O-CB 3.39Å; L289-Y294 PolarHBondContact O-N 2.69Å; L289-W302 HydrophobicContact CD2-CD2 3.36Å; L289-W302 HydrophobicContact CD2-CE3 3.55Å; L289-W302 HydrophobicContact CD2-CG 3.81Å; L289-W302 HydrophobicContact CD2-CH2 4.3Å; L289-W302 HydrophobicContact CD2-CZ2 4.12Å; L289-W302 HydrophobicContact CD2-CZ3 4.02Å; L289-W302 HydrophobicContact CG-CD2 4.47Å; L289-W302 HydrophobicContact CG-CE3 4.33Å; L289-W302 HydrophobicContact CG-CZ3 4.34Å; L289-W321 HydrophobicContact CD1-CH2 3.57Å; L289-W321 HydrophobicContact CD1-CZ2 4.28Å; L289-W321 HydrophobicContact CG-CH2 3.87Å; L289-W321 HydrophobicContact CG-CZ2 4.13Å; L289-L325 HydrophobicContact CD1-CD2 4.3Å; L289-L330 HydrophobicContact CD1-CD1 3.55Å; L289-L330 HydrophobicContact CD2-CD1 4.2Å
290	T	98.6	Very high	95.9	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-55.3	-46.7	179.4	-57.7	0	0	0	0	112	I138 R144 H145 A148 V286 N287 V292 G293	I138-T290 HydrophobicContact CD1-CG2 3.91Å; R144-T290 HydrophobicContact CB-CG2 4.4Å; R144-T290 HydrophobicContact CG-CG2 3.93Å; H145-T290 HydrophobicContact CB-CG2 3.97Å; H145-T290 PolarHBondContact ND1-OG1 3.23Å; A148-T290 HydrophobicContact CB-CG2 4.48Å; A148-T290 VanDerWaalsContact CB-OG1 3.31Å; A148-T290 WeakPolarHBondContact CB-OG1 3.24Å; V286-T290 PolarHBondContact O-N 3.39Å; V286-T290 PolarHBondContact O-OG1 3.36Å; N287-T290 WeakPolarHBondContact O-CB 2.94Å; N287-T290 PolarHBondContact O-N 3.38Å; T290-V292 PolarHBondContact O-N 2.9Å; T290-G293 PolarHBondContact O-N 2.85Å
291	V	98	Very high	96.3	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.042	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-33.6	-177.4	170.2	0	0	0	0	112.5	A91 D136 I138 N287 L289 G293	A91-V291 HydrophobicContact CB-CB 4.25Å; A91-V291 HydrophobicContact CB-CG1 3.77Å; A91-V291 HydrophobicContact CB-CG2 4.07Å; D136-V291 HydrophobicContact CB-CG1 3.52Å; I138-V291 HydrophobicContact CB-CG2 3.78Å; I138-V291 HydrophobicContact CG1-CG2 4.29Å; I138-V291 HydrophobicContact CG2-CG2 3.94Å; N287-V291 PolarHBondContact O-N 2.88Å; N287-V291 VanDerWaalsContact O-N 3.09Å; L289-V291 VanDerWaalsContact C-N 3.33Å; L289-V291 PolarHBondContact O-N 2.75Å; V291-G293 VanDerWaalsContact C-N 3.29Å
292	V	97.6	Very high	96.6	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.024	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	4.3	178.9	-63.5	0	0	0	0	113.1	Y51 L289 T290 K297 H298 W301	Y51-V292 HydrophobicContact CD1-CG1 3.81Å; Y51-V292 HydrophobicContact CD2-CG1 4.31Å; Y51-V292 HydrophobicContact CE1-CG1 3.48Å; Y51-V292 VanDerWaalsContact CE1-CG1 3.48Å; Y51-V292 HydrophobicContact CE1-CG2 4.5Å; Y51-V292 HydrophobicContact CE2-CG1 4.03Å; Y51-V292 HydrophobicContact CG-CG1 4.22Å; L289-V292 WeakPolarHBondContact O-CG2 3.31Å; L289-V292 PolarHBondContact O-N 3.5Å; T290-V292 PolarHBondContact O-N 2.9Å; V292-K297 CarbonylContact O-C 3.48Å; V292-H298 HydrophobicContact CG2-CB 3.73Å; V292-H298 VanDerWaalsContact O-CA 3.3Å; V292-H298 WeakPolarHBondContact O-CA 3.49Å; V292-W301 HydrophobicContact CB-CB 3.86Å; V292-W301 HydrophobicContact CB-CG 4.45Å; V292-W301 HydrophobicContact CG1-CB 3.4Å; V292-W301 HydrophobicContact CG1-CG 4.04Å
293	G	97.4	Very high	96.5	Very high	27 Å²	27	34.4 Å²	34.4	28%	0.278	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	27.7	172.2	0	0	0	0	0	114.3	L289 T290 V291 E296 K297	L289-G293 PolarHBondContact O-N 2.84Å; T290-G293 PolarHBondContact O-N 2.85Å; V291-G293 VanDerWaalsContact C-N 3.29Å; G293-E296 PolarHBondContact O-N 3.2Å; G293-K297 PolarHBondContact O-N 3.46Å
294	Y	98.1	Very high	96.5	Very high	16 Å²	16	35.5 Å²	35.5	6%	0.063	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	141.4	169.9	-178.8	-89.1	0	0	0	111.1	A148 H151 F152 L289 H298 L330	A148-Y294 HydrophobicContact CB-CD1 4.03Å; H151-Y294 AromaticContact CD2-CE1 3.75Å; H151-Y294 AromaticContact CD2-CZ 3.71Å; H151-Y294 PolarHBondContact CD2-OH 3.02Å; F152-Y294 HydrophobicContact CB-CE1 4.18Å; F152-Y294 HydrophobicContact CD2-CE1 4.03Å; F152-Y294 AromaticContact CD2-CZ 3.91Å; L289-Y294 HydrophobicContact CB-CD1 4.3Å; L289-Y294 HydrophobicContact CB-CD2 4.35Å; L289-Y294 HydrophobicContact CB-CG 3.83Å; L289-Y294 HydrophobicContact CD1-CD1 4.48Å; L289-Y294 HydrophobicContact CD1-CD2 4.12Å; L289-Y294 HydrophobicContact CD1-CE2 4.33Å; L289-Y294 HydrophobicContact CD1-CG 4.21Å; L289-Y294 HydrophobicContact CD2-CD2 4.23Å; L289-Y294 HydrophobicContact CG-CG 4.44Å; L289-Y294 WeakPolarHBondContact O-CB 3.39Å; L289-Y294 PolarHBondContact O-N 2.69Å; Y294-H298 HydrophobicContact CD2-CB 4.5Å; Y294-H298 AromaticContact CD2-CE1 3.68Å; Y294-H298 AromaticContact CD2-CG 3.8Å; Y294-H298 AromaticContact CD2-ND1 3.57Å; Y294-H298 AromaticContact CD2-NE2 3.96Å; Y294-L330 HydrophobicContact CD2-CD1 4.44Å; Y294-L330 HydrophobicContact CE2-CD1 3.86Å; Y294-L330 HydrophobicContact CE2-CD2 4.3Å
295	P	96.1	Very high	96.5	Very high	31 Å²	31	35.3 Å²	35.3	20%	0.201	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82.7	-15.7	6.3	30.8	-34.4	0	0	0	116.4	H151 H298	H151-P295 HydrophobicContact CB-CG 4.31Å; H151-P295 VanDerWaalsContact CD2-CB 3.47Å; H151-P295 WeakPolarHBondContact CD2-CB 2.86Å; P295-H298 PolarHBondContact O-CE1 3.1Å; P295-H298 PolarHBondContact O-ND1 3.31Å; P295-H298 VanDerWaalsContact O-ND1 3.11Å
296	E	93.8	Very high	96.5	Very high	143 Å²	143	36.8 Å²	36.8	67%	0.668	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-32.6	-162.7	-56	84.5	177.4	0	0	115.9	G293	G293-E296 PolarHBondContact O-N 3.2Å
297	K	92.9	Very high	96.5	Very high	170 Å²	170	36.8 Å²	36.8	74%	0.739	18%	0.176	S	C	*	.	S	Bend	trans	-134.6	19.2	-165.6	-63.8	-173.4	-178.7	179.4	0	115.6	V292 G293 E299	V292-K297 CarbonylContact O-C 3.48Å; G293-K297 PolarHBondContact O-N 3.46Å; K297-E299 PolarHBondContact O-N 2.9Å
298	H	94.8	Very high	96.5	Very high	21 Å²	21	36.7 Å²	36.7	10%	0.097	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-21.8	-172.9	64.5	-76.1	0	0	0	115.7	V292 Y294 P295 R300 W301 W302 L330	V292-H298 HydrophobicContact CG2-CB 3.73Å; V292-H298 VanDerWaalsContact O-CA 3.3Å; V292-H298 WeakPolarHBondContact O-CA 3.49Å; Y294-H298 HydrophobicContact CD2-CB 4.5Å; Y294-H298 AromaticContact CD2-CE1 3.68Å; Y294-H298 AromaticContact CD2-CG 3.8Å; Y294-H298 AromaticContact CD2-ND1 3.57Å; Y294-H298 AromaticContact CD2-NE2 3.96Å; P295-H298 PolarHBondContact O-CE1 3.1Å; P295-H298 PolarHBondContact O-ND1 3.31Å; P295-H298 VanDerWaalsContact O-ND1 3.11Å; H298-R300 VanDerWaalsContact C-N 3.31Å; H298-R300 PolarHBondContact O-N 2.83Å; H298-R300 VanDerWaalsContact O-N 3.17Å; H298-W301 PolarHBondContact O-N 3.49Å; H298-W302 VanDerWaalsContact O-CB 3.31Å; H298-W302 WeakPolarHBondContact O-CB 3.46Å; H298-W302 PolarHBondContact O-N 3.12Å; H298-L330 WeakPolarHBondContact NE2-CD2 3.4Å
299	E	92.4	Very high	96.5	Very high	126 Å²	126	36.5 Å²	36.5	59%	0.589	18%	0.175	S	C	*	.	H	α-helix	trans	-55.9	-38.8	-167.6	-62.3	-177.2	174.7	0	0	114.3	K297 W301 H303	K297-E299 PolarHBondContact O-N 2.9Å; E299-W301 VanDerWaalsContact C-N 3.29Å; E299-W301 PolarHBondContact O-N 2.91Å; E299-H303 PolarHBondContact O-ND1 3.32Å
300	R	92.8	Very high	96.3	Very high	99 Å²	99	36.7 Å²	36.7	37%	0.374	18%	0.177	S	C	.	.	H	α-helix	trans	-59.9	-36.7	-178.1	-179.4	173.6	178.7	-168.9	-5.9	113.1	E47 E87 H298 H303	E47-R300 IonicContact OE2-CZ 2.66Å; E47-R300 IonicContact OE2-NE 2.67Å; E47-R300 PolarHBondContact OE2-NE 3.29Å; E47-R300 VanDerWaalsContact OE2-NE 3.17Å; E47-R300 IonicContact OE2-NH2 3.19Å; E87-R300 IonicContact OE1-NH2 3.4Å; E87-R300 IonicContact OE2-CZ 2.91Å; E87-R300 IonicContact OE2-NH2 3.88Å; E87-R300 PolarHBondContact OE2-NH2 3.49Å; H298-R300 VanDerWaalsContact C-N 3.31Å; H298-R300 PolarHBondContact O-N 2.83Å; H298-R300 VanDerWaalsContact O-N 3.17Å; R300-H303 PolarHBondContact O-CE1 3.4Å; R300-H303 PolarHBondContact O-ND1 2.61Å
301	W	96.1	Very high	96.1	Very high	16 Å²	16	39.3 Å²	39.3	6%	0.061	19%	0.188	C	C	.	.	H	α-helix	trans	-107.9	-28.2	-172.1	-62.4	102.8	0	0	0	112.9	C49 Y51 E87 R89 V292 H298 E299 H303 V304	C49-W301 HydrophobicContact CB-CE3 4.22Å; C49-W301 HydrophobicContact CB-CH2 4.47Å; C49-W301 HydrophobicContact CB-CZ3 3.83Å; Y51-W301 HydrophobicContact CD1-CB 4.44Å; Y51-W301 HydrophobicContact CG-CB 4.44Å; E87-W301 HydrophobicContact CB-CH2 4.15Å; R89-W301 HydrophobicContact CB-CD2 4.44Å; R89-W301 HydrophobicContact CB-CE3 4.08Å; R89-W301 HydrophobicContact CB-CZ3 4.21Å; R89-W301 VanDerWaalsContact CD-CE2 3.48Å; R89-W301 HydrophobicContact CG-CD2 3.91Å; R89-W301 HydrophobicContact CG-CE3 3.86Å; R89-W301 HydrophobicContact CG-CH2 3.84Å; R89-W301 HydrophobicContact CG-CZ2 3.88Å; R89-W301 HydrophobicContact CG-CZ3 3.82Å; R89-W301 VanDerWaalsContact NE-NE1 3.18Å; V292-W301 HydrophobicContact CB-CB 3.86Å; V292-W301 HydrophobicContact CB-CG 4.45Å; V292-W301 HydrophobicContact CG1-CB 3.4Å; V292-W301 HydrophobicContact CG1-CG 4.04Å; H298-W301 PolarHBondContact O-N 3.49Å; E299-W301 VanDerWaalsContact C-N 3.29Å; E299-W301 PolarHBondContact O-N 2.91Å; W301-H303 PolarHBondContact O-N 3.19Å; W301-V304 WeakPolarHBondContact O-CG2 3.14Å; W301-V304 PolarHBondContact O-N 3.25Å
302	W	96.8	Very high	95.7	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-38.1	-171.1	-175.9	-117.9	0	0	0	113.2	Y51 L289 H298 V304 A305 H307 W321 L325 P331	Y51-W302 HydrophobicContact CE1-CE3 4.31Å; Y51-W302 HydrophobicContact CE1-CZ3 4.43Å; L289-W302 HydrophobicContact CD2-CD2 3.36Å; L289-W302 HydrophobicContact CD2-CE3 3.55Å; L289-W302 HydrophobicContact CD2-CG 3.81Å; L289-W302 HydrophobicContact CD2-CH2 4.3Å; L289-W302 HydrophobicContact CD2-CZ2 4.12Å; L289-W302 HydrophobicContact CD2-CZ3 4.02Å; L289-W302 HydrophobicContact CG-CD2 4.47Å; L289-W302 HydrophobicContact CG-CE3 4.33Å; L289-W302 HydrophobicContact CG-CZ3 4.34Å; H298-W302 VanDerWaalsContact O-CB 3.31Å; H298-W302 WeakPolarHBondContact O-CB 3.46Å; H298-W302 PolarHBondContact O-N 3.12Å; W302-V304 PolarHBondContact O-N 3.21Å; W302-A305 HydrophobicContact CD2-CB 4.48Å; W302-A305 HydrophobicContact CE3-CB 3.9Å; W302-A305 HydrophobicContact CH2-CB 4.37Å; W302-A305 HydrophobicContact CZ3-CB 3.85Å; W302-A305 WeakPolarHBondContact O-CB 3.43Å; W302-A305 PolarHBondContact O-N 2.89Å; W302-A305 VanDerWaalsContact O-N 3.15Å; W302-H307 AromaticContact CH2-NE2 3.9Å; W302-W321 AromaticContact CH2-CE2 3.84Å; W302-W321 AromaticContact CH2-CZ2 3.41Å; W302-W321 HydrophobicContact CH2-CZ2 3.41Å; W302-W321 VanDerWaalsContact CH2-CZ2 3.41Å; W302-W321 AromaticContact CH2-NE1 3.72Å; W302-W321 AromaticContact CZ2-CZ2 3.85Å; W302-W321 HydrophobicContact CZ2-CZ2 3.85Å; W302-W321 HydrophobicContact CZ3-CZ2 4.26Å; W302-L325 HydrophobicContact CH2-CD1 4.33Å; W302-L325 HydrophobicContact CH2-CD2 4.34Å; W302-L325 HydrophobicContact CZ2-CD1 3.64Å; W302-L325 HydrophobicContact CZ2-CD2 3.48Å; W302-L325 VanDerWaalsContact CZ2-CD2 3.48Å; W302-L325 HydrophobicContact CZ2-CG 4.2Å; W302-P331 VanDerWaalsContact CD1-CG 3.44Å; W302-P331 PolarHBondContact NE1-O 2.82Å
303	H	94.1	Very high	95.5	Very high	44 Å²	44	43.9 Å²	43.9	20%	0.204	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-12.8	-179.7	72.6	-79.3	0	0	0	114	E299 R300 W301 Q334	E299-H303 PolarHBondContact O-ND1 3.32Å; R300-H303 PolarHBondContact O-CE1 3.4Å; R300-H303 PolarHBondContact O-ND1 2.61Å; W301-H303 PolarHBondContact O-N 3.19Å; H303-Q334 WeakPolarHBondContact O-CG 3.41Å; H303-Q334 PolarHBondContact O-NE2 3.28Å
304	V	96.1	Very high	95.5	Very high	25 Å²	25	42.7 Å²	42.7	15%	0.152	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	18.5	175.2	-65	0	0	0	0	112.7	C49 Y51 W301 W302 H306	C49-V304 HydrophobicContact CB-CG2 4.17Å; Y51-V304 PolarHBondContact N-O 2.83Å; W301-V304 WeakPolarHBondContact O-CG2 3.14Å; W301-V304 PolarHBondContact O-N 3.25Å; W302-V304 PolarHBondContact O-N 3.21Å; V304-H306 PolarHBondContact O-CE1 3.04Å; V304-H306 PolarHBondContact O-ND1 2.85Å
305	A	98	Very high	95.3	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	131.9	-176.8	0	0	0	0	0	113	Y51 W302 Q334	Y51-A305 HydrophobicContact CD1-CB 3.7Å; Y51-A305 HydrophobicContact CE1-CB 4.25Å; Y51-A305 CarbonylContact O-C 3.6Å; Y51-A305 WeakPolarHBondContact O-CA 3.41Å; W302-A305 HydrophobicContact CD2-CB 4.48Å; W302-A305 HydrophobicContact CE3-CB 3.9Å; W302-A305 HydrophobicContact CH2-CB 4.37Å; W302-A305 HydrophobicContact CZ3-CB 3.85Å; W302-A305 WeakPolarHBondContact O-CB 3.43Å; W302-A305 PolarHBondContact O-N 2.89Å; W302-A305 VanDerWaalsContact O-N 3.15Å; A305-Q334 WeakPolarHBondContact O-CB 3.36Å; A305-Q334 PolarHBondContact O-N 2.92Å
306	H	98.5	Very high	95.3	Very high	31 Å²	31	46.3 Å²	46.3	14%	0.144	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.1	171.5	-64.7	65.5	0	0	0	108.7	F50 Y51 I52 T53 V304 V335 H337	F50-H306 AromaticContact CD2-CE1 3.94Å; F50-H306 AromaticContact CD2-ND1 3.85Å; F50-H306 HydrophobicContact CE2-CB 4.24Å; F50-H306 AromaticContact CE2-CD2 3.82Å; F50-H306 AromaticContact CE2-CE1 3.57Å; F50-H306 AromaticContact CE2-CG 3.58Å; F50-H306 AromaticContact CE2-ND1 3.39Å; F50-H306 WeakPolarHBondContact CE2-ND1 3.43Å; F50-H306 AromaticContact CE2-NE2 3.83Å; F50-H306 HydrophobicContact CZ-CB 4.24Å; Y51-H306 PolarHBondContact O-N 3.11Å; I52-H306 CarbonylContact C-O 3.5Å; I52-H306 WeakPolarHBondContact CA-O 3.45Å; I52-H306 HydrophobicContact CG1-CB 4.45Å; T53-H306 PolarHBondContact N-O 2.99Å; V304-H306 PolarHBondContact O-CE1 3.04Å; V304-H306 PolarHBondContact O-ND1 2.85Å; H306-V335 WeakPolarHBondContact CA-O 3.3Å; H306-H337 AromaticContact CD2-NE2 3.52Å
307	H	98.7	Very high	95.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.8	-179.6	-62.3	-46.3	0	0	0	110.2	T53 Y288 W302 I309 W321 V335 I336 H337	T53-H307 PolarHBondContact OG1-ND1 3.23Å; Y288-H307 AromaticContact CD2-CE1 3.67Å; Y288-H307 AromaticContact CG-CE1 3.58Å; W302-H307 AromaticContact CH2-NE2 3.9Å; H307-I309 HydrophobicContact CB-CG2 4.43Å; H307-W321 AromaticContact NE2-CD1 3.94Å; H307-W321 AromaticContact NE2-NE1 3.34Å; H307-W321 PolarHBondContact NE2-NE1 2.75Å; H307-V335 PolarHBondContact N-O 3.23Å; H307-I336 CarbonylContact O-C 3.02Å; H307-H337 WeakPolarHBondContact O-CA 3.47Å; H307-H337 WeakPolarHBondContact O-CB 3.46Å; H307-H337 PolarHBondContact O-N 3.28Å
308	V	98.5	Very high	95.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.1	166.4	177.3	0	0	0	0	108.1	I52 T53 T54 P55 I73 A74 L77 H337	I52-V308 HydrophobicContact CD1-CG2 3.78Å; I52-V308 HydrophobicContact CG1-CG2 4.06Å; T53-V308 WeakPolarHBondContact O-CB 3.4Å; T53-V308 PolarHBondContact O-N 2.88Å; T54-V308 CarbonylContact C-O 3.32Å; P55-V308 WeakPolarHBondContact CD-O 3.1Å; I73-V308 HydrophobicContact CB-CG1 4Å; I73-V308 HydrophobicContact CG2-CG1 3.75Å; I73-V308 HydrophobicContact CG2-CG2 3.98Å; A74-V308 HydrophobicContact CB-CB 4.24Å; A74-V308 HydrophobicContact CB-CG2 3.97Å; L77-V308 HydrophobicContact CD1-CG2 4.44Å; V308-H337 CarbonylContact C-O 3.37Å; V308-H337 WeakPolarHBondContact CA-O 3.2Å; V308-H337 HydrophobicContact CG2-CB 4.21Å
309	I	97.9	Very high	95.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	155	-178.6	63.5	160.6	0	0	0	113	P55 H307 I313 L314 H317 I336 H337 V338 H339	P55-I309 HydrophobicContact CG-CB 4.42Å; P55-I309 HydrophobicContact CG-CG2 4.24Å; H307-I309 HydrophobicContact CB-CG2 4.43Å; I309-I313 HydrophobicContact CB-CD1 3.83Å; I309-I313 HydrophobicContact CB-CG1 3.93Å; I309-I313 HydrophobicContact CD1-CG1 4.39Å; I309-I313 HydrophobicContact CG2-CD1 3.95Å; I309-I313 HydrophobicContact CG2-CG1 4.45Å; I309-L314 HydrophobicContact CD1-CB 4.48Å; I309-L314 HydrophobicContact CD1-CD1 4.19Å; I309-H317 HydrophobicContact CD1-CB 3.69Å; I309-I336 HydrophobicContact CD1-CG2 3.58Å; I309-I336 HydrophobicContact CG1-CG2 3.79Å; I309-H337 PolarHBondContact N-O 2.98Å; I309-V338 HydrophobicContact CD1-CG2 4.2Å; I309-V338 HydrophobicContact CG1-CB 4.49Å; I309-V338 HydrophobicContact CG1-CG1 4.5Å; I309-V338 HydrophobicContact CG1-CG2 4.1Å; I309-V338 WeakPolarHBondContact O-CA 3.3Å; I309-H339 PolarHBondContact O-CD2 3.38Å; I309-H339 PolarHBondContact O-N 3.27Å
310	G	95.8	Very high	96.2	Very high	4 Å²	4	25.7 Å²	25.7	4%	0.041	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	150.2	165.3	0	0	0	0	0	111.7	D312 I313	G310-D312 PolarHBondContact O-N 3.15Å; G310-D312 VanDerWaalsContact O-N 3.12Å; G310-I313 VanDerWaalsContact O-CG1 3.25Å; G310-I313 WeakPolarHBondContact O-CG1 3.43Å; G310-I313 PolarHBondContact O-N 2.75Å; G310-I313 VanDerWaalsContact O-N 3.14Å
311	K	94.4	Very high	96.5	Very high	59 Å²	59	21 Å²	21	26%	0.257	10%	0.1	S	C	.	.	G	3₁₀ helix	trans	-56.6	-26.2	178.9	66.9	176.4	-175.3	-175.9	0	114.6	F240 I313 L314 V338 H339 H341 D384	F240-K311 HydrophobicContact CE1-CB 3.59Å; F240-K311 HydrophobicContact CZ-CB 3.88Å; K311-I313 PolarHBondContact O-N 3.03Å; K311-L314 WeakPolarHBondContact O-CB 3.43Å; K311-L314 PolarHBondContact O-N 3.25Å; K311-V338 HydrophobicContact CB-CG1 4.08Å; K311-H339 PolarHBondContact N-O 3.41Å; K311-H341 WeakPolarHBondContact CE-ND1 3.42Å; K311-D384 WeakPolarHBondContact CE-OD1 3.43Å; K311-D384 IonicContact NZ-OD1 2.81Å; K311-D384 PolarHBondContact NZ-OD1 2.87Å; K311-D384 IonicContact NZ-OD2 3.64Å; K311-D384 PolarHBondContact NZ-OD2 2.86Å
312	D	89.4	Confident	96.6	Very high	80 Å²	80	20.2 Å²	20.2	43%	0.428	10%	0.097	S	C	.	.	G	3₁₀ helix	trans	-68.3	-22.3	-180	42.9	-18.5	0	0	0	113.6	G310 H341 K348	G310-D312 PolarHBondContact O-N 3.15Å; G310-D312 VanDerWaalsContact O-N 3.12Å; D312-H341 VanDerWaalsContact CG-CE1 3.4Å; D312-H341 IonicContact OD1-CE1 2.92Å; D312-H341 PolarHBondContact OD1-CE1 3.44Å; D312-H341 IonicContact OD1-NE2 3.66Å; D312-H341 PolarHBondContact OD1-NE2 3.44Å; D312-H341 IonicContact OD2-CE1 2.71Å; D312-H341 PolarHBondContact OD2-CE1 2.98Å; D312-H341 IonicContact OD2-NE2 2.73Å; D312-H341 PolarHBondContact OD2-NE2 3.43Å; D312-K348 IonicContact OD2-NZ 3.99Å; D312-K348 PolarHBondContact OD2-NZ 3.01Å
313	I	93.3	Very high	96.7	Very high	27 Å²	27	20.1 Å²	20.1	14%	0.138	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-109.5	13.7	179.7	61	169.2	0	0	0	113.1	P55 W281 I309 G310 K311 K315 F316 H317	P55-I313 HydrophobicContact CB-CD1 3.63Å; P55-I313 HydrophobicContact CG-CD1 3.53Å; W281-I313 HydrophobicContact CH2-CB 4.33Å; W281-I313 HydrophobicContact CH2-CG2 3.73Å; W281-I313 HydrophobicContact CZ3-CG2 4.32Å; I309-I313 HydrophobicContact CB-CD1 3.83Å; I309-I313 HydrophobicContact CB-CG1 3.93Å; I309-I313 HydrophobicContact CD1-CG1 4.39Å; I309-I313 HydrophobicContact CG2-CD1 3.95Å; I309-I313 HydrophobicContact CG2-CG1 4.45Å; G310-I313 VanDerWaalsContact O-CG1 3.25Å; G310-I313 WeakPolarHBondContact O-CG1 3.43Å; G310-I313 PolarHBondContact O-N 2.75Å; G310-I313 VanDerWaalsContact O-N 3.14Å; K311-I313 PolarHBondContact O-N 3.03Å; I313-K315 PolarHBondContact O-N 3.35Å; I313-F316 HydrophobicContact CB-CD2 3.96Å; I313-F316 HydrophobicContact CG2-CD2 4.24Å; I313-F316 HydrophobicContact CG2-CE2 4.48Å; I313-F316 PolarHBondContact O-N 2.89Å; I313-H317 VanDerWaalsContact CD1-CE1 3.41Å; I313-H317 WeakPolarHBondContact CD1-CE1 3.24Å; I313-H317 PolarHBondContact O-N 2.77Å; I313-H317 PolarHBondContact O-ND1 3.46Å
314	L	96.9	Very high	96.9	Very high	3 Å²	3	18 Å²	18	2%	0.016	9%	0.087	C	C	.	.	H	α-helix	trans	-57.1	-45.7	-178.1	177.9	56.8	0	0	0	112.5	V235 F240 V244 W247 I309 K311 F316 H317 A318 V338	V235-L314 HydrophobicContact CG1-CD1 3.97Å; F240-L314 HydrophobicContact CB-CD2 3.76Å; F240-L314 HydrophobicContact CD1-CD2 3.82Å; F240-L314 HydrophobicContact CG-CD2 4.17Å; V244-L314 HydrophobicContact CG2-CD1 4.04Å; V244-L314 HydrophobicContact CG2-CD2 3.96Å; V244-L314 HydrophobicContact CG2-CG 3.9Å; W247-L314 HydrophobicContact CH2-CB 4.27Å; W247-L314 HydrophobicContact CH2-CD2 3.88Å; W247-L314 HydrophobicContact CH2-CG 4.1Å; W247-L314 HydrophobicContact CZ3-CB 4.35Å; W247-L314 HydrophobicContact CZ3-CD2 3.99Å; W247-L314 HydrophobicContact CZ3-CG 3.88Å; I309-L314 HydrophobicContact CD1-CB 4.48Å; I309-L314 HydrophobicContact CD1-CD1 4.19Å; K311-L314 WeakPolarHBondContact O-CB 3.43Å; K311-L314 PolarHBondContact O-N 3.25Å; L314-F316 VanDerWaalsContact C-N 3.3Å; L314-F316 PolarHBondContact O-N 3.26Å; L314-H317 PolarHBondContact O-N 3.49Å; L314-H317 VanDerWaalsContact O-N 3.14Å; L314-A318 HydrophobicContact CD1-CB 3.8Å; L314-A318 HydrophobicContact CG-CB 4.45Å; L314-A318 WeakPolarHBondContact O-CB 3.38Å; L314-A318 PolarHBondContact O-N 2.62Å; L314-V338 HydrophobicContact CD1-CG2 3.7Å
315	K	94.4	Very high	97	Very high	85 Å²	85	16.9 Å²	16.9	37%	0.37	8%	0.08	S	C	.	.	H	α-helix	trans	-56.9	-44.2	-179.4	-175.6	176	-175.6	-178.1	0	112.1	W247 I313 H317 I319 Y320	W247-K315 HydrophobicContact CZ3-CB 4.05Å; I313-K315 PolarHBondContact O-N 3.35Å; K315-H317 VanDerWaalsContact C-N 3.31Å; K315-H317 PolarHBondContact O-N 3.34Å; K315-I319 HydrophobicContact CG-CD1 4.26Å; K315-I319 WeakPolarHBondContact O-CB 3.44Å; K315-I319 PolarHBondContact O-N 3.44Å; K315-Y320 HydrophobicContact CD-CE1 4.49Å; K315-Y320 WeakPolarHBondContact CE-OH 3.33Å; K315-Y320 HydrophobicContact CG-CE1 4.2Å; K315-Y320 PolarHBondContact NZ-OH 2.72Å; K315-Y320 PolarHBondContact O-N 2.75Å
316	F	95.6	Very high	97.1	Very high	38 Å²	38	19 Å²	19	17%	0.167	9%	0.09	C	C	.	.	I	π-helix	trans	-64.8	-37.7	-179.9	-49.9	-75.9	0	0	0	111.6	W281 I313 L314 Y320 W321	W281-F316 HydrophobicContact CB-CD1 4.44Å; W281-F316 AromaticContact CD1-CE1 3.93Å; W281-F316 HydrophobicContact CD2-CB 4.16Å; W281-F316 AromaticContact CD2-CD1 3.28Å; W281-F316 HydrophobicContact CD2-CD1 3.28Å; W281-F316 HydrophobicContact CD2-CD2 4.14Å; W281-F316 AromaticContact CD2-CE1 3.61Å; W281-F316 HydrophobicContact CD2-CE1 3.61Å; W281-F316 HydrophobicContact CD2-CE2 4.42Å; W281-F316 AromaticContact CD2-CG 3.59Å; W281-F316 HydrophobicContact CD2-CG 3.59Å; W281-F316 HydrophobicContact CD2-CZ 4.18Å; W281-F316 AromaticContact CE2-CD1 3.51Å; W281-F316 AromaticContact CE2-CD2 3.99Å; W281-F316 AromaticContact CE2-CE1 3.31Å; W281-F316 AromaticContact CE2-CE2 3.83Å; W281-F316 AromaticContact CE2-CG 3.87Å; W281-F316 AromaticContact CE2-CZ 3.49Å; W281-F316 VanDerWaalsContact CE2-CZ 3.49Å; W281-F316 HydrophobicContact CE3-CB 3.57Å; W281-F316 AromaticContact CE3-CD1 3.63Å; W281-F316 HydrophobicContact CE3-CD1 3.63Å; W281-F316 AromaticContact CE3-CD2 3.9Å; W281-F316 HydrophobicContact CE3-CD2 3.9Å; W281-F316 HydrophobicContact CE3-CE1 4.31Å; W281-F316 AromaticContact CE3-CG 3.41Å; W281-F316 HydrophobicContact CE3-CG 3.41Å; W281-F316 VanDerWaalsContact CE3-CG 3.41Å; W281-F316 AromaticContact CG-CD1 3.68Å; W281-F316 HydrophobicContact CG-CD1 3.68Å; W281-F316 AromaticContact CG-CE1 3.93Å; W281-F316 HydrophobicContact CG-CE1 3.93Å; W281-F316 HydrophobicContact CG-CG 4.4Å; W281-F316 HydrophobicContact CH2-CB 4.49Å; W281-F316 HydrophobicContact CH2-CD1 4.3Å; W281-F316 AromaticContact CH2-CD2 3.36Å; W281-F316 HydrophobicContact CH2-CD2 3.36Å; W281-F316 HydrophobicContact CH2-CE1 4.43Å; W281-F316 AromaticContact CH2-CE2 3.53Å; W281-F316 HydrophobicContact CH2-CE2 3.53Å; W281-F316 AromaticContact CH2-CG 3.81Å; W281-F316 HydrophobicContact CH2-CG 3.81Å; W281-F316 HydrophobicContact CH2-CZ 4.08Å; W281-F316 HydrophobicContact CZ2-CD1 4.02Å; W281-F316 AromaticContact CZ2-CD2 3.62Å; W281-F316 HydrophobicContact CZ2-CD2 3.62Å; W281-F316 AromaticContact CZ2-CE1 3.76Å; W281-F316 HydrophobicContact CZ2-CE1 3.76Å; W281-F316 AromaticContact CZ2-CE2 3.34Å; W281-F316 HydrophobicContact CZ2-CE2 3.34Å; W281-F316 AromaticContact CZ2-CG 3.97Å; W281-F316 HydrophobicContact CZ2-CG 3.97Å; W281-F316 AromaticContact CZ2-CZ 3.42Å; W281-F316 HydrophobicContact CZ2-CZ 3.42Å; W281-F316 VanDerWaalsContact CZ2-CZ 3.42Å; W281-F316 HydrophobicContact CZ3-CB 3.77Å; W281-F316 HydrophobicContact CZ3-CD1 4.13Å; W281-F316 AromaticContact CZ3-CD2 3.52Å; W281-F316 HydrophobicContact CZ3-CD2 3.52Å; W281-F316 HydrophobicContact CZ3-CE2 4.15Å; W281-F316 AromaticContact CZ3-CG 3.53Å; W281-F316 HydrophobicContact CZ3-CG 3.53Å; W281-F316 AromaticContact NE1-CD1 3.97Å; W281-F316 AromaticContact NE1-CE1 3.47Å; W281-F316 AromaticContact NE1-CZ 3.83Å; I313-F316 HydrophobicContact CB-CD2 3.96Å; I313-F316 HydrophobicContact CG2-CD2 4.24Å; I313-F316 HydrophobicContact CG2-CE2 4.48Å; I313-F316 PolarHBondContact O-N 2.89Å; L314-F316 VanDerWaalsContact C-N 3.3Å; L314-F316 PolarHBondContact O-N 3.26Å; F316-Y320 HydrophobicContact CB-CD2 4.43Å; F316-Y320 AromaticContact CD1-CD2 3.52Å; F316-Y320 HydrophobicContact CD1-CD2 3.52Å; F316-Y320 AromaticContact CD1-CE2 3.46Å; F316-Y320 HydrophobicContact CD1-CE2 3.46Å; F316-Y320 VanDerWaalsContact CD1-CE2 3.46Å; F316-Y320 HydrophobicContact CE1-CD2 4.26Å; F316-Y320 AromaticContact CE1-CE2 3.73Å; F316-Y320 HydrophobicContact CE1-CE2 3.73Å; F316-Y320 HydrophobicContact CG-CD2 4.39Å; F316-Y320 WeakPolarHBondContact O-CB 3.42Å; F316-Y320 PolarHBondContact O-N 3.01Å; F316-W321 WeakPolarHBondContact O-CB 3.47Å; F316-W321 PolarHBondContact O-N 2.82Å
317	H	98.5	Very high	97	Very high	3 Å²	3	17.5 Å²	17.5	1%	0.014	8%	0.084	C	C	.	.	I	π-helix	trans	-88.9	-26	-175.3	-68.2	78.7	0	0	0	114.4	Y288 I309 I313 L314 K315 P322 I336	Y288-H317 AromaticContact CE2-CD2 3.78Å; Y288-H317 AromaticContact CE2-NE2 3.61Å; Y288-H317 AromaticContact CZ-NE2 3.54Å; Y288-H317 PolarHBondContact OH-NE2 3.16Å; I309-H317 HydrophobicContact CD1-CB 3.69Å; I313-H317 VanDerWaalsContact CD1-CE1 3.41Å; I313-H317 WeakPolarHBondContact CD1-CE1 3.24Å; I313-H317 PolarHBondContact O-N 2.77Å; I313-H317 PolarHBondContact O-ND1 3.46Å; L314-H317 PolarHBondContact O-N 3.49Å; L314-H317 VanDerWaalsContact O-N 3.14Å; K315-H317 VanDerWaalsContact C-N 3.31Å; K315-H317 PolarHBondContact O-N 3.34Å; H317-P322 WeakPolarHBondContact O-CD 3.5Å; H317-I336 HydrophobicContact CB-CD1 4.48Å; H317-I336 HydrophobicContact CB-CG2 4.39Å; H317-I336 WeakPolarHBondContact O-CD1 3.41Å
318	A	98.3	Very high	97	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.089	C	C	.	.	I	π-helix	trans	-105	-11.5	-177	0	0	0	0	0	113.7	V235 V244 L314 I336	V235-A318 HydrophobicContact CG2-CB 4.09Å; V244-A318 HydrophobicContact CB-CB 4.47Å; V244-A318 HydrophobicContact CG1-CB 4.01Å; V244-A318 HydrophobicContact CG2-CB 3.61Å; L314-A318 HydrophobicContact CD1-CB 3.8Å; L314-A318 HydrophobicContact CG-CB 4.45Å; L314-A318 WeakPolarHBondContact O-CB 3.38Å; L314-A318 PolarHBondContact O-N 2.62Å; A318-I336 HydrophobicContact CB-CD1 4.19Å
319	I	97.9	Very high	97	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	11%	0.112	C	C	.	.	I	π-helix	trans	-120.3	-61.5	175.3	-56.7	-174	0	0	0	110.6	L217 L224 V244 W247 L248 L252 K315 A323	L217-I319 HydrophobicContact CD1-CG2 4.37Å; L224-I319 HydrophobicContact CD1-CG2 3.87Å; V244-I319 HydrophobicContact CG1-CD1 4.47Å; V244-I319 HydrophobicContact CG1-CG1 4.03Å; W247-I319 HydrophobicContact CB-CD1 4.14Å; W247-I319 HydrophobicContact CE3-CD1 4.06Å; L248-I319 HydrophobicContact CD2-CD1 4.33Å; L252-I319 HydrophobicContact CD1-CG2 3.91Å; L252-I319 HydrophobicContact CD2-CG2 4.23Å; K315-I319 HydrophobicContact CG-CD1 4.26Å; K315-I319 WeakPolarHBondContact O-CB 3.44Å; K315-I319 PolarHBondContact O-N 3.44Å; I319-A323 VanDerWaalsContact O-CB 3.31Å; I319-A323 WeakPolarHBondContact O-CB 3.08Å; I319-A323 PolarHBondContact O-N 3.33Å; I319-A323 VanDerWaalsContact O-N 3.12Å
320	Y	98	Very high	97	Very high	22 Å²	22	21.5 Å²	21.5	9%	0.086	12%	0.118	C	C	.	.	I	π-helix	trans	-69.4	-47.8	-171.1	-57.4	-8.6	0	0	0	111.3	L217 L255 K315 F316 A323 F324	L217-Y320 HydrophobicContact CD1-CD1 4.43Å; L217-Y320 HydrophobicContact CD2-CD1 3.69Å; L217-Y320 HydrophobicContact CD2-CE1 3.62Å; L255-Y320 HydrophobicContact CD1-CE2 4.04Å; L255-Y320 HydrophobicContact CD2-CD1 4.29Å; L255-Y320 HydrophobicContact CD2-CD2 3.76Å; L255-Y320 HydrophobicContact CD2-CE2 4.01Å; L255-Y320 HydrophobicContact CD2-CG 3.93Å; K315-Y320 HydrophobicContact CD-CE1 4.49Å; K315-Y320 WeakPolarHBondContact CE-OH 3.33Å; K315-Y320 HydrophobicContact CG-CE1 4.2Å; K315-Y320 PolarHBondContact NZ-OH 2.72Å; K315-Y320 PolarHBondContact O-N 2.75Å; F316-Y320 HydrophobicContact CB-CD2 4.43Å; F316-Y320 AromaticContact CD1-CD2 3.52Å; F316-Y320 HydrophobicContact CD1-CD2 3.52Å; F316-Y320 AromaticContact CD1-CE2 3.46Å; F316-Y320 HydrophobicContact CD1-CE2 3.46Å; F316-Y320 VanDerWaalsContact CD1-CE2 3.46Å; F316-Y320 HydrophobicContact CE1-CD2 4.26Å; F316-Y320 AromaticContact CE1-CE2 3.73Å; F316-Y320 HydrophobicContact CE1-CE2 3.73Å; F316-Y320 HydrophobicContact CG-CD2 4.39Å; F316-Y320 WeakPolarHBondContact O-CB 3.42Å; F316-Y320 PolarHBondContact O-N 3.01Å; Y320-A323 PolarHBondContact O-N 2.93Å; Y320-F324 WeakPolarHBondContact O-CD2 2.81Å; Y320-F324 WeakPolarHBondContact O-CG 3.49Å; Y320-F324 PolarHBondContact O-N 3.12Å
321	W	98.6	Very high	97	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.1	-50.2	-178.2	179.9	-135.5	0	0	0	112.9	F152 L285 Y288 L289 W302 H307 F316 A323 F324 L325	F152-W321 HydrophobicContact CE2-CZ3 4.36Å; F152-W321 HydrophobicContact CZ-CZ3 4.04Å; L285-W321 HydrophobicContact CB-CD2 4.11Å; L285-W321 HydrophobicContact CB-CE3 3.69Å; L285-W321 HydrophobicContact CB-CZ3 4.08Å; L285-W321 HydrophobicContact CD1-CB 3.79Å; L285-W321 HydrophobicContact CD1-CE3 4.42Å; L285-W321 HydrophobicContact CD2-CB 3.88Å; L285-W321 HydrophobicContact CD2-CD2 4.48Å; L285-W321 HydrophobicContact CD2-CG 4.12Å; L285-W321 HydrophobicContact CG-CB 4.32Å; L285-W321 WeakPolarHBondContact O-CH2 3.38Å; Y288-W321 HydrophobicContact CD2-CZ2 4.19Å; Y288-W321 AromaticContact CD2-NE1 3.89Å; L289-W321 HydrophobicContact CD1-CH2 3.57Å; L289-W321 HydrophobicContact CD1-CZ2 4.28Å; L289-W321 HydrophobicContact CG-CH2 3.87Å; L289-W321 HydrophobicContact CG-CZ2 4.13Å; W302-W321 AromaticContact CH2-CE2 3.84Å; W302-W321 AromaticContact CH2-CZ2 3.41Å; W302-W321 HydrophobicContact CH2-CZ2 3.41Å; W302-W321 VanDerWaalsContact CH2-CZ2 3.41Å; W302-W321 AromaticContact CH2-NE1 3.72Å; W302-W321 AromaticContact CZ2-CZ2 3.85Å; W302-W321 HydrophobicContact CZ2-CZ2 3.85Å; W302-W321 HydrophobicContact CZ3-CZ2 4.26Å; H307-W321 AromaticContact NE2-CD1 3.94Å; H307-W321 AromaticContact NE2-NE1 3.34Å; H307-W321 PolarHBondContact NE2-NE1 2.75Å; F316-W321 WeakPolarHBondContact O-CB 3.47Å; F316-W321 PolarHBondContact O-N 2.82Å; W321-A323 VanDerWaalsContact C-N 3.3Å; W321-A323 PolarHBondContact O-N 2.85Å; W321-F324 HydrophobicContact CE3-CB 4.14Å; W321-F324 HydrophobicContact CE3-CD2 4.36Å; W321-F324 HydrophobicContact CZ3-CB 4.46Å; W321-F324 PolarHBondContact O-N 2.67Å; W321-L325 HydrophobicContact CD2-CD1 3.85Å; W321-L325 HydrophobicContact CD2-CD2 4.4Å; W321-L325 HydrophobicContact CD2-CG 3.85Å; W321-L325 HydrophobicContact CE3-CD1 4.47Å; W321-L325 HydrophobicContact CE3-CD2 4.36Å; W321-L325 HydrophobicContact CE3-CG 3.96Å; W321-L325 HydrophobicContact CG-CD1 4.15Å; W321-L325 HydrophobicContact CH2-CD2 3.55Å; W321-L325 HydrophobicContact CH2-CG 4.05Å; W321-L325 HydrophobicContact CZ2-CD1 4.02Å; W321-L325 HydrophobicContact CZ2-CD2 3.56Å; W321-L325 HydrophobicContact CZ2-CG 3.92Å; W321-L325 HydrophobicContact CZ3-CD2 3.96Å; W321-L325 HydrophobicContact CZ3-CG 4.06Å; W321-L325 VanDerWaalsContact O-CG 3.31Å; W321-L325 WeakPolarHBondContact O-CG 3.41Å; W321-L325 PolarHBondContact O-N 2.81Å
322	P	98.7	Very high	97.2	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.8	-37.7	174.1	-28.3	37.9	0	0	0	113.2	L224 W227 H317 L325 L326 L332	L224-P322 HydrophobicContact CD2-CB 3.53Å; W227-P322 HydrophobicContact CE3-CB 4.41Å; W227-P322 HydrophobicContact CH2-CB 4.45Å; W227-P322 HydrophobicContact CH2-CG 3.83Å; W227-P322 HydrophobicContact CZ3-CB 4.1Å; W227-P322 HydrophobicContact CZ3-CG 3.74Å; H317-P322 WeakPolarHBondContact O-CD 3.5Å; P322-L325 PolarHBondContact O-N 3.45Å; P322-L326 WeakPolarHBondContact O-CB 3.21Å; P322-L326 WeakPolarHBondContact O-CG 3.47Å; P322-L326 PolarHBondContact O-N 2.82Å; P322-L332 HydrophobicContact CB-CD1 4.46Å; P322-L332 HydrophobicContact CB-CD2 3.66Å
323	A	98.7	Very high	97.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.1	-42.9	175.9	0	0	0	0	0	112.2	F215 L217 F220 L224 I319 Y320 W321 L326 G327	F215-A323 HydrophobicContact CE1-CB 3.99Å; F215-A323 HydrophobicContact CZ-CB 4.41Å; L217-A323 HydrophobicContact CD1-CB 3.43Å; L217-A323 VanDerWaalsContact CD1-CB 3.43Å; F220-A323 HydrophobicContact CB-CB 3.87Å; F220-A323 HydrophobicContact CD1-CB 4.39Å; F220-A323 HydrophobicContact CD2-CB 4.24Å; F220-A323 HydrophobicContact CG-CB 3.9Å; L224-A323 HydrophobicContact CD1-CB 4.42Å; I319-A323 VanDerWaalsContact O-CB 3.31Å; I319-A323 WeakPolarHBondContact O-CB 3.08Å; I319-A323 PolarHBondContact O-N 3.33Å; I319-A323 VanDerWaalsContact O-N 3.12Å; Y320-A323 PolarHBondContact O-N 2.93Å; W321-A323 VanDerWaalsContact C-N 3.3Å; W321-A323 PolarHBondContact O-N 2.85Å; A323-L326 PolarHBondContact O-N 3.3Å; A323-G327 PolarHBondContact O-N 3.12Å
324	F	98.8	Very high	97.7	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61	-44.5	174.2	-66.5	-29.4	0	0	0	111.8	F152 L156 F215 L255 V257 L282 L285 Y320 W321 G327 A328	F152-F324 HydrophobicContact CE1-CB 3.92Å; F152-F324 HydrophobicContact CZ-CB 3.9Å; L156-F324 HydrophobicContact CD1-CD1 4.38Å; F215-F324 HydrophobicContact CB-CE1 4.27Å; F215-F324 AromaticContact CD1-CD1 3.84Å; F215-F324 HydrophobicContact CD1-CD1 3.84Å; F215-F324 AromaticContact CD1-CE1 3.5Å; F215-F324 HydrophobicContact CD1-CE1 3.5Å; F215-F324 HydrophobicContact CD2-CD1 4.25Å; F215-F324 HydrophobicContact CD2-CE1 4.26Å; F215-F324 AromaticContact CE1-CD1 3.65Å; F215-F324 HydrophobicContact CE1-CD1 3.65Å; F215-F324 AromaticContact CE1-CE1 3.81Å; F215-F324 HydrophobicContact CE1-CE1 3.81Å; F215-F324 HydrophobicContact CE2-CD1 4.08Å; F215-F324 HydrophobicContact CG-CD1 4.14Å; F215-F324 AromaticContact CG-CE1 3.75Å; F215-F324 HydrophobicContact CG-CE1 3.75Å; F215-F324 AromaticContact CZ-CD1 3.78Å; F215-F324 HydrophobicContact CZ-CD1 3.78Å; F215-F324 HydrophobicContact CZ-CE1 4.31Å; L255-F324 HydrophobicContact CD2-CE1 4.2Å; L255-F324 HydrophobicContact CD2-CZ 3.67Å; V257-F324 HydrophobicContact CG1-CE1 4.13Å; V257-F324 HydrophobicContact CG1-CZ 4.07Å; L282-F324 HydrophobicContact CB-CE2 4.39Å; L282-F324 HydrophobicContact CB-CZ 4.46Å; L282-F324 HydrophobicContact CD1-CD1 4.12Å; L282-F324 HydrophobicContact CD1-CD2 3.78Å; L282-F324 HydrophobicContact CD1-CE1 4.11Å; L282-F324 HydrophobicContact CD1-CE2 3.77Å; L282-F324 HydrophobicContact CD1-CG 3.97Å; L282-F324 HydrophobicContact CD1-CZ 3.94Å; L285-F324 HydrophobicContact CD1-CD2 4.01Å; L285-F324 HydrophobicContact CD1-CE2 3.95Å; Y320-F324 WeakPolarHBondContact O-CD2 2.81Å; Y320-F324 WeakPolarHBondContact O-CG 3.49Å; Y320-F324 PolarHBondContact O-N 3.12Å; W321-F324 HydrophobicContact CE3-CB 4.14Å; W321-F324 HydrophobicContact CE3-CD2 4.36Å; W321-F324 HydrophobicContact CZ3-CB 4.46Å; W321-F324 PolarHBondContact O-N 2.67Å; F324-G327 PolarHBondContact O-N 3.39Å; F324-A328 WeakPolarHBondContact O-CB 3.35Å; F324-A328 PolarHBondContact O-N 3.29Å
325	L	98.8	Very high	97.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.7	-47.1	177.1	-71.2	169.6	0	0	0	112.1	L289 W302 W321 P322 G327 A328 G329 L330 L332	L289-L325 HydrophobicContact CD1-CD2 4.3Å; W302-L325 HydrophobicContact CH2-CD1 4.33Å; W302-L325 HydrophobicContact CH2-CD2 4.34Å; W302-L325 HydrophobicContact CZ2-CD1 3.64Å; W302-L325 HydrophobicContact CZ2-CD2 3.48Å; W302-L325 VanDerWaalsContact CZ2-CD2 3.48Å; W302-L325 HydrophobicContact CZ2-CG 4.2Å; W321-L325 HydrophobicContact CD2-CD1 3.85Å; W321-L325 HydrophobicContact CD2-CD2 4.4Å; W321-L325 HydrophobicContact CD2-CG 3.85Å; W321-L325 HydrophobicContact CE3-CD1 4.47Å; W321-L325 HydrophobicContact CE3-CD2 4.36Å; W321-L325 HydrophobicContact CE3-CG 3.96Å; W321-L325 HydrophobicContact CG-CD1 4.15Å; W321-L325 HydrophobicContact CH2-CD2 3.55Å; W321-L325 HydrophobicContact CH2-CG 4.05Å; W321-L325 HydrophobicContact CZ2-CD1 4.02Å; W321-L325 HydrophobicContact CZ2-CD2 3.56Å; W321-L325 HydrophobicContact CZ2-CG 3.92Å; W321-L325 HydrophobicContact CZ3-CD2 3.96Å; W321-L325 HydrophobicContact CZ3-CG 4.06Å; W321-L325 VanDerWaalsContact O-CG 3.31Å; W321-L325 WeakPolarHBondContact O-CG 3.41Å; W321-L325 PolarHBondContact O-N 2.81Å; P322-L325 PolarHBondContact O-N 3.45Å; L325-G327 VanDerWaalsContact C-N 3.3Å; L325-G327 PolarHBondContact O-N 3.43Å; L325-A328 CarbonylContact O-C 3.49Å; L325-A328 PolarHBondContact O-N 2.78Å; L325-G329 PolarHBondContact O-N 3.36Å; L325-L330 HydrophobicContact CB-CB 4.41Å; L325-L330 HydrophobicContact CD2-CB 3.8Å; L325-L330 HydrophobicContact CD2-CD1 3.91Å; L325-L330 PolarHBondContact O-N 3.48Å; L325-L332 HydrophobicContact CB-CD2 3.8Å; L325-L332 HydrophobicContact CD1-CD2 3.9Å
326	L	98.7	Very high	97.9	Very high	44 Å²	44	19.9 Å²	19.9	23%	0.23	12%	0.116	C	C	.	.	H	α-helix	trans	-59.6	-43.2	175.2	-71.8	169.9	0	0	0	111	F220 L223 L224 P322 A323 G329 L332	F220-L326 HydrophobicContact CD1-CB 3.8Å; F220-L326 HydrophobicContact CD1-CD1 4.22Å; F220-L326 HydrophobicContact CE1-CB 3.75Å; L223-L326 HydrophobicContact CB-CD1 3.87Å; L223-L326 HydrophobicContact CD1-CD1 4.46Å; L224-L326 HydrophobicContact CD2-CD1 4.19Å; P322-L326 WeakPolarHBondContact O-CB 3.21Å; P322-L326 WeakPolarHBondContact O-CG 3.47Å; P322-L326 PolarHBondContact O-N 2.82Å; A323-L326 PolarHBondContact O-N 3.3Å; L326-G329 PolarHBondContact O-N 3.39Å; L326-G329 VanDerWaalsContact O-N 3.13Å; L326-L332 HydrophobicContact CD2-CD1 4.3Å; L326-L332 HydrophobicContact CD2-CD2 4.45Å; L326-L332 HydrophobicContact CD2-CG 4.41Å; L326-L332 HydrophobicContact CG-CD1 4.44Å; L326-L332 HydrophobicContact CG-CD2 4.11Å
327	G	98.3	Very high	98	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-60.3	-44.3	174.6	0	0	0	0	0	112.4	K159 A323 F324 L325 G329	K159-G327 WeakPolarHBondContact CD-O 3.44Å; K159-G327 PolarHBondContact NZ-O 3.03Å; A323-G327 PolarHBondContact O-N 3.12Å; F324-G327 PolarHBondContact O-N 3.39Å; L325-G327 VanDerWaalsContact C-N 3.3Å; L325-G327 PolarHBondContact O-N 3.43Å; G327-G329 PolarHBondContact O-N 3.21Å
328	A	98.2	Very high	97.9	Very high	13 Å²	13	18.4 Å²	18.4	11%	0.107	11%	0.11	C	C	.	.	H	α-helix	trans	-69.3	-20.8	176.2	0	0	0	0	0	112.8	F152 V155 L156 K159 F324 L325 L330	F152-A328 HydrophobicContact CD2-CB 4.31Å; F152-A328 HydrophobicContact CE2-CB 3.6Å; F152-A328 HydrophobicContact CZ-CB 3.74Å; V155-A328 HydrophobicContact CG1-CB 4.28Å; L156-A328 HydrophobicContact CD2-CB 4.36Å; K159-A328 PolarHBondContact NZ-O 3.16Å; F324-A328 WeakPolarHBondContact O-CB 3.35Å; F324-A328 PolarHBondContact O-N 3.29Å; L325-A328 CarbonylContact O-C 3.49Å; L325-A328 PolarHBondContact O-N 2.78Å; A328-L330 HydrophobicContact CB-CD1 3.97Å; A328-L330 HydrophobicContact CB-CG 4.12Å
329	G	97.4	Very high	97.9	Very high	46 Å²	46	18.7 Å²	18.7	47%	0.474	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	27.6	-175.6	0	0	0	0	0	112.9	L325 L326 G327	L325-G329 PolarHBondContact O-N 3.36Å; L326-G329 PolarHBondContact O-N 3.39Å; L326-G329 VanDerWaalsContact O-N 3.13Å; G327-G329 PolarHBondContact O-N 3.21Å
330	L	97.9	Very high	97.7	Very high	24 Å²	24	18.7 Å²	18.7	13%	0.126	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-100.5	151.3	179.6	-67.4	170.9	0	0	0	110.8	F152 L289 Y294 H298 L325 A328	F152-L330 HydrophobicContact CE2-CD1 3.91Å; L289-L330 HydrophobicContact CD1-CD1 3.55Å; L289-L330 HydrophobicContact CD2-CD1 4.2Å; Y294-L330 HydrophobicContact CD2-CD1 4.44Å; Y294-L330 HydrophobicContact CE2-CD1 3.86Å; Y294-L330 HydrophobicContact CE2-CD2 4.3Å; H298-L330 WeakPolarHBondContact NE2-CD2 3.4Å; L325-L330 HydrophobicContact CB-CB 4.41Å; L325-L330 HydrophobicContact CD2-CB 3.8Å; L325-L330 HydrophobicContact CD2-CD1 3.91Å; L325-L330 PolarHBondContact O-N 3.48Å; A328-L330 HydrophobicContact CB-CD1 3.97Å; A328-L330 HydrophobicContact CB-CG 4.12Å
331	P	97.2	Very high	97.4	Very high	67 Å²	67	19 Å²	19	44%	0.435	11%	0.114	S	C	.	.	P	Polyproline II helix	trans	-66.8	153.1	174.8	29.1	-33.5	0	0	0	110.7	W302	W302-P331 VanDerWaalsContact CD1-CG 3.44Å; W302-P331 PolarHBondContact NE1-O 2.82Å
332	L	98	Very high	97.1	Very high	28 Å²	28	19.4 Å²	19.4	15%	0.147	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-79.6	154.1	177	-62.7	-178	0	0	0	111	W227 P322 L325 L326	W227-L332 HydrophobicContact CB-CD1 4.05Å; W227-L332 HydrophobicContact CD2-CD1 3.6Å; W227-L332 HydrophobicContact CE3-CD1 4.34Å; W227-L332 HydrophobicContact CG-CD1 3.41Å; W227-L332 VanDerWaalsContact CG-CD1 3.41Å; W227-L332 HydrophobicContact CZ2-CB 4.49Å; W227-L332 HydrophobicContact CZ2-CD1 4.45Å; P322-L332 HydrophobicContact CB-CD1 4.46Å; P322-L332 HydrophobicContact CB-CD2 3.66Å; L325-L332 HydrophobicContact CB-CD2 3.8Å; L325-L332 HydrophobicContact CD1-CD2 3.9Å; L326-L332 HydrophobicContact CD2-CD1 4.3Å; L326-L332 HydrophobicContact CD2-CD2 4.45Å; L326-L332 HydrophobicContact CD2-CG 4.41Å; L326-L332 HydrophobicContact CG-CD1 4.44Å; L326-L332 HydrophobicContact CG-CD2 4.11Å
333	P	96.4	Very high	96.7	Very high	4 Å²	4	19.9 Å²	19.9	3%	0.026	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-61	151.4	174.8	27.1	-35.6	0	0	0	111.2	I336	P333-I336 HydrophobicContact CG-CD1 4.45Å; P333-I336 HydrophobicContact CG-CG1 4.22Å
334	Q	95.8	Very high	96.1	Very high	104 Å²	104	21.9 Å²	21.9	49%	0.486	13%	0.13	S	C	.	.	S	Bend	trans	-65.1	-50.1	179.8	-68.7	-63.1	-39.5	0	0	111.2	H303 A305	H303-Q334 WeakPolarHBondContact O-CG 3.41Å; H303-Q334 PolarHBondContact O-NE2 3.28Å; A305-Q334 WeakPolarHBondContact O-CB 3.36Å; A305-Q334 PolarHBondContact O-N 2.92Å
335	V	97.1	Very high	95.3	Very high	21 Å²	21	24.9 Å²	24.9	13%	0.127	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	138.2	-179.6	-175.6	0	0	0	0	110.9	S233 Q236 H306 H307 H337	S233-V335 WeakPolarHBondContact O-CG1 3.42Å; Q236-V335 HydrophobicContact CB-CG1 4.22Å; Q236-V335 HydrophobicContact CG-CG1 4.03Å; H306-V335 WeakPolarHBondContact CA-O 3.3Å; H307-V335 PolarHBondContact N-O 3.23Å; V335-H337 VanDerWaalsContact CG1-CE1 3.47Å; V335-H337 WeakPolarHBondContact CG1-CE1 3.4Å
336	I	98.4	Very high	94.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	104.9	165.8	-56.3	168.4	0	0	0	107.7	W227 A234 V235 Q236 H307 I309 H317 A318 P333 V338	W227-I336 HydrophobicContact CH2-CD1 4.05Å; A234-I336 PolarHBondContact O-N 3.32Å; V235-I336 WeakPolarHBondContact CA-O 3.23Å; V235-I336 HydrophobicContact CG2-CB 4.42Å; V235-I336 HydrophobicContact CG2-CD1 4.33Å; Q236-I336 PolarHBondContact N-O 2.86Å; H307-I336 CarbonylContact O-C 3.02Å; I309-I336 HydrophobicContact CD1-CG2 3.58Å; I309-I336 HydrophobicContact CG1-CG2 3.79Å; H317-I336 HydrophobicContact CB-CD1 4.48Å; H317-I336 HydrophobicContact CB-CG2 4.39Å; H317-I336 WeakPolarHBondContact O-CD1 3.41Å; A318-I336 HydrophobicContact CB-CD1 4.19Å; P333-I336 HydrophobicContact CG-CD1 4.45Å; P333-I336 HydrophobicContact CG-CG1 4.22Å; I336-V338 HydrophobicContact CG2-CG2 4.07Å
337	H	97.8	Very high	93.8	Very high	11 Å²	11	31.8 Å²	31.8	5%	0.051	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	114.6	175.3	-64.2	-68.6	0	0	0	110.4	H306 H307 V308 I309 V335 M463	H306-H337 AromaticContact CD2-NE2 3.52Å; H307-H337 WeakPolarHBondContact O-CA 3.47Å; H307-H337 WeakPolarHBondContact O-CB 3.46Å; H307-H337 PolarHBondContact O-N 3.28Å; V308-H337 CarbonylContact C-O 3.37Å; V308-H337 WeakPolarHBondContact CA-O 3.2Å; V308-H337 HydrophobicContact CG2-CB 4.21Å; I309-H337 PolarHBondContact N-O 2.98Å; V335-H337 VanDerWaalsContact CG1-CE1 3.47Å; V335-H337 WeakPolarHBondContact CG1-CE1 3.4Å; H337-M463 HydrophobicContact CB-CE 4Å; H337-M463 HydrophobicContact CB-SD 3.6Å; H337-M463 VanDerWaalsContact CB-SD 3.6Å
338	V	97.7	Very high	92.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.2	-173.9	-169.1	0	0	0	0	109.8	V235 Q236 P237 F240 I309 K311 L314 I336 M463	V235-V338 HydrophobicContact CG1-CG2 3.77Å; Q236-V338 PolarHBondContact O-N 3.41Å; P237-V338 WeakPolarHBondContact CD-O 3.29Å; F240-V338 HydrophobicContact CB-CB 4.29Å; F240-V338 HydrophobicContact CB-CG1 4.41Å; F240-V338 HydrophobicContact CB-CG2 4.18Å; F240-V338 HydrophobicContact CD1-CG1 3.93Å; F240-V338 HydrophobicContact CD2-CB 3.54Å; F240-V338 HydrophobicContact CD2-CG1 3.66Å; F240-V338 HydrophobicContact CD2-CG2 4.33Å; F240-V338 HydrophobicContact CE1-CG1 3.94Å; F240-V338 HydrophobicContact CE2-CB 3.83Å; F240-V338 HydrophobicContact CE2-CG1 3.65Å; F240-V338 HydrophobicContact CG-CB 3.93Å; F240-V338 HydrophobicContact CG-CG1 3.75Å; F240-V338 HydrophobicContact CG-CG2 4.35Å; F240-V338 HydrophobicContact CZ-CB 4.45Å; F240-V338 HydrophobicContact CZ-CG1 3.77Å; I309-V338 HydrophobicContact CD1-CG2 4.2Å; I309-V338 HydrophobicContact CG1-CB 4.49Å; I309-V338 HydrophobicContact CG1-CG1 4.5Å; I309-V338 HydrophobicContact CG1-CG2 4.1Å; I309-V338 WeakPolarHBondContact O-CA 3.3Å; K311-V338 HydrophobicContact CB-CG1 4.08Å; L314-V338 HydrophobicContact CD1-CG2 3.7Å; I336-V338 HydrophobicContact CG2-CG2 4.07Å; V338-M463 WeakPolarHBondContact O-CE 3.25Å
339	H	96.8	Very high	92	Very high	5 Å²	5	36.9 Å²	36.9	2%	0.023	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	152.1	174.2	70.9	78.3	0	0	0	112.4	Y69 S70 I73 I309 K311 P381	Y69-H339 AromaticContact CD1-CE1 3.75Å; Y69-H339 AromaticContact CD1-ND1 3.53Å; Y69-H339 HydrophobicContact CE1-CB 4.03Å; Y69-H339 AromaticContact CE1-CG 3.81Å; Y69-H339 AromaticContact CE1-ND1 3.47Å; Y69-H339 WeakPolarHBondContact CE1-ND1 3.43Å; S70-H339 PolarHBondContact OG-CE1 2.92Å; S70-H339 VanDerWaalsContact OG-CE1 3.26Å; S70-H339 PolarHBondContact OG-NE2 3.28Å; I73-H339 HydrophobicContact CD1-CB 3.81Å; I309-H339 PolarHBondContact O-CD2 3.38Å; I309-H339 PolarHBondContact O-N 3.27Å; K311-H339 PolarHBondContact N-O 3.41Å; H339-P381 CarbonylContact C-O 3.55Å; H339-P381 WeakPolarHBondContact CA-O 3.41Å
340	S	94.6	Very high	90.7	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.014	22%	0.215	C	C	.	.			trans	-80.6	174.3	173.5	-64.9	0	0	0	0	110.9	R239 P381 D382 T383 D384	R239-S340 PolarHBondContact NH2-OG 2.9Å; S340-P381 VanDerWaalsContact CB-O 3.31Å; S340-P381 WeakPolarHBondContact CB-O 3.39Å; S340-P381 PolarHBondContact N-O 3.46Å; S340-P381 PolarHBondContact OG-O 2.87Å; S340-D382 VanDerWaalsContact OG-C 3.26Å; S340-T383 VanDerWaalsContact CB-O 3.27Å; S340-T383 WeakPolarHBondContact CB-O 3.33Å; S340-T383 PolarHBondContact OG-N 3.43Å; S340-D384 VanDerWaalsContact CB-OD1 3.3Å; S340-D384 WeakPolarHBondContact CB-OD1 3.26Å
341	H	90.9	Very high	89.2	Confident	29 Å²	29	40.7 Å²	40.7	13%	0.134	23%	0.233	C	C	.	.			trans	-94.3	152.8	-171.2	-64.9	152.1	0	0	0	112.3	K311 D312 D384 C385	K311-H341 WeakPolarHBondContact CE-ND1 3.42Å; D312-H341 VanDerWaalsContact CG-CE1 3.4Å; D312-H341 IonicContact OD1-CE1 2.92Å; D312-H341 PolarHBondContact OD1-CE1 3.44Å; D312-H341 IonicContact OD1-NE2 3.66Å; D312-H341 PolarHBondContact OD1-NE2 3.44Å; D312-H341 IonicContact OD2-CE1 2.71Å; D312-H341 PolarHBondContact OD2-CE1 2.98Å; D312-H341 IonicContact OD2-NE2 2.73Å; D312-H341 PolarHBondContact OD2-NE2 3.43Å; H341-D384 PolarHBondContact N-OD1 3.19Å; H341-D384 VanDerWaalsContact O-CA 3.27Å; H341-D384 WeakPolarHBondContact O-CA 3.34Å; H341-C385 PolarHBondContact O-N 3.36Å
342	W	92.4	Very high	87.6	Confident	8 Å²	8	42.9 Å²	42.9	3%	0.03	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	133.9	160.8	-76.4	97.6	0	0	0	109.9	Y69 M349 F374 L375 Q378 C385	Y69-W342 AromaticContact CD1-CD1 3.46Å; Y69-W342 VanDerWaalsContact CD1-CD1 3.46Å; Y69-W342 AromaticContact CD1-NE1 3.47Å; Y69-W342 AromaticContact CD2-NE1 3.35Å; Y69-W342 VanDerWaalsContact CD2-NE1 3.35Å; Y69-W342 AromaticContact CE1-CD1 3.96Å; Y69-W342 AromaticContact CE1-NE1 3.65Å; Y69-W342 AromaticContact CE2-NE1 3.55Å; Y69-W342 AromaticContact CG-CD1 3.5Å; Y69-W342 VanDerWaalsContact CG-CD1 3.5Å; Y69-W342 AromaticContact CG-NE1 3.3Å; Y69-W342 VanDerWaalsContact CG-NE1 3.3Å; Y69-W342 AromaticContact CZ-NE1 3.69Å; W342-M349 HydrophobicContact CB-CE 3.46Å; W342-M349 VanDerWaalsContact CB-CE 3.46Å; W342-M349 VanDerWaalsContact O-CE 3.3Å; W342-M349 WeakPolarHBondContact O-CE 3.34Å; W342-F374 HydrophobicContact CH2-CD1 4.39Å; W342-F374 AromaticContact CH2-CE1 3.74Å; W342-F374 HydrophobicContact CH2-CE1 3.74Å; W342-F374 HydrophobicContact CH2-CZ 4.29Å; W342-F374 AromaticContact CZ3-CE1 3.84Å; W342-F374 HydrophobicContact CZ3-CE1 3.84Å; W342-F374 HydrophobicContact CZ3-CZ 4.3Å; W342-L375 HydrophobicContact CD2-CD2 4.01Å; W342-L375 VanDerWaalsContact CE2-CD2 3.49Å; W342-L375 HydrophobicContact CG-CD2 4.42Å; W342-L375 HydrophobicContact CH2-CD2 4.38Å; W342-L375 HydrophobicContact CZ2-CB 4.39Å; W342-L375 HydrophobicContact CZ2-CD2 3.72Å; W342-L375 WeakPolarHBondContact CZ2-O 3.2Å; W342-Q378 HydrophobicContact CH2-CB 3.75Å; W342-C385 CarbonylContact C-O 3.56Å; W342-C385 VanDerWaalsContact CA-O 3.31Å; W342-C385 WeakPolarHBondContact CA-O 3.49Å; W342-C385 HydrophobicContact CD2-CB 4.23Å; W342-C385 HydrophobicContact CE3-CB 3.79Å; W342-C385 VanDerWaalsContact CE3-O 3.22Å; W342-C385 HydrophobicContact CH2-CB 3.87Å; W342-C385 HydrophobicContact CZ2-CB 4.29Å; W342-C385 HydrophobicContact CZ3-CB 3.6Å
343	T	90	Very high	86	Confident	10 Å²	10	46.3 Å²	46.3	6%	0.061	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	163.5	176.5	63.4	0	0	0	0	111	K347 D384 C385 D386 Y387	T343-K347 CarbonylContact C-O 3.58Å; T343-K347 VanDerWaalsContact CA-O 3.24Å; T343-K347 WeakPolarHBondContact CA-O 3.49Å; T343-K347 VanDerWaalsContact CB-O 3.22Å; T343-K347 WeakPolarHBondContact CB-O 3.47Å; T343-D384 HydrophobicContact CG2-CB 4.16Å; T343-C385 PolarHBondContact N-O 3.27Å; T343-C385 PolarHBondContact OG1-O 3.2Å; T343-D386 WeakPolarHBondContact OG1-CA 3.05Å; T343-D386 PolarHBondContact OG1-OD1 2.89Å; T343-Y387 WeakPolarHBondContact O-CB 3.24Å; T343-Y387 PolarHBondContact O-N 3.01Å
344	V	86	Confident	84.9	Confident	42 Å²	42	49.4 Å²	49.4	26%	0.255	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	118.6	167.4	176.5	0	0	0	0	107.9	G346 K347 M349 N355 V357 D386 Y387	V344-G346 VanDerWaalsContact C-N 3.26Å; V344-G346 PolarHBondContact O-N 3.44Å; V344-K347 PolarHBondContact N-O 2.61Å; V344-K347 PolarHBondContact O-N 2.66Å; V344-M349 HydrophobicContact CG2-CG 3.86Å; V344-M349 HydrophobicContact CG2-SD 4.23Å; V344-N355 HydrophobicContact CB-CB 4.33Å; V344-N355 HydrophobicContact CG1-CB 4.41Å; V344-V357 HydrophobicContact CG2-CG2 3.7Å; V344-D386 VanDerWaalsContact C-OD1 3.32Å; V344-D386 WeakPolarHBondContact CA-OD1 3.43Å; V344-D386 PolarHBondContact N-OD1 2.92Å; V344-Y387 HydrophobicContact CG2-CD1 4.46Å
345	G	83.7	Confident	84.1	Confident	64 Å²	64	45.8 Å²	45.8	66%	0.66	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	33.6	-174.6	0	0	0	0	0	112.6	K347 D386	G345-K347 PolarHBondContact O-N 3.04Å; G345-D386 PolarHBondContact N-OD1 2.74Å; G345-D386 PolarHBondContact N-OD2 3.31Å
346	G	84.6	Confident	83.3	Confident	60 Å²	60	46.9 Å²	46.9	62%	0.619	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	4.6	-178.8	0	0	0	0	0	115.1	V344 D386	V344-G346 VanDerWaalsContact C-N 3.26Å; V344-G346 PolarHBondContact O-N 3.44Å; G346-D386 PolarHBondContact N-OD1 3.03Å
347	K	80	Confident	82.5	Confident	129 Å²	129	47.4 Å²	47.4	56%	0.561	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	142.9	178	-63.7	-176.9	-178.2	-179.2	0	111.1	T343 V344 G345 M349 L353	T343-K347 CarbonylContact C-O 3.58Å; T343-K347 VanDerWaalsContact CA-O 3.24Å; T343-K347 WeakPolarHBondContact CA-O 3.49Å; T343-K347 VanDerWaalsContact CB-O 3.22Å; T343-K347 WeakPolarHBondContact CB-O 3.47Å; V344-K347 PolarHBondContact N-O 2.61Å; V344-K347 PolarHBondContact O-N 2.66Å; G345-K347 PolarHBondContact O-N 3.04Å; K347-M349 PolarHBondContact O-N 3.03Å; K347-L353 HydrophobicContact CD-CD1 4.49Å
348	K	78.1	Confident	81.9	Confident	108 Å²	108	49.6 Å²	49.6	47%	0.47	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	138.7	171.4	-169	178.3	-174.3	-179.6	0	109	D312 S350 N355	D312-K348 IonicContact OD2-NZ 3.99Å; D312-K348 PolarHBondContact OD2-NZ 3.01Å; K348-S350 PolarHBondContact O-N 2.93Å; K348-N355 PolarHBondContact O-ND2 2.72Å
349	M	80.6	Confident	81.3	Confident	13 Å²	13	49.6 Å²	49.6	6%	0.064	31%	0.307	C	S	.	.			trans	-63.7	127	174.3	-75.3	177.8	-82.9	0	0	109.9	L65 W342 V344 K347 N355 V357	L65-M349 HydrophobicContact CB-CE 3.92Å; L65-M349 HydrophobicContact CB-SD 3.99Å; L65-M349 HydrophobicContact CD2-CE 4.18Å; L65-M349 HydrophobicContact CD2-SD 4.45Å; L65-M349 HydrophobicContact CG-CE 4.49Å; W342-M349 HydrophobicContact CB-CE 3.46Å; W342-M349 VanDerWaalsContact CB-CE 3.46Å; W342-M349 VanDerWaalsContact O-CE 3.3Å; W342-M349 WeakPolarHBondContact O-CE 3.34Å; V344-M349 HydrophobicContact CG2-CG 3.86Å; V344-M349 HydrophobicContact CG2-SD 4.23Å; K347-M349 PolarHBondContact O-N 3.03Å; M349-N355 WeakPolarHBondContact CA-OD1 3.36Å; M349-V357 HydrophobicContact SD-CB 4.05Å; M349-V357 HydrophobicContact SD-CG2 4Å
350	S	70.2	Confident	80.7	Confident	33 Å²	33	51.9 Å²	51.9	23%	0.231	32%	0.317	C	S	.	.			trans	-148.2	146.5	171.8	82.3	0	0	0	0	110.8	K348 S352 L353 G354 N355 V356	K348-S350 PolarHBondContact O-N 2.93Å; S350-S352 VanDerWaalsContact C-N 3.27Å; S350-S352 PolarHBondContact O-N 3.35Å; S350-S352 PolarHBondContact OG-OG 3.26Å; S350-S352 VanDerWaalsContact OG-OG 3.05Å; S350-L353 PolarHBondContact O-N 3.25Å; S350-L353 WeakPolarHBondContact OG-CB 3.47Å; S350-L353 WeakPolarHBondContact OG-CD1 3.33Å; S350-L353 VanDerWaalsContact OG-CG 3.28Å; S350-L353 WeakPolarHBondContact OG-CG 3.42Å; S350-L353 PolarHBondContact OG-N 3.32Å; S350-G354 PolarHBondContact O-N 3.21Å; S350-N355 PolarHBondContact N-OD1 3.23Å; S350-N355 PolarHBondContact O-OD1 3.36Å; S350-N355 VanDerWaalsContact O-OD1 3.05Å; S350-V356 WeakPolarHBondContact O-CG2 3.38Å
351	K	66.4	Low	80.3	Confident	116 Å²	116	57.2 Å²	57.2	50%	0.504	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-62.4	-36.7	177.4	-70.9	-174.5	176.8	-176	0	112.2	A61 L353 G354 V356	A61-K351 HydrophobicContact CB-CD 4.08Å; K351-L353 PolarHBondContact O-N 3.25Å; K351-G354 PolarHBondContact O-N 3.19Å; K351-G354 VanDerWaalsContact O-N 3.08Å; K351-V356 HydrophobicContact CG-CG2 3.98Å
352	S	63.6	Low	80.1	Confident	114 Å²	114	57 Å²	57	80%	0.797	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-63	-29.3	178.9	52.6	0	0	0	0	113	S350	S350-S352 VanDerWaalsContact C-N 3.27Å; S350-S352 PolarHBondContact O-N 3.35Å; S350-S352 PolarHBondContact OG-OG 3.26Å; S350-S352 VanDerWaalsContact OG-OG 3.05Å
353	L	65.5	Low	79.7	Confident	100 Å²	100	57 Å²	57	52%	0.524	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-89	-6.8	176.4	-67.7	174.1	0	0	0	113.5	K347 S350 K351 N355	K347-L353 HydrophobicContact CD-CD1 4.49Å; S350-L353 PolarHBondContact O-N 3.25Å; S350-L353 WeakPolarHBondContact OG-CB 3.47Å; S350-L353 WeakPolarHBondContact OG-CD1 3.33Å; S350-L353 VanDerWaalsContact OG-CG 3.28Å; S350-L353 WeakPolarHBondContact OG-CG 3.42Å; S350-L353 PolarHBondContact OG-N 3.32Å; K351-L353 PolarHBondContact O-N 3.25Å; L353-N355 PolarHBondContact O-N 3.36Å; L353-N355 VanDerWaalsContact O-N 3.14Å
354	G	73.3	Confident	79.5	Confident	68 Å²	68	64.4 Å²	64.4	70%	0.701	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	15.5	-177.4	0	0	0	0	0	114.4	S350 K351	S350-G354 PolarHBondContact O-N 3.21Å; K351-G354 PolarHBondContact O-N 3.19Å; K351-G354 VanDerWaalsContact O-N 3.08Å
355	N	78.3	Confident	79.6	Confident	28 Å²	28	65.7 Å²	65.7	15%	0.15	38%	0.38	C	S	.	.			trans	-100.4	17	-176	71.5	-19.8	0	0	0	113.2	V344 K348 M349 S350 L353	V344-N355 HydrophobicContact CB-CB 4.33Å; V344-N355 HydrophobicContact CG1-CB 4.41Å; K348-N355 PolarHBondContact O-ND2 2.72Å; M349-N355 WeakPolarHBondContact CA-OD1 3.36Å; S350-N355 PolarHBondContact N-OD1 3.23Å; S350-N355 PolarHBondContact O-OD1 3.36Å; S350-N355 VanDerWaalsContact O-OD1 3.05Å; L353-N355 PolarHBondContact O-N 3.36Å; L353-N355 VanDerWaalsContact O-N 3.14Å
356	V	80.9	Confident	79.9	Confident	45 Å²	45	62.9 Å²	62.9	27%	0.273	35%	0.349	S	S	.	.			trans	-74.4	128.8	-178.7	-179.2	0	0	0	0	110.2	H64 S350 K351	H64-V356 HydrophobicContact CB-CG1 3.55Å; S350-V356 WeakPolarHBondContact O-CG2 3.38Å; K351-V356 HydrophobicContact CG-CG2 3.98Å
357	V	81.1	Confident	80.3	Confident	10 Å²	10	62.7 Å²	62.7	6%	0.061	34%	0.336	C	S	.	.			trans	-84.9	115.5	169.8	-180	0	0	0	0	108.3	L65 V344 M349 P359 H362 Y387	L65-V357 HydrophobicContact CB-CB 4.22Å; L65-V357 HydrophobicContact CD2-CB 4.24Å; L65-V357 HydrophobicContact CD2-CG1 4.21Å; V344-V357 HydrophobicContact CG2-CG2 3.7Å; M349-V357 HydrophobicContact SD-CB 4.05Å; M349-V357 HydrophobicContact SD-CG2 4Å; V357-P359 VanDerWaalsContact O-CD 3.25Å; V357-P359 WeakPolarHBondContact O-CD 3.5Å; V357-H362 VanDerWaalsContact CG1-CE1 3.5Å; V357-H362 WeakPolarHBondContact CG1-CE1 3.36Å; V357-H362 WeakPolarHBondContact CG1-ND1 3.32Å; V357-Y387 HydrophobicContact CG1-CD1 4.48Å; V357-Y387 HydrophobicContact CG1-CE1 3.97Å; V357-Y387 HydrophobicContact CG2-CD1 3.62Å; V357-Y387 HydrophobicContact CG2-CE1 3.79Å; V357-Y387 HydrophobicContact CG2-CG 4.27Å
358	D	85.8	Confident	80.9	Confident	58 Å²	58	58.4 Å²	58.4	31%	0.31	32%	0.319	S	S	.	.			trans	-73.6	112.6	174.1	-171.9	-21.5	0	0	0	109.9	F360 E361 H362	D358-F360 VanDerWaalsContact C-N 3.26Å; D358-F360 PolarHBondContact O-N 3.38Å; D358-F360 WeakPolarHBondContact OD1-CB 3.31Å; D358-F360 PolarHBondContact OD1-N 2.92Å; D358-E361 HydrophobicContact CB-CB 4.35Å; D358-E361 HydrophobicContact CB-CG 4.09Å; D358-E361 PolarHBondContact O-N 2.62Å; D358-H362 PolarHBondContact O-N 2.89Å; D358-H362 PolarHBondContact O-ND1 2.83Å
359	P	84.7	Confident	81.8	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.1	-22	-178.5	30	-35.9	0	0	0	113.7	L68 L126 V357 S363	L68-P359 HydrophobicContact CD2-CB 3.68Å; L126-P359 HydrophobicContact CD1-CB 3.8Å; L126-P359 HydrophobicContact CD1-CG 3.62Å; L126-P359 HydrophobicContact CD2-CB 4.26Å; L126-P359 HydrophobicContact CD2-CG 3.5Å; L126-P359 VanDerWaalsContact CD2-CG 3.5Å; L126-P359 HydrophobicContact CG-CG 4.21Å; V357-P359 VanDerWaalsContact O-CD 3.25Å; V357-P359 WeakPolarHBondContact O-CD 3.5Å; P359-S363 VanDerWaalsContact O-CB 3.28Å; P359-S363 WeakPolarHBondContact O-CB 3.48Å; P359-S363 PolarHBondContact O-N 3.28Å; P359-S363 PolarHBondContact O-OG 3.38Å
360	F	84.6	Confident	82.5	Confident	53 Å²	53	52.7 Å²	52.7	23%	0.232	29%	0.294	C	S	.	.	H	α-helix	trans	-68.7	-48.2	175.1	-73.4	-78.3	0	0	0	111.6	P63 T125 L126 D358 H362 S363 Q364	P63-F360 HydrophobicContact CG-CE2 4.37Å; T125-F360 HydrophobicContact CG2-CE1 4.2Å; T125-F360 HydrophobicContact CG2-CZ 4.41Å; L126-F360 VanDerWaalsContact CA-CZ 3.46Å; L126-F360 HydrophobicContact CB-CE1 4.11Å; L126-F360 HydrophobicContact CB-CE2 3.87Å; L126-F360 HydrophobicContact CB-CZ 3.48Å; L126-F360 VanDerWaalsContact CB-CZ 3.48Å; L126-F360 HydrophobicContact CD1-CD1 4.21Å; L126-F360 HydrophobicContact CD1-CD2 4.14Å; L126-F360 HydrophobicContact CD1-CE1 4.08Å; L126-F360 HydrophobicContact CD1-CE2 4.01Å; L126-F360 HydrophobicContact CD1-CG 4.25Å; L126-F360 HydrophobicContact CD1-CZ 4Å; L126-F360 HydrophobicContact CG-CE2 4.42Å; L126-F360 HydrophobicContact CG-CZ 4.33Å; D358-F360 VanDerWaalsContact C-N 3.26Å; D358-F360 PolarHBondContact O-N 3.38Å; D358-F360 WeakPolarHBondContact OD1-CB 3.31Å; D358-F360 PolarHBondContact OD1-N 2.92Å; F360-H362 VanDerWaalsContact C-N 3.29Å; F360-H362 PolarHBondContact O-N 3.28Å; F360-S363 PolarHBondContact O-OG 2.98Å; F360-Q364 WeakPolarHBondContact O-CG 3.3Å; F360-Q364 PolarHBondContact O-N 3.14Å
361	E	86.4	Confident	83.6	Confident	113 Å²	113	51.1 Å²	51.1	53%	0.528	28%	0.283	S	S	.	.	H	α-helix	trans	-62.2	-41.7	177.8	-63.2	-174	161.7	0	0	110.9	D358 Q364 M365	D358-E361 HydrophobicContact CB-CB 4.35Å; D358-E361 HydrophobicContact CB-CG 4.09Å; D358-E361 PolarHBondContact O-N 2.62Å; E361-Q364 PolarHBondContact O-N 3.35Å; E361-M365 HydrophobicContact CB-CE 3.82Å; E361-M365 WeakPolarHBondContact O-CE 3.31Å; E361-M365 WeakPolarHBondContact O-CG 3.39Å; E361-M365 PolarHBondContact O-N 3.46Å
362	H	86.1	Confident	85	Confident	24 Å²	24	45.6 Å²	45.6	11%	0.111	26%	0.259	C	S	.	.	H	α-helix	trans	-75.2	-33.1	-175.7	-71.1	80.6	0	0	0	113.8	V357 D358 F360 Q364 M365 F366 M371 Y387	V357-H362 VanDerWaalsContact CG1-CE1 3.5Å; V357-H362 WeakPolarHBondContact CG1-CE1 3.36Å; V357-H362 WeakPolarHBondContact CG1-ND1 3.32Å; D358-H362 PolarHBondContact O-N 2.89Å; D358-H362 PolarHBondContact O-ND1 2.83Å; F360-H362 VanDerWaalsContact C-N 3.29Å; F360-H362 PolarHBondContact O-N 3.28Å; H362-Q364 VanDerWaalsContact C-N 3.32Å; H362-M365 PolarHBondContact O-N 3.49Å; H362-F366 HydrophobicContact CB-CD2 4.46Å; H362-F366 AromaticContact CD2-CE2 3.95Å; H362-F366 WeakPolarHBondContact O-CB 3.5Å; H362-F366 PolarHBondContact O-N 2.88Å; H362-M371 HydrophobicContact CB-CE 3.96Å; H362-M371 HydrophobicContact CB-SD 3.97Å; H362-Y387 AromaticContact CD2-CZ 3.97Å; H362-Y387 PolarHBondContact CD2-OH 3.5Å; H362-Y387 PolarHBondContact NE2-OH 3.06Å
363	S	83.6	Confident	86.6	Confident	9 Å²	9	40.6 Å²	40.6	6%	0.063	22%	0.223	C	C	.	.	H	α-helix	trans	-66.7	-33.9	171.6	51.9	0	0	0	0	112.3	P359 F360 T367 N368	P359-S363 VanDerWaalsContact O-CB 3.28Å; P359-S363 WeakPolarHBondContact O-CB 3.48Å; P359-S363 PolarHBondContact O-N 3.28Å; P359-S363 PolarHBondContact O-OG 3.38Å; F360-S363 PolarHBondContact O-OG 2.98Å; S363-T367 CarbonylContact O-C 3.19Å; S363-T367 WeakPolarHBondContact O-CA 3.38Å; S363-T367 PolarHBondContact O-N 3.09Å; S363-N368 WeakPolarHBondContact CB-OD1 3.27Å
364	Q	86	Confident	88.1	Confident	166 Å²	166	35.9 Å²	35.9	78%	0.776	20%	0.198	S	C	*	.	H	α-helix	trans	-67.9	-40.7	171.5	-69	178.2	2.4	0	0	112	F360 E361 H362	F360-Q364 WeakPolarHBondContact O-CG 3.3Å; F360-Q364 PolarHBondContact O-N 3.14Å; E361-Q364 PolarHBondContact O-N 3.35Å; H362-Q364 VanDerWaalsContact C-N 3.32Å
365	M	87.9	Confident	89.2	Confident	69 Å²	69	32.6 Å²	32.6	34%	0.34	17%	0.165	S	C	.	.	H	α-helix	trans	-68.6	-40	179.8	-75	-175.3	-96.1	0	0	113.4	E361 H362	E361-M365 HydrophobicContact CB-CE 3.82Å; E361-M365 WeakPolarHBondContact O-CE 3.31Å; E361-M365 WeakPolarHBondContact O-CG 3.39Å; E361-M365 PolarHBondContact O-N 3.46Å; H362-M365 PolarHBondContact O-N 3.49Å
366	F	90.9	Very high	90.1	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.022	16%	0.158	C	C	.	.	H	α-helix	trans	-114.6	3.5	-169.4	-60.1	-47.5	0	0	0	114.6	H362 G370 M371 H389 V392 L396 L576	H362-F366 HydrophobicContact CB-CD2 4.46Å; H362-F366 AromaticContact CD2-CE2 3.95Å; H362-F366 WeakPolarHBondContact O-CB 3.5Å; H362-F366 PolarHBondContact O-N 2.88Å; F366-G370 WeakPolarHBondContact O-CA 3.48Å; F366-M371 HydrophobicContact CB-CG 4.19Å; F366-M371 HydrophobicContact CB-SD 4.28Å; F366-M371 HydrophobicContact CD2-SD 3.65Å; F366-M371 HydrophobicContact CG-SD 4.45Å; F366-H389 AromaticContact CE1-CE1 3.75Å; F366-H389 AromaticContact CE2-ND1 3.93Å; F366-H389 AromaticContact CZ-CE1 3.23Å; F366-H389 WeakPolarHBondContact CZ-CE1 3.36Å; F366-H389 AromaticContact CZ-CG 3.92Å; F366-H389 AromaticContact CZ-ND1 3.32Å; F366-H389 VanDerWaalsContact CZ-ND1 3.32Å; F366-H389 WeakPolarHBondContact CZ-ND1 3.35Å; F366-H389 AromaticContact CZ-NE2 3.77Å; F366-V392 HydrophobicContact CB-CG1 4.46Å; F366-V392 HydrophobicContact CD1-CG1 4.16Å; F366-V392 HydrophobicContact CD2-CB 4.42Å; F366-V392 HydrophobicContact CD2-CG1 3.59Å; F366-V392 HydrophobicContact CE1-CG1 4.17Å; F366-V392 HydrophobicContact CE2-CB 3.9Å; F366-V392 HydrophobicContact CE2-CG1 3.57Å; F366-V392 HydrophobicContact CE2-CG2 4.23Å; F366-V392 HydrophobicContact CG-CG1 3.83Å; F366-V392 HydrophobicContact CZ-CB 3.93Å; F366-V392 HydrophobicContact CZ-CG1 3.82Å; F366-L396 HydrophobicContact CB-CD1 4.02Å; F366-L396 HydrophobicContact CG-CD1 4.46Å; F366-L576 HydrophobicContact CD1-CD1 3.54Å; F366-L576 HydrophobicContact CD1-CD2 4.28Å; F366-L576 HydrophobicContact CD1-CG 4.46Å; F366-L576 HydrophobicContact CE1-CD1 4.11Å; F366-L576 HydrophobicContact CG-CD1 4.47Å
367	T	92.8	Very high	90.8	Very high	56 Å²	56	30.5 Å²	30.5	34%	0.344	15%	0.15	S	C	.	.			trans	66.2	157.9	-164.1	78.8	0	0	0	0	112.9	S363 G370 M371 F573	S363-T367 CarbonylContact O-C 3.19Å; S363-T367 WeakPolarHBondContact O-CA 3.38Å; S363-T367 PolarHBondContact O-N 3.09Å; T367-G370 PolarHBondContact O-N 3.34Å; T367-G370 PolarHBondContact OG1-N 2.97Å; T367-M371 PolarHBondContact O-N 3.32Å; T367-M371 VanDerWaalsContact O-N 3.09Å; T367-F573 HydrophobicContact CG2-CE2 4.37Å; T367-F573 WeakPolarHBondContact OG1-CE2 3.3Å
368	N	92.8	Very high	91.5	Very high	39 Å²	39	33.5 Å²	33.5	21%	0.209	16%	0.163	C	C	.	.	H	α-helix	trans	-58.2	-53.6	175.8	-65.8	-36.3	0	0	0	111.4	N129 S363 G370 M371 R372	N129-N368 PolarHBondContact O-ND2 3.13Å; N129-N368 PolarHBondContact O-OD1 3.21Å; N129-N368 VanDerWaalsContact O-OD1 3.1Å; S363-N368 WeakPolarHBondContact CB-OD1 3.27Å; N368-G370 VanDerWaalsContact C-N 3.31Å; N368-G370 PolarHBondContact O-N 3.17Å; N368-M371 PolarHBondContact O-N 3.12Å; N368-R372 VanDerWaalsContact O-CG 3.29Å; N368-R372 WeakPolarHBondContact O-CG 3.43Å; N368-R372 PolarHBondContact O-N 3.18Å
369	D	95.6	Very high	91.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66	-32	-179.8	-89.5	11.2	0	0	0	113	R372 Y373 V524 P525 E526 I527	D369-R372 PolarHBondContact O-N 3.14Å; D369-R372 WeakPolarHBondContact OD1-CD 3.41Å; D369-R372 IonicContact OD1-NE 2.83Å; D369-Y373 VanDerWaalsContact O-CB 3.25Å; D369-Y373 WeakPolarHBondContact O-CB 3.47Å; D369-Y373 PolarHBondContact O-N 3.11Å; D369-V524 HydrophobicContact CB-CB 4.02Å; D369-V524 HydrophobicContact CB-CG1 3.94Å; D369-V524 WeakPolarHBondContact O-CG1 3.43Å; D369-V524 VanDerWaalsContact OD2-CA 3.27Å; D369-V524 WeakPolarHBondContact OD2-CA 3.44Å; D369-V524 WeakPolarHBondContact OD2-CB 3.32Å; D369-P525 WeakPolarHBondContact OD1-CD 3.38Å; D369-E526 WeakPolarHBondContact OD2-CA 3.47Å; D369-E526 VanDerWaalsContact OD2-CB 3.32Å; D369-E526 WeakPolarHBondContact OD2-CB 3.45Å; D369-E526 PolarHBondContact OD2-N 3Å; D369-I527 HydrophobicContact CB-CD1 3.62Å; D369-I527 HydrophobicContact CB-CG1 3.77Å; D369-I527 PolarHBondContact OD2-N 3.3Å
370	G	95.9	Very high	92.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-45.8	172.1	0	0	0	0	0	112.1	F366 T367 N368 Y373 F374 L396	F366-G370 WeakPolarHBondContact O-CA 3.48Å; T367-G370 PolarHBondContact O-N 3.34Å; T367-G370 PolarHBondContact OG1-N 2.97Å; N368-G370 VanDerWaalsContact C-N 3.31Å; N368-G370 PolarHBondContact O-N 3.17Å; G370-Y373 PolarHBondContact O-N 3.21Å; G370-F374 WeakPolarHBondContact O-CB 3.49Å; G370-F374 PolarHBondContact O-N 2.67Å; G370-L396 VanDerWaalsContact O-CD2 3.24Å; G370-L396 WeakPolarHBondContact O-CD2 3.41Å
371	M	93.4	Very high	92.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-44.7	174.3	-76.4	-60.9	-68.3	0	0	112.3	L65 M72 H362 F366 T367 N368 Y373 F374 L375 Y387	L65-M371 HydrophobicContact CD1-CE 3.45Å; L65-M371 VanDerWaalsContact CD1-CE 3.45Å; M72-M371 HydrophobicContact CE-CB 4.44Å; H362-M371 HydrophobicContact CB-CE 3.96Å; H362-M371 HydrophobicContact CB-SD 3.97Å; F366-M371 HydrophobicContact CB-CG 4.19Å; F366-M371 HydrophobicContact CB-SD 4.28Å; F366-M371 HydrophobicContact CD2-SD 3.65Å; F366-M371 HydrophobicContact CG-SD 4.45Å; T367-M371 PolarHBondContact O-N 3.32Å; T367-M371 VanDerWaalsContact O-N 3.09Å; N368-M371 PolarHBondContact O-N 3.12Å; M371-Y373 PolarHBondContact O-N 2.96Å; M371-F374 PolarHBondContact O-N 2.91Å; M371-L375 HydrophobicContact CE-CD1 4.35Å; M371-L375 WeakPolarHBondContact O-CB 3.36Å; M371-L375 VanDerWaalsContact O-CG 3.31Å; M371-L375 WeakPolarHBondContact O-CG 3.15Å; M371-L375 PolarHBondContact O-N 2.95Å; M371-Y387 HydrophobicContact CE-CE2 4.46Å
372	R	95.9	Very high	92.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.9	-49.6	176.5	-66.9	172.3	63.4	89.5	7.2	111.6	M72 D75 C130 S131 N368 D369 F374 L375 L376 P522 V523	M72-R372 HydrophobicContact CE-CB 4.15Å; M72-R372 HydrophobicContact CE-CG 3.39Å; M72-R372 HydrophobicContact CG-CG 4.28Å; M72-R372 HydrophobicContact SD-CB 4.19Å; M72-R372 HydrophobicContact SD-CG 3.88Å; D75-R372 IonicContact OD2-CZ 3.53Å; D75-R372 IonicContact OD2-NH1 2.58Å; D75-R372 PolarHBondContact OD2-NH1 3.02Å; D75-R372 IonicContact OD2-NH2 3.64Å; D75-R372 PolarHBondContact OD2-NH2 3.39Å; C130-R372 PolarHBondContact O-NH1 2.81Å; S131-R372 PolarHBondContact O-NH1 3.33Å; N368-R372 VanDerWaalsContact O-CG 3.29Å; N368-R372 WeakPolarHBondContact O-CG 3.43Å; N368-R372 PolarHBondContact O-N 3.18Å; D369-R372 PolarHBondContact O-N 3.14Å; D369-R372 WeakPolarHBondContact OD1-CD 3.41Å; D369-R372 IonicContact OD1-NE 2.83Å; R372-F374 PolarHBondContact O-N 3.17Å; R372-L375 PolarHBondContact O-N 2.73Å; R372-L376 WeakPolarHBondContact O-CB 3.48Å; R372-L376 WeakPolarHBondContact O-CG 3.47Å; R372-L376 PolarHBondContact O-N 2.79Å; R372-P522 PolarHBondContact NH2-O 3.27Å; R372-V523 WeakPolarHBondContact CB-O 3.39Å; R372-V523 PolarHBondContact NE-O 3.49Å; R372-V523 PolarHBondContact NH2-O 2.96Å
373	Y	97.7	Very high	92.8	Very high	8 Å²	8	30.5 Å²	30.5	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-57.5	-52.6	177.9	-169.9	-95.4	0	0	0	110.5	D369 G370 M371 L375 L376 R377 L395 L396 E399 L400 L469 L520 V523 V524	D369-Y373 VanDerWaalsContact O-CB 3.25Å; D369-Y373 WeakPolarHBondContact O-CB 3.47Å; D369-Y373 PolarHBondContact O-N 3.11Å; G370-Y373 PolarHBondContact O-N 3.21Å; M371-Y373 PolarHBondContact O-N 2.96Å; Y373-L375 PolarHBondContact O-N 2.66Å; Y373-L376 PolarHBondContact O-N 3.15Å; Y373-R377 HydrophobicContact CD1-CB 4.19Å; Y373-R377 HydrophobicContact CD1-CG 4.44Å; Y373-R377 HydrophobicContact CE1-CB 4.08Å; Y373-R377 HydrophobicContact CE1-CG 3.87Å; Y373-R377 WeakPolarHBondContact O-CA 3.4Å; Y373-R377 WeakPolarHBondContact O-CB 3.47Å; Y373-R377 PolarHBondContact O-N 3.2Å; Y373-L395 HydrophobicContact CE1-CG 4.47Å; Y373-L396 HydrophobicContact CD1-CD2 3.81Å; Y373-L396 HydrophobicContact CG-CD2 4.4Å; Y373-E399 HydrophobicContact CE1-CB 4.11Å; Y373-E399 VanDerWaalsContact CE1-OE2 3.24Å; Y373-E399 WeakPolarHBondContact CE1-OE2 3.4Å; Y373-E399 VanDerWaalsContact CZ-OE2 3.29Å; Y373-E399 PolarHBondContact OH-OE2 3.21Å; Y373-L400 HydrophobicContact CD1-CD1 4.16Å; Y373-L400 HydrophobicContact CD1-CD2 4.2Å; Y373-L400 HydrophobicContact CD1-CG 4.14Å; Y373-L400 HydrophobicContact CD2-CD2 3.81Å; Y373-L400 HydrophobicContact CE1-CD2 4.22Å; Y373-L400 HydrophobicContact CE1-CG 4.34Å; Y373-L400 HydrophobicContact CE2-CD2 3.83Å; Y373-L400 HydrophobicContact CG-CD1 4.01Å; Y373-L400 HydrophobicContact CG-CD2 4Å; Y373-L400 HydrophobicContact CG-CG 4.25Å; Y373-L469 HydrophobicContact CE2-CD1 4.4Å; Y373-L469 HydrophobicContact CE2-CD2 4.08Å; Y373-L520 HydrophobicContact CE2-CD2 4.32Å; Y373-V523 HydrophobicContact CD2-CG1 4.23Å; Y373-V524 HydrophobicContact CD2-CG1 3.92Å; Y373-V524 HydrophobicContact CG-CG1 4.28Å
374	F	96.6	Very high	93.2	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-57.1	-50.8	-178.5	177.2	-95.4	0	0	0	112.2	W342 G370 M371 R372 L376 R377 Q378 Y387 K391 V392 L395 L396	W342-F374 HydrophobicContact CH2-CD1 4.39Å; W342-F374 AromaticContact CH2-CE1 3.74Å; W342-F374 HydrophobicContact CH2-CE1 3.74Å; W342-F374 HydrophobicContact CH2-CZ 4.29Å; W342-F374 AromaticContact CZ3-CE1 3.84Å; W342-F374 HydrophobicContact CZ3-CE1 3.84Å; W342-F374 HydrophobicContact CZ3-CZ 4.3Å; G370-F374 WeakPolarHBondContact O-CB 3.49Å; G370-F374 PolarHBondContact O-N 2.67Å; M371-F374 PolarHBondContact O-N 2.91Å; R372-F374 PolarHBondContact O-N 3.17Å; F374-L376 PolarHBondContact O-N 2.71Å; F374-R377 PolarHBondContact O-N 2.88Å; F374-Q378 HydrophobicContact CD2-CG 4.08Å; F374-Q378 HydrophobicContact CE2-CB 4.37Å; F374-Q378 HydrophobicContact CE2-CG 3.8Å; F374-Q378 HydrophobicContact CZ-CB 4.37Å; F374-Q378 HydrophobicContact CZ-CG 4.26Å; F374-Q378 WeakPolarHBondContact O-CB 3.37Å; F374-Q378 PolarHBondContact O-N 3.48Å; F374-Y387 HydrophobicContact CD1-CD2 4.45Å; F374-Y387 HydrophobicContact CD1-CE2 4.45Å; F374-Y387 AromaticContact CE1-CD2 3.75Å; F374-Y387 HydrophobicContact CE1-CD2 3.75Å; F374-Y387 HydrophobicContact CE1-CE2 4.09Å; F374-Y387 HydrophobicContact CZ-CD2 4.49Å; F374-K391 HydrophobicContact CE2-CB 3.98Å; F374-K391 HydrophobicContact CZ-CB 4.22Å; F374-V392 HydrophobicContact CB-CG1 4.3Å; F374-V392 HydrophobicContact CD1-CG2 3.78Å; F374-V392 HydrophobicContact CD2-CB 4.03Å; F374-V392 HydrophobicContact CD2-CG1 4.22Å; F374-V392 HydrophobicContact CD2-CG2 3.77Å; F374-V392 HydrophobicContact CE1-CG2 3.7Å; F374-V392 HydrophobicContact CE2-CB 4.19Å; F374-V392 HydrophobicContact CE2-CG2 3.68Å; F374-V392 HydrophobicContact CG-CB 4.32Å; F374-V392 HydrophobicContact CG-CG1 4.17Å; F374-V392 HydrophobicContact CG-CG2 3.82Å; F374-V392 HydrophobicContact CZ-CG2 3.64Å; F374-L395 HydrophobicContact CD2-CB 4.44Å; F374-L395 HydrophobicContact CD2-CD2 3.63Å; F374-L395 HydrophobicContact CE2-CD2 4.25Å; F374-L396 HydrophobicContact CB-CD2 4.31Å
375	L	95.6	Very high	93.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.8	-40	-175.8	-67.8	171.1	0	0	0	112.1	L65 Y69 M72 W342 M371 R372 Y373 G379	L65-L375 HydrophobicContact CD1-CD1 3.74Å; L65-L375 HydrophobicContact CD1-CD2 3.95Å; L65-L375 HydrophobicContact CD1-CG 4.4Å; L65-L375 HydrophobicContact CD2-CD2 3.99Å; L65-L375 HydrophobicContact CG-CD1 4.42Å; L65-L375 HydrophobicContact CG-CD2 3.98Å; Y69-L375 HydrophobicContact CD2-CB 4.06Å; Y69-L375 WeakPolarHBondContact CE2-O 3.27Å; M72-L375 HydrophobicContact CE-CD1 3.95Å; M72-L375 HydrophobicContact SD-CB 4.21Å; M72-L375 HydrophobicContact SD-CD1 3.48Å; M72-L375 WeakPolarHBondContact SD-CD1 3.5Å; M72-L375 HydrophobicContact SD-CG 4.45Å; W342-L375 HydrophobicContact CD2-CD2 4.01Å; W342-L375 VanDerWaalsContact CE2-CD2 3.49Å; W342-L375 HydrophobicContact CG-CD2 4.42Å; W342-L375 HydrophobicContact CH2-CD2 4.38Å; W342-L375 HydrophobicContact CZ2-CB 4.39Å; W342-L375 HydrophobicContact CZ2-CD2 3.72Å; W342-L375 WeakPolarHBondContact CZ2-O 3.2Å; M371-L375 HydrophobicContact CE-CD1 4.35Å; M371-L375 WeakPolarHBondContact O-CB 3.36Å; M371-L375 VanDerWaalsContact O-CG 3.31Å; M371-L375 WeakPolarHBondContact O-CG 3.15Å; M371-L375 PolarHBondContact O-N 2.95Å; R372-L375 PolarHBondContact O-N 2.73Å; Y373-L375 PolarHBondContact O-N 2.66Å; L375-G379 VanDerWaalsContact O-CA 3.29Å; L375-G379 WeakPolarHBondContact O-CA 3.46Å; L375-G379 PolarHBondContact O-N 3.01Å
376	L	97.1	Very high	93.7	Very high	3 Å²	3	25 Å²	25	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-80.1	-24.8	179.2	-66.3	171.2	0	0	0	112.9	M72 I73 C76 R372 Y373 F374 V465 Y466 L469 V523	M72-L376 HydrophobicContact CB-CD1 4.49Å; M72-L376 HydrophobicContact CB-CD2 4.45Å; I73-L376 HydrophobicContact CG1-CD2 3.98Å; C76-L376 HydrophobicContact CB-CD1 4.04Å; R372-L376 WeakPolarHBondContact O-CB 3.48Å; R372-L376 WeakPolarHBondContact O-CG 3.47Å; R372-L376 PolarHBondContact O-N 2.79Å; Y373-L376 PolarHBondContact O-N 3.15Å; F374-L376 PolarHBondContact O-N 2.71Å; L376-V465 HydrophobicContact CB-CG1 3.92Å; L376-V465 HydrophobicContact CD2-CG1 4.44Å; L376-Y466 WeakPolarHBondContact O-CA 3.4Å; L376-Y466 PolarHBondContact O-N 2.82Å; L376-L469 HydrophobicContact CB-CD1 4.21Å; L376-V523 HydrophobicContact CB-CG1 4.17Å; L376-V523 HydrophobicContact CD1-CB 4.27Å; L376-V523 HydrophobicContact CD1-CG1 3.84Å; L376-V523 HydrophobicContact CD1-CG2 4.12Å
377	R	97.1	Very high	93.7	Very high	26 Å²	26	25.3 Å²	25.3	10%	0.098	14%	0.138	C	C	.	.	H	α-helix	trans	-82.5	-32.2	179.6	178.6	62	-177	88	-0.9	113.7	Y373 F374 L395 E399 Y466 L469 E470	Y373-R377 HydrophobicContact CD1-CB 4.19Å; Y373-R377 HydrophobicContact CD1-CG 4.44Å; Y373-R377 HydrophobicContact CE1-CB 4.08Å; Y373-R377 HydrophobicContact CE1-CG 3.87Å; Y373-R377 WeakPolarHBondContact O-CA 3.4Å; Y373-R377 WeakPolarHBondContact O-CB 3.47Å; Y373-R377 PolarHBondContact O-N 3.2Å; F374-R377 PolarHBondContact O-N 2.88Å; R377-L395 HydrophobicContact CB-CD2 4.19Å; R377-L395 HydrophobicContact CG-CD1 4.31Å; R377-L395 HydrophobicContact CG-CD2 3.78Å; R377-L395 HydrophobicContact CG-CG 4.49Å; R377-E399 IonicContact CZ-OE1 3.11Å; R377-E399 IonicContact NE-OE1 3.27Å; R377-E399 IonicContact NE-OE2 2.63Å; R377-E399 PolarHBondContact NE-OE2 2.92Å; R377-E399 VanDerWaalsContact NE-OE2 3.11Å; R377-E399 IonicContact NH2-OE1 3.55Å; R377-E399 PolarHBondContact NH2-OE1 2.92Å; R377-E399 VanDerWaalsContact NH2-OE1 3.17Å; R377-Y466 WeakPolarHBondContact O-CB 3.33Å; R377-L469 HydrophobicContact CB-CD1 3.83Å; R377-E470 IonicContact CZ-OE1 3.92Å; R377-E470 IonicContact NH1-OE1 3.38Å; R377-E470 PolarHBondContact NH1-OE1 2.96Å; R377-E470 IonicContact NH2-OE1 3.84Å
378	Q	95.3	Very high	93.6	Very high	73 Å²	73	24.9 Å²	24.9	34%	0.341	14%	0.136	S	C	.	.	H	α-helix	trans	-108	-20.5	-177.5	-69.6	-69.2	-27.4	0	0	112.8	W342 F374 V380 C385 L395	W342-Q378 HydrophobicContact CH2-CB 3.75Å; F374-Q378 HydrophobicContact CD2-CG 4.08Å; F374-Q378 HydrophobicContact CE2-CB 4.37Å; F374-Q378 HydrophobicContact CE2-CG 3.8Å; F374-Q378 HydrophobicContact CZ-CB 4.37Å; F374-Q378 HydrophobicContact CZ-CG 4.26Å; F374-Q378 WeakPolarHBondContact O-CB 3.37Å; F374-Q378 PolarHBondContact O-N 3.48Å; Q378-V380 PolarHBondContact O-N 3.38Å; Q378-C385 PolarHBondContact O-SG 2.77Å; Q378-C385 VanDerWaalsContact O-SG 3.34Å; Q378-L395 HydrophobicContact CG-CD2 3.62Å
379	G	92.9	Very high	93.5	Very high	3 Å²	3	26.2 Å²	26.2	3%	0.031	14%	0.14	C	C	.	.			trans	-69.7	117.8	176.3	0	0	0	0	0	111.2	Y69 L375	Y69-G379 WeakPolarHBondContact OH-CA 3.47Å; L375-G379 VanDerWaalsContact O-CA 3.29Å; L375-G379 WeakPolarHBondContact O-CA 3.46Å; L375-G379 PolarHBondContact O-N 3.01Å
380	V	92.1	Very high	93.3	Very high	35 Å²	35	29.7 Å²	29.7	21%	0.212	16%	0.159	C	C	.	.			trans	-103.5	124.5	174.3	-171.2	0	0	0	0	108.3	Q378 D382 T383 C385 Y466	Q378-V380 PolarHBondContact O-N 3.38Å; V380-D382 VanDerWaalsContact C-N 3.25Å; V380-D382 WeakPolarHBondContact CG1-OD1 3.42Å; V380-D382 PolarHBondContact O-N 2.84Å; V380-T383 PolarHBondContact O-N 3.36Å; V380-C385 PolarHBondContact N-SG 3.29Å; V380-Y466 HydrophobicContact CG1-CE1 4.06Å; V380-Y466 HydrophobicContact CG2-CE2 4.48Å
381	P	89	Confident	93.2	Very high	8 Å²	8	34.1 Å²	34.1	5%	0.052	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.6	-175.8	-29.3	35.7	0	0	0	114.6	P237 H339 S340 M463	P237-P381 HydrophobicContact CG-CB 3.72Å; H339-P381 CarbonylContact C-O 3.55Å; H339-P381 WeakPolarHBondContact CA-O 3.41Å; S340-P381 VanDerWaalsContact CB-O 3.31Å; S340-P381 WeakPolarHBondContact CB-O 3.39Å; S340-P381 PolarHBondContact N-O 3.46Å; S340-P381 PolarHBondContact OG-O 2.87Å; P381-M463 HydrophobicContact CB-CE 3.71Å; P381-M463 HydrophobicContact CG-CE 3.95Å; P381-M463 VanDerWaalsContact CG-O 3.31Å; P381-M463 WeakPolarHBondContact CG-O 3.37Å
382	D	89.2	Confident	93.3	Very high	60 Å²	60	34 Å²	34	32%	0.321	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	3.1	-174	68	5.2	0	0	0	114.2	P237 R239 S340 V380	P237-D382 HydrophobicContact CG-CB 4.31Å; R239-D382 HydrophobicContact CG-CB 4.49Å; R239-D382 PolarHBondContact NE-O 3.39Å; R239-D382 PolarHBondContact NH1-O 3.45Å; R239-D382 PolarHBondContact NH2-O 3.31Å; R239-D382 VanDerWaalsContact NH2-O 3.12Å; S340-D382 VanDerWaalsContact OG-C 3.26Å; V380-D382 VanDerWaalsContact C-N 3.25Å; V380-D382 WeakPolarHBondContact CG1-OD1 3.42Å; V380-D382 PolarHBondContact O-N 2.84Å
383	T	90.5	Very high	93.2	Very high	78 Å²	78	34.6 Å²	34.6	48%	0.479	18%	0.181	S	C	.	.	S	Bend	trans	-143.3	139.4	-178.5	-54	0	0	0	0	110.5	S340 V380 C385	S340-T383 VanDerWaalsContact CB-O 3.27Å; S340-T383 WeakPolarHBondContact CB-O 3.33Å; S340-T383 PolarHBondContact OG-N 3.43Å; V380-T383 PolarHBondContact O-N 3.36Å; T383-C385 PolarHBondContact O-N 2.82Å; T383-C385 PolarHBondContact O-SG 2.82Å; T383-C385 VanDerWaalsContact O-SG 3.4Å
384	D	92.4	Very high	93.2	Very high	67 Å²	67	40 Å²	40	36%	0.358	21%	0.205	S	C	.	.			trans	-65.7	136.7	175.8	-70	-12.6	0	0	0	110	K311 S340 H341 T343	K311-D384 WeakPolarHBondContact CE-OD1 3.43Å; K311-D384 IonicContact NZ-OD1 2.81Å; K311-D384 PolarHBondContact NZ-OD1 2.87Å; K311-D384 IonicContact NZ-OD2 3.64Å; K311-D384 PolarHBondContact NZ-OD2 2.86Å; S340-D384 VanDerWaalsContact CB-OD1 3.3Å; S340-D384 WeakPolarHBondContact CB-OD1 3.26Å; H341-D384 PolarHBondContact N-OD1 3.19Å; H341-D384 VanDerWaalsContact O-CA 3.27Å; H341-D384 WeakPolarHBondContact O-CA 3.34Å; T343-D384 HydrophobicContact CG2-CB 4.16Å
385	C	92.4	Very high	93.2	Very high	19 Å²	19	40.9 Å²	40.9	13%	0.128	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.4	-175.4	-62.7	0	0	0	0	110.4	H341 W342 T343 Q378 V380 T383	H341-C385 PolarHBondContact O-N 3.36Å; W342-C385 CarbonylContact C-O 3.56Å; W342-C385 VanDerWaalsContact CA-O 3.31Å; W342-C385 WeakPolarHBondContact CA-O 3.49Å; W342-C385 HydrophobicContact CD2-CB 4.23Å; W342-C385 HydrophobicContact CE3-CB 3.79Å; W342-C385 VanDerWaalsContact CE3-O 3.22Å; W342-C385 HydrophobicContact CH2-CB 3.87Å; W342-C385 HydrophobicContact CZ2-CB 4.29Å; W342-C385 HydrophobicContact CZ3-CB 3.6Å; T343-C385 PolarHBondContact N-O 3.27Å; T343-C385 PolarHBondContact OG1-O 3.2Å; Q378-C385 PolarHBondContact O-SG 2.77Å; Q378-C385 VanDerWaalsContact O-SG 3.34Å; V380-C385 PolarHBondContact N-SG 3.29Å; T383-C385 PolarHBondContact O-N 2.82Å; T383-C385 PolarHBondContact O-SG 2.82Å; T383-C385 VanDerWaalsContact O-SG 3.4Å
386	D	91.6	Very high	93.3	Very high	44 Å²	44	40.9 Å²	40.9	24%	0.235	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	122.7	-179.3	-159.2	62.6	0	0	0	112.1	T343 V344 G345 G346 K391	T343-D386 WeakPolarHBondContact OG1-CA 3.05Å; T343-D386 PolarHBondContact OG1-OD1 2.89Å; V344-D386 VanDerWaalsContact C-OD1 3.32Å; V344-D386 WeakPolarHBondContact CA-OD1 3.43Å; V344-D386 PolarHBondContact N-OD1 2.92Å; G345-D386 PolarHBondContact N-OD1 2.74Å; G345-D386 PolarHBondContact N-OD2 3.31Å; G346-D386 PolarHBondContact N-OD1 3.03Å; D386-K391 PolarHBondContact O-NZ 3.42Å; D386-K391 VanDerWaalsContact O-NZ 3.16Å
387	Y	91.7	Very high	93.4	Very high	10 Å²	10	41.1 Å²	41.1	4%	0.039	21%	0.211	C	C	.	.			trans	-80.1	126.8	176.3	178.3	-87.5	0	0	0	110.6	L65 T343 V344 V357 H362 M371 F374 V392	L65-Y387 HydrophobicContact CD2-CD2 3.69Å; L65-Y387 HydrophobicContact CD2-CE2 4.18Å; L65-Y387 HydrophobicContact CD2-CG 4.1Å; T343-Y387 WeakPolarHBondContact O-CB 3.24Å; T343-Y387 PolarHBondContact O-N 3.01Å; V344-Y387 HydrophobicContact CG2-CD1 4.46Å; V357-Y387 HydrophobicContact CG1-CD1 4.48Å; V357-Y387 HydrophobicContact CG1-CE1 3.97Å; V357-Y387 HydrophobicContact CG2-CD1 3.62Å; V357-Y387 HydrophobicContact CG2-CE1 3.79Å; V357-Y387 HydrophobicContact CG2-CG 4.27Å; H362-Y387 AromaticContact CD2-CZ 3.97Å; H362-Y387 PolarHBondContact CD2-OH 3.5Å; H362-Y387 PolarHBondContact NE2-OH 3.06Å; M371-Y387 HydrophobicContact CE-CE2 4.46Å; F374-Y387 HydrophobicContact CD1-CD2 4.45Å; F374-Y387 HydrophobicContact CD1-CE2 4.45Å; F374-Y387 AromaticContact CE1-CD2 3.75Å; F374-Y387 HydrophobicContact CE1-CD2 3.75Å; F374-Y387 HydrophobicContact CE1-CE2 4.09Å; F374-Y387 HydrophobicContact CZ-CD2 4.49Å; Y387-V392 HydrophobicContact CD2-CG2 4.27Å; Y387-V392 HydrophobicContact CE2-CG2 3.51Å
388	T	90.7	Very high	93.4	Very high	47 Å²	47	42.1 Å²	42.1	29%	0.288	22%	0.224	S	C	.	.			trans	-138.8	140	166.9	73.6	0	0	0	0	110.5	D390 K391 V392	T388-D390 VanDerWaalsContact C-N 3.25Å; T388-D390 PolarHBondContact O-N 3.3Å; T388-K391 HydrophobicContact CG2-CD 4.47Å; T388-K391 PolarHBondContact O-N 3.49Å; T388-K391 VanDerWaalsContact O-N 3.12Å; T388-K391 WeakPolarHBondContact OG1-CB 3.45Å; T388-K391 WeakPolarHBondContact OG1-CD 3.34Å; T388-K391 WeakPolarHBondContact OG1-CG 3.48Å; T388-K391 PolarHBondContact OG1-N 3.3Å; T388-V392 PolarHBondContact O-N 3.33Å
389	H	89.9	Confident	93.6	Very high	67 Å²	67	39.6 Å²	39.6	31%	0.31	21%	0.212	S	C	.	.	H	α-helix	trans	-55.1	-41.3	179.8	-174.4	97.7	0	0	0	112.3	F366 K391 V392 L393	F366-H389 AromaticContact CE1-CE1 3.75Å; F366-H389 AromaticContact CE2-ND1 3.93Å; F366-H389 AromaticContact CZ-CE1 3.23Å; F366-H389 WeakPolarHBondContact CZ-CE1 3.36Å; F366-H389 AromaticContact CZ-CG 3.92Å; F366-H389 AromaticContact CZ-ND1 3.32Å; F366-H389 VanDerWaalsContact CZ-ND1 3.32Å; F366-H389 WeakPolarHBondContact CZ-ND1 3.35Å; F366-H389 AromaticContact CZ-NE2 3.77Å; H389-K391 PolarHBondContact O-N 3.38Å; H389-V392 PolarHBondContact O-N 3.34Å; H389-L393 PolarHBondContact O-N 3.16Å
390	D	91.8	Very high	93.8	Very high	74 Å²	74	39.5 Å²	39.5	40%	0.396	21%	0.211	S	C	.	.	H	α-helix	trans	-62.5	-39.7	178.1	177	73.4	0	0	0	113	T388 V392 K394	T388-D390 VanDerWaalsContact C-N 3.25Å; T388-D390 PolarHBondContact O-N 3.3Å; D390-V392 VanDerWaalsContact C-N 3.35Å; D390-K394 VanDerWaalsContact CG-NZ 3.26Å; D390-K394 WeakPolarHBondContact O-CB 3.48Å; D390-K394 WeakPolarHBondContact O-CG 3.19Å; D390-K394 PolarHBondContact O-N 3.49Å; D390-K394 WeakPolarHBondContact OD1-CE 3.29Å; D390-K394 IonicContact OD1-NZ 3.12Å; D390-K394 PolarHBondContact OD1-NZ 2.9Å; D390-K394 WeakPolarHBondContact OD2-CD 3.5Å; D390-K394 WeakPolarHBondContact OD2-CE 3.48Å; D390-K394 IonicContact OD2-NZ 2.85Å; D390-K394 PolarHBondContact OD2-NZ 2.92Å
391	K	94	Very high	94.1	Very high	92 Å²	92	38.4 Å²	38.4	40%	0.4	21%	0.206	S	C	.	.	H	α-helix	trans	-63.7	-41.6	175.4	-78	173.7	-176.5	175.5	0	111.3	F374 D386 T388 H389 L395	F374-K391 HydrophobicContact CE2-CB 3.98Å; F374-K391 HydrophobicContact CZ-CB 4.22Å; D386-K391 PolarHBondContact O-NZ 3.42Å; D386-K391 VanDerWaalsContact O-NZ 3.16Å; T388-K391 HydrophobicContact CG2-CD 4.47Å; T388-K391 PolarHBondContact O-N 3.49Å; T388-K391 VanDerWaalsContact O-N 3.12Å; T388-K391 WeakPolarHBondContact OG1-CB 3.45Å; T388-K391 WeakPolarHBondContact OG1-CD 3.34Å; T388-K391 WeakPolarHBondContact OG1-CG 3.48Å; T388-K391 PolarHBondContact OG1-N 3.3Å; H389-K391 PolarHBondContact O-N 3.38Å; K391-L395 VanDerWaalsContact O-CB 3.24Å; K391-L395 WeakPolarHBondContact O-CB 3.28Å; K391-L395 PolarHBondContact O-N 2.97Å
392	V	94.9	Very high	94.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.1	-55.8	178	-176.2	0	0	0	0	109.7	F366 F374 Y387 T388 H389 D390 K394 L395 L396	F366-V392 HydrophobicContact CB-CG1 4.46Å; F366-V392 HydrophobicContact CD1-CG1 4.16Å; F366-V392 HydrophobicContact CD2-CB 4.42Å; F366-V392 HydrophobicContact CD2-CG1 3.59Å; F366-V392 HydrophobicContact CE1-CG1 4.17Å; F366-V392 HydrophobicContact CE2-CB 3.9Å; F366-V392 HydrophobicContact CE2-CG1 3.57Å; F366-V392 HydrophobicContact CE2-CG2 4.23Å; F366-V392 HydrophobicContact CG-CG1 3.83Å; F366-V392 HydrophobicContact CZ-CB 3.93Å; F366-V392 HydrophobicContact CZ-CG1 3.82Å; F374-V392 HydrophobicContact CB-CG1 4.3Å; F374-V392 HydrophobicContact CD1-CG2 3.78Å; F374-V392 HydrophobicContact CD2-CB 4.03Å; F374-V392 HydrophobicContact CD2-CG1 4.22Å; F374-V392 HydrophobicContact CD2-CG2 3.77Å; F374-V392 HydrophobicContact CE1-CG2 3.7Å; F374-V392 HydrophobicContact CE2-CB 4.19Å; F374-V392 HydrophobicContact CE2-CG2 3.68Å; F374-V392 HydrophobicContact CG-CB 4.32Å; F374-V392 HydrophobicContact CG-CG1 4.17Å; F374-V392 HydrophobicContact CG-CG2 3.82Å; F374-V392 HydrophobicContact CZ-CG2 3.64Å; Y387-V392 HydrophobicContact CD2-CG2 4.27Å; Y387-V392 HydrophobicContact CE2-CG2 3.51Å; T388-V392 PolarHBondContact O-N 3.33Å; H389-V392 PolarHBondContact O-N 3.34Å; D390-V392 VanDerWaalsContact C-N 3.35Å; V392-K394 PolarHBondContact O-N 3.29Å; V392-L395 PolarHBondContact O-N 3.36Å; V392-L396 HydrophobicContact CG1-CD1 3.61Å; V392-L396 HydrophobicContact CG1-CG 4.12Å; V392-L396 VanDerWaalsContact O-CG 3.29Å; V392-L396 WeakPolarHBondContact O-CG 3.42Å; V392-L396 PolarHBondContact O-N 3.4Å
393	L	95.6	Very high	94.9	Very high	12 Å²	12	40.1 Å²	40.1	6%	0.063	22%	0.217	C	C	.	.	H	α-helix	trans	-57.2	-49.2	-177.4	-173.5	153.3	0	0	0	112.1	H389 L395 N397 L576 E577 T578	H389-L393 PolarHBondContact O-N 3.16Å; L393-L395 PolarHBondContact O-N 3.25Å; L393-N397 VanDerWaalsContact CD2-ND2 3.33Å; L393-N397 WeakPolarHBondContact CD2-ND2 3.16Å; L393-N397 VanDerWaalsContact O-CB 3.29Å; L393-N397 WeakPolarHBondContact O-CB 3.27Å; L393-N397 PolarHBondContact O-N 3.43Å; L393-L576 HydrophobicContact CD1-CB 4.39Å; L393-L576 HydrophobicContact CG-CB 4.12Å; L393-E577 WeakPolarHBondContact CD1-O 3.37Å; L393-T578 HydrophobicContact CD1-CG2 4.1Å
394	K	96.4	Very high	95.3	Very high	122 Å²	122	36.6 Å²	36.6	53%	0.53	20%	0.195	S	C	.	.	H	α-helix	trans	-61.3	-45	-179.5	-76.3	174.2	176.7	161.8	0	112	D390 V392 A398	D390-K394 VanDerWaalsContact CG-NZ 3.26Å; D390-K394 WeakPolarHBondContact O-CB 3.48Å; D390-K394 WeakPolarHBondContact O-CG 3.19Å; D390-K394 PolarHBondContact O-N 3.49Å; D390-K394 WeakPolarHBondContact OD1-CE 3.29Å; D390-K394 IonicContact OD1-NZ 3.12Å; D390-K394 PolarHBondContact OD1-NZ 2.9Å; D390-K394 WeakPolarHBondContact OD2-CD 3.5Å; D390-K394 WeakPolarHBondContact OD2-CE 3.48Å; D390-K394 IonicContact OD2-NZ 2.85Å; D390-K394 PolarHBondContact OD2-NZ 2.92Å; V392-K394 PolarHBondContact O-N 3.29Å; K394-A398 WeakPolarHBondContact O-CB 3.32Å; K394-A398 PolarHBondContact O-N 2.9Å
395	L	97.6	Very high	95.6	Very high	19 Å²	19	33.5 Å²	33.5	10%	0.099	18%	0.179	C	C	.	.	H	α-helix	trans	-66.4	-49.1	-178.4	-175.7	70.6	0	0	0	111.7	Y373 F374 R377 Q378 K391 V392 L393 A398 E399	Y373-L395 HydrophobicContact CE1-CG 4.47Å; F374-L395 HydrophobicContact CD2-CB 4.44Å; F374-L395 HydrophobicContact CD2-CD2 3.63Å; F374-L395 HydrophobicContact CE2-CD2 4.25Å; R377-L395 HydrophobicContact CB-CD2 4.19Å; R377-L395 HydrophobicContact CG-CD1 4.31Å; R377-L395 HydrophobicContact CG-CD2 3.78Å; R377-L395 HydrophobicContact CG-CG 4.49Å; Q378-L395 HydrophobicContact CG-CD2 3.62Å; K391-L395 VanDerWaalsContact O-CB 3.24Å; K391-L395 WeakPolarHBondContact O-CB 3.28Å; K391-L395 PolarHBondContact O-N 2.97Å; V392-L395 PolarHBondContact O-N 3.36Å; L393-L395 PolarHBondContact O-N 3.25Å; L395-A398 PolarHBondContact O-N 3.33Å; L395-E399 HydrophobicContact CD1-CG 4.12Å; L395-E399 PolarHBondContact O-N 3.04Å
396	L	98	Very high	95.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.8	-41.7	-177.4	-61.2	-176.3	0	0	0	111.6	F366 G370 Y373 F374 V392 L400 A401 F573 L576	F366-L396 HydrophobicContact CB-CD1 4.02Å; F366-L396 HydrophobicContact CG-CD1 4.46Å; G370-L396 VanDerWaalsContact O-CD2 3.24Å; G370-L396 WeakPolarHBondContact O-CD2 3.41Å; Y373-L396 HydrophobicContact CD1-CD2 3.81Å; Y373-L396 HydrophobicContact CG-CD2 4.4Å; F374-L396 HydrophobicContact CB-CD2 4.31Å; V392-L396 HydrophobicContact CG1-CD1 3.61Å; V392-L396 HydrophobicContact CG1-CG 4.12Å; V392-L396 VanDerWaalsContact O-CG 3.29Å; V392-L396 WeakPolarHBondContact O-CG 3.42Å; V392-L396 PolarHBondContact O-N 3.4Å; L396-L400 HydrophobicContact CD2-CD1 3.69Å; L396-L400 HydrophobicContact CD2-CG 4.41Å; L396-L400 WeakPolarHBondContact O-CA 3.48Å; L396-L400 VanDerWaalsContact O-CB 3.3Å; L396-L400 WeakPolarHBondContact O-CB 3.12Å; L396-L400 PolarHBondContact O-N 3.39Å; L396-A401 PolarHBondContact O-N 2.68Å; L396-A401 VanDerWaalsContact O-N 3.14Å; L396-F573 HydrophobicContact CB-CE1 3.99Å; L396-F573 HydrophobicContact CB-CZ 3.96Å; L396-F573 HydrophobicContact CD1-CZ 4.06Å; L396-L576 HydrophobicContact CB-CD1 3.98Å; L396-L576 HydrophobicContact CD1-CD1 3.87Å
397	N	97.9	Very high	96.1	Very high	8 Å²	8	31.5 Å²	31.5	4%	0.043	17%	0.172	C	C	.	.	I	π-helix	trans	-62.8	-47.4	174.3	-76.5	-16.3	0	0	0	111.8	L393 A401 D402 R575 L576	L393-N397 VanDerWaalsContact CD2-ND2 3.33Å; L393-N397 WeakPolarHBondContact CD2-ND2 3.16Å; L393-N397 VanDerWaalsContact O-CB 3.29Å; L393-N397 WeakPolarHBondContact O-CB 3.27Å; L393-N397 PolarHBondContact O-N 3.43Å; N397-A401 WeakPolarHBondContact O-CB 3.41Å; N397-A401 PolarHBondContact O-N 2.9Å; N397-D402 VanDerWaalsContact O-CB 3.31Å; N397-D402 WeakPolarHBondContact O-CB 3.37Å; N397-D402 PolarHBondContact O-N 3.33Å; N397-R575 HydrophobicContact CB-CG 4.34Å; N397-R575 WeakPolarHBondContact OD1-CA 3.33Å; N397-R575 WeakPolarHBondContact OD1-CG 3.35Å; N397-L576 PolarHBondContact ND2-O 3.37Å; N397-L576 PolarHBondContact OD1-N 2.9Å
398	A	98.2	Very high	96.4	Very high	46 Å²	46	31.1 Å²	31.1	38%	0.38	17%	0.17	S	C	.	.	I	π-helix	trans	-66.7	-47.5	-176.7	0	0	0	0	0	112.8	K394 L395 S403	K394-A398 WeakPolarHBondContact O-CB 3.32Å; K394-A398 PolarHBondContact O-N 2.9Å; L395-A398 PolarHBondContact O-N 3.33Å; A398-S403 VanDerWaalsContact O-CB 3.26Å; A398-S403 WeakPolarHBondContact O-CB 3.2Å; A398-S403 PolarHBondContact O-N 3.43Å; A398-S403 VanDerWaalsContact O-N 3.11Å; A398-S403 PolarHBondContact O-OG 3.29Å
399	E	98.5	Very high	96.6	Very high	20 Å²	20	31.1 Å²	31.1	9%	0.093	17%	0.169	C	C	.	.	I	π-helix	trans	-90	-44.5	-172.1	-64.4	-163.7	152	0	0	112.7	Y373 R377 L395 L404 S473	Y373-E399 HydrophobicContact CE1-CB 4.11Å; Y373-E399 VanDerWaalsContact CE1-OE2 3.24Å; Y373-E399 WeakPolarHBondContact CE1-OE2 3.4Å; Y373-E399 VanDerWaalsContact CZ-OE2 3.29Å; Y373-E399 PolarHBondContact OH-OE2 3.21Å; R377-E399 IonicContact CZ-OE1 3.11Å; R377-E399 IonicContact NE-OE1 3.27Å; R377-E399 IonicContact NE-OE2 2.63Å; R377-E399 PolarHBondContact NE-OE2 2.92Å; R377-E399 VanDerWaalsContact NE-OE2 3.11Å; R377-E399 IonicContact NH2-OE1 3.55Å; R377-E399 PolarHBondContact NH2-OE1 2.92Å; R377-E399 VanDerWaalsContact NH2-OE1 3.17Å; L395-E399 HydrophobicContact CD1-CG 4.12Å; L395-E399 PolarHBondContact O-N 3.04Å; E399-L404 WeakPolarHBondContact O-CB 3.33Å; E399-L404 PolarHBondContact O-N 2.9Å; E399-S473 VanDerWaalsContact CD-OG 3.25Å; E399-S473 PolarHBondContact OE1-OG 3.25Å
400	L	98.4	Very high	96.8	Very high	2 Å²	2	31 Å²	31	1%	0.01	17%	0.166	C	C	.	.	I	π-helix	trans	-87.3	-49.9	-175.9	-58	-178.8	0	0	0	112.9	Y373 L396 G405 I527 F573	Y373-L400 HydrophobicContact CD1-CD1 4.16Å; Y373-L400 HydrophobicContact CD1-CD2 4.2Å; Y373-L400 HydrophobicContact CD1-CG 4.14Å; Y373-L400 HydrophobicContact CD2-CD2 3.81Å; Y373-L400 HydrophobicContact CE1-CD2 4.22Å; Y373-L400 HydrophobicContact CE1-CG 4.34Å; Y373-L400 HydrophobicContact CE2-CD2 3.83Å; Y373-L400 HydrophobicContact CG-CD1 4.01Å; Y373-L400 HydrophobicContact CG-CD2 4Å; Y373-L400 HydrophobicContact CG-CG 4.25Å; L396-L400 HydrophobicContact CD2-CD1 3.69Å; L396-L400 HydrophobicContact CD2-CG 4.41Å; L396-L400 WeakPolarHBondContact O-CA 3.48Å; L396-L400 VanDerWaalsContact O-CB 3.3Å; L396-L400 WeakPolarHBondContact O-CB 3.12Å; L396-L400 PolarHBondContact O-N 3.39Å; L400-G405 PolarHBondContact O-N 3.38Å; L400-I527 HydrophobicContact CD1-CD1 3.84Å; L400-F573 HydrophobicContact CB-CB 4.05Å; L400-F573 HydrophobicContact CB-CD1 4.06Å; L400-F573 HydrophobicContact CB-CD2 4.25Å; L400-F573 HydrophobicContact CB-CG 3.85Å; L400-F573 HydrophobicContact CD1-CD2 3.97Å; L400-F573 HydrophobicContact CD1-CE2 3.98Å; L400-F573 HydrophobicContact CD1-CG 4.4Å; L400-F573 HydrophobicContact CD1-CZ 4.42Å
401	A	97.5	Very high	96.9	Very high	12 Å²	12	27.5 Å²	27.5	10%	0.099	15%	0.147	C	C	.	.	I	π-helix	trans	-74.4	-58.9	-177.3	0	0	0	0	0	111.4	L396 N397 G405 G406 F573 R575	L396-A401 PolarHBondContact O-N 2.68Å; L396-A401 VanDerWaalsContact O-N 3.14Å; N397-A401 WeakPolarHBondContact O-CB 3.41Å; N397-A401 PolarHBondContact O-N 2.9Å; A401-G405 CarbonylContact O-C 3.48Å; A401-G405 WeakPolarHBondContact O-CA 3.22Å; A401-G405 PolarHBondContact O-N 3.45Å; A401-G406 PolarHBondContact O-N 3.48Å; A401-F573 HydrophobicContact CB-CD1 4Å; A401-R575 HydrophobicContact CB-CB 4.42Å
402	D	97.6	Very high	97	Very high	74 Å²	74	23.2 Å²	23.2	40%	0.396	13%	0.129	S	C	.	.	I	π-helix	trans	-79.2	-50.8	-167.9	-66.4	-13.4	0	0	0	111.4	N397 G406 R575	N397-D402 VanDerWaalsContact O-CB 3.31Å; N397-D402 WeakPolarHBondContact O-CB 3.37Å; N397-D402 PolarHBondContact O-N 3.33Å; D402-G406 WeakPolarHBondContact O-CA 3.31Å; D402-G406 PolarHBondContact O-N 3.44Å; D402-R575 IonicContact OD1-CZ 3.86Å; D402-R575 IonicContact OD1-NH1 2.79Å; D402-R575 PolarHBondContact OD1-NH1 2.82Å; D402-R575 IonicContact OD2-CZ 3.16Å; D402-R575 IonicContact OD2-NH1 2.67Å; D402-R575 PolarHBondContact OD2-NH1 3.43Å; D402-R575 IonicContact OD2-NH2 3.46Å
403	S	98.3	Very high	97	Very high	29 Å²	29	24.8 Å²	24.8	20%	0.203	14%	0.141	C	C	.	.	I	π-helix	trans	-78.6	-58	-174.1	-60.4	0	0	0	0	112.8	A398 L407 N480	A398-S403 VanDerWaalsContact O-CB 3.26Å; A398-S403 WeakPolarHBondContact O-CB 3.2Å; A398-S403 PolarHBondContact O-N 3.43Å; A398-S403 VanDerWaalsContact O-N 3.11Å; A398-S403 PolarHBondContact O-OG 3.29Å; S403-L407 WeakPolarHBondContact O-CB 3.15Å; S403-L407 PolarHBondContact O-N 3.05Å; S403-N480 PolarHBondContact O-ND2 2.9Å
404	L	98.7	Very high	96.9	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.026	17%	0.166	C	C	.	.	I	π-helix	trans	-77.5	-54	-177.4	-175.7	64.5	0	0	0	111.7	E399 L407 L408 V476 L513 Y516 L520 L531 L572	E399-L404 WeakPolarHBondContact O-CB 3.33Å; E399-L404 PolarHBondContact O-N 2.9Å; L404-L407 PolarHBondContact O-N 3.12Å; L404-L408 PolarHBondContact O-N 3.32Å; L404-V476 HydrophobicContact CB-CG1 4.45Å; L404-V476 HydrophobicContact CD1-CG2 4.03Å; L404-L513 HydrophobicContact CD1-CD2 3.84Å; L404-Y516 HydrophobicContact CD1-CD2 4.47Å; L404-L520 HydrophobicContact CD2-CD1 3.83Å; L404-L531 HydrophobicContact CD1-CD1 3.94Å; L404-L531 HydrophobicContact CD2-CD1 4.13Å; L404-L531 HydrophobicContact CG-CD1 4.16Å; L404-L572 HydrophobicContact CB-CD2 4.5Å; L404-L572 HydrophobicContact CD2-CD2 3.83Å; L404-L572 HydrophobicContact CG-CD2 3.73Å
405	G	97.9	Very high	96.7	Very high	2 Å²	2	27.5 Å²	27.5	2%	0.021	18%	0.181	C	C	.	.	I	π-helix	trans	-62.7	-44	179.6	0	0	0	0	0	112.8	L400 A401 L407 L408 N409	L400-G405 PolarHBondContact O-N 3.38Å; A401-G405 CarbonylContact O-C 3.48Å; A401-G405 WeakPolarHBondContact O-CA 3.22Å; A401-G405 PolarHBondContact O-N 3.45Å; G405-L407 VanDerWaalsContact C-N 3.34Å; G405-L407 PolarHBondContact O-N 3.28Å; G405-L408 PolarHBondContact O-N 2.67Å; G405-N409 WeakPolarHBondContact O-CB 3.28Å; G405-N409 PolarHBondContact O-N 3.45Å; G405-N409 PolarHBondContact O-ND2 2.95Å
406	G	97.1	Very high	96.4	Very high	21 Å²	21	27.3 Å²	27.3	22%	0.216	18%	0.18	C	C	.	.	H	α-helix	trans	-64.9	-32.9	175.9	0	0	0	0	0	113.8	A401 D402 R410	A401-G406 PolarHBondContact O-N 3.48Å; D402-G406 WeakPolarHBondContact O-CA 3.31Å; D402-G406 PolarHBondContact O-N 3.44Å; G406-R410 WeakPolarHBondContact O-CG 3.34Å; G406-R410 PolarHBondContact O-N 2.8Å; G406-R410 PolarHBondContact O-NE 2.89Å; G406-R410 VanDerWaalsContact O-NE 3.12Å
407	L	98.1	Very high	96.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.4	-51.2	172.1	-177.7	62.5	0	0	0	111.3	S403 L404 G405 N409 R410 C411 T479 I483 T509 L513	S403-L407 WeakPolarHBondContact O-CB 3.15Å; S403-L407 PolarHBondContact O-N 3.05Å; L404-L407 PolarHBondContact O-N 3.12Å; G405-L407 VanDerWaalsContact C-N 3.34Å; G405-L407 PolarHBondContact O-N 3.28Å; L407-N409 VanDerWaalsContact C-N 3.33Å; L407-N409 PolarHBondContact O-N 2.81Å; L407-R410 PolarHBondContact O-N 3.22Å; L407-C411 PolarHBondContact O-N 3.37Å; L407-C411 PolarHBondContact O-SG 3.4Å; L407-C411 VanDerWaalsContact O-SG 3.34Å; L407-T479 HydrophobicContact CD1-CG2 4.2Å; L407-T479 HydrophobicContact CD2-CG2 3.68Å; L407-I483 HydrophobicContact CD1-CG1 3.85Å; L407-T509 HydrophobicContact CD1-CG2 3.69Å; L407-T509 HydrophobicContact CD2-CG2 4.42Å; L407-T509 HydrophobicContact CG-CG2 4.01Å; L407-L513 HydrophobicContact CD2-CD2 3.94Å; L407-L513 HydrophobicContact CD2-CG 4.24Å; L407-L513 HydrophobicContact CG-CD1 4.35Å; L407-L513 HydrophobicContact CG-CD2 4.18Å; L407-L513 HydrophobicContact CG-CG 4.42Å
408	L	97.8	Very high	96.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-57.2	-45.4	177.9	179.9	63.9	0	0	0	111.9	L404 G405 R410 C411 T412 L513 L531 R534 L535 L572	L404-L408 PolarHBondContact O-N 3.32Å; G405-L408 PolarHBondContact O-N 2.67Å; L408-R410 VanDerWaalsContact C-N 3.35Å; L408-R410 PolarHBondContact O-N 3.19Å; L408-C411 PolarHBondContact O-SG 2.94Å; L408-T412 HydrophobicContact CD1-CG2 3.99Å; L408-T412 WeakPolarHBondContact O-CB 3.45Å; L408-T412 WeakPolarHBondContact O-CG2 3.29Å; L408-T412 PolarHBondContact O-N 2.85Å; L408-T412 VanDerWaalsContact O-N 3.16Å; L408-T412 PolarHBondContact O-OG1 3.18Å; L408-L513 HydrophobicContact CB-CD1 4.27Å; L408-L513 HydrophobicContact CB-CD2 4.37Å; L408-L513 HydrophobicContact CD1-CD1 3.95Å; L408-L531 HydrophobicContact CD2-CB 4.49Å; L408-L531 HydrophobicContact CD2-CG 4.14Å; L408-R534 HydrophobicContact CD1-CG 4.38Å; L408-L535 HydrophobicContact CD1-CD2 3.86Å; L408-L535 HydrophobicContact CD1-CG 4.38Å; L408-L572 HydrophobicContact CD2-CB 4.2Å; L408-L572 HydrophobicContact CD2-CD1 4.27Å; L408-L572 HydrophobicContact CD2-CD2 4.15Å; L408-L572 HydrophobicContact CD2-CG 4.44Å
409	N	95.5	Very high	95.9	Very high	48 Å²	48	31.6 Å²	31.6	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-61.5	-41.2	179.3	-78.7	-24.4	0	0	0	112.3	G405 L407 A413 R534 L571	G405-N409 WeakPolarHBondContact O-CB 3.28Å; G405-N409 PolarHBondContact O-N 3.45Å; G405-N409 PolarHBondContact O-ND2 2.95Å; L407-N409 VanDerWaalsContact C-N 3.33Å; L407-N409 PolarHBondContact O-N 2.81Å; N409-A413 WeakPolarHBondContact O-CB 3.35Å; N409-A413 PolarHBondContact O-N 2.82Å; N409-R534 PolarHBondContact OD1-NH1 2.85Å; N409-R534 PolarHBondContact OD1-NH2 3.47Å; N409-L571 WeakPolarHBondContact ND2-CD2 3.47Å
410	R	94.3	Very high	95.7	Very high	63 Å²	63	33.1 Å²	33.1	24%	0.238	22%	0.217	C	C	.	.	H	α-helix	trans	-68.5	-45.1	-179	-76.9	-179.7	-65.1	157.3	5.1	112.7	G406 L407 L408 T412 A413 L416 N480	G406-R410 WeakPolarHBondContact O-CG 3.34Å; G406-R410 PolarHBondContact O-N 2.8Å; G406-R410 PolarHBondContact O-NE 2.89Å; G406-R410 VanDerWaalsContact O-NE 3.12Å; L407-R410 PolarHBondContact O-N 3.22Å; L408-R410 VanDerWaalsContact C-N 3.35Å; L408-R410 PolarHBondContact O-N 3.19Å; R410-T412 VanDerWaalsContact C-N 3.32Å; R410-T412 PolarHBondContact O-N 3.32Å; R410-A413 PolarHBondContact O-N 2.65Å; R410-L416 WeakPolarHBondContact O-CD2 3.48Å; R410-N480 PolarHBondContact NH2-OD1 3.08Å
411	C	93.5	Very high	95.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.007	23%	0.227	C	C	.	.	H	α-helix	trans	-76.6	-18.6	-176.6	64.5	0	0	0	0	113.9	L407 L408 T509 L510 L513	L407-C411 PolarHBondContact O-N 3.37Å; L407-C411 PolarHBondContact O-SG 3.4Å; L407-C411 VanDerWaalsContact O-SG 3.34Å; L408-C411 PolarHBondContact O-SG 2.94Å; C411-T509 HydrophobicContact CB-CG2 3.84Å; C411-L510 HydrophobicContact CB-CD2 4.24Å; C411-L513 WeakPolarHBondContact SG-CD1 3.01Å
412	T	95.5	Very high	95.5	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-103	-0.4	175.1	62	0	0	0	0	113.1	L408 R410 Q420 L510 R534 L565	L408-T412 HydrophobicContact CD1-CG2 3.99Å; L408-T412 WeakPolarHBondContact O-CB 3.45Å; L408-T412 WeakPolarHBondContact O-CG2 3.29Å; L408-T412 PolarHBondContact O-N 2.85Å; L408-T412 VanDerWaalsContact O-N 3.16Å; L408-T412 PolarHBondContact O-OG1 3.18Å; R410-T412 VanDerWaalsContact C-N 3.32Å; R410-T412 PolarHBondContact O-N 3.32Å; T412-Q420 PolarHBondContact O-NE2 3.32Å; T412-Q420 PolarHBondContact O-OE1 3.42Å; T412-L510 HydrophobicContact CG2-CD2 4.04Å; T412-R534 VanDerWaalsContact OG1-CZ 3.24Å; T412-R534 PolarHBondContact OG1-NE 3.04Å; T412-R534 VanDerWaalsContact OG1-NE 3.16Å; T412-R534 PolarHBondContact OG1-NH2 3.16Å; T412-L565 HydrophobicContact CG2-CD1 3.85Å
413	A	94.1	Very high	95.4	Very high	32 Å²	32	31.1 Å²	31.1	26%	0.264	21%	0.206	S	C	.	.			trans	-63.1	133.8	176.8	0	0	0	0	0	110.5	N409 R410 A415 L416 N417	N409-A413 WeakPolarHBondContact O-CB 3.35Å; N409-A413 PolarHBondContact O-N 2.82Å; R410-A413 PolarHBondContact O-N 2.65Å; A413-A415 PolarHBondContact O-N 3.01Å; A413-A415 VanDerWaalsContact O-N 3.08Å; A413-L416 PolarHBondContact O-N 3.43Å; A413-N417 PolarHBondContact O-N 2.93Å
414	P	93.6	Very high	95.2	Very high	88 Å²	88	32 Å²	32	57%	0.571	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.7	177.3	-28.2	35.4	0	0	0	114.1	L416 N417 P418	P414-L416 VanDerWaalsContact C-N 3.27Å; P414-L416 PolarHBondContact O-N 2.76Å; P414-N417 CarbonylContact O-C 3.56Å; P414-P418 WeakPolarHBondContact O-CA 3.27Å; P414-P418 WeakPolarHBondContact O-CB 3.42Å; P414-P418 WeakPolarHBondContact O-CD 3.08Å; P414-P418 VanDerWaalsContact O-N 3.1Å
415	A	92.5	Very high	95.1	Very high	103 Å²	103	32.4 Å²	32.4	85%	0.851	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-32.7	174.9	0	0	0	0	0	113.1	A413	A413-A415 PolarHBondContact O-N 3.01Å; A413-A415 VanDerWaalsContact O-N 3.08Å
416	L	92.6	Very high	94.8	Very high	16 Å²	16	33.2 Å²	33.2	8%	0.084	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-39	-179.4	-154.1	68.4	0	0	0	112	R410 A413 P414 P418 P488 R493 L502 I506	R410-L416 WeakPolarHBondContact O-CD2 3.48Å; A413-L416 PolarHBondContact O-N 3.43Å; P414-L416 VanDerWaalsContact C-N 3.27Å; P414-L416 PolarHBondContact O-N 2.76Å; L416-P418 WeakPolarHBondContact O-CD 3.31Å; L416-P488 HydrophobicContact CD1-CB 3.97Å; L416-P488 HydrophobicContact CD1-CG 4.25Å; L416-P488 HydrophobicContact CD2-CB 4.32Å; L416-P488 HydrophobicContact CD2-CG 4.02Å; L416-R493 PolarHBondContact O-NH2 3.4Å; L416-L502 HydrophobicContact CD1-CD1 3.79Å; L416-L502 HydrophobicContact CG-CD1 4.03Å; L416-I506 HydrophobicContact CD2-CG1 4.24Å; L416-I506 HydrophobicContact CG-CD1 4.06Å; L416-I506 HydrophobicContact CG-CG1 4.33Å; L416-I506 VanDerWaalsContact O-CD1 3.29Å; L416-I506 WeakPolarHBondContact O-CD1 3.4Å
417	N	94.8	Very high	94.5	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.011	23%	0.23	C	C	.	.			trans	-124.9	72.5	-179.6	-171.6	-0.4	0	0	0	110.9	A413 P414 A419 Q420 V421 I506	A413-N417 PolarHBondContact O-N 2.93Å; P414-N417 CarbonylContact O-C 3.56Å; N417-A419 VanDerWaalsContact C-N 3.26Å; N417-A419 PolarHBondContact O-N 2.91Å; N417-Q420 PolarHBondContact O-N 3.21Å; N417-Q420 VanDerWaalsContact O-N 3.1Å; N417-Q420 PolarHBondContact O-NE2 3.1Å; N417-Q420 PolarHBondContact OD1-N 2.83Å; N417-V421 PolarHBondContact ND2-O 3.41Å; N417-V421 PolarHBondContact OD1-O 2.93Å; N417-I506 HydrophobicContact CB-CD1 4.32Å
418	P	93.7	Very high	94.1	Very high	76 Å²	76	43 Å²	43	49%	0.494	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-30	-174	23.8	-34	0	0	0	113.4	P414 L416 Q420	P414-P418 WeakPolarHBondContact O-CA 3.27Å; P414-P418 WeakPolarHBondContact O-CB 3.42Å; P414-P418 WeakPolarHBondContact O-CD 3.08Å; P414-P418 VanDerWaalsContact O-N 3.1Å; L416-P418 WeakPolarHBondContact O-CD 3.31Å; P418-Q420 PolarHBondContact O-N 3.34Å
419	A	93.4	Very high	93.8	Very high	65 Å²	65	43.5 Å²	43.5	54%	0.537	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-15.2	178.2	0	0	0	0	0	112.9	N417 V421	N417-A419 VanDerWaalsContact C-N 3.26Å; N417-A419 PolarHBondContact O-N 2.91Å; A419-V421 HydrophobicContact CB-CG1 4.36Å; A419-V421 HydrophobicContact CB-CG2 3.84Å; A419-V421 WeakPolarHBondContact O-CG1 3.21Å; A419-V421 PolarHBondContact O-N 3.02Å
420	Q	95.6	Very high	93.8	Very high	53 Å²	53	41.2 Å²	41.2	25%	0.248	26%	0.259	C	S	.	.			trans	51.3	45.2	-175.5	-63.5	-68.4	-68.2	0	0	111.9	T412 N417 P418 L565	T412-Q420 PolarHBondContact O-NE2 3.32Å; T412-Q420 PolarHBondContact O-OE1 3.42Å; N417-Q420 PolarHBondContact O-N 3.21Å; N417-Q420 VanDerWaalsContact O-N 3.1Å; N417-Q420 PolarHBondContact O-NE2 3.1Å; N417-Q420 PolarHBondContact OD1-N 2.83Å; P418-Q420 PolarHBondContact O-N 3.34Å; Q420-L565 WeakPolarHBondContact O-CB 3.4Å; Q420-L565 WeakPolarHBondContact O-CG 3.2Å; Q420-L565 PolarHBondContact O-N 2.91Å
421	V	96.2	Very high	93.8	Very high	38 Å²	38	39.2 Å²	39.2	23%	0.23	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-126.2	168.1	176.7	-58.2	0	0	0	0	110.5	N417 A419 P423 R563	N417-V421 PolarHBondContact ND2-O 3.41Å; N417-V421 PolarHBondContact OD1-O 2.93Å; A419-V421 HydrophobicContact CB-CG1 4.36Å; A419-V421 HydrophobicContact CB-CG2 3.84Å; A419-V421 WeakPolarHBondContact O-CG1 3.21Å; A419-V421 PolarHBondContact O-N 3.02Å; V421-P423 VanDerWaalsContact O-CD 3.25Å; V421-P423 WeakPolarHBondContact O-CD 3.3Å; V421-R563 CarbonylContact C-O 3.51Å; V421-R563 WeakPolarHBondContact CA-O 3.47Å; V421-R563 WeakPolarHBondContact CB-O 3.33Å
422	Y	95.4	Very high	93.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	28%	0.28	C	S	.	.			trans	-71.8	110.6	159.7	-92.7	-107.9	0	0	0	109.4	L510 L535 F560 G562 R563 L565	Y422-L510 HydrophobicContact CD1-CB 4.14Å; Y422-L510 HydrophobicContact CD1-CD1 4.13Å; Y422-L510 HydrophobicContact CD2-CD1 4.13Å; Y422-L510 HydrophobicContact CE1-CB 3.58Å; Y422-L510 HydrophobicContact CE1-CD1 4.29Å; Y422-L510 HydrophobicContact CE2-CB 4.41Å; Y422-L510 HydrophobicContact CE2-CD1 4.22Å; Y422-L510 HydrophobicContact CG-CD1 4.06Å; Y422-L535 HydrophobicContact CE2-CB 4.36Å; Y422-L535 WeakPolarHBondContact CE2-O 3.44Å; Y422-F560 WeakPolarHBondContact CB-O 3.08Å; Y422-F560 HydrophobicContact CD1-CB 3.56Å; Y422-F560 HydrophobicContact CD1-CG 4.49Å; Y422-F560 HydrophobicContact CD2-CB 4.37Å; Y422-F560 HydrophobicContact CE1-CB 3.78Å; Y422-F560 HydrophobicContact CE1-CG 4.26Å; Y422-F560 HydrophobicContact CG-CB 3.86Å; Y422-G562 WeakPolarHBondContact O-CA 3.33Å; Y422-G562 PolarHBondContact O-N 3.29Å; Y422-R563 PolarHBondContact N-O 2.69Å; Y422-L565 HydrophobicContact CD2-CD2 3.63Å; Y422-L565 HydrophobicContact CE2-CD2 3.61Å
423	P	95.6	Very high	93.4	Very high	8 Å²	8	50.6 Å²	50.6	5%	0.052	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-74.9	167.7	-177.7	31.4	-33.1	0	0	0	111.9	V421 D503 I506 H507	V421-P423 VanDerWaalsContact O-CD 3.25Å; V421-P423 WeakPolarHBondContact O-CD 3.3Å; P423-D503 HydrophobicContact CB-CB 3.77Å; P423-D503 HydrophobicContact CG-CB 4.39Å; P423-D503 WeakPolarHBondContact CG-O 3.34Å; P423-I506 HydrophobicContact CG-CB 3.73Å; P423-I506 HydrophobicContact CG-CG2 3.61Å; P423-H507 HydrophobicContact CG-CB 4.29Å; P423-H507 PolarHBondContact O-ND1 3.4Å
424	A	93.9	Very high	93.3	Very high	47 Å²	47	55.2 Å²	55.2	39%	0.388	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-69.5	135.6	-179.5	0	0	0	0	0	112.5	E561	A424-E561 WeakPolarHBondContact CA-OE1 3.35Å; A424-E561 HydrophobicContact CB-CG 4.4Å; A424-E561 WeakPolarHBondContact CB-OE1 3.31Å
425	F	95.1	Very high	93	Very high	14 Å²	14	61.1 Å²	61.1	6%	0.061	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-84.3	120.8	173	-175.5	-93.5	0	0	0	110.4	F430 T504 H507 L550 R552 Y553	F425-F430 HydrophobicContact CE2-CB 4.39Å; F425-F430 HydrophobicContact CZ-CB 3.8Å; F425-F430 HydrophobicContact CZ-CD1 4.32Å; F425-F430 HydrophobicContact CZ-CG 4.14Å; F425-T504 HydrophobicContact CD2-CG2 3.78Å; F425-T504 HydrophobicContact CE2-CG2 3.57Å; F425-T504 HydrophobicContact CZ-CG2 4.2Å; F425-H507 HydrophobicContact CB-CB 4.45Å; F425-H507 HydrophobicContact CD2-CB 4.44Å; F425-H507 AromaticContact CD2-CD2 3.65Å; F425-L550 HydrophobicContact CD2-CD1 3.96Å; F425-L550 HydrophobicContact CE2-CD1 3.85Å; F425-L550 HydrophobicContact CE2-CD2 4.43Å; F425-L550 HydrophobicContact CE2-CG 4.42Å; F425-L550 HydrophobicContact CZ-CD2 4.5Å; F425-R552 HydrophobicContact CB-CB 4.05Å; F425-R552 HydrophobicContact CB-CG 4.33Å; F425-R552 HydrophobicContact CD1-CB 3.84Å; F425-R552 HydrophobicContact CG-CB 4.2Å; F425-Y553 HydrophobicContact CE1-CD2 4.26Å; F425-Y553 HydrophobicContact CZ-CD2 4.06Å; F425-Y553 HydrophobicContact CZ-CG 4.39Å
426	C	93.1	Very high	92.8	Very high	18 Å²	18	57.7 Å²	57.7	12%	0.122	30%	0.3	C	S	.	.			trans	-96.9	99.3	178.7	-176.2	0	0	0	0	111.5	H428 S429 F430 R500 T504	C426-H428 PolarHBondContact O-N 3.45Å; C426-H428 VanDerWaalsContact O-N 3.12Å; C426-S429 WeakPolarHBondContact O-CB 3.37Å; C426-S429 PolarHBondContact O-N 2.92Å; C426-S429 PolarHBondContact SG-OG 2.9Å; C426-F430 PolarHBondContact O-N 3.48Å; C426-F430 VanDerWaalsContact O-N 3.14Å; C426-R500 HydrophobicContact CB-CB 4.19Å; C426-T504 VanDerWaalsContact CB-OG1 3.27Å; C426-T504 WeakPolarHBondContact CB-OG1 3.44Å; C426-T504 PolarHBondContact N-OG1 2.87Å; C426-T504 VanDerWaalsContact N-OG1 3.1Å
427	S	90.9	Very high	92.8	Very high	56 Å²	56	61.2 Å²	61.2	39%	0.392	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.6	175.5	-49.9	0	0	0	0	113.9	F430 P431	S427-F430 CarbonylContact O-C 3.57Å; S427-P431 WeakPolarHBondContact O-CA 3.32Å; S427-P431 WeakPolarHBondContact O-CB 2.91Å; S427-P431 VanDerWaalsContact O-N 3.09Å
428	H	89.9	Confident	92.8	Very high	171 Å²	171	61.5 Å²	61.5	79%	0.792	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-28.3	173.3	-64	88.3	0	0	0	112.5	C426	C426-H428 PolarHBondContact O-N 3.45Å; C426-H428 VanDerWaalsContact O-N 3.12Å
429	S	91.5	Very high	92.9	Very high	12 Å²	12	60.5 Å²	60.5	8%	0.084	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-30.1	175.7	-56.3	0	0	0	0	111.7	C426 R437	C426-S429 WeakPolarHBondContact O-CB 3.37Å; C426-S429 PolarHBondContact O-N 2.92Å; C426-S429 PolarHBondContact SG-OG 2.9Å; S429-R437 PolarHBondContact O-N 3.4Å; S429-R437 VanDerWaalsContact O-N 3.09Å
430	F	95.1	Very high	93	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-126.2	68.4	177.3	-156.2	-70.3	0	0	0	110.8	F425 C426 S427 A438 D442 Y443 V446 W501 T504 L508 Y553	F425-F430 HydrophobicContact CE2-CB 4.39Å; F425-F430 HydrophobicContact CZ-CB 3.8Å; F425-F430 HydrophobicContact CZ-CD1 4.32Å; F425-F430 HydrophobicContact CZ-CG 4.14Å; C426-F430 PolarHBondContact O-N 3.48Å; C426-F430 VanDerWaalsContact O-N 3.14Å; S427-F430 CarbonylContact O-C 3.57Å; F430-A438 HydrophobicContact CD1-CB 4.48Å; F430-A438 HydrophobicContact CD2-CB 3.43Å; F430-A438 VanDerWaalsContact CD2-CB 3.43Å; F430-A438 HydrophobicContact CE1-CB 4.46Å; F430-A438 HydrophobicContact CE2-CB 3.38Å; F430-A438 HydrophobicContact CG-CB 3.98Å; F430-A438 HydrophobicContact CZ-CB 3.93Å; F430-D442 HydrophobicContact CE2-CB 3.81Å; F430-D442 HydrophobicContact CZ-CB 3.89Å; F430-Y443 HydrophobicContact CD1-CD1 4.33Å; F430-Y443 AromaticContact CD1-CE1 3.72Å; F430-Y443 HydrophobicContact CD1-CE1 3.72Å; F430-Y443 AromaticContact CE1-CD1 3.5Å; F430-Y443 HydrophobicContact CE1-CD1 3.5Å; F430-Y443 AromaticContact CE1-CE1 3.33Å; F430-Y443 HydrophobicContact CE1-CE1 3.33Å; F430-Y443 HydrophobicContact CE1-CG 4.32Å; F430-Y443 HydrophobicContact CZ-CD1 4.06Å; F430-Y443 HydrophobicContact CZ-CE1 4.08Å; F430-Y443 HydrophobicContact CZ-CG 4.46Å; F430-V446 HydrophobicContact CE1-CG2 4.14Å; F430-V446 HydrophobicContact CZ-CG2 3.81Å; F430-W501 HydrophobicContact CB-CZ3 4.25Å; F430-W501 AromaticContact CD2-CH2 3.86Å; F430-W501 HydrophobicContact CD2-CH2 3.86Å; F430-W501 AromaticContact CD2-CZ3 3.89Å; F430-W501 HydrophobicContact CD2-CZ3 3.89Å; F430-W501 HydrophobicContact CE2-CH2 4.46Å; F430-T504 HydrophobicContact CB-CG2 3.97Å; F430-L508 HydrophobicContact CE2-CD2 4.03Å; F430-L508 HydrophobicContact CZ-CD2 4.47Å; F430-Y553 AromaticContact CD1-CD2 3.87Å; F430-Y553 HydrophobicContact CD1-CD2 3.87Å; F430-Y553 AromaticContact CD1-CE2 3.61Å; F430-Y553 HydrophobicContact CD1-CE2 3.61Å; F430-Y553 HydrophobicContact CE1-CD2 4.33Å; F430-Y553 AromaticContact CE1-CE2 3.86Å; F430-Y553 HydrophobicContact CE1-CE2 3.86Å
431	P	93.6	Very high	93.1	Very high	21 Å²	21	64.9 Å²	64.9	14%	0.136	32%	0.316	C	S	.	.			trans	-83.2	147.7	-174.4	35.4	-36.1	0	0	0	112	S427 D433 R434 G436 Y443	S427-P431 WeakPolarHBondContact O-CA 3.32Å; S427-P431 WeakPolarHBondContact O-CB 2.91Å; S427-P431 VanDerWaalsContact O-N 3.09Å; P431-D433 VanDerWaalsContact CB-OD1 3.28Å; P431-D433 WeakPolarHBondContact CB-OD1 3.45Å; P431-D433 WeakPolarHBondContact CG-OD1 3.49Å; P431-D433 PolarHBondContact O-N 3.4Å; P431-R434 PolarHBondContact O-N 3.35Å; P431-G436 VanDerWaalsContact CD-CA 3.48Å; P431-G436 VanDerWaalsContact CG-N 3.33Å; P431-Y443 WeakPolarHBondContact O-CE1 3.2Å; P431-Y443 PolarHBondContact O-OH 3.27Å
432	R	89.8	Confident	93.1	Very high	146 Å²	146	63 Å²	63	55%	0.551	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.2	179.5	-64.3	-173.3	-172.7	172.6	9.5	114	R434 Y553 F554	R432-R434 PolarHBondContact O-N 2.9Å; R432-Y553 HydrophobicContact CG-CD2 4.39Å; R432-Y553 HydrophobicContact CG-CE2 3.73Å; R432-Y553 PolarHBondContact NE-O 3.4Å; R432-Y553 PolarHBondContact NH2-O 3.07Å; R432-F554 PolarHBondContact NH2-O 3.42Å
433	D	90.6	Very high	93.2	Very high	96 Å²	96	63.3 Å²	63.3	51%	0.513	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	0.9	177.1	74.1	-10.5	0	0	0	113.2	P431 R435	P431-D433 VanDerWaalsContact CB-OD1 3.28Å; P431-D433 WeakPolarHBondContact CB-OD1 3.45Å; P431-D433 WeakPolarHBondContact CG-OD1 3.49Å; P431-D433 PolarHBondContact O-N 3.4Å; D433-R435 VanDerWaalsContact C-N 3.27Å; D433-R435 PolarHBondContact O-N 2.99Å; D433-R435 PolarHBondContact OD1-N 3.28Å; D433-R435 WeakPolarHBondContact OD2-CD 3.24Å; D433-R435 IonicContact OD2-NE 3.43Å
434	R	91.3	Very high	93.3	Very high	130 Å²	130	68.5 Å²	68.5	49%	0.491	33%	0.33	S	S	.	.	S	Bend	trans	64.6	24.9	174.1	-47.5	-174	177.9	-171.5	-10.5	114.8	P431 R432 E440 Y443	P431-R434 PolarHBondContact O-N 3.35Å; R432-R434 PolarHBondContact O-N 2.9Å; R434-E440 WeakPolarHBondContact CD-OE1 3.3Å; R434-E440 IonicContact CZ-OE1 3.01Å; R434-E440 IonicContact CZ-OE2 3.3Å; R434-E440 IonicContact NE-OE1 2.75Å; R434-E440 IonicContact NH1-OE1 3.74Å; R434-E440 PolarHBondContact NH1-OE1 3.39Å; R434-E440 IonicContact NH1-OE2 2.72Å; R434-E440 PolarHBondContact NH1-OE2 3.26Å; R434-Y443 HydrophobicContact CB-CE2 4.05Å; R434-Y443 HydrophobicContact CG-CD1 4.5Å; R434-Y443 HydrophobicContact CG-CD2 4.22Å; R434-Y443 HydrophobicContact CG-CE1 4.18Å; R434-Y443 HydrophobicContact CG-CE2 3.9Å
435	R	87.8	Confident	93.5	Very high	212 Å²	212	66.4 Å²	66.4	80%	0.8	31%	0.312	S	S	*	.			trans	-97.3	17.8	177.3	-58.8	-176.5	-175.5	-173.8	0.2	114.1	D433	D433-R435 VanDerWaalsContact C-N 3.27Å; D433-R435 PolarHBondContact O-N 2.99Å; D433-R435 PolarHBondContact OD1-N 3.28Å; D433-R435 WeakPolarHBondContact OD2-CD 3.24Å; D433-R435 IonicContact OD2-NE 3.43Å
436	G	88.4	Confident	93.6	Very high	30 Å²	30	65.7 Å²	65.7	31%	0.309	31%	0.309	S	S	.	.	S	Bend	trans	-99.9	-156.7	-178.4	0	0	0	0	0	114.1	P431	P431-G436 VanDerWaalsContact CD-CA 3.48Å; P431-G436 VanDerWaalsContact CG-N 3.33Å
437	R	92.8	Very high	93.8	Very high	91 Å²	91	68.3 Å²	68.3	34%	0.343	32%	0.319	S	S	.	.	S	Bend	trans	-82.6	-20.5	177.7	-68.7	-175.1	176.4	-161.2	-2.6	113.3	S429 K497 D498 W501	S429-R437 PolarHBondContact O-N 3.4Å; S429-R437 VanDerWaalsContact O-N 3.09Å; R437-K497 VanDerWaalsContact NH2-CB 3.28Å; R437-D498 IonicContact CZ-OD1 3.81Å; R437-D498 VanDerWaalsContact CZ-OD1 3.23Å; R437-D498 IonicContact NH1-OD1 3.81Å; R437-D498 PolarHBondContact NH1-OD1 3.49Å; R437-D498 IonicContact NH2-OD1 3.82Å; R437-D498 PolarHBondContact NH2-OD1 3.25Å; R437-W501 HydrophobicContact CB-CD2 3.99Å; R437-W501 HydrophobicContact CB-CE3 4.31Å; R437-W501 HydrophobicContact CB-CG 4.48Å; R437-W501 HydrophobicContact CB-CH2 4.39Å; R437-W501 HydrophobicContact CB-CZ2 4.08Å; R437-W501 HydrophobicContact CB-CZ3 4.49Å
438	A	95.2	Very high	94.1	Very high	8 Å²	8	67.2 Å²	67.2	7%	0.066	31%	0.31	C	S	.	.			trans	-70	144	178.6	0	0	0	0	0	111.8	F430 D442 Y443 W501	F430-A438 HydrophobicContact CD1-CB 4.48Å; F430-A438 HydrophobicContact CD2-CB 3.43Å; F430-A438 VanDerWaalsContact CD2-CB 3.43Å; F430-A438 HydrophobicContact CE1-CB 4.46Å; F430-A438 HydrophobicContact CE2-CB 3.38Å; F430-A438 HydrophobicContact CG-CB 3.98Å; F430-A438 HydrophobicContact CZ-CB 3.93Å; A438-D442 WeakPolarHBondContact CA-OD2 3.5Å; A438-D442 HydrophobicContact CB-CB 4.13Å; A438-Y443 HydrophobicContact CB-CE2 3.87Å; A438-W501 HydrophobicContact CB-CH2 3.97Å
439	V	95.5	Very high	94.5	Very high	55 Å²	55	59.1 Å²	59.1	33%	0.333	27%	0.273	S	S	.	.			trans	-100.1	168.5	176.9	-60.2	0	0	0	0	111.4	E441 D442 Y443	V439-E441 VanDerWaalsContact C-N 3.26Å; V439-E441 HydrophobicContact CG2-CB 4.38Å; V439-E441 VanDerWaalsContact CG2-OE2 3.29Å; V439-E441 WeakPolarHBondContact CG2-OE2 3.29Å; V439-E441 PolarHBondContact O-N 2.96Å; V439-D442 PolarHBondContact N-OD2 3.42Å; V439-D442 VanDerWaalsContact O-CB 3.28Å; V439-D442 WeakPolarHBondContact O-CB 3.37Å; V439-D442 PolarHBondContact O-N 3.4Å; V439-Y443 WeakPolarHBondContact O-CD2 2.95Å; V439-Y443 PolarHBondContact O-N 2.95Å
440	E	95.6	Very high	94.7	Very high	103 Å²	103	64.6 Å²	64.6	48%	0.481	29%	0.292	S	S	.	.	H	α-helix	trans	-51	-42.2	-178.9	-77.1	-62.3	137.3	0	0	113.7	R434 D442 Y443 H444	R434-E440 WeakPolarHBondContact CD-OE1 3.3Å; R434-E440 IonicContact CZ-OE1 3.01Å; R434-E440 IonicContact CZ-OE2 3.3Å; R434-E440 IonicContact NE-OE1 2.75Å; R434-E440 IonicContact NH1-OE1 3.74Å; R434-E440 PolarHBondContact NH1-OE1 3.39Å; R434-E440 IonicContact NH1-OE2 2.72Å; R434-E440 PolarHBondContact NH1-OE2 3.26Å; E440-D442 PolarHBondContact O-N 2.96Å; E440-Y443 PolarHBondContact O-N 3.33Å; E440-H444 PolarHBondContact O-N 2.95Å
441	E	96.9	Very high	94.8	Very high	106 Å²	106	67.1 Å²	67.1	50%	0.495	31%	0.309	S	S	.	.	H	α-helix	trans	-65.8	-25.8	178.6	-62.8	87.4	165.9	0	0	112.9	V439 M445 R485	V439-E441 VanDerWaalsContact C-N 3.26Å; V439-E441 HydrophobicContact CG2-CB 4.38Å; V439-E441 VanDerWaalsContact CG2-OE2 3.29Å; V439-E441 WeakPolarHBondContact CG2-OE2 3.29Å; V439-E441 PolarHBondContact O-N 2.96Å; E441-M445 WeakPolarHBondContact O-CB 3.42Å; E441-M445 PolarHBondContact O-N 3.42Å; E441-R485 VanDerWaalsContact CB-NH1 3.35Å; E441-R485 VanDerWaalsContact CB-NH2 3.29Å
442	D	97.7	Very high	95	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-71.6	-42.1	176	-53.8	-25.5	0	0	0	110.5	F430 A438 V439 E440 H444 M445 V446 F482 R485 H486	F430-D442 HydrophobicContact CE2-CB 3.81Å; F430-D442 HydrophobicContact CZ-CB 3.89Å; A438-D442 WeakPolarHBondContact CA-OD2 3.5Å; A438-D442 HydrophobicContact CB-CB 4.13Å; V439-D442 PolarHBondContact N-OD2 3.42Å; V439-D442 VanDerWaalsContact O-CB 3.28Å; V439-D442 WeakPolarHBondContact O-CB 3.37Å; V439-D442 PolarHBondContact O-N 3.4Å; E440-D442 PolarHBondContact O-N 2.96Å; D442-H444 VanDerWaalsContact C-N 3.34Å; D442-M445 WeakPolarHBondContact O-CB 3.39Å; D442-M445 PolarHBondContact O-N 3.08Å; D442-V446 WeakPolarHBondContact O-CG2 3.2Å; D442-V446 PolarHBondContact O-N 3.26Å; D442-F482 HydrophobicContact CB-CD2 4.18Å; D442-F482 HydrophobicContact CB-CE2 4.28Å; D442-F482 WeakPolarHBondContact OD1-CD2 3.27Å; D442-R485 IonicContact OD1-CZ 3.04Å; D442-R485 IonicContact OD1-NH1 3.88Å; D442-R485 PolarHBondContact OD1-NH1 3.45Å; D442-H486 IonicContact OD1-NE2 2.69Å; D442-H486 PolarHBondContact OD1-NE2 3.02Å; D442-H486 IonicContact OD2-CD2 2.72Å; D442-H486 IonicContact OD2-CE1 2.78Å; D442-H486 PolarHBondContact OD2-CE1 3.46Å; D442-H486 IonicContact OD2-NE2 3.23Å; D442-H486 PolarHBondContact OD2-NE2 2.84Å
443	Y	97.3	Very high	95.3	Very high	5 Å²	5	60.4 Å²	60.4	2%	0.02	29%	0.285	C	S	.	.	H	α-helix	trans	-65.6	-39.3	174.6	-62.9	-79.8	0	0	0	111.2	F430 P431 R434 A438 V439 E440 M445 V446 E447 Y553	F430-Y443 HydrophobicContact CD1-CD1 4.33Å; F430-Y443 AromaticContact CD1-CE1 3.72Å; F430-Y443 HydrophobicContact CD1-CE1 3.72Å; F430-Y443 AromaticContact CE1-CD1 3.5Å; F430-Y443 HydrophobicContact CE1-CD1 3.5Å; F430-Y443 AromaticContact CE1-CE1 3.33Å; F430-Y443 HydrophobicContact CE1-CE1 3.33Å; F430-Y443 HydrophobicContact CE1-CG 4.32Å; F430-Y443 HydrophobicContact CZ-CD1 4.06Å; F430-Y443 HydrophobicContact CZ-CE1 4.08Å; F430-Y443 HydrophobicContact CZ-CG 4.46Å; P431-Y443 WeakPolarHBondContact O-CE1 3.2Å; P431-Y443 PolarHBondContact O-OH 3.27Å; R434-Y443 HydrophobicContact CB-CE2 4.05Å; R434-Y443 HydrophobicContact CG-CD1 4.5Å; R434-Y443 HydrophobicContact CG-CD2 4.22Å; R434-Y443 HydrophobicContact CG-CE1 4.18Å; R434-Y443 HydrophobicContact CG-CE2 3.9Å; A438-Y443 HydrophobicContact CB-CE2 3.87Å; V439-Y443 WeakPolarHBondContact O-CD2 2.95Å; V439-Y443 PolarHBondContact O-N 2.95Å; E440-Y443 PolarHBondContact O-N 3.33Å; Y443-M445 VanDerWaalsContact C-N 3.32Å; Y443-M445 PolarHBondContact O-N 2.83Å; Y443-V446 PolarHBondContact O-N 3.34Å; Y443-E447 PolarHBondContact O-N 3Å; Y443-Y553 WeakPolarHBondContact CD1-OH 3.36Å; Y443-Y553 HydrophobicContact CE1-CE2 4.42Å
444	H	97.1	Very high	95.5	Very high	117 Å²	117	60.1 Å²	60.1	54%	0.542	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-41.6	174.4	-177.5	64.2	0	0	0	112.1	E440 D442 E447 T448	E440-H444 PolarHBondContact O-N 2.95Å; D442-H444 VanDerWaalsContact C-N 3.34Å; H444-E447 PolarHBondContact O-N 2.84Å; H444-T448 WeakPolarHBondContact O-CB 3.42Å; H444-T448 PolarHBondContact O-N 2.97Å; H444-T448 PolarHBondContact O-OG1 3.34Å
445	M	98.1	Very high	95.9	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-60.6	-47.6	174.1	178.1	-167.5	75	0	0	111.5	E441 D442 Y443 E447 T448 V449 Q478 T479 F482 L508	E441-M445 WeakPolarHBondContact O-CB 3.42Å; E441-M445 PolarHBondContact O-N 3.42Å; D442-M445 WeakPolarHBondContact O-CB 3.39Å; D442-M445 PolarHBondContact O-N 3.08Å; Y443-M445 VanDerWaalsContact C-N 3.32Å; Y443-M445 PolarHBondContact O-N 2.83Å; M445-E447 VanDerWaalsContact C-N 3.34Å; M445-E447 PolarHBondContact O-N 2.99Å; M445-T448 PolarHBondContact O-N 2.83Å; M445-V449 HydrophobicContact CG-CG2 4.42Å; M445-V449 WeakPolarHBondContact O-CG2 3.33Å; M445-V449 PolarHBondContact O-N 3.31Å; M445-Q478 HydrophobicContact CB-CB 4.36Å; M445-Q478 HydrophobicContact CG-CB 3.89Å; M445-Q478 HydrophobicContact SD-CB 4.4Å; M445-T479 WeakPolarHBondContact SD-CA 3.49Å; M445-F482 HydrophobicContact CE-CB 3.95Å; M445-F482 HydrophobicContact CE-CD1 4.1Å; M445-F482 HydrophobicContact CE-CD2 4.14Å; M445-F482 HydrophobicContact CE-CG 3.8Å; M445-F482 HydrophobicContact SD-CB 3.62Å; M445-F482 HydrophobicContact SD-CG 4.17Å; M445-L508 HydrophobicContact CE-CD2 3.64Å; M445-L508 HydrophobicContact CE-CG 4.13Å
446	V	97.8	Very high	96.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56.3	-47.3	177.5	168.1	0	0	0	0	111.2	F430 D442 Y443 V449 R450 L508 F549 L550 Y553 F554	F430-V446 HydrophobicContact CE1-CG2 4.14Å; F430-V446 HydrophobicContact CZ-CG2 3.81Å; D442-V446 WeakPolarHBondContact O-CG2 3.2Å; D442-V446 PolarHBondContact O-N 3.26Å; Y443-V446 PolarHBondContact O-N 3.34Å; V446-V449 PolarHBondContact O-N 3.32Å; V446-R450 WeakPolarHBondContact O-CB 3.36Å; V446-R450 PolarHBondContact O-N 2.81Å; V446-L508 HydrophobicContact CG2-CD1 3.97Å; V446-L508 HydrophobicContact CG2-CD2 4.08Å; V446-F549 HydrophobicContact CG1-CE1 4.06Å; V446-F549 WeakPolarHBondContact O-CE1 3.23Å; V446-L550 HydrophobicContact CG1-CD2 3.91Å; V446-L550 HydrophobicContact CG2-CD2 4.14Å; V446-Y553 HydrophobicContact CG1-CD1 4.11Å; V446-Y553 HydrophobicContact CG1-CE1 3.97Å; V446-F554 HydrophobicContact CG1-CE2 4.42Å; V446-F554 HydrophobicContact CG1-CZ 4.02Å
447	E	96.6	Very high	96.7	Very high	73 Å²	73	47.9 Å²	47.9	34%	0.341	24%	0.24	S	C	.	.	H	α-helix	trans	-66.8	-38.2	178.4	-69.4	-56.4	149.8	0	0	112.7	Y443 H444 M445 R450 S451	Y443-E447 PolarHBondContact O-N 3Å; H444-E447 PolarHBondContact O-N 2.84Å; M445-E447 VanDerWaalsContact C-N 3.34Å; M445-E447 PolarHBondContact O-N 2.99Å; E447-R450 PolarHBondContact O-N 2.92Å; E447-R450 IonicContact OE2-CZ 2.8Å; E447-R450 IonicContact OE2-NE 3.45Å; E447-R450 PolarHBondContact OE2-NE 3.39Å; E447-R450 IonicContact OE2-NH1 3.41Å; E447-R450 IonicContact OE2-NH2 2.68Å; E447-R450 PolarHBondContact OE2-NH2 3.04Å; E447-S451 PolarHBondContact O-N 3.5Å; E447-S451 PolarHBondContact O-OG 3.36Å
448	T	97.8	Very high	96.9	Very high	32 Å²	32	50.8 Å²	50.8	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-48.1	176.7	-56.2	0	0	0	0	110.6	H444 M445 R450 S451 L452	H444-T448 WeakPolarHBondContact O-CB 3.42Å; H444-T448 PolarHBondContact O-N 2.97Å; H444-T448 PolarHBondContact O-OG1 3.34Å; M445-T448 PolarHBondContact O-N 2.83Å; T448-R450 VanDerWaalsContact C-N 3.35Å; T448-R450 PolarHBondContact O-N 3.44Å; T448-S451 PolarHBondContact O-N 2.97Å; T448-S451 PolarHBondContact O-OG 3.46Å; T448-L452 PolarHBondContact O-N 3.06Å; T448-L452 VanDerWaalsContact O-N 3.09Å
449	V	98.1	Very high	97	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-64.3	-39.5	177.6	177.1	0	0	0	0	111.3	M445 V446 S451 L452 C475 V515 Y516 F549	M445-V449 HydrophobicContact CG-CG2 4.42Å; M445-V449 WeakPolarHBondContact O-CG2 3.33Å; M445-V449 PolarHBondContact O-N 3.31Å; V446-V449 PolarHBondContact O-N 3.32Å; V449-S451 VanDerWaalsContact C-N 3.28Å; V449-S451 PolarHBondContact O-N 3.36Å; V449-L452 WeakPolarHBondContact O-CB 3.37Å; V449-L452 PolarHBondContact O-N 3.35Å; V449-L452 VanDerWaalsContact O-N 3.13Å; V449-C475 HydrophobicContact CG2-CB 4.15Å; V449-V515 HydrophobicContact CG1-CB 4.44Å; V449-V515 HydrophobicContact CG1-CG1 4.32Å; V449-Y516 HydrophobicContact CG1-CE1 4.28Å; V449-Y516 HydrophobicContact CG2-CE1 4.19Å; V449-Y516 VanDerWaalsContact CG2-OH 3.31Å; V449-Y516 WeakPolarHBondContact CG2-OH 3.34Å; V449-F549 HydrophobicContact CB-CD1 4.46Å; V449-F549 HydrophobicContact CB-CE1 3.87Å; V449-F549 HydrophobicContact CB-CE2 4.39Å; V449-F549 HydrophobicContact CB-CZ 3.83Å; V449-F549 HydrophobicContact CG1-CD1 4.13Å; V449-F549 HydrophobicContact CG1-CD2 3.9Å; V449-F549 HydrophobicContact CG1-CE1 3.81Å; V449-F549 HydrophobicContact CG1-CE2 3.58Å; V449-F549 HydrophobicContact CG1-CG 4.16Å; V449-F549 HydrophobicContact CG1-CZ 3.53Å
450	R	96	Very high	97	Very high	127 Å²	127	49.2 Å²	49.2	48%	0.479	24%	0.242	S	C	.	.	H	α-helix	trans	-58.9	-39.9	175.8	-168.1	-177.6	84.4	168.1	-1.6	112.5	V446 E447 T448 L452 F549 F554	V446-R450 WeakPolarHBondContact O-CB 3.36Å; V446-R450 PolarHBondContact O-N 2.81Å; E447-R450 PolarHBondContact O-N 2.92Å; E447-R450 IonicContact OE2-CZ 2.8Å; E447-R450 IonicContact OE2-NE 3.45Å; E447-R450 PolarHBondContact OE2-NE 3.39Å; E447-R450 IonicContact OE2-NH1 3.41Å; E447-R450 IonicContact OE2-NH2 2.68Å; E447-R450 PolarHBondContact OE2-NH2 3.04Å; T448-R450 VanDerWaalsContact C-N 3.35Å; T448-R450 PolarHBondContact O-N 3.44Å; R450-L452 VanDerWaalsContact C-N 3.34Å; R450-F549 HydrophobicContact CB-CD1 4Å; R450-F554 HydrophobicContact CG-CE2 4.32Å; R450-F554 HydrophobicContact CG-CZ 4.29Å; R450-F554 VanDerWaalsContact NH1-CE1 3.35Å
451	S	96.4	Very high	96.8	Very high	53 Å²	53	48.2 Å²	48.2	37%	0.371	24%	0.238	S	C	.	.	H	α-helix	trans	-83.3	-7.9	179.3	70.9	0	0	0	0	114.4	E447 T448 V449 S453 T454 V455	E447-S451 PolarHBondContact O-N 3.5Å; E447-S451 PolarHBondContact O-OG 3.36Å; T448-S451 PolarHBondContact O-N 2.97Å; T448-S451 PolarHBondContact O-OG 3.46Å; V449-S451 VanDerWaalsContact C-N 3.28Å; V449-S451 PolarHBondContact O-N 3.36Å; S451-S453 VanDerWaalsContact C-N 3.33Å; S451-S453 PolarHBondContact O-N 3.41Å; S451-T454 PolarHBondContact O-N 3.46Å; S451-V455 PolarHBondContact O-N 3Å
452	L	98.1	Very high	96.5	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-39.6	-169.4	-180	61	0	0	0	112.5	T448 V449 R450 T454 V455 V456 A471 I472 C475 V515 Y516 L519	T448-L452 PolarHBondContact O-N 3.06Å; T448-L452 VanDerWaalsContact O-N 3.09Å; V449-L452 WeakPolarHBondContact O-CB 3.37Å; V449-L452 PolarHBondContact O-N 3.35Å; V449-L452 VanDerWaalsContact O-N 3.13Å; R450-L452 VanDerWaalsContact C-N 3.34Å; L452-T454 PolarHBondContact O-N 3.14Å; L452-V455 PolarHBondContact O-N 2.6Å; L452-V456 HydrophobicContact CD1-CG2 3.86Å; L452-V456 HydrophobicContact CG-CG2 4.14Å; L452-V456 WeakPolarHBondContact O-CB 3.25Å; L452-V456 WeakPolarHBondContact O-CG2 3.31Å; L452-V456 PolarHBondContact O-N 2.92Å; L452-A471 HydrophobicContact CD1-CB 3.8Å; L452-I472 HydrophobicContact CD1-CG1 4.28Å; L452-I472 HydrophobicContact CD2-CG1 4.24Å; L452-C475 HydrophobicContact CD2-CB 4.11Å; L452-V515 HydrophobicContact CD2-CG1 4.29Å; L452-Y516 HydrophobicContact CD2-CD1 3.79Å; L452-Y516 HydrophobicContact CD2-CE1 3.76Å; L452-L519 HydrophobicContact CB-CD1 4.49Å; L452-L519 HydrophobicContact CD2-CD1 3.84Å; L452-L519 HydrophobicContact CG-CD1 3.74Å
453	S	96.3	Very high	96.2	Very high	21 Å²	21	45.3 Å²	45.3	15%	0.147	23%	0.229	C	C	.	.	H	α-helix	trans	-57.2	-49.9	178.5	55.7	0	0	0	0	111.2	S451 V455 V456 E457 W544	S451-S453 VanDerWaalsContact C-N 3.33Å; S451-S453 PolarHBondContact O-N 3.41Å; S453-V455 VanDerWaalsContact C-N 3.33Å; S453-V455 PolarHBondContact O-N 2.84Å; S453-V456 PolarHBondContact O-N 2.96Å; S453-E457 WeakPolarHBondContact O-CB 3.41Å; S453-E457 PolarHBondContact O-N 2.85Å; S453-W544 WeakPolarHBondContact O-CH2 3.29Å
454	T	95.9	Very high	96.1	Very high	91 Å²	91	47.8 Å²	47.8	56%	0.558	24%	0.24	S	C	*	.	H	α-helix	trans	-60.2	-40	177.3	-53.5	0	0	0	0	112.7	S451 L452 K458	S451-T454 PolarHBondContact O-N 3.46Å; L452-T454 PolarHBondContact O-N 3.14Å; T454-K458 PolarHBondContact O-N 2.91Å; T454-K458 VanDerWaalsContact O-N 3.13Å
455	V	98	Very high	96.1	Very high	53 Å²	53	42.5 Å²	42.5	32%	0.321	22%	0.216	S	C	.	.	H	α-helix	trans	-65.4	-44.8	177	174.1	0	0	0	0	110.9	S451 L452 S453 K458 H459 A471	S451-V455 PolarHBondContact O-N 3Å; L452-V455 PolarHBondContact O-N 2.6Å; S453-V455 VanDerWaalsContact C-N 3.33Å; S453-V455 PolarHBondContact O-N 2.84Å; V455-K458 PolarHBondContact O-N 3.03Å; V455-H459 PolarHBondContact O-CD2 2.99Å; V455-H459 PolarHBondContact O-N 2.9Å; V455-A471 HydrophobicContact CG1-CB 3.98Å
456	V	97.9	Very high	96.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-43.7	179.4	165.2	0	0	0	0	111.4	W80 L452 S453 K458 H459 Y460 A468 I472 L519	W80-V456 HydrophobicContact CH2-CG1 4.38Å; W80-V456 HydrophobicContact CZ3-CG1 4.23Å; L452-V456 HydrophobicContact CD1-CG2 3.86Å; L452-V456 HydrophobicContact CG-CG2 4.14Å; L452-V456 WeakPolarHBondContact O-CB 3.25Å; L452-V456 WeakPolarHBondContact O-CG2 3.31Å; L452-V456 PolarHBondContact O-N 2.92Å; S453-V456 PolarHBondContact O-N 2.96Å; V456-K458 PolarHBondContact O-N 3.17Å; V456-H459 PolarHBondContact O-N 3.26Å; V456-Y460 HydrophobicContact CG1-CD2 3.4Å; V456-Y460 HydrophobicContact CG1-CE2 3.28Å; V456-Y460 WeakPolarHBondContact O-CD2 3.43Å; V456-Y460 PolarHBondContact O-N 2.79Å; V456-A468 HydrophobicContact CB-CB 4.46Å; V456-A468 HydrophobicContact CG1-CB 4.16Å; V456-A468 HydrophobicContact CG2-CB 4.24Å; V456-I472 HydrophobicContact CG2-CD1 4.02Å; V456-I472 HydrophobicContact CG2-CG1 3.84Å; V456-L519 HydrophobicContact CB-CD1 4.45Å; V456-L519 HydrophobicContact CB-CD2 4.46Å; V456-L519 HydrophobicContact CG1-CB 4.45Å; V456-L519 HydrophobicContact CG1-CD2 4.05Å; V456-L519 HydrophobicContact CG2-CD1 4.17Å
457	E	96.3	Very high	96.1	Very high	62 Å²	62	47.2 Å²	47.2	29%	0.29	24%	0.236	S	C	.	.	H	α-helix	trans	-55.2	-53.1	174.8	170	172.1	-120.2	0	0	111.3	W80 Q84 S453 H459 Y460 E461 W544	W80-E457 HydrophobicContact CH2-CB 3.91Å; W80-E457 VanDerWaalsContact CZ2-CA 3.44Å; W80-E457 HydrophobicContact CZ2-CB 3.65Å; W80-E457 HydrophobicContact CZ2-CG 3.89Å; Q84-E457 PolarHBondContact NE2-OE1 2.94Å; S453-E457 WeakPolarHBondContact O-CB 3.41Å; S453-E457 PolarHBondContact O-N 2.85Å; E457-H459 PolarHBondContact O-N 3.34Å; E457-H459 VanDerWaalsContact O-N 3.16Å; E457-Y460 PolarHBondContact O-N 2.93Å; E457-E461 HydrophobicContact CG-CG 4.29Å; E457-E461 WeakPolarHBondContact O-CG 3.4Å; E457-E461 PolarHBondContact O-N 3.39Å; E457-W544 HydrophobicContact CB-CH2 3.86Å; E457-W544 HydrophobicContact CB-CZ2 4.15Å
458	K	96.5	Very high	96.2	Very high	151 Å²	151	43.8 Å²	43.8	66%	0.657	22%	0.22	S	C	*	.	H	α-helix	trans	-52.5	-42.4	177.9	-179.5	-178	177.9	-179.6	0	112.2	T454 V455 V456 S462	T454-K458 PolarHBondContact O-N 2.91Å; T454-K458 VanDerWaalsContact O-N 3.13Å; V455-K458 PolarHBondContact O-N 3.03Å; V456-K458 PolarHBondContact O-N 3.17Å; K458-S462 PolarHBondContact O-N 3.44Å; K458-S462 PolarHBondContact O-OG 3.34Å
459	H	97.3	Very high	96.2	Very high	30 Å²	30	42.2 Å²	42.2	14%	0.139	21%	0.21	C	C	.	.	H	α-helix	trans	-75	-37.7	-178	-74.5	-45.5	0	0	0	113.2	V455 V456 E457 S462 M463 Q464 K467 A468	V455-H459 PolarHBondContact O-CD2 2.99Å; V455-H459 PolarHBondContact O-N 2.9Å; V456-H459 PolarHBondContact O-N 3.26Å; E457-H459 PolarHBondContact O-N 3.34Å; E457-H459 VanDerWaalsContact O-N 3.16Å; H459-S462 PolarHBondContact O-N 2.82Å; H459-S462 PolarHBondContact O-OG 3.24Å; H459-M463 PolarHBondContact O-N 3.4Å; H459-Q464 HydrophobicContact CB-CB 4.29Å; H459-Q464 PolarHBondContact ND1-OE1 3.46Å; H459-Q464 CarbonylContact O-C 3.54Å; H459-Q464 WeakPolarHBondContact O-CA 3.28Å; H459-Q464 PolarHBondContact O-N 3.49Å; H459-K467 HydrophobicContact CB-CB 4.36Å; H459-K467 VanDerWaalsContact CE1-CD 3.47Å; H459-K467 WeakPolarHBondContact CE1-CD 3.42Å; H459-A468 HydrophobicContact CB-CB 3.88Å
460	Y	95.3	Very high	96.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-45.7	173	-83.7	-63.5	0	0	0	112	C76 L77 W80 V456 E457 S462 M463 V465 A468 L519 P522 V523	C76-Y460 WeakPolarHBondContact SG-CE1 3.45Å; L77-Y460 VanDerWaalsContact CD2-O 3.3Å; L77-Y460 WeakPolarHBondContact CD2-O 3.32Å; W80-Y460 HydrophobicContact CB-CD1 4.45Å; W80-Y460 HydrophobicContact CB-CG 4.5Å; W80-Y460 AromaticContact CD2-CD2 3.72Å; W80-Y460 HydrophobicContact CD2-CD2 3.72Å; W80-Y460 HydrophobicContact CD2-CE2 4.4Å; W80-Y460 AromaticContact CD2-CG 3.81Å; W80-Y460 HydrophobicContact CD2-CG 3.81Å; W80-Y460 AromaticContact CE3-CD2 3.49Å; W80-Y460 HydrophobicContact CE3-CD2 3.49Å; W80-Y460 VanDerWaalsContact CE3-CD2 3.49Å; W80-Y460 AromaticContact CE3-CE2 3.79Å; W80-Y460 HydrophobicContact CE3-CE2 3.79Å; W80-Y460 HydrophobicContact CE3-CG 4.05Å; W80-Y460 HydrophobicContact CG-CD1 4.4Å; W80-Y460 HydrophobicContact CG-CD2 4.36Å; W80-Y460 AromaticContact CG-CG 3.99Å; W80-Y460 HydrophobicContact CG-CG 3.99Å; W80-Y460 HydrophobicContact CH2-CD2 4.07Å; W80-Y460 HydrophobicContact CZ2-CD2 4.36Å; W80-Y460 AromaticContact CZ3-CD2 3.66Å; W80-Y460 HydrophobicContact CZ3-CD2 3.66Å; W80-Y460 AromaticContact CZ3-CE2 3.96Å; W80-Y460 HydrophobicContact CZ3-CE2 3.96Å; V456-Y460 HydrophobicContact CG1-CD2 3.4Å; V456-Y460 HydrophobicContact CG1-CE2 3.28Å; V456-Y460 WeakPolarHBondContact O-CD2 3.43Å; V456-Y460 PolarHBondContact O-N 2.79Å; E457-Y460 PolarHBondContact O-N 2.93Å; Y460-S462 PolarHBondContact O-N 3.19Å; Y460-S462 VanDerWaalsContact O-N 3.17Å; Y460-M463 PolarHBondContact O-N 3.09Å; Y460-V465 HydrophobicContact CD1-CG2 4.03Å; Y460-V465 HydrophobicContact CE1-CB 4.46Å; Y460-V465 HydrophobicContact CE1-CG1 3.87Å; Y460-V465 HydrophobicContact CE1-CG2 4.07Å; Y460-A468 HydrophobicContact CD2-CB 4.38Å; Y460-A468 HydrophobicContact CE2-CB 4.22Å; Y460-L519 PolarHBondContact OH-O 3.39Å; Y460-P522 HydrophobicContact CE1-CB 4.4Å; Y460-V523 HydrophobicContact CE1-CG2 4.27Å; Y460-V523 WeakPolarHBondContact OH-CG2 3.33Å
461	E	91.7	Very high	96.4	Very high	83 Å²	83	40.9 Å²	40.9	39%	0.388	21%	0.213	S	C	.	.	H	α-helix	trans	-60.2	-28.2	179.7	-65.6	-58	148.2	0	0	112.7	W80 K81 Q84 E457	W80-E461 PolarHBondContact NE1-OE1 3.05Å; K81-E461 IonicContact NZ-OE1 3.79Å; K81-E461 PolarHBondContact NZ-OE1 3.05Å; K81-E461 IonicContact NZ-OE2 3.79Å; K81-E461 PolarHBondContact NZ-OE2 3.34Å; Q84-E461 PolarHBondContact OE1-OE1 2.84Å; E457-E461 HydrophobicContact CG-CG 4.29Å; E457-E461 WeakPolarHBondContact O-CG 3.4Å; E457-E461 PolarHBondContact O-N 3.39Å
462	S	90	Very high	96.5	Very high	41 Å²	41	38.5 Å²	38.5	29%	0.287	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	12.6	176.2	70.9	0	0	0	0	114.4	K458 H459 Y460 Q464	K458-S462 PolarHBondContact O-N 3.44Å; K458-S462 PolarHBondContact O-OG 3.34Å; H459-S462 PolarHBondContact O-N 2.82Å; H459-S462 PolarHBondContact O-OG 3.24Å; Y460-S462 PolarHBondContact O-N 3.19Å; Y460-S462 VanDerWaalsContact O-N 3.17Å; S462-Q464 PolarHBondContact O-N 3.39Å; S462-Q464 VanDerWaalsContact O-N 3.12Å; S462-Q464 WeakPolarHBondContact OG-CG 3.28Å
463	M	92.7	Very high	96.5	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.02	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	27.4	-173.9	-162.1	-166	43.4	0	0	113.9	I73 L77 H337 V338 P381 H459 Y460 V465	I73-M463 HydrophobicContact CG2-CG 3.88Å; I73-M463 HydrophobicContact CG2-SD 3.66Å; L77-M463 HydrophobicContact CD1-CG 4.29Å; H337-M463 HydrophobicContact CB-CE 4Å; H337-M463 HydrophobicContact CB-SD 3.6Å; H337-M463 VanDerWaalsContact CB-SD 3.6Å; V338-M463 WeakPolarHBondContact O-CE 3.25Å; P381-M463 HydrophobicContact CB-CE 3.71Å; P381-M463 HydrophobicContact CG-CE 3.95Å; P381-M463 VanDerWaalsContact CG-O 3.31Å; P381-M463 WeakPolarHBondContact CG-O 3.37Å; H459-M463 PolarHBondContact O-N 3.4Å; Y460-M463 PolarHBondContact O-N 3.09Å; M463-V465 VanDerWaalsContact C-N 3.29Å; M463-V465 PolarHBondContact O-N 3.26Å
464	Q	94.8	Very high	96.6	Very high	57 Å²	57	39 Å²	39	27%	0.266	20%	0.201	S	C	.	.			trans	-94.6	51.8	174.6	-69.2	-174.1	-26.6	0	0	110.7	H459 S462 Y466 K467 A468	H459-Q464 HydrophobicContact CB-CB 4.29Å; H459-Q464 PolarHBondContact ND1-OE1 3.46Å; H459-Q464 CarbonylContact O-C 3.54Å; H459-Q464 WeakPolarHBondContact O-CA 3.28Å; H459-Q464 PolarHBondContact O-N 3.49Å; S462-Q464 PolarHBondContact O-N 3.39Å; S462-Q464 VanDerWaalsContact O-N 3.12Å; S462-Q464 WeakPolarHBondContact OG-CG 3.28Å; Q464-Y466 HydrophobicContact CB-CE1 4.22Å; Q464-Y466 HydrophobicContact CG-CE1 4.34Å; Q464-Y466 PolarHBondContact O-N 3.31Å; Q464-K467 HydrophobicContact CB-CB 4.37Å; Q464-K467 HydrophobicContact CB-CD 4.25Å; Q464-K467 HydrophobicContact CB-CG 4.41Å; Q464-K467 VanDerWaalsContact NE2-NZ 3.12Å; Q464-K467 WeakPolarHBondContact O-CB 3.43Å; Q464-K467 PolarHBondContact O-N 3.05Å; Q464-A468 PolarHBondContact O-N 2.96Å
465	V	97.3	Very high	96.8	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.03	18%	0.175	C	C	.	.	H	α-helix	trans	-54.7	-39.2	-174.5	-176.8	0	0	0	0	112	L376 Y460 M463 K467 A468 L469 V523	L376-V465 HydrophobicContact CB-CG1 3.92Å; L376-V465 HydrophobicContact CD2-CG1 4.44Å; Y460-V465 HydrophobicContact CD1-CG2 4.03Å; Y460-V465 HydrophobicContact CE1-CB 4.46Å; Y460-V465 HydrophobicContact CE1-CG1 3.87Å; Y460-V465 HydrophobicContact CE1-CG2 4.07Å; M463-V465 VanDerWaalsContact C-N 3.29Å; M463-V465 PolarHBondContact O-N 3.26Å; V465-K467 VanDerWaalsContact C-N 3.28Å; V465-K467 PolarHBondContact O-N 3.39Å; V465-A468 WeakPolarHBondContact O-CB 3.16Å; V465-A468 PolarHBondContact O-N 2.89Å; V465-A468 VanDerWaalsContact O-N 3.11Å; V465-L469 HydrophobicContact CG1-CD1 4.19Å; V465-L469 HydrophobicContact CG1-CG 4.38Å; V465-L469 WeakPolarHBondContact O-CG 3.41Å; V465-L469 PolarHBondContact O-N 2.95Å; V465-V523 HydrophobicContact CG1-CG2 3.84Å
466	Y	97.5	Very high	96.8	Very high	37 Å²	37	32.5 Å²	32.5	15%	0.145	16%	0.162	C	C	.	.	H	α-helix	trans	-57.1	-37.7	177.2	75.1	-81.5	0	0	0	113.2	L376 R377 V380 Q464 L469 E470	L376-Y466 WeakPolarHBondContact O-CA 3.4Å; L376-Y466 PolarHBondContact O-N 2.82Å; R377-Y466 WeakPolarHBondContact O-CB 3.33Å; V380-Y466 HydrophobicContact CG1-CE1 4.06Å; V380-Y466 HydrophobicContact CG2-CE2 4.48Å; Q464-Y466 HydrophobicContact CB-CE1 4.22Å; Q464-Y466 HydrophobicContact CG-CE1 4.34Å; Q464-Y466 PolarHBondContact O-N 3.31Å; Y466-L469 PolarHBondContact O-N 3.31Å; Y466-E470 WeakPolarHBondContact O-CG 3.28Å; Y466-E470 PolarHBondContact O-N 2.87Å
467	K	98.1	Very high	96.9	Very high	66 Å²	66	38.7 Å²	38.7	29%	0.287	19%	0.185	S	C	.	.	H	α-helix	trans	-72.2	-36	177	-69.1	-174.3	178.8	159.3	0	112.5	H459 Q464 V465 L469 E470 A471	H459-K467 HydrophobicContact CB-CB 4.36Å; H459-K467 VanDerWaalsContact CE1-CD 3.47Å; H459-K467 WeakPolarHBondContact CE1-CD 3.42Å; Q464-K467 HydrophobicContact CB-CB 4.37Å; Q464-K467 HydrophobicContact CB-CD 4.25Å; Q464-K467 HydrophobicContact CB-CG 4.41Å; Q464-K467 VanDerWaalsContact NE2-NZ 3.12Å; Q464-K467 WeakPolarHBondContact O-CB 3.43Å; Q464-K467 PolarHBondContact O-N 3.05Å; V465-K467 VanDerWaalsContact C-N 3.28Å; V465-K467 PolarHBondContact O-N 3.39Å; K467-L469 VanDerWaalsContact C-N 3.3Å; K467-E470 PolarHBondContact O-N 2.96Å; K467-A471 PolarHBondContact O-N 2.76Å
468	A	98.4	Very high	97	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.5	-46.3	172.1	0	0	0	0	0	110.3	V456 H459 Y460 Q464 V465 A471 I472	V456-A468 HydrophobicContact CB-CB 4.46Å; V456-A468 HydrophobicContact CG1-CB 4.16Å; V456-A468 HydrophobicContact CG2-CB 4.24Å; H459-A468 HydrophobicContact CB-CB 3.88Å; Y460-A468 HydrophobicContact CD2-CB 4.38Å; Y460-A468 HydrophobicContact CE2-CB 4.22Å; Q464-A468 PolarHBondContact O-N 2.96Å; V465-A468 WeakPolarHBondContact O-CB 3.16Å; V465-A468 PolarHBondContact O-N 2.89Å; V465-A468 VanDerWaalsContact O-N 3.11Å; A468-A471 PolarHBondContact O-N 2.74Å; A468-I472 WeakPolarHBondContact O-CG1 3.1Å; A468-I472 PolarHBondContact O-N 3.23Å
469	L	98.7	Very high	97.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.7	-34.6	178	-64	176.4	0	0	0	112.9	Y373 L376 R377 V465 Y466 K467 I472 S473 L520 V523	Y373-L469 HydrophobicContact CE2-CD1 4.4Å; Y373-L469 HydrophobicContact CE2-CD2 4.08Å; L376-L469 HydrophobicContact CB-CD1 4.21Å; R377-L469 HydrophobicContact CB-CD1 3.83Å; V465-L469 HydrophobicContact CG1-CD1 4.19Å; V465-L469 HydrophobicContact CG1-CG 4.38Å; V465-L469 WeakPolarHBondContact O-CG 3.41Å; V465-L469 PolarHBondContact O-N 2.95Å; Y466-L469 PolarHBondContact O-N 3.31Å; K467-L469 VanDerWaalsContact C-N 3.3Å; L469-I472 HydrophobicContact CD2-CD1 4.4Å; L469-I472 PolarHBondContact O-N 3.08Å; L469-S473 WeakPolarHBondContact O-CB 3.39Å; L469-S473 PolarHBondContact O-N 3.4Å; L469-L520 HydrophobicContact CD2-CD2 3.47Å; L469-L520 VanDerWaalsContact CD2-CD2 3.47Å; L469-V523 HydrophobicContact CD1-CG1 3.84Å; L469-V523 HydrophobicContact CD1-CG2 4.3Å; L469-V523 HydrophobicContact CD2-CB 4.28Å; L469-V523 HydrophobicContact CD2-CG1 4.12Å; L469-V523 HydrophobicContact CD2-CG2 4.03Å; L469-V523 HydrophobicContact CG-CG2 4.44Å
470	E	98.6	Very high	97.1	Very high	80 Å²	80	31.2 Å²	31.2	37%	0.374	15%	0.154	S	C	.	.	H	α-helix	trans	-61.3	-44	171.1	-79	174	174.8	0	0	112.5	R377 Y466 K467 S473 A474	R377-E470 IonicContact CZ-OE1 3.92Å; R377-E470 IonicContact NH1-OE1 3.38Å; R377-E470 PolarHBondContact NH1-OE1 2.96Å; R377-E470 IonicContact NH2-OE1 3.84Å; Y466-E470 WeakPolarHBondContact O-CG 3.28Å; Y466-E470 PolarHBondContact O-N 2.87Å; K467-E470 PolarHBondContact O-N 2.96Å; E470-S473 PolarHBondContact O-N 2.75Å; E470-A474 VanDerWaalsContact O-CB 3.29Å; E470-A474 WeakPolarHBondContact O-CB 3.42Å; E470-A474 PolarHBondContact O-N 2.93Å
471	A	98.8	Very high	97.3	Very high	20 Å²	20	32.8 Å²	32.8	17%	0.165	17%	0.169	C	C	.	.	H	α-helix	trans	-64.1	-44	177.5	0	0	0	0	0	111.6	L452 V455 K467 A468 A474 C475	L452-A471 HydrophobicContact CD1-CB 3.8Å; V455-A471 HydrophobicContact CG1-CB 3.98Å; K467-A471 PolarHBondContact O-N 2.76Å; A468-A471 PolarHBondContact O-N 2.74Å; A471-A474 PolarHBondContact O-N 3.45Å; A471-C475 PolarHBondContact O-N 3.33Å; A471-C475 PolarHBondContact O-SG 2.58Å
472	I	98.8	Very high	97.6	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-62.4	-50	175.4	-64.9	164.6	0	0	0	110.1	L452 V456 A468 L469 A474 C475 V476 Y516 L519 L520	L452-I472 HydrophobicContact CD1-CG1 4.28Å; L452-I472 HydrophobicContact CD2-CG1 4.24Å; V456-I472 HydrophobicContact CG2-CD1 4.02Å; V456-I472 HydrophobicContact CG2-CG1 3.84Å; A468-I472 WeakPolarHBondContact O-CG1 3.1Å; A468-I472 PolarHBondContact O-N 3.23Å; L469-I472 HydrophobicContact CD2-CD1 4.4Å; L469-I472 PolarHBondContact O-N 3.08Å; I472-A474 VanDerWaalsContact C-N 3.29Å; I472-A474 PolarHBondContact O-N 2.84Å; I472-C475 WeakPolarHBondContact O-CB 3.41Å; I472-C475 PolarHBondContact O-N 3.23Å; I472-C475 VanDerWaalsContact O-N 3.08Å; I472-V476 HydrophobicContact CG2-CG2 4.42Å; I472-V476 WeakPolarHBondContact O-CG2 3.5Å; I472-V476 PolarHBondContact O-N 2.78Å; I472-Y516 HydrophobicContact CG2-CD1 4.38Å; I472-Y516 HydrophobicContact CG2-CG 4.41Å; I472-L519 HydrophobicContact CD1-CB 3.87Å; I472-L519 HydrophobicContact CG1-CB 4.48Å; I472-L520 HydrophobicContact CD1-CD2 4.06Å; I472-L520 HydrophobicContact CD1-CG 4.29Å; I472-L520 HydrophobicContact CG2-CD1 4.24Å; I472-L520 HydrophobicContact CG2-CD2 4.28Å; I472-L520 HydrophobicContact CG2-CG 4.18Å
473	S	98.6	Very high	98	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.042	14%	0.138	C	C	.	.	H	α-helix	trans	-59.1	-38.5	178.4	176.1	0	0	0	0	112.1	E399 L469 E470 V476 R477	E399-S473 VanDerWaalsContact CD-OG 3.25Å; E399-S473 PolarHBondContact OE1-OG 3.25Å; L469-S473 WeakPolarHBondContact O-CB 3.39Å; L469-S473 PolarHBondContact O-N 3.4Å; E470-S473 PolarHBondContact O-N 2.75Å; S473-V476 PolarHBondContact O-N 2.96Å; S473-R477 WeakPolarHBondContact O-CG 3.41Å; S473-R477 PolarHBondContact O-N 3.23Å; S473-R477 PolarHBondContact O-NH1 2.68Å; S473-R477 PolarHBondContact OG-NH1 3.38Å
474	A	98.6	Very high	98.2	Very high	29 Å²	29	31.9 Å²	31.9	24%	0.24	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-43.6	173.4	0	0	0	0	0	112.3	E470 A471 I472 R477 Q478	E470-A474 VanDerWaalsContact O-CB 3.29Å; E470-A474 WeakPolarHBondContact O-CB 3.42Å; E470-A474 PolarHBondContact O-N 2.93Å; A471-A474 PolarHBondContact O-N 3.45Å; I472-A474 VanDerWaalsContact C-N 3.29Å; I472-A474 PolarHBondContact O-N 2.84Å; A474-R477 PolarHBondContact O-N 3.18Å; A474-Q478 WeakPolarHBondContact O-CG 3.46Å; A474-Q478 PolarHBondContact O-N 3.33Å
475	C	98.8	Very high	98.4	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.014	17%	0.168	C	C	.	.	H	α-helix	trans	-64.9	-40.6	175.8	-66.3	0	0	0	0	112.1	V449 L452 A471 I472 R477 Q478 T479 Y516	V449-C475 HydrophobicContact CG2-CB 4.15Å; L452-C475 HydrophobicContact CD2-CB 4.11Å; A471-C475 PolarHBondContact O-N 3.33Å; A471-C475 PolarHBondContact O-SG 2.58Å; I472-C475 WeakPolarHBondContact O-CB 3.41Å; I472-C475 PolarHBondContact O-N 3.23Å; I472-C475 VanDerWaalsContact O-N 3.08Å; C475-R477 VanDerWaalsContact C-N 3.3Å; C475-R477 PolarHBondContact O-N 3.36Å; C475-Q478 PolarHBondContact O-N 3Å; C475-T479 PolarHBondContact O-N 3.05Å; C475-T479 PolarHBondContact O-OG1 3Å; C475-Y516 VanDerWaalsContact C-OH 3.31Å; C475-Y516 HydrophobicContact CB-CD1 4.49Å; C475-Y516 HydrophobicContact CB-CE1 3.52Å; C475-Y516 WeakPolarHBondContact CB-OH 3.46Å; C475-Y516 PolarHBondContact O-OH 3.15Å; C475-Y516 VanDerWaalsContact O-OH 3.11Å
476	V	98.8	Very high	98.4	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.036	17%	0.172	C	C	.	.	H	α-helix	trans	-58	-43.6	173.3	173.6	0	0	0	0	110.7	L404 I472 S473 T479 N480 Y516	L404-V476 HydrophobicContact CB-CG1 4.45Å; L404-V476 HydrophobicContact CD1-CG2 4.03Å; I472-V476 HydrophobicContact CG2-CG2 4.42Å; I472-V476 WeakPolarHBondContact O-CG2 3.5Å; I472-V476 PolarHBondContact O-N 2.78Å; S473-V476 PolarHBondContact O-N 2.96Å; V476-T479 PolarHBondContact O-N 3.02Å; V476-N480 WeakPolarHBondContact O-CB 3.46Å; V476-N480 PolarHBondContact O-N 3.12Å; V476-N480 PolarHBondContact O-ND2 3.24Å; V476-Y516 HydrophobicContact CB-CE2 4.35Å; V476-Y516 HydrophobicContact CG2-CD2 3.45Å; V476-Y516 VanDerWaalsContact CG2-CD2 3.45Å; V476-Y516 HydrophobicContact CG2-CE2 3.67Å; V476-Y516 HydrophobicContact CG2-CG 3.99Å
477	R	98.6	Very high	98.4	Very high	129 Å²	129	35.5 Å²	35.5	49%	0.487	18%	0.176	S	C	.	.	H	α-helix	trans	-63.7	-41.2	175.6	-73.8	-168.6	-61.5	-81.9	0.6	112.6	S473 A474 C475 N480 G481	S473-R477 WeakPolarHBondContact O-CG 3.41Å; S473-R477 PolarHBondContact O-N 3.23Å; S473-R477 PolarHBondContact O-NH1 2.68Å; S473-R477 PolarHBondContact OG-NH1 3.38Å; A474-R477 PolarHBondContact O-N 3.18Å; C475-R477 VanDerWaalsContact C-N 3.3Å; C475-R477 PolarHBondContact O-N 3.36Å; R477-N480 WeakPolarHBondContact O-CB 3.43Å; R477-N480 PolarHBondContact O-N 3.14Å; R477-G481 PolarHBondContact O-N 3.43Å
478	Q	98.6	Very high	98.3	Very high	62 Å²	62	32.4 Å²	32.4	29%	0.29	16%	0.163	S	C	.	.	H	α-helix	trans	-62.1	-44	175.9	-69	-178.1	38.8	0	0	111.4	M445 A474 C475 N480 G481 F482	M445-Q478 HydrophobicContact CB-CB 4.36Å; M445-Q478 HydrophobicContact CG-CB 3.89Å; M445-Q478 HydrophobicContact SD-CB 4.4Å; A474-Q478 WeakPolarHBondContact O-CG 3.46Å; A474-Q478 PolarHBondContact O-N 3.33Å; C475-Q478 PolarHBondContact O-N 3Å; Q478-N480 VanDerWaalsContact C-N 3.35Å; Q478-N480 PolarHBondContact O-N 3.32Å; Q478-G481 CarbonylContact O-C 3.49Å; Q478-G481 WeakPolarHBondContact O-CA 3.44Å; Q478-G481 PolarHBondContact O-N 3.47Å; Q478-F482 PolarHBondContact O-N 2.84Å
479	T	98.8	Very high	98.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66	-36.4	176.8	-56	0	0	0	0	112.5	L407 M445 C475 V476 G481 F482 I483 T509 C512 Y516	L407-T479 HydrophobicContact CD1-CG2 4.2Å; L407-T479 HydrophobicContact CD2-CG2 3.68Å; M445-T479 WeakPolarHBondContact SD-CA 3.49Å; C475-T479 PolarHBondContact O-N 3.05Å; C475-T479 PolarHBondContact O-OG1 3Å; V476-T479 PolarHBondContact O-N 3.02Å; T479-G481 VanDerWaalsContact C-N 3.34Å; T479-F482 WeakPolarHBondContact O-CB 3.29Å; T479-F482 PolarHBondContact O-N 3.34Å; T479-I483 PolarHBondContact O-N 2.78Å; T479-I483 VanDerWaalsContact O-N 3.11Å; T479-T509 HydrophobicContact CG2-CG2 3.97Å; T479-C512 HydrophobicContact CG2-CB 4.04Å; T479-Y516 PolarHBondContact OG1-OH 3.29Å
480	N	98.7	Very high	98.1	Very high	25 Å²	25	46 Å²	46	13%	0.134	22%	0.219	C	C	.	.	H	α-helix	trans	-59.2	-45.4	168.6	-89.1	-84.8	0	0	0	111.8	S403 R410 V476 R477 Q478 I483 Q484	S403-N480 PolarHBondContact O-ND2 2.9Å; R410-N480 PolarHBondContact NH2-OD1 3.08Å; V476-N480 WeakPolarHBondContact O-CB 3.46Å; V476-N480 PolarHBondContact O-N 3.12Å; V476-N480 PolarHBondContact O-ND2 3.24Å; R477-N480 WeakPolarHBondContact O-CB 3.43Å; R477-N480 PolarHBondContact O-N 3.14Å; Q478-N480 VanDerWaalsContact C-N 3.35Å; Q478-N480 PolarHBondContact O-N 3.32Å; N480-I483 PolarHBondContact O-N 3.1Å; N480-Q484 VanDerWaalsContact O-CG 3.32Å; N480-Q484 WeakPolarHBondContact O-CG 3.24Å; N480-Q484 PolarHBondContact O-N 3.5Å
481	G	98.4	Very high	97.9	Very high	32 Å²	32	43.9 Å²	43.9	33%	0.33	21%	0.21	S	C	.	.	H	α-helix	trans	-60.6	-41.5	176.1	0	0	0	0	0	112.9	R477 Q478 T479 Q484 R485	R477-G481 PolarHBondContact O-N 3.43Å; Q478-G481 CarbonylContact O-C 3.49Å; Q478-G481 WeakPolarHBondContact O-CA 3.44Å; Q478-G481 PolarHBondContact O-N 3.47Å; T479-G481 VanDerWaalsContact C-N 3.34Å; G481-Q484 PolarHBondContact O-N 2.99Å; G481-R485 WeakPolarHBondContact O-CB 3.38Å; G481-R485 PolarHBondContact O-N 3.26Å
482	F	98.6	Very high	97.7	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.009	22%	0.217	C	C	.	.	H	α-helix	trans	-57.3	-52.5	174	169.4	-108.7	0	0	0	112.1	D442 M445 Q478 T479 Q484 R485 H486 W501 I505 L508	D442-F482 HydrophobicContact CB-CD2 4.18Å; D442-F482 HydrophobicContact CB-CE2 4.28Å; D442-F482 WeakPolarHBondContact OD1-CD2 3.27Å; M445-F482 HydrophobicContact CE-CB 3.95Å; M445-F482 HydrophobicContact CE-CD1 4.1Å; M445-F482 HydrophobicContact CE-CD2 4.14Å; M445-F482 HydrophobicContact CE-CG 3.8Å; M445-F482 HydrophobicContact SD-CB 3.62Å; M445-F482 HydrophobicContact SD-CG 4.17Å; Q478-F482 PolarHBondContact O-N 2.84Å; T479-F482 WeakPolarHBondContact O-CB 3.29Å; T479-F482 PolarHBondContact O-N 3.34Å; F482-Q484 VanDerWaalsContact C-N 3.3Å; F482-Q484 PolarHBondContact O-N 3.44Å; F482-R485 PolarHBondContact O-N 2.95Å; F482-H486 AromaticContact CD2-CD2 3.44Å; F482-H486 VanDerWaalsContact CD2-CD2 3.44Å; F482-H486 WeakPolarHBondContact CD2-CD2 3.37Å; F482-H486 AromaticContact CD2-NE2 3.79Å; F482-H486 AromaticContact CE2-CD2 3.34Å; F482-H486 WeakPolarHBondContact CE2-CD2 3.38Å; F482-H486 AromaticContact CE2-NE2 3.63Å; F482-H486 PolarHBondContact O-CD2 3.33Å; F482-H486 VanDerWaalsContact O-CD2 3.28Å; F482-H486 PolarHBondContact O-N 3Å; F482-W501 HydrophobicContact CE2-CH2 4.39Å; F482-I505 HydrophobicContact CD1-CG2 4.5Å; F482-I505 HydrophobicContact CE1-CB 4.1Å; F482-I505 HydrophobicContact CE1-CG1 4.18Å; F482-I505 HydrophobicContact CE1-CG2 3.72Å; F482-I505 HydrophobicContact CZ-CB 4.17Å; F482-I505 HydrophobicContact CZ-CG1 3.78Å; F482-I505 HydrophobicContact CZ-CG2 4.19Å; F482-L508 HydrophobicContact CE1-CB 4.47Å; F482-L508 HydrophobicContact CE1-CD2 3.94Å; F482-L508 HydrophobicContact CE1-CG 4.42Å; F482-L508 HydrophobicContact CE2-CD2 4.25Å; F482-L508 HydrophobicContact CZ-CD2 3.78Å
483	I	97.9	Very high	97.4	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-57.6	-44.2	176.4	-70.2	-62.1	0	0	0	111.3	L407 T479 N480 T487 P488 W489 I505 T509	L407-I483 HydrophobicContact CD1-CG1 3.85Å; T479-I483 PolarHBondContact O-N 2.78Å; T479-I483 VanDerWaalsContact O-N 3.11Å; N480-I483 PolarHBondContact O-N 3.1Å; I483-T487 PolarHBondContact O-N 2.71Å; I483-T487 VanDerWaalsContact O-N 3.09Å; I483-P488 HydrophobicContact CD1-CG 4.39Å; I483-P488 HydrophobicContact CG2-CG 4.15Å; I483-P488 WeakPolarHBondContact O-CD 3.47Å; I483-W489 HydrophobicContact CG2-CH2 4.47Å; I483-W489 HydrophobicContact CG2-CZ3 3.8Å; I483-I505 HydrophobicContact CD1-CG2 3.41Å; I483-I505 VanDerWaalsContact CD1-CG2 3.41Å; I483-T509 HydrophobicContact CD1-CG2 4.22Å; I483-T509 VanDerWaalsContact CD1-OG1 3.23Å; I483-T509 WeakPolarHBondContact CD1-OG1 3.41Å; I483-T509 HydrophobicContact CG1-CG2 4.28Å
484	Q	97.8	Very high	97.1	Very high	104 Å²	104	60.3 Å²	60.3	49%	0.486	27%	0.271	S	S	.	.	H	α-helix	trans	-66.8	-42.3	-178.1	-71.3	-64.9	-9.1	0	0	112.5	N480 G481 F482 H486 T487 W489	N480-Q484 VanDerWaalsContact O-CG 3.32Å; N480-Q484 WeakPolarHBondContact O-CG 3.24Å; N480-Q484 PolarHBondContact O-N 3.5Å; G481-Q484 PolarHBondContact O-N 2.99Å; F482-Q484 VanDerWaalsContact C-N 3.3Å; F482-Q484 PolarHBondContact O-N 3.44Å; Q484-H486 VanDerWaalsContact C-N 3.32Å; Q484-H486 PolarHBondContact O-N 3.06Å; Q484-T487 WeakPolarHBondContact O-CG2 3.34Å; Q484-T487 PolarHBondContact O-N 3.13Å; Q484-W489 VanDerWaalsContact OE1-CH2 3.28Å
485	R	97.7	Very high	96.9	Very high	112 Å²	112	62.2 Å²	62.2	42%	0.423	28%	0.277	S	S	.	.	H	α-helix	trans	-59.6	-43.3	179.3	-176.6	-176.8	-62.8	138.8	-2.5	112.1	E441 D442 G481 F482	E441-R485 VanDerWaalsContact CB-NH1 3.35Å; E441-R485 VanDerWaalsContact CB-NH2 3.29Å; D442-R485 IonicContact OD1-CZ 3.04Å; D442-R485 IonicContact OD1-NH1 3.88Å; D442-R485 PolarHBondContact OD1-NH1 3.45Å; G481-R485 WeakPolarHBondContact O-CB 3.38Å; G481-R485 PolarHBondContact O-N 3.26Å; F482-R485 PolarHBondContact O-N 2.95Å
486	H	97.5	Very high	96.7	Very high	24 Å²	24	65.8 Å²	65.8	11%	0.111	30%	0.302	C	S	.	.	H	α-helix	trans	-89.5	-10.2	-174.7	-68	-64.7	0	0	0	114.1	D442 F482 Q484 W501 I505	D442-H486 IonicContact OD1-NE2 2.69Å; D442-H486 PolarHBondContact OD1-NE2 3.02Å; D442-H486 IonicContact OD2-CD2 2.72Å; D442-H486 IonicContact OD2-CE1 2.78Å; D442-H486 PolarHBondContact OD2-CE1 3.46Å; D442-H486 IonicContact OD2-NE2 3.23Å; D442-H486 PolarHBondContact OD2-NE2 2.84Å; F482-H486 AromaticContact CD2-CD2 3.44Å; F482-H486 VanDerWaalsContact CD2-CD2 3.44Å; F482-H486 WeakPolarHBondContact CD2-CD2 3.37Å; F482-H486 AromaticContact CD2-NE2 3.79Å; F482-H486 AromaticContact CE2-CD2 3.34Å; F482-H486 WeakPolarHBondContact CE2-CD2 3.38Å; F482-H486 AromaticContact CE2-NE2 3.63Å; F482-H486 PolarHBondContact O-CD2 3.33Å; F482-H486 VanDerWaalsContact O-CD2 3.28Å; F482-H486 PolarHBondContact O-N 3Å; Q484-H486 VanDerWaalsContact C-N 3.32Å; Q484-H486 PolarHBondContact O-N 3.06Å; H486-W501 AromaticContact CD2-CZ2 3.98Å; H486-W501 AromaticContact CE1-CZ2 3.57Å; H486-W501 AromaticContact CG-CZ2 3.84Å; H486-W501 AromaticContact ND1-CE2 3.96Å; H486-W501 AromaticContact ND1-CZ2 3.58Å; H486-W501 AromaticContact ND1-NE1 3.69Å; H486-W501 AromaticContact NE2-CZ2 3.81Å; H486-I505 HydrophobicContact CB-CD1 3.65Å; H486-I505 HydrophobicContact CB-CG1 4.45Å
487	T	97	Very high	96.5	Very high	39 Å²	39	71.9 Å²	71.9	24%	0.239	33%	0.328	C	S	.	.			trans	45.2	57.6	175.1	60.2	0	0	0	0	113.5	I483 Q484 W489 K490	I483-T487 PolarHBondContact O-N 2.71Å; I483-T487 VanDerWaalsContact O-N 3.09Å; Q484-T487 WeakPolarHBondContact O-CG2 3.34Å; Q484-T487 PolarHBondContact O-N 3.13Å; T487-W489 HydrophobicContact CG2-CZ2 3.89Å; T487-W489 PolarHBondContact O-N 3.4Å; T487-K490 WeakPolarHBondContact O-CB 3.22Å; T487-K490 PolarHBondContact O-N 2.78Å
488	P	96.6	Very high	96.3	Very high	2 Å²	2	67.5 Å²	67.5	1%	0.013	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-61.3	-21.5	-167.8	27.1	-38.2	0	0	0	113.9	L416 I483 K490 L491 L502 I505	L416-P488 HydrophobicContact CD1-CB 3.97Å; L416-P488 HydrophobicContact CD1-CG 4.25Å; L416-P488 HydrophobicContact CD2-CB 4.32Å; L416-P488 HydrophobicContact CD2-CG 4.02Å; I483-P488 HydrophobicContact CD1-CG 4.39Å; I483-P488 HydrophobicContact CG2-CG 4.15Å; I483-P488 WeakPolarHBondContact O-CD 3.47Å; P488-K490 PolarHBondContact O-N 3.44Å; P488-L491 HydrophobicContact CB-CD1 4.43Å; P488-L491 PolarHBondContact O-N 3.32Å; P488-L502 HydrophobicContact CB-CD1 3.57Å; P488-I505 HydrophobicContact CB-CD1 4.14Å; P488-I505 HydrophobicContact CB-CG2 4.17Å; P488-I505 HydrophobicContact CG-CG2 4.25Å
489	W	95.8	Very high	96.2	Very high	126 Å²	126	65 Å²	65	48%	0.477	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-68.7	-10.6	172.4	53.8	87.5	0	0	0	114.7	I483 Q484 T487	I483-W489 HydrophobicContact CG2-CH2 4.47Å; I483-W489 HydrophobicContact CG2-CZ3 3.8Å; Q484-W489 VanDerWaalsContact OE1-CH2 3.28Å; T487-W489 HydrophobicContact CG2-CZ2 3.89Å; T487-W489 PolarHBondContact O-N 3.4Å
490	K	96.6	Very high	96	Very high	159 Å²	159	70 Å²	70	69%	0.691	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-96.7	-8.9	174.9	-62.4	-173	-179.9	177.2	0	113.4	T487 P488	T487-K490 WeakPolarHBondContact O-CB 3.22Å; T487-K490 PolarHBondContact O-N 2.78Å; P488-K490 PolarHBondContact O-N 3.44Å
491	L	96.1	Very high	96	Very high	35 Å²	35	69.1 Å²	69.1	18%	0.183	32%	0.319	C	S	.	.	S	Bend	trans	-78.5	136.8	-177.3	-62.6	177.2	0	0	0	110.7	P488 R493 D498 W501 L502 I505	P488-L491 HydrophobicContact CB-CD1 4.43Å; P488-L491 PolarHBondContact O-N 3.32Å; L491-R493 PolarHBondContact O-N 2.92Å; L491-D498 HydrophobicContact CB-CB 4.26Å; L491-D498 HydrophobicContact CD2-CB 4.47Å; L491-W501 HydrophobicContact CD1-CG 4.45Å; L491-L502 HydrophobicContact CD1-CB 3.99Å; L491-L502 HydrophobicContact CD1-CD1 4.48Å; L491-I505 HydrophobicContact CD1-CD1 3.94Å
492	D	94.1	Very high	95.9	Very high	60 Å²	60	67.9 Å²	67.9	32%	0.321	31%	0.305	S	S	.	.			trans	-85.7	110.3	176.5	-168.8	-14.3	0	0	0	110.4	R494 D495 D498	D492-R494 PolarHBondContact O-N 3.16Å; D492-R494 VanDerWaalsContact O-N 3.11Å; D492-R494 VanDerWaalsContact OD1-CB 3.3Å; D492-R494 WeakPolarHBondContact OD1-CB 3.27Å; D492-R494 IonicContact OD1-CZ 2.81Å; D492-R494 PolarHBondContact OD1-N 2.99Å; D492-R494 IonicContact OD1-NE 3.92Å; D492-R494 PolarHBondContact OD1-NE 3.48Å; D492-R494 IonicContact OD1-NH2 3.69Å; D492-R494 IonicContact OD2-CZ 3.81Å; D492-R494 IonicContact OD2-NE 3.02Å; D492-R494 PolarHBondContact OD2-NE 3.39Å; D492-R494 IonicContact OD2-NH2 3.28Å; D492-R494 PolarHBondContact OD2-NH2 2.9Å; D492-D495 HydrophobicContact CB-CB 4.48Å; D492-D495 PolarHBondContact O-N 3.11Å; D492-D498 VanDerWaalsContact O-CB 3.3Å; D492-D498 WeakPolarHBondContact O-CB 3.34Å
493	R	91.7	Very high	95.8	Very high	96 Å²	96	69.5 Å²	69.5	36%	0.362	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.6	179.2	-163.6	175.5	-104.7	-83.6	-3.6	113	L416 L491 L502 D503	L416-R493 PolarHBondContact O-NH2 3.4Å; L491-R493 PolarHBondContact O-N 2.92Å; R493-L502 HydrophobicContact CB-CD2 4.39Å; R493-L502 HydrophobicContact CG-CD2 4.34Å; R493-D503 IonicContact CZ-OD1 2.76Å; R493-D503 IonicContact NH1-OD1 3.64Å; R493-D503 PolarHBondContact NH1-OD1 2.79Å; R493-D503 IonicContact NH2-OD1 2.76Å; R493-D503 PolarHBondContact NH2-OD1 3.34Å; R493-D503 VanDerWaalsContact NH2-OD1 3.11Å
494	R	91.9	Very high	95.8	Very high	219 Å²	219	69.4 Å²	69.4	83%	0.826	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-25	175.4	-59.8	169.5	-65.1	-178.9	5.7	112.5	D492	D492-R494 PolarHBondContact O-N 3.16Å; D492-R494 VanDerWaalsContact O-N 3.11Å; D492-R494 VanDerWaalsContact OD1-CB 3.3Å; D492-R494 WeakPolarHBondContact OD1-CB 3.27Å; D492-R494 IonicContact OD1-CZ 2.81Å; D492-R494 PolarHBondContact OD1-N 2.99Å; D492-R494 IonicContact OD1-NE 3.92Å; D492-R494 PolarHBondContact OD1-NE 3.48Å; D492-R494 IonicContact OD1-NH2 3.69Å; D492-R494 IonicContact OD2-CZ 3.81Å; D492-R494 IonicContact OD2-NE 3.02Å; D492-R494 PolarHBondContact OD2-NE 3.39Å; D492-R494 IonicContact OD2-NH2 3.28Å; D492-R494 PolarHBondContact OD2-NH2 2.9Å
495	D	95.9	Very high	95.8	Very high	69 Å²	69	64.4 Å²	64.4	37%	0.369	29%	0.29	S	S	.	.	S	Bend	trans	-76.6	129.9	171.1	174.4	-91.9	0	0	0	109.6	D492 K497 D498 G499	D492-D495 HydrophobicContact CB-CB 4.48Å; D492-D495 PolarHBondContact O-N 3.11Å; D495-K497 VanDerWaalsContact C-N 3.3Å; D495-K497 PolarHBondContact O-N 2.54Å; D495-K497 WeakPolarHBondContact OD1-CA 3.32Å; D495-K497 WeakPolarHBondContact OD1-CB 3.31Å; D495-K497 PolarHBondContact OD1-N 3.17Å; D495-D498 HydrophobicContact CB-CB 4.06Å; D495-D498 PolarHBondContact O-N 2.83Å; D495-D498 PolarHBondContact OD1-N 2.8Å; D495-G499 PolarHBondContact O-N 2.71Å
496	S	93.6	Very high	95.8	Very high	78 Å²	78	59.1 Å²	59.1	55%	0.545	27%	0.269	S	S	.	.	H	α-helix	trans	-64.4	-33.5	-173	-170.2	0	0	0	0	112.8	R500	S496-R500 WeakPolarHBondContact O-CG 3.48Å; S496-R500 VanDerWaalsContact O-CZ 3.29Å; S496-R500 PolarHBondContact O-N 3.11Å; S496-R500 PolarHBondContact O-NH1 3.29Å; S496-R500 PolarHBondContact OG-NH1 2.87Å
497	K	93.9	Very high	95.8	Very high	134 Å²	134	58 Å²	58	58%	0.583	26%	0.264	S	S	*	.	H	α-helix	trans	-79.4	-41.7	-179.6	-63.6	179.5	178	176.7	0	110.7	R437 D495 W501	R437-K497 VanDerWaalsContact NH2-CB 3.28Å; D495-K497 VanDerWaalsContact C-N 3.3Å; D495-K497 PolarHBondContact O-N 2.54Å; D495-K497 WeakPolarHBondContact OD1-CA 3.32Å; D495-K497 WeakPolarHBondContact OD1-CB 3.31Å; D495-K497 PolarHBondContact OD1-N 3.17Å; K497-W501 PolarHBondContact O-N 3.41Å
498	D	95.7	Very high	95.8	Very high	37 Å²	37	56.1 Å²	56.1	20%	0.198	25%	0.253	C	S	.	.	H	α-helix	trans	-67.8	-42.3	176.9	-77.6	4.2	0	0	0	112.2	R437 L491 D492 D495 R500 W501 L502	R437-D498 IonicContact CZ-OD1 3.81Å; R437-D498 VanDerWaalsContact CZ-OD1 3.23Å; R437-D498 IonicContact NH1-OD1 3.81Å; R437-D498 PolarHBondContact NH1-OD1 3.49Å; R437-D498 IonicContact NH2-OD1 3.82Å; R437-D498 PolarHBondContact NH2-OD1 3.25Å; L491-D498 HydrophobicContact CB-CB 4.26Å; L491-D498 HydrophobicContact CD2-CB 4.47Å; D492-D498 VanDerWaalsContact O-CB 3.3Å; D492-D498 WeakPolarHBondContact O-CB 3.34Å; D495-D498 HydrophobicContact CB-CB 4.06Å; D495-D498 PolarHBondContact O-N 2.83Å; D495-D498 PolarHBondContact OD1-N 2.8Å; D498-R500 PolarHBondContact O-N 2.72Å; D498-W501 PolarHBondContact O-N 3.26Å; D498-W501 VanDerWaalsContact O-N 3.15Å; D498-L502 WeakPolarHBondContact O-CB 3.37Å; D498-L502 PolarHBondContact O-N 2.91Å
499	G	95.8	Very high	95.9	Very high	9 Å²	9	56 Å²	56	9%	0.093	25%	0.252	C	S	.	.	H	α-helix	trans	-57.1	-49.2	173.6	0	0	0	0	0	112.2	D495 W501 L502 D503	D495-G499 PolarHBondContact O-N 2.71Å; G499-W501 VanDerWaalsContact C-N 3.29Å; G499-W501 PolarHBondContact O-N 2.89Å; G499-L502 PolarHBondContact O-N 3.33Å; G499-D503 WeakPolarHBondContact O-CB 3.45Å; G499-D503 PolarHBondContact O-N 3.42Å
500	R	95.5	Very high	96	Very high	104 Å²	104	50 Å²	50	39%	0.392	23%	0.229	S	C	.	.	H	α-helix	trans	-62.2	-35.2	175.5	-75	-166.8	-58.6	-85.1	-2.7	113	C426 S496 D498 T504	C426-R500 HydrophobicContact CB-CB 4.19Å; S496-R500 WeakPolarHBondContact O-CG 3.48Å; S496-R500 VanDerWaalsContact O-CZ 3.29Å; S496-R500 PolarHBondContact O-N 3.11Å; S496-R500 PolarHBondContact O-NH1 3.29Å; S496-R500 PolarHBondContact OG-NH1 2.87Å; D498-R500 PolarHBondContact O-N 2.72Å; R500-T504 WeakPolarHBondContact O-CB 3.41Å; R500-T504 PolarHBondContact O-N 3.28Å; R500-T504 VanDerWaalsContact O-N 3.09Å; R500-T504 PolarHBondContact O-OG1 3.14Å
501	W	97.1	Very high	96.1	Very high	8 Å²	8	42.5 Å²	42.5	3%	0.03	20%	0.197	C	C	.	.	H	α-helix	trans	-71.3	-44.4	177.8	-174.8	-132.5	0	0	0	112	F430 R437 A438 F482 H486 L491 K497 D498 G499 D503 T504 I505	F430-W501 HydrophobicContact CB-CZ3 4.25Å; F430-W501 AromaticContact CD2-CH2 3.86Å; F430-W501 HydrophobicContact CD2-CH2 3.86Å; F430-W501 AromaticContact CD2-CZ3 3.89Å; F430-W501 HydrophobicContact CD2-CZ3 3.89Å; F430-W501 HydrophobicContact CE2-CH2 4.46Å; R437-W501 HydrophobicContact CB-CD2 3.99Å; R437-W501 HydrophobicContact CB-CE3 4.31Å; R437-W501 HydrophobicContact CB-CG 4.48Å; R437-W501 HydrophobicContact CB-CH2 4.39Å; R437-W501 HydrophobicContact CB-CZ2 4.08Å; R437-W501 HydrophobicContact CB-CZ3 4.49Å; A438-W501 HydrophobicContact CB-CH2 3.97Å; F482-W501 HydrophobicContact CE2-CH2 4.39Å; H486-W501 AromaticContact CD2-CZ2 3.98Å; H486-W501 AromaticContact CE1-CZ2 3.57Å; H486-W501 AromaticContact CG-CZ2 3.84Å; H486-W501 AromaticContact ND1-CE2 3.96Å; H486-W501 AromaticContact ND1-CZ2 3.58Å; H486-W501 AromaticContact ND1-NE1 3.69Å; H486-W501 AromaticContact NE2-CZ2 3.81Å; L491-W501 HydrophobicContact CD1-CG 4.45Å; K497-W501 PolarHBondContact O-N 3.41Å; D498-W501 PolarHBondContact O-N 3.26Å; D498-W501 VanDerWaalsContact O-N 3.15Å; G499-W501 VanDerWaalsContact C-N 3.29Å; G499-W501 PolarHBondContact O-N 2.89Å; W501-D503 VanDerWaalsContact C-N 3.33Å; W501-D503 PolarHBondContact O-N 2.81Å; W501-T504 HydrophobicContact CE3-CG2 4.07Å; W501-T504 HydrophobicContact CZ3-CG2 3.82Å; W501-T504 WeakPolarHBondContact O-CB 3.25Å; W501-T504 PolarHBondContact O-N 3.31Å; W501-T504 VanDerWaalsContact O-N 3.15Å; W501-I505 HydrophobicContact CD2-CD1 4.14Å; W501-I505 HydrophobicContact CD2-CG1 4.13Å; W501-I505 HydrophobicContact CG-CD1 4.16Å; W501-I505 HydrophobicContact CH2-CG1 4.47Å; W501-I505 HydrophobicContact CZ2-CD1 4.27Å; W501-I505 HydrophobicContact CZ2-CG1 4.04Å; W501-I505 VanDerWaalsContact O-CG1 3.32Å; W501-I505 WeakPolarHBondContact O-CG1 3.24Å; W501-I505 PolarHBondContact O-N 3.32Å
502	L	97.1	Very high	96.2	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-55.5	-48.9	173.9	176	60.2	0	0	0	111.3	L416 P488 L491 R493 D498 G499 T504 I505 I506	L416-L502 HydrophobicContact CD1-CD1 3.79Å; L416-L502 HydrophobicContact CG-CD1 4.03Å; P488-L502 HydrophobicContact CB-CD1 3.57Å; L491-L502 HydrophobicContact CD1-CB 3.99Å; L491-L502 HydrophobicContact CD1-CD1 4.48Å; R493-L502 HydrophobicContact CB-CD2 4.39Å; R493-L502 HydrophobicContact CG-CD2 4.34Å; D498-L502 WeakPolarHBondContact O-CB 3.37Å; D498-L502 PolarHBondContact O-N 2.91Å; G499-L502 PolarHBondContact O-N 3.33Å; L502-T504 VanDerWaalsContact C-N 3.31Å; L502-T504 PolarHBondContact O-N 3.34Å; L502-I505 PolarHBondContact O-N 3.39Å; L502-I506 HydrophobicContact CD1-CD1 3.84Å; L502-I506 HydrophobicContact CD1-CG1 4.25Å; L502-I506 HydrophobicContact CG-CD1 3.93Å; L502-I506 WeakPolarHBondContact O-CG1 3.29Å; L502-I506 PolarHBondContact O-N 3.4Å
503	D	96.4	Very high	96.4	Very high	36 Å²	36	38 Å²	38	19%	0.193	17%	0.173	C	C	.	.	H	α-helix	trans	-61.2	-40.3	177.7	-75.8	-13.1	0	0	0	111.5	P423 R493 G499 W501 I506 H507	P423-D503 HydrophobicContact CB-CB 3.77Å; P423-D503 HydrophobicContact CG-CB 4.39Å; P423-D503 WeakPolarHBondContact CG-O 3.34Å; R493-D503 IonicContact CZ-OD1 2.76Å; R493-D503 IonicContact NH1-OD1 3.64Å; R493-D503 PolarHBondContact NH1-OD1 2.79Å; R493-D503 IonicContact NH2-OD1 2.76Å; R493-D503 PolarHBondContact NH2-OD1 3.34Å; R493-D503 VanDerWaalsContact NH2-OD1 3.11Å; G499-D503 WeakPolarHBondContact O-CB 3.45Å; G499-D503 PolarHBondContact O-N 3.42Å; W501-D503 VanDerWaalsContact C-N 3.33Å; W501-D503 PolarHBondContact O-N 2.81Å; D503-I506 PolarHBondContact O-N 3.46Å; D503-H507 VanDerWaalsContact O-CB 3.27Å; D503-H507 WeakPolarHBondContact O-CB 3.5Å; D503-H507 PolarHBondContact O-N 3.1Å
504	T	97.1	Very high	96.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.9	-43	175.3	-57	0	0	0	0	112.4	F425 C426 F430 R500 W501 L502 H507 L508	F425-T504 HydrophobicContact CD2-CG2 3.78Å; F425-T504 HydrophobicContact CE2-CG2 3.57Å; F425-T504 HydrophobicContact CZ-CG2 4.2Å; C426-T504 VanDerWaalsContact CB-OG1 3.27Å; C426-T504 WeakPolarHBondContact CB-OG1 3.44Å; C426-T504 PolarHBondContact N-OG1 2.87Å; C426-T504 VanDerWaalsContact N-OG1 3.1Å; F430-T504 HydrophobicContact CB-CG2 3.97Å; R500-T504 WeakPolarHBondContact O-CB 3.41Å; R500-T504 PolarHBondContact O-N 3.28Å; R500-T504 VanDerWaalsContact O-N 3.09Å; R500-T504 PolarHBondContact O-OG1 3.14Å; W501-T504 HydrophobicContact CE3-CG2 4.07Å; W501-T504 HydrophobicContact CZ3-CG2 3.82Å; W501-T504 WeakPolarHBondContact O-CB 3.25Å; W501-T504 PolarHBondContact O-N 3.31Å; W501-T504 VanDerWaalsContact O-N 3.15Å; L502-T504 VanDerWaalsContact C-N 3.31Å; L502-T504 PolarHBondContact O-N 3.34Å; T504-H507 PolarHBondContact O-N 3.04Å; T504-L508 WeakPolarHBondContact O-CB 3.43Å; T504-L508 PolarHBondContact O-N 3.4Å
505	I	97.9	Very high	97	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.7	-48.2	177.1	-70.7	166.1	0	0	0	110.6	F482 I483 H486 P488 L491 W501 L502 T509	F482-I505 HydrophobicContact CD1-CG2 4.5Å; F482-I505 HydrophobicContact CE1-CB 4.1Å; F482-I505 HydrophobicContact CE1-CG1 4.18Å; F482-I505 HydrophobicContact CE1-CG2 3.72Å; F482-I505 HydrophobicContact CZ-CB 4.17Å; F482-I505 HydrophobicContact CZ-CG1 3.78Å; F482-I505 HydrophobicContact CZ-CG2 4.19Å; I483-I505 HydrophobicContact CD1-CG2 3.41Å; I483-I505 VanDerWaalsContact CD1-CG2 3.41Å; H486-I505 HydrophobicContact CB-CD1 3.65Å; H486-I505 HydrophobicContact CB-CG1 4.45Å; P488-I505 HydrophobicContact CB-CD1 4.14Å; P488-I505 HydrophobicContact CB-CG2 4.17Å; P488-I505 HydrophobicContact CG-CG2 4.25Å; L491-I505 HydrophobicContact CD1-CD1 3.94Å; W501-I505 HydrophobicContact CD2-CD1 4.14Å; W501-I505 HydrophobicContact CD2-CG1 4.13Å; W501-I505 HydrophobicContact CG-CD1 4.16Å; W501-I505 HydrophobicContact CH2-CG1 4.47Å; W501-I505 HydrophobicContact CZ2-CD1 4.27Å; W501-I505 HydrophobicContact CZ2-CG1 4.04Å; W501-I505 VanDerWaalsContact O-CG1 3.32Å; W501-I505 WeakPolarHBondContact O-CG1 3.24Å; W501-I505 PolarHBondContact O-N 3.32Å; L502-I505 PolarHBondContact O-N 3.39Å; I505-T509 WeakPolarHBondContact O-CB 3.3Å; I505-T509 PolarHBondContact O-N 2.92Å; I505-T509 PolarHBondContact O-OG1 3.41Å
506	I	97.9	Very high	97.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.3	-48.3	-179.3	-64.6	165.4	0	0	0	109.5	L416 N417 P423 L502 D503 L508 T509 L510	L416-I506 HydrophobicContact CD2-CG1 4.24Å; L416-I506 HydrophobicContact CG-CD1 4.06Å; L416-I506 HydrophobicContact CG-CG1 4.33Å; L416-I506 VanDerWaalsContact O-CD1 3.29Å; L416-I506 WeakPolarHBondContact O-CD1 3.4Å; N417-I506 HydrophobicContact CB-CD1 4.32Å; P423-I506 HydrophobicContact CG-CB 3.73Å; P423-I506 HydrophobicContact CG-CG2 3.61Å; L502-I506 HydrophobicContact CD1-CD1 3.84Å; L502-I506 HydrophobicContact CD1-CG1 4.25Å; L502-I506 HydrophobicContact CG-CD1 3.93Å; L502-I506 WeakPolarHBondContact O-CG1 3.29Å; L502-I506 PolarHBondContact O-N 3.4Å; D503-I506 PolarHBondContact O-N 3.46Å; I506-L508 PolarHBondContact O-N 3.16Å; I506-T509 PolarHBondContact O-N 2.93Å; I506-T509 VanDerWaalsContact O-N 3.13Å; I506-L510 HydrophobicContact CG2-CD1 3.8Å; I506-L510 HydrophobicContact CG2-CG 4.09Å; I506-L510 VanDerWaalsContact O-CG 3.31Å; I506-L510 WeakPolarHBondContact O-CG 3.42Å; I506-L510 PolarHBondContact O-N 3.3Å
507	H	97.5	Very high	97.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-53.3	-53.2	178.2	-178.4	104.8	0	0	0	111.6	P423 F425 D503 T504 T509 L510 E511	P423-H507 HydrophobicContact CG-CB 4.29Å; P423-H507 PolarHBondContact O-ND1 3.4Å; F425-H507 HydrophobicContact CB-CB 4.45Å; F425-H507 HydrophobicContact CD2-CB 4.44Å; F425-H507 AromaticContact CD2-CD2 3.65Å; D503-H507 VanDerWaalsContact O-CB 3.27Å; D503-H507 WeakPolarHBondContact O-CB 3.5Å; D503-H507 PolarHBondContact O-N 3.1Å; T504-H507 PolarHBondContact O-N 3.04Å; H507-T509 VanDerWaalsContact C-N 3.27Å; H507-T509 PolarHBondContact O-N 3.32Å; H507-L510 PolarHBondContact O-N 3.01Å; H507-E511 PolarHBondContact O-N 3.05Å
508	L	97.6	Very high	97.5	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.2	-40.8	179.8	178.5	58.1	0	0	0	111.7	F430 M445 V446 F482 T504 I506 E511 C512 F549 L550	F430-L508 HydrophobicContact CE2-CD2 4.03Å; F430-L508 HydrophobicContact CZ-CD2 4.47Å; M445-L508 HydrophobicContact CE-CD2 3.64Å; M445-L508 HydrophobicContact CE-CG 4.13Å; V446-L508 HydrophobicContact CG2-CD1 3.97Å; V446-L508 HydrophobicContact CG2-CD2 4.08Å; F482-L508 HydrophobicContact CE1-CB 4.47Å; F482-L508 HydrophobicContact CE1-CD2 3.94Å; F482-L508 HydrophobicContact CE1-CG 4.42Å; F482-L508 HydrophobicContact CE2-CD2 4.25Å; F482-L508 HydrophobicContact CZ-CD2 3.78Å; T504-L508 WeakPolarHBondContact O-CB 3.43Å; T504-L508 PolarHBondContact O-N 3.4Å; I506-L508 PolarHBondContact O-N 3.16Å; L508-E511 PolarHBondContact O-N 2.87Å; L508-C512 PolarHBondContact O-N 3.2Å; L508-C512 PolarHBondContact O-SG 2.78Å; L508-F549 HydrophobicContact CD1-CE2 4.4Å; L508-F549 HydrophobicContact CD1-CZ 3.89Å; L508-L550 HydrophobicContact CB-CD1 4.49Å; L508-L550 HydrophobicContact CD1-CD1 3.63Å; L508-L550 HydrophobicContact CD1-CD2 3.62Å; L508-L550 HydrophobicContact CD1-CG 4.2Å
509	T	98.5	Very high	97.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-67.7	-40.8	179.7	-57.4	0	0	0	0	112.3	L407 C411 T479 I483 I505 I506 H507 C512 L513	L407-T509 HydrophobicContact CD1-CG2 3.69Å; L407-T509 HydrophobicContact CD2-CG2 4.42Å; L407-T509 HydrophobicContact CG-CG2 4.01Å; C411-T509 HydrophobicContact CB-CG2 3.84Å; T479-T509 HydrophobicContact CG2-CG2 3.97Å; I483-T509 HydrophobicContact CD1-CG2 4.22Å; I483-T509 VanDerWaalsContact CD1-OG1 3.23Å; I483-T509 WeakPolarHBondContact CD1-OG1 3.41Å; I483-T509 HydrophobicContact CG1-CG2 4.28Å; I505-T509 WeakPolarHBondContact O-CB 3.3Å; I505-T509 PolarHBondContact O-N 2.92Å; I505-T509 PolarHBondContact O-OG1 3.41Å; I506-T509 PolarHBondContact O-N 2.93Å; I506-T509 VanDerWaalsContact O-N 3.13Å; H507-T509 VanDerWaalsContact C-N 3.27Å; H507-T509 PolarHBondContact O-N 3.32Å; T509-C512 PolarHBondContact O-N 2.84Å; T509-L513 HydrophobicContact CG2-CD1 4.21Å; T509-L513 WeakPolarHBondContact O-CG 3.48Å; T509-L513 PolarHBondContact O-N 3.38Å
510	L	98.1	Very high	97.8	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-66.3	-38.8	176.4	-64	175.6	0	0	0	111.4	C411 T412 Y422 I506 H507 L513 R514 L535 L565	C411-L510 HydrophobicContact CB-CD2 4.24Å; T412-L510 HydrophobicContact CG2-CD2 4.04Å; Y422-L510 HydrophobicContact CD1-CB 4.14Å; Y422-L510 HydrophobicContact CD1-CD1 4.13Å; Y422-L510 HydrophobicContact CD2-CD1 4.13Å; Y422-L510 HydrophobicContact CE1-CB 3.58Å; Y422-L510 HydrophobicContact CE1-CD1 4.29Å; Y422-L510 HydrophobicContact CE2-CB 4.41Å; Y422-L510 HydrophobicContact CE2-CD1 4.22Å; Y422-L510 HydrophobicContact CG-CD1 4.06Å; I506-L510 HydrophobicContact CG2-CD1 3.8Å; I506-L510 HydrophobicContact CG2-CG 4.09Å; I506-L510 VanDerWaalsContact O-CG 3.31Å; I506-L510 WeakPolarHBondContact O-CG 3.42Å; I506-L510 PolarHBondContact O-N 3.3Å; H507-L510 PolarHBondContact O-N 3.01Å; L510-L513 PolarHBondContact O-N 2.63Å; L510-R514 PolarHBondContact O-N 2.87Å; L510-L535 HydrophobicContact CD2-CD2 3.56Å; L510-L565 HydrophobicContact CD1-CD2 4.24Å
511	E	97.5	Very high	97.9	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.005	2%	0.024	C	C	.	.	H	α-helix	trans	-63.6	-43.9	173.2	-81.2	-67.2	96.9	0	0	112.1	H507 L508 L513 R514 V515 F549 L550	H507-E511 PolarHBondContact O-N 3.05Å; L508-E511 PolarHBondContact O-N 2.87Å; E511-L513 PolarHBondContact O-N 3.09Å; E511-R514 PolarHBondContact O-N 3.3Å; E511-R514 IonicContact OE1-CZ 2.85Å; E511-R514 IonicContact OE1-NE 2.69Å; E511-R514 PolarHBondContact OE1-NE 3.46Å; E511-R514 IonicContact OE1-NH2 2.68Å; E511-R514 PolarHBondContact OE1-NH2 3.18Å; E511-R514 IonicContact OE2-CZ 3.81Å; E511-R514 IonicContact OE2-NE 2.75Å; E511-R514 IonicContact OE2-NH2 2.69Å; E511-R514 PolarHBondContact OE2-NH2 2.76Å; E511-V515 WeakPolarHBondContact O-CG2 3.38Å; E511-V515 PolarHBondContact O-N 2.9Å; E511-V515 VanDerWaalsContact O-N 3.08Å; E511-F549 HydrophobicContact CB-CD2 4.13Å; E511-F549 HydrophobicContact CB-CE2 3.92Å; E511-L550 HydrophobicContact CG-CD1 4.49Å; E511-L550 PolarHBondContact OE2-N 2.88Å; E511-L550 VanDerWaalsContact OE2-N 3.15Å
512	C	98.5	Very high	98	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-57.6	-47.9	173	-74.4	0	0	0	0	111.5	T479 L508 T509 R514 V515 Y516	T479-C512 HydrophobicContact CG2-CB 4.04Å; L508-C512 PolarHBondContact O-N 3.2Å; L508-C512 PolarHBondContact O-SG 2.78Å; T509-C512 PolarHBondContact O-N 2.84Å; C512-R514 VanDerWaalsContact C-N 3.32Å; C512-R514 PolarHBondContact O-N 3.26Å; C512-V515 PolarHBondContact O-N 2.75Å; C512-Y516 HydrophobicContact CB-CE2 3.82Å; C512-Y516 VanDerWaalsContact O-CD1 3.28Å; C512-Y516 WeakPolarHBondContact O-CD1 3.46Å; C512-Y516 VanDerWaalsContact O-CD2 3.22Å; C512-Y516 WeakPolarHBondContact O-CD2 3.18Å; C512-Y516 PolarHBondContact O-N 3.43Å
513	L	98.6	Very high	98	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-62.1	-38.3	178.6	-74.8	164.5	0	0	0	112.2	L404 L407 L408 C411 T509 L510 E511 Y516 G517 L531 L535	L404-L513 HydrophobicContact CD1-CD2 3.84Å; L407-L513 HydrophobicContact CD2-CD2 3.94Å; L407-L513 HydrophobicContact CD2-CG 4.24Å; L407-L513 HydrophobicContact CG-CD1 4.35Å; L407-L513 HydrophobicContact CG-CD2 4.18Å; L407-L513 HydrophobicContact CG-CG 4.42Å; L408-L513 HydrophobicContact CB-CD1 4.27Å; L408-L513 HydrophobicContact CB-CD2 4.37Å; L408-L513 HydrophobicContact CD1-CD1 3.95Å; C411-L513 WeakPolarHBondContact SG-CD1 3.01Å; T509-L513 HydrophobicContact CG2-CD1 4.21Å; T509-L513 WeakPolarHBondContact O-CG 3.48Å; T509-L513 PolarHBondContact O-N 3.38Å; L510-L513 PolarHBondContact O-N 2.63Å; E511-L513 PolarHBondContact O-N 3.09Å; L513-Y516 HydrophobicContact CD2-CD2 4.46Å; L513-Y516 PolarHBondContact O-N 3.06Å; L513-G517 PolarHBondContact O-N 3.35Å; L513-L531 HydrophobicContact CB-CD2 4.39Å; L513-L531 HydrophobicContact CD2-CD1 4.48Å; L513-L531 WeakPolarHBondContact O-CD2 3.2Å; L513-L535 HydrophobicContact CB-CD1 3.82Å
514	R	97.9	Very high	98.1	Very high	2 Å²	2	2.5 Å²	2.5	1%	0.008	1%	0.012	C	C	.	.	H	α-helix	trans	-60.7	-45.7	175.1	-177.5	178.7	67.5	83.2	0.4	111.4	L510 E511 C512 T518 L532 L535 V537 D546 D548	L510-R514 PolarHBondContact O-N 2.87Å; E511-R514 PolarHBondContact O-N 3.3Å; E511-R514 IonicContact OE1-CZ 2.85Å; E511-R514 IonicContact OE1-NE 2.69Å; E511-R514 PolarHBondContact OE1-NE 3.46Å; E511-R514 IonicContact OE1-NH2 2.68Å; E511-R514 PolarHBondContact OE1-NH2 3.18Å; E511-R514 IonicContact OE2-CZ 3.81Å; E511-R514 IonicContact OE2-NE 2.75Å; E511-R514 IonicContact OE2-NH2 2.69Å; E511-R514 PolarHBondContact OE2-NH2 2.76Å; C512-R514 VanDerWaalsContact C-N 3.32Å; C512-R514 PolarHBondContact O-N 3.26Å; R514-T518 WeakPolarHBondContact O-CB 3.47Å; R514-T518 PolarHBondContact O-N 3.37Å; R514-T518 PolarHBondContact O-OG1 3.07Å; R514-L532 HydrophobicContact CG-CD2 4.29Å; R514-L535 HydrophobicContact CB-CD1 4.02Å; R514-V537 HydrophobicContact CG-CG2 3.93Å; R514-D546 PolarHBondContact NH1-O 3.08Å; R514-D548 IonicContact CZ-OD1 3.17Å; R514-D548 VanDerWaalsContact CZ-OD1 3.31Å; R514-D548 IonicContact NH1-OD1 3.51Å; R514-D548 PolarHBondContact NH1-OD1 3.14Å; R514-D548 PolarHBondContact NH2-O 3.18Å; R514-D548 IonicContact NH2-OD1 3.11Å; R514-D548 PolarHBondContact NH2-OD1 3.48Å
515	V	98.3	Very high	98.1	Very high	1 Å²	1	3.6 Å²	3.6	1%	0.006	2%	0.019	C	C	.	.	H	α-helix	trans	-60.3	-48.2	175	172.5	0	0	0	0	110.6	V449 L452 E511 C512 T518 L519 L547 F549	V449-V515 HydrophobicContact CG1-CB 4.44Å; V449-V515 HydrophobicContact CG1-CG1 4.32Å; L452-V515 HydrophobicContact CD2-CG1 4.29Å; E511-V515 WeakPolarHBondContact O-CG2 3.38Å; E511-V515 PolarHBondContact O-N 2.9Å; E511-V515 VanDerWaalsContact O-N 3.08Å; C512-V515 PolarHBondContact O-N 2.75Å; V515-T518 PolarHBondContact O-N 3.15Å; V515-L519 HydrophobicContact CG1-CD1 3.84Å; V515-L519 HydrophobicContact CG1-CG 4.48Å; V515-L519 WeakPolarHBondContact O-CG 3.34Å; V515-L519 PolarHBondContact O-N 3.44Å; V515-L547 HydrophobicContact CG1-CD2 4.16Å; V515-L547 HydrophobicContact CG2-CD2 4.42Å; V515-F549 HydrophobicContact CG2-CB 4.16Å; V515-F549 HydrophobicContact CG2-CD2 3.78Å; V515-F549 HydrophobicContact CG2-CG 4.29Å
516	Y	98.6	Very high	98	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62.6	-47.7	-179.2	-52.9	-25.3	0	0	0	112.1	L404 V449 L452 I472 C475 V476 T479 C512 L513 T518 L519 L520	L404-Y516 HydrophobicContact CD1-CD2 4.47Å; V449-Y516 HydrophobicContact CG1-CE1 4.28Å; V449-Y516 HydrophobicContact CG2-CE1 4.19Å; V449-Y516 VanDerWaalsContact CG2-OH 3.31Å; V449-Y516 WeakPolarHBondContact CG2-OH 3.34Å; L452-Y516 HydrophobicContact CD2-CD1 3.79Å; L452-Y516 HydrophobicContact CD2-CE1 3.76Å; I472-Y516 HydrophobicContact CG2-CD1 4.38Å; I472-Y516 HydrophobicContact CG2-CG 4.41Å; C475-Y516 VanDerWaalsContact C-OH 3.31Å; C475-Y516 HydrophobicContact CB-CD1 4.49Å; C475-Y516 HydrophobicContact CB-CE1 3.52Å; C475-Y516 WeakPolarHBondContact CB-OH 3.46Å; C475-Y516 PolarHBondContact O-OH 3.15Å; C475-Y516 VanDerWaalsContact O-OH 3.11Å; V476-Y516 HydrophobicContact CB-CE2 4.35Å; V476-Y516 HydrophobicContact CG2-CD2 3.45Å; V476-Y516 VanDerWaalsContact CG2-CD2 3.45Å; V476-Y516 HydrophobicContact CG2-CE2 3.67Å; V476-Y516 HydrophobicContact CG2-CG 3.99Å; T479-Y516 PolarHBondContact OG1-OH 3.29Å; C512-Y516 HydrophobicContact CB-CE2 3.82Å; C512-Y516 VanDerWaalsContact O-CD1 3.28Å; C512-Y516 WeakPolarHBondContact O-CD1 3.46Å; C512-Y516 VanDerWaalsContact O-CD2 3.22Å; C512-Y516 WeakPolarHBondContact O-CD2 3.18Å; C512-Y516 PolarHBondContact O-N 3.43Å; L513-Y516 HydrophobicContact CD2-CD2 4.46Å; L513-Y516 PolarHBondContact O-N 3.06Å; Y516-T518 VanDerWaalsContact C-N 3.28Å; Y516-T518 PolarHBondContact O-N 3.42Å; Y516-L519 PolarHBondContact O-N 2.76Å; Y516-L520 VanDerWaalsContact O-CB 3.3Å; Y516-L520 WeakPolarHBondContact O-CB 3.33Å; Y516-L520 WeakPolarHBondContact O-CG 3.22Å; Y516-L520 PolarHBondContact O-N 3.34Å
517	G	98.3	Very high	98	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-57.7	-43.1	177.2	0	0	0	0	0	111.7	L513 L519 L520 Q521 S528	L513-G517 PolarHBondContact O-N 3.35Å; G517-L519 PolarHBondContact O-N 3.11Å; G517-L520 PolarHBondContact O-N 3.09Å; G517-Q521 WeakPolarHBondContact O-CG 3.18Å; G517-Q521 PolarHBondContact O-N 2.89Å; G517-S528 WeakPolarHBondContact O-CB 3.28Å; G517-S528 PolarHBondContact O-OG 3.24Å
518	T	98.3	Very high	98	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.006	4%	0.039	C	C	.	.	H	α-helix	trans	-64.3	-43.7	-179.9	-54.3	0	0	0	0	111.8	L83 R514 V515 Y516 L520 Q521 L547	L83-T518 HydrophobicContact CD1-CG2 4.23Å; R514-T518 WeakPolarHBondContact O-CB 3.47Å; R514-T518 PolarHBondContact O-N 3.37Å; R514-T518 PolarHBondContact O-OG1 3.07Å; V515-T518 PolarHBondContact O-N 3.15Å; Y516-T518 VanDerWaalsContact C-N 3.28Å; Y516-T518 PolarHBondContact O-N 3.42Å; T518-L520 VanDerWaalsContact C-N 3.32Å; T518-L520 PolarHBondContact O-N 2.81Å; T518-Q521 WeakPolarHBondContact O-CG 3.48Å; T518-Q521 PolarHBondContact O-N 3.34Å; T518-Q521 PolarHBondContact O-NE2 3.16Å; T518-L547 HydrophobicContact CG2-CD1 3.74Å; T518-L547 HydrophobicContact CG2-CG 4.44Å
519	L	98.5	Very high	98	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-74.3	-20	179.8	-64.6	175.4	0	0	0	114	L452 V456 Y460 I472 V515 Y516 G517 P522 W544 L547	L452-L519 HydrophobicContact CB-CD1 4.49Å; L452-L519 HydrophobicContact CD2-CD1 3.84Å; L452-L519 HydrophobicContact CG-CD1 3.74Å; V456-L519 HydrophobicContact CB-CD1 4.45Å; V456-L519 HydrophobicContact CB-CD2 4.46Å; V456-L519 HydrophobicContact CG1-CB 4.45Å; V456-L519 HydrophobicContact CG1-CD2 4.05Å; V456-L519 HydrophobicContact CG2-CD1 4.17Å; Y460-L519 PolarHBondContact OH-O 3.39Å; I472-L519 HydrophobicContact CD1-CB 3.87Å; I472-L519 HydrophobicContact CG1-CB 4.48Å; V515-L519 HydrophobicContact CG1-CD1 3.84Å; V515-L519 HydrophobicContact CG1-CG 4.48Å; V515-L519 WeakPolarHBondContact O-CG 3.34Å; V515-L519 PolarHBondContact O-N 3.44Å; Y516-L519 PolarHBondContact O-N 2.76Å; G517-L519 PolarHBondContact O-N 3.11Å; L519-P522 WeakPolarHBondContact O-CD 3.42Å; L519-W544 HydrophobicContact CD2-CE3 4.38Å; L519-W544 HydrophobicContact CD2-CZ3 3.62Å; L519-L547 HydrophobicContact CD2-CD1 3.47Å; L519-L547 VanDerWaalsContact CD2-CD1 3.47Å; L519-L547 HydrophobicContact CG-CD1 3.85Å
520	L	98.6	Very high	97.9	Very high	5 Å²	5	13.8 Å²	13.8	3%	0.026	7%	0.067	C	C	.	.	H	α-helix	trans	-86.1	-14.4	177.4	-76.2	171.6	0	0	0	113.6	Y373 L404 L469 I472 Y516 G517 T518 P522 V523 V524 S528	Y373-L520 HydrophobicContact CE2-CD2 4.32Å; L404-L520 HydrophobicContact CD2-CD1 3.83Å; L469-L520 HydrophobicContact CD2-CD2 3.47Å; L469-L520 VanDerWaalsContact CD2-CD2 3.47Å; I472-L520 HydrophobicContact CD1-CD2 4.06Å; I472-L520 HydrophobicContact CD1-CG 4.29Å; I472-L520 HydrophobicContact CG2-CD1 4.24Å; I472-L520 HydrophobicContact CG2-CD2 4.28Å; I472-L520 HydrophobicContact CG2-CG 4.18Å; Y516-L520 VanDerWaalsContact O-CB 3.3Å; Y516-L520 WeakPolarHBondContact O-CB 3.33Å; Y516-L520 WeakPolarHBondContact O-CG 3.22Å; Y516-L520 PolarHBondContact O-N 3.34Å; G517-L520 PolarHBondContact O-N 3.09Å; T518-L520 VanDerWaalsContact C-N 3.32Å; T518-L520 PolarHBondContact O-N 2.81Å; L520-P522 VanDerWaalsContact C-N 3.29Å; L520-P522 VanDerWaalsContact O-N 3.16Å; L520-V523 PolarHBondContact O-N 2.92Å; L520-V524 HydrophobicContact CB-CG2 3.84Å; L520-V524 HydrophobicContact CD2-CG2 4.31Å; L520-V524 HydrophobicContact CG-CG2 4.47Å; L520-V524 PolarHBondContact O-N 3.39Å; L520-S528 VanDerWaalsContact CB-OG 3.32Å; L520-S528 WeakPolarHBondContact CB-OG 3.32Å; L520-S528 PolarHBondContact O-OG 2.92Å
521	Q	98.3	Very high	97.9	Very high	41 Å²	41	13.9 Å²	13.9	19%	0.192	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-39.8	-179.6	-69.7	177.6	102.6	0	0	114.4	L83 G517 T518 V523 P525 S528 L532 R542	L83-Q521 VanDerWaalsContact CD1-NE2 3.29Å; G517-Q521 WeakPolarHBondContact O-CG 3.18Å; G517-Q521 PolarHBondContact O-N 2.89Å; T518-Q521 WeakPolarHBondContact O-CG 3.48Å; T518-Q521 PolarHBondContact O-N 3.34Å; T518-Q521 PolarHBondContact O-NE2 3.16Å; Q521-V523 VanDerWaalsContact C-N 3.27Å; Q521-V523 PolarHBondContact O-N 3.11Å; Q521-P525 WeakPolarHBondContact O-CA 3.23Å; Q521-S528 WeakPolarHBondContact CA-OG 3.18Å; Q521-S528 PolarHBondContact N-OG 2.85Å; Q521-S528 VanDerWaalsContact N-OG 3.16Å; Q521-L532 HydrophobicContact CG-CD1 4.1Å; Q521-R542 PolarHBondContact NE2-O 3.44Å
522	P	98.2	Very high	97.9	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-24.2	178.1	-21.1	34.6	0	0	0	114.5	C76 R79 W80 L83 R372 Y460 L519 L520	C76-P522 WeakPolarHBondContact CA-O 3.46Å; C76-P522 WeakPolarHBondContact O-CB 3.44Å; R79-P522 HydrophobicContact CB-CB 3.93Å; W80-P522 HydrophobicContact CB-CB 4.32Å; W80-P522 HydrophobicContact CB-CG 4.24Å; W80-P522 HydrophobicContact CE3-CG 4.15Å; L83-P522 HydrophobicContact CD2-CG 4.26Å; R372-P522 PolarHBondContact NH2-O 3.27Å; Y460-P522 HydrophobicContact CE1-CB 4.4Å; L519-P522 WeakPolarHBondContact O-CD 3.42Å; L520-P522 VanDerWaalsContact C-N 3.29Å; L520-P522 VanDerWaalsContact O-N 3.16Å
523	V	98.3	Very high	97.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-49.1	-173.7	175.5	0	0	0	0	110.6	C76 R372 Y373 L376 Y460 V465 L469 L520 Q521 P525	C76-V523 VanDerWaalsContact SG-CG2 3.58Å; R372-V523 WeakPolarHBondContact CB-O 3.39Å; R372-V523 PolarHBondContact NE-O 3.49Å; R372-V523 PolarHBondContact NH2-O 2.96Å; Y373-V523 HydrophobicContact CD2-CG1 4.23Å; L376-V523 HydrophobicContact CB-CG1 4.17Å; L376-V523 HydrophobicContact CD1-CB 4.27Å; L376-V523 HydrophobicContact CD1-CG1 3.84Å; L376-V523 HydrophobicContact CD1-CG2 4.12Å; Y460-V523 HydrophobicContact CE1-CG2 4.27Å; Y460-V523 WeakPolarHBondContact OH-CG2 3.33Å; V465-V523 HydrophobicContact CG1-CG2 3.84Å; L469-V523 HydrophobicContact CD1-CG1 3.84Å; L469-V523 HydrophobicContact CD1-CG2 4.3Å; L469-V523 HydrophobicContact CD2-CB 4.28Å; L469-V523 HydrophobicContact CD2-CG1 4.12Å; L469-V523 HydrophobicContact CD2-CG2 4.03Å; L469-V523 HydrophobicContact CG-CG2 4.44Å; L520-V523 PolarHBondContact O-N 2.92Å; Q521-V523 VanDerWaalsContact C-N 3.27Å; Q521-V523 PolarHBondContact O-N 3.11Å; V523-P525 WeakPolarHBondContact O-CD 3.4Å
524	V	97.9	Very high	97.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.			trans	-126.7	73.4	-177	-69.8	0	0	0	0	110.3	D369 Y373 L520 E526 I527 S528	D369-V524 HydrophobicContact CB-CB 4.02Å; D369-V524 HydrophobicContact CB-CG1 3.94Å; D369-V524 WeakPolarHBondContact O-CG1 3.43Å; D369-V524 VanDerWaalsContact OD2-CA 3.27Å; D369-V524 WeakPolarHBondContact OD2-CA 3.44Å; D369-V524 WeakPolarHBondContact OD2-CB 3.32Å; Y373-V524 HydrophobicContact CD2-CG1 3.92Å; Y373-V524 HydrophobicContact CG-CG1 4.28Å; L520-V524 HydrophobicContact CB-CG2 3.84Å; L520-V524 HydrophobicContact CD2-CG2 4.31Å; L520-V524 HydrophobicContact CG-CG2 4.47Å; L520-V524 PolarHBondContact O-N 3.39Å; V524-E526 VanDerWaalsContact C-N 3.31Å; V524-E526 PolarHBondContact O-N 2.99Å; V524-I527 HydrophobicContact CB-CB 3.99Å; V524-I527 HydrophobicContact CB-CD1 4.23Å; V524-I527 HydrophobicContact CB-CG1 4.45Å; V524-I527 HydrophobicContact CG1-CD1 4.3Å; V524-I527 HydrophobicContact CG2-CB 4.06Å; V524-I527 HydrophobicContact CG2-CG2 4.23Å; V524-S528 WeakPolarHBondContact O-CB 3.32Å; V524-S528 PolarHBondContact O-N 2.59Å; V524-S528 PolarHBondContact O-OG 3.11Å
525	P	97.2	Very high	97.6	Very high	23 Å²	23	16.9 Å²	16.9	15%	0.149	8%	0.084	C	C	.	.	H	α-helix	trans	-59.7	-37.6	-172.3	22.6	-34.4	0	0	0	113.5	D369 Q521 V523 D529	D369-P525 WeakPolarHBondContact OD1-CD 3.38Å; Q521-P525 WeakPolarHBondContact O-CA 3.23Å; V523-P525 WeakPolarHBondContact O-CD 3.4Å; P525-D529 WeakPolarHBondContact O-CB 3.26Å; P525-D529 PolarHBondContact O-N 3.35Å
526	E	96	Very high	97.5	Very high	87 Å²	87	17.2 Å²	17.2	41%	0.407	9%	0.087	S	C	.	.	H	α-helix	trans	-75.7	-44.7	-176.9	-160.7	-164.9	154.6	0	0	111.9	D369 V524 S528 D529 R530	D369-E526 WeakPolarHBondContact OD2-CA 3.47Å; D369-E526 VanDerWaalsContact OD2-CB 3.32Å; D369-E526 WeakPolarHBondContact OD2-CB 3.45Å; D369-E526 PolarHBondContact OD2-N 3Å; V524-E526 VanDerWaalsContact C-N 3.31Å; V524-E526 PolarHBondContact O-N 2.99Å; E526-S528 VanDerWaalsContact C-N 3.32Å; E526-D529 PolarHBondContact O-N 2.95Å; E526-R530 WeakPolarHBondContact O-CG 3.33Å; E526-R530 PolarHBondContact O-N 3.34Å; E526-R530 IonicContact OE1-CZ 2.77Å; E526-R530 IonicContact OE1-NH1 3.44Å; E526-R530 PolarHBondContact OE1-NH1 2.96Å; E526-R530 IonicContact OE2-NH1 3.93Å
527	I	97.2	Very high	97.3	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-61.1	-44.9	173.5	-69.7	176.5	0	0	0	109.7	D369 L400 V524 R530 L531 L572 F573	D369-I527 HydrophobicContact CB-CD1 3.62Å; D369-I527 HydrophobicContact CB-CG1 3.77Å; D369-I527 PolarHBondContact OD2-N 3.3Å; L400-I527 HydrophobicContact CD1-CD1 3.84Å; V524-I527 HydrophobicContact CB-CB 3.99Å; V524-I527 HydrophobicContact CB-CD1 4.23Å; V524-I527 HydrophobicContact CB-CG1 4.45Å; V524-I527 HydrophobicContact CG1-CD1 4.3Å; V524-I527 HydrophobicContact CG2-CB 4.06Å; V524-I527 HydrophobicContact CG2-CG2 4.23Å; I527-R530 PolarHBondContact O-N 3.45Å; I527-L531 WeakPolarHBondContact O-CB 3.17Å; I527-L531 PolarHBondContact O-N 3.29Å; I527-L572 HydrophobicContact CG2-CD1 3.79Å; I527-L572 HydrophobicContact CG2-CD2 4.08Å; I527-L572 HydrophobicContact CG2-CG 3.86Å; I527-L572 WeakPolarHBondContact O-CD1 3.29Å; I527-F573 HydrophobicContact CD1-CD2 3.82Å; I527-F573 HydrophobicContact CD1-CE2 4.47Å
528	S	97.8	Very high	97.1	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.007	11%	0.107	C	C	.	.	H	α-helix	trans	-64.6	-42.1	179.8	-57.8	0	0	0	0	111.4	G517 L520 Q521 V524 E526 L531 L532	G517-S528 WeakPolarHBondContact O-CB 3.28Å; G517-S528 PolarHBondContact O-OG 3.24Å; L520-S528 VanDerWaalsContact CB-OG 3.32Å; L520-S528 WeakPolarHBondContact CB-OG 3.32Å; L520-S528 PolarHBondContact O-OG 2.92Å; Q521-S528 WeakPolarHBondContact CA-OG 3.18Å; Q521-S528 PolarHBondContact N-OG 2.85Å; Q521-S528 VanDerWaalsContact N-OG 3.16Å; V524-S528 WeakPolarHBondContact O-CB 3.32Å; V524-S528 PolarHBondContact O-N 2.59Å; V524-S528 PolarHBondContact O-OG 3.11Å; E526-S528 VanDerWaalsContact C-N 3.32Å; S528-L531 PolarHBondContact O-N 3.06Å; S528-L532 WeakPolarHBondContact O-CB 3.38Å; S528-L532 VanDerWaalsContact O-CG 3.24Å; S528-L532 WeakPolarHBondContact O-CG 3.17Å; S528-L532 PolarHBondContact O-N 2.7Å
529	D	96.6	Very high	96.9	Very high	72 Å²	72	25.9 Å²	25.9	39%	0.385	14%	0.138	S	C	.	.	H	α-helix	trans	-59	-50.5	173.4	178.5	77.9	0	0	0	111.4	P525 E526 L531 L532 T533 R542	P525-D529 WeakPolarHBondContact O-CB 3.26Å; P525-D529 PolarHBondContact O-N 3.35Å; E526-D529 PolarHBondContact O-N 2.95Å; D529-L531 VanDerWaalsContact C-N 3.32Å; D529-L531 PolarHBondContact O-N 2.9Å; D529-L532 PolarHBondContact O-N 3.23Å; D529-T533 WeakPolarHBondContact O-CB 3.4Å; D529-T533 PolarHBondContact O-N 3.12Å; D529-T533 PolarHBondContact O-OG1 3Å; D529-R542 IonicContact OD1-CZ 2.89Å; D529-R542 IonicContact OD1-NH1 3.58Å; D529-R542 PolarHBondContact OD1-NH1 2.77Å; D529-R542 IonicContact OD1-NH2 3.49Å
530	R	96.9	Very high	96.6	Very high	54 Å²	54	32.2 Å²	32.2	20%	0.204	17%	0.167	C	C	.	.	H	α-helix	trans	-58.5	-43.9	178	-73.1	-166.8	-61.5	-100.1	4	112.3	E526 I527 R534 L572	E526-R530 WeakPolarHBondContact O-CG 3.33Å; E526-R530 PolarHBondContact O-N 3.34Å; E526-R530 IonicContact OE1-CZ 2.77Å; E526-R530 IonicContact OE1-NH1 3.44Å; E526-R530 PolarHBondContact OE1-NH1 2.96Å; E526-R530 IonicContact OE2-NH1 3.93Å; I527-R530 PolarHBondContact O-N 3.45Å; R530-R534 WeakPolarHBondContact O-CB 3.34Å; R530-R534 PolarHBondContact O-N 3.27Å; R530-L572 HydrophobicContact CB-CD1 4.08Å; R530-L572 PolarHBondContact NE-O 3Å; R530-L572 PolarHBondContact NH2-O 3.47Å
531	L	97.9	Very high	96.4	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-60.4	-55.9	178	-173	163.4	0	0	0	110.2	L404 L408 L513 I527 S528 D529 T533 R534 L535 L572	L404-L531 HydrophobicContact CD1-CD1 3.94Å; L404-L531 HydrophobicContact CD2-CD1 4.13Å; L404-L531 HydrophobicContact CG-CD1 4.16Å; L408-L531 HydrophobicContact CD2-CB 4.49Å; L408-L531 HydrophobicContact CD2-CG 4.14Å; L513-L531 HydrophobicContact CB-CD2 4.39Å; L513-L531 HydrophobicContact CD2-CD1 4.48Å; L513-L531 WeakPolarHBondContact O-CD2 3.2Å; I527-L531 WeakPolarHBondContact O-CB 3.17Å; I527-L531 PolarHBondContact O-N 3.29Å; S528-L531 PolarHBondContact O-N 3.06Å; D529-L531 VanDerWaalsContact C-N 3.32Å; D529-L531 PolarHBondContact O-N 2.9Å; L531-T533 VanDerWaalsContact C-N 3.34Å; L531-T533 PolarHBondContact O-N 3.27Å; L531-R534 WeakPolarHBondContact O-CB 3.24Å; L531-R534 PolarHBondContact O-N 3.05Å; L531-L535 HydrophobicContact CD2-CD1 3.54Å; L531-L535 HydrophobicContact CD2-CG 4.09Å; L531-L535 WeakPolarHBondContact O-CG 3.36Å; L531-L535 PolarHBondContact O-N 3.25Å; L531-L572 HydrophobicContact CB-CD1 3.84Å; L531-L572 HydrophobicContact CD1-CD2 4.12Å
532	L	97.5	Very high	96.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.3	-37.2	-175.5	-67.1	169.2	0	0	0	111.7	R514 Q521 S528 D529 L535 G536 V537 R542	R514-L532 HydrophobicContact CG-CD2 4.29Å; Q521-L532 HydrophobicContact CG-CD1 4.1Å; S528-L532 WeakPolarHBondContact O-CB 3.38Å; S528-L532 VanDerWaalsContact O-CG 3.24Å; S528-L532 WeakPolarHBondContact O-CG 3.17Å; S528-L532 PolarHBondContact O-N 2.7Å; D529-L532 PolarHBondContact O-N 3.23Å; L532-L535 CarbonylContact O-C 3.16Å; L532-L535 PolarHBondContact O-N 3.47Å; L532-G536 PolarHBondContact O-N 3.33Å; L532-V537 HydrophobicContact CB-CB 4.22Å; L532-V537 HydrophobicContact CD2-CB 4.45Å; L532-V537 HydrophobicContact CD2-CG2 4.29Å; L532-V537 WeakPolarHBondContact O-CB 3.37Å; L532-V537 PolarHBondContact O-N 3.22Å; L532-R542 HydrophobicContact CB-CG 4.49Å; L532-R542 HydrophobicContact CD1-CB 4.3Å; L532-R542 HydrophobicContact CD1-CG 3.88Å
533	T	96.5	Very high	96.1	Very high	46 Å²	46	34.2 Å²	34.2	28%	0.282	18%	0.179	S	C	.	.	H	α-helix	trans	-62.1	-43.2	172.6	-65.4	0	0	0	0	111.2	D529 L531 L535 G536 R542 G566	D529-T533 WeakPolarHBondContact O-CB 3.4Å; D529-T533 PolarHBondContact O-N 3.12Å; D529-T533 PolarHBondContact O-OG1 3Å; L531-T533 VanDerWaalsContact C-N 3.34Å; L531-T533 PolarHBondContact O-N 3.27Å; T533-L535 VanDerWaalsContact C-N 3.26Å; T533-L535 PolarHBondContact O-N 3.46Å; T533-G536 WeakPolarHBondContact O-CA 3.46Å; T533-G536 PolarHBondContact O-N 3.2Å; T533-R542 PolarHBondContact OG1-NH2 3.02Å; T533-G566 VanDerWaalsContact O-CA 3.32Å; T533-G566 WeakPolarHBondContact O-CA 3.19Å
534	R	96.4	Very high	95.8	Very high	21 Å²	21	37 Å²	37	8%	0.079	19%	0.189	C	C	.	.	H	α-helix	trans	-64	-32.7	175.5	-179.3	164.6	-179.6	-179.5	-1.4	112.4	L408 N409 T412 R530 L531 G536 G566 N568 G570	L408-R534 HydrophobicContact CD1-CG 4.38Å; N409-R534 PolarHBondContact OD1-NH1 2.85Å; N409-R534 PolarHBondContact OD1-NH2 3.47Å; T412-R534 VanDerWaalsContact OG1-CZ 3.24Å; T412-R534 PolarHBondContact OG1-NE 3.04Å; T412-R534 VanDerWaalsContact OG1-NE 3.16Å; T412-R534 PolarHBondContact OG1-NH2 3.16Å; R530-R534 WeakPolarHBondContact O-CB 3.34Å; R530-R534 PolarHBondContact O-N 3.27Å; L531-R534 WeakPolarHBondContact O-CB 3.24Å; L531-R534 PolarHBondContact O-N 3.05Å; R534-G536 PolarHBondContact O-N 3.43Å; R534-G566 PolarHBondContact O-N 3.39Å; R534-N568 WeakPolarHBondContact CD-O 3.48Å; R534-N568 WeakPolarHBondContact CG-O 3.37Å; R534-G570 PolarHBondContact NH1-O 3.27Å
535	L	96.4	Very high	95.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	1.6	170.2	-62.6	-175.1	0	0	0	113.2	L408 Y422 L510 L513 R514 L531 L532 T533 V537	L408-L535 HydrophobicContact CD1-CD2 3.86Å; L408-L535 HydrophobicContact CD1-CG 4.38Å; Y422-L535 HydrophobicContact CE2-CB 4.36Å; Y422-L535 WeakPolarHBondContact CE2-O 3.44Å; L510-L535 HydrophobicContact CD2-CD2 3.56Å; L513-L535 HydrophobicContact CB-CD1 3.82Å; R514-L535 HydrophobicContact CB-CD1 4.02Å; L531-L535 HydrophobicContact CD2-CD1 3.54Å; L531-L535 HydrophobicContact CD2-CG 4.09Å; L531-L535 WeakPolarHBondContact O-CG 3.36Å; L531-L535 PolarHBondContact O-N 3.25Å; L532-L535 CarbonylContact O-C 3.16Å; L532-L535 PolarHBondContact O-N 3.47Å; T533-L535 VanDerWaalsContact C-N 3.26Å; T533-L535 PolarHBondContact O-N 3.46Å; L535-V537 HydrophobicContact CB-CG2 3.88Å; L535-V537 PolarHBondContact O-N 3.24Å
536	G	95.2	Very high	94.9	Very high	7 Å²	7	46.5 Å²	46.5	7%	0.072	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	16.3	-179.3	0	0	0	0	0	113.8	L532 T533 R534 Q538 R563	L532-G536 PolarHBondContact O-N 3.33Å; T533-G536 WeakPolarHBondContact O-CA 3.46Å; T533-G536 PolarHBondContact O-N 3.2Å; R534-G536 PolarHBondContact O-N 3.43Å; G536-Q538 PolarHBondContact O-N 3.03Å; G536-Q538 PolarHBondContact O-NE2 3.4Å; G536-R563 PolarHBondContact O-NE 3.04Å; G536-R563 PolarHBondContact O-NH2 2.91Å
537	V	95.9	Very high	94.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	22%	0.218	C	C	.	.			trans	-76.9	117.4	177	-176	0	0	0	0	108.4	R514 L532 L535 E541 R542 F560	R514-V537 HydrophobicContact CG-CG2 3.93Å; L532-V537 HydrophobicContact CB-CB 4.22Å; L532-V537 HydrophobicContact CD2-CB 4.45Å; L532-V537 HydrophobicContact CD2-CG2 4.29Å; L532-V537 WeakPolarHBondContact O-CB 3.37Å; L532-V537 PolarHBondContact O-N 3.22Å; L535-V537 HydrophobicContact CB-CG2 3.88Å; L535-V537 PolarHBondContact O-N 3.24Å; V537-E541 HydrophobicContact CG1-CB 3.91Å; V537-R542 HydrophobicContact CG1-CG 3.74Å; V537-R542 PolarHBondContact O-NE 3.14Å; V537-R542 PolarHBondContact O-NH2 3.37Å; V537-F560 HydrophobicContact CB-CE1 4.38Å; V537-F560 HydrophobicContact CG1-CE1 4.41Å; V537-F560 HydrophobicContact CG1-CZ 4.32Å; V537-F560 HydrophobicContact CG2-CE1 3.84Å; V537-F560 HydrophobicContact CG2-CZ 4.26Å
538	Q	94.3	Very high	94.2	Very high	91 Å²	91	46.7 Å²	46.7	43%	0.425	24%	0.235	S	C	.	.			trans	-72.1	157.2	-179.7	-59.8	-40.4	-44.2	0	0	111.3	G536 Q540 E541 R542 R563	G536-Q538 PolarHBondContact O-N 3.03Å; G536-Q538 PolarHBondContact O-NE2 3.4Å; Q538-Q540 VanDerWaalsContact CB-CD 3.42Å; Q538-Q540 VanDerWaalsContact CB-NE2 3.28Å; Q538-Q540 PolarHBondContact O-N 2.9Å; Q538-Q540 VanDerWaalsContact O-N 3.16Å; Q538-E541 HydrophobicContact CB-CG 4.33Å; Q538-E541 WeakPolarHBondContact CB-OE2 3.38Å; Q538-E541 PolarHBondContact N-OE2 3.41Å; Q538-E541 WeakPolarHBondContact O-CB 3.38Å; Q538-E541 PolarHBondContact O-N 2.66Å; Q538-R542 WeakPolarHBondContact O-CG 3.39Å; Q538-R563 VanDerWaalsContact CG-NH2 3.3Å; Q538-R563 VanDerWaalsContact NE2-NH2 3.11Å
539	S	92.8	Very high	94	Very high	91 Å²	91	47.5 Å²	47.5	64%	0.636	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-53.6	-37.1	-179	-53.7	0	0	0	0	114	E541 R542	S539-E541 PolarHBondContact O-N 3.36Å; S539-R542 PolarHBondContact O-N 2.85Å
540	Q	92.9	Very high	93.7	Very high	134 Å²	134	44.1 Å²	44.1	63%	0.626	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-73	-10.9	178.5	70.9	-80.9	6.3	0	0	114.7	Q538	Q538-Q540 VanDerWaalsContact CB-CD 3.42Å; Q538-Q540 VanDerWaalsContact CB-NE2 3.28Å; Q538-Q540 PolarHBondContact O-N 2.9Å; Q538-Q540 VanDerWaalsContact O-N 3.16Å
541	E	94.4	Very high	93.3	Very high	42 Å²	42	41.7 Å²	41.7	20%	0.196	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-103.2	7.8	-178.8	-55.9	171.7	123.1	0	0	111.9	V537 Q538 S539 R563	V537-E541 HydrophobicContact CG1-CB 3.91Å; Q538-E541 HydrophobicContact CB-CG 4.33Å; Q538-E541 WeakPolarHBondContact CB-OE2 3.38Å; Q538-E541 PolarHBondContact N-OE2 3.41Å; Q538-E541 WeakPolarHBondContact O-CB 3.38Å; Q538-E541 PolarHBondContact O-N 2.66Å; S539-E541 PolarHBondContact O-N 3.36Å; E541-R563 VanDerWaalsContact CD-NH1 3.28Å; E541-R563 IonicContact OE1-CZ 3.91Å; E541-R563 IonicContact OE1-NH1 2.68Å; E541-R563 PolarHBondContact OE1-NH1 2.92Å; E541-R563 IonicContact OE1-NH2 3.84Å; E541-R563 IonicContact OE2-CZ 3.7Å; E541-R563 VanDerWaalsContact OE2-CZ 3.3Å; E541-R563 IonicContact OE2-NH1 2.65Å; E541-R563 PolarHBondContact OE2-NH1 3.49Å; E541-R563 IonicContact OE2-NH2 3.96Å; E541-R563 PolarHBondContact OE2-NH2 2.88Å
542	R	94.8	Very high	92.8	Very high	18 Å²	18	46 Å²	46	7%	0.068	23%	0.228	C	C	.	.			trans	-102.4	21.6	-175.9	-58.1	176.6	-172	-174.1	2.8	112.9	L83 Q521 D529 L532 T533 V537 Q538 S539	L83-R542 WeakPolarHBondContact CD1-O 3.39Å; Q521-R542 PolarHBondContact NE2-O 3.44Å; D529-R542 IonicContact OD1-CZ 2.89Å; D529-R542 IonicContact OD1-NH1 3.58Å; D529-R542 PolarHBondContact OD1-NH1 2.77Å; D529-R542 IonicContact OD1-NH2 3.49Å; L532-R542 HydrophobicContact CB-CG 4.49Å; L532-R542 HydrophobicContact CD1-CB 4.3Å; L532-R542 HydrophobicContact CD1-CG 3.88Å; T533-R542 PolarHBondContact OG1-NH2 3.02Å; V537-R542 HydrophobicContact CG1-CG 3.74Å; V537-R542 PolarHBondContact O-NE 3.14Å; V537-R542 PolarHBondContact O-NH2 3.37Å; Q538-R542 WeakPolarHBondContact O-CG 3.39Å; S539-R542 PolarHBondContact O-N 2.85Å
543	S	94.1	Very high	92.5	Very high	29 Å²	29	47 Å²	47	20%	0.203	23%	0.231	C	C	.	.	S	Bend	trans	-96.2	164	-177.3	84.1	0	0	0	0	112	K545 D546 L547	S543-K545 VanDerWaalsContact C-N 3.27Å; S543-K545 PolarHBondContact O-N 2.76Å; S543-K545 WeakPolarHBondContact OG-CE 3.35Å; S543-K545 WeakPolarHBondContact OG-CG 3.43Å; S543-D546 WeakPolarHBondContact CB-OD2 3.11Å; S543-D546 PolarHBondContact O-N 2.83Å; S543-D546 VanDerWaalsContact O-N 3.08Å; S543-D546 PolarHBondContact OG-OD2 2.74Å; S543-L547 PolarHBondContact O-N 3.04Å
544	W	92.5	Very high	92.1	Very high	58 Å²	58	47.4 Å²	47.4	22%	0.22	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-57	-38.5	178.6	-176.7	-101	0	0	0	113.6	W80 L83 Q84 S453 E457 L519 D546 L547	W80-W544 AromaticContact CH2-CE3 3.75Å; W80-W544 HydrophobicContact CH2-CE3 3.75Å; W80-W544 AromaticContact CH2-CH2 3.5Å; W80-W544 HydrophobicContact CH2-CH2 3.5Å; W80-W544 HydrophobicContact CH2-CZ2 4.38Å; W80-W544 AromaticContact CH2-CZ3 3.16Å; W80-W544 HydrophobicContact CH2-CZ3 3.16Å; W80-W544 HydrophobicContact CZ2-CH2 4.26Å; W80-W544 HydrophobicContact CZ2-CZ3 4.19Å; W80-W544 AromaticContact CZ3-CE3 4Å; W80-W544 HydrophobicContact CZ3-CE3 4Å; W80-W544 HydrophobicContact CZ3-CH2 4.38Å; W80-W544 AromaticContact CZ3-CZ3 3.61Å; W80-W544 HydrophobicContact CZ3-CZ3 3.61Å; L83-W544 HydrophobicContact CG-CB 4.44Å; L83-W544 WeakPolarHBondContact O-CB 3.43Å; L83-W544 PolarHBondContact O-N 3.05Å; Q84-W544 HydrophobicContact CG-CB 4.5Å; Q84-W544 HydrophobicContact CG-CD2 4.41Å; Q84-W544 HydrophobicContact CG-CG 4.28Å; S453-W544 WeakPolarHBondContact O-CH2 3.29Å; E457-W544 HydrophobicContact CB-CH2 3.86Å; E457-W544 HydrophobicContact CB-CZ2 4.15Å; L519-W544 HydrophobicContact CD2-CE3 4.38Å; L519-W544 HydrophobicContact CD2-CZ3 3.62Å; W544-D546 PolarHBondContact O-N 3.3Å; W544-L547 HydrophobicContact CE3-CD1 4.24Å; W544-L547 HydrophobicContact CZ3-CD1 4.33Å; W544-L547 VanDerWaalsContact O-CB 3.24Å; W544-L547 WeakPolarHBondContact O-CB 3.48Å; W544-L547 PolarHBondContact O-N 3.33Å
545	K	89.8	Confident	91.6	Very high	172 Å²	172	49.4 Å²	49.4	75%	0.748	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-68.5	-20.2	179.7	56.2	162.2	-169.4	179.2	0	113.1	S543 L547	S543-K545 VanDerWaalsContact C-N 3.27Å; S543-K545 PolarHBondContact O-N 2.76Å; S543-K545 WeakPolarHBondContact OG-CE 3.35Å; S543-K545 WeakPolarHBondContact OG-CG 3.43Å; K545-L547 VanDerWaalsContact C-N 3.34Å
546	D	87.4	Confident	91.1	Very high	51 Å²	51	53.2 Å²	53.2	27%	0.273	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-96.9	5.8	179.8	-49	-52.7	0	0	0	111.2	R514 S543 W544 D548	R514-D546 PolarHBondContact NH1-O 3.08Å; S543-D546 WeakPolarHBondContact CB-OD2 3.11Å; S543-D546 PolarHBondContact O-N 2.83Å; S543-D546 VanDerWaalsContact O-N 3.08Å; S543-D546 PolarHBondContact OG-OD2 2.74Å; W544-D546 PolarHBondContact O-N 3.3Å; D546-D548 PolarHBondContact O-N 3.27Å
547	L	88.4	Confident	90.5	Very high	25 Å²	25	59 Å²	59	13%	0.131	31%	0.309	C	S	.	.			trans	-84.4	59.7	177	-155.1	156.1	0	0	0	110.1	V515 T518 L519 S543 W544 K545	V515-L547 HydrophobicContact CG1-CD2 4.16Å; V515-L547 HydrophobicContact CG2-CD2 4.42Å; T518-L547 HydrophobicContact CG2-CD1 3.74Å; T518-L547 HydrophobicContact CG2-CG 4.44Å; L519-L547 HydrophobicContact CD2-CD1 3.47Å; L519-L547 VanDerWaalsContact CD2-CD1 3.47Å; L519-L547 HydrophobicContact CG-CD1 3.85Å; S543-L547 PolarHBondContact O-N 3.04Å; W544-L547 HydrophobicContact CE3-CD1 4.24Å; W544-L547 HydrophobicContact CZ3-CD1 4.33Å; W544-L547 VanDerWaalsContact O-CB 3.24Å; W544-L547 WeakPolarHBondContact O-CB 3.48Å; W544-L547 PolarHBondContact O-N 3.33Å; K545-L547 VanDerWaalsContact C-N 3.34Å
548	D	89.5	Confident	90	Very high	67 Å²	67	59.5 Å²	59.5	36%	0.358	31%	0.313	S	S	.	.			trans	-75.7	169	159.7	65.2	-8	0	0	0	110.1	R514 D546	R514-D548 IonicContact CZ-OD1 3.17Å; R514-D548 VanDerWaalsContact CZ-OD1 3.31Å; R514-D548 IonicContact NH1-OD1 3.51Å; R514-D548 PolarHBondContact NH1-OD1 3.14Å; R514-D548 PolarHBondContact NH2-O 3.18Å; R514-D548 IonicContact NH2-OD1 3.11Å; R514-D548 PolarHBondContact NH2-OD1 3.48Å; D546-D548 PolarHBondContact O-N 3.27Å
549	F	93.6	Very high	89.6	Confident	18 Å²	18	59.2 Å²	59.2	8%	0.079	32%	0.321	C	S	.	.			trans	-145.3	125.8	175.2	174.9	-118	0	0	0	110.3	V446 V449 R450 L508 E511 V515 G551 F554	V446-F549 HydrophobicContact CG1-CE1 4.06Å; V446-F549 WeakPolarHBondContact O-CE1 3.23Å; V449-F549 HydrophobicContact CB-CD1 4.46Å; V449-F549 HydrophobicContact CB-CE1 3.87Å; V449-F549 HydrophobicContact CB-CE2 4.39Å; V449-F549 HydrophobicContact CB-CZ 3.83Å; V449-F549 HydrophobicContact CG1-CD1 4.13Å; V449-F549 HydrophobicContact CG1-CD2 3.9Å; V449-F549 HydrophobicContact CG1-CE1 3.81Å; V449-F549 HydrophobicContact CG1-CE2 3.58Å; V449-F549 HydrophobicContact CG1-CG 4.16Å; V449-F549 HydrophobicContact CG1-CZ 3.53Å; R450-F549 HydrophobicContact CB-CD1 4Å; L508-F549 HydrophobicContact CD1-CE2 4.4Å; L508-F549 HydrophobicContact CD1-CZ 3.89Å; E511-F549 HydrophobicContact CB-CD2 4.13Å; E511-F549 HydrophobicContact CB-CE2 3.92Å; V515-F549 HydrophobicContact CG2-CB 4.16Å; V515-F549 HydrophobicContact CG2-CD2 3.78Å; V515-F549 HydrophobicContact CG2-CG 4.29Å; F549-G551 PolarHBondContact O-N 3.28Å; F549-F554 HydrophobicContact CD1-CE2 4.36Å; F549-F554 WeakPolarHBondContact O-CD2 3.42Å
550	L	90.9	Very high	89.5	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.292	C	S	.	.			trans	55.1	47.9	168.7	-158.9	69	0	0	0	113.2	F425 V446 L508 E511 R552 Y553 F554	F425-L550 HydrophobicContact CD2-CD1 3.96Å; F425-L550 HydrophobicContact CE2-CD1 3.85Å; F425-L550 HydrophobicContact CE2-CD2 4.43Å; F425-L550 HydrophobicContact CE2-CG 4.42Å; F425-L550 HydrophobicContact CZ-CD2 4.5Å; V446-L550 HydrophobicContact CG1-CD2 3.91Å; V446-L550 HydrophobicContact CG2-CD2 4.14Å; L508-L550 HydrophobicContact CB-CD1 4.49Å; L508-L550 HydrophobicContact CD1-CD1 3.63Å; L508-L550 HydrophobicContact CD1-CD2 3.62Å; L508-L550 HydrophobicContact CD1-CG 4.2Å; E511-L550 HydrophobicContact CG-CD1 4.49Å; E511-L550 PolarHBondContact OE2-N 2.88Å; E511-L550 VanDerWaalsContact OE2-N 3.15Å; L550-R552 VanDerWaalsContact C-N 3.27Å; L550-R552 PolarHBondContact O-N 3.28Å; L550-R552 VanDerWaalsContact O-N 3.14Å; L550-Y553 VanDerWaalsContact CD2-CB 3.43Å; L550-Y553 HydrophobicContact CD2-CD1 4.01Å; L550-Y553 HydrophobicContact CD2-CG 3.82Å; L550-Y553 HydrophobicContact CG-CG 4.44Å; L550-Y553 WeakPolarHBondContact O-CB 3.32Å; L550-Y553 PolarHBondContact O-N 2.89Å; L550-F554 HydrophobicContact CB-CD2 4.41Å; L550-F554 HydrophobicContact CB-CE2 4.26Å; L550-F554 WeakPolarHBondContact O-CD2 3.29Å; L550-F554 PolarHBondContact O-N 2.78Å
551	G	88.8	Confident	89.5	Confident	3 Å²	3	51.6 Å²	51.6	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-49.1	-44.7	-173.8	0	0	0	0	0	113.9	F549 Y553 F554 G555 T556	F549-G551 PolarHBondContact O-N 3.28Å; G551-Y553 VanDerWaalsContact C-N 3.32Å; G551-Y553 PolarHBondContact O-N 3.31Å; G551-F554 CarbonylContact O-C 3.46Å; G551-F554 VanDerWaalsContact O-C 3.3Å; G551-F554 WeakPolarHBondContact O-CA 3.4Å; G551-F554 PolarHBondContact O-N 2.72Å; G551-G555 PolarHBondContact O-N 3.35Å; G551-T556 CarbonylContact C-O 3.46Å; G551-T556 WeakPolarHBondContact CA-OG1 3.32Å; G551-T556 PolarHBondContact O-N 3.04Å; G551-T556 VanDerWaalsContact O-O 3.09Å; G551-T556 PolarHBondContact O-OG1 3.41Å
552	R	86.9	Confident	89.5	Confident	93 Å²	93	52.1 Å²	52.1	35%	0.351	29%	0.292	S	S	.	.	H	α-helix	trans	-56.2	-41.7	178.1	-75	-61.5	-155.3	-162.4	1.1	113.6	F425 L550 F554 G555 T556 D557 C558 E561	F425-R552 HydrophobicContact CB-CB 4.05Å; F425-R552 HydrophobicContact CB-CG 4.33Å; F425-R552 HydrophobicContact CD1-CB 3.84Å; F425-R552 HydrophobicContact CG-CB 4.2Å; L550-R552 VanDerWaalsContact C-N 3.27Å; L550-R552 PolarHBondContact O-N 3.28Å; L550-R552 VanDerWaalsContact O-N 3.14Å; R552-F554 VanDerWaalsContact C-N 3.29Å; R552-F554 PolarHBondContact O-N 3.23Å; R552-G555 PolarHBondContact O-N 3.36Å; R552-T556 WeakPolarHBondContact CA-O 3.3Å; R552-T556 PolarHBondContact N-O 3.09Å; R552-D557 IonicContact CZ-OD1 2.95Å; R552-D557 IonicContact NH1-OD1 3.94Å; R552-D557 PolarHBondContact NH1-OD1 2.81Å; R552-C558 HydrophobicContact CG-CB 3.88Å; R552-E561 IonicContact CZ-OE2 3.63Å; R552-E561 VanDerWaalsContact CZ-OE2 3.32Å; R552-E561 IonicContact NE-OE2 2.77Å; R552-E561 PolarHBondContact NE-OE2 3.35Å; R552-E561 IonicContact NH2-OE2 3.24Å; R552-E561 PolarHBondContact NH2-OE2 2.83Å
553	Y	90.1	Very high	89.5	Confident	19 Å²	19	53.5 Å²	53.5	8%	0.075	30%	0.297	C	S	.	.	H	α-helix	trans	-67.1	-34.5	176.3	179	-104.8	0	0	0	111.2	F425 F430 R432 Y443 V446 L550 G551	F425-Y553 HydrophobicContact CE1-CD2 4.26Å; F425-Y553 HydrophobicContact CZ-CD2 4.06Å; F425-Y553 HydrophobicContact CZ-CG 4.39Å; F430-Y553 AromaticContact CD1-CD2 3.87Å; F430-Y553 HydrophobicContact CD1-CD2 3.87Å; F430-Y553 AromaticContact CD1-CE2 3.61Å; F430-Y553 HydrophobicContact CD1-CE2 3.61Å; F430-Y553 HydrophobicContact CE1-CD2 4.33Å; F430-Y553 AromaticContact CE1-CE2 3.86Å; F430-Y553 HydrophobicContact CE1-CE2 3.86Å; R432-Y553 HydrophobicContact CG-CD2 4.39Å; R432-Y553 HydrophobicContact CG-CE2 3.73Å; R432-Y553 PolarHBondContact NE-O 3.4Å; R432-Y553 PolarHBondContact NH2-O 3.07Å; Y443-Y553 WeakPolarHBondContact CD1-OH 3.36Å; Y443-Y553 HydrophobicContact CE1-CE2 4.42Å; V446-Y553 HydrophobicContact CG1-CD1 4.11Å; V446-Y553 HydrophobicContact CG1-CE1 3.97Å; L550-Y553 VanDerWaalsContact CD2-CB 3.43Å; L550-Y553 HydrophobicContact CD2-CD1 4.01Å; L550-Y553 HydrophobicContact CD2-CG 3.82Å; L550-Y553 HydrophobicContact CG-CG 4.44Å; L550-Y553 WeakPolarHBondContact O-CB 3.32Å; L550-Y553 PolarHBondContact O-N 2.89Å; G551-Y553 VanDerWaalsContact C-N 3.32Å; G551-Y553 PolarHBondContact O-N 3.31Å
554	F	88.6	Confident	89.6	Confident	55 Å²	55	56.3 Å²	56.3	24%	0.241	31%	0.314	C	S	.	.	H	α-helix	trans	-88.4	0.9	178.3	-63.9	-65.6	0	0	0	115	R432 V446 R450 F549 L550 G551 R552	R432-F554 PolarHBondContact NH2-O 3.42Å; V446-F554 HydrophobicContact CG1-CE2 4.42Å; V446-F554 HydrophobicContact CG1-CZ 4.02Å; R450-F554 HydrophobicContact CG-CE2 4.32Å; R450-F554 HydrophobicContact CG-CZ 4.29Å; R450-F554 VanDerWaalsContact NH1-CE1 3.35Å; F549-F554 HydrophobicContact CD1-CE2 4.36Å; F549-F554 WeakPolarHBondContact O-CD2 3.42Å; L550-F554 HydrophobicContact CB-CD2 4.41Å; L550-F554 HydrophobicContact CB-CE2 4.26Å; L550-F554 WeakPolarHBondContact O-CD2 3.29Å; L550-F554 PolarHBondContact O-N 2.78Å; G551-F554 CarbonylContact O-C 3.46Å; G551-F554 VanDerWaalsContact O-C 3.3Å; G551-F554 WeakPolarHBondContact O-CA 3.4Å; G551-F554 PolarHBondContact O-N 2.72Å; R552-F554 VanDerWaalsContact C-N 3.29Å; R552-F554 PolarHBondContact O-N 3.23Å
555	G	85.6	Confident	89.8	Confident	63 Å²	63	54.5 Å²	54.5	65%	0.649	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	18.5	173.1	0	0	0	0	0	113.9	G551 R552	G551-G555 PolarHBondContact O-N 3.35Å; R552-G555 PolarHBondContact O-N 3.36Å
556	T	86.9	Confident	89.9	Confident	81 Å²	81	47.1 Å²	47.1	50%	0.497	28%	0.282	S	S	.	.	S	Bend	trans	-110.1	162.3	170.7	62.5	0	0	0	0	110.1	G551 R552	G551-T556 CarbonylContact C-O 3.46Å; G551-T556 WeakPolarHBondContact CA-OG1 3.32Å; G551-T556 PolarHBondContact O-N 3.04Å; G551-T556 VanDerWaalsContact O-O 3.09Å; G551-T556 PolarHBondContact O-OG1 3.41Å; R552-T556 WeakPolarHBondContact CA-O 3.3Å; R552-T556 PolarHBondContact N-O 3.09Å
557	D	83.2	Confident	89.7	Confident	127 Å²	127	50.6 Å²	50.6	68%	0.679	31%	0.31	S	S	*	.			trans	-68.8	150.1	173.8	-71.4	-40.2	0	0	0	111.3	R552	R552-D557 IonicContact CZ-OD1 2.95Å; R552-D557 IonicContact NH1-OD1 3.94Å; R552-D557 PolarHBondContact NH1-OD1 2.81Å
558	C	85.6	Confident	89.3	Confident	12 Å²	12	52 Å²	52	8%	0.081	32%	0.318	C	S	.	.			trans	-112.1	110.5	173	178.8	0	0	0	0	108.3	R552 F560 E561	R552-C558 HydrophobicContact CG-CB 3.88Å; C558-F560 PolarHBondContact O-N 3.45Å; C558-E561 PolarHBondContact O-N 3.03Å
559	S	85.1	Confident	88.7	Confident	85 Å²	85	53.2 Å²	53.2	59%	0.594	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.1	-178.5	55.6	0	0	0	0	113.8
560	F	91.3	Very high	88.2	Confident	7 Å²	7	54.1 Å²	54.1	3%	0.031	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-19.5	178.9	-65.4	-82.4	0	0	0	112.9	Y422 V537 C558 G562 R563	Y422-F560 WeakPolarHBondContact CB-O 3.08Å; Y422-F560 HydrophobicContact CD1-CB 3.56Å; Y422-F560 HydrophobicContact CD1-CG 4.49Å; Y422-F560 HydrophobicContact CD2-CB 4.37Å; Y422-F560 HydrophobicContact CE1-CB 3.78Å; Y422-F560 HydrophobicContact CE1-CG 4.26Å; Y422-F560 HydrophobicContact CG-CB 3.86Å; V537-F560 HydrophobicContact CB-CE1 4.38Å; V537-F560 HydrophobicContact CG1-CE1 4.41Å; V537-F560 HydrophobicContact CG1-CZ 4.32Å; V537-F560 HydrophobicContact CG2-CE1 3.84Å; V537-F560 HydrophobicContact CG2-CZ 4.26Å; C558-F560 PolarHBondContact O-N 3.45Å; F560-G562 PolarHBondContact O-N 3.29Å; F560-R563 WeakPolarHBondContact O-CB 3.04Å; F560-R563 PolarHBondContact O-N 3.12Å
561	E	92.4	Very high	88.1	Confident	58 Å²	58	59.1 Å²	59.1	27%	0.271	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	126.5	-176.8	-168.3	176.1	174.2	0	0	112.1	A424 R552 C558 R563	A424-E561 WeakPolarHBondContact CA-OE1 3.35Å; A424-E561 HydrophobicContact CB-CG 4.4Å; A424-E561 WeakPolarHBondContact CB-OE1 3.31Å; R552-E561 IonicContact CZ-OE2 3.63Å; R552-E561 VanDerWaalsContact CZ-OE2 3.32Å; R552-E561 IonicContact NE-OE2 2.77Å; R552-E561 PolarHBondContact NE-OE2 3.35Å; R552-E561 IonicContact NH2-OE2 3.24Å; R552-E561 PolarHBondContact NH2-OE2 2.83Å; C558-E561 PolarHBondContact O-N 3.03Å; E561-R563 PolarHBondContact O-N 3.11Å
562	G	93.3	Very high	88.3	Confident	53 Å²	53	59.2 Å²	59.2	55%	0.546	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	-6.3	-175.9	0	0	0	0	0	115.2	Y422 F560	Y422-G562 WeakPolarHBondContact O-CA 3.33Å; Y422-G562 PolarHBondContact O-N 3.29Å; F560-G562 PolarHBondContact O-N 3.29Å
563	R	94.8	Very high	88.7	Confident	47 Å²	47	55.3 Å²	55.3	18%	0.177	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-71.4	139	-179.4	-171.2	178.3	172.9	158.2	-5.7	111.5	V421 Y422 G536 Q538 E541 F560 E561	V421-R563 CarbonylContact C-O 3.51Å; V421-R563 WeakPolarHBondContact CA-O 3.47Å; V421-R563 WeakPolarHBondContact CB-O 3.33Å; Y422-R563 PolarHBondContact N-O 2.69Å; G536-R563 PolarHBondContact O-NE 3.04Å; G536-R563 PolarHBondContact O-NH2 2.91Å; Q538-R563 VanDerWaalsContact CG-NH2 3.3Å; Q538-R563 VanDerWaalsContact NE2-NH2 3.11Å; E541-R563 VanDerWaalsContact CD-NH1 3.28Å; E541-R563 IonicContact OE1-CZ 3.91Å; E541-R563 IonicContact OE1-NH1 2.68Å; E541-R563 PolarHBondContact OE1-NH1 2.92Å; E541-R563 IonicContact OE1-NH2 3.84Å; E541-R563 IonicContact OE2-CZ 3.7Å; E541-R563 VanDerWaalsContact OE2-CZ 3.3Å; E541-R563 IonicContact OE2-NH1 2.65Å; E541-R563 PolarHBondContact OE2-NH1 3.49Å; E541-R563 IonicContact OE2-NH2 3.96Å; E541-R563 PolarHBondContact OE2-NH2 2.88Å; F560-R563 WeakPolarHBondContact O-CB 3.04Å; F560-R563 PolarHBondContact O-N 3.12Å; E561-R563 PolarHBondContact O-N 3.11Å
564	P	96.6	Very high	88.9	Confident	88 Å²	88	58 Å²	58	57%	0.571	38%	0.378	S	S	*	.	B	Isolated β-bridge	trans	-64.8	143.1	173.9	27.1	-34.7	0	0	0	111.9
565	L	96.3	Very high	89.1	Confident	20 Å²	20	63 Å²	63	11%	0.105	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-67.3	161.2	165.8	-61.4	-177.6	0	0	0	110.1	T412 Q420 Y422 L510	T412-L565 HydrophobicContact CG2-CD1 3.85Å; Q420-L565 WeakPolarHBondContact O-CB 3.4Å; Q420-L565 WeakPolarHBondContact O-CG 3.2Å; Q420-L565 PolarHBondContact O-N 2.91Å; Y422-L565 HydrophobicContact CD2-CD2 3.63Å; Y422-L565 HydrophobicContact CE2-CD2 3.61Å; L510-L565 HydrophobicContact CD1-CD2 4.24Å
566	G	93.7	Very high	89.5	Confident	18 Å²	18	61.3 Å²	61.3	19%	0.186	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-71.7	160.4	177.4	0	0	0	0	0	112.8	T533 R534 N568	T533-G566 VanDerWaalsContact O-CA 3.32Å; T533-G566 WeakPolarHBondContact O-CA 3.19Å; R534-G566 PolarHBondContact O-N 3.39Å; G566-N568 PolarHBondContact O-N 2.76Å
567	S	83.2	Confident	89.5	Confident	123 Å²	123	65.8 Å²	65.8	86%	0.86	39%	0.387	S	S	*	.	S	Bend	trans	-72.6	-6.4	-179.4	54.6	0	0	0	0	114.7	C569	S567-C569 PolarHBondContact O-N 2.76Å
568	N	78.3	Confident	88.9	Confident	54 Å²	54	64.5 Å²	64.5	29%	0.289	38%	0.383	S	S	.	.			trans	-79.9	107.7	-179.5	-171.9	-13.1	0	0	0	111.2	R534 G566 G570	R534-N568 WeakPolarHBondContact CD-O 3.48Å; R534-N568 WeakPolarHBondContact CG-O 3.37Å; G566-N568 PolarHBondContact O-N 2.76Å; N568-G570 PolarHBondContact OD1-N 2.87Å
569	C	76.9	Confident	87.6	Confident	94 Å²	94	70.7 Å²	70.7	64%	0.635	41%	0.411	S	S	*	.			trans	-103.9	6.7	178.3	-61.3	0	0	0	0	113.8	S567	S567-C569 PolarHBondContact O-N 2.76Å
570	G	83.6	Confident	85.4	Confident	36 Å²	36	71.8 Å²	71.8	37%	0.371	42%	0.418	S	S	.	.	S	Bend	trans	-69.6	165.7	-177.1	0	0	0	0	0	113.7	R534 N568	R534-G570 PolarHBondContact NH1-O 3.27Å; N568-G570 PolarHBondContact OD1-N 2.87Å
571	L	88.3	Confident	82.9	Confident	105 Å²	105	75.4 Å²	75.4	55%	0.55	46%	0.458	S	S	.	.			trans	-62.3	137.6	169.9	-67.7	177.8	0	0	0	110	N409	N409-L571 WeakPolarHBondContact ND2-CD2 3.47Å
572	L	93.1	Very high	80.2	Confident	5 Å²	5	79.5 Å²	79.5	3%	0.026	48%	0.482	C	S	.	.	S	Bend	trans	-66.7	-43.3	175.5	-176.4	63.6	0	0	0	111.4	L404 L408 I527 R530 L531	L404-L572 HydrophobicContact CB-CD2 4.5Å; L404-L572 HydrophobicContact CD2-CD2 3.83Å; L404-L572 HydrophobicContact CG-CD2 3.73Å; L408-L572 HydrophobicContact CD2-CB 4.2Å; L408-L572 HydrophobicContact CD2-CD1 4.27Å; L408-L572 HydrophobicContact CD2-CD2 4.15Å; L408-L572 HydrophobicContact CD2-CG 4.44Å; I527-L572 HydrophobicContact CG2-CD1 3.79Å; I527-L572 HydrophobicContact CG2-CD2 4.08Å; I527-L572 HydrophobicContact CG2-CG 3.86Å; I527-L572 WeakPolarHBondContact O-CD1 3.29Å; R530-L572 HydrophobicContact CB-CD1 4.08Å; R530-L572 PolarHBondContact NE-O 3Å; R530-L572 PolarHBondContact NH2-O 3.47Å; L531-L572 HydrophobicContact CB-CD1 3.84Å; L531-L572 HydrophobicContact CD1-CD2 4.12Å
573	F	95.3	Very high	77.4	Confident	12 Å²	12	86.5 Å²	86.5	5%	0.053	50%	0.497	C	S	.	.	S	Bend	trans	-149.1	127.2	177.2	-169.7	-90.2	0	0	0	108.3	T367 L396 L400 A401 I527 L576	T367-F573 HydrophobicContact CG2-CE2 4.37Å; T367-F573 WeakPolarHBondContact OG1-CE2 3.3Å; L396-F573 HydrophobicContact CB-CE1 3.99Å; L396-F573 HydrophobicContact CB-CZ 3.96Å; L396-F573 HydrophobicContact CD1-CZ 4.06Å; L400-F573 HydrophobicContact CB-CB 4.05Å; L400-F573 HydrophobicContact CB-CD1 4.06Å; L400-F573 HydrophobicContact CB-CD2 4.25Å; L400-F573 HydrophobicContact CB-CG 3.85Å; L400-F573 HydrophobicContact CD1-CD2 3.97Å; L400-F573 HydrophobicContact CD1-CE2 3.98Å; L400-F573 HydrophobicContact CD1-CG 4.4Å; L400-F573 HydrophobicContact CD1-CZ 4.42Å; A401-F573 HydrophobicContact CB-CD1 4Å; I527-F573 HydrophobicContact CD1-CD2 3.82Å; I527-F573 HydrophobicContact CD1-CE2 4.47Å; F573-L576 HydrophobicContact CE1-CD1 4.07Å; F573-L576 HydrophobicContact CE1-CD2 4.49Å; F573-L576 HydrophobicContact CE1-CG 3.96Å; F573-L576 HydrophobicContact CZ-CD1 4.05Å; F573-L576 HydrophobicContact CZ-CD2 4.44Å; F573-L576 HydrophobicContact CZ-CG 4.22Å
574	S	93.9	Very high	74.4	Confident	75 Å²	75	93.4 Å²	93.4	52%	0.524	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-76.4	135.3	177.4	-63.8	0	0	0	0	109.9	L576	S574-L576 PolarHBondContact O-N 2.79Å
575	R	93.8	Very high	71.6	Confident	160 Å²	160	97.7 Å²	97.7	60%	0.604	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-60.5	131.2	174.4	-164.6	-179.3	-179.3	109.9	0.2	109.2	N397 A401 D402	N397-R575 HydrophobicContact CB-CG 4.34Å; N397-R575 WeakPolarHBondContact OD1-CA 3.33Å; N397-R575 WeakPolarHBondContact OD1-CG 3.35Å; A401-R575 HydrophobicContact CB-CB 4.42Å; D402-R575 IonicContact OD1-CZ 3.86Å; D402-R575 IonicContact OD1-NH1 2.79Å; D402-R575 PolarHBondContact OD1-NH1 2.82Å; D402-R575 IonicContact OD2-CZ 3.16Å; D402-R575 IonicContact OD2-NH1 2.67Å; D402-R575 PolarHBondContact OD2-NH1 3.43Å; D402-R575 IonicContact OD2-NH2 3.46Å
576	L	92.9	Very high	68.6	Low	27 Å²	27	102.9 Å²	102.9	14%	0.141	57%	0.574	C	S	.	*	P	Polyproline II helix	trans	-83.1	132.6	177.9	-59.2	168.1	0	0	0	109.4	F366 L393 L396 N397 F573 S574	F366-L576 HydrophobicContact CD1-CD1 3.54Å; F366-L576 HydrophobicContact CD1-CD2 4.28Å; F366-L576 HydrophobicContact CD1-CG 4.46Å; F366-L576 HydrophobicContact CE1-CD1 4.11Å; F366-L576 HydrophobicContact CG-CD1 4.47Å; L393-L576 HydrophobicContact CD1-CB 4.39Å; L393-L576 HydrophobicContact CG-CB 4.12Å; L396-L576 HydrophobicContact CB-CD1 3.98Å; L396-L576 HydrophobicContact CD1-CD1 3.87Å; N397-L576 PolarHBondContact ND2-O 3.37Å; N397-L576 PolarHBondContact OD1-N 2.9Å; F573-L576 HydrophobicContact CE1-CD1 4.07Å; F573-L576 HydrophobicContact CE1-CD2 4.49Å; F573-L576 HydrophobicContact CE1-CG 3.96Å; F573-L576 HydrophobicContact CZ-CD1 4.05Å; F573-L576 HydrophobicContact CZ-CD2 4.44Å; F573-L576 HydrophobicContact CZ-CG 4.22Å; S574-L576 PolarHBondContact O-N 2.79Å
577	E	87.4	Confident	65.7	Low	176 Å²	176	111.7 Å²	111.7	82%	0.822	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-82.9	137.7	176.3	-64.7	-174.9	172.9	0	0	110.6	L393 Q579	L393-E577 WeakPolarHBondContact CD1-O 3.37Å; E577-Q579 PolarHBondContact O-N 3.28Å
578	T	69.9	Low	63.3	Low	99 Å²	99	114.9 Å²	114.9	61%	0.607	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-65.2	122.1	164.9	-3.9	0	0	0	0	106.6	L393 S580	L393-T578 HydrophobicContact CD1-CG2 4.1Å; T578-S580 VanDerWaalsContact C-N 3.29Å; T578-S580 PolarHBondContact O-N 2.99Å
579	Q	58.3	Low	61.2	Low	143 Å²	143	117.2 Å²	117.2	67%	0.668	63%	0.631	S	S	*	*			trans	-60.7	100.7	166.3	-68.3	-166.4	11.9	0	0	107.4	E577 G581	E577-Q579 PolarHBondContact O-N 3.28Å; Q579-G581 PolarHBondContact O-N 2.86Å
580	S	40.9	Very low	59	Low	107 Å²	107	122.7 Å²	122.7	75%	0.748	65%	0.645	S	S	*	*			trans	-56.9	127.4	167.8	28	0	0	0	0	107.1	T578 D582	T578-S580 VanDerWaalsContact C-N 3.29Å; T578-S580 PolarHBondContact O-N 2.99Å; S580-D582 PolarHBondContact O-N 3.02Å
581	G	38.8	Very low	56.5	Low	84 Å²	84	129.9 Å²	129.9	87%	0.866	67%	0.665	S	S	*	*	S	Bend	trans	-68.3	52.7	-164.8	0	0	0	0	0	116.4	Q579	Q579-G581 PolarHBondContact O-N 2.86Å
582	D	35	Very low	54	Low	144 Å²	144	130.9 Å²	130.9	77%	0.77	68%	0.678	S	S	*	*			trans	-136	16.7	179.7	-124.2	-6.2	0	0	0	114.9	S580	S580-D582 PolarHBondContact O-N 3.02Å
583	K	34.3	Very low	51.2	Low	199 Å²	199	135.3 Å²	135.3	87%	0.865	72%	0.716	S	S	*	*	S	Bend	trans	-120.8	23.6	169.2	-72	-170.5	-179.1	177.7	0	114.7
584	Q	32.7	Very low	48.3	Very low	192 Å²	192	147.8 Å²	147.8	90%	0.897	77%	0.774	S	S	*	*			trans	-105.3	51	161.8	-104.7	179.7	1.7	0	0	110.7
585	K	36	Very low	46	Very low	179 Å²	179	151.5 Å²	151.5	78%	0.778	79%	0.787	S	S	*	*	S	Bend	trans	-128	129.5	156.2	-84	-179.5	-179.9	168.6	0	108.6
586	T	34.8	Very low	43.5	Very low	129 Å²	129	151 Å²	151	79%	0.791	80%	0.796	S	S	*	*			trans	73.1	70.2	172.8	57.9	0	0	0	0	119.1
587	M	31.6	Very low	40.7	Very low	202 Å²	202	157.9 Å²	157.9	100%	0.995	83%	0.833	S	S	*	*				-118.4	70.3	124.3	-84.4	-165.2	178.1	0	0	108.3
588	K	32.8	Very low	38	Very low	191 Å²	191	156.8 Å²	156.8	83%	0.83	83%	0.833	S	S	*	*			trans	-77.2	124.2	160.5	-90.2	-176.2	175.1	179.6	0	107	K590	K588-K590 PolarHBondContact O-N 3.32Å
589	S	35	Very low	36	Very low	102 Å²	102	160.4 Å²	160.4	71%	0.713	85%	0.848	S	S	*	*			trans	-25.8	115.7	166	57.6	0	0	0	0	113.3	K591	S589-K591 PolarHBondContact O-N 2.79Å; S589-K591 VanDerWaalsContact O-N 3.14Å
590	K	30.6	Very low	34.5	Very low	210 Å²	210	161.6 Å²	161.6	91%	0.913	86%	0.86	S	S	*	*			trans	-65.6	108.7	154.8	-82.3	-177.4	174.3	179.6	0	106.8	K588	K588-K590 PolarHBondContact O-N 3.32Å
591	K	32	Very low	34	Very low	186 Å²	186	165.5 Å²	165.5	81%	0.809	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-59.3	137.7	160.7	-81.4	-178.9	171.3	-177.2	0	107.9	S589 A593	S589-K591 PolarHBondContact O-N 2.79Å; S589-K591 VanDerWaalsContact O-N 3.14Å; K591-A593 PolarHBondContact O-N 2.72Å
592	P	35.4	Very low	33.6	Very low	126 Å²	126	171.8 Å²	171.8	82%	0.818	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-68.7	130.2	164.5	28.2	-28.2	0	0	0	108.3
593	A	32.8	Very low	33.5	Very low	99 Å²	99	174.1 Å²	174.1	82%	0.818	88%	0.876	S	S	*	*	P	Polyproline II helix	trans	-79.8	132.6	170.9	0	0	0	0	0	109.1	K591	K591-A593 PolarHBondContact O-N 2.72Å
594	Q	34.3	Very low	33.5	Very low	274 Å²	274	171.8 Å²	171.8	100%	1.28	88%	0.877	S	S	*	*			trans	26.9	0	162.9	-73.5	179.6	-18.8	0	0	119.6

Retrieved 594 of 594 residues in 182.1 ms (Link to these results)

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