A0A096NSQ5_PAPAN Loading...

Putative pre-mRNA-splicing factor ATP-dependent RNA helicase DHX32

AlphaFold DB , UniProt , Accession A0A096NSQ5, Species PAPAN (Papio anubis, Olive baboon), Gene DHX32, Length 744 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	33.5	Very low	29.4	Very low	219 Å²	219	158.9 Å²	158.9	100%	1.079	87%	0.871	S	S	*	*				0	80.9	0	-76.1	176.4	60	0	0	105
2	E	31.5	Very low	29.4	Very low	174 Å²	174	154.1 Å²	154.1	81%	0.813	86%	0.857	S	S	*	*				95.7	91.1	100.4	-83.9	175.5	174.4	0	0	106.7
3	E	30.5	Very low	29.6	Very low	192 Å²	192	152.2 Å²	152.2	90%	0.897	86%	0.856	S	S	*	*				56.5	114.8	79.7	-93.3	-169.3	174.4	0	0	114.9
4	E	31.3	Very low	29.4	Very low	199 Å²	199	154.5 Å²	154.5	93%	0.93	86%	0.856	S	S	*	*			trans	172.9	121.1	134.7	-94.4	179	-171.7	0	0	105.5
5	G	27.4	Very low	29.3	Very low	68 Å²	68	156.3 Å²	156.3	70%	0.701	85%	0.852	S	S	*	*			cis	114.1	96.7	16.6	0	0	0	0	0	109.1
6	L	28.6	Very low	29.1	Very low	180 Å²	180	162.4 Å²	162.4	94%	0.942	86%	0.858	S	S	*	*			trans	-164.3	138.6	155.8	-106.2	139	0	0	0	112.4
7	E	27.2	Very low	28.9	Very low	184 Å²	184	164.9 Å²	164.9	86%	0.86	86%	0.855	S	S	*	*			trans	-86.5	153.2	-152.3	-67.8	163	140.5	0	0	115.6
8	C	27	Very low	29	Very low	122 Å²	122	167.1 Å²	167.1	82%	0.824	86%	0.858	S	S	*	*			trans	-83.2	163.8	158.6	-62	0	0	0	0	111.1
9	P	32.1	Very low	29.2	Very low	122 Å²	122	164.9 Å²	164.9	79%	0.792	86%	0.855	S	S	*	*			trans	-124.6	116.8	142.4	30.4	-15.4	0	0	0	112.8
10	N	27.5	Very low	29.3	Very low	166 Å²	166	166.1 Å²	166.1	89%	0.888	86%	0.856	S	S	*	*			trans	16.9	124	142.8	-65.1	-24.8	0	0	0	120.3
11	S	27.2	Very low	29.5	Very low	122 Å²	122	163.1 Å²	163.1	85%	0.853	85%	0.851	S	S	*	*			trans	-131.8	124	143.3	61.6	0	0	0	0	110.4
12	S	29.1	Very low	29.3	Very low	101 Å²	101	161 Å²	161	71%	0.706	84%	0.843	S	S	*	*			trans	-66.8	161.8	-178.6	43.4	0	0	0	0	114.5
13	P	31.5	Very low	29.3	Very low	129 Å²	129	159.9 Å²	159.9	84%	0.838	84%	0.842	S	S	*	*			trans	-91.5	109.6	-179.8	34.3	-26.8	0	0	0	110.6
14	E	27.1	Very low	29.3	Very low	185 Å²	185	155.8 Å²	155.8	86%	0.864	84%	0.835	S	S	*	*			trans	-92.7	112.6	173	-84.5	-172	162.5	0	0	112
15	K	27.7	Very low	29.2	Very low	182 Å²	182	152 Å²	152	79%	0.791	83%	0.83	S	S	*	*			trans	-58.6	123.5	164.3	-67.5	170.3	174	176.4	0	109.4	Y17	K15-Y17 PolarHBondContact O-N 3.45Å
16	R	26.2	Very low	29.7	Very low	253 Å²	253	156.9 Å²	156.9	96%	0.955	84%	0.84	S	S	*	*			trans	-83.5	112.3	167.1	-73	-175.3	-179.3	176.6	-0.8	109.9
17	Y	25.6	Very low	29.8	Very low	206 Å²	206	151.8 Å²	151.8	81%	0.808	83%	0.831	S	S	*	*			trans	-77.1	141.1	168.7	-96.1	-102	0	0	0	110	K15	K15-Y17 PolarHBondContact O-N 3.45Å
18	F	31.9	Very low	30.4	Very low	204 Å²	204	151.4 Å²	151.4	90%	0.895	84%	0.835	S	S	*	*			trans	-66.8	149	160	-76.4	-92.9	0	0	0	110.3
19	P	32.7	Very low	30.7	Very low	125 Å²	125	154.3 Å²	154.3	81%	0.812	84%	0.837	S	S	*	*			trans	-113.6	127.8	153.7	17.8	1.3	0	0	0	112
20	E	29.6	Very low	30.8	Very low	188 Å²	188	157.8 Å²	157.8	88%	0.879	84%	0.842	S	S	*	*			trans	-70.1	157.3	159.2	-78	175.8	142.5	0	0	111.3
21	S	34.2	Very low	31	Very low	105 Å²	105	158.1 Å²	158.1	73%	0.734	84%	0.838	S	S	*	*			trans	-27.8	152.1	171.3	45.5	0	0	0	0	119.5
22	L	30.3	Very low	31.4	Very low	175 Å²	175	158.7 Å²	158.7	92%	0.916	84%	0.837	S	S	*	*				-172.1	157.3	122.6	-95.7	165.6	0	0	0	113
23	D	30.4	Very low	31.7	Very low	149 Å²	149	160.8 Å²	160.8	80%	0.797	84%	0.839	S	S	*	*			trans	-76	157.5	-158.7	-104.5	-34.3	0	0	0	119.8
24	S	30.4	Very low	32.1	Very low	107 Å²	107	158.6 Å²	158.6	75%	0.748	83%	0.832	S	S	*	*			trans	72.2	120.6	141.8	71	0	0	0	0	122.1
25	S	30.4	Very low	32.8	Very low	118 Å²	118	155.6 Å²	155.6	83%	0.825	83%	0.83	S	S	*	*				171.6	147.5	90.8	82.3	0	0	0	0	111.6
26	D	37.2	Very low	34	Very low	171 Å²	171	154.8 Å²	154.8	91%	0.914	83%	0.829	S	S	*	*			trans	-49.1	145.6	-178.8	-62.2	-47.5	0	0	0	116.9
27	G	30.7	Very low	36	Very low	73 Å²	73	150.7 Å²	150.7	75%	0.753	83%	0.826	S	S	*	*			trans	168.2	104.2	162.2	0	0	0	0	0	112.2	E29	G27-E29 PolarHBondContact O-N 3.23Å; G27-E29 VanDerWaalsContact O-N 3.1Å
28	D	40.6	Very low	38.5	Very low	176 Å²	176	145.8 Å²	145.8	94%	0.941	81%	0.813	S	S	*	*			trans	-53.9	106.5	174.8	-65.8	-54.2	0	0	0	112
29	E	32.3	Very low	41.4	Very low	184 Å²	184	141.9 Å²	141.9	86%	0.86	80%	0.798	S	S	*	*			trans	-136.8	135	158.9	-74.2	-168.1	167.1	0	0	108.7	G27 E31	G27-E29 PolarHBondContact O-N 3.23Å; G27-E29 VanDerWaalsContact O-N 3.1Å; E29-E31 PolarHBondContact O-N 3.19Å
30	E	35.3	Very low	44.3	Very low	194 Å²	194	140.8 Å²	140.8	91%	0.907	78%	0.784	S	S	*	*			trans	-44.6	109.5	-179.8	-70.1	172.8	141.7	0	0	111.6	V32	E30-V32 VanDerWaalsContact C-N 3.26Å; E30-V32 PolarHBondContact O-N 3.11Å
31	E	31.6	Very low	47.5	Very low	173 Å²	173	131.8 Å²	131.8	81%	0.808	74%	0.743	S	S	*	*			trans	-61.8	92.6	164.7	-90.2	-178.7	156.6	0	0	108.3	E29 L33	E29-E31 PolarHBondContact O-N 3.19Å; E31-L33 PolarHBondContact O-N 3.21Å
32	V	33.8	Very low	50.4	Low	135 Å²	135	130.4 Å²	130.4	82%	0.818	73%	0.731	S	S	*	*			trans	-58.5	92.1	143.9	179.4	0	0	0	0	104.7	E30 A34	E30-V32 VanDerWaalsContact C-N 3.26Å; E30-V32 PolarHBondContact O-N 3.11Å; V32-A34 VanDerWaalsContact C-N 3.31Å; V32-A34 PolarHBondContact O-N 3.25Å
33	L	36.7	Very low	53.4	Low	144 Å²	144	124 Å²	124	75%	0.754	70%	0.696	S	S	*	*			trans	-47.1	101.2	168.9	-81	159.4	0	0	0	106.9	E31 C35	E31-L33 PolarHBondContact O-N 3.21Å; L33-C35 PolarHBondContact O-N 3.29Å; L33-C35 VanDerWaalsContact O-N 3.1Å
34	A	38.6	Very low	56.4	Low	83 Å²	83	119.2 Å²	119.2	69%	0.686	67%	0.67	S	S	*	*			trans	-54.4	119.7	163.7	0	0	0	0	0	105	V32 E36	V32-A34 VanDerWaalsContact C-N 3.31Å; V32-A34 PolarHBondContact O-N 3.25Å; A34-E36 VanDerWaalsContact C-N 3.26Å; A34-E36 PolarHBondContact O-N 2.65Å
35	C	42.1	Very low	59.4	Low	122 Å²	122	116.2 Å²	116.2	82%	0.824	66%	0.657	S	S	*	*			trans	-55.2	99.5	169.2	-74.4	0	0	0	0	107	L33 D37	L33-C35 PolarHBondContact O-N 3.29Å; L33-C35 VanDerWaalsContact O-N 3.1Å; C35-D37 PolarHBondContact O-N 3.15Å
36	E	54.3	Low	62.5	Low	165 Å²	165	115.5 Å²	115.5	77%	0.771	64%	0.643	S	S	*	*			trans	-52.8	128.1	155.5	-69.1	-175	154.2	0	0	105.5	A34 L38	A34-E36 VanDerWaalsContact C-N 3.26Å; A34-E36 PolarHBondContact O-N 2.65Å; E36-L38 PolarHBondContact O-N 2.85Å
37	D	67.4	Low	65.3	Low	168 Å²	168	110.6 Å²	110.6	90%	0.898	62%	0.62	S	S	*	*			trans	-59.6	90.6	176.7	-73.7	-39.5	0	0	0	108.2	C35 E39	C35-D37 PolarHBondContact O-N 3.15Å; D37-E39 PolarHBondContact O-N 2.95Å
38	L	78.4	Confident	68.4	Low	103 Å²	103	108.3 Å²	108.3	54%	0.539	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-62.1	130.5	179.8	-68.8	172.3	0	0	0	108.5	E36 L40 P47	E36-L38 PolarHBondContact O-N 2.85Å; L38-L40 PolarHBondContact O-N 2.92Å; L38-P47 HydrophobicContact CB-CB 3.86Å; L38-P47 HydrophobicContact CD1-CB 3.96Å
39	E	92.1	Very high	71.1	Confident	122 Å²	122	101.8 Å²	101.8	57%	0.57	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-60.8	128.7	176.5	-171.4	176.5	-166.3	0	0	109.5	D37 Y48	D37-E39 PolarHBondContact O-N 2.95Å; E39-Y48 HydrophobicContact CB-CD2 4.14Å; E39-Y48 HydrophobicContact CG-CD2 4.14Å; E39-Y48 HydrophobicContact CG-CE2 4.03Å; E39-Y48 WeakPolarHBondContact O-CD2 3.39Å; E39-Y48 PolarHBondContact O-N 3.34Å; E39-Y48 VanDerWaalsContact O-N 3.12Å
40	L	94.8	Very high	74	Confident	101 Å²	101	98.3 Å²	98.3	53%	0.529	55%	0.553	S	S	.	*	B	Isolated β-bridge	trans	-85.8	135.8	179.7	-58.4	-179.9	0	0	0	109.8	L38 L46 P47	L38-L40 PolarHBondContact O-N 2.92Å; L40-L46 CarbonylContact C-O 3.54Å; L40-L46 WeakPolarHBondContact CA-O 3.29Å; L40-P47 HydrophobicContact CD2-CB 4.32Å; L40-P47 HydrophobicContact CD2-CG 3.83Å
41	N	95.6	Very high	76.8	Confident	0 Å²	0	95.1 Å²	95.1	0%	0	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-64.2	120.8	168.9	-178.7	-11.7	0	0	0	108.8	F43 D44 G45 L46 Y48 M134 D135	N41-F43 PolarHBondContact O-N 2.91Å; N41-F43 WeakPolarHBondContact OD1-CB 3.39Å; N41-F43 VanDerWaalsContact OD1-CD2 3.27Å; N41-F43 WeakPolarHBondContact OD1-CD2 3.3Å; N41-F43 PolarHBondContact OD1-N 3.47Å; N41-D44 VanDerWaalsContact CB-OD1 3.24Å; N41-D44 WeakPolarHBondContact CB-OD1 3.46Å; N41-G45 WeakPolarHBondContact O-CA 3.34Å; N41-G45 PolarHBondContact O-N 3.16Å; N41-L46 VanDerWaalsContact CB-O 3.31Å; N41-L46 WeakPolarHBondContact CB-O 3.27Å; N41-L46 PolarHBondContact N-O 3.15Å; N41-Y48 HydrophobicContact CB-CD1 3.83Å; N41-Y48 HydrophobicContact CB-CE1 3.5Å; N41-Y48 HydrophobicContact CB-CE2 4.43Å; N41-Y48 HydrophobicContact CB-CG 4.43Å; N41-M134 PolarHBondContact ND2-O 3.32Å; N41-D135 PolarHBondContact ND2-O 3.07Å
42	P	94.9	Very high	79.8	Confident	76 Å²	76	88.1 Å²	88.1	49%	0.494	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-6.3	-173	35.7	-39.9	0	0	0	112.9	Y48 L104	P42-Y48 WeakPolarHBondContact CD-OH 3.48Å; P42-L104 HydrophobicContact CB-CD2 3.9Å; P42-L104 HydrophobicContact CG-CD2 3.98Å
43	F	94.4	Very high	82.8	Confident	39 Å²	39	85.7 Å²	85.7	17%	0.171	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-41.8	178.5	-61.5	-70.6	0	0	0	112.6	N41 A100 L104 M134 V136 E141 I157	N41-F43 PolarHBondContact O-N 2.91Å; N41-F43 WeakPolarHBondContact OD1-CB 3.39Å; N41-F43 VanDerWaalsContact OD1-CD2 3.27Å; N41-F43 WeakPolarHBondContact OD1-CD2 3.3Å; N41-F43 PolarHBondContact OD1-N 3.47Å; F43-A100 HydrophobicContact CE1-CB 4.32Å; F43-A100 HydrophobicContact CZ-CB 4.41Å; F43-L104 HydrophobicContact CD1-CD2 4.16Å; F43-L104 HydrophobicContact CE1-CB 4.32Å; F43-L104 HydrophobicContact CE1-CD2 3.83Å; F43-L104 HydrophobicContact CZ-CD2 4.21Å; F43-M134 HydrophobicContact CD1-CE 4.16Å; F43-M134 HydrophobicContact CD2-CE 3.63Å; F43-M134 HydrophobicContact CE1-CE 3.9Å; F43-M134 HydrophobicContact CE2-CE 3.37Å; F43-M134 HydrophobicContact CG-CE 4.03Å; F43-M134 HydrophobicContact CZ-CE 3.51Å; F43-V136 HydrophobicContact CB-CG1 4.23Å; F43-E141 HydrophobicContact CB-CG 4.15Å; F43-I157 HydrophobicContact CD1-CD1 3.29Å; F43-I157 HydrophobicContact CE1-CD1 3.61Å; F43-I157 HydrophobicContact CG-CD1 4.27Å
44	D	93.5	Very high	85.5	Confident	49 Å²	49	85.4 Å²	85.4	26%	0.262	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-11	-178.4	69.1	-0.2	0	0	0	114.1	N41 L46	N41-D44 VanDerWaalsContact CB-OD1 3.24Å; N41-D44 WeakPolarHBondContact CB-OD1 3.46Å; D44-L46 VanDerWaalsContact C-N 3.32Å; D44-L46 PolarHBondContact OD1-N 3.16Å
45	G	93.3	Very high	88.2	Confident	45 Å²	45	81.9 Å²	81.9	46%	0.464	44%	0.438	S	S	.	.			trans	77.7	8.4	-178.8	0	0	0	0	0	115.1	N41	N41-G45 WeakPolarHBondContact O-CA 3.34Å; N41-G45 PolarHBondContact O-N 3.16Å
46	L	94.4	Very high	90.7	Very high	102 Å²	102	77.6 Å²	77.6	53%	0.534	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-93.8	153.7	-179.3	-59.9	-179.7	0	0	0	111.6	L40 N41 D44	L40-L46 CarbonylContact C-O 3.54Å; L40-L46 WeakPolarHBondContact CA-O 3.29Å; N41-L46 VanDerWaalsContact CB-O 3.31Å; N41-L46 WeakPolarHBondContact CB-O 3.27Å; N41-L46 PolarHBondContact N-O 3.15Å; D44-L46 VanDerWaalsContact C-N 3.32Å; D44-L46 PolarHBondContact OD1-N 3.16Å
47	P	96.4	Very high	92.7	Very high	68 Å²	68	76.6 Å²	76.6	44%	0.442	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-61.4	137.4	173	-21.6	32.9	0	0	0	112	L38 L40	L38-P47 HydrophobicContact CB-CB 3.86Å; L38-P47 HydrophobicContact CD1-CB 3.96Å; L40-P47 HydrophobicContact CD2-CB 4.32Å; L40-P47 HydrophobicContact CD2-CG 3.83Å
48	Y	96.2	Very high	93.8	Very high	26 Å²	26	72.6 Å²	72.6	10%	0.102	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-60.1	139.4	175.4	-74.4	-63.8	0	0	0	112.5	E39 N41 P42 Y52 D135	E39-Y48 HydrophobicContact CB-CD2 4.14Å; E39-Y48 HydrophobicContact CG-CD2 4.14Å; E39-Y48 HydrophobicContact CG-CE2 4.03Å; E39-Y48 WeakPolarHBondContact O-CD2 3.39Å; E39-Y48 PolarHBondContact O-N 3.34Å; E39-Y48 VanDerWaalsContact O-N 3.12Å; N41-Y48 HydrophobicContact CB-CD1 3.83Å; N41-Y48 HydrophobicContact CB-CE1 3.5Å; N41-Y48 HydrophobicContact CB-CE2 4.43Å; N41-Y48 HydrophobicContact CB-CG 4.43Å; P42-Y48 WeakPolarHBondContact CD-OH 3.48Å; Y48-Y52 AromaticContact CD1-CD1 3.52Å; Y48-Y52 HydrophobicContact CD1-CD1 3.52Å; Y48-Y52 AromaticContact CD1-CD2 3.65Å; Y48-Y52 HydrophobicContact CD1-CD2 3.65Å; Y48-Y52 AromaticContact CD1-CE1 3.7Å; Y48-Y52 HydrophobicContact CD1-CE1 3.7Å; Y48-Y52 AromaticContact CD1-CE2 3.79Å; Y48-Y52 HydrophobicContact CD1-CE2 3.79Å; Y48-Y52 AromaticContact CD1-CG 3.49Å; Y48-Y52 HydrophobicContact CD1-CG 3.49Å; Y48-Y52 VanDerWaalsContact CD1-CG 3.49Å; Y48-Y52 AromaticContact CD1-CZ 3.81Å; Y48-Y52 HydrophobicContact CD2-CD1 4.19Å; Y48-Y52 AromaticContact CD2-CE1 3.92Å; Y48-Y52 HydrophobicContact CD2-CE1 3.92Å; Y48-Y52 HydrophobicContact CE1-CD1 4.13Å; Y48-Y52 AromaticContact CE1-CD2 3.78Å; Y48-Y52 HydrophobicContact CE1-CD2 3.78Å; Y48-Y52 AromaticContact CE1-CE1 3.87Å; Y48-Y52 HydrophobicContact CE1-CE1 3.87Å; Y48-Y52 AromaticContact CE1-CE2 3.47Å; Y48-Y52 HydrophobicContact CE1-CE2 3.47Å; Y48-Y52 VanDerWaalsContact CE1-CE2 3.47Å; Y48-Y52 HydrophobicContact CE1-CG 4.08Å; Y48-Y52 AromaticContact CE1-CZ 3.51Å; Y48-Y52 HydrophobicContact CE2-CE1 4.08Å; Y48-Y52 AromaticContact CG-CD1 3.54Å; Y48-Y52 HydrophobicContact CG-CD1 3.54Å; Y48-Y52 AromaticContact CG-CE1 3.71Å; Y48-Y52 HydrophobicContact CG-CE1 3.71Å; Y48-Y52 AromaticContact CG-CG 3.97Å; Y48-Y52 HydrophobicContact CG-CG 3.97Å; Y48-Y52 AromaticContact CZ-CZ 3.68Å; Y48-D135 HydrophobicContact CD1-CB 4.11Å
49	S	95.9	Very high	94.6	Very high	39 Å²	39	68 Å²	68	27%	0.273	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-75.5	160.8	177.4	81.3	0	0	0	0	112.2	R51 Y52 Y53 D135	S49-R51 PolarHBondContact O-N 3.01Å; S49-R51 WeakPolarHBondContact OG-CB 3.21Å; S49-R51 PolarHBondContact OG-N 3.43Å; S49-Y52 WeakPolarHBondContact O-CB 3.12Å; S49-Y52 PolarHBondContact O-N 2.83Å; S49-Y52 PolarHBondContact OG-N 2.9Å; S49-Y52 VanDerWaalsContact OG-N 3.13Å; S49-Y53 VanDerWaalsContact O-CD2 3.3Å; S49-Y53 WeakPolarHBondContact O-CD2 3.44Å; S49-D135 WeakPolarHBondContact CB-OD1 3.35Å; S49-D135 VanDerWaalsContact CB-OD2 3.25Å; S49-D135 WeakPolarHBondContact CB-OD2 3.45Å; S49-D135 PolarHBondContact N-OD2 2.83Å; S49-D135 VanDerWaalsContact OG-CG 3.24Å; S49-D135 PolarHBondContact OG-OD1 2.79Å; S49-D135 PolarHBondContact OG-OD2 2.79Å
50	S	93.9	Very high	94.7	Very high	111 Å²	111	66.9 Å²	66.9	78%	0.776	35%	0.346	S	S	*	.	H	α-helix	trans	-62.4	-26.4	171.2	59	0	0	0	0	112.8	K54	S50-K54 PolarHBondContact O-N 3.34Å
51	R	93.8	Very high	94.5	Very high	126 Å²	126	68.9 Å²	68.9	48%	0.475	36%	0.358	S	S	.	.	H	α-helix	trans	-68.8	-40.8	176.5	-173.5	179.1	-176.7	-154.9	-6.6	110.9	S49 Y53 K54 L55 D132	S49-R51 PolarHBondContact O-N 3.01Å; S49-R51 WeakPolarHBondContact OG-CB 3.21Å; S49-R51 PolarHBondContact OG-N 3.43Å; R51-Y53 PolarHBondContact O-N 3.48Å; R51-K54 WeakPolarHBondContact O-CB 3.2Å; R51-K54 PolarHBondContact O-N 3.06Å; R51-L55 HydrophobicContact CG-CD1 4.2Å; R51-L55 WeakPolarHBondContact O-CG 3.47Å; R51-L55 PolarHBondContact O-N 2.97Å; R51-D132 VanDerWaalsContact CZ-CG 3.49Å; R51-D132 IonicContact CZ-OD1 2.76Å; R51-D132 VanDerWaalsContact CZ-OD1 3.29Å; R51-D132 IonicContact CZ-OD2 3.76Å; R51-D132 IonicContact NH1-OD1 2.72Å; R51-D132 PolarHBondContact NH1-OD1 2.78Å; R51-D132 IonicContact NH1-OD2 3.83Å; R51-D132 IonicContact NH2-OD1 3.28Å; R51-D132 PolarHBondContact NH2-OD1 2.92Å; R51-D132 IonicContact NH2-OD2 3.51Å; R51-D132 PolarHBondContact NH2-OD2 2.95Å
52	Y	95.9	Very high	94.3	Very high	26 Å²	26	70.9 Å²	70.9	10%	0.102	37%	0.368	C	S	.	.	H	α-helix	trans	-53	-55	174.1	170.7	-99.4	0	0	0	111.6	Y48 S49 K54 L55 L56 E133 D135	Y48-Y52 AromaticContact CD1-CD1 3.52Å; Y48-Y52 HydrophobicContact CD1-CD1 3.52Å; Y48-Y52 AromaticContact CD1-CD2 3.65Å; Y48-Y52 HydrophobicContact CD1-CD2 3.65Å; Y48-Y52 AromaticContact CD1-CE1 3.7Å; Y48-Y52 HydrophobicContact CD1-CE1 3.7Å; Y48-Y52 AromaticContact CD1-CE2 3.79Å; Y48-Y52 HydrophobicContact CD1-CE2 3.79Å; Y48-Y52 AromaticContact CD1-CG 3.49Å; Y48-Y52 HydrophobicContact CD1-CG 3.49Å; Y48-Y52 VanDerWaalsContact CD1-CG 3.49Å; Y48-Y52 AromaticContact CD1-CZ 3.81Å; Y48-Y52 HydrophobicContact CD2-CD1 4.19Å; Y48-Y52 AromaticContact CD2-CE1 3.92Å; Y48-Y52 HydrophobicContact CD2-CE1 3.92Å; Y48-Y52 HydrophobicContact CE1-CD1 4.13Å; Y48-Y52 AromaticContact CE1-CD2 3.78Å; Y48-Y52 HydrophobicContact CE1-CD2 3.78Å; Y48-Y52 AromaticContact CE1-CE1 3.87Å; Y48-Y52 HydrophobicContact CE1-CE1 3.87Å; Y48-Y52 AromaticContact CE1-CE2 3.47Å; Y48-Y52 HydrophobicContact CE1-CE2 3.47Å; Y48-Y52 VanDerWaalsContact CE1-CE2 3.47Å; Y48-Y52 HydrophobicContact CE1-CG 4.08Å; Y48-Y52 AromaticContact CE1-CZ 3.51Å; Y48-Y52 HydrophobicContact CE2-CE1 4.08Å; Y48-Y52 AromaticContact CG-CD1 3.54Å; Y48-Y52 HydrophobicContact CG-CD1 3.54Å; Y48-Y52 AromaticContact CG-CE1 3.71Å; Y48-Y52 HydrophobicContact CG-CE1 3.71Å; Y48-Y52 AromaticContact CG-CG 3.97Å; Y48-Y52 HydrophobicContact CG-CG 3.97Å; Y48-Y52 AromaticContact CZ-CZ 3.68Å; S49-Y52 WeakPolarHBondContact O-CB 3.12Å; S49-Y52 PolarHBondContact O-N 2.83Å; S49-Y52 PolarHBondContact OG-N 2.9Å; S49-Y52 VanDerWaalsContact OG-N 3.13Å; Y52-K54 PolarHBondContact O-N 3.18Å; Y52-L55 CarbonylContact O-C 3.57Å; Y52-L55 PolarHBondContact O-N 3.36Å; Y52-L56 HydrophobicContact CE1-CD2 3.98Å; Y52-L56 WeakPolarHBondContact O-CB 3.34Å; Y52-L56 PolarHBondContact O-N 3Å; Y52-E133 WeakPolarHBondContact CD2-O 3.33Å; Y52-D135 HydrophobicContact CD2-CB 3.91Å; Y52-D135 HydrophobicContact CG-CB 4.22Å
53	Y	95.5	Very high	94.2	Very high	85 Å²	85	69 Å²	69	33%	0.333	36%	0.356	S	S	.	.	H	α-helix	trans	-63.4	-29.6	-177.4	-67.7	-68.7	0	0	0	113.5	S49 R51 K57	S49-Y53 VanDerWaalsContact O-CD2 3.3Å; S49-Y53 WeakPolarHBondContact O-CD2 3.44Å; R51-Y53 PolarHBondContact O-N 3.48Å; Y53-K57 PolarHBondContact O-N 3.11Å
54	K	95	Very high	94.2	Very high	137 Å²	137	67.2 Å²	67.2	60%	0.596	35%	0.348	S	S	*	.	H	α-helix	trans	-66.9	-49.3	172.2	-179.3	-177.1	173.6	-175.6	0	110.9	S50 R51 Y52 L56 K57 E58	S50-K54 PolarHBondContact O-N 3.34Å; R51-K54 WeakPolarHBondContact O-CB 3.2Å; R51-K54 PolarHBondContact O-N 3.06Å; Y52-K54 PolarHBondContact O-N 3.18Å; K54-L56 VanDerWaalsContact C-N 3.32Å; K54-L56 PolarHBondContact O-N 3.15Å; K54-K57 PolarHBondContact O-N 2.97Å; K54-E58 PolarHBondContact O-N 2.87Å
55	L	94.5	Very high	94.3	Very high	10 Å²	10	67.1 Å²	67.1	5%	0.052	34%	0.344	C	S	.	.	H	α-helix	trans	-66.3	-35	179.3	-67.3	177.2	0	0	0	111.9	R51 Y52 K57 E58 R59 D132 E133	R51-L55 HydrophobicContact CG-CD1 4.2Å; R51-L55 WeakPolarHBondContact O-CG 3.47Å; R51-L55 PolarHBondContact O-N 2.97Å; Y52-L55 CarbonylContact O-C 3.57Å; Y52-L55 PolarHBondContact O-N 3.36Å; L55-K57 VanDerWaalsContact C-N 3.33Å; L55-K57 PolarHBondContact O-N 2.91Å; L55-E58 WeakPolarHBondContact CD2-OE2 3.39Å; L55-E58 WeakPolarHBondContact O-CB 3.49Å; L55-E58 PolarHBondContact O-N 3.47Å; L55-E58 VanDerWaalsContact O-N 3.15Å; L55-R59 WeakPolarHBondContact O-CD 3.03Å; L55-R59 WeakPolarHBondContact O-CG 3.44Å; L55-R59 PolarHBondContact O-N 2.94Å; L55-D132 HydrophobicContact CD1-CB 4.15Å; L55-D132 WeakPolarHBondContact CD1-O 3.14Å; L55-E133 HydrophobicContact CD1-CG 4.42Å
56	L	95.3	Very high	94.4	Very high	32 Å²	32	73.6 Å²	73.6	17%	0.168	36%	0.359	C	S	.	.	H	α-helix	trans	-57.1	-46.1	176.1	-177	60.7	0	0	0	111.3	Y52 K54 E58 R59 E60 W65	Y52-L56 HydrophobicContact CE1-CD2 3.98Å; Y52-L56 WeakPolarHBondContact O-CB 3.34Å; Y52-L56 PolarHBondContact O-N 3Å; K54-L56 VanDerWaalsContact C-N 3.32Å; K54-L56 PolarHBondContact O-N 3.15Å; L56-E58 VanDerWaalsContact C-N 3.34Å; L56-E58 PolarHBondContact O-N 3Å; L56-R59 WeakPolarHBondContact O-CB 3.29Å; L56-R59 PolarHBondContact O-N 3.27Å; L56-R59 VanDerWaalsContact O-N 3.12Å; L56-E60 WeakPolarHBondContact O-CG 3.09Å; L56-E60 PolarHBondContact O-N 2.97Å; L56-W65 HydrophobicContact CD1-CH2 3.73Å; L56-W65 HydrophobicContact CD1-CZ2 4.1Å
57	K	94.6	Very high	94.5	Very high	144 Å²	144	71.5 Å²	71.5	63%	0.626	35%	0.347	S	S	*	.	H	α-helix	trans	-60.6	-42.4	175.5	-68.8	176.6	-177.6	178.2	0	112.3	Y53 K54 L55 R59 E60 D61	Y53-K57 PolarHBondContact O-N 3.11Å; K54-K57 PolarHBondContact O-N 2.97Å; L55-K57 VanDerWaalsContact C-N 3.33Å; L55-K57 PolarHBondContact O-N 2.91Å; K57-R59 VanDerWaalsContact C-N 3.27Å; K57-R59 PolarHBondContact O-N 3.41Å; K57-E60 PolarHBondContact O-N 3.09Å; K57-D61 PolarHBondContact O-N 3.3Å
58	E	91.9	Very high	94.5	Very high	83 Å²	83	70 Å²	70	39%	0.388	33%	0.333	S	S	.	.	H	α-helix	trans	-62.4	-36.3	175.8	-64.4	174.7	-169.8	0	0	111.9	K54 L55 L56 R129	K54-E58 PolarHBondContact O-N 2.87Å; L55-E58 WeakPolarHBondContact CD2-OE2 3.39Å; L55-E58 WeakPolarHBondContact O-CB 3.49Å; L55-E58 PolarHBondContact O-N 3.47Å; L55-E58 VanDerWaalsContact O-N 3.15Å; L56-E58 VanDerWaalsContact C-N 3.34Å; L56-E58 PolarHBondContact O-N 3Å; E58-R129 IonicContact OE2-NH2 2.91Å; E58-R129 PolarHBondContact OE2-NH2 3.27Å
59	R	94.1	Very high	94.6	Very high	8 Å²	8	78.3 Å²	78.3	3%	0.03	37%	0.366	C	S	.	.	H	α-helix	trans	-72	-38.7	178.5	-66.6	159.6	60.8	-170.1	-1.6	112	L55 L56 K57 D61 L62 W65 E133	L55-R59 WeakPolarHBondContact O-CD 3.03Å; L55-R59 WeakPolarHBondContact O-CG 3.44Å; L55-R59 PolarHBondContact O-N 2.94Å; L56-R59 WeakPolarHBondContact O-CB 3.29Å; L56-R59 PolarHBondContact O-N 3.27Å; L56-R59 VanDerWaalsContact O-N 3.12Å; K57-R59 VanDerWaalsContact C-N 3.27Å; K57-R59 PolarHBondContact O-N 3.41Å; R59-D61 PolarHBondContact O-N 2.82Å; R59-L62 VanDerWaalsContact O-CB 3.27Å; R59-L62 WeakPolarHBondContact O-CB 3.39Å; R59-L62 PolarHBondContact O-N 3.48Å; R59-W65 HydrophobicContact CB-CE3 4.05Å; R59-W65 HydrophobicContact CB-CH2 4.37Å; R59-W65 HydrophobicContact CB-CZ3 3.68Å; R59-E133 WeakPolarHBondContact CD-OE2 3.45Å; R59-E133 HydrophobicContact CG-CG 4.31Å; R59-E133 IonicContact NE-OE2 2.75Å; R59-E133 PolarHBondContact NH1-O 2.75Å
60	E	94.9	Very high	94.6	Very high	98 Å²	98	78.2 Å²	78.2	46%	0.458	37%	0.365	S	S	.	.	H	α-helix	trans	-61.6	-29.1	176.4	-73.7	-178	156.9	0	0	112.8	L56 K57 L62 W65	L56-E60 WeakPolarHBondContact O-CG 3.09Å; L56-E60 PolarHBondContact O-N 2.97Å; K57-E60 PolarHBondContact O-N 3.09Å; E60-L62 VanDerWaalsContact C-N 3.29Å; E60-L62 PolarHBondContact O-N 2.94Å; E60-W65 HydrophobicContact CG-CD2 4.21Å; E60-W65 HydrophobicContact CG-CH2 4.38Å; E60-W65 HydrophobicContact CG-CZ2 3.64Å
61	D	91.6	Very high	94.8	Very high	143 Å²	143	73 Å²	73	77%	0.765	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-14.6	176	-74.3	-24.8	0	0	0	113.4	K57 R59	K57-D61 PolarHBondContact O-N 3.3Å; R59-D61 PolarHBondContact O-N 2.82Å
62	L	90.9	Very high	95	Very high	42 Å²	42	68.9 Å²	68.9	22%	0.22	32%	0.315	C	S	.	.	S	Bend	trans	-67.7	141.4	-179.4	-66.2	171.3	0	0	0	111.5	R59 E60 I64 W65 Q94	R59-L62 VanDerWaalsContact O-CB 3.27Å; R59-L62 WeakPolarHBondContact O-CB 3.39Å; R59-L62 PolarHBondContact O-N 3.48Å; E60-L62 VanDerWaalsContact C-N 3.29Å; E60-L62 PolarHBondContact O-N 2.94Å; L62-I64 VanDerWaalsContact C-N 3.28Å; L62-I64 HydrophobicContact CB-CG2 4.17Å; L62-I64 PolarHBondContact O-N 3.06Å; L62-W65 VanDerWaalsContact O-CB 3.27Å; L62-W65 WeakPolarHBondContact O-CB 3.48Å; L62-W65 PolarHBondContact O-N 3.46Å; L62-Q94 HydrophobicContact CD1-CG 3.82Å
63	P	91.9	Very high	95.1	Very high	37 Å²	37	73 Å²	73	24%	0.24	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-56.4	-37.3	-179.3	-26.8	34.1	0	0	0	114.5	W65 C89 V237	P63-W65 PolarHBondContact O-N 3.45Å; P63-C89 HydrophobicContact CB-CB 4.17Å; P63-C89 HydrophobicContact CG-CB 4.31Å; P63-V237 HydrophobicContact CB-CG1 3.62Å
64	I	94.6	Very high	95.2	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-61.4	-28.8	178.7	-171.3	60.3	0	0	0	112.2	L62 K66 E67 V83 C89 Q94 V95 W98 V237	L62-I64 VanDerWaalsContact C-N 3.28Å; L62-I64 HydrophobicContact CB-CG2 4.17Å; L62-I64 PolarHBondContact O-N 3.06Å; I64-K66 PolarHBondContact O-N 3.17Å; I64-K66 VanDerWaalsContact O-N 3.16Å; I64-E67 HydrophobicContact CD1-CB 4.47Å; I64-E67 WeakPolarHBondContact O-CA 3.4Å; I64-E67 WeakPolarHBondContact O-CB 3.42Å; I64-E67 PolarHBondContact O-N 3.26Å; I64-V83 HydrophobicContact CD1-CG1 3.82Å; I64-C89 WeakPolarHBondContact CB-O 3.4Å; I64-C89 WeakPolarHBondContact CG2-O 3.39Å; I64-C89 PolarHBondContact N-O 3.05Å; I64-Q94 HydrophobicContact CG2-CB 3.98Å; I64-Q94 HydrophobicContact CG2-CG 3.84Å; I64-V95 HydrophobicContact CD1-CG2 4.42Å; I64-V95 HydrophobicContact CG1-CG2 4.36Å; I64-W98 HydrophobicContact CB-CH2 4.46Å; I64-W98 HydrophobicContact CD1-CH2 4.49Å; I64-W98 HydrophobicContact CD1-CZ3 4.3Å; I64-W98 HydrophobicContact CG1-CH2 3.67Å; I64-W98 HydrophobicContact CG1-CZ3 3.84Å; I64-W98 HydrophobicContact CG2-CH2 4.29Å; I64-W98 WeakPolarHBondContact O-CH2 3.45Å; I64-V237 HydrophobicContact CB-CG2 4.34Å; I64-V237 HydrophobicContact CD1-CG2 3.28Å; I64-V237 HydrophobicContact CG1-CG2 4.34Å
65	W	95.6	Very high	95.3	Very high	48 Å²	48	65 Å²	65	18%	0.182	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-60.1	-34	-171.8	-163.4	-91.7	0	0	0	112.8	L56 R59 E60 L62 P63 E67 K68 W98	L56-W65 HydrophobicContact CD1-CH2 3.73Å; L56-W65 HydrophobicContact CD1-CZ2 4.1Å; R59-W65 HydrophobicContact CB-CE3 4.05Å; R59-W65 HydrophobicContact CB-CH2 4.37Å; R59-W65 HydrophobicContact CB-CZ3 3.68Å; E60-W65 HydrophobicContact CG-CD2 4.21Å; E60-W65 HydrophobicContact CG-CH2 4.38Å; E60-W65 HydrophobicContact CG-CZ2 3.64Å; L62-W65 VanDerWaalsContact O-CB 3.27Å; L62-W65 WeakPolarHBondContact O-CB 3.48Å; L62-W65 PolarHBondContact O-N 3.46Å; P63-W65 PolarHBondContact O-N 3.45Å; W65-E67 PolarHBondContact O-N 3.17Å; W65-E67 VanDerWaalsContact O-N 3.17Å; W65-K68 WeakPolarHBondContact O-CB 3.41Å; W65-K68 PolarHBondContact O-N 2.89Å; W65-K68 VanDerWaalsContact O-N 3.08Å; W65-W98 HydrophobicContact CE3-CZ2 4.1Å
66	K	95	Very high	95.3	Very high	180 Å²	180	69.8 Å²	69.8	78%	0.783	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-60.4	-25.4	175.4	-63.7	177.6	-176	172.7	0	112.9	I64	I64-K66 PolarHBondContact O-N 3.17Å; I64-K66 VanDerWaalsContact O-N 3.16Å
67	E	96.8	Very high	95.4	Very high	59 Å²	59	74.5 Å²	74.5	28%	0.276	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-93.4	0.6	-179.2	-57.2	-58.1	139.5	0	0	113	I64 W65 Y69 S70 F71 I235 V237	I64-E67 HydrophobicContact CD1-CB 4.47Å; I64-E67 WeakPolarHBondContact O-CA 3.4Å; I64-E67 WeakPolarHBondContact O-CB 3.42Å; I64-E67 PolarHBondContact O-N 3.26Å; W65-E67 PolarHBondContact O-N 3.17Å; W65-E67 VanDerWaalsContact O-N 3.17Å; E67-Y69 PolarHBondContact O-N 2.85Å; E67-S70 WeakPolarHBondContact O-CB 3.38Å; E67-S70 PolarHBondContact O-N 3.47Å; E67-F71 WeakPolarHBondContact O-CB 3.41Å; E67-F71 PolarHBondContact O-N 3.39Å; E67-I235 HydrophobicContact CB-CG2 3.8Å; E67-I235 HydrophobicContact CG-CG2 4.01Å; E67-V237 HydrophobicContact CG-CG2 4.29Å
68	K	97.2	Very high	95.5	Very high	36 Å²	36	70 Å²	70	16%	0.157	33%	0.331	C	S	.	.	H	α-helix	trans	-51.4	-51.3	-176.5	-177.1	173.4	-177.8	171.6	0	112.7	W65 F71 M72 W98 E101	W65-K68 WeakPolarHBondContact O-CB 3.41Å; W65-K68 PolarHBondContact O-N 2.89Å; W65-K68 VanDerWaalsContact O-N 3.08Å; K68-F71 WeakPolarHBondContact O-CB 3.04Å; K68-F71 PolarHBondContact O-N 2.86Å; K68-M72 WeakPolarHBondContact O-CG 3.36Å; K68-M72 PolarHBondContact O-N 3.33Å; K68-W98 HydrophobicContact CB-CD2 4.45Å; K68-W98 HydrophobicContact CB-CH2 3.73Å; K68-W98 HydrophobicContact CB-CZ2 3.65Å; K68-W98 HydrophobicContact CB-CZ3 4.23Å; K68-W98 HydrophobicContact CD-CD2 4.35Å; K68-W98 HydrophobicContact CD-CG 4.46Å; K68-W98 HydrophobicContact CD-CZ2 4.09Å; K68-W98 VanDerWaalsContact CE-CD1 3.49Å; K68-W98 HydrophobicContact CG-CD2 3.91Å; K68-W98 HydrophobicContact CG-CE3 4.38Å; K68-W98 HydrophobicContact CG-CG 4.3Å; K68-W98 HydrophobicContact CG-CH2 4.25Å; K68-W98 HydrophobicContact CG-CZ2 3.85Å; K68-E101 VanDerWaalsContact CE-OE2 3.28Å; K68-E101 WeakPolarHBondContact CE-OE2 3.48Å; K68-E101 VanDerWaalsContact NZ-CD 3.3Å; K68-E101 IonicContact NZ-OE1 2.74Å; K68-E101 PolarHBondContact NZ-OE1 3Å; K68-E101 IonicContact NZ-OE2 3.25Å; K68-E101 PolarHBondContact NZ-OE2 3.29Å
69	Y	96.8	Very high	95.8	Very high	201 Å²	201	69 Å²	69	79%	0.788	33%	0.326	S	S	*	.	H	α-helix	trans	-66.6	-42.5	-178.5	-66	-71.7	0	0	0	112.8	E67 F71 M72 E73	E67-Y69 PolarHBondContact O-N 2.85Å; Y69-F71 VanDerWaalsContact C-N 3.27Å; Y69-F71 PolarHBondContact O-N 2.86Å; Y69-M72 PolarHBondContact O-N 2.96Å; Y69-E73 PolarHBondContact O-N 3.29Å
70	S	97.3	Very high	95.9	Very high	36 Å²	36	69.7 Å²	69.7	25%	0.252	33%	0.331	S	S	.	.	H	α-helix	trans	-60.1	-38.5	174.6	173.4	0	0	0	0	111.4	E67 K74	E67-S70 WeakPolarHBondContact O-CB 3.38Å; E67-S70 PolarHBondContact O-N 3.47Å; S70-K74 WeakPolarHBondContact O-CG 3.48Å; S70-K74 PolarHBondContact O-N 3.29Å; S70-K74 VanDerWaalsContact O-N 3.16Å
71	F	97.9	Very high	96.1	Very high	1 Å²	1	65 Å²	65	0%	0.004	31%	0.309	C	S	.	.	H	α-helix	trans	-63.7	-53.4	173.7	174	-94.7	0	0	0	112.4	E67 K68 Y69 E73 K74 L75 V83 V95 W98 I214 I235	E67-F71 WeakPolarHBondContact O-CB 3.41Å; E67-F71 PolarHBondContact O-N 3.39Å; K68-F71 WeakPolarHBondContact O-CB 3.04Å; K68-F71 PolarHBondContact O-N 2.86Å; Y69-F71 VanDerWaalsContact C-N 3.27Å; Y69-F71 PolarHBondContact O-N 2.86Å; F71-E73 VanDerWaalsContact C-N 3.29Å; F71-E73 PolarHBondContact O-N 2.81Å; F71-K74 PolarHBondContact O-N 2.79Å; F71-K74 VanDerWaalsContact O-N 3.16Å; F71-L75 HydrophobicContact CE1-CB 4.49Å; F71-L75 HydrophobicContact CE1-CD2 3.84Å; F71-L75 HydrophobicContact CZ-CD2 4.07Å; F71-L75 WeakPolarHBondContact O-CB 3.39Å; F71-L75 PolarHBondContact O-N 2.96Å; F71-V83 HydrophobicContact CD2-CG2 3.94Å; F71-V83 HydrophobicContact CE2-CG2 3.93Å; F71-V95 HydrophobicContact CE1-CG1 4.49Å; F71-V95 HydrophobicContact CE2-CG1 3.79Å; F71-V95 HydrophobicContact CZ-CG1 3.71Å; F71-W98 HydrophobicContact CB-CE3 4.27Å; F71-W98 HydrophobicContact CB-CZ3 4.23Å; F71-W98 HydrophobicContact CD1-CB 4.16Å; F71-W98 HydrophobicContact CD1-CD2 4.45Å; F71-W98 AromaticContact CD1-CE3 3.61Å; F71-W98 HydrophobicContact CD1-CE3 3.61Å; F71-W98 HydrophobicContact CD1-CZ3 4.38Å; F71-W98 HydrophobicContact CE1-CB 3.93Å; F71-W98 HydrophobicContact CE1-CE3 4.16Å; F71-W98 AromaticContact CG-CE3 3.97Å; F71-W98 HydrophobicContact CG-CE3 3.97Å; F71-W98 HydrophobicContact CG-CZ3 4.3Å; F71-I214 HydrophobicContact CE2-CD1 4.03Å; F71-I214 HydrophobicContact CE2-CG2 4.29Å; F71-I214 HydrophobicContact CZ-CD1 4.05Å; F71-I214 HydrophobicContact CZ-CG1 4.42Å; F71-I235 VanDerWaalsContact CA-CD1 3.42Å; F71-I235 HydrophobicContact CB-CD1 3.67Å; F71-I235 HydrophobicContact CD2-CD1 3.59Å; F71-I235 HydrophobicContact CG-CD1 4.11Å
72	M	97.8	Very high	96.4	Very high	41 Å²	41	58.2 Å²	58.2	20%	0.202	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-39.6	-178.5	-66.7	-61.6	-80.3	0	0	111.9	K68 Y69 L75 L76 W98	K68-M72 WeakPolarHBondContact O-CG 3.36Å; K68-M72 PolarHBondContact O-N 3.33Å; Y69-M72 PolarHBondContact O-N 2.96Å; M72-L75 PolarHBondContact O-N 3.42Å; M72-L75 HydrophobicContact SD-CD2 4.48Å; M72-L76 VanDerWaalsContact O-CG 3.3Å; M72-L76 WeakPolarHBondContact O-CG 3.09Å; M72-L76 PolarHBondContact O-N 3.46Å; M72-L76 VanDerWaalsContact O-N 3.07Å; M72-W98 HydrophobicContact SD-CB 4.01Å
73	E	97.4	Very high	96.7	Very high	112 Å²	112	56.2 Å²	56.2	52%	0.523	26%	0.262	S	S	.	.	H	α-helix	trans	-60.8	-48.7	174.6	-176.7	179.8	-167.8	0	0	111.9	Y69 F71 L75 L76 Q77	Y69-E73 PolarHBondContact O-N 3.29Å; F71-E73 VanDerWaalsContact C-N 3.29Å; F71-E73 PolarHBondContact O-N 2.81Å; E73-L75 VanDerWaalsContact C-N 3.34Å; E73-L75 PolarHBondContact O-N 3.2Å; E73-L76 PolarHBondContact O-N 3.1Å; E73-Q77 WeakPolarHBondContact O-CG 3.19Å; E73-Q77 PolarHBondContact O-N 2.79Å; E73-Q77 VanDerWaalsContact O-N 3.15Å; E73-Q77 PolarHBondContact OE1-NE2 2.73Å
74	K	97.6	Very high	96.8	Very high	53 Å²	53	54.5 Å²	54.5	23%	0.23	25%	0.251	C	S	.	.	H	α-helix	trans	-65.2	-37.9	179.2	-76.2	170.7	-178.3	163.7	0	112.3	S70 F71 L76 Q77 N78 V81 P233 L234 I235	S70-K74 WeakPolarHBondContact O-CG 3.48Å; S70-K74 PolarHBondContact O-N 3.29Å; S70-K74 VanDerWaalsContact O-N 3.16Å; F71-K74 PolarHBondContact O-N 2.79Å; F71-K74 VanDerWaalsContact O-N 3.16Å; K74-L76 VanDerWaalsContact C-N 3.34Å; K74-Q77 PolarHBondContact O-N 3.32Å; K74-N78 WeakPolarHBondContact O-CB 3.19Å; K74-N78 PolarHBondContact O-N 3.32Å; K74-N78 PolarHBondContact O-ND2 2.96Å; K74-V81 HydrophobicContact CB-CG1 4.33Å; K74-V81 HydrophobicContact CB-CG2 4.18Å; K74-P233 HydrophobicContact CD-CB 4.43Å; K74-L234 PolarHBondContact NZ-O 3.23Å; K74-I235 HydrophobicContact CD-CD1 3.85Å; K74-I235 HydrophobicContact CD-CG1 3.5Å
75	L	96.9	Very high	96.6	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-42.4	176.4	179.7	56	0	0	0	111.7	F71 M72 E73 N78 Y102 K212 I214	F71-L75 HydrophobicContact CE1-CB 4.49Å; F71-L75 HydrophobicContact CE1-CD2 3.84Å; F71-L75 HydrophobicContact CZ-CD2 4.07Å; F71-L75 WeakPolarHBondContact O-CB 3.39Å; F71-L75 PolarHBondContact O-N 2.96Å; M72-L75 PolarHBondContact O-N 3.42Å; M72-L75 HydrophobicContact SD-CD2 4.48Å; E73-L75 VanDerWaalsContact C-N 3.34Å; E73-L75 PolarHBondContact O-N 3.2Å; L75-N78 VanDerWaalsContact O-O 3.05Å; L75-Y102 HydrophobicContact CD2-CD1 4.05Å; L75-Y102 HydrophobicContact CD2-CD2 4.41Å; L75-Y102 HydrophobicContact CD2-CG 3.84Å; L75-Y102 HydrophobicContact CG-CD1 4.49Å; L75-Y102 HydrophobicContact CG-CG 4.43Å; L75-K212 HydrophobicContact CD1-CB 3.87Å; L75-K212 HydrophobicContact CD1-CD 4.18Å; L75-K212 HydrophobicContact CD1-CG 3.85Å; L75-K212 WeakPolarHBondContact O-CE 3.14Å; L75-K212 PolarHBondContact O-NZ 3.42Å; L75-I214 HydrophobicContact CD1-CD1 3.81Å
76	L	96.1	Very high	96	Very high	110 Å²	110	53.7 Å²	53.7	58%	0.576	25%	0.251	S	S	*	.	H	α-helix	trans	-64.3	-43.2	176.9	-72.4	168	0	0	0	111.8	M72 E73 K74 Y102	M72-L76 VanDerWaalsContact O-CG 3.3Å; M72-L76 WeakPolarHBondContact O-CG 3.09Å; M72-L76 PolarHBondContact O-N 3.46Å; M72-L76 VanDerWaalsContact O-N 3.07Å; E73-L76 PolarHBondContact O-N 3.1Å; K74-L76 VanDerWaalsContact C-N 3.34Å; L76-Y102 HydrophobicContact CD2-CD2 4.09Å; L76-Y102 HydrophobicContact CD2-CE2 3.64Å
77	Q	96.3	Very high	95.1	Very high	132 Å²	132	47 Å²	47	62%	0.617	23%	0.229	S	C	*	.	H	α-helix	trans	-83.6	-22.4	-172.2	-67.9	173.3	7.5	0	0	114.5	E73 K74	E73-Q77 WeakPolarHBondContact O-CG 3.19Å; E73-Q77 PolarHBondContact O-N 2.79Å; E73-Q77 VanDerWaalsContact O-N 3.15Å; E73-Q77 PolarHBondContact OE1-NE2 2.73Å; K74-Q77 PolarHBondContact O-N 3.32Å
78	N	97.3	Very high	94.3	Very high	49 Å²	49	47.3 Å²	47.3	26%	0.262	23%	0.229	S	C	.	.			trans	-127.8	154.2	-169.8	-55.9	-86.8	0	0	0	111.6	K74 L75 V81 K212 P233	K74-N78 WeakPolarHBondContact O-CB 3.19Å; K74-N78 PolarHBondContact O-N 3.32Å; K74-N78 PolarHBondContact O-ND2 2.96Å; L75-N78 VanDerWaalsContact O-O 3.05Å; N78-V81 HydrophobicContact CB-CG2 4.27Å; N78-K212 WeakPolarHBondContact O-CD 3.4Å; N78-K212 PolarHBondContact O-NZ 3.49Å; N78-P233 HydrophobicContact CB-CG 3.7Å; N78-P233 VanDerWaalsContact OD1-CG 3.27Å; N78-P233 WeakPolarHBondContact OD1-CG 3.31Å
79	Q	97.3	Very high	93.8	Very high	61 Å²	61	45.7 Å²	45.7	29%	0.285	22%	0.223	S	C	.	.	S	Bend	trans	-83.6	-37	176	-160.3	-174.3	11.9	0	0	111.8	L205 R208 L211 K212 L213	Q79-L205 HydrophobicContact CG-CD2 3.97Å; Q79-L205 PolarHBondContact NE2-O 3.33Å; Q79-R208 PolarHBondContact NE2-O 2.77Å; Q79-L211 WeakPolarHBondContact CG-O 3.02Å; Q79-L211 PolarHBondContact NE2-O 3.25Å; Q79-K212 CarbonylContact O-C 3.07Å; Q79-K212 WeakPolarHBondContact O-CA 2.94Å; Q79-L213 PolarHBondContact O-N 2.77Å
80	I	97.8	Very high	93.5	Very high	23 Å²	23	36.6 Å²	36.6	12%	0.118	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.1	178.5	-45.4	177.8	0	0	0	109.4	L205 L213 I215 Y229 L232 P233	I80-L205 HydrophobicContact CD1-CD1 3.73Å; I80-L205 HydrophobicContact CG1-CD1 3.88Å; I80-L213 CarbonylContact C-O 3.36Å; I80-L213 VanDerWaalsContact CA-O 3.26Å; I80-L213 WeakPolarHBondContact CA-O 3.33Å; I80-L213 HydrophobicContact CG1-CB 4.36Å; I80-L213 HydrophobicContact CG2-CB 4.31Å; I80-L213 HydrophobicContact CG2-CD2 4.27Å; I80-L213 HydrophobicContact CG2-CG 4.28Å; I80-I215 HydrophobicContact CG2-CD1 4.11Å; I80-I215 HydrophobicContact CG2-CG1 4.49Å; I80-Y229 HydrophobicContact CD1-CD1 3.98Å; I80-Y229 HydrophobicContact CD1-CE1 4.08Å; I80-L232 HydrophobicContact CB-CD1 4.09Å; I80-L232 HydrophobicContact CB-CD2 4.23Å; I80-L232 HydrophobicContact CD1-CD1 4.48Å; I80-L232 HydrophobicContact CD1-CD2 4.45Å; I80-L232 HydrophobicContact CG2-CD1 3.57Å; I80-P233 WeakPolarHBondContact O-CD 3.41Å
81	V	97.8	Very high	93.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.5	175	-178.3	0	0	0	0	109.7	K74 N78 L213 I214 I215 I235	K74-V81 HydrophobicContact CB-CG1 4.33Å; K74-V81 HydrophobicContact CB-CG2 4.18Å; N78-V81 HydrophobicContact CB-CG2 4.27Å; V81-L213 PolarHBondContact N-O 3.41Å; V81-I214 HydrophobicContact CB-CD1 4Å; V81-I214 HydrophobicContact CG2-CD1 4.49Å; V81-I214 WeakPolarHBondContact O-CA 3.29Å; V81-I215 PolarHBondContact O-N 2.51Å; V81-I235 HydrophobicContact CG1-CD1 3.84Å; V81-I235 HydrophobicContact CG1-CG1 4.42Å
82	I	97.6	Very high	93.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.8	173	-57.3	177.9	0	0	0	109	I215 I222 L225 L232 P233 L234 I235	I82-I215 WeakPolarHBondContact CA-O 3.39Å; I82-I215 HydrophobicContact CG1-CB 4.37Å; I82-I222 HydrophobicContact CG2-CD1 3.65Å; I82-L225 HydrophobicContact CD1-CB 4.08Å; I82-L232 HydrophobicContact CD1-CB 3.92Å; I82-L232 HydrophobicContact CD1-CD1 3.94Å; I82-L232 HydrophobicContact CD1-CG 4.47Å; I82-L232 HydrophobicContact CG1-CB 4.17Å; I82-L232 HydrophobicContact CG1-CD1 4.07Å; I82-P233 PolarHBondContact N-O 2.83Å; I82-L234 HydrophobicContact CB-CD1 3.99Å; I82-L234 HydrophobicContact CG2-CD1 3.69Å; I82-L234 WeakPolarHBondContact O-CA 3.49Å; I82-I235 PolarHBondContact O-N 3.07Å
83	V	97.2	Very high	93.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	109	170.8	-172.1	0	0	0	0	108.5	I64 F71 K91 V95 I214 I215 N216 S217 I235	I64-V83 HydrophobicContact CD1-CG1 3.82Å; F71-V83 HydrophobicContact CD2-CG2 3.94Å; F71-V83 HydrophobicContact CE2-CG2 3.93Å; V83-K91 HydrophobicContact CG1-CD 4.08Å; V83-K91 HydrophobicContact CG1-CG 4.13Å; V83-V95 HydrophobicContact CG1-CG2 4.33Å; V83-I214 HydrophobicContact CG2-CG2 3.93Å; V83-I215 PolarHBondContact N-O 3.24Å; V83-N216 WeakPolarHBondContact CB-OD1 3.42Å; V83-N216 WeakPolarHBondContact O-CA 3.27Å; V83-S217 PolarHBondContact O-N 3Å; V83-I235 HydrophobicContact CG2-CD1 4.42Å
84	S	94.6	Very high	93.1	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	135.8	179.2	-177.1	0	0	0	0	110.6	S217 P219 I235 E236 V237	S84-S217 WeakPolarHBondContact CA-O 3.45Å; S84-P219 WeakPolarHBondContact OG-CA 3.47Å; S84-I235 PolarHBondContact N-O 3.5Å; S84-E236 WeakPolarHBondContact O-CA 3.29Å; S84-V237 PolarHBondContact O-N 2.81Å
85	G	90.3	Very high	93.1	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.6	165.6	170.7	0	0	0	0	0	111.9	K91 S217	G85-K91 PolarHBondContact O-NZ 3.23Å; G85-S217 PolarHBondContact N-O 2.9Å
86	D	83	Confident	93.2	Very high	31 Å²	31	26.5 Å²	26.5	17%	0.166	14%	0.141	C	C	.	.			trans	-62.7	163.5	179.4	-61.5	-34.9	0	0	0	112.6	C89 K91 S239 Q390	D86-C89 PolarHBondContact O-N 3.36Å; D86-C89 PolarHBondContact O-SG 2.83Å; D86-K91 PolarHBondContact O-NZ 3.03Å; D86-S239 WeakPolarHBondContact OD2-CB 3.31Å; D86-S239 VanDerWaalsContact OD2-O 3.13Å; D86-Q390 HydrophobicContact CB-CG 4.4Å; D86-Q390 PolarHBondContact OD1-NE2 2.94Å
87	A	76.7	Confident	93.3	Very high	40 Å²	40	21.5 Å²	21.5	33%	0.331	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	147.6	167.7	0	0	0	0	0	109.9	C89 Q390	A87-C89 PolarHBondContact O-N 3.31Å; A87-C89 VanDerWaalsContact O-N 3.16Å; A87-Q390 HydrophobicContact CB-CB 4.04Å
88	K	78.8	Confident	93.4	Very high	64 Å²	64	15.2 Å²	15.2	28%	0.278	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	9.4	179.8	-50.6	-177.5	176.1	-174	0	116.3	G90 I347 S349 I391	K88-G90 PolarHBondContact O-N 2.98Å; K88-I347 VanDerWaalsContact CE-O 3.28Å; K88-I347 WeakPolarHBondContact CE-O 3.28Å; K88-I347 PolarHBondContact NZ-O 2.87Å; K88-S349 PolarHBondContact NZ-O 2.75Å; K88-I391 PolarHBondContact NZ-O 3.12Å
89	C	87.3	Confident	93.5	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.02	7%	0.072	C	C	.	.	S	Bend	trans	-76.9	-5.7	174.8	75.6	0	0	0	0	114.2	P63 I64 D86 A87 K91 V237	P63-C89 HydrophobicContact CB-CB 4.17Å; P63-C89 HydrophobicContact CG-CB 4.31Å; I64-C89 WeakPolarHBondContact CB-O 3.4Å; I64-C89 WeakPolarHBondContact CG2-O 3.39Å; I64-C89 PolarHBondContact N-O 3.05Å; D86-C89 PolarHBondContact O-N 3.36Å; D86-C89 PolarHBondContact O-SG 2.83Å; A87-C89 PolarHBondContact O-N 3.31Å; A87-C89 VanDerWaalsContact O-N 3.16Å; C89-K91 WeakPolarHBondContact SG-CG 3.26Å; C89-V237 HydrophobicContact CB-CG1 3.97Å
90	G	90.5	Very high	93.5	Very high	9 Å²	9	10 Å²	10	9%	0.093	6%	0.059	C	C	.	.	S	Bend	trans	102.5	6.4	173.7	0	0	0	0	0	116.1	K88 S92 S93 Q94	K88-G90 PolarHBondContact O-N 2.98Å; G90-S92 PolarHBondContact O-N 3.16Å; G90-S93 PolarHBondContact O-N 2.94Å; G90-S93 PolarHBondContact O-OG 3.4Å; G90-Q94 WeakPolarHBondContact O-CB 3.45Å; G90-Q94 WeakPolarHBondContact O-CG 3.39Å; G90-Q94 PolarHBondContact O-N 2.88Å
91	K	93.9	Very high	93.5	Very high	15 Å²	15	11.9 Å²	11.9	7%	0.065	7%	0.067	C	C	.	.	H	α-helix	trans	-54.2	-55	-176.5	-56	-178.4	-58.4	-70.1	0	112.4	V83 G85 D86 C89 S93 V95 P96	V83-K91 HydrophobicContact CG1-CD 4.08Å; V83-K91 HydrophobicContact CG1-CG 4.13Å; G85-K91 PolarHBondContact O-NZ 3.23Å; D86-K91 PolarHBondContact O-NZ 3.03Å; C89-K91 WeakPolarHBondContact SG-CG 3.26Å; K91-S93 VanDerWaalsContact C-N 3.28Å; K91-S93 PolarHBondContact O-N 3.12Å; K91-V95 HydrophobicContact CB-CG2 4.48Å; K91-V95 WeakPolarHBondContact O-CB 3.4Å; K91-V95 WeakPolarHBondContact O-CG2 3.26Å; K91-V95 PolarHBondContact O-N 2.99Å; K91-P96 WeakPolarHBondContact O-CD 3.4Å
92	S	94.6	Very high	93.5	Very high	10 Å²	10	13 Å²	13	7%	0.07	7%	0.072	C	C	.	.	H	α-helix	trans	-67.3	-24.1	-171.7	-46.5	0	0	0	0	114.6	G90 P96 Y160 D185	G90-S92 PolarHBondContact O-N 3.16Å; S92-P96 WeakPolarHBondContact O-CG 3.42Å; S92-Y160 PolarHBondContact O-OH 3.32Å; S92-D185 WeakPolarHBondContact CA-OD2 3.48Å; S92-D185 WeakPolarHBondContact CB-OD2 3.28Å; S92-D185 PolarHBondContact OG-OD2 3.38Å
93	S	95.4	Very high	93.5	Very high	8 Å²	8	13 Å²	13	6%	0.056	7%	0.072	C	C	.	.	H	α-helix	trans	-96.7	-42.5	176.7	55	0	0	0	0	112.7	G90 K91 Q97	G90-S93 PolarHBondContact O-N 2.94Å; G90-S93 PolarHBondContact O-OG 3.4Å; K91-S93 VanDerWaalsContact C-N 3.28Å; K91-S93 PolarHBondContact O-N 3.12Å; S93-Q97 WeakPolarHBondContact O-CG 3.46Å; S93-Q97 PolarHBondContact O-NE2 2.88Å
94	Q	97.7	Very high	93.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-88.1	-39	-171.4	-53.9	-45.4	-65.7	0	0	113.6	L62 I64 G90 Q97 W98 E133	L62-Q94 HydrophobicContact CD1-CG 3.82Å; I64-Q94 HydrophobicContact CG2-CB 3.98Å; I64-Q94 HydrophobicContact CG2-CG 3.84Å; G90-Q94 WeakPolarHBondContact O-CB 3.45Å; G90-Q94 WeakPolarHBondContact O-CG 3.39Å; G90-Q94 PolarHBondContact O-N 2.88Å; Q94-Q97 PolarHBondContact O-N 2.92Å; Q94-W98 HydrophobicContact CB-CH2 4.3Å; Q94-W98 HydrophobicContact CB-CZ2 3.81Å; Q94-W98 VanDerWaalsContact O-CG 3.27Å; Q94-W98 PolarHBondContact O-N 3.43Å; Q94-W98 VanDerWaalsContact O-N 3.1Å; Q94-E133 PolarHBondContact NE2-OE2 3Å
95	V	98.3	Very high	93.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.8	-43.8	-177.4	175.5	0	0	0	0	111.8	I64 F71 V83 K91 Q97 W98 C99 I183 I214	I64-V95 HydrophobicContact CD1-CG2 4.42Å; I64-V95 HydrophobicContact CG1-CG2 4.36Å; F71-V95 HydrophobicContact CE1-CG1 4.49Å; F71-V95 HydrophobicContact CE2-CG1 3.79Å; F71-V95 HydrophobicContact CZ-CG1 3.71Å; V83-V95 HydrophobicContact CG1-CG2 4.33Å; K91-V95 HydrophobicContact CB-CG2 4.48Å; K91-V95 WeakPolarHBondContact O-CB 3.4Å; K91-V95 WeakPolarHBondContact O-CG2 3.26Å; K91-V95 PolarHBondContact O-N 2.99Å; V95-Q97 VanDerWaalsContact C-N 3.33Å; V95-Q97 PolarHBondContact O-N 3.26Å; V95-W98 HydrophobicContact CG2-CE3 4.35Å; V95-W98 HydrophobicContact CG2-CZ3 4.34Å; V95-W98 PolarHBondContact O-N 3.45Å; V95-C99 PolarHBondContact O-N 2.78Å; V95-C99 PolarHBondContact O-SG 3.14Å; V95-I183 HydrophobicContact CG1-CD1 4.48Å; V95-I214 HydrophobicContact CG1-CG2 3.92Å
96	P	98.5	Very high	93.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.5	-35.1	176.6	-24.4	37.1	0	0	0	113.9	K91 S92 C99 A100 C115 L158 Y160 I183	K91-P96 WeakPolarHBondContact O-CD 3.4Å; S92-P96 WeakPolarHBondContact O-CG 3.42Å; P96-C99 WeakPolarHBondContact O-CB 3.46Å; P96-C99 PolarHBondContact O-N 2.94Å; P96-A100 PolarHBondContact O-N 2.91Å; P96-C115 HydrophobicContact CB-CB 4.38Å; P96-C115 HydrophobicContact CG-CB 4.09Å; P96-L158 HydrophobicContact CB-CD1 3.7Å; P96-L158 HydrophobicContact CB-CD2 4.09Å; P96-Y160 WeakPolarHBondContact CB-OH 3.4Å; P96-Y160 HydrophobicContact CG-CE1 4.26Å; P96-Y160 WeakPolarHBondContact CG-OH 3.35Å; P96-I183 VanDerWaalsContact CA-CD1 3.47Å; P96-I183 HydrophobicContact CB-CD1 3.69Å; P96-I183 HydrophobicContact CG-CD1 3.64Å
97	Q	98.4	Very high	94.4	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.023	15%	0.149	C	C	.	.	H	α-helix	trans	-64.1	-42.6	174.7	-68	-179.7	65.2	0	0	111.7	S93 Q94 V95 C99 A100 E101 V130 E133 M134	S93-Q97 WeakPolarHBondContact O-CG 3.46Å; S93-Q97 PolarHBondContact O-NE2 2.88Å; Q94-Q97 PolarHBondContact O-N 2.92Å; V95-Q97 VanDerWaalsContact C-N 3.33Å; V95-Q97 PolarHBondContact O-N 3.26Å; Q97-C99 VanDerWaalsContact C-N 3.29Å; Q97-C99 PolarHBondContact O-N 3.08Å; Q97-A100 WeakPolarHBondContact O-CA 3.43Å; Q97-A100 WeakPolarHBondContact O-CB 3.41Å; Q97-A100 PolarHBondContact O-N 2.88Å; Q97-A100 VanDerWaalsContact O-N 3.08Å; Q97-E101 WeakPolarHBondContact O-CG 3.26Å; Q97-E101 PolarHBondContact O-N 3.03Å; Q97-V130 HydrophobicContact CG-CG1 3.6Å; Q97-E133 PolarHBondContact NE2-OE2 3.45Å; Q97-M134 HydrophobicContact CG-CG 3.84Å; Q97-M134 HydrophobicContact CG-SD 3.79Å
98	W	98.5	Very high	95.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.4	-32.7	176.4	-55.2	-21.3	0	0	0	112.5	I64 W65 K68 F71 M72 Q94 V95 A100 E101 Y102	I64-W98 HydrophobicContact CB-CH2 4.46Å; I64-W98 HydrophobicContact CD1-CH2 4.49Å; I64-W98 HydrophobicContact CD1-CZ3 4.3Å; I64-W98 HydrophobicContact CG1-CH2 3.67Å; I64-W98 HydrophobicContact CG1-CZ3 3.84Å; I64-W98 HydrophobicContact CG2-CH2 4.29Å; I64-W98 WeakPolarHBondContact O-CH2 3.45Å; W65-W98 HydrophobicContact CE3-CZ2 4.1Å; K68-W98 HydrophobicContact CB-CD2 4.45Å; K68-W98 HydrophobicContact CB-CH2 3.73Å; K68-W98 HydrophobicContact CB-CZ2 3.65Å; K68-W98 HydrophobicContact CB-CZ3 4.23Å; K68-W98 HydrophobicContact CD-CD2 4.35Å; K68-W98 HydrophobicContact CD-CG 4.46Å; K68-W98 HydrophobicContact CD-CZ2 4.09Å; K68-W98 VanDerWaalsContact CE-CD1 3.49Å; K68-W98 HydrophobicContact CG-CD2 3.91Å; K68-W98 HydrophobicContact CG-CE3 4.38Å; K68-W98 HydrophobicContact CG-CG 4.3Å; K68-W98 HydrophobicContact CG-CH2 4.25Å; K68-W98 HydrophobicContact CG-CZ2 3.85Å; F71-W98 HydrophobicContact CB-CE3 4.27Å; F71-W98 HydrophobicContact CB-CZ3 4.23Å; F71-W98 HydrophobicContact CD1-CB 4.16Å; F71-W98 HydrophobicContact CD1-CD2 4.45Å; F71-W98 AromaticContact CD1-CE3 3.61Å; F71-W98 HydrophobicContact CD1-CE3 3.61Å; F71-W98 HydrophobicContact CD1-CZ3 4.38Å; F71-W98 HydrophobicContact CE1-CB 3.93Å; F71-W98 HydrophobicContact CE1-CE3 4.16Å; F71-W98 AromaticContact CG-CE3 3.97Å; F71-W98 HydrophobicContact CG-CE3 3.97Å; F71-W98 HydrophobicContact CG-CZ3 4.3Å; M72-W98 HydrophobicContact SD-CB 4.01Å; Q94-W98 HydrophobicContact CB-CH2 4.3Å; Q94-W98 HydrophobicContact CB-CZ2 3.81Å; Q94-W98 VanDerWaalsContact O-CG 3.27Å; Q94-W98 PolarHBondContact O-N 3.43Å; Q94-W98 VanDerWaalsContact O-N 3.1Å; V95-W98 HydrophobicContact CG2-CE3 4.35Å; V95-W98 HydrophobicContact CG2-CZ3 4.34Å; V95-W98 PolarHBondContact O-N 3.45Å; W98-A100 VanDerWaalsContact C-N 3.32Å; W98-E101 PolarHBondContact O-N 3.16Å; W98-Y102 PolarHBondContact O-N 3.41Å
99	C	98.6	Very high	96.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.7	-37	170.4	-62.7	0	0	0	0	111.4	V95 P96 Q97 Y102 C103 V113 V181 I183	V95-C99 PolarHBondContact O-N 2.78Å; V95-C99 PolarHBondContact O-SG 3.14Å; P96-C99 WeakPolarHBondContact O-CB 3.46Å; P96-C99 PolarHBondContact O-N 2.94Å; Q97-C99 VanDerWaalsContact C-N 3.29Å; Q97-C99 PolarHBondContact O-N 3.08Å; C99-Y102 WeakPolarHBondContact O-CB 3.49Å; C99-Y102 PolarHBondContact O-N 3.26Å; C99-C103 PolarHBondContact O-N 3.35Å; C99-C103 PolarHBondContact O-SG 3.24Å; C99-V113 HydrophobicContact CB-CG1 3.87Å; C99-V113 HydrophobicContact CB-CG2 3.86Å; C99-V181 HydrophobicContact CB-CB 4.28Å; C99-V181 HydrophobicContact CB-CG1 3.93Å; C99-V181 HydrophobicContact CB-CG2 4.34Å; C99-I183 HydrophobicContact CB-CD1 4.19Å
100	A	98.1	Very high	96.4	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-67.5	-41.9	175	0	0	0	0	0	111.4	F43 P96 Q97 W98 Y102 C103 L104 V113 M134	F43-A100 HydrophobicContact CE1-CB 4.32Å; F43-A100 HydrophobicContact CZ-CB 4.41Å; P96-A100 PolarHBondContact O-N 2.91Å; Q97-A100 WeakPolarHBondContact O-CA 3.43Å; Q97-A100 WeakPolarHBondContact O-CB 3.41Å; Q97-A100 PolarHBondContact O-N 2.88Å; Q97-A100 VanDerWaalsContact O-N 3.08Å; W98-A100 VanDerWaalsContact C-N 3.32Å; A100-Y102 VanDerWaalsContact C-N 3.3Å; A100-Y102 PolarHBondContact O-N 3.1Å; A100-C103 PolarHBondContact O-N 2.89Å; A100-L104 WeakPolarHBondContact O-CB 3.14Å; A100-L104 PolarHBondContact O-N 3.37Å; A100-V113 HydrophobicContact CB-CG2 4.3Å; A100-M134 HydrophobicContact CB-CE 4.42Å
101	E	97.3	Very high	96.7	Very high	62 Å²	62	35.7 Å²	35.7	29%	0.29	18%	0.181	S	C	.	.	H	α-helix	trans	-56.9	-42.7	170.6	-69.2	173.2	-154.8	0	0	111.3	K68 Q97 W98 L104 S105	K68-E101 VanDerWaalsContact CE-OE2 3.28Å; K68-E101 WeakPolarHBondContact CE-OE2 3.48Å; K68-E101 VanDerWaalsContact NZ-CD 3.3Å; K68-E101 IonicContact NZ-OE1 2.74Å; K68-E101 PolarHBondContact NZ-OE1 3Å; K68-E101 IonicContact NZ-OE2 3.25Å; K68-E101 PolarHBondContact NZ-OE2 3.29Å; Q97-E101 WeakPolarHBondContact O-CG 3.26Å; Q97-E101 PolarHBondContact O-N 3.03Å; W98-E101 PolarHBondContact O-N 3.16Å; E101-L104 PolarHBondContact O-N 3.12Å; E101-S105 PolarHBondContact O-N 3.47Å
102	Y	97.9	Very high	96.8	Very high	24 Å²	24	35.6 Å²	35.6	9%	0.094	18%	0.184	C	C	.	.	H	α-helix	trans	-61.3	-51.6	174.6	168.4	-106.8	0	0	0	111.7	L75 L76 W98 C99 A100 L104 S105 I106 V181 K212	L75-Y102 HydrophobicContact CD2-CD1 4.05Å; L75-Y102 HydrophobicContact CD2-CD2 4.41Å; L75-Y102 HydrophobicContact CD2-CG 3.84Å; L75-Y102 HydrophobicContact CG-CD1 4.49Å; L75-Y102 HydrophobicContact CG-CG 4.43Å; L76-Y102 HydrophobicContact CD2-CD2 4.09Å; L76-Y102 HydrophobicContact CD2-CE2 3.64Å; W98-Y102 PolarHBondContact O-N 3.41Å; C99-Y102 WeakPolarHBondContact O-CB 3.49Å; C99-Y102 PolarHBondContact O-N 3.26Å; A100-Y102 VanDerWaalsContact C-N 3.3Å; A100-Y102 PolarHBondContact O-N 3.1Å; Y102-L104 VanDerWaalsContact C-N 3.29Å; Y102-L104 PolarHBondContact O-N 3.18Å; Y102-S105 WeakPolarHBondContact O-CB 3.35Å; Y102-S105 PolarHBondContact O-N 2.82Å; Y102-S105 VanDerWaalsContact O-N 3.11Å; Y102-S105 PolarHBondContact O-OG 3.08Å; Y102-I106 HydrophobicContact CE1-CD1 4.02Å; Y102-I106 HydrophobicContact CE2-CG2 4.32Å; Y102-I106 PolarHBondContact O-N 2.87Å; Y102-V181 HydrophobicContact CD1-CG2 3.94Å; Y102-V181 HydrophobicContact CE1-CG2 4.21Å; Y102-K212 HydrophobicContact CE1-CG 4.17Å
103	C	97.5	Very high	97	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.9	-41.3	178.3	-72.2	0	0	0	0	112	C99 A100 S105 I106 H107 Y108 V113	C99-C103 PolarHBondContact O-N 3.35Å; C99-C103 PolarHBondContact O-SG 3.24Å; A100-C103 PolarHBondContact O-N 2.89Å; C103-S105 PolarHBondContact O-N 2.98Å; C103-I106 CarbonylContact O-C 3.58Å; C103-I106 WeakPolarHBondContact O-CG1 3.45Å; C103-I106 PolarHBondContact O-N 3.16Å; C103-H107 PolarHBondContact O-N 3.33Å; C103-Y108 HydrophobicContact CB-CD1 3.67Å; C103-Y108 HydrophobicContact CB-CE1 3.75Å; C103-Y108 PolarHBondContact O-N 2.92Å; C103-V113 HydrophobicContact CB-CG2 4.49Å
104	L	96.8	Very high	97.2	Very high	51 Å²	51	34.8 Å²	34.8	27%	0.267	18%	0.178	S	C	.	.	H	α-helix	trans	-61.3	-42.1	175.1	-180	64.3	0	0	0	111.8	P42 F43 A100 E101 Y102 I106 H107 Y108	P42-L104 HydrophobicContact CB-CD2 3.9Å; P42-L104 HydrophobicContact CG-CD2 3.98Å; F43-L104 HydrophobicContact CD1-CD2 4.16Å; F43-L104 HydrophobicContact CE1-CB 4.32Å; F43-L104 HydrophobicContact CE1-CD2 3.83Å; F43-L104 HydrophobicContact CZ-CD2 4.21Å; A100-L104 WeakPolarHBondContact O-CB 3.14Å; A100-L104 PolarHBondContact O-N 3.37Å; E101-L104 PolarHBondContact O-N 3.12Å; Y102-L104 VanDerWaalsContact C-N 3.29Å; Y102-L104 PolarHBondContact O-N 3.18Å; L104-I106 PolarHBondContact O-N 3.17Å; L104-H107 WeakPolarHBondContact O-CA 3.24Å; L104-H107 PolarHBondContact O-N 3.46Å; L104-Y108 HydrophobicContact CB-CE2 4.37Å; L104-Y108 HydrophobicContact CD1-CE2 3.66Å
105	S	96.2	Very high	97.2	Very high	78 Å²	78	34.8 Å²	34.8	55%	0.545	18%	0.178	S	C	.	.	H	α-helix	trans	-61.6	-27.5	179	78.5	0	0	0	0	113.4	E101 Y102 C103	E101-S105 PolarHBondContact O-N 3.47Å; Y102-S105 WeakPolarHBondContact O-CB 3.35Å; Y102-S105 PolarHBondContact O-N 2.82Å; Y102-S105 VanDerWaalsContact O-N 3.11Å; Y102-S105 PolarHBondContact O-OG 3.08Å; C103-S105 PolarHBondContact O-N 2.98Å
106	I	95.9	Very high	97.2	Very high	43 Å²	43	34.8 Å²	34.8	22%	0.221	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	18.5	174.4	66	170.4	0	0	0	112.4	Y102 C103 L104 Y108 Q109	Y102-I106 HydrophobicContact CE1-CD1 4.02Å; Y102-I106 HydrophobicContact CE2-CG2 4.32Å; Y102-I106 PolarHBondContact O-N 2.87Å; C103-I106 CarbonylContact O-C 3.58Å; C103-I106 WeakPolarHBondContact O-CG1 3.45Å; C103-I106 PolarHBondContact O-N 3.16Å; L104-I106 PolarHBondContact O-N 3.17Å; I106-Y108 PolarHBondContact O-N 3.42Å; I106-Q109 VanDerWaalsContact O-CB 3.29Å; I106-Q109 WeakPolarHBondContact O-CB 2.97Å; I106-Q109 PolarHBondContact O-N 3.09Å; I106-Q109 VanDerWaalsContact O-N 3.11Å
107	H	95.9	Very high	97.1	Very high	164 Å²	164	34.9 Å²	34.9	76%	0.759	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	37.7	176.6	-54.8	73.5	0	0	0	113.5	C103 L104 Q109	C103-H107 PolarHBondContact O-N 3.33Å; L104-H107 WeakPolarHBondContact O-CA 3.24Å; L104-H107 PolarHBondContact O-N 3.46Å; H107-Q109 PolarHBondContact O-N 2.88Å
108	Y	95.2	Very high	96.7	Very high	65 Å²	65	36.3 Å²	36.3	26%	0.255	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	28.1	-178.3	-54.3	-79.2	0	0	0	114.1	C103 L104 I106 H110 G111 I157	C103-Y108 HydrophobicContact CB-CD1 3.67Å; C103-Y108 HydrophobicContact CB-CE1 3.75Å; C103-Y108 PolarHBondContact O-N 2.92Å; L104-Y108 HydrophobicContact CB-CE2 4.37Å; L104-Y108 HydrophobicContact CD1-CE2 3.66Å; I106-Y108 PolarHBondContact O-N 3.42Å; Y108-H110 PolarHBondContact O-N 2.87Å; Y108-G111 PolarHBondContact O-N 2.95Å; Y108-I157 HydrophobicContact CD1-CG2 4.28Å; Y108-I157 HydrophobicContact CE1-CB 3.82Å; Y108-I157 HydrophobicContact CE1-CD1 4.26Å; Y108-I157 HydrophobicContact CE1-CG2 3.7Å; Y108-I157 HydrophobicContact CE2-CG2 4.33Å; Y108-I157 WeakPolarHBondContact OH-CD1 3.31Å
109	Q	94.8	Very high	96.3	Very high	149 Å²	149	38 Å²	38	70%	0.696	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-28.4	-176.5	-178	179.9	-4.7	0	0	113.5	I106 H107	I106-Q109 VanDerWaalsContact O-CB 3.29Å; I106-Q109 WeakPolarHBondContact O-CB 2.97Å; I106-Q109 PolarHBondContact O-N 3.09Å; I106-Q109 VanDerWaalsContact O-N 3.11Å; H107-Q109 PolarHBondContact O-N 2.88Å
110	H	94.7	Very high	95.8	Very high	57 Å²	57	42.5 Å²	42.5	26%	0.264	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	9.9	-178.1	-57.8	-48.5	0	0	0	113.9	Y108 Y179 G180 E210	Y108-H110 PolarHBondContact O-N 2.87Å; H110-Y179 CarbonylContact O-C 3.43Å; H110-Y179 VanDerWaalsContact O-O 3.12Å; H110-G180 WeakPolarHBondContact O-CA 3.12Å; H110-G180 PolarHBondContact O-N 2.87Å; H110-E210 HydrophobicContact CB-CG 4.14Å
111	G	96	Very high	95.2	Very high	18 Å²	18	43.6 Å²	43.6	19%	0.186	22%	0.22	C	C	.	.			trans	101.5	-173.3	-178.1	0	0	0	0	0	114.3	Y108 S178	Y108-G111 PolarHBondContact O-N 2.95Å; G111-S178 VanDerWaalsContact CA-O 3.31Å; G111-S178 WeakPolarHBondContact CA-O 3.44Å
112	G	97.3	Very high	94.8	Very high	12 Å²	12	40.8 Å²	40.8	12%	0.124	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-160.1	-177.4	0	0	0	0	0	113.9	I157 S178 G180 V181	G112-I157 CarbonylContact C-O 3.57Å; G112-I157 WeakPolarHBondContact CA-O 3.31Å; G112-S178 PolarHBondContact N-O 3.13Å; G112-G180 PolarHBondContact O-N 3.28Å; G112-V181 PolarHBondContact O-N 2.89Å
113	V	98.7	Very high	94.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.1	177.5	-174.9	0	0	0	0	109.4	C99 A100 C103 I157 L158 R159 V181 I183	C99-V113 HydrophobicContact CB-CG1 3.87Å; C99-V113 HydrophobicContact CB-CG2 3.86Å; A100-V113 HydrophobicContact CB-CG2 4.3Å; C103-V113 HydrophobicContact CB-CG2 4.49Å; V113-I157 PolarHBondContact N-O 2.88Å; V113-L158 HydrophobicContact CB-CD1 3.83Å; V113-L158 HydrophobicContact CG1-CD1 3.68Å; V113-R159 PolarHBondContact O-N 2.67Å; V113-V181 WeakPolarHBondContact CA-O 3.27Å; V113-V181 HydrophobicContact CG1-CB 4.35Å; V113-V181 HydrophobicContact CG2-CB 4.28Å; V113-I183 HydrophobicContact CG1-CD1 3.78Å; V113-I183 HydrophobicContact CG1-CG1 4.34Å
114	I	98.7	Very high	94.4	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.3	166.5	-172	159.2	0	0	0	110.8	R159 C161 L166 Y179 V181 I182 I183	I114-R159 CarbonylContact C-O 3.19Å; I114-R159 VanDerWaalsContact CA-O 3.3Å; I114-R159 WeakPolarHBondContact CA-O 3.49Å; I114-C161 HydrophobicContact CD1-CB 4.4Å; I114-C161 WeakPolarHBondContact CD1-SG 3.26Å; I114-L166 HydrophobicContact CD1-CD1 3.7Å; I114-L166 HydrophobicContact CG2-CD1 4.45Å; I114-Y179 HydrophobicContact CB-CD1 3.73Å; I114-Y179 HydrophobicContact CB-CD2 4.4Å; I114-Y179 HydrophobicContact CB-CE1 3.6Å; I114-Y179 HydrophobicContact CB-CE2 4.28Å; I114-Y179 HydrophobicContact CB-CG 4.13Å; I114-Y179 HydrophobicContact CD1-CE1 4.11Å; I114-Y179 HydrophobicContact CD1-CE2 3.85Å; I114-Y179 VanDerWaalsContact CD1-OH 3.27Å; I114-Y179 WeakPolarHBondContact CD1-OH 3.49Å; I114-Y179 HydrophobicContact CG1-CE1 4.39Å; I114-Y179 HydrophobicContact CG2-CD1 3.82Å; I114-Y179 HydrophobicContact CG2-CD2 3.85Å; I114-Y179 HydrophobicContact CG2-CE1 4.09Å; I114-Y179 HydrophobicContact CG2-CE2 4.1Å; I114-Y179 HydrophobicContact CG2-CG 3.68Å; I114-V181 PolarHBondContact N-O 3.24Å; I114-I182 HydrophobicContact CG2-CB 4.16Å; I114-I182 HydrophobicContact CG2-CG1 3.71Å; I114-I182 HydrophobicContact CG2-CG2 4.18Å; I114-I182 CarbonylContact O-C 3.58Å; I114-I183 PolarHBondContact O-N 3.49Å
115	C	98.7	Very high	94.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.6	175.3	-173.7	0	0	0	0	109.5	P96 R159 Y160 C161 I183	P96-C115 HydrophobicContact CB-CB 4.38Å; P96-C115 HydrophobicContact CG-CB 4.09Å; C115-R159 PolarHBondContact N-O 3.29Å; C115-Y160 HydrophobicContact CB-CD1 3.75Å; C115-Y160 HydrophobicContact CB-CE1 3.76Å; C115-Y160 HydrophobicContact CB-CG 4.4Å; C115-Y160 CarbonylContact O-C 3.55Å; C115-Y160 VanDerWaalsContact O-CA 3.32Å; C115-Y160 WeakPolarHBondContact O-CA 3.36Å; C115-C161 PolarHBondContact O-N 3.43Å; C115-I183 WeakPolarHBondContact CA-O 3.47Å; C115-I183 HydrophobicContact CB-CB 4.16Å; C115-I183 HydrophobicContact CB-CD1 4.4Å
116	T	98.3	Very high	94	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	150.2	179.4	82.5	0	0	0	0	111.2	C161 D163 L166 I183 L184 D185	T116-C161 CarbonylContact C-O 3.58Å; T116-C161 VanDerWaalsContact CA-O 3.27Å; T116-C161 WeakPolarHBondContact CA-O 3.18Å; T116-D163 WeakPolarHBondContact CB-OD1 3.49Å; T116-D163 PolarHBondContact OG1-OD1 3.08Å; T116-L166 HydrophobicContact CG2-CB 4.05Å; T116-L166 HydrophobicContact CG2-CD2 3.48Å; T116-L166 VanDerWaalsContact CG2-CD2 3.48Å; T116-L166 HydrophobicContact CG2-CG 4.39Å; T116-I183 PolarHBondContact N-O 2.72Å; T116-L184 HydrophobicContact CG2-CD2 3.85Å; T116-L184 WeakPolarHBondContact OG1-CD2 3.49Å; T116-D185 WeakPolarHBondContact O-CB 3.39Å; T116-D185 PolarHBondContact O-N 3.04Å
117	Q	95.1	Very high	94.1	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	151	175.3	-69.6	-75.1	-32	0	0	109.4	V123 L126 C161 T162 D163 D185 D186	Q117-V123 HydrophobicContact CB-CG2 3.59Å; Q117-V123 HydrophobicContact CG-CG2 4.18Å; Q117-L126 HydrophobicContact CG-CD1 3.86Å; Q117-L126 VanDerWaalsContact NE2-CD1 3.31Å; Q117-C161 PolarHBondContact N-O 2.92Å; Q117-T162 WeakPolarHBondContact O-CA 3.49Å; Q117-D163 VanDerWaalsContact C-OD1 3.27Å; Q117-D163 PolarHBondContact N-OD1 3.48Å; Q117-D163 PolarHBondContact O-N 3.06Å; Q117-D185 VanDerWaalsContact NE2-CB 3.27Å; Q117-D185 PolarHBondContact NE2-OD2 3.13Å; Q117-D186 PolarHBondContact OE1-OD2 2.91Å
118	V	90.9	Very high	94.1	Very high	36 Å²	36	31.8 Å²	31.8	22%	0.218	16%	0.159	C	C	.	.	S	Bend	trans	-73	-34.6	178.8	178.6	0	0	0	0	112.4	E189	V118-E189 HydrophobicContact CB-CB 4.24Å; V118-E189 HydrophobicContact CB-CG 4.39Å; V118-E189 HydrophobicContact CG1-CB 4.37Å; V118-E189 HydrophobicContact CG2-CB 3.65Å; V118-E189 HydrophobicContact CG2-CG 4.18Å
119	H	88.9	Confident	94	Very high	36 Å²	36	33 Å²	33	17%	0.167	16%	0.164	C	C	.	.	S	Bend	trans	-108.3	131	-172.5	-60.4	-65.6	0	0	0	113	Q121 A122 V123 S345	H119-Q121 PolarHBondContact O-N 2.82Å; H119-A122 HydrophobicContact CB-CB 4.28Å; H119-A122 WeakPolarHBondContact O-CB 3.5Å; H119-A122 PolarHBondContact O-N 2.78Å; H119-V123 PolarHBondContact O-N 3.24Å; H119-V123 VanDerWaalsContact O-N 3.16Å; H119-S345 PolarHBondContact CD2-OG 2.8Å
120	K	89.6	Confident	94.2	Very high	94 Å²	94	25.9 Å²	25.9	41%	0.409	13%	0.131	S	C	.	.	H	α-helix	trans	-52.2	-40.4	177.3	-58.3	-173.2	-173.7	-163.6	0	113.3	V123 V124 I146 T162	K120-V123 WeakPolarHBondContact O-CB 3.41Å; K120-V123 PolarHBondContact O-N 3.12Å; K120-V124 WeakPolarHBondContact O-CG2 3.43Å; K120-V124 PolarHBondContact O-N 3.44Å; K120-I146 HydrophobicContact CB-CB 4.36Å; K120-I146 HydrophobicContact CB-CD1 4.16Å; K120-I146 HydrophobicContact CB-CG2 4.21Å; K120-I146 HydrophobicContact CD-CB 4.5Å; K120-I146 HydrophobicContact CD-CD1 4.47Å; K120-I146 HydrophobicContact CG-CB 4.27Å; K120-I146 HydrophobicContact CG-CG2 4.5Å; K120-T162 HydrophobicContact CB-CG2 4.43Å; K120-T162 HydrophobicContact CG-CG2 3.95Å
121	Q	85.4	Confident	94.3	Very high	24 Å²	24	23.3 Å²	23.3	11%	0.112	12%	0.119	C	C	.	.	H	α-helix	trans	-68.7	-38.9	-179.3	-63.2	-169.5	9.5	0	0	112.3	H119 V123 V124 Q125 Y311 P312 E314 L346	H119-Q121 PolarHBondContact O-N 2.82Å; Q121-V123 VanDerWaalsContact C-N 3.33Å; Q121-V124 PolarHBondContact O-N 2.89Å; Q121-Q125 WeakPolarHBondContact O-CB 3.3Å; Q121-Q125 VanDerWaalsContact O-CG 3.27Å; Q121-Q125 WeakPolarHBondContact O-CG 3.34Å; Q121-Q125 PolarHBondContact O-N 3.28Å; Q121-Y311 PolarHBondContact NE2-O 3.04Å; Q121-P312 VanDerWaalsContact NE2-C 3.28Å; Q121-P312 PolarHBondContact NE2-O 3.33Å; Q121-E314 PolarHBondContact NE2-O 3.23Å; Q121-L346 HydrophobicContact CB-CD2 3.7Å
122	A	88.3	Confident	94.3	Very high	2 Å²	2	25 Å²	25	2%	0.017	12%	0.124	C	C	.	.	H	α-helix	trans	-62.8	-42.6	176.2	0	0	0	0	0	110.8	H119 V124 Q125 L126	H119-A122 HydrophobicContact CB-CB 4.28Å; H119-A122 WeakPolarHBondContact O-CB 3.5Å; H119-A122 PolarHBondContact O-N 2.78Å; A122-V124 PolarHBondContact O-N 3.06Å; A122-Q125 PolarHBondContact O-N 3.37Å; A122-L126 WeakPolarHBondContact O-CB 3.44Å; A122-L126 WeakPolarHBondContact O-CD1 3.27Å; A122-L126 VanDerWaalsContact O-CG 3.24Å; A122-L126 WeakPolarHBondContact O-CG 3.46Å; A122-L126 PolarHBondContact O-N 3.33Å
123	V	94	Very high	94.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-52.8	-55.2	173.3	170.7	0	0	0	0	111.7	Q117 H119 K120 Q121 A127 Y144 I146 C161 T162	Q117-V123 HydrophobicContact CB-CG2 3.59Å; Q117-V123 HydrophobicContact CG-CG2 4.18Å; H119-V123 PolarHBondContact O-N 3.24Å; H119-V123 VanDerWaalsContact O-N 3.16Å; K120-V123 WeakPolarHBondContact O-CB 3.41Å; K120-V123 PolarHBondContact O-N 3.12Å; Q121-V123 VanDerWaalsContact C-N 3.33Å; V123-A127 WeakPolarHBondContact O-CB 3.36Å; V123-A127 PolarHBondContact O-N 2.82Å; V123-Y144 HydrophobicContact CG1-CD2 4.44Å; V123-Y144 HydrophobicContact CG1-CG 4.29Å; V123-I146 HydrophobicContact CB-CG2 3.77Å; V123-I146 HydrophobicContact CG1-CG2 3.47Å; V123-I146 VanDerWaalsContact CG1-CG2 3.47Å; V123-I146 HydrophobicContact CG2-CG2 4.19Å; V123-C161 VanDerWaalsContact CG2-O 3.31Å; V123-C161 WeakPolarHBondContact CG2-O 3.27Å; V123-T162 HydrophobicContact CG2-CG2 3.76Å
124	V	93.3	Very high	94.3	Very high	30 Å²	30	24.9 Å²	24.9	18%	0.182	12%	0.12	C	C	.	.	H	α-helix	trans	-64.9	-45.4	-176.4	177.3	0	0	0	0	111	K120 Q121 A122 A127 L128 Y144 I146	K120-V124 WeakPolarHBondContact O-CG2 3.43Å; K120-V124 PolarHBondContact O-N 3.44Å; Q121-V124 PolarHBondContact O-N 2.89Å; A122-V124 PolarHBondContact O-N 3.06Å; V124-A127 PolarHBondContact O-N 2.82Å; V124-L128 HydrophobicContact CG1-CD1 3.86Å; V124-L128 HydrophobicContact CG1-CG 4.44Å; V124-L128 WeakPolarHBondContact O-CB 3.46Å; V124-L128 VanDerWaalsContact O-CG 3.3Å; V124-L128 WeakPolarHBondContact O-CG 3.34Å; V124-L128 PolarHBondContact O-N 2.88Å; V124-Y144 HydrophobicContact CG1-CE1 4.15Å; V124-Y144 HydrophobicContact CG2-CD2 3.87Å; V124-Y144 HydrophobicContact CG2-CE1 4.39Å; V124-Y144 HydrophobicContact CG2-CE2 3.66Å; V124-Y144 HydrophobicContact CG2-CG 4.34Å; V124-I146 HydrophobicContact CG2-CD1 3.93Å; V124-I146 HydrophobicContact CG2-CG2 4.5Å
125	Q	90.5	Very high	94.2	Very high	58 Å²	58	26.5 Å²	26.5	27%	0.271	13%	0.129	S	C	.	.	H	α-helix	trans	-64.8	-42.7	-179.4	-73.3	177.1	-3.7	0	0	112.2	Q121 A122 R129	Q121-Q125 WeakPolarHBondContact O-CB 3.3Å; Q121-Q125 VanDerWaalsContact O-CG 3.27Å; Q121-Q125 WeakPolarHBondContact O-CG 3.34Å; Q121-Q125 PolarHBondContact O-N 3.28Å; A122-Q125 PolarHBondContact O-N 3.37Å; Q125-R129 VanDerWaalsContact O-CB 3.22Å; Q125-R129 WeakPolarHBondContact O-CB 3.37Å; Q125-R129 PolarHBondContact O-N 3.1Å
126	L	94.1	Very high	94.1	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.016	13%	0.132	C	C	.	.	H	α-helix	trans	-65.4	-44.8	176.8	-75.9	167.5	0	0	0	111.4	Q117 A122 L128 R129 V130 Y160 W348	Q117-L126 HydrophobicContact CG-CD1 3.86Å; Q117-L126 VanDerWaalsContact NE2-CD1 3.31Å; A122-L126 WeakPolarHBondContact O-CB 3.44Å; A122-L126 WeakPolarHBondContact O-CD1 3.27Å; A122-L126 VanDerWaalsContact O-CG 3.24Å; A122-L126 WeakPolarHBondContact O-CG 3.46Å; A122-L126 PolarHBondContact O-N 3.33Å; L126-L128 PolarHBondContact O-N 3.03Å; L126-R129 PolarHBondContact O-N 2.89Å; L126-V130 VanDerWaalsContact O-CB 3.28Å; L126-V130 WeakPolarHBondContact O-CB 3.32Å; L126-V130 WeakPolarHBondContact O-CG2 3.47Å; L126-V130 PolarHBondContact O-N 3.28Å; L126-Y160 HydrophobicContact CB-CD1 3.93Å; L126-Y160 HydrophobicContact CB-CE1 3.77Å; L126-Y160 HydrophobicContact CB-CG 4.45Å; L126-Y160 HydrophobicContact CD1-CD1 4.38Å; L126-Y160 HydrophobicContact CD1-CE1 4.17Å; L126-Y160 HydrophobicContact CG-CE1 4.49Å; L126-W348 HydrophobicContact CD2-CH2 3.68Å; L126-W348 HydrophobicContact CD2-CZ2 4.35Å; L126-W348 HydrophobicContact CD2-CZ3 4.21Å; L126-W348 HydrophobicContact CG-CH2 4.49Å
127	A	97.2	Very high	93.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.1	-46.8	178.2	0	0	0	0	0	111.8	V123 V124 V130 A131 I138 V142 Y144 Y160	V123-A127 WeakPolarHBondContact O-CB 3.36Å; V123-A127 PolarHBondContact O-N 2.82Å; V124-A127 PolarHBondContact O-N 2.82Å; A127-V130 PolarHBondContact O-N 3.15Å; A127-A131 VanDerWaalsContact O-CB 3.31Å; A127-A131 WeakPolarHBondContact O-CB 3.46Å; A127-A131 PolarHBondContact O-N 2.92Å; A127-I138 HydrophobicContact CB-CD1 3.86Å; A127-V142 WeakPolarHBondContact O-CG1 3.44Å; A127-Y144 HydrophobicContact CB-CD1 3.84Å; A127-Y144 HydrophobicContact CB-CG 4.28Å; A127-Y160 HydrophobicContact CB-CD2 3.93Å; A127-Y160 HydrophobicContact CB-CG 4.3Å
128	L	95.7	Very high	93.9	Very high	80 Å²	80	35.1 Å²	35.1	42%	0.419	17%	0.174	S	C	.	.	H	α-helix	trans	-61.8	-46.6	176.2	-72.2	170.4	0	0	0	111.8	V124 L126 V130 A131 D132 I138	V124-L128 HydrophobicContact CG1-CD1 3.86Å; V124-L128 HydrophobicContact CG1-CG 4.44Å; V124-L128 WeakPolarHBondContact O-CB 3.46Å; V124-L128 VanDerWaalsContact O-CG 3.3Å; V124-L128 WeakPolarHBondContact O-CG 3.34Å; V124-L128 PolarHBondContact O-N 2.88Å; L126-L128 PolarHBondContact O-N 3.03Å; L128-V130 VanDerWaalsContact C-N 3.34Å; L128-V130 PolarHBondContact O-N 3.38Å; L128-A131 PolarHBondContact O-N 2.92Å; L128-D132 PolarHBondContact O-N 3.38Å; L128-I138 HydrophobicContact CD2-CB 4.17Å; L128-I138 HydrophobicContact CD2-CD1 4.38Å; L128-I138 HydrophobicContact CD2-CG1 3.93Å; L128-I138 HydrophobicContact CD2-CG2 4.08Å
129	R	94.3	Very high	94.1	Very high	91 Å²	91	33.7 Å²	33.7	34%	0.343	17%	0.168	S	C	.	.	H	α-helix	trans	-62.7	-42	178.6	175.5	60.4	-177.4	-167	4	111.5	E58 Q125 L126 D132 E133	E58-R129 IonicContact OE2-NH2 2.91Å; E58-R129 PolarHBondContact OE2-NH2 3.27Å; Q125-R129 VanDerWaalsContact O-CB 3.22Å; Q125-R129 WeakPolarHBondContact O-CB 3.37Å; Q125-R129 PolarHBondContact O-N 3.1Å; L126-R129 PolarHBondContact O-N 2.89Å; R129-D132 WeakPolarHBondContact O-CB 3.42Å; R129-D132 PolarHBondContact O-N 2.73Å; R129-E133 HydrophobicContact CG-CG 4.45Å; R129-E133 IonicContact CZ-OE1 3.06Å; R129-E133 VanDerWaalsContact CZ-OE1 3.31Å; R129-E133 IonicContact NE-OE1 3.63Å; R129-E133 PolarHBondContact NE-OE1 3.43Å; R129-E133 IonicContact NH2-OE1 2.75Å; R129-E133 PolarHBondContact NH2-OE1 3.42Å; R129-E133 VanDerWaalsContact NH2-OE1 3.11Å; R129-E133 WeakPolarHBondContact O-CB 3.33Å; R129-E133 VanDerWaalsContact O-CG 3.31Å; R129-E133 WeakPolarHBondContact O-CG 3.42Å; R129-E133 PolarHBondContact O-N 2.9Å
130	V	97.6	Very high	94.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-74.7	-34.2	-178.4	170.1	0	0	0	0	111.8	Q97 L126 A127 L128 D132 E133 M134 V142 L158 Y160	Q97-V130 HydrophobicContact CG-CG1 3.6Å; L126-V130 VanDerWaalsContact O-CB 3.28Å; L126-V130 WeakPolarHBondContact O-CB 3.32Å; L126-V130 WeakPolarHBondContact O-CG2 3.47Å; L126-V130 PolarHBondContact O-N 3.28Å; A127-V130 PolarHBondContact O-N 3.15Å; L128-V130 VanDerWaalsContact C-N 3.34Å; L128-V130 PolarHBondContact O-N 3.38Å; V130-D132 VanDerWaalsContact C-N 3.32Å; V130-D132 PolarHBondContact O-N 3.05Å; V130-E133 PolarHBondContact O-N 3.28Å; V130-M134 HydrophobicContact CG1-CG 4.07Å; V130-M134 HydrophobicContact CG1-SD 3.7Å; V130-M134 VanDerWaalsContact O-CB 3.31Å; V130-M134 WeakPolarHBondContact O-CB 3.34Å; V130-M134 WeakPolarHBondContact O-CG 3.45Å; V130-M134 PolarHBondContact O-N 3.37Å; V130-V142 HydrophobicContact CG1-CG1 4.35Å; V130-V142 HydrophobicContact CG1-CG2 4.32Å; V130-L158 HydrophobicContact CG1-CD2 3.74Å; V130-Y160 HydrophobicContact CB-CE2 4.11Å; V130-Y160 HydrophobicContact CG1-CE2 4.26Å; V130-Y160 HydrophobicContact CG2-CE2 4.27Å; V130-Y160 WeakPolarHBondContact CG2-OH 3.4Å
131	A	97.7	Very high	94.8	Very high	2 Å²	2	32.5 Å²	32.5	2%	0.017	16%	0.163	C	C	.	.	H	α-helix	trans	-58.2	-46.2	169	0	0	0	0	0	111	A127 L128 E133 M134 D135 V136 I138 V142	A127-A131 VanDerWaalsContact O-CB 3.31Å; A127-A131 WeakPolarHBondContact O-CB 3.46Å; A127-A131 PolarHBondContact O-N 2.92Å; L128-A131 PolarHBondContact O-N 2.92Å; A131-E133 PolarHBondContact O-N 3Å; A131-M134 PolarHBondContact O-N 3.46Å; A131-D135 PolarHBondContact O-N 2.83Å; A131-V136 HydrophobicContact CB-CG2 4.34Å; A131-V136 PolarHBondContact O-N 3.23Å; A131-I138 HydrophobicContact CB-CB 4.16Å; A131-I138 HydrophobicContact CB-CD1 4.08Å; A131-V142 HydrophobicContact CB-CB 4.04Å; A131-V142 HydrophobicContact CB-CG1 4.17Å
132	D	96.6	Very high	95.4	Very high	55 Å²	55	31.3 Å²	31.3	29%	0.294	16%	0.158	S	C	.	.	H	α-helix	trans	-62	-40.9	173.8	-79	-30.8	0	0	0	112.7	R51 L55 L128 R129 V130 D135	R51-D132 VanDerWaalsContact CZ-CG 3.49Å; R51-D132 IonicContact CZ-OD1 2.76Å; R51-D132 VanDerWaalsContact CZ-OD1 3.29Å; R51-D132 IonicContact CZ-OD2 3.76Å; R51-D132 IonicContact NH1-OD1 2.72Å; R51-D132 PolarHBondContact NH1-OD1 2.78Å; R51-D132 IonicContact NH1-OD2 3.83Å; R51-D132 IonicContact NH2-OD1 3.28Å; R51-D132 PolarHBondContact NH2-OD1 2.92Å; R51-D132 IonicContact NH2-OD2 3.51Å; R51-D132 PolarHBondContact NH2-OD2 2.95Å; L55-D132 HydrophobicContact CD1-CB 4.15Å; L55-D132 WeakPolarHBondContact CD1-O 3.14Å; L128-D132 PolarHBondContact O-N 3.38Å; R129-D132 WeakPolarHBondContact O-CB 3.42Å; R129-D132 PolarHBondContact O-N 2.73Å; V130-D132 VanDerWaalsContact C-N 3.32Å; V130-D132 PolarHBondContact O-N 3.05Å; D132-D135 PolarHBondContact O-N 3.42Å
133	E	97.2	Very high	95.8	Very high	3 Å²	3	31.2 Å²	31.2	1%	0.014	16%	0.157	C	C	.	.	H	α-helix	trans	-71.9	-30.2	-180	-75.4	-176.3	-175.2	0	0	113.5	Y52 L55 R59 Q94 Q97 R129 V130 A131 D135	Y52-E133 WeakPolarHBondContact CD2-O 3.33Å; L55-E133 HydrophobicContact CD1-CG 4.42Å; R59-E133 WeakPolarHBondContact CD-OE2 3.45Å; R59-E133 HydrophobicContact CG-CG 4.31Å; R59-E133 IonicContact NE-OE2 2.75Å; R59-E133 PolarHBondContact NH1-O 2.75Å; Q94-E133 PolarHBondContact NE2-OE2 3Å; Q97-E133 PolarHBondContact NE2-OE2 3.45Å; R129-E133 HydrophobicContact CG-CG 4.45Å; R129-E133 IonicContact CZ-OE1 3.06Å; R129-E133 VanDerWaalsContact CZ-OE1 3.31Å; R129-E133 IonicContact NE-OE1 3.63Å; R129-E133 PolarHBondContact NE-OE1 3.43Å; R129-E133 IonicContact NH2-OE1 2.75Å; R129-E133 PolarHBondContact NH2-OE1 3.42Å; R129-E133 VanDerWaalsContact NH2-OE1 3.11Å; R129-E133 WeakPolarHBondContact O-CB 3.33Å; R129-E133 VanDerWaalsContact O-CG 3.31Å; R129-E133 WeakPolarHBondContact O-CG 3.42Å; R129-E133 PolarHBondContact O-N 2.9Å; V130-E133 PolarHBondContact O-N 3.28Å; A131-E133 PolarHBondContact O-N 3Å; E133-D135 VanDerWaalsContact C-N 3.33Å
134	M	97.3	Very high	96	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.03	16%	0.161	C	C	.	.	H	α-helix	trans	-87.6	-3.7	174.6	-68.8	-178.9	70	0	0	112.7	N41 F43 Q97 A100 V130 A131 V136 V142 L158	N41-M134 PolarHBondContact ND2-O 3.32Å; F43-M134 HydrophobicContact CD1-CE 4.16Å; F43-M134 HydrophobicContact CD2-CE 3.63Å; F43-M134 HydrophobicContact CE1-CE 3.9Å; F43-M134 HydrophobicContact CE2-CE 3.37Å; F43-M134 HydrophobicContact CG-CE 4.03Å; F43-M134 HydrophobicContact CZ-CE 3.51Å; Q97-M134 HydrophobicContact CG-CG 3.84Å; Q97-M134 HydrophobicContact CG-SD 3.79Å; A100-M134 HydrophobicContact CB-CE 4.42Å; V130-M134 HydrophobicContact CG1-CG 4.07Å; V130-M134 HydrophobicContact CG1-SD 3.7Å; V130-M134 VanDerWaalsContact O-CB 3.31Å; V130-M134 WeakPolarHBondContact O-CB 3.34Å; V130-M134 WeakPolarHBondContact O-CG 3.45Å; V130-M134 PolarHBondContact O-N 3.37Å; A131-M134 PolarHBondContact O-N 3.46Å; M134-V136 VanDerWaalsContact C-N 3.33Å; M134-V136 HydrophobicContact CB-CG2 3.95Å; M134-V136 PolarHBondContact O-N 3.19Å; M134-V142 HydrophobicContact CE-CG2 4.31Å; M134-V142 HydrophobicContact SD-CG2 3.49Å; M134-V142 WeakPolarHBondContact SD-CG2 3.47Å; M134-L158 HydrophobicContact SD-CD2 3.97Å
135	D	97.5	Very high	96.2	Very high	35 Å²	35	32 Å²	32	19%	0.187	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	42.8	-178.8	-151.4	43.6	0	0	0	113.4	N41 Y48 S49 Y52 A131 D132 E133	N41-D135 PolarHBondContact ND2-O 3.07Å; Y48-D135 HydrophobicContact CD1-CB 4.11Å; S49-D135 WeakPolarHBondContact CB-OD1 3.35Å; S49-D135 VanDerWaalsContact CB-OD2 3.25Å; S49-D135 WeakPolarHBondContact CB-OD2 3.45Å; S49-D135 PolarHBondContact N-OD2 2.83Å; S49-D135 VanDerWaalsContact OG-CG 3.24Å; S49-D135 PolarHBondContact OG-OD1 2.79Å; S49-D135 PolarHBondContact OG-OD2 2.79Å; Y52-D135 HydrophobicContact CD2-CB 3.91Å; Y52-D135 HydrophobicContact CG-CB 4.22Å; A131-D135 PolarHBondContact O-N 2.83Å; D132-D135 PolarHBondContact O-N 3.42Å; E133-D135 VanDerWaalsContact C-N 3.33Å
136	V	96.8	Very high	96.3	Very high	12 Å²	12	29.9 Å²	29.9	7%	0.073	15%	0.15	C	C	.	.			trans	-125.3	162.5	179.9	-64	0	0	0	0	111.1	F43 A131 M134 E141 V142	F43-V136 HydrophobicContact CB-CG1 4.23Å; A131-V136 HydrophobicContact CB-CG2 4.34Å; A131-V136 PolarHBondContact O-N 3.23Å; M134-V136 VanDerWaalsContact C-N 3.33Å; M134-V136 HydrophobicContact CB-CG2 3.95Å; M134-V136 PolarHBondContact O-N 3.19Å; V136-E141 HydrophobicContact CB-CB 4.27Å; V136-E141 HydrophobicContact CG1-CB 4.24Å; V136-E141 HydrophobicContact CG1-CG 4.27Å; V136-E141 HydrophobicContact CG2-CB 4.2Å; V136-V142 HydrophobicContact CG2-CB 4.18Å; V136-V142 HydrophobicContact CG2-CG2 3.75Å
137	N	94	Very high	96	Very high	113 Å²	113	30.1 Å²	30.1	60%	0.604	15%	0.152	S	C	*	.			trans	-80.8	130.7	177.7	-68.4	-49.7	0	0	0	110.9	G139 H140	N137-G139 PolarHBondContact O-N 2.91Å; N137-H140 PolarHBondContact O-N 3.37Å; N137-H140 VanDerWaalsContact O-N 3.16Å
138	I	96.1	Very high	95.4	Very high	57 Å²	57	31.2 Å²	31.2	29%	0.292	16%	0.156	S	C	.	.	B	Isolated β-bridge	trans	-57.6	136	172.8	-170	71.4	0	0	0	110.6	A127 L128 A131 H140 V142 Y144	A127-I138 HydrophobicContact CB-CD1 3.86Å; L128-I138 HydrophobicContact CD2-CB 4.17Å; L128-I138 HydrophobicContact CD2-CD1 4.38Å; L128-I138 HydrophobicContact CD2-CG1 3.93Å; L128-I138 HydrophobicContact CD2-CG2 4.08Å; A131-I138 HydrophobicContact CB-CB 4.16Å; A131-I138 HydrophobicContact CB-CD1 4.08Å; I138-H140 VanDerWaalsContact C-N 3.35Å; I138-V142 CarbonylContact C-O 3.59Å; I138-V142 HydrophobicContact CD1-CG1 4.4Å; I138-Y144 HydrophobicContact CD1-CD1 4.29Å; I138-Y144 HydrophobicContact CG1-CE1 4.47Å
139	G	94.1	Very high	95.1	Very high	7 Å²	7	30.2 Å²	30.2	7%	0.072	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	-20.4	-176.6	0	0	0	0	0	114.3	N137 V142 T153 T156	N137-G139 PolarHBondContact O-N 2.91Å; G139-V142 PolarHBondContact N-O 3.4Å; G139-T153 WeakPolarHBondContact O-CB 3.35Å; G139-T153 WeakPolarHBondContact O-CG2 3.27Å; G139-T153 PolarHBondContact O-N 3.27Å; G139-T153 VanDerWaalsContact O-N 3.12Å; G139-T153 PolarHBondContact O-OG1 3.44Å; G139-T156 PolarHBondContact O-OG1 2.91Å
140	H	95.3	Very high	95.1	Very high	76 Å²	76	31.1 Å²	31.1	35%	0.352	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-109	170.3	-67.6	-90.6	0	0	0	108.7	N137 I138 V142 E155 T156	N137-H140 PolarHBondContact O-N 3.37Å; N137-H140 VanDerWaalsContact O-N 3.16Å; I138-H140 VanDerWaalsContact C-N 3.35Å; H140-V142 PolarHBondContact O-N 3.42Å; H140-E155 IonicContact CE1-OE2 3.13Å; H140-E155 IonicContact CG-OE2 2.6Å; H140-E155 IonicContact ND1-OE2 3.91Å; H140-E155 PolarHBondContact ND1-OE2 3.48Å; H140-T156 WeakPolarHBondContact O-CA 3.27Å; H140-T156 WeakPolarHBondContact O-CB 3.06Å; H140-T156 PolarHBondContact O-N 3.06Å; H140-T156 PolarHBondContact O-OG1 3.45Å
141	E	97.1	Very high	95	Very high	28 Å²	28	32.9 Å²	32.9	13%	0.131	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-38.7	-173.5	-63.6	75.2	-163.9	0	0	112.6	F43 V136 I157 L158	F43-E141 HydrophobicContact CB-CG 4.15Å; V136-E141 HydrophobicContact CB-CB 4.27Å; V136-E141 HydrophobicContact CG1-CB 4.24Å; V136-E141 HydrophobicContact CG1-CG 4.27Å; V136-E141 HydrophobicContact CG2-CB 4.2Å; E141-I157 HydrophobicContact CB-CD1 4.27Å; E141-I157 HydrophobicContact CB-CG1 4.02Å; E141-I157 WeakPolarHBondContact O-CG1 3.49Å; E141-I157 PolarHBondContact O-N 3.41Å; E141-L158 PolarHBondContact O-N 3.12Å
142	V	98.4	Very high	94.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.5	174	179.4	0	0	0	0	109	A127 V130 A131 M134 V136 I138 G139 H140 L158	A127-V142 WeakPolarHBondContact O-CG1 3.44Å; V130-V142 HydrophobicContact CG1-CG1 4.35Å; V130-V142 HydrophobicContact CG1-CG2 4.32Å; A131-V142 HydrophobicContact CB-CB 4.04Å; A131-V142 HydrophobicContact CB-CG1 4.17Å; M134-V142 HydrophobicContact CE-CG2 4.31Å; M134-V142 HydrophobicContact SD-CG2 3.49Å; M134-V142 WeakPolarHBondContact SD-CG2 3.47Å; V136-V142 HydrophobicContact CG2-CB 4.18Å; V136-V142 HydrophobicContact CG2-CG2 3.75Å; I138-V142 CarbonylContact C-O 3.59Å; I138-V142 HydrophobicContact CD1-CG1 4.4Å; G139-V142 PolarHBondContact N-O 3.4Å; H140-V142 PolarHBondContact O-N 3.42Å; V142-L158 WeakPolarHBondContact CA-O 3.35Å; V142-L158 HydrophobicContact CG2-CB 4.32Å; V142-L158 HydrophobicContact CG2-CD2 4.29Å
143	G	98.1	Very high	94.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	177.3	-179.6	0	0	0	0	0	113	C151 L158 R159 Y160	G143-C151 CarbonylContact C-O 3.58Å; G143-C151 WeakPolarHBondContact CA-O 3.2Å; G143-L158 PolarHBondContact N-O 3.32Å; G143-R159 WeakPolarHBondContact O-CA 3.49Å; G143-Y160 PolarHBondContact O-N 3.08Å
144	Y	98.1	Very high	94.5	Very high	23 Å²	23	42.6 Å²	42.6	9%	0.09	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.9	173.5	67.3	-92.9	0	0	0	115.2	V123 V124 A127 I138 I146 E149 C151 C152 Y160	V123-Y144 HydrophobicContact CG1-CD2 4.44Å; V123-Y144 HydrophobicContact CG1-CG 4.29Å; V124-Y144 HydrophobicContact CG1-CE1 4.15Å; V124-Y144 HydrophobicContact CG2-CD2 3.87Å; V124-Y144 HydrophobicContact CG2-CE1 4.39Å; V124-Y144 HydrophobicContact CG2-CE2 3.66Å; V124-Y144 HydrophobicContact CG2-CG 4.34Å; A127-Y144 HydrophobicContact CB-CD1 3.84Å; A127-Y144 HydrophobicContact CB-CG 4.28Å; I138-Y144 HydrophobicContact CD1-CD1 4.29Å; I138-Y144 HydrophobicContact CG1-CE1 4.47Å; Y144-I146 HydrophobicContact CD2-CG1 4.45Å; Y144-I146 HydrophobicContact CD2-CG2 4.34Å; Y144-I146 HydrophobicContact CE2-CD1 4.46Å; Y144-I146 HydrophobicContact CE2-CG1 4.42Å; Y144-E149 HydrophobicContact CE2-CG 4.08Å; Y144-E149 WeakPolarHBondContact CE2-OE1 3.36Å; Y144-E149 PolarHBondContact OH-OE1 2.89Å; Y144-C151 HydrophobicContact CD1-CB 3.83Å; Y144-C151 HydrophobicContact CD2-CB 4.24Å; Y144-C151 HydrophobicContact CE1-CB 3.49Å; Y144-C151 VanDerWaalsContact CE1-CB 3.49Å; Y144-C151 HydrophobicContact CE2-CB 3.93Å; Y144-C151 HydrophobicContact CG-CB 4.19Å; Y144-C151 PolarHBondContact N-O 3.31Å; Y144-C151 CarbonylContact O-C 3.53Å; Y144-C151 PolarHBondContact O-N 3.49Å; Y144-C152 PolarHBondContact N-SG 3.03Å; Y144-Y160 CarbonylContact C-O 3.59Å; Y144-Y160 WeakPolarHBondContact CA-O 3.34Å; Y144-Y160 WeakPolarHBondContact CB-O 2.94Å
145	V	96.6	Very high	94.2	Very high	24 Å²	24	47.8 Å²	47.8	15%	0.145	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	118.3	172.5	-174.6	0	0	0	0	109.9	N150 R159 Y160 C161 T162 M165	V145-N150 WeakPolarHBondContact CG2-OD1 3.21Å; V145-R159 HydrophobicContact CG2-CG 4.13Å; V145-Y160 PolarHBondContact N-O 3.33Å; V145-C161 HydrophobicContact CB-CB 4.23Å; V145-C161 WeakPolarHBondContact O-CA 3.46Å; V145-C161 VanDerWaalsContact O-CB 3.26Å; V145-C161 WeakPolarHBondContact O-CB 3.46Å; V145-T162 PolarHBondContact O-N 2.95Å; V145-M165 HydrophobicContact CG1-CB 4.34Å; V145-M165 HydrophobicContact CG1-CG 4.16Å; V145-M165 HydrophobicContact CG1-SD 4.48Å
146	I	93.2	Very high	94.1	Very high	13 Å²	13	47.1 Å²	47.1	7%	0.067	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	166.3	171.5	63.4	176	0	0	0	108.2	K120 V123 V124 Y144 F148 E149 T162	K120-I146 HydrophobicContact CB-CB 4.36Å; K120-I146 HydrophobicContact CB-CD1 4.16Å; K120-I146 HydrophobicContact CB-CG2 4.21Å; K120-I146 HydrophobicContact CD-CB 4.5Å; K120-I146 HydrophobicContact CD-CD1 4.47Å; K120-I146 HydrophobicContact CG-CB 4.27Å; K120-I146 HydrophobicContact CG-CG2 4.5Å; V123-I146 HydrophobicContact CB-CG2 3.77Å; V123-I146 HydrophobicContact CG1-CG2 3.47Å; V123-I146 VanDerWaalsContact CG1-CG2 3.47Å; V123-I146 HydrophobicContact CG2-CG2 4.19Å; V124-I146 HydrophobicContact CG2-CD1 3.93Å; V124-I146 HydrophobicContact CG2-CG2 4.5Å; Y144-I146 HydrophobicContact CD2-CG1 4.45Å; Y144-I146 HydrophobicContact CD2-CG2 4.34Å; Y144-I146 HydrophobicContact CE2-CD1 4.46Å; Y144-I146 HydrophobicContact CE2-CG1 4.42Å; I146-F148 PolarHBondContact O-N 3.37Å; I146-F148 VanDerWaalsContact O-N 3.14Å; I146-E149 HydrophobicContact CD1-CB 4.11Å; I146-E149 HydrophobicContact CG1-CB 3.68Å; I146-E149 HydrophobicContact CG1-CG 4.48Å; I146-E149 PolarHBondContact N-O 3.41Å; I146-E149 CarbonylContact O-C 3.46Å; I146-E149 PolarHBondContact O-N 2.96Å; I146-T162 HydrophobicContact CG2-CG2 4.13Å
147	P	88.1	Confident	94.1	Very high	8 Å²	8	47.8 Å²	47.8	5%	0.052	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	126.1	-179.6	-22.4	30.6	0	0	0	110.8	E149 T162 D164 M165	P147-E149 VanDerWaalsContact C-N 3.28Å; P147-E149 PolarHBondContact O-N 3.49Å; P147-T162 WeakPolarHBondContact CD-OG1 3.37Å; P147-D164 WeakPolarHBondContact CG-OD2 3.39Å; P147-M165 HydrophobicContact CB-CE 4.1Å; P147-M165 HydrophobicContact CB-SD 4.27Å; P147-M165 HydrophobicContact CG-CE 3.67Å; P147-M165 HydrophobicContact CG-CG 4.35Å; P147-M165 HydrophobicContact CG-SD 4.05Å
148	F	84.8	Confident	94.3	Very high	23 Å²	23	42.4 Å²	42.4	10%	0.101	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	13.8	-178.7	-41.3	-72.9	0	0	0	115.6	I146 P485 T514 M583 V586 I587 E590	I146-F148 PolarHBondContact O-N 3.37Å; I146-F148 VanDerWaalsContact O-N 3.14Å; F148-P485 HydrophobicContact CE1-CB 4.26Å; F148-P485 HydrophobicContact CE1-CG 3.7Å; F148-P485 HydrophobicContact CZ-CB 4.27Å; F148-P485 HydrophobicContact CZ-CG 4.05Å; F148-T514 HydrophobicContact CE2-CG2 4.01Å; F148-T514 HydrophobicContact CZ-CG2 3.99Å; F148-M583 HydrophobicContact CB-SD 4.06Å; F148-V586 HydrophobicContact CB-CG1 4.13Å; F148-V586 WeakPolarHBondContact O-CG1 3.44Å; F148-I587 HydrophobicContact CB-CG1 4.16Å; F148-I587 HydrophobicContact CD1-CB 4.12Å; F148-I587 HydrophobicContact CD1-CG1 3.59Å; F148-I587 HydrophobicContact CD1-CG2 4.27Å; F148-I587 HydrophobicContact CD2-CD1 4.13Å; F148-I587 HydrophobicContact CD2-CG1 3.61Å; F148-I587 HydrophobicContact CE1-CB 4.19Å; F148-I587 HydrophobicContact CE1-CG1 3.82Å; F148-I587 HydrophobicContact CE1-CG2 3.84Å; F148-I587 HydrophobicContact CE2-CD1 4.13Å; F148-I587 HydrophobicContact CE2-CG1 3.82Å; F148-I587 HydrophobicContact CG-CB 4.48Å; F148-I587 HydrophobicContact CG-CD1 4.48Å; F148-I587 HydrophobicContact CG-CG1 3.5Å; F148-I587 VanDerWaalsContact CG-CG1 3.5Å; F148-I587 HydrophobicContact CZ-CD1 4.49Å; F148-I587 HydrophobicContact CZ-CG1 3.94Å; F148-I587 HydrophobicContact CZ-CG2 4.12Å; F148-E590 WeakPolarHBondContact CA-OE2 3.28Å; F148-E590 HydrophobicContact CD1-CB 4.49Å; F148-E590 WeakPolarHBondContact CD1-OE2 3.21Å
149	E	88.5	Confident	94.4	Very high	58 Å²	58	42.1 Å²	42.1	27%	0.271	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	118.9	176	-170.7	-179.7	148.6	0	0	111	Y144 I146 P147	Y144-E149 HydrophobicContact CE2-CG 4.08Å; Y144-E149 WeakPolarHBondContact CE2-OE1 3.36Å; Y144-E149 PolarHBondContact OH-OE1 2.89Å; I146-E149 HydrophobicContact CD1-CB 4.11Å; I146-E149 HydrophobicContact CG1-CB 3.68Å; I146-E149 HydrophobicContact CG1-CG 4.48Å; I146-E149 PolarHBondContact N-O 3.41Å; I146-E149 CarbonylContact O-C 3.46Å; I146-E149 PolarHBondContact O-N 2.96Å; P147-E149 VanDerWaalsContact C-N 3.28Å; P147-E149 PolarHBondContact O-N 3.49Å
150	N	93.5	Very high	94.6	Very high	111 Å²	111	41.8 Å²	41.8	59%	0.594	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	110.8	-179.3	-177.2	-2.7	0	0	0	110.2	V145 C152	V145-N150 WeakPolarHBondContact CG2-OD1 3.21Å; N150-C152 WeakPolarHBondContact OD1-CB 3.37Å; N150-C152 PolarHBondContact OD1-N 2.85Å; N150-C152 VanDerWaalsContact OD1-N 3.07Å
151	C	95.8	Very high	94.8	Very high	36 Å²	36	38.2 Å²	38.2	24%	0.243	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	59.5	174.6	-171	0	0	0	0	109.1	G143 Y144	G143-C151 CarbonylContact C-O 3.58Å; G143-C151 WeakPolarHBondContact CA-O 3.2Å; Y144-C151 HydrophobicContact CD1-CB 3.83Å; Y144-C151 HydrophobicContact CD2-CB 4.24Å; Y144-C151 HydrophobicContact CE1-CB 3.49Å; Y144-C151 VanDerWaalsContact CE1-CB 3.49Å; Y144-C151 HydrophobicContact CE2-CB 3.93Å; Y144-C151 HydrophobicContact CG-CB 4.19Å; Y144-C151 PolarHBondContact N-O 3.31Å; Y144-C151 CarbonylContact O-C 3.53Å; Y144-C151 PolarHBondContact O-N 3.49Å
152	C	96.1	Very high	94.8	Very high	24 Å²	24	37 Å²	37	16%	0.162	19%	0.194	C	C	.	.			trans	-134.5	153.1	173.8	-66.4	0	0	0	0	109.7	Y144 N150 T156	Y144-C152 PolarHBondContact N-SG 3.03Å; N150-C152 WeakPolarHBondContact OD1-CB 3.37Å; N150-C152 PolarHBondContact OD1-N 2.85Å; N150-C152 VanDerWaalsContact OD1-N 3.07Å; C152-T156 WeakPolarHBondContact CA-OG1 3.45Å; C152-T156 HydrophobicContact CB-CG2 4.31Å
153	T	94.8	Very high	94.7	Very high	61 Å²	61	37.1 Å²	37.1	37%	0.374	19%	0.194	S	C	.	.			trans	-120.6	-177.9	170.5	59.7	0	0	0	0	109.4	G139 E155 T156	G139-T153 WeakPolarHBondContact O-CB 3.35Å; G139-T153 WeakPolarHBondContact O-CG2 3.27Å; G139-T153 PolarHBondContact O-N 3.27Å; G139-T153 VanDerWaalsContact O-N 3.12Å; G139-T153 PolarHBondContact O-OG1 3.44Å; T153-E155 PolarHBondContact O-N 3.28Å; T153-E155 PolarHBondContact OG1-N 3.01Å; T153-T156 PolarHBondContact N-OG1 3.41Å; T153-T156 WeakPolarHBondContact O-CB 3.11Å; T153-T156 PolarHBondContact O-N 3.32Å; T153-T156 PolarHBondContact O-OG1 3.46Å
154	N	90.9	Very high	94.5	Very high	179 Å²	179	40 Å²	40	96%	0.957	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.6	173.4	-64.3	-20.2	0	0	0	112.6
155	E	90.3	Very high	94.4	Very high	116 Å²	116	39.7 Å²	39.7	54%	0.542	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-9.6	177.8	-62.6	173.8	169.3	0	0	112.2	H140 T153 I157	H140-E155 IonicContact CE1-OE2 3.13Å; H140-E155 IonicContact CG-OE2 2.6Å; H140-E155 IonicContact ND1-OE2 3.91Å; H140-E155 PolarHBondContact ND1-OE2 3.48Å; T153-E155 PolarHBondContact O-N 3.28Å; T153-E155 PolarHBondContact OG1-N 3.01Å; E155-I157 PolarHBondContact O-N 3.19Å; E155-I157 VanDerWaalsContact O-N 3.15Å
156	T	96.4	Very high	94.4	Very high	21 Å²	21	38.6 Å²	38.6	13%	0.129	20%	0.203	C	C	.	.			trans	-68.5	113.7	-176.3	-52.1	0	0	0	0	112.5	G139 H140 C152 T153 R159	G139-T156 PolarHBondContact O-OG1 2.91Å; H140-T156 WeakPolarHBondContact O-CA 3.27Å; H140-T156 WeakPolarHBondContact O-CB 3.06Å; H140-T156 PolarHBondContact O-N 3.06Å; H140-T156 PolarHBondContact O-OG1 3.45Å; C152-T156 WeakPolarHBondContact CA-OG1 3.45Å; C152-T156 HydrophobicContact CB-CG2 4.31Å; T153-T156 PolarHBondContact N-OG1 3.41Å; T153-T156 WeakPolarHBondContact O-CB 3.11Å; T153-T156 PolarHBondContact O-N 3.32Å; T153-T156 PolarHBondContact O-OG1 3.46Å; T156-R159 HydrophobicContact CG2-CB 4.43Å
157	I	95.9	Very high	94.5	Very high	26 Å²	26	38.9 Å²	38.9	13%	0.133	20%	0.204	C	C	.	.	S	Bend	trans	-96.9	-29	179.4	57.1	163.2	0	0	0	112.6	F43 Y108 G112 V113 E141 E155	F43-I157 HydrophobicContact CD1-CD1 3.29Å; F43-I157 HydrophobicContact CE1-CD1 3.61Å; F43-I157 HydrophobicContact CG-CD1 4.27Å; Y108-I157 HydrophobicContact CD1-CG2 4.28Å; Y108-I157 HydrophobicContact CE1-CB 3.82Å; Y108-I157 HydrophobicContact CE1-CD1 4.26Å; Y108-I157 HydrophobicContact CE1-CG2 3.7Å; Y108-I157 HydrophobicContact CE2-CG2 4.33Å; Y108-I157 WeakPolarHBondContact OH-CD1 3.31Å; G112-I157 CarbonylContact C-O 3.57Å; G112-I157 WeakPolarHBondContact CA-O 3.31Å; V113-I157 PolarHBondContact N-O 2.88Å; E141-I157 HydrophobicContact CB-CD1 4.27Å; E141-I157 HydrophobicContact CB-CG1 4.02Å; E141-I157 WeakPolarHBondContact O-CG1 3.49Å; E141-I157 PolarHBondContact O-N 3.41Å; E155-I157 PolarHBondContact O-N 3.19Å; E155-I157 VanDerWaalsContact O-N 3.15Å
158	L	98.4	Very high	94.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	107.7	178.3	171.2	56.1	0	0	0	108.9	P96 V113 V130 M134 E141 V142 G143 Y160	P96-L158 HydrophobicContact CB-CD1 3.7Å; P96-L158 HydrophobicContact CB-CD2 4.09Å; V113-L158 HydrophobicContact CB-CD1 3.83Å; V113-L158 HydrophobicContact CG1-CD1 3.68Å; V130-L158 HydrophobicContact CG1-CD2 3.74Å; M134-L158 HydrophobicContact SD-CD2 3.97Å; E141-L158 PolarHBondContact O-N 3.12Å; V142-L158 WeakPolarHBondContact CA-O 3.35Å; V142-L158 HydrophobicContact CG2-CB 4.32Å; V142-L158 HydrophobicContact CG2-CD2 4.29Å; G143-L158 PolarHBondContact N-O 3.32Å; L158-Y160 HydrophobicContact CD1-CE2 4.28Å; L158-Y160 HydrophobicContact CD2-CE2 4.11Å; L158-Y160 HydrophobicContact CG-CE2 4.09Å
159	R	98.5	Very high	95.1	Very high	51 Å²	51	42.1 Å²	42.1	19%	0.192	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	124.7	-179.7	-176.3	179.3	-63.7	168	4.2	110.4	V113 I114 C115 G143 V145 T156 E169 Y179	V113-R159 PolarHBondContact O-N 2.67Å; I114-R159 CarbonylContact C-O 3.19Å; I114-R159 VanDerWaalsContact CA-O 3.3Å; I114-R159 WeakPolarHBondContact CA-O 3.49Å; C115-R159 PolarHBondContact N-O 3.29Å; G143-R159 WeakPolarHBondContact O-CA 3.49Å; V145-R159 HydrophobicContact CG2-CG 4.13Å; T156-R159 HydrophobicContact CG2-CB 4.43Å; R159-E169 IonicContact NH1-OE2 3.15Å; R159-E169 PolarHBondContact NH1-OE2 3.12Å; R159-Y179 WeakPolarHBondContact CD-OH 3.49Å; R159-Y179 PolarHBondContact NH1-OH 3.02Å
160	Y	98.7	Very high	95.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	138.6	161.8	-73.1	-93.6	0	0	0	109.8	S92 P96 C115 L126 A127 V130 G143 Y144 V145 L158	S92-Y160 PolarHBondContact O-OH 3.32Å; P96-Y160 WeakPolarHBondContact CB-OH 3.4Å; P96-Y160 HydrophobicContact CG-CE1 4.26Å; P96-Y160 WeakPolarHBondContact CG-OH 3.35Å; C115-Y160 HydrophobicContact CB-CD1 3.75Å; C115-Y160 HydrophobicContact CB-CE1 3.76Å; C115-Y160 HydrophobicContact CB-CG 4.4Å; C115-Y160 CarbonylContact O-C 3.55Å; C115-Y160 VanDerWaalsContact O-CA 3.32Å; C115-Y160 WeakPolarHBondContact O-CA 3.36Å; L126-Y160 HydrophobicContact CB-CD1 3.93Å; L126-Y160 HydrophobicContact CB-CE1 3.77Å; L126-Y160 HydrophobicContact CB-CG 4.45Å; L126-Y160 HydrophobicContact CD1-CD1 4.38Å; L126-Y160 HydrophobicContact CD1-CE1 4.17Å; L126-Y160 HydrophobicContact CG-CE1 4.49Å; A127-Y160 HydrophobicContact CB-CD2 3.93Å; A127-Y160 HydrophobicContact CB-CG 4.3Å; V130-Y160 HydrophobicContact CB-CE2 4.11Å; V130-Y160 HydrophobicContact CG1-CE2 4.26Å; V130-Y160 HydrophobicContact CG2-CE2 4.27Å; V130-Y160 WeakPolarHBondContact CG2-OH 3.4Å; G143-Y160 PolarHBondContact O-N 3.08Å; Y144-Y160 CarbonylContact C-O 3.59Å; Y144-Y160 WeakPolarHBondContact CA-O 3.34Å; Y144-Y160 WeakPolarHBondContact CB-O 2.94Å; V145-Y160 PolarHBondContact N-O 3.33Å; L158-Y160 HydrophobicContact CD1-CE2 4.28Å; L158-Y160 HydrophobicContact CD2-CE2 4.11Å; L158-Y160 HydrophobicContact CG-CE2 4.09Å
161	C	98.1	Very high	95.2	Very high	1 Å²	1	36 Å²	36	1%	0.007	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	166.7	175.7	70.1	0	0	0	0	112	I114 C115 T116 Q117 V123 V145 M165	I114-C161 HydrophobicContact CD1-CB 4.4Å; I114-C161 WeakPolarHBondContact CD1-SG 3.26Å; C115-C161 PolarHBondContact O-N 3.43Å; T116-C161 CarbonylContact C-O 3.58Å; T116-C161 VanDerWaalsContact CA-O 3.27Å; T116-C161 WeakPolarHBondContact CA-O 3.18Å; Q117-C161 PolarHBondContact N-O 2.92Å; V123-C161 VanDerWaalsContact CG2-O 3.31Å; V123-C161 WeakPolarHBondContact CG2-O 3.27Å; V145-C161 HydrophobicContact CB-CB 4.23Å; V145-C161 WeakPolarHBondContact O-CA 3.46Å; V145-C161 VanDerWaalsContact O-CB 3.26Å; V145-C161 WeakPolarHBondContact O-CB 3.46Å; C161-M165 HydrophobicContact CB-CB 4.21Å
162	T	97	Very high	95	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	151.5	166	53.5	0	0	0	0	111.2	Q117 K120 V123 V145 I146 P147 D164 M165 L166	Q117-T162 WeakPolarHBondContact O-CA 3.49Å; K120-T162 HydrophobicContact CB-CG2 4.43Å; K120-T162 HydrophobicContact CG-CG2 3.95Å; V123-T162 HydrophobicContact CG2-CG2 3.76Å; V145-T162 PolarHBondContact O-N 2.95Å; I146-T162 HydrophobicContact CG2-CG2 4.13Å; P147-T162 WeakPolarHBondContact CD-OG1 3.37Å; T162-D164 WeakPolarHBondContact CB-OD1 3.43Å; T162-D164 PolarHBondContact O-N 2.93Å; T162-D164 PolarHBondContact OG1-OD1 3.12Å; T162-M165 WeakPolarHBondContact O-CB 3.41Å; T162-M165 PolarHBondContact O-N 2.46Å; T162-M165 WeakPolarHBondContact OG1-CG 3.4Å; T162-L166 PolarHBondContact O-N 3.28Å
163	D	96.2	Very high	94.9	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.011	21%	0.21	C	C	.	.	H	α-helix	trans	-52.8	-39.8	-179.3	-60.9	-3.2	0	0	0	112.7	T116 Q117 M165 L166 Q167 S191 A193 T194 L197	T116-D163 WeakPolarHBondContact CB-OD1 3.49Å; T116-D163 PolarHBondContact OG1-OD1 3.08Å; Q117-D163 VanDerWaalsContact C-OD1 3.27Å; Q117-D163 PolarHBondContact N-OD1 3.48Å; Q117-D163 PolarHBondContact O-N 3.06Å; D163-M165 VanDerWaalsContact C-N 3.32Å; D163-M165 PolarHBondContact O-N 3.18Å; D163-L166 PolarHBondContact O-N 3.26Å; D163-Q167 PolarHBondContact O-N 3.36Å; D163-Q167 VanDerWaalsContact O-N 3.11Å; D163-S191 PolarHBondContact OD2-OG 3.47Å; D163-A193 HydrophobicContact CB-CB 3.53Å; D163-T194 WeakPolarHBondContact OD2-CB 3.35Å; D163-T194 PolarHBondContact OD2-OG1 3.06Å; D163-L197 HydrophobicContact CB-CD1 4.05Å
164	D	94.3	Very high	94.8	Very high	61 Å²	61	38.4 Å²	38.4	33%	0.326	20%	0.2	S	C	.	.	H	α-helix	trans	-69.4	-26.2	177.9	67.7	-45.7	0	0	0	113.3	P147 T162 R168 A193	P147-D164 WeakPolarHBondContact CG-OD2 3.39Å; T162-D164 WeakPolarHBondContact CB-OD1 3.43Å; T162-D164 PolarHBondContact O-N 2.93Å; T162-D164 PolarHBondContact OG1-OD1 3.12Å; D164-R168 WeakPolarHBondContact O-CB 3.5Å; D164-R168 PolarHBondContact O-N 3.27Å; D164-A193 HydrophobicContact CB-CB 4.36Å
165	M	95.6	Very high	95	Very high	17 Å²	17	33.8 Å²	33.8	8%	0.084	17%	0.172	C	C	.	.	H	α-helix	trans	-72.1	-39.6	172.9	-68.4	-56.1	85.7	0	0	111.5	V145 P147 C161 T162 D163 Q167 R168 E169	V145-M165 HydrophobicContact CG1-CB 4.34Å; V145-M165 HydrophobicContact CG1-CG 4.16Å; V145-M165 HydrophobicContact CG1-SD 4.48Å; P147-M165 HydrophobicContact CB-CE 4.1Å; P147-M165 HydrophobicContact CB-SD 4.27Å; P147-M165 HydrophobicContact CG-CE 3.67Å; P147-M165 HydrophobicContact CG-CG 4.35Å; P147-M165 HydrophobicContact CG-SD 4.05Å; C161-M165 HydrophobicContact CB-CB 4.21Å; T162-M165 WeakPolarHBondContact O-CB 3.41Å; T162-M165 PolarHBondContact O-N 2.46Å; T162-M165 WeakPolarHBondContact OG1-CG 3.4Å; D163-M165 VanDerWaalsContact C-N 3.32Å; D163-M165 PolarHBondContact O-N 3.18Å; M165-Q167 VanDerWaalsContact C-N 3.33Å; M165-R168 PolarHBondContact O-N 3.49Å; M165-E169 PolarHBondContact O-N 2.91Å
166	L	97.2	Very high	95.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.3	-42.3	173.3	-179.1	62	0	0	0	110.9	I114 T116 T162 D163 R168 E169 M170 L176 Y179 I182 L197	I114-L166 HydrophobicContact CD1-CD1 3.7Å; I114-L166 HydrophobicContact CG2-CD1 4.45Å; T116-L166 HydrophobicContact CG2-CB 4.05Å; T116-L166 HydrophobicContact CG2-CD2 3.48Å; T116-L166 VanDerWaalsContact CG2-CD2 3.48Å; T116-L166 HydrophobicContact CG2-CG 4.39Å; T162-L166 PolarHBondContact O-N 3.28Å; D163-L166 PolarHBondContact O-N 3.26Å; L166-R168 VanDerWaalsContact C-N 3.32Å; L166-R168 PolarHBondContact O-N 3.37Å; L166-E169 WeakPolarHBondContact O-CB 3.41Å; L166-E169 PolarHBondContact O-N 2.81Å; L166-M170 WeakPolarHBondContact O-CG 3.47Å; L166-M170 PolarHBondContact O-N 2.95Å; L166-L176 HydrophobicContact CD1-CD1 3.86Å; L166-L176 HydrophobicContact CD1-CD2 3.57Å; L166-L176 HydrophobicContact CD1-CG 4.36Å; L166-L176 HydrophobicContact CD2-CD1 4.46Å; L166-L176 HydrophobicContact CG-CD1 4.33Å; L166-Y179 HydrophobicContact CD1-CE2 4.34Å; L166-I182 HydrophobicContact CD2-CG2 4.12Å; L166-L197 HydrophobicContact CB-CD1 4.38Å; L166-L197 HydrophobicContact CD2-CD1 4.08Å; L166-L197 HydrophobicContact CD2-CD2 3.91Å; L166-L197 HydrophobicContact CG-CD2 4.03Å
167	Q	95	Very high	95.3	Very high	19 Å²	19	29.3 Å²	29.3	9%	0.089	16%	0.161	C	C	.	.	H	α-helix	trans	-59.2	-43.4	173.6	-71.6	-165.8	-7.1	0	0	112.6	D163 M165 E169 M170 M171 A193 V196 L197 F432	D163-Q167 PolarHBondContact O-N 3.36Å; D163-Q167 VanDerWaalsContact O-N 3.11Å; M165-Q167 VanDerWaalsContact C-N 3.33Å; Q167-E169 VanDerWaalsContact C-N 3.3Å; Q167-E169 PolarHBondContact O-N 3.02Å; Q167-M170 WeakPolarHBondContact O-CB 3.39Å; Q167-M170 PolarHBondContact O-N 3.25Å; Q167-M170 VanDerWaalsContact O-N 3.13Å; Q167-M171 PolarHBondContact O-N 3.42Å; Q167-A193 PolarHBondContact NE2-O 3.05Å; Q167-V196 VanDerWaalsContact NE2-CB 3.27Å; Q167-V196 VanDerWaalsContact NE2-CG1 3.33Å; Q167-L197 HydrophobicContact CG-CD1 4.27Å; Q167-L197 HydrophobicContact CG-CD2 3.8Å; Q167-L197 HydrophobicContact CG-CG 3.79Å; Q167-F432 HydrophobicContact CB-CE1 4.18Å; Q167-F432 HydrophobicContact CB-CE2 4.05Å; Q167-F432 HydrophobicContact CB-CZ 3.73Å; Q167-F432 HydrophobicContact CG-CE1 4.13Å; Q167-F432 HydrophobicContact CG-CZ 4.05Å; Q167-F432 WeakPolarHBondContact O-CE2 3.21Å
168	R	92.4	Very high	95.3	Very high	61 Å²	61	30.9 Å²	30.9	23%	0.23	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-42.1	176.1	-174.5	173.7	-62.9	150.3	11	111.7	D164 M165 L166 M170 M171 P485	D164-R168 WeakPolarHBondContact O-CB 3.5Å; D164-R168 PolarHBondContact O-N 3.27Å; M165-R168 PolarHBondContact O-N 3.49Å; L166-R168 VanDerWaalsContact C-N 3.32Å; L166-R168 PolarHBondContact O-N 3.37Å; R168-M170 VanDerWaalsContact C-N 3.25Å; R168-M170 PolarHBondContact O-N 3.16Å; R168-M171 HydrophobicContact CB-CE 4.3Å; R168-M171 HydrophobicContact CG-CE 4.29Å; R168-M171 WeakPolarHBondContact O-CB 3.21Å; R168-M171 WeakPolarHBondContact O-CG 3.32Å; R168-M171 PolarHBondContact O-N 3.16Å; R168-P485 VanDerWaalsContact NH1-CB 3.26Å
169	E	94.5	Very high	95.3	Very high	38 Å²	38	31.2 Å²	31.2	18%	0.178	18%	0.176	C	C	.	.	H	α-helix	trans	-59	-39.2	175.4	-170.6	169.1	158.1	0	0	111.4	R159 M165 L166 Q167 M171 S172 N173 L176 Y179	R159-E169 IonicContact NH1-OE2 3.15Å; R159-E169 PolarHBondContact NH1-OE2 3.12Å; M165-E169 PolarHBondContact O-N 2.91Å; L166-E169 WeakPolarHBondContact O-CB 3.41Å; L166-E169 PolarHBondContact O-N 2.81Å; Q167-E169 VanDerWaalsContact C-N 3.3Å; Q167-E169 PolarHBondContact O-N 3.02Å; E169-M171 PolarHBondContact O-N 3.24Å; E169-M171 VanDerWaalsContact O-N 3.13Å; E169-S172 PolarHBondContact O-N 2.71Å; E169-S172 PolarHBondContact O-OG 3.46Å; E169-N173 PolarHBondContact O-N 3Å; E169-L176 HydrophobicContact CG-CD2 4.39Å; E169-Y179 WeakPolarHBondContact OE1-CE2 3.25Å; E169-Y179 PolarHBondContact OE2-OH 3.25Å; E169-Y179 VanDerWaalsContact OE2-OH 3.05Å
170	M	94.4	Very high	95.3	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.6	-24.5	175.4	-64.2	-178.4	74.4	0	0	113.9	L166 Q167 R168 S172 N173 P174 L176 L197 L200 V204 F432 I436 L441	L166-M170 WeakPolarHBondContact O-CG 3.47Å; L166-M170 PolarHBondContact O-N 2.95Å; Q167-M170 WeakPolarHBondContact O-CB 3.39Å; Q167-M170 PolarHBondContact O-N 3.25Å; Q167-M170 VanDerWaalsContact O-N 3.13Å; R168-M170 VanDerWaalsContact C-N 3.25Å; R168-M170 PolarHBondContact O-N 3.16Å; M170-S172 PolarHBondContact O-N 2.68Å; M170-N173 CarbonylContact O-C 3.52Å; M170-P174 WeakPolarHBondContact CE-O 3.49Å; M170-P174 WeakPolarHBondContact O-CA 3.14Å; M170-P174 WeakPolarHBondContact O-CD 3.35Å; M170-P174 WeakPolarHBondContact O-CG 3.41Å; M170-P174 VanDerWaalsContact O-N 3.13Å; M170-L176 HydrophobicContact CG-CD1 3.95Å; M170-L176 HydrophobicContact CG-CD2 3.62Å; M170-L176 HydrophobicContact CG-CG 3.84Å; M170-L176 HydrophobicContact SD-CD1 4.24Å; M170-L197 HydrophobicContact SD-CD2 3.7Å; M170-L200 HydrophobicContact CE-CB 4.02Å; M170-L200 HydrophobicContact CE-CD1 4.09Å; M170-L200 HydrophobicContact SD-CD1 4.35Å; M170-V204 HydrophobicContact CE-CG2 4.12Å; M170-F432 HydrophobicContact CB-CZ 4.45Å; M170-I436 HydrophobicContact CB-CD1 3.81Å; M170-I436 WeakPolarHBondContact O-CD1 3.44Å; M170-L441 HydrophobicContact CE-CD1 4.1Å
171	M	89.6	Confident	95.3	Very high	40 Å²	40	29 Å²	29	20%	0.197	17%	0.169	C	C	.	.	H	α-helix	trans	-65.4	-32.1	176.8	-56.1	-165.9	-143.6	0	0	112.2	Q167 R168 E169 F432 R435	Q167-M171 PolarHBondContact O-N 3.42Å; R168-M171 HydrophobicContact CB-CE 4.3Å; R168-M171 HydrophobicContact CG-CE 4.29Å; R168-M171 WeakPolarHBondContact O-CB 3.21Å; R168-M171 WeakPolarHBondContact O-CG 3.32Å; R168-M171 PolarHBondContact O-N 3.16Å; E169-M171 PolarHBondContact O-N 3.24Å; E169-M171 VanDerWaalsContact O-N 3.13Å; M171-F432 HydrophobicContact CE-CD2 3.66Å; M171-F432 HydrophobicContact CE-CE2 4.24Å; M171-F432 HydrophobicContact CG-CD2 3.81Å; M171-F432 HydrophobicContact CG-CE2 3.76Å; M171-F432 HydrophobicContact SD-CD2 4.1Å; M171-R435 HydrophobicContact CB-CG 4.4Å; M171-R435 HydrophobicContact CG-CG 4.37Å; M171-R435 HydrophobicContact SD-CG 4.36Å
172	S	89.9	Confident	95.3	Very high	105 Å²	105	29 Å²	29	73%	0.734	17%	0.169	S	C	*	.	H	α-helix	trans	-99.1	-28.9	177.4	67.7	0	0	0	0	113.1	E169 M170	E169-S172 PolarHBondContact O-N 2.71Å; E169-S172 PolarHBondContact O-OG 3.46Å; M170-S172 PolarHBondContact O-N 2.68Å
173	N	94	Very high	95.4	Very high	42 Å²	42	28.9 Å²	28.9	23%	0.225	17%	0.168	C	C	.	.			trans	-133	74.1	-178.6	-172.9	5.6	0	0	0	110.7	E169 M170 F175 L176 G177 S178	E169-N173 PolarHBondContact O-N 3Å; M170-N173 CarbonylContact O-C 3.52Å; N173-F175 PolarHBondContact O-N 3.01Å; N173-F175 VanDerWaalsContact O-N 3.14Å; N173-L176 PolarHBondContact O-N 3.41Å; N173-L176 PolarHBondContact OD1-N 2.78Å; N173-G177 PolarHBondContact ND2-N 2.99Å; N173-G177 VanDerWaalsContact ND2-N 3.12Å; N173-G177 PolarHBondContact OD1-N 3.4Å; N173-S178 PolarHBondContact ND2-OG 3.21Å
174	P	93.9	Very high	95.5	Very high	25 Å²	25	28.8 Å²	28.8	16%	0.162	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.9	-170.4	-25.6	33.8	0	0	0	114.7	M170 A439 L441	M170-P174 WeakPolarHBondContact CE-O 3.49Å; M170-P174 WeakPolarHBondContact O-CA 3.14Å; M170-P174 WeakPolarHBondContact O-CD 3.35Å; M170-P174 WeakPolarHBondContact O-CG 3.41Å; M170-P174 VanDerWaalsContact O-N 3.13Å; P174-A439 HydrophobicContact CB-CB 3.68Å; P174-A439 HydrophobicContact CG-CB 3.41Å; P174-A439 VanDerWaalsContact CG-CB 3.41Å; P174-L441 HydrophobicContact CB-CD1 3.89Å; P174-L441 WeakPolarHBondContact O-CD1 3.39Å
175	F	95.4	Very high	95.6	Very high	82 Å²	82	25.9 Å²	25.9	36%	0.36	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	7.3	178.9	-60.4	-78.2	0	0	0	113.4	N173 G177 A207 R208 L441	N173-F175 PolarHBondContact O-N 3.01Å; N173-F175 VanDerWaalsContact O-N 3.14Å; F175-G177 VanDerWaalsContact C-N 3.28Å; F175-G177 PolarHBondContact O-N 2.62Å; F175-A207 HydrophobicContact CD1-CB 3.74Å; F175-A207 HydrophobicContact CE1-CB 3.6Å; F175-R208 WeakPolarHBondContact O-CD 3.29Å; F175-R208 PolarHBondContact O-NH1 3.33Å; F175-L441 HydrophobicContact CE1-CD2 4.05Å
176	L	96.8	Very high	95.3	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.153	C	C	.	.			trans	54.1	43.3	172	-65.8	174.2	0	0	0	112.9	L166 E169 M170 N173 S178 Y179 I182 L201 R208	L166-L176 HydrophobicContact CD1-CD1 3.86Å; L166-L176 HydrophobicContact CD1-CD2 3.57Å; L166-L176 HydrophobicContact CD1-CG 4.36Å; L166-L176 HydrophobicContact CD2-CD1 4.46Å; L166-L176 HydrophobicContact CG-CD1 4.33Å; E169-L176 HydrophobicContact CG-CD2 4.39Å; M170-L176 HydrophobicContact CG-CD1 3.95Å; M170-L176 HydrophobicContact CG-CD2 3.62Å; M170-L176 HydrophobicContact CG-CG 3.84Å; M170-L176 HydrophobicContact SD-CD1 4.24Å; N173-L176 PolarHBondContact O-N 3.41Å; N173-L176 PolarHBondContact OD1-N 2.78Å; L176-S178 PolarHBondContact O-N 3.49Å; L176-Y179 HydrophobicContact CB-CD2 4.16Å; L176-Y179 HydrophobicContact CD2-CE2 4.49Å; L176-Y179 PolarHBondContact O-N 3.48Å; L176-I182 HydrophobicContact CB-CD1 4.29Å; L176-I182 HydrophobicContact CD1-CD1 3.52Å; L176-L201 HydrophobicContact CD1-CD2 3.93Å; L176-R208 VanDerWaalsContact C-NH1 3.26Å; L176-R208 PolarHBondContact O-NH1 2.81Å
177	G	96.3	Very high	95.1	Very high	43 Å²	43	26 Å²	26	44%	0.443	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-18.8	-172.4	0	0	0	0	0	115.8	N173 F175 Y179	N173-G177 PolarHBondContact ND2-N 2.99Å; N173-G177 VanDerWaalsContact ND2-N 3.12Å; N173-G177 PolarHBondContact OD1-N 3.4Å; F175-G177 VanDerWaalsContact C-N 3.28Å; F175-G177 PolarHBondContact O-N 2.62Å; G177-Y179 PolarHBondContact O-N 3.36Å
178	S	95.6	Very high	94.9	Very high	59 Å²	59	26.4 Å²	26.4	41%	0.413	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.8	178.6	-47	0	0	0	0	113.5	G111 G112 N173 L176	G111-S178 VanDerWaalsContact CA-O 3.31Å; G111-S178 WeakPolarHBondContact CA-O 3.44Å; G112-S178 PolarHBondContact N-O 3.13Å; N173-S178 PolarHBondContact ND2-OG 3.21Å; L176-S178 PolarHBondContact O-N 3.49Å
179	Y	98.1	Very high	94.7	Very high	7 Å²	7	24.1 Å²	24.1	3%	0.027	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.3	-170.3	-53.5	-64	0	0	0	112.6	H110 I114 R159 L166 E169 L176 G177 R208 L211	H110-Y179 CarbonylContact O-C 3.43Å; H110-Y179 VanDerWaalsContact O-O 3.12Å; I114-Y179 HydrophobicContact CB-CD1 3.73Å; I114-Y179 HydrophobicContact CB-CD2 4.4Å; I114-Y179 HydrophobicContact CB-CE1 3.6Å; I114-Y179 HydrophobicContact CB-CE2 4.28Å; I114-Y179 HydrophobicContact CB-CG 4.13Å; I114-Y179 HydrophobicContact CD1-CE1 4.11Å; I114-Y179 HydrophobicContact CD1-CE2 3.85Å; I114-Y179 VanDerWaalsContact CD1-OH 3.27Å; I114-Y179 WeakPolarHBondContact CD1-OH 3.49Å; I114-Y179 HydrophobicContact CG1-CE1 4.39Å; I114-Y179 HydrophobicContact CG2-CD1 3.82Å; I114-Y179 HydrophobicContact CG2-CD2 3.85Å; I114-Y179 HydrophobicContact CG2-CE1 4.09Å; I114-Y179 HydrophobicContact CG2-CE2 4.1Å; I114-Y179 HydrophobicContact CG2-CG 3.68Å; R159-Y179 WeakPolarHBondContact CD-OH 3.49Å; R159-Y179 PolarHBondContact NH1-OH 3.02Å; L166-Y179 HydrophobicContact CD1-CE2 4.34Å; E169-Y179 WeakPolarHBondContact OE1-CE2 3.25Å; E169-Y179 PolarHBondContact OE2-OH 3.25Å; E169-Y179 VanDerWaalsContact OE2-OH 3.05Å; L176-Y179 HydrophobicContact CB-CD2 4.16Å; L176-Y179 HydrophobicContact CD2-CE2 4.49Å; L176-Y179 PolarHBondContact O-N 3.48Å; G177-Y179 PolarHBondContact O-N 3.36Å; Y179-R208 PolarHBondContact O-NH1 2.62Å; Y179-R208 VanDerWaalsContact O-NH1 3.16Å; Y179-R208 PolarHBondContact O-NH2 2.96Å; Y179-R208 VanDerWaalsContact O-NH2 3.15Å; Y179-L211 WeakPolarHBondContact O-CD1 3.49Å
180	G	98.1	Very high	94.6	Very high	5 Å²	5	22.5 Å²	22.5	5%	0.052	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-24.2	169.2	0	0	0	0	0	112.2	H110 G112 K212	H110-G180 WeakPolarHBondContact O-CA 3.12Å; H110-G180 PolarHBondContact O-N 2.87Å; G112-G180 PolarHBondContact O-N 3.28Å; G180-K212 PolarHBondContact O-N 3.48Å
181	V	98.8	Very high	94.6	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	128.9	175.1	-171.6	0	0	0	0	110.3	C99 Y102 G112 V113 I114 I183 K212 I214	C99-V181 HydrophobicContact CB-CB 4.28Å; C99-V181 HydrophobicContact CB-CG1 3.93Å; C99-V181 HydrophobicContact CB-CG2 4.34Å; Y102-V181 HydrophobicContact CD1-CG2 3.94Å; Y102-V181 HydrophobicContact CE1-CG2 4.21Å; G112-V181 PolarHBondContact O-N 2.89Å; V113-V181 WeakPolarHBondContact CA-O 3.27Å; V113-V181 HydrophobicContact CG1-CB 4.35Å; V113-V181 HydrophobicContact CG2-CB 4.28Å; I114-V181 PolarHBondContact N-O 3.24Å; V181-I183 HydrophobicContact CG1-CG1 4.17Å; V181-K212 WeakPolarHBondContact CA-O 3.3Å; V181-K212 HydrophobicContact CB-CB 4.43Å; V181-K212 HydrophobicContact CG1-CB 4.18Å; V181-K212 HydrophobicContact CG2-CB 4.08Å; V181-K212 HydrophobicContact CG2-CG 4.39Å; V181-I214 HydrophobicContact CG1-CG1 3.97Å
182	I	98.8	Very high	94.9	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.1	170.7	-62.5	170.4	0	0	0	108.1	I114 L166 L176 L184 L201 L211 K212 L213 I214	I114-I182 HydrophobicContact CG2-CB 4.16Å; I114-I182 HydrophobicContact CG2-CG1 3.71Å; I114-I182 HydrophobicContact CG2-CG2 4.18Å; I114-I182 CarbonylContact O-C 3.58Å; L166-I182 HydrophobicContact CD2-CG2 4.12Å; L176-I182 HydrophobicContact CB-CD1 4.29Å; L176-I182 HydrophobicContact CD1-CD1 3.52Å; I182-L184 HydrophobicContact CG2-CD2 4.2Å; I182-L201 HydrophobicContact CD1-CD2 3.7Å; I182-L201 HydrophobicContact CG2-CD1 4.1Å; I182-L211 HydrophobicContact CD1-CD1 4.06Å; I182-L211 HydrophobicContact CD1-CD2 3.97Å; I182-L211 HydrophobicContact CD1-CG 4.47Å; I182-L211 HydrophobicContact CG1-CD1 4.1Å; I182-K212 PolarHBondContact N-O 3.34Å; I182-L213 HydrophobicContact CB-CD1 4.26Å; I182-L213 HydrophobicContact CG2-CD1 4.09Å; I182-L213 CarbonylContact O-C 3.59Å; I182-L213 WeakPolarHBondContact O-CA 3.36Å; I182-I214 PolarHBondContact O-N 3.08Å
183	I	98.8	Very high	95.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115	176.9	-50.9	172.1	0	0	0	107.1	V95 P96 C99 V113 I114 C115 T116 V181 I214	V95-I183 HydrophobicContact CG1-CD1 4.48Å; P96-I183 VanDerWaalsContact CA-CD1 3.47Å; P96-I183 HydrophobicContact CB-CD1 3.69Å; P96-I183 HydrophobicContact CG-CD1 3.64Å; C99-I183 HydrophobicContact CB-CD1 4.19Å; V113-I183 HydrophobicContact CG1-CD1 3.78Å; V113-I183 HydrophobicContact CG1-CG1 4.34Å; I114-I183 PolarHBondContact O-N 3.49Å; C115-I183 WeakPolarHBondContact CA-O 3.47Å; C115-I183 HydrophobicContact CB-CB 4.16Å; C115-I183 HydrophobicContact CB-CD1 4.4Å; T116-I183 PolarHBondContact N-O 2.72Å; V181-I183 HydrophobicContact CG1-CG1 4.17Å; I183-I214 WeakPolarHBondContact CA-O 3.41Å; I183-I214 HydrophobicContact CB-CB 4.31Å; I183-I214 HydrophobicContact CG1-CB 3.98Å; I183-I214 HydrophobicContact CG1-CG1 4.05Å; I183-I214 HydrophobicContact CG2-CB 4.13Å; I183-I214 HydrophobicContact CG2-CG2 4.36Å
184	L	98.3	Very high	95.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	110.4	168.1	-60.6	-175.3	0	0	0	107.9	T116 I182 I187 L197 L198 L201 L213 I214 N216	T116-L184 HydrophobicContact CG2-CD2 3.85Å; T116-L184 WeakPolarHBondContact OG1-CD2 3.49Å; I182-L184 HydrophobicContact CG2-CD2 4.2Å; L184-I187 HydrophobicContact CB-CG2 3.75Å; L184-L197 HydrophobicContact CD1-CB 4.29Å; L184-L197 HydrophobicContact CD2-CB 4.26Å; L184-L197 HydrophobicContact CD2-CD1 4.03Å; L184-L198 HydrophobicContact CD1-CD2 3.56Å; L184-L198 HydrophobicContact CD1-CG 3.85Å; L184-L201 HydrophobicContact CD1-CD1 3.85Å; L184-L201 HydrophobicContact CD2-CD1 4.22Å; L184-L201 HydrophobicContact CG-CD1 4.18Å; L184-L213 HydrophobicContact CD1-CD1 4.34Å; L184-L213 HydrophobicContact CG-CD1 4.05Å; L184-I214 PolarHBondContact N-O 2.69Å; L184-N216 PolarHBondContact O-N 3Å
185	D	95.9	Very high	95.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.092	C	C	.	.			trans	-105.5	160.8	-178	-153.6	1.5	0	0	0	112.6	S92 T116 Q117 I187 N216	S92-D185 WeakPolarHBondContact CA-OD2 3.48Å; S92-D185 WeakPolarHBondContact CB-OD2 3.28Å; S92-D185 PolarHBondContact OG-OD2 3.38Å; T116-D185 WeakPolarHBondContact O-CB 3.39Å; T116-D185 PolarHBondContact O-N 3.04Å; Q117-D185 VanDerWaalsContact NE2-CB 3.27Å; Q117-D185 PolarHBondContact NE2-OD2 3.13Å; D185-I187 PolarHBondContact O-N 3.45Å; D185-N216 HydrophobicContact CB-CB 4.26Å; D185-N216 WeakPolarHBondContact OD1-CB 3.47Å; D185-N216 PolarHBondContact OD1-ND2 3.05Å; D185-N216 PolarHBondContact OD2-ND2 3.36Å
186	D	89.4	Confident	95.3	Very high	20 Å²	20	11 Å²	11	11%	0.107	8%	0.075	C	C	.	.			trans	47.4	34.7	-178.6	-75.8	-16.1	0	0	0	114.4	Q117 H188 E189	Q117-D186 PolarHBondContact OE1-OD2 2.91Å; D186-H188 PolarHBondContact O-N 3.25Å; D186-H188 IonicContact OD1-CE1 3.59Å; D186-H188 PolarHBondContact OD1-CE1 2.85Å; D186-H188 VanDerWaalsContact OD1-CE1 3.28Å; D186-H188 IonicContact OD1-ND1 3.65Å; D186-E189 HydrophobicContact CB-CG 4.36Å; D186-E189 VanDerWaalsContact O-CB 3.32Å; D186-E189 WeakPolarHBondContact O-CB 3.31Å; D186-E189 PolarHBondContact O-N 2.91Å
187	I	92.7	Very high	95.3	Very high	0 Å²	0	11 Å²	11	0%	0	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-63.5	-10.9	-174.7	66.9	153.4	0	0	0	114.2	L184 D185 E189 R190 T194 L198 I215 L221 L225	L184-I187 HydrophobicContact CB-CG2 3.75Å; D185-I187 PolarHBondContact O-N 3.45Å; I187-E189 PolarHBondContact O-N 2.86Å; I187-R190 WeakPolarHBondContact O-CD 3.48Å; I187-R190 PolarHBondContact O-N 2.83Å; I187-T194 HydrophobicContact CB-CG2 3.78Å; I187-T194 HydrophobicContact CG2-CG2 3.58Å; I187-L198 HydrophobicContact CD1-CD1 4.48Å; I187-I215 HydrophobicContact CD1-CG2 3.28Å; I187-I215 HydrophobicContact CG1-CG2 4.04Å; I187-I215 HydrophobicContact CG2-CG2 4.46Å; I187-L221 HydrophobicContact CD1-CD2 3.62Å; I187-L221 HydrophobicContact CG1-CD2 3.77Å; I187-L225 HydrophobicContact CD1-CD1 3.71Å; I187-L225 HydrophobicContact CD1-CD2 3.66Å; I187-L225 HydrophobicContact CD1-CG 4.19Å
188	H	90.3	Very high	95.3	Very high	27 Å²	27	9 Å²	9	13%	0.125	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-70.2	-13.3	172.8	65.6	-86.1	0	0	0	113.4	D186 R190 L221 I387	D186-H188 PolarHBondContact O-N 3.25Å; D186-H188 IonicContact OD1-CE1 3.59Å; D186-H188 PolarHBondContact OD1-CE1 2.85Å; D186-H188 VanDerWaalsContact OD1-CE1 3.28Å; D186-H188 IonicContact OD1-ND1 3.65Å; H188-R190 VanDerWaalsContact C-N 3.26Å; H188-L221 HydrophobicContact CB-CD2 4.47Å; H188-I387 WeakPolarHBondContact CD2-CD1 3.48Å; H188-I387 WeakPolarHBondContact NE2-CD1 3.39Å
189	E	89.3	Confident	95.2	Very high	13 Å²	13	6.2 Å²	6.2	6%	0.061	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-69.1	-24.8	170.3	-74.8	-61.2	147.1	0	0	112.8	V118 D186 I187 S191 K417	V118-E189 HydrophobicContact CB-CB 4.24Å; V118-E189 HydrophobicContact CB-CG 4.39Å; V118-E189 HydrophobicContact CG1-CB 4.37Å; V118-E189 HydrophobicContact CG2-CB 3.65Å; V118-E189 HydrophobicContact CG2-CG 4.18Å; D186-E189 HydrophobicContact CB-CG 4.36Å; D186-E189 VanDerWaalsContact O-CB 3.32Å; D186-E189 WeakPolarHBondContact O-CB 3.31Å; D186-E189 PolarHBondContact O-N 2.91Å; I187-E189 PolarHBondContact O-N 2.86Å; E189-S191 VanDerWaalsContact C-N 3.34Å; E189-S191 PolarHBondContact O-N 3.22Å; E189-K417 IonicContact OE2-NZ 2.72Å; E189-K417 PolarHBondContact OE2-NZ 2.9Å
190	R	92.8	Very high	95.1	Very high	4 Å²	4	5.9 Å²	5.9	2%	0.015	3%	0.033	C	C	.	.			trans	55.8	42.5	173.1	-55.2	-62.2	-54.9	-63	-2.5	113.9	I187 H188 D195 A419 E420 N448	I187-R190 WeakPolarHBondContact O-CD 3.48Å; I187-R190 PolarHBondContact O-N 2.83Å; H188-R190 VanDerWaalsContact C-N 3.26Å; R190-D195 IonicContact CZ-OD1 2.8Å; R190-D195 IonicContact CZ-OD2 3.92Å; R190-D195 IonicContact NE-OD1 3.27Å; R190-D195 PolarHBondContact NE-OD1 3.05Å; R190-D195 IonicContact NE-OD2 2.65Å; R190-D195 IonicContact NH2-OD1 2.87Å; R190-D195 PolarHBondContact NH2-OD1 3.45Å; R190-D195 IonicContact NH2-OD2 3.29Å; R190-D195 PolarHBondContact NH2-OD2 3.35Å; R190-A419 HydrophobicContact CB-CB 4.48Å; R190-E420 WeakPolarHBondContact O-CB 3.5Å; R190-E420 PolarHBondContact O-N 2.82Å; R190-N448 PolarHBondContact NH1-OD1 3.26Å; R190-N448 PolarHBondContact NH2-OD1 2.84Å
191	S	93.9	Very high	95	Very high	10 Å²	10	5.7 Å²	5.7	7%	0.07	3%	0.031	C	C	.	.			trans	-64.9	157.3	173.6	85.8	0	0	0	0	111.1	D163 E189 A193 T194 D195 E420	D163-S191 PolarHBondContact OD2-OG 3.47Å; E189-S191 VanDerWaalsContact C-N 3.34Å; E189-S191 PolarHBondContact O-N 3.22Å; S191-A193 PolarHBondContact O-N 2.8Å; S191-A193 PolarHBondContact OG-N 2.9Å; S191-T194 PolarHBondContact O-N 2.78Å; S191-T194 PolarHBondContact OG-N 3.49Å; S191-T194 PolarHBondContact OG-OG1 3.22Å; S191-D195 PolarHBondContact O-N 3.39Å; S191-D195 VanDerWaalsContact O-N 3.08Å; S191-E420 VanDerWaalsContact CA-OE2 3.24Å; S191-E420 WeakPolarHBondContact CA-OE2 3.33Å
192	I	95.1	Very high	94.8	Very high	28 Å²	28	7.6 Å²	7.6	14%	0.144	4%	0.039	C	C	.	.	H	α-helix	trans	-55.4	-43.3	174.3	-58.4	173.5	0	0	0	110.1	D195 V196 E420 M421 A424 L426 M429	I192-D195 PolarHBondContact O-N 3.39Å; I192-V196 HydrophobicContact CG2-CG2 4.29Å; I192-V196 WeakPolarHBondContact O-CB 3.5Å; I192-V196 VanDerWaalsContact O-CG2 3.27Å; I192-V196 WeakPolarHBondContact O-CG2 3.34Å; I192-V196 PolarHBondContact O-N 3.13Å; I192-E420 HydrophobicContact CD1-CG 4.3Å; I192-E420 HydrophobicContact CG1-CB 4.07Å; I192-E420 HydrophobicContact CG1-CG 3.89Å; I192-E420 PolarHBondContact N-OE2 3.4Å; I192-M421 HydrophobicContact CG1-CB 4.12Å; I192-A424 HydrophobicContact CD1-CB 3.6Å; I192-A424 HydrophobicContact CG1-CB 4.46Å; I192-L426 HydrophobicContact CD1-CD2 4.29Å; I192-M429 HydrophobicContact CG2-CB 4.04Å; I192-M429 HydrophobicContact CG2-CG 3.75Å; I192-M429 HydrophobicContact CG2-SD 3.65Å
193	A	95.5	Very high	94.5	Very high	14 Å²	14	9.6 Å²	9.6	12%	0.116	5%	0.05	C	C	.	.	H	α-helix	trans	-66.4	-44.2	-175.3	0	0	0	0	0	111.7	D163 D164 Q167 S191 D195 V196 L197	D163-A193 HydrophobicContact CB-CB 3.53Å; D164-A193 HydrophobicContact CB-CB 4.36Å; Q167-A193 PolarHBondContact NE2-O 3.05Å; S191-A193 PolarHBondContact O-N 2.8Å; S191-A193 PolarHBondContact OG-N 2.9Å; A193-D195 PolarHBondContact O-N 3.39Å; A193-V196 PolarHBondContact O-N 3.05Å; A193-L197 WeakPolarHBondContact O-CB 3.11Å; A193-L197 VanDerWaalsContact O-CG 3.29Å; A193-L197 WeakPolarHBondContact O-CG 3.41Å; A193-L197 PolarHBondContact O-N 3.2Å
194	T	95.6	Very high	94.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.4	-49.6	175	-38.1	0	0	0	0	111.6	D163 I187 S191 V196 L197 L198	D163-T194 WeakPolarHBondContact OD2-CB 3.35Å; D163-T194 PolarHBondContact OD2-OG1 3.06Å; I187-T194 HydrophobicContact CB-CG2 3.78Å; I187-T194 HydrophobicContact CG2-CG2 3.58Å; S191-T194 PolarHBondContact O-N 2.78Å; S191-T194 PolarHBondContact OG-N 3.49Å; S191-T194 PolarHBondContact OG-OG1 3.22Å; T194-V196 VanDerWaalsContact C-N 3.33Å; T194-V196 PolarHBondContact O-N 3.43Å; T194-L197 PolarHBondContact O-N 2.94Å; T194-L198 HydrophobicContact CG2-CD1 4.25Å; T194-L198 WeakPolarHBondContact O-CG 3.26Å; T194-L198 PolarHBondContact O-N 3.44Å
195	D	95.3	Very high	94.3	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-66	-36.1	-174.7	-93.2	24.1	0	0	0	111.9	R190 S191 I192 A193 G199 M421	R190-D195 IonicContact CZ-OD1 2.8Å; R190-D195 IonicContact CZ-OD2 3.92Å; R190-D195 IonicContact NE-OD1 3.27Å; R190-D195 PolarHBondContact NE-OD1 3.05Å; R190-D195 IonicContact NE-OD2 2.65Å; R190-D195 IonicContact NH2-OD1 2.87Å; R190-D195 PolarHBondContact NH2-OD1 3.45Å; R190-D195 IonicContact NH2-OD2 3.29Å; R190-D195 PolarHBondContact NH2-OD2 3.35Å; S191-D195 PolarHBondContact O-N 3.39Å; S191-D195 VanDerWaalsContact O-N 3.08Å; I192-D195 PolarHBondContact O-N 3.39Å; A193-D195 PolarHBondContact O-N 3.39Å; D195-G199 PolarHBondContact O-N 3.11Å; D195-M421 HydrophobicContact CB-CE 4.49Å
196	V	95.8	Very high	94.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-70.2	-43.1	173.5	167.7	0	0	0	0	111.1	Q167 I192 A193 T194 L198 G199 L200 M429 F432 M433 F446	Q167-V196 VanDerWaalsContact NE2-CB 3.27Å; Q167-V196 VanDerWaalsContact NE2-CG1 3.33Å; I192-V196 HydrophobicContact CG2-CG2 4.29Å; I192-V196 WeakPolarHBondContact O-CB 3.5Å; I192-V196 VanDerWaalsContact O-CG2 3.27Å; I192-V196 WeakPolarHBondContact O-CG2 3.34Å; I192-V196 PolarHBondContact O-N 3.13Å; A193-V196 PolarHBondContact O-N 3.05Å; T194-V196 VanDerWaalsContact C-N 3.33Å; T194-V196 PolarHBondContact O-N 3.43Å; V196-L198 VanDerWaalsContact C-N 3.32Å; V196-L198 PolarHBondContact O-N 3.25Å; V196-G199 PolarHBondContact O-N 3.33Å; V196-G199 VanDerWaalsContact O-N 3.08Å; V196-L200 HydrophobicContact CG1-CD1 3.68Å; V196-L200 HydrophobicContact CG1-CG 4.13Å; V196-L200 WeakPolarHBondContact O-CG 3.4Å; V196-L200 PolarHBondContact O-N 2.88Å; V196-M429 HydrophobicContact CG2-CG 3.82Å; V196-M429 HydrophobicContact CG2-SD 3.85Å; V196-F432 HydrophobicContact CG1-CD1 4.21Å; V196-F432 HydrophobicContact CG1-CE1 3.75Å; V196-M433 HydrophobicContact CG1-SD 3.91Å; V196-F446 HydrophobicContact CG2-CE1 3.78Å
197	L	96.6	Very high	94.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.1	-42.6	176.1	-77.1	169.7	0	0	0	111.4	D163 L166 Q167 M170 L184 A193 T194 G199 L200 L201	D163-L197 HydrophobicContact CB-CD1 4.05Å; L166-L197 HydrophobicContact CB-CD1 4.38Å; L166-L197 HydrophobicContact CD2-CD1 4.08Å; L166-L197 HydrophobicContact CD2-CD2 3.91Å; L166-L197 HydrophobicContact CG-CD2 4.03Å; Q167-L197 HydrophobicContact CG-CD1 4.27Å; Q167-L197 HydrophobicContact CG-CD2 3.8Å; Q167-L197 HydrophobicContact CG-CG 3.79Å; M170-L197 HydrophobicContact SD-CD2 3.7Å; L184-L197 HydrophobicContact CD1-CB 4.29Å; L184-L197 HydrophobicContact CD2-CB 4.26Å; L184-L197 HydrophobicContact CD2-CD1 4.03Å; A193-L197 WeakPolarHBondContact O-CB 3.11Å; A193-L197 VanDerWaalsContact O-CG 3.29Å; A193-L197 WeakPolarHBondContact O-CG 3.41Å; A193-L197 PolarHBondContact O-N 3.2Å; T194-L197 PolarHBondContact O-N 2.94Å; L197-G199 PolarHBondContact O-N 3.25Å; L197-L200 PolarHBondContact O-N 2.86Å; L197-L201 VanDerWaalsContact O-CB 3.26Å; L197-L201 WeakPolarHBondContact O-CB 3.32Å; L197-L201 WeakPolarHBondContact O-CG 3.41Å; L197-L201 PolarHBondContact O-N 2.7Å
198	L	95.7	Very high	94.7	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-57.7	-36.3	174.5	-73.9	166.9	0	0	0	112.1	L184 I187 T194 V196 I215 Y228 Y229 M447	L184-L198 HydrophobicContact CD1-CD2 3.56Å; L184-L198 HydrophobicContact CD1-CG 3.85Å; I187-L198 HydrophobicContact CD1-CD1 4.48Å; T194-L198 HydrophobicContact CG2-CD1 4.25Å; T194-L198 WeakPolarHBondContact O-CG 3.26Å; T194-L198 PolarHBondContact O-N 3.44Å; V196-L198 VanDerWaalsContact C-N 3.32Å; V196-L198 PolarHBondContact O-N 3.25Å; L198-I215 HydrophobicContact CD2-CD1 4.11Å; L198-Y228 HydrophobicContact CB-CE1 4.47Å; L198-Y228 PolarHBondContact O-OH 2.96Å; L198-Y229 HydrophobicContact CD2-CE2 4.03Å; L198-Y229 PolarHBondContact O-OH 2.69Å; L198-M447 HydrophobicContact CD1-CE 3.96Å
199	G	94.8	Very high	95	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-73.7	-52.5	176	0	0	0	0	0	113.2	D195 V196 L197 L201 K202 Y228 D445	D195-G199 PolarHBondContact O-N 3.11Å; V196-G199 PolarHBondContact O-N 3.33Å; V196-G199 VanDerWaalsContact O-N 3.08Å; L197-G199 PolarHBondContact O-N 3.25Å; G199-L201 PolarHBondContact O-N 2.91Å; G199-K202 WeakPolarHBondContact O-CB 3.19Å; G199-K202 PolarHBondContact O-N 2.99Å; G199-Y228 WeakPolarHBondContact CA-OH 3.32Å; G199-D445 WeakPolarHBondContact CA-O 3.43Å
200	L	95.5	Very high	95.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.9	-35.9	-175.5	-68.4	177	0	0	0	113.1	M170 V196 L197 K202 D203 V204 F432 M433 I436 L441 C444	M170-L200 HydrophobicContact CE-CB 4.02Å; M170-L200 HydrophobicContact CE-CD1 4.09Å; M170-L200 HydrophobicContact SD-CD1 4.35Å; V196-L200 HydrophobicContact CG1-CD1 3.68Å; V196-L200 HydrophobicContact CG1-CG 4.13Å; V196-L200 WeakPolarHBondContact O-CG 3.4Å; V196-L200 PolarHBondContact O-N 2.88Å; L197-L200 PolarHBondContact O-N 2.86Å; L200-K202 PolarHBondContact O-N 2.76Å; L200-D203 PolarHBondContact O-N 3.11Å; L200-D203 VanDerWaalsContact O-N 3.12Å; L200-V204 PolarHBondContact O-N 3.42Å; L200-F432 HydrophobicContact CD1-CE1 3.66Å; L200-F432 HydrophobicContact CD1-CZ 3.97Å; L200-M433 HydrophobicContact CD1-SD 4.37Å; L200-M433 HydrophobicContact CD2-CE 4.09Å; L200-M433 HydrophobicContact CD2-SD 4.26Å; L200-I436 HydrophobicContact CD1-CG2 4.16Å; L200-I436 HydrophobicContact CD2-CG2 3.94Å; L200-L441 HydrophobicContact CD2-CB 4.41Å; L200-L441 WeakPolarHBondContact CD2-O 3.47Å; L200-C444 HydrophobicContact CD2-CB 3.91Å; L200-C444 HydrophobicContact CG-CB 4.38Å
201	L	96.1	Very high	95.6	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-65.2	-20.4	-179.3	-72.4	173.7	0	0	0	112.7	L176 I182 L184 L197 G199 D203 V204 L205 L213	L176-L201 HydrophobicContact CD1-CD2 3.93Å; I182-L201 HydrophobicContact CD1-CD2 3.7Å; I182-L201 HydrophobicContact CG2-CD1 4.1Å; L184-L201 HydrophobicContact CD1-CD1 3.85Å; L184-L201 HydrophobicContact CD2-CD1 4.22Å; L184-L201 HydrophobicContact CG-CD1 4.18Å; L197-L201 VanDerWaalsContact O-CB 3.26Å; L197-L201 WeakPolarHBondContact O-CB 3.32Å; L197-L201 WeakPolarHBondContact O-CG 3.41Å; L197-L201 PolarHBondContact O-N 2.7Å; G199-L201 PolarHBondContact O-N 2.91Å; L201-D203 VanDerWaalsContact C-N 3.33Å; L201-D203 PolarHBondContact O-N 3.15Å; L201-V204 HydrophobicContact CD2-CB 4.27Å; L201-V204 HydrophobicContact CD2-CG2 4.42Å; L201-V204 PolarHBondContact O-N 2.94Å; L201-L205 VanDerWaalsContact O-CB 3.29Å; L201-L205 WeakPolarHBondContact O-CB 3.42Å; L201-L205 WeakPolarHBondContact O-CD1 3.48Å; L201-L205 WeakPolarHBondContact O-CG 3.16Å; L201-L205 PolarHBondContact O-N 3.02Å; L201-L213 HydrophobicContact CB-CD2 4.41Å; L201-L213 HydrophobicContact CD1-CD1 3.86Å; L201-L213 HydrophobicContact CD1-CD2 4.43Å
202	K	94.1	Very high	95.9	Very high	39 Å²	39	25.6 Å²	25.6	17%	0.17	14%	0.144	C	C	.	.	H	α-helix	trans	-58.5	-46.7	171.7	-71.4	-176.8	172.5	-172.1	0	111.4	G199 L200 L205 L206 Y228 Y229 D445	G199-K202 WeakPolarHBondContact O-CB 3.19Å; G199-K202 PolarHBondContact O-N 2.99Å; L200-K202 PolarHBondContact O-N 2.76Å; K202-L205 PolarHBondContact O-N 3.01Å; K202-L206 WeakPolarHBondContact O-CG 3.44Å; K202-L206 PolarHBondContact O-N 3.36Å; K202-Y228 VanDerWaalsContact CE-CE1 3.4Å; K202-Y228 VanDerWaalsContact CE-OH 3.26Å; K202-Y228 WeakPolarHBondContact CE-OH 3.44Å; K202-Y228 PolarHBondContact NZ-O 2.95Å; K202-Y228 PolarHBondContact NZ-OH 2.84Å; K202-Y229 HydrophobicContact CD-CE1 4.22Å; K202-Y229 VanDerWaalsContact CE-CE1 3.45Å; K202-Y229 HydrophobicContact CG-CD1 4.44Å; K202-Y229 HydrophobicContact CG-CE1 3.71Å; K202-D445 HydrophobicContact CD-CB 4.27Å; K202-D445 IonicContact NZ-OD2 2.85Å; K202-D445 PolarHBondContact NZ-OD2 2.99Å
203	D	93.9	Very high	96	Very high	44 Å²	44	24.3 Å²	24.3	24%	0.235	14%	0.138	C	C	.	.	H	α-helix	trans	-71.2	-38	179.1	-70.5	-12.2	0	0	0	111.3	L200 L201 L205 L206 A207 L441	L200-D203 PolarHBondContact O-N 3.11Å; L200-D203 VanDerWaalsContact O-N 3.12Å; L201-D203 VanDerWaalsContact C-N 3.33Å; L201-D203 PolarHBondContact O-N 3.15Å; D203-L205 VanDerWaalsContact C-N 3.35Å; D203-L205 PolarHBondContact O-N 3.41Å; D203-L206 WeakPolarHBondContact O-CB 3.48Å; D203-L206 PolarHBondContact O-N 2.85Å; D203-A207 PolarHBondContact O-N 3.34Å; D203-L441 HydrophobicContact CB-CD2 3.59Å
204	V	96.1	Very high	96.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62	-42.5	175.1	-179.4	0	0	0	0	111.3	M170 L200 L201 L206 A207 R208 L211 L441	M170-V204 HydrophobicContact CE-CG2 4.12Å; L200-V204 PolarHBondContact O-N 3.42Å; L201-V204 HydrophobicContact CD2-CB 4.27Å; L201-V204 HydrophobicContact CD2-CG2 4.42Å; L201-V204 PolarHBondContact O-N 2.94Å; V204-L206 VanDerWaalsContact C-N 3.32Å; V204-L206 PolarHBondContact O-N 2.93Å; V204-A207 CarbonylContact O-C 3.55Å; V204-A207 PolarHBondContact O-N 2.86Å; V204-A207 VanDerWaalsContact O-N 3.17Å; V204-R208 WeakPolarHBondContact O-CB 3.47Å; V204-R208 PolarHBondContact O-N 2.78Å; V204-L211 HydrophobicContact CG1-CD2 3.69Å; V204-L441 HydrophobicContact CG2-CD1 3.99Å; V204-L441 HydrophobicContact CG2-CD2 4.24Å
205	L	96.1	Very high	96.3	Very high	8 Å²	8	23.7 Å²	23.7	4%	0.042	13%	0.132	C	C	.	.	H	α-helix	trans	-66.4	-32.2	177.9	-71.6	167.1	0	0	0	112.6	Q79 I80 L201 K202 D203 R208 L211 L213	Q79-L205 HydrophobicContact CG-CD2 3.97Å; Q79-L205 PolarHBondContact NE2-O 3.33Å; I80-L205 HydrophobicContact CD1-CD1 3.73Å; I80-L205 HydrophobicContact CG1-CD1 3.88Å; L201-L205 VanDerWaalsContact O-CB 3.29Å; L201-L205 WeakPolarHBondContact O-CB 3.42Å; L201-L205 WeakPolarHBondContact O-CD1 3.48Å; L201-L205 WeakPolarHBondContact O-CG 3.16Å; L201-L205 PolarHBondContact O-N 3.02Å; K202-L205 PolarHBondContact O-N 3.01Å; D203-L205 VanDerWaalsContact C-N 3.35Å; D203-L205 PolarHBondContact O-N 3.41Å; L205-R208 CarbonylContact O-C 3.6Å; L205-L211 HydrophobicContact CD2-CB 4.23Å; L205-L211 HydrophobicContact CD2-CD2 4.06Å; L205-L211 HydrophobicContact CD2-CG 4.04Å; L205-L211 WeakPolarHBondContact CD2-O 3.17Å; L205-L213 HydrophobicContact CD1-CB 3.98Å; L205-L213 HydrophobicContact CD1-CD2 3.73Å; L205-L213 HydrophobicContact CD2-CB 4.09Å
206	L	94.4	Very high	96.3	Very high	140 Å²	140	23.7 Å²	23.7	73%	0.733	13%	0.132	S	C	*	.	H	α-helix	trans	-66.8	-38.8	171.7	-70.3	173.4	0	0	0	111.6	K202 D203 V204	K202-L206 WeakPolarHBondContact O-CG 3.44Å; K202-L206 PolarHBondContact O-N 3.36Å; D203-L206 WeakPolarHBondContact O-CB 3.48Å; D203-L206 PolarHBondContact O-N 2.85Å; V204-L206 VanDerWaalsContact C-N 3.32Å; V204-L206 PolarHBondContact O-N 2.93Å
207	A	95.1	Very high	96.1	Very high	57 Å²	57	23.7 Å²	23.7	47%	0.471	13%	0.132	S	C	.	.	H	α-helix	trans	-75.4	-28	177.2	0	0	0	0	0	113.2	F175 D203 V204	F175-A207 HydrophobicContact CD1-CB 3.74Å; F175-A207 HydrophobicContact CE1-CB 3.6Å; D203-A207 PolarHBondContact O-N 3.34Å; V204-A207 CarbonylContact O-C 3.55Å; V204-A207 PolarHBondContact O-N 2.86Å; V204-A207 VanDerWaalsContact O-N 3.17Å
208	R	97.2	Very high	95.8	Very high	27 Å²	27	24.2 Å²	24.2	10%	0.102	14%	0.136	C	C	.	.			trans	-125.7	81	-176.7	-64.7	-168.6	65.2	-159.5	-5.7	112.1	Q79 F175 L176 Y179 V204 L205 E210 L211	Q79-R208 PolarHBondContact NE2-O 2.77Å; F175-R208 WeakPolarHBondContact O-CD 3.29Å; F175-R208 PolarHBondContact O-NH1 3.33Å; L176-R208 VanDerWaalsContact C-NH1 3.26Å; L176-R208 PolarHBondContact O-NH1 2.81Å; Y179-R208 PolarHBondContact O-NH1 2.62Å; Y179-R208 VanDerWaalsContact O-NH1 3.16Å; Y179-R208 PolarHBondContact O-NH2 2.96Å; Y179-R208 VanDerWaalsContact O-NH2 3.15Å; V204-R208 WeakPolarHBondContact O-CB 3.47Å; V204-R208 PolarHBondContact O-N 2.78Å; L205-R208 CarbonylContact O-C 3.6Å; R208-E210 VanDerWaalsContact C-OE2 3.26Å; R208-E210 WeakPolarHBondContact CA-OE2 3.41Å; R208-E210 IonicContact CZ-OE1 3.3Å; R208-E210 VanDerWaalsContact CZ-OE1 3.3Å; R208-E210 IonicContact NE-OE1 2.6Å; R208-E210 PolarHBondContact NE-OE1 2.93Å; R208-E210 IonicContact NH2-OE1 3Å; R208-E210 PolarHBondContact NH2-OE1 3.15Å; R208-E210 PolarHBondContact O-N 2.73Å; R208-E210 VanDerWaalsContact O-N 3.15Å; R208-L211 HydrophobicContact CB-CB 3.83Å; R208-L211 HydrophobicContact CB-CD2 4.48Å; R208-L211 WeakPolarHBondContact O-CB 3.48Å; R208-L211 PolarHBondContact O-N 3.18Å; R208-L211 VanDerWaalsContact O-N 3.09Å
209	P	96.9	Very high	95.5	Very high	95 Å²	95	26.3 Å²	26.3	62%	0.617	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-23	179.8	-24.7	35.3	0	0	0	114.7
210	E	96.6	Very high	95.2	Very high	61 Å²	61	30.1 Å²	30.1	29%	0.285	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-24.6	177.9	78.2	-67.7	170	0	0	113.5	H110 R208 K212	H110-E210 HydrophobicContact CB-CG 4.14Å; R208-E210 VanDerWaalsContact C-OE2 3.26Å; R208-E210 WeakPolarHBondContact CA-OE2 3.41Å; R208-E210 IonicContact CZ-OE1 3.3Å; R208-E210 VanDerWaalsContact CZ-OE1 3.3Å; R208-E210 IonicContact NE-OE1 2.6Å; R208-E210 PolarHBondContact NE-OE1 2.93Å; R208-E210 IonicContact NH2-OE1 3Å; R208-E210 PolarHBondContact NH2-OE1 3.15Å; R208-E210 PolarHBondContact O-N 2.73Å; R208-E210 VanDerWaalsContact O-N 3.15Å; E210-K212 PolarHBondContact O-N 3.06Å
211	L	98.4	Very high	95	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.168	C	C	.	.			trans	-66.5	130.6	-179.7	179	65.2	0	0	0	110.2	Q79 Y179 I182 V204 L205 R208	Q79-L211 WeakPolarHBondContact CG-O 3.02Å; Q79-L211 PolarHBondContact NE2-O 3.25Å; Y179-L211 WeakPolarHBondContact O-CD1 3.49Å; I182-L211 HydrophobicContact CD1-CD1 4.06Å; I182-L211 HydrophobicContact CD1-CD2 3.97Å; I182-L211 HydrophobicContact CD1-CG 4.47Å; I182-L211 HydrophobicContact CG1-CD1 4.1Å; V204-L211 HydrophobicContact CG1-CD2 3.69Å; L205-L211 HydrophobicContact CD2-CB 4.23Å; L205-L211 HydrophobicContact CD2-CD2 4.06Å; L205-L211 HydrophobicContact CD2-CG 4.04Å; L205-L211 WeakPolarHBondContact CD2-O 3.17Å; R208-L211 HydrophobicContact CB-CB 3.83Å; R208-L211 HydrophobicContact CB-CD2 4.48Å; R208-L211 WeakPolarHBondContact O-CB 3.48Å; R208-L211 PolarHBondContact O-N 3.18Å; R208-L211 VanDerWaalsContact O-N 3.09Å
212	K	98.5	Very high	94.8	Very high	20 Å²	20	31 Å²	31	9%	0.087	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.8	175	-54.2	-62.3	-172.6	163.3	0	110.7	L75 N78 Q79 Y102 G180 V181 I182 E210	L75-K212 HydrophobicContact CD1-CB 3.87Å; L75-K212 HydrophobicContact CD1-CD 4.18Å; L75-K212 HydrophobicContact CD1-CG 3.85Å; L75-K212 WeakPolarHBondContact O-CE 3.14Å; L75-K212 PolarHBondContact O-NZ 3.42Å; N78-K212 WeakPolarHBondContact O-CD 3.4Å; N78-K212 PolarHBondContact O-NZ 3.49Å; Q79-K212 CarbonylContact O-C 3.07Å; Q79-K212 WeakPolarHBondContact O-CA 2.94Å; Y102-K212 HydrophobicContact CE1-CG 4.17Å; G180-K212 PolarHBondContact O-N 3.48Å; V181-K212 WeakPolarHBondContact CA-O 3.3Å; V181-K212 HydrophobicContact CB-CB 4.43Å; V181-K212 HydrophobicContact CG1-CB 4.18Å; V181-K212 HydrophobicContact CG2-CB 4.08Å; V181-K212 HydrophobicContact CG2-CG 4.39Å; I182-K212 PolarHBondContact N-O 3.34Å; E210-K212 PolarHBondContact O-N 3.06Å
213	L	98.6	Very high	94.7	Very high	2 Å²	2	33 Å²	33	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.1	172.7	177.3	61	0	0	0	110.4	Q79 I80 V81 I182 L184 L201 L205 I215	Q79-L213 PolarHBondContact O-N 2.77Å; I80-L213 CarbonylContact C-O 3.36Å; I80-L213 VanDerWaalsContact CA-O 3.26Å; I80-L213 WeakPolarHBondContact CA-O 3.33Å; I80-L213 HydrophobicContact CG1-CB 4.36Å; I80-L213 HydrophobicContact CG2-CB 4.31Å; I80-L213 HydrophobicContact CG2-CD2 4.27Å; I80-L213 HydrophobicContact CG2-CG 4.28Å; V81-L213 PolarHBondContact N-O 3.41Å; I182-L213 HydrophobicContact CB-CD1 4.26Å; I182-L213 HydrophobicContact CG2-CD1 4.09Å; I182-L213 CarbonylContact O-C 3.59Å; I182-L213 WeakPolarHBondContact O-CA 3.36Å; L184-L213 HydrophobicContact CD1-CD1 4.34Å; L184-L213 HydrophobicContact CG-CD1 4.05Å; L201-L213 HydrophobicContact CB-CD2 4.41Å; L201-L213 HydrophobicContact CD1-CD1 3.86Å; L201-L213 HydrophobicContact CD1-CD2 4.43Å; L205-L213 HydrophobicContact CD1-CB 3.98Å; L205-L213 HydrophobicContact CD1-CD2 3.73Å; L205-L213 HydrophobicContact CD2-CB 4.09Å; L213-I215 HydrophobicContact CD2-CD1 4.25Å; L213-I215 HydrophobicContact CD2-CG1 4.28Å; L213-I215 HydrophobicContact CG-CG1 4.12Å
214	I	98.6	Very high	94.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.2	171	-46.7	-58	0	0	0	109	F71 L75 V81 V83 V95 V181 I182 I183 L184	F71-I214 HydrophobicContact CE2-CD1 4.03Å; F71-I214 HydrophobicContact CE2-CG2 4.29Å; F71-I214 HydrophobicContact CZ-CD1 4.05Å; F71-I214 HydrophobicContact CZ-CG1 4.42Å; L75-I214 HydrophobicContact CD1-CD1 3.81Å; V81-I214 HydrophobicContact CB-CD1 4Å; V81-I214 HydrophobicContact CG2-CD1 4.49Å; V81-I214 WeakPolarHBondContact O-CA 3.29Å; V83-I214 HydrophobicContact CG2-CG2 3.93Å; V95-I214 HydrophobicContact CG1-CG2 3.92Å; V181-I214 HydrophobicContact CG1-CG1 3.97Å; I182-I214 PolarHBondContact O-N 3.08Å; I183-I214 WeakPolarHBondContact CA-O 3.41Å; I183-I214 HydrophobicContact CB-CB 4.31Å; I183-I214 HydrophobicContact CG1-CB 3.98Å; I183-I214 HydrophobicContact CG1-CG1 4.05Å; I183-I214 HydrophobicContact CG2-CB 4.13Å; I183-I214 HydrophobicContact CG2-CG2 4.36Å; L184-I214 PolarHBondContact N-O 2.69Å
215	I	97.9	Very high	94.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	104.1	175.9	-58.4	175.9	0	0	0	107.8	I80 V81 I82 V83 I187 L198 L213 L225 Y229	I80-I215 HydrophobicContact CG2-CD1 4.11Å; I80-I215 HydrophobicContact CG2-CG1 4.49Å; V81-I215 PolarHBondContact O-N 2.51Å; I82-I215 WeakPolarHBondContact CA-O 3.39Å; I82-I215 HydrophobicContact CG1-CB 4.37Å; V83-I215 PolarHBondContact N-O 3.24Å; I187-I215 HydrophobicContact CD1-CG2 3.28Å; I187-I215 HydrophobicContact CG1-CG2 4.04Å; I187-I215 HydrophobicContact CG2-CG2 4.46Å; L198-I215 HydrophobicContact CD2-CD1 4.11Å; L213-I215 HydrophobicContact CD2-CD1 4.25Å; L213-I215 HydrophobicContact CD2-CG1 4.28Å; L213-I215 HydrophobicContact CG-CG1 4.12Å; I215-L225 HydrophobicContact CG2-CD1 4.25Å; I215-L225 HydrophobicContact CG2-CD2 4.34Å; I215-Y229 HydrophobicContact CD1-CD2 4.17Å; I215-Y229 HydrophobicContact CD1-CE2 3.65Å
216	N	95.9	Very high	94.3	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.6	172.9	-73.1	-8.8	0	0	0	108.9	V83 L184 D185	V83-N216 WeakPolarHBondContact CB-OD1 3.42Å; V83-N216 WeakPolarHBondContact O-CA 3.27Å; L184-N216 PolarHBondContact O-N 3Å; D185-N216 HydrophobicContact CB-CB 4.26Å; D185-N216 WeakPolarHBondContact OD1-CB 3.47Å; D185-N216 PolarHBondContact OD1-ND2 3.05Å; D185-N216 PolarHBondContact OD2-ND2 3.36Å
217	S	91.9	Very high	94.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	161.1	-172	-178.1	0	0	0	0	112.7	V83 S84 G85 L221	V83-S217 PolarHBondContact O-N 3Å; S84-S217 WeakPolarHBondContact CA-O 3.45Å; G85-S217 PolarHBondContact N-O 2.9Å; S217-L221 WeakPolarHBondContact OG-CB 3.32Å
218	S	88.9	Confident	94.2	Very high	11 Å²	11	32.3 Å²	32.3	8%	0.077	18%	0.184	C	C	.	.			trans	-75.6	154.1	164.6	74.7	0	0	0	0	110.8	H220 L221	S218-H220 PolarHBondContact O-N 2.86Å; S218-L221 PolarHBondContact O-N 3.28Å
219	P	89.4	Confident	94	Very high	44 Å²	44	32.6 Å²	32.6	29%	0.286	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-57.4	-29.3	177.7	-26.4	35.2	0	0	0	114.3	S84 L221 I222	S84-P219 WeakPolarHBondContact OG-CA 3.47Å; P219-L221 VanDerWaalsContact C-N 3.31Å; P219-L221 PolarHBondContact O-N 2.88Å; P219-I222 WeakPolarHBondContact O-CG1 2.85Å; P219-I222 PolarHBondContact O-N 2.8Å
220	H	88.7	Confident	93.6	Very high	81 Å²	81	29.7 Å²	29.7	38%	0.375	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-67.9	-28.1	-176.7	-64.4	-80.5	0	0	0	113.5	S218 L416	S218-H220 PolarHBondContact O-N 2.86Å; H220-L416 HydrophobicContact CB-CD2 3.72Å
221	L	91.3	Very high	93.2	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-89.4	-11.4	-175.3	-170.2	65	0	0	0	113.4	I187 H188 S217 S218 P219 S223 K224 L225 L416	I187-L221 HydrophobicContact CD1-CD2 3.62Å; I187-L221 HydrophobicContact CG1-CD2 3.77Å; H188-L221 HydrophobicContact CB-CD2 4.47Å; S217-L221 WeakPolarHBondContact OG-CB 3.32Å; S218-L221 PolarHBondContact O-N 3.28Å; P219-L221 VanDerWaalsContact C-N 3.31Å; P219-L221 PolarHBondContact O-N 2.88Å; L221-S223 VanDerWaalsContact C-N 3.34Å; L221-S223 PolarHBondContact O-N 3.41Å; L221-K224 HydrophobicContact CD1-CB 4.11Å; L221-K224 HydrophobicContact CD1-CD 3.93Å; L221-K224 WeakPolarHBondContact O-CB 3.16Å; L221-K224 PolarHBondContact O-N 2.75Å; L221-L225 HydrophobicContact CD2-CD1 4.28Å; L221-L225 HydrophobicContact CG-CD1 4.14Å; L221-L225 HydrophobicContact CG-CG 4.18Å; L221-L225 PolarHBondContact O-N 3.22Å; L221-L416 HydrophobicContact CD1-CD1 4.13Å
222	I	92.6	Very high	92.9	Very high	17 Å²	17	35.9 Å²	35.9	9%	0.087	21%	0.207	C	C	.	.	H	α-helix	trans	-59.2	-40.3	-172.2	-57.4	-59.2	0	0	0	113	I82 P219 K224 L225 N226 L234	I82-I222 HydrophobicContact CG2-CD1 3.65Å; P219-I222 WeakPolarHBondContact O-CG1 2.85Å; P219-I222 PolarHBondContact O-N 2.8Å; I222-K224 VanDerWaalsContact C-N 3.26Å; I222-K224 PolarHBondContact O-N 3.33Å; I222-L225 HydrophobicContact CD1-CD1 4.25Å; I222-L225 PolarHBondContact O-N 3.16Å; I222-N226 WeakPolarHBondContact O-CB 3.4Å; I222-N226 PolarHBondContact O-N 3.42Å; I222-L234 HydrophobicContact CD1-CD1 4.06Å; I222-L234 HydrophobicContact CG2-CD1 4.23Å; I222-L234 HydrophobicContact CG2-CD2 3.97Å
223	S	91.6	Very high	92.8	Very high	81 Å²	81	36.3 Å²	36.3	57%	0.566	21%	0.212	S	C	*	.	H	α-helix	trans	-60.5	-37.8	178	59.4	0	0	0	0	112.3	L221 S227	L221-S223 VanDerWaalsContact C-N 3.34Å; L221-S223 PolarHBondContact O-N 3.41Å; S223-S227 PolarHBondContact O-N 2.89Å; S223-S227 VanDerWaalsContact O-N 3.12Å; S223-S227 PolarHBondContact O-OG 3.25Å
224	K	92.6	Very high	92.6	Very high	49 Å²	49	39.1 Å²	39.1	21%	0.213	23%	0.226	C	C	.	.	H	α-helix	trans	-74	-41.1	178.4	-167	172.3	-177.6	175.7	0	111.6	L221 I222 S227 Y228 L416 M447 N448	L221-K224 HydrophobicContact CD1-CB 4.11Å; L221-K224 HydrophobicContact CD1-CD 3.93Å; L221-K224 WeakPolarHBondContact O-CB 3.16Å; L221-K224 PolarHBondContact O-N 2.75Å; I222-K224 VanDerWaalsContact C-N 3.26Å; I222-K224 PolarHBondContact O-N 3.33Å; K224-S227 WeakPolarHBondContact O-CB 3.48Å; K224-S227 PolarHBondContact O-N 3.37Å; K224-Y228 WeakPolarHBondContact O-CB 3.43Å; K224-Y228 PolarHBondContact O-N 3.05Å; K224-L416 HydrophobicContact CD-CD1 4.21Å; K224-M447 HydrophobicContact CD-SD 3.9Å; K224-M447 HydrophobicContact CG-CG 4.33Å; K224-M447 HydrophobicContact CG-SD 3.87Å; K224-N448 WeakPolarHBondContact CE-OD1 3.49Å; K224-N448 PolarHBondContact NZ-OD1 2.92Å
225	L	93.4	Very high	92.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-45	174.2	-72.9	162.3	0	0	0	111.9	I82 I187 I215 L221 I222 S227 Y228 Y229 M447	I82-L225 HydrophobicContact CD1-CB 4.08Å; I187-L225 HydrophobicContact CD1-CD1 3.71Å; I187-L225 HydrophobicContact CD1-CD2 3.66Å; I187-L225 HydrophobicContact CD1-CG 4.19Å; I215-L225 HydrophobicContact CG2-CD1 4.25Å; I215-L225 HydrophobicContact CG2-CD2 4.34Å; L221-L225 HydrophobicContact CD2-CD1 4.28Å; L221-L225 HydrophobicContact CG-CD1 4.14Å; L221-L225 HydrophobicContact CG-CG 4.18Å; L221-L225 PolarHBondContact O-N 3.22Å; I222-L225 HydrophobicContact CD1-CD1 4.25Å; I222-L225 PolarHBondContact O-N 3.16Å; L225-S227 VanDerWaalsContact C-N 3.27Å; L225-S227 PolarHBondContact O-N 3.38Å; L225-Y228 PolarHBondContact O-N 3.32Å; L225-Y229 HydrophobicContact CD2-CD2 4.38Å; L225-Y229 HydrophobicContact CD2-CE2 4.4Å; L225-Y229 PolarHBondContact O-N 2.65Å; L225-M447 HydrophobicContact CD2-CE 3.53Å; L225-M447 HydrophobicContact CG-CE 4.35Å
226	N	92.6	Very high	92.4	Very high	44 Å²	44	43.7 Å²	43.7	24%	0.235	25%	0.248	C	C	.	.	H	α-helix	trans	-64	-33.8	176.6	-74.7	-16.6	0	0	0	112.2	I222 Y228 G230	I222-N226 WeakPolarHBondContact O-CB 3.4Å; I222-N226 PolarHBondContact O-N 3.42Å; N226-Y228 VanDerWaalsContact C-N 3.26Å; N226-Y228 PolarHBondContact O-N 2.71Å; N226-G230 WeakPolarHBondContact CA-O 3.32Å; N226-G230 CarbonylContact O-C 3.59Å; N226-G230 WeakPolarHBondContact O-CA 3.12Å; N226-G230 PolarHBondContact O-N 3.47Å
227	S	92.5	Very high	92.2	Very high	108 Å²	108	44 Å²	44	76%	0.755	25%	0.25	S	C	*	.	H	α-helix	trans	-68.8	-28.5	174.2	-57.8	0	0	0	0	112.2	S223 K224 L225	S223-S227 PolarHBondContact O-N 2.89Å; S223-S227 VanDerWaalsContact O-N 3.12Å; S223-S227 PolarHBondContact O-OG 3.25Å; K224-S227 WeakPolarHBondContact O-CB 3.48Å; K224-S227 PolarHBondContact O-N 3.37Å; L225-S227 VanDerWaalsContact C-N 3.27Å; L225-S227 PolarHBondContact O-N 3.38Å
228	Y	94.1	Very high	91.8	Very high	32 Å²	32	51.6 Å²	51.6	13%	0.125	28%	0.282	C	S	.	.	H	α-helix	trans	-94.8	-37.1	-172.7	174.1	-109.6	0	0	0	114.2	L198 G199 K202 K224 L225 N226 D445 M447	L198-Y228 HydrophobicContact CB-CE1 4.47Å; L198-Y228 PolarHBondContact O-OH 2.96Å; G199-Y228 WeakPolarHBondContact CA-OH 3.32Å; K202-Y228 VanDerWaalsContact CE-CE1 3.4Å; K202-Y228 VanDerWaalsContact CE-OH 3.26Å; K202-Y228 WeakPolarHBondContact CE-OH 3.44Å; K202-Y228 PolarHBondContact NZ-O 2.95Å; K202-Y228 PolarHBondContact NZ-OH 2.84Å; K224-Y228 WeakPolarHBondContact O-CB 3.43Å; K224-Y228 PolarHBondContact O-N 3.05Å; L225-Y228 PolarHBondContact O-N 3.32Å; N226-Y228 VanDerWaalsContact C-N 3.26Å; N226-Y228 PolarHBondContact O-N 2.71Å; Y228-D445 VanDerWaalsContact CE2-O 3.26Å; Y228-D445 WeakPolarHBondContact CE2-O 3.48Å; Y228-D445 WeakPolarHBondContact CE2-OD2 3.2Å; Y228-D445 PolarHBondContact OH-O 3.23Å; Y228-M447 HydrophobicContact CD1-CB 4.28Å; Y228-M447 HydrophobicContact CD1-CE 3.78Å; Y228-M447 HydrophobicContact CD1-CG 4.32Å; Y228-M447 HydrophobicContact CD2-CB 4.01Å; Y228-M447 HydrophobicContact CD2-CG 4.18Å; Y228-M447 HydrophobicContact CE1-CB 4.32Å; Y228-M447 HydrophobicContact CE1-CE 4.31Å; Y228-M447 HydrophobicContact CE2-CB 4.05Å; Y228-M447 HydrophobicContact CG-CB 4.13Å; Y228-M447 HydrophobicContact CG-CE 4.27Å; Y228-M447 HydrophobicContact CG-CG 3.97Å
229	Y	92.2	Very high	90.9	Very high	34 Å²	34	52.3 Å²	52.3	13%	0.133	29%	0.287	C	S	.	.	H	α-helix	trans	-102.3	-7.4	175.5	-78.7	-79.9	0	0	0	113.6	I80 L198 K202 I215 L225 L232	I80-Y229 HydrophobicContact CD1-CD1 3.98Å; I80-Y229 HydrophobicContact CD1-CE1 4.08Å; L198-Y229 HydrophobicContact CD2-CE2 4.03Å; L198-Y229 PolarHBondContact O-OH 2.69Å; K202-Y229 HydrophobicContact CD-CE1 4.22Å; K202-Y229 VanDerWaalsContact CE-CE1 3.45Å; K202-Y229 HydrophobicContact CG-CD1 4.44Å; K202-Y229 HydrophobicContact CG-CE1 3.71Å; I215-Y229 HydrophobicContact CD1-CD2 4.17Å; I215-Y229 HydrophobicContact CD1-CE2 3.65Å; L225-Y229 HydrophobicContact CD2-CD2 4.38Å; L225-Y229 HydrophobicContact CD2-CE2 4.4Å; L225-Y229 PolarHBondContact O-N 2.65Å; Y229-L232 HydrophobicContact CD1-CD1 4.24Å; Y229-L232 HydrophobicContact CD2-CD1 4.24Å; Y229-L232 HydrophobicContact CG-CD1 3.73Å
230	G	89.6	Confident	89.6	Confident	33 Å²	33	59.5 Å²	59.5	34%	0.34	31%	0.314	S	S	.	.			trans	81.7	-173	-166.4	0	0	0	0	0	112	N226 L232	N226-G230 WeakPolarHBondContact CA-O 3.32Å; N226-G230 CarbonylContact O-C 3.59Å; N226-G230 WeakPolarHBondContact O-CA 3.12Å; N226-G230 PolarHBondContact O-N 3.47Å; G230-L232 PolarHBondContact O-N 2.84Å
231	N	88.4	Confident	88.6	Confident	157 Å²	157	59.2 Å²	59.2	84%	0.84	31%	0.313	S	S	*	.	S	Bend	trans	-71.9	95.3	179.9	-72.5	-29	0	0	0	110.6
232	L	92.4	Very high	87.6	Confident	35 Å²	35	64.2 Å²	64.2	18%	0.183	35%	0.346	C	S	.	.			trans	-90.7	157.4	176.9	-67.4	-175.7	0	0	0	112.4	I80 I82 Y229 G230 L234	I80-L232 HydrophobicContact CB-CD1 4.09Å; I80-L232 HydrophobicContact CB-CD2 4.23Å; I80-L232 HydrophobicContact CD1-CD1 4.48Å; I80-L232 HydrophobicContact CD1-CD2 4.45Å; I80-L232 HydrophobicContact CG2-CD1 3.57Å; I82-L232 HydrophobicContact CD1-CB 3.92Å; I82-L232 HydrophobicContact CD1-CD1 3.94Å; I82-L232 HydrophobicContact CD1-CG 4.47Å; I82-L232 HydrophobicContact CG1-CB 4.17Å; I82-L232 HydrophobicContact CG1-CD1 4.07Å; Y229-L232 HydrophobicContact CD1-CD1 4.24Å; Y229-L232 HydrophobicContact CD2-CD1 4.24Å; Y229-L232 HydrophobicContact CG-CD1 3.73Å; G230-L232 PolarHBondContact O-N 2.84Å; L232-L234 PolarHBondContact O-N 3.43Å
233	P	95.2	Very high	87.1	Confident	30 Å²	30	64.7 Å²	64.7	20%	0.195	35%	0.349	C	S	.	.			trans	-56.2	121.8	169.1	-20	29.5	0	0	0	111.3	K74 N78 I80 I82	K74-P233 HydrophobicContact CD-CB 4.43Å; N78-P233 HydrophobicContact CB-CG 3.7Å; N78-P233 VanDerWaalsContact OD1-CG 3.27Å; N78-P233 WeakPolarHBondContact OD1-CG 3.31Å; I80-P233 WeakPolarHBondContact O-CD 3.41Å; I82-P233 PolarHBondContact N-O 2.83Å
234	L	95.9	Very high	87.1	Confident	60 Å²	60	66.2 Å²	66.2	31%	0.314	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135	-178.4	179.2	64.6	0	0	0	110.8	K74 I82 I222 L232	K74-L234 PolarHBondContact NZ-O 3.23Å; I82-L234 HydrophobicContact CB-CD1 3.99Å; I82-L234 HydrophobicContact CG2-CD1 3.69Å; I82-L234 WeakPolarHBondContact O-CA 3.49Å; I222-L234 HydrophobicContact CD1-CD1 4.06Å; I222-L234 HydrophobicContact CG2-CD1 4.23Å; I222-L234 HydrophobicContact CG2-CD2 3.97Å; L232-L234 PolarHBondContact O-N 3.43Å
235	I	96.6	Very high	87.1	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	116.9	166.6	-61.5	165	0	0	0	106.6	E67 F71 K74 V81 I82 V83 S84	E67-I235 HydrophobicContact CB-CG2 3.8Å; E67-I235 HydrophobicContact CG-CG2 4.01Å; F71-I235 VanDerWaalsContact CA-CD1 3.42Å; F71-I235 HydrophobicContact CB-CD1 3.67Å; F71-I235 HydrophobicContact CD2-CD1 3.59Å; F71-I235 HydrophobicContact CG-CD1 4.11Å; K74-I235 HydrophobicContact CD-CD1 3.85Å; K74-I235 HydrophobicContact CD-CG1 3.5Å; V81-I235 HydrophobicContact CG1-CD1 3.84Å; V81-I235 HydrophobicContact CG1-CG1 4.42Å; I82-I235 PolarHBondContact O-N 3.07Å; V83-I235 HydrophobicContact CG2-CD1 4.42Å; S84-I235 PolarHBondContact N-O 3.5Å
236	E	94.7	Very high	87.1	Confident	96 Å²	96	68.7 Å²	68.7	45%	0.449	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109.1	-177.6	-171.4	-173.4	-156	0	0	109.6	S84 K238	S84-E236 WeakPolarHBondContact O-CA 3.29Å; E236-K238 HydrophobicContact CG-CG 4.44Å; E236-K238 PolarHBondContact O-N 2.95Å; E236-K238 WeakPolarHBondContact OE2-CE 3.49Å; E236-K238 IonicContact OE2-NZ 3.96Å
237	V	92.1	Very high	87.2	Confident	6 Å²	6	70.8 Å²	70.8	4%	0.036	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	109.5	174.2	-171.7	0	0	0	0	108.8	P63 I64 E67 S84 C89	P63-V237 HydrophobicContact CB-CG1 3.62Å; I64-V237 HydrophobicContact CB-CG2 4.34Å; I64-V237 HydrophobicContact CD1-CG2 3.28Å; I64-V237 HydrophobicContact CG1-CG2 4.34Å; E67-V237 HydrophobicContact CG-CG2 4.29Å; S84-V237 PolarHBondContact O-N 2.81Å; C89-V237 HydrophobicContact CB-CG1 3.97Å
238	K	83	Confident	87.1	Confident	160 Å²	160	67.2 Å²	67.2	70%	0.696	34%	0.344	S	S	*	.			trans	-86.2	117.9	178.1	-66.5	177	-178.5	171.7	0	109.8	E236	E236-K238 HydrophobicContact CG-CG 4.44Å; E236-K238 PolarHBondContact O-N 2.95Å; E236-K238 WeakPolarHBondContact OE2-CE 3.49Å; E236-K238 IonicContact OE2-NZ 3.96Å
239	S	71	Confident	86.8	Confident	26 Å²	26	71.6 Å²	71.6	18%	0.182	38%	0.379	C	S	.	.			trans	-117.3	132.4	162.6	-163.9	0	0	0	0	108.7	D86 H241	D86-S239 WeakPolarHBondContact OD2-CB 3.31Å; D86-S239 VanDerWaalsContact OD2-O 3.13Å; S239-H241 PolarHBondContact OG-CD2 3.07Å; S239-H241 PolarHBondContact OG-NE2 3.05Å
240	K	62.3	Low	86.4	Confident	196 Å²	196	77.4 Å²	77.4	85%	0.852	41%	0.408	S	S	*	.			trans	-133.4	105.8	173	-75.1	-168.8	178.5	-174.6	0	108.3
241	H	67.6	Low	85.6	Confident	75 Å²	75	80.2 Å²	80.2	35%	0.347	43%	0.428	S	S	.	.			trans	-115.8	119	169.9	-59.4	-54.8	0	0	0	108	S239 V243 S394	S239-H241 PolarHBondContact OG-CD2 3.07Å; S239-H241 PolarHBondContact OG-NE2 3.05Å; H241-V243 PolarHBondContact O-N 2.84Å; H241-S394 PolarHBondContact CD2-OG 3.42Å; H241-S394 VanDerWaalsContact CE1-CB 3.43Å; H241-S394 WeakPolarHBondContact CE1-CB 3.32Å; H241-S394 PolarHBondContact CE1-OG 3.47Å; H241-S394 VanDerWaalsContact CE1-OG 3.22Å; H241-S394 WeakPolarHBondContact NE2-CB 3.39Å; H241-S394 PolarHBondContact NE2-OG 3.32Å
242	P	69.8	Low	84.7	Confident	108 Å²	108	77.1 Å²	77.1	70%	0.701	41%	0.408	S	S	*	.			trans	-66.1	118.4	175.2	27	-31.2	0	0	0	108.3
243	V	82.6	Confident	83.5	Confident	28 Å²	28	86.2 Å²	86.2	17%	0.17	45%	0.446	C	S	.	.			trans	-107.7	134	174	174	0	0	0	0	107.8	H241 V245 K389 L392 F400	H241-V243 PolarHBondContact O-N 2.84Å; V243-V245 PolarHBondContact O-N 3.06Å; V243-K389 HydrophobicContact CB-CG 4.18Å; V243-K389 HydrophobicContact CG1-CG 4.01Å; V243-K389 HydrophobicContact CG2-CG 4.32Å; V243-L392 HydrophobicContact CG1-CD1 3.47Å; V243-L392 VanDerWaalsContact CG1-CD1 3.47Å; V243-L392 HydrophobicContact CG2-CB 4.39Å; V243-F400 HydrophobicContact CG1-CB 3.91Å
244	E	90.1	Very high	82.4	Confident	113 Å²	113	89.1 Å²	89.1	53%	0.528	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	116.3	171.8	-173.9	-177.5	172.9	0	0	108.7	V246 G398 K399 F400	E244-V246 HydrophobicContact CG-CG2 4.25Å; E244-G398 PolarHBondContact N-O 3.38Å; E244-K399 HydrophobicContact CB-CG 4.38Å; E244-K399 WeakPolarHBondContact O-CA 3.33Å; E244-F400 PolarHBondContact O-N 3.42Å
245	V	92.6	Very high	81.6	Confident	47 Å²	47	88.8 Å²	88.8	29%	0.285	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.7	177.3	-178.2	0	0	0	0	108.7	V243 Y247 K389 F400	V243-V245 PolarHBondContact O-N 3.06Å; V245-Y247 HydrophobicContact CB-CE2 4.34Å; V245-Y247 HydrophobicContact CG1-CD2 3.98Å; V245-Y247 HydrophobicContact CG1-CE1 4.28Å; V245-Y247 HydrophobicContact CG1-CE2 3.4Å; V245-K389 HydrophobicContact CG2-CD 4.07Å; V245-F400 WeakPolarHBondContact CA-O 3.42Å; V245-F400 HydrophobicContact CG1-CD1 4.15Å; V245-F400 HydrophobicContact CG2-CB 4.37Å
246	V	94.7	Very high	81.2	Confident	53 Å²	53	91 Å²	91	32%	0.321	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	113.6	-179.5	-176.5	0	0	0	0	108.6	E244 F400 F401 C402	E244-V246 HydrophobicContact CG-CG2 4.25Å; V246-F400 PolarHBondContact N-O 3.03Å; V246-F401 HydrophobicContact CB-CD1 3.86Å; V246-F401 HydrophobicContact CB-CE1 4.26Å; V246-F401 HydrophobicContact CG1-CD1 4.18Å; V246-F401 HydrophobicContact CG1-CE1 4.49Å; V246-F401 HydrophobicContact CG2-CD1 4.25Å; V246-F401 HydrophobicContact CG2-CE1 4.19Å; V246-C402 PolarHBondContact O-N 3.47Å
247	Y	94.4	Very high	80.8	Confident	88 Å²	88	93 Å²	93	35%	0.345	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	153.6	175	-65	-84.2	0	0	0	111.7	V245 C402 Y404 E406 A409	V245-Y247 HydrophobicContact CB-CE2 4.34Å; V245-Y247 HydrophobicContact CG1-CD2 3.98Å; V245-Y247 HydrophobicContact CG1-CE1 4.28Å; V245-Y247 HydrophobicContact CG1-CE2 3.4Å; Y247-C402 HydrophobicContact CD1-CB 3.46Å; Y247-C402 VanDerWaalsContact CD1-CB 3.46Å; Y247-C402 HydrophobicContact CE1-CB 3.85Å; Y247-C402 WeakPolarHBondContact CE1-SG 3.27Å; Y247-C402 HydrophobicContact CG-CB 4.23Å; Y247-Y404 HydrophobicContact CD1-CD2 4.32Å; Y247-Y404 HydrophobicContact CD1-CE2 4.38Å; Y247-Y404 HydrophobicContact CE1-CD2 4.34Å; Y247-Y404 HydrophobicContact CE1-CE2 4.02Å; Y247-E406 HydrophobicContact CD1-CB 4.32Å; Y247-E406 HydrophobicContact CD2-CB 4.2Å; Y247-E406 HydrophobicContact CE2-CB 4.38Å; Y247-E406 HydrophobicContact CE2-CG 4.34Å; Y247-E406 HydrophobicContact CG-CB 4.17Å; Y247-A409 HydrophobicContact CE1-CB 4.31Å
248	L	90.4	Very high	80.7	Confident	34 Å²	34	92.9 Å²	92.9	18%	0.178	48%	0.481	C	S	.	.			trans	-66.9	140.9	165.2	-72.5	-179.8	0	0	0	110.4	Q252 C402 L403 Y404	L248-Q252 HydrophobicContact CD1-CG 4.26Å; L248-C402 PolarHBondContact N-O 2.93Å; L248-L403 HydrophobicContact CD1-CB 4.25Å; L248-L403 HydrophobicContact CD1-CD2 4.27Å; L248-L403 WeakPolarHBondContact CD1-O 3.32Å; L248-L403 HydrophobicContact CD2-CD2 4.38Å; L248-L403 HydrophobicContact CG-CD2 4.39Å; L248-Y404 PolarHBondContact N-O 3.09Å; L248-Y404 VanDerWaalsContact N-O 3.17Å
249	S	86.8	Confident	81.3	Confident	124 Å²	124	85.4 Å²	85.4	87%	0.867	45%	0.449	S	S	*	.	S	Bend	trans	-70.3	-32.5	175.3	-52	0	0	0	0	112.9
250	E	83.9	Confident	82.3	Confident	156 Å²	156	85.2 Å²	85.2	73%	0.729	45%	0.446	S	S	*	.	S	Bend	trans	-139.1	149.3	-177.3	-66.6	-177.9	-179.7	0	0	110.6	Q252	E250-Q252 PolarHBondContact O-N 3.48Å
251	A	74.3	Confident	83.7	Confident	92 Å²	92	81.3 Å²	81.3	76%	0.76	43%	0.425	S	S	*	.			trans	-65.8	122.8	175.9	0	0	0	0	0	110.3
252	Q	68	Low	85	Confident	91 Å²	91	78.8 Å²	78.8	43%	0.425	42%	0.415	S	S	.	.			trans	-93.5	143.6	175.9	-69	-166.4	7	0	0	111.4	L248 E250 S258	L248-Q252 HydrophobicContact CD1-CG 4.26Å; E250-Q252 PolarHBondContact O-N 3.48Å; Q252-S258 PolarHBondContact NE2-OG 3.44Å; Q252-S258 PolarHBondContact OE1-OG 3.4Å
253	K	67.3	Low	86.2	Confident	227 Å²	227	73.7 Å²	73.7	99%	0.987	38%	0.381	S	S	*	.	S	Bend	trans	-73.5	-27.5	175.6	-85.9	-175.1	174.3	-179.6	0	113.3
254	D	72.8	Confident	86.6	Confident	91 Å²	91	73.7 Å²	73.7	49%	0.487	38%	0.379	S	S	.	.			trans	-129.9	107.8	179.7	-168.7	-4.1	0	0	0	110.1	F256	D254-F256 VanDerWaalsContact C-N 3.27Å; D254-F256 WeakPolarHBondContact OD1-CB 3.07Å; D254-F256 PolarHBondContact OD1-N 2.69Å
255	S	79.5	Confident	86.7	Confident	52 Å²	52	72.8 Å²	72.8	36%	0.364	38%	0.375	S	S	.	.	H	α-helix	trans	-73.6	-21.1	177.6	51.3	0	0	0	0	112.1	S258 I259	S255-S258 PolarHBondContact O-N 3.3Å; S255-I259 WeakPolarHBondContact O-CD1 3.46Å; S255-I259 VanDerWaalsContact O-CG1 3.24Å; S255-I259 WeakPolarHBondContact O-CG1 3.35Å; S255-I259 PolarHBondContact O-N 2.75Å
256	F	86.7	Confident	86.7	Confident	47 Å²	47	71 Å²	71	21%	0.206	36%	0.364	C	S	.	.	H	α-helix	trans	-67.3	-46.4	-170.4	-170	-99.4	0	0	0	113	D254 S258 I259 L260 K287 V288 I291	D254-F256 VanDerWaalsContact C-N 3.27Å; D254-F256 WeakPolarHBondContact OD1-CB 3.07Å; D254-F256 PolarHBondContact OD1-N 2.69Å; F256-S258 VanDerWaalsContact C-N 3.29Å; F256-S258 PolarHBondContact O-N 2.95Å; F256-I259 WeakPolarHBondContact O-CB 3.49Å; F256-I259 PolarHBondContact O-N 2.96Å; F256-L260 HydrophobicContact CD1-CD1 3.95Å; F256-L260 HydrophobicContact CE1-CD1 3.56Å; F256-L260 HydrophobicContact CE1-CG 4.37Å; F256-L260 HydrophobicContact CZ-CD1 4.2Å; F256-L260 PolarHBondContact O-N 2.99Å; F256-K287 HydrophobicContact CE2-CB 3.58Å; F256-K287 HydrophobicContact CE2-CD 4.46Å; F256-K287 HydrophobicContact CZ-CB 3.67Å; F256-V288 HydrophobicContact CD2-CG2 4.01Å; F256-V288 HydrophobicContact CE2-CB 4.44Å; F256-V288 HydrophobicContact CE2-CG2 3.43Å; F256-V288 VanDerWaalsContact CE2-CG2 3.43Å; F256-V288 HydrophobicContact CZ-CG2 4.17Å; F256-I291 HydrophobicContact CE1-CD1 3.52Å; F256-I291 HydrophobicContact CZ-CD1 3.66Å
257	E	87.5	Confident	86.5	Confident	139 Å²	139	69.2 Å²	69.2	65%	0.65	35%	0.352	S	S	*	.	H	α-helix	trans	-61.5	-39.9	175.9	-173.7	179.8	173.5	0	0	111.4	L260 R261	E257-L260 PolarHBondContact O-N 3.25Å; E257-R261 VanDerWaalsContact O-CB 3.28Å; E257-R261 WeakPolarHBondContact O-CB 3.32Å; E257-R261 PolarHBondContact O-N 3.08Å
258	S	90.6	Very high	86.3	Confident	3 Å²	3	72.2 Å²	72.2	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-65.3	-38.1	177.3	-85.4	0	0	0	0	113	Q252 S255 F256 L262	Q252-S258 PolarHBondContact NE2-OG 3.44Å; Q252-S258 PolarHBondContact OE1-OG 3.4Å; S255-S258 PolarHBondContact O-N 3.3Å; F256-S258 VanDerWaalsContact C-N 3.29Å; F256-S258 PolarHBondContact O-N 2.95Å; S258-L262 WeakPolarHBondContact O-CB 3.44Å; S258-L262 WeakPolarHBondContact O-CG 3.46Å; S258-L262 PolarHBondContact O-N 2.88Å
259	I	93.8	Very high	86.2	Confident	3 Å²	3	73.5 Å²	73.5	2%	0.015	38%	0.375	C	S	.	.	H	α-helix	trans	-59.1	-55.1	174	-67.7	158.1	0	0	0	110.1	S255 F256 R261 L262 I263 V277 L279 V288 V358 L403	S255-I259 WeakPolarHBondContact O-CD1 3.46Å; S255-I259 VanDerWaalsContact O-CG1 3.24Å; S255-I259 WeakPolarHBondContact O-CG1 3.35Å; S255-I259 PolarHBondContact O-N 2.75Å; F256-I259 WeakPolarHBondContact O-CB 3.49Å; F256-I259 PolarHBondContact O-N 2.96Å; I259-R261 VanDerWaalsContact C-N 3.33Å; I259-R261 PolarHBondContact O-N 3.35Å; I259-L262 PolarHBondContact O-N 2.92Å; I259-I263 HydrophobicContact CG2-CD1 3.79Å; I259-I263 WeakPolarHBondContact O-CG1 3.07Å; I259-I263 PolarHBondContact O-N 3.5Å; I259-V277 HydrophobicContact CG2-CG1 3.81Å; I259-L279 HydrophobicContact CD1-CD2 3.49Å; I259-L279 VanDerWaalsContact CD1-CD2 3.49Å; I259-L279 HydrophobicContact CG1-CD2 4.42Å; I259-L279 HydrophobicContact CG2-CD2 4.42Å; I259-V288 HydrophobicContact CG2-CG1 4.4Å; I259-V288 HydrophobicContact CG2-CG2 4.27Å; I259-V358 HydrophobicContact CD1-CG1 3.64Å; I259-V358 HydrophobicContact CG1-CG1 4.18Å; I259-L403 HydrophobicContact CB-CD1 4.4Å; I259-L403 HydrophobicContact CD1-CD1 4.31Å; I259-L403 HydrophobicContact CG1-CD1 3.34Å
260	L	93	Very high	86.1	Confident	23 Å²	23	70.2 Å²	70.2	12%	0.12	36%	0.36	C	S	.	.	H	α-helix	trans	-60.3	-45	-178.3	-66.9	173.3	0	0	0	111.3	F256 E257 L262 I263 F264 V288 I291 V292	F256-L260 HydrophobicContact CD1-CD1 3.95Å; F256-L260 HydrophobicContact CE1-CD1 3.56Å; F256-L260 HydrophobicContact CE1-CG 4.37Å; F256-L260 HydrophobicContact CZ-CD1 4.2Å; F256-L260 PolarHBondContact O-N 2.99Å; E257-L260 PolarHBondContact O-N 3.25Å; L260-L262 PolarHBondContact O-N 3Å; L260-I263 PolarHBondContact O-N 3.38Å; L260-F264 HydrophobicContact CB-CE2 4.49Å; L260-F264 WeakPolarHBondContact O-CD2 3.32Å; L260-F264 PolarHBondContact O-N 3.05Å; L260-F264 VanDerWaalsContact O-N 3.09Å; L260-V288 HydrophobicContact CD2-CG1 4.2Å; L260-I291 HydrophobicContact CD1-CB 4.45Å; L260-I291 HydrophobicContact CD1-CD1 3.87Å; L260-I291 HydrophobicContact CD1-CG2 3.89Å; L260-I291 HydrophobicContact CD2-CB 4.12Å; L260-I291 HydrophobicContact CD2-CG2 3.89Å; L260-V292 HydrophobicContact CD2-CG2 3.73Å
261	R	91.7	Very high	86.3	Confident	113 Å²	113	66.7 Å²	66.7	43%	0.426	34%	0.343	S	S	.	.	H	α-helix	trans	-57.3	-49.3	177.4	-176	178.8	67.2	-174.8	0.2	111.3	E257 I259 F264 E265	E257-R261 VanDerWaalsContact O-CB 3.28Å; E257-R261 WeakPolarHBondContact O-CB 3.32Å; E257-R261 PolarHBondContact O-N 3.08Å; I259-R261 VanDerWaalsContact C-N 3.33Å; I259-R261 PolarHBondContact O-N 3.35Å; R261-F264 PolarHBondContact O-N 3.36Å; R261-E265 WeakPolarHBondContact CD-OE1 3.27Å; R261-E265 HydrophobicContact CG-CG 4.23Å; R261-E265 WeakPolarHBondContact CG-OE1 3.31Å; R261-E265 IonicContact NE-OE1 2.79Å; R261-E265 WeakPolarHBondContact O-CB 3.42Å; R261-E265 VanDerWaalsContact O-CG 3.29Å; R261-E265 WeakPolarHBondContact O-CG 3.49Å; R261-E265 PolarHBondContact O-N 3.22Å
262	L	94.3	Very high	86.9	Confident	23 Å²	23	69.1 Å²	69.1	12%	0.12	34%	0.337	C	S	.	.	H	α-helix	trans	-62.9	-43.1	179.2	-77	178.7	0	0	0	112.4	S258 I259 L260 F264 E265 I266 I356 F401 L403	S258-L262 WeakPolarHBondContact O-CB 3.44Å; S258-L262 WeakPolarHBondContact O-CG 3.46Å; S258-L262 PolarHBondContact O-N 2.88Å; I259-L262 PolarHBondContact O-N 2.92Å; L260-L262 PolarHBondContact O-N 3Å; L262-F264 VanDerWaalsContact C-N 3.33Å; L262-F264 PolarHBondContact O-N 2.62Å; L262-E265 PolarHBondContact O-N 2.92Å; L262-I266 WeakPolarHBondContact O-CB 3.42Å; L262-I266 WeakPolarHBondContact O-CD1 3.21Å; L262-I266 WeakPolarHBondContact O-CG1 3.24Å; L262-I266 PolarHBondContact O-N 3.28Å; L262-I356 HydrophobicContact CB-CD1 3.73Å; L262-I356 HydrophobicContact CD1-CD1 4.41Å; L262-I356 HydrophobicContact CD1-CG1 4.44Å; L262-I356 HydrophobicContact CD1-CG2 4.22Å; L262-F401 HydrophobicContact CD1-CB 4.07Å; L262-F401 HydrophobicContact CD1-CG 4.36Å; L262-F401 HydrophobicContact CD2-CD1 4.42Å; L262-L403 HydrophobicContact CD1-CD2 3.57Å; L262-L403 HydrophobicContact CD1-CG 4.42Å
263	I	94.4	Very high	87.9	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-55.7	-50.1	176.9	-68.7	167	0	0	0	110.2	I259 L260 H267 I275 V277 V288 V292 V336 I356	I259-I263 HydrophobicContact CG2-CD1 3.79Å; I259-I263 WeakPolarHBondContact O-CG1 3.07Å; I259-I263 PolarHBondContact O-N 3.5Å; L260-I263 PolarHBondContact O-N 3.38Å; I263-H267 WeakPolarHBondContact O-CB 3.47Å; I263-H267 PolarHBondContact O-N 2.65Å; I263-I275 HydrophobicContact CG2-CD1 4.38Å; I263-V277 HydrophobicContact CD1-CG2 4.04Å; I263-V277 HydrophobicContact CG1-CG2 4.22Å; I263-V288 HydrophobicContact CD1-CG1 4.01Å; I263-V292 HydrophobicContact CD1-CG2 4Å; I263-V292 HydrophobicContact CG2-CG1 4.18Å; I263-V292 HydrophobicContact CG2-CG2 4.36Å; I263-V336 HydrophobicContact CD1-CG1 4.17Å; I263-V336 HydrophobicContact CG1-CG1 4.45Å; I263-V336 HydrophobicContact CG2-CG1 4.35Å; I263-V336 HydrophobicContact CG2-CG2 4.16Å; I263-I356 HydrophobicContact CG1-CD1 3.91Å
264	F	92	Very high	89.1	Confident	29 Å²	29	54.6 Å²	54.6	13%	0.127	28%	0.275	C	S	.	.	H	α-helix	trans	-72	-34.5	-179.1	-68.2	-59.6	0	0	0	113.1	L260 R261 L262 H267 R268 L305	L260-F264 HydrophobicContact CB-CE2 4.49Å; L260-F264 WeakPolarHBondContact O-CD2 3.32Å; L260-F264 PolarHBondContact O-N 3.05Å; L260-F264 VanDerWaalsContact O-N 3.09Å; R261-F264 PolarHBondContact O-N 3.36Å; L262-F264 VanDerWaalsContact C-N 3.33Å; L262-F264 PolarHBondContact O-N 2.62Å; F264-H267 PolarHBondContact O-N 3.25Å; F264-R268 VanDerWaalsContact O-CB 3.29Å; F264-R268 WeakPolarHBondContact O-CB 3.18Å; F264-R268 WeakPolarHBondContact O-CG 3.11Å; F264-R268 PolarHBondContact O-N 3.46Å; F264-L305 HydrophobicContact CD1-CD1 4.31Å; F264-L305 HydrophobicContact CE1-CD1 4.24Å
265	E	92.5	Very high	90.1	Very high	94 Å²	94	50.3 Å²	50.3	44%	0.439	25%	0.251	S	S	.	.	H	α-helix	trans	-65	-46.4	174.5	-78.6	176.2	-178.3	0	0	111.7	R261 L262 H267 R268 S269	R261-E265 WeakPolarHBondContact CD-OE1 3.27Å; R261-E265 HydrophobicContact CG-CG 4.23Å; R261-E265 WeakPolarHBondContact CG-OE1 3.31Å; R261-E265 IonicContact NE-OE1 2.79Å; R261-E265 WeakPolarHBondContact O-CB 3.42Å; R261-E265 VanDerWaalsContact O-CG 3.29Å; R261-E265 WeakPolarHBondContact O-CG 3.49Å; R261-E265 PolarHBondContact O-N 3.22Å; L262-E265 PolarHBondContact O-N 2.92Å; E265-H267 VanDerWaalsContact C-N 3.31Å; E265-H267 PolarHBondContact O-N 3.44Å; E265-R268 PolarHBondContact O-N 2.93Å; E265-S269 PolarHBondContact O-N 3.27Å
266	I	92.7	Very high	90.8	Very high	10 Å²	10	47.8 Å²	47.8	5%	0.051	23%	0.234	C	C	.	.	H	α-helix	trans	-60.3	-44.2	175.5	-67.6	163.7	0	0	0	109.8	L262 S269 I275 R334 F354 I356 F401	L262-I266 WeakPolarHBondContact O-CB 3.42Å; L262-I266 WeakPolarHBondContact O-CD1 3.21Å; L262-I266 WeakPolarHBondContact O-CG1 3.24Å; L262-I266 PolarHBondContact O-N 3.28Å; I266-S269 WeakPolarHBondContact O-CB 3.22Å; I266-S269 PolarHBondContact O-N 3.5Å; I266-S269 PolarHBondContact O-OG 2.54Å; I266-I275 HydrophobicContact CB-CD1 3.94Å; I266-I275 HydrophobicContact CD1-CD1 4.28Å; I266-I275 HydrophobicContact CG2-CD1 3.67Å; I266-I275 HydrophobicContact CG2-CG1 4.08Å; I266-R334 VanDerWaalsContact CG2-NH1 3.26Å; I266-F354 HydrophobicContact CD1-CB 4.04Å; I266-F354 HydrophobicContact CD1-CD1 4.27Å; I266-F354 HydrophobicContact CD1-CG 4.25Å; I266-F354 HydrophobicContact CG1-CD1 4.33Å; I266-F354 HydrophobicContact CG2-CB 4.39Å; I266-F354 HydrophobicContact CG2-CD1 3.87Å; I266-F354 HydrophobicContact CG2-CD2 3.67Å; I266-F354 HydrophobicContact CG2-CE1 4.01Å; I266-F354 HydrophobicContact CG2-CE2 3.84Å; I266-F354 HydrophobicContact CG2-CG 3.68Å; I266-F354 HydrophobicContact CG2-CZ 3.99Å; I266-I356 HydrophobicContact CD1-CD1 4.1Å; I266-I356 HydrophobicContact CD1-CG1 4.42Å; I266-F401 HydrophobicContact CD1-CD2 4.07Å; I266-F401 HydrophobicContact CD1-CE2 3.6Å; I266-F401 HydrophobicContact CD1-CZ 4.35Å; I266-F401 HydrophobicContact CG1-CE2 4.13Å; I266-F401 HydrophobicContact CG1-CZ 4.45Å
267	H	90.1	Very high	91.3	Very high	15 Å²	15	45.6 Å²	45.6	7%	0.069	22%	0.224	C	C	.	.	H	α-helix	trans	-64.6	-44.8	178.2	-176.9	57.7	0	0	0	112.4	I263 F264 E265 S269 G270 L302 G303 L305	I263-H267 WeakPolarHBondContact O-CB 3.47Å; I263-H267 PolarHBondContact O-N 2.65Å; F264-H267 PolarHBondContact O-N 3.25Å; E265-H267 VanDerWaalsContact C-N 3.31Å; E265-H267 PolarHBondContact O-N 3.44Å; H267-S269 VanDerWaalsContact C-N 3.25Å; H267-S269 PolarHBondContact O-N 3.46Å; H267-G270 PolarHBondContact O-N 3.04Å; H267-L302 PolarHBondContact CE1-O 3.37Å; H267-G303 PolarHBondContact NE2-O 3.2Å; H267-L305 HydrophobicContact CB-CD1 4.11Å; H267-L305 HydrophobicContact CB-CD2 4.03Å; H267-L305 HydrophobicContact CB-CG 4.39Å; H267-L305 VanDerWaalsContact CD2-CD1 3.42Å; H267-L305 WeakPolarHBondContact CD2-CD1 3.49Å; H267-L305 WeakPolarHBondContact ND1-CD2 3.34Å
268	R	89.2	Confident	91.7	Very high	150 Å²	150	39 Å²	39	57%	0.566	19%	0.193	S	C	*	.	H	α-helix	trans	-65.6	-24.2	177.3	-72.8	170.9	-166.2	146.9	4	113.8	F264 E265 G270 L302	F264-R268 VanDerWaalsContact O-CB 3.29Å; F264-R268 WeakPolarHBondContact O-CB 3.18Å; F264-R268 WeakPolarHBondContact O-CG 3.11Å; F264-R268 PolarHBondContact O-N 3.46Å; E265-R268 PolarHBondContact O-N 2.93Å; R268-G270 PolarHBondContact O-N 3.19Å; R268-L302 HydrophobicContact CB-CD1 4.35Å; R268-L302 HydrophobicContact CG-CD1 3.85Å
269	S	89	Confident	91.9	Very high	62 Å²	62	38.9 Å²	38.9	43%	0.434	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.5	177.4	77.3	0	0	0	0	113	E265 I266 H267 E271	E265-S269 PolarHBondContact O-N 3.27Å; I266-S269 WeakPolarHBondContact O-CB 3.22Å; I266-S269 PolarHBondContact O-N 3.5Å; I266-S269 PolarHBondContact O-OG 2.54Å; H267-S269 VanDerWaalsContact C-N 3.25Å; H267-S269 PolarHBondContact O-N 3.46Å; S269-E271 PolarHBondContact O-N 3.32Å; S269-E271 PolarHBondContact OG-N 2.9Å
270	G	84	Confident	91.8	Very high	54 Å²	54	39.1 Å²	39.1	56%	0.557	20%	0.195	S	C	*	.			trans	71.3	1.6	-175.5	0	0	0	0	0	114.2	H267 R268	H267-G270 PolarHBondContact O-N 3.04Å; R268-G270 PolarHBondContact O-N 3.19Å
271	E	88	Confident	91.7	Very high	82 Å²	82	38.6 Å²	38.6	38%	0.383	19%	0.193	S	C	.	.			trans	-57.5	146.8	169.6	-67.4	-177.3	-169.5	0	0	108.6	S269 R334 F354 K399	S269-E271 PolarHBondContact O-N 3.32Å; S269-E271 PolarHBondContact OG-N 2.9Å; E271-R334 PolarHBondContact O-NH2 3.42Å; E271-F354 HydrophobicContact CB-CZ 3.82Å; E271-F354 WeakPolarHBondContact OE2-CE1 3.33Å; E271-F354 VanDerWaalsContact OE2-CZ 3.31Å; E271-F354 WeakPolarHBondContact OE2-CZ 3.32Å; E271-K399 IonicContact OE1-NZ 3.29Å; E271-K399 PolarHBondContact OE1-NZ 2.98Å; E271-K399 IonicContact OE2-NZ 2.81Å; E271-K399 PolarHBondContact OE2-NZ 3.27Å; E271-K399 VanDerWaalsContact OE2-NZ 3.11Å
272	K	87.9	Confident	91.4	Very high	143 Å²	143	37.1 Å²	37.1	62%	0.622	19%	0.191	S	C	*	.			trans	-87.5	167.3	174	-67.1	-173.2	177.9	-176.7	0	110.5	Y332 K353 F354	K272-Y332 HydrophobicContact CB-CE2 4.12Å; K272-Y332 HydrophobicContact CD-CD2 4.24Å; K272-Y332 HydrophobicContact CD-CE2 4.05Å; K272-Y332 HydrophobicContact CG-CD2 4.31Å; K272-Y332 HydrophobicContact CG-CE1 4.39Å; K272-Y332 HydrophobicContact CG-CE2 3.93Å; K272-K353 WeakPolarHBondContact O-CD 3.28Å; K272-F354 WeakPolarHBondContact O-CE2 3.46Å
273	G	89.4	Confident	91	Very high	7 Å²	7	40.6 Å²	40.6	7%	0.072	21%	0.207	C	C	.	.	S	Bend	trans	110.6	159.7	-177.3	0	0	0	0	0	113.3	Y332 R334 S351	G273-Y332 WeakPolarHBondContact CA-OH 3.38Å; G273-Y332 PolarHBondContact N-OH 2.87Å; G273-Y332 PolarHBondContact O-OH 2.81Å; G273-R334 PolarHBondContact O-NE 3.44Å; G273-R334 PolarHBondContact O-NH1 3.16Å; G273-S351 CarbonylContact C-O 3.55Å; G273-S351 VanDerWaalsContact CA-O 3.27Å; G273-S351 WeakPolarHBondContact CA-O 3.36Å
274	D	91.4	Very high	90.8	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.037	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	160.4	177.6	-66.9	-29.5	0	0	0	111.6	R335 S351 K353 F354	D274-R335 HydrophobicContact CB-CB 4.26Å; D274-R335 PolarHBondContact OD1-N 3.13Å; D274-R335 IonicContact OD1-NE 3.5Å; D274-R335 IonicContact OD2-CZ 2.71Å; D274-R335 VanDerWaalsContact OD2-CZ 3.27Å; D274-R335 IonicContact OD2-NE 2.69Å; D274-R335 PolarHBondContact OD2-NE 3.1Å; D274-R335 IonicContact OD2-NH2 3.65Å; D274-R335 PolarHBondContact OD2-NH2 3.22Å; D274-S351 PolarHBondContact N-O 2.94Å; D274-S351 VanDerWaalsContact OD2-CB 3.25Å; D274-S351 WeakPolarHBondContact OD2-CB 3.21Å; D274-S351 PolarHBondContact OD2-OG 3.29Å; D274-K353 PolarHBondContact O-N 2.86Å; D274-F354 PolarHBondContact O-N 2.89Å
275	I	94	Very high	90.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.9	177.1	-49.9	-178.6	0	0	0	108.9	I263 I266 V277 R334 R335 V336 V337 F354 I356	I263-I275 HydrophobicContact CG2-CD1 4.38Å; I266-I275 HydrophobicContact CB-CD1 3.94Å; I266-I275 HydrophobicContact CD1-CD1 4.28Å; I266-I275 HydrophobicContact CG2-CD1 3.67Å; I266-I275 HydrophobicContact CG2-CG1 4.08Å; I275-V277 HydrophobicContact CG2-CG2 3.91Å; I275-R334 VanDerWaalsContact CG1-NH1 3.27Å; I275-R335 PolarHBondContact N-O 3.18Å; I275-V336 HydrophobicContact CB-CG1 4.46Å; I275-V336 HydrophobicContact CB-CG2 4.41Å; I275-V336 HydrophobicContact CD1-CG2 4.31Å; I275-V336 CarbonylContact O-C 3.53Å; I275-V336 WeakPolarHBondContact O-CA 3.43Å; I275-V337 PolarHBondContact O-N 3.27Å; I275-F354 CarbonylContact C-O 3.59Å; I275-F354 WeakPolarHBondContact CA-O 3.15Å; I275-F354 HydrophobicContact CG1-CB 4.25Å; I275-F354 HydrophobicContact CG1-CD2 4.36Å; I275-F354 HydrophobicContact CG2-CB 4.44Å; I275-I356 HydrophobicContact CG2-CD1 4.02Å; I275-I356 HydrophobicContact CG2-CG1 4.36Å
276	V	94.9	Very high	90.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.9	164.9	172.4	0	0	0	0	108.3	F278 V337 T339 I347 V352 F354 V355 I356 I391	V276-F278 HydrophobicContact CG1-CD2 4Å; V276-F278 HydrophobicContact CG1-CE2 3.52Å; V276-F278 HydrophobicContact CG1-CZ 3.98Å; V276-V337 CarbonylContact C-O 3.45Å; V276-V337 WeakPolarHBondContact CA-O 3.27Å; V276-V337 HydrophobicContact CG2-CB 4.2Å; V276-T339 HydrophobicContact CG1-CG2 4.24Å; V276-I347 HydrophobicContact CG1-CD1 3.54Å; V276-I347 HydrophobicContact CG2-CD1 4.19Å; V276-I347 HydrophobicContact CG2-CG2 4.05Å; V276-V352 HydrophobicContact CB-CG1 4.3Å; V276-V352 HydrophobicContact CG2-CB 4.39Å; V276-V352 HydrophobicContact CG2-CG1 3.63Å; V276-V352 HydrophobicContact CG2-CG2 3.77Å; V276-F354 PolarHBondContact N-O 3.33Å; V276-V355 HydrophobicContact CB-CG2 4.28Å; V276-V355 CarbonylContact O-C 3.48Å; V276-V355 VanDerWaalsContact O-CA 3.3Å; V276-V355 WeakPolarHBondContact O-CA 3.43Å; V276-I356 PolarHBondContact O-N 3.44Å; V276-I391 HydrophobicContact CG2-CG2 4.43Å
277	V	96.3	Very high	90.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.8	177.6	-169.4	0	0	0	0	108.7	I259 I263 I275 L279 V336 V337 L338 T339 I356	I259-V277 HydrophobicContact CG2-CG1 3.81Å; I263-V277 HydrophobicContact CD1-CG2 4.04Å; I263-V277 HydrophobicContact CG1-CG2 4.22Å; I275-V277 HydrophobicContact CG2-CG2 3.91Å; V277-L279 HydrophobicContact CG1-CD2 3.7Å; V277-L279 HydrophobicContact CG1-CG 3.97Å; V277-V336 HydrophobicContact CG2-CG1 4.18Å; V277-V337 PolarHBondContact N-O 3.02Å; V277-L338 HydrophobicContact CB-CD2 3.78Å; V277-L338 HydrophobicContact CG1-CD2 4.48Å; V277-L338 HydrophobicContact CG2-CD2 3.82Å; V277-T339 PolarHBondContact O-N 3.38Å; V277-I356 WeakPolarHBondContact CA-O 3.24Å; V277-I356 HydrophobicContact CG1-CB 4.2Å; V277-I356 HydrophobicContact CG1-CG2 4.31Å; V277-I356 HydrophobicContact CG2-CB 4.37Å; V277-I356 HydrophobicContact CG2-CD1 4.25Å
278	F	95.9	Very high	90.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	112.7	170.5	-73.2	-81.8	0	0	0	109.5	V276 T339 E344 I347 V355 I356 V358 R388 I391	V276-F278 HydrophobicContact CG1-CD2 4Å; V276-F278 HydrophobicContact CG1-CE2 3.52Å; V276-F278 HydrophobicContact CG1-CZ 3.98Å; F278-T339 CarbonylContact C-O 3.49Å; F278-T339 WeakPolarHBondContact CA-O 3.36Å; F278-T339 HydrophobicContact CD1-CG2 3.6Å; F278-T339 HydrophobicContact CE1-CG2 3.45Å; F278-T339 VanDerWaalsContact CE1-CG2 3.45Å; F278-T339 HydrophobicContact CG-CG2 4.24Å; F278-T339 HydrophobicContact CZ-CG2 3.99Å; F278-E344 HydrophobicContact CD1-CG 4.34Å; F278-E344 HydrophobicContact CE1-CB 4.47Å; F278-E344 HydrophobicContact CE1-CG 3.6Å; F278-E344 HydrophobicContact CZ-CG 4.15Å; F278-I347 HydrophobicContact CZ-CD1 3.97Å; F278-V355 HydrophobicContact CD2-CG1 3.84Å; F278-V355 HydrophobicContact CE2-CG1 3.94Å; F278-I356 PolarHBondContact N-O 3.47Å; F278-V358 WeakPolarHBondContact O-CG1 3.47Å; F278-V358 VanDerWaalsContact O-CG2 3.27Å; F278-V358 WeakPolarHBondContact O-CG2 3.33Å; F278-V358 PolarHBondContact O-N 3.05Å; F278-R388 HydrophobicContact CD1-CG 4.23Å; F278-R388 HydrophobicContact CD2-CB 4.14Å; F278-R388 HydrophobicContact CD2-CG 3.83Å; F278-R388 HydrophobicContact CE1-CG 4.1Å; F278-R388 HydrophobicContact CE2-CB 3.89Å; F278-R388 HydrophobicContact CE2-CG 3.68Å; F278-R388 HydrophobicContact CG-CG 4.12Å; F278-R388 HydrophobicContact CZ-CB 4.42Å; F278-R388 HydrophobicContact CZ-CG 3.84Å; F278-I391 HydrophobicContact CE2-CD1 3.61Å; F278-I391 HydrophobicContact CZ-CD1 3.33Å
279	L	95.2	Very high	90.2	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.205	C	C	.	.			trans	-104.2	163.8	179.8	-61.9	173.7	0	0	0	110.6	I259 V277 D284 I285 V288 L338 T339 V358	I259-L279 HydrophobicContact CD1-CD2 3.49Å; I259-L279 VanDerWaalsContact CD1-CD2 3.49Å; I259-L279 HydrophobicContact CG1-CD2 4.42Å; I259-L279 HydrophobicContact CG2-CD2 4.42Å; V277-L279 HydrophobicContact CG1-CD2 3.7Å; V277-L279 HydrophobicContact CG1-CG 3.97Å; L279-D284 HydrophobicContact CB-CB 4.14Å; L279-D284 HydrophobicContact CD1-CB 4.38Å; L279-I285 HydrophobicContact CB-CG1 4.41Å; L279-I285 HydrophobicContact CD1-CB 4.28Å; L279-I285 HydrophobicContact CD1-CG1 3.82Å; L279-V288 HydrophobicContact CD1-CB 4.22Å; L279-V288 HydrophobicContact CD1-CG2 3.95Å; L279-V288 HydrophobicContact CD2-CG2 4.19Å; L279-L338 HydrophobicContact CD1-CB 4.37Å; L279-L338 HydrophobicContact CD1-CD2 4.49Å; L279-T339 PolarHBondContact N-O 2.96Å; L279-V358 HydrophobicContact CD2-CG1 4.31Å
280	A	92.7	Very high	90.1	Very high	8 Å²	8	40.8 Å²	40.8	7%	0.066	21%	0.205	C	C	.	.	S	Bend	trans	-75.9	-34.9	-174.1	0	0	0	0	0	113	V358 V360 R362 M377	A280-V358 HydrophobicContact CB-CG2 4.44Å; A280-V360 HydrophobicContact CB-CG2 4.15Å; A280-R362 WeakPolarHBondContact O-CB 3.45Å; A280-R362 PolarHBondContact O-N 3.35Å; A280-M377 HydrophobicContact CB-CE 3.62Å; A280-M377 HydrophobicContact CB-SD 4.05Å
281	C	89.9	Confident	90.2	Very high	11 Å²	11	41.3 Å²	41.3	7%	0.074	19%	0.194	C	C	.	.	S	Bend	trans	-153	168.6	-177.8	66.7	0	0	0	0	112.8	Q283 D284 I285 R362	C281-Q283 VanDerWaalsContact C-N 3.27Å; C281-Q283 PolarHBondContact O-N 3.27Å; C281-Q283 PolarHBondContact SG-OE1 2.98Å; C281-D284 PolarHBondContact O-N 3.03Å; C281-D284 VanDerWaalsContact O-N 3.1Å; C281-D284 PolarHBondContact SG-OD2 3.43Å; C281-I285 PolarHBondContact O-N 3.28Å; C281-R362 HydrophobicContact CB-CB 3.79Å
282	E	86.3	Confident	90.2	Very high	82 Å²	82	37.4 Å²	37.4	38%	0.383	18%	0.176	S	C	.	.	H	α-helix	trans	-61.3	-33.1	178.4	-65.1	178.3	170.4	0	0	112.5	D284 I285 E286 Y311	E282-D284 PolarHBondContact O-N 3.34Å; E282-I285 WeakPolarHBondContact O-CB 3.4Å; E282-I285 PolarHBondContact O-N 3.03Å; E282-I285 VanDerWaalsContact O-N 3.12Å; E282-E286 PolarHBondContact O-N 3.27Å; E282-Y311 HydrophobicContact CB-CE1 4.08Å; E282-Y311 HydrophobicContact CG-CD1 4.02Å; E282-Y311 HydrophobicContact CG-CE1 4.06Å
283	Q	85.4	Confident	90	Very high	97 Å²	97	37.3 Å²	37.3	45%	0.453	17%	0.173	S	C	.	.	H	α-helix	trans	-63.9	-30.3	176.3	-64.6	90.3	23.3	0	0	112.5	C281 K287	C281-Q283 VanDerWaalsContact C-N 3.27Å; C281-Q283 PolarHBondContact O-N 3.27Å; C281-Q283 PolarHBondContact SG-OE1 2.98Å; Q283-K287 WeakPolarHBondContact O-CG 3.44Å; Q283-K287 PolarHBondContact O-N 3.36Å
284	D	90.1	Very high	89.6	Confident	39 Å²	39	44 Å²	44	21%	0.209	20%	0.202	C	C	.	.	H	α-helix	trans	-75.8	-32.4	176.6	-60.3	-31.5	0	0	0	110.9	L279 C281 E282 K287 V288	L279-D284 HydrophobicContact CB-CB 4.14Å; L279-D284 HydrophobicContact CD1-CB 4.38Å; C281-D284 PolarHBondContact O-N 3.03Å; C281-D284 VanDerWaalsContact O-N 3.1Å; C281-D284 PolarHBondContact SG-OD2 3.43Å; E282-D284 PolarHBondContact O-N 3.34Å; D284-K287 PolarHBondContact O-N 3.44Å; D284-V288 WeakPolarHBondContact O-CG2 3.28Å; D284-V288 PolarHBondContact O-N 3.2Å
285	I	90.3	Very high	88.7	Confident	0 Å²	0	44 Å²	44	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.9	-52.1	172.9	-65.7	173.1	0	0	0	109.7	L279 C281 E282 K287 V288 Y289 P309 Y311 L338 T340	L279-I285 HydrophobicContact CB-CG1 4.41Å; L279-I285 HydrophobicContact CD1-CB 4.28Å; L279-I285 HydrophobicContact CD1-CG1 3.82Å; C281-I285 PolarHBondContact O-N 3.28Å; E282-I285 WeakPolarHBondContact O-CB 3.4Å; E282-I285 PolarHBondContact O-N 3.03Å; E282-I285 VanDerWaalsContact O-N 3.12Å; I285-K287 PolarHBondContact O-N 2.84Å; I285-V288 PolarHBondContact O-N 3.33Å; I285-Y289 VanDerWaalsContact O-CB 3.25Å; I285-Y289 WeakPolarHBondContact O-CB 3.3Å; I285-Y289 PolarHBondContact O-N 3.37Å; I285-P309 HydrophobicContact CG2-CB 3.7Å; I285-Y311 HydrophobicContact CB-CE1 4.06Å; I285-Y311 HydrophobicContact CD1-CD1 4.07Å; I285-Y311 HydrophobicContact CD1-CE1 3.66Å; I285-Y311 HydrophobicContact CG1-CE1 4.44Å; I285-Y311 HydrophobicContact CG2-CE1 3.9Å; I285-Y311 VanDerWaalsContact CG2-OH 3.23Å; I285-Y311 WeakPolarHBondContact CG2-OH 3.38Å; I285-L338 HydrophobicContact CG1-CB 4.42Å; I285-L338 HydrophobicContact CG2-CB 3.85Å; I285-L338 HydrophobicContact CG2-CD1 4.31Å; I285-T340 HydrophobicContact CD1-CG2 3.99Å
286	E	86.6	Confident	87.6	Confident	57 Å²	57	44.9 Å²	44.9	27%	0.266	21%	0.21	S	C	.	.	H	α-helix	trans	-60.2	-45.7	-177.9	-65.9	-62.4	173.6	0	0	112.3	E282 V288 Y289 E290 Y311	E282-E286 PolarHBondContact O-N 3.27Å; E286-V288 PolarHBondContact O-N 3.14Å; E286-Y289 WeakPolarHBondContact O-CB 3.22Å; E286-Y289 PolarHBondContact O-N 3.47Å; E286-E290 WeakPolarHBondContact O-CG 3.41Å; E286-E290 PolarHBondContact O-N 3.47Å; E286-Y311 WeakPolarHBondContact CG-OH 3.47Å; E286-Y311 PolarHBondContact OE1-OH 2.95Å
287	K	88	Confident	86.2	Confident	108 Å²	108	51.8 Å²	51.8	47%	0.47	25%	0.247	S	C	.	.	H	α-helix	trans	-61.4	-44	178.5	-68.9	172.7	-172.6	169.2	0	112.4	F256 Q283 D284 I285 I291	F256-K287 HydrophobicContact CE2-CB 3.58Å; F256-K287 HydrophobicContact CE2-CD 4.46Å; F256-K287 HydrophobicContact CZ-CB 3.67Å; Q283-K287 WeakPolarHBondContact O-CG 3.44Å; Q283-K287 PolarHBondContact O-N 3.36Å; D284-K287 PolarHBondContact O-N 3.44Å; I285-K287 PolarHBondContact O-N 2.84Å; K287-I291 WeakPolarHBondContact O-CG1 3.41Å; K287-I291 PolarHBondContact O-N 3.31Å
288	V	90.6	Very high	84.7	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.6	-41.1	177.1	176.3	0	0	0	0	109.9	F256 I259 L260 I263 L279 D284 I285 E286 I291 V292 L338	F256-V288 HydrophobicContact CD2-CG2 4.01Å; F256-V288 HydrophobicContact CE2-CB 4.44Å; F256-V288 HydrophobicContact CE2-CG2 3.43Å; F256-V288 VanDerWaalsContact CE2-CG2 3.43Å; F256-V288 HydrophobicContact CZ-CG2 4.17Å; I259-V288 HydrophobicContact CG2-CG1 4.4Å; I259-V288 HydrophobicContact CG2-CG2 4.27Å; L260-V288 HydrophobicContact CD2-CG1 4.2Å; I263-V288 HydrophobicContact CD1-CG1 4.01Å; L279-V288 HydrophobicContact CD1-CB 4.22Å; L279-V288 HydrophobicContact CD1-CG2 3.95Å; L279-V288 HydrophobicContact CD2-CG2 4.19Å; D284-V288 WeakPolarHBondContact O-CG2 3.28Å; D284-V288 PolarHBondContact O-N 3.2Å; I285-V288 PolarHBondContact O-N 3.33Å; E286-V288 PolarHBondContact O-N 3.14Å; V288-I291 PolarHBondContact O-N 3.04Å; V288-V292 HydrophobicContact CG1-CG2 3.82Å; V288-V292 WeakPolarHBondContact O-CB 3.32Å; V288-V292 VanDerWaalsContact O-CG2 3.25Å; V288-V292 WeakPolarHBondContact O-CG2 3.45Å; V288-V292 PolarHBondContact O-N 3.41Å; V288-L338 HydrophobicContact CB-CD1 4Å; V288-L338 HydrophobicContact CB-CD2 4.48Å; V288-L338 HydrophobicContact CG1-CD1 3.81Å; V288-L338 HydrophobicContact CG1-CD2 3.71Å; V288-L338 HydrophobicContact CG1-CG 4.43Å
289	Y	89.3	Confident	83.3	Confident	67 Å²	67	61 Å²	61	26%	0.263	30%	0.296	S	S	.	.	H	α-helix	trans	-56.4	-53.1	178.9	177.8	-92.6	0	0	0	111.5	I285 E286 I291 V292 Y293 V307 P309	I285-Y289 VanDerWaalsContact O-CB 3.25Å; I285-Y289 WeakPolarHBondContact O-CB 3.3Å; I285-Y289 PolarHBondContact O-N 3.37Å; E286-Y289 WeakPolarHBondContact O-CB 3.22Å; E286-Y289 PolarHBondContact O-N 3.47Å; Y289-I291 VanDerWaalsContact C-N 3.33Å; Y289-I291 PolarHBondContact O-N 2.97Å; Y289-V292 PolarHBondContact O-N 3.35Å; Y289-Y293 WeakPolarHBondContact O-CB 3.42Å; Y289-Y293 PolarHBondContact O-N 3.31Å; Y289-V307 HydrophobicContact CD2-CB 3.93Å; Y289-V307 HydrophobicContact CD2-CG1 3.59Å; Y289-V307 HydrophobicContact CE2-CB 4.03Å; Y289-V307 HydrophobicContact CE2-CG1 4.2Å; Y289-V307 HydrophobicContact CG-CG1 4.46Å; Y289-P309 HydrophobicContact CD2-CB 4.48Å; Y289-P309 HydrophobicContact CD2-CG 4.06Å; Y289-P309 HydrophobicContact CE2-CG 4.14Å
290	E	85.8	Confident	82	Confident	93 Å²	93	66.3 Å²	66.3	44%	0.435	33%	0.33	S	S	.	.	H	α-helix	trans	-55.8	-45.8	-179	-73.5	-179.5	170.7	0	0	112.4	E286 Q294	E286-E290 WeakPolarHBondContact O-CG 3.41Å; E286-E290 PolarHBondContact O-N 3.47Å; E290-Q294 VanDerWaalsContact O-CG 3.26Å; E290-Q294 WeakPolarHBondContact O-CG 3.29Å; E290-Q294 PolarHBondContact O-N 3.17Å
291	I	87.3	Confident	80.8	Confident	64 Å²	64	73.1 Å²	73.1	33%	0.328	37%	0.365	S	S	.	.	H	α-helix	trans	-73.7	-43.6	-175.8	-62.8	173.4	0	0	0	111.4	F256 L260 K287 V288 Y289 Y293 Q294 G295	F256-I291 HydrophobicContact CE1-CD1 3.52Å; F256-I291 HydrophobicContact CZ-CD1 3.66Å; L260-I291 HydrophobicContact CD1-CB 4.45Å; L260-I291 HydrophobicContact CD1-CD1 3.87Å; L260-I291 HydrophobicContact CD1-CG2 3.89Å; L260-I291 HydrophobicContact CD2-CB 4.12Å; L260-I291 HydrophobicContact CD2-CG2 3.89Å; K287-I291 WeakPolarHBondContact O-CG1 3.41Å; K287-I291 PolarHBondContact O-N 3.31Å; V288-I291 PolarHBondContact O-N 3.04Å; Y289-I291 VanDerWaalsContact C-N 3.33Å; Y289-I291 PolarHBondContact O-N 2.97Å; I291-Y293 VanDerWaalsContact C-N 3.31Å; I291-Q294 PolarHBondContact O-N 3.07Å; I291-G295 PolarHBondContact O-N 3.11Å
292	V	86.9	Confident	79.9	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-68.7	-35.8	179.2	-177	0	0	0	0	110.3	L260 I263 V288 Y289 G295 S296 V307	L260-V292 HydrophobicContact CD2-CG2 3.73Å; I263-V292 HydrophobicContact CD1-CG2 4Å; I263-V292 HydrophobicContact CG2-CG1 4.18Å; I263-V292 HydrophobicContact CG2-CG2 4.36Å; V288-V292 HydrophobicContact CG1-CG2 3.82Å; V288-V292 WeakPolarHBondContact O-CB 3.32Å; V288-V292 VanDerWaalsContact O-CG2 3.25Å; V288-V292 WeakPolarHBondContact O-CG2 3.45Å; V288-V292 PolarHBondContact O-N 3.41Å; Y289-V292 PolarHBondContact O-N 3.35Å; V292-G295 CarbonylContact O-C 3.54Å; V292-G295 PolarHBondContact O-N 2.95Å; V292-G295 VanDerWaalsContact O-N 3.16Å; V292-S296 PolarHBondContact O-N 3.38Å; V292-V307 HydrophobicContact CB-CG2 3.77Å; V292-V307 HydrophobicContact CG1-CG2 3.35Å
293	Y	83.9	Confident	79.4	Confident	142 Å²	142	71.5 Å²	71.5	56%	0.557	36%	0.361	S	S	*	.	H	α-helix	trans	-63.8	-41.5	174.1	-173.8	-95.3	0	0	0	112.1	Y289 I291 G295 S296	Y289-Y293 WeakPolarHBondContact O-CB 3.42Å; Y289-Y293 PolarHBondContact O-N 3.31Å; I291-Y293 VanDerWaalsContact C-N 3.31Å; Y293-G295 VanDerWaalsContact C-N 3.28Å; Y293-G295 PolarHBondContact O-N 3.24Å; Y293-S296 PolarHBondContact O-N 3.02Å; Y293-S296 PolarHBondContact O-OG 3.24Å
294	Q	81.3	Confident	79.3	Confident	146 Å²	146	71.1 Å²	71.1	68%	0.682	36%	0.359	S	S	*	.	H	α-helix	trans	-65.5	-32.3	172.4	-72.3	172.9	14.6	0	0	112.5	E290 I291	E290-Q294 VanDerWaalsContact O-CG 3.26Å; E290-Q294 WeakPolarHBondContact O-CG 3.29Å; E290-Q294 PolarHBondContact O-N 3.17Å; I291-Q294 PolarHBondContact O-N 3.07Å
295	G	73	Confident	79.1	Confident	9 Å²	9	69.5 Å²	69.5	9%	0.093	35%	0.35	C	S	.	.	H	α-helix	trans	-82.9	-6.7	179.8	0	0	0	0	0	115.7	I291 V292 Y293 N297 L298	I291-G295 PolarHBondContact O-N 3.11Å; V292-G295 CarbonylContact O-C 3.54Å; V292-G295 PolarHBondContact O-N 2.95Å; V292-G295 VanDerWaalsContact O-N 3.16Å; Y293-G295 VanDerWaalsContact C-N 3.28Å; Y293-G295 PolarHBondContact O-N 3.24Å; G295-N297 VanDerWaalsContact C-N 3.26Å; G295-N297 PolarHBondContact O-N 2.92Å; G295-L298 WeakPolarHBondContact O-CD1 3.44Å; G295-L298 WeakPolarHBondContact O-CG 3.26Å; G295-L298 PolarHBondContact O-N 3.48Å
296	S	70.4	Confident	79	Confident	18 Å²	18	71.7 Å²	71.7	13%	0.126	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-22.6	-172.3	65.7	0	0	0	0	114	V292 Y293 L305	V292-S296 PolarHBondContact O-N 3.38Å; Y293-S296 PolarHBondContact O-N 3.02Å; Y293-S296 PolarHBondContact O-OG 3.24Å; S296-L305 WeakPolarHBondContact CB-O 3.23Å
297	N	65.9	Low	79.1	Confident	144 Å²	144	69.7 Å²	69.7	77%	0.77	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	10.6	-177.3	-70.9	-33.3	0	0	0	114.6	G295 N299	G295-N297 VanDerWaalsContact C-N 3.26Å; G295-N297 PolarHBondContact O-N 2.92Å; N297-N299 PolarHBondContact O-N 3.47Å
298	L	64.3	Low	79	Confident	130 Å²	130	65.2 Å²	65.2	68%	0.681	34%	0.337	S	S	*	.	S	Bend	trans	-73.7	-21	-168.9	-71.7	171.4	0	0	0	114.6	G295	G295-L298 WeakPolarHBondContact O-CD1 3.44Å; G295-L298 WeakPolarHBondContact O-CG 3.26Å; G295-L298 PolarHBondContact O-N 3.48Å
299	N	66.9	Low	78.8	Confident	65 Å²	65	66.5 Å²	66.5	35%	0.348	35%	0.345	S	S	.	.			trans	-152.3	110	177.3	-168.2	-15.7	0	0	0	112.9	N297 D301 L302	N297-N299 PolarHBondContact O-N 3.47Å; N299-D301 PolarHBondContact O-N 3.31Å; N299-D301 WeakPolarHBondContact OD1-CB 3.33Å; N299-D301 PolarHBondContact OD1-N 3.18Å; N299-L302 HydrophobicContact CB-CD1 3.98Å; N299-L302 HydrophobicContact CB-CG 4.31Å; N299-L302 PolarHBondContact O-N 3.04Å
300	P	66.6	Low	78.5	Confident	113 Å²	113	63.5 Å²	63.5	73%	0.734	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-65.4	-19.2	-178.8	25.5	-32.3	0	0	0	114
301	D	69.1	Low	78	Confident	150 Å²	150	60.1 Å²	60.1	80%	0.802	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-79.7	-17.5	-177.7	-63.4	-27.7	0	0	0	113.5	N299	N299-D301 PolarHBondContact O-N 3.31Å; N299-D301 WeakPolarHBondContact OD1-CB 3.33Å; N299-D301 PolarHBondContact OD1-N 3.18Å
302	L	69.8	Low	76.5	Confident	49 Å²	49	58.7 Å²	58.7	26%	0.257	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-93.5	-7.3	-176.4	-70.4	173.4	0	0	0	114	H267 R268 N299	H267-L302 PolarHBondContact CE1-O 3.37Å; R268-L302 HydrophobicContact CB-CD1 4.35Å; R268-L302 HydrophobicContact CG-CD1 3.85Å; N299-L302 HydrophobicContact CB-CD1 3.98Å; N299-L302 HydrophobicContact CB-CG 4.31Å; N299-L302 PolarHBondContact O-N 3.04Å
303	G	75.8	Confident	74.9	Confident	10 Å²	10	66.6 Å²	66.6	10%	0.103	35%	0.346	C	S	.	.			trans	85.5	179.1	-172.8	0	0	0	0	0	113.7	H267 V331 Y332	H267-G303 PolarHBondContact NE2-O 3.2Å; G303-V331 VanDerWaalsContact CA-CG1 3.43Å; G303-Y332 WeakPolarHBondContact CA-O 3.11Å
304	E	83.6	Confident	73.4	Confident	89 Å²	89	65 Å²	65	42%	0.416	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	137.6	-172.7	-173.3	-178.5	179.7	0	0	111.4	V306 Y332 Q333 R334	E304-V306 HydrophobicContact CG-CG2 4.19Å; E304-Y332 PolarHBondContact N-O 3.37Å; E304-Q333 HydrophobicContact CB-CG 4.16Å; E304-Q333 WeakPolarHBondContact O-CA 3.28Å; E304-Q333 PolarHBondContact OE2-NE2 3.35Å; E304-R334 PolarHBondContact O-N 2.94Å
305	L	86.5	Confident	71.8	Confident	6 Å²	6	65.7 Å²	65.7	3%	0.031	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	114.9	168.5	-80.6	170.5	0	0	0	110.3	F264 H267 S296 R334 V336	F264-L305 HydrophobicContact CD1-CD1 4.31Å; F264-L305 HydrophobicContact CE1-CD1 4.24Å; H267-L305 HydrophobicContact CB-CD1 4.11Å; H267-L305 HydrophobicContact CB-CD2 4.03Å; H267-L305 HydrophobicContact CB-CG 4.39Å; H267-L305 VanDerWaalsContact CD2-CD1 3.42Å; H267-L305 WeakPolarHBondContact CD2-CD1 3.49Å; H267-L305 WeakPolarHBondContact ND1-CD2 3.34Å; S296-L305 WeakPolarHBondContact CB-O 3.23Å; L305-R334 HydrophobicContact CD2-CB 4.15Å; L305-R334 HydrophobicContact CD2-CG 4.07Å; L305-V336 HydrophobicContact CD2-CG2 3.73Å
306	V	87.6	Confident	70.4	Confident	46 Å²	46	66.8 Å²	66.8	28%	0.279	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	107.9	176.7	-176.9	0	0	0	0	108.8	E304 V308 Q333 R334 R335 V336	E304-V306 HydrophobicContact CG-CG2 4.19Å; V306-V308 HydrophobicContact CG1-CG2 4.23Å; V306-Q333 HydrophobicContact CG2-CB 4.44Å; V306-R334 PolarHBondContact N-O 3.36Å; V306-R335 HydrophobicContact CB-CG 4.39Å; V306-R335 CarbonylContact O-C 3.5Å; V306-R335 VanDerWaalsContact O-CA 3.26Å; V306-R335 WeakPolarHBondContact O-CA 3.41Å; V306-V336 PolarHBondContact O-N 3.03Å
307	V	87.8	Confident	68.9	Low	15 Å²	15	70 Å²	70	9%	0.091	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	131.7	179.3	-163.2	0	0	0	0	109.7	Y289 V292 V336 L338	Y289-V307 HydrophobicContact CD2-CB 3.93Å; Y289-V307 HydrophobicContact CD2-CG1 3.59Å; Y289-V307 HydrophobicContact CE2-CB 4.03Å; Y289-V307 HydrophobicContact CE2-CG1 4.2Å; Y289-V307 HydrophobicContact CG-CG1 4.46Å; V292-V307 HydrophobicContact CB-CG2 3.77Å; V292-V307 HydrophobicContact CG1-CG2 3.35Å; V307-V336 HydrophobicContact CG1-CB 4.5Å; V307-L338 HydrophobicContact CG1-CD1 3.6Å; V307-L338 HydrophobicContact CG1-CG 3.99Å
308	V	86.8	Confident	67.9	Low	14 Å²	14	68 Å²	68	9%	0.085	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	101.7	-175.6	-177.1	0	0	0	0	108.6	V306 L318 V336 V337 L338	V306-V308 HydrophobicContact CG1-CG2 4.23Å; V308-L318 HydrophobicContact CG1-CB 4.15Å; V308-L318 HydrophobicContact CG1-CD1 3.93Å; V308-V336 PolarHBondContact N-O 3.39Å; V308-V337 HydrophobicContact CB-CG2 4.47Å; V308-V337 CarbonylContact O-C 3.55Å; V308-V337 VanDerWaalsContact O-CA 3.32Å; V308-V337 WeakPolarHBondContact O-CA 3.41Å; V308-L338 PolarHBondContact O-N 3.49Å
309	P	85.7	Confident	66.8	Low	27 Å²	27	64.1 Å²	64.1	18%	0.175	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.5	169.9	30.7	-31.3	0	0	0	108.9	I285 Y289 Y311	I285-P309 HydrophobicContact CG2-CB 3.7Å; Y289-P309 HydrophobicContact CD2-CB 4.48Å; Y289-P309 HydrophobicContact CD2-CG 4.06Å; Y289-P309 HydrophobicContact CE2-CG 4.14Å; P309-Y311 HydrophobicContact CB-CD2 4.29Å; P309-Y311 HydrophobicContact CB-CE2 3.66Å; P309-Y311 HydrophobicContact CG-CE2 4.23Å
310	L	83.6	Confident	65.4	Low	3 Å²	3	68.9 Å²	68.9	2%	0.016	36%	0.357	C	S	.	.			trans	-113.4	96.6	178.9	-177.8	62.4	0	0	0	109.2	F319 V337 L338 L346 I347	L310-F319 HydrophobicContact CD1-CE2 3.99Å; L310-F319 HydrophobicContact CD2-CE2 4.16Å; L310-V337 HydrophobicContact CB-CG1 3.97Å; L310-V337 HydrophobicContact CD2-CG1 4.09Å; L310-L338 PolarHBondContact N-O 3.07Å; L310-L346 HydrophobicContact CD2-CB 4.1Å; L310-I347 HydrophobicContact CD2-CD1 4.32Å; L310-I347 HydrophobicContact CD2-CG1 3.81Å
311	Y	74.6	Confident	64	Low	22 Å²	22	68.9 Å²	68.9	9%	0.086	36%	0.358	C	S	.	.			trans	-97.5	134.8	173.2	-58.2	-66.2	0	0	0	110.6	Q121 E282 I285 E286 P309 K313 E314	Q121-Y311 PolarHBondContact NE2-O 3.04Å; E282-Y311 HydrophobicContact CB-CE1 4.08Å; E282-Y311 HydrophobicContact CG-CD1 4.02Å; E282-Y311 HydrophobicContact CG-CE1 4.06Å; I285-Y311 HydrophobicContact CB-CE1 4.06Å; I285-Y311 HydrophobicContact CD1-CD1 4.07Å; I285-Y311 HydrophobicContact CD1-CE1 3.66Å; I285-Y311 HydrophobicContact CG1-CE1 4.44Å; I285-Y311 HydrophobicContact CG2-CE1 3.9Å; I285-Y311 VanDerWaalsContact CG2-OH 3.23Å; I285-Y311 WeakPolarHBondContact CG2-OH 3.38Å; E286-Y311 WeakPolarHBondContact CG-OH 3.47Å; E286-Y311 PolarHBondContact OE1-OH 2.95Å; P309-Y311 HydrophobicContact CB-CD2 4.29Å; P309-Y311 HydrophobicContact CB-CE2 3.66Å; P309-Y311 HydrophobicContact CG-CE2 4.23Å; Y311-K313 PolarHBondContact O-N 3.44Å; Y311-K313 VanDerWaalsContact O-N 3.13Å; Y311-E314 HydrophobicContact CD2-CG 4.48Å; Y311-E314 PolarHBondContact O-N 2.83Å
312	P	56.4	Low	62.5	Low	35 Å²	35	67.1 Å²	67.1	23%	0.227	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.2	176.7	-18.2	27.2	0	0	0	114.3	Q121 S342	Q121-P312 VanDerWaalsContact NE2-C 3.28Å; Q121-P312 PolarHBondContact NE2-O 3.33Å; P312-S342 WeakPolarHBondContact CG-OG 3.31Å
313	K	53.1	Low	60.8	Low	165 Å²	165	70.7 Å²	70.7	72%	0.717	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-14.7	-175.3	-65.3	-176.4	-177.2	173.9	0	114.2	Y311	Y311-K313 PolarHBondContact O-N 3.44Å; Y311-K313 VanDerWaalsContact O-N 3.13Å
314	E	53.6	Low	59	Low	108 Å²	108	77.1 Å²	77.1	51%	0.505	39%	0.394	S	S	.	.	S	Bend	trans	-98.5	134.9	-179.1	-66.5	-169.7	156.6	0	0	110.5	Q121 Y311 C316	Q121-E314 PolarHBondContact NE2-O 3.23Å; Y311-E314 HydrophobicContact CD2-CG 4.48Å; Y311-E314 PolarHBondContact O-N 2.83Å; E314-C316 PolarHBondContact O-N 3.06Å
315	K	46.3	Very low	56.7	Low	162 Å²	162	77.8 Å²	77.8	70%	0.704	40%	0.404	S	S	*	.			trans	-55.7	109.5	174.4	-74.9	-170.1	175.6	-169.4	0	108.4	S317	K315-S317 PolarHBondContact O-N 2.95Å; K315-S317 PolarHBondContact O-OG 3.43Å
316	C	43.4	Very low	54.7	Low	32 Å²	32	82.5 Å²	82.5	22%	0.216	43%	0.426	C	S	.	.			trans	-69.9	83.5	178.9	-161.7	0	0	0	0	109.3	E314 L318 F319	E314-C316 PolarHBondContact O-N 3.06Å; C316-L318 PolarHBondContact O-N 3.44Å; C316-F319 WeakPolarHBondContact SG-CD2 3.38Å
317	S	40.2	Very low	52.6	Low	86 Å²	86	87.8 Å²	87.8	60%	0.601	45%	0.446	S	S	*	.			trans	-76.6	-2.1	170	-48.3	0	0	0	0	111.2	K315	K315-S317 PolarHBondContact O-N 2.95Å; K315-S317 PolarHBondContact O-OG 3.43Å
318	L	44.5	Very low	50.5	Low	100 Å²	100	96.2 Å²	96.2	52%	0.524	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-9.2	-162.1	-62.3	169.1	0	0	0	113.7	V308 C316	V308-L318 HydrophobicContact CG1-CB 4.15Å; V308-L318 HydrophobicContact CG1-CD1 3.93Å; C316-L318 PolarHBondContact O-N 3.44Å
319	F	41.4	Very low	48.6	Very low	49 Å²	49	99.5 Å²	99.5	22%	0.215	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	41.2	168	-67.4	-69	0	0	0	111.8	L310 C316 P321 V337	L310-F319 HydrophobicContact CD1-CE2 3.99Å; L310-F319 HydrophobicContact CD2-CE2 4.16Å; C316-F319 WeakPolarHBondContact SG-CD2 3.38Å; F319-P321 WeakPolarHBondContact O-CD 3.36Å; F319-V337 HydrophobicContact CZ-CG1 4.39Å; F319-V337 HydrophobicContact CZ-CG2 4.27Å
320	K	37.8	Very low	47.2	Very low	165 Å²	165	107.8 Å²	107.8	72%	0.717	54%	0.54	S	S	*	.			trans	-59.7	125.6	155.4	-79	-174.9	176.7	-177	0	106.7	L322	K320-L322 PolarHBondContact O-N 3.06Å
321	P	36	Very low	46.4	Very low	114 Å²	114	111.5 Å²	111.5	74%	0.74	56%	0.563	S	S	*	*			trans	-53.2	133.6	164.9	22.8	-29.5	0	0	0	106.3	F319 D323	F319-P321 WeakPolarHBondContact O-CD 3.36Å; P321-D323 PolarHBondContact O-N 3.46Å
322	L	37.4	Very low	46.4	Very low	112 Å²	112	114.4 Å²	114.4	59%	0.586	57%	0.574	S	S	*	*			trans	-44.5	108.4	177.4	-143.5	92.5	0	0	0	107.5	K320 E324 E326	K320-L322 PolarHBondContact O-N 3.06Å; L322-E324 PolarHBondContact O-N 3.16Å; L322-E326 HydrophobicContact CD1-CB 4.48Å; L322-E326 WeakPolarHBondContact CD1-OE2 3.3Å; L322-E326 HydrophobicContact CD2-CB 3.77Å; L322-E326 HydrophobicContact CG-CB 3.84Å; L322-E326 VanDerWaalsContact CG-OE2 3.31Å; L322-E326 WeakPolarHBondContact CG-OE2 3.42Å
323	D	34.6	Very low	47.8	Very low	124 Å²	124	116 Å²	116	66%	0.663	58%	0.578	S	S	*	*			trans	-56.2	139.5	169.7	-110.2	-22.8	0	0	0	105.8	P321 T325 E326	P321-D323 PolarHBondContact O-N 3.46Å; D323-T325 WeakPolarHBondContact CB-OG1 3.38Å; D323-T325 PolarHBondContact O-N 2.95Å; D323-E326 PolarHBondContact O-N 3.34Å
324	E	39	Very low	49.5	Very low	145 Å²	145	108.2 Å²	108.2	68%	0.678	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-57.7	-8.4	-175.2	-61.7	-160.6	110.4	0	0	113.6	L322 K327	L322-E324 PolarHBondContact O-N 3.16Å; E324-K327 WeakPolarHBondContact O-CB 3.18Å; E324-K327 PolarHBondContact O-N 3.48Å; E324-K327 IonicContact OE1-NZ 2.69Å; E324-K327 PolarHBondContact OE1-NZ 3.24Å
325	T	35.2	Very low	51.2	Low	103 Å²	103	106 Å²	106	63%	0.632	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-69.3	-21.2	174.3	47.1	0	0	0	0	114.7	D323 K327	D323-T325 WeakPolarHBondContact CB-OG1 3.38Å; D323-T325 PolarHBondContact O-N 2.95Å; T325-K327 VanDerWaalsContact C-N 3.33Å
326	E	43.1	Very low	53.4	Low	106 Å²	106	98.2 Å²	98.2	50%	0.495	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-83.5	-1.6	175.6	-78.3	-171.9	174.2	0	0	114.4	L322 D323 K328 C329	L322-E326 HydrophobicContact CD1-CB 4.48Å; L322-E326 WeakPolarHBondContact CD1-OE2 3.3Å; L322-E326 HydrophobicContact CD2-CB 3.77Å; L322-E326 HydrophobicContact CG-CB 3.84Å; L322-E326 VanDerWaalsContact CG-OE2 3.31Å; L322-E326 WeakPolarHBondContact CG-OE2 3.42Å; D323-E326 PolarHBondContact O-N 3.34Å; E326-K328 PolarHBondContact O-N 2.86Å; E326-C329 PolarHBondContact O-N 3.04Å
327	K	44.7	Very low	55.8	Low	157 Å²	157	96.9 Å²	96.9	68%	0.683	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-59.5	2.9	165.9	-70.7	176.3	-179.4	164.2	0	113.6	E324 T325	E324-K327 WeakPolarHBondContact O-CB 3.18Å; E324-K327 PolarHBondContact O-N 3.48Å; E324-K327 IonicContact OE1-NZ 2.69Å; E324-K327 PolarHBondContact OE1-NZ 3.24Å; T325-K327 VanDerWaalsContact C-N 3.33Å
328	K	43.5	Very low	58.3	Low	191 Å²	191	92.8 Å²	92.8	83%	0.83	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-90.9	-10.7	176.2	-72.1	-177.5	178.2	176	0	114.8	E326 Q330	E326-K328 PolarHBondContact O-N 2.86Å; K328-Q330 PolarHBondContact O-N 3.17Å
329	C	46.8	Very low	60.6	Low	83 Å²	83	88 Å²	88	56%	0.561	44%	0.435	S	S	*	.			trans	-79.4	116.3	173.3	-91.7	0	0	0	0	110.7	E326 V331	E326-C329 PolarHBondContact O-N 3.04Å; C329-V331 PolarHBondContact O-N 3.3Å
330	Q	56.3	Low	63	Low	202 Å²	202	86.3 Å²	86.3	94%	0.944	43%	0.429	S	S	*	.			trans	-72.6	-8.9	179	-71.9	-174.7	-15.2	0	0	113.5	K328	K328-Q330 PolarHBondContact O-N 3.17Å
331	V	67.1	Low	65.5	Low	81 Å²	81	78.9 Å²	78.9	49%	0.491	40%	0.397	S	S	.	.	S	Bend	trans	-111.7	132.8	-174.2	-177.9	0	0	0	0	109.7	G303 C329 Q333	G303-V331 VanDerWaalsContact CA-CG1 3.43Å; C329-V331 PolarHBondContact O-N 3.3Å; V331-Q333 PolarHBondContact O-N 3.25Å
332	Y	74.4	Confident	67.7	Low	82 Å²	82	75.1 Å²	75.1	32%	0.322	37%	0.374	S	S	.	.			trans	-66.5	124.7	177.8	176.9	-101.1	0	0	0	110.4	K272 G273 G303 E304 R334	K272-Y332 HydrophobicContact CB-CE2 4.12Å; K272-Y332 HydrophobicContact CD-CD2 4.24Å; K272-Y332 HydrophobicContact CD-CE2 4.05Å; K272-Y332 HydrophobicContact CG-CD2 4.31Å; K272-Y332 HydrophobicContact CG-CE1 4.39Å; K272-Y332 HydrophobicContact CG-CE2 3.93Å; G273-Y332 WeakPolarHBondContact CA-OH 3.38Å; G273-Y332 PolarHBondContact N-OH 2.87Å; G273-Y332 PolarHBondContact O-OH 2.81Å; G303-Y332 WeakPolarHBondContact CA-O 3.11Å; E304-Y332 PolarHBondContact N-O 3.37Å; Y332-R334 HydrophobicContact CE1-CB 3.97Å
333	Q	84.4	Confident	69.9	Low	69 Å²	69	69.8 Å²	69.8	32%	0.322	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.5	175	-61.8	-174.7	-27.1	0	0	109.6	E304 V306 V331	E304-Q333 HydrophobicContact CB-CG 4.16Å; E304-Q333 WeakPolarHBondContact O-CA 3.28Å; E304-Q333 PolarHBondContact OE2-NE2 3.35Å; V306-Q333 HydrophobicContact CG2-CB 4.44Å; V331-Q333 PolarHBondContact O-N 3.25Å
334	R	89.4	Confident	72.3	Confident	1 Å²	1	64.2 Å²	64.2	0%	0.004	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.1	174.7	173.7	178.8	-78.8	-99.8	13	109.3	I266 E271 G273 I275 E304 L305 V306 Y332 F354	I266-R334 VanDerWaalsContact CG2-NH1 3.26Å; E271-R334 PolarHBondContact O-NH2 3.42Å; G273-R334 PolarHBondContact O-NE 3.44Å; G273-R334 PolarHBondContact O-NH1 3.16Å; I275-R334 VanDerWaalsContact CG1-NH1 3.27Å; E304-R334 PolarHBondContact O-N 2.94Å; L305-R334 HydrophobicContact CD2-CB 4.15Å; L305-R334 HydrophobicContact CD2-CG 4.07Å; V306-R334 PolarHBondContact N-O 3.36Å; Y332-R334 HydrophobicContact CE1-CB 3.97Å; R334-F354 VanDerWaalsContact NH2-CE2 3.27Å
335	R	90	Very high	74.2	Confident	61 Å²	61	58.1 Å²	58.1	23%	0.23	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	141.4	174.2	-61	178.4	-66	-178.8	-1.3	111.2	D274 I275 V306 S349 S351	D274-R335 HydrophobicContact CB-CB 4.26Å; D274-R335 PolarHBondContact OD1-N 3.13Å; D274-R335 IonicContact OD1-NE 3.5Å; D274-R335 IonicContact OD2-CZ 2.71Å; D274-R335 VanDerWaalsContact OD2-CZ 3.27Å; D274-R335 IonicContact OD2-NE 2.69Å; D274-R335 PolarHBondContact OD2-NE 3.1Å; D274-R335 IonicContact OD2-NH2 3.65Å; D274-R335 PolarHBondContact OD2-NH2 3.22Å; I275-R335 PolarHBondContact N-O 3.18Å; V306-R335 HydrophobicContact CB-CG 4.39Å; V306-R335 CarbonylContact O-C 3.5Å; V306-R335 VanDerWaalsContact O-CA 3.26Å; V306-R335 WeakPolarHBondContact O-CA 3.41Å; R335-S349 PolarHBondContact NH2-OG 3.37Å; R335-S351 PolarHBondContact NH2-OG 2.82Å
336	V	92.6	Very high	76.2	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	97.6	171	-175.4	0	0	0	0	107.6	I263 I275 V277 L305 V306 V307 V308 L338	I263-V336 HydrophobicContact CD1-CG1 4.17Å; I263-V336 HydrophobicContact CG1-CG1 4.45Å; I263-V336 HydrophobicContact CG2-CG1 4.35Å; I263-V336 HydrophobicContact CG2-CG2 4.16Å; I275-V336 HydrophobicContact CB-CG1 4.46Å; I275-V336 HydrophobicContact CB-CG2 4.41Å; I275-V336 HydrophobicContact CD1-CG2 4.31Å; I275-V336 CarbonylContact O-C 3.53Å; I275-V336 WeakPolarHBondContact O-CA 3.43Å; V277-V336 HydrophobicContact CG2-CG1 4.18Å; L305-V336 HydrophobicContact CD2-CG2 3.73Å; V306-V336 PolarHBondContact O-N 3.03Å; V307-V336 HydrophobicContact CG1-CB 4.5Å; V308-V336 PolarHBondContact N-O 3.39Å; V336-L338 HydrophobicContact CG1-CD2 3.85Å
337	V	92.3	Very high	78	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	119.3	179	-176.5	0	0	0	0	108.8	I275 V276 V277 V308 L310 F319	I275-V337 PolarHBondContact O-N 3.27Å; V276-V337 CarbonylContact C-O 3.45Å; V276-V337 WeakPolarHBondContact CA-O 3.27Å; V276-V337 HydrophobicContact CG2-CB 4.2Å; V277-V337 PolarHBondContact N-O 3.02Å; V308-V337 HydrophobicContact CB-CG2 4.47Å; V308-V337 CarbonylContact O-C 3.55Å; V308-V337 VanDerWaalsContact O-CA 3.32Å; V308-V337 WeakPolarHBondContact O-CA 3.41Å; L310-V337 HydrophobicContact CB-CG1 3.97Å; L310-V337 HydrophobicContact CD2-CG1 4.09Å; F319-V337 HydrophobicContact CZ-CG1 4.39Å; F319-V337 HydrophobicContact CZ-CG2 4.27Å
338	L	93.3	Very high	79.1	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.8	178.3	-55	179.3	0	0	0	108.9	V277 L279 I285 V288 V307 V308 L310 V336	V277-L338 HydrophobicContact CB-CD2 3.78Å; V277-L338 HydrophobicContact CG1-CD2 4.48Å; V277-L338 HydrophobicContact CG2-CD2 3.82Å; L279-L338 HydrophobicContact CD1-CB 4.37Å; L279-L338 HydrophobicContact CD1-CD2 4.49Å; I285-L338 HydrophobicContact CG1-CB 4.42Å; I285-L338 HydrophobicContact CG2-CB 3.85Å; I285-L338 HydrophobicContact CG2-CD1 4.31Å; V288-L338 HydrophobicContact CB-CD1 4Å; V288-L338 HydrophobicContact CB-CD2 4.48Å; V288-L338 HydrophobicContact CG1-CD1 3.81Å; V288-L338 HydrophobicContact CG1-CD2 3.71Å; V288-L338 HydrophobicContact CG1-CG 4.43Å; V307-L338 HydrophobicContact CG1-CD1 3.6Å; V307-L338 HydrophobicContact CG1-CG 3.99Å; V308-L338 PolarHBondContact O-N 3.49Å; L310-L338 PolarHBondContact N-O 3.07Å; V336-L338 HydrophobicContact CG1-CD2 3.85Å
339	T	93.3	Very high	80.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	168.8	-176.3	-172.8	0	0	0	0	111.9	V276 V277 F278 L279 G343 I347	V276-T339 HydrophobicContact CG1-CG2 4.24Å; V277-T339 PolarHBondContact O-N 3.38Å; F278-T339 CarbonylContact C-O 3.49Å; F278-T339 WeakPolarHBondContact CA-O 3.36Å; F278-T339 HydrophobicContact CD1-CG2 3.6Å; F278-T339 HydrophobicContact CE1-CG2 3.45Å; F278-T339 VanDerWaalsContact CE1-CG2 3.45Å; F278-T339 HydrophobicContact CG-CG2 4.24Å; F278-T339 HydrophobicContact CZ-CG2 3.99Å; L279-T339 PolarHBondContact N-O 2.96Å; T339-G343 WeakPolarHBondContact OG1-CA 3.35Å; T339-I347 HydrophobicContact CG2-CD1 3.85Å
340	T	92.2	Very high	81.7	Confident	13 Å²	13	42 Å²	42	8%	0.08	21%	0.206	C	C	.	.			trans	-107.9	-174.4	165.5	57.3	0	0	0	0	110.3	I285 S342 G343	I285-T340 HydrophobicContact CD1-CG2 3.99Å; T340-S342 PolarHBondContact O-N 2.93Å; T340-S342 VanDerWaalsContact O-N 3.12Å; T340-S342 PolarHBondContact OG1-OG 3.39Å; T340-G343 PolarHBondContact O-N 3.29Å
341	S	89.1	Confident	83	Confident	8 Å²	8	34.3 Å²	34.3	6%	0.056	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-52.5	-32.6	177.3	-44.8	0	0	0	0	113.5	G343 E344 E361 R388	S341-G343 PolarHBondContact O-N 3.11Å; S341-G343 VanDerWaalsContact O-N 3.16Å; S341-E344 WeakPolarHBondContact CA-OE1 3.36Å; S341-E344 WeakPolarHBondContact O-CB 3.29Å; S341-E344 WeakPolarHBondContact O-CG 3.39Å; S341-E344 PolarHBondContact O-N 3.28Å; S341-E344 VanDerWaalsContact O-N 3.13Å; S341-E361 VanDerWaalsContact CB-OE2 3.28Å; S341-E361 WeakPolarHBondContact CB-OE2 3.4Å; S341-E361 WeakPolarHBondContact OG-CB 3.41Å; S341-E361 PolarHBondContact OG-OE2 3.38Å; S341-R388 PolarHBondContact OG-NH2 3.13Å
342	S	82.8	Confident	84	Confident	35 Å²	35	30.6 Å²	30.6	25%	0.245	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-69.6	-8.6	179.8	47.6	0	0	0	0	114.7	P312 T340	P312-S342 WeakPolarHBondContact CG-OG 3.31Å; T340-S342 PolarHBondContact O-N 2.93Å; T340-S342 VanDerWaalsContact O-N 3.12Å; T340-S342 PolarHBondContact OG1-OG 3.39Å
343	G	83.9	Confident	84.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-100.2	3.1	172.3	0	0	0	0	0	114.4	T339 T340 S341 S345 L346 I347	T339-G343 WeakPolarHBondContact OG1-CA 3.35Å; T340-G343 PolarHBondContact O-N 3.29Å; S341-G343 PolarHBondContact O-N 3.11Å; S341-G343 VanDerWaalsContact O-N 3.16Å; G343-S345 VanDerWaalsContact C-N 3.26Å; G343-S345 PolarHBondContact O-N 3.45Å; G343-L346 PolarHBondContact O-N 3.02Å; G343-I347 WeakPolarHBondContact O-CG1 3.38Å
344	E	86.1	Confident	85.3	Confident	8 Å²	8	26.7 Å²	26.7	4%	0.037	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-52.8	-45.4	178.5	-75.7	170.3	-164.2	0	0	111.6	F278 S341 L346 I387 R388	F278-E344 HydrophobicContact CD1-CG 4.34Å; F278-E344 HydrophobicContact CE1-CB 4.47Å; F278-E344 HydrophobicContact CE1-CG 3.6Å; F278-E344 HydrophobicContact CZ-CG 4.15Å; S341-E344 WeakPolarHBondContact CA-OE1 3.36Å; S341-E344 WeakPolarHBondContact O-CB 3.29Å; S341-E344 WeakPolarHBondContact O-CG 3.39Å; S341-E344 PolarHBondContact O-N 3.28Å; S341-E344 VanDerWaalsContact O-N 3.13Å; E344-L346 VanDerWaalsContact C-N 3.34Å; E344-I387 HydrophobicContact CB-CG2 4.22Å; E344-R388 HydrophobicContact CG-CG 4.06Å; E344-R388 IonicContact OE1-CZ 3.11Å; E344-R388 VanDerWaalsContact OE1-CZ 3.25Å; E344-R388 IonicContact OE1-NE 2.64Å; E344-R388 PolarHBondContact OE1-NE 3.3Å; E344-R388 IonicContact OE1-NH2 3Å; E344-R388 PolarHBondContact OE1-NH2 3.14Å
345	S	77.8	Confident	85.6	Confident	17 Å²	17	26.6 Å²	26.6	12%	0.119	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-82.3	-2.8	178.3	56.5	0	0	0	0	114.4	H119 G343 W348	H119-S345 PolarHBondContact CD2-OG 2.8Å; G343-S345 VanDerWaalsContact C-N 3.26Å; G343-S345 PolarHBondContact O-N 3.45Å; S345-W348 PolarHBondContact O-NE1 2.79Å
346	L	78.1	Confident	85.9	Confident	3 Å²	3	23.7 Å²	23.7	2%	0.016	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-101.3	-5.4	-175.7	-59	-178.7	0	0	0	113.5	Q121 L310 G343 E344 W348	Q121-L346 HydrophobicContact CB-CD2 3.7Å; L310-L346 HydrophobicContact CD2-CB 4.1Å; G343-L346 PolarHBondContact O-N 3.02Å; E344-L346 VanDerWaalsContact C-N 3.34Å; L346-W348 VanDerWaalsContact C-CD1 3.44Å; L346-W348 PolarHBondContact O-N 2.54Å
347	I	79.9	Confident	86.1	Confident	4 Å²	4	23.7 Å²	23.7	2%	0.021	12%	0.124	C	C	.	.			trans	-99.9	95.2	-174.2	-60.7	167.1	0	0	0	111.5	K88 V276 F278 L310 T339 G343 V352 I391	K88-I347 VanDerWaalsContact CE-O 3.28Å; K88-I347 WeakPolarHBondContact CE-O 3.28Å; K88-I347 PolarHBondContact NZ-O 2.87Å; V276-I347 HydrophobicContact CG1-CD1 3.54Å; V276-I347 HydrophobicContact CG2-CD1 4.19Å; V276-I347 HydrophobicContact CG2-CG2 4.05Å; F278-I347 HydrophobicContact CZ-CD1 3.97Å; L310-I347 HydrophobicContact CD2-CD1 4.32Å; L310-I347 HydrophobicContact CD2-CG1 3.81Å; T339-I347 HydrophobicContact CG2-CD1 3.85Å; G343-I347 WeakPolarHBondContact O-CG1 3.38Å; I347-V352 HydrophobicContact CG2-CG2 4.27Å; I347-I391 HydrophobicContact CB-CD1 4.37Å; I347-I391 HydrophobicContact CB-CG2 4.33Å; I347-I391 HydrophobicContact CD1-CD1 4.23Å; I347-I391 HydrophobicContact CG2-CG2 3.61Å
348	W	67.6	Low	86.2	Confident	124 Å²	124	24 Å²	24	47%	0.47	13%	0.126	S	C	.	.			trans	-112.6	38.8	-175.2	-63	63.9	0	0	0	113	L126 S345 L346	L126-W348 HydrophobicContact CD2-CH2 3.68Å; L126-W348 HydrophobicContact CD2-CZ2 4.35Å; L126-W348 HydrophobicContact CD2-CZ3 4.21Å; L126-W348 HydrophobicContact CG-CH2 4.49Å; S345-W348 PolarHBondContact O-NE1 2.79Å; L346-W348 VanDerWaalsContact C-CD1 3.44Å; L346-W348 PolarHBondContact O-N 2.54Å
349	S	71.3	Confident	86.3	Confident	21 Å²	21	24 Å²	24	15%	0.147	13%	0.126	C	C	.	.			trans	-108.2	131.7	179.1	-167.8	0	0	0	0	112.8	K88 R335 S351	K88-S349 PolarHBondContact NZ-O 2.75Å; R335-S349 PolarHBondContact NH2-OG 3.37Å; S349-S351 PolarHBondContact O-N 3.2Å; S349-S351 WeakPolarHBondContact OG-CB 3.43Å; S349-S351 PolarHBondContact OG-N 2.88Å; S349-S351 PolarHBondContact OG-OG 3.18Å
350	N	73.6	Confident	86.4	Confident	150 Å²	150	25.8 Å²	25.8	80%	0.802	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-6.1	171.3	-68.1	-16.1	0	0	0	112.6	V352	N350-V352 VanDerWaalsContact C-N 3.34Å
351	S	84.3	Confident	86.4	Confident	39 Å²	39	25.7 Å²	25.7	27%	0.273	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-16	177.6	66.1	0	0	0	0	113.6	G273 D274 R335 S349 K353	G273-S351 CarbonylContact C-O 3.55Å; G273-S351 VanDerWaalsContact CA-O 3.27Å; G273-S351 WeakPolarHBondContact CA-O 3.36Å; D274-S351 PolarHBondContact N-O 2.94Å; D274-S351 VanDerWaalsContact OD2-CB 3.25Å; D274-S351 WeakPolarHBondContact OD2-CB 3.21Å; D274-S351 PolarHBondContact OD2-OG 3.29Å; R335-S351 PolarHBondContact NH2-OG 2.82Å; S349-S351 PolarHBondContact O-N 3.2Å; S349-S351 WeakPolarHBondContact OG-CB 3.43Å; S349-S351 PolarHBondContact OG-N 2.88Å; S349-S351 PolarHBondContact OG-OG 3.18Å; S351-K353 PolarHBondContact O-N 3.37Å
352	V	88.4	Confident	86.5	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.024	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	125.8	-177.1	-175.5	0	0	0	0	109.6	V276 I347 N350 V355 I391 L392	V276-V352 HydrophobicContact CB-CG1 4.3Å; V276-V352 HydrophobicContact CG2-CB 4.39Å; V276-V352 HydrophobicContact CG2-CG1 3.63Å; V276-V352 HydrophobicContact CG2-CG2 3.77Å; I347-V352 HydrophobicContact CG2-CG2 4.27Å; N350-V352 VanDerWaalsContact C-N 3.34Å; V352-V355 HydrophobicContact CG1-CG2 4.14Å; V352-I391 HydrophobicContact CB-CG2 4.44Å; V352-I391 HydrophobicContact CG1-CG2 4.18Å; V352-I391 HydrophobicContact CG2-CG2 4.47Å; V352-L392 HydrophobicContact CG1-CD2 4.33Å
353	K	91.3	Very high	86.7	Confident	65 Å²	65	28.4 Å²	28.4	28%	0.283	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	-11.1	174	-73.1	-161.2	172.8	-164.4	0	114.1	K272 D274 S351 L392 S397 G398 K399	K272-K353 WeakPolarHBondContact O-CD 3.28Å; D274-K353 PolarHBondContact O-N 2.86Å; S351-K353 PolarHBondContact O-N 3.37Å; K353-L392 WeakPolarHBondContact O-CD2 3.4Å; K353-S397 PolarHBondContact NZ-OG 3.04Å; K353-S397 VanDerWaalsContact NZ-OG 3.09Å; K353-G398 CarbonylContact O-C 3.53Å; K353-G398 VanDerWaalsContact O-CA 3.29Å; K353-G398 WeakPolarHBondContact O-CA 3.42Å; K353-K399 PolarHBondContact O-N 3.29Å
354	F	94	Very high	87	Confident	3 Å²	3	34.6 Å²	34.6	1%	0.013	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129.5	-179.5	-49.3	-85.5	0	0	0	109	I266 E271 K272 D274 I275 V276 R334 K399 F401	I266-F354 HydrophobicContact CD1-CB 4.04Å; I266-F354 HydrophobicContact CD1-CD1 4.27Å; I266-F354 HydrophobicContact CD1-CG 4.25Å; I266-F354 HydrophobicContact CG1-CD1 4.33Å; I266-F354 HydrophobicContact CG2-CB 4.39Å; I266-F354 HydrophobicContact CG2-CD1 3.87Å; I266-F354 HydrophobicContact CG2-CD2 3.67Å; I266-F354 HydrophobicContact CG2-CE1 4.01Å; I266-F354 HydrophobicContact CG2-CE2 3.84Å; I266-F354 HydrophobicContact CG2-CG 3.68Å; I266-F354 HydrophobicContact CG2-CZ 3.99Å; E271-F354 HydrophobicContact CB-CZ 3.82Å; E271-F354 WeakPolarHBondContact OE2-CE1 3.33Å; E271-F354 VanDerWaalsContact OE2-CZ 3.31Å; E271-F354 WeakPolarHBondContact OE2-CZ 3.32Å; K272-F354 WeakPolarHBondContact O-CE2 3.46Å; D274-F354 PolarHBondContact O-N 2.89Å; I275-F354 CarbonylContact C-O 3.59Å; I275-F354 WeakPolarHBondContact CA-O 3.15Å; I275-F354 HydrophobicContact CG1-CB 4.25Å; I275-F354 HydrophobicContact CG1-CD2 4.36Å; I275-F354 HydrophobicContact CG2-CB 4.44Å; V276-F354 PolarHBondContact N-O 3.33Å; R334-F354 VanDerWaalsContact NH2-CE2 3.27Å; F354-K399 WeakPolarHBondContact CA-O 3.41Å; F354-K399 HydrophobicContact CD1-CB 4.18Å; F354-K399 HydrophobicContact CD1-CD 4.47Å; F354-K399 HydrophobicContact CE1-CD 4.21Å; F354-F401 HydrophobicContact CB-CE2 4.49Å; F354-F401 AromaticContact CD1-CE2 3.99Å; F354-F401 HydrophobicContact CD1-CE2 3.99Å
355	V	95.2	Very high	87.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.8	170.9	176.7	0	0	0	0	107.6	V276 F278 V352 I391 L392 K399 F400 F401	V276-V355 HydrophobicContact CB-CG2 4.28Å; V276-V355 CarbonylContact O-C 3.48Å; V276-V355 VanDerWaalsContact O-CA 3.3Å; V276-V355 WeakPolarHBondContact O-CA 3.43Å; F278-V355 HydrophobicContact CD2-CG1 3.84Å; F278-V355 HydrophobicContact CE2-CG1 3.94Å; V352-V355 HydrophobicContact CG1-CG2 4.14Å; V355-I391 HydrophobicContact CG2-CB 4.4Å; V355-I391 HydrophobicContact CG2-CG2 4.36Å; V355-L392 HydrophobicContact CB-CD1 4.45Å; V355-L392 HydrophobicContact CB-CG 4.44Å; V355-L392 HydrophobicContact CG2-CD1 4.22Å; V355-L392 HydrophobicContact CG2-CD2 3.78Å; V355-L392 HydrophobicContact CG2-CG 3.7Å; V355-K399 PolarHBondContact N-O 3.06Å; V355-F400 HydrophobicContact CB-CD2 3.66Å; V355-F400 HydrophobicContact CB-CE2 4.03Å; V355-F400 HydrophobicContact CG1-CD2 3.67Å; V355-F400 HydrophobicContact CG1-CE2 3.46Å; V355-F400 VanDerWaalsContact CG1-CE2 3.46Å; V355-F400 HydrophobicContact CG2-CD2 4.49Å; V355-F401 PolarHBondContact O-N 2.71Å
356	I	96.9	Very high	88	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.2	173.3	-58.6	172.5	0	0	0	106.8	L262 I263 I266 I275 V276 V277 F278 F401 L403	L262-I356 HydrophobicContact CB-CD1 3.73Å; L262-I356 HydrophobicContact CD1-CD1 4.41Å; L262-I356 HydrophobicContact CD1-CG1 4.44Å; L262-I356 HydrophobicContact CD1-CG2 4.22Å; I263-I356 HydrophobicContact CG1-CD1 3.91Å; I266-I356 HydrophobicContact CD1-CD1 4.1Å; I266-I356 HydrophobicContact CD1-CG1 4.42Å; I275-I356 HydrophobicContact CG2-CD1 4.02Å; I275-I356 HydrophobicContact CG2-CG1 4.36Å; V276-I356 PolarHBondContact O-N 3.44Å; V277-I356 WeakPolarHBondContact CA-O 3.24Å; V277-I356 HydrophobicContact CG1-CB 4.2Å; V277-I356 HydrophobicContact CG1-CG2 4.31Å; V277-I356 HydrophobicContact CG2-CB 4.37Å; V277-I356 HydrophobicContact CG2-CD1 4.25Å; F278-I356 PolarHBondContact N-O 3.47Å; I356-F401 HydrophobicContact CG1-CB 4.36Å; I356-F401 HydrophobicContact CG1-CD2 4.28Å; I356-L403 HydrophobicContact CG2-CD1 3.69Å; I356-L403 HydrophobicContact CG2-CG 4Å
357	D	96.4	Very high	88.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.5	-176	-178.2	18.2	0	0	0	111.1	G359 I380 R388 F400 F401 L403 Y404	D357-G359 VanDerWaalsContact C-N 3.29Å; D357-G359 PolarHBondContact OD1-N 3.36Å; D357-I380 WeakPolarHBondContact OD2-CD1 3.48Å; D357-R388 IonicContact OD1-CZ 3.37Å; D357-R388 IonicContact OD1-NH1 3.9Å; D357-R388 PolarHBondContact OD1-NH1 3.3Å; D357-F400 HydrophobicContact CB-CE1 4.25Å; D357-F400 HydrophobicContact CB-CE2 4.22Å; D357-F400 HydrophobicContact CB-CZ 3.66Å; D357-F401 PolarHBondContact N-O 3.49Å; D357-L403 WeakPolarHBondContact O-CB 3.21Å; D357-L403 PolarHBondContact O-N 3.26Å; D357-Y404 HydrophobicContact CB-CE1 4.12Å; D357-Y404 VanDerWaalsContact O-CE1 3.32Å; D357-Y404 WeakPolarHBondContact O-CE1 3.49Å; D357-Y404 WeakPolarHBondContact OD2-CE1 3.49Å; D357-Y404 PolarHBondContact OD2-OH 3.29Å
358	V	95.5	Very high	89.2	Confident	11 Å²	11	38.9 Å²	38.9	7%	0.067	19%	0.189	C	C	.	.			trans	-75.4	-15.7	175.9	-59.3	0	0	0	0	113.5	I259 F278 L279 A280 V360 L403	I259-V358 HydrophobicContact CD1-CG1 3.64Å; I259-V358 HydrophobicContact CG1-CG1 4.18Å; F278-V358 WeakPolarHBondContact O-CG1 3.47Å; F278-V358 VanDerWaalsContact O-CG2 3.27Å; F278-V358 WeakPolarHBondContact O-CG2 3.33Å; F278-V358 PolarHBondContact O-N 3.05Å; L279-V358 HydrophobicContact CD2-CG1 4.31Å; A280-V358 HydrophobicContact CB-CG2 4.44Å; V358-V360 HydrophobicContact CB-CG2 4.35Å; V358-V360 HydrophobicContact CG2-CG2 3.91Å; V358-V360 WeakPolarHBondContact CG2-O 3.46Å; V358-V360 PolarHBondContact O-N 2.95Å; V358-L403 HydrophobicContact CG1-CD1 4.24Å
359	G	94.8	Very high	90.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	72.6	4.8	176	0	0	0	0	0	115.5	D357 I380 Y404	D357-G359 VanDerWaalsContact C-N 3.29Å; D357-G359 PolarHBondContact OD1-N 3.36Å; G359-I380 PolarHBondContact O-N 2.74Å; G359-Y404 VanDerWaalsContact CA-CD1 3.41Å
360	V	94.5	Very high	90.8	Very high	36 Å²	36	41.7 Å²	41.7	22%	0.218	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	158	178.2	-65.9	0	0	0	0	110.3	A280 V358 M377 Q378 F408	A280-V360 HydrophobicContact CB-CG2 4.15Å; V358-V360 HydrophobicContact CB-CG2 4.35Å; V358-V360 HydrophobicContact CG2-CG2 3.91Å; V358-V360 WeakPolarHBondContact CG2-O 3.46Å; V358-V360 PolarHBondContact O-N 2.95Å; V360-M377 HydrophobicContact CB-CE 4.04Å; V360-M377 HydrophobicContact CG2-CE 3.68Å; V360-Q378 CarbonylContact C-O 3.58Å; V360-Q378 VanDerWaalsContact CA-O 3.26Å; V360-Q378 WeakPolarHBondContact CA-O 3.38Å; V360-Q378 WeakPolarHBondContact CB-O 3.43Å; V360-F408 HydrophobicContact CG1-CZ 4.13Å
361	E	93.8	Very high	91.6	Very high	12 Å²	12	36.9 Å²	36.9	6%	0.056	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	154.3	176.5	59.6	-179	131.2	0	0	111.2	S341 R363 Q378 I380 Q384	S341-E361 VanDerWaalsContact CB-OE2 3.28Å; S341-E361 WeakPolarHBondContact CB-OE2 3.4Å; S341-E361 WeakPolarHBondContact OG-CB 3.41Å; S341-E361 PolarHBondContact OG-OE2 3.38Å; E361-R363 HydrophobicContact CG-CG 4Å; E361-R363 IonicContact OE1-CZ 3.31Å; E361-R363 IonicContact OE1-NE 3.96Å; E361-R363 PolarHBondContact OE1-NE 3.47Å; E361-R363 IonicContact OE1-NH2 2.7Å; E361-R363 PolarHBondContact OE1-NH2 2.94Å; E361-R363 IonicContact OE2-CZ 3.25Å; E361-R363 IonicContact OE2-NE 3.28Å; E361-R363 PolarHBondContact OE2-NE 2.65Å; E361-R363 VanDerWaalsContact OE2-NE 3.15Å; E361-R363 IonicContact OE2-NH2 3.11Å; E361-Q378 PolarHBondContact N-O 3.41Å; E361-Q378 PolarHBondContact O-N 2.9Å; E361-I380 HydrophobicContact CB-CG2 4.2Å; E361-I380 HydrophobicContact CG-CG2 3.98Å; E361-Q384 PolarHBondContact OE1-NE2 2.98Å; E361-Q384 PolarHBondContact OE1-OE1 2.73Å
362	R	90.6	Very high	91.8	Very high	72 Å²	72	35.2 Å²	35.2	27%	0.272	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	105.8	174.9	-158	174.3	-156.8	165.1	10.2	109.2	A280 C281 L375 V376 M377 E674	A280-R362 WeakPolarHBondContact O-CB 3.45Å; A280-R362 PolarHBondContact O-N 3.35Å; C281-R362 HydrophobicContact CB-CB 3.79Å; R362-L375 HydrophobicContact CG-CB 4.16Å; R362-V376 WeakPolarHBondContact CA-O 3.48Å; R362-M377 HydrophobicContact CB-SD 3.66Å; R362-M377 HydrophobicContact CG-CG 4.41Å; R362-M377 HydrophobicContact CG-SD 3.86Å; R362-E674 IonicContact NH2-OE1 3.43Å
363	R	87.9	Confident	92	Very high	28 Å²	28	36.5 Å²	36.5	11%	0.106	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	151.7	-180	-71.5	-178.6	-176.7	166.3	1.8	111.9	E361 L375 V376 P418	E361-R363 HydrophobicContact CG-CG 4Å; E361-R363 IonicContact OE1-CZ 3.31Å; E361-R363 IonicContact OE1-NE 3.96Å; E361-R363 PolarHBondContact OE1-NE 3.47Å; E361-R363 IonicContact OE1-NH2 2.7Å; E361-R363 PolarHBondContact OE1-NH2 2.94Å; E361-R363 IonicContact OE2-CZ 3.25Å; E361-R363 IonicContact OE2-NE 3.28Å; E361-R363 PolarHBondContact OE2-NE 2.65Å; E361-R363 VanDerWaalsContact OE2-NE 3.15Å; E361-R363 IonicContact OE2-NH2 3.11Å; R363-L375 WeakPolarHBondContact O-CA 3.27Å; R363-V376 PolarHBondContact N-O 3.09Å; R363-V376 PolarHBondContact O-N 2.6Å; R363-P418 VanDerWaalsContact NH1-CD 3.28Å
364	K	88.3	Confident	92	Very high	130 Å²	130	34.6 Å²	34.6	57%	0.565	16%	0.159	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	114.3	173	-171.4	176.9	172.5	-176.6	0	107.9	N373 S374 L375	K364-N373 HydrophobicContact CD-CB 4.13Å; K364-N373 WeakPolarHBondContact CE-ND2 3.43Å; K364-N373 WeakPolarHBondContact CE-OD1 3.48Å; K364-N373 HydrophobicContact CG-CB 3.68Å; K364-S374 CarbonylContact C-O 3.5Å; K364-S374 WeakPolarHBondContact CA-O 3.34Å; K364-L375 HydrophobicContact CB-CD2 4.29Å
365	V	92.8	Very high	91.7	Very high	27 Å²	27	37.6 Å²	37.6	16%	0.164	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123	179.6	-178	0	0	0	0	109	N373 S374 V376 E423	V365-N373 CarbonylContact O-C 3.47Å; V365-N373 WeakPolarHBondContact O-CA 3.46Å; V365-S374 PolarHBondContact N-O 3.11Å; V365-S374 PolarHBondContact O-N 3.3Å; V365-S374 PolarHBondContact O-OG 3.13Å; V365-V376 HydrophobicContact CB-CG2 4.28Å; V365-V376 HydrophobicContact CG2-CB 4.24Å; V365-V376 HydrophobicContact CG2-CG2 4.15Å; V365-E423 CarbonylContact C-O 3.57Å; V365-E423 WeakPolarHBondContact CA-O 3.39Å; V365-E423 HydrophobicContact CG1-CB 4.29Å
366	Y	93.4	Very high	91.5	Very high	14 Å²	14	40.1 Å²	40.1	6%	0.055	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	131.1	177.3	-175.7	-107	0	0	0	110.7	P368 R371 N373 E423 A424 N425 Q457	Y366-P368 HydrophobicContact CE1-CB 4.21Å; Y366-R371 WeakPolarHBondContact OH-CA 3.4Å; Y366-N373 WeakPolarHBondContact CD2-OD1 3.38Å; Y366-E423 WeakPolarHBondContact CB-O 3.37Å; Y366-E423 PolarHBondContact N-O 2.92Å; Y366-A424 VanDerWaalsContact CB-C 3.44Å; Y366-N425 HydrophobicContact CD1-CB 4.07Å; Y366-N425 HydrophobicContact CD2-CB 3.83Å; Y366-N425 HydrophobicContact CE1-CB 4.04Å; Y366-N425 HydrophobicContact CE2-CB 3.81Å; Y366-N425 HydrophobicContact CG-CB 3.95Å; Y366-Q457 VanDerWaalsContact OH-CD 3.24Å; Y366-Q457 PolarHBondContact OH-NE2 3.2Å; Y366-Q457 PolarHBondContact OH-OE1 2.69Å
367	N	91.2	Very high	91.3	Very high	63 Å²	63	44.7 Å²	44.7	34%	0.337	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	111.8	174.2	-178.7	-22.3	0	0	0	109.7	R369 I370 R371 A372	N367-R369 PolarHBondContact O-N 3.47Å; N367-R369 WeakPolarHBondContact OD1-CB 3Å; N367-R369 PolarHBondContact OD1-N 3.48Å; N367-I370 HydrophobicContact CB-CD1 3.91Å; N367-I370 HydrophobicContact CB-CG1 3.59Å; N367-I370 WeakPolarHBondContact O-CG1 3.48Å; N367-I370 PolarHBondContact O-N 2.9Å; N367-R371 WeakPolarHBondContact O-CA 3.39Å; N367-R371 PolarHBondContact O-N 3.05Å; N367-A372 PolarHBondContact N-O 2.98Å; N367-A372 PolarHBondContact O-N 3.44Å
368	P	90.9	Very high	91.1	Very high	17 Å²	17	46.9 Å²	46.9	11%	0.11	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-24	-176	25.8	-34.2	0	0	0	113.4	Y366 I370 R371 E453 Q457	Y366-P368 HydrophobicContact CE1-CB 4.21Å; P368-I370 VanDerWaalsContact C-N 3.35Å; P368-I370 PolarHBondContact O-N 2.8Å; P368-R371 WeakPolarHBondContact O-CG 3.33Å; P368-E453 HydrophobicContact CB-CG 4.3Å; P368-E453 HydrophobicContact CG-CG 3.86Å; P368-Q457 HydrophobicContact CB-CB 3.96Å; P368-Q457 HydrophobicContact CB-CG 4.05Å
369	R	86.9	Confident	91.1	Very high	174 Å²	174	48.6 Å²	48.6	66%	0.657	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-30.2	-179.8	-64.9	-174.1	-177.9	167.5	8.6	113.9	N367 E453 H643	N367-R369 PolarHBondContact O-N 3.47Å; N367-R369 WeakPolarHBondContact OD1-CB 3Å; N367-R369 PolarHBondContact OD1-N 3.48Å; R369-E453 WeakPolarHBondContact CD-OE1 3.39Å; R369-E453 WeakPolarHBondContact CG-OE1 3.48Å; R369-E453 IonicContact CZ-OE1 3.81Å; R369-E453 IonicContact CZ-OE2 3.35Å; R369-E453 IonicContact NE-OE1 3.04Å; R369-E453 PolarHBondContact NE-OE1 2.98Å; R369-E453 IonicContact NE-OE2 2.88Å; R369-E453 IonicContact NH2-OE1 3.93Å; R369-E453 IonicContact NH2-OE2 2.76Å; R369-E453 PolarHBondContact NH2-OE2 2.88Å; R369-H643 PolarHBondContact O-CE1 3.32Å; R369-H643 PolarHBondContact O-ND1 2.96Å
370	I	86.7	Confident	91.2	Very high	31 Å²	31	48.6 Å²	48.6	16%	0.159	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-0.3	179.3	59.7	165.1	0	0	0	112.2	N367 P368 A372 H643 I672	N367-I370 HydrophobicContact CB-CD1 3.91Å; N367-I370 HydrophobicContact CB-CG1 3.59Å; N367-I370 WeakPolarHBondContact O-CG1 3.48Å; N367-I370 PolarHBondContact O-N 2.9Å; P368-I370 VanDerWaalsContact C-N 3.35Å; P368-I370 PolarHBondContact O-N 2.8Å; I370-A372 HydrophobicContact CD1-CB 4.01Å; I370-A372 HydrophobicContact CG1-CB 4.13Å; I370-A372 PolarHBondContact O-N 3.09Å; I370-A372 VanDerWaalsContact O-N 3.12Å; I370-H643 HydrophobicContact CB-CB 4.37Å; I370-H643 PolarHBondContact O-CD2 3.05Å; I370-I672 HydrophobicContact CD1-CD1 3.25Å; I370-I672 HydrophobicContact CD1-CG1 4.4Å
371	R	89.3	Confident	91.2	Very high	49 Å²	49	46.9 Å²	46.9	19%	0.185	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.5	43.6	-175.8	-58.4	-178.2	-168.5	178	10.8	113.3	Y366 N367 P368 Q457 E460 D461 H643	Y366-R371 WeakPolarHBondContact OH-CA 3.4Å; N367-R371 WeakPolarHBondContact O-CA 3.39Å; N367-R371 PolarHBondContact O-N 3.05Å; P368-R371 WeakPolarHBondContact O-CG 3.33Å; R371-Q457 HydrophobicContact CG-CG 4.01Å; R371-E460 IonicContact CZ-OE2 3.59Å; R371-E460 IonicContact NH2-OE1 2.99Å; R371-E460 PolarHBondContact NH2-OE1 2.99Å; R371-E460 IonicContact NH2-OE2 2.89Å; R371-E460 PolarHBondContact NH2-OE2 2.74Å; R371-D461 IonicContact CZ-OD1 3.85Å; R371-D461 VanDerWaalsContact CZ-OD1 3.28Å; R371-D461 IonicContact NE-OD1 2.62Å; R371-D461 IonicContact NH1-OD1 3.96Å; R371-D461 PolarHBondContact NH1-OD1 2.61Å; R371-H643 WeakPolarHBondContact CB-NE2 3.25Å; R371-H643 WeakPolarHBondContact CD-NE2 3.43Å; R371-H643 VanDerWaalsContact CG-NE2 3.26Å; R371-H643 WeakPolarHBondContact CG-NE2 3.37Å
372	A	90.3	Very high	91.2	Very high	4 Å²	4	50.1 Å²	50.1	3%	0.033	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	153.8	-175	0	0	0	0	0	111.3	N367 I370 F670	N367-A372 PolarHBondContact N-O 2.98Å; N367-A372 PolarHBondContact O-N 3.44Å; I370-A372 HydrophobicContact CD1-CB 4.01Å; I370-A372 HydrophobicContact CG1-CB 4.13Å; I370-A372 PolarHBondContact O-N 3.09Å; I370-A372 VanDerWaalsContact O-N 3.12Å; A372-F670 HydrophobicContact CB-CD1 3.57Å; A372-F670 HydrophobicContact CB-CE1 3.66Å
373	N	91.2	Very high	91.3	Very high	30 Å²	30	46.9 Å²	46.9	16%	0.16	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	141.4	175.5	-63.4	-72.1	0	0	0	110.3	K364 V365 Y366 S671 I672	K364-N373 HydrophobicContact CD-CB 4.13Å; K364-N373 WeakPolarHBondContact CE-ND2 3.43Å; K364-N373 WeakPolarHBondContact CE-OD1 3.48Å; K364-N373 HydrophobicContact CG-CB 3.68Å; V365-N373 CarbonylContact O-C 3.47Å; V365-N373 WeakPolarHBondContact O-CA 3.46Å; Y366-N373 WeakPolarHBondContact CD2-OD1 3.38Å; N373-S671 CarbonylContact O-C 3.59Å; N373-S671 WeakPolarHBondContact O-CA 3.48Å; N373-I672 PolarHBondContact O-N 2.9Å
374	S	90.9	Very high	91.5	Very high	26 Å²	26	45.7 Å²	45.7	18%	0.182	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148	168.5	60.3	0	0	0	0	110.3	K364 V365 V376	K364-S374 CarbonylContact C-O 3.5Å; K364-S374 WeakPolarHBondContact CA-O 3.34Å; V365-S374 PolarHBondContact N-O 3.11Å; V365-S374 PolarHBondContact O-N 3.3Å; V365-S374 PolarHBondContact O-OG 3.13Å; S374-V376 WeakPolarHBondContact OG-CG2 3.48Å
375	L	89.1	Confident	91.8	Very high	66 Å²	66	40.2 Å²	40.2	35%	0.346	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	106.8	172	-69.1	174.3	0	0	0	109.4	R362 R363 K364 I672	R362-L375 HydrophobicContact CG-CB 4.16Å; R363-L375 WeakPolarHBondContact O-CA 3.27Å; K364-L375 HydrophobicContact CB-CD2 4.29Å; L375-I672 PolarHBondContact N-O 3.02Å
376	V	90.7	Very high	91.7	Very high	53 Å²	53	41.9 Å²	41.9	32%	0.321	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.6	-175.6	-173	0	0	0	0	109.8	R362 R363 V365 S374 Q378	R362-V376 WeakPolarHBondContact CA-O 3.48Å; R363-V376 PolarHBondContact N-O 3.09Å; R363-V376 PolarHBondContact O-N 2.6Å; V365-V376 HydrophobicContact CB-CG2 4.28Å; V365-V376 HydrophobicContact CG2-CB 4.24Å; V365-V376 HydrophobicContact CG2-CG2 4.15Å; S374-V376 WeakPolarHBondContact OG-CG2 3.48Å; V376-Q378 HydrophobicContact CG1-CG 3.97Å
377	M	91.9	Very high	91.4	Very high	95 Å²	95	41.8 Å²	41.8	47%	0.468	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	127	170	-73.7	-67	-60.8	0	0	109.5	A280 V360 R362	A280-M377 HydrophobicContact CB-CE 3.62Å; A280-M377 HydrophobicContact CB-SD 4.05Å; V360-M377 HydrophobicContact CB-CE 4.04Å; V360-M377 HydrophobicContact CG2-CE 3.68Å; R362-M377 HydrophobicContact CB-SD 3.66Å; R362-M377 HydrophobicContact CG-CG 4.41Å; R362-M377 HydrophobicContact CG-SD 3.86Å
378	Q	93.2	Very high	91.4	Very high	46 Å²	46	38.8 Å²	38.8	22%	0.215	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	153.9	-179.6	-63.5	-178.3	-10.7	0	0	111	V360 E361 V376	V360-Q378 CarbonylContact C-O 3.58Å; V360-Q378 VanDerWaalsContact CA-O 3.26Å; V360-Q378 WeakPolarHBondContact CA-O 3.38Å; V360-Q378 WeakPolarHBondContact CB-O 3.43Å; E361-Q378 PolarHBondContact N-O 3.41Å; E361-Q378 PolarHBondContact O-N 2.9Å; V376-Q378 HydrophobicContact CG1-CG 3.97Å
379	P	95.4	Very high	91.4	Very high	48 Å²	48	40.2 Å²	40.2	31%	0.312	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	145.5	166.3	-20.1	32.5	0	0	0	111.6	F408 M413	P379-F408 HydrophobicContact CB-CE1 4.24Å; P379-F408 HydrophobicContact CB-CZ 3.75Å; P379-F408 HydrophobicContact CG-CE2 4.24Å; P379-F408 HydrophobicContact CG-CZ 3.79Å; P379-M413 HydrophobicContact CB-CG 4.27Å
380	I	95.9	Very high	91.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-68.6	164.4	166.5	68.6	176.6	0	0	0	110.2	D357 G359 E361 Q384 A385 M413	D357-I380 WeakPolarHBondContact OD2-CD1 3.48Å; G359-I380 PolarHBondContact O-N 2.74Å; E361-I380 HydrophobicContact CB-CG2 4.2Å; E361-I380 HydrophobicContact CG-CG2 3.98Å; I380-Q384 HydrophobicContact CB-CB 4.24Å; I380-Q384 HydrophobicContact CD1-CB 4.47Å; I380-A385 HydrophobicContact CD1-CB 3.96Å; I380-M413 HydrophobicContact CD1-CE 4.29Å; I380-M413 HydrophobicContact CG1-CE 3.74Å; I380-M413 HydrophobicContact CG1-SD 4.03Å; I380-M413 WeakPolarHBondContact O-CB 3.44Å; I380-M413 VanDerWaalsContact O-CG 3.25Å; I380-M413 WeakPolarHBondContact O-CG 3.1Å
381	S	95.3	Very high	91.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-79.5	158	170.9	63	0	0	0	0	112.5	S383 Q384 A385 T414 L416 K417	S381-S383 PolarHBondContact O-N 3.25Å; S381-S383 PolarHBondContact OG-OG 2.85Å; S381-Q384 WeakPolarHBondContact O-CB 3.48Å; S381-Q384 PolarHBondContact O-N 3.14Å; S381-Q384 VanDerWaalsContact OG-CG 3.26Å; S381-Q384 WeakPolarHBondContact OG-CG 3.43Å; S381-Q384 PolarHBondContact OG-N 3.36Å; S381-Q384 PolarHBondContact OG-OE1 3.1Å; S381-A385 PolarHBondContact O-N 3.41Å; S381-T414 CarbonylContact C-O 3.49Å; S381-T414 VanDerWaalsContact CA-O 3.23Å; S381-T414 WeakPolarHBondContact CA-O 3.13Å; S381-T414 WeakPolarHBondContact CB-O 3.41Å; S381-L416 VanDerWaalsContact CB-C 3.42Å; S381-K417 PolarHBondContact OG-N 3.1Å
382	Q	94.3	Very high	91.1	Very high	79 Å²	79	29.8 Å²	29.8	37%	0.369	16%	0.157	S	C	.	.	H	α-helix	trans	-58.6	-38.3	172.6	-65	177.4	-4.7	0	0	111.4	Q384 A385 E386 A409 M413 T414	Q382-Q384 VanDerWaalsContact C-N 3.32Å; Q382-Q384 PolarHBondContact O-N 2.82Å; Q382-A385 PolarHBondContact O-N 2.85Å; Q382-E386 PolarHBondContact O-N 3.15Å; Q382-A409 PolarHBondContact NE2-O 3.38Å; Q382-A409 VanDerWaalsContact NE2-O 3.13Å; Q382-M413 HydrophobicContact CG-CB 3.9Å; Q382-M413 PolarHBondContact NE2-O 3.41Å; Q382-T414 PolarHBondContact N-O 3Å
383	S	91.8	Very high	90.1	Very high	5 Å²	5	30.5 Å²	30.5	4%	0.035	17%	0.165	C	C	.	.	H	α-helix	trans	-61.7	-37.5	174	53.2	0	0	0	0	113.1	S381 E386 I387 P415 K417	S381-S383 PolarHBondContact O-N 3.25Å; S381-S383 PolarHBondContact OG-OG 2.85Å; S383-E386 PolarHBondContact O-N 3.32Å; S383-I387 WeakPolarHBondContact O-CD1 3.39Å; S383-I387 VanDerWaalsContact O-CG1 3.3Å; S383-I387 WeakPolarHBondContact O-CG1 3.42Å; S383-I387 PolarHBondContact O-N 3.23Å; S383-P415 PolarHBondContact N-O 3.46Å; S383-P415 PolarHBondContact OG-O 3.09Å; S383-K417 PolarHBondContact OG-N 3.48Å
384	Q	93.2	Very high	88.6	Confident	2 Å²	2	33 Å²	33	1%	0.009	19%	0.185	C	C	.	.	H	α-helix	trans	-68.8	-42.8	175.9	-75.3	168.4	-87.4	0	0	111.3	E361 I380 S381 Q382 E386 I387 R388 K417	E361-Q384 PolarHBondContact OE1-NE2 2.98Å; E361-Q384 PolarHBondContact OE1-OE1 2.73Å; I380-Q384 HydrophobicContact CB-CB 4.24Å; I380-Q384 HydrophobicContact CD1-CB 4.47Å; S381-Q384 WeakPolarHBondContact O-CB 3.48Å; S381-Q384 PolarHBondContact O-N 3.14Å; S381-Q384 VanDerWaalsContact OG-CG 3.26Å; S381-Q384 WeakPolarHBondContact OG-CG 3.43Å; S381-Q384 PolarHBondContact OG-N 3.36Å; S381-Q384 PolarHBondContact OG-OE1 3.1Å; Q382-Q384 VanDerWaalsContact C-N 3.32Å; Q382-Q384 PolarHBondContact O-N 2.82Å; Q384-E386 VanDerWaalsContact C-N 3.26Å; Q384-E386 PolarHBondContact O-N 3.06Å; Q384-I387 PolarHBondContact O-N 2.98Å; Q384-I387 VanDerWaalsContact O-N 3.16Å; Q384-R388 WeakPolarHBondContact O-CG 3.44Å; Q384-R388 PolarHBondContact O-N 3.33Å; Q384-K417 HydrophobicContact CG-CD 4.48Å
385	A	93.3	Very high	87	Confident	15 Å²	15	33.2 Å²	33.2	12%	0.124	19%	0.186	C	C	.	.	H	α-helix	trans	-57.8	-40.9	175.6	0	0	0	0	0	111.5	I380 S381 Q382 R388 K389	I380-A385 HydrophobicContact CD1-CB 3.96Å; S381-A385 PolarHBondContact O-N 3.41Å; Q382-A385 PolarHBondContact O-N 2.85Å; A385-R388 PolarHBondContact O-N 3.3Å; A385-K389 WeakPolarHBondContact O-CB 3.28Å; A385-K389 PolarHBondContact O-N 2.6Å
386	E	90.2	Very high	85.5	Confident	62 Å²	62	35.2 Å²	35.2	29%	0.29	21%	0.206	S	C	.	.	H	α-helix	trans	-67.5	-39.7	176	-167.1	62.1	-148.5	0	0	112.2	Q382 S383 Q384 R388 K389 Q390	Q382-E386 PolarHBondContact O-N 3.15Å; S383-E386 PolarHBondContact O-N 3.32Å; Q384-E386 VanDerWaalsContact C-N 3.26Å; Q384-E386 PolarHBondContact O-N 3.06Å; E386-R388 PolarHBondContact O-N 3.05Å; E386-K389 VanDerWaalsContact CD-NZ 3.34Å; E386-K389 WeakPolarHBondContact O-CB 3.28Å; E386-K389 PolarHBondContact O-N 3.33Å; E386-K389 IonicContact OE1-NZ 3.76Å; E386-K389 PolarHBondContact OE1-NZ 2.9Å; E386-K389 IonicContact OE2-NZ 3.91Å; E386-K389 PolarHBondContact OE2-NZ 3.05Å; E386-Q390 VanDerWaalsContact O-CG 3.22Å; E386-Q390 WeakPolarHBondContact O-CG 3.41Å; E386-Q390 PolarHBondContact O-N 3.4Å
387	I	88.4	Confident	84.9	Confident	13 Å²	13	35.4 Å²	35.4	7%	0.067	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-46.4	173.2	-69.7	160.4	0	0	0	110.8	H188 E344 S383 Q384 K389 Q390 I391	H188-I387 WeakPolarHBondContact CD2-CD1 3.48Å; H188-I387 WeakPolarHBondContact NE2-CD1 3.39Å; E344-I387 HydrophobicContact CB-CG2 4.22Å; S383-I387 WeakPolarHBondContact O-CD1 3.39Å; S383-I387 VanDerWaalsContact O-CG1 3.3Å; S383-I387 WeakPolarHBondContact O-CG1 3.42Å; S383-I387 PolarHBondContact O-N 3.23Å; Q384-I387 PolarHBondContact O-N 2.98Å; Q384-I387 VanDerWaalsContact O-N 3.16Å; I387-K389 VanDerWaalsContact C-N 3.28Å; I387-K389 PolarHBondContact O-N 3.29Å; I387-Q390 WeakPolarHBondContact O-CB 3.34Å; I387-Q390 PolarHBondContact O-N 2.75Å; I387-Q390 VanDerWaalsContact O-N 3.1Å; I387-I391 PolarHBondContact O-N 3.29Å
388	R	91.5	Very high	84.7	Confident	0 Å²	0	31 Å²	31	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.9	-38.4	177.3	-67.2	175.9	-174.2	-164.4	-3	111.8	F278 S341 E344 D357 Q384 A385 E386 I391 F400	F278-R388 HydrophobicContact CD1-CG 4.23Å; F278-R388 HydrophobicContact CD2-CB 4.14Å; F278-R388 HydrophobicContact CD2-CG 3.83Å; F278-R388 HydrophobicContact CE1-CG 4.1Å; F278-R388 HydrophobicContact CE2-CB 3.89Å; F278-R388 HydrophobicContact CE2-CG 3.68Å; F278-R388 HydrophobicContact CG-CG 4.12Å; F278-R388 HydrophobicContact CZ-CB 4.42Å; F278-R388 HydrophobicContact CZ-CG 3.84Å; S341-R388 PolarHBondContact OG-NH2 3.13Å; E344-R388 HydrophobicContact CG-CG 4.06Å; E344-R388 IonicContact OE1-CZ 3.11Å; E344-R388 VanDerWaalsContact OE1-CZ 3.25Å; E344-R388 IonicContact OE1-NE 2.64Å; E344-R388 PolarHBondContact OE1-NE 3.3Å; E344-R388 IonicContact OE1-NH2 3Å; E344-R388 PolarHBondContact OE1-NH2 3.14Å; D357-R388 IonicContact OD1-CZ 3.37Å; D357-R388 IonicContact OD1-NH1 3.9Å; D357-R388 PolarHBondContact OD1-NH1 3.3Å; Q384-R388 WeakPolarHBondContact O-CG 3.44Å; Q384-R388 PolarHBondContact O-N 3.33Å; A385-R388 PolarHBondContact O-N 3.3Å; E386-R388 PolarHBondContact O-N 3.05Å; R388-I391 WeakPolarHBondContact O-CB 3.47Å; R388-I391 PolarHBondContact O-N 2.92Å; R388-F400 HydrophobicContact CB-CE2 3.77Å; R388-F400 HydrophobicContact CB-CZ 4.03Å
389	K	89.8	Confident	84.7	Confident	46 Å²	46	31 Å²	31	20%	0.2	19%	0.187	C	C	.	.	H	α-helix	trans	-65.9	-36.5	174.9	178.7	-178	157.8	-140.8	0	112.3	V243 V245 A385 E386 I387 I391 L392 F400	V243-K389 HydrophobicContact CB-CG 4.18Å; V243-K389 HydrophobicContact CG1-CG 4.01Å; V243-K389 HydrophobicContact CG2-CG 4.32Å; V245-K389 HydrophobicContact CG2-CD 4.07Å; A385-K389 WeakPolarHBondContact O-CB 3.28Å; A385-K389 PolarHBondContact O-N 2.6Å; E386-K389 VanDerWaalsContact CD-NZ 3.34Å; E386-K389 WeakPolarHBondContact O-CB 3.28Å; E386-K389 PolarHBondContact O-N 3.33Å; E386-K389 IonicContact OE1-NZ 3.76Å; E386-K389 PolarHBondContact OE1-NZ 2.9Å; E386-K389 IonicContact OE2-NZ 3.91Å; E386-K389 PolarHBondContact OE2-NZ 3.05Å; I387-K389 VanDerWaalsContact C-N 3.28Å; I387-K389 PolarHBondContact O-N 3.29Å; K389-I391 PolarHBondContact O-N 3.07Å; K389-L392 WeakPolarHBondContact O-CB 3.34Å; K389-L392 PolarHBondContact O-N 2.92Å; K389-F400 HydrophobicContact CB-CD2 3.94Å; K389-F400 HydrophobicContact CB-CE2 4.06Å; K389-F400 HydrophobicContact CB-CG 4.23Å; K389-F400 HydrophobicContact CB-CZ 4.4Å; K389-F400 HydrophobicContact CG-CD2 4.45Å; K389-F400 HydrophobicContact CG-CG 4.36Å
390	Q	86.1	Confident	84.7	Confident	29 Å²	29	28.9 Å²	28.9	14%	0.136	17%	0.173	C	C	.	.	H	α-helix	trans	-66.8	-16	177.3	-70.5	170.8	3.4	0	0	113.5	D86 A87 E386 I387 L392 G393	D86-Q390 HydrophobicContact CB-CG 4.4Å; D86-Q390 PolarHBondContact OD1-NE2 2.94Å; A87-Q390 HydrophobicContact CB-CB 4.04Å; E386-Q390 VanDerWaalsContact O-CG 3.22Å; E386-Q390 WeakPolarHBondContact O-CG 3.41Å; E386-Q390 PolarHBondContact O-N 3.4Å; I387-Q390 WeakPolarHBondContact O-CB 3.34Å; I387-Q390 PolarHBondContact O-N 2.75Å; I387-Q390 VanDerWaalsContact O-N 3.1Å; Q390-L392 PolarHBondContact O-N 3.12Å; Q390-G393 PolarHBondContact O-N 3.43Å
391	I	86.3	Confident	84.7	Confident	4 Å²	4	30.3 Å²	30.3	2%	0.021	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.3	173.8	-66.3	171.7	0	0	0	112	K88 V276 F278 I347 V352 V355 I387 R388 K389 G393	K88-I391 PolarHBondContact NZ-O 3.12Å; V276-I391 HydrophobicContact CG2-CG2 4.43Å; F278-I391 HydrophobicContact CE2-CD1 3.61Å; F278-I391 HydrophobicContact CZ-CD1 3.33Å; I347-I391 HydrophobicContact CB-CD1 4.37Å; I347-I391 HydrophobicContact CB-CG2 4.33Å; I347-I391 HydrophobicContact CD1-CD1 4.23Å; I347-I391 HydrophobicContact CG2-CG2 3.61Å; V352-I391 HydrophobicContact CB-CG2 4.44Å; V352-I391 HydrophobicContact CG1-CG2 4.18Å; V352-I391 HydrophobicContact CG2-CG2 4.47Å; V355-I391 HydrophobicContact CG2-CB 4.4Å; V355-I391 HydrophobicContact CG2-CG2 4.36Å; I387-I391 PolarHBondContact O-N 3.29Å; R388-I391 WeakPolarHBondContact O-CB 3.47Å; R388-I391 PolarHBondContact O-N 2.92Å; K389-I391 PolarHBondContact O-N 3.07Å; I391-G393 PolarHBondContact O-N 2.65Å; I391-G393 VanDerWaalsContact O-N 3.07Å
392	L	84.1	Confident	84.7	Confident	3 Å²	3	30.4 Å²	30.4	2%	0.016	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-8.4	176.1	-67.9	165.7	0	0	0	113.5	V243 V352 K353 V355 K389 Q390 F400	V243-L392 HydrophobicContact CG1-CD1 3.47Å; V243-L392 VanDerWaalsContact CG1-CD1 3.47Å; V243-L392 HydrophobicContact CG2-CB 4.39Å; V352-L392 HydrophobicContact CG1-CD2 4.33Å; K353-L392 WeakPolarHBondContact O-CD2 3.4Å; V355-L392 HydrophobicContact CB-CD1 4.45Å; V355-L392 HydrophobicContact CB-CG 4.44Å; V355-L392 HydrophobicContact CG2-CD1 4.22Å; V355-L392 HydrophobicContact CG2-CD2 3.78Å; V355-L392 HydrophobicContact CG2-CG 3.7Å; K389-L392 WeakPolarHBondContact O-CB 3.34Å; K389-L392 PolarHBondContact O-N 2.92Å; Q390-L392 PolarHBondContact O-N 3.12Å; L392-F400 HydrophobicContact CD1-CB 3.76Å; L392-F400 HydrophobicContact CD1-CD2 4.25Å
393	G	69.3	Low	84.8	Confident	18 Å²	18	27.4 Å²	27.4	19%	0.186	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	-155.7	172.6	0	0	0	0	0	113.3	Q390 I391 S395	Q390-G393 PolarHBondContact O-N 3.43Å; I391-G393 PolarHBondContact O-N 2.65Å; I391-G393 VanDerWaalsContact O-N 3.07Å; G393-S395 PolarHBondContact O-N 3.45Å
394	S	59.2	Low	84.9	Confident	83 Å²	83	27.8 Å²	27.8	58%	0.58	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	8.3	179.6	-48	0	0	0	0	114.6	H241 S396	H241-S394 PolarHBondContact CD2-OG 3.42Å; H241-S394 VanDerWaalsContact CE1-CB 3.43Å; H241-S394 WeakPolarHBondContact CE1-CB 3.32Å; H241-S394 PolarHBondContact CE1-OG 3.47Å; H241-S394 VanDerWaalsContact CE1-OG 3.22Å; H241-S394 WeakPolarHBondContact NE2-CB 3.39Å; H241-S394 PolarHBondContact NE2-OG 3.32Å; S394-S396 PolarHBondContact O-N 3.27Å; S394-S396 VanDerWaalsContact O-N 3.11Å
395	S	58	Low	85	Confident	30 Å²	30	29 Å²	29	21%	0.21	18%	0.175	C	C	.	.			trans	-71.4	106	179.8	176.8	0	0	0	0	109.7	G393 S397 G398	G393-S395 PolarHBondContact O-N 3.45Å; S395-S397 PolarHBondContact O-N 3.01Å; S395-G398 PolarHBondContact O-N 2.95Å; S395-G398 VanDerWaalsContact O-N 3.14Å
396	S	58.8	Low	85	Confident	109 Å²	109	34.5 Å²	34.5	76%	0.762	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	8.1	-178.5	65.7	0	0	0	0	115.3	S394	S394-S396 PolarHBondContact O-N 3.27Å; S394-S396 VanDerWaalsContact O-N 3.11Å
397	S	77.8	Confident	85.2	Confident	57 Å²	57	37 Å²	37	40%	0.399	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	14.3	-179.9	84.3	0	0	0	0	113.2	K353 S395	K353-S397 PolarHBondContact NZ-OG 3.04Å; K353-S397 VanDerWaalsContact NZ-OG 3.09Å; S395-S397 PolarHBondContact O-N 3.01Å
398	G	87.8	Confident	85.5	Confident	2 Å²	2	38.6 Å²	38.6	2%	0.021	22%	0.216	C	C	.	.			trans	-73.8	141.6	-179.9	0	0	0	0	0	112.3	E244 K353 S395	E244-G398 PolarHBondContact N-O 3.38Å; K353-G398 CarbonylContact O-C 3.53Å; K353-G398 VanDerWaalsContact O-CA 3.29Å; K353-G398 WeakPolarHBondContact O-CA 3.42Å; S395-G398 PolarHBondContact O-N 2.95Å; S395-G398 VanDerWaalsContact O-N 3.14Å
399	K	93.1	Very high	85.7	Confident	45 Å²	45	39.4 Å²	39.4	20%	0.196	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.3	176.7	-64.4	175.3	-175.1	153.4	0	110.6	E244 E271 K353 F354 V355 F401	E244-K399 HydrophobicContact CB-CG 4.38Å; E244-K399 WeakPolarHBondContact O-CA 3.33Å; E271-K399 IonicContact OE1-NZ 3.29Å; E271-K399 PolarHBondContact OE1-NZ 2.98Å; E271-K399 IonicContact OE2-NZ 2.81Å; E271-K399 PolarHBondContact OE2-NZ 3.27Å; E271-K399 VanDerWaalsContact OE2-NZ 3.11Å; K353-K399 PolarHBondContact O-N 3.29Å; F354-K399 WeakPolarHBondContact CA-O 3.41Å; F354-K399 HydrophobicContact CD1-CB 4.18Å; F354-K399 HydrophobicContact CD1-CD 4.47Å; F354-K399 HydrophobicContact CE1-CD 4.21Å; V355-K399 PolarHBondContact N-O 3.06Å; K399-F401 HydrophobicContact CB-CD2 4.37Å; K399-F401 HydrophobicContact CB-CE2 3.7Å; K399-F401 HydrophobicContact CB-CZ 3.8Å; K399-F401 HydrophobicContact CD-CE2 4.44Å; K399-F401 HydrophobicContact CD-CZ 3.83Å; K399-F401 HydrophobicContact CG-CZ 4.43Å
400	F	94.9	Very high	85.9	Confident	5 Å²	5	40.9 Å²	40.9	2%	0.022	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	108	174.3	-170.5	-99.7	0	0	0	109	V243 E244 V245 V246 V355 D357 R388 K389 L392 C402	V243-F400 HydrophobicContact CG1-CB 3.91Å; E244-F400 PolarHBondContact O-N 3.42Å; V245-F400 WeakPolarHBondContact CA-O 3.42Å; V245-F400 HydrophobicContact CG1-CD1 4.15Å; V245-F400 HydrophobicContact CG2-CB 4.37Å; V246-F400 PolarHBondContact N-O 3.03Å; V355-F400 HydrophobicContact CB-CD2 3.66Å; V355-F400 HydrophobicContact CB-CE2 4.03Å; V355-F400 HydrophobicContact CG1-CD2 3.67Å; V355-F400 HydrophobicContact CG1-CE2 3.46Å; V355-F400 VanDerWaalsContact CG1-CE2 3.46Å; V355-F400 HydrophobicContact CG2-CD2 4.49Å; D357-F400 HydrophobicContact CB-CE1 4.25Å; D357-F400 HydrophobicContact CB-CE2 4.22Å; D357-F400 HydrophobicContact CB-CZ 3.66Å; R388-F400 HydrophobicContact CB-CE2 3.77Å; R388-F400 HydrophobicContact CB-CZ 4.03Å; K389-F400 HydrophobicContact CB-CD2 3.94Å; K389-F400 HydrophobicContact CB-CE2 4.06Å; K389-F400 HydrophobicContact CB-CG 4.23Å; K389-F400 HydrophobicContact CB-CZ 4.4Å; K389-F400 HydrophobicContact CG-CD2 4.45Å; K389-F400 HydrophobicContact CG-CG 4.36Å; L392-F400 HydrophobicContact CD1-CB 3.76Å; L392-F400 HydrophobicContact CD1-CD2 4.25Å; F400-C402 WeakPolarHBondContact CD1-SG 3.32Å; F400-C402 WeakPolarHBondContact CE1-SG 3.31Å
401	F	95.8	Very high	86.2	Confident	29 Å²	29	46.3 Å²	46.3	13%	0.127	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	108.8	-179.4	-61.6	-79.9	0	0	0	110.2	V246 L262 I266 F354 V355 I356 D357 K399	V246-F401 HydrophobicContact CB-CD1 3.86Å; V246-F401 HydrophobicContact CB-CE1 4.26Å; V246-F401 HydrophobicContact CG1-CD1 4.18Å; V246-F401 HydrophobicContact CG1-CE1 4.49Å; V246-F401 HydrophobicContact CG2-CD1 4.25Å; V246-F401 HydrophobicContact CG2-CE1 4.19Å; L262-F401 HydrophobicContact CD1-CB 4.07Å; L262-F401 HydrophobicContact CD1-CG 4.36Å; L262-F401 HydrophobicContact CD2-CD1 4.42Å; I266-F401 HydrophobicContact CD1-CD2 4.07Å; I266-F401 HydrophobicContact CD1-CE2 3.6Å; I266-F401 HydrophobicContact CD1-CZ 4.35Å; I266-F401 HydrophobicContact CG1-CE2 4.13Å; I266-F401 HydrophobicContact CG1-CZ 4.45Å; F354-F401 HydrophobicContact CB-CE2 4.49Å; F354-F401 AromaticContact CD1-CE2 3.99Å; F354-F401 HydrophobicContact CD1-CE2 3.99Å; V355-F401 PolarHBondContact O-N 2.71Å; I356-F401 HydrophobicContact CG1-CB 4.36Å; I356-F401 HydrophobicContact CG1-CD2 4.28Å; D357-F401 PolarHBondContact N-O 3.49Å; K399-F401 HydrophobicContact CB-CD2 4.37Å; K399-F401 HydrophobicContact CB-CE2 3.7Å; K399-F401 HydrophobicContact CB-CZ 3.8Å; K399-F401 HydrophobicContact CD-CE2 4.44Å; K399-F401 HydrophobicContact CD-CZ 3.83Å; K399-F401 HydrophobicContact CG-CZ 4.43Å
402	C	95.6	Very high	86.6	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.014	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	116.2	173.2	-53.7	0	0	0	0	109.1	V246 Y247 L248 F400 Y404	V246-C402 PolarHBondContact O-N 3.47Å; Y247-C402 HydrophobicContact CD1-CB 3.46Å; Y247-C402 VanDerWaalsContact CD1-CB 3.46Å; Y247-C402 HydrophobicContact CE1-CB 3.85Å; Y247-C402 WeakPolarHBondContact CE1-SG 3.27Å; Y247-C402 HydrophobicContact CG-CB 4.23Å; L248-C402 PolarHBondContact N-O 2.93Å; F400-C402 WeakPolarHBondContact CD1-SG 3.32Å; F400-C402 WeakPolarHBondContact CE1-SG 3.31Å; C402-Y404 HydrophobicContact CB-CD1 4.05Å; C402-Y404 HydrophobicContact CB-CD2 3.89Å; C402-Y404 HydrophobicContact CB-CE1 3.81Å; C402-Y404 HydrophobicContact CB-CE2 3.63Å; C402-Y404 HydrophobicContact CB-CG 4.11Å; C402-Y404 PolarHBondContact O-N 3.5Å
403	L	94.9	Very high	87.2	Confident	17 Å²	17	50.9 Å²	50.9	9%	0.089	29%	0.286	C	S	.	.	S	Bend	trans	-80.4	34.7	172	-64.3	-178	0	0	0	112.6	L248 I259 L262 I356 D357 V358	L248-L403 HydrophobicContact CD1-CB 4.25Å; L248-L403 HydrophobicContact CD1-CD2 4.27Å; L248-L403 WeakPolarHBondContact CD1-O 3.32Å; L248-L403 HydrophobicContact CD2-CD2 4.38Å; L248-L403 HydrophobicContact CG-CD2 4.39Å; I259-L403 HydrophobicContact CB-CD1 4.4Å; I259-L403 HydrophobicContact CD1-CD1 4.31Å; I259-L403 HydrophobicContact CG1-CD1 3.34Å; L262-L403 HydrophobicContact CD1-CD2 3.57Å; L262-L403 HydrophobicContact CD1-CG 4.42Å; I356-L403 HydrophobicContact CG2-CD1 3.69Å; I356-L403 HydrophobicContact CG2-CG 4Å; D357-L403 WeakPolarHBondContact O-CB 3.21Å; D357-L403 PolarHBondContact O-N 3.26Å; V358-L403 HydrophobicContact CG1-CD1 4.24Å
404	Y	94.2	Very high	88.4	Confident	13 Å²	13	53.7 Å²	53.7	5%	0.051	30%	0.3	C	S	.	.	S	Bend	trans	-148.6	163.6	179.7	47.2	-89.2	0	0	0	109.2	Y247 L248 D357 G359 C402 F408 A409 M413	Y247-Y404 HydrophobicContact CD1-CD2 4.32Å; Y247-Y404 HydrophobicContact CD1-CE2 4.38Å; Y247-Y404 HydrophobicContact CE1-CD2 4.34Å; Y247-Y404 HydrophobicContact CE1-CE2 4.02Å; L248-Y404 PolarHBondContact N-O 3.09Å; L248-Y404 VanDerWaalsContact N-O 3.17Å; D357-Y404 HydrophobicContact CB-CE1 4.12Å; D357-Y404 VanDerWaalsContact O-CE1 3.32Å; D357-Y404 WeakPolarHBondContact O-CE1 3.49Å; D357-Y404 WeakPolarHBondContact OD2-CE1 3.49Å; D357-Y404 PolarHBondContact OD2-OH 3.29Å; G359-Y404 VanDerWaalsContact CA-CD1 3.41Å; C402-Y404 HydrophobicContact CB-CD1 4.05Å; C402-Y404 HydrophobicContact CB-CD2 3.89Å; C402-Y404 HydrophobicContact CB-CE1 3.81Å; C402-Y404 HydrophobicContact CB-CE2 3.63Å; C402-Y404 HydrophobicContact CB-CG 4.11Å; C402-Y404 PolarHBondContact O-N 3.5Å; Y404-F408 HydrophobicContact CD2-CD1 4.09Å; Y404-F408 HydrophobicContact CG-CD1 4.04Å; Y404-A409 HydrophobicContact CD2-CB 4.21Å; Y404-A409 HydrophobicContact CE2-CB 4.08Å; Y404-M413 HydrophobicContact CD1-CE 4.38Å; Y404-M413 HydrophobicContact CD2-CE 3.8Å; Y404-M413 HydrophobicContact CE1-CE 4.11Å; Y404-M413 HydrophobicContact CE2-CE 3.47Å; Y404-M413 VanDerWaalsContact CE2-CE 3.47Å; Y404-M413 HydrophobicContact CE2-SD 4.45Å; Y404-M413 HydrophobicContact CG-CE 4.22Å
405	T	94.8	Very high	90.1	Very high	26 Å²	26	53.9 Å²	53.9	16%	0.16	30%	0.299	C	S	.	.			trans	-83.4	158.4	-179.9	66.7	0	0	0	0	111.1	E407 F408 A409	T405-E407 PolarHBondContact O-N 3.33Å; T405-F408 WeakPolarHBondContact O-CB 3.39Å; T405-F408 PolarHBondContact O-N 3.03Å; T405-F408 WeakPolarHBondContact OG1-CB 2.99Å; T405-F408 PolarHBondContact OG1-N 3.18Å; T405-F408 VanDerWaalsContact OG1-N 3.07Å; T405-A409 PolarHBondContact O-N 2.84Å; T405-A409 VanDerWaalsContact O-N 3.12Å
406	E	94.7	Very high	91.8	Very high	132 Å²	132	54.6 Å²	54.6	62%	0.617	30%	0.3	S	S	*	.	H	α-helix	trans	-63.1	-30	171.7	-170.9	176.7	-167.4	0	0	111.8	Y247 A409 S410	Y247-E406 HydrophobicContact CD1-CB 4.32Å; Y247-E406 HydrophobicContact CD2-CB 4.2Å; Y247-E406 HydrophobicContact CE2-CB 4.38Å; Y247-E406 HydrophobicContact CE2-CG 4.34Å; Y247-E406 HydrophobicContact CG-CB 4.17Å; E406-A409 PolarHBondContact O-N 3.38Å; E406-S410 WeakPolarHBondContact O-CB 3.48Å; E406-S410 PolarHBondContact O-N 3.5Å; E406-S410 PolarHBondContact O-OG 3.46Å
407	E	94.6	Very high	93.3	Very high	113 Å²	113	51.1 Å²	51.1	53%	0.528	27%	0.271	S	S	.	.	H	α-helix	trans	-64.1	-43.6	173.2	-174.8	172.7	-166.3	0	0	111.8	T405 S410 K411	T405-E407 PolarHBondContact O-N 3.33Å; E407-S410 PolarHBondContact O-N 3.31Å; E407-S410 PolarHBondContact O-OG 2.58Å; E407-S410 VanDerWaalsContact O-OG 3.07Å; E407-K411 HydrophobicContact CG-CD 3.77Å; E407-K411 HydrophobicContact CG-CG 4.34Å; E407-K411 WeakPolarHBondContact O-CB 3.27Å; E407-K411 PolarHBondContact O-N 3.03Å; E407-K411 WeakPolarHBondContact OE1-CE 3.25Å; E407-K411 IonicContact OE1-NZ 3.59Å; E407-K411 PolarHBondContact OE1-NZ 3.11Å
408	F	94.5	Very high	93.9	Very high	48 Å²	48	50 Å²	50	21%	0.211	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-45.1	175.3	178	-96	0	0	0	111.3	V360 P379 Y404 T405 S410 D412 M413	V360-F408 HydrophobicContact CG1-CZ 4.13Å; P379-F408 HydrophobicContact CB-CE1 4.24Å; P379-F408 HydrophobicContact CB-CZ 3.75Å; P379-F408 HydrophobicContact CG-CE2 4.24Å; P379-F408 HydrophobicContact CG-CZ 3.79Å; Y404-F408 HydrophobicContact CD2-CD1 4.09Å; Y404-F408 HydrophobicContact CG-CD1 4.04Å; T405-F408 WeakPolarHBondContact O-CB 3.39Å; T405-F408 PolarHBondContact O-N 3.03Å; T405-F408 WeakPolarHBondContact OG1-CB 2.99Å; T405-F408 PolarHBondContact OG1-N 3.18Å; T405-F408 VanDerWaalsContact OG1-N 3.07Å; F408-S410 VanDerWaalsContact C-N 3.27Å; F408-S410 PolarHBondContact O-N 2.97Å; F408-D412 HydrophobicContact CD2-CB 3.71Å; F408-D412 WeakPolarHBondContact CD2-OD2 3.34Å; F408-D412 HydrophobicContact CE2-CB 3.77Å; F408-D412 HydrophobicContact CG-CB 4.31Å; F408-D412 HydrophobicContact CZ-CB 4.42Å; F408-D412 WeakPolarHBondContact O-CB 3.48Å; F408-D412 PolarHBondContact O-N 2.94Å; F408-M413 HydrophobicContact CD1-CE 3.85Å; F408-M413 HydrophobicContact CD1-CG 4.43Å; F408-M413 HydrophobicContact CE1-CE 3.63Å; F408-M413 HydrophobicContact CE1-CG 4.22Å; F408-M413 PolarHBondContact O-N 2.87Å
409	A	94.4	Very high	94.1	Very high	16 Å²	16	50 Å²	50	13%	0.132	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-34.1	178.1	0	0	0	0	0	113.2	Y247 Q382 Y404 T405 E406 M413	Y247-A409 HydrophobicContact CE1-CB 4.31Å; Q382-A409 PolarHBondContact NE2-O 3.38Å; Q382-A409 VanDerWaalsContact NE2-O 3.13Å; Y404-A409 HydrophobicContact CD2-CB 4.21Å; Y404-A409 HydrophobicContact CE2-CB 4.08Å; T405-A409 PolarHBondContact O-N 2.84Å; T405-A409 VanDerWaalsContact O-N 3.12Å; E406-A409 PolarHBondContact O-N 3.38Å; A409-M413 HydrophobicContact CB-SD 4.18Å; A409-M413 WeakPolarHBondContact O-CB 3.37Å
410	S	94.1	Very high	94.1	Very high	77 Å²	77	52.4 Å²	52.4	54%	0.538	27%	0.274	S	S	.	.	H	α-helix	trans	-87.8	-31.9	-178	55.6	0	0	0	0	114.2	E406 E407 F408	E406-S410 WeakPolarHBondContact O-CB 3.48Å; E406-S410 PolarHBondContact O-N 3.5Å; E406-S410 PolarHBondContact O-OG 3.46Å; E407-S410 PolarHBondContact O-N 3.31Å; E407-S410 PolarHBondContact O-OG 2.58Å; E407-S410 VanDerWaalsContact O-OG 3.07Å; F408-S410 VanDerWaalsContact C-N 3.27Å; F408-S410 PolarHBondContact O-N 2.97Å
411	K	93.9	Very high	94.1	Very high	144 Å²	144	52.1 Å²	52.1	63%	0.626	27%	0.273	S	S	*	.	H	α-helix	trans	-101	-36.5	-174.6	-65.9	-174.2	-178.5	175.4	0	114.4	E407	E407-K411 HydrophobicContact CG-CD 3.77Å; E407-K411 HydrophobicContact CG-CG 4.34Å; E407-K411 WeakPolarHBondContact O-CB 3.27Å; E407-K411 PolarHBondContact O-N 3.03Å; E407-K411 WeakPolarHBondContact OE1-CE 3.25Å; E407-K411 IonicContact OE1-NZ 3.59Å; E407-K411 PolarHBondContact OE1-NZ 3.11Å
412	D	94.8	Very high	93.8	Very high	93 Å²	93	55.1 Å²	55.1	50%	0.497	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-28.9	-169.9	-59.4	-56.7	0	0	0	112.9	F408	F408-D412 HydrophobicContact CD2-CB 3.71Å; F408-D412 WeakPolarHBondContact CD2-OD2 3.34Å; F408-D412 HydrophobicContact CE2-CB 3.77Å; F408-D412 HydrophobicContact CG-CB 4.31Å; F408-D412 HydrophobicContact CZ-CB 4.42Å; F408-D412 WeakPolarHBondContact O-CB 3.48Å; F408-D412 PolarHBondContact O-N 2.94Å
413	M	96.1	Very high	93.6	Very high	9 Å²	9	57 Å²	57	4%	0.044	30%	0.296	C	S	.	.	S	Bend	trans	-78.9	128.8	175.4	-61.8	-173.6	175.1	0	0	111.6	P379 I380 Q382 Y404 F408 A409	P379-M413 HydrophobicContact CB-CG 4.27Å; I380-M413 HydrophobicContact CD1-CE 4.29Å; I380-M413 HydrophobicContact CG1-CE 3.74Å; I380-M413 HydrophobicContact CG1-SD 4.03Å; I380-M413 WeakPolarHBondContact O-CB 3.44Å; I380-M413 VanDerWaalsContact O-CG 3.25Å; I380-M413 WeakPolarHBondContact O-CG 3.1Å; Q382-M413 HydrophobicContact CG-CB 3.9Å; Q382-M413 PolarHBondContact NE2-O 3.41Å; Y404-M413 HydrophobicContact CD1-CE 4.38Å; Y404-M413 HydrophobicContact CD2-CE 3.8Å; Y404-M413 HydrophobicContact CE1-CE 4.11Å; Y404-M413 HydrophobicContact CE2-CE 3.47Å; Y404-M413 VanDerWaalsContact CE2-CE 3.47Å; Y404-M413 HydrophobicContact CE2-SD 4.45Å; Y404-M413 HydrophobicContact CG-CE 4.22Å; F408-M413 HydrophobicContact CD1-CE 3.85Å; F408-M413 HydrophobicContact CD1-CG 4.43Å; F408-M413 HydrophobicContact CE1-CE 3.63Å; F408-M413 HydrophobicContact CE1-CG 4.22Å; F408-M413 PolarHBondContact O-N 2.87Å; A409-M413 HydrophobicContact CB-SD 4.18Å; A409-M413 WeakPolarHBondContact O-CB 3.37Å
414	T	94.9	Very high	93.6	Very high	77 Å²	77	56.9 Å²	56.9	47%	0.472	30%	0.298	S	S	.	.			trans	-73.2	152.8	174.6	56.8	0	0	0	0	111.4	S381 Q382 L416	S381-T414 CarbonylContact C-O 3.49Å; S381-T414 VanDerWaalsContact CA-O 3.23Å; S381-T414 WeakPolarHBondContact CA-O 3.13Å; S381-T414 WeakPolarHBondContact CB-O 3.41Å; Q382-T414 PolarHBondContact N-O 3Å; T414-L416 PolarHBondContact O-N 3.37Å; T414-L416 PolarHBondContact OG1-O 3.26Å
415	P	93.8	Very high	93.6	Very high	87 Å²	87	58.9 Å²	58.9	57%	0.565	31%	0.31	S	S	*	.	S	Bend	trans	-63.3	-37.5	-176.4	-25.7	35	0	0	0	114.5	S383	S383-P415 PolarHBondContact N-O 3.46Å; S383-P415 PolarHBondContact OG-O 3.09Å
416	L	93.2	Very high	93.6	Very high	45 Å²	45	57.7 Å²	57.7	24%	0.236	30%	0.302	C	S	.	.	S	Bend	trans	-127.8	150.5	-175.1	-66.3	177.4	0	0	0	110.3	H220 L221 K224 S381 T414	H220-L416 HydrophobicContact CB-CD2 3.72Å; L221-L416 HydrophobicContact CD1-CD1 4.13Å; K224-L416 HydrophobicContact CD-CD1 4.21Å; S381-L416 VanDerWaalsContact CB-C 3.42Å; T414-L416 PolarHBondContact O-N 3.37Å; T414-L416 PolarHBondContact OG1-O 3.26Å
417	K	91.3	Very high	93.7	Very high	36 Å²	36	51.5 Å²	51.5	16%	0.157	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-57	129.8	168.6	-169.3	172.2	177.9	172.5	0	110.2	E189 S381 S383 Q384	E189-K417 IonicContact OE2-NZ 2.72Å; E189-K417 PolarHBondContact OE2-NZ 2.9Å; S381-K417 PolarHBondContact OG-N 3.1Å; S383-K417 PolarHBondContact OG-N 3.48Å; Q384-K417 HydrophobicContact CG-CD 4.48Å
418	P	90.6	Very high	93.8	Very high	34 Å²	34	48.4 Å²	48.4	22%	0.221	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-64.6	154.7	174.4	28.4	-33.9	0	0	0	110.2	R363	R363-P418 VanDerWaalsContact NH1-CD 3.28Å
419	A	92.9	Very high	93.8	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-74.3	133.3	178.9	0	0	0	0	0	110.2	R190 M421 Q422 N448	R190-A419 HydrophobicContact CB-CB 4.48Å; A419-M421 PolarHBondContact O-N 2.64Å; A419-Q422 HydrophobicContact CB-CG 4.28Å; A419-Q422 WeakPolarHBondContact O-CB 3.42Å; A419-Q422 PolarHBondContact O-N 3.26Å; A419-N448 HydrophobicContact CB-CB 4.36Å
420	E	93	Very high	93.9	Very high	96 Å²	96	46.5 Å²	46.5	45%	0.449	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-56.7	-35.8	179.8	-175.2	-176.7	-162.7	0	0	111.7	R190 S191 I192 Q422 E423 A424	R190-E420 WeakPolarHBondContact O-CB 3.5Å; R190-E420 PolarHBondContact O-N 2.82Å; S191-E420 VanDerWaalsContact CA-OE2 3.24Å; S191-E420 WeakPolarHBondContact CA-OE2 3.33Å; I192-E420 HydrophobicContact CD1-CG 4.3Å; I192-E420 HydrophobicContact CG1-CB 4.07Å; I192-E420 HydrophobicContact CG1-CG 3.89Å; I192-E420 PolarHBondContact N-OE2 3.4Å; E420-Q422 PolarHBondContact O-N 3.48Å; E420-E423 CarbonylContact O-C 3.59Å; E420-E423 PolarHBondContact O-N 3.4Å; E420-A424 HydrophobicContact CG-CB 4.19Å; E420-A424 VanDerWaalsContact O-CB 3.28Å; E420-A424 WeakPolarHBondContact O-CB 3.48Å; E420-A424 PolarHBondContact O-N 2.8Å; E420-A424 VanDerWaalsContact O-N 3.09Å
421	M	93	Very high	94	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-58.6	-18.3	176.8	-176.2	175	48.8	0	0	114.1	I192 D195 A419 L426 M429 F446 N448 P450	I192-M421 HydrophobicContact CG1-CB 4.12Å; D195-M421 HydrophobicContact CB-CE 4.49Å; A419-M421 PolarHBondContact O-N 2.64Å; M421-L426 HydrophobicContact CB-CD2 4.4Å; M421-L426 HydrophobicContact CG-CD1 4.18Å; M421-L426 HydrophobicContact CG-CD2 3.71Å; M421-M429 HydrophobicContact CG-SD 4.04Å; M421-M429 HydrophobicContact SD-CE 4.12Å; M421-M429 HydrophobicContact SD-SD 3.5Å; M421-F446 HydrophobicContact CE-CB 4.41Å; M421-F446 HydrophobicContact CE-CD1 3.6Å; M421-F446 HydrophobicContact CE-CE1 4.14Å; M421-F446 HydrophobicContact CE-CG 4.22Å; M421-F446 HydrophobicContact SD-CD1 3.83Å; M421-F446 HydrophobicContact SD-CE1 3.72Å; M421-N448 WeakPolarHBondContact CE-O 3.26Å; M421-P450 HydrophobicContact CG-CB 3.91Å; M421-P450 HydrophobicContact CG-CG 4.41Å; M421-P450 HydrophobicContact SD-CB 4.08Å; M421-P450 HydrophobicContact SD-CG 3.92Å
422	Q	91.1	Very high	94	Very high	91 Å²	91	36.8 Å²	36.8	43%	0.425	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-83.9	-17	175.4	-63.5	-177.5	-42.3	0	0	113	A419 E420	A419-Q422 HydrophobicContact CB-CG 4.28Å; A419-Q422 WeakPolarHBondContact O-CB 3.42Å; A419-Q422 PolarHBondContact O-N 3.26Å; E420-Q422 PolarHBondContact O-N 3.48Å
423	E	91.6	Very high	94	Very high	42 Å²	42	33.5 Å²	33.5	20%	0.196	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	9.7	-171.2	-59.4	-173.4	147.1	0	0	112.5	V365 Y366 E420	V365-E423 CarbonylContact C-O 3.57Å; V365-E423 WeakPolarHBondContact CA-O 3.39Å; V365-E423 HydrophobicContact CG1-CB 4.29Å; Y366-E423 WeakPolarHBondContact CB-O 3.37Å; Y366-E423 PolarHBondContact N-O 2.92Å; E420-E423 CarbonylContact O-C 3.59Å; E420-E423 PolarHBondContact O-N 3.4Å
424	A	93.6	Very high	93.9	Very high	15 Å²	15	35.5 Å²	35.5	12%	0.124	19%	0.193	C	C	.	.	S	Bend	trans	-121.2	164	-174.5	0	0	0	0	0	113.7	I192 Y366 E420	I192-A424 HydrophobicContact CD1-CB 3.6Å; I192-A424 HydrophobicContact CG1-CB 4.46Å; Y366-A424 VanDerWaalsContact CB-C 3.44Å; E420-A424 HydrophobicContact CG-CB 4.19Å; E420-A424 VanDerWaalsContact O-CB 3.28Å; E420-A424 WeakPolarHBondContact O-CB 3.48Å; E420-A424 PolarHBondContact O-N 2.8Å; E420-A424 VanDerWaalsContact O-N 3.09Å
425	N	94.3	Very high	93.8	Very high	55 Å²	55	34.3 Å²	34.3	29%	0.294	18%	0.18	S	C	.	.			trans	-72.4	124.8	168.4	-175.9	-15.4	0	0	0	109	Y366 T427	Y366-N425 HydrophobicContact CD1-CB 4.07Å; Y366-N425 HydrophobicContact CD2-CB 3.83Å; Y366-N425 HydrophobicContact CE1-CB 4.04Å; Y366-N425 HydrophobicContact CE2-CB 3.81Å; Y366-N425 HydrophobicContact CG-CB 3.95Å; N425-T427 WeakPolarHBondContact OD1-CB 3.28Å; N425-T427 PolarHBondContact OD1-N 2.89Å; N425-T427 PolarHBondContact OD1-OG1 3.01Å
426	L	95.8	Very high	93.7	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.153	C	C	.	.			trans	-97.2	3.7	-174.3	-55.2	-174.8	0	0	0	114	I192 M421 S428 M429 V430 P450 L455 A458	I192-L426 HydrophobicContact CD1-CD2 4.29Å; M421-L426 HydrophobicContact CB-CD2 4.4Å; M421-L426 HydrophobicContact CG-CD1 4.18Å; M421-L426 HydrophobicContact CG-CD2 3.71Å; L426-S428 PolarHBondContact O-N 3.18Å; L426-M429 HydrophobicContact CB-CE 4.24Å; L426-M429 HydrophobicContact CD1-CE 4.28Å; L426-M429 HydrophobicContact CD2-SD 4.24Å; L426-M429 WeakPolarHBondContact O-CB 3.34Å; L426-M429 PolarHBondContact O-N 3.3Å; L426-M429 VanDerWaalsContact O-N 3.14Å; L426-V430 HydrophobicContact CB-CG2 4.41Å; L426-V430 WeakPolarHBondContact O-CG2 3.41Å; L426-V430 PolarHBondContact O-N 2.83Å; L426-P450 HydrophobicContact CD1-CB 3.39Å; L426-P450 HydrophobicContact CD1-CG 4.19Å; L426-L455 HydrophobicContact CD1-CD2 4.2Å; L426-A458 HydrophobicContact CB-CB 4.19Å
427	T	96.7	Very high	93.7	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-55.9	-49.7	-173.6	-51	0	0	0	0	112.1	N425 M429 V430 L431 D461 L462 P488	N425-T427 WeakPolarHBondContact OD1-CB 3.28Å; N425-T427 PolarHBondContact OD1-N 2.89Å; N425-T427 PolarHBondContact OD1-OG1 3.01Å; T427-M429 PolarHBondContact O-N 2.51Å; T427-V430 PolarHBondContact O-N 3.4Å; T427-L431 PolarHBondContact O-N 2.75Å; T427-D461 HydrophobicContact CG2-CB 4.03Å; T427-L462 HydrophobicContact CG2-CD2 3.75Å; T427-L462 HydrophobicContact CG2-CG 3.79Å; T427-P488 HydrophobicContact CG2-CB 4.3Å; T427-P488 HydrophobicContact CG2-CG 3.88Å
428	S	95.8	Very high	93.5	Very high	48 Å²	48	34.9 Å²	34.9	34%	0.336	18%	0.179	S	C	.	.	H	α-helix	trans	-66.3	-37.1	178.4	-45	0	0	0	0	112.5	L426 L431 F432 P488	L426-S428 PolarHBondContact O-N 3.18Å; S428-L431 PolarHBondContact O-N 3.16Å; S428-F432 PolarHBondContact O-N 2.78Å; S428-P488 VanDerWaalsContact OG-CD 3.29Å; S428-P488 WeakPolarHBondContact OG-CD 2.99Å
429	M	95.1	Very high	93.2	Very high	13 Å²	13	35 Å²	35	6%	0.064	18%	0.182	C	C	.	.	H	α-helix	trans	-64	-44.3	175.3	-175.5	-157.8	80.9	0	0	111.4	I192 V196 M421 L426 T427 F432 M433 F446 L455	I192-M429 HydrophobicContact CG2-CB 4.04Å; I192-M429 HydrophobicContact CG2-CG 3.75Å; I192-M429 HydrophobicContact CG2-SD 3.65Å; V196-M429 HydrophobicContact CG2-CG 3.82Å; V196-M429 HydrophobicContact CG2-SD 3.85Å; M421-M429 HydrophobicContact CG-SD 4.04Å; M421-M429 HydrophobicContact SD-CE 4.12Å; M421-M429 HydrophobicContact SD-SD 3.5Å; L426-M429 HydrophobicContact CB-CE 4.24Å; L426-M429 HydrophobicContact CD1-CE 4.28Å; L426-M429 HydrophobicContact CD2-SD 4.24Å; L426-M429 WeakPolarHBondContact O-CB 3.34Å; L426-M429 PolarHBondContact O-N 3.3Å; L426-M429 VanDerWaalsContact O-N 3.14Å; T427-M429 PolarHBondContact O-N 2.51Å; M429-F432 PolarHBondContact O-N 2.96Å; M429-M433 HydrophobicContact CG-CG 4.47Å; M429-M433 WeakPolarHBondContact O-CB 3.37Å; M429-M433 VanDerWaalsContact O-CG 3.29Å; M429-M433 WeakPolarHBondContact O-CG 3.43Å; M429-M433 PolarHBondContact O-N 3.47Å; M429-F446 HydrophobicContact CE-CZ 4.37Å; M429-F446 HydrophobicContact SD-CE1 4.46Å; M429-L455 HydrophobicContact CE-CD2 4.09Å
430	V	95.8	Very high	92.8	Very high	11 Å²	11	37.9 Å²	37.9	7%	0.067	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-39.4	179	173.3	0	0	0	0	110.9	L426 T427 M433 K434 L455 A458 L459 L462	L426-V430 HydrophobicContact CB-CG2 4.41Å; L426-V430 WeakPolarHBondContact O-CG2 3.41Å; L426-V430 PolarHBondContact O-N 2.83Å; T427-V430 PolarHBondContact O-N 3.4Å; V430-M433 PolarHBondContact O-N 3.38Å; V430-K434 HydrophobicContact CG1-CG 4.45Å; V430-K434 WeakPolarHBondContact O-CB 3.29Å; V430-K434 WeakPolarHBondContact O-CG 3.31Å; V430-K434 PolarHBondContact O-N 2.9Å; V430-L455 HydrophobicContact CG2-CD2 3.92Å; V430-A458 HydrophobicContact CB-CB 4.2Å; V430-A458 HydrophobicContact CG2-CB 3.73Å; V430-L459 HydrophobicContact CG1-CD2 3.61Å; V430-L459 HydrophobicContact CG1-CG 4.1Å; V430-L462 HydrophobicContact CB-CD1 4.06Å; V430-L462 HydrophobicContact CG1-CD1 3.73Å
431	L	96.2	Very high	92.3	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-59	-48	173.6	-179.7	59.2	0	0	0	111.3	T427 S428 K434 R435 L462 L474 M481 P488	T427-L431 PolarHBondContact O-N 2.75Å; S428-L431 PolarHBondContact O-N 3.16Å; L431-K434 PolarHBondContact O-N 3.49Å; L431-R435 PolarHBondContact O-N 3.38Å; L431-L462 HydrophobicContact CB-CD1 4.08Å; L431-L462 HydrophobicContact CB-CD2 4.07Å; L431-L462 HydrophobicContact CD1-CD2 4.32Å; L431-L462 HydrophobicContact CD2-CD2 4.49Å; L431-L474 HydrophobicContact CD1-CD2 3.55Å; L431-M481 HydrophobicContact CD2-CB 4.18Å; L431-P488 HydrophobicContact CD2-CB 4.42Å; L431-P488 HydrophobicContact CD2-CG 3.94Å
432	F	95	Very high	91.3	Very high	9 Å²	9	35 Å²	35	4%	0.039	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-48.4	175.1	169.2	-109.2	0	0	0	112.3	Q167 M170 M171 V196 L200 S428 M429 K434 R435 I436	Q167-F432 HydrophobicContact CB-CE1 4.18Å; Q167-F432 HydrophobicContact CB-CE2 4.05Å; Q167-F432 HydrophobicContact CB-CZ 3.73Å; Q167-F432 HydrophobicContact CG-CE1 4.13Å; Q167-F432 HydrophobicContact CG-CZ 4.05Å; Q167-F432 WeakPolarHBondContact O-CE2 3.21Å; M170-F432 HydrophobicContact CB-CZ 4.45Å; M171-F432 HydrophobicContact CE-CD2 3.66Å; M171-F432 HydrophobicContact CE-CE2 4.24Å; M171-F432 HydrophobicContact CG-CD2 3.81Å; M171-F432 HydrophobicContact CG-CE2 3.76Å; M171-F432 HydrophobicContact SD-CD2 4.1Å; V196-F432 HydrophobicContact CG1-CD1 4.21Å; V196-F432 HydrophobicContact CG1-CE1 3.75Å; L200-F432 HydrophobicContact CD1-CE1 3.66Å; L200-F432 HydrophobicContact CD1-CZ 3.97Å; S428-F432 PolarHBondContact O-N 2.78Å; M429-F432 PolarHBondContact O-N 2.96Å; F432-K434 VanDerWaalsContact C-N 3.28Å; F432-K434 PolarHBondContact O-N 3.2Å; F432-R435 WeakPolarHBondContact O-CA 3.37Å; F432-R435 WeakPolarHBondContact O-CB 3.48Å; F432-R435 PolarHBondContact O-N 2.61Å; F432-I436 HydrophobicContact CD2-CG1 3.9Å; F432-I436 HydrophobicContact CE1-CG1 4.06Å; F432-I436 HydrophobicContact CE2-CD1 3.75Å; F432-I436 HydrophobicContact CE2-CG1 3.35Å; F432-I436 HydrophobicContact CG-CG1 4.47Å; F432-I436 HydrophobicContact CZ-CD1 3.99Å; F432-I436 HydrophobicContact CZ-CG1 3.46Å; F432-I436 VanDerWaalsContact CZ-CG1 3.46Å; F432-I436 WeakPolarHBondContact O-CG1 3.48Å; F432-I436 PolarHBondContact O-N 2.96Å
433	M	93.8	Very high	90.7	Very high	25 Å²	25	36.7 Å²	36.7	12%	0.123	22%	0.215	C	C	.	.	H	α-helix	trans	-58.1	-41.6	178.8	-78.7	-58.5	-47.4	0	0	112	V196 L200 M429 V430 R435 I436 D437 C444 F446	V196-M433 HydrophobicContact CG1-SD 3.91Å; L200-M433 HydrophobicContact CD1-SD 4.37Å; L200-M433 HydrophobicContact CD2-CE 4.09Å; L200-M433 HydrophobicContact CD2-SD 4.26Å; M429-M433 HydrophobicContact CG-CG 4.47Å; M429-M433 WeakPolarHBondContact O-CB 3.37Å; M429-M433 VanDerWaalsContact O-CG 3.29Å; M429-M433 WeakPolarHBondContact O-CG 3.43Å; M429-M433 PolarHBondContact O-N 3.47Å; V430-M433 PolarHBondContact O-N 3.38Å; M433-R435 VanDerWaalsContact C-N 3.34Å; M433-I436 PolarHBondContact O-N 2.72Å; M433-D437 WeakPolarHBondContact O-CB 3.49Å; M433-D437 PolarHBondContact O-N 3.39Å; M433-C444 HydrophobicContact CE-CB 3.29Å; M433-C444 HydrophobicContact SD-CB 3.89Å; M433-F446 HydrophobicContact SD-CZ 4.49Å
434	K	94.1	Very high	90.6	Very high	50 Å²	50	35.2 Å²	35.2	22%	0.217	21%	0.209	C	C	.	.	H	α-helix	trans	-66.5	-34.8	175	-74.6	-74.8	-176.4	174.5	0	112.6	V430 L431 F432 D437 L468 G472 L474	V430-K434 HydrophobicContact CG1-CG 4.45Å; V430-K434 WeakPolarHBondContact O-CB 3.29Å; V430-K434 WeakPolarHBondContact O-CG 3.31Å; V430-K434 PolarHBondContact O-N 2.9Å; L431-K434 PolarHBondContact O-N 3.49Å; F432-K434 VanDerWaalsContact C-N 3.28Å; F432-K434 PolarHBondContact O-N 3.2Å; K434-D437 PolarHBondContact O-N 3.12Å; K434-L468 HydrophobicContact CG-CD2 4.42Å; K434-G472 WeakPolarHBondContact CE-O 3.45Å; K434-G472 PolarHBondContact NZ-O 2.94Å; K434-L474 HydrophobicContact CB-CD1 3.86Å; K434-L474 HydrophobicContact CB-CD2 3.97Å; K434-L474 HydrophobicContact CB-CG 3.72Å; K434-L474 WeakPolarHBondContact O-CD1 3.43Å
435	R	93.3	Very high	90.5	Very high	53 Å²	53	37 Å²	37	20%	0.2	22%	0.217	C	C	.	.	H	α-helix	trans	-65.7	-43.3	175.8	179.3	60.3	165.1	167.9	-4.1	111.2	M171 L431 F432 M433 I438 L474 I479 S482 E483	M171-R435 HydrophobicContact CB-CG 4.4Å; M171-R435 HydrophobicContact CG-CG 4.37Å; M171-R435 HydrophobicContact SD-CG 4.36Å; L431-R435 PolarHBondContact O-N 3.38Å; F432-R435 WeakPolarHBondContact O-CA 3.37Å; F432-R435 WeakPolarHBondContact O-CB 3.48Å; F432-R435 PolarHBondContact O-N 2.61Å; M433-R435 VanDerWaalsContact C-N 3.34Å; R435-I438 WeakPolarHBondContact O-CB 3.41Å; R435-I438 PolarHBondContact O-N 2.87Å; R435-L474 VanDerWaalsContact CA-CD1 3.41Å; R435-L474 HydrophobicContact CB-CD1 3.97Å; R435-L474 VanDerWaalsContact N-CD1 3.3Å; R435-I479 VanDerWaalsContact NH1-CG2 3.3Å; R435-S482 WeakPolarHBondContact CD-OG 3.48Å; R435-S482 PolarHBondContact NE-OG 2.76Å; R435-E483 IonicContact CZ-OE1 3.76Å; R435-E483 IonicContact NE-OE1 3.57Å; R435-E483 IonicContact NH2-OE1 2.78Å; R435-E483 PolarHBondContact NH2-OE1 2.71Å
436	I	92.4	Very high	90.3	Very high	1 Å²	1	36 Å²	36	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-71.6	-29.7	178.9	-70.2	-63.3	0	0	0	112.6	M170 L200 F432 M433 I438 A439 L441	M170-I436 HydrophobicContact CB-CD1 3.81Å; M170-I436 WeakPolarHBondContact O-CD1 3.44Å; L200-I436 HydrophobicContact CD1-CG2 4.16Å; L200-I436 HydrophobicContact CD2-CG2 3.94Å; F432-I436 HydrophobicContact CD2-CG1 3.9Å; F432-I436 HydrophobicContact CE1-CG1 4.06Å; F432-I436 HydrophobicContact CE2-CD1 3.75Å; F432-I436 HydrophobicContact CE2-CG1 3.35Å; F432-I436 HydrophobicContact CG-CG1 4.47Å; F432-I436 HydrophobicContact CZ-CD1 3.99Å; F432-I436 HydrophobicContact CZ-CG1 3.46Å; F432-I436 VanDerWaalsContact CZ-CG1 3.46Å; F432-I436 WeakPolarHBondContact O-CG1 3.48Å; F432-I436 PolarHBondContact O-N 2.96Å; M433-I436 PolarHBondContact O-N 2.72Å; I436-I438 VanDerWaalsContact C-N 3.27Å; I436-I438 PolarHBondContact O-N 2.9Å; I436-A439 WeakPolarHBondContact O-CA 3.47Å; I436-A439 WeakPolarHBondContact O-CB 3.26Å; I436-A439 PolarHBondContact O-N 2.95Å; I436-L441 HydrophobicContact CG2-CB 3.4Å; I436-L441 VanDerWaalsContact CG2-CB 3.4Å; I436-L441 HydrophobicContact CG2-CD1 4.11Å; I436-L441 HydrophobicContact CG2-CG 4.37Å; I436-L441 PolarHBondContact O-N 2.91Å
437	D	91.7	Very high	90.1	Very high	75 Å²	75	37 Å²	37	40%	0.401	22%	0.215	S	C	.	.	H	α-helix	trans	-59.6	-37	173.4	-169.6	20.9	0	0	0	112.2	M433 K434 A439 G440 G442	M433-D437 WeakPolarHBondContact O-CB 3.49Å; M433-D437 PolarHBondContact O-N 3.39Å; K434-D437 PolarHBondContact O-N 3.12Å; D437-A439 PolarHBondContact O-N 3.04Å; D437-G440 PolarHBondContact O-N 3.2Å; D437-G442 WeakPolarHBondContact OD1-CA 3.36Å
438	I	88.3	Confident	89.6	Confident	104 Å²	104	38.7 Å²	38.7	53%	0.533	22%	0.224	S	C	.	.	H	α-helix	trans	-58.9	-32.2	174	-59.3	164.9	0	0	0	111.4	R435 I436 G440 L474 I479	R435-I438 WeakPolarHBondContact O-CB 3.41Å; R435-I438 PolarHBondContact O-N 2.87Å; I436-I438 VanDerWaalsContact C-N 3.27Å; I436-I438 PolarHBondContact O-N 2.9Å; I438-G440 PolarHBondContact O-N 3.18Å; I438-L474 HydrophobicContact CD1-CB 4.24Å; I438-L474 HydrophobicContact CD1-CD1 3.7Å; I438-I479 HydrophobicContact CD1-CD1 4.44Å; I438-I479 HydrophobicContact CD1-CG1 4.24Å
439	A	83.3	Confident	89.3	Confident	35 Å²	35	44.8 Å²	44.8	29%	0.289	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	1.7	176.8	0	0	0	0	0	114	P174 I436 D437	P174-A439 HydrophobicContact CB-CB 3.68Å; P174-A439 HydrophobicContact CG-CB 3.41Å; P174-A439 VanDerWaalsContact CG-CB 3.41Å; I436-A439 WeakPolarHBondContact O-CA 3.47Å; I436-A439 WeakPolarHBondContact O-CB 3.26Å; I436-A439 PolarHBondContact O-N 2.95Å; D437-A439 PolarHBondContact O-N 3.04Å
440	G	84.9	Confident	89	Confident	62 Å²	62	44.6 Å²	44.6	64%	0.639	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.4	10.7	179	0	0	0	0	0	114.9	D437 I438	D437-G440 PolarHBondContact O-N 3.2Å; I438-G440 PolarHBondContact O-N 3.18Å
441	L	83.6	Confident	88.8	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.016	25%	0.254	C	S	.	.			trans	-104.6	41.7	177.7	-65.9	176.6	0	0	0	111.3	M170 P174 F175 L200 D203 V204 I436 H443	M170-L441 HydrophobicContact CE-CD1 4.1Å; P174-L441 HydrophobicContact CB-CD1 3.89Å; P174-L441 WeakPolarHBondContact O-CD1 3.39Å; F175-L441 HydrophobicContact CE1-CD2 4.05Å; L200-L441 HydrophobicContact CD2-CB 4.41Å; L200-L441 WeakPolarHBondContact CD2-O 3.47Å; D203-L441 HydrophobicContact CB-CD2 3.59Å; V204-L441 HydrophobicContact CG2-CD1 3.99Å; V204-L441 HydrophobicContact CG2-CD2 4.24Å; I436-L441 HydrophobicContact CG2-CB 3.4Å; I436-L441 VanDerWaalsContact CG2-CB 3.4Å; I436-L441 HydrophobicContact CG2-CD1 4.11Å; I436-L441 HydrophobicContact CG2-CG 4.37Å; I436-L441 PolarHBondContact O-N 2.91Å; L441-H443 PolarHBondContact O-N 2.96Å
442	G	70.4	Confident	88.6	Confident	32 Å²	32	50.1 Å²	50.1	33%	0.33	28%	0.28	S	S	.	.			trans	-72.2	-20.6	-171	0	0	0	0	0	116.4	D437 C444	D437-G442 WeakPolarHBondContact OD1-CA 3.36Å; G442-C444 PolarHBondContact O-N 3.48Å
443	H	79.9	Confident	88.6	Confident	128 Å²	128	53.6 Å²	53.6	59%	0.593	30%	0.296	S	S	*	.			trans	-101.5	74.8	-174.3	-165.8	69.7	0	0	0	112.4	L441 D445	L441-H443 PolarHBondContact O-N 2.96Å; H443-D445 PolarHBondContact O-N 3.31Å; H443-D445 VanDerWaalsContact O-N 3.09Å
444	C	88.3	Confident	88.6	Confident	11 Å²	11	52.9 Å²	52.9	7%	0.074	29%	0.293	C	S	.	.			trans	-69.4	109.6	171.5	179.3	0	0	0	0	111.1	L200 M433 G442 F446	L200-C444 HydrophobicContact CD2-CB 3.91Å; L200-C444 HydrophobicContact CG-CB 4.38Å; M433-C444 HydrophobicContact CE-CB 3.29Å; M433-C444 HydrophobicContact SD-CB 3.89Å; G442-C444 PolarHBondContact O-N 3.48Å; C444-F446 HydrophobicContact CB-CE1 4.43Å; C444-F446 HydrophobicContact CB-CE2 3.99Å; C444-F446 HydrophobicContact CB-CZ 3.95Å; C444-F446 VanDerWaalsContact O-CD2 3.27Å; C444-F446 WeakPolarHBondContact O-CD2 3.32Å; C444-F446 PolarHBondContact O-N 3.45Å; C444-F446 VanDerWaalsContact O-N 3.08Å; C444-F446 WeakPolarHBondContact SG-CE1 3.49Å
445	D	91.3	Very high	88.6	Confident	51 Å²	51	53.2 Å²	53.2	27%	0.273	30%	0.297	S	S	.	.			trans	-76.7	87.5	174	179.1	30.1	0	0	0	110.2	G199 K202 Y228 H443 M447	G199-D445 WeakPolarHBondContact CA-O 3.43Å; K202-D445 HydrophobicContact CD-CB 4.27Å; K202-D445 IonicContact NZ-OD2 2.85Å; K202-D445 PolarHBondContact NZ-OD2 2.99Å; Y228-D445 VanDerWaalsContact CE2-O 3.26Å; Y228-D445 WeakPolarHBondContact CE2-O 3.48Å; Y228-D445 WeakPolarHBondContact CE2-OD2 3.2Å; Y228-D445 PolarHBondContact OH-O 3.23Å; H443-D445 PolarHBondContact O-N 3.31Å; H443-D445 VanDerWaalsContact O-N 3.09Å; D445-M447 PolarHBondContact O-N 2.8Å
446	F	91.4	Very high	88.6	Confident	35 Å²	35	56.8 Å²	56.8	15%	0.154	32%	0.318	C	S	.	.			trans	-68.4	132.9	-177.5	-63.4	-81.5	0	0	0	113.6	V196 M421 M429 M433 C444 N448 R449	V196-F446 HydrophobicContact CG2-CE1 3.78Å; M421-F446 HydrophobicContact CE-CB 4.41Å; M421-F446 HydrophobicContact CE-CD1 3.6Å; M421-F446 HydrophobicContact CE-CE1 4.14Å; M421-F446 HydrophobicContact CE-CG 4.22Å; M421-F446 HydrophobicContact SD-CD1 3.83Å; M421-F446 HydrophobicContact SD-CE1 3.72Å; M429-F446 HydrophobicContact CE-CZ 4.37Å; M429-F446 HydrophobicContact SD-CE1 4.46Å; M433-F446 HydrophobicContact SD-CZ 4.49Å; C444-F446 HydrophobicContact CB-CE1 4.43Å; C444-F446 HydrophobicContact CB-CE2 3.99Å; C444-F446 HydrophobicContact CB-CZ 3.95Å; C444-F446 VanDerWaalsContact O-CD2 3.27Å; C444-F446 WeakPolarHBondContact O-CD2 3.32Å; C444-F446 PolarHBondContact O-N 3.45Å; C444-F446 VanDerWaalsContact O-N 3.08Å; C444-F446 WeakPolarHBondContact SG-CE1 3.49Å; F446-N448 VanDerWaalsContact C-N 3.27Å; F446-N448 PolarHBondContact O-N 2.96Å; F446-R449 HydrophobicContact CB-CG 4.24Å
447	M	90.3	Very high	88.8	Confident	22 Å²	22	57.1 Å²	57.1	11%	0.108	32%	0.319	C	S	.	.	S	Bend	trans	-59.7	-38.4	170	-173.4	-169.2	-65.8	0	0	112.1	L198 K224 L225 Y228 D445	L198-M447 HydrophobicContact CD1-CE 3.96Å; K224-M447 HydrophobicContact CD-SD 3.9Å; K224-M447 HydrophobicContact CG-CG 4.33Å; K224-M447 HydrophobicContact CG-SD 3.87Å; L225-M447 HydrophobicContact CD2-CE 3.53Å; L225-M447 HydrophobicContact CG-CE 4.35Å; Y228-M447 HydrophobicContact CD1-CB 4.28Å; Y228-M447 HydrophobicContact CD1-CE 3.78Å; Y228-M447 HydrophobicContact CD1-CG 4.32Å; Y228-M447 HydrophobicContact CD2-CB 4.01Å; Y228-M447 HydrophobicContact CD2-CG 4.18Å; Y228-M447 HydrophobicContact CE1-CB 4.32Å; Y228-M447 HydrophobicContact CE1-CE 4.31Å; Y228-M447 HydrophobicContact CE2-CB 4.05Å; Y228-M447 HydrophobicContact CG-CB 4.13Å; Y228-M447 HydrophobicContact CG-CE 4.27Å; Y228-M447 HydrophobicContact CG-CG 3.97Å; D445-M447 PolarHBondContact O-N 2.8Å
448	N	86.9	Confident	89	Confident	37 Å²	37	53.5 Å²	53.5	20%	0.198	30%	0.3	C	S	.	.	S	Bend	trans	-127.4	116.9	167.1	-76.7	106.6	0	0	0	109	R190 K224 A419 M421 F446	R190-N448 PolarHBondContact NH1-OD1 3.26Å; R190-N448 PolarHBondContact NH2-OD1 2.84Å; K224-N448 WeakPolarHBondContact CE-OD1 3.49Å; K224-N448 PolarHBondContact NZ-OD1 2.92Å; A419-N448 HydrophobicContact CB-CB 4.36Å; M421-N448 WeakPolarHBondContact CE-O 3.26Å; F446-N448 VanDerWaalsContact C-N 3.27Å; F446-N448 PolarHBondContact O-N 2.96Å
449	R	88.7	Confident	89.4	Confident	176 Å²	176	51.7 Å²	51.7	66%	0.664	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-68.9	137.8	177.8	-66	-177.6	-179.6	-154.4	-2.9	110.7	F446	F446-R449 HydrophobicContact CB-CG 4.24Å
450	P	90.1	Very high	89.9	Confident	9 Å²	9	53 Å²	53	6%	0.058	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-62.8	157.4	170.7	23.3	-29.7	0	0	0	111	M421 L426 L455	M421-P450 HydrophobicContact CG-CB 3.91Å; M421-P450 HydrophobicContact CG-CG 4.41Å; M421-P450 HydrophobicContact SD-CB 4.08Å; M421-P450 HydrophobicContact SD-CG 3.92Å; L426-P450 HydrophobicContact CD1-CB 3.39Å; L426-P450 HydrophobicContact CD1-CG 4.19Å; P450-L455 HydrophobicContact CB-CD2 4.29Å; P450-L455 HydrophobicContact CB-CG 4.13Å; P450-L455 HydrophobicContact CG-CD1 3.78Å; P450-L455 HydrophobicContact CG-CD2 3.67Å; P450-L455 HydrophobicContact CG-CG 3.69Å
451	A	90.8	Very high	90.4	Very high	45 Å²	45	50.3 Å²	50.3	37%	0.372	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-61.8	135.4	174.1	0	0	0	0	0	110	E453 S454 L455	A451-E453 PolarHBondContact O-N 2.65Å; A451-S454 PolarHBondContact O-N 2.86Å; A451-L455 PolarHBondContact O-N 2.8Å
452	P	92.6	Very high	91.1	Very high	90 Å²	90	50.1 Å²	50.1	58%	0.584	26%	0.261	S	S	*	.	H	α-helix	trans	-55.9	-36.4	178.7	-27.4	34.8	0	0	0	113.2	S454 L455 M456	P452-S454 PolarHBondContact O-N 2.92Å; P452-L455 PolarHBondContact O-N 2.69Å; P452-M456 HydrophobicContact CB-CE 4.31Å; P452-M456 VanDerWaalsContact O-CG 3.29Å; P452-M456 WeakPolarHBondContact O-CG 3.26Å; P452-M456 PolarHBondContact O-N 3.11Å
453	E	94.1	Very high	92.4	Very high	81 Å²	81	51.4 Å²	51.4	38%	0.379	26%	0.26	S	S	.	.	H	α-helix	trans	-60.6	-42.4	176.7	-174.1	171	-165.4	0	0	112	P368 R369 A451 M456 Q457	P368-E453 HydrophobicContact CB-CG 4.3Å; P368-E453 HydrophobicContact CG-CG 3.86Å; R369-E453 WeakPolarHBondContact CD-OE1 3.39Å; R369-E453 WeakPolarHBondContact CG-OE1 3.48Å; R369-E453 IonicContact CZ-OE1 3.81Å; R369-E453 IonicContact CZ-OE2 3.35Å; R369-E453 IonicContact NE-OE1 3.04Å; R369-E453 PolarHBondContact NE-OE1 2.98Å; R369-E453 IonicContact NE-OE2 2.88Å; R369-E453 IonicContact NH2-OE1 3.93Å; R369-E453 IonicContact NH2-OE2 2.76Å; R369-E453 PolarHBondContact NH2-OE2 2.88Å; A451-E453 PolarHBondContact O-N 2.65Å; E453-M456 PolarHBondContact O-N 3Å; E453-Q457 WeakPolarHBondContact O-CB 3.34Å; E453-Q457 PolarHBondContact O-N 3.05Å
454	S	94.8	Very high	93.1	Very high	10 Å²	10	45.8 Å²	45.8	7%	0.07	23%	0.234	C	C	.	.	H	α-helix	trans	-67.5	-38.2	177.4	-54.5	0	0	0	0	112.4	A451 P452 A458	A451-S454 PolarHBondContact O-N 2.86Å; P452-S454 PolarHBondContact O-N 2.92Å; S454-A458 WeakPolarHBondContact O-CB 3.37Å; S454-A458 PolarHBondContact O-N 2.83Å
455	L	93.8	Very high	93.5	Very high	57 Å²	57	45.3 Å²	45.3	30%	0.298	23%	0.231	S	C	.	.	H	α-helix	trans	-66.6	-45.2	175	-74.1	179.5	0	0	0	112.2	L426 M429 V430 P450 A451 P452 Q457 A458 L459	L426-L455 HydrophobicContact CD1-CD2 4.2Å; M429-L455 HydrophobicContact CE-CD2 4.09Å; V430-L455 HydrophobicContact CG2-CD2 3.92Å; P450-L455 HydrophobicContact CB-CD2 4.29Å; P450-L455 HydrophobicContact CB-CG 4.13Å; P450-L455 HydrophobicContact CG-CD1 3.78Å; P450-L455 HydrophobicContact CG-CD2 3.67Å; P450-L455 HydrophobicContact CG-CG 3.69Å; A451-L455 PolarHBondContact O-N 2.8Å; P452-L455 PolarHBondContact O-N 2.69Å; L455-Q457 VanDerWaalsContact C-N 3.31Å; L455-Q457 PolarHBondContact O-N 3.06Å; L455-A458 PolarHBondContact O-N 2.83Å; L455-L459 WeakPolarHBondContact O-CG 3.27Å; L455-L459 PolarHBondContact O-N 2.86Å
456	M	94.3	Very high	93.8	Very high	128 Å²	128	44.8 Å²	44.8	63%	0.631	23%	0.234	S	C	*	.	H	α-helix	trans	-61.3	-42.9	177.8	-71.8	176.5	-164.6	0	0	110.9	P452 E453 L459 E460	P452-M456 HydrophobicContact CB-CE 4.31Å; P452-M456 VanDerWaalsContact O-CG 3.29Å; P452-M456 WeakPolarHBondContact O-CG 3.26Å; P452-M456 PolarHBondContact O-N 3.11Å; E453-M456 PolarHBondContact O-N 3Å; M456-L459 PolarHBondContact O-N 3.21Å; M456-E460 WeakPolarHBondContact O-CB 3.27Å; M456-E460 PolarHBondContact O-N 3.17Å
457	Q	95.1	Very high	94.1	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-43.5	177.1	-175.1	-82.4	-59.3	0	0	112	Y366 P368 R371 E453 L455 E460 D461	Y366-Q457 VanDerWaalsContact OH-CD 3.24Å; Y366-Q457 PolarHBondContact OH-NE2 3.2Å; Y366-Q457 PolarHBondContact OH-OE1 2.69Å; P368-Q457 HydrophobicContact CB-CB 3.96Å; P368-Q457 HydrophobicContact CB-CG 4.05Å; R371-Q457 HydrophobicContact CG-CG 4.01Å; E453-Q457 WeakPolarHBondContact O-CB 3.34Å; E453-Q457 PolarHBondContact O-N 3.05Å; L455-Q457 VanDerWaalsContact C-N 3.31Å; L455-Q457 PolarHBondContact O-N 3.06Å; Q457-E460 PolarHBondContact O-N 3.25Å; Q457-D461 PolarHBondContact NE2-OD1 2.64Å; Q457-D461 PolarHBondContact NE2-OD2 3.04Å; Q457-D461 PolarHBondContact O-N 3.07Å
458	A	96.6	Very high	94.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.7	-41.7	176.1	0	0	0	0	0	112.6	L426 V430 S454 L455 D461 L462	L426-A458 HydrophobicContact CB-CB 4.19Å; V430-A458 HydrophobicContact CB-CB 4.2Å; V430-A458 HydrophobicContact CG2-CB 3.73Å; S454-A458 WeakPolarHBondContact O-CB 3.37Å; S454-A458 PolarHBondContact O-N 2.83Å; L455-A458 PolarHBondContact O-N 2.83Å; A458-D461 PolarHBondContact O-N 2.82Å; A458-L462 WeakPolarHBondContact O-CG 3.32Å; A458-L462 PolarHBondContact O-N 3.05Å; A458-L462 VanDerWaalsContact O-N 3.09Å
459	L	95.9	Very high	94.8	Very high	66 Å²	66	43.6 Å²	43.6	35%	0.346	23%	0.229	S	C	.	.	H	α-helix	trans	-64.3	-41.2	174.7	-72.8	167.4	0	0	0	111.7	V430 L455 M456 L462 D463 L468	V430-L459 HydrophobicContact CG1-CD2 3.61Å; V430-L459 HydrophobicContact CG1-CG 4.1Å; L455-L459 WeakPolarHBondContact O-CG 3.27Å; L455-L459 PolarHBondContact O-N 2.86Å; M456-L459 PolarHBondContact O-N 3.21Å; L459-L462 PolarHBondContact O-N 3.36Å; L459-D463 WeakPolarHBondContact O-CB 3.42Å; L459-D463 PolarHBondContact O-N 3.27Å; L459-L468 HydrophobicContact CD2-CD1 3.89Å
460	E	94.9	Very high	94.8	Very high	63 Å²	63	42.9 Å²	42.9	29%	0.294	24%	0.239	S	C	.	.	H	α-helix	trans	-62.6	-43.6	176.9	-164.2	-163.3	163.5	0	0	111.6	R371 M456 Q457 D463 Y464	R371-E460 IonicContact CZ-OE2 3.59Å; R371-E460 IonicContact NH2-OE1 2.99Å; R371-E460 PolarHBondContact NH2-OE1 2.99Å; R371-E460 IonicContact NH2-OE2 2.89Å; R371-E460 PolarHBondContact NH2-OE2 2.74Å; M456-E460 WeakPolarHBondContact O-CB 3.27Å; M456-E460 PolarHBondContact O-N 3.17Å; Q457-E460 PolarHBondContact O-N 3.25Å; E460-D463 PolarHBondContact O-N 3.17Å; E460-Y464 HydrophobicContact CG-CD2 4.19Å; E460-Y464 HydrophobicContact CG-CE2 3.53Å; E460-Y464 WeakPolarHBondContact O-CD2 3.42Å; E460-Y464 PolarHBondContact O-N 3.36Å; E460-Y464 WeakPolarHBondContact OE1-CE2 3.1Å; E460-Y464 PolarHBondContact OE1-OH 3.34Å
461	D	95.6	Very high	94.9	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-42.3	175.8	-82.5	14.8	0	0	0	111.9	R371 T427 Q457 A458 Y464 L465 M626	R371-D461 IonicContact CZ-OD1 3.85Å; R371-D461 VanDerWaalsContact CZ-OD1 3.28Å; R371-D461 IonicContact NE-OD1 2.62Å; R371-D461 IonicContact NH1-OD1 3.96Å; R371-D461 PolarHBondContact NH1-OD1 2.61Å; T427-D461 HydrophobicContact CG2-CB 4.03Å; Q457-D461 PolarHBondContact NE2-OD1 2.64Å; Q457-D461 PolarHBondContact NE2-OD2 3.04Å; Q457-D461 PolarHBondContact O-N 3.07Å; A458-D461 PolarHBondContact O-N 2.82Å; D461-Y464 PolarHBondContact O-N 3.4Å; D461-L465 VanDerWaalsContact O-CG 3.27Å; D461-L465 WeakPolarHBondContact O-CG 3.45Å; D461-L465 PolarHBondContact O-N 2.86Å; D461-M626 HydrophobicContact CB-CE 4.33Å
462	L	97.7	Very high	94.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.9	-36.8	177.4	-70.1	174.4	0	0	0	112.4	T427 V430 L431 A458 L459 L465 A466 A467 L468 P488	T427-L462 HydrophobicContact CG2-CD2 3.75Å; T427-L462 HydrophobicContact CG2-CG 3.79Å; V430-L462 HydrophobicContact CB-CD1 4.06Å; V430-L462 HydrophobicContact CG1-CD1 3.73Å; L431-L462 HydrophobicContact CB-CD1 4.08Å; L431-L462 HydrophobicContact CB-CD2 4.07Å; L431-L462 HydrophobicContact CD1-CD2 4.32Å; L431-L462 HydrophobicContact CD2-CD2 4.49Å; A458-L462 WeakPolarHBondContact O-CG 3.32Å; A458-L462 PolarHBondContact O-N 3.05Å; A458-L462 VanDerWaalsContact O-N 3.09Å; L459-L462 PolarHBondContact O-N 3.36Å; L462-L465 PolarHBondContact O-N 3.03Å; L462-A466 PolarHBondContact O-N 2.87Å; L462-A467 HydrophobicContact CB-CB 4.12Å; L462-A467 HydrophobicContact CD2-CB 3.94Å; L462-A467 WeakPolarHBondContact O-CB 3.38Å; L462-A467 PolarHBondContact O-N 3.22Å; L462-L468 HydrophobicContact CB-CD1 3.94Å; L462-L468 HydrophobicContact CB-CG 3.89Å; L462-P488 HydrophobicContact CD2-CB 3.97Å; L462-P488 HydrophobicContact CD2-CG 4.05Å
463	D	96.5	Very high	94.9	Very high	58 Å²	58	47.7 Å²	47.7	31%	0.31	26%	0.258	S	S	.	.	H	α-helix	trans	-62	-47.8	172.4	-178.8	62.6	0	0	0	111	L459 E460 L465 A466	L459-D463 WeakPolarHBondContact O-CB 3.42Å; L459-D463 PolarHBondContact O-N 3.27Å; E460-D463 PolarHBondContact O-N 3.17Å; D463-L465 VanDerWaalsContact C-N 3.26Å; D463-L465 PolarHBondContact O-N 3.4Å; D463-A466 WeakPolarHBondContact O-CA 3.32Å; D463-A466 PolarHBondContact O-N 3.44Å
464	Y	95.9	Very high	95	Very high	10 Å²	10	44.8 Å²	44.8	4%	0.039	25%	0.245	C	C	.	.	H	α-helix	trans	-59.6	-35.3	175.8	-69.9	-40.8	0	0	0	113.2	E460 D461 A466 F625 M626 Y696 Y697 N700	E460-Y464 HydrophobicContact CG-CD2 4.19Å; E460-Y464 HydrophobicContact CG-CE2 3.53Å; E460-Y464 WeakPolarHBondContact O-CD2 3.42Å; E460-Y464 PolarHBondContact O-N 3.36Å; E460-Y464 WeakPolarHBondContact OE1-CE2 3.1Å; E460-Y464 PolarHBondContact OE1-OH 3.34Å; D461-Y464 PolarHBondContact O-N 3.4Å; Y464-A466 PolarHBondContact O-N 3.23Å; Y464-F625 WeakPolarHBondContact O-CZ 3.4Å; Y464-M626 HydrophobicContact CD2-SD 3.98Å; Y464-Y696 AromaticContact CD1-CD1 3.89Å; Y464-Y696 HydrophobicContact CD1-CD1 3.89Å; Y464-Y696 HydrophobicContact CD1-CE1 4.39Å; Y464-Y696 AromaticContact CE1-CD1 3.41Å; Y464-Y696 HydrophobicContact CE1-CD1 3.41Å; Y464-Y696 VanDerWaalsContact CE1-CD1 3.41Å; Y464-Y696 AromaticContact CE1-CE1 3.69Å; Y464-Y696 HydrophobicContact CE1-CE1 3.69Å; Y464-Y696 HydrophobicContact CE1-CG 4.24Å; Y464-Y697 HydrophobicContact CD1-CD2 4.33Å; Y464-Y697 HydrophobicContact CD1-CG 4.46Å; Y464-Y697 AromaticContact CD2-CD2 3.9Å; Y464-Y697 HydrophobicContact CD2-CD2 3.9Å; Y464-Y697 VanDerWaalsContact CE1-CA 3.4Å; Y464-Y697 HydrophobicContact CE1-CD2 4.27Å; Y464-Y697 HydrophobicContact CE1-CG 4.5Å; Y464-Y697 AromaticContact CE2-CD2 3.84Å; Y464-Y697 HydrophobicContact CE2-CD2 3.84Å; Y464-Y697 HydrophobicContact CG-CD2 4.16Å; Y464-N700 PolarHBondContact OH-ND2 2.84Å
465	L	97.2	Very high	95.1	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-0.4	176.1	-68.1	168.8	0	0	0	113.3	D461 L462 D463 A467 M481 P488 Q489 K492 F625 M626	D461-L465 VanDerWaalsContact O-CG 3.27Å; D461-L465 WeakPolarHBondContact O-CG 3.45Å; D461-L465 PolarHBondContact O-N 2.86Å; L462-L465 PolarHBondContact O-N 3.03Å; D463-L465 VanDerWaalsContact C-N 3.26Å; D463-L465 PolarHBondContact O-N 3.4Å; L465-A467 PolarHBondContact O-N 3.02Å; L465-M481 HydrophobicContact CB-CE 4.23Å; L465-M481 HydrophobicContact CD1-CE 4.26Å; L465-P488 HydrophobicContact CD1-CB 3.7Å; L465-Q489 HydrophobicContact CD1-CG 4.26Å; L465-Q489 HydrophobicContact CD2-CG 4.42Å; L465-K492 HydrophobicContact CD2-CB 4.03Å; L465-K492 HydrophobicContact CD2-CG 4.03Å; L465-K492 WeakPolarHBondContact O-CE 3.44Å; L465-F625 HydrophobicContact CD2-CE1 3.97Å; L465-F625 HydrophobicContact CD2-CZ 4.27Å; L465-M626 HydrophobicContact CD1-CE 4.38Å; L465-M626 HydrophobicContact CD2-CE 4.26Å; L465-M626 HydrophobicContact CG-CE 4.14Å
466	A	96.6	Very high	95.1	Very high	41 Å²	41	50.2 Å²	50.2	34%	0.339	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	25.8	-171.2	0	0	0	0	0	113	L462 D463 Y464 L468 S475	L462-A466 PolarHBondContact O-N 2.87Å; D463-A466 WeakPolarHBondContact O-CA 3.32Å; D463-A466 PolarHBondContact O-N 3.44Å; Y464-A466 PolarHBondContact O-N 3.23Å; A466-L468 VanDerWaalsContact C-N 3.27Å; A466-S475 PolarHBondContact O-OG 3.32Å
467	A	97.8	Very high	95.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.257	C	S	.	.			trans	-74.4	-22.4	172.2	0	0	0	0	0	111.5	L462 L465 S475 G478 M481	L462-A467 HydrophobicContact CB-CB 4.12Å; L462-A467 HydrophobicContact CD2-CB 3.94Å; L462-A467 WeakPolarHBondContact O-CB 3.38Å; L462-A467 PolarHBondContact O-N 3.22Å; L465-A467 PolarHBondContact O-N 3.02Å; A467-S475 PolarHBondContact O-N 3.46Å; A467-S475 PolarHBondContact O-OG 2.91Å; A467-G478 WeakPolarHBondContact O-CA 3.43Å; A467-M481 HydrophobicContact CB-CE 3.84Å; A467-M481 HydrophobicContact CB-SD 3.9Å
468	L	97.1	Very high	95.2	Very high	14 Å²	14	47.5 Å²	47.5	7%	0.073	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-108.3	151.2	174.4	-54.3	178.1	0	0	0	110.9	K434 L459 L462 A466 N473 L474	K434-L468 HydrophobicContact CG-CD2 4.42Å; L459-L468 HydrophobicContact CD2-CD1 3.89Å; L462-L468 HydrophobicContact CB-CD1 3.94Å; L462-L468 HydrophobicContact CB-CG 3.89Å; A466-L468 VanDerWaalsContact C-N 3.27Å; L468-N473 CarbonylContact C-O 3.59Å; L468-N473 WeakPolarHBondContact CA-O 3.47Å; L468-L474 HydrophobicContact CD2-CD2 4.16Å
469	D	94.3	Very high	95.1	Very high	54 Å²	54	50.1 Å²	50.1	29%	0.289	27%	0.268	S	S	.	.			trans	-87	178.6	167.6	70.4	16	0	0	0	111.7	D471 G472 N473	D469-D471 PolarHBondContact O-N 3.19Å; D469-D471 VanDerWaalsContact O-N 3.15Å; D469-D471 WeakPolarHBondContact OD1-CA 3.27Å; D469-D471 PolarHBondContact OD1-N 3.45Å; D469-G472 PolarHBondContact O-N 3.21Å; D469-G472 PolarHBondContact OD1-N 3.28Å; D469-N473 PolarHBondContact N-O 2.82Å; D469-N473 PolarHBondContact OD1-N 3.42Å
470	N	89.6	Confident	95.1	Very high	162 Å²	162	48.8 Å²	48.8	87%	0.866	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.7	-178.1	-59.8	-46.8	0	0	0	113.8
471	D	91.6	Very high	95.1	Very high	141 Å²	141	45.8 Å²	45.8	75%	0.754	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-2.5	177	-64.7	-45.1	0	0	0	111.6	D469	D469-D471 PolarHBondContact O-N 3.19Å; D469-D471 VanDerWaalsContact O-N 3.15Å; D469-D471 WeakPolarHBondContact OD1-CA 3.27Å; D469-D471 PolarHBondContact OD1-N 3.45Å
472	G	90.2	Very high	95.1	Very high	24 Å²	24	46 Å²	46	25%	0.247	25%	0.249	C	C	.	.	S	Bend	trans	79.4	15.6	-178.4	0	0	0	0	0	114	K434 D469	K434-G472 WeakPolarHBondContact CE-O 3.45Å; K434-G472 PolarHBondContact NZ-O 2.94Å; D469-G472 PolarHBondContact O-N 3.21Å; D469-G472 PolarHBondContact OD1-N 3.28Å
473	N	93.5	Very high	94.8	Very high	80 Å²	80	48.2 Å²	48.2	43%	0.428	26%	0.259	S	S	.	.	S	Bend	trans	-86.8	169	170.6	-54	-56.9	0	0	0	110.3	L468 D469 S475	L468-N473 CarbonylContact C-O 3.59Å; L468-N473 WeakPolarHBondContact CA-O 3.47Å; D469-N473 PolarHBondContact N-O 2.82Å; D469-N473 PolarHBondContact OD1-N 3.42Å; N473-S475 PolarHBondContact O-N 3.39Å
474	L	95.2	Very high	94.7	Very high	20 Å²	20	45.8 Å²	45.8	11%	0.105	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-68.1	130.9	174.5	-76.3	170.3	0	0	0	111.2	L431 K434 R435 I438 L468 I479	L431-L474 HydrophobicContact CD1-CD2 3.55Å; K434-L474 HydrophobicContact CB-CD1 3.86Å; K434-L474 HydrophobicContact CB-CD2 3.97Å; K434-L474 HydrophobicContact CB-CG 3.72Å; K434-L474 WeakPolarHBondContact O-CD1 3.43Å; R435-L474 VanDerWaalsContact CA-CD1 3.41Å; R435-L474 HydrophobicContact CB-CD1 3.97Å; R435-L474 VanDerWaalsContact N-CD1 3.3Å; I438-L474 HydrophobicContact CD1-CB 4.24Å; I438-L474 HydrophobicContact CD1-CD1 3.7Å; L468-L474 HydrophobicContact CD2-CD2 4.16Å; L474-I479 HydrophobicContact CB-CG1 4.14Å
475	S	96.9	Very high	94.5	Very high	20 Å²	20	46.2 Å²	46.2	14%	0.14	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-76.1	172.2	166.1	74.9	0	0	0	0	110.9	A466 A467 N473 F477 G478 I479	A466-S475 PolarHBondContact O-OG 3.32Å; A467-S475 PolarHBondContact O-N 3.46Å; A467-S475 PolarHBondContact O-OG 2.91Å; N473-S475 PolarHBondContact O-N 3.39Å; S475-F477 VanDerWaalsContact C-N 3.25Å; S475-F477 PolarHBondContact O-N 2.91Å; S475-F477 PolarHBondContact OG-N 2.93Å; S475-G478 PolarHBondContact O-N 3.46Å; S475-G478 VanDerWaalsContact O-N 3.08Å; S475-G478 PolarHBondContact OG-N 3.42Å; S475-I479 WeakPolarHBondContact O-CG1 3.44Å; S475-I479 PolarHBondContact O-N 3.23Å
476	E	94.3	Very high	94.3	Very high	161 Å²	161	47.1 Å²	47.1	75%	0.752	26%	0.255	S	S	*	.	H	α-helix	trans	-57.6	-40.2	170.3	-65.4	-179.9	173.4	0	0	111.6	I479 I480	E476-I479 PolarHBondContact O-N 3.44Å; E476-I480 VanDerWaalsContact O-CG1 3.32Å; E476-I480 WeakPolarHBondContact O-CG1 3.46Å; E476-I480 PolarHBondContact O-N 3.35Å
477	F	94.9	Very high	94.2	Very high	78 Å²	78	49.7 Å²	49.7	34%	0.342	26%	0.263	S	S	.	.	H	α-helix	trans	-61.8	-44.2	172.9	-66	-70.7	0	0	0	111.4	S475 I479 I480 M481 L495	S475-F477 VanDerWaalsContact C-N 3.25Å; S475-F477 PolarHBondContact O-N 2.91Å; S475-F477 PolarHBondContact OG-N 2.93Å; F477-I479 VanDerWaalsContact C-N 3.33Å; F477-I479 PolarHBondContact O-N 3.33Å; F477-I480 PolarHBondContact O-N 2.79Å; F477-M481 HydrophobicContact CB-SD 4.5Å; F477-M481 VanDerWaalsContact O-CB 3.28Å; F477-M481 WeakPolarHBondContact O-CB 3.3Å; F477-M481 WeakPolarHBondContact O-CG 3.33Å; F477-M481 PolarHBondContact O-N 3.39Å; F477-L495 HydrophobicContact CD1-CD1 4.38Å
478	G	96.5	Very high	94.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-41.3	177.8	0	0	0	0	0	112.9	A467 S475 M481 S482	A467-G478 WeakPolarHBondContact O-CA 3.43Å; S475-G478 PolarHBondContact O-N 3.46Å; S475-G478 VanDerWaalsContact O-N 3.08Å; S475-G478 PolarHBondContact OG-N 3.42Å; G478-M481 PolarHBondContact O-N 3.01Å; G478-S482 PolarHBondContact O-N 3.25Å
479	I	95.2	Very high	94.1	Very high	55 Å²	55	50 Å²	50	28%	0.282	26%	0.264	S	S	.	.	H	α-helix	trans	-59	-51.7	174.3	-73	167.4	0	0	0	110.3	R435 I438 L474 S475 E476 F477 M481 S482	R435-I479 VanDerWaalsContact NH1-CG2 3.3Å; I438-I479 HydrophobicContact CD1-CD1 4.44Å; I438-I479 HydrophobicContact CD1-CG1 4.24Å; L474-I479 HydrophobicContact CB-CG1 4.14Å; S475-I479 WeakPolarHBondContact O-CG1 3.44Å; S475-I479 PolarHBondContact O-N 3.23Å; E476-I479 PolarHBondContact O-N 3.44Å; F477-I479 VanDerWaalsContact C-N 3.33Å; F477-I479 PolarHBondContact O-N 3.33Å; I479-M481 PolarHBondContact O-N 3.05Å; I479-S482 PolarHBondContact O-N 2.77Å; I479-S482 PolarHBondContact O-OG 2.82Å
480	I	95.1	Very high	94.3	Very high	38 Å²	38	47.6 Å²	47.6	20%	0.195	25%	0.251	C	S	.	.	H	α-helix	trans	-67.7	-39.5	-178	-59.2	164	0	0	0	111	E476 F477 S482 E483 F484 L495 I598 L600	E476-I480 VanDerWaalsContact O-CG1 3.32Å; E476-I480 WeakPolarHBondContact O-CG1 3.46Å; E476-I480 PolarHBondContact O-N 3.35Å; F477-I480 PolarHBondContact O-N 2.79Å; I480-S482 PolarHBondContact O-N 3.49Å; I480-E483 WeakPolarHBondContact O-CB 3.41Å; I480-E483 PolarHBondContact O-N 3.22Å; I480-E483 VanDerWaalsContact O-N 3.11Å; I480-F484 HydrophobicContact CG2-CE2 4.01Å; I480-F484 WeakPolarHBondContact O-CD2 3.34Å; I480-L495 HydrophobicContact CB-CD1 4.29Å; I480-L495 HydrophobicContact CB-CD2 4.23Å; I480-L495 HydrophobicContact CG2-CD1 4.21Å; I480-L495 HydrophobicContact CG2-CD2 3.43Å; I480-L495 VanDerWaalsContact CG2-CD2 3.43Å; I480-L495 HydrophobicContact CG2-CG 4.37Å; I480-I598 HydrophobicContact CG1-CG2 4.48Å; I480-I598 HydrophobicContact CG2-CD1 4.22Å; I480-I598 HydrophobicContact CG2-CG2 4.27Å; I480-L600 HydrophobicContact CG2-CD1 4.11Å
481	M	96.3	Very high	94.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-57.7	-36.8	175.6	-75.3	169.2	56.2	0	0	112.2	L431 L465 A467 F477 G478 I479 E483 F484 P488 K492 L495	L431-M481 HydrophobicContact CD2-CB 4.18Å; L465-M481 HydrophobicContact CB-CE 4.23Å; L465-M481 HydrophobicContact CD1-CE 4.26Å; A467-M481 HydrophobicContact CB-CE 3.84Å; A467-M481 HydrophobicContact CB-SD 3.9Å; F477-M481 HydrophobicContact CB-SD 4.5Å; F477-M481 VanDerWaalsContact O-CB 3.28Å; F477-M481 WeakPolarHBondContact O-CB 3.3Å; F477-M481 WeakPolarHBondContact O-CG 3.33Å; F477-M481 PolarHBondContact O-N 3.39Å; G478-M481 PolarHBondContact O-N 3.01Å; I479-M481 PolarHBondContact O-N 3.05Å; M481-E483 PolarHBondContact O-N 3.01Å; M481-F484 PolarHBondContact O-N 2.84Å; M481-P488 HydrophobicContact CE-CB 3.66Å; M481-P488 VanDerWaalsContact CE-O 3.31Å; M481-P488 WeakPolarHBondContact CE-O 3.34Å; M481-K492 HydrophobicContact CE-CB 4.32Å; M481-K492 HydrophobicContact SD-CB 4.25Å; M481-K492 HydrophobicContact SD-CD 4.3Å; M481-L495 HydrophobicContact CG-CD1 3.47Å; M481-L495 VanDerWaalsContact CG-CD1 3.47Å; M481-L495 HydrophobicContact SD-CD1 4.48Å
482	S	94.3	Very high	95	Very high	7 Å²	7	34.6 Å²	34.6	5%	0.049	18%	0.18	C	C	.	.	H	α-helix	trans	-68.3	-20.4	179.7	75.3	0	0	0	0	113.9	R435 G478 I479 I480 F484	R435-S482 WeakPolarHBondContact CD-OG 3.48Å; R435-S482 PolarHBondContact NE-OG 2.76Å; G478-S482 PolarHBondContact O-N 3.25Å; I479-S482 PolarHBondContact O-N 2.77Å; I479-S482 PolarHBondContact O-OG 2.82Å; I480-S482 PolarHBondContact O-N 3.49Å; S482-F484 VanDerWaalsContact C-N 3.31Å
483	E	92.6	Very high	95.4	Very high	47 Å²	47	33.4 Å²	33.4	22%	0.22	17%	0.168	C	C	.	.	H	α-helix	trans	-74.5	-23.3	177.2	-63.7	-68.4	135.6	0	0	112.5	R435 I480 M481 I594 R597 I598	R435-E483 IonicContact CZ-OE1 3.76Å; R435-E483 IonicContact NE-OE1 3.57Å; R435-E483 IonicContact NH2-OE1 2.78Å; R435-E483 PolarHBondContact NH2-OE1 2.71Å; I480-E483 WeakPolarHBondContact O-CB 3.41Å; I480-E483 PolarHBondContact O-N 3.22Å; I480-E483 VanDerWaalsContact O-N 3.11Å; M481-E483 PolarHBondContact O-N 3.01Å; E483-I594 HydrophobicContact CB-CG2 4.38Å; E483-R597 IonicContact OE2-CZ 2.94Å; E483-R597 IonicContact OE2-NH2 2.67Å; E483-R597 PolarHBondContact OE2-NH2 3.48Å; E483-I598 HydrophobicContact CB-CD1 3.69Å; E483-I598 HydrophobicContact CG-CD1 3.85Å
484	F	93.2	Very high	95.6	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.035	15%	0.148	C	C	.	.	S	Bend	trans	-83.7	136.3	-179.5	-68.1	-73.5	0	0	0	111.5	I480 M481 S482 L486 S491 I494 L495 L591 I594 I595 L600	I480-F484 HydrophobicContact CG2-CE2 4.01Å; I480-F484 WeakPolarHBondContact O-CD2 3.34Å; M481-F484 PolarHBondContact O-N 2.84Å; S482-F484 VanDerWaalsContact C-N 3.31Å; F484-L486 HydrophobicContact CB-CB 4.5Å; F484-L486 HydrophobicContact CB-CG 4.45Å; F484-L486 PolarHBondContact O-N 2.93Å; F484-S491 WeakPolarHBondContact CB-OG 3.31Å; F484-I494 HydrophobicContact CE1-CG2 4.2Å; F484-I494 HydrophobicContact CZ-CG2 3.98Å; F484-L495 HydrophobicContact CE2-CD2 4.22Å; F484-L495 HydrophobicContact CE2-CG 4.38Å; F484-L591 HydrophobicContact CD1-CD2 3.93Å; F484-I594 HydrophobicContact CD1-CB 4.36Å; F484-I594 HydrophobicContact CD1-CD1 4.32Å; F484-I594 HydrophobicContact CD1-CG2 3.81Å; F484-I594 HydrophobicContact CE1-CB 4.07Å; F484-I594 HydrophobicContact CE1-CG2 3.53Å; F484-I594 HydrophobicContact CZ-CG2 4.05Å; F484-I595 HydrophobicContact CE1-CG1 4.09Å; F484-I595 HydrophobicContact CZ-CG1 4.07Å; F484-L600 HydrophobicContact CZ-CD1 4.21Å
485	P	91.4	Very high	95.7	Very high	19 Å²	19	29.1 Å²	29.1	12%	0.123	15%	0.145	C	C	.	.	S	Bend	trans	-78	38.8	179.6	36.8	-41.3	0	0	0	113.3	F148 R168 L591 I594	F148-P485 HydrophobicContact CE1-CB 4.26Å; F148-P485 HydrophobicContact CE1-CG 3.7Å; F148-P485 HydrophobicContact CZ-CB 4.27Å; F148-P485 HydrophobicContact CZ-CG 4.05Å; R168-P485 VanDerWaalsContact NH1-CB 3.26Å; P485-L591 HydrophobicContact CG-CD2 4.01Å; P485-I594 HydrophobicContact CG-CD1 4.41Å
486	L	93.6	Very high	95.7	Very high	20 Å²	20	28.4 Å²	28.4	11%	0.105	14%	0.14	C	C	.	.	S	Bend	trans	-133.1	166.9	-166.2	-57.1	177.4	0	0	0	111.8	F484 L490 I494 A510 T514 L591	F484-L486 HydrophobicContact CB-CB 4.5Å; F484-L486 HydrophobicContact CB-CG 4.45Å; F484-L486 PolarHBondContact O-N 2.93Å; L486-L490 HydrophobicContact CB-CB 4.37Å; L486-L490 HydrophobicContact CB-CD2 4.4Å; L486-L490 HydrophobicContact CD1-CD2 3.99Å; L486-L490 HydrophobicContact CD1-CG 4.03Å; L486-L490 HydrophobicContact CD2-CD2 4.21Å; L486-L490 HydrophobicContact CG-CD2 4.44Å; L486-I494 HydrophobicContact CD1-CD1 3.43Å; L486-I494 VanDerWaalsContact CD1-CD1 3.43Å; L486-A510 HydrophobicContact CD1-CB 4.32Å; L486-T514 HydrophobicContact CD2-CG2 3.96Å; L486-T514 WeakPolarHBondContact CD2-OG1 3.5Å; L486-L591 HydrophobicContact CD1-CD1 3.96Å; L486-L591 HydrophobicContact CD1-CD2 3.63Å; L486-L591 HydrophobicContact CD1-CG 4.47Å; L486-L591 HydrophobicContact CD2-CD2 4.43Å; L486-L591 HydrophobicContact CG-CD2 4.01Å
487	D	93.8	Very high	95.9	Very high	94 Å²	94	20.7 Å²	20.7	50%	0.503	10%	0.104	S	C	.	.			trans	-62	142.5	170.2	-73.3	-31.4	0	0	0	110.8	Q489 L490 S491	D487-Q489 PolarHBondContact O-N 3.5Å; D487-Q489 VanDerWaalsContact O-N 3.1Å; D487-L490 PolarHBondContact O-N 2.88Å; D487-S491 PolarHBondContact O-N 2.74Å; D487-S491 PolarHBondContact O-OG 3.19Å
488	P	97.3	Very high	95.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-52.2	-36.7	-177.4	-32.6	38.6	0	0	0	114.7	T427 S428 L431 L462 L465 M481 L490 S491 K492	T427-P488 HydrophobicContact CG2-CB 4.3Å; T427-P488 HydrophobicContact CG2-CG 3.88Å; S428-P488 VanDerWaalsContact OG-CD 3.29Å; S428-P488 WeakPolarHBondContact OG-CD 2.99Å; L431-P488 HydrophobicContact CD2-CB 4.42Å; L431-P488 HydrophobicContact CD2-CG 3.94Å; L462-P488 HydrophobicContact CD2-CB 3.97Å; L462-P488 HydrophobicContact CD2-CG 4.05Å; L465-P488 HydrophobicContact CD1-CB 3.7Å; M481-P488 HydrophobicContact CE-CB 3.66Å; M481-P488 VanDerWaalsContact CE-O 3.31Å; M481-P488 WeakPolarHBondContact CE-O 3.34Å; P488-L490 VanDerWaalsContact C-N 3.35Å; P488-L490 PolarHBondContact O-N 3.05Å; P488-S491 PolarHBondContact O-N 2.74Å; P488-K492 WeakPolarHBondContact O-CB 3.46Å; P488-K492 PolarHBondContact O-N 2.91Å
489	Q	97.1	Very high	95.8	Very high	21 Å²	21	23.7 Å²	23.7	10%	0.098	12%	0.121	C	C	.	.	H	α-helix	trans	-61.6	-42	175.9	-65.9	85.7	-14	0	0	112	L465 D487 S493 G623 Y624 M626	L465-Q489 HydrophobicContact CD1-CG 4.26Å; L465-Q489 HydrophobicContact CD2-CG 4.42Å; D487-Q489 PolarHBondContact O-N 3.5Å; D487-Q489 VanDerWaalsContact O-N 3.1Å; Q489-S493 PolarHBondContact O-N 3.29Å; Q489-S493 PolarHBondContact O-OG 3.46Å; Q489-G623 VanDerWaalsContact CB-O 3.31Å; Q489-G623 WeakPolarHBondContact CB-O 3.31Å; Q489-G623 WeakPolarHBondContact CG-O 3.37Å; Q489-G623 VanDerWaalsContact O-CA 3.32Å; Q489-G623 WeakPolarHBondContact O-CA 3.43Å; Q489-Y624 HydrophobicContact CB-CD1 4.29Å; Q489-Y624 HydrophobicContact CB-CD2 4.43Å; Q489-Y624 HydrophobicContact CB-CE1 3.93Å; Q489-Y624 HydrophobicContact CB-CE2 4.06Å; Q489-M626 HydrophobicContact CG-CE 4.24Å
490	L	97.7	Very high	95.9	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-73.5	-41.3	179.5	-167.5	55.8	0	0	0	111.1	L486 D487 P488 K492 S493 I494 A510 V513 Y624	L486-L490 HydrophobicContact CB-CB 4.37Å; L486-L490 HydrophobicContact CB-CD2 4.4Å; L486-L490 HydrophobicContact CD1-CD2 3.99Å; L486-L490 HydrophobicContact CD1-CG 4.03Å; L486-L490 HydrophobicContact CD2-CD2 4.21Å; L486-L490 HydrophobicContact CG-CD2 4.44Å; D487-L490 PolarHBondContact O-N 2.88Å; P488-L490 VanDerWaalsContact C-N 3.35Å; P488-L490 PolarHBondContact O-N 3.05Å; L490-K492 VanDerWaalsContact C-N 3.3Å; L490-K492 PolarHBondContact O-N 2.95Å; L490-S493 WeakPolarHBondContact O-CB 3.5Å; L490-S493 PolarHBondContact O-N 3.17Å; L490-S493 VanDerWaalsContact O-N 3.11Å; L490-I494 WeakPolarHBondContact O-CG1 3.11Å; L490-I494 PolarHBondContact O-N 2.83Å; L490-A510 HydrophobicContact CD1-CB 3.95Å; L490-A510 HydrophobicContact CD2-CB 3.91Å; L490-A510 HydrophobicContact CG-CB 3.95Å; L490-V513 HydrophobicContact CD1-CG2 4.43Å; L490-V513 HydrophobicContact CD2-CG2 3.76Å; L490-Y624 HydrophobicContact CB-CE2 4.37Å; L490-Y624 WeakPolarHBondContact CB-OH 3.25Å; L490-Y624 HydrophobicContact CD1-CE2 4.1Å
491	S	97.7	Very high	95.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58	-43.1	172.4	-56.4	0	0	0	0	111.4	F484 D487 P488 S493 I494 L495	F484-S491 WeakPolarHBondContact CB-OG 3.31Å; D487-S491 PolarHBondContact O-N 2.74Å; D487-S491 PolarHBondContact O-OG 3.19Å; P488-S491 PolarHBondContact O-N 2.74Å; S491-S493 VanDerWaalsContact C-N 3.33Å; S491-S493 PolarHBondContact O-N 3.26Å; S491-I494 PolarHBondContact O-N 2.85Å; S491-L495 WeakPolarHBondContact O-CG 3.42Å; S491-L495 PolarHBondContact O-N 3.13Å
492	K	98	Very high	96	Very high	29 Å²	29	25.8 Å²	25.8	13%	0.126	13%	0.131	C	C	.	.	H	α-helix	trans	-63.4	-38.2	175.1	-178	60.9	176.4	-175	0	112.4	L465 M481 P488 L490 L495 A496 S622	L465-K492 HydrophobicContact CD2-CB 4.03Å; L465-K492 HydrophobicContact CD2-CG 4.03Å; L465-K492 WeakPolarHBondContact O-CE 3.44Å; M481-K492 HydrophobicContact CE-CB 4.32Å; M481-K492 HydrophobicContact SD-CB 4.25Å; M481-K492 HydrophobicContact SD-CD 4.3Å; P488-K492 WeakPolarHBondContact O-CB 3.46Å; P488-K492 PolarHBondContact O-N 2.91Å; L490-K492 VanDerWaalsContact C-N 3.3Å; L490-K492 PolarHBondContact O-N 2.95Å; K492-L495 PolarHBondContact O-N 2.88Å; K492-A496 WeakPolarHBondContact O-CB 3.45Å; K492-A496 PolarHBondContact O-N 3.09Å; K492-S622 WeakPolarHBondContact CG-O 3.32Å
493	S	98.3	Very high	96.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.3	-40	176.7	-55.4	0	0	0	0	111.9	Q489 L490 S491 A496 S497 A619 G623 Y624	Q489-S493 PolarHBondContact O-N 3.29Å; Q489-S493 PolarHBondContact O-OG 3.46Å; L490-S493 WeakPolarHBondContact O-CB 3.5Å; L490-S493 PolarHBondContact O-N 3.17Å; L490-S493 VanDerWaalsContact O-N 3.11Å; S491-S493 VanDerWaalsContact C-N 3.33Å; S491-S493 PolarHBondContact O-N 3.26Å; S493-A496 PolarHBondContact O-N 3.04Å; S493-S497 WeakPolarHBondContact O-CB 3.4Å; S493-S497 PolarHBondContact O-N 3.05Å; S493-A619 WeakPolarHBondContact CA-O 3.42Å; S493-G623 WeakPolarHBondContact OG-CA 3.26Å; S493-Y624 WeakPolarHBondContact OG-CD2 3.36Å
494	I	98.1	Very high	96.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63	-44.2	173.9	-67.2	169.7	0	0	0	110.5	F484 L486 L490 S491 A496 S497 C498 V506 L507 A510 L591 I595	F484-I494 HydrophobicContact CE1-CG2 4.2Å; F484-I494 HydrophobicContact CZ-CG2 3.98Å; L486-I494 HydrophobicContact CD1-CD1 3.43Å; L486-I494 VanDerWaalsContact CD1-CD1 3.43Å; L490-I494 WeakPolarHBondContact O-CG1 3.11Å; L490-I494 PolarHBondContact O-N 2.83Å; S491-I494 PolarHBondContact O-N 2.85Å; I494-A496 PolarHBondContact O-N 2.88Å; I494-S497 WeakPolarHBondContact O-CB 3.44Å; I494-S497 PolarHBondContact O-N 3.31Å; I494-S497 PolarHBondContact O-OG 3.38Å; I494-C498 PolarHBondContact O-SG 2.79Å; I494-V506 HydrophobicContact CG1-CG1 4.08Å; I494-L507 HydrophobicContact CD1-CD2 4.26Å; I494-L507 HydrophobicContact CG1-CD2 4.49Å; I494-L507 HydrophobicContact CG2-CD2 4.26Å; I494-A510 HydrophobicContact CD1-CB 3.91Å; I494-A510 HydrophobicContact CG1-CB 4.34Å; I494-L591 HydrophobicContact CD1-CD1 4.35Å; I494-I595 HydrophobicContact CG2-CD1 3.86Å; I494-I595 HydrophobicContact CG2-CG1 4.46Å
495	L	97	Very high	96.5	Very high	10 Å²	10	23.3 Å²	23.3	5%	0.052	12%	0.12	C	C	.	.	H	α-helix	trans	-62.3	-46.7	177.3	-70.4	170.4	0	0	0	112.3	F477 I480 M481 F484 S491 K492 S497 C498 L600	F477-L495 HydrophobicContact CD1-CD1 4.38Å; I480-L495 HydrophobicContact CB-CD1 4.29Å; I480-L495 HydrophobicContact CB-CD2 4.23Å; I480-L495 HydrophobicContact CG2-CD1 4.21Å; I480-L495 HydrophobicContact CG2-CD2 3.43Å; I480-L495 VanDerWaalsContact CG2-CD2 3.43Å; I480-L495 HydrophobicContact CG2-CG 4.37Å; M481-L495 HydrophobicContact CG-CD1 3.47Å; M481-L495 VanDerWaalsContact CG-CD1 3.47Å; M481-L495 HydrophobicContact SD-CD1 4.48Å; F484-L495 HydrophobicContact CE2-CD2 4.22Å; F484-L495 HydrophobicContact CE2-CG 4.38Å; S491-L495 WeakPolarHBondContact O-CG 3.42Å; S491-L495 PolarHBondContact O-N 3.13Å; K492-L495 PolarHBondContact O-N 2.88Å; L495-S497 PolarHBondContact O-N 3Å; L495-C498 VanDerWaalsContact O-CB 3.27Å; L495-C498 WeakPolarHBondContact O-CB 3.42Å; L495-C498 PolarHBondContact O-N 3.01Å; L495-C498 VanDerWaalsContact O-N 3.09Å; L495-L600 HydrophobicContact CD2-CD1 3.7Å; L495-L600 HydrophobicContact CD2-CD2 4.4Å
496	A	97.4	Very high	96.8	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.033	11%	0.114	C	C	.	.	H	α-helix	trans	-61.7	-31.7	176	0	0	0	0	0	112.4	K492 S493 I494 C498 E499 F500	K492-A496 WeakPolarHBondContact O-CB 3.45Å; K492-A496 PolarHBondContact O-N 3.09Å; S493-A496 PolarHBondContact O-N 3.04Å; I494-A496 PolarHBondContact O-N 2.88Å; A496-C498 PolarHBondContact O-N 2.89Å; A496-E499 WeakPolarHBondContact O-CB 3.3Å; A496-E499 PolarHBondContact O-N 2.89Å; A496-F500 HydrophobicContact CB-CD2 4.33Å; A496-F500 HydrophobicContact CB-CE2 4.05Å; A496-F500 WeakPolarHBondContact O-CD2 3.44Å; A496-F500 PolarHBondContact O-N 2.81Å
497	S	97.6	Very high	97	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.3	-22.9	177	79	0	0	0	0	113.8	S493 I494 L495 E499 D501 C502 V503	S493-S497 WeakPolarHBondContact O-CB 3.4Å; S493-S497 PolarHBondContact O-N 3.05Å; I494-S497 WeakPolarHBondContact O-CB 3.44Å; I494-S497 PolarHBondContact O-N 3.31Å; I494-S497 PolarHBondContact O-OG 3.38Å; L495-S497 PolarHBondContact O-N 3Å; S497-E499 VanDerWaalsContact C-N 3.35Å; S497-D501 PolarHBondContact O-N 2.84Å; S497-D501 VanDerWaalsContact O-N 3.17Å; S497-C502 PolarHBondContact O-N 2.88Å; S497-V503 WeakPolarHBondContact O-CG2 3.41Å; S497-V503 WeakPolarHBondContact OG-CA 3.29Å
498	C	96.1	Very high	97.2	Very high	15 Å²	15	17.1 Å²	17.1	10%	0.101	9%	0.085	C	C	.	.	H	α-helix	trans	-70.4	-33.2	173.8	-55.9	0	0	0	0	111.4	I494 L495 A496 V503 P601	I494-C498 PolarHBondContact O-SG 2.79Å; L495-C498 VanDerWaalsContact O-CB 3.27Å; L495-C498 WeakPolarHBondContact O-CB 3.42Å; L495-C498 PolarHBondContact O-N 3.01Å; L495-C498 VanDerWaalsContact O-N 3.09Å; A496-C498 PolarHBondContact O-N 2.89Å; C498-V503 HydrophobicContact CB-CG2 4.19Å; C498-P601 HydrophobicContact CB-CB 4.46Å
499	E	95.1	Very high	97.3	Very high	125 Å²	125	17.1 Å²	17.1	58%	0.584	9%	0.086	S	C	*	.	H	α-helix	trans	-78.9	-26.9	177.1	-61.4	177.5	-173.5	0	0	112.4	A496 S497	A496-E499 WeakPolarHBondContact O-CB 3.3Å; A496-E499 PolarHBondContact O-N 2.89Å; S497-E499 VanDerWaalsContact C-N 3.35Å
500	F	96.4	Very high	97.4	Very high	34 Å²	34	16.1 Å²	16.1	15%	0.149	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	11.4	-177.7	-56.7	-53.2	0	0	0	113.8	A496 C502 N615 K618 A619 L692	A496-F500 HydrophobicContact CB-CD2 4.33Å; A496-F500 HydrophobicContact CB-CE2 4.05Å; A496-F500 WeakPolarHBondContact O-CD2 3.44Å; A496-F500 PolarHBondContact O-N 2.81Å; F500-C502 VanDerWaalsContact C-N 3.33Å; F500-C502 PolarHBondContact O-N 2.88Å; F500-N615 HydrophobicContact CB-CB 3.94Å; F500-N615 WeakPolarHBondContact O-CB 3.49Å; F500-N615 PolarHBondContact O-ND2 3.32Å; F500-K618 HydrophobicContact CD1-CB 4.21Å; F500-K618 HydrophobicContact CD1-CD 3.89Å; F500-K618 HydrophobicContact CD2-CB 3.67Å; F500-K618 HydrophobicContact CE1-CB 4.17Å; F500-K618 HydrophobicContact CE1-CD 3.9Å; F500-K618 HydrophobicContact CE2-CB 3.62Å; F500-K618 HydrophobicContact CG-CB 3.98Å; F500-K618 HydrophobicContact CG-CD 4.37Å; F500-K618 HydrophobicContact CZ-CB 3.89Å; F500-K618 HydrophobicContact CZ-CD 4.38Å; F500-A619 HydrophobicContact CD2-CB 4.09Å; F500-L692 HydrophobicContact CZ-CD2 3.83Å
501	D	95.9	Very high	97.4	Very high	103 Å²	103	16 Å²	16	55%	0.551	8%	0.08	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	45.1	177.5	-60.1	-45.2	0	0	0	113.9	S497 A603	S497-D501 PolarHBondContact O-N 2.84Å; S497-D501 VanDerWaalsContact O-N 3.17Å; D501-A603 HydrophobicContact CB-CB 3.85Å
502	C	97.3	Very high	97.4	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.007	8%	0.082	C	C	.	.			trans	-138.3	28.7	179.3	59.5	0	0	0	0	113.3	S497 F500 D504 E505 V506 N615 I616	S497-C502 PolarHBondContact O-N 2.88Å; F500-C502 VanDerWaalsContact C-N 3.33Å; F500-C502 PolarHBondContact O-N 2.88Å; C502-D504 VanDerWaalsContact C-N 3.32Å; C502-D504 PolarHBondContact O-N 3.33Å; C502-E505 PolarHBondContact O-N 3.3Å; C502-V506 WeakPolarHBondContact O-CG2 3.43Å; C502-V506 PolarHBondContact O-N 2.79Å; C502-V506 VanDerWaalsContact O-N 3.07Å; C502-N615 HydrophobicContact CB-CB 4.15Å; C502-N615 VanDerWaalsContact SG-C 3.55Å; C502-N615 PolarHBondContact SG-O 2.98Å; C502-I616 HydrophobicContact CB-CG1 3.93Å
503	V	97.1	Very high	97.3	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	8%	0.081	C	C	.	.	H	α-helix	trans	-56.7	-44.2	-176.4	-176	0	0	0	0	112.1	S497 C498 E505 V506 L507 I595 Y602	S497-V503 WeakPolarHBondContact O-CG2 3.41Å; S497-V503 WeakPolarHBondContact OG-CA 3.29Å; C498-V503 HydrophobicContact CB-CG2 4.19Å; V503-E505 PolarHBondContact O-N 3.35Å; V503-V506 PolarHBondContact O-N 3.36Å; V503-L507 HydrophobicContact CG1-CD1 4.08Å; V503-L507 HydrophobicContact CG1-CG 4.1Å; V503-L507 WeakPolarHBondContact O-CB 3.45Å; V503-L507 VanDerWaalsContact O-CG 3.26Å; V503-L507 WeakPolarHBondContact O-CG 3.45Å; V503-L507 PolarHBondContact O-N 3.17Å; V503-I595 HydrophobicContact CG1-CD1 3.61Å; V503-Y602 HydrophobicContact CB-CD2 4.11Å; V503-Y602 HydrophobicContact CG1-CD2 3.76Å; V503-Y602 HydrophobicContact CG1-CE2 4.24Å
504	D	96.3	Very high	97.1	Very high	9 Å²	9	18.3 Å²	18.3	5%	0.048	10%	0.096	C	C	.	.	H	α-helix	trans	-60.7	-44.2	-177.3	-164.9	82.1	0	0	0	113	C502 T508 R588 Y602 P605	C502-D504 VanDerWaalsContact C-N 3.32Å; C502-D504 PolarHBondContact O-N 3.33Å; D504-T508 PolarHBondContact O-N 2.98Å; D504-T508 VanDerWaalsContact O-N 3.14Å; D504-T508 PolarHBondContact O-OG1 2.79Å; D504-R588 IonicContact OD1-CZ 3.23Å; D504-R588 IonicContact OD1-NH2 3.3Å; D504-R588 PolarHBondContact OD1-NH2 2.89Å; D504-R588 IonicContact OD2-NH2 2.75Å; D504-R588 PolarHBondContact OD2-NH2 2.9Å; D504-Y602 HydrophobicContact CB-CE2 4.45Å; D504-Y602 PolarHBondContact OD1-OH 3.22Å; D504-P605 HydrophobicContact CB-CB 4.23Å; D504-P605 HydrophobicContact CB-CG 4.08Å
505	E	97.8	Very high	96.9	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-71	-40.1	178.8	-69.2	88.5	-166.9	0	0	112.2	C502 V503 T508 I509 I548 A606 F607 N612 I616	C502-E505 PolarHBondContact O-N 3.3Å; V503-E505 PolarHBondContact O-N 3.35Å; E505-T508 WeakPolarHBondContact O-CB 3.49Å; E505-T508 PolarHBondContact O-N 2.78Å; E505-I509 WeakPolarHBondContact O-CG1 3.49Å; E505-I509 PolarHBondContact O-N 2.94Å; E505-I548 HydrophobicContact CB-CD1 3.83Å; E505-I548 HydrophobicContact CG-CD1 4.25Å; E505-A606 PolarHBondContact OE1-N 3.1Å; E505-F607 HydrophobicContact CG-CB 3.98Å; E505-F607 HydrophobicContact CG-CD2 3.96Å; E505-F607 HydrophobicContact CG-CG 4.36Å; E505-F607 PolarHBondContact OE1-N 3.18Å; E505-N612 PolarHBondContact OE2-ND2 3.41Å; E505-I616 HydrophobicContact CB-CD1 3.62Å; E505-I616 HydrophobicContact CB-CG1 3.95Å; E505-I616 HydrophobicContact CG-CD1 3.88Å
506	V	98.2	Very high	96.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-71.2	-35.1	179.2	177.3	0	0	0	0	111.8	I494 C502 V503 T508 I509 A510 A619	I494-V506 HydrophobicContact CG1-CG1 4.08Å; C502-V506 WeakPolarHBondContact O-CG2 3.43Å; C502-V506 PolarHBondContact O-N 2.79Å; C502-V506 VanDerWaalsContact O-N 3.07Å; V503-V506 PolarHBondContact O-N 3.36Å; V506-T508 VanDerWaalsContact C-N 3.29Å; V506-T508 PolarHBondContact O-N 3.36Å; V506-I509 PolarHBondContact O-N 3.09Å; V506-A510 WeakPolarHBondContact O-CB 3.36Å; V506-A510 PolarHBondContact O-N 2.81Å; V506-A619 HydrophobicContact CG2-CB 3.86Å
507	L	97.8	Very high	96.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.2	-41	169	-77.8	-176.2	0	0	0	112	I494 V503 A510 A511 R588 L591 L592 I595 Y602	I494-L507 HydrophobicContact CD1-CD2 4.26Å; I494-L507 HydrophobicContact CG1-CD2 4.49Å; I494-L507 HydrophobicContact CG2-CD2 4.26Å; V503-L507 HydrophobicContact CG1-CD1 4.08Å; V503-L507 HydrophobicContact CG1-CG 4.1Å; V503-L507 WeakPolarHBondContact O-CB 3.45Å; V503-L507 VanDerWaalsContact O-CG 3.26Å; V503-L507 WeakPolarHBondContact O-CG 3.45Å; V503-L507 PolarHBondContact O-N 3.17Å; L507-A510 PolarHBondContact O-N 2.85Å; L507-A511 WeakPolarHBondContact O-CB 3.27Å; L507-A511 PolarHBondContact O-N 2.58Å; L507-R588 HydrophobicContact CB-CG 4.32Å; L507-L591 HydrophobicContact CD2-CB 3.58Å; L507-L591 HydrophobicContact CD2-CD1 4.24Å; L507-L592 HydrophobicContact CD1-CB 4.09Å; L507-L592 HydrophobicContact CD1-CD1 4.01Å; L507-I595 HydrophobicContact CD1-CD1 3.81Å; L507-I595 HydrophobicContact CD2-CD1 3.61Å; L507-I595 HydrophobicContact CG-CD1 3.93Å; L507-Y602 HydrophobicContact CD1-CE2 4.43Å
508	T	98.3	Very high	95.8	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-64.3	-45.3	176.5	-58.1	0	0	0	0	111	D504 E505 V506 A511 M512 I548 Y551 R588	D504-T508 PolarHBondContact O-N 2.98Å; D504-T508 VanDerWaalsContact O-N 3.14Å; D504-T508 PolarHBondContact O-OG1 2.79Å; E505-T508 WeakPolarHBondContact O-CB 3.49Å; E505-T508 PolarHBondContact O-N 2.78Å; V506-T508 VanDerWaalsContact C-N 3.29Å; V506-T508 PolarHBondContact O-N 3.36Å; T508-A511 PolarHBondContact O-N 3.22Å; T508-M512 HydrophobicContact CG2-CG 4.48Å; T508-M512 WeakPolarHBondContact O-CB 3.41Å; T508-M512 VanDerWaalsContact O-CG 3.24Å; T508-M512 WeakPolarHBondContact O-CG 3.17Å; T508-M512 PolarHBondContact O-N 2.94Å; T508-I548 HydrophobicContact CG2-CG1 4.29Å; T508-Y551 HydrophobicContact CG2-CD1 3.32Å; T508-Y551 HydrophobicContact CG2-CD2 4.31Å; T508-Y551 HydrophobicContact CG2-CE1 4.04Å; T508-Y551 HydrophobicContact CG2-CG 3.48Å; T508-Y551 VanDerWaalsContact CG2-CG 3.48Å; T508-R588 PolarHBondContact OG1-NE 3.16Å
509	I	98.4	Very high	95.6	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-58.6	-50.8	173.7	-69.3	165.2	0	0	0	109.9	E505 V506 A511 M512 V513 H544 I548 I616 L620	E505-I509 WeakPolarHBondContact O-CG1 3.49Å; E505-I509 PolarHBondContact O-N 2.94Å; V506-I509 PolarHBondContact O-N 3.09Å; I509-A511 VanDerWaalsContact C-N 3.31Å; I509-A511 PolarHBondContact O-N 3.22Å; I509-M512 PolarHBondContact O-N 3.12Å; I509-M512 VanDerWaalsContact O-N 3.14Å; I509-V513 HydrophobicContact CG2-CG1 4.19Å; I509-V513 WeakPolarHBondContact O-CG1 3.47Å; I509-V513 WeakPolarHBondContact O-CG2 3.39Å; I509-V513 PolarHBondContact O-N 2.79Å; I509-H544 HydrophobicContact CD1-CB 4.06Å; I509-H544 HydrophobicContact CG1-CB 4.42Å; I509-I548 HydrophobicContact CD1-CD1 3.71Å; I509-I548 HydrophobicContact CD1-CG1 4.26Å; I509-I548 HydrophobicContact CG1-CD1 3.76Å; I509-I548 HydrophobicContact CG1-CG1 3.71Å; I509-I616 HydrophobicContact CD1-CG2 3.77Å; I509-L620 HydrophobicContact CD1-CD1 4.27Å; I509-L620 HydrophobicContact CD1-CD2 4.45Å; I509-L620 HydrophobicContact CG2-CD2 4.3Å
510	A	98.1	Very high	95.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-56.2	-45.9	-178.8	0	0	0	0	0	111.7	L486 L490 I494 V506 L507 V513 T514 L591	L486-A510 HydrophobicContact CD1-CB 4.32Å; L490-A510 HydrophobicContact CD1-CB 3.95Å; L490-A510 HydrophobicContact CD2-CB 3.91Å; L490-A510 HydrophobicContact CG-CB 3.95Å; I494-A510 HydrophobicContact CD1-CB 3.91Å; I494-A510 HydrophobicContact CG1-CB 4.34Å; V506-A510 WeakPolarHBondContact O-CB 3.36Å; V506-A510 PolarHBondContact O-N 2.81Å; L507-A510 PolarHBondContact O-N 2.85Å; A510-V513 WeakPolarHBondContact O-CG2 3.37Å; A510-V513 PolarHBondContact O-N 2.83Å; A510-T514 VanDerWaalsContact O-CB 3.3Å; A510-T514 WeakPolarHBondContact O-CB 3.42Å; A510-T514 PolarHBondContact O-N 3.26Å; A510-T514 PolarHBondContact O-OG1 2.88Å; A510-L591 HydrophobicContact CB-CD1 3.92Å
511	A	98.1	Very high	94.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62	-45.8	175.9	0	0	0	0	0	113.1	L507 T508 I509 V513 T514 A515 A584 I587 R588	L507-A511 WeakPolarHBondContact O-CB 3.27Å; L507-A511 PolarHBondContact O-N 2.58Å; T508-A511 PolarHBondContact O-N 3.22Å; I509-A511 VanDerWaalsContact C-N 3.31Å; I509-A511 PolarHBondContact O-N 3.22Å; A511-V513 PolarHBondContact O-N 2.88Å; A511-T514 PolarHBondContact O-N 2.73Å; A511-A515 VanDerWaalsContact O-CB 3.27Å; A511-A515 WeakPolarHBondContact O-CB 3.37Å; A511-A515 PolarHBondContact O-N 3.48Å; A511-A584 HydrophobicContact CB-CB 4.31Å; A511-A584 WeakPolarHBondContact CB-O 3.14Å; A511-I587 HydrophobicContact CB-CB 4.16Å; A511-I587 HydrophobicContact CB-CG2 4.02Å; A511-R588 HydrophobicContact CB-CB 3.67Å; A511-R588 HydrophobicContact CB-CG 4.38Å
512	M	97.9	Very high	93.4	Very high	10 Å²	10	24 Å²	24	5%	0.049	13%	0.133	C	C	.	.	H	α-helix	trans	-68.8	-30.7	-177.8	-71.1	-67.2	-69.8	0	0	113.4	T508 I509 C518 L547 I550 Y551 L581 A584	T508-M512 HydrophobicContact CG2-CG 4.48Å; T508-M512 WeakPolarHBondContact O-CB 3.41Å; T508-M512 VanDerWaalsContact O-CG 3.24Å; T508-M512 WeakPolarHBondContact O-CG 3.17Å; T508-M512 PolarHBondContact O-N 2.94Å; I509-M512 PolarHBondContact O-N 3.12Å; I509-M512 VanDerWaalsContact O-N 3.14Å; M512-C518 HydrophobicContact CE-CB 3.91Å; M512-L547 HydrophobicContact CB-CB 3.98Å; M512-L547 HydrophobicContact CB-CD1 4.14Å; M512-L547 HydrophobicContact CB-CD2 4.44Å; M512-L547 HydrophobicContact CB-CG 4.41Å; M512-L547 HydrophobicContact CE-CB 4.43Å; M512-L547 HydrophobicContact CE-CD2 4.04Å; M512-L547 HydrophobicContact CG-CB 4.32Å; M512-I550 HydrophobicContact CE-CB 4.42Å; M512-I550 HydrophobicContact CE-CG2 4.12Å; M512-Y551 HydrophobicContact CG-CD2 4.25Å; M512-Y551 HydrophobicContact SD-CD2 3.76Å; M512-Y551 HydrophobicContact SD-CG 4.36Å; M512-L581 HydrophobicContact CE-CD2 3.74Å; M512-L581 HydrophobicContact SD-CD2 3.92Å; M512-A584 HydrophobicContact SD-CB 3.72Å
513	V	96.4	Very high	92.3	Very high	16 Å²	16	27.4 Å²	27.4	10%	0.097	16%	0.155	C	C	.	.	H	α-helix	trans	-84.1	-26.3	176.8	-58	0	0	0	0	113.2	L490 I509 A510 A511 L547 H668 I680	L490-V513 HydrophobicContact CD1-CG2 4.43Å; L490-V513 HydrophobicContact CD2-CG2 3.76Å; I509-V513 HydrophobicContact CG2-CG1 4.19Å; I509-V513 WeakPolarHBondContact O-CG1 3.47Å; I509-V513 WeakPolarHBondContact O-CG2 3.39Å; I509-V513 PolarHBondContact O-N 2.79Å; A510-V513 WeakPolarHBondContact O-CG2 3.37Å; A510-V513 PolarHBondContact O-N 2.83Å; A511-V513 PolarHBondContact O-N 2.88Å; V513-L547 HydrophobicContact CG1-CD1 3.72Å; V513-H668 WeakPolarHBondContact CB-NE2 3.35Å; V513-H668 VanDerWaalsContact CG2-CE1 3.5Å; V513-H668 WeakPolarHBondContact CG2-CE1 3.41Å; V513-H668 WeakPolarHBondContact CG2-NE2 3.18Å; V513-I680 HydrophobicContact CB-CD1 4.45Å; V513-I680 HydrophobicContact CG1-CD1 3.9Å; V513-I680 HydrophobicContact CG1-CG2 4.45Å
514	T	94.9	Very high	91.4	Very high	53 Å²	53	35.7 Å²	35.7	33%	0.325	19%	0.194	S	C	.	.	H	α-helix	trans	-82.6	-33.4	176.2	-59.8	0	0	0	0	112.5	F148 L486 A510 A511 I587	F148-T514 HydrophobicContact CE2-CG2 4.01Å; F148-T514 HydrophobicContact CZ-CG2 3.99Å; L486-T514 HydrophobicContact CD2-CG2 3.96Å; L486-T514 WeakPolarHBondContact CD2-OG1 3.5Å; A510-T514 VanDerWaalsContact O-CB 3.3Å; A510-T514 WeakPolarHBondContact O-CB 3.42Å; A510-T514 PolarHBondContact O-N 3.26Å; A510-T514 PolarHBondContact O-OG1 2.88Å; A511-T514 PolarHBondContact O-N 2.73Å; T514-I587 HydrophobicContact CG2-CD1 4.04Å
515	A	92.8	Very high	90.7	Very high	11 Å²	11	38.2 Å²	38.2	9%	0.091	22%	0.222	C	C	.	.	S	Bend	trans	-62.4	160.8	172.9	0	0	0	0	0	111.9	A511 M583 A584 I587	A511-A515 VanDerWaalsContact O-CB 3.27Å; A511-A515 WeakPolarHBondContact O-CB 3.37Å; A511-A515 PolarHBondContact O-N 3.48Å; A515-M583 HydrophobicContact CB-CG 4.39Å; A515-A584 HydrophobicContact CB-CB 3.94Å; A515-I587 HydrophobicContact CB-CD1 3.97Å
516	P	89.3	Confident	90.2	Very high	56 Å²	56	39.2 Å²	39.2	36%	0.364	23%	0.23	S	C	.	.	S	Bend	trans	-52.9	159.1	166.7	-23.8	34.3	0	0	0	111.6	C518 A580	P516-C518 PolarHBondContact O-N 2.91Å; P516-C518 VanDerWaalsContact O-N 3.15Å; P516-A580 HydrophobicContact CB-CB 4.13Å; P516-A580 WeakPolarHBondContact O-CB 3.35Å
517	N	88.9	Confident	89.7	Confident	98 Å²	98	43.8 Å²	43.8	52%	0.524	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-55.4	124.4	-179.3	-173.3	-1.3	0	0	0	110.9	F519	N517-F519 PolarHBondContact O-N 2.85Å; N517-F519 VanDerWaalsContact OD1-CD2 3.29Å; N517-F519 WeakPolarHBondContact OD1-CD2 3.37Å; N517-F519 PolarHBondContact OD1-N 3.28Å
518	C	91.9	Very high	89.3	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.027	29%	0.288	C	S	.	.	S	Bend	trans	-73	-14.9	-179.1	65.4	0	0	0	0	113.2	M512 P516 L576 N577 L581	M512-C518 HydrophobicContact CE-CB 3.91Å; P516-C518 PolarHBondContact O-N 2.91Å; P516-C518 VanDerWaalsContact O-N 3.15Å; C518-L576 CarbonylContact O-C 3.57Å; C518-L576 VanDerWaalsContact O-CA 3.27Å; C518-L576 WeakPolarHBondContact O-CA 3.35Å; C518-N577 PolarHBondContact O-N 3.32Å; C518-L581 HydrophobicContact CB-CD2 4.04Å; C518-L581 HydrophobicContact CB-CG 4.46Å
519	F	90.7	Very high	89	Confident	47 Å²	47	53.9 Å²	53.9	21%	0.206	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-83.2	125.2	172.8	-60.3	-71.7	0	0	0	110.2	N517 W534 I550 L576	N517-F519 PolarHBondContact O-N 2.85Å; N517-F519 VanDerWaalsContact OD1-CD2 3.29Å; N517-F519 WeakPolarHBondContact OD1-CD2 3.37Å; N517-F519 PolarHBondContact OD1-N 3.28Å; F519-W534 HydrophobicContact CB-CH2 4.31Å; F519-W534 HydrophobicContact CB-CZ2 4.01Å; F519-W534 AromaticContact CD1-CD2 3.77Å; F519-W534 HydrophobicContact CD1-CD2 3.77Å; F519-W534 AromaticContact CD1-CE2 3.45Å; F519-W534 VanDerWaalsContact CD1-CE2 3.45Å; F519-W534 HydrophobicContact CD1-CE3 4.34Å; F519-W534 HydrophobicContact CD1-CG 4.12Å; F519-W534 HydrophobicContact CD1-CH2 4.32Å; F519-W534 AromaticContact CD1-CZ2 3.75Å; F519-W534 HydrophobicContact CD1-CZ2 3.75Å; F519-W534 AromaticContact CD1-NE1 3.63Å; F519-W534 HydrophobicContact CE1-CB 4.47Å; F519-W534 AromaticContact CE1-CD1 3.96Å; F519-W534 AromaticContact CE1-CD2 3.92Å; F519-W534 HydrophobicContact CE1-CD2 3.92Å; F519-W534 AromaticContact CE1-CG 3.88Å; F519-W534 HydrophobicContact CE1-CG 3.88Å; F519-W534 HydrophobicContact CG-CZ2 4.26Å; F519-I550 HydrophobicContact CE1-CD1 3.94Å; F519-I550 HydrophobicContact CZ-CD1 3.69Å; F519-L576 HydrophobicContact CD1-CD2 4.12Å; F519-L576 HydrophobicContact CE1-CD2 4.35Å
520	S	85.1	Confident	88.6	Confident	38 Å²	38	53.9 Å²	53.9	27%	0.266	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-73	159.9	177.3	-71.3	0	0	0	0	112	V522 F575 L576 N577	S520-V522 PolarHBondContact O-N 3.33Å; S520-F575 WeakPolarHBondContact CB-O 3.43Å; S520-F575 PolarHBondContact N-O 2.63Å; S520-L576 PolarHBondContact OG-O 2.87Å; S520-N577 WeakPolarHBondContact OG-CA 3.15Å; S520-N577 PolarHBondContact OG-N 2.87Å; S520-N577 VanDerWaalsContact OG-N 3.13Å
521	H	76.6	Confident	88.2	Confident	126 Å²	126	56.5 Å²	56.5	58%	0.583	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-57.8	127.6	166.6	-176.4	-86	0	0	0	109.6
522	V	79.4	Confident	87.9	Confident	29 Å²	29	60.7 Å²	60.7	18%	0.176	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-91.5	122.6	-178.2	-176.3	0	0	0	0	108.7	S520 A526 E527 A530 W534 F575	S520-V522 PolarHBondContact O-N 3.33Å; V522-A526 HydrophobicContact CG1-CB 4.09Å; V522-E527 HydrophobicContact CG1-CG 4.28Å; V522-A530 HydrophobicContact CG1-CB 3.81Å; V522-A530 HydrophobicContact CG2-CB 3.84Å; V522-W534 HydrophobicContact CG2-CH2 3.55Å; V522-W534 HydrophobicContact CG2-CZ2 3.82Å; V522-F575 HydrophobicContact CG1-CD1 4.49Å
523	P	74.9	Confident	87.6	Confident	74 Å²	74	61.6 Å²	61.6	48%	0.481	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-59	144.4	174.8	-22.7	33.3	0	0	0	111.6	G525 A526	P523-G525 PolarHBondContact O-N 3.39Å; P523-A526 HydrophobicContact CB-CB 4.39Å; P523-A526 WeakPolarHBondContact O-CB 2.94Å; P523-A526 PolarHBondContact O-N 2.76Å
524	H	76.8	Confident	87.4	Confident	174 Å²	174	62.1 Å²	62.1	81%	0.806	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	126.8	177.8	-176.5	-69.8	0	0	0	111.2	E527	H524-E527 WeakPolarHBondContact CA-OE1 3.41Å
525	G	82.6	Confident	87.2	Confident	62 Å²	62	64.6 Å²	64.6	64%	0.639	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	-4	-177.8	0	0	0	0	0	115	P523 E527	P523-G525 PolarHBondContact O-N 3.39Å; G525-E527 WeakPolarHBondContact CA-OE2 3.26Å; G525-E527 VanDerWaalsContact N-CD 3.32Å; G525-E527 PolarHBondContact N-OE1 3.03Å; G525-E527 VanDerWaalsContact N-OE1 3.08Å; G525-E527 PolarHBondContact N-OE2 3.08Å
526	A	87.3	Confident	87.3	Confident	22 Å²	22	68.5 Å²	68.5	18%	0.182	38%	0.383	C	S	.	.			trans	-100.4	6.8	175.2	0	0	0	0	0	113.3	V522 P523 E528 A529 A530 F575	V522-A526 HydrophobicContact CG1-CB 4.09Å; P523-A526 HydrophobicContact CB-CB 4.39Å; P523-A526 WeakPolarHBondContact O-CB 2.94Å; P523-A526 PolarHBondContact O-N 2.76Å; A526-E528 PolarHBondContact O-N 3.25Å; A526-A529 WeakPolarHBondContact O-CB 3.37Å; A526-A529 PolarHBondContact O-N 2.83Å; A526-A529 VanDerWaalsContact O-N 3.17Å; A526-A530 PolarHBondContact O-N 3.07Å; A526-F575 HydrophobicContact CB-CE1 4.04Å; A526-F575 HydrophobicContact CB-CZ 4.22Å
527	E	87.9	Confident	87.6	Confident	96 Å²	96	66.7 Å²	66.7	45%	0.449	37%	0.37	S	S	.	.	H	α-helix	trans	-62	-42.4	-172.8	-57.7	83.7	175.3	0	0	112.5	V522 H524 G525 A529 A530 L531	V522-E527 HydrophobicContact CG1-CG 4.28Å; H524-E527 WeakPolarHBondContact CA-OE1 3.41Å; G525-E527 WeakPolarHBondContact CA-OE2 3.26Å; G525-E527 VanDerWaalsContact N-CD 3.32Å; G525-E527 PolarHBondContact N-OE1 3.03Å; G525-E527 VanDerWaalsContact N-OE1 3.08Å; G525-E527 PolarHBondContact N-OE2 3.08Å; E527-A529 VanDerWaalsContact C-N 3.33Å; E527-A529 PolarHBondContact O-N 3Å; E527-A530 PolarHBondContact O-N 3.35Å; E527-L531 VanDerWaalsContact O-CB 3.3Å; E527-L531 WeakPolarHBondContact O-CB 3.33Å; E527-L531 PolarHBondContact O-N 3.14Å
528	E	89.8	Confident	87.8	Confident	163 Å²	163	64.2 Å²	64.2	76%	0.762	36%	0.356	S	S	*	.	H	α-helix	trans	-66.9	-35.7	177.5	-65.8	-172.5	170	0	0	112.3	A526 T532	A526-E528 PolarHBondContact O-N 3.25Å; E528-T532 WeakPolarHBondContact O-CB 3.24Å; E528-T532 PolarHBondContact O-N 3.16Å; E528-T532 PolarHBondContact O-OG1 3.43Å
529	A	91	Very high	88	Confident	51 Å²	51	65.7 Å²	65.7	42%	0.421	36%	0.363	S	S	.	.	H	α-helix	trans	-68.9	-46.7	177.2	0	0	0	0	0	110.8	A526 E527 L531 T532 C533 F575	A526-A529 WeakPolarHBondContact O-CB 3.37Å; A526-A529 PolarHBondContact O-N 2.83Å; A526-A529 VanDerWaalsContact O-N 3.17Å; E527-A529 VanDerWaalsContact C-N 3.33Å; E527-A529 PolarHBondContact O-N 3Å; A529-L531 PolarHBondContact O-N 2.58Å; A529-T532 WeakPolarHBondContact O-CB 3.44Å; A529-T532 PolarHBondContact O-N 2.88Å; A529-T532 VanDerWaalsContact O-N 3.16Å; A529-C533 PolarHBondContact O-N 2.95Å; A529-C533 PolarHBondContact O-SG 3.44Å; A529-F575 HydrophobicContact CB-CE2 4.46Å; A529-F575 HydrophobicContact CB-CZ 4.43Å
530	A	90	Very high	88.1	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.008	38%	0.383	C	S	.	.	H	α-helix	trans	-59	-47	175.2	0	0	0	0	0	111.3	V522 A526 E527 T532 C533 W534 F575	V522-A530 HydrophobicContact CG1-CB 3.81Å; V522-A530 HydrophobicContact CG2-CB 3.84Å; A526-A530 PolarHBondContact O-N 3.07Å; E527-A530 PolarHBondContact O-N 3.35Å; A530-T532 VanDerWaalsContact C-N 3.27Å; A530-T532 PolarHBondContact O-N 2.81Å; A530-C533 WeakPolarHBondContact O-CB 3.43Å; A530-C533 PolarHBondContact O-N 2.76Å; A530-C533 VanDerWaalsContact O-N 3.12Å; A530-W534 HydrophobicContact CB-CH2 4.35Å; A530-W534 HydrophobicContact CB-CZ2 4.12Å; A530-W534 VanDerWaalsContact O-CG 3.22Å; A530-W534 PolarHBondContact O-N 2.87Å; A530-F575 HydrophobicContact CB-CB 4.16Å; A530-F575 HydrophobicContact CB-CD1 4.02Å; A530-F575 HydrophobicContact CB-CD2 3.8Å; A530-F575 HydrophobicContact CB-CE1 4.35Å; A530-F575 HydrophobicContact CB-CE2 4.15Å; A530-F575 HydrophobicContact CB-CG 3.72Å; A530-F575 HydrophobicContact CB-CZ 4.41Å
531	L	89.6	Confident	88.5	Confident	56 Å²	56	68.9 Å²	68.9	29%	0.293	38%	0.383	S	S	.	.	H	α-helix	trans	-59.3	-38.4	176.4	-168	101.4	0	0	0	112.1	E527 A529 W534 K535 V657	E527-L531 VanDerWaalsContact O-CB 3.3Å; E527-L531 WeakPolarHBondContact O-CB 3.33Å; E527-L531 PolarHBondContact O-N 3.14Å; A529-L531 PolarHBondContact O-N 2.58Å; L531-W534 PolarHBondContact O-N 3.49Å; L531-K535 VanDerWaalsContact O-CG 3.26Å; L531-K535 WeakPolarHBondContact O-CG 3.42Å; L531-K535 PolarHBondContact O-N 2.89Å; L531-V657 HydrophobicContact CD1-CG1 4.29Å; L531-V657 HydrophobicContact CD1-CG2 3.98Å; L531-V657 HydrophobicContact CD2-CG1 4.44Å; L531-V657 HydrophobicContact CG-CG1 4.37Å
532	T	91.9	Very high	89.5	Confident	88 Å²	88	62.9 Å²	62.9	54%	0.54	36%	0.355	S	S	.	.	H	α-helix	trans	-66.3	-39.7	177.3	-59.2	0	0	0	0	111.5	E528 A529 A530	E528-T532 WeakPolarHBondContact O-CB 3.24Å; E528-T532 PolarHBondContact O-N 3.16Å; E528-T532 PolarHBondContact O-OG1 3.43Å; A529-T532 WeakPolarHBondContact O-CB 3.44Å; A529-T532 PolarHBondContact O-N 2.88Å; A529-T532 VanDerWaalsContact O-N 3.16Å; A530-T532 VanDerWaalsContact C-N 3.27Å; A530-T532 PolarHBondContact O-N 2.81Å
533	C	91.9	Very high	90.3	Very high	29 Å²	29	62.4 Å²	62.4	20%	0.196	35%	0.351	C	S	.	.	H	α-helix	trans	-65	-49	174.4	-61.4	0	0	0	0	111	A529 A530 K535 T536 Y574 F575	A529-C533 PolarHBondContact O-N 2.95Å; A529-C533 PolarHBondContact O-SG 3.44Å; A530-C533 WeakPolarHBondContact O-CB 3.43Å; A530-C533 PolarHBondContact O-N 2.76Å; A530-C533 VanDerWaalsContact O-N 3.12Å; C533-K535 VanDerWaalsContact C-N 3.28Å; C533-K535 PolarHBondContact O-N 2.99Å; C533-T536 WeakPolarHBondContact O-CB 3.46Å; C533-T536 WeakPolarHBondContact O-CG2 3.32Å; C533-T536 PolarHBondContact O-N 3.15Å; C533-T536 PolarHBondContact O-OG1 2.91Å; C533-Y574 HydrophobicContact CB-CD1 4.07Å; C533-F575 HydrophobicContact CB-CD2 4.49Å
534	W	91.4	Very high	91.4	Very high	27 Å²	27	58.9 Å²	58.9	10%	0.102	33%	0.328	C	S	.	.	H	α-helix	trans	-64.6	-30.6	-177.8	-60.5	-17.6	0	0	0	113.3	F519 V522 A530 L531 T536 F537 L538 Y574 F575 L652	F519-W534 HydrophobicContact CB-CH2 4.31Å; F519-W534 HydrophobicContact CB-CZ2 4.01Å; F519-W534 AromaticContact CD1-CD2 3.77Å; F519-W534 HydrophobicContact CD1-CD2 3.77Å; F519-W534 AromaticContact CD1-CE2 3.45Å; F519-W534 VanDerWaalsContact CD1-CE2 3.45Å; F519-W534 HydrophobicContact CD1-CE3 4.34Å; F519-W534 HydrophobicContact CD1-CG 4.12Å; F519-W534 HydrophobicContact CD1-CH2 4.32Å; F519-W534 AromaticContact CD1-CZ2 3.75Å; F519-W534 HydrophobicContact CD1-CZ2 3.75Å; F519-W534 AromaticContact CD1-NE1 3.63Å; F519-W534 HydrophobicContact CE1-CB 4.47Å; F519-W534 AromaticContact CE1-CD1 3.96Å; F519-W534 AromaticContact CE1-CD2 3.92Å; F519-W534 HydrophobicContact CE1-CD2 3.92Å; F519-W534 AromaticContact CE1-CG 3.88Å; F519-W534 HydrophobicContact CE1-CG 3.88Å; F519-W534 HydrophobicContact CG-CZ2 4.26Å; V522-W534 HydrophobicContact CG2-CH2 3.55Å; V522-W534 HydrophobicContact CG2-CZ2 3.82Å; A530-W534 HydrophobicContact CB-CH2 4.35Å; A530-W534 HydrophobicContact CB-CZ2 4.12Å; A530-W534 VanDerWaalsContact O-CG 3.22Å; A530-W534 PolarHBondContact O-N 2.87Å; L531-W534 PolarHBondContact O-N 3.49Å; W534-T536 PolarHBondContact O-N 3.43Å; W534-T536 VanDerWaalsContact O-N 3.09Å; W534-F537 PolarHBondContact O-N 3Å; W534-L538 PolarHBondContact O-N 3.1Å; W534-Y574 PolarHBondContact NE1-O 2.84Å; W534-Y574 VanDerWaalsContact NE1-O 3.13Å; W534-F575 HydrophobicContact CZ2-CB 4.1Å; W534-L652 HydrophobicContact CE3-CD2 4.41Å; W534-L652 HydrophobicContact CZ3-CD1 4.11Å; W534-L652 HydrophobicContact CZ3-CD2 3.76Å
535	K	92.4	Very high	92.4	Very high	104 Å²	104	50.6 Å²	50.6	45%	0.452	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-27.2	172.5	-83.2	172	-176.2	173.4	0	113.6	L531 C533 F537 L538 V657	L531-K535 VanDerWaalsContact O-CG 3.26Å; L531-K535 WeakPolarHBondContact O-CG 3.42Å; L531-K535 PolarHBondContact O-N 2.89Å; C533-K535 VanDerWaalsContact C-N 3.28Å; C533-K535 PolarHBondContact O-N 2.99Å; K535-F537 VanDerWaalsContact C-N 3.26Å; K535-F537 PolarHBondContact O-N 3.14Å; K535-L538 HydrophobicContact CB-CD1 4.44Å; K535-L538 HydrophobicContact CG-CD1 4.01Å; K535-V657 HydrophobicContact CD-CG1 4.39Å; K535-V657 HydrophobicContact CG-CG1 3.95Å
536	T	93.9	Very high	93.1	Very high	93 Å²	93	48 Å²	48	57%	0.571	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-22.6	179.4	67.1	0	0	0	0	113.3	C533 W534	C533-T536 WeakPolarHBondContact O-CB 3.46Å; C533-T536 WeakPolarHBondContact O-CG2 3.32Å; C533-T536 PolarHBondContact O-N 3.15Å; C533-T536 PolarHBondContact O-OG1 2.91Å; W534-T536 PolarHBondContact O-N 3.43Å; W534-T536 VanDerWaalsContact O-N 3.09Å
537	F	95	Very high	93.6	Very high	19 Å²	19	47.7 Å²	47.7	8%	0.083	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-12.7	-179.6	-54.4	-63.9	0	0	0	113.7	W534 K535 H539 T546 S549 I550 A553 W570 Y574 L576	W534-F537 PolarHBondContact O-N 3Å; K535-F537 VanDerWaalsContact C-N 3.26Å; K535-F537 PolarHBondContact O-N 3.14Å; F537-H539 PolarHBondContact O-N 3.37Å; F537-T546 HydrophobicContact CB-CG2 4.4Å; F537-S549 VanDerWaalsContact O-CB 3.3Å; F537-S549 WeakPolarHBondContact O-CB 3.36Å; F537-S549 PolarHBondContact O-OG 3.33Å; F537-I550 HydrophobicContact CB-CD1 4.43Å; F537-I550 HydrophobicContact CB-CG1 3.64Å; F537-I550 HydrophobicContact CD1-CG1 4.31Å; F537-I550 HydrophobicContact CD2-CG1 4.01Å; F537-I550 HydrophobicContact CG-CG1 3.74Å; F537-A553 HydrophobicContact CD1-CB 4.21Å; F537-A553 HydrophobicContact CE1-CB 3.66Å; F537-W570 HydrophobicContact CE1-CH2 4.44Å; F537-W570 HydrophobicContact CE1-CZ2 4.08Å; F537-W570 HydrophobicContact CZ-CH2 4.14Å; F537-W570 AromaticContact CZ-CZ2 3.8Å; F537-W570 HydrophobicContact CZ-CZ2 3.8Å; F537-Y574 AromaticContact CE2-CD1 3.49Å; F537-Y574 HydrophobicContact CE2-CD1 3.49Å; F537-Y574 VanDerWaalsContact CE2-CD1 3.49Å; F537-Y574 HydrophobicContact CE2-CE1 4.19Å; F537-Y574 HydrophobicContact CE2-CG 4.16Å; F537-Y574 AromaticContact CZ-CD1 3.42Å; F537-Y574 HydrophobicContact CZ-CD1 3.42Å; F537-Y574 VanDerWaalsContact CZ-CD1 3.42Å; F537-Y574 AromaticContact CZ-CE1 3.8Å; F537-Y574 HydrophobicContact CZ-CE1 3.8Å; F537-Y574 HydrophobicContact CZ-CG 4Å; F537-L576 HydrophobicContact CE2-CD1 4.21Å; F537-L576 HydrophobicContact CZ-CD1 4.39Å
538	L	94.6	Very high	94	Very high	45 Å²	45	43.1 Å²	43.1	24%	0.236	24%	0.235	C	C	.	.			trans	-58.2	127.5	-175	-68.1	-177.7	0	0	0	111.1	W534 K535 T546 V657 T658	W534-L538 PolarHBondContact O-N 3.1Å; K535-L538 HydrophobicContact CB-CD1 4.44Å; K535-L538 HydrophobicContact CG-CD1 4.01Å; L538-T546 HydrophobicContact CD2-CG2 4.07Å; L538-V657 HydrophobicContact CD1-CB 4.22Å; L538-V657 HydrophobicContact CD1-CG1 3.98Å; L538-T658 HydrophobicContact CD1-CG2 4.18Å
539	H	95.3	Very high	94.4	Very high	36 Å²	36	36.6 Å²	36.6	17%	0.167	21%	0.208	C	C	.	.			trans	-104.5	136	175.3	-163.5	-87.3	0	0	0	110.5	F537 E541 G542 F545 T546	F537-H539 PolarHBondContact O-N 3.37Å; H539-E541 VanDerWaalsContact CE1-CG 3.41Å; H539-E541 WeakPolarHBondContact CE1-CG 3.34Å; H539-E541 WeakPolarHBondContact ND1-CB 3.26Å; H539-E541 PolarHBondContact ND1-N 3.17Å; H539-E541 PolarHBondContact O-N 3.12Å; H539-G542 PolarHBondContact O-N 2.65Å; H539-F545 HydrophobicContact CB-CB 3.53Å; H539-F545 AromaticContact CE1-CD1 3.75Å; H539-F545 VanDerWaalsContact CG-CB 3.4Å; H539-F545 VanDerWaalsContact ND1-CB 3.27Å; H539-F545 WeakPolarHBondContact ND1-CB 3.34Å; H539-F545 AromaticContact ND1-CD1 3.77Å; H539-F545 AromaticContact ND1-CG 3.66Å; H539-T546 PolarHBondContact N-OG1 3.49Å
540	P	92.9	Very high	94.7	Very high	97 Å²	97	34.1 Å²	34.1	63%	0.63	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-28.6	-176.9	23.8	-34.7	0	0	0	113.8	G542 Y655	P540-G542 PolarHBondContact O-N 3.03Å; P540-Y655 WeakPolarHBondContact O-CE1 3.43Å
541	E	94.4	Very high	95.1	Very high	55 Å²	55	34.7 Å²	34.7	26%	0.257	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-1.3	177.9	-54.7	-64.3	148.1	0	0	113.7	H539 F545 C613 K617 Y655 S682	H539-E541 VanDerWaalsContact CE1-CG 3.41Å; H539-E541 WeakPolarHBondContact CE1-CG 3.34Å; H539-E541 WeakPolarHBondContact ND1-CB 3.26Å; H539-E541 PolarHBondContact ND1-N 3.17Å; H539-E541 PolarHBondContact O-N 3.12Å; E541-F545 HydrophobicContact CB-CB 4.37Å; E541-F545 HydrophobicContact CB-CD1 3.91Å; E541-F545 HydrophobicContact CB-CD2 3.52Å; E541-F545 HydrophobicContact CB-CE1 4.06Å; E541-F545 HydrophobicContact CB-CE2 3.66Å; E541-F545 HydrophobicContact CB-CG 3.67Å; E541-F545 HydrophobicContact CB-CZ 3.95Å; E541-F545 HydrophobicContact CG-CD1 4.41Å; E541-F545 HydrophobicContact CG-CE1 4.4Å; E541-F545 WeakPolarHBondContact O-CD2 3.49Å; E541-C613 HydrophobicContact CG-CB 4.48Å; E541-K617 WeakPolarHBondContact OE2-CE 3.49Å; E541-K617 IonicContact OE2-NZ 2.86Å; E541-K617 PolarHBondContact OE2-NZ 2.97Å; E541-Y655 PolarHBondContact O-OH 3.31Å; E541-Y655 VanDerWaalsContact O-OH 3.06Å; E541-S682 WeakPolarHBondContact O-CB 3.5Å; E541-S682 PolarHBondContact O-OG 3.02Å
542	G	95.6	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.			trans	117.7	-168.9	168.9	0	0	0	0	0	115.5	H539 P540 F545 T546 Y655 T681	H539-G542 PolarHBondContact O-N 2.65Å; P540-G542 PolarHBondContact O-N 3.03Å; G542-F545 PolarHBondContact O-N 3.37Å; G542-T546 PolarHBondContact O-N 3.28Å; G542-T546 PolarHBondContact O-OG1 3.28Å; G542-Y655 VanDerWaalsContact CA-CZ 3.49Å; G542-Y655 WeakPolarHBondContact CA-OH 3.4Å; G542-Y655 PolarHBondContact N-OH 3.46Å; G542-T681 CarbonylContact C-O 3.58Å; G542-T681 WeakPolarHBondContact CA-O 3.26Å
543	D	96.9	Very high	95.6	Very high	19 Å²	19	32 Å²	32	10%	0.102	17%	0.172	C	C	.	.	H	α-helix	trans	-70.7	-36.7	-170.8	-57.7	-37.4	0	0	0	112	F545 T546 L547 S653 G654 I680 T681	D543-F545 VanDerWaalsContact C-N 3.26Å; D543-F545 PolarHBondContact O-N 2.78Å; D543-T546 WeakPolarHBondContact O-CA 3.34Å; D543-T546 WeakPolarHBondContact O-CB 3.29Å; D543-T546 PolarHBondContact O-N 2.9Å; D543-T546 VanDerWaalsContact O-N 3.1Å; D543-L547 WeakPolarHBondContact O-CG 3.14Å; D543-L547 PolarHBondContact O-N 3Å; D543-S653 WeakPolarHBondContact OD1-CA 3.43Å; D543-S653 PolarHBondContact OD1-OG 3.37Å; D543-S653 WeakPolarHBondContact OD2-CB 3.43Å; D543-S653 PolarHBondContact OD2-OG 2.92Å; D543-G654 PolarHBondContact OD1-N 3.43Å; D543-I680 HydrophobicContact CB-CG2 4.14Å; D543-T681 PolarHBondContact N-O 3.4Å; D543-T681 PolarHBondContact OD2-N 2.62Å; D543-T681 PolarHBondContact OD2-OG1 2.94Å
544	H	97.8	Very high	95.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.2	-41.7	175.4	-62.7	92.8	0	0	0	111.6	I509 L547 I548 L620 I680 S682	I509-H544 HydrophobicContact CD1-CB 4.06Å; I509-H544 HydrophobicContact CG1-CB 4.42Å; H544-L547 PolarHBondContact O-N 3.06Å; H544-I548 PolarHBondContact O-N 3.29Å; H544-L620 HydrophobicContact CB-CD1 4.06Å; H544-I680 PolarHBondContact CE1-O 3.15Å; H544-S682 PolarHBondContact ND1-OG 2.74Å
545	F	97.7	Very high	96	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-72.3	-34.2	177.2	-66.9	-102.4	0	0	0	111.9	H539 E541 G542 D543 L547 I548 S549 F607 C613 I616 K617	H539-F545 HydrophobicContact CB-CB 3.53Å; H539-F545 AromaticContact CE1-CD1 3.75Å; H539-F545 VanDerWaalsContact CG-CB 3.4Å; H539-F545 VanDerWaalsContact ND1-CB 3.27Å; H539-F545 WeakPolarHBondContact ND1-CB 3.34Å; H539-F545 AromaticContact ND1-CD1 3.77Å; H539-F545 AromaticContact ND1-CG 3.66Å; E541-F545 HydrophobicContact CB-CB 4.37Å; E541-F545 HydrophobicContact CB-CD1 3.91Å; E541-F545 HydrophobicContact CB-CD2 3.52Å; E541-F545 HydrophobicContact CB-CE1 4.06Å; E541-F545 HydrophobicContact CB-CE2 3.66Å; E541-F545 HydrophobicContact CB-CG 3.67Å; E541-F545 HydrophobicContact CB-CZ 3.95Å; E541-F545 HydrophobicContact CG-CD1 4.41Å; E541-F545 HydrophobicContact CG-CE1 4.4Å; E541-F545 WeakPolarHBondContact O-CD2 3.49Å; G542-F545 PolarHBondContact O-N 3.37Å; D543-F545 VanDerWaalsContact C-N 3.26Å; D543-F545 PolarHBondContact O-N 2.78Å; F545-L547 VanDerWaalsContact C-N 3.29Å; F545-L547 PolarHBondContact O-N 3.3Å; F545-I548 WeakPolarHBondContact O-CB 3.42Å; F545-I548 PolarHBondContact O-N 3.37Å; F545-S549 PolarHBondContact O-N 3.02Å; F545-S549 PolarHBondContact O-OG 2.72Å; F545-F607 AromaticContact CD1-CE2 3.78Å; F545-F607 HydrophobicContact CD1-CE2 3.78Å; F545-F607 HydrophobicContact CD1-CZ 4.4Å; F545-C613 HydrophobicContact CE1-CB 3.97Å; F545-C613 HydrophobicContact CZ-CB 4.38Å; F545-I616 HydrophobicContact CD1-CD1 4.49Å; F545-I616 HydrophobicContact CE1-CB 4.25Å; F545-I616 HydrophobicContact CE1-CD1 3.83Å; F545-I616 HydrophobicContact CE1-CG2 4.23Å; F545-I616 HydrophobicContact CE2-CG2 4.27Å; F545-I616 HydrophobicContact CZ-CB 3.97Å; F545-I616 HydrophobicContact CZ-CD1 4.41Å; F545-I616 HydrophobicContact CZ-CG2 3.78Å; F545-K617 HydrophobicContact CE2-CG 4.22Å; F545-K617 HydrophobicContact CZ-CG 4.1Å
546	T	97	Very high	96	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.043	17%	0.172	C	C	.	.	H	α-helix	trans	-61.1	-39.4	172.8	-59.2	0	0	0	0	111	F537 L538 H539 G542 D543 I548 S549 I550	F537-T546 HydrophobicContact CB-CG2 4.4Å; L538-T546 HydrophobicContact CD2-CG2 4.07Å; H539-T546 PolarHBondContact N-OG1 3.49Å; G542-T546 PolarHBondContact O-N 3.28Å; G542-T546 PolarHBondContact O-OG1 3.28Å; D543-T546 WeakPolarHBondContact O-CA 3.34Å; D543-T546 WeakPolarHBondContact O-CB 3.29Å; D543-T546 PolarHBondContact O-N 2.9Å; D543-T546 VanDerWaalsContact O-N 3.1Å; T546-I548 VanDerWaalsContact C-N 3.34Å; T546-I548 PolarHBondContact O-N 3.37Å; T546-S549 WeakPolarHBondContact O-CB 3.35Å; T546-S549 PolarHBondContact O-N 2.96Å; T546-I550 HydrophobicContact CG2-CD1 4.15Å; T546-I550 WeakPolarHBondContact O-CG1 3.37Å; T546-I550 PolarHBondContact O-N 3.07Å
547	L	97.8	Very high	96	Very high	15 Å²	15	28.3 Å²	28.3	8%	0.079	15%	0.153	C	C	.	.	H	α-helix	trans	-62.4	-39.9	174.5	-65.9	175.5	0	0	0	112.1	M512 V513 D543 H544 F545 I550 Y551 I680	M512-L547 HydrophobicContact CB-CB 3.98Å; M512-L547 HydrophobicContact CB-CD1 4.14Å; M512-L547 HydrophobicContact CB-CD2 4.44Å; M512-L547 HydrophobicContact CB-CG 4.41Å; M512-L547 HydrophobicContact CE-CB 4.43Å; M512-L547 HydrophobicContact CE-CD2 4.04Å; M512-L547 HydrophobicContact CG-CB 4.32Å; V513-L547 HydrophobicContact CG1-CD1 3.72Å; D543-L547 WeakPolarHBondContact O-CG 3.14Å; D543-L547 PolarHBondContact O-N 3Å; H544-L547 PolarHBondContact O-N 3.06Å; F545-L547 VanDerWaalsContact C-N 3.29Å; F545-L547 PolarHBondContact O-N 3.3Å; L547-I550 PolarHBondContact O-N 3.33Å; L547-Y551 WeakPolarHBondContact O-CB 3.23Å; L547-Y551 PolarHBondContact O-N 3.06Å; L547-I680 HydrophobicContact CD1-CD1 4.49Å; L547-I680 HydrophobicContact CD1-CG2 4.04Å
548	I	97.8	Very high	95.8	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.3	-46	172.5	-61.3	167.2	0	0	0	110.4	E505 T508 I509 H544 F545 T546 I550 Y551 K552 F607 I616	E505-I548 HydrophobicContact CB-CD1 3.83Å; E505-I548 HydrophobicContact CG-CD1 4.25Å; T508-I548 HydrophobicContact CG2-CG1 4.29Å; I509-I548 HydrophobicContact CD1-CD1 3.71Å; I509-I548 HydrophobicContact CD1-CG1 4.26Å; I509-I548 HydrophobicContact CG1-CD1 3.76Å; I509-I548 HydrophobicContact CG1-CG1 3.71Å; H544-I548 PolarHBondContact O-N 3.29Å; F545-I548 WeakPolarHBondContact O-CB 3.42Å; F545-I548 PolarHBondContact O-N 3.37Å; T546-I548 VanDerWaalsContact C-N 3.34Å; T546-I548 PolarHBondContact O-N 3.37Å; I548-I550 VanDerWaalsContact C-N 3.34Å; I548-I550 PolarHBondContact O-N 3.14Å; I548-Y551 PolarHBondContact O-N 3.2Å; I548-K552 HydrophobicContact CG2-CD 4.06Å; I548-K552 HydrophobicContact CG2-CG 4.25Å; I548-K552 WeakPolarHBondContact O-CG 3.5Å; I548-K552 PolarHBondContact O-N 3.39Å; I548-F607 HydrophobicContact CB-CE1 4.44Å; I548-F607 HydrophobicContact CB-CE2 3.93Å; I548-F607 HydrophobicContact CB-CZ 3.88Å; I548-F607 HydrophobicContact CD1-CD2 4.07Å; I548-F607 HydrophobicContact CD1-CE2 3.66Å; I548-F607 HydrophobicContact CD1-CZ 4.44Å; I548-F607 HydrophobicContact CG1-CE2 4.42Å; I548-F607 HydrophobicContact CG2-CD1 3.98Å; I548-F607 HydrophobicContact CG2-CD2 3.87Å; I548-F607 HydrophobicContact CG2-CE1 3.83Å; I548-F607 HydrophobicContact CG2-CE2 3.7Å; I548-F607 HydrophobicContact CG2-CG 4Å; I548-F607 HydrophobicContact CG2-CZ 3.68Å; I548-I616 HydrophobicContact CD1-CD1 4.19Å
549	S	97.5	Very high	95.6	Very high	26 Å²	26	34.1 Å²	34.1	18%	0.182	19%	0.187	C	C	.	.	H	α-helix	trans	-58.1	-44.9	178.1	-60.9	0	0	0	0	112.3	F537 F545 T546 A553	F537-S549 VanDerWaalsContact O-CB 3.3Å; F537-S549 WeakPolarHBondContact O-CB 3.36Å; F537-S549 PolarHBondContact O-OG 3.33Å; F545-S549 PolarHBondContact O-N 3.02Å; F545-S549 PolarHBondContact O-OG 2.72Å; T546-S549 WeakPolarHBondContact O-CB 3.35Å; T546-S549 PolarHBondContact O-N 2.96Å; S549-A553 WeakPolarHBondContact O-CB 3.21Å; S549-A553 PolarHBondContact O-N 3.28Å
550	I	97.4	Very high	95.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-48.5	177	-68	168.8	0	0	0	110.1	M512 F519 F537 T546 L547 I548 K552 A553 Y554 L576 L581	M512-I550 HydrophobicContact CE-CB 4.42Å; M512-I550 HydrophobicContact CE-CG2 4.12Å; F519-I550 HydrophobicContact CE1-CD1 3.94Å; F519-I550 HydrophobicContact CZ-CD1 3.69Å; F537-I550 HydrophobicContact CB-CD1 4.43Å; F537-I550 HydrophobicContact CB-CG1 3.64Å; F537-I550 HydrophobicContact CD1-CG1 4.31Å; F537-I550 HydrophobicContact CD2-CG1 4.01Å; F537-I550 HydrophobicContact CG-CG1 3.74Å; T546-I550 HydrophobicContact CG2-CD1 4.15Å; T546-I550 WeakPolarHBondContact O-CG1 3.37Å; T546-I550 PolarHBondContact O-N 3.07Å; L547-I550 PolarHBondContact O-N 3.33Å; I548-I550 VanDerWaalsContact C-N 3.34Å; I548-I550 PolarHBondContact O-N 3.14Å; I550-K552 PolarHBondContact O-N 3.21Å; I550-A553 PolarHBondContact O-N 2.94Å; I550-Y554 WeakPolarHBondContact O-CB 3.45Å; I550-Y554 PolarHBondContact O-N 3.03Å; I550-L576 HydrophobicContact CG2-CD1 4Å; I550-L576 HydrophobicContact CG2-CD2 4.23Å; I550-L581 HydrophobicContact CG2-CD2 4.07Å
551	Y	97.8	Very high	95.1	Very high	13 Å²	13	36 Å²	36	5%	0.051	20%	0.195	C	C	.	.	H	α-helix	trans	-61.2	-43.7	-179.2	-175.7	-96.9	0	0	0	112.3	T508 M512 L547 I548 Y554 Q555 A584 D585 R588	T508-Y551 HydrophobicContact CG2-CD1 3.32Å; T508-Y551 HydrophobicContact CG2-CD2 4.31Å; T508-Y551 HydrophobicContact CG2-CE1 4.04Å; T508-Y551 HydrophobicContact CG2-CG 3.48Å; T508-Y551 VanDerWaalsContact CG2-CG 3.48Å; M512-Y551 HydrophobicContact CG-CD2 4.25Å; M512-Y551 HydrophobicContact SD-CD2 3.76Å; M512-Y551 HydrophobicContact SD-CG 4.36Å; L547-Y551 WeakPolarHBondContact O-CB 3.23Å; L547-Y551 PolarHBondContact O-N 3.06Å; I548-Y551 PolarHBondContact O-N 3.2Å; Y551-Y554 WeakPolarHBondContact O-CB 3.48Å; Y551-Y554 PolarHBondContact O-N 3.22Å; Y551-Q555 HydrophobicContact CD1-CG 4.01Å; Y551-Q555 HydrophobicContact CE1-CG 3.57Å; Y551-Q555 WeakPolarHBondContact O-CB 3.2Å; Y551-Q555 WeakPolarHBondContact O-CG 3.38Å; Y551-Q555 PolarHBondContact O-N 2.61Å; Y551-Q555 PolarHBondContact OH-NE2 2.9Å; Y551-A584 HydrophobicContact CE2-CB 4.43Å; Y551-D585 WeakPolarHBondContact CE2-OD1 3.47Å; Y551-D585 PolarHBondContact OH-OD1 3.13Å; Y551-R588 VanDerWaalsContact OH-CD 3.27Å; Y551-R588 WeakPolarHBondContact OH-CD 3.13Å
552	K	95.9	Very high	94.3	Very high	63 Å²	63	40.4 Å²	40.4	27%	0.274	23%	0.226	S	C	.	.	H	α-helix	trans	-63.9	-44.3	176.7	-73.2	-170.7	174.6	-162.6	0	112.3	I548 I550 Y554 Q555 D556 F607	I548-K552 HydrophobicContact CG2-CD 4.06Å; I548-K552 HydrophobicContact CG2-CG 4.25Å; I548-K552 WeakPolarHBondContact O-CG 3.5Å; I548-K552 PolarHBondContact O-N 3.39Å; I550-K552 PolarHBondContact O-N 3.21Å; K552-Y554 VanDerWaalsContact C-N 3.27Å; K552-Y554 PolarHBondContact O-N 2.77Å; K552-Q555 PolarHBondContact O-N 2.89Å; K552-D556 WeakPolarHBondContact O-CB 3.48Å; K552-D556 PolarHBondContact O-N 3.48Å; K552-F607 HydrophobicContact CD-CD1 4.02Å
553	A	96.2	Very high	93.8	Very high	23 Å²	23	42.9 Å²	42.9	19%	0.19	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-36.6	176.2	0	0	0	0	0	112.3	F537 S549 I550 T557 W570	F537-A553 HydrophobicContact CD1-CB 4.21Å; F537-A553 HydrophobicContact CE1-CB 3.66Å; S549-A553 WeakPolarHBondContact O-CB 3.21Å; S549-A553 PolarHBondContact O-N 3.28Å; I550-A553 PolarHBondContact O-N 2.94Å; A553-T557 WeakPolarHBondContact O-CB 3.4Å; A553-T557 PolarHBondContact O-N 3.12Å; A553-T557 VanDerWaalsContact O-N 3.1Å; A553-T557 PolarHBondContact O-OG1 3.39Å; A553-W570 HydrophobicContact CB-CH2 4.02Å; A553-W570 HydrophobicContact CB-CZ2 3.83Å
554	Y	96.3	Very high	93.1	Very high	6 Å²	6	49 Å²	49	2%	0.024	27%	0.271	C	S	.	.	H	α-helix	trans	-64.2	-49.5	172.8	171.9	-105.4	0	0	0	111.8	I550 Y551 K552 D556 T557 T558 V567 W570 L581 R582 D585	I550-Y554 WeakPolarHBondContact O-CB 3.45Å; I550-Y554 PolarHBondContact O-N 3.03Å; Y551-Y554 WeakPolarHBondContact O-CB 3.48Å; Y551-Y554 PolarHBondContact O-N 3.22Å; K552-Y554 VanDerWaalsContact C-N 3.27Å; K552-Y554 PolarHBondContact O-N 2.77Å; Y554-D556 PolarHBondContact O-N 3.01Å; Y554-T557 WeakPolarHBondContact O-CB 3.47Å; Y554-T557 PolarHBondContact O-N 3.45Å; Y554-T557 VanDerWaalsContact O-N 3.16Å; Y554-T558 PolarHBondContact O-N 2.98Å; Y554-T558 PolarHBondContact O-OG1 3.34Å; Y554-T558 VanDerWaalsContact O-OG1 3.08Å; Y554-V567 HydrophobicContact CD2-CG1 4.08Å; Y554-V567 HydrophobicContact CE2-CG1 3.41Å; Y554-V567 VanDerWaalsContact CE2-CG1 3.41Å; Y554-W570 HydrophobicContact CD2-CE3 4.45Å; Y554-W570 HydrophobicContact CD2-CZ3 4.08Å; Y554-L581 HydrophobicContact CD1-CB 4.08Å; Y554-L581 HydrophobicContact CD2-CB 4.02Å; Y554-L581 HydrophobicContact CD2-CD1 3.66Å; Y554-L581 HydrophobicContact CD2-CG 4.41Å; Y554-L581 HydrophobicContact CE1-CB 3.99Å; Y554-L581 HydrophobicContact CE2-CB 3.93Å; Y554-L581 HydrophobicContact CE2-CD1 4.21Å; Y554-L581 HydrophobicContact CG-CB 4.09Å; Y554-L581 HydrophobicContact CG-CD1 3.95Å; Y554-L581 HydrophobicContact CG-CG 4.43Å; Y554-R582 VanDerWaalsContact OH-CG 3.26Å; Y554-R582 WeakPolarHBondContact OH-CG 3.44Å; Y554-D585 WeakPolarHBondContact CE1-OD2 3.49Å
555	Q	95	Very high	92.6	Very high	53 Å²	53	56.7 Å²	56.7	25%	0.248	30%	0.302	C	S	.	.	H	α-helix	trans	-58.6	-47.2	177.3	-78.5	-72	-41.8	0	0	112.2	Y551 K552 T557 T558 L559 D585	Y551-Q555 HydrophobicContact CD1-CG 4.01Å; Y551-Q555 HydrophobicContact CE1-CG 3.57Å; Y551-Q555 WeakPolarHBondContact O-CB 3.2Å; Y551-Q555 WeakPolarHBondContact O-CG 3.38Å; Y551-Q555 PolarHBondContact O-N 2.61Å; Y551-Q555 PolarHBondContact OH-NE2 2.9Å; K552-Q555 PolarHBondContact O-N 2.89Å; Q555-T557 VanDerWaalsContact C-N 3.25Å; Q555-T557 PolarHBondContact O-N 3.22Å; Q555-T558 PolarHBondContact O-N 2.83Å; Q555-T558 VanDerWaalsContact O-N 3.16Å; Q555-L559 WeakPolarHBondContact O-CG 3.43Å; Q555-L559 PolarHBondContact O-N 3.12Å; Q555-D585 PolarHBondContact NE2-OD1 2.88Å; Q555-D585 PolarHBondContact NE2-OD2 3.4Å
556	D	93.7	Very high	92.1	Very high	91 Å²	91	59.3 Å²	59.3	49%	0.487	32%	0.319	S	S	.	.	H	α-helix	trans	-59.5	-38.9	176.5	-72.7	-19.9	0	0	0	111.4	K552 Y554 N560	K552-D556 WeakPolarHBondContact O-CB 3.48Å; K552-D556 PolarHBondContact O-N 3.48Å; Y554-D556 PolarHBondContact O-N 3.01Å; D556-N560 WeakPolarHBondContact O-CB 3.34Å; D556-N560 VanDerWaalsContact O-CG 3.31Å; D556-N560 PolarHBondContact O-N 2.86Å; D556-N560 PolarHBondContact O-ND2 3.34Å
557	T	93.2	Very high	91.8	Very high	26 Å²	26	59.4 Å²	59.4	16%	0.16	32%	0.319	C	S	.	.	H	α-helix	trans	-67.4	-43.5	176.5	-58.6	0	0	0	0	111.2	A553 Y554 Q555 N560 S561 W570	A553-T557 WeakPolarHBondContact O-CB 3.4Å; A553-T557 PolarHBondContact O-N 3.12Å; A553-T557 VanDerWaalsContact O-N 3.1Å; A553-T557 PolarHBondContact O-OG1 3.39Å; Y554-T557 WeakPolarHBondContact O-CB 3.47Å; Y554-T557 PolarHBondContact O-N 3.45Å; Y554-T557 VanDerWaalsContact O-N 3.16Å; Q555-T557 VanDerWaalsContact C-N 3.25Å; Q555-T557 PolarHBondContact O-N 3.22Å; T557-N560 PolarHBondContact O-N 3.33Å; T557-S561 WeakPolarHBondContact O-CB 3.48Å; T557-S561 PolarHBondContact O-N 3.47Å; T557-S561 PolarHBondContact O-OG 3.02Å; T557-W570 HydrophobicContact CG2-CB 3.84Å; T557-W570 HydrophobicContact CG2-CD2 4.13Å; T557-W570 HydrophobicContact CG2-CG 3.77Å
558	T	91.1	Very high	91.5	Very high	54 Å²	54	62.6 Å²	62.6	33%	0.331	33%	0.334	S	S	.	.	H	α-helix	trans	-62.2	-41.7	177.4	-60.5	0	0	0	0	111.7	Y554 Q555	Y554-T558 PolarHBondContact O-N 2.98Å; Y554-T558 PolarHBondContact O-OG1 3.34Å; Y554-T558 VanDerWaalsContact O-OG1 3.08Å; Q555-T558 PolarHBondContact O-N 2.83Å; Q555-T558 VanDerWaalsContact O-N 3.16Å
559	L	91.2	Very high	91.2	Very high	133 Å²	133	67.8 Å²	67.8	70%	0.696	36%	0.357	S	S	*	.	H	α-helix	trans	-70.1	-36.6	178.9	-71.1	169.4	0	0	0	113.4	Q555	Q555-L559 WeakPolarHBondContact O-CG 3.43Å; Q555-L559 PolarHBondContact O-N 3.12Å
560	N	89.9	Confident	91.1	Very high	137 Å²	137	68.3 Å²	68.3	73%	0.733	36%	0.355	S	S	*	.	H	α-helix	trans	-87.3	-14.3	-177.9	-69.8	-51	0	0	0	113.7	D556 T557	D556-N560 WeakPolarHBondContact O-CB 3.34Å; D556-N560 VanDerWaalsContact O-CG 3.31Å; D556-N560 PolarHBondContact O-N 2.86Å; D556-N560 PolarHBondContact O-ND2 3.34Å; T557-N560 PolarHBondContact O-N 3.33Å
561	S	86.1	Confident	91	Very high	35 Å²	35	68.3 Å²	68.3	25%	0.245	36%	0.355	C	S	.	.			trans	-87	138.4	-178.3	-66	0	0	0	0	111.7	T557	T557-S561 WeakPolarHBondContact O-CB 3.48Å; T557-S561 PolarHBondContact O-N 3.47Å; T557-S561 PolarHBondContact O-OG 3.02Å
562	T	77.4	Confident	90.7	Very high	147 Å²	147	74.6 Å²	74.6	90%	0.902	38%	0.384	S	S	*	.	S	Bend	trans	-85.4	-10.3	176	54.1	0	0	0	0	113.5
563	S	85.3	Confident	90.5	Very high	52 Å²	52	75.5 Å²	75.5	36%	0.364	39%	0.392	S	S	.	.	S	Bend	trans	-145.3	148.7	-178.7	69.4	0	0	0	0	112.8	Y565 C566	S563-Y565 PolarHBondContact O-N 3.29Å; S563-C566 WeakPolarHBondContact O-CB 3.33Å; S563-C566 PolarHBondContact O-N 3.1Å; S563-C566 VanDerWaalsContact O-N 3.13Å; S563-C566 PolarHBondContact OG-SG 3.23Å; S563-C566 VanDerWaalsContact OG-SG 3.41Å
564	E	83.9	Confident	90.4	Very high	148 Å²	148	78.2 Å²	78.2	69%	0.692	40%	0.398	S	S	*	.	H	α-helix	trans	-59.7	-32.1	176.3	-68.2	-176.9	167.2	0	0	112.6	C566 V567 E568	E564-C566 VanDerWaalsContact C-N 3.27Å; E564-C566 PolarHBondContact O-N 3.31Å; E564-V567 WeakPolarHBondContact O-CB 3.48Å; E564-V567 PolarHBondContact O-N 3.43Å; E564-V567 VanDerWaalsContact O-N 3.12Å; E564-E568 PolarHBondContact O-N 2.81Å
565	Y	86.4	Confident	90.2	Very high	162 Å²	162	79.9 Å²	79.9	64%	0.635	41%	0.406	S	S	*	.	H	α-helix	trans	-59	-37.2	176.4	177.9	-98.8	0	0	0	112.6	S563 V567 E568 K569	S563-Y565 PolarHBondContact O-N 3.29Å; Y565-V567 VanDerWaalsContact C-N 3.32Å; Y565-V567 PolarHBondContact O-N 3.46Å; Y565-E568 PolarHBondContact O-N 3.29Å; Y565-K569 VanDerWaalsContact O-CB 3.3Å; Y565-K569 WeakPolarHBondContact O-CB 3.46Å; Y565-K569 PolarHBondContact O-N 3.42Å
566	C	88.1	Confident	90.2	Very high	54 Å²	54	77.6 Å²	77.6	37%	0.365	40%	0.395	S	S	.	.	H	α-helix	trans	-64.5	-38.3	177.1	-71.8	0	0	0	0	111.9	S563 E564 W570	S563-C566 WeakPolarHBondContact O-CB 3.33Å; S563-C566 PolarHBondContact O-N 3.1Å; S563-C566 VanDerWaalsContact O-N 3.13Å; S563-C566 PolarHBondContact OG-SG 3.23Å; S563-C566 VanDerWaalsContact OG-SG 3.41Å; E564-C566 VanDerWaalsContact C-N 3.27Å; E564-C566 PolarHBondContact O-N 3.31Å; C566-W570 WeakPolarHBondContact O-CB 3.24Å; C566-W570 PolarHBondContact O-N 3.28Å
567	V	90.4	Very high	90.1	Very high	9 Å²	9	75.1 Å²	75.1	6%	0.055	38%	0.382	C	S	.	.	H	α-helix	trans	-69.2	-44	178.1	-177.8	0	0	0	0	110.9	Y554 E564 Y565 K569 W570 C571	Y554-V567 HydrophobicContact CD2-CG1 4.08Å; Y554-V567 HydrophobicContact CE2-CG1 3.41Å; Y554-V567 VanDerWaalsContact CE2-CG1 3.41Å; E564-V567 WeakPolarHBondContact O-CB 3.48Å; E564-V567 PolarHBondContact O-N 3.43Å; E564-V567 VanDerWaalsContact O-N 3.12Å; Y565-V567 VanDerWaalsContact C-N 3.32Å; Y565-V567 PolarHBondContact O-N 3.46Å; V567-K569 VanDerWaalsContact C-N 3.33Å; V567-K569 PolarHBondContact O-N 3.05Å; V567-W570 PolarHBondContact O-N 3.01Å; V567-C571 PolarHBondContact O-N 3.22Å; V567-C571 PolarHBondContact O-SG 3.26Å
568	E	91.1	Very high	90	Very high	83 Å²	83	74.7 Å²	74.7	39%	0.388	38%	0.38	S	S	.	.	H	α-helix	trans	-62.2	-42.3	176	-72	-177.4	174.9	0	0	111.7	E564 Y565 C571 H572 R582	E564-E568 PolarHBondContact O-N 2.81Å; Y565-E568 PolarHBondContact O-N 3.29Å; E568-C571 PolarHBondContact O-N 3.15Å; E568-H572 PolarHBondContact O-N 3.3Å; E568-R582 VanDerWaalsContact CG-NH2 3.31Å; E568-R582 IonicContact OE1-CZ 3.65Å; E568-R582 IonicContact OE1-NH1 3.59Å; E568-R582 PolarHBondContact OE1-NH1 2.8Å; E568-R582 IonicContact OE1-NH2 3.72Å; E568-R582 PolarHBondContact OE1-NH2 3.07Å
569	K	92	Very high	89.9	Confident	108 Å²	108	75.6 Å²	75.6	47%	0.47	39%	0.388	S	S	.	.	H	α-helix	trans	-61.5	-45.7	174.5	-176	179.8	178.7	-178.5	0	111.9	Y565 V567 C571 H572 D573	Y565-K569 VanDerWaalsContact O-CB 3.3Å; Y565-K569 WeakPolarHBondContact O-CB 3.46Å; Y565-K569 PolarHBondContact O-N 3.42Å; V567-K569 VanDerWaalsContact C-N 3.33Å; V567-K569 PolarHBondContact O-N 3.05Å; K569-C571 VanDerWaalsContact C-N 3.33Å; K569-C571 PolarHBondContact O-N 3.41Å; K569-H572 WeakPolarHBondContact O-CB 3.33Å; K569-H572 PolarHBondContact O-N 3.12Å; K569-H572 VanDerWaalsContact O-N 3.17Å; K569-D573 VanDerWaalsContact O-CG 3.27Å; K569-D573 PolarHBondContact O-N 3.35Å
570	W	94.9	Very high	89.9	Confident	37 Å²	37	69.4 Å²	69.4	14%	0.14	36%	0.356	C	S	.	.	H	α-helix	trans	-59.5	-44.5	176.5	177.9	89.4	0	0	0	111.6	F537 A553 Y554 T557 C566 V567 H572 D573 Y574 L576 L581	F537-W570 HydrophobicContact CE1-CH2 4.44Å; F537-W570 HydrophobicContact CE1-CZ2 4.08Å; F537-W570 HydrophobicContact CZ-CH2 4.14Å; F537-W570 AromaticContact CZ-CZ2 3.8Å; F537-W570 HydrophobicContact CZ-CZ2 3.8Å; A553-W570 HydrophobicContact CB-CH2 4.02Å; A553-W570 HydrophobicContact CB-CZ2 3.83Å; Y554-W570 HydrophobicContact CD2-CE3 4.45Å; Y554-W570 HydrophobicContact CD2-CZ3 4.08Å; T557-W570 HydrophobicContact CG2-CB 3.84Å; T557-W570 HydrophobicContact CG2-CD2 4.13Å; T557-W570 HydrophobicContact CG2-CG 3.77Å; C566-W570 WeakPolarHBondContact O-CB 3.24Å; C566-W570 PolarHBondContact O-N 3.28Å; V567-W570 PolarHBondContact O-N 3.01Å; W570-H572 VanDerWaalsContact C-N 3.3Å; W570-H572 PolarHBondContact O-N 3.18Å; W570-D573 PolarHBondContact O-N 3.43Å; W570-Y574 AromaticContact CD1-CD2 3.84Å; W570-Y574 AromaticContact CD1-CE2 3.63Å; W570-Y574 HydrophobicContact CD2-CD2 4.26Å; W570-Y574 AromaticContact CE2-CD2 3.88Å; W570-Y574 HydrophobicContact CG-CD2 4.23Å; W570-Y574 HydrophobicContact CG-CE2 4.44Å; W570-Y574 HydrophobicContact CZ2-CD2 4.45Å; W570-Y574 AromaticContact NE1-CD2 3.61Å; W570-Y574 AromaticContact NE1-CE2 3.34Å; W570-Y574 VanDerWaalsContact NE1-CE2 3.34Å; W570-Y574 WeakPolarHBondContact O-CD2 3.29Å; W570-Y574 PolarHBondContact O-N 3.17Å; W570-Y574 VanDerWaalsContact O-N 3.14Å; W570-L576 HydrophobicContact CH2-CD1 3.63Å; W570-L576 HydrophobicContact CZ3-CD1 3.63Å; W570-L581 HydrophobicContact CZ3-CD1 4.43Å
571	C	94.1	Very high	90.2	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.007	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-44.2	175.7	-64.3	0	0	0	0	111.1	V567 E568 K569 Y574 F575 L576 C578	V567-C571 PolarHBondContact O-N 3.22Å; V567-C571 PolarHBondContact O-SG 3.26Å; E568-C571 PolarHBondContact O-N 3.15Å; K569-C571 VanDerWaalsContact C-N 3.33Å; K569-C571 PolarHBondContact O-N 3.41Å; C571-Y574 PolarHBondContact O-N 2.99Å; C571-F575 PolarHBondContact O-N 3.4Å; C571-F575 VanDerWaalsContact O-N 3.15Å; C571-L576 CarbonylContact C-O 3.49Å; C571-L576 HydrophobicContact CB-CB 4.31Å; C571-L576 PolarHBondContact O-N 3.09Å; C571-C578 HydrophobicContact CB-CB 3.74Å; C571-C578 VanDerWaalsContact SG-SG 3.68Å
572	H	91.5	Very high	90.6	Very high	144 Å²	144	65.4 Å²	65.4	67%	0.667	33%	0.325	S	S	*	.	H	α-helix	trans	-61.2	-48.3	177.2	-175.1	77.8	0	0	0	112.5	E568 K569 W570 Y574 F575	E568-H572 PolarHBondContact O-N 3.3Å; K569-H572 WeakPolarHBondContact O-CB 3.33Å; K569-H572 PolarHBondContact O-N 3.12Å; K569-H572 VanDerWaalsContact O-N 3.17Å; W570-H572 VanDerWaalsContact C-N 3.3Å; W570-H572 PolarHBondContact O-N 3.18Å; H572-Y574 PolarHBondContact O-N 3.32Å; H572-F575 PolarHBondContact O-N 3.36Å; H572-F575 VanDerWaalsContact O-N 3.07Å
573	D	92.4	Very high	91.3	Very high	83 Å²	83	60.8 Å²	60.8	44%	0.444	29%	0.294	S	S	.	.	H	α-helix	trans	-61.3	-28.8	-178.5	-69.5	-15	0	0	0	112.2	K569 W570	K569-D573 VanDerWaalsContact O-CG 3.27Å; K569-D573 PolarHBondContact O-N 3.35Å; W570-D573 PolarHBondContact O-N 3.43Å
574	Y	93.8	Very high	91.8	Very high	80 Å²	80	58.3 Å²	58.3	31%	0.314	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	9.3	177.7	-75.8	-94.4	0	0	0	114.5	C533 W534 F537 W570 C571 H572 L576	C533-Y574 HydrophobicContact CB-CD1 4.07Å; W534-Y574 PolarHBondContact NE1-O 2.84Å; W534-Y574 VanDerWaalsContact NE1-O 3.13Å; F537-Y574 AromaticContact CE2-CD1 3.49Å; F537-Y574 HydrophobicContact CE2-CD1 3.49Å; F537-Y574 VanDerWaalsContact CE2-CD1 3.49Å; F537-Y574 HydrophobicContact CE2-CE1 4.19Å; F537-Y574 HydrophobicContact CE2-CG 4.16Å; F537-Y574 AromaticContact CZ-CD1 3.42Å; F537-Y574 HydrophobicContact CZ-CD1 3.42Å; F537-Y574 VanDerWaalsContact CZ-CD1 3.42Å; F537-Y574 AromaticContact CZ-CE1 3.8Å; F537-Y574 HydrophobicContact CZ-CE1 3.8Å; F537-Y574 HydrophobicContact CZ-CG 4Å; W570-Y574 AromaticContact CD1-CD2 3.84Å; W570-Y574 AromaticContact CD1-CE2 3.63Å; W570-Y574 HydrophobicContact CD2-CD2 4.26Å; W570-Y574 AromaticContact CE2-CD2 3.88Å; W570-Y574 HydrophobicContact CG-CD2 4.23Å; W570-Y574 HydrophobicContact CG-CE2 4.44Å; W570-Y574 HydrophobicContact CZ2-CD2 4.45Å; W570-Y574 AromaticContact NE1-CD2 3.61Å; W570-Y574 AromaticContact NE1-CE2 3.34Å; W570-Y574 VanDerWaalsContact NE1-CE2 3.34Å; W570-Y574 WeakPolarHBondContact O-CD2 3.29Å; W570-Y574 PolarHBondContact O-N 3.17Å; W570-Y574 VanDerWaalsContact O-N 3.14Å; C571-Y574 PolarHBondContact O-N 2.99Å; H572-Y574 PolarHBondContact O-N 3.32Å; Y574-L576 VanDerWaalsContact C-N 3.26Å; Y574-L576 PolarHBondContact O-N 3.34Å
575	F	93.6	Very high	92.4	Very high	41 Å²	41	53 Å²	53	18%	0.18	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	39.3	-177.5	-57.3	-97.2	0	0	0	113	S520 V522 A526 A529 A530 C533 W534 C571 H572	S520-F575 WeakPolarHBondContact CB-O 3.43Å; S520-F575 PolarHBondContact N-O 2.63Å; V522-F575 HydrophobicContact CG1-CD1 4.49Å; A526-F575 HydrophobicContact CB-CE1 4.04Å; A526-F575 HydrophobicContact CB-CZ 4.22Å; A529-F575 HydrophobicContact CB-CE2 4.46Å; A529-F575 HydrophobicContact CB-CZ 4.43Å; A530-F575 HydrophobicContact CB-CB 4.16Å; A530-F575 HydrophobicContact CB-CD1 4.02Å; A530-F575 HydrophobicContact CB-CD2 3.8Å; A530-F575 HydrophobicContact CB-CE1 4.35Å; A530-F575 HydrophobicContact CB-CE2 4.15Å; A530-F575 HydrophobicContact CB-CG 3.72Å; A530-F575 HydrophobicContact CB-CZ 4.41Å; C533-F575 HydrophobicContact CB-CD2 4.49Å; W534-F575 HydrophobicContact CZ2-CB 4.1Å; C571-F575 PolarHBondContact O-N 3.4Å; C571-F575 VanDerWaalsContact O-N 3.15Å; H572-F575 PolarHBondContact O-N 3.36Å; H572-F575 VanDerWaalsContact O-N 3.07Å
576	L	94.1	Very high	92.8	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-106.3	149.8	176.9	-62	175	0	0	0	111.2	C518 F519 S520 F537 I550 W570 C571 Y574 C578 L581	C518-L576 CarbonylContact O-C 3.57Å; C518-L576 VanDerWaalsContact O-CA 3.27Å; C518-L576 WeakPolarHBondContact O-CA 3.35Å; F519-L576 HydrophobicContact CD1-CD2 4.12Å; F519-L576 HydrophobicContact CE1-CD2 4.35Å; S520-L576 PolarHBondContact OG-O 2.87Å; F537-L576 HydrophobicContact CE2-CD1 4.21Å; F537-L576 HydrophobicContact CZ-CD1 4.39Å; I550-L576 HydrophobicContact CG2-CD1 4Å; I550-L576 HydrophobicContact CG2-CD2 4.23Å; W570-L576 HydrophobicContact CH2-CD1 3.63Å; W570-L576 HydrophobicContact CZ3-CD1 3.63Å; C571-L576 CarbonylContact C-O 3.49Å; C571-L576 HydrophobicContact CB-CB 4.31Å; C571-L576 PolarHBondContact O-N 3.09Å; Y574-L576 VanDerWaalsContact C-N 3.26Å; Y574-L576 PolarHBondContact O-N 3.34Å; L576-C578 PolarHBondContact O-N 2.95Å; L576-L581 HydrophobicContact CB-CD1 4.16Å; L576-L581 HydrophobicContact CD1-CD1 4.33Å
577	N	90.9	Very high	93.2	Very high	39 Å²	39	46 Å²	46	21%	0.209	23%	0.225	C	C	.	.			trans	-90.3	103.3	179.2	-175	-27.6	0	0	0	109.4	C518 S520 S579 A580 L581	C518-N577 PolarHBondContact O-N 3.32Å; S520-N577 WeakPolarHBondContact OG-CA 3.15Å; S520-N577 PolarHBondContact OG-N 2.87Å; S520-N577 VanDerWaalsContact OG-N 3.13Å; N577-S579 VanDerWaalsContact C-N 3.27Å; N577-S579 PolarHBondContact O-N 3.36Å; N577-S579 PolarHBondContact OD1-N 2.73Å; N577-S579 PolarHBondContact OD1-OG 2.97Å; N577-A580 HydrophobicContact CB-CB 3.84Å; N577-A580 WeakPolarHBondContact O-CB 3.29Å; N577-A580 PolarHBondContact O-N 2.98Å; N577-A580 PolarHBondContact OD1-N 3.31Å; N577-A580 VanDerWaalsContact OD1-N 3.12Å; N577-L581 PolarHBondContact O-N 2.98Å; N577-L581 VanDerWaalsContact O-N 3.1Å
578	C	92.1	Very high	93.5	Very high	18 Å²	18	47.3 Å²	47.3	12%	0.122	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-37.5	-178.8	-166.6	0	0	0	0	112.5	C571 L576 A580 L581 R582	C571-C578 HydrophobicContact CB-CB 3.74Å; C571-C578 VanDerWaalsContact SG-SG 3.68Å; L576-C578 PolarHBondContact O-N 2.95Å; C578-A580 VanDerWaalsContact C-N 3.35Å; C578-A580 PolarHBondContact O-N 3.26Å; C578-L581 PolarHBondContact O-N 3.4Å; C578-R582 WeakPolarHBondContact O-CG 3.41Å; C578-R582 PolarHBondContact O-N 2.9Å
579	S	89.3	Confident	93.7	Very high	73 Å²	73	46 Å²	46	51%	0.51	23%	0.233	S	C	.	.	H	α-helix	trans	-67.6	-35.8	178.9	73.6	0	0	0	0	112.5	N577 M583	N577-S579 VanDerWaalsContact C-N 3.27Å; N577-S579 PolarHBondContact O-N 3.36Å; N577-S579 PolarHBondContact OD1-N 2.73Å; N577-S579 PolarHBondContact OD1-OG 2.97Å; S579-M583 WeakPolarHBondContact O-CB 3.21Å; S579-M583 PolarHBondContact O-N 2.67Å
580	A	91.6	Very high	93.9	Very high	2 Å²	2	43.3 Å²	43.3	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-66.9	-42.5	174.8	0	0	0	0	0	111.7	P516 N577 C578 M583 A584	P516-A580 HydrophobicContact CB-CB 4.13Å; P516-A580 WeakPolarHBondContact O-CB 3.35Å; N577-A580 HydrophobicContact CB-CB 3.84Å; N577-A580 WeakPolarHBondContact O-CB 3.29Å; N577-A580 PolarHBondContact O-N 2.98Å; N577-A580 PolarHBondContact OD1-N 3.31Å; N577-A580 VanDerWaalsContact OD1-N 3.12Å; C578-A580 VanDerWaalsContact C-N 3.35Å; C578-A580 PolarHBondContact O-N 3.26Å; A580-M583 WeakPolarHBondContact O-CB 3.34Å; A580-M583 PolarHBondContact O-N 3Å; A580-A584 PolarHBondContact O-N 3.44Å
581	L	95.7	Very high	93.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.3	-41.7	177.3	-68	170.3	0	0	0	112.2	M512 C518 I550 Y554 W570 L576 N577 C578 M583 A584 D585	M512-L581 HydrophobicContact CE-CD2 3.74Å; M512-L581 HydrophobicContact SD-CD2 3.92Å; C518-L581 HydrophobicContact CB-CD2 4.04Å; C518-L581 HydrophobicContact CB-CG 4.46Å; I550-L581 HydrophobicContact CG2-CD2 4.07Å; Y554-L581 HydrophobicContact CD1-CB 4.08Å; Y554-L581 HydrophobicContact CD2-CB 4.02Å; Y554-L581 HydrophobicContact CD2-CD1 3.66Å; Y554-L581 HydrophobicContact CD2-CG 4.41Å; Y554-L581 HydrophobicContact CE1-CB 3.99Å; Y554-L581 HydrophobicContact CE2-CB 3.93Å; Y554-L581 HydrophobicContact CE2-CD1 4.21Å; Y554-L581 HydrophobicContact CG-CB 4.09Å; Y554-L581 HydrophobicContact CG-CD1 3.95Å; Y554-L581 HydrophobicContact CG-CG 4.43Å; W570-L581 HydrophobicContact CZ3-CD1 4.43Å; L576-L581 HydrophobicContact CB-CD1 4.16Å; L576-L581 HydrophobicContact CD1-CD1 4.33Å; N577-L581 PolarHBondContact O-N 2.98Å; N577-L581 VanDerWaalsContact O-N 3.1Å; C578-L581 PolarHBondContact O-N 3.4Å; L581-M583 VanDerWaalsContact C-N 3.3Å; L581-M583 PolarHBondContact O-N 2.61Å; L581-A584 WeakPolarHBondContact O-CB 3.38Å; L581-A584 PolarHBondContact O-N 3.4Å; L581-A584 VanDerWaalsContact O-N 3.16Å; L581-D585 PolarHBondContact O-N 3.28Å
582	R	93.1	Very high	94	Very high	88 Å²	88	42.7 Å²	42.7	33%	0.332	22%	0.221	S	C	.	.	H	α-helix	trans	-59.4	-41.4	171.3	-73.2	177.5	-178.5	153.5	3.4	111.7	Y554 E568 C578 A584 D585 V586	Y554-R582 VanDerWaalsContact OH-CG 3.26Å; Y554-R582 WeakPolarHBondContact OH-CG 3.44Å; E568-R582 VanDerWaalsContact CG-NH2 3.31Å; E568-R582 IonicContact OE1-CZ 3.65Å; E568-R582 IonicContact OE1-NH1 3.59Å; E568-R582 PolarHBondContact OE1-NH1 2.8Å; E568-R582 IonicContact OE1-NH2 3.72Å; E568-R582 PolarHBondContact OE1-NH2 3.07Å; C578-R582 WeakPolarHBondContact O-CG 3.41Å; C578-R582 PolarHBondContact O-N 2.9Å; R582-A584 VanDerWaalsContact C-N 3.33Å; R582-D585 WeakPolarHBondContact O-CB 3.44Å; R582-D585 PolarHBondContact O-N 3.41Å; R582-V586 WeakPolarHBondContact O-CG2 3.43Å; R582-V586 PolarHBondContact O-N 3.37Å
583	M	92.3	Very high	94.2	Very high	50 Å²	50	42 Å²	42	25%	0.246	22%	0.218	C	C	.	.	H	α-helix	trans	-64.4	-39.2	175.6	-178.4	58.1	66.3	0	0	111.5	F148 A515 S579 A580 L581 D585 V586 I587	F148-M583 HydrophobicContact CB-SD 4.06Å; A515-M583 HydrophobicContact CB-CG 4.39Å; S579-M583 WeakPolarHBondContact O-CB 3.21Å; S579-M583 PolarHBondContact O-N 2.67Å; A580-M583 WeakPolarHBondContact O-CB 3.34Å; A580-M583 PolarHBondContact O-N 3Å; L581-M583 VanDerWaalsContact C-N 3.3Å; L581-M583 PolarHBondContact O-N 2.61Å; M583-D585 VanDerWaalsContact C-N 3.33Å; M583-D585 PolarHBondContact O-N 2.89Å; M583-V586 PolarHBondContact O-N 2.87Å; M583-I587 HydrophobicContact CG-CD1 3.84Å; M583-I587 HydrophobicContact CG-CG1 4.38Å; M583-I587 VanDerWaalsContact O-CG1 3.28Å; M583-I587 WeakPolarHBondContact O-CG1 3.5Å; M583-I587 PolarHBondContact O-N 3.16Å; M583-I587 HydrophobicContact SD-CD1 4.31Å; M583-I587 HydrophobicContact SD-CG1 4.3Å
584	A	96.4	Very high	94.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-39.8	173.8	0	0	0	0	0	112	A511 M512 A515 Y551 A580 L581 R582 V586 I587 R588	A511-A584 HydrophobicContact CB-CB 4.31Å; A511-A584 WeakPolarHBondContact CB-O 3.14Å; M512-A584 HydrophobicContact SD-CB 3.72Å; A515-A584 HydrophobicContact CB-CB 3.94Å; Y551-A584 HydrophobicContact CE2-CB 4.43Å; A580-A584 PolarHBondContact O-N 3.44Å; L581-A584 WeakPolarHBondContact O-CB 3.38Å; L581-A584 PolarHBondContact O-N 3.4Å; L581-A584 VanDerWaalsContact O-N 3.16Å; R582-A584 VanDerWaalsContact C-N 3.33Å; A584-V586 VanDerWaalsContact C-N 3.34Å; A584-V586 PolarHBondContact O-N 3.23Å; A584-I587 PolarHBondContact O-N 3.13Å; A584-R588 VanDerWaalsContact O-CB 3.27Å; A584-R588 WeakPolarHBondContact O-CB 3.3Å; A584-R588 PolarHBondContact O-N 3.1Å
585	D	95.9	Very high	94.4	Very high	38 Å²	38	34.7 Å²	34.7	20%	0.203	18%	0.184	C	C	.	.	H	α-helix	trans	-57.5	-46.2	173.3	-82.9	-2.4	0	0	0	112.4	Y551 Y554 Q555 L581 R582 M583 R588 A589	Y551-D585 WeakPolarHBondContact CE2-OD1 3.47Å; Y551-D585 PolarHBondContact OH-OD1 3.13Å; Y554-D585 WeakPolarHBondContact CE1-OD2 3.49Å; Q555-D585 PolarHBondContact NE2-OD1 2.88Å; Q555-D585 PolarHBondContact NE2-OD2 3.4Å; L581-D585 PolarHBondContact O-N 3.28Å; R582-D585 WeakPolarHBondContact O-CB 3.44Å; R582-D585 PolarHBondContact O-N 3.41Å; M583-D585 VanDerWaalsContact C-N 3.33Å; M583-D585 PolarHBondContact O-N 2.89Å; D585-R588 PolarHBondContact O-N 3.48Å; D585-A589 WeakPolarHBondContact O-CB 3.37Å; D585-A589 PolarHBondContact O-N 3.12Å
586	V	95.1	Very high	94.4	Very high	67 Å²	67	39.3 Å²	39.3	41%	0.406	20%	0.204	S	C	.	.	H	α-helix	trans	-65.1	-47.1	-179.9	-178.9	0	0	0	0	111	F148 R582 M583 A584 R588 A589 E590	F148-V586 HydrophobicContact CB-CG1 4.13Å; F148-V586 WeakPolarHBondContact O-CG1 3.44Å; R582-V586 WeakPolarHBondContact O-CG2 3.43Å; R582-V586 PolarHBondContact O-N 3.37Å; M583-V586 PolarHBondContact O-N 2.87Å; A584-V586 VanDerWaalsContact C-N 3.34Å; A584-V586 PolarHBondContact O-N 3.23Å; V586-R588 VanDerWaalsContact C-N 3.34Å; V586-R588 PolarHBondContact O-N 3.33Å; V586-A589 PolarHBondContact O-N 3.48Å; V586-E590 PolarHBondContact O-N 3.03Å
587	I	95.9	Very high	94.5	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-57.9	-48.2	176.1	-65.9	162.6	0	0	0	110.2	F148 A511 T514 A515 M583 A584 A589 E590 L591	F148-I587 HydrophobicContact CB-CG1 4.16Å; F148-I587 HydrophobicContact CD1-CB 4.12Å; F148-I587 HydrophobicContact CD1-CG1 3.59Å; F148-I587 HydrophobicContact CD1-CG2 4.27Å; F148-I587 HydrophobicContact CD2-CD1 4.13Å; F148-I587 HydrophobicContact CD2-CG1 3.61Å; F148-I587 HydrophobicContact CE1-CB 4.19Å; F148-I587 HydrophobicContact CE1-CG1 3.82Å; F148-I587 HydrophobicContact CE1-CG2 3.84Å; F148-I587 HydrophobicContact CE2-CD1 4.13Å; F148-I587 HydrophobicContact CE2-CG1 3.82Å; F148-I587 HydrophobicContact CG-CB 4.48Å; F148-I587 HydrophobicContact CG-CD1 4.48Å; F148-I587 HydrophobicContact CG-CG1 3.5Å; F148-I587 VanDerWaalsContact CG-CG1 3.5Å; F148-I587 HydrophobicContact CZ-CD1 4.49Å; F148-I587 HydrophobicContact CZ-CG1 3.94Å; F148-I587 HydrophobicContact CZ-CG2 4.12Å; A511-I587 HydrophobicContact CB-CB 4.16Å; A511-I587 HydrophobicContact CB-CG2 4.02Å; T514-I587 HydrophobicContact CG2-CD1 4.04Å; A515-I587 HydrophobicContact CB-CD1 3.97Å; M583-I587 HydrophobicContact CG-CD1 3.84Å; M583-I587 HydrophobicContact CG-CG1 4.38Å; M583-I587 VanDerWaalsContact O-CG1 3.28Å; M583-I587 WeakPolarHBondContact O-CG1 3.5Å; M583-I587 PolarHBondContact O-N 3.16Å; M583-I587 HydrophobicContact SD-CD1 4.31Å; M583-I587 HydrophobicContact SD-CG1 4.3Å; A584-I587 PolarHBondContact O-N 3.13Å; I587-A589 VanDerWaalsContact C-N 3.31Å; I587-A589 PolarHBondContact O-N 3.33Å; I587-E590 PolarHBondContact O-N 2.93Å; I587-L591 HydrophobicContact CG2-CD1 3.84Å; I587-L591 HydrophobicContact CG2-CG 4.19Å; I587-L591 VanDerWaalsContact O-CG 3.28Å; I587-L591 WeakPolarHBondContact O-CG 3.42Å; I587-L591 PolarHBondContact O-N 3.11Å
588	R	97.3	Very high	94.6	Very high	37 Å²	37	46.5 Å²	46.5	14%	0.14	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-41	-178.9	-168.4	-176.4	172.7	-76.8	3.1	111.7	D504 L507 T508 A511 Y551 A584 D585 V586 L592	D504-R588 IonicContact OD1-CZ 3.23Å; D504-R588 IonicContact OD1-NH2 3.3Å; D504-R588 PolarHBondContact OD1-NH2 2.89Å; D504-R588 IonicContact OD2-NH2 2.75Å; D504-R588 PolarHBondContact OD2-NH2 2.9Å; L507-R588 HydrophobicContact CB-CG 4.32Å; T508-R588 PolarHBondContact OG1-NE 3.16Å; A511-R588 HydrophobicContact CB-CB 3.67Å; A511-R588 HydrophobicContact CB-CG 4.38Å; Y551-R588 VanDerWaalsContact OH-CD 3.27Å; Y551-R588 WeakPolarHBondContact OH-CD 3.13Å; A584-R588 VanDerWaalsContact O-CB 3.27Å; A584-R588 WeakPolarHBondContact O-CB 3.3Å; A584-R588 PolarHBondContact O-N 3.1Å; D585-R588 PolarHBondContact O-N 3.48Å; V586-R588 VanDerWaalsContact C-N 3.34Å; V586-R588 PolarHBondContact O-N 3.33Å; R588-L592 WeakPolarHBondContact O-CB 3.38Å; R588-L592 PolarHBondContact O-N 3.31Å
589	A	96.1	Very high	94.8	Very high	56 Å²	56	54 Å²	54	46%	0.463	27%	0.265	S	S	.	.	H	α-helix	trans	-63.9	-44.6	177.5	0	0	0	0	0	112	D585 V586 I587 L592 E593	D585-A589 WeakPolarHBondContact O-CB 3.37Å; D585-A589 PolarHBondContact O-N 3.12Å; V586-A589 PolarHBondContact O-N 3.48Å; I587-A589 VanDerWaalsContact C-N 3.31Å; I587-A589 PolarHBondContact O-N 3.33Å; A589-L592 PolarHBondContact O-N 3.32Å; A589-E593 PolarHBondContact O-N 3.49Å
590	E	94.8	Very high	95	Very high	51 Å²	51	52.1 Å²	52.1	24%	0.238	25%	0.249	C	C	.	.	H	α-helix	trans	-63.8	-44.5	176.9	-174	176.4	150.9	0	0	111.6	F148 V586 I587 L592 E593 I594	F148-E590 WeakPolarHBondContact CA-OE2 3.28Å; F148-E590 HydrophobicContact CD1-CB 4.49Å; F148-E590 WeakPolarHBondContact CD1-OE2 3.21Å; V586-E590 PolarHBondContact O-N 3.03Å; I587-E590 PolarHBondContact O-N 2.93Å; E590-L592 VanDerWaalsContact C-N 3.3Å; E590-L592 PolarHBondContact O-N 3.46Å; E590-E593 WeakPolarHBondContact O-CB 3.42Å; E590-E593 PolarHBondContact O-N 3.04Å; E590-E593 VanDerWaalsContact O-N 3.13Å; E590-I594 HydrophobicContact CG-CD1 4.4Å; E590-I594 WeakPolarHBondContact O-CG1 3.45Å; E590-I594 PolarHBondContact O-N 3.33Å
591	L	96.1	Very high	95.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-38.6	176.6	-64.9	175.7	0	0	0	112.1	F484 P485 L486 I494 L507 A510 I587 E593 I594 I595	F484-L591 HydrophobicContact CD1-CD2 3.93Å; P485-L591 HydrophobicContact CG-CD2 4.01Å; L486-L591 HydrophobicContact CD1-CD1 3.96Å; L486-L591 HydrophobicContact CD1-CD2 3.63Å; L486-L591 HydrophobicContact CD1-CG 4.47Å; L486-L591 HydrophobicContact CD2-CD2 4.43Å; L486-L591 HydrophobicContact CG-CD2 4.01Å; I494-L591 HydrophobicContact CD1-CD1 4.35Å; L507-L591 HydrophobicContact CD2-CB 3.58Å; L507-L591 HydrophobicContact CD2-CD1 4.24Å; A510-L591 HydrophobicContact CB-CD1 3.92Å; I587-L591 HydrophobicContact CG2-CD1 3.84Å; I587-L591 HydrophobicContact CG2-CG 4.19Å; I587-L591 VanDerWaalsContact O-CG 3.28Å; I587-L591 WeakPolarHBondContact O-CG 3.42Å; I587-L591 PolarHBondContact O-N 3.11Å; L591-E593 VanDerWaalsContact C-N 3.35Å; L591-I594 PolarHBondContact O-N 2.88Å; L591-I595 WeakPolarHBondContact O-CG1 3.41Å; L591-I595 PolarHBondContact O-N 3.46Å
592	L	96.1	Very high	95	Very high	24 Å²	24	60.4 Å²	60.4	13%	0.126	29%	0.291	C	S	.	.	H	α-helix	trans	-65.9	-38	174.4	-179.6	61.2	0	0	0	111.9	L507 R588 A589 E590 I595 K596 Y602	L507-L592 HydrophobicContact CD1-CB 4.09Å; L507-L592 HydrophobicContact CD1-CD1 4.01Å; R588-L592 WeakPolarHBondContact O-CB 3.38Å; R588-L592 PolarHBondContact O-N 3.31Å; A589-L592 PolarHBondContact O-N 3.32Å; E590-L592 VanDerWaalsContact C-N 3.3Å; E590-L592 PolarHBondContact O-N 3.46Å; L592-I595 PolarHBondContact O-N 3.32Å; L592-K596 HydrophobicContact CG-CD 4.34Å; L592-K596 WeakPolarHBondContact O-CG 3.38Å; L592-K596 PolarHBondContact O-N 2.96Å; L592-Y602 HydrophobicContact CD1-CD2 3.8Å; L592-Y602 HydrophobicContact CD1-CE2 3.57Å
593	E	95.3	Very high	94.8	Very high	131 Å²	131	57 Å²	57	61%	0.612	28%	0.282	S	S	*	.	H	α-helix	trans	-62.8	-43	174.6	-171.7	-178.8	170.2	0	0	111.3	A589 E590 L591 I595 K596 R597	A589-E593 PolarHBondContact O-N 3.49Å; E590-E593 WeakPolarHBondContact O-CB 3.42Å; E590-E593 PolarHBondContact O-N 3.04Å; E590-E593 VanDerWaalsContact O-N 3.13Å; L591-E593 VanDerWaalsContact C-N 3.35Å; E593-I595 PolarHBondContact O-N 3.26Å; E593-K596 PolarHBondContact O-N 3.42Å; E593-R597 VanDerWaalsContact O-CB 3.29Å; E593-R597 WeakPolarHBondContact O-CB 3.4Å; E593-R597 PolarHBondContact O-N 2.94Å
594	I	94.3	Very high	94.5	Very high	8 Å²	8	62.7 Å²	62.7	4%	0.041	31%	0.308	C	S	.	.	H	α-helix	trans	-60.2	-47	175.7	-66.2	167	0	0	0	110.8	E483 F484 P485 E590 L591 K596 R597 I598	E483-I594 HydrophobicContact CB-CG2 4.38Å; F484-I594 HydrophobicContact CD1-CB 4.36Å; F484-I594 HydrophobicContact CD1-CD1 4.32Å; F484-I594 HydrophobicContact CD1-CG2 3.81Å; F484-I594 HydrophobicContact CE1-CB 4.07Å; F484-I594 HydrophobicContact CE1-CG2 3.53Å; F484-I594 HydrophobicContact CZ-CG2 4.05Å; P485-I594 HydrophobicContact CG-CD1 4.41Å; E590-I594 HydrophobicContact CG-CD1 4.4Å; E590-I594 WeakPolarHBondContact O-CG1 3.45Å; E590-I594 PolarHBondContact O-N 3.33Å; L591-I594 PolarHBondContact O-N 2.88Å; I594-K596 VanDerWaalsContact C-N 3.32Å; I594-K596 PolarHBondContact O-N 3.29Å; I594-R597 PolarHBondContact O-N 3.2Å; I594-I598 HydrophobicContact CG2-CD1 3.54Å; I594-I598 HydrophobicContact CG2-CG1 4.36Å; I594-I598 VanDerWaalsContact O-CG1 3.32Å; I594-I598 WeakPolarHBondContact O-CG1 3.47Å; I594-I598 PolarHBondContact O-N 3.34Å
595	I	95.5	Very high	94.1	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-57.1	-45.7	176.6	-76.5	173.4	0	0	0	111.4	F484 I494 V503 L507 L591 L592 E593 I598 E599 L600	F484-I595 HydrophobicContact CE1-CG1 4.09Å; F484-I595 HydrophobicContact CZ-CG1 4.07Å; I494-I595 HydrophobicContact CG2-CD1 3.86Å; I494-I595 HydrophobicContact CG2-CG1 4.46Å; V503-I595 HydrophobicContact CG1-CD1 3.61Å; L507-I595 HydrophobicContact CD1-CD1 3.81Å; L507-I595 HydrophobicContact CD2-CD1 3.61Å; L507-I595 HydrophobicContact CG-CD1 3.93Å; L591-I595 WeakPolarHBondContact O-CG1 3.41Å; L591-I595 PolarHBondContact O-N 3.46Å; L592-I595 PolarHBondContact O-N 3.32Å; E593-I595 PolarHBondContact O-N 3.26Å; I595-I598 PolarHBondContact O-N 2.96Å; I595-E599 PolarHBondContact O-N 3.29Å; I595-E599 VanDerWaalsContact O-N 3.1Å; I595-L600 HydrophobicContact CG1-CD1 4.35Å; I595-L600 HydrophobicContact CG2-CB 4.05Å; I595-L600 PolarHBondContact O-N 2.89Å
596	K	95.6	Very high	93.8	Very high	138 Å²	138	66.8 Å²	66.8	60%	0.6	34%	0.341	S	S	*	.	H	α-helix	trans	-65.8	-41.3	177.8	-72.3	173.3	179.8	175.5	0	112.2	L592 E593 I594 I598 E599	L592-K596 HydrophobicContact CG-CD 4.34Å; L592-K596 WeakPolarHBondContact O-CG 3.38Å; L592-K596 PolarHBondContact O-N 2.96Å; E593-K596 PolarHBondContact O-N 3.42Å; I594-K596 VanDerWaalsContact C-N 3.32Å; I594-K596 PolarHBondContact O-N 3.29Å; K596-I598 VanDerWaalsContact C-N 3.34Å; K596-E599 PolarHBondContact O-N 3.15Å
597	R	95.1	Very high	93.8	Very high	146 Å²	146	65.8 Å²	65.8	55%	0.551	33%	0.331	S	S	*	.	H	α-helix	trans	-63.9	-38	179.2	-176.5	-176	74.9	-163.6	5.2	112.3	E483 E593 I594 E599	E483-R597 IonicContact OE2-CZ 2.94Å; E483-R597 IonicContact OE2-NH2 2.67Å; E483-R597 PolarHBondContact OE2-NH2 3.48Å; E593-R597 VanDerWaalsContact O-CB 3.29Å; E593-R597 WeakPolarHBondContact O-CB 3.4Å; E593-R597 PolarHBondContact O-N 2.94Å; I594-R597 PolarHBondContact O-N 3.2Å; R597-E599 VanDerWaalsContact C-N 3.27Å
598	I	94.1	Very high	93.3	Very high	49 Å²	49	68.3 Å²	68.3	25%	0.251	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-4.1	178.7	-57.3	171	0	0	0	111.2	I480 E483 I594 I595 K596 L600	I480-I598 HydrophobicContact CG1-CG2 4.48Å; I480-I598 HydrophobicContact CG2-CD1 4.22Å; I480-I598 HydrophobicContact CG2-CG2 4.27Å; E483-I598 HydrophobicContact CB-CD1 3.69Å; E483-I598 HydrophobicContact CG-CD1 3.85Å; I594-I598 HydrophobicContact CG2-CD1 3.54Å; I594-I598 HydrophobicContact CG2-CG1 4.36Å; I594-I598 VanDerWaalsContact O-CG1 3.32Å; I594-I598 WeakPolarHBondContact O-CG1 3.47Å; I594-I598 PolarHBondContact O-N 3.34Å; I595-I598 PolarHBondContact O-N 2.96Å; K596-I598 VanDerWaalsContact C-N 3.34Å; I598-L600 VanDerWaalsContact C-N 3.31Å; I598-L600 HydrophobicContact CB-CG 4.26Å; I598-L600 HydrophobicContact CG2-CD1 4.41Å; I598-L600 HydrophobicContact CG2-CD2 4.29Å; I598-L600 HydrophobicContact CG2-CG 4Å; I598-L600 PolarHBondContact O-N 2.97Å
599	E	95.3	Very high	93.1	Very high	176 Å²	176	69 Å²	69	82%	0.822	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	35.2	-179.3	-53.8	-175.1	160	0	0	113.7	I595 K596 R597	I595-E599 PolarHBondContact O-N 3.29Å; I595-E599 VanDerWaalsContact O-N 3.1Å; K596-E599 PolarHBondContact O-N 3.15Å; R597-E599 VanDerWaalsContact C-N 3.27Å
600	L	94.4	Very high	93	Very high	32 Å²	32	75.6 Å²	75.6	17%	0.168	39%	0.386	C	S	.	.			trans	-73.8	146.6	175.6	-66.5	175.2	0	0	0	111.4	I480 F484 L495 I595 I598 Y602	I480-L600 HydrophobicContact CG2-CD1 4.11Å; F484-L600 HydrophobicContact CZ-CD1 4.21Å; L495-L600 HydrophobicContact CD2-CD1 3.7Å; L495-L600 HydrophobicContact CD2-CD2 4.4Å; I595-L600 HydrophobicContact CG1-CD1 4.35Å; I595-L600 HydrophobicContact CG2-CB 4.05Å; I595-L600 PolarHBondContact O-N 2.89Å; I598-L600 VanDerWaalsContact C-N 3.31Å; I598-L600 HydrophobicContact CB-CG 4.26Å; I598-L600 HydrophobicContact CG2-CD1 4.41Å; I598-L600 HydrophobicContact CG2-CD2 4.29Å; I598-L600 HydrophobicContact CG2-CG 4Å; I598-L600 PolarHBondContact O-N 2.97Å; L600-Y602 PolarHBondContact O-N 2.92Å
601	P	93.4	Very high	92.9	Very high	81 Å²	81	79.8 Å²	79.8	53%	0.526	41%	0.406	S	S	.	.			trans	-56.1	136	176.2	-23.9	33.3	0	0	0	111.9	C498	C498-P601 HydrophobicContact CB-CB 4.46Å
602	Y	92.3	Very high	92.9	Very high	95 Å²	95	80 Å²	80	37%	0.373	41%	0.407	S	S	.	.			trans	-127.5	116.8	178.1	178.5	-94	0	0	0	110	V503 D504 L507 L592 L600	V503-Y602 HydrophobicContact CB-CD2 4.11Å; V503-Y602 HydrophobicContact CG1-CD2 3.76Å; V503-Y602 HydrophobicContact CG1-CE2 4.24Å; D504-Y602 HydrophobicContact CB-CE2 4.45Å; D504-Y602 PolarHBondContact OD1-OH 3.22Å; L507-Y602 HydrophobicContact CD1-CE2 4.43Å; L592-Y602 HydrophobicContact CD1-CD2 3.8Å; L592-Y602 HydrophobicContact CD1-CE2 3.57Å; L600-Y602 PolarHBondContact O-N 2.92Å
603	A	89.1	Confident	92.9	Very high	18 Å²	18	79.4 Å²	79.4	15%	0.149	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-88.4	147.6	176.1	0	0	0	0	0	111.4	D501	D501-A603 HydrophobicContact CB-CB 3.85Å
604	E	86.3	Confident	92.9	Very high	168 Å²	168	76.7 Å²	76.7	79%	0.785	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-68	151.2	174	-68.2	-171.8	171.7	0	0	111.6	A606	E604-A606 PolarHBondContact O-N 3.36Å
605	P	87.8	Confident	93.1	Very high	76 Å²	76	77.3 Å²	77.3	49%	0.494	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-61.4	130	-178.5	-15.8	25.9	0	0	0	112.5	D504	D504-P605 HydrophobicContact CB-CB 4.23Å; D504-P605 HydrophobicContact CB-CG 4.08Å
606	A	91	Very high	93.2	Very high	49 Å²	49	77.3 Å²	77.3	41%	0.405	40%	0.397	S	S	.	.			trans	-134.2	16.2	-176.7	0	0	0	0	0	113.9	E505 E604 S609 N612	E505-A606 PolarHBondContact OE1-N 3.1Å; E604-A606 PolarHBondContact O-N 3.36Å; A606-S609 PolarHBondContact O-N 3.12Å; A606-S609 PolarHBondContact O-OG 3.22Å; A606-N612 HydrophobicContact CB-CB 4.25Å; A606-N612 WeakPolarHBondContact O-CB 3.27Å
607	F	93.3	Very high	93.3	Very high	46 Å²	46	71.9 Å²	71.9	20%	0.202	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47	136.4	-179.6	-169.2	-118.3	0	0	0	114.6	E505 F545 I548 K552 N612 I616	E505-F607 HydrophobicContact CG-CB 3.98Å; E505-F607 HydrophobicContact CG-CD2 3.96Å; E505-F607 HydrophobicContact CG-CG 4.36Å; E505-F607 PolarHBondContact OE1-N 3.18Å; F545-F607 AromaticContact CD1-CE2 3.78Å; F545-F607 HydrophobicContact CD1-CE2 3.78Å; F545-F607 HydrophobicContact CD1-CZ 4.4Å; I548-F607 HydrophobicContact CB-CE1 4.44Å; I548-F607 HydrophobicContact CB-CE2 3.93Å; I548-F607 HydrophobicContact CB-CZ 3.88Å; I548-F607 HydrophobicContact CD1-CD2 4.07Å; I548-F607 HydrophobicContact CD1-CE2 3.66Å; I548-F607 HydrophobicContact CD1-CZ 4.44Å; I548-F607 HydrophobicContact CG1-CE2 4.42Å; I548-F607 HydrophobicContact CG2-CD1 3.98Å; I548-F607 HydrophobicContact CG2-CD2 3.87Å; I548-F607 HydrophobicContact CG2-CE1 3.83Å; I548-F607 HydrophobicContact CG2-CE2 3.7Å; I548-F607 HydrophobicContact CG2-CG 4Å; I548-F607 HydrophobicContact CG2-CZ 3.68Å; K552-F607 HydrophobicContact CD-CD1 4.02Å; F607-N612 VanDerWaalsContact CA-OD1 3.28Å; F607-N612 WeakPolarHBondContact CA-OD1 3.35Å; F607-I616 HydrophobicContact CD2-CD1 4.18Å; F607-I616 HydrophobicContact CE2-CD1 4.48Å
608	G	87	Confident	93.4	Very high	54 Å²	54	67 Å²	67	56%	0.557	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	99	-13.1	176	0	0	0	0	0	114.1
609	S	93	Very high	93.6	Very high	52 Å²	52	64.7 Å²	64.7	36%	0.364	34%	0.344	S	S	.	.	S	Bend	trans	-76.5	148.3	168.6	74.3	0	0	0	0	111.2	A606 E611 N612 C613	A606-S609 PolarHBondContact O-N 3.12Å; A606-S609 PolarHBondContact O-OG 3.22Å; S609-E611 PolarHBondContact O-N 2.98Å; S609-N612 PolarHBondContact O-N 3.21Å; S609-N612 WeakPolarHBondContact OG-CB 3.4Å; S609-N612 PolarHBondContact OG-N 3.47Å; S609-N612 VanDerWaalsContact OG-N 3.11Å; S609-C613 PolarHBondContact O-N 3.19Å; S609-C613 PolarHBondContact O-SG 3.38Å; S609-C613 VanDerWaalsContact O-SG 3.35Å
610	K	92.6	Very high	93.8	Very high	193 Å²	193	56.4 Å²	56.4	84%	0.839	31%	0.306	S	S	*	.	H	α-helix	trans	-60.1	-36.5	178.2	-71	-174.4	176.8	-176.2	0	112.5	L614	K610-L614 PolarHBondContact O-N 3.47Å; K610-L614 VanDerWaalsContact O-N 3.12Å
611	E	94.4	Very high	93.9	Very high	140 Å²	140	55 Å²	55	65%	0.654	30%	0.298	S	S	*	.	H	α-helix	trans	-67.4	-48.2	178	-177.9	170.5	-169.3	0	0	111.3	S609 C613 L614 N615	S609-E611 PolarHBondContact O-N 2.98Å; E611-C613 VanDerWaalsContact C-N 3.32Å; E611-C613 PolarHBondContact O-N 2.94Å; E611-L614 WeakPolarHBondContact O-CB 3.03Å; E611-L614 PolarHBondContact O-N 3.33Å; E611-L614 VanDerWaalsContact O-N 3.1Å; E611-N615 VanDerWaalsContact O-CG 3.3Å; E611-N615 PolarHBondContact O-N 3.13Å; E611-N615 PolarHBondContact O-OD1 3.1Å
612	N	95.1	Very high	94.1	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-39.8	175.8	178.7	-96.4	0	0	0	111.7	E505 A606 F607 S609 L614 N615 I616	E505-N612 PolarHBondContact OE2-ND2 3.41Å; A606-N612 HydrophobicContact CB-CB 4.25Å; A606-N612 WeakPolarHBondContact O-CB 3.27Å; F607-N612 VanDerWaalsContact CA-OD1 3.28Å; F607-N612 WeakPolarHBondContact CA-OD1 3.35Å; S609-N612 PolarHBondContact O-N 3.21Å; S609-N612 WeakPolarHBondContact OG-CB 3.4Å; S609-N612 PolarHBondContact OG-N 3.47Å; S609-N612 VanDerWaalsContact OG-N 3.11Å; N612-L614 VanDerWaalsContact C-N 3.3Å; N612-L614 PolarHBondContact O-N 2.92Å; N612-N615 PolarHBondContact O-N 3.46Å; N612-N615 VanDerWaalsContact O-N 3.15Å; N612-I616 WeakPolarHBondContact O-CG1 3.44Å; N612-I616 PolarHBondContact O-N 2.96Å; N612-I616 WeakPolarHBondContact OD1-CD1 3.36Å
613	C	96	Very high	94.3	Very high	12 Å²	12	47.4 Å²	47.4	8%	0.081	26%	0.261	C	S	.	.	H	α-helix	trans	-58.5	-42.2	173.7	-69.4	0	0	0	0	112.6	E541 F545 S609 E611 K617	E541-C613 HydrophobicContact CG-CB 4.48Å; F545-C613 HydrophobicContact CE1-CB 3.97Å; F545-C613 HydrophobicContact CZ-CB 4.38Å; S609-C613 PolarHBondContact O-N 3.19Å; S609-C613 PolarHBondContact O-SG 3.38Å; S609-C613 VanDerWaalsContact O-SG 3.35Å; E611-C613 VanDerWaalsContact C-N 3.32Å; E611-C613 PolarHBondContact O-N 2.94Å; C613-K617 WeakPolarHBondContact O-CG 3.27Å; C613-K617 PolarHBondContact O-N 3.19Å
614	L	96.3	Very high	94.7	Very high	74 Å²	74	46.8 Å²	46.8	39%	0.387	26%	0.255	S	S	.	.	H	α-helix	trans	-64.6	-43.5	175.2	-179.8	63.4	0	0	0	111.2	K610 E611 N612 K617 K618 L688	K610-L614 PolarHBondContact O-N 3.47Å; K610-L614 VanDerWaalsContact O-N 3.12Å; E611-L614 WeakPolarHBondContact O-CB 3.03Å; E611-L614 PolarHBondContact O-N 3.33Å; E611-L614 VanDerWaalsContact O-N 3.1Å; N612-L614 VanDerWaalsContact C-N 3.3Å; N612-L614 PolarHBondContact O-N 2.92Å; L614-K617 PolarHBondContact O-N 3.37Å; L614-K618 HydrophobicContact CG-CD 4.49Å; L614-K618 WeakPolarHBondContact O-CG 3.18Å; L614-K618 PolarHBondContact O-N 2.78Å; L614-L688 HydrophobicContact CD1-CD1 3.81Å; L614-L688 HydrophobicContact CD1-CD2 3.93Å
615	N	97.3	Very high	95.2	Very high	21 Å²	21	39 Å²	39	11%	0.112	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-42.6	-179.8	-71.4	-3.8	0	0	0	112.4	F500 C502 E611 N612 K617 K618 A619	F500-N615 HydrophobicContact CB-CB 3.94Å; F500-N615 WeakPolarHBondContact O-CB 3.49Å; F500-N615 PolarHBondContact O-ND2 3.32Å; C502-N615 HydrophobicContact CB-CB 4.15Å; C502-N615 VanDerWaalsContact SG-C 3.55Å; C502-N615 PolarHBondContact SG-O 2.98Å; E611-N615 VanDerWaalsContact O-CG 3.3Å; E611-N615 PolarHBondContact O-N 3.13Å; E611-N615 PolarHBondContact O-OD1 3.1Å; N612-N615 PolarHBondContact O-N 3.46Å; N612-N615 VanDerWaalsContact O-N 3.15Å; N615-K617 VanDerWaalsContact C-N 3.33Å; N615-K617 PolarHBondContact O-N 3.14Å; N615-K618 WeakPolarHBondContact O-CB 3.44Å; N615-K618 PolarHBondContact O-N 2.98Å; N615-K618 VanDerWaalsContact O-N 3.15Å; N615-A619 PolarHBondContact O-N 3.36Å
616	I	97.9	Very high	95.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.7	-46.2	173.1	-67.2	165	0	0	0	110.2	C502 E505 I509 F545 I548 F607 N612 K618 A619 L620	C502-I616 HydrophobicContact CB-CG1 3.93Å; E505-I616 HydrophobicContact CB-CD1 3.62Å; E505-I616 HydrophobicContact CB-CG1 3.95Å; E505-I616 HydrophobicContact CG-CD1 3.88Å; I509-I616 HydrophobicContact CD1-CG2 3.77Å; F545-I616 HydrophobicContact CD1-CD1 4.49Å; F545-I616 HydrophobicContact CE1-CB 4.25Å; F545-I616 HydrophobicContact CE1-CD1 3.83Å; F545-I616 HydrophobicContact CE1-CG2 4.23Å; F545-I616 HydrophobicContact CE2-CG2 4.27Å; F545-I616 HydrophobicContact CZ-CB 3.97Å; F545-I616 HydrophobicContact CZ-CD1 4.41Å; F545-I616 HydrophobicContact CZ-CG2 3.78Å; I548-I616 HydrophobicContact CD1-CD1 4.19Å; F607-I616 HydrophobicContact CD2-CD1 4.18Å; F607-I616 HydrophobicContact CE2-CD1 4.48Å; N612-I616 WeakPolarHBondContact O-CG1 3.44Å; N612-I616 PolarHBondContact O-N 2.96Å; N612-I616 WeakPolarHBondContact OD1-CD1 3.36Å; I616-K618 VanDerWaalsContact C-N 3.31Å; I616-K618 PolarHBondContact O-N 3.35Å; I616-A619 PolarHBondContact O-N 3.23Å; I616-L620 HydrophobicContact CG2-CD1 3.95Å; I616-L620 HydrophobicContact CG2-CG 4.33Å; I616-L620 WeakPolarHBondContact O-CG 3.22Å; I616-L620 PolarHBondContact O-N 2.9Å
617	K	97.6	Very high	95.7	Very high	23 Å²	23	36.1 Å²	36.1	10%	0.1	19%	0.19	C	C	.	.	H	α-helix	trans	-61.4	-39.4	177	-70.5	-177.5	-174.6	-165.9	0	111.9	E541 F545 C613 L614 N615 L621 E683 L688	E541-K617 WeakPolarHBondContact OE2-CE 3.49Å; E541-K617 IonicContact OE2-NZ 2.86Å; E541-K617 PolarHBondContact OE2-NZ 2.97Å; F545-K617 HydrophobicContact CE2-CG 4.22Å; F545-K617 HydrophobicContact CZ-CG 4.1Å; C613-K617 WeakPolarHBondContact O-CG 3.27Å; C613-K617 PolarHBondContact O-N 3.19Å; L614-K617 PolarHBondContact O-N 3.37Å; N615-K617 VanDerWaalsContact C-N 3.33Å; N615-K617 PolarHBondContact O-N 3.14Å; K617-L621 VanDerWaalsContact O-CB 3.26Å; K617-L621 WeakPolarHBondContact O-CB 3.44Å; K617-L621 VanDerWaalsContact O-CG 3.32Å; K617-L621 WeakPolarHBondContact O-CG 3.34Å; K617-L621 PolarHBondContact O-N 3.06Å; K617-E683 WeakPolarHBondContact CD-O 3.29Å; K617-E683 WeakPolarHBondContact CE-O 3.31Å; K617-E683 PolarHBondContact NZ-O 3.24Å; K617-L688 HydrophobicContact CB-CD2 3.79Å; K617-L688 HydrophobicContact CD-CD2 4.47Å
618	K	98.1	Very high	95.9	Very high	44 Å²	44	34 Å²	34	19%	0.191	18%	0.181	C	C	.	.	H	α-helix	trans	-63.5	-45.6	175.7	-69.9	175.8	174.3	174.6	0	112	F500 L614 N615 I616 L621 S622 L688 L692	F500-K618 HydrophobicContact CD1-CB 4.21Å; F500-K618 HydrophobicContact CD1-CD 3.89Å; F500-K618 HydrophobicContact CD2-CB 3.67Å; F500-K618 HydrophobicContact CE1-CB 4.17Å; F500-K618 HydrophobicContact CE1-CD 3.9Å; F500-K618 HydrophobicContact CE2-CB 3.62Å; F500-K618 HydrophobicContact CG-CB 3.98Å; F500-K618 HydrophobicContact CG-CD 4.37Å; F500-K618 HydrophobicContact CZ-CB 3.89Å; F500-K618 HydrophobicContact CZ-CD 4.38Å; L614-K618 HydrophobicContact CG-CD 4.49Å; L614-K618 WeakPolarHBondContact O-CG 3.18Å; L614-K618 PolarHBondContact O-N 2.78Å; N615-K618 WeakPolarHBondContact O-CB 3.44Å; N615-K618 PolarHBondContact O-N 2.98Å; N615-K618 VanDerWaalsContact O-N 3.15Å; I616-K618 VanDerWaalsContact C-N 3.31Å; I616-K618 PolarHBondContact O-N 3.35Å; K618-L621 PolarHBondContact O-N 3.13Å; K618-S622 PolarHBondContact O-N 3.5Å; K618-S622 PolarHBondContact O-OG 2.82Å; K618-L688 HydrophobicContact CD-CD1 4.46Å; K618-L688 HydrophobicContact CG-CD1 3.65Å; K618-L692 VanDerWaalsContact CA-CD1 3.48Å; K618-L692 HydrophobicContact CB-CD1 3.8Å; K618-L692 HydrophobicContact CG-CD1 3.95Å; K618-L692 WeakPolarHBondContact O-CD1 3.14Å
619	A	98	Very high	96.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.3	-48.6	177.7	0	0	0	0	0	111.4	S493 F500 V506 N615 I616 L621 S622	S493-A619 WeakPolarHBondContact CA-O 3.42Å; F500-A619 HydrophobicContact CD2-CB 4.09Å; V506-A619 HydrophobicContact CG2-CB 3.86Å; N615-A619 PolarHBondContact O-N 3.36Å; I616-A619 PolarHBondContact O-N 3.23Å; A619-L621 PolarHBondContact O-N 3.04Å; A619-S622 WeakPolarHBondContact O-CB 3.39Å; A619-S622 PolarHBondContact O-N 2.9Å
620	L	98.1	Very high	96.5	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-60.8	-46.3	176.3	-68.4	174.2	0	0	0	111.7	I509 H544 I616 S622 G623 Y624 L666	I509-L620 HydrophobicContact CD1-CD1 4.27Å; I509-L620 HydrophobicContact CD1-CD2 4.45Å; I509-L620 HydrophobicContact CG2-CD2 4.3Å; H544-L620 HydrophobicContact CB-CD1 4.06Å; I616-L620 HydrophobicContact CG2-CD1 3.95Å; I616-L620 HydrophobicContact CG2-CG 4.33Å; I616-L620 WeakPolarHBondContact O-CG 3.22Å; I616-L620 PolarHBondContact O-N 2.9Å; L620-S622 PolarHBondContact O-N 2.92Å; L620-G623 PolarHBondContact O-N 3.28Å; L620-Y624 VanDerWaalsContact O-CB 3.31Å; L620-Y624 WeakPolarHBondContact O-CB 3.47Å; L620-Y624 PolarHBondContact O-N 3.49Å; L620-L666 HydrophobicContact CB-CD1 4.26Å
621	L	97.6	Very high	96.6	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-59.7	-33.8	178.1	-84.3	167.3	0	0	0	112.5	K617 K618 A619 G623 Y624 F625 I628 L666 I684 L688 F689 L692	K617-L621 VanDerWaalsContact O-CB 3.26Å; K617-L621 WeakPolarHBondContact O-CB 3.44Å; K617-L621 VanDerWaalsContact O-CG 3.32Å; K617-L621 WeakPolarHBondContact O-CG 3.34Å; K617-L621 PolarHBondContact O-N 3.06Å; K618-L621 PolarHBondContact O-N 3.13Å; A619-L621 PolarHBondContact O-N 3.04Å; L621-G623 PolarHBondContact O-N 3.03Å; L621-Y624 PolarHBondContact O-N 2.85Å; L621-F625 WeakPolarHBondContact O-CA 3.42Å; L621-F625 VanDerWaalsContact O-CB 3.25Å; L621-F625 WeakPolarHBondContact O-CB 3.41Å; L621-F625 WeakPolarHBondContact O-CD1 3.44Å; L621-F625 PolarHBondContact O-N 3.14Å; L621-I628 HydrophobicContact CD2-CD1 3.77Å; L621-L666 HydrophobicContact CD2-CD1 3.73Å; L621-L666 HydrophobicContact CG-CD1 3.94Å; L621-I684 HydrophobicContact CD1-CB 4.45Å; L621-I684 HydrophobicContact CD1-CG2 4.07Å; L621-I684 HydrophobicContact CD2-CD1 4.43Å; L621-I684 HydrophobicContact CD2-CG2 4.21Å; L621-I684 HydrophobicContact CG-CG2 4.19Å; L621-L688 HydrophobicContact CD1-CB 4.3Å; L621-L688 HydrophobicContact CD1-CD2 3.61Å; L621-L688 HydrophobicContact CD1-CG 3.59Å; L621-F689 HydrophobicContact CD2-CD2 4.04Å; L621-L692 HydrophobicContact CB-CD1 3.7Å; L621-L692 HydrophobicContact CD1-CD1 4.15Å
622	S	97.5	Very high	96.2	Very high	17 Å²	17	17.1 Å²	17.1	12%	0.119	9%	0.088	C	C	.	.	H	α-helix	trans	-64.8	-26.6	-179.9	-58.8	0	0	0	0	113.3	K492 K618 A619 L620 F625	K492-S622 WeakPolarHBondContact CG-O 3.32Å; K618-S622 PolarHBondContact O-N 3.5Å; K618-S622 PolarHBondContact O-OG 2.82Å; A619-S622 WeakPolarHBondContact O-CB 3.39Å; A619-S622 PolarHBondContact O-N 2.9Å; L620-S622 PolarHBondContact O-N 2.92Å; S622-F625 WeakPolarHBondContact O-CD1 3.42Å; S622-F625 WeakPolarHBondContact O-CE1 3.48Å
623	G	97.1	Very high	95.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-102.1	-29	173.2	0	0	0	0	0	114.6	Q489 S493 L620 L621	Q489-G623 VanDerWaalsContact CB-O 3.31Å; Q489-G623 WeakPolarHBondContact CB-O 3.31Å; Q489-G623 WeakPolarHBondContact CG-O 3.37Å; Q489-G623 VanDerWaalsContact O-CA 3.32Å; Q489-G623 WeakPolarHBondContact O-CA 3.43Å; S493-G623 WeakPolarHBondContact OG-CA 3.26Å; L620-G623 PolarHBondContact O-N 3.28Å; L621-G623 PolarHBondContact O-N 3.03Å
624	Y	97	Very high	95.4	Very high	6 Å²	6	24.7 Å²	24.7	2%	0.024	14%	0.144	C	C	.	.	H	α-helix	trans	-111.1	16.7	-171.1	-73.4	-87	0	0	0	114.2	Q489 L490 S493 L620 L621 M626 Q627 L666 H668	Q489-Y624 HydrophobicContact CB-CD1 4.29Å; Q489-Y624 HydrophobicContact CB-CD2 4.43Å; Q489-Y624 HydrophobicContact CB-CE1 3.93Å; Q489-Y624 HydrophobicContact CB-CE2 4.06Å; L490-Y624 HydrophobicContact CB-CE2 4.37Å; L490-Y624 WeakPolarHBondContact CB-OH 3.25Å; L490-Y624 HydrophobicContact CD1-CE2 4.1Å; S493-Y624 WeakPolarHBondContact OG-CD2 3.36Å; L620-Y624 VanDerWaalsContact O-CB 3.31Å; L620-Y624 WeakPolarHBondContact O-CB 3.47Å; L620-Y624 PolarHBondContact O-N 3.49Å; L621-Y624 PolarHBondContact O-N 2.85Å; Y624-M626 PolarHBondContact O-N 2.97Å; Y624-Q627 HydrophobicContact CD1-CB 4.41Å; Y624-Q627 HydrophobicContact CD1-CG 4.37Å; Y624-Q627 VanDerWaalsContact CE1-OE1 3.27Å; Y624-Q627 PolarHBondContact O-N 3.39Å; Y624-L666 HydrophobicContact CG-CD2 4.45Å; Y624-H668 AromaticContact CE1-CE1 3.95Å; Y624-H668 AromaticContact CE1-ND1 3.53Å; Y624-H668 AromaticContact CE2-ND1 3.97Å; Y624-H668 AromaticContact CZ-CE1 3.4Å; Y624-H668 VanDerWaalsContact CZ-CE1 3.4Å; Y624-H668 AromaticContact CZ-ND1 3.32Å; Y624-H668 VanDerWaalsContact CZ-ND1 3.32Å; Y624-H668 PolarHBondContact OH-CE1 3.38Å; Y624-H668 PolarHBondContact OH-ND1 3.32Å
625	F	96.1	Very high	95	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.018	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-20.4	175.5	59.6	-93.4	0	0	0	113.6	Y464 L465 L621 S622 Q627 I628 F689 V693 P694 Y697	Y464-F625 WeakPolarHBondContact O-CZ 3.4Å; L465-F625 HydrophobicContact CD2-CE1 3.97Å; L465-F625 HydrophobicContact CD2-CZ 4.27Å; L621-F625 WeakPolarHBondContact O-CA 3.42Å; L621-F625 VanDerWaalsContact O-CB 3.25Å; L621-F625 WeakPolarHBondContact O-CB 3.41Å; L621-F625 WeakPolarHBondContact O-CD1 3.44Å; L621-F625 PolarHBondContact O-N 3.14Å; S622-F625 WeakPolarHBondContact O-CD1 3.42Å; S622-F625 WeakPolarHBondContact O-CE1 3.48Å; F625-Q627 VanDerWaalsContact C-N 3.31Å; F625-I628 WeakPolarHBondContact O-CG1 3.1Å; F625-F689 HydrophobicContact CB-CE2 4.03Å; F625-F689 WeakPolarHBondContact O-CE2 3.25Å; F625-V693 HydrophobicContact CD2-CG2 4.43Å; F625-P694 HydrophobicContact CE1-CG 4.1Å; F625-P694 HydrophobicContact CE2-CG 4.04Å; F625-P694 HydrophobicContact CZ-CG 3.82Å; F625-Y697 AromaticContact CD2-CD1 3.76Å; F625-Y697 HydrophobicContact CD2-CD1 3.76Å; F625-Y697 HydrophobicContact CD2-CD2 4.34Å; F625-Y697 AromaticContact CD2-CE1 3.96Å; F625-Y697 HydrophobicContact CD2-CE1 3.96Å; F625-Y697 AromaticContact CD2-CG 3.95Å; F625-Y697 HydrophobicContact CD2-CG 3.95Å; F625-Y697 HydrophobicContact CE2-CD1 4.12Å; F625-Y697 HydrophobicContact CE2-CD2 4.04Å; F625-Y697 AromaticContact CE2-CG 3.82Å; F625-Y697 HydrophobicContact CE2-CG 3.82Å
626	M	94.9	Very high	94.6	Very high	20 Å²	20	23.8 Å²	23.8	10%	0.099	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.9	174.6	-60.6	-173.9	-81.8	0	0	113.6	D461 Y464 L465 Q489 Y624 T642 Y697	D461-M626 HydrophobicContact CB-CE 4.33Å; Y464-M626 HydrophobicContact CD2-SD 3.98Å; L465-M626 HydrophobicContact CD1-CE 4.38Å; L465-M626 HydrophobicContact CD2-CE 4.26Å; L465-M626 HydrophobicContact CG-CE 4.14Å; Q489-M626 HydrophobicContact CG-CE 4.24Å; Y624-M626 PolarHBondContact O-N 2.97Å; M626-T642 PolarHBondContact O-OG1 3.2Å; M626-Y697 HydrophobicContact CB-CE2 4.29Å; M626-Y697 HydrophobicContact CG-CD2 4.1Å; M626-Y697 HydrophobicContact CG-CE2 3.66Å; M626-Y697 HydrophobicContact SD-CE2 4.49Å
627	Q	95.4	Very high	94.3	Very high	44 Å²	44	26.5 Å²	26.5	21%	0.206	16%	0.161	C	C	.	.	S	Bend	trans	-112.6	57.8	-175.1	-65.1	-167.7	-27.2	0	0	111.5	Y624 F625 F667 H668	Y624-Q627 HydrophobicContact CD1-CB 4.41Å; Y624-Q627 HydrophobicContact CD1-CG 4.37Å; Y624-Q627 VanDerWaalsContact CE1-OE1 3.27Å; Y624-Q627 PolarHBondContact O-N 3.39Å; F625-Q627 VanDerWaalsContact C-N 3.31Å; Q627-F667 HydrophobicContact CB-CD1 4.33Å; Q627-F667 HydrophobicContact CB-CD2 4.01Å; Q627-F667 HydrophobicContact CB-CE1 4.08Å; Q627-F667 HydrophobicContact CB-CE2 3.74Å; Q627-F667 HydrophobicContact CB-CG 4.3Å; Q627-F667 HydrophobicContact CB-CZ 3.78Å; Q627-F667 WeakPolarHBondContact CB-O 3.48Å; Q627-F667 HydrophobicContact CG-CD2 4.49Å; Q627-F667 HydrophobicContact CG-CE2 3.94Å; Q627-F667 HydrophobicContact CG-CZ 4.21Å; Q627-F667 WeakPolarHBondContact O-CD1 3.31Å; Q627-F667 WeakPolarHBondContact O-CE1 3.22Å; Q627-F667 PolarHBondContact O-N 2.96Å; Q627-F667 PolarHBondContact OE1-O 3.03Å; Q627-H668 PolarHBondContact OE1-O 3.14Å; Q627-H668 VanDerWaalsContact OE1-O 3.05Å
628	I	96.4	Very high	94.2	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	138.5	177.5	-56.2	-56.9	0	0	0	110.5	L621 F625 M640 L641 W664 V665 L666 I684 F689	L621-I628 HydrophobicContact CD2-CD1 3.77Å; F625-I628 WeakPolarHBondContact O-CG1 3.1Å; I628-M640 WeakPolarHBondContact O-CA 3.18Å; I628-L641 HydrophobicContact CB-CD1 3.82Å; I628-L641 HydrophobicContact CB-CG 4.14Å; I628-L641 HydrophobicContact CG2-CD1 3.7Å; I628-L641 HydrophobicContact CG2-CG 4.08Å; I628-L641 PolarHBondContact O-N 3.06Å; I628-L641 VanDerWaalsContact O-N 3.12Å; I628-W664 HydrophobicContact CG2-CE3 4.12Å; I628-V665 WeakPolarHBondContact CA-O 3.2Å; I628-L666 HydrophobicContact CD1-CB 3.73Å; I628-L666 HydrophobicContact CD1-CD1 4.07Å; I628-L666 HydrophobicContact CD1-CG 3.97Å; I628-I684 HydrophobicContact CD1-CD1 3.99Å; I628-I684 HydrophobicContact CD1-CG1 4.41Å; I628-I684 HydrophobicContact CG2-CD1 3.99Å; I628-F689 HydrophobicContact CB-CE2 4.47Å; I628-F689 HydrophobicContact CD1-CD2 4.34Å; I628-F689 HydrophobicContact CG1-CD2 3.8Å; I628-F689 HydrophobicContact CG1-CE2 3.61Å
629	A	96.1	Very high	94.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	151.9	173	0	0	0	0	0	111.6	Y638 L639 M640 V665 F667 I678	A629-Y638 HydrophobicContact CB-CD1 4.36Å; A629-L639 VanDerWaalsContact CA-O 3.32Å; A629-L639 WeakPolarHBondContact CA-O 3.39Å; A629-M640 HydrophobicContact CB-CG 4.16Å; A629-V665 HydrophobicContact CB-CG2 4.14Å; A629-V665 PolarHBondContact N-O 2.78Å; A629-V665 PolarHBondContact O-N 3.46Å; A629-F667 HydrophobicContact CB-CD1 4.22Å; A629-F667 HydrophobicContact CB-CE1 4.1Å; A629-I678 HydrophobicContact CB-CD1 4.29Å
630	R	96.2	Very high	93.9	Very high	17 Å²	17	25.8 Å²	25.8	6%	0.064	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.8	180	-174.1	-163.7	179	-145.1	-7.1	111	V632 Y638 L639 E663 W664 E705 S706	R630-V632 PolarHBondContact O-N 3.36Å; R630-Y638 CarbonylContact O-C 3.52Å; R630-Y638 WeakPolarHBondContact O-CA 3.46Å; R630-L639 PolarHBondContact N-O 3.19Å; R630-L639 PolarHBondContact O-N 2.99Å; R630-E663 CarbonylContact C-O 3.54Å; R630-E663 WeakPolarHBondContact CA-O 3.32Å; R630-E663 HydrophobicContact CG-CG 4.06Å; R630-E663 WeakPolarHBondContact CG-O 3.26Å; R630-E663 IonicContact CZ-OE1 2.81Å; R630-E663 VanDerWaalsContact CZ-OE1 3.23Å; R630-E663 IonicContact NE-OE1 3.49Å; R630-E663 PolarHBondContact NE-OE1 2.67Å; R630-E663 IonicContact NH2-OE1 3.63Å; R630-E663 PolarHBondContact NH2-OE1 3.2Å; R630-W664 HydrophobicContact CB-CD2 4.13Å; R630-W664 HydrophobicContact CB-CE3 4.01Å; R630-W664 HydrophobicContact CB-CH2 4.42Å; R630-W664 HydrophobicContact CB-CZ3 4.17Å; R630-W664 HydrophobicContact CG-CD2 3.86Å; R630-W664 HydrophobicContact CG-CE3 4.23Å; R630-W664 HydrophobicContact CG-CG 4.36Å; R630-W664 HydrophobicContact CG-CH2 4.32Å; R630-W664 HydrophobicContact CG-CZ2 3.93Å; R630-W664 HydrophobicContact CG-CZ3 4.45Å; R630-E705 IonicContact CZ-OE1 2.94Å; R630-E705 IonicContact NH1-OE1 2.84Å; R630-E705 PolarHBondContact NH1-OE1 2.65Å; R630-E705 IonicContact NH2-OE1 2.87Å; R630-E705 PolarHBondContact NH2-OE1 2.95Å; R630-S706 WeakPolarHBondContact CD-OG 3.45Å
631	D	94.9	Very high	93.6	Very high	10 Å²	10	26 Å²	26	5%	0.053	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	108.9	165	-172.4	-2.6	0	0	0	109.2	D633 G634 S635 G636 Y638 E663	D631-D633 PolarHBondContact OD1-N 2.95Å; D631-G634 WeakPolarHBondContact OD1-CA 3.34Å; D631-G634 PolarHBondContact OD1-N 3Å; D631-G634 VanDerWaalsContact OD2-CA 3.27Å; D631-G634 WeakPolarHBondContact OD2-CA 3.35Å; D631-S635 PolarHBondContact OD1-N 3.22Å; D631-G636 WeakPolarHBondContact OD2-CA 3.26Å; D631-G636 PolarHBondContact OD2-N 3.16Å; D631-Y638 HydrophobicContact CB-CD1 4.08Å; D631-Y638 HydrophobicContact CB-CE1 3.87Å; D631-Y638 HydrophobicContact CB-CE2 4.28Å; D631-Y638 HydrophobicContact CB-CG 4.42Å; D631-E663 PolarHBondContact N-O 3.24Å
632	V	87.7	Confident	93	Very high	58 Å²	58	27.1 Å²	27.1	35%	0.352	17%	0.168	S	C	.	.	S	Bend	trans	-84.1	-27	-172.1	-86.6	0	0	0	0	113.4	R630	R630-V632 PolarHBondContact O-N 3.36Å
633	D	86.7	Confident	92.3	Very high	110 Å²	110	28.5 Å²	28.5	59%	0.588	17%	0.173	S	C	*	.	S	Bend	trans	-124	2.5	-173.2	64.7	-4	0	0	0	113.5	D631 S635	D631-D633 PolarHBondContact OD1-N 2.95Å; D633-S635 PolarHBondContact O-N 3.47Å; D633-S635 WeakPolarHBondContact OD1-CB 3.25Å; D633-S635 PolarHBondContact OD1-N 2.96Å; D633-S635 PolarHBondContact OD1-OG 3.32Å; D633-S635 PolarHBondContact OD2-OG 3.41Å; D633-S635 VanDerWaalsContact OD2-OG 3.11Å
634	G	86.3	Confident	91.7	Very high	66 Å²	66	33 Å²	33	68%	0.68	19%	0.193	S	C	*	.	S	Bend	trans	71.9	12.5	-178.6	0	0	0	0	0	113	D631 G636	D631-G634 WeakPolarHBondContact OD1-CA 3.34Å; D631-G634 PolarHBondContact OD1-N 3Å; D631-G634 VanDerWaalsContact OD2-CA 3.27Å; D631-G634 WeakPolarHBondContact OD2-CA 3.35Å; G634-G636 VanDerWaalsContact C-N 3.31Å
635	S	87.5	Confident	91.4	Very high	63 Å²	63	35.4 Å²	35.4	44%	0.441	20%	0.204	S	C	.	.	S	Bend	trans	-86.9	-2.4	-179.8	72.2	0	0	0	0	113	D631 D633 N637	D631-S635 PolarHBondContact OD1-N 3.22Å; D633-S635 PolarHBondContact O-N 3.47Å; D633-S635 WeakPolarHBondContact OD1-CB 3.25Å; D633-S635 PolarHBondContact OD1-N 2.96Å; D633-S635 PolarHBondContact OD1-OG 3.32Å; D633-S635 PolarHBondContact OD2-OG 3.41Å; D633-S635 VanDerWaalsContact OD2-OG 3.11Å; S635-N637 VanDerWaalsContact C-N 3.34Å; S635-N637 PolarHBondContact OG-ND2 2.85Å
636	G	89.1	Confident	91.2	Very high	12 Å²	12	38.5 Å²	38.5	12%	0.124	22%	0.223	C	C	.	.	S	Bend	trans	80.2	16.2	-172.8	0	0	0	0	0	113.4	D631 G634 Y638	D631-G636 WeakPolarHBondContact OD2-CA 3.26Å; D631-G636 PolarHBondContact OD2-N 3.16Å; G634-G636 VanDerWaalsContact C-N 3.31Å; G636-Y638 WeakPolarHBondContact O-CD2 3.35Å
637	N	92.9	Very high	91.2	Very high	57 Å²	57	37.7 Å²	37.7	31%	0.305	22%	0.219	S	C	.	.			trans	-98.4	100.3	174.7	-69.2	-44.9	0	0	0	109.4	S635 V646 Q648	S635-N637 VanDerWaalsContact C-N 3.34Å; S635-N637 PolarHBondContact OG-ND2 2.85Å; N637-V646 HydrophobicContact CB-CG1 4.01Å; N637-Q648 PolarHBondContact OD1-NE2 3.01Å
638	Y	95.3	Very high	91.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.7	-175.7	-71.1	-99.5	0	0	0	111.1	A629 R630 D631 G636 V646 A647 L649 P662 V665 I678	A629-Y638 HydrophobicContact CB-CD1 4.36Å; R630-Y638 CarbonylContact O-C 3.52Å; R630-Y638 WeakPolarHBondContact O-CA 3.46Å; D631-Y638 HydrophobicContact CB-CD1 4.08Å; D631-Y638 HydrophobicContact CB-CE1 3.87Å; D631-Y638 HydrophobicContact CB-CE2 4.28Å; D631-Y638 HydrophobicContact CB-CG 4.42Å; G636-Y638 WeakPolarHBondContact O-CD2 3.35Å; Y638-V646 WeakPolarHBondContact O-CA 3.34Å; Y638-A647 WeakPolarHBondContact CA-O 3.47Å; Y638-A647 WeakPolarHBondContact CB-O 3.42Å; Y638-A647 PolarHBondContact N-O 3.5Å; Y638-A647 PolarHBondContact O-N 3.36Å; Y638-L649 HydrophobicContact CD2-CD2 4.01Å; Y638-L649 HydrophobicContact CD2-CG 4.13Å; Y638-L649 HydrophobicContact CE1-CD2 4.4Å; Y638-L649 HydrophobicContact CE2-CD1 4.1Å; Y638-L649 HydrophobicContact CE2-CD2 3.7Å; Y638-L649 HydrophobicContact CE2-CG 3.52Å; Y638-P662 VanDerWaalsContact CE1-O 3.31Å; Y638-P662 WeakPolarHBondContact CE1-O 3.5Å; Y638-P662 PolarHBondContact OH-O 3.17Å; Y638-V665 HydrophobicContact CD1-CG2 3.51Å; Y638-V665 HydrophobicContact CE1-CB 4.33Å; Y638-V665 HydrophobicContact CE1-CG1 3.79Å; Y638-V665 HydrophobicContact CE1-CG2 3.6Å; Y638-V665 HydrophobicContact CG-CG2 4.41Å; Y638-I678 HydrophobicContact CG-CD1 4.24Å
639	L	94.9	Very high	91	Very high	38 Å²	38	39.9 Å²	39.9	20%	0.199	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.9	175.1	-173.4	70.2	0	0	0	110.3	A629 R630 K644 V646	A629-L639 VanDerWaalsContact CA-O 3.32Å; A629-L639 WeakPolarHBondContact CA-O 3.39Å; R630-L639 PolarHBondContact N-O 3.19Å; R630-L639 PolarHBondContact O-N 2.99Å; L639-K644 HydrophobicContact CD1-CB 4.11Å; L639-K644 WeakPolarHBondContact CD1-O 3.07Å; L639-V646 HydrophobicContact CD1-CG2 3.7Å
640	M	94	Very high	90.8	Very high	15 Å²	15	41.4 Å²	41.4	7%	0.074	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	140.4	177	-61.4	179.9	-174	0	0	112.1	I628 A629 K644 Q645 A647 F667 F670 I678	I628-M640 WeakPolarHBondContact O-CA 3.18Å; A629-M640 HydrophobicContact CB-CG 4.16Å; M640-K644 WeakPolarHBondContact O-CA 3.28Å; M640-K644 PolarHBondContact O-N 3.39Å; M640-K644 VanDerWaalsContact O-N 3.12Å; M640-Q645 PolarHBondContact N-O 3.06Å; M640-Q645 HydrophobicContact SD-CB 3.98Å; M640-A647 HydrophobicContact CE-CB 3.98Å; M640-F667 HydrophobicContact CE-CE1 4.21Å; M640-F667 HydrophobicContact CE-CE2 4.33Å; M640-F667 HydrophobicContact CE-CZ 3.83Å; M640-F667 HydrophobicContact CG-CE1 4.1Å; M640-F667 HydrophobicContact CG-CZ 4.19Å; M640-F667 HydrophobicContact SD-CE1 4.3Å; M640-F667 HydrophobicContact SD-CZ 3.8Å; M640-F670 HydrophobicContact CE-CB 3.96Å; M640-F670 HydrophobicContact CE-CD1 3.58Å; M640-F670 HydrophobicContact CE-CD2 3.24Å; M640-F670 HydrophobicContact CE-CE1 3.8Å; M640-F670 HydrophobicContact CE-CE2 3.48Å; M640-F670 VanDerWaalsContact CE-CE2 3.48Å; M640-F670 HydrophobicContact CE-CG 3.29Å; M640-F670 HydrophobicContact CE-CZ 3.75Å; M640-F670 HydrophobicContact SD-CD1 3.87Å; M640-F670 HydrophobicContact SD-CE1 3.97Å; M640-F670 HydrophobicContact SD-CG 4.17Å; M640-F670 HydrophobicContact SD-CZ 4.35Å; M640-I678 HydrophobicContact CE-CG2 3.4Å; M640-I678 VanDerWaalsContact CE-CG2 3.4Å
641	L	92.4	Very high	90.5	Very high	7 Å²	7	44 Å²	44	4%	0.037	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-47	-175.1	-59.7	-172.4	0	0	0	113.4	I628 W664 F689 L701 P702 L710	I628-L641 HydrophobicContact CB-CD1 3.82Å; I628-L641 HydrophobicContact CB-CG 4.14Å; I628-L641 HydrophobicContact CG2-CD1 3.7Å; I628-L641 HydrophobicContact CG2-CG 4.08Å; I628-L641 PolarHBondContact O-N 3.06Å; I628-L641 VanDerWaalsContact O-N 3.12Å; L641-W664 HydrophobicContact CD1-CZ3 4.23Å; L641-W664 HydrophobicContact CD2-CZ3 4.01Å; L641-F689 HydrophobicContact CD1-CE1 4.49Å; L641-F689 HydrophobicContact CD1-CZ 4.17Å; L641-L701 HydrophobicContact CB-CD2 4.09Å; L641-P702 WeakPolarHBondContact O-CD 3.4Å; L641-P702 VanDerWaalsContact O-CG 3.29Å; L641-P702 WeakPolarHBondContact O-CG 3.36Å; L641-L710 HydrophobicContact CD1-CD1 3.98Å
642	T	85.5	Confident	90.1	Very high	24 Å²	24	47.1 Å²	47.1	15%	0.147	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-42.6	-170.4	-38.5	0	0	0	0	113.1	M626 Y697 P702	M626-T642 PolarHBondContact O-OG1 3.2Å; T642-Y697 HydrophobicContact CG2-CE2 4.45Å; T642-Y697 PolarHBondContact OG1-OH 2.81Å; T642-P702 WeakPolarHBondContact O-CG 3.33Å
643	H	82.3	Confident	90.3	Very high	46 Å²	46	44.5 Å²	44.5	21%	0.213	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	6.9	-167.9	-54.1	-64.3	0	0	0	114.5	R369 I370 R371 Q645	R369-H643 PolarHBondContact O-CE1 3.32Å; R369-H643 PolarHBondContact O-ND1 2.96Å; I370-H643 HydrophobicContact CB-CB 4.37Å; I370-H643 PolarHBondContact O-CD2 3.05Å; R371-H643 WeakPolarHBondContact CB-NE2 3.25Å; R371-H643 WeakPolarHBondContact CD-NE2 3.43Å; R371-H643 VanDerWaalsContact CG-NE2 3.26Å; R371-H643 WeakPolarHBondContact CG-NE2 3.37Å; H643-Q645 HydrophobicContact CB-CG 4.34Å; H643-Q645 PolarHBondContact O-N 3.34Å
644	K	83.9	Confident	90.5	Very high	96 Å²	96	39.5 Å²	39.5	42%	0.417	23%	0.231	S	C	.	.			trans	52.6	29.4	177.3	-58.6	-177.8	176.7	-178.5	0	114	L639 M640 P702 P703	L639-K644 HydrophobicContact CD1-CB 4.11Å; L639-K644 WeakPolarHBondContact CD1-O 3.07Å; M640-K644 WeakPolarHBondContact O-CA 3.28Å; M640-K644 PolarHBondContact O-N 3.39Å; M640-K644 VanDerWaalsContact O-N 3.12Å; K644-P702 HydrophobicContact CG-CG 4.44Å; K644-P703 WeakPolarHBondContact CE-O 3.42Å; K644-P703 PolarHBondContact NZ-O 3.49Å
645	Q	90.5	Very high	90.8	Very high	55 Å²	55	36.9 Å²	36.9	26%	0.257	20%	0.2	S	C	.	.			trans	-75.8	141.9	171.3	-65.1	-57.7	-49.6	0	0	109.3	M640 H643 F670	M640-Q645 PolarHBondContact N-O 3.06Å; M640-Q645 HydrophobicContact SD-CB 3.98Å; H643-Q645 HydrophobicContact CB-CG 4.34Å; H643-Q645 PolarHBondContact O-N 3.34Å; Q645-F670 HydrophobicContact CB-CE1 4.34Å; Q645-F670 HydrophobicContact CB-CZ 4.2Å; Q645-F670 HydrophobicContact CG-CE1 4.44Å
646	V	92.7	Very high	90.9	Very high	70 Å²	70	35.1 Å²	35.1	42%	0.424	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.8	176	-177.8	0	0	0	0	108.9	N637 Y638 L639 N676	N637-V646 HydrophobicContact CB-CG1 4.01Å; Y638-V646 WeakPolarHBondContact O-CA 3.34Å; L639-V646 HydrophobicContact CD1-CG2 3.7Å; V646-N676 WeakPolarHBondContact O-CB 3.5Å; V646-N676 PolarHBondContact O-ND2 2.97Å; V646-N676 VanDerWaalsContact O-ND2 3.17Å
647	A	94.2	Very high	90.8	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.017	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	161.6	177.2	0	0	0	0	0	110.5	Y638 M640 F670 N676 I678	Y638-A647 WeakPolarHBondContact CA-O 3.47Å; Y638-A647 WeakPolarHBondContact CB-O 3.42Å; Y638-A647 PolarHBondContact N-O 3.5Å; Y638-A647 PolarHBondContact O-N 3.36Å; M640-A647 HydrophobicContact CE-CB 3.98Å; A647-F670 HydrophobicContact CB-CD2 4.35Å; A647-F670 HydrophobicContact CB-CE2 3.95Å; A647-N676 CarbonylContact C-O 3.54Å; A647-N676 WeakPolarHBondContact CA-O 3.4Å; A647-N676 HydrophobicContact CB-CB 3.99Å; A647-I678 HydrophobicContact CB-CG2 3.97Å
648	Q	94.3	Very high	90.6	Very high	83 Å²	83	36.8 Å²	36.8	39%	0.388	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	161.2	172	-64.6	-176.9	-31.6	0	0	110	N637 N676 Y677 I678	N637-Q648 PolarHBondContact OD1-NE2 3.01Å; Q648-N676 PolarHBondContact N-O 3.35Å; Q648-Y677 HydrophobicContact CB-CD1 3.99Å; Q648-Y677 HydrophobicContact CB-CE1 4.03Å; Q648-Y677 CarbonylContact O-C 3.47Å; Q648-Y677 VanDerWaalsContact O-CA 3.26Å; Q648-Y677 WeakPolarHBondContact O-CA 3.45Å; Q648-I678 WeakPolarHBondContact O-CG1 3.47Å; Q648-I678 PolarHBondContact O-N 3.15Å
649	L	94.2	Very high	90.2	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.042	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	140	167	-59.4	-169.6	0	0	0	109.4	Y638 Y655 S656 M661 Y677 I678 T681	Y638-L649 HydrophobicContact CD2-CD2 4.01Å; Y638-L649 HydrophobicContact CD2-CG 4.13Å; Y638-L649 HydrophobicContact CE1-CD2 4.4Å; Y638-L649 HydrophobicContact CE2-CD1 4.1Å; Y638-L649 HydrophobicContact CE2-CD2 3.7Å; Y638-L649 HydrophobicContact CE2-CG 3.52Å; L649-Y655 VanDerWaalsContact CD1-CB 3.49Å; L649-Y655 HydrophobicContact CD1-CD2 4.16Å; L649-Y655 HydrophobicContact CD1-CG 4.24Å; L649-S656 WeakPolarHBondContact CB-OG 3.43Å; L649-M661 HydrophobicContact CD1-CE 4.48Å; L649-M661 HydrophobicContact CD1-SD 3.48Å; L649-M661 WeakPolarHBondContact CD1-SD 3.35Å; L649-M661 HydrophobicContact CG-SD 4.3Å; L649-Y677 WeakPolarHBondContact O-CD1 3.26Å; L649-I678 HydrophobicContact CD2-CD1 3.59Å; L649-I678 HydrophobicContact CD2-CG1 3.8Å; L649-T681 HydrophobicContact CD2-CG2 4Å
650	H	92.1	Very high	90	Very high	33 Å²	33	51.2 Å²	51.2	15%	0.153	26%	0.259	C	S	.	.			trans	-55.6	141.5	173	-168.7	-98.7	0	0	0	110.7	L652 S653 S656 I678 R679	H650-L652 PolarHBondContact ND1-N 2.91Å; H650-L652 PolarHBondContact O-N 3.47Å; H650-L652 VanDerWaalsContact O-N 3.1Å; H650-S653 VanDerWaalsContact O-CB 3.26Å; H650-S653 WeakPolarHBondContact O-CB 3.41Å; H650-S653 PolarHBondContact O-N 3.41Å; H650-S656 PolarHBondContact O-OG 2.93Å; H650-I678 WeakPolarHBondContact CB-O 3.4Å; H650-I678 PolarHBondContact N-O 3.13Å; H650-R679 HydrophobicContact CB-CG 3.87Å; H650-R679 PolarHBondContact CD2-NE 3.22Å; H650-R679 VanDerWaalsContact NE2-CZ 3.33Å; H650-R679 PolarHBondContact NE2-NH2 3.39Å
651	P	89.1	Confident	89.8	Confident	71 Å²	71	54.5 Å²	54.5	46%	0.461	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.2	-177.1	-28.3	36.2	0	0	0	114.3	S656 Y677	P651-S656 WeakPolarHBondContact O-CB 3.43Å; P651-Y677 HydrophobicContact CG-CE1 4.21Å
652	L	87.4	Confident	89.9	Confident	76 Å²	76	54.7 Å²	54.7	40%	0.398	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.4	177.5	-58.6	-176.9	0	0	0	114.5	W534 H650	W534-L652 HydrophobicContact CE3-CD2 4.41Å; W534-L652 HydrophobicContact CZ3-CD1 4.11Å; W534-L652 HydrophobicContact CZ3-CD2 3.76Å; H650-L652 PolarHBondContact ND1-N 2.91Å; H650-L652 PolarHBondContact O-N 3.47Å; H650-L652 VanDerWaalsContact O-N 3.1Å
653	S	91.6	Very high	90.4	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.021	29%	0.29	C	S	.	.	S	Bend	trans	-63.8	143	174.2	177.7	0	0	0	0	110.6	D543 H650 Y655 S656 V657 T681	D543-S653 WeakPolarHBondContact OD1-CA 3.43Å; D543-S653 PolarHBondContact OD1-OG 3.37Å; D543-S653 WeakPolarHBondContact OD2-CB 3.43Å; D543-S653 PolarHBondContact OD2-OG 2.92Å; H650-S653 VanDerWaalsContact O-CB 3.26Å; H650-S653 WeakPolarHBondContact O-CB 3.41Å; H650-S653 PolarHBondContact O-N 3.41Å; S653-Y655 PolarHBondContact O-N 2.96Å; S653-Y655 VanDerWaalsContact O-N 3.16Å; S653-Y655 PolarHBondContact OG-N 3.22Å; S653-S656 WeakPolarHBondContact O-CB 3.41Å; S653-S656 PolarHBondContact O-N 2.88Å; S653-V657 WeakPolarHBondContact O-CG2 3.2Å; S653-V657 PolarHBondContact O-N 3.42Å; S653-T681 PolarHBondContact OG-OG1 2.82Å
654	G	89.8	Confident	91.1	Very high	5 Å²	5	56.1 Å²	56.1	5%	0.052	28%	0.282	C	S	.	.	H	α-helix	trans	-55.4	-33.1	176.6	0	0	0	0	0	113.2	D543 T658	D543-G654 PolarHBondContact OD1-N 3.43Å; G654-T658 WeakPolarHBondContact O-CB 3.3Å; G654-T658 WeakPolarHBondContact O-CG2 3.5Å; G654-T658 PolarHBondContact O-N 3.39Å; G654-T658 PolarHBondContact O-OG1 2.97Å
655	Y	92.5	Very high	91.8	Very high	10 Å²	10	51.6 Å²	51.6	4%	0.039	26%	0.262	C	S	.	.	H	α-helix	trans	-68	-42.6	176.2	-62.7	-52.9	0	0	0	112.6	P540 E541 G542 L649 S653 T658 K659 K660 P662 T681 E683	P540-Y655 WeakPolarHBondContact O-CE1 3.43Å; E541-Y655 PolarHBondContact O-OH 3.31Å; E541-Y655 VanDerWaalsContact O-OH 3.06Å; G542-Y655 VanDerWaalsContact CA-CZ 3.49Å; G542-Y655 WeakPolarHBondContact CA-OH 3.4Å; G542-Y655 PolarHBondContact N-OH 3.46Å; L649-Y655 VanDerWaalsContact CD1-CB 3.49Å; L649-Y655 HydrophobicContact CD1-CD2 4.16Å; L649-Y655 HydrophobicContact CD1-CG 4.24Å; S653-Y655 PolarHBondContact O-N 2.96Å; S653-Y655 VanDerWaalsContact O-N 3.16Å; S653-Y655 PolarHBondContact OG-N 3.22Å; Y655-T658 PolarHBondContact O-N 3.48Å; Y655-T658 PolarHBondContact O-OG1 3.27Å; Y655-K659 WeakPolarHBondContact O-CA 3.41Å; Y655-K659 PolarHBondContact O-N 3.17Å; Y655-K660 WeakPolarHBondContact CB-O 3.43Å; Y655-K660 VanDerWaalsContact CD1-O 3.23Å; Y655-K660 WeakPolarHBondContact CD1-O 3.28Å; Y655-K660 PolarHBondContact O-N 3Å; Y655-K660 VanDerWaalsContact O-N 3.17Å; Y655-P662 HydrophobicContact CD1-CG 4.16Å; Y655-P662 HydrophobicContact CD2-CG 4.16Å; Y655-P662 HydrophobicContact CE1-CG 4.07Å; Y655-P662 HydrophobicContact CE2-CG 4.06Å; Y655-P662 HydrophobicContact CG-CG 4.2Å; Y655-T681 WeakPolarHBondContact CD2-OG1 3.45Å; Y655-E683 VanDerWaalsContact OH-CB 3.3Å; Y655-E683 WeakPolarHBondContact OH-CB 3.48Å; Y655-E683 PolarHBondContact OH-N 2.93Å
656	S	89.4	Confident	92.1	Very high	26 Å²	26	49 Å²	49	18%	0.182	25%	0.25	C	S	.	.	H	α-helix	trans	-62.5	-44.6	174.5	-60.5	0	0	0	0	111.6	L649 H650 P651 S653 K659	L649-S656 WeakPolarHBondContact CB-OG 3.43Å; H650-S656 PolarHBondContact O-OG 2.93Å; P651-S656 WeakPolarHBondContact O-CB 3.43Å; S653-S656 WeakPolarHBondContact O-CB 3.41Å; S653-S656 PolarHBondContact O-N 2.88Å; S656-K659 PolarHBondContact O-N 2.92Å
657	V	87.9	Confident	92.3	Very high	34 Å²	34	46 Å²	46	21%	0.206	23%	0.231	C	C	.	.	H	α-helix	trans	-66.6	-39.2	-179.4	176.5	0	0	0	0	111.9	L531 K535 L538 S653	L531-V657 HydrophobicContact CD1-CG1 4.29Å; L531-V657 HydrophobicContact CD1-CG2 3.98Å; L531-V657 HydrophobicContact CD2-CG1 4.44Å; L531-V657 HydrophobicContact CG-CG1 4.37Å; K535-V657 HydrophobicContact CD-CG1 4.39Å; K535-V657 HydrophobicContact CG-CG1 3.95Å; L538-V657 HydrophobicContact CD1-CB 4.22Å; L538-V657 HydrophobicContact CD1-CG1 3.98Å; S653-V657 WeakPolarHBondContact O-CG2 3.2Å; S653-V657 PolarHBondContact O-N 3.42Å
658	T	87.9	Confident	92.3	Very high	70 Å²	70	46.9 Å²	46.9	43%	0.429	24%	0.235	S	C	.	.	H	α-helix	trans	-88.6	-8.1	-179.4	59.5	0	0	0	0	113.9	L538 G654 Y655 K660	L538-T658 HydrophobicContact CD1-CG2 4.18Å; G654-T658 WeakPolarHBondContact O-CB 3.3Å; G654-T658 WeakPolarHBondContact O-CG2 3.5Å; G654-T658 PolarHBondContact O-N 3.39Å; G654-T658 PolarHBondContact O-OG1 2.97Å; Y655-T658 PolarHBondContact O-N 3.48Å; Y655-T658 PolarHBondContact O-OG1 3.27Å; T658-K660 PolarHBondContact O-N 2.93Å
659	K	87.6	Confident	92.2	Very high	185 Å²	185	47 Å²	47	80%	0.804	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	33	-174.2	-55.6	-175.7	178.9	-176.4	0	113.3	Y655 S656	Y655-K659 WeakPolarHBondContact O-CA 3.41Å; Y655-K659 PolarHBondContact O-N 3.17Å; S656-K659 PolarHBondContact O-N 2.92Å
660	K	89.7	Confident	92.1	Very high	157 Å²	157	47.8 Å²	47.8	68%	0.683	24%	0.239	S	C	*	.			trans	-111.8	96.3	174.1	-68.4	-176.5	179.9	-179	0	107.8	Y655 T658 P662	Y655-K660 WeakPolarHBondContact CB-O 3.43Å; Y655-K660 VanDerWaalsContact CD1-O 3.23Å; Y655-K660 WeakPolarHBondContact CD1-O 3.28Å; Y655-K660 PolarHBondContact O-N 3Å; Y655-K660 VanDerWaalsContact O-N 3.17Å; T658-K660 PolarHBondContact O-N 2.93Å; K660-P662 VanDerWaalsContact O-CD 3.26Å; K660-P662 WeakPolarHBondContact O-CD 3.3Å
661	M	91.3	Very high	91.8	Very high	83 Å²	83	48 Å²	48	41%	0.409	24%	0.244	S	C	.	.			trans	-93.2	108.8	-176.5	-60.7	-56.8	-174.7	0	0	109.5	L649	L649-M661 HydrophobicContact CD1-CE 4.48Å; L649-M661 HydrophobicContact CD1-SD 3.48Å; L649-M661 WeakPolarHBondContact CD1-SD 3.35Å; L649-M661 HydrophobicContact CG-SD 4.3Å
662	P	95.1	Very high	91.7	Very high	12 Å²	12	46.9 Å²	46.9	8%	0.078	23%	0.234	C	C	.	.			trans	-69	144.6	173.2	28.4	-34.9	0	0	0	111.1	Y638 Y655 K660 W664 V665 E683	Y638-P662 VanDerWaalsContact CE1-O 3.31Å; Y638-P662 WeakPolarHBondContact CE1-O 3.5Å; Y638-P662 PolarHBondContact OH-O 3.17Å; Y655-P662 HydrophobicContact CD1-CG 4.16Å; Y655-P662 HydrophobicContact CD2-CG 4.16Å; Y655-P662 HydrophobicContact CE1-CG 4.07Å; Y655-P662 HydrophobicContact CE2-CG 4.06Å; Y655-P662 HydrophobicContact CG-CG 4.2Å; K660-P662 VanDerWaalsContact O-CD 3.26Å; K660-P662 WeakPolarHBondContact O-CD 3.3Å; P662-W664 VanDerWaalsContact C-N 3.33Å; P662-W664 PolarHBondContact O-N 2.91Å; P662-V665 HydrophobicContact CB-CG1 4.3Å; P662-V665 HydrophobicContact CG-CG1 3.45Å; P662-V665 VanDerWaalsContact CG-CG1 3.45Å; P662-E683 HydrophobicContact CB-CB 3.78Å; P662-E683 HydrophobicContact CB-CG 3.64Å; P662-E683 HydrophobicContact CG-CB 4.09Å; P662-E683 HydrophobicContact CG-CG 4.48Å
663	E	95.6	Very high	91.5	Very high	91 Å²	91	45.4 Å²	45.4	43%	0.425	23%	0.23	S	C	.	.	S	Bend	trans	-65.8	-37.5	-179.2	-173.2	-172	159.9	0	0	111.9	R630 D631	R630-E663 CarbonylContact C-O 3.54Å; R630-E663 WeakPolarHBondContact CA-O 3.32Å; R630-E663 HydrophobicContact CG-CG 4.06Å; R630-E663 WeakPolarHBondContact CG-O 3.26Å; R630-E663 IonicContact CZ-OE1 2.81Å; R630-E663 VanDerWaalsContact CZ-OE1 3.23Å; R630-E663 IonicContact NE-OE1 3.49Å; R630-E663 PolarHBondContact NE-OE1 2.67Å; R630-E663 IonicContact NH2-OE1 3.63Å; R630-E663 PolarHBondContact NH2-OE1 3.2Å; D631-E663 PolarHBondContact N-O 3.24Å
664	W	97.1	Very high	90.9	Very high	9 Å²	9	53.5 Å²	53.5	3%	0.034	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.8	-176.5	-66.4	83.5	0	0	0	110.5	I628 R630 L641 P662 I684 P686 I709 L710	I628-W664 HydrophobicContact CG2-CE3 4.12Å; R630-W664 HydrophobicContact CB-CD2 4.13Å; R630-W664 HydrophobicContact CB-CE3 4.01Å; R630-W664 HydrophobicContact CB-CH2 4.42Å; R630-W664 HydrophobicContact CB-CZ3 4.17Å; R630-W664 HydrophobicContact CG-CD2 3.86Å; R630-W664 HydrophobicContact CG-CE3 4.23Å; R630-W664 HydrophobicContact CG-CG 4.36Å; R630-W664 HydrophobicContact CG-CH2 4.32Å; R630-W664 HydrophobicContact CG-CZ2 3.93Å; R630-W664 HydrophobicContact CG-CZ3 4.45Å; L641-W664 HydrophobicContact CD1-CZ3 4.23Å; L641-W664 HydrophobicContact CD2-CZ3 4.01Å; P662-W664 VanDerWaalsContact C-N 3.33Å; P662-W664 PolarHBondContact O-N 2.91Å; W664-I684 HydrophobicContact CB-CD1 4.16Å; W664-I684 HydrophobicContact CB-CG1 4.09Å; W664-I684 VanDerWaalsContact CB-O 3.28Å; W664-I684 WeakPolarHBondContact CB-O 3.44Å; W664-I684 PolarHBondContact O-N 3.07Å; W664-P686 HydrophobicContact CD2-CG 4.09Å; W664-P686 HydrophobicContact CG-CG 4.13Å; W664-P686 HydrophobicContact CZ2-CG 4.21Å; W664-I709 HydrophobicContact CZ2-CG2 4.21Å; W664-L710 HydrophobicContact CH2-CD1 3.96Å; W664-L710 HydrophobicContact CH2-CD2 4.01Å; W664-L710 HydrophobicContact CH2-CG 3.77Å; W664-L710 HydrophobicContact CZ3-CD1 3.98Å; W664-L710 HydrophobicContact CZ3-CD2 4.19Å; W664-L710 HydrophobicContact CZ3-CG 4.18Å
665	V	97.4	Very high	90.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.2	-179.2	-64.4	0	0	0	0	112	I628 A629 Y638 P662 I678 S682	I628-V665 WeakPolarHBondContact CA-O 3.2Å; A629-V665 HydrophobicContact CB-CG2 4.14Å; A629-V665 PolarHBondContact N-O 2.78Å; A629-V665 PolarHBondContact O-N 3.46Å; Y638-V665 HydrophobicContact CD1-CG2 3.51Å; Y638-V665 HydrophobicContact CE1-CB 4.33Å; Y638-V665 HydrophobicContact CE1-CG1 3.79Å; Y638-V665 HydrophobicContact CE1-CG2 3.6Å; Y638-V665 HydrophobicContact CG-CG2 4.41Å; P662-V665 HydrophobicContact CB-CG1 4.3Å; P662-V665 HydrophobicContact CG-CG1 3.45Å; P662-V665 VanDerWaalsContact CG-CG1 3.45Å; V665-I678 HydrophobicContact CG2-CD1 3.69Å; V665-S682 WeakPolarHBondContact CA-O 3.41Å
666	L	97.4	Very high	90.6	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	137	157.9	-176	150.3	0	0	0	108.4	L620 L621 Y624 I628 T681 S682 I684	L620-L666 HydrophobicContact CB-CD1 4.26Å; L621-L666 HydrophobicContact CD2-CD1 3.73Å; L621-L666 HydrophobicContact CG-CD1 3.94Å; Y624-L666 HydrophobicContact CG-CD2 4.45Å; I628-L666 HydrophobicContact CD1-CB 3.73Å; I628-L666 HydrophobicContact CD1-CD1 4.07Å; I628-L666 HydrophobicContact CD1-CG 3.97Å; L666-T681 CarbonylContact O-C 3.59Å; L666-T681 VanDerWaalsContact O-CA 3.22Å; L666-T681 WeakPolarHBondContact O-CA 3.41Å; L666-S682 PolarHBondContact N-O 3.23Å; L666-S682 PolarHBondContact O-N 3.06Å; L666-I684 HydrophobicContact CB-CG2 3.86Å
667	F	96.4	Very high	90.7	Very high	7 Å²	7	60.4 Å²	60.4	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	154.2	174.9	64.2	-91.7	0	0	0	111.2	Q627 A629 M640 F670 I678 I680 T681	Q627-F667 HydrophobicContact CB-CD1 4.33Å; Q627-F667 HydrophobicContact CB-CD2 4.01Å; Q627-F667 HydrophobicContact CB-CE1 4.08Å; Q627-F667 HydrophobicContact CB-CE2 3.74Å; Q627-F667 HydrophobicContact CB-CG 4.3Å; Q627-F667 HydrophobicContact CB-CZ 3.78Å; Q627-F667 WeakPolarHBondContact CB-O 3.48Å; Q627-F667 HydrophobicContact CG-CD2 4.49Å; Q627-F667 HydrophobicContact CG-CE2 3.94Å; Q627-F667 HydrophobicContact CG-CZ 4.21Å; Q627-F667 WeakPolarHBondContact O-CD1 3.31Å; Q627-F667 WeakPolarHBondContact O-CE1 3.22Å; Q627-F667 PolarHBondContact O-N 2.96Å; Q627-F667 PolarHBondContact OE1-O 3.03Å; A629-F667 HydrophobicContact CB-CD1 4.22Å; A629-F667 HydrophobicContact CB-CE1 4.1Å; M640-F667 HydrophobicContact CE-CE1 4.21Å; M640-F667 HydrophobicContact CE-CE2 4.33Å; M640-F667 HydrophobicContact CE-CZ 3.83Å; M640-F667 HydrophobicContact CG-CE1 4.1Å; M640-F667 HydrophobicContact CG-CZ 4.19Å; M640-F667 HydrophobicContact SD-CE1 4.3Å; M640-F667 HydrophobicContact SD-CZ 3.8Å; F667-F670 HydrophobicContact CD2-CB 4.14Å; F667-F670 HydrophobicContact CE2-CB 3.6Å; F667-F670 HydrophobicContact CZ-CB 4.39Å; F667-I678 HydrophobicContact CB-CB 3.84Å; F667-I678 HydrophobicContact CB-CD1 4.28Å; F667-I678 HydrophobicContact CB-CG2 4.22Å; F667-I678 HydrophobicContact CD1-CB 4.37Å; F667-I678 HydrophobicContact CD1-CD1 4.27Å; F667-I678 HydrophobicContact CD1-CG2 3.89Å; F667-I678 HydrophobicContact CD2-CB 4.31Å; F667-I678 HydrophobicContact CD2-CG2 3.87Å; F667-I678 HydrophobicContact CE1-CG2 4.19Å; F667-I678 HydrophobicContact CE2-CG2 4.18Å; F667-I678 HydrophobicContact CG-CB 3.93Å; F667-I678 HydrophobicContact CG-CD1 4.49Å; F667-I678 HydrophobicContact CG-CG2 3.72Å; F667-I678 HydrophobicContact CZ-CG2 4.33Å; F667-I680 WeakPolarHBondContact CA-O 3.16Å; F667-T681 HydrophobicContact CB-CG2 3.91Å
668	H	94.8	Very high	91.1	Very high	20 Å²	20	58.8 Å²	58.8	9%	0.093	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-34.4	179.3	-164.8	81.5	0	0	0	112.9	V513 Y624 Q627 R679 I680	V513-H668 WeakPolarHBondContact CB-NE2 3.35Å; V513-H668 VanDerWaalsContact CG2-CE1 3.5Å; V513-H668 WeakPolarHBondContact CG2-CE1 3.41Å; V513-H668 WeakPolarHBondContact CG2-NE2 3.18Å; Y624-H668 AromaticContact CE1-CE1 3.95Å; Y624-H668 AromaticContact CE1-ND1 3.53Å; Y624-H668 AromaticContact CE2-ND1 3.97Å; Y624-H668 AromaticContact CZ-CE1 3.4Å; Y624-H668 VanDerWaalsContact CZ-CE1 3.4Å; Y624-H668 AromaticContact CZ-ND1 3.32Å; Y624-H668 VanDerWaalsContact CZ-ND1 3.32Å; Y624-H668 PolarHBondContact OH-CE1 3.38Å; Y624-H668 PolarHBondContact OH-ND1 3.32Å; Q627-H668 PolarHBondContact OE1-O 3.14Å; Q627-H668 VanDerWaalsContact OE1-O 3.05Å; H668-R679 PolarHBondContact N-O 2.97Å; H668-I680 HydrophobicContact CB-CB 3.8Å; H668-I680 HydrophobicContact CB-CD1 4.38Å; H668-I680 HydrophobicContact CB-CG2 4.23Å; H668-I680 PolarHBondContact N-O 3.35Å
669	Q	91.8	Very high	91.4	Very high	86 Å²	86	60.3 Å²	60.3	40%	0.402	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.9	-175.4	-62.7	177	-4.4	0	0	112	R679	Q669-R679 HydrophobicContact CB-CB 4.21Å; Q669-R679 PolarHBondContact N-O 3.44Å; Q669-R679 PolarHBondContact O-N 2.86Å
670	F	92	Very high	91.8	Very high	23 Å²	23	53 Å²	53	10%	0.101	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	136.5	169.4	174.8	-117.6	0	0	0	110.3	A372 M640 Q645 A647 F667 I672 N676 I678	A372-F670 HydrophobicContact CB-CD1 3.57Å; A372-F670 HydrophobicContact CB-CE1 3.66Å; M640-F670 HydrophobicContact CE-CB 3.96Å; M640-F670 HydrophobicContact CE-CD1 3.58Å; M640-F670 HydrophobicContact CE-CD2 3.24Å; M640-F670 HydrophobicContact CE-CE1 3.8Å; M640-F670 HydrophobicContact CE-CE2 3.48Å; M640-F670 VanDerWaalsContact CE-CE2 3.48Å; M640-F670 HydrophobicContact CE-CG 3.29Å; M640-F670 HydrophobicContact CE-CZ 3.75Å; M640-F670 HydrophobicContact SD-CD1 3.87Å; M640-F670 HydrophobicContact SD-CE1 3.97Å; M640-F670 HydrophobicContact SD-CG 4.17Å; M640-F670 HydrophobicContact SD-CZ 4.35Å; Q645-F670 HydrophobicContact CB-CE1 4.34Å; Q645-F670 HydrophobicContact CB-CZ 4.2Å; Q645-F670 HydrophobicContact CG-CE1 4.44Å; A647-F670 HydrophobicContact CB-CD2 4.35Å; A647-F670 HydrophobicContact CB-CE2 3.95Å; F667-F670 HydrophobicContact CD2-CB 4.14Å; F667-F670 HydrophobicContact CE2-CB 3.6Å; F667-F670 HydrophobicContact CZ-CB 4.39Å; F670-I672 HydrophobicContact CE1-CG1 3.99Å; F670-I672 HydrophobicContact CZ-CG1 3.83Å; F670-N676 HydrophobicContact CE2-CB 4.08Å; F670-I678 HydrophobicContact CB-CG2 4.32Å; F670-I678 HydrophobicContact CD2-CG2 4.04Å; F670-I678 HydrophobicContact CG-CG2 4.5Å
671	S	85.7	Confident	92.2	Very high	39 Å²	39	45.6 Å²	45.6	27%	0.273	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	142.4	169	58.5	0	0	0	0	109.7	N373 S673	N373-S671 CarbonylContact O-C 3.59Å; N373-S671 WeakPolarHBondContact O-CA 3.48Å; S671-S673 PolarHBondContact O-N 3.17Å
672	I	87.4	Confident	92.4	Very high	47 Å²	47	41.7 Å²	41.7	24%	0.241	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.9	173.2	-63	-179.7	0	0	0	109	I370 N373 L375 F670	I370-I672 HydrophobicContact CD1-CD1 3.25Å; I370-I672 HydrophobicContact CD1-CG1 4.4Å; N373-I672 PolarHBondContact O-N 2.9Å; L375-I672 PolarHBondContact N-O 3.02Å; F670-I672 HydrophobicContact CE1-CG1 3.99Å; F670-I672 HydrophobicContact CZ-CG1 3.83Å
673	S	83.3	Confident	92.5	Very high	44 Å²	44	45 Å²	45	31%	0.308	22%	0.219	S	C	.	.	S	Bend	trans	-143.3	-178	176	43.3	0	0	0	0	109.9	S671 N675 N676	S671-S673 PolarHBondContact O-N 3.17Å; S673-N675 PolarHBondContact O-N 3.46Å; S673-N675 PolarHBondContact OG-O 3.28Å; S673-N676 PolarHBondContact N-OD1 3.25Å; S673-N676 PolarHBondContact O-OD1 2.79Å
674	E	79.4	Confident	92.5	Very high	173 Å²	173	41 Å²	41	81%	0.808	20%	0.2	S	C	*	.	S	Bend	trans	-52	-40.2	176.7	-71.4	170.9	-156.7	0	0	111.9	R362	R362-E674 IonicContact NH2-OE1 3.43Å
675	N	84.1	Confident	92.4	Very high	93 Å²	93	42.8 Å²	42.8	50%	0.497	21%	0.214	S	C	.	.	S	Bend	trans	-113.9	123.3	165.7	-65.3	-46.6	0	0	0	109.1	S673 Y677	S673-N675 PolarHBondContact O-N 3.46Å; S673-N675 PolarHBondContact OG-O 3.28Å; N675-Y677 HydrophobicContact CB-CD2 4.02Å; N675-Y677 HydrophobicContact CB-CE2 3.34Å; N675-Y677 PolarHBondContact O-N 3.07Å
676	N	90.8	Very high	92.4	Very high	42 Å²	42	43.7 Å²	43.7	23%	0.225	22%	0.22	C	C	.	.			trans	-80.2	113.7	177	-72.9	-18.5	0	0	0	109.3	V646 A647 Q648 F670 S673	V646-N676 WeakPolarHBondContact O-CB 3.5Å; V646-N676 PolarHBondContact O-ND2 2.97Å; V646-N676 VanDerWaalsContact O-ND2 3.17Å; A647-N676 CarbonylContact C-O 3.54Å; A647-N676 WeakPolarHBondContact CA-O 3.4Å; A647-N676 HydrophobicContact CB-CB 3.99Å; Q648-N676 PolarHBondContact N-O 3.35Å; F670-N676 HydrophobicContact CE2-CB 4.08Å; S673-N676 PolarHBondContact N-OD1 3.25Å; S673-N676 PolarHBondContact O-OD1 2.79Å
677	Y	92.8	Very high	92.3	Very high	52 Å²	52	47.9 Å²	47.9	20%	0.204	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.1	175.6	-65.4	-66.1	0	0	0	111.4	Q648 L649 P651 N675	Q648-Y677 HydrophobicContact CB-CD1 3.99Å; Q648-Y677 HydrophobicContact CB-CE1 4.03Å; Q648-Y677 CarbonylContact O-C 3.47Å; Q648-Y677 VanDerWaalsContact O-CA 3.26Å; Q648-Y677 WeakPolarHBondContact O-CA 3.45Å; L649-Y677 WeakPolarHBondContact O-CD1 3.26Å; P651-Y677 HydrophobicContact CG-CE1 4.21Å; N675-Y677 HydrophobicContact CB-CD2 4.02Å; N675-Y677 HydrophobicContact CB-CE2 3.34Å; N675-Y677 PolarHBondContact O-N 3.07Å
678	I	94.9	Very high	92.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	136.2	160.5	51.3	170.8	0	0	0	109.6	A629 Y638 M640 A647 Q648 L649 H650 V665 F667 F670 T681	A629-I678 HydrophobicContact CB-CD1 4.29Å; Y638-I678 HydrophobicContact CG-CD1 4.24Å; M640-I678 HydrophobicContact CE-CG2 3.4Å; M640-I678 VanDerWaalsContact CE-CG2 3.4Å; A647-I678 HydrophobicContact CB-CG2 3.97Å; Q648-I678 WeakPolarHBondContact O-CG1 3.47Å; Q648-I678 PolarHBondContact O-N 3.15Å; L649-I678 HydrophobicContact CD2-CD1 3.59Å; L649-I678 HydrophobicContact CD2-CG1 3.8Å; H650-I678 WeakPolarHBondContact CB-O 3.4Å; H650-I678 PolarHBondContact N-O 3.13Å; V665-I678 HydrophobicContact CG2-CD1 3.69Å; F667-I678 HydrophobicContact CB-CB 3.84Å; F667-I678 HydrophobicContact CB-CD1 4.28Å; F667-I678 HydrophobicContact CB-CG2 4.22Å; F667-I678 HydrophobicContact CD1-CB 4.37Å; F667-I678 HydrophobicContact CD1-CD1 4.27Å; F667-I678 HydrophobicContact CD1-CG2 3.89Å; F667-I678 HydrophobicContact CD2-CB 4.31Å; F667-I678 HydrophobicContact CD2-CG2 3.87Å; F667-I678 HydrophobicContact CE1-CG2 4.19Å; F667-I678 HydrophobicContact CE2-CG2 4.18Å; F667-I678 HydrophobicContact CG-CB 3.93Å; F667-I678 HydrophobicContact CG-CD1 4.49Å; F667-I678 HydrophobicContact CG-CG2 3.72Å; F667-I678 HydrophobicContact CZ-CG2 4.33Å; F670-I678 HydrophobicContact CB-CG2 4.32Å; F670-I678 HydrophobicContact CD2-CG2 4.04Å; F670-I678 HydrophobicContact CG-CG2 4.5Å; I678-T681 HydrophobicContact CB-CG2 4.35Å; I678-T681 HydrophobicContact CD1-CG2 4.08Å; I678-T681 HydrophobicContact CG1-CG2 4.09Å
679	R	94.7	Very high	92.3	Very high	101 Å²	101	47 Å²	47	38%	0.381	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	150.9	-175.9	-60.4	175.8	177.6	-132.4	-3.3	110.7	H650 H668 Q669	H650-R679 HydrophobicContact CB-CG 3.87Å; H650-R679 PolarHBondContact CD2-NE 3.22Å; H650-R679 VanDerWaalsContact NE2-CZ 3.33Å; H650-R679 PolarHBondContact NE2-NH2 3.39Å; H668-R679 PolarHBondContact N-O 2.97Å; Q669-R679 HydrophobicContact CB-CB 4.21Å; Q669-R679 PolarHBondContact N-O 3.44Å; Q669-R679 PolarHBondContact O-N 2.86Å
680	I	96.3	Very high	92.4	Very high	33 Å²	33	43.4 Å²	43.4	17%	0.169	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.4	81.7	-177.5	-44.3	177.1	0	0	0	109.3	V513 D543 H544 L547 F667 H668	V513-I680 HydrophobicContact CB-CD1 4.45Å; V513-I680 HydrophobicContact CG1-CD1 3.9Å; V513-I680 HydrophobicContact CG1-CG2 4.45Å; D543-I680 HydrophobicContact CB-CG2 4.14Å; H544-I680 PolarHBondContact CE1-O 3.15Å; L547-I680 HydrophobicContact CD1-CD1 4.49Å; L547-I680 HydrophobicContact CD1-CG2 4.04Å; F667-I680 WeakPolarHBondContact CA-O 3.16Å; H668-I680 HydrophobicContact CB-CB 3.8Å; H668-I680 HydrophobicContact CB-CD1 4.38Å; H668-I680 HydrophobicContact CB-CG2 4.23Å; H668-I680 PolarHBondContact N-O 3.35Å
681	T	97.3	Very high	92.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.6	-169.4	61.4	0	0	0	0	112.2	G542 D543 L649 S653 Y655 L666 F667 I678	G542-T681 CarbonylContact C-O 3.58Å; G542-T681 WeakPolarHBondContact CA-O 3.26Å; D543-T681 PolarHBondContact N-O 3.4Å; D543-T681 PolarHBondContact OD2-N 2.62Å; D543-T681 PolarHBondContact OD2-OG1 2.94Å; L649-T681 HydrophobicContact CD2-CG2 4Å; S653-T681 PolarHBondContact OG-OG1 2.82Å; Y655-T681 WeakPolarHBondContact CD2-OG1 3.45Å; L666-T681 CarbonylContact O-C 3.59Å; L666-T681 VanDerWaalsContact O-CA 3.22Å; L666-T681 WeakPolarHBondContact O-CA 3.41Å; F667-T681 HydrophobicContact CB-CG2 3.91Å; I678-T681 HydrophobicContact CB-CG2 4.35Å; I678-T681 HydrophobicContact CD1-CG2 4.08Å; I678-T681 HydrophobicContact CG1-CG2 4.09Å
682	S	97.3	Very high	92.9	Very high	2 Å²	2	48 Å²	48	1%	0.014	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137.7	174.1	-79.3	0	0	0	0	110.8	E541 H544 V665 L666	E541-S682 WeakPolarHBondContact O-CB 3.5Å; E541-S682 PolarHBondContact O-OG 3.02Å; H544-S682 PolarHBondContact ND1-OG 2.74Å; V665-S682 WeakPolarHBondContact CA-O 3.41Å; L666-S682 PolarHBondContact N-O 3.23Å; L666-S682 PolarHBondContact O-N 3.06Å
683	E	96.4	Very high	93.2	Very high	82 Å²	82	46.1 Å²	46.1	38%	0.383	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	133	176.1	175.7	177.3	-163.7	0	0	110.5	K617 Y655 P662	K617-E683 WeakPolarHBondContact CD-O 3.29Å; K617-E683 WeakPolarHBondContact CE-O 3.31Å; K617-E683 PolarHBondContact NZ-O 3.24Å; Y655-E683 VanDerWaalsContact OH-CB 3.3Å; Y655-E683 WeakPolarHBondContact OH-CB 3.48Å; Y655-E683 PolarHBondContact OH-N 2.93Å; P662-E683 HydrophobicContact CB-CB 3.78Å; P662-E683 HydrophobicContact CB-CG 3.64Å; P662-E683 HydrophobicContact CG-CB 4.09Å; P662-E683 HydrophobicContact CG-CG 4.48Å
684	I	96	Very high	93.7	Very high	7 Å²	7	46 Å²	46	4%	0.036	23%	0.227	C	C	.	.			trans	-128.3	156.6	173.1	58.6	121.2	0	0	0	109.7	L621 I628 W664 L666 F689	L621-I684 HydrophobicContact CD1-CB 4.45Å; L621-I684 HydrophobicContact CD1-CG2 4.07Å; L621-I684 HydrophobicContact CD2-CD1 4.43Å; L621-I684 HydrophobicContact CD2-CG2 4.21Å; L621-I684 HydrophobicContact CG-CG2 4.19Å; I628-I684 HydrophobicContact CD1-CD1 3.99Å; I628-I684 HydrophobicContact CD1-CG1 4.41Å; I628-I684 HydrophobicContact CG2-CD1 3.99Å; W664-I684 HydrophobicContact CB-CD1 4.16Å; W664-I684 HydrophobicContact CB-CG1 4.09Å; W664-I684 VanDerWaalsContact CB-O 3.28Å; W664-I684 WeakPolarHBondContact CB-O 3.44Å; W664-I684 PolarHBondContact O-N 3.07Å; L666-I684 HydrophobicContact CB-CG2 3.86Å; I684-F689 HydrophobicContact CD1-CB 4.12Å
685	S	95.3	Very high	94.3	Very high	46 Å²	46	42.9 Å²	42.9	32%	0.322	21%	0.212	S	C	.	.			trans	-101.2	145.3	173.2	59.5	0	0	0	0	110.6	E687 L688 F689	S685-E687 WeakPolarHBondContact CB-OE2 3.41Å; S685-E687 PolarHBondContact O-N 3.31Å; S685-L688 PolarHBondContact O-N 3.22Å; S685-L688 VanDerWaalsContact O-N 3.13Å; S685-L688 WeakPolarHBondContact OG-CB 3.43Å; S685-L688 PolarHBondContact OG-N 3Å; S685-F689 PolarHBondContact O-N 3.17Å
686	P	95.6	Very high	94.6	Very high	19 Å²	19	44.8 Å²	44.8	12%	0.123	21%	0.213	C	C	.	.	H	α-helix	trans	-50.5	-40.6	173.2	-30	37.9	0	0	0	113.9	W664 L688 F689 M690 L710 V713	W664-P686 HydrophobicContact CD2-CG 4.09Å; W664-P686 HydrophobicContact CG-CG 4.13Å; W664-P686 HydrophobicContact CZ2-CG 4.21Å; P686-L688 PolarHBondContact O-N 2.9Å; P686-F689 PolarHBondContact O-N 3.48Å; P686-M690 WeakPolarHBondContact O-CG 3.39Å; P686-M690 PolarHBondContact O-N 3.18Å; P686-L710 HydrophobicContact CB-CD2 3.88Å; P686-V713 HydrophobicContact CB-CG2 4.04Å
687	E	95.4	Very high	94.7	Very high	90 Å²	90	42.9 Å²	42.9	42%	0.421	20%	0.203	S	C	.	.	H	α-helix	trans	-62.4	-45.8	-179.9	-61.3	74.2	-166	0	0	111.3	S685 M690 Q691 V713	S685-E687 WeakPolarHBondContact CB-OE2 3.41Å; S685-E687 PolarHBondContact O-N 3.31Å; E687-M690 PolarHBondContact O-N 2.83Å; E687-Q691 VanDerWaalsContact O-CG 3.29Å; E687-Q691 WeakPolarHBondContact O-CG 3.46Å; E687-Q691 PolarHBondContact O-N 2.93Å; E687-V713 HydrophobicContact CB-CG1 4.32Å; E687-V713 HydrophobicContact CG-CG1 3.97Å
688	L	95.1	Very high	94.8	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	19%	0.194	C	C	.	.	H	α-helix	trans	-64.7	-41	177.9	-171.7	64.6	0	0	0	111.9	L614 K617 K618 L621 S685 P686 Q691	L614-L688 HydrophobicContact CD1-CD1 3.81Å; L614-L688 HydrophobicContact CD1-CD2 3.93Å; K617-L688 HydrophobicContact CB-CD2 3.79Å; K617-L688 HydrophobicContact CD-CD2 4.47Å; K618-L688 HydrophobicContact CD-CD1 4.46Å; K618-L688 HydrophobicContact CG-CD1 3.65Å; L621-L688 HydrophobicContact CD1-CB 4.3Å; L621-L688 HydrophobicContact CD1-CD2 3.61Å; L621-L688 HydrophobicContact CD1-CG 3.59Å; S685-L688 PolarHBondContact O-N 3.22Å; S685-L688 VanDerWaalsContact O-N 3.13Å; S685-L688 WeakPolarHBondContact OG-CB 3.43Å; S685-L688 PolarHBondContact OG-N 3Å; P686-L688 PolarHBondContact O-N 2.9Å; L688-Q691 PolarHBondContact O-N 3.3Å
689	F	96.1	Very high	94.7	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-60.2	-47.9	174.6	175.5	-94.5	0	0	0	110.9	L621 F625 I628 L641 I684 S685 P686 Q691 L692 V693 Y697 F698 L710	L621-F689 HydrophobicContact CD2-CD2 4.04Å; F625-F689 HydrophobicContact CB-CE2 4.03Å; F625-F689 WeakPolarHBondContact O-CE2 3.25Å; I628-F689 HydrophobicContact CB-CE2 4.47Å; I628-F689 HydrophobicContact CD1-CD2 4.34Å; I628-F689 HydrophobicContact CG1-CD2 3.8Å; I628-F689 HydrophobicContact CG1-CE2 3.61Å; L641-F689 HydrophobicContact CD1-CE1 4.49Å; L641-F689 HydrophobicContact CD1-CZ 4.17Å; I684-F689 HydrophobicContact CD1-CB 4.12Å; S685-F689 PolarHBondContact O-N 3.17Å; P686-F689 PolarHBondContact O-N 3.48Å; F689-Q691 VanDerWaalsContact C-N 3.26Å; F689-Q691 PolarHBondContact O-N 3.43Å; F689-L692 PolarHBondContact O-N 2.87Å; F689-L692 VanDerWaalsContact O-N 3.14Å; F689-V693 HydrophobicContact CD1-CB 4.29Å; F689-V693 HydrophobicContact CD1-CG1 4.24Å; F689-V693 HydrophobicContact CE1-CB 3.9Å; F689-V693 HydrophobicContact CE1-CG1 3.95Å; F689-V693 HydrophobicContact CE1-CG2 3.9Å; F689-V693 HydrophobicContact CE2-CB 4.23Å; F689-V693 HydrophobicContact CE2-CG2 4.11Å; F689-V693 HydrophobicContact CZ-CB 3.88Å; F689-V693 HydrophobicContact CZ-CG1 4.42Å; F689-V693 HydrophobicContact CZ-CG2 3.54Å; F689-V693 WeakPolarHBondContact O-CB 3.33Å; F689-V693 WeakPolarHBondContact O-CG1 3.46Å; F689-V693 PolarHBondContact O-N 2.9Å; F689-Y697 HydrophobicContact CZ-CE1 4.28Å; F689-F698 HydrophobicContact CE1-CD2 4.39Å; F689-L710 HydrophobicContact CD1-CD1 4.03Å; F689-L710 HydrophobicContact CD1-CD2 3.82Å; F689-L710 HydrophobicContact CE1-CD1 3.81Å; F689-L710 HydrophobicContact CE1-CD2 4.43Å
690	M	95.6	Very high	94.6	Very high	11 Å²	11	43.2 Å²	43.2	5%	0.054	22%	0.221	C	C	.	.	H	α-helix	trans	-66.8	-24.2	-179.1	-68.6	-44.5	-59.5	0	0	114.2	P686 E687 L692 V693 F698 L710 V713 M714 L717	P686-M690 WeakPolarHBondContact O-CG 3.39Å; P686-M690 PolarHBondContact O-N 3.18Å; E687-M690 PolarHBondContact O-N 2.83Å; M690-L692 VanDerWaalsContact C-N 3.32Å; M690-V693 HydrophobicContact CE-CG1 3.92Å; M690-V693 HydrophobicContact SD-CG1 4Å; M690-F698 HydrophobicContact CE-CD1 4.18Å; M690-F698 HydrophobicContact CE-CD2 3.8Å; M690-F698 HydrophobicContact CE-CE1 4.12Å; M690-F698 HydrophobicContact CE-CE2 3.76Å; M690-F698 HydrophobicContact CE-CG 4.02Å; M690-F698 HydrophobicContact CE-CZ 3.91Å; M690-F698 HydrophobicContact SD-CD2 3.92Å; M690-F698 HydrophobicContact SD-CE2 3.72Å; M690-F698 HydrophobicContact SD-CZ 4.31Å; M690-L710 HydrophobicContact CG-CB 4.34Å; M690-L710 HydrophobicContact CG-CD2 3.94Å; M690-L710 HydrophobicContact SD-CB 3.72Å; M690-L710 HydrophobicContact SD-CD1 4.48Å; M690-L710 HydrophobicContact SD-CD2 3.86Å; M690-L710 HydrophobicContact SD-CG 4.22Å; M690-V713 HydrophobicContact CB-CG1 4.22Å; M690-V713 HydrophobicContact CG-CB 4.3Å; M690-V713 HydrophobicContact CG-CG1 3.98Å; M690-M714 HydrophobicContact CE-CB 4.08Å; M690-M714 HydrophobicContact CE-CE 3.14Å; M690-M714 HydrophobicContact CE-CG 4.37Å; M690-L717 HydrophobicContact CB-CD1 4Å
691	Q	93	Very high	94.4	Very high	115 Å²	115	42.1 Å²	42.1	54%	0.537	22%	0.216	S	C	.	.	H	α-helix	trans	-70.2	-27.6	174.2	-75.9	171.2	12	0	0	113.4	E687 L688 F689 L717	E687-Q691 VanDerWaalsContact O-CG 3.29Å; E687-Q691 WeakPolarHBondContact O-CG 3.46Å; E687-Q691 PolarHBondContact O-N 2.93Å; L688-Q691 PolarHBondContact O-N 3.3Å; F689-Q691 VanDerWaalsContact C-N 3.26Å; F689-Q691 PolarHBondContact O-N 3.43Å; Q691-L717 HydrophobicContact CG-CD1 4.48Å
692	L	94.1	Very high	94.1	Very high	44 Å²	44	43.7 Å²	43.7	23%	0.23	23%	0.226	C	C	.	.	H	α-helix	trans	-114.8	-23.8	-169.6	-65.9	171.8	0	0	0	114	F500 K618 L621 F689 M690	F500-L692 HydrophobicContact CZ-CD2 3.83Å; K618-L692 VanDerWaalsContact CA-CD1 3.48Å; K618-L692 HydrophobicContact CB-CD1 3.8Å; K618-L692 HydrophobicContact CG-CD1 3.95Å; K618-L692 WeakPolarHBondContact O-CD1 3.14Å; L621-L692 HydrophobicContact CB-CD1 3.7Å; L621-L692 HydrophobicContact CD1-CD1 4.15Å; F689-L692 PolarHBondContact O-N 2.87Å; F689-L692 VanDerWaalsContact O-N 3.14Å; M690-L692 VanDerWaalsContact C-N 3.32Å
693	V	94.8	Very high	93.9	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.042	26%	0.258	C	S	.	.	S	Bend	trans	-63.5	132.2	-175.6	68.4	0	0	0	0	111.1	F625 F689 M690 Q695 Y697 F698	F625-V693 HydrophobicContact CD2-CG2 4.43Å; F689-V693 HydrophobicContact CD1-CB 4.29Å; F689-V693 HydrophobicContact CD1-CG1 4.24Å; F689-V693 HydrophobicContact CE1-CB 3.9Å; F689-V693 HydrophobicContact CE1-CG1 3.95Å; F689-V693 HydrophobicContact CE1-CG2 3.9Å; F689-V693 HydrophobicContact CE2-CB 4.23Å; F689-V693 HydrophobicContact CE2-CG2 4.11Å; F689-V693 HydrophobicContact CZ-CB 3.88Å; F689-V693 HydrophobicContact CZ-CG1 4.42Å; F689-V693 HydrophobicContact CZ-CG2 3.54Å; F689-V693 WeakPolarHBondContact O-CB 3.33Å; F689-V693 WeakPolarHBondContact O-CG1 3.46Å; F689-V693 PolarHBondContact O-N 2.9Å; M690-V693 HydrophobicContact CE-CG1 3.92Å; M690-V693 HydrophobicContact SD-CG1 4Å; V693-Q695 PolarHBondContact O-N 3.04Å; V693-Y697 HydrophobicContact CG2-CD1 3.47Å; V693-Y697 VanDerWaalsContact CG2-CD1 3.47Å; V693-Y697 HydrophobicContact CG2-CE1 4.07Å; V693-F698 HydrophobicContact CG1-CB 4.25Å; V693-F698 HydrophobicContact CG2-CB 4.25Å
694	P	93.6	Very high	93.7	Very high	42 Å²	42	45.7 Å²	45.7	27%	0.273	25%	0.247	S	C	.	.			trans	-59.3	128.8	171.4	-24.2	34	0	0	0	111	F625 Y696 Y697 F698	F625-P694 HydrophobicContact CE1-CG 4.1Å; F625-P694 HydrophobicContact CE2-CG 4.04Å; F625-P694 HydrophobicContact CZ-CG 3.82Å; P694-Y696 PolarHBondContact O-N 2.9Å; P694-Y697 WeakPolarHBondContact O-CB 3.26Å; P694-Y697 PolarHBondContact O-N 3.1Å; P694-Y697 VanDerWaalsContact O-N 3.09Å; P694-F698 PolarHBondContact O-N 3.29Å
695	Q	90.8	Very high	93.5	Very high	107 Å²	107	50.7 Å²	50.7	50%	0.5	27%	0.27	S	S	.	.	H	α-helix	trans	-57.3	-35.5	-178.2	-70.5	-64.8	-22.1	0	0	112.7	V693 F698 S699	V693-Q695 PolarHBondContact O-N 3.04Å; Q695-F698 PolarHBondContact O-N 3.36Å; Q695-S699 WeakPolarHBondContact O-CB 3.26Å; Q695-S699 PolarHBondContact O-N 3.44Å; Q695-S699 PolarHBondContact O-OG 2.98Å
696	Y	90.6	Very high	93.4	Very high	132 Å²	132	48.6 Å²	48.6	52%	0.518	26%	0.255	S	S	.	.	H	α-helix	trans	-65	-46.3	177.1	-177.7	-123.8	0	0	0	112	Y464 P694 F698 S699 N700	Y464-Y696 AromaticContact CD1-CD1 3.89Å; Y464-Y696 HydrophobicContact CD1-CD1 3.89Å; Y464-Y696 HydrophobicContact CD1-CE1 4.39Å; Y464-Y696 AromaticContact CE1-CD1 3.41Å; Y464-Y696 HydrophobicContact CE1-CD1 3.41Å; Y464-Y696 VanDerWaalsContact CE1-CD1 3.41Å; Y464-Y696 AromaticContact CE1-CE1 3.69Å; Y464-Y696 HydrophobicContact CE1-CE1 3.69Å; Y464-Y696 HydrophobicContact CE1-CG 4.24Å; P694-Y696 PolarHBondContact O-N 2.9Å; Y696-F698 PolarHBondContact O-N 3.44Å; Y696-S699 PolarHBondContact O-N 3.28Å; Y696-N700 WeakPolarHBondContact CE2-ND2 3.5Å; Y696-N700 PolarHBondContact O-N 3.41Å; Y696-N700 PolarHBondContact O-ND2 3.28Å
697	Y	94	Very high	93.4	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-48.3	173.5	171.4	-96.4	0	0	0	111.7	Y464 F625 M626 T642 F689 V693 P694 S699 N700 L701	Y464-Y697 HydrophobicContact CD1-CD2 4.33Å; Y464-Y697 HydrophobicContact CD1-CG 4.46Å; Y464-Y697 AromaticContact CD2-CD2 3.9Å; Y464-Y697 HydrophobicContact CD2-CD2 3.9Å; Y464-Y697 VanDerWaalsContact CE1-CA 3.4Å; Y464-Y697 HydrophobicContact CE1-CD2 4.27Å; Y464-Y697 HydrophobicContact CE1-CG 4.5Å; Y464-Y697 AromaticContact CE2-CD2 3.84Å; Y464-Y697 HydrophobicContact CE2-CD2 3.84Å; Y464-Y697 HydrophobicContact CG-CD2 4.16Å; F625-Y697 AromaticContact CD2-CD1 3.76Å; F625-Y697 HydrophobicContact CD2-CD1 3.76Å; F625-Y697 HydrophobicContact CD2-CD2 4.34Å; F625-Y697 AromaticContact CD2-CE1 3.96Å; F625-Y697 HydrophobicContact CD2-CE1 3.96Å; F625-Y697 AromaticContact CD2-CG 3.95Å; F625-Y697 HydrophobicContact CD2-CG 3.95Å; F625-Y697 HydrophobicContact CE2-CD1 4.12Å; F625-Y697 HydrophobicContact CE2-CD2 4.04Å; F625-Y697 AromaticContact CE2-CG 3.82Å; F625-Y697 HydrophobicContact CE2-CG 3.82Å; M626-Y697 HydrophobicContact CB-CE2 4.29Å; M626-Y697 HydrophobicContact CG-CD2 4.1Å; M626-Y697 HydrophobicContact CG-CE2 3.66Å; M626-Y697 HydrophobicContact SD-CE2 4.49Å; T642-Y697 HydrophobicContact CG2-CE2 4.45Å; T642-Y697 PolarHBondContact OG1-OH 2.81Å; F689-Y697 HydrophobicContact CZ-CE1 4.28Å; V693-Y697 HydrophobicContact CG2-CD1 3.47Å; V693-Y697 VanDerWaalsContact CG2-CD1 3.47Å; V693-Y697 HydrophobicContact CG2-CE1 4.07Å; P694-Y697 WeakPolarHBondContact O-CB 3.26Å; P694-Y697 PolarHBondContact O-N 3.1Å; P694-Y697 VanDerWaalsContact O-N 3.09Å; Y697-S699 VanDerWaalsContact C-N 3.31Å; Y697-S699 PolarHBondContact O-N 2.8Å; Y697-N700 PolarHBondContact O-N 3.4Å; Y697-N700 VanDerWaalsContact O-N 3.09Å; Y697-L701 HydrophobicContact CE1-CD1 4.26Å; Y697-L701 HydrophobicContact CE1-CD2 3.85Å; Y697-L701 HydrophobicContact CE1-CG 4.12Å; Y697-L701 HydrophobicContact CE2-CD2 4.34Å; Y697-L701 PolarHBondContact O-N 2.79Å; Y697-L701 WeakPolarHBondContact OH-CD2 3.34Å
698	F	94.6	Very high	93.3	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-41.7	-179.4	-179.5	-100.2	0	0	0	112.4	F689 M690 V693 P694 Q695 Y696 N700 L701 K707 L710 Q711 M714	F689-F698 HydrophobicContact CE1-CD2 4.39Å; M690-F698 HydrophobicContact CE-CD1 4.18Å; M690-F698 HydrophobicContact CE-CD2 3.8Å; M690-F698 HydrophobicContact CE-CE1 4.12Å; M690-F698 HydrophobicContact CE-CE2 3.76Å; M690-F698 HydrophobicContact CE-CG 4.02Å; M690-F698 HydrophobicContact CE-CZ 3.91Å; M690-F698 HydrophobicContact SD-CD2 3.92Å; M690-F698 HydrophobicContact SD-CE2 3.72Å; M690-F698 HydrophobicContact SD-CZ 4.31Å; V693-F698 HydrophobicContact CG1-CB 4.25Å; V693-F698 HydrophobicContact CG2-CB 4.25Å; P694-F698 PolarHBondContact O-N 3.29Å; Q695-F698 PolarHBondContact O-N 3.36Å; Y696-F698 PolarHBondContact O-N 3.44Å; F698-N700 PolarHBondContact O-N 3.49Å; F698-L701 HydrophobicContact CD2-CD1 3.75Å; F698-L701 HydrophobicContact CE2-CD1 4.2Å; F698-L701 WeakPolarHBondContact O-CB 3.47Å; F698-L701 PolarHBondContact O-N 2.83Å; F698-K707 HydrophobicContact CE2-CG 4.4Å; F698-K707 HydrophobicContact CZ-CG 4.21Å; F698-K707 PolarHBondContact O-NZ 2.79Å; F698-L710 HydrophobicContact CE2-CB 3.63Å; F698-L710 HydrophobicContact CE2-CD1 4.14Å; F698-L710 HydrophobicContact CZ-CB 4.02Å; F698-Q711 HydrophobicContact CZ-CB 4.49Å; F698-M714 HydrophobicContact CD1-CE 3.41Å; F698-M714 VanDerWaalsContact CD1-CE 3.41Å; F698-M714 HydrophobicContact CE1-CE 3.38Å; F698-M714 HydrophobicContact CG-CE 4.21Å; F698-M714 HydrophobicContact CZ-CE 4.18Å
699	S	92.4	Very high	93.3	Very high	75 Å²	75	51.1 Å²	51.1	52%	0.524	27%	0.269	S	S	.	.	H	α-helix	trans	-59.3	-38.4	176.6	-61.8	0	0	0	0	111.7	Q695 Y696 Y697 L701 K707	Q695-S699 WeakPolarHBondContact O-CB 3.26Å; Q695-S699 PolarHBondContact O-N 3.44Å; Q695-S699 PolarHBondContact O-OG 2.98Å; Y696-S699 PolarHBondContact O-N 3.28Å; Y697-S699 VanDerWaalsContact C-N 3.31Å; Y697-S699 PolarHBondContact O-N 2.8Å; S699-L701 VanDerWaalsContact C-N 3.35Å; S699-L701 PolarHBondContact O-N 3.38Å; S699-K707 PolarHBondContact O-NZ 3.49Å
700	N	91.9	Very high	93.2	Very high	80 Å²	80	51.1 Å²	51.1	43%	0.428	27%	0.268	S	S	.	.	H	α-helix	trans	-80.1	-9.1	-179.5	-67.7	-19.5	0	0	0	114.4	Y464 Y696 Y697 F698	Y464-N700 PolarHBondContact OH-ND2 2.84Å; Y696-N700 WeakPolarHBondContact CE2-ND2 3.5Å; Y696-N700 PolarHBondContact O-N 3.41Å; Y696-N700 PolarHBondContact O-ND2 3.28Å; Y697-N700 PolarHBondContact O-N 3.4Å; Y697-N700 VanDerWaalsContact O-N 3.09Å; F698-N700 PolarHBondContact O-N 3.49Å
701	L	92.7	Very high	93.2	Very high	10 Å²	10	53.9 Å²	53.9	5%	0.052	28%	0.281	C	S	.	.	S	Bend	trans	-57.8	140.6	175.1	-74.8	176.7	0	0	0	111.8	L641 Y697 F698 S699 K707	L641-L701 HydrophobicContact CB-CD2 4.09Å; Y697-L701 HydrophobicContact CE1-CD1 4.26Å; Y697-L701 HydrophobicContact CE1-CD2 3.85Å; Y697-L701 HydrophobicContact CE1-CG 4.12Å; Y697-L701 HydrophobicContact CE2-CD2 4.34Å; Y697-L701 PolarHBondContact O-N 2.79Å; Y697-L701 WeakPolarHBondContact OH-CD2 3.34Å; F698-L701 HydrophobicContact CD2-CD1 3.75Å; F698-L701 HydrophobicContact CE2-CD1 4.2Å; F698-L701 WeakPolarHBondContact O-CB 3.47Å; F698-L701 PolarHBondContact O-N 2.83Å; S699-L701 VanDerWaalsContact C-N 3.35Å; S699-L701 PolarHBondContact O-N 3.38Å; L701-K707 HydrophobicContact CB-CD 3.91Å; L701-K707 WeakPolarHBondContact O-CD 3.23Å; L701-K707 PolarHBondContact O-NZ 2.89Å
702	P	91.5	Very high	93.2	Very high	33 Å²	33	53.9 Å²	53.9	21%	0.214	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-65.9	150	177.3	30.2	-36.8	0	0	0	111.3	L641 T642 K644 S704	L641-P702 WeakPolarHBondContact O-CD 3.4Å; L641-P702 VanDerWaalsContact O-CG 3.29Å; L641-P702 WeakPolarHBondContact O-CG 3.36Å; T642-P702 WeakPolarHBondContact O-CG 3.33Å; K644-P702 HydrophobicContact CG-CG 4.44Å; P702-S704 PolarHBondContact O-N 3.42Å
703	P	91.5	Very high	93.2	Very high	105 Å²	105	52.6 Å²	52.6	68%	0.682	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-61.7	128.6	178.3	25.6	-33.8	0	0	0	110.4	K644	K644-P703 WeakPolarHBondContact CE-O 3.42Å; K644-P703 PolarHBondContact NZ-O 3.49Å
704	S	92.4	Very high	93	Very high	22 Å²	22	53.7 Å²	53.7	15%	0.154	28%	0.28	C	S	.	.			trans	-161.5	158.5	-178.3	59.3	0	0	0	0	110.2	P702 S706 K707 D708	P702-S704 PolarHBondContact O-N 3.42Å; S704-S706 PolarHBondContact O-N 3.06Å; S704-K707 WeakPolarHBondContact O-CA 3.43Å; S704-K707 WeakPolarHBondContact O-CB 3.3Å; S704-K707 PolarHBondContact O-N 3.09Å; S704-K707 PolarHBondContact OG-N 3.03Å; S704-K707 VanDerWaalsContact OG-N 3.15Å; S704-D708 PolarHBondContact O-N 3.12Å
705	E	92.6	Very high	92.8	Very high	111 Å²	111	56.3 Å²	56.3	52%	0.519	29%	0.292	S	S	.	.	H	α-helix	trans	-55.3	-39.8	173.6	-171.1	-162.2	134.3	0	0	111.6	R630 K707 D708 I709	R630-E705 IonicContact CZ-OE1 2.94Å; R630-E705 IonicContact NH1-OE1 2.84Å; R630-E705 PolarHBondContact NH1-OE1 2.65Å; R630-E705 IonicContact NH2-OE1 2.87Å; R630-E705 PolarHBondContact NH2-OE1 2.95Å; E705-K707 VanDerWaalsContact C-N 3.33Å; E705-K707 PolarHBondContact O-N 3.29Å; E705-D708 PolarHBondContact O-N 3.01Å; E705-D708 VanDerWaalsContact O-N 3.17Å; E705-I709 HydrophobicContact CG-CD1 4.3Å; E705-I709 WeakPolarHBondContact O-CG1 3.05Å; E705-I709 PolarHBondContact O-N 3.48Å
706	S	93.8	Very high	92.6	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.014	30%	0.303	C	S	.	.	H	α-helix	trans	-59	-42.2	174.1	-59	0	0	0	0	112.2	R630 S704 D708 I709 L710	R630-S706 WeakPolarHBondContact CD-OG 3.45Å; S704-S706 PolarHBondContact O-N 3.06Å; S706-D708 VanDerWaalsContact C-N 3.35Å; S706-I709 PolarHBondContact O-N 2.93Å; S706-L710 WeakPolarHBondContact O-CB 3.37Å; S706-L710 WeakPolarHBondContact O-CG 3.47Å; S706-L710 PolarHBondContact O-N 3.3Å
707	K	94.4	Very high	92	Very high	34 Å²	34	56.3 Å²	56.3	15%	0.148	30%	0.299	C	S	.	.	H	α-helix	trans	-65.7	-38.5	175.8	-175.8	171.6	177.8	153.5	0	111.5	F698 S699 L701 S704 E705 L710 Q711	F698-K707 HydrophobicContact CE2-CG 4.4Å; F698-K707 HydrophobicContact CZ-CG 4.21Å; F698-K707 PolarHBondContact O-NZ 2.79Å; S699-K707 PolarHBondContact O-NZ 3.49Å; L701-K707 HydrophobicContact CB-CD 3.91Å; L701-K707 WeakPolarHBondContact O-CD 3.23Å; L701-K707 PolarHBondContact O-NZ 2.89Å; S704-K707 WeakPolarHBondContact O-CA 3.43Å; S704-K707 WeakPolarHBondContact O-CB 3.3Å; S704-K707 PolarHBondContact O-N 3.09Å; S704-K707 PolarHBondContact OG-N 3.03Å; S704-K707 VanDerWaalsContact OG-N 3.15Å; E705-K707 VanDerWaalsContact C-N 3.33Å; E705-K707 PolarHBondContact O-N 3.29Å; K707-L710 PolarHBondContact O-N 3.24Å; K707-Q711 WeakPolarHBondContact O-CB 3.45Å; K707-Q711 PolarHBondContact O-N 3.02Å
708	D	94.6	Very high	90.8	Very high	95 Å²	95	59.4 Å²	59.4	51%	0.508	32%	0.321	S	S	.	.	H	α-helix	trans	-65.4	-40.9	178.5	-61	-29.1	0	0	0	111.7	S704 E705 S706 Q711 Q712	S704-D708 PolarHBondContact O-N 3.12Å; E705-D708 PolarHBondContact O-N 3.01Å; E705-D708 VanDerWaalsContact O-N 3.17Å; S706-D708 VanDerWaalsContact C-N 3.35Å; D708-Q711 PolarHBondContact O-N 3.48Å; D708-Q712 WeakPolarHBondContact O-CG 3.44Å; D708-Q712 PolarHBondContact O-N 3.16Å
709	I	94.2	Very high	88.7	Confident	41 Å²	41	64.8 Å²	64.8	21%	0.21	36%	0.356	C	S	.	.	H	α-helix	trans	-62.7	-46.5	174.1	-68.8	165.5	0	0	0	110.7	W664 E705 S706 Q711 Q712 V713	W664-I709 HydrophobicContact CZ2-CG2 4.21Å; E705-I709 HydrophobicContact CG-CD1 4.3Å; E705-I709 WeakPolarHBondContact O-CG1 3.05Å; E705-I709 PolarHBondContact O-N 3.48Å; S706-I709 PolarHBondContact O-N 2.93Å; I709-Q711 VanDerWaalsContact C-N 3.28Å; I709-Q711 PolarHBondContact O-N 2.92Å; I709-Q712 WeakPolarHBondContact O-CB 3.27Å; I709-Q712 PolarHBondContact O-N 3.47Å; I709-V713 WeakPolarHBondContact O-CG2 3.33Å; I709-V713 PolarHBondContact O-N 3.17Å
710	L	94.9	Very high	86.2	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-63.3	-34.8	177.8	-70.6	172.6	0	0	0	112.4	L641 W664 P686 F689 M690 F698 S706 K707 V713 M714	L641-L710 HydrophobicContact CD1-CD1 3.98Å; W664-L710 HydrophobicContact CH2-CD1 3.96Å; W664-L710 HydrophobicContact CH2-CD2 4.01Å; W664-L710 HydrophobicContact CH2-CG 3.77Å; W664-L710 HydrophobicContact CZ3-CD1 3.98Å; W664-L710 HydrophobicContact CZ3-CD2 4.19Å; W664-L710 HydrophobicContact CZ3-CG 4.18Å; P686-L710 HydrophobicContact CB-CD2 3.88Å; F689-L710 HydrophobicContact CD1-CD1 4.03Å; F689-L710 HydrophobicContact CD1-CD2 3.82Å; F689-L710 HydrophobicContact CE1-CD1 3.81Å; F689-L710 HydrophobicContact CE1-CD2 4.43Å; M690-L710 HydrophobicContact CG-CB 4.34Å; M690-L710 HydrophobicContact CG-CD2 3.94Å; M690-L710 HydrophobicContact SD-CB 3.72Å; M690-L710 HydrophobicContact SD-CD1 4.48Å; M690-L710 HydrophobicContact SD-CD2 3.86Å; M690-L710 HydrophobicContact SD-CG 4.22Å; F698-L710 HydrophobicContact CE2-CB 3.63Å; F698-L710 HydrophobicContact CE2-CD1 4.14Å; F698-L710 HydrophobicContact CZ-CB 4.02Å; S706-L710 WeakPolarHBondContact O-CB 3.37Å; S706-L710 WeakPolarHBondContact O-CG 3.47Å; S706-L710 PolarHBondContact O-N 3.3Å; K707-L710 PolarHBondContact O-N 3.24Å; L710-V713 PolarHBondContact O-N 2.88Å; L710-M714 PolarHBondContact O-N 3.16Å
711	Q	94.1	Very high	83.4	Confident	69 Å²	69	71 Å²	71	32%	0.322	39%	0.387	S	S	.	.	H	α-helix	trans	-65.1	-43.3	173.6	-173.1	62.9	62	0	0	111.5	F698 K707 D708 I709 V713 M714 D715	F698-Q711 HydrophobicContact CZ-CB 4.49Å; K707-Q711 WeakPolarHBondContact O-CB 3.45Å; K707-Q711 PolarHBondContact O-N 3.02Å; D708-Q711 PolarHBondContact O-N 3.48Å; I709-Q711 VanDerWaalsContact C-N 3.28Å; I709-Q711 PolarHBondContact O-N 2.92Å; Q711-V713 VanDerWaalsContact C-N 3.29Å; Q711-V713 PolarHBondContact O-N 3.48Å; Q711-M714 WeakPolarHBondContact O-CB 3.18Å; Q711-M714 PolarHBondContact O-N 2.99Å; Q711-M714 VanDerWaalsContact O-N 3.14Å; Q711-D715 PolarHBondContact NE2-OD1 3.26Å; Q711-D715 PolarHBondContact O-N 2.88Å
712	Q	94.2	Very high	80.9	Confident	115 Å²	115	76.9 Å²	76.9	54%	0.537	42%	0.424	S	S	.	.	H	α-helix	trans	-60.4	-41.2	175	-68.8	170.4	22.4	0	0	111.5	D708 I709 M714 D715 H716	D708-Q712 WeakPolarHBondContact O-CG 3.44Å; D708-Q712 PolarHBondContact O-N 3.16Å; I709-Q712 WeakPolarHBondContact O-CB 3.27Å; I709-Q712 PolarHBondContact O-N 3.47Å; Q712-M714 VanDerWaalsContact C-N 3.34Å; Q712-M714 PolarHBondContact O-N 3.02Å; Q712-D715 PolarHBondContact O-N 3.4Å; Q712-H716 PolarHBondContact O-CD2 2.76Å; Q712-H716 PolarHBondContact O-N 3.08Å
713	V	93.3	Very high	78.1	Confident	17 Å²	17	81.4 Å²	81.4	10%	0.103	45%	0.45	C	S	.	.	H	α-helix	trans	-61.3	-42.9	174.8	172.9	0	0	0	0	111.1	P686 E687 M690 I709 L710 Q711 D715 H716 L717	P686-V713 HydrophobicContact CB-CG2 4.04Å; E687-V713 HydrophobicContact CB-CG1 4.32Å; E687-V713 HydrophobicContact CG-CG1 3.97Å; M690-V713 HydrophobicContact CB-CG1 4.22Å; M690-V713 HydrophobicContact CG-CB 4.3Å; M690-V713 HydrophobicContact CG-CG1 3.98Å; I709-V713 WeakPolarHBondContact O-CG2 3.33Å; I709-V713 PolarHBondContact O-N 3.17Å; L710-V713 PolarHBondContact O-N 2.88Å; Q711-V713 VanDerWaalsContact C-N 3.29Å; Q711-V713 PolarHBondContact O-N 3.48Å; V713-D715 PolarHBondContact O-N 2.98Å; V713-H716 PolarHBondContact O-N 2.91Å; V713-L717 HydrophobicContact CG1-CD1 3.89Å; V713-L717 HydrophobicContact CG1-CG 4.4Å; V713-L717 VanDerWaalsContact O-CG 3.31Å; V713-L717 WeakPolarHBondContact O-CG 3.43Å; V713-L717 PolarHBondContact O-N 3.36Å
714	M	90.3	Very high	75.2	Confident	30 Å²	30	83 Å²	83	15%	0.148	45%	0.453	C	S	.	.	H	α-helix	trans	-60	-44	174.8	-169.9	-171.1	-69.6	0	0	112.3	M690 F698 L710 Q711 Q712 H716 L717 S718	M690-M714 HydrophobicContact CE-CB 4.08Å; M690-M714 HydrophobicContact CE-CE 3.14Å; M690-M714 HydrophobicContact CE-CG 4.37Å; F698-M714 HydrophobicContact CD1-CE 3.41Å; F698-M714 VanDerWaalsContact CD1-CE 3.41Å; F698-M714 HydrophobicContact CE1-CE 3.38Å; F698-M714 HydrophobicContact CG-CE 4.21Å; F698-M714 HydrophobicContact CZ-CE 4.18Å; L710-M714 PolarHBondContact O-N 3.16Å; Q711-M714 WeakPolarHBondContact O-CB 3.18Å; Q711-M714 PolarHBondContact O-N 2.99Å; Q711-M714 VanDerWaalsContact O-N 3.14Å; Q712-M714 VanDerWaalsContact C-N 3.34Å; Q712-M714 PolarHBondContact O-N 3.02Å; M714-H716 VanDerWaalsContact C-N 3.26Å; M714-H716 PolarHBondContact O-N 3.05Å; M714-L717 PolarHBondContact O-N 2.95Å; M714-S718 PolarHBondContact O-N 3.45Å; M714-S718 PolarHBondContact O-OG 3.34Å
715	D	89.8	Confident	72.4	Confident	97 Å²	97	91.7 Å²	91.7	52%	0.519	49%	0.488	S	S	.	.	H	α-helix	trans	-65.6	-32	-179.6	-63.1	-12.7	0	0	0	111.4	Q711 Q712 V713	Q711-D715 PolarHBondContact NE2-OD1 3.26Å; Q711-D715 PolarHBondContact O-N 2.88Å; Q712-D715 PolarHBondContact O-N 3.4Å; V713-D715 PolarHBondContact O-N 2.98Å
716	H	86.9	Confident	69.4	Low	159 Å²	159	95.6 Å²	95.6	74%	0.736	51%	0.507	S	S	*	.	H	α-helix	trans	-77.3	-32.3	174.2	-72.3	-52.2	0	0	0	113.9	Q712 V713 M714	Q712-H716 PolarHBondContact O-CD2 2.76Å; Q712-H716 PolarHBondContact O-N 3.08Å; V713-H716 PolarHBondContact O-N 2.91Å; M714-H716 VanDerWaalsContact C-N 3.26Å; M714-H716 PolarHBondContact O-N 3.05Å
717	L	78.9	Confident	66.2	Low	81 Å²	81	105 Å²	105	42%	0.424	55%	0.55	S	S	.	*	H	α-helix	trans	-75.4	-27.3	176.8	-73.1	170.4	0	0	0	112.5	M690 Q691 V713 M714 P719	M690-L717 HydrophobicContact CB-CD1 4Å; Q691-L717 HydrophobicContact CG-CD1 4.48Å; V713-L717 HydrophobicContact CG1-CD1 3.89Å; V713-L717 HydrophobicContact CG1-CG 4.4Å; V713-L717 VanDerWaalsContact O-CG 3.31Å; V713-L717 WeakPolarHBondContact O-CG 3.43Å; V713-L717 PolarHBondContact O-N 3.36Å; M714-L717 PolarHBondContact O-N 2.95Å; L717-P719 VanDerWaalsContact O-CD 3.26Å; L717-P719 WeakPolarHBondContact O-CD 3.5Å
718	S	68.4	Low	63.1	Low	68 Å²	68	112.8 Å²	112.8	48%	0.476	58%	0.584	S	S	.	*	S	Bend	trans	-73.4	109.9	173.6	-56.5	0	0	0	0	108.9	M714 M720	M714-S718 PolarHBondContact O-N 3.45Å; M714-S718 PolarHBondContact O-OG 3.34Å; S718-M720 PolarHBondContact O-N 3.11Å
719	P	50.3	Low	59.9	Low	116 Å²	116	116.9 Å²	116.9	75%	0.753	60%	0.602	S	S	*	*			trans	-60.1	135.1	176.5	25	-31.5	0	0	0	108.2	L717 S721	L717-P719 VanDerWaalsContact O-CD 3.26Å; L717-P719 WeakPolarHBondContact O-CD 3.5Å; P719-S721 VanDerWaalsContact C-N 3.3Å; P719-S721 PolarHBondContact O-N 2.52Å
720	M	40	Very low	56.5	Low	188 Å²	188	120.9 Å²	120.9	93%	0.926	63%	0.632	S	S	*	*			trans	-48.7	98.6	169.1	-86.3	-156.1	146.5	0	0	109.1	S718 T722	S718-M720 PolarHBondContact O-N 3.11Å; M720-T722 PolarHBondContact O-N 2.8Å
721	S	33.8	Very low	53.5	Low	98 Å²	98	129.5 Å²	129.5	69%	0.685	67%	0.673	S	S	*	*			trans	-62.4	110.9	161.7	52.9	0	0	0	0	105	P719 V723	P719-S721 VanDerWaalsContact C-N 3.3Å; P719-S721 PolarHBondContact O-N 2.52Å; S721-V723 PolarHBondContact O-N 2.76Å
722	T	39	Very low	50.2	Low	134 Å²	134	132.9 Å²	132.9	82%	0.822	70%	0.698	S	S	*	*			trans	-65.9	79.2	168.7	18.8	0	0	0	0	107	M720 N724	M720-T722 PolarHBondContact O-N 2.8Å; T722-N724 PolarHBondContact O-N 3.06Å
723	V	31.9	Very low	46.9	Very low	127 Å²	127	133.3 Å²	133.3	77%	0.77	71%	0.713	S	S	*	*			trans	-88.1	101.1	164	-177.6	0	0	0	0	106.9	S721	S721-V723 PolarHBondContact O-N 2.76Å
724	N	31.8	Very low	44	Very low	140 Å²	140	137.9 Å²	137.9	75%	0.749	74%	0.743	S	S	*	*			trans	-37.9	144.6	167.6	-75.5	-46.9	0	0	0	113	T722 E726	T722-N724 PolarHBondContact O-N 3.06Å; N724-E726 PolarHBondContact O-N 3.01Å
725	K	33.9	Very low	41.4	Very low	204 Å²	204	145.3 Å²	145.3	89%	0.887	78%	0.777	S	S	*	*	S	Bend	trans	-39	107.6	148.9	-72.9	169.5	172	172.3	0	109.9
726	E	28.3	Very low	38.3	Very low	193 Å²	193	147.5 Å²	147.5	90%	0.902	79%	0.794	S	S	*	*			trans	-175.2	72.6	145.9	-103.7	168.2	-158	0	0	109.9	N724	N724-E726 PolarHBondContact O-N 3.01Å
727	Q	28.1	Very low	35.6	Very low	200 Å²	200	144.6 Å²	144.6	94%	0.935	80%	0.798	S	S	*	*			trans	-90.9	98.7	151.8	-90.3	-178.7	-15.7	0	0	108
728	K	28.8	Very low	33.2	Very low	196 Å²	196	148.9 Å²	148.9	85%	0.852	82%	0.816	S	S	*	*			trans	-161.6	118.4	140	-110.8	175	-175.6	-177.7	0	110.6
729	M	26.1	Very low	31.3	Very low	181 Å²	181	154.9 Å²	154.9	89%	0.892	84%	0.836	S	S	*	*			trans	75.7	104.5	164.2	-58.5	179.1	58.2	0	0	117.1
730	C	24.6	Very low	30.5	Very low	125 Å²	125	159.7 Å²	159.7	85%	0.845	84%	0.839	S	S	*	*				-175.3	127.8	97.4	-149.7	0	0	0	0	110.4
731	E	30.5	Very low	29.8	Very low	182 Å²	182	156.1 Å²	156.1	85%	0.85	83%	0.831	S	S	*	*			trans	-65.9	132.3	162.9	-67.4	170.1	145.5	0	0	109.3
732	T	26	Very low	29.6	Very low	139 Å²	139	158.2 Å²	158.2	85%	0.853	84%	0.84	S	S	*	*			trans	168.4	124.1	132.5	36	0	0	0	0	110.4
733	C	24.1	Very low	29.1	Very low	124 Å²	124	159.8 Å²	159.8	84%	0.838	84%	0.843	S	S	*	*			trans	-68.2	157.3	158.9	-102.2	0	0	0	0	110.1
734	P	32.7	Very low	29	Very low	114 Å²	114	166.5 Å²	166.5	74%	0.74	87%	0.866	S	S	*	*				-148.1	165.2	61.5	36.6	-14.9	0	0	0	118.5
735	E	34.8	Very low	28.9	Very low	186 Å²	186	167.8 Å²	167.8	87%	0.869	87%	0.872	S	S	*	*			trans	22.8	112.7	150.5	-64.7	178.3	168	0	0	119.9
736	T	26.1	Very low	28.6	Very low	142 Å²	142	165.9 Å²	165.9	87%	0.871	87%	0.871	S	S	*	*			trans	-153	139.3	144.2	40.3	0	0	0	0	111.3
737	A	30.5	Very low	28.6	Very low	98 Å²	98	164.4 Å²	164.4	81%	0.81	87%	0.869	S	S	*	*			trans	-47.8	130.1	178.5	0	0	0	0	0	114.4	Q739	A737-Q739 PolarHBondContact O-N 3.17Å
738	E	28	Very low	28.7	Very low	172 Å²	172	162.3 Å²	162.3	80%	0.804	87%	0.865	S	S	*	*			trans	-76.5	105.2	165.8	-77.6	-175.2	163.6	0	0	109.6	R740	E738-R740 PolarHBondContact O-N 3.48Å
739	Q	28.5	Very low	28.6	Very low	194 Å²	194	160.2 Å²	160.2	91%	0.907	87%	0.866	S	S	*	*			trans	-62	112.7	160.2	-73.8	176.9	-42.6	0	0	108.7	A737	A737-Q739 PolarHBondContact O-N 3.17Å
740	R	33	Very low	28.8	Very low	216 Å²	216	158.8 Å²	158.8	82%	0.815	86%	0.864	S	S	*	*			trans	-88.5	133.6	164.4	-76.6	-175.3	178	170.8	0.9	109.5	E738 T742	E738-R740 PolarHBondContact O-N 3.48Å; R740-T742 PolarHBondContact O-N 3.34Å
741	C	24.9	Very low	29.1	Very low	113 Å²	113	161.2 Å²	161.2	76%	0.764	87%	0.866	S	S	*	*			trans	-46.6	118.3	178.4	-72.9	0	0	0	0	112.3	L743	C741-L743 PolarHBondContact O-N 3.41Å
742	T	29.3	Very low	29	Very low	142 Å²	142	159.6 Å²	159.6	87%	0.871	87%	0.867	S	S	*	*			trans	-59	111.9	142.4	37.7	0	0	0	0	108	R740	R740-T742 PolarHBondContact O-N 3.34Å
743	L	29.6	Very low	29.3	Very low	168 Å²	168	161.3 Å²	161.3	88%	0.88	87%	0.868	S	S	*	*			trans	-89.8	139.7	159.4	-76.3	165.3	0	0	0	107.7	C741	C741-L743 PolarHBondContact O-N 3.41Å
744	Q	29.7	Very low	29.7	Very low	267 Å²	267	164.7 Å²	164.7	100%	1.248	87%	0.871	S	S	*	*			trans	-84.8	0	-163.4	-138.7	179.3	-5.4	0	0	112.9

Retrieved 744 of 744 residues in 912.5 ms (Link to these results)

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