A0A3Q0KTL5_SCHMA Loading...

protein-serine/threonine phosphatase

AlphaFold DB (A0A5K4EXA1), UniProt , Accession A0A3Q0KTL5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 617 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	28.2	Very low	232 Å²	232	126.1 Å²	126.1	100%	1.143	65%	0.645	S	S	*	*				0	113.6	0	-64	174.3	-155.4	0	0	106.6	N3	M1-N3 PolarHBondContact O-N 3.4Å
2	R	23.2	Very low	28.5	Very low	243 Å²	243	122.5 Å²	122.5	92%	0.917	63%	0.628	S	S	*	*			trans	-70.6	112.9	179.7	-76.1	-179	177.3	174.7	-1.1	107.5	V4	R2-V4 VanDerWaalsContact C-N 3.31Å; R2-V4 PolarHBondContact O-N 3.1Å
3	N	24.1	Very low	28.3	Very low	151 Å²	151	127.1 Å²	127.1	81%	0.807	64%	0.64	S	S	*	*			trans	-61.7	94.5	171.6	-74.5	-20.7	0	0	0	108	M1 V5	M1-N3 PolarHBondContact O-N 3.4Å; N3-V5 VanDerWaalsContact C-N 3.32Å; N3-V5 PolarHBondContact O-N 2.97Å
4	V	23.4	Very low	28.3	Very low	112 Å²	112	127.3 Å²	127.3	68%	0.679	64%	0.635	S	S	*	*			trans	-72.1	98.8	165.7	-173	0	0	0	0	105.3	R2 I6	R2-V4 VanDerWaalsContact C-N 3.31Å; R2-V4 PolarHBondContact O-N 3.1Å; V4-I6 HydrophobicContact CB-CG1 4.26Å; V4-I6 HydrophobicContact CG1-CD1 4.07Å; V4-I6 HydrophobicContact CG1-CG1 3.5Å; V4-I6 VanDerWaalsContact CG1-CG1 3.5Å; V4-I6 PolarHBondContact O-N 3.09Å
5	V	24.1	Very low	28.3	Very low	136 Å²	136	126.6 Å²	126.6	82%	0.824	64%	0.643	S	S	*	*			trans	-66.4	87	168.8	179.6	0	0	0	0	106.7	N3 S7	N3-V5 VanDerWaalsContact C-N 3.32Å; N3-V5 PolarHBondContact O-N 2.97Å; V5-S7 PolarHBondContact O-N 3.32Å
6	I	22.6	Very low	28.1	Very low	92 Å²	92	127.1 Å²	127.1	47%	0.472	64%	0.64	S	S	.	*			trans	-86.2	104.5	170.5	-56.1	-178.7	0	0	0	106.2	V4 L10	V4-I6 HydrophobicContact CB-CG1 4.26Å; V4-I6 HydrophobicContact CG1-CD1 4.07Å; V4-I6 HydrophobicContact CG1-CG1 3.5Å; V4-I6 VanDerWaalsContact CG1-CG1 3.5Å; V4-I6 PolarHBondContact O-N 3.09Å; I6-L10 HydrophobicContact CG2-CB 3.7Å; I6-L10 HydrophobicContact CG2-CD1 3.97Å; I6-L10 HydrophobicContact CG2-CD2 4.35Å; I6-L10 HydrophobicContact CG2-CG 4.21Å
7	S	25.1	Very low	27.8	Very low	70 Å²	70	130.4 Å²	130.4	49%	0.49	65%	0.645	S	S	.	*			trans	-49.8	137	175.5	177.3	0	0	0	0	111.3	V5 N9 L10	V5-S7 PolarHBondContact O-N 3.32Å; S7-N9 PolarHBondContact O-N 2.81Å; S7-L10 PolarHBondContact O-N 2.78Å
8	L	35.8	Very low	27.6	Very low	38 Å²	38	131.7 Å²	131.7	20%	0.199	65%	0.649	C	S	.	*	G	3₁₀ helix	trans	-57.1	-11.2	-179.5	-147	81.8	0	0	0	113.6	L10 F11 L12 L490 Y494	L8-L10 PolarHBondContact O-N 3.49Å; L8-L10 VanDerWaalsContact O-N 3.11Å; L8-F11 HydrophobicContact CB-CB 4.47Å; L8-F11 HydrophobicContact CD1-CB 3.73Å; L8-F11 HydrophobicContact CD1-CD1 4.07Å; L8-F11 HydrophobicContact CD1-CD2 3.64Å; L8-F11 HydrophobicContact CD1-CE2 4.15Å; L8-F11 HydrophobicContact CD1-CG 3.57Å; L8-F11 HydrophobicContact CG-CB 3.69Å; L8-F11 HydrophobicContact CG-CD2 4.23Å; L8-F11 HydrophobicContact CG-CG 4.09Å; L8-F11 WeakPolarHBondContact O-CA 3.22Å; L8-F11 WeakPolarHBondContact O-CB 3.46Å; L8-F11 PolarHBondContact O-N 2.95Å; L8-L12 HydrophobicContact CD2-CD1 4.49Å; L8-L12 PolarHBondContact O-N 3.47Å; L8-L490 HydrophobicContact CB-CD2 4Å; L8-L490 HydrophobicContact CD1-CD2 4.14Å; L8-L490 HydrophobicContact CD2-CD1 4.13Å; L8-L490 HydrophobicContact CD2-CD2 3.79Å; L8-L490 HydrophobicContact CG-CD2 4.16Å; L8-Y494 HydrophobicContact CD2-CE2 4.39Å
9	N	31.4	Very low	27.5	Very low	97 Å²	97	130.7 Å²	130.7	52%	0.519	65%	0.653	S	S	.	*	G	3₁₀ helix	trans	-56.2	-22.4	166.2	-76.3	-13	0	0	0	113.2	S7 F16	S7-N9 PolarHBondContact O-N 2.81Å; N9-F16 WeakPolarHBondContact OD1-CE2 3.47Å
10	L	32	Very low	27.4	Very low	120 Å²	120	129.7 Å²	129.7	63%	0.628	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-86.5	-18.9	171.7	-119.4	123.6	0	0	0	113.5	I6 S7 L8	I6-L10 HydrophobicContact CG2-CB 3.7Å; I6-L10 HydrophobicContact CG2-CD1 3.97Å; I6-L10 HydrophobicContact CG2-CD2 4.35Å; I6-L10 HydrophobicContact CG2-CG 4.21Å; S7-L10 PolarHBondContact O-N 2.78Å; L8-L10 PolarHBondContact O-N 3.49Å; L8-L10 VanDerWaalsContact O-N 3.11Å
11	F	36.2	Very low	27.3	Very low	96 Å²	96	134.3 Å²	134.3	42%	0.421	67%	0.665	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.8	-29.3	177.5	-79.2	-102.5	0	0	0	112.1	L8	L8-F11 HydrophobicContact CB-CB 4.47Å; L8-F11 HydrophobicContact CD1-CB 3.73Å; L8-F11 HydrophobicContact CD1-CD1 4.07Å; L8-F11 HydrophobicContact CD1-CD2 3.64Å; L8-F11 HydrophobicContact CD1-CE2 4.15Å; L8-F11 HydrophobicContact CD1-CG 3.57Å; L8-F11 HydrophobicContact CG-CB 3.69Å; L8-F11 HydrophobicContact CG-CD2 4.23Å; L8-F11 HydrophobicContact CG-CG 4.09Å; L8-F11 WeakPolarHBondContact O-CA 3.22Å; L8-F11 WeakPolarHBondContact O-CB 3.46Å; L8-F11 PolarHBondContact O-N 2.95Å
12	L	32.9	Very low	27.2	Very low	83 Å²	83	127.2 Å²	127.2	44%	0.435	65%	0.652	S	S	.	*	S	Bend	trans	-118.2	77	172.7	-60.9	173.5	0	0	0	108.6	L8 K14 Y494	L8-L12 HydrophobicContact CD2-CD1 4.49Å; L8-L12 PolarHBondContact O-N 3.47Å; L12-K14 PolarHBondContact O-N 2.97Å; L12-Y494 WeakPolarHBondContact CD1-OH 3.28Å
13	K	25.4	Very low	27.2	Very low	182 Å²	182	123.3 Å²	123.3	79%	0.791	64%	0.644	S	S	*	*			trans	-66.6	81.2	169.1	-84.6	-171.1	174.8	-177.3	0	109.9
14	K	27.8	Very low	27.3	Very low	130 Å²	130	122.7 Å²	122.7	57%	0.565	64%	0.64	S	S	*	*	S	Bend	trans	-143.5	135.9	141.9	-86.1	-167.5	-179.8	173.7	0	107.9	L12 F16 R596	L12-K14 PolarHBondContact O-N 2.97Å; K14-F16 PolarHBondContact O-N 3.12Å; K14-R596 VanDerWaalsContact NZ-CZ 3.33Å
15	P	28.2	Very low	27.3	Very low	117 Å²	117	123.2 Å²	123.2	76%	0.76	64%	0.638	S	S	*	*			trans	-65.6	129.4	-174.6	25.7	-28.6	0	0	0	109.4	Y17	P15-Y17 PolarHBondContact O-N 3.05Å
16	F	25.2	Very low	27.3	Very low	135 Å²	135	127.5 Å²	127.5	59%	0.592	64%	0.64	S	S	*	*			trans	-48.7	101.5	164.4	-88.9	-98.6	0	0	0	109.1	N9 K14 Q18 P495	N9-F16 WeakPolarHBondContact OD1-CE2 3.47Å; K14-F16 PolarHBondContact O-N 3.12Å; F16-Q18 PolarHBondContact O-N 3.21Å; F16-P495 HydrophobicContact CE1-CG 4.5Å
17	Y	24	Very low	27.7	Very low	183 Å²	183	127.6 Å²	127.6	72%	0.718	64%	0.644	S	S	*	*			trans	-81.1	105.9	166.9	-136	-91.7	0	0	0	106.8	P15	P15-Y17 PolarHBondContact O-N 3.05Å
18	Q	24.1	Very low	27.9	Very low	154 Å²	154	127.5 Å²	127.5	72%	0.72	65%	0.647	S	S	*	*			trans	-68.4	128.3	166.7	-77.4	-175.9	-29.5	0	0	108	F16 T20	F16-Q18 PolarHBondContact O-N 3.21Å; Q18-T20 VanDerWaalsContact C-N 3.26Å; Q18-T20 PolarHBondContact O-N 3.37Å
19	P	25.4	Very low	27.9	Very low	113 Å²	113	126.5 Å²	126.5	73%	0.734	64%	0.643	S	S	*	*			trans	-77	81.6	176.3	30.5	-31	0	0	0	108.8	Y21	P19-Y21 PolarHBondContact O-N 2.95Å
20	T	25.6	Very low	28	Very low	110 Å²	110	129.3 Å²	129.3	68%	0.675	65%	0.651	S	S	*	*			trans	-79.3	110.7	163	43.8	0	0	0	0	108.5	Q18	Q18-T20 VanDerWaalsContact C-N 3.26Å; Q18-T20 PolarHBondContact O-N 3.37Å
21	Y	25.4	Very low	28.6	Very low	226 Å²	226	127.6 Å²	127.6	89%	0.886	64%	0.636	S	S	*	*	S	Bend	trans	44.3	106.7	155.6	-75	-91.3	0	0	0	118.4	P19 E23	P19-Y21 PolarHBondContact O-N 2.95Å; Y21-E23 PolarHBondContact O-N 2.85Å
22	G	29.4	Very low	28.6	Very low	83 Å²	83	133.2 Å²	133.2	86%	0.856	66%	0.655	S	S	*	*	S	Bend		97	-24.6	127.7	0	0	0	0	0	119.3
23	E	23.9	Very low	28.8	Very low	161 Å²	161	132.6 Å²	132.6	75%	0.752	65%	0.651	S	S	*	*			trans	-141.7	49.6	-177.5	-72.2	-172.5	160.3	0	0	113.3	Y21 L25	Y21-E23 PolarHBondContact O-N 2.85Å; E23-L25 HydrophobicContact CB-CD1 4.25Å; E23-L25 HydrophobicContact CG-CD1 4.47Å; E23-L25 PolarHBondContact O-N 3.37Å
24	L	25.9	Very low	29.5	Very low	139 Å²	139	133.6 Å²	133.6	73%	0.728	66%	0.658	S	S	*	*			trans	-73.9	61.4	147	-90.3	155.6	0	0	0	107.9	R26	L24-R26 PolarHBondContact O-N 3.31Å
25	L	23.4	Very low	30.5	Very low	122 Å²	122	128.5 Å²	128.5	64%	0.639	64%	0.643	S	S	*	*			trans	-42.2	132.1	154.8	-85.1	151.4	0	0	0	106.6	E23 V27	E23-L25 HydrophobicContact CB-CD1 4.25Å; E23-L25 HydrophobicContact CG-CD1 4.47Å; E23-L25 PolarHBondContact O-N 3.37Å; L25-V27 PolarHBondContact O-N 2.8Å
26	R	24.7	Very low	31.8	Very low	227 Å²	227	124.4 Å²	124.4	86%	0.857	61%	0.613	S	S	*	*			trans	-19.3	102.1	157.1	-72.6	177.7	174.1	-169	-4	109.3	L24 A28	L24-R26 PolarHBondContact O-N 3.31Å; R26-A28 HydrophobicContact CB-CB 4.07Å; R26-A28 PolarHBondContact O-N 3.44Å
27	V	30.7	Very low	33.2	Very low	94 Å²	94	121.4 Å²	121.4	57%	0.57	61%	0.606	S	S	*	*			trans	-74.8	58.1	149.2	-170	0	0	0	0	104.8	L25 C29 Y597	L25-V27 PolarHBondContact O-N 2.8Å; V27-C29 PolarHBondContact O-N 3.27Å; V27-Y597 HydrophobicContact CG1-CD1 4.24Å
28	A	29.2	Very low	34.9	Very low	67 Å²	67	118.8 Å²	118.8	55%	0.554	60%	0.604	S	S	*	*			trans	-56.7	97.1	139	0	0	0	0	0	101.1	R26 K30	R26-A28 HydrophobicContact CB-CB 4.07Å; R26-A28 PolarHBondContact O-N 3.44Å; A28-K30 PolarHBondContact O-N 2.76Å
29	C	35.1	Very low	36.7	Very low	17 Å²	17	113.9 Å²	113.9	12%	0.115	60%	0.595	C	S	.	*			trans	-42	124.1	171	-174.3	0	0	0	0	105	V27 R31 Y597 Y598	V27-C29 PolarHBondContact O-N 3.27Å; C29-R31 HydrophobicContact CB-CG 3.49Å; C29-R31 VanDerWaalsContact CB-CG 3.49Å; C29-R31 VanDerWaalsContact CB-CZ 3.47Å; C29-R31 WeakPolarHBondContact O-CG 3.47Å; C29-R31 PolarHBondContact O-N 3.11Å; C29-R31 WeakPolarHBondContact SG-CG 2.85Å; C29-R31 PolarHBondContact SG-NE 3.28Å; C29-Y597 PolarHBondContact SG-O 3.43Å; C29-Y598 VanDerWaalsContact SG-C 3.56Å; C29-Y598 PolarHBondContact SG-O 3.25Å
30	K	33.3	Very low	38.8	Very low	157 Å²	157	108.9 Å²	108.9	68%	0.683	56%	0.562	S	S	*	*			trans	-66	67.8	-178.2	-83.1	-178.6	162.6	-173.9	0	107.7	A28 I33	A28-K30 PolarHBondContact O-N 2.76Å; K30-I33 HydrophobicContact CB-CD1 3.49Å; K30-I33 VanDerWaalsContact CB-CD1 3.49Å; K30-I33 HydrophobicContact CB-CG1 4Å; K30-I33 HydrophobicContact CD-CD1 3.54Å; K30-I33 HydrophobicContact CG-CD1 3.56Å; K30-I33 HydrophobicContact CG-CG1 4.49Å
31	R	45.1	Very low	40.7	Very low	83 Å²	83	111.7 Å²	111.7	31%	0.313	57%	0.567	S	S	.	*			trans	-89.3	-27.1	-163.4	-75.7	172.3	176.4	159.5	-5.8	112.7	C29 D535 M536	C29-R31 HydrophobicContact CB-CG 3.49Å; C29-R31 VanDerWaalsContact CB-CG 3.49Å; C29-R31 VanDerWaalsContact CB-CZ 3.47Å; C29-R31 WeakPolarHBondContact O-CG 3.47Å; C29-R31 PolarHBondContact O-N 3.11Å; C29-R31 WeakPolarHBondContact SG-CG 2.85Å; C29-R31 PolarHBondContact SG-NE 3.28Å; R31-D535 WeakPolarHBondContact CD-O 3.39Å; R31-D535 IonicContact CZ-OD1 3.61Å; R31-D535 IonicContact CZ-OD2 3.78Å; R31-D535 IonicContact NE-OD2 3.14Å; R31-D535 VanDerWaalsContact NH1-CB 3.29Å; R31-D535 IonicContact NH1-OD1 3.66Å; R31-D535 PolarHBondContact NH1-OD1 3.46Å; R31-D535 IonicContact NH1-OD2 2.73Å; R31-D535 PolarHBondContact NH1-OD2 3.29Å; R31-D535 IonicContact NH2-OD2 3.78Å; R31-D535 PolarHBondContact NH2-OD2 3.32Å; R31-M536 HydrophobicContact CB-SD 4.41Å; R31-M536 HydrophobicContact CG-SD 3.94Å
32	R	35.4	Very low	42.9	Very low	215 Å²	215	108.4 Å²	108.4	81%	0.811	57%	0.565	S	S	*	*	S	Bend	trans	-110	78.8	166.9	-82.3	-173.4	175	-176.9	-1.5	109.8
33	I	38.6	Very low	45.1	Very low	69 Å²	69	107.2 Å²	107.2	35%	0.354	54%	0.539	S	S	.	.			trans	-121.7	104.1	166.7	-59.7	-164.2	0	0	0	108.3	K30 G35 F36	K30-I33 HydrophobicContact CB-CD1 3.49Å; K30-I33 VanDerWaalsContact CB-CD1 3.49Å; K30-I33 HydrophobicContact CB-CG1 4Å; K30-I33 HydrophobicContact CD-CD1 3.54Å; K30-I33 HydrophobicContact CG-CD1 3.56Å; K30-I33 HydrophobicContact CG-CG1 4.49Å; I33-G35 VanDerWaalsContact C-N 3.31Å; I33-G35 PolarHBondContact O-N 3.11Å; I33-F36 PolarHBondContact O-N 3.31Å
34	H	38.3	Very low	47.7	Very low	204 Å²	204	100.7 Å²	100.7	94%	0.944	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	105.9	141.1	-90	4.5	0	0	0	106.9
35	G	48.9	Very low	49.9	Very low	23 Å²	23	103 Å²	103	24%	0.237	52%	0.516	C	S	.	.	T	Hydrogen-bonded Turn	trans	109.7	17.8	-170.8	0	0	0	0	0	115.7	I33 T37 D38	I33-G35 VanDerWaalsContact C-N 3.31Å; I33-G35 PolarHBondContact O-N 3.11Å; G35-T37 PolarHBondContact O-N 2.7Å; G35-T37 VanDerWaalsContact O-N 3.08Å; G35-D38 WeakPolarHBondContact O-CB 3.18Å; G35-D38 PolarHBondContact O-N 2.91Å
36	F	57.3	Low	52.6	Low	30 Å²	30	102.7 Å²	102.7	13%	0.132	52%	0.519	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-33	168.9	178	-96.8	0	0	0	112	I33 D38 L40 L586 H587 M590 Y598	I33-F36 PolarHBondContact O-N 3.31Å; F36-D38 VanDerWaalsContact C-N 3.32Å; F36-D38 PolarHBondContact O-N 3.08Å; F36-L40 HydrophobicContact CD1-CD1 3.83Å; F36-L40 HydrophobicContact CE1-CD1 3.62Å; F36-L40 HydrophobicContact CG-CD1 4.42Å; F36-L40 HydrophobicContact CZ-CD1 4.04Å; F36-L40 WeakPolarHBondContact O-CD1 3.39Å; F36-L40 WeakPolarHBondContact O-CG 3.5Å; F36-L586 HydrophobicContact CD1-CB 4.45Å; F36-L586 HydrophobicContact CD1-CD1 4.33Å; F36-L586 HydrophobicContact CE1-CB 3.76Å; F36-L586 HydrophobicContact CE1-CD1 4.42Å; F36-H587 AromaticContact CE2-CE1 3.5Å; F36-H587 AromaticContact CZ-CE1 3.43Å; F36-H587 VanDerWaalsContact CZ-CE1 3.43Å; F36-H587 WeakPolarHBondContact CZ-CE1 3.29Å; F36-H587 AromaticContact CZ-ND1 3.58Å; F36-H587 AromaticContact CZ-NE2 3.79Å; F36-M590 HydrophobicContact CE1-CE 4.14Å; F36-M590 HydrophobicContact CE2-CE 4.35Å; F36-M590 HydrophobicContact CZ-CE 3.6Å; F36-Y598 HydrophobicContact CD2-CD1 4.38Å; F36-Y598 AromaticContact CE2-CD1 3.54Å; F36-Y598 HydrophobicContact CE2-CD1 3.54Å; F36-Y598 HydrophobicContact CE2-CE1 4.31Å; F36-Y598 HydrophobicContact CE2-CG 4.22Å; F36-Y598 HydrophobicContact CZ-CD1 4.14Å
37	T	52.7	Low	55.3	Low	72 Å²	72	96.5 Å²	96.5	44%	0.442	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-24.3	177.8	48	0	0	0	0	114.4	G35 G39 L40 L586	G35-T37 PolarHBondContact O-N 2.7Å; G35-T37 VanDerWaalsContact O-N 3.08Å; T37-G39 PolarHBondContact O-N 3.18Å; T37-G39 VanDerWaalsContact O-N 3.13Å; T37-L40 PolarHBondContact O-N 2.9Å; T37-L586 HydrophobicContact CG2-CD1 3.65Å
38	D	60.1	Low	57.9	Low	129 Å²	129	92.8 Å²	92.8	69%	0.69	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	112	-165.6	-64.2	-5.9	0	0	0	110.6	G35 F36	G35-D38 WeakPolarHBondContact O-CB 3.18Å; G35-D38 PolarHBondContact O-N 2.91Å; F36-D38 VanDerWaalsContact C-N 3.32Å; F36-D38 PolarHBondContact O-N 3.08Å
39	G	63	Low	60.7	Low	51 Å²	51	91.9 Å²	91.9	53%	0.526	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	-2.5	177.4	0	0	0	0	0	115.7	T37 E41	T37-G39 PolarHBondContact O-N 3.18Å; T37-G39 VanDerWaalsContact O-N 3.13Å; G39-E41 VanDerWaalsContact C-N 3.27Å; G39-E41 PolarHBondContact O-N 2.77Å
40	L	68.1	Low	62.9	Low	7 Å²	7	96.9 Å²	96.9	4%	0.037	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	-72.6	-19.7	174.8	-69.6	-177.2	0	0	0	113.7	F36 T37 N42 I43 I44 M590 Y598	F36-L40 HydrophobicContact CD1-CD1 3.83Å; F36-L40 HydrophobicContact CE1-CD1 3.62Å; F36-L40 HydrophobicContact CG-CD1 4.42Å; F36-L40 HydrophobicContact CZ-CD1 4.04Å; F36-L40 WeakPolarHBondContact O-CD1 3.39Å; F36-L40 WeakPolarHBondContact O-CG 3.5Å; T37-L40 PolarHBondContact O-N 2.9Å; L40-N42 PolarHBondContact O-N 3.38Å; L40-N42 VanDerWaalsContact O-N 3.14Å; L40-I43 HydrophobicContact CD2-CD1 4.14Å; L40-I43 PolarHBondContact O-N 2.84Å; L40-I44 HydrophobicContact CB-CD1 4.03Å; L40-I44 HydrophobicContact CD1-CD1 4.42Å; L40-I44 PolarHBondContact O-N 3.43Å; L40-M590 HydrophobicContact CD1-CE 3.36Å; L40-M590 HydrophobicContact CD2-CE 3.56Å; L40-M590 HydrophobicContact CD2-SD 4.33Å; L40-M590 HydrophobicContact CG-CE 4.06Å; L40-Y598 HydrophobicContact CD2-CE1 4.04Å; L40-Y598 WeakPolarHBondContact CD2-OH 3.03Å
41	E	66.6	Low	65.4	Low	169 Å²	169	94.7 Å²	94.7	79%	0.79	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-56.9	-30.5	-178.9	-60.5	-172.7	176.7	0	0	112.6	G39	G39-E41 VanDerWaalsContact C-N 3.27Å; G39-E41 PolarHBondContact O-N 2.77Å
42	N	71.5	Confident	67.3	Low	158 Å²	158	94.2 Å²	94.2	85%	0.845	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-82.1	-13.7	177.3	-65.5	-36.2	0	0	0	113.7	L40	L40-N42 PolarHBondContact O-N 3.38Å; L40-N42 VanDerWaalsContact O-N 3.14Å
43	I	75.7	Confident	69.8	Low	57 Å²	57	84 Å²	84	29%	0.292	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-32.6	-177.2	-62.6	174.6	0	0	0	110.8	L40 E45 P591 L594	L40-I43 HydrophobicContact CD2-CD1 4.14Å; L40-I43 PolarHBondContact O-N 2.84Å; I43-E45 PolarHBondContact O-N 2.9Å; I43-P591 HydrophobicContact CG2-CG 4.15Å; I43-L594 HydrophobicContact CG2-CD1 3.5Å; I43-L594 VanDerWaalsContact CG2-CD1 3.5Å
44	I	78.1	Confident	72.2	Confident	24 Å²	24	82.6 Å²	82.6	12%	0.123	45%	0.449	C	S	.	.			trans	-93.1	103.9	-174	-63.5	172	0	0	0	109.8	L40 L586 M590	L40-I44 HydrophobicContact CB-CD1 4.03Å; L40-I44 HydrophobicContact CD1-CD1 4.42Å; L40-I44 PolarHBondContact O-N 3.43Å; I44-L586 HydrophobicContact CD1-CB 4.36Å; I44-L586 HydrophobicContact CD1-CD2 3.44Å; I44-L586 VanDerWaalsContact CD1-CD2 3.44Å; I44-M590 HydrophobicContact CD1-SD 4.36Å; I44-M590 HydrophobicContact CG1-SD 4.4Å
45	E	71.9	Confident	74.4	Confident	189 Å²	189	79.8 Å²	79.8	88%	0.883	43%	0.434	S	S	*	.	S	Bend	trans	-74.1	-30.2	178.4	-65.1	179	175.2	0	0	113.1	I43	I43-E45 PolarHBondContact O-N 2.9Å
46	T	79.4	Confident	76.1	Confident	114 Å²	114	84 Å²	84	70%	0.699	44%	0.442	S	S	*	.	S	Bend	trans	-147.2	117.9	179.9	-58.4	0	0	0	0	110.1
47	K	82.1	Confident	77.6	Confident	98 Å²	98	82.6 Å²	82.6	43%	0.426	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-77.2	129.9	175.6	-164.7	175.7	-179.9	-179.6	0	109.6	E582 A585 S589	K47-E582 IonicContact NZ-OE2 2.9Å; K47-E582 PolarHBondContact NZ-OE2 2.9Å; K47-E582 VanDerWaalsContact NZ-OE2 3.09Å; K47-A585 HydrophobicContact CG-CB 4.24Å; K47-S589 WeakPolarHBondContact CA-OG 3.05Å
48	V	86.3	Confident	79	Confident	15 Å²	15	80.9 Å²	80.9	9%	0.091	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-62	132.6	170.2	177.6	0	0	0	0	108.5	D52 V53 A585 F588 S589	V48-D52 HydrophobicContact CG1-CB 3.45Å; V48-D52 VanDerWaalsContact CG1-CB 3.45Å; V48-V53 HydrophobicContact CG1-CG2 4.08Å; V48-A585 WeakPolarHBondContact O-CB 3.47Å; V48-F588 HydrophobicContact CB-CB 4.32Å; V48-F588 HydrophobicContact CG1-CB 4.43Å; V48-F588 HydrophobicContact CG2-CB 4.03Å; V48-F588 WeakPolarHBondContact CG2-O 3.44Å; V48-S589 PolarHBondContact N-OG 2.88Å
49	S	86.6	Confident	79.7	Confident	49 Å²	49	75.7 Å²	75.7	34%	0.343	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-68.4	156.7	178.7	74.7	0	0	0	0	111.3	T51 D52 V53	S49-T51 PolarHBondContact O-N 3.14Å; S49-D52 WeakPolarHBondContact O-CB 3.44Å; S49-D52 PolarHBondContact O-N 2.91Å; S49-D52 WeakPolarHBondContact OG-CB 3.38Å; S49-D52 PolarHBondContact OG-N 3.28Å; S49-D52 VanDerWaalsContact OG-N 3.08Å; S49-D52 PolarHBondContact OG-OD2 3.07Å; S49-V53 WeakPolarHBondContact O-CG2 3.43Å; S49-V53 PolarHBondContact O-N 3.14Å
50	E	82.7	Confident	80.3	Confident	122 Å²	122	75.6 Å²	75.6	57%	0.57	39%	0.39	S	S	*	.	H	α-helix	trans	-58.7	-35.9	174.3	177.3	170.7	-153.4	0	0	112.4	D52 V53 S54 S581	E50-D52 VanDerWaalsContact C-N 3.32Å; E50-D52 PolarHBondContact O-N 3.22Å; E50-V53 WeakPolarHBondContact O-CB 3.49Å; E50-V53 PolarHBondContact O-N 3.07Å; E50-S54 PolarHBondContact O-N 2.95Å; E50-S581 VanDerWaalsContact OE1-CB 3.27Å; E50-S581 WeakPolarHBondContact OE1-CB 3.25Å; E50-S581 PolarHBondContact OE1-OG 3.08Å
51	T	84.4	Confident	81	Confident	111 Å²	111	75.2 Å²	75.2	68%	0.681	39%	0.388	S	S	*	.	H	α-helix	trans	-63.5	-41.3	175.4	-54.4	0	0	0	0	110.8	S49 S54 K55	S49-T51 PolarHBondContact O-N 3.14Å; T51-S54 PolarHBondContact O-N 3.25Å; T51-K55 WeakPolarHBondContact O-CB 3.32Å; T51-K55 PolarHBondContact O-N 3Å
52	D	86.5	Confident	82	Confident	73 Å²	73	67.6 Å²	67.6	39%	0.39	35%	0.353	S	S	.	.	H	α-helix	trans	-69.9	-33.8	176	-67.7	-44.9	0	0	0	112.6	V48 S49 E50 K55 R56	V48-D52 HydrophobicContact CG1-CB 3.45Å; V48-D52 VanDerWaalsContact CG1-CB 3.45Å; S49-D52 WeakPolarHBondContact O-CB 3.44Å; S49-D52 PolarHBondContact O-N 2.91Å; S49-D52 WeakPolarHBondContact OG-CB 3.38Å; S49-D52 PolarHBondContact OG-N 3.28Å; S49-D52 VanDerWaalsContact OG-N 3.08Å; S49-D52 PolarHBondContact OG-OD2 3.07Å; E50-D52 VanDerWaalsContact C-N 3.32Å; E50-D52 PolarHBondContact O-N 3.22Å; D52-K55 PolarHBondContact O-N 2.92Å; D52-R56 WeakPolarHBondContact O-CB 3.19Å; D52-R56 VanDerWaalsContact O-CG 3.25Å; D52-R56 WeakPolarHBondContact O-CG 3.35Å; D52-R56 PolarHBondContact O-N 3.23Å
53	V	88.2	Confident	82.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-58.5	-53.9	172	168.4	0	0	0	0	110	V48 S49 E50 K55 R56 I57 I584 A585 F588	V48-V53 HydrophobicContact CG1-CG2 4.08Å; S49-V53 WeakPolarHBondContact O-CG2 3.43Å; S49-V53 PolarHBondContact O-N 3.14Å; E50-V53 WeakPolarHBondContact O-CB 3.49Å; E50-V53 PolarHBondContact O-N 3.07Å; V53-K55 VanDerWaalsContact C-N 3.29Å; V53-K55 PolarHBondContact O-N 2.62Å; V53-R56 PolarHBondContact O-N 2.92Å; V53-R56 VanDerWaalsContact O-N 3.14Å; V53-I57 HydrophobicContact CG1-CD1 4.03Å; V53-I57 PolarHBondContact O-N 3.25Å; V53-I584 HydrophobicContact CG1-CB 4.02Å; V53-I584 HydrophobicContact CG1-CG2 3.41Å; V53-I584 VanDerWaalsContact CG1-CG2 3.41Å; V53-I584 HydrophobicContact CG2-CG2 4.49Å; V53-A585 HydrophobicContact CG2-CB 3.7Å; V53-F588 HydrophobicContact CB-CD2 4.43Å; V53-F588 HydrophobicContact CG1-CD2 4.41Å; V53-F588 HydrophobicContact CG1-CE2 4.18Å; V53-F588 HydrophobicContact CG2-CD2 4.06Å
54	S	87.3	Confident	83.4	Confident	40 Å²	40	59.6 Å²	59.6	28%	0.28	31%	0.309	S	S	.	.	H	α-helix	trans	-62	-38.7	179.7	-75.8	0	0	0	0	111.7	E50 T51 I57 S58 R571	E50-S54 PolarHBondContact O-N 2.95Å; T51-S54 PolarHBondContact O-N 3.25Å; S54-I57 PolarHBondContact O-N 3.1Å; S54-S58 WeakPolarHBondContact O-CB 3.46Å; S54-S58 PolarHBondContact O-N 2.67Å; S54-S58 PolarHBondContact O-OG 3.46Å; S54-R571 PolarHBondContact OG-NH2 2.78Å; S54-R571 VanDerWaalsContact OG-NH2 3.08Å
55	K	85.2	Confident	83.7	Confident	145 Å²	145	63.1 Å²	63.1	63%	0.63	32%	0.324	S	S	*	.	H	α-helix	trans	-62.9	-41.1	173.8	-172.3	178.7	-179.4	178.4	0	112.8	T51 D52 V53 G59	T51-K55 WeakPolarHBondContact O-CB 3.32Å; T51-K55 PolarHBondContact O-N 3Å; D52-K55 PolarHBondContact O-N 2.92Å; V53-K55 VanDerWaalsContact C-N 3.29Å; V53-K55 PolarHBondContact O-N 2.62Å; K55-G59 WeakPolarHBondContact O-CA 3.47Å; K55-G59 PolarHBondContact O-N 3.4Å
56	R	85.5	Confident	84	Confident	110 Å²	110	54.5 Å²	54.5	42%	0.415	29%	0.285	S	S	.	.	H	α-helix	trans	-68.4	-37	179.1	-76.1	178.8	-172.3	-163.6	9.3	112.7	D52 V53 F588	D52-R56 WeakPolarHBondContact O-CB 3.19Å; D52-R56 VanDerWaalsContact O-CG 3.25Å; D52-R56 WeakPolarHBondContact O-CG 3.35Å; D52-R56 PolarHBondContact O-N 3.23Å; V53-R56 PolarHBondContact O-N 2.92Å; V53-R56 VanDerWaalsContact O-N 3.14Å; R56-F588 HydrophobicContact CB-CD2 4.24Å; R56-F588 HydrophobicContact CB-CE2 3.83Å; R56-F588 HydrophobicContact CB-CZ 4.47Å; R56-F588 PolarHBondContact NH1-O 3.26Å; R56-F588 VanDerWaalsContact NH1-O 3.13Å
57	I	87.7	Confident	83.5	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-76.8	-46.8	178	-65.5	175	0	0	0	111.1	V53 S54 G59 N76 V78 I570 R571 I584 F588	V53-I57 HydrophobicContact CG1-CD1 4.03Å; V53-I57 PolarHBondContact O-N 3.25Å; S54-I57 PolarHBondContact O-N 3.1Å; I57-G59 VanDerWaalsContact C-N 3.31Å; I57-G59 PolarHBondContact O-N 2.79Å; I57-N76 PolarHBondContact O-ND2 3.09Å; I57-N76 PolarHBondContact O-OD1 2.69Å; I57-V78 HydrophobicContact CG1-CG1 4.15Å; I57-I570 HydrophobicContact CD1-CG2 4.25Å; I57-I570 HydrophobicContact CG1-CG2 4.29Å; I57-I570 HydrophobicContact CG2-CG2 4.5Å; I57-R571 HydrophobicContact CD1-CG 3.82Å; I57-I584 HydrophobicContact CD1-CG2 4Å; I57-F588 HydrophobicContact CD1-CE2 4.32Å; I57-F588 HydrophobicContact CD1-CZ 4.39Å; I57-F588 HydrophobicContact CG1-CE2 3.95Å; I57-F588 HydrophobicContact CG1-CZ 3.94Å
58	S	82.5	Confident	82.7	Confident	37 Å²	37	58.5 Å²	58.5	26%	0.259	30%	0.298	S	S	.	.	H	α-helix	trans	-73.1	-23.2	-179.9	57.5	0	0	0	0	113.2	S54 Q60 E61 T189	S54-S58 WeakPolarHBondContact O-CB 3.46Å; S54-S58 PolarHBondContact O-N 2.67Å; S54-S58 PolarHBondContact O-OG 3.46Å; S58-Q60 PolarHBondContact O-N 2.92Å; S58-Q60 VanDerWaalsContact O-N 3.12Å; S58-E61 PolarHBondContact O-N 3.25Å; S58-T189 PolarHBondContact O-OG1 2.97Å
59	G	75.2	Confident	81.4	Confident	19 Å²	19	58.8 Å²	58.8	20%	0.196	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.1	-177	0	0	0	0	0	115.2	K55 I57	K55-G59 WeakPolarHBondContact O-CA 3.47Å; K55-G59 PolarHBondContact O-N 3.4Å; I57-G59 VanDerWaalsContact C-N 3.31Å; I57-G59 PolarHBondContact O-N 2.79Å
60	Q	74.2	Confident	80.4	Confident	49 Å²	49	62.3 Å²	62.3	23%	0.229	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	9.1	-178.6	-58	-167	31.4	0	0	113.2	S58 Q77	S58-Q60 PolarHBondContact O-N 2.92Å; S58-Q60 VanDerWaalsContact O-N 3.12Å; Q60-Q77 WeakPolarHBondContact CB-O 3.4Å; Q60-Q77 VanDerWaalsContact CD-O 3.26Å; Q60-Q77 PolarHBondContact OE1-O 3.34Å
61	E	84.2	Confident	80.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.288	C	S	.	.			trans	-79.6	133.6	-178.2	168.8	-172.7	-108.9	0	0	110.9	S58 N76 V188 T189 G562 T564 S567	S58-E61 PolarHBondContact O-N 3.25Å; E61-N76 HydrophobicContact CB-CB 4.48Å; E61-V188 WeakPolarHBondContact O-CA 3.48Å; E61-T189 VanDerWaalsContact CB-OG1 3.27Å; E61-T189 WeakPolarHBondContact CB-OG1 3.35Å; E61-T189 HydrophobicContact CG-CG2 4.13Å; E61-T189 PolarHBondContact O-N 3.09Å; E61-T189 VanDerWaalsContact OE2-CB 3.28Å; E61-T189 WeakPolarHBondContact OE2-CB 3.18Å; E61-T189 WeakPolarHBondContact OE2-CG2 3.46Å; E61-T189 PolarHBondContact OE2-OG1 2.81Å; E61-G562 WeakPolarHBondContact OE2-CA 3.42Å; E61-T564 VanDerWaalsContact CD-CG2 3.42Å; E61-T564 HydrophobicContact CG-CG2 3.69Å; E61-T564 WeakPolarHBondContact OE1-CB 3.41Å; E61-T564 WeakPolarHBondContact OE1-CG2 3.41Å; E61-T564 PolarHBondContact OE1-N 2.9Å; E61-T564 PolarHBondContact OE1-OG1 3.43Å; E61-S567 VanDerWaalsContact CD-OG 3.28Å; E61-S567 VanDerWaalsContact OE1-CB 3.25Å; E61-S567 WeakPolarHBondContact OE1-CB 3.49Å; E61-S567 PolarHBondContact OE1-OG 3.13Å
62	L	87.6	Confident	80.5	Confident	9 Å²	9	52.5 Å²	52.5	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.8	174.6	-179.7	138.8	0	0	0	109.8	F73 S74 A75 W88 W181 V187 V188	L62-F73 HydrophobicContact CD2-CD2 4.38Å; L62-F73 HydrophobicContact CD2-CE2 3.49Å; L62-F73 VanDerWaalsContact CD2-CE2 3.49Å; L62-F73 HydrophobicContact CD2-CZ 3.74Å; L62-S74 CarbonylContact O-C 3.54Å; L62-S74 WeakPolarHBondContact O-CA 3.5Å; L62-A75 PolarHBondContact N-O 2.95Å; L62-A75 PolarHBondContact O-N 3.39Å; L62-W88 HydrophobicContact CB-CH2 4.39Å; L62-W88 HydrophobicContact CB-CZ2 4.23Å; L62-W88 HydrophobicContact CD1-CH2 3.99Å; L62-W88 HydrophobicContact CD1-CZ2 4.3Å; L62-W88 HydrophobicContact CD2-CH2 3.9Å; L62-W88 HydrophobicContact CG-CH2 4.31Å; L62-W181 HydrophobicContact CD1-CB 3.35Å; L62-W181 HydrophobicContact CD1-CG 4.29Å; L62-V187 WeakPolarHBondContact CA-O 3.49Å; L62-V188 HydrophobicContact CD1-CG2 4.11Å
63	T	88.6	Confident	80.9	Confident	21 Å²	21	49 Å²	49	13%	0.129	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	139.7	166.2	-57.5	0	0	0	0	109	A186 V187 T564	T63-A186 WeakPolarHBondContact O-CA 3.4Å; T63-V187 PolarHBondContact N-O 3.01Å; T63-V187 PolarHBondContact O-N 3.44Å; T63-T564 WeakPolarHBondContact OG1-CG2 3.48Å
64	Y	87.3	Confident	81.1	Confident	25 Å²	25	49.3 Å²	49.3	10%	0.098	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.5	174	173.3	-99.2	0	0	0	110.9	G66 V71 I72 F73 L180 T183 G185 A186	Y64-G66 WeakPolarHBondContact OH-CA 3.49Å; Y64-V71 HydrophobicContact CD1-CG1 4.32Å; Y64-V71 HydrophobicContact CE1-CB 4.23Å; Y64-V71 HydrophobicContact CE1-CG1 4.17Å; Y64-I72 WeakPolarHBondContact O-CA 3.43Å; Y64-F73 AromaticContact CD1-CD1 3.52Å; Y64-F73 HydrophobicContact CD1-CD1 3.52Å; Y64-F73 AromaticContact CD1-CE1 3.37Å; Y64-F73 HydrophobicContact CD1-CE1 3.37Å; Y64-F73 HydrophobicContact CD1-CZ 4.49Å; Y64-F73 HydrophobicContact CE1-CE1 4.33Å; Y64-F73 AromaticContact CG-CD1 3.92Å; Y64-F73 HydrophobicContact CG-CD1 3.92Å; Y64-F73 AromaticContact CG-CE1 3.45Å; Y64-F73 HydrophobicContact CG-CE1 3.45Å; Y64-F73 VanDerWaalsContact CG-CE1 3.45Å; Y64-F73 HydrophobicContact CG-CZ 4.19Å; Y64-F73 PolarHBondContact N-O 3.19Å; Y64-F73 PolarHBondContact O-N 3.35Å; Y64-F73 VanDerWaalsContact O-N 3.1Å; Y64-L180 HydrophobicContact CD1-CD1 4.24Å; Y64-L180 HydrophobicContact CD2-CB 4.39Å; Y64-L180 HydrophobicContact CE1-CD1 3.92Å; Y64-L180 HydrophobicContact CE1-CD2 4.21Å; Y64-L180 HydrophobicContact CE1-CG 4.46Å; Y64-L180 HydrophobicContact CE2-CB 4.34Å; Y64-L180 HydrophobicContact CE2-CD2 4.46Å; Y64-T183 WeakPolarHBondContact CE2-OG1 3.15Å; Y64-G185 WeakPolarHBondContact CA-O 3.48Å; Y64-G185 VanDerWaalsContact CD2-C 3.49Å; Y64-A186 HydrophobicContact CD2-CB 4.07Å
65	K	84.5	Confident	81.4	Confident	99 Å²	99	47.4 Å²	47.4	43%	0.43	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	112.4	170.4	-177.7	-178.7	-173.2	160.9	0	109.6	I72 G185 S558	K65-I72 HydrophobicContact CG-CG1 4.38Å; K65-G185 PolarHBondContact N-O 3.01Å; K65-G185 VanDerWaalsContact O-CA 3.32Å; K65-G185 WeakPolarHBondContact O-CA 3.5Å; K65-S558 PolarHBondContact NZ-OG 3Å; K65-S558 VanDerWaalsContact NZ-OG 3.09Å
66	G	78.4	Confident	81.8	Confident	7 Å²	7	40.5 Å²	40.5	7%	0.072	20%	0.197	C	C	.	.			trans	-63.1	155.3	173.2	0	0	0	0	0	112.7	Y64 N68 G69 V71	Y64-G66 WeakPolarHBondContact OH-CA 3.49Å; G66-N68 PolarHBondContact O-N 3.16Å; G66-G69 PolarHBondContact O-N 3.28Å; G66-V71 PolarHBondContact N-O 2.79Å
67	K	69.1	Low	82	Confident	197 Å²	197	36 Å²	36	86%	0.857	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-30.6	-175.2	-71.6	-177.6	178.6	176	0	114.8
68	N	63.9	Low	82.1	Confident	99 Å²	99	36.1 Å²	36.1	53%	0.529	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	16.2	-178.7	-62	-4.9	0	0	0	112.9	G66 R70	G66-N68 PolarHBondContact O-N 3.16Å; N68-R70 HydrophobicContact CB-CB 4.5Å; N68-R70 HydrophobicContact CB-CG 3.71Å; N68-R70 VanDerWaalsContact ND2-CZ 3.29Å; N68-R70 PolarHBondContact ND2-NE 3.04Å; N68-R70 PolarHBondContact O-N 3.36Å
69	G	60.1	Low	82.4	Confident	21 Å²	21	36.1 Å²	36.1	22%	0.216	18%	0.182	C	C	.	.	S	Bend	trans	66.8	-4.7	-173	0	0	0	0	0	115	G66 V71	G66-G69 PolarHBondContact O-N 3.28Å; G69-V71 PolarHBondContact O-N 3.14Å; G69-V71 VanDerWaalsContact O-N 3.08Å
70	R	66.3	Low	82.8	Confident	123 Å²	123	36 Å²	36	46%	0.464	18%	0.178	S	C	.	.	S	Bend	trans	-60	-21.3	-173.3	-72.7	173.2	179.9	-173.2	-2.8	115.9	N68	N68-R70 HydrophobicContact CB-CB 4.5Å; N68-R70 HydrophobicContact CB-CG 3.71Å; N68-R70 VanDerWaalsContact ND2-CZ 3.29Å; N68-R70 PolarHBondContact ND2-NE 3.04Å; N68-R70 PolarHBondContact O-N 3.36Å
71	V	79.1	Confident	82.7	Confident	19 Å²	19	34.6 Å²	34.6	12%	0.115	17%	0.171	C	C	.	.			trans	-141.6	116.9	174.4	178.4	0	0	0	0	106.3	Y64 G66 G69 F73 F121	Y64-V71 HydrophobicContact CD1-CG1 4.32Å; Y64-V71 HydrophobicContact CE1-CB 4.23Å; Y64-V71 HydrophobicContact CE1-CG1 4.17Å; G66-V71 PolarHBondContact N-O 2.79Å; G69-V71 PolarHBondContact O-N 3.14Å; G69-V71 VanDerWaalsContact O-N 3.08Å; V71-F73 HydrophobicContact CG1-CD1 4.28Å; V71-F121 HydrophobicContact CG1-CZ 3.78Å
72	I	90	Very high	82.2	Confident	8 Å²	8	44.6 Å²	44.6	4%	0.041	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.7	172.4	-63.4	166.2	0	0	0	106.5	Y64 K65 P557 Y608 F613	Y64-I72 WeakPolarHBondContact O-CA 3.43Å; K65-I72 HydrophobicContact CG-CG1 4.38Å; I72-P557 HydrophobicContact CG2-CG 4.27Å; I72-Y608 HydrophobicContact CG2-CD2 4.19Å; I72-Y608 PolarHBondContact O-N 2.94Å; I72-F613 HydrophobicContact CD1-CE1 4.18Å; I72-F613 HydrophobicContact CD1-CE2 4.02Å; I72-F613 HydrophobicContact CD1-CZ 3.63Å
73	F	93.6	Very high	81.8	Confident	1 Å²	1	46.5 Å²	46.5	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	158.4	173.4	79.2	-93.1	0	0	0	111.2	L62 Y64 V71 A75 W88 A90 F121 L180 I605 V606 V607	L62-F73 HydrophobicContact CD2-CD2 4.38Å; L62-F73 HydrophobicContact CD2-CE2 3.49Å; L62-F73 VanDerWaalsContact CD2-CE2 3.49Å; L62-F73 HydrophobicContact CD2-CZ 3.74Å; Y64-F73 AromaticContact CD1-CD1 3.52Å; Y64-F73 HydrophobicContact CD1-CD1 3.52Å; Y64-F73 AromaticContact CD1-CE1 3.37Å; Y64-F73 HydrophobicContact CD1-CE1 3.37Å; Y64-F73 HydrophobicContact CD1-CZ 4.49Å; Y64-F73 HydrophobicContact CE1-CE1 4.33Å; Y64-F73 AromaticContact CG-CD1 3.92Å; Y64-F73 HydrophobicContact CG-CD1 3.92Å; Y64-F73 AromaticContact CG-CE1 3.45Å; Y64-F73 HydrophobicContact CG-CE1 3.45Å; Y64-F73 VanDerWaalsContact CG-CE1 3.45Å; Y64-F73 HydrophobicContact CG-CZ 4.19Å; Y64-F73 PolarHBondContact N-O 3.19Å; Y64-F73 PolarHBondContact O-N 3.35Å; Y64-F73 VanDerWaalsContact O-N 3.1Å; V71-F73 HydrophobicContact CG1-CD1 4.28Å; F73-A75 HydrophobicContact CD2-CB 4.42Å; F73-A75 HydrophobicContact CE2-CB 4.21Å; F73-W88 HydrophobicContact CE2-CH2 4.23Å; F73-W88 AromaticContact CE2-CZ3 3.9Å; F73-W88 HydrophobicContact CE2-CZ3 3.9Å; F73-W88 HydrophobicContact CZ-CZ3 4.27Å; F73-A90 HydrophobicContact CE1-CB 3.91Å; F73-A90 HydrophobicContact CE2-CB 4.03Å; F73-A90 HydrophobicContact CZ-CB 3.5Å; F73-F121 HydrophobicContact CB-CE1 4.17Å; F73-F121 AromaticContact CD1-CE1 3.56Å; F73-F121 HydrophobicContact CD1-CE1 3.56Å; F73-F121 HydrophobicContact CD1-CZ 4.13Å; F73-F121 HydrophobicContact CD2-CE1 4.35Å; F73-F121 AromaticContact CE1-CE1 3.96Å; F73-F121 HydrophobicContact CE1-CE1 3.96Å; F73-F121 AromaticContact CG-CE1 3.79Å; F73-F121 HydrophobicContact CG-CE1 3.79Å; F73-L180 HydrophobicContact CD1-CD1 4.43Å; F73-L180 HydrophobicContact CE1-CB 4.07Å; F73-L180 HydrophobicContact CE1-CD1 3.74Å; F73-L180 HydrophobicContact CZ-CB 4.39Å; F73-I605 HydrophobicContact CD2-CG2 3.96Å; F73-V606 CarbonylContact C-O 3.56Å; F73-V606 WeakPolarHBondContact CA-O 3.45Å; F73-V606 WeakPolarHBondContact CB-O 3.47Å; F73-V607 HydrophobicContact CB-CB 4.32Å; F73-V607 HydrophobicContact CB-CG1 4.44Å; F73-V607 HydrophobicContact CB-CG2 4Å
74	S	93.7	Very high	81.7	Confident	5 Å²	5	46.3 Å²	46.3	4%	0.035	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142.6	166.5	59	0	0	0	0	109.7	L62 T564 A566 I605 V606	L62-S74 CarbonylContact O-C 3.54Å; L62-S74 WeakPolarHBondContact O-CA 3.5Å; S74-T564 VanDerWaalsContact CB-CB 3.49Å; S74-A566 PolarHBondContact OG-N 3.15Å; S74-I605 WeakPolarHBondContact O-CA 3.13Å; S74-V606 PolarHBondContact N-O 3.16Å; S74-V606 PolarHBondContact O-N 2.87Å
75	A	93.3	Very high	81.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	145.5	173.8	0	0	0	0	0	110	L62 F73 W88 V604 I605	L62-A75 PolarHBondContact N-O 2.95Å; L62-A75 PolarHBondContact O-N 3.39Å; F73-A75 HydrophobicContact CD2-CB 4.42Å; F73-A75 HydrophobicContact CE2-CB 4.21Å; A75-W88 HydrophobicContact CB-CD2 3.81Å; A75-W88 HydrophobicContact CB-CE3 3.92Å; A75-W88 HydrophobicContact CB-CH2 3.82Å; A75-W88 HydrophobicContact CB-CZ2 3.66Å; A75-W88 HydrophobicContact CB-CZ3 3.94Å; A75-V604 CarbonylContact C-O 3.56Å; A75-V604 WeakPolarHBondContact CA-O 3.37Å; A75-I605 HydrophobicContact CB-CG1 4.24Å
76	N	92.7	Very high	82.2	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	154.5	174.7	-161	-3.6	0	0	0	110.6	I57 E61 A566 S567 I570 V604	I57-N76 PolarHBondContact O-ND2 3.09Å; I57-N76 PolarHBondContact O-OD1 2.69Å; E61-N76 HydrophobicContact CB-CB 4.48Å; N76-A566 HydrophobicContact CB-CB 3.8Å; N76-S567 PolarHBondContact ND2-OG 3.41Å; N76-I570 HydrophobicContact CB-CD1 3.67Å; N76-V604 PolarHBondContact N-O 3.31Å; N76-V604 PolarHBondContact O-N 2.9Å
77	Q	90.7	Very high	82.8	Confident	15 Å²	15	41.2 Å²	41.2	7%	0.07	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	135.6	-178.6	173.9	172.9	91.1	0	0	110.7	Q60 V84 D86 I602 T603	Q60-Q77 WeakPolarHBondContact CB-O 3.4Å; Q60-Q77 VanDerWaalsContact CD-O 3.26Å; Q60-Q77 PolarHBondContact OE1-O 3.34Å; Q77-V84 HydrophobicContact CG-CG1 4.46Å; Q77-D86 VanDerWaalsContact NE2-C 3.3Å; Q77-D86 PolarHBondContact NE2-O 3.09Å; Q77-I602 CarbonylContact C-O 3.55Å; Q77-I602 VanDerWaalsContact CA-O 3.24Å; Q77-I602 WeakPolarHBondContact CA-O 3.49Å; Q77-T603 HydrophobicContact CB-CG2 4.41Å; Q77-T603 WeakPolarHBondContact CG-OG1 3.48Å; Q77-T603 PolarHBondContact NE2-OG1 2.96Å
78	V	90.5	Very high	84	Confident	4 Å²	4	33.4 Å²	33.4	2%	0.024	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.8	169.7	-68.6	0	0	0	0	111.2	I57 I570 L574 F588 I602	I57-V78 HydrophobicContact CG1-CG1 4.15Å; V78-I570 HydrophobicContact CB-CG2 4.49Å; V78-I570 HydrophobicContact CG1-CD1 4.25Å; V78-I570 HydrophobicContact CG1-CG2 3.99Å; V78-I570 HydrophobicContact CG2-CD1 4.24Å; V78-I570 HydrophobicContact CG2-CG1 4.49Å; V78-I570 HydrophobicContact CG2-CG2 3.63Å; V78-L574 HydrophobicContact CG2-CD1 4.35Å; V78-F588 HydrophobicContact CB-CE1 4.36Å; V78-F588 HydrophobicContact CB-CZ 4.32Å; V78-F588 HydrophobicContact CG1-CZ 4.09Å; V78-I602 HydrophobicContact CG2-CB 3.76Å; V78-I602 HydrophobicContact CG2-CD1 4.36Å; V78-I602 HydrophobicContact CG2-CG1 4.23Å; V78-I602 PolarHBondContact N-O 2.83Å; V78-I602 PolarHBondContact O-N 3.39Å
79	S	87.5	Confident	85.3	Confident	38 Å²	38	28.9 Å²	28.9	27%	0.266	14%	0.138	S	C	.	.			trans	-87.7	140.9	-175.8	63.4	0	0	0	0	113.4	R599 D601	S79-R599 PolarHBondContact O-NH1 2.98Å; S79-R599 PolarHBondContact O-NH2 2.73Å; S79-D601 WeakPolarHBondContact CA-OD1 3.28Å
80	V	83.9	Confident	86.8	Confident	17 Å²	17	27.9 Å²	27.9	10%	0.103	13%	0.128	C	C	.	.	S	Bend	trans	-97.7	-37.6	154.3	85.1	0	0	0	0	111	A595 R596 R599 D601	V80-A595 HydrophobicContact CG2-CB 3.37Å; V80-R596 HydrophobicContact CG1-CG 4.37Å; V80-R599 HydrophobicContact CB-CG 4.36Å; V80-R599 HydrophobicContact CG2-CG 3.99Å; V80-D601 PolarHBondContact N-OD1 3.49Å
81	N	71	Confident	87.9	Confident	18 Å²	18	22.1 Å²	22.1	10%	0.096	11%	0.106	C	C	.	.	S	Bend	trans	-82.4	150	-174.4	-62.6	-58.8	0	0	0	110.9	P83 V84 E85 R596 D600 D601	N81-P83 VanDerWaalsContact C-C 3.48Å; N81-P83 CarbonylContact C-O 3.58Å; N81-P83 VanDerWaalsContact C-O 3.23Å; N81-P83 WeakPolarHBondContact CB-O 3.38Å; N81-P83 CarbonylContact O-C 3.52Å; N81-V84 PolarHBondContact O-N 3.09Å; N81-E85 HydrophobicContact CB-CG 4.22Å; N81-R596 VanDerWaalsContact CG-NH1 3.33Å; N81-R596 PolarHBondContact ND2-NH1 3.43Å; N81-R596 WeakPolarHBondContact OD1-CD 3.43Å; N81-R596 PolarHBondContact OD1-NH1 3.32Å; N81-D600 PolarHBondContact ND2-OD1 3.27Å; N81-D601 WeakPolarHBondContact CB-OD2 3.5Å; N81-D601 PolarHBondContact N-OD1 3.25Å; N81-D601 PolarHBondContact ND2-OD2 2.8Å
82	R	75.4	Confident	88.3	Confident	211 Å²	211	22.5 Å²	22.5	80%	0.796	11%	0.106	S	C	*	.	S	Bend	trans	-132	99	171.2	-67.1	-171.3	-175	159	2.9	108.5
83	P	79.5	Confident	88.2	Confident	48 Å²	48	22.7 Å²	22.7	31%	0.312	11%	0.107	S	C	.	.	S	Bend	cis	-71.1	155.7	6.7	31.7	-37.2	0	0	0	113.9	N81 H130 W228	N81-P83 VanDerWaalsContact C-C 3.48Å; N81-P83 CarbonylContact C-O 3.58Å; N81-P83 VanDerWaalsContact C-O 3.23Å; N81-P83 WeakPolarHBondContact CB-O 3.38Å; N81-P83 CarbonylContact O-C 3.52Å; P83-H130 HydrophobicContact CB-CB 4.4Å; P83-H130 HydrophobicContact CG-CB 4.22Å; P83-H130 WeakPolarHBondContact CG-ND1 3.28Å; P83-W228 VanDerWaalsContact CA-CH2 3.49Å; P83-W228 HydrophobicContact CB-CE3 4.32Å; P83-W228 HydrophobicContact CB-CH2 2.96Å; P83-W228 HydrophobicContact CB-CZ2 3.68Å; P83-W228 HydrophobicContact CB-CZ3 3.32Å; P83-W228 HydrophobicContact CG-CH2 4.39Å; P83-W228 HydrophobicContact CG-CZ3 4.47Å
84	V	84.7	Confident	87.5	Confident	17 Å²	17	23.4 Å²	23.4	10%	0.103	12%	0.115	C	C	.	.			trans	-62.1	135.9	169.2	-165.2	0	0	0	0	108.4	Q77 N81 R87 H130 W228 D601	Q77-V84 HydrophobicContact CG-CG1 4.46Å; N81-V84 PolarHBondContact O-N 3.09Å; V84-R87 PolarHBondContact O-NH1 3.17Å; V84-R87 PolarHBondContact O-NH2 2.72Å; V84-H130 WeakPolarHBondContact O-CB 2.89Å; V84-W228 HydrophobicContact CB-CZ2 4.36Å; V84-W228 HydrophobicContact CG2-CZ2 4.32Å; V84-D601 HydrophobicContact CG1-CB 4.45Å
85	E	89.4	Confident	86.2	Confident	12 Å²	12	26.6 Å²	26.6	6%	0.056	13%	0.129	C	C	.	.			trans	-97.5	-36.6	-179.5	-56	-171.9	122.2	0	0	111.4	N81 R87 G126 G129 A133 R596 D601	N81-E85 HydrophobicContact CB-CG 4.22Å; E85-R87 PolarHBondContact O-NH1 3.43Å; E85-R87 VanDerWaalsContact O-NH1 3.13Å; E85-G126 WeakPolarHBondContact CB-O 3.27Å; E85-G129 WeakPolarHBondContact OE1-CA 3.13Å; E85-G129 PolarHBondContact OE1-N 3.31Å; E85-A133 WeakPolarHBondContact O-CB 3.5Å; E85-R596 IonicContact OE2-CZ 3.46Å; E85-R596 VanDerWaalsContact OE2-CZ 3.23Å; E85-R596 IonicContact OE2-NH1 2.77Å; E85-R596 PolarHBondContact OE2-NH1 2.72Å; E85-R596 IonicContact OE2-NH2 3.61Å; E85-R596 PolarHBondContact OE2-NH2 3.28Å; E85-D601 PolarHBondContact N-OD2 3.24Å
86	D	93.4	Very high	83.9	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.			trans	-61.4	149.3	176.5	-72	9	0	0	0	114.8	Q77 V124 T530 D601 T603	Q77-D86 VanDerWaalsContact NE2-C 3.3Å; Q77-D86 PolarHBondContact NE2-O 3.09Å; D86-V124 CarbonylContact C-O 3.52Å; D86-V124 WeakPolarHBondContact CA-O 3.46Å; D86-T530 HydrophobicContact CB-CG2 4.42Å; D86-T530 WeakPolarHBondContact OD2-CB 3.47Å; D86-T530 WeakPolarHBondContact OD2-CG2 3.45Å; D86-T530 PolarHBondContact OD2-OG1 3.09Å; D86-D601 HydrophobicContact CB-CB 4.07Å; D86-D601 WeakPolarHBondContact OD1-CB 3.4Å; D86-D601 VanDerWaalsContact OD2-C 3.3Å; D86-D601 WeakPolarHBondContact OD2-CB 3.4Å; D86-T603 WeakPolarHBondContact CB-OG1 3.49Å; D86-T603 WeakPolarHBondContact OD2-CB 3.47Å; D86-T603 PolarHBondContact OD2-N 2.8Å; D86-T603 PolarHBondContact OD2-OG1 2.89Å
87	R	91.4	Very high	81.4	Confident	12 Å²	12	37.5 Å²	37.5	5%	0.045	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	166.4	171.3	-56	-70.3	-178.5	-84.2	0.2	111.2	V84 E85 V124 A133 N137	V84-R87 PolarHBondContact O-NH1 3.17Å; V84-R87 PolarHBondContact O-NH2 2.72Å; E85-R87 PolarHBondContact O-NH1 3.43Å; E85-R87 VanDerWaalsContact O-NH1 3.13Å; R87-V124 HydrophobicContact CB-CB 4.13Å; R87-V124 PolarHBondContact N-O 3.02Å; R87-V124 PolarHBondContact O-N 3.1Å; R87-A133 HydrophobicContact CG-CB 4.23Å; R87-N137 HydrophobicContact CB-CB 3.65Å; R87-N137 VanDerWaalsContact CB-CG 3.44Å; R87-N137 HydrophobicContact CG-CB 3.97Å
88	W	93.2	Very high	78.9	Confident	33 Å²	33	42.9 Å²	42.9	13%	0.125	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	156.4	167.8	68.9	-89.9	0	0	0	111.3	L62 F73 A75 A90 T122 V123 N137 T603 I605	L62-W88 HydrophobicContact CB-CH2 4.39Å; L62-W88 HydrophobicContact CB-CZ2 4.23Å; L62-W88 HydrophobicContact CD1-CH2 3.99Å; L62-W88 HydrophobicContact CD1-CZ2 4.3Å; L62-W88 HydrophobicContact CD2-CH2 3.9Å; L62-W88 HydrophobicContact CG-CH2 4.31Å; F73-W88 HydrophobicContact CE2-CH2 4.23Å; F73-W88 AromaticContact CE2-CZ3 3.9Å; F73-W88 HydrophobicContact CE2-CZ3 3.9Å; F73-W88 HydrophobicContact CZ-CZ3 4.27Å; A75-W88 HydrophobicContact CB-CD2 3.81Å; A75-W88 HydrophobicContact CB-CE3 3.92Å; A75-W88 HydrophobicContact CB-CH2 3.82Å; A75-W88 HydrophobicContact CB-CZ2 3.66Å; A75-W88 HydrophobicContact CB-CZ3 3.94Å; W88-A90 HydrophobicContact CE3-CB 4.49Å; W88-A90 HydrophobicContact CZ3-CB 3.98Å; W88-T122 CarbonylContact C-O 3.53Å; W88-T122 WeakPolarHBondContact CA-O 3.09Å; W88-V123 HydrophobicContact CB-CG1 4.46Å; W88-N137 PolarHBondContact N-OD1 3.08Å; W88-N137 PolarHBondContact O-ND2 3.35Å; W88-N137 PolarHBondContact O-OD1 2.68Å; W88-N137 VanDerWaalsContact O-OD1 3.1Å; W88-T603 HydrophobicContact CB-CG2 3.74Å; W88-T603 HydrophobicContact CG-CG2 4.06Å; W88-I605 HydrophobicContact CB-CD1 4.05Å; W88-I605 HydrophobicContact CB-CG1 4.19Å; W88-I605 HydrophobicContact CE3-CD1 4.13Å; W88-I605 HydrophobicContact CE3-CG1 4.37Å
89	M	92	Very high	76.4	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.025	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	142.5	177.5	-172.3	59.1	75.7	0	0	110.8	S91 F121 T122 N137 L138 T179 P224	M89-S91 VanDerWaalsContact CG-OG 3.3Å; M89-S91 WeakPolarHBondContact CG-OG 3.26Å; M89-F121 WeakPolarHBondContact O-CA 3.44Å; M89-T122 PolarHBondContact N-O 3.3Å; M89-T122 PolarHBondContact O-N 3.43Å; M89-N137 VanDerWaalsContact CE-O 3.22Å; M89-N137 WeakPolarHBondContact CE-O 3.33Å; M89-L138 HydrophobicContact CE-CD2 4.31Å; M89-T179 HydrophobicContact SD-CG2 3.28Å; M89-T179 WeakPolarHBondContact SD-CG2 3.18Å; M89-P224 HydrophobicContact CE-CB 4.01Å
90	A	91.8	Very high	74.2	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	112.9	169.7	0	0	0	0	0	108.7	F73 W88 L120 F121 T179 L180	F73-A90 HydrophobicContact CE1-CB 3.91Å; F73-A90 HydrophobicContact CE2-CB 4.03Å; F73-A90 HydrophobicContact CZ-CB 3.5Å; W88-A90 HydrophobicContact CE3-CB 4.49Å; W88-A90 HydrophobicContact CZ3-CB 3.98Å; A90-L120 CarbonylContact C-O 3.47Å; A90-L120 WeakPolarHBondContact CA-O 3.14Å; A90-F121 HydrophobicContact CB-CD1 3.69Å; A90-F121 HydrophobicContact CB-CE1 3.83Å; A90-T179 WeakPolarHBondContact O-CG2 3.4Å; A90-L180 HydrophobicContact CB-CB 4.4Å; A90-L180 HydrophobicContact CB-CD1 4.31Å; A90-L180 PolarHBondContact O-N 3.47Å
91	S	89.2	Confident	72.1	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	146.6	-169.7	-63.9	0	0	0	0	111.1	M89 T119 L120 V178	M89-S91 VanDerWaalsContact CG-OG 3.3Å; M89-S91 WeakPolarHBondContact CG-OG 3.26Å; S91-T119 CarbonylContact O-C 3.44Å; S91-T119 WeakPolarHBondContact O-CA 3.3Å; S91-T119 WeakPolarHBondContact O-CG2 2.91Å; S91-L120 PolarHBondContact N-O 3.09Å; S91-L120 PolarHBondContact O-N 3.22Å; S91-V178 WeakPolarHBondContact CA-O 3.41Å
92	H	87.8	Confident	70.4	Confident	27 Å²	27	48.5 Å²	48.5	13%	0.125	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143.6	-179.3	-177.8	75.2	0	0	0	111.2	E95 G118 T119 V178 L180	H92-E95 WeakPolarHBondContact NE2-CB 3.39Å; H92-E95 VanDerWaalsContact NE2-CG 3.27Å; H92-E95 WeakPolarHBondContact NE2-CG 3.42Å; H92-E95 IonicContact NE2-OE2 3.68Å; H92-G118 WeakPolarHBondContact CA-O 3.41Å; H92-G118 PolarHBondContact ND1-O 3.31Å; H92-T119 PolarHBondContact ND1-OG1 2.92Å; H92-T119 VanDerWaalsContact ND1-OG1 3.08Å; H92-V178 PolarHBondContact N-O 2.81Å; H92-V178 PolarHBondContact O-N 2.85Å; H92-L180 HydrophobicContact CB-CD2 3.56Å; H92-L180 HydrophobicContact CB-CG 4.15Å
93	F	87.1	Confident	68.9	Low	12 Å²	12	40.4 Å²	40.4	5%	0.053	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	155.8	178.3	73.9	-71.6	0	0	0	111.4	G117 G118 I145 L148 L149 Y369	F93-G117 VanDerWaalsContact CE2-CA 3.48Å; F93-G117 CarbonylContact O-C 3.55Å; F93-G117 WeakPolarHBondContact O-CA 3.5Å; F93-G118 WeakPolarHBondContact CD1-O 3.27Å; F93-G118 PolarHBondContact N-O 2.98Å; F93-G118 PolarHBondContact O-N 3.39Å; F93-I145 HydrophobicContact CB-CD1 4.02Å; F93-I145 HydrophobicContact CD1-CD1 3.87Å; F93-I145 HydrophobicContact CD1-CG1 3.83Å; F93-I145 HydrophobicContact CD2-CG1 4.19Å; F93-I145 HydrophobicContact CD2-CG2 3.68Å; F93-I145 HydrophobicContact CE1-CD1 4.49Å; F93-I145 HydrophobicContact CE1-CG1 3.98Å; F93-I145 HydrophobicContact CE2-CG1 4.31Å; F93-I145 HydrophobicContact CE2-CG2 3.98Å; F93-I145 HydrophobicContact CG-CD1 3.89Å; F93-I145 HydrophobicContact CG-CG1 3.96Å; F93-I145 HydrophobicContact CG-CG2 4.13Å; F93-I145 HydrophobicContact CZ-CG1 4.23Å; F93-L148 HydrophobicContact CE1-CD1 4.44Å; F93-L148 HydrophobicContact CE2-CB 4.31Å; F93-L148 HydrophobicContact CZ-CB 4.16Å; F93-L148 HydrophobicContact CZ-CD1 3.84Å; F93-L149 HydrophobicContact CD2-CD2 4.38Å; F93-L149 HydrophobicContact CE2-CD2 4.48Å; F93-Y369 HydrophobicContact CE1-CD2 4.37Å; F93-Y369 AromaticContact CE1-CE2 3.67Å; F93-Y369 HydrophobicContact CE1-CE2 3.67Å; F93-Y369 AromaticContact CZ-CE2 3.88Å; F93-Y369 HydrophobicContact CZ-CE2 3.88Å
94	G	79.4	Confident	67.1	Low	17 Å²	17	42 Å²	42	18%	0.175	25%	0.245	C	C	.	.	S	Bend	trans	90.1	-6.4	174.8	0	0	0	0	0	117.1	R372	G94-R372 PolarHBondContact O-NH1 3.08Å
95	E	66.5	Low	64.9	Low	71 Å²	71	46.9 Å²	46.9	33%	0.332	27%	0.27	S	S	.	.	S	Bend	trans	-94.3	108.7	164.1	-67.8	-175	175.7	0	0	109.3	H92 D97 R374	H92-E95 WeakPolarHBondContact NE2-CB 3.39Å; H92-E95 VanDerWaalsContact NE2-CG 3.27Å; H92-E95 WeakPolarHBondContact NE2-CG 3.42Å; H92-E95 IonicContact NE2-OE2 3.68Å; E95-D97 PolarHBondContact O-N 3.16Å; E95-R374 IonicContact OE1-NH2 3.8Å
96	G	44.7	Very low	62.7	Low	79 Å²	79	48.1 Å²	48.1	81%	0.814	28%	0.275	S	S	*	.	S	Bend	trans	-55.6	124.1	173.8	0	0	0	0	0	110.2
97	D	40.2	Very low	60.4	Low	150 Å²	150	57.1 Å²	57.1	80%	0.802	31%	0.314	S	S	*	.				-157.5	38.2	88	-135.7	6.2	0	0	0	112.6	E95	E95-D97 PolarHBondContact O-N 3.16Å
98	F	37.4	Very low	58.3	Low	128 Å²	128	63.3 Å²	63.3	56%	0.561	34%	0.343	S	S	*	.			trans	-101.6	129.5	-168.3	-74	-81.9	0	0	0	115.7	S100 V178	F98-S100 PolarHBondContact O-N 3.03Å; F98-V178 HydrophobicContact CB-CG2 3.75Å; F98-V178 HydrophobicContact CD1-CG2 4.11Å; F98-V178 HydrophobicContact CD2-CG2 3.93Å; F98-V178 HydrophobicContact CG-CG2 3.65Å
99	N	38.5	Very low	55.7	Low	105 Å²	105	64.5 Å²	64.5	56%	0.561	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	20.9	174.1	-84.4	-20.8	0	0	0	115.6
100	S	40.8	Very low	53.2	Low	23 Å²	23	72.1 Å²	72.1	16%	0.161	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	110.5	166.1	-155.1	0	0	0	0	107.1	F98 I173 E175	F98-S100 PolarHBondContact O-N 3.03Å; S100-I173 PolarHBondContact OG-O 3.17Å; S100-I173 VanDerWaalsContact OG-O 3.07Å; S100-E175 VanDerWaalsContact CB-O 3.24Å; S100-E175 WeakPolarHBondContact CB-O 3.2Å; S100-E175 PolarHBondContact OG-N 2.54Å; S100-E175 VanDerWaalsContact OG-N 3.17Å; S100-E175 PolarHBondContact OG-O 3.15Å
101	L	41.4	Very low	50.7	Low	4 Å²	4	76.3 Å²	76.3	2%	0.021	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	76.1	-173	-58.3	165.5	0	0	0	112.9	L103 N160 L161 I164 I173 L176	L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 WeakPolarHBondContact O-CG 3.24Å; L101-L103 PolarHBondContact O-N 2.96Å; L101-N160 HydrophobicContact CB-CB 3.83Å; L101-N160 HydrophobicContact CD2-CB 3.32Å; L101-N160 HydrophobicContact CG-CB 4.14Å; L101-N160 PolarHBondContact O-ND2 2.85Å; L101-N160 VanDerWaalsContact O-ND2 3.09Å; L101-L161 HydrophobicContact CD1-CD2 4.12Å; L101-L161 HydrophobicContact CD1-CG 4.23Å; L101-L161 HydrophobicContact CD2-CD2 4.12Å; L101-L161 HydrophobicContact CD2-CG 4.22Å; L101-I164 HydrophobicContact CD2-CD1 3.46Å; L101-I164 VanDerWaalsContact CD2-CD1 3.46Å; L101-I173 PolarHBondContact N-O 3Å; L101-L176 HydrophobicContact CD1-CD2 3.55Å; L101-L176 HydrophobicContact CD1-CG 4.37Å
102	T	35.7	Very low	48.5	Very low	63 Å²	63	80.9 Å²	80.9	39%	0.387	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-11.1	78.9	171.6	43.5	0	0	0	0	115.4	S104 I156 N160	T102-S104 VanDerWaalsContact C-N 3.3Å; T102-I156 WeakPolarHBondContact O-CG2 3.45Å; T102-N160 PolarHBondContact N-ND2 3.29Å; T102-N160 PolarHBondContact O-ND2 2.84Å; T102-N160 PolarHBondContact OG1-ND2 3.41Å; T102-N160 PolarHBondContact OG1-OD1 2.86Å
103	L	43.7	Very low	46.3	Very low	41 Å²	41	88.9 Å²	88.9	22%	0.215	49%	0.492	C	S	.	.			trans	-94.5	5.9	174.4	-91.4	156.8	0	0	0	111.3	L101 D105 Y106 V153 I156	L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 WeakPolarHBondContact O-CG 3.24Å; L101-L103 PolarHBondContact O-N 2.96Å; L103-D105 PolarHBondContact O-N 3.06Å; L103-D105 VanDerWaalsContact O-N 3.12Å; L103-Y106 PolarHBondContact O-N 3.31Å; L103-Y106 VanDerWaalsContact O-N 3.09Å; L103-V153 HydrophobicContact CD1-CG1 4.38Å; L103-V153 HydrophobicContact CD2-CB 4.43Å; L103-V153 HydrophobicContact CD2-CG1 3.45Å; L103-V153 VanDerWaalsContact CD2-CG1 3.45Å; L103-I156 HydrophobicContact CD2-CB 4.05Å; L103-I156 HydrophobicContact CD2-CD1 4.25Å; L103-I156 HydrophobicContact CD2-CG2 3.81Å; L103-I156 HydrophobicContact CG-CG2 4.09Å
104	S	40.3	Very low	44.5	Very low	82 Å²	82	91.6 Å²	91.6	57%	0.573	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-25.3	174	51.6	0	0	0	0	113.7	T102 Y106	T102-S104 VanDerWaalsContact C-N 3.3Å; S104-Y106 PolarHBondContact O-N 3.37Å
105	D	39.3	Very low	43.8	Very low	119 Å²	119	93.2 Å²	93.2	64%	0.636	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-16.6	-179.3	-70.3	-9.2	0	0	0	112.8	L103 K107	L103-D105 PolarHBondContact O-N 3.06Å; L103-D105 VanDerWaalsContact O-N 3.12Å; D105-K107 VanDerWaalsContact C-N 3.28Å; D105-K107 PolarHBondContact O-N 2.82Å
106	Y	43.6	Very low	44.5	Very low	39 Å²	39	91.8 Å²	91.8	15%	0.153	51%	0.511	C	S	.	.			trans	-83.4	74.2	169.9	-158.7	-92.3	0	0	0	110.1	L103 S104 Q108 Y116 K152 V153	L103-Y106 PolarHBondContact O-N 3.31Å; L103-Y106 VanDerWaalsContact O-N 3.09Å; S104-Y106 PolarHBondContact O-N 3.37Å; Y106-Q108 PolarHBondContact O-N 3.25Å; Y106-Y116 HydrophobicContact CD1-CE1 4.4Å; Y106-Y116 HydrophobicContact CE1-CE1 4.45Å; Y106-K152 HydrophobicContact CD2-CD 4.31Å; Y106-K152 HydrophobicContact CD2-CG 4.31Å; Y106-K152 HydrophobicContact CE2-CD 3.91Å; Y106-K152 HydrophobicContact CE2-CG 4.18Å; Y106-V153 HydrophobicContact CD2-CG2 4.38Å
107	K	43.9	Very low	46.5	Very low	188 Å²	188	88.1 Å²	88.1	82%	0.817	47%	0.472	S	S	*	.			trans	-59.5	121.6	161.2	-72.1	-177.8	178.3	178.4	0	107.3	D105 S109	D105-K107 VanDerWaalsContact C-N 3.28Å; D105-K107 PolarHBondContact O-N 2.82Å; K107-S109 PolarHBondContact O-N 2.85Å
108	Q	47	Very low	48.9	Very low	142 Å²	142	81 Å²	81	66%	0.664	44%	0.435	S	S	*	.			trans	-40.3	111.1	173.5	-73.9	173.9	-12	0	0	109	Y106 N110	Y106-Q108 PolarHBondContact O-N 3.25Å; Q108-N110 PolarHBondContact O-N 3.1Å
109	S	39.3	Very low	51.6	Low	58 Å²	58	75.1 Å²	75.1	41%	0.406	41%	0.41	S	S	.	.			trans	-57.4	137.9	149.7	50.5	0	0	0	0	105	K107 D111	K107-S109 PolarHBondContact O-N 2.85Å; S109-D111 PolarHBondContact O-N 2.92Å
110	N	39.4	Very low	54.3	Low	166 Å²	166	70.2 Å²	70.2	89%	0.888	38%	0.383	S	S	*	.	S	Bend	trans	-62.5	17.8	172.5	-83.9	-16.5	0	0	0	112.9	Q108 A112	Q108-N110 PolarHBondContact O-N 3.1Å; N110-A112 VanDerWaalsContact C-N 3.31Å; N110-A112 PolarHBondContact O-N 3.1Å
111	D	40.4	Very low	56.9	Low	88 Å²	88	69.1 Å²	69.1	47%	0.471	38%	0.376	S	S	.	.			trans	-74.6	88.7	172	-131	-23.5	0	0	0	107.8	S109 K113 L114	S109-D111 PolarHBondContact O-N 2.92Å; D111-K113 PolarHBondContact O-N 2.94Å; D111-L114 HydrophobicContact CB-CD1 4.17Å; D111-L114 PolarHBondContact O-N 2.84Å
112	A	42.6	Very low	59.6	Low	96 Å²	96	69 Å²	69	79%	0.793	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-53.1	-18.4	171.3	0	0	0	0	0	112.4	N110 L114	N110-A112 VanDerWaalsContact C-N 3.31Å; N110-A112 PolarHBondContact O-N 3.1Å; A112-L114 VanDerWaalsContact C-N 3.29Å; A112-L114 PolarHBondContact O-N 2.85Å
113	K	41.9	Very low	62.5	Low	195 Å²	195	66 Å²	66	85%	0.848	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-69.1	-15	173.4	-74.8	-174.8	172.9	-172.9	0	114.8	D111	D111-K113 PolarHBondContact O-N 2.94Å
114	L	49.1	Very low	65.1	Low	69 Å²	69	64 Å²	64	36%	0.361	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-102	32.2	-176.2	-103.4	141.6	0	0	0	113.5	D111 A112 Y116 P150	D111-L114 HydrophobicContact CB-CD1 4.17Å; D111-L114 PolarHBondContact O-N 2.84Å; A112-L114 VanDerWaalsContact C-N 3.29Å; A112-L114 PolarHBondContact O-N 2.85Å; L114-Y116 PolarHBondContact O-N 2.85Å; L114-P150 HydrophobicContact CD2-CB 4.29Å; L114-P150 HydrophobicContact CD2-CG 4.28Å
115	A	64.3	Low	67.8	Low	52 Å²	52	60.5 Å²	60.5	43%	0.43	32%	0.321	S	S	.	.			trans	-70.6	74.3	178.9	0	0	0	0	0	112.1
116	Y	80.2	Confident	70.5	Confident	41 Å²	41	54.9 Å²	54.9	16%	0.161	29%	0.291	C	S	.	.			trans	-80.1	163	167.9	81.7	-82	0	0	0	111	Y106 L114 L149 P150 V153	Y106-Y116 HydrophobicContact CD1-CE1 4.4Å; Y106-Y116 HydrophobicContact CE1-CE1 4.45Å; L114-Y116 PolarHBondContact O-N 2.85Å; Y116-L149 HydrophobicContact CD2-CD2 4.4Å; Y116-L149 HydrophobicContact CE2-CD2 4.45Å; Y116-P150 HydrophobicContact CD1-CG 4.12Å; Y116-P150 HydrophobicContact CG-CG 3.92Å; Y116-V153 HydrophobicContact CE1-CG2 4.09Å; Y116-V153 HydrophobicContact CE2-CG1 4.02Å
117	G	88.1	Confident	72.9	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.01	29%	0.29	C	S	.	.			trans	100.5	173.9	-179.8	0	0	0	0	0	113.8	F93 Y369 R372	F93-G117 VanDerWaalsContact CE2-CA 3.48Å; F93-G117 CarbonylContact O-C 3.55Å; F93-G117 WeakPolarHBondContact O-CA 3.5Å; G117-Y369 PolarHBondContact O-OH 2.89Å; G117-R372 WeakPolarHBondContact O-CB 3.44Å; G117-R372 PolarHBondContact O-N 2.83Å
118	G	90.8	Very high	75.1	Confident	2 Å²	2	48 Å²	48	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158	-163.3	-177.4	0	0	0	0	0	111.1	H92 F93 I370	H92-G118 WeakPolarHBondContact CA-O 3.41Å; H92-G118 PolarHBondContact ND1-O 3.31Å; F93-G118 WeakPolarHBondContact CD1-O 3.27Å; F93-G118 PolarHBondContact N-O 2.98Å; F93-G118 PolarHBondContact O-N 3.39Å; G118-I370 CarbonylContact C-O 3.54Å; G118-I370 VanDerWaalsContact CA-O 3.24Å; G118-I370 WeakPolarHBondContact CA-O 3.24Å
119	T	92.6	Very high	77.1	Confident	4 Å²	4	42.3 Å²	42.3	3%	0.025	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.6	-178.1	-54	0	0	0	0	109.7	S91 H92 F121 L180 I370	S91-T119 CarbonylContact O-C 3.44Å; S91-T119 WeakPolarHBondContact O-CA 3.3Å; S91-T119 WeakPolarHBondContact O-CG2 2.91Å; H92-T119 PolarHBondContact ND1-OG1 2.92Å; H92-T119 VanDerWaalsContact ND1-OG1 3.08Å; T119-F121 HydrophobicContact CG2-CD2 4.12Å; T119-F121 HydrophobicContact CG2-CE1 4.14Å; T119-F121 HydrophobicContact CG2-CE2 3.43Å; T119-F121 VanDerWaalsContact CG2-CE2 3.43Å; T119-F121 HydrophobicContact CG2-CZ 3.46Å; T119-F121 VanDerWaalsContact CG2-CZ 3.46Å; T119-L180 HydrophobicContact CG2-CD1 3.74Å; T119-I370 PolarHBondContact N-O 3.08Å; T119-I370 PolarHBondContact O-N 2.77Å
120	L	95.3	Very high	79.5	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.01	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.4	177.2	-173.7	69	0	0	0	109	A90 S91 I144	A90-L120 CarbonylContact C-O 3.47Å; A90-L120 WeakPolarHBondContact CA-O 3.14Å; S91-L120 PolarHBondContact N-O 3.09Å; S91-L120 PolarHBondContact O-N 3.22Å; L120-I144 HydrophobicContact CD1-CD1 4.26Å; L120-I144 HydrophobicContact CD1-CG2 4.46Å; L120-I144 HydrophobicContact CD2-CB 4.38Å; L120-I144 HydrophobicContact CD2-CD1 3.81Å; L120-I144 HydrophobicContact CD2-CG2 4.19Å
121	F	96.9	Very high	82.1	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.4	172.1	-62.1	-82.3	0	0	0	109.1	V71 F73 M89 A90 T119 S367 V368 I370 L528 I605 V607	V71-F121 HydrophobicContact CG1-CZ 3.78Å; F73-F121 HydrophobicContact CB-CE1 4.17Å; F73-F121 AromaticContact CD1-CE1 3.56Å; F73-F121 HydrophobicContact CD1-CE1 3.56Å; F73-F121 HydrophobicContact CD1-CZ 4.13Å; F73-F121 HydrophobicContact CD2-CE1 4.35Å; F73-F121 AromaticContact CE1-CE1 3.96Å; F73-F121 HydrophobicContact CE1-CE1 3.96Å; F73-F121 AromaticContact CG-CE1 3.79Å; F73-F121 HydrophobicContact CG-CE1 3.79Å; M89-F121 WeakPolarHBondContact O-CA 3.44Å; A90-F121 HydrophobicContact CB-CD1 3.69Å; A90-F121 HydrophobicContact CB-CE1 3.83Å; T119-F121 HydrophobicContact CG2-CD2 4.12Å; T119-F121 HydrophobicContact CG2-CE1 4.14Å; T119-F121 HydrophobicContact CG2-CE2 3.43Å; T119-F121 VanDerWaalsContact CG2-CE2 3.43Å; T119-F121 HydrophobicContact CG2-CZ 3.46Å; T119-F121 VanDerWaalsContact CG2-CZ 3.46Å; F121-S367 CarbonylContact O-C 3.53Å; F121-S367 VanDerWaalsContact O-CA 3.23Å; F121-S367 WeakPolarHBondContact O-CA 3.37Å; F121-V368 PolarHBondContact N-O 2.96Å; F121-V368 PolarHBondContact O-N 3.25Å; F121-I370 HydrophobicContact CD2-CD1 4.31Å; F121-I370 HydrophobicContact CE2-CD1 3.93Å; F121-I370 HydrophobicContact CE2-CG1 4.48Å; F121-L528 HydrophobicContact CB-CD2 3.97Å; F121-L528 WeakPolarHBondContact O-CD2 3.43Å; F121-I605 HydrophobicContact CB-CD1 4.29Å; F121-I605 HydrophobicContact CD1-CG2 4.04Å; F121-V607 HydrophobicContact CD1-CG2 3.74Å; F121-V607 HydrophobicContact CD2-CG1 4.49Å; F121-V607 HydrophobicContact CD2-CG2 3.85Å; F121-V607 HydrophobicContact CE1-CG2 3.72Å; F121-V607 HydrophobicContact CE2-CB 4.45Å; F121-V607 HydrophobicContact CE2-CG1 3.77Å; F121-V607 HydrophobicContact CE2-CG2 3.83Å; F121-V607 HydrophobicContact CG-CG2 3.79Å; F121-V607 HydrophobicContact CZ-CB 4.45Å; F121-V607 HydrophobicContact CZ-CG1 3.77Å; F121-V607 HydrophobicContact CZ-CG2 3.75Å
122	T	97.4	Very high	84.8	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	131.7	-176.8	-60.2	0	0	0	0	110.3	W88 M89 V124 H140 A365 T366 S367	W88-T122 CarbonylContact C-O 3.53Å; W88-T122 WeakPolarHBondContact CA-O 3.09Å; M89-T122 PolarHBondContact N-O 3.3Å; M89-T122 PolarHBondContact O-N 3.43Å; T122-V124 HydrophobicContact CG2-CG2 3.87Å; T122-H140 PolarHBondContact OG1-NE2 3.03Å; T122-A365 HydrophobicContact CG2-CB 4.21Å; T122-T366 WeakPolarHBondContact CA-O 3.44Å; T122-S367 VanDerWaalsContact CG2-OG 3.31Å; T122-S367 WeakPolarHBondContact CG2-OG 3.4Å; T122-S367 WeakPolarHBondContact OG1-CB 3.32Å; T122-S367 PolarHBondContact OG1-OG 3.06Å
123	V	97.4	Very high	87.3	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	142.8	162.8	-66.5	0	0	0	0	108.5	W88 A365 T366 C385 L528 T530 T603 I605	W88-V123 HydrophobicContact CB-CG1 4.46Å; V123-A365 VanDerWaalsContact O-CA 3.23Å; V123-A365 WeakPolarHBondContact O-CA 3.42Å; V123-T366 PolarHBondContact N-O 2.81Å; V123-T366 PolarHBondContact O-N 3.3Å; V123-C385 HydrophobicContact CG2-CB 4.09Å; V123-L528 HydrophobicContact CG1-CB 3.79Å; V123-L528 HydrophobicContact CG2-CB 4.04Å; V123-T530 HydrophobicContact CB-CG2 4.33Å; V123-T603 HydrophobicContact CG1-CG2 4.47Å; V123-I605 HydrophobicContact CG1-CD1 3.91Å; V123-I605 HydrophobicContact CG1-CG1 3.83Å
124	V	97.6	Very high	89.7	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.1	-179.3	-173.8	0	0	0	0	107.3	D86 R87 T122 A133 V136 N137 C363 V364 A365	D86-V124 CarbonylContact C-O 3.52Å; D86-V124 WeakPolarHBondContact CA-O 3.46Å; R87-V124 HydrophobicContact CB-CB 4.13Å; R87-V124 PolarHBondContact N-O 3.02Å; R87-V124 PolarHBondContact O-N 3.1Å; T122-V124 HydrophobicContact CG2-CG2 3.87Å; V124-A133 HydrophobicContact CG1-CB 3.67Å; V124-V136 HydrophobicContact CG1-CG1 4.38Å; V124-V136 HydrophobicContact CG2-CG1 4.3Å; V124-N137 HydrophobicContact CG2-CB 4.43Å; V124-C363 HydrophobicContact CG1-CB 3.83Å; V124-V364 VanDerWaalsContact CA-O 3.26Å; V124-V364 WeakPolarHBondContact CA-O 3.38Å; V124-V364 VanDerWaalsContact CG1-O 3.3Å; V124-V364 WeakPolarHBondContact CG1-O 3.47Å; V124-A365 HydrophobicContact CG2-CB 4.07Å
125	D	96.5	Very high	91.8	Very high	9 Å²	9	14.9 Å²	14.9	5%	0.048	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.4	168.6	162.3	34.2	0	0	0	108.5	C363 V364 T530	D125-C363 CarbonylContact O-C 3.51Å; D125-C363 WeakPolarHBondContact O-CA 3.39Å; D125-C363 WeakPolarHBondContact O-CB 3.23Å; D125-V364 HydrophobicContact CB-CG2 3.65Å; D125-V364 PolarHBondContact N-O 2.97Å; D125-V364 PolarHBondContact O-N 2.9Å; D125-T530 HydrophobicContact CB-CG2 3.77Å
126	G	96	Very high	93.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	146.8	-175	0	0	0	0	0	112.5	E85	E85-G126 WeakPolarHBondContact CB-O 3.27Å
127	H	93.9	Very high	93.9	Very high	29 Å²	29	11 Å²	11	13%	0.134	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.7	175.4	57.8	-92.7	0	0	0	112	G129 G362 L463 D471	H127-G129 PolarHBondContact O-N 2.93Å; H127-G362 PolarHBondContact N-O 2.92Å; H127-G362 WeakPolarHBondContact NE2-CA 3.31Å; H127-G362 PolarHBondContact O-N 3.48Å; H127-L463 WeakPolarHBondContact NE2-CD1 3.31Å; H127-D471 IonicContact CD2-OD1 3.72Å; H127-D471 IonicContact CD2-OD2 3.62Å; H127-D471 IonicContact CE1-OD2 2.58Å; H127-D471 PolarHBondContact CE1-OD2 3.06Å; H127-D471 IonicContact NE2-OD1 3.97Å; H127-D471 IonicContact NE2-OD2 3.72Å; H127-D471 PolarHBondContact NE2-OD2 2.7Å
128	G	90	Very high	94	Very high	55 Å²	55	12.2 Å²	12.2	57%	0.567	8%	0.084	S	C	*	.	S	Bend	trans	68.2	18.5	-172.5	0	0	0	0	0	113.1
129	G	89.3	Confident	94.1	Very high	22 Å²	22	12.3 Å²	12.3	23%	0.227	8%	0.084	C	C	.	.	S	Bend	trans	115.9	151.1	-175.6	0	0	0	0	0	112.7	E85 H127 A131	E85-G129 WeakPolarHBondContact OE1-CA 3.13Å; E85-G129 PolarHBondContact OE1-N 3.31Å; H127-G129 PolarHBondContact O-N 2.93Å; G129-A131 PolarHBondContact O-N 2.85Å; G129-A131 VanDerWaalsContact O-N 3.14Å
130	H	90.2	Very high	94.2	Very high	57 Å²	57	12.2 Å²	12.2	26%	0.264	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-9.3	-179.7	68.8	-74	0	0	0	116.5	P83 V84 C132 H134 W228	P83-H130 HydrophobicContact CB-CB 4.4Å; P83-H130 HydrophobicContact CG-CB 4.22Å; P83-H130 WeakPolarHBondContact CG-ND1 3.28Å; V84-H130 WeakPolarHBondContact O-CB 2.89Å; H130-C132 PolarHBondContact O-N 3.21Å; H130-H134 WeakPolarHBondContact O-CB 3.37Å; H130-H134 PolarHBondContact O-N 2.55Å; H130-W228 AromaticContact CD2-CE3 4Å; H130-W228 AromaticContact NE2-CE3 3.96Å
131	A	93.5	Very high	94.1	Very high	21 Å²	21	12.6 Å²	12.6	17%	0.174	9%	0.086	C	C	.	.	H	α-helix	trans	-66.5	-41.5	-166.7	0	0	0	0	0	113	G129 A135 R357 I358	G129-A131 PolarHBondContact O-N 2.85Å; G129-A131 VanDerWaalsContact O-N 3.14Å; A131-A135 PolarHBondContact O-N 3.38Å; A131-R357 HydrophobicContact CB-CB 4.33Å; A131-I358 HydrophobicContact CB-CG1 4.23Å
132	C	96.6	Very high	93.9	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.02	9%	0.088	C	C	.	.	H	α-helix	trans	-66.1	-52.6	178.2	-167.3	0	0	0	0	110.9	H130 H134 A135 V136 I358 A361 C363	H130-C132 PolarHBondContact O-N 3.21Å; C132-H134 VanDerWaalsContact C-N 3.26Å; C132-H134 PolarHBondContact O-N 3.14Å; C132-A135 PolarHBondContact O-N 3.03Å; C132-V136 PolarHBondContact O-N 2.92Å; C132-I358 WeakPolarHBondContact CB-O 3.17Å; C132-A361 HydrophobicContact CB-CB 3.85Å; C132-C363 HydrophobicContact CB-CB 4.34Å; C132-C363 PolarHBondContact SG-SG 3.41Å
133	A	95.4	Very high	93.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.8	-40	177.2	0	0	0	0	0	112.5	E85 R87 V124 N137 C363	E85-A133 WeakPolarHBondContact O-CB 3.5Å; R87-A133 HydrophobicContact CG-CB 4.23Å; V124-A133 HydrophobicContact CG1-CB 3.67Å; A133-N137 WeakPolarHBondContact O-CB 3.32Å; A133-N137 PolarHBondContact O-N 2.93Å; A133-C363 HydrophobicContact CB-CB 3.79Å
134	H	92.6	Very high	93.8	Very high	13 Å²	13	13 Å²	13	6%	0.06	9%	0.088	C	C	.	.	H	α-helix	trans	-63.4	-42.8	175.8	-168.2	62.3	0	0	0	112.9	H130 C132 L138 W225 W228 G229	H130-H134 WeakPolarHBondContact O-CB 3.37Å; H130-H134 PolarHBondContact O-N 2.55Å; C132-H134 VanDerWaalsContact C-N 3.26Å; C132-H134 PolarHBondContact O-N 3.14Å; H134-L138 VanDerWaalsContact O-CG 3.31Å; H134-L138 WeakPolarHBondContact O-CG 3.1Å; H134-L138 PolarHBondContact O-N 2.67Å; H134-W225 WeakPolarHBondContact CE1-CB 3.21Å; H134-W228 VanDerWaalsContact CE1-CB 3.49Å; H134-W228 WeakPolarHBondContact CE1-CB 3.5Å; H134-G229 PolarHBondContact NE2-O 3.31Å
135	A	94	Very high	93.6	Very high	2 Å²	2	13 Å²	13	2%	0.017	9%	0.088	C	C	.	.	H	α-helix	trans	-66.1	-52.4	175.2	0	0	0	0	0	111.1	A131 C132 N137 L138 L139 L231 I358	A131-A135 PolarHBondContact O-N 3.38Å; C132-A135 PolarHBondContact O-N 3.03Å; A135-N137 VanDerWaalsContact C-N 3.33Å; A135-N137 PolarHBondContact O-N 2.54Å; A135-L138 PolarHBondContact O-N 2.89Å; A135-L139 HydrophobicContact CB-CD1 4.19Å; A135-L139 WeakPolarHBondContact O-CB 3.1Å; A135-L139 WeakPolarHBondContact O-CG 3.17Å; A135-L139 PolarHBondContact O-N 3.01Å; A135-L231 HydrophobicContact CB-CD2 4.12Å; A135-I358 HydrophobicContact CB-CD1 3.9Å; A135-I358 HydrophobicContact CB-CG1 4.07Å; A135-I358 HydrophobicContact CB-CG2 3.79Å
136	V	95.6	Very high	93.5	Very high	9 Å²	9	12.6 Å²	12.6	6%	0.055	9%	0.087	C	C	.	.	H	α-helix	trans	-56.8	-45.8	179.9	167.6	0	0	0	0	111.4	V124 C132 L138 L139 H140 M334 C363 F469	V124-V136 HydrophobicContact CG1-CG1 4.38Å; V124-V136 HydrophobicContact CG2-CG1 4.3Å; C132-V136 PolarHBondContact O-N 2.92Å; V136-L138 PolarHBondContact O-N 3.01Å; V136-L138 VanDerWaalsContact O-N 3.13Å; V136-L139 PolarHBondContact O-N 3.12Å; V136-H140 HydrophobicContact CG1-CB 4.44Å; V136-H140 WeakPolarHBondContact O-CB 3.48Å; V136-H140 PolarHBondContact O-N 2.91Å; V136-H140 PolarHBondContact O-ND1 2.93Å; V136-M334 HydrophobicContact CB-CE 4.44Å; V136-M334 HydrophobicContact CG1-CE 3.99Å; V136-M334 HydrophobicContact CG2-CE 3.99Å; V136-M334 HydrophobicContact CG2-SD 4.49Å; V136-C363 WeakPolarHBondContact CG2-SG 3.31Å; V136-F469 HydrophobicContact CG1-CD2 4.18Å; V136-F469 HydrophobicContact CG1-CE2 4.34Å; V136-F469 HydrophobicContact CG2-CB 3.91Å; V136-F469 HydrophobicContact CG2-CD2 4.19Å; V136-F469 HydrophobicContact CG2-CG 4.01Å
137	N	93.2	Very high	93.3	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.016	9%	0.093	C	C	.	.	H	α-helix	trans	-57.8	-31.2	178.9	-165.9	63.8	0	0	0	113.6	R87 W88 M89 V124 A133 A135 H140	R87-N137 HydrophobicContact CB-CB 3.65Å; R87-N137 VanDerWaalsContact CB-CG 3.44Å; R87-N137 HydrophobicContact CG-CB 3.97Å; W88-N137 PolarHBondContact N-OD1 3.08Å; W88-N137 PolarHBondContact O-ND2 3.35Å; W88-N137 PolarHBondContact O-OD1 2.68Å; W88-N137 VanDerWaalsContact O-OD1 3.1Å; M89-N137 VanDerWaalsContact CE-O 3.22Å; M89-N137 WeakPolarHBondContact CE-O 3.33Å; V124-N137 HydrophobicContact CG2-CB 4.43Å; A133-N137 WeakPolarHBondContact O-CB 3.32Å; A133-N137 PolarHBondContact O-N 2.93Å; A135-N137 VanDerWaalsContact C-N 3.33Å; A135-N137 PolarHBondContact O-N 2.54Å; N137-H140 PolarHBondContact O-CE1 2.64Å; N137-H140 PolarHBondContact O-ND1 2.94Å
138	L	89.6	Confident	93.3	Very high	25 Å²	25	13.2 Å²	13.2	13%	0.131	9%	0.094	C	C	.	.	H	α-helix	trans	-95.1	-17	-177.7	-65.7	176.9	0	0	0	114.1	M89 H134 A135 V136 P224 W225 L231	M89-L138 HydrophobicContact CE-CD2 4.31Å; H134-L138 VanDerWaalsContact O-CG 3.31Å; H134-L138 WeakPolarHBondContact O-CG 3.1Å; H134-L138 PolarHBondContact O-N 2.67Å; A135-L138 PolarHBondContact O-N 2.89Å; V136-L138 PolarHBondContact O-N 3.01Å; V136-L138 VanDerWaalsContact O-N 3.13Å; L138-P224 HydrophobicContact CD2-CB 3.58Å; L138-P224 HydrophobicContact CD2-CG 4.02Å; L138-W225 HydrophobicContact CD1-CB 4.41Å; L138-L231 HydrophobicContact CB-CD1 4.03Å; L138-L231 HydrophobicContact CB-CG 4.49Å; L138-L231 HydrophobicContact CD1-CD1 4.16Å; L138-L231 HydrophobicContact CD1-CD2 4.13Å; L138-L231 HydrophobicContact CD1-CG 3.69Å
139	L	93.2	Very high	93.2	Very high	5 Å²	5	11.5 Å²	11.5	3%	0.026	7%	0.071	C	C	.	.	H	α-helix	trans	-110.8	-31.9	-172	-58.3	176.8	0	0	0	113	A135 V136 S141 D142 Y143 L231 V235 H239 M334 M338	A135-L139 HydrophobicContact CB-CD1 4.19Å; A135-L139 WeakPolarHBondContact O-CB 3.1Å; A135-L139 WeakPolarHBondContact O-CG 3.17Å; A135-L139 PolarHBondContact O-N 3.01Å; V136-L139 PolarHBondContact O-N 3.12Å; L139-S141 VanDerWaalsContact C-N 3.28Å; L139-S141 PolarHBondContact O-N 3.47Å; L139-S141 VanDerWaalsContact O-N 3.15Å; L139-D142 PolarHBondContact O-N 3.21Å; L139-D142 VanDerWaalsContact O-N 3.14Å; L139-Y143 HydrophobicContact CB-CE2 4.45Å; L139-Y143 WeakPolarHBondContact O-CD2 3.1Å; L139-L231 HydrophobicContact CD1-CD1 4.1Å; L139-L231 HydrophobicContact CD2-CD1 3.69Å; L139-L231 HydrophobicContact CG-CD1 3.86Å; L139-V235 HydrophobicContact CD1-CG1 4.46Å; L139-H239 HydrophobicContact CD2-CB 4.02Å; L139-H239 VanDerWaalsContact CD2-CE1 3.46Å; L139-H239 WeakPolarHBondContact CD2-CE1 3.46Å; L139-H239 VanDerWaalsContact CD2-CG 3.46Å; L139-H239 VanDerWaalsContact CD2-ND1 3.34Å; L139-H239 WeakPolarHBondContact CD2-ND1 3.44Å; L139-M334 HydrophobicContact CB-SD 4.07Å; L139-M338 HydrophobicContact CD1-CE 4.49Å; L139-M338 HydrophobicContact CD1-CG 4.47Å; L139-M338 HydrophobicContact CD1-SD 3.84Å
140	H	94.8	Very high	93.1	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.009	7%	0.069	C	C	.	.	H	α-helix	trans	-57.4	-36.3	-169.1	71	-72.4	0	0	0	114.4	T122 V136 N137 D142 Y143 I144 L331 M334	T122-H140 PolarHBondContact OG1-NE2 3.03Å; V136-H140 HydrophobicContact CG1-CB 4.44Å; V136-H140 WeakPolarHBondContact O-CB 3.48Å; V136-H140 PolarHBondContact O-N 2.91Å; V136-H140 PolarHBondContact O-ND1 2.93Å; N137-H140 PolarHBondContact O-CE1 2.64Å; N137-H140 PolarHBondContact O-ND1 2.94Å; H140-D142 VanDerWaalsContact C-N 3.3Å; H140-D142 PolarHBondContact O-N 3.12Å; H140-Y143 PolarHBondContact O-N 3.41Å; H140-I144 PolarHBondContact O-N 2.96Å; H140-L331 HydrophobicContact CB-CD2 4.04Å; H140-M334 WeakPolarHBondContact CA-SD 3.25Å; H140-M334 HydrophobicContact CB-CE 4.06Å; H140-M334 HydrophobicContact CB-SD 3.82Å
141	S	92.9	Very high	93	Very high	9 Å²	9	10.6 Å²	10.6	6%	0.063	7%	0.067	C	C	.	.	H	α-helix	trans	-62.4	-39.4	-178	54.1	0	0	0	0	111.6	L139 I144 I145	L139-S141 VanDerWaalsContact C-N 3.28Å; L139-S141 PolarHBondContact O-N 3.47Å; L139-S141 VanDerWaalsContact O-N 3.15Å; S141-I144 PolarHBondContact O-N 2.91Å; S141-I145 WeakPolarHBondContact O-CB 3.32Å; S141-I145 WeakPolarHBondContact O-CD1 3.27Å; S141-I145 WeakPolarHBondContact O-CG1 3.39Å; S141-I145 PolarHBondContact O-N 2.9Å
142	D	93.2	Very high	92.6	Very high	7 Å²	7	15.7 Å²	15.7	4%	0.037	9%	0.085	C	C	.	.	H	α-helix	trans	-68.6	-38.8	-177.9	-72.7	-11.5	0	0	0	111.2	L139 H140 S146 L176 H239 I243	L139-D142 PolarHBondContact O-N 3.21Å; L139-D142 VanDerWaalsContact O-N 3.14Å; H140-D142 VanDerWaalsContact C-N 3.3Å; H140-D142 PolarHBondContact O-N 3.12Å; D142-S146 VanDerWaalsContact O-CB 3.25Å; D142-S146 WeakPolarHBondContact O-CB 3.4Å; D142-S146 PolarHBondContact O-N 2.71Å; D142-S146 PolarHBondContact O-OG 2.63Å; D142-L176 HydrophobicContact CB-CD1 4.3Å; D142-L176 WeakPolarHBondContact O-CD1 3.37Å; D142-L176 PolarHBondContact OD1-N 3.28Å; D142-H239 IonicContact OD2-CE1 2.95Å; D142-H239 PolarHBondContact OD2-CE1 3.38Å; D142-H239 IonicContact OD2-NE2 3.63Å; D142-I243 HydrophobicContact CB-CD1 3.85Å; D142-I243 HydrophobicContact CB-CG1 4.16Å
143	Y	96.7	Very high	92.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-69.1	-45.8	175	-73	-89.6	0	0	0	112.5	L139 H140 I145 S146 G147 H239 H242 I243 F246 G330 R333 M334 D337	L139-Y143 HydrophobicContact CB-CE2 4.45Å; L139-Y143 WeakPolarHBondContact O-CD2 3.1Å; H140-Y143 PolarHBondContact O-N 3.41Å; Y143-I145 PolarHBondContact O-N 3.47Å; Y143-S146 PolarHBondContact O-N 3.29Å; Y143-G147 PolarHBondContact O-N 2.85Å; Y143-H239 AromaticContact CE2-CD2 3.58Å; Y143-H239 AromaticContact CE2-NE2 3.55Å; Y143-H242 WeakPolarHBondContact OH-CB 3.47Å; Y143-I243 HydrophobicContact CD1-CD1 3.81Å; Y143-I243 HydrophobicContact CD2-CD1 3.73Å; Y143-I243 HydrophobicContact CE1-CD1 3.83Å; Y143-I243 HydrophobicContact CE2-CD1 3.77Å; Y143-I243 HydrophobicContact CG-CD1 3.76Å; Y143-F246 AromaticContact CD1-CD1 3.98Å; Y143-F246 HydrophobicContact CD1-CD1 3.98Å; Y143-F246 HydrophobicContact CD1-CE1 4.3Å; Y143-F246 WeakPolarHBondContact O-CE1 3.47Å; Y143-G330 VanDerWaalsContact CB-O 3.3Å; Y143-G330 WeakPolarHBondContact CB-O 3.27Å; Y143-R333 HydrophobicContact CD1-CB 4.22Å; Y143-R333 HydrophobicContact CD1-CG 4.05Å; Y143-R333 HydrophobicContact CE1-CG 4Å; Y143-M334 HydrophobicContact CD1-CB 3.98Å; Y143-M334 HydrophobicContact CD2-CB 3.54Å; Y143-M334 HydrophobicContact CD2-CG 3.63Å; Y143-M334 HydrophobicContact CD2-SD 4.18Å; Y143-M334 HydrophobicContact CE1-CB 4.21Å; Y143-M334 HydrophobicContact CE2-CB 3.78Å; Y143-M334 HydrophobicContact CE2-CG 3.63Å; Y143-M334 HydrophobicContact CG-CB 3.64Å; Y143-M334 HydrophobicContact CG-CG 4.27Å; Y143-D337 HydrophobicContact CE1-CB 4.39Å; Y143-D337 WeakPolarHBondContact CE1-OD2 3.43Å; Y143-D337 WeakPolarHBondContact OH-CB 3.47Å
144	I	95.8	Very high	91.9	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-59.7	-49.3	177.1	-77	168.4	0	0	0	110.2	L120 H140 S141 S146 G147 L148 L327 L331	L120-I144 HydrophobicContact CD1-CD1 4.26Å; L120-I144 HydrophobicContact CD1-CG2 4.46Å; L120-I144 HydrophobicContact CD2-CB 4.38Å; L120-I144 HydrophobicContact CD2-CD1 3.81Å; L120-I144 HydrophobicContact CD2-CG2 4.19Å; H140-I144 PolarHBondContact O-N 2.96Å; S141-I144 PolarHBondContact O-N 2.91Å; I144-S146 PolarHBondContact O-N 2.87Å; I144-G147 PolarHBondContact O-N 2.79Å; I144-L148 HydrophobicContact CG2-CD1 3.71Å; I144-L148 WeakPolarHBondContact O-CG 3.36Å; I144-L148 PolarHBondContact O-N 3.35Å; I144-L327 HydrophobicContact CD1-CD2 4.49Å; I144-L327 HydrophobicContact CG1-CD2 4.39Å; I144-L327 HydrophobicContact CG2-CD2 3.6Å; I144-L331 HydrophobicContact CD1-CD1 4.38Å; I144-L331 HydrophobicContact CD1-CD2 3.77Å; I144-L331 HydrophobicContact CD1-CG 4.03Å; I144-L331 HydrophobicContact CG1-CD2 4.08Å; I144-L331 HydrophobicContact CG1-CG 4.09Å
145	I	93.7	Very high	91.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-66	-41.7	-176.5	-69	165.1	0	0	0	110.5	F93 S141 Y143 G147 L148 L149 L176 A177	F93-I145 HydrophobicContact CB-CD1 4.02Å; F93-I145 HydrophobicContact CD1-CD1 3.87Å; F93-I145 HydrophobicContact CD1-CG1 3.83Å; F93-I145 HydrophobicContact CD2-CG1 4.19Å; F93-I145 HydrophobicContact CD2-CG2 3.68Å; F93-I145 HydrophobicContact CE1-CD1 4.49Å; F93-I145 HydrophobicContact CE1-CG1 3.98Å; F93-I145 HydrophobicContact CE2-CG1 4.31Å; F93-I145 HydrophobicContact CE2-CG2 3.98Å; F93-I145 HydrophobicContact CG-CD1 3.89Å; F93-I145 HydrophobicContact CG-CG1 3.96Å; F93-I145 HydrophobicContact CG-CG2 4.13Å; F93-I145 HydrophobicContact CZ-CG1 4.23Å; S141-I145 WeakPolarHBondContact O-CB 3.32Å; S141-I145 WeakPolarHBondContact O-CD1 3.27Å; S141-I145 WeakPolarHBondContact O-CG1 3.39Å; S141-I145 PolarHBondContact O-N 2.9Å; Y143-I145 PolarHBondContact O-N 3.47Å; I145-G147 PolarHBondContact O-N 3.08Å; I145-L148 CarbonylContact O-C 3.45Å; I145-L148 WeakPolarHBondContact O-CA 3.4Å; I145-L148 PolarHBondContact O-N 3.46Å; I145-L149 HydrophobicContact CG2-CD2 3.69Å; I145-L149 HydrophobicContact CG2-CG 3.99Å; I145-L149 VanDerWaalsContact O-CG 3.31Å; I145-L149 WeakPolarHBondContact O-CG 3.33Å; I145-L149 PolarHBondContact O-N 2.92Å; I145-L176 HydrophobicContact CB-CB 4.17Å; I145-L176 HydrophobicContact CD1-CB 4.43Å; I145-L176 HydrophobicContact CG2-CB 3.78Å; I145-L176 HydrophobicContact CG2-CD1 4.37Å; I145-A177 HydrophobicContact CD1-CB 3.29Å
146	S	93.5	Very high	91.4	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.007	11%	0.114	C	C	.	.	H	α-helix	trans	-50.7	-42.8	176.2	-65.5	0	0	0	0	112.1	D142 Y143 I144 L148 L176 L250	D142-S146 VanDerWaalsContact O-CB 3.25Å; D142-S146 WeakPolarHBondContact O-CB 3.4Å; D142-S146 PolarHBondContact O-N 2.71Å; D142-S146 PolarHBondContact O-OG 2.63Å; Y143-S146 PolarHBondContact O-N 3.29Å; I144-S146 PolarHBondContact O-N 2.87Å; S146-L148 VanDerWaalsContact C-N 3.34Å; S146-L176 VanDerWaalsContact OG-CD1 3.23Å; S146-L176 WeakPolarHBondContact OG-CD1 3.45Å; S146-L250 VanDerWaalsContact O-CD1 3.27Å; S146-L250 WeakPolarHBondContact O-CD1 3.31Å
147	G	92.5	Very high	91	Very high	14 Å²	14	21.5 Å²	21.5	14%	0.144	11%	0.112	C	C	.	.	H	α-helix	trans	-70.3	-25.6	176.1	0	0	0	0	0	114.8	Y143 I144 I145 A326	Y143-G147 PolarHBondContact O-N 2.85Å; I144-G147 PolarHBondContact O-N 2.79Å; I145-G147 PolarHBondContact O-N 3.08Å; G147-A326 VanDerWaalsContact C-CB 3.46Å; G147-A326 VanDerWaalsContact O-CB 3.28Å; G147-A326 WeakPolarHBondContact O-CB 3.46Å
148	L	92.6	Very high	90.9	Very high	27 Å²	27	22.3 Å²	22.3	14%	0.141	12%	0.116	C	C	.	.	H	α-helix	trans	-90.7	-10.6	-179.2	-65.8	171.4	0	0	0	113.5	F93 I144 I145 S146 T323 A326 L327 Y369	F93-L148 HydrophobicContact CE1-CD1 4.44Å; F93-L148 HydrophobicContact CE2-CB 4.31Å; F93-L148 HydrophobicContact CZ-CB 4.16Å; F93-L148 HydrophobicContact CZ-CD1 3.84Å; I144-L148 HydrophobicContact CG2-CD1 3.71Å; I144-L148 WeakPolarHBondContact O-CG 3.36Å; I144-L148 PolarHBondContact O-N 3.35Å; I145-L148 CarbonylContact O-C 3.45Å; I145-L148 WeakPolarHBondContact O-CA 3.4Å; I145-L148 PolarHBondContact O-N 3.46Å; S146-L148 VanDerWaalsContact C-N 3.34Å; L148-T323 HydrophobicContact CD2-CG2 3.86Å; L148-A326 HydrophobicContact CD2-CB 3.66Å; L148-A326 HydrophobicContact CG-CB 4.06Å; L148-L327 HydrophobicContact CD1-CD2 4.49Å; L148-Y369 HydrophobicContact CD1-CD1 4.26Å; L148-Y369 HydrophobicContact CD1-CD2 4.44Å; L148-Y369 HydrophobicContact CD1-CE1 3.99Å; L148-Y369 HydrophobicContact CD1-CE2 4.21Å; L148-Y369 HydrophobicContact CD1-CG 4.47Å; L148-Y369 HydrophobicContact CD2-CE1 4.18Å
149	L	89.5	Confident	90.8	Very high	19 Å²	19	28.5 Å²	28.5	10%	0.099	14%	0.138	C	C	.	.	S	Bend	trans	-73	133.4	-179	-68.7	-171.3	0	0	0	111.3	F93 Y116 I145 V153 S154 A157 L176 L247	F93-L149 HydrophobicContact CD2-CD2 4.38Å; F93-L149 HydrophobicContact CE2-CD2 4.48Å; Y116-L149 HydrophobicContact CD2-CD2 4.4Å; Y116-L149 HydrophobicContact CE2-CD2 4.45Å; I145-L149 HydrophobicContact CG2-CD2 3.69Å; I145-L149 HydrophobicContact CG2-CG 3.99Å; I145-L149 VanDerWaalsContact O-CG 3.31Å; I145-L149 WeakPolarHBondContact O-CG 3.33Å; I145-L149 PolarHBondContact O-N 2.92Å; L149-V153 HydrophobicContact CB-CB 4.43Å; L149-V153 HydrophobicContact CB-CG1 4.44Å; L149-V153 HydrophobicContact CD1-CG1 4.21Å; L149-V153 HydrophobicContact CD2-CG1 3.82Å; L149-V153 HydrophobicContact CG-CG1 4.35Å; L149-S154 WeakPolarHBondContact CB-OG 3.42Å; L149-S154 PolarHBondContact O-OG 2.86Å; L149-A157 HydrophobicContact CD1-CB 4.06Å; L149-L176 HydrophobicContact CD1-CD2 4.38Å; L149-L247 HydrophobicContact CD1-CD2 4.46Å
150	P	86.9	Confident	90.4	Very high	26 Å²	26	28.7 Å²	28.7	17%	0.169	14%	0.139	C	C	.	.			trans	-60.5	151.3	166.6	-20.7	31.2	0	0	0	111.2	L114 Y116 K152 V153 S154	L114-P150 HydrophobicContact CD2-CB 4.29Å; L114-P150 HydrophobicContact CD2-CG 4.28Å; Y116-P150 HydrophobicContact CD1-CG 4.12Å; Y116-P150 HydrophobicContact CG-CG 3.92Å; P150-K152 VanDerWaalsContact C-N 3.34Å; P150-K152 PolarHBondContact O-N 3.24Å; P150-K152 VanDerWaalsContact O-N 3.17Å; P150-V153 HydrophobicContact CB-CG2 4.12Å; P150-V153 HydrophobicContact CG-CG2 4.09Å; P150-V153 WeakPolarHBondContact O-CA 3.4Å; P150-V153 WeakPolarHBondContact O-CB 3.23Å; P150-V153 PolarHBondContact O-N 3.16Å; P150-S154 PolarHBondContact O-N 2.98Å; P150-S154 PolarHBondContact O-OG 2.79Å
151	P	87.9	Confident	89.9	Confident	34 Å²	34	28.8 Å²	28.8	22%	0.221	14%	0.139	C	C	.	.	H	α-helix	trans	-50.2	-48.8	-174.5	-32.4	38.1	0	0	0	114.6	V153 S154 E155 L251 Y254	P151-V153 PolarHBondContact O-N 3.46Å; P151-S154 WeakPolarHBondContact O-CA 3.43Å; P151-S154 WeakPolarHBondContact O-CB 3.47Å; P151-S154 PolarHBondContact O-N 3.49Å; P151-S154 VanDerWaalsContact O-N 3.08Å; P151-E155 WeakPolarHBondContact O-CG 3.14Å; P151-E155 PolarHBondContact O-N 3.31Å; P151-L251 HydrophobicContact CB-CD2 4.02Å; P151-Y254 HydrophobicContact CB-CD2 4.45Å; P151-Y254 HydrophobicContact CB-CE2 4.47Å; P151-Y254 HydrophobicContact CG-CD1 4.2Å; P151-Y254 HydrophobicContact CG-CD2 3.3Å; P151-Y254 HydrophobicContact CG-CE1 3.99Å; P151-Y254 HydrophobicContact CG-CE2 3.04Å; P151-Y254 HydrophobicContact CG-CG 3.9Å; P151-Y254 VanDerWaalsContact CG-CZ 3.42Å
152	K	85.4	Confident	89.6	Confident	129 Å²	129	31.9 Å²	31.9	56%	0.561	15%	0.153	S	C	*	.	H	α-helix	trans	-62.2	-29.5	179.9	-176.1	165.7	172.1	-173.2	0	113	Y106 P150 I156	Y106-K152 HydrophobicContact CD2-CD 4.31Å; Y106-K152 HydrophobicContact CD2-CG 4.31Å; Y106-K152 HydrophobicContact CE2-CD 3.91Å; Y106-K152 HydrophobicContact CE2-CG 4.18Å; P150-K152 VanDerWaalsContact C-N 3.34Å; P150-K152 PolarHBondContact O-N 3.24Å; P150-K152 VanDerWaalsContact O-N 3.17Å; K152-I156 WeakPolarHBondContact O-CD1 3.37Å; K152-I156 WeakPolarHBondContact O-CG1 3.31Å; K152-I156 PolarHBondContact O-N 3.36Å
153	V	85.6	Confident	89	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-78.4	-39.7	176.4	-174.5	0	0	0	0	109.9	L103 Y106 Y116 L149 P150 P151 E155 I156 A157	L103-V153 HydrophobicContact CD1-CG1 4.38Å; L103-V153 HydrophobicContact CD2-CB 4.43Å; L103-V153 HydrophobicContact CD2-CG1 3.45Å; L103-V153 VanDerWaalsContact CD2-CG1 3.45Å; Y106-V153 HydrophobicContact CD2-CG2 4.38Å; Y116-V153 HydrophobicContact CE1-CG2 4.09Å; Y116-V153 HydrophobicContact CE2-CG1 4.02Å; L149-V153 HydrophobicContact CB-CB 4.43Å; L149-V153 HydrophobicContact CB-CG1 4.44Å; L149-V153 HydrophobicContact CD1-CG1 4.21Å; L149-V153 HydrophobicContact CD2-CG1 3.82Å; L149-V153 HydrophobicContact CG-CG1 4.35Å; P150-V153 HydrophobicContact CB-CG2 4.12Å; P150-V153 HydrophobicContact CG-CG2 4.09Å; P150-V153 WeakPolarHBondContact O-CA 3.4Å; P150-V153 WeakPolarHBondContact O-CB 3.23Å; P150-V153 PolarHBondContact O-N 3.16Å; P151-V153 PolarHBondContact O-N 3.46Å; V153-E155 PolarHBondContact O-N 3.25Å; V153-I156 PolarHBondContact O-N 3.25Å; V153-A157 PolarHBondContact O-N 3.5Å
154	S	89.9	Confident	87.9	Confident	3 Å²	3	36 Å²	36	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-40.7	173	-57.6	0	0	0	0	112.6	L149 P150 P151 I156 A157 L158	L149-S154 WeakPolarHBondContact CB-OG 3.42Å; L149-S154 PolarHBondContact O-OG 2.86Å; P150-S154 PolarHBondContact O-N 2.98Å; P150-S154 PolarHBondContact O-OG 2.79Å; P151-S154 WeakPolarHBondContact O-CA 3.43Å; P151-S154 WeakPolarHBondContact O-CB 3.47Å; P151-S154 PolarHBondContact O-N 3.49Å; P151-S154 VanDerWaalsContact O-N 3.08Å; S154-I156 VanDerWaalsContact C-N 3.34Å; S154-I156 PolarHBondContact O-N 2.99Å; S154-A157 PolarHBondContact O-N 2.96Å; S154-L158 VanDerWaalsContact O-CB 3.31Å; S154-L158 WeakPolarHBondContact O-CB 3.34Å; S154-L158 PolarHBondContact O-N 3.21Å
155	E	90.9	Very high	86.7	Confident	115 Å²	115	43 Å²	43	54%	0.537	20%	0.203	S	C	.	.	H	α-helix	trans	-59.7	-42.8	174.5	-73.3	172.4	-175.3	0	0	112.2	P151 V153 R159 L251	P151-E155 WeakPolarHBondContact O-CG 3.14Å; P151-E155 PolarHBondContact O-N 3.31Å; V153-E155 PolarHBondContact O-N 3.25Å; E155-R159 WeakPolarHBondContact O-CB 3.34Å; E155-R159 PolarHBondContact O-N 3.13Å; E155-L251 HydrophobicContact CG-CD1 4.01Å; E155-L251 HydrophobicContact CG-CD2 3.98Å
156	I	86.2	Confident	85.8	Confident	30 Å²	30	50.6 Å²	50.6	15%	0.154	24%	0.238	C	C	.	.	H	α-helix	trans	-66	-47.1	177.2	-65.3	165.9	0	0	0	110.1	T102 L103 K152 V153 S154 L158 R159 N160	T102-I156 WeakPolarHBondContact O-CG2 3.45Å; L103-I156 HydrophobicContact CD2-CB 4.05Å; L103-I156 HydrophobicContact CD2-CD1 4.25Å; L103-I156 HydrophobicContact CD2-CG2 3.81Å; L103-I156 HydrophobicContact CG-CG2 4.09Å; K152-I156 WeakPolarHBondContact O-CD1 3.37Å; K152-I156 WeakPolarHBondContact O-CG1 3.31Å; K152-I156 PolarHBondContact O-N 3.36Å; V153-I156 PolarHBondContact O-N 3.25Å; S154-I156 VanDerWaalsContact C-N 3.34Å; S154-I156 PolarHBondContact O-N 2.99Å; I156-L158 VanDerWaalsContact C-N 3.34Å; I156-L158 PolarHBondContact O-N 3.41Å; I156-R159 PolarHBondContact O-N 3.26Å; I156-N160 WeakPolarHBondContact O-CB 3.4Å; I156-N160 PolarHBondContact O-N 3.35Å; I156-N160 PolarHBondContact O-ND2 2.89Å
157	A	86.9	Confident	84.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.3	-47.4	177.1	0	0	0	0	0	111.5	L149 V153 S154 N160 L161 L176 L247	L149-A157 HydrophobicContact CD1-CB 4.06Å; V153-A157 PolarHBondContact O-N 3.5Å; S154-A157 PolarHBondContact O-N 2.96Å; A157-N160 PolarHBondContact O-N 3.04Å; A157-L161 WeakPolarHBondContact O-CG 3.38Å; A157-L161 PolarHBondContact O-N 3.46Å; A157-L176 HydrophobicContact CB-CD2 3.84Å; A157-L247 HydrophobicContact CB-CD1 4.02Å
158	L	90.8	Very high	83	Confident	21 Å²	21	65.2 Å²	65.2	11%	0.11	30%	0.295	C	S	.	.	H	α-helix	trans	-61.1	-47.1	178.3	-179.6	60.3	0	0	0	112.1	S154 I156 N160 L161 H162 S244 L247 E248 L251	S154-L158 VanDerWaalsContact O-CB 3.31Å; S154-L158 WeakPolarHBondContact O-CB 3.34Å; S154-L158 PolarHBondContact O-N 3.21Å; I156-L158 VanDerWaalsContact C-N 3.34Å; I156-L158 PolarHBondContact O-N 3.41Å; L158-N160 VanDerWaalsContact C-N 3.29Å; L158-N160 PolarHBondContact O-N 2.9Å; L158-L161 PolarHBondContact O-N 2.95Å; L158-H162 WeakPolarHBondContact CD1-NE2 3.38Å; L158-H162 PolarHBondContact O-CD2 2.89Å; L158-H162 VanDerWaalsContact O-CD2 3.27Å; L158-H162 PolarHBondContact O-N 3.2Å; L158-S244 WeakPolarHBondContact CD1-O 3.45Å; L158-L247 HydrophobicContact CB-CB 4.42Å; L158-L247 HydrophobicContact CB-CD1 4.37Å; L158-L247 HydrophobicContact CD1-CB 4.42Å; L158-E248 HydrophobicContact CD1-CG 3.96Å; L158-E248 HydrophobicContact CD2-CG 3.63Å; L158-E248 HydrophobicContact CG-CG 4.45Å; L158-L251 HydrophobicContact CD2-CD1 4.06Å
159	R	88.2	Confident	81.1	Confident	155 Å²	155	65.1 Å²	65.1	59%	0.585	30%	0.295	S	S	*	.	H	α-helix	trans	-56.9	-44.2	175.5	178.5	-178.4	169.7	-171.7	-3.4	111.6	E155 I156 H162 Q163	E155-R159 WeakPolarHBondContact O-CB 3.34Å; E155-R159 PolarHBondContact O-N 3.13Å; I156-R159 PolarHBondContact O-N 3.26Å; R159-H162 PolarHBondContact O-N 3.44Å; R159-Q163 WeakPolarHBondContact O-CG 3.39Å; R159-Q163 PolarHBondContact O-N 3.31Å; R159-Q163 VanDerWaalsContact O-N 3.13Å
160	N	84.1	Confident	79.1	Confident	9 Å²	9	67.8 Å²	67.8	5%	0.048	31%	0.314	C	S	.	.	H	α-helix	trans	-67.5	-38.7	-179.5	-66.3	-20.7	0	0	0	111.4	L101 T102 I156 A157 L158 Q163 I164	L101-N160 HydrophobicContact CB-CB 3.83Å; L101-N160 HydrophobicContact CD2-CB 3.32Å; L101-N160 HydrophobicContact CG-CB 4.14Å; L101-N160 PolarHBondContact O-ND2 2.85Å; L101-N160 VanDerWaalsContact O-ND2 3.09Å; T102-N160 PolarHBondContact N-ND2 3.29Å; T102-N160 PolarHBondContact O-ND2 2.84Å; T102-N160 PolarHBondContact OG1-ND2 3.41Å; T102-N160 PolarHBondContact OG1-OD1 2.86Å; I156-N160 WeakPolarHBondContact O-CB 3.4Å; I156-N160 PolarHBondContact O-N 3.35Å; I156-N160 PolarHBondContact O-ND2 2.89Å; A157-N160 PolarHBondContact O-N 3.04Å; L158-N160 VanDerWaalsContact C-N 3.29Å; L158-N160 PolarHBondContact O-N 2.9Å; N160-Q163 PolarHBondContact O-N 3.28Å; N160-I164 WeakPolarHBondContact O-CG1 3.44Å; N160-I164 PolarHBondContact O-N 3.36Å; N160-I164 VanDerWaalsContact O-N 3.08Å
161	L	85.2	Confident	77.3	Confident	4 Å²	4	70.3 Å²	70.3	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-63.2	-41.2	174.9	-71.9	169.3	0	0	0	112.3	L101 A157 L158 I164 K165 I240 I243 L247	L101-L161 HydrophobicContact CD1-CD2 4.12Å; L101-L161 HydrophobicContact CD1-CG 4.23Å; L101-L161 HydrophobicContact CD2-CD2 4.12Å; L101-L161 HydrophobicContact CD2-CG 4.22Å; A157-L161 WeakPolarHBondContact O-CG 3.38Å; A157-L161 PolarHBondContact O-N 3.46Å; L158-L161 PolarHBondContact O-N 2.95Å; L161-I164 PolarHBondContact O-N 3.08Å; L161-K165 PolarHBondContact O-N 3.49Å; L161-K165 VanDerWaalsContact O-N 3.1Å; L161-I240 HydrophobicContact CD2-CG2 4.43Å; L161-I243 HydrophobicContact CD1-CB 4.44Å; L161-I243 HydrophobicContact CD1-CG2 3.71Å; L161-L247 HydrophobicContact CD1-CD1 3.71Å
162	H	85.5	Confident	75.3	Confident	73 Å²	73	72.1 Å²	72.1	34%	0.338	33%	0.334	S	S	.	.	H	α-helix	trans	-61.1	-44.4	173.9	-70.8	-47.8	0	0	0	112.2	L158 R159 I164 K165 E166 E248	L158-H162 WeakPolarHBondContact CD1-NE2 3.38Å; L158-H162 PolarHBondContact O-CD2 2.89Å; L158-H162 VanDerWaalsContact O-CD2 3.27Å; L158-H162 PolarHBondContact O-N 3.2Å; R159-H162 PolarHBondContact O-N 3.44Å; H162-I164 VanDerWaalsContact C-N 3.33Å; H162-I164 PolarHBondContact O-N 3.29Å; H162-K165 WeakPolarHBondContact O-CB 3.24Å; H162-K165 PolarHBondContact O-N 3.06Å; H162-E166 WeakPolarHBondContact O-CG 3.43Å; H162-E166 PolarHBondContact O-N 2.88Å; H162-E166 VanDerWaalsContact O-N 3.13Å; H162-E248 IonicContact CE1-OE1 2.89Å; H162-E248 PolarHBondContact CE1-OE1 2.98Å; H162-E248 IonicContact NE2-OE1 3.58Å
163	Q	81.4	Confident	73.3	Confident	77 Å²	77	68.6 Å²	68.6	36%	0.36	32%	0.32	S	S	.	.	H	α-helix	trans	-61.1	-40.6	177.5	-71.6	178.8	-0.5	0	0	112.5	R159 N160 K165 E166 L167	R159-Q163 WeakPolarHBondContact O-CG 3.39Å; R159-Q163 PolarHBondContact O-N 3.31Å; R159-Q163 VanDerWaalsContact O-N 3.13Å; N160-Q163 PolarHBondContact O-N 3.28Å; Q163-K165 VanDerWaalsContact C-N 3.35Å; Q163-K165 PolarHBondContact O-N 2.95Å; Q163-E166 PolarHBondContact O-N 3.4Å; Q163-L167 WeakPolarHBondContact O-CB 3.36Å; Q163-L167 VanDerWaalsContact O-CG 3.26Å; Q163-L167 WeakPolarHBondContact O-CG 3.28Å; Q163-L167 PolarHBondContact O-N 2.57Å
164	I	72.5	Confident	71.9	Confident	17 Å²	17	69.3 Å²	69.3	9%	0.087	33%	0.325	C	S	.	.	H	α-helix	trans	-63.3	-42.5	177	-71	172.4	0	0	0	111.4	L101 N160 L161 H162 E166 L167 R168 I173	L101-I164 HydrophobicContact CD2-CD1 3.46Å; L101-I164 VanDerWaalsContact CD2-CD1 3.46Å; N160-I164 WeakPolarHBondContact O-CG1 3.44Å; N160-I164 PolarHBondContact O-N 3.36Å; N160-I164 VanDerWaalsContact O-N 3.08Å; L161-I164 PolarHBondContact O-N 3.08Å; H162-I164 VanDerWaalsContact C-N 3.33Å; H162-I164 PolarHBondContact O-N 3.29Å; I164-E166 VanDerWaalsContact C-N 3.26Å; I164-E166 PolarHBondContact O-N 2.94Å; I164-L167 PolarHBondContact O-N 2.97Å; I164-R168 PolarHBondContact O-N 2.93Å; I164-R168 VanDerWaalsContact O-N 3.09Å; I164-I173 HydrophobicContact CD1-CG2 4.43Å
165	K	72.5	Confident	71	Confident	149 Å²	149	71.6 Å²	71.6	65%	0.648	34%	0.335	S	S	*	.	H	α-helix	trans	-59.7	-38.5	177.5	-170.8	178.5	-179.4	179.5	0	111.6	L161 H162 Q163	L161-K165 PolarHBondContact O-N 3.49Å; L161-K165 VanDerWaalsContact O-N 3.1Å; H162-K165 WeakPolarHBondContact O-CB 3.24Å; H162-K165 PolarHBondContact O-N 3.06Å; Q163-K165 VanDerWaalsContact C-N 3.35Å; Q163-K165 PolarHBondContact O-N 2.95Å
166	E	73.1	Confident	70.6	Confident	159 Å²	159	67 Å²	67	74%	0.743	32%	0.315	S	S	*	.	H	α-helix	trans	-71.3	-43	176.2	-69.1	178.7	175.2	0	0	112.7	H162 Q163 I164	H162-E166 WeakPolarHBondContact O-CG 3.43Å; H162-E166 PolarHBondContact O-N 2.88Å; H162-E166 VanDerWaalsContact O-N 3.13Å; Q163-E166 PolarHBondContact O-N 3.4Å; I164-E166 VanDerWaalsContact C-N 3.26Å; I164-E166 PolarHBondContact O-N 2.94Å
167	L	66.2	Low	70.5	Confident	88 Å²	88	65.8 Å²	65.8	46%	0.461	31%	0.309	S	S	.	.	H	α-helix	trans	-83	-10.4	-171.8	-66.5	173.4	0	0	0	114.7	Q163 I164 T169 F207	Q163-L167 WeakPolarHBondContact O-CB 3.36Å; Q163-L167 VanDerWaalsContact O-CG 3.26Å; Q163-L167 WeakPolarHBondContact O-CG 3.28Å; Q163-L167 PolarHBondContact O-N 2.57Å; I164-L167 PolarHBondContact O-N 2.97Å; L167-T169 HydrophobicContact CB-CG2 3.8Å; L167-T169 HydrophobicContact CD1-CG2 4.46Å; L167-T169 PolarHBondContact O-N 3.08Å; L167-T169 VanDerWaalsContact O-N 3.1Å; L167-F207 HydrophobicContact CD1-CE2 4.04Å; L167-F207 HydrophobicContact CD1-CZ 3.8Å; L167-F207 HydrophobicContact CD2-CE2 3.96Å; L167-F207 HydrophobicContact CD2-CZ 4.13Å
168	R	62.3	Low	70.2	Confident	234 Å²	234	67.1 Å²	67.1	88%	0.883	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	31.4	-173.6	-59.2	-176.3	178.4	-178.9	-0.3	113	I164	I164-R168 PolarHBondContact O-N 2.93Å; I164-R168 VanDerWaalsContact O-N 3.09Å
169	T	53.2	Low	69.9	Low	25 Å²	25	66.3 Å²	66.3	15%	0.153	31%	0.313	C	S	.	.			trans	-63.9	150.1	-176.7	36.5	0	0	0	0	112.5	L167 R171 F207	L167-T169 HydrophobicContact CB-CG2 3.8Å; L167-T169 HydrophobicContact CD1-CG2 4.46Å; L167-T169 PolarHBondContact O-N 3.08Å; L167-T169 VanDerWaalsContact O-N 3.1Å; T169-R171 PolarHBondContact O-N 3.34Å; T169-F207 HydrophobicContact CG2-CD2 4.46Å
170	P	46	Very low	69.7	Low	76 Å²	76	59.3 Å²	59.3	49%	0.494	29%	0.287	S	S	.	.			trans	-60.4	131.9	173.2	-21.9	33.2	0	0	0	111.9	S172	P170-S172 PolarHBondContact O-N 3.09Å
171	R	49.3	Very low	69.4	Low	79 Å²	79	60.7 Å²	60.7	30%	0.298	29%	0.291	S	S	.	.	S	Bend	trans	-85.3	2.3	-153.5	-65.6	-174.4	-175	170.6	8.3	118	T169 I173 C174 R236 D237	T169-R171 PolarHBondContact O-N 3.34Å; R171-I173 PolarHBondContact O-N 3.34Å; R171-C174 PolarHBondContact O-N 3.18Å; R171-C174 PolarHBondContact O-SG 3.07Å; R171-C174 VanDerWaalsContact O-SG 3.34Å; R171-R236 VanDerWaalsContact NH1-CB 3.27Å; R171-D237 IonicContact CZ-OD1 2.98Å; R171-D237 IonicContact NH1-OD1 3.68Å; R171-D237 PolarHBondContact NH1-OD1 3.1Å; R171-D237 IonicContact NH2-OD1 3.74Å; R171-D237 PolarHBondContact NH2-OD1 3.44Å
172	S	47	Very low	69	Low	72 Å²	72	64.8 Å²	64.8	50%	0.503	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	5	175	58.8	0	0	0	0	114	P170	P170-S172 PolarHBondContact O-N 3.09Å
173	I	43.6	Very low	68.6	Low	55 Å²	55	62.8 Å²	62.8	28%	0.282	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-3	-177.2	-60.7	169.4	0	0	0	111.7	S100 L101 I164 R171	S100-I173 PolarHBondContact OG-O 3.17Å; S100-I173 VanDerWaalsContact OG-O 3.07Å; L101-I173 PolarHBondContact N-O 3Å; I164-I173 HydrophobicContact CD1-CG2 4.43Å; R171-I173 PolarHBondContact O-N 3.34Å
174	C	54.3	Low	68.5	Low	14 Å²	14	62.9 Å²	62.9	10%	0.095	31%	0.314	C	S	.	.			trans	-98.7	3.6	-165.2	-53.1	0	0	0	0	115.4	R171	R171-C174 PolarHBondContact O-N 3.18Å; R171-C174 PolarHBondContact O-SG 3.07Å; R171-C174 VanDerWaalsContact O-SG 3.34Å
175	E	71.6	Confident	69	Low	52 Å²	52	63 Å²	63	24%	0.243	32%	0.319	C	S	.	.			trans	-87.9	133.1	-174	-63.8	175.1	-176.8	0	0	109.7	S100 A177	S100-E175 VanDerWaalsContact CB-O 3.24Å; S100-E175 WeakPolarHBondContact CB-O 3.2Å; S100-E175 PolarHBondContact OG-N 2.54Å; S100-E175 VanDerWaalsContact OG-N 3.17Å; S100-E175 PolarHBondContact OG-O 3.15Å; E175-A177 WeakPolarHBondContact CB-O 3.34Å; E175-A177 PolarHBondContact O-N 2.86Å
176	L	82.1	Confident	69.5	Low	19 Å²	19	57.1 Å²	57.1	10%	0.099	30%	0.298	C	S	.	.	S	Bend	trans	-74	-9.6	176.1	-67.2	172	0	0	0	112.3	L101 D142 I145 S146 L149 A157 I243	L101-L176 HydrophobicContact CD1-CD2 3.55Å; L101-L176 HydrophobicContact CD1-CG 4.37Å; D142-L176 HydrophobicContact CB-CD1 4.3Å; D142-L176 WeakPolarHBondContact O-CD1 3.37Å; D142-L176 PolarHBondContact OD1-N 3.28Å; I145-L176 HydrophobicContact CB-CB 4.17Å; I145-L176 HydrophobicContact CD1-CB 4.43Å; I145-L176 HydrophobicContact CG2-CB 3.78Å; I145-L176 HydrophobicContact CG2-CD1 4.37Å; S146-L176 VanDerWaalsContact OG-CD1 3.23Å; S146-L176 WeakPolarHBondContact OG-CD1 3.45Å; L149-L176 HydrophobicContact CD1-CD2 4.38Å; A157-L176 HydrophobicContact CB-CD2 3.84Å; L176-I243 HydrophobicContact CD1-CG2 4.25Å
177	A	84	Confident	70	Confident	4 Å²	4	53.8 Å²	53.8	3%	0.033	29%	0.289	C	S	.	.	S	Bend	trans	-123.3	154.9	179.2	0	0	0	0	0	111.1	I145 E175	I145-A177 HydrophobicContact CD1-CB 3.29Å; E175-A177 WeakPolarHBondContact CB-O 3.34Å; E175-A177 PolarHBondContact O-N 2.86Å
178	V	81.6	Confident	70.4	Confident	28 Å²	28	51.1 Å²	51.1	17%	0.17	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124	164.5	177.3	0	0	0	0	108.3	S91 H92 F98 L180 T183	S91-V178 WeakPolarHBondContact CA-O 3.41Å; H92-V178 PolarHBondContact N-O 2.81Å; H92-V178 PolarHBondContact O-N 2.85Å; F98-V178 HydrophobicContact CB-CG2 3.75Å; F98-V178 HydrophobicContact CD1-CG2 4.11Å; F98-V178 HydrophobicContact CD2-CG2 3.93Å; F98-V178 HydrophobicContact CG-CG2 3.65Å; V178-L180 PolarHBondContact O-N 2.84Å; V178-T183 HydrophobicContact CG1-CG2 3.87Å
179	T	83.7	Confident	70.8	Confident	4 Å²	4	42.4 Å²	42.4	3%	0.025	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	126.9	172.8	-44.4	0	0	0	0	111.4	M89 A90 W181 M182	M89-T179 HydrophobicContact SD-CG2 3.28Å; M89-T179 WeakPolarHBondContact SD-CG2 3.18Å; A90-T179 WeakPolarHBondContact O-CG2 3.4Å; T179-W181 VanDerWaalsContact C-N 3.28Å; T179-W181 HydrophobicContact CG2-CD2 4.35Å; T179-W181 HydrophobicContact CG2-CG 4.04Å; T179-W181 HydrophobicContact CG2-CZ2 4.19Å; T179-W181 PolarHBondContact O-N 3.47Å; T179-M182 WeakPolarHBondContact O-CB 3.37Å; T179-M182 PolarHBondContact O-N 2.77Å; T179-M182 WeakPolarHBondContact OG1-CE 3.3Å
180	L	84	Confident	71.2	Confident	7 Å²	7	42.1 Å²	42.1	4%	0.037	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-63.7	-31.7	-171.2	-72.1	-176.6	0	0	0	113.5	Y64 F73 A90 H92 T119 V178 M182 T183	Y64-L180 HydrophobicContact CD1-CD1 4.24Å; Y64-L180 HydrophobicContact CD2-CB 4.39Å; Y64-L180 HydrophobicContact CE1-CD1 3.92Å; Y64-L180 HydrophobicContact CE1-CD2 4.21Å; Y64-L180 HydrophobicContact CE1-CG 4.46Å; Y64-L180 HydrophobicContact CE2-CB 4.34Å; Y64-L180 HydrophobicContact CE2-CD2 4.46Å; F73-L180 HydrophobicContact CD1-CD1 4.43Å; F73-L180 HydrophobicContact CE1-CB 4.07Å; F73-L180 HydrophobicContact CE1-CD1 3.74Å; F73-L180 HydrophobicContact CZ-CB 4.39Å; A90-L180 HydrophobicContact CB-CB 4.4Å; A90-L180 HydrophobicContact CB-CD1 4.31Å; A90-L180 PolarHBondContact O-N 3.47Å; H92-L180 HydrophobicContact CB-CD2 3.56Å; H92-L180 HydrophobicContact CB-CG 4.15Å; T119-L180 HydrophobicContact CG2-CD1 3.74Å; V178-L180 PolarHBondContact O-N 2.84Å; L180-M182 PolarHBondContact O-N 3.34Å; L180-T183 WeakPolarHBondContact O-CB 3.2Å; L180-T183 PolarHBondContact O-N 2.97Å; L180-T183 VanDerWaalsContact O-N 3.1Å; L180-T183 PolarHBondContact O-OG1 2.86Å
181	W	79	Confident	71.6	Confident	39 Å²	39	47.8 Å²	47.8	15%	0.148	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-73	-11.9	178.7	65.5	-102.2	0	0	0	113.7	L62 T179 T183 A186 W222 P224	L62-W181 HydrophobicContact CD1-CB 3.35Å; L62-W181 HydrophobicContact CD1-CG 4.29Å; T179-W181 VanDerWaalsContact C-N 3.28Å; T179-W181 HydrophobicContact CG2-CD2 4.35Å; T179-W181 HydrophobicContact CG2-CG 4.04Å; T179-W181 HydrophobicContact CG2-CZ2 4.19Å; T179-W181 PolarHBondContact O-N 3.47Å; W181-T183 VanDerWaalsContact C-N 3.28Å; W181-A186 HydrophobicContact CB-CB 4.27Å; W181-A186 WeakPolarHBondContact O-CB 3.21Å; W181-W222 HydrophobicContact CE3-CB 3.93Å; W181-W222 HydrophobicContact CH2-CB 4.45Å; W181-W222 WeakPolarHBondContact CH2-O 3.38Å; W181-W222 HydrophobicContact CZ3-CB 3.8Å; W181-W222 WeakPolarHBondContact CZ3-O 3.28Å; W181-P224 HydrophobicContact CH2-CB 4.43Å; W181-P224 VanDerWaalsContact CH2-CD 3.47Å; W181-P224 HydrophobicContact CZ2-CB 3.58Å; W181-P224 VanDerWaalsContact CZ2-CD 3.46Å; W181-P224 HydrophobicContact CZ2-CG 4.09Å
182	M	76	Confident	71.6	Confident	90 Å²	90	44.9 Å²	44.9	44%	0.443	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-83.4	-3.6	169.9	-63.5	-166.5	-76.8	0	0	113.2	T179 L180	T179-M182 WeakPolarHBondContact O-CB 3.37Å; T179-M182 PolarHBondContact O-N 2.77Å; T179-M182 WeakPolarHBondContact OG1-CE 3.3Å; L180-M182 PolarHBondContact O-N 3.34Å
183	T	77.4	Confident	71.4	Confident	30 Å²	30	48.1 Å²	48.1	18%	0.184	27%	0.27	C	S	.	.	S	Bend	trans	-96.9	157.7	-176.6	74.7	0	0	0	0	111.3	Y64 V178 L180 W181 G185 A186	Y64-T183 WeakPolarHBondContact CE2-OG1 3.15Å; V178-T183 HydrophobicContact CG1-CG2 3.87Å; L180-T183 WeakPolarHBondContact O-CB 3.2Å; L180-T183 PolarHBondContact O-N 2.97Å; L180-T183 VanDerWaalsContact O-N 3.1Å; L180-T183 PolarHBondContact O-OG1 2.86Å; W181-T183 VanDerWaalsContact C-N 3.28Å; T183-G185 PolarHBondContact O-N 2.75Å; T183-A186 WeakPolarHBondContact O-CB 3.31Å; T183-A186 PolarHBondContact O-N 2.82Å; T183-A186 VanDerWaalsContact O-N 3.07Å
184	S	79.9	Confident	71.2	Confident	80 Å²	80	55.4 Å²	55.4	56%	0.559	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-11.6	-176.9	64.4	0	0	0	0	115.3	A186	S184-A186 VanDerWaalsContact C-N 3.34Å
185	G	81.6	Confident	70.4	Confident	20 Å²	20	56.7 Å²	56.7	21%	0.206	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-5.7	177.5	0	0	0	0	0	114.2	Y64 K65 T183	Y64-G185 WeakPolarHBondContact CA-O 3.48Å; Y64-G185 VanDerWaalsContact CD2-C 3.49Å; K65-G185 PolarHBondContact N-O 3.01Å; K65-G185 VanDerWaalsContact O-CA 3.32Å; K65-G185 WeakPolarHBondContact O-CA 3.5Å; T183-G185 PolarHBondContact O-N 2.75Å
186	A	84.5	Confident	68.6	Low	25 Å²	25	57.6 Å²	57.6	21%	0.207	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	136.5	-178.6	0	0	0	0	0	111.9	T63 Y64 W181 T183 S184	T63-A186 WeakPolarHBondContact O-CA 3.4Å; Y64-A186 HydrophobicContact CD2-CB 4.07Å; W181-A186 HydrophobicContact CB-CB 4.27Å; W181-A186 WeakPolarHBondContact O-CB 3.21Å; T183-A186 WeakPolarHBondContact O-CB 3.31Å; T183-A186 PolarHBondContact O-N 2.82Å; T183-A186 VanDerWaalsContact O-N 3.07Å; S184-A186 VanDerWaalsContact C-N 3.34Å
187	V	82.5	Confident	66.4	Low	89 Å²	89	60.7 Å²	60.7	54%	0.539	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	127.7	178.2	-177.1	0	0	0	0	108.2	L62 T63	L62-V187 WeakPolarHBondContact CA-O 3.49Å; T63-V187 PolarHBondContact N-O 3.01Å; T63-V187 PolarHBondContact O-N 3.44Å
188	V	75.8	Confident	63.9	Low	31 Å²	31	64.3 Å²	64.3	19%	0.188	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	132.1	173.3	-179.8	0	0	0	0	107.9	E61 L62 V220	E61-V188 WeakPolarHBondContact O-CA 3.48Å; L62-V188 HydrophobicContact CD1-CG2 4.11Å; V188-V220 HydrophobicContact CB-CG1 3.99Å; V188-V220 HydrophobicContact CB-CG2 4.39Å; V188-V220 HydrophobicContact CG1-CG1 4.31Å; V188-V220 HydrophobicContact CG2-CG1 3.83Å
189	T	68.6	Low	61.7	Low	52 Å²	52	69.6 Å²	69.6	32%	0.319	39%	0.393	S	S	.	.	S	Bend	trans	-87.7	-10.2	-172.7	61.7	0	0	0	0	113.6	S58 E61	S58-T189 PolarHBondContact O-OG1 2.97Å; E61-T189 VanDerWaalsContact CB-OG1 3.27Å; E61-T189 WeakPolarHBondContact CB-OG1 3.35Å; E61-T189 HydrophobicContact CG-CG2 4.13Å; E61-T189 PolarHBondContact O-N 3.09Å; E61-T189 VanDerWaalsContact OE2-CB 3.28Å; E61-T189 WeakPolarHBondContact OE2-CB 3.18Å; E61-T189 WeakPolarHBondContact OE2-CG2 3.46Å; E61-T189 PolarHBondContact OE2-OG1 2.81Å
190	G	62.7	Low	59.1	Low	18 Å²	18	78.8 Å²	78.8	19%	0.186	43%	0.433	C	S	.	.	S	Bend	trans	-119.5	168.2	175.8	0	0	0	0	0	115.5	S192	G190-S192 PolarHBondContact O-N 3.41Å; G190-S192 VanDerWaalsContact O-N 3.09Å
191	E	54.7	Low	56.7	Low	195 Å²	195	81.9 Å²	81.9	91%	0.911	46%	0.46	S	S	*	.			trans	-67.9	103.4	166.1	-69.1	-171.6	160.7	0	0	109.3
192	S	48.2	Very low	54.6	Low	19 Å²	19	85.5 Å²	85.5	13%	0.133	48%	0.482	C	S	.	.			trans	-66.7	144.6	165.7	-172.3	0	0	0	0	110.2	G190 R194 W222	G190-S192 PolarHBondContact O-N 3.41Å; G190-S192 VanDerWaalsContact O-N 3.09Å; S192-R194 PolarHBondContact O-N 2.9Å; S192-W222 PolarHBondContact OG-NE1 2.91Å
193	E	44.1	Very low	52.7	Low	140 Å²	140	90.6 Å²	90.6	65%	0.654	50%	0.502	S	S	*	.			trans	-53.7	110.1	165.3	-71.7	-172.7	173.6	0	0	108.8	I195 P227	E193-I195 PolarHBondContact O-N 3.38Å; E193-P227 WeakPolarHBondContact OE2-CB 3.32Å
194	R	39.4	Very low	50.7	Low	207 Å²	207	96.2 Å²	96.2	78%	0.781	53%	0.531	S	S	*	.			trans	-63.7	102.5	172.1	-76.4	-168.1	-175.5	-154.8	3.9	108.4	S192 G196	S192-R194 PolarHBondContact O-N 2.9Å; R194-G196 PolarHBondContact O-N 2.82Å; R194-G196 VanDerWaalsContact O-N 3.12Å
195	I	37.9	Very low	48.5	Very low	42 Å²	42	94.9 Å²	94.9	22%	0.215	52%	0.522	C	S	.	.			trans	-78	97.7	161	-61.8	166.5	0	0	0	107.2	E193 F197 G226	E193-I195 PolarHBondContact O-N 3.38Å; I195-F197 HydrophobicContact CB-CE2 4.25Å; I195-F197 HydrophobicContact CG2-CD2 4.35Å; I195-F197 HydrophobicContact CG2-CE2 3.79Å; I195-F197 HydrophobicContact CG2-CZ 3.94Å; I195-F197 PolarHBondContact O-N 3.34Å; I195-G226 WeakPolarHBondContact CD1-O 3.45Å
196	G	32	Very low	46.1	Very low	71 Å²	71	105.3 Å²	105.3	73%	0.732	55%	0.554	S	S	*	*			trans	-62.2	106	167.2	0	0	0	0	0	109.4	R194 G198	R194-G196 PolarHBondContact O-N 2.82Å; R194-G196 VanDerWaalsContact O-N 3.12Å; G196-G198 PolarHBondContact O-N 3.29Å; G196-G198 VanDerWaalsContact O-N 3.1Å
197	F	37.4	Very low	43.6	Very low	84 Å²	84	109.5 Å²	109.5	37%	0.368	57%	0.568	S	S	.	*			trans	-69	108.3	166.5	-81.2	-83.2	0	0	0	108.8	I195 F199 W225	I195-F197 HydrophobicContact CB-CE2 4.25Å; I195-F197 HydrophobicContact CG2-CD2 4.35Å; I195-F197 HydrophobicContact CG2-CE2 3.79Å; I195-F197 HydrophobicContact CG2-CZ 3.94Å; I195-F197 PolarHBondContact O-N 3.34Å; F197-F199 HydrophobicContact CB-CD2 3.6Å; F197-F199 HydrophobicContact CB-CE2 4.13Å; F197-F199 AromaticContact CD1-CD2 3.82Å; F197-F199 HydrophobicContact CD1-CD2 3.82Å; F197-F199 AromaticContact CD1-CE2 3.44Å; F197-F199 HydrophobicContact CD1-CE2 3.44Å; F197-F199 VanDerWaalsContact CD1-CE2 3.44Å; F197-F199 HydrophobicContact CD1-CZ 4.35Å; F197-F199 HydrophobicContact CE1-CE2 4.29Å; F197-F199 AromaticContact CG-CD2 3.98Å; F197-F199 HydrophobicContact CG-CD2 3.98Å; F197-F199 AromaticContact CG-CE2 3.98Å; F197-F199 HydrophobicContact CG-CE2 3.98Å; F197-F199 PolarHBondContact O-N 3.12Å; F197-W225 HydrophobicContact CE1-CH2 4.39Å; F197-W225 AromaticContact CE1-CZ2 3.82Å; F197-W225 HydrophobicContact CE1-CZ2 3.82Å; F197-W225 AromaticContact CE2-CE2 4Å; F197-W225 HydrophobicContact CE2-CH2 4.39Å; F197-W225 AromaticContact CE2-CZ2 3.38Å; F197-W225 HydrophobicContact CE2-CZ2 3.38Å; F197-W225 AromaticContact CZ-CE2 3.38Å; F197-W225 AromaticContact CZ-CH2 3.88Å; F197-W225 HydrophobicContact CZ-CH2 3.88Å; F197-W225 AromaticContact CZ-CZ2 2.94Å; F197-W225 HydrophobicContact CZ-CZ2 2.94Å; F197-W225 AromaticContact CZ-NE1 3.52Å
198	G	30.5	Very low	41	Very low	79 Å²	79	110.2 Å²	110.2	81%	0.814	58%	0.575	S	S	*	*			trans	-67.9	40.3	166.5	0	0	0	0	0	113	G196 K200	G196-G198 PolarHBondContact O-N 3.29Å; G196-G198 VanDerWaalsContact O-N 3.1Å; G198-K200 PolarHBondContact O-N 3.3Å
199	F	35.5	Very low	39	Very low	139 Å²	139	112.7 Å²	112.7	61%	0.61	59%	0.587	S	S	*	*			trans	-68.7	87.7	165.1	-77.7	-64.9	0	0	0	107.3	F197 A201	F197-F199 HydrophobicContact CB-CD2 3.6Å; F197-F199 HydrophobicContact CB-CE2 4.13Å; F197-F199 AromaticContact CD1-CD2 3.82Å; F197-F199 HydrophobicContact CD1-CD2 3.82Å; F197-F199 AromaticContact CD1-CE2 3.44Å; F197-F199 HydrophobicContact CD1-CE2 3.44Å; F197-F199 VanDerWaalsContact CD1-CE2 3.44Å; F197-F199 HydrophobicContact CD1-CZ 4.35Å; F197-F199 HydrophobicContact CE1-CE2 4.29Å; F197-F199 AromaticContact CG-CD2 3.98Å; F197-F199 HydrophobicContact CG-CD2 3.98Å; F197-F199 AromaticContact CG-CE2 3.98Å; F197-F199 HydrophobicContact CG-CE2 3.98Å; F197-F199 PolarHBondContact O-N 3.12Å; F199-A201 VanDerWaalsContact C-N 3.34Å; F199-A201 PolarHBondContact O-N 3.41Å
200	K	29.1	Very low	37.2	Very low	197 Å²	197	113.8 Å²	113.8	86%	0.857	60%	0.595	S	S	*	*			trans	-59.8	107.9	154.5	-77.4	-175.2	178	178.8	0	105.4	G198 D202	G198-K200 PolarHBondContact O-N 3.3Å; K200-D202 PolarHBondContact O-N 3.22Å
201	A	34.6	Very low	35.6	Very low	73 Å²	73	119 Å²	119	60%	0.603	62%	0.619	S	S	*	*			trans	-49.8	116.1	169	0	0	0	0	0	107.7	F199 K203	F199-A201 VanDerWaalsContact C-N 3.34Å; F199-A201 PolarHBondContact O-N 3.41Å; A201-K203 PolarHBondContact O-N 2.87Å
202	D	34.8	Very low	34.6	Very low	115 Å²	115	114 Å²	114	62%	0.615	60%	0.598	S	S	*	*			trans	-68.1	103.6	171.1	-174.6	-1.2	0	0	0	107.1	K200 N204 S205	K200-D202 PolarHBondContact O-N 3.22Å; D202-N204 PolarHBondContact O-N 3.1Å; D202-N204 PolarHBondContact OD1-N 3.11Å; D202-N204 VanDerWaalsContact OD1-N 3.14Å; D202-S205 PolarHBondContact O-N 3.36Å
203	K	36.4	Very low	33.5	Very low	197 Å²	197	117.3 Å²	117.3	86%	0.857	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-13.5	-177.8	-69.8	-173.9	176.5	-176.2	0	112.8	A201	A201-K203 PolarHBondContact O-N 2.87Å
204	N	34.1	Very low	32.8	Very low	147 Å²	147	116.3 Å²	116.3	79%	0.786	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	5.7	-177.8	-68.2	-19.6	0	0	0	113.9	D202 R206	D202-N204 PolarHBondContact O-N 3.1Å; D202-N204 PolarHBondContact OD1-N 3.11Å; D202-N204 VanDerWaalsContact OD1-N 3.14Å; N204-R206 PolarHBondContact O-N 2.91Å
205	S	34.6	Very low	32.3	Very low	53 Å²	53	114 Å²	114	37%	0.371	61%	0.612	S	S	.	*			trans	-65.4	122.2	170.2	169.6	0	0	0	0	110.3	D202 F207	D202-S205 PolarHBondContact O-N 3.36Å; S205-F207 WeakPolarHBondContact CB-O 3.24Å; S205-F207 CarbonylContact O-C 3.56Å; S205-F207 PolarHBondContact O-N 2.94Å; S205-F207 VanDerWaalsContact O-N 3.11Å; S205-F207 PolarHBondContact OG-N 3.49Å; S205-F207 PolarHBondContact OG-O 3.27Å
206	R	30.8	Very low	31.8	Very low	238 Å²	238	119.6 Å²	119.6	90%	0.898	64%	0.642	S	S	*	*	S	Bend	trans	-66	-8.4	176.2	-151.2	-177.2	-72.1	-176.7	-1.8	113	N204	N204-R206 PolarHBondContact O-N 2.91Å
207	F	32.7	Very low	31.7	Very low	114 Å²	114	121.4 Å²	121.4	50%	0.5	63%	0.632	S	S	.	*	S	Bend	trans	-105.3	106.8	164.5	-61.6	-81.7	0	0	0	107.5	L167 T169 S205 N209	L167-F207 HydrophobicContact CD1-CE2 4.04Å; L167-F207 HydrophobicContact CD1-CZ 3.8Å; L167-F207 HydrophobicContact CD2-CE2 3.96Å; L167-F207 HydrophobicContact CD2-CZ 4.13Å; T169-F207 HydrophobicContact CG2-CD2 4.46Å; S205-F207 WeakPolarHBondContact CB-O 3.24Å; S205-F207 CarbonylContact O-C 3.56Å; S205-F207 PolarHBondContact O-N 2.94Å; S205-F207 VanDerWaalsContact O-N 3.11Å; S205-F207 PolarHBondContact OG-N 3.49Å; S205-F207 PolarHBondContact OG-O 3.27Å; F207-N209 PolarHBondContact O-N 3.38Å
208	P	27.9	Very low	31.5	Very low	103 Å²	103	122.9 Å²	122.9	67%	0.669	65%	0.65	S	S	*	*			trans	-57.2	126.9	167	24.6	-29.3	0	0	0	106.2	P210	P208-P210 VanDerWaalsContact C-N 3.35Å; P208-P210 WeakPolarHBondContact O-CD 3.35Å; P208-P210 WeakPolarHBondContact O-CG 2.85Å
209	N	32.7	Very low	31.7	Very low	84 Å²	84	123.7 Å²	123.7	45%	0.449	64%	0.642	S	S	.	*			trans	-58	94.9	174.5	-171.3	6.1	0	0	0	107.5	F207 N211	F207-N209 PolarHBondContact O-N 3.38Å; N209-N211 PolarHBondContact O-N 3.18Å; N209-N211 VanDerWaalsContact O-N 3.1Å
210	P	31.9	Very low	31.7	Very low	75 Å²	75	119.9 Å²	119.9	49%	0.487	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.9	100.1	-165.6	19.8	-1.9	0	0	0	105.6	P208	P208-P210 VanDerWaalsContact C-N 3.35Å; P208-P210 WeakPolarHBondContact O-CD 3.35Å; P208-P210 WeakPolarHBondContact O-CG 2.85Å
211	N	27.9	Very low	32.4	Very low	128 Å²	128	112.9 Å²	112.9	68%	0.684	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	83.6	47.2	169.8	-51.8	-32.2	0	0	0	118.3	N209	N209-N211 PolarHBondContact O-N 3.18Å; N209-N211 VanDerWaalsContact O-N 3.1Å
212	L	33	Very low	32.8	Very low	90 Å²	90	112.2 Å²	112.2	47%	0.471	59%	0.588	S	S	.	*			trans	-99.2	12	139	-96.9	164.5	0	0	0	112.4	M214	L212-M214 PolarHBondContact O-N 2.87Å
213	T	26.5	Very low	33.5	Very low	88 Å²	88	106.9 Å²	106.9	54%	0.54	56%	0.561	S	S	.	*			trans	-69.5	73.1	165	47.2	0	0	0	0	109.6	H215	T213-H215 PolarHBondContact O-N 2.83Å
214	M	29.1	Very low	34.1	Very low	118 Å²	118	98.2 Å²	98.2	58%	0.581	52%	0.524	S	S	*	.			trans	-67.1	53.6	162	-65.1	-135.7	89.3	0	0	110.1	L212 N216 Q217	L212-M214 PolarHBondContact O-N 2.87Å; M214-N216 VanDerWaalsContact C-N 3.31Å; M214-Q217 HydrophobicContact CE-CB 4.03Å; M214-Q217 HydrophobicContact CE-CG 4.37Å
215	H	28.2	Very low	35.1	Very low	159 Å²	159	93.4 Å²	93.4	74%	0.736	50%	0.495	S	S	*	.			trans	-82.8	-6.1	-178.9	-91.7	-57.9	0	0	0	113.4	T213	T213-H215 PolarHBondContact O-N 2.83Å
216	N	29	Very low	36.2	Very low	160 Å²	160	91.4 Å²	91.4	86%	0.856	48%	0.483	S	S	*	.	S	Bend	trans	-137.9	17	-178.3	-84.8	-17.5	0	0	0	115.9	M214	M214-N216 VanDerWaalsContact C-N 3.31Å
217	Q	30	Very low	37.3	Very low	109 Å²	109	83.1 Å²	83.1	51%	0.509	46%	0.46	S	S	.	.			trans	-111.2	112	163.1	-72	-151.9	-40.2	0	0	109.9	M214	M214-Q217 HydrophobicContact CE-CB 4.03Å; M214-Q217 HydrophobicContact CE-CG 4.37Å
218	P	32	Very low	38.7	Very low	115 Å²	115	81.9 Å²	81.9	75%	0.747	45%	0.452	S	S	*	.			trans	-72.5	139.3	169.4	30.8	-28.9	0	0	0	108.7
219	S	35.4	Very low	40.8	Very low	95 Å²	95	77.8 Å²	77.8	66%	0.664	43%	0.428	S	S	*	.	S	Bend	trans	81.1	125.3	161	74.1	0	0	0	0	119
220	V	36.1	Very low	43.1	Very low	60 Å²	60	76.5 Å²	76.5	36%	0.364	43%	0.425	S	S	.	.			trans	84.8	94.2	163.3	-164.4	0	0	0	0	117.4	V188	V188-V220 HydrophobicContact CB-CG1 3.99Å; V188-V220 HydrophobicContact CB-CG2 4.39Å; V188-V220 HydrophobicContact CG1-CG1 4.31Å; V188-V220 HydrophobicContact CG2-CG1 3.83Å
221	S	41.7	Very low	45.6	Very low	49 Å²	49	73.4 Å²	73.4	34%	0.343	40%	0.404	S	S	.	.			trans	-100.6	80.8	162.5	63.8	0	0	0	0	109.7
222	W	43.1	Very low	48.4	Very low	59 Å²	59	70.2 Å²	70.2	22%	0.223	39%	0.39	C	S	.	.			trans	-61.6	138.8	151.2	-85.2	81.7	0	0	0	106.2	W181 S192	W181-W222 HydrophobicContact CE3-CB 3.93Å; W181-W222 HydrophobicContact CH2-CB 4.45Å; W181-W222 WeakPolarHBondContact CH2-O 3.38Å; W181-W222 HydrophobicContact CZ3-CB 3.8Å; W181-W222 WeakPolarHBondContact CZ3-O 3.28Å; S192-W222 PolarHBondContact OG-NE1 2.91Å
223	G	49.6	Very low	50.8	Low	4 Å²	4	71.2 Å²	71.2	4%	0.041	40%	0.395	C	S	.	.			trans	-83.8	162.7	154.1	0	0	0	0	0	108.9	W225 G226	G223-W225 VanDerWaalsContact CA-CE2 3.44Å; G223-W225 PolarHBondContact O-N 3.31Å; G223-G226 PolarHBondContact O-N 3.14Å
224	P	49.2	Very low	53.7	Low	14 Å²	14	68.6 Å²	68.6	9%	0.091	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-18	167.1	22.3	-29.7	0	0	0	111.6	M89 L138 W181	M89-P224 HydrophobicContact CE-CB 4.01Å; L138-P224 HydrophobicContact CD2-CB 3.58Å; L138-P224 HydrophobicContact CD2-CG 4.02Å; W181-P224 HydrophobicContact CH2-CB 4.43Å; W181-P224 VanDerWaalsContact CH2-CD 3.47Å; W181-P224 HydrophobicContact CZ2-CB 3.58Å; W181-P224 VanDerWaalsContact CZ2-CD 3.46Å; W181-P224 HydrophobicContact CZ2-CG 4.09Å
225	W	55.1	Low	56.5	Low	47 Å²	47	63 Å²	63	18%	0.178	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	0.6	175.2	49	78.4	0	0	0	115.4	H134 L138 F197 G223 W228 G229 P230	H134-W225 WeakPolarHBondContact CE1-CB 3.21Å; L138-W225 HydrophobicContact CD1-CB 4.41Å; F197-W225 HydrophobicContact CE1-CH2 4.39Å; F197-W225 AromaticContact CE1-CZ2 3.82Å; F197-W225 HydrophobicContact CE1-CZ2 3.82Å; F197-W225 AromaticContact CE2-CE2 4Å; F197-W225 HydrophobicContact CE2-CH2 4.39Å; F197-W225 AromaticContact CE2-CZ2 3.38Å; F197-W225 HydrophobicContact CE2-CZ2 3.38Å; F197-W225 AromaticContact CZ-CE2 3.38Å; F197-W225 AromaticContact CZ-CH2 3.88Å; F197-W225 HydrophobicContact CZ-CH2 3.88Å; F197-W225 AromaticContact CZ-CZ2 2.94Å; F197-W225 HydrophobicContact CZ-CZ2 2.94Å; F197-W225 AromaticContact CZ-NE1 3.52Å; G223-W225 VanDerWaalsContact CA-CE2 3.44Å; G223-W225 PolarHBondContact O-N 3.31Å; W225-W228 VanDerWaalsContact O-CB 3.23Å; W225-W228 WeakPolarHBondContact O-CB 3.33Å; W225-W228 PolarHBondContact O-N 3.01Å; W225-G229 VanDerWaalsContact CB-C 3.43Å; W225-G229 WeakPolarHBondContact CB-O 3.38Å; W225-P230 HydrophobicContact CE3-CB 4.19Å; W225-P230 HydrophobicContact CZ3-CB 4.47Å
226	G	59.2	Low	59.2	Low	10 Å²	10	58.8 Å²	58.8	10%	0.103	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	52.4	-137.5	-173.9	0	0	0	0	0	111.7	I195 G223 W228	I195-G226 WeakPolarHBondContact CD1-O 3.45Å; G223-G226 PolarHBondContact O-N 3.14Å; G226-W228 PolarHBondContact O-N 2.85Å
227	P	52.9	Low	61.9	Low	65 Å²	65	55.1 Å²	55.1	42%	0.422	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-69.7	-8.1	176.2	30	-35.6	0	0	0	114.5	E193 G229	E193-P227 WeakPolarHBondContact OE2-CB 3.32Å; P227-G229 PolarHBondContact O-N 3.02Å
228	W	63.1	Low	64.7	Low	88 Å²	88	50.9 Å²	50.9	33%	0.333	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-84.5	-12.9	-164.1	-53.3	106.8	0	0	0	115.3	P83 V84 H130 H134 W225 G226	P83-W228 VanDerWaalsContact CA-CH2 3.49Å; P83-W228 HydrophobicContact CB-CE3 4.32Å; P83-W228 HydrophobicContact CB-CH2 2.96Å; P83-W228 HydrophobicContact CB-CZ2 3.68Å; P83-W228 HydrophobicContact CB-CZ3 3.32Å; P83-W228 HydrophobicContact CG-CH2 4.39Å; P83-W228 HydrophobicContact CG-CZ3 4.47Å; V84-W228 HydrophobicContact CB-CZ2 4.36Å; V84-W228 HydrophobicContact CG2-CZ2 4.32Å; H130-W228 AromaticContact CD2-CE3 4Å; H130-W228 AromaticContact NE2-CE3 3.96Å; H134-W228 VanDerWaalsContact CE1-CB 3.49Å; H134-W228 WeakPolarHBondContact CE1-CB 3.5Å; W225-W228 VanDerWaalsContact O-CB 3.23Å; W225-W228 WeakPolarHBondContact O-CB 3.33Å; W225-W228 PolarHBondContact O-N 3.01Å; G226-W228 PolarHBondContact O-N 2.85Å
229	G	72.1	Confident	67.4	Low	16 Å²	16	46.2 Å²	46.2	17%	0.165	26%	0.263	C	S	.	.			trans	71.6	170.6	-175.5	0	0	0	0	0	114.3	H134 W225 P227	H134-G229 PolarHBondContact NE2-O 3.31Å; W225-G229 VanDerWaalsContact CB-C 3.43Å; W225-G229 WeakPolarHBondContact CB-O 3.38Å; P227-G229 PolarHBondContact O-N 3.02Å
230	P	79.7	Confident	69.8	Low	58 Å²	58	42.6 Å²	42.6	38%	0.377	24%	0.236	S	C	.	.	S	Bend	trans	-63.9	159.7	-179.4	29.6	-36.8	0	0	0	111.8	W225	W225-P230 HydrophobicContact CE3-CB 4.19Å; W225-P230 HydrophobicContact CZ3-CB 4.47Å
231	L	85.8	Confident	72.4	Confident	9 Å²	9	41 Å²	41	5%	0.047	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-57.6	149.2	172.3	-66.9	172	0	0	0	111.6	A135 L138 L139 V235 R236	A135-L231 HydrophobicContact CB-CD2 4.12Å; L138-L231 HydrophobicContact CB-CD1 4.03Å; L138-L231 HydrophobicContact CB-CG 4.49Å; L138-L231 HydrophobicContact CD1-CD1 4.16Å; L138-L231 HydrophobicContact CD1-CD2 4.13Å; L138-L231 HydrophobicContact CD1-CG 3.69Å; L139-L231 HydrophobicContact CD1-CD1 4.1Å; L139-L231 HydrophobicContact CD2-CD1 3.69Å; L139-L231 HydrophobicContact CG-CD1 3.86Å; L231-V235 HydrophobicContact CB-CB 4.34Å; L231-V235 HydrophobicContact CB-CG1 4.34Å; L231-V235 HydrophobicContact CD1-CG1 4.03Å; L231-R236 HydrophobicContact CB-CG 3.82Å; L231-R236 WeakPolarHBondContact O-CD 3.43Å; L231-R236 PolarHBondContact O-NE 3.04Å
232	P	86.2	Confident	74.8	Confident	61 Å²	61	40 Å²	40	40%	0.396	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-51.6	151.1	173.3	-30	39.5	0	0	0	112.6	S234 V235 R236 A354	P232-S234 VanDerWaalsContact C-N 3.3Å; P232-S234 PolarHBondContact O-N 2.89Å; P232-V235 HydrophobicContact CB-CG2 4.18Å; P232-V235 HydrophobicContact CG-CG2 4.42Å; P232-V235 PolarHBondContact O-N 3.27Å; P232-R236 PolarHBondContact O-N 3.06Å; P232-R236 VanDerWaalsContact O-N 3.14Å; P232-A354 HydrophobicContact CB-CB 3.74Å; P232-A354 HydrophobicContact CG-CB 3.67Å
233	L	83.9	Confident	77.2	Confident	111 Å²	111	37.4 Å²	37.4	58%	0.581	21%	0.212	S	C	*	.	H	α-helix	trans	-53.9	-45.1	-177.3	-80.4	162.1	0	0	0	112.5	V235 R236 D237	L233-V235 PolarHBondContact O-N 3.08Å; L233-R236 VanDerWaalsContact CG-NH2 3.35Å; L233-R236 PolarHBondContact O-N 3.47Å; L233-D237 WeakPolarHBondContact O-CB 3.48Å; L233-D237 PolarHBondContact O-N 2.69Å
234	S	85.8	Confident	79.3	Confident	34 Å²	34	37.5 Å²	37.5	24%	0.238	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-40.5	-179.3	51.6	0	0	0	0	113.6	P232 D237 A238 D352	P232-S234 VanDerWaalsContact C-N 3.3Å; P232-S234 PolarHBondContact O-N 2.89Å; S234-D237 PolarHBondContact O-N 3.01Å; S234-A238 WeakPolarHBondContact O-CB 3.25Å; S234-A238 PolarHBondContact O-N 3.46Å; S234-D352 WeakPolarHBondContact CB-OD2 3.46Å; S234-D352 PolarHBondContact OG-OD1 2.97Å; S234-D352 PolarHBondContact OG-OD2 2.79Å
235	V	89.7	Confident	81.5	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-43.9	176.2	-176.9	0	0	0	0	110.5	L139 L231 P232 L233 A238 H239 M338 A354 L355 I358	L139-V235 HydrophobicContact CD1-CG1 4.46Å; L231-V235 HydrophobicContact CB-CB 4.34Å; L231-V235 HydrophobicContact CB-CG1 4.34Å; L231-V235 HydrophobicContact CD1-CG1 4.03Å; P232-V235 HydrophobicContact CB-CG2 4.18Å; P232-V235 HydrophobicContact CG-CG2 4.42Å; P232-V235 PolarHBondContact O-N 3.27Å; L233-V235 PolarHBondContact O-N 3.08Å; V235-A238 PolarHBondContact O-N 3.24Å; V235-H239 WeakPolarHBondContact O-CB 3.49Å; V235-H239 PolarHBondContact O-N 3.07Å; V235-M338 HydrophobicContact CG1-SD 4.32Å; V235-A354 HydrophobicContact CG2-CB 4.01Å; V235-L355 HydrophobicContact CB-CD2 4.41Å; V235-L355 HydrophobicContact CG1-CD2 4.39Å; V235-L355 HydrophobicContact CG2-CD2 3.92Å; V235-L355 HydrophobicContact CG2-CG 4.09Å; V235-I358 HydrophobicContact CB-CD1 4.38Å; V235-I358 HydrophobicContact CG1-CD1 3.87Å; V235-I358 HydrophobicContact CG2-CD1 3.57Å
236	R	84.9	Confident	83.4	Confident	71 Å²	71	40.2 Å²	40.2	27%	0.268	22%	0.224	S	C	.	.	H	α-helix	trans	-67.8	-35.7	177.4	-65.6	-178.3	-67.4	178.3	-6.1	112.6	R171 L231 P232 L233 I240	R171-R236 VanDerWaalsContact NH1-CB 3.27Å; L231-R236 HydrophobicContact CB-CG 3.82Å; L231-R236 WeakPolarHBondContact O-CD 3.43Å; L231-R236 PolarHBondContact O-NE 3.04Å; P232-R236 PolarHBondContact O-N 3.06Å; P232-R236 VanDerWaalsContact O-N 3.14Å; L233-R236 VanDerWaalsContact CG-NH2 3.35Å; L233-R236 PolarHBondContact O-N 3.47Å; R236-I240 PolarHBondContact O-N 2.72Å
237	D	83.9	Confident	85.1	Confident	83 Å²	83	39.7 Å²	39.7	44%	0.444	22%	0.219	S	C	.	.	H	α-helix	trans	-64.4	-47.6	175.8	-71.5	-14.9	0	0	0	111	R171 L233 S234 H239 G241	R171-D237 IonicContact CZ-OD1 2.98Å; R171-D237 IonicContact NH1-OD1 3.68Å; R171-D237 PolarHBondContact NH1-OD1 3.1Å; R171-D237 IonicContact NH2-OD1 3.74Å; R171-D237 PolarHBondContact NH2-OD1 3.44Å; L233-D237 WeakPolarHBondContact O-CB 3.48Å; L233-D237 PolarHBondContact O-N 2.69Å; S234-D237 PolarHBondContact O-N 3.01Å; D237-H239 VanDerWaalsContact C-N 3.34Å; D237-H239 PolarHBondContact O-N 3.17Å; D237-G241 PolarHBondContact O-N 3.34Å
238	A	88.7	Confident	87.1	Confident	20 Å²	20	40.7 Å²	40.7	17%	0.165	22%	0.218	C	C	.	.	H	α-helix	trans	-58.1	-48.4	175	0	0	0	0	0	110.6	S234 V235 I240 G241 H242 A341	S234-A238 WeakPolarHBondContact O-CB 3.25Å; S234-A238 PolarHBondContact O-N 3.46Å; V235-A238 PolarHBondContact O-N 3.24Å; A238-I240 PolarHBondContact O-N 3.27Å; A238-G241 PolarHBondContact O-N 2.94Å; A238-G241 VanDerWaalsContact O-N 3.14Å; A238-H242 PolarHBondContact O-CD2 2.82Å; A238-H242 PolarHBondContact O-N 2.88Å; A238-H242 PolarHBondContact O-ND1 2.8Å; A238-A341 HydrophobicContact CB-CB 4.22Å
239	H	89.9	Confident	88.6	Confident	17 Å²	17	39.1 Å²	39.1	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-54.4	-49.1	-178.9	-177.8	-137.8	0	0	0	114.2	L139 D142 Y143 V235 D237 G241 H242 I243	L139-H239 HydrophobicContact CD2-CB 4.02Å; L139-H239 VanDerWaalsContact CD2-CE1 3.46Å; L139-H239 WeakPolarHBondContact CD2-CE1 3.46Å; L139-H239 VanDerWaalsContact CD2-CG 3.46Å; L139-H239 VanDerWaalsContact CD2-ND1 3.34Å; L139-H239 WeakPolarHBondContact CD2-ND1 3.44Å; D142-H239 IonicContact OD2-CE1 2.95Å; D142-H239 PolarHBondContact OD2-CE1 3.38Å; D142-H239 IonicContact OD2-NE2 3.63Å; Y143-H239 AromaticContact CE2-CD2 3.58Å; Y143-H239 AromaticContact CE2-NE2 3.55Å; V235-H239 WeakPolarHBondContact O-CB 3.49Å; V235-H239 PolarHBondContact O-N 3.07Å; D237-H239 VanDerWaalsContact C-N 3.34Å; D237-H239 PolarHBondContact O-N 3.17Å; H239-G241 VanDerWaalsContact C-N 3.3Å; H239-G241 PolarHBondContact O-N 3.44Å; H239-H242 WeakPolarHBondContact O-CB 3.45Å; H239-H242 PolarHBondContact O-N 2.86Å; H239-H242 VanDerWaalsContact O-N 3.14Å; H239-I243 WeakPolarHBondContact NE2-CG1 3.19Å; H239-I243 WeakPolarHBondContact O-CG1 3.31Å; H239-I243 PolarHBondContact O-N 3.31Å
240	I	85.7	Confident	89.6	Confident	18 Å²	18	38.8 Å²	38.8	9%	0.092	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-42.4	179.9	-67.6	169.5	0	0	0	110.8	L161 R236 A238 H242 S244	L161-I240 HydrophobicContact CD2-CG2 4.43Å; R236-I240 PolarHBondContact O-N 2.72Å; A238-I240 PolarHBondContact O-N 3.27Å; I240-H242 VanDerWaalsContact C-N 3.32Å; I240-S244 WeakPolarHBondContact O-CB 3.36Å; I240-S244 PolarHBondContact O-N 2.95Å; I240-S244 PolarHBondContact O-OG 2.94Å
241	G	89.6	Confident	90.2	Very high	28 Å²	28	38.3 Å²	38.3	29%	0.289	20%	0.203	S	C	.	.	H	α-helix	trans	-61.5	-42.1	175.7	0	0	0	0	0	112.2	D237 A238 H239 K245	D237-G241 PolarHBondContact O-N 3.34Å; A238-G241 PolarHBondContact O-N 2.94Å; A238-G241 VanDerWaalsContact O-N 3.14Å; H239-G241 VanDerWaalsContact C-N 3.3Å; H239-G241 PolarHBondContact O-N 3.44Å; G241-K245 WeakPolarHBondContact O-CB 3.48Å; G241-K245 PolarHBondContact O-N 2.97Å
242	H	94.1	Very high	90.5	Very high	27 Å²	27	42.1 Å²	42.1	13%	0.125	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-47.8	178.9	-61.8	161.5	0	0	0	112.9	Y143 A238 H239 I240 S244 K245 F246 D337 M338	Y143-H242 WeakPolarHBondContact OH-CB 3.47Å; A238-H242 PolarHBondContact O-CD2 2.82Å; A238-H242 PolarHBondContact O-N 2.88Å; A238-H242 PolarHBondContact O-ND1 2.8Å; H239-H242 WeakPolarHBondContact O-CB 3.45Å; H239-H242 PolarHBondContact O-N 2.86Å; H239-H242 VanDerWaalsContact O-N 3.14Å; I240-H242 VanDerWaalsContact C-N 3.32Å; H242-S244 VanDerWaalsContact C-N 3.33Å; H242-S244 PolarHBondContact O-N 3.41Å; H242-K245 PolarHBondContact O-N 2.67Å; H242-F246 WeakPolarHBondContact O-CB 3.36Å; H242-F246 PolarHBondContact O-N 3.04Å; H242-D337 HydrophobicContact CB-CB 4.13Å; H242-D337 WeakPolarHBondContact CB-OD2 3.34Å; H242-D337 PolarHBondContact CE1-O 3.33Å; H242-D337 IonicContact CG-OD2 3.53Å; H242-M338 WeakPolarHBondContact ND1-CE 3.31Å
243	I	93.3	Very high	90.4	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-63.1	-41	177.7	-63.9	-60.5	0	0	0	111.1	D142 Y143 L161 L176 H239 K245 F246 L247	D142-I243 HydrophobicContact CB-CD1 3.85Å; D142-I243 HydrophobicContact CB-CG1 4.16Å; Y143-I243 HydrophobicContact CD1-CD1 3.81Å; Y143-I243 HydrophobicContact CD2-CD1 3.73Å; Y143-I243 HydrophobicContact CE1-CD1 3.83Å; Y143-I243 HydrophobicContact CE2-CD1 3.77Å; Y143-I243 HydrophobicContact CG-CD1 3.76Å; L161-I243 HydrophobicContact CD1-CB 4.44Å; L161-I243 HydrophobicContact CD1-CG2 3.71Å; L176-I243 HydrophobicContact CD1-CG2 4.25Å; H239-I243 WeakPolarHBondContact NE2-CG1 3.19Å; H239-I243 WeakPolarHBondContact O-CG1 3.31Å; H239-I243 PolarHBondContact O-N 3.31Å; I243-K245 PolarHBondContact O-N 3.13Å; I243-F246 PolarHBondContact O-N 3.48Å; I243-L247 HydrophobicContact CG2-CD1 4.03Å; I243-L247 HydrophobicContact CG2-CG 4.41Å; I243-L247 WeakPolarHBondContact O-CG 3.33Å; I243-L247 PolarHBondContact O-N 3.27Å
244	S	93.4	Very high	90	Very high	7 Å²	7	41.4 Å²	41.4	5%	0.049	22%	0.219	C	C	.	.	H	α-helix	trans	-59	-50	175.5	-53.2	0	0	0	0	110.8	L158 I240 H242 F246 L247 E248	L158-S244 WeakPolarHBondContact CD1-O 3.45Å; I240-S244 WeakPolarHBondContact O-CB 3.36Å; I240-S244 PolarHBondContact O-N 2.95Å; I240-S244 PolarHBondContact O-OG 2.94Å; H242-S244 VanDerWaalsContact C-N 3.33Å; H242-S244 PolarHBondContact O-N 3.41Å; S244-F246 VanDerWaalsContact C-N 3.32Å; S244-F246 PolarHBondContact O-N 3.08Å; S244-L247 PolarHBondContact O-N 3Å; S244-E248 WeakPolarHBondContact O-CG 3.28Å; S244-E248 PolarHBondContact O-N 2.84Å
245	K	94.5	Very high	89.3	Confident	107 Å²	107	47.2 Å²	47.2	47%	0.465	25%	0.247	S	C	.	.	H	α-helix	trans	-62.2	-38.9	177.8	-170.9	-174.3	178.2	-158.2	0	112.2	G241 H242 I243 E248 E249	G241-K245 WeakPolarHBondContact O-CB 3.48Å; G241-K245 PolarHBondContact O-N 2.97Å; H242-K245 PolarHBondContact O-N 2.67Å; I243-K245 PolarHBondContact O-N 3.13Å; K245-E248 WeakPolarHBondContact O-CB 3.44Å; K245-E248 PolarHBondContact O-N 3.18Å; K245-E249 WeakPolarHBondContact CE-OE1 3.44Å; K245-E249 WeakPolarHBondContact CG-OE1 3.48Å; K245-E249 IonicContact NZ-OE1 3.8Å; K245-E249 VanDerWaalsContact O-CG 3.28Å; K245-E249 WeakPolarHBondContact O-CG 3.24Å; K245-E249 PolarHBondContact O-N 2.84Å
246	F	95.7	Very high	88.3	Confident	10 Å²	10	54.8 Å²	54.8	4%	0.044	28%	0.282	C	S	.	.	H	α-helix	trans	-66.9	-42.1	179	-176.8	-144.5	0	0	0	111.5	Y143 H242 I243 S244 E249 L250 R333	Y143-F246 AromaticContact CD1-CD1 3.98Å; Y143-F246 HydrophobicContact CD1-CD1 3.98Å; Y143-F246 HydrophobicContact CD1-CE1 4.3Å; Y143-F246 WeakPolarHBondContact O-CE1 3.47Å; H242-F246 WeakPolarHBondContact O-CB 3.36Å; H242-F246 PolarHBondContact O-N 3.04Å; I243-F246 PolarHBondContact O-N 3.48Å; S244-F246 VanDerWaalsContact C-N 3.32Å; S244-F246 PolarHBondContact O-N 3.08Å; F246-E249 PolarHBondContact O-N 3.13Å; F246-L250 HydrophobicContact CD1-CD1 4.18Å; F246-L250 HydrophobicContact CD2-CD1 4.07Å; F246-L250 HydrophobicContact CD2-CG 3.98Å; F246-L250 HydrophobicContact CE1-CD1 3.96Å; F246-L250 HydrophobicContact CE2-CD1 3.84Å; F246-L250 HydrophobicContact CE2-CD2 3.89Å; F246-L250 HydrophobicContact CE2-CG 3.73Å; F246-L250 HydrophobicContact CG-CD1 4.24Å; F246-L250 HydrophobicContact CZ-CD1 3.79Å; F246-L250 HydrophobicContact CZ-CD2 4.18Å; F246-L250 HydrophobicContact CZ-CG 4.15Å; F246-L250 WeakPolarHBondContact O-CB 3.45Å; F246-L250 WeakPolarHBondContact O-CG 3.21Å; F246-L250 PolarHBondContact O-N 3.48Å; F246-R333 HydrophobicContact CD1-CG 4.36Å; F246-R333 HydrophobicContact CD2-CG 3.94Å; F246-R333 HydrophobicContact CE2-CB 4.38Å; F246-R333 HydrophobicContact CE2-CG 4.19Å; F246-R333 HydrophobicContact CG-CG 4.04Å; F246-R333 HydrophobicContact CZ-CB 4.37Å; F246-R333 HydrophobicContact CZ-CG 4.49Å
247	L	94.5	Very high	87.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-40.9	173	-70.4	168.8	0	0	0	112	L149 A157 L158 L161 I243 S244 L250 L251	L149-L247 HydrophobicContact CD1-CD2 4.46Å; A157-L247 HydrophobicContact CB-CD1 4.02Å; L158-L247 HydrophobicContact CB-CB 4.42Å; L158-L247 HydrophobicContact CB-CD1 4.37Å; L158-L247 HydrophobicContact CD1-CB 4.42Å; L161-L247 HydrophobicContact CD1-CD1 3.71Å; I243-L247 HydrophobicContact CG2-CD1 4.03Å; I243-L247 HydrophobicContact CG2-CG 4.41Å; I243-L247 WeakPolarHBondContact O-CG 3.33Å; I243-L247 PolarHBondContact O-N 3.27Å; S244-L247 PolarHBondContact O-N 3Å; L247-L250 PolarHBondContact O-N 3.23Å; L247-L251 WeakPolarHBondContact O-CB 3.43Å; L247-L251 VanDerWaalsContact O-CG 3.29Å; L247-L251 WeakPolarHBondContact O-CG 3.4Å; L247-L251 PolarHBondContact O-N 2.99Å
248	E	95.5	Very high	86.7	Confident	85 Å²	85	57.2 Å²	57.2	40%	0.397	29%	0.291	S	S	.	.	H	α-helix	trans	-58.9	-48	173.6	-71.6	165.3	-170.2	0	0	111.5	L158 H162 S244 K245 L250 L251 S252	L158-E248 HydrophobicContact CD1-CG 3.96Å; L158-E248 HydrophobicContact CD2-CG 3.63Å; L158-E248 HydrophobicContact CG-CG 4.45Å; H162-E248 IonicContact CE1-OE1 2.89Å; H162-E248 PolarHBondContact CE1-OE1 2.98Å; H162-E248 IonicContact NE2-OE1 3.58Å; S244-E248 WeakPolarHBondContact O-CG 3.28Å; S244-E248 PolarHBondContact O-N 2.84Å; K245-E248 WeakPolarHBondContact O-CB 3.44Å; K245-E248 PolarHBondContact O-N 3.18Å; E248-L250 PolarHBondContact O-N 2.94Å; E248-L251 PolarHBondContact O-N 3.47Å; E248-S252 WeakPolarHBondContact O-CB 3.36Å; E248-S252 PolarHBondContact O-N 3.49Å; E248-S252 PolarHBondContact O-OG 2.84Å
249	E	94.1	Very high	85.9	Confident	56 Å²	56	59 Å²	59	26%	0.262	30%	0.295	S	S	.	.	H	α-helix	trans	-59.8	-45.9	176.7	-72.7	168.4	-164.3	0	0	111.2	K245 F246 L251 S252 T253 R333	K245-E249 WeakPolarHBondContact CE-OE1 3.44Å; K245-E249 WeakPolarHBondContact CG-OE1 3.48Å; K245-E249 IonicContact NZ-OE1 3.8Å; K245-E249 VanDerWaalsContact O-CG 3.28Å; K245-E249 WeakPolarHBondContact O-CG 3.24Å; K245-E249 PolarHBondContact O-N 2.84Å; F246-E249 PolarHBondContact O-N 3.13Å; E249-L251 VanDerWaalsContact C-N 3.35Å; E249-L251 PolarHBondContact O-N 2.65Å; E249-S252 WeakPolarHBondContact CA-OG 3.3Å; E249-S252 PolarHBondContact O-N 3.47Å; E249-S252 PolarHBondContact O-OG 2.91Å; E249-T253 PolarHBondContact O-N 2.89Å; E249-T253 VanDerWaalsContact O-N 3.07Å; E249-T253 PolarHBondContact O-OG1 3.49Å; E249-R333 IonicContact OE1-CZ 2.89Å; E249-R333 IonicContact OE1-NH1 3.23Å; E249-R333 PolarHBondContact OE1-NH1 3.37Å; E249-R333 IonicContact OE1-NH2 2.7Å; E249-R333 PolarHBondContact OE1-NH2 3.23Å; E249-R333 IonicContact OE2-CZ 2.78Å; E249-R333 IonicContact OE2-NH1 2.66Å; E249-R333 PolarHBondContact OE2-NH1 3.1Å; E249-R333 IonicContact OE2-NH2 3.9Å; E249-R333 PolarHBondContact OE2-NH2 2.94Å
250	L	92.4	Very high	85.4	Confident	8 Å²	8	64.9 Å²	64.9	4%	0.042	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-37.5	178.1	-73.1	170.5	0	0	0	113.3	S146 F246 L247 E248 Y254 W325	S146-L250 VanDerWaalsContact O-CD1 3.27Å; S146-L250 WeakPolarHBondContact O-CD1 3.31Å; F246-L250 HydrophobicContact CD1-CD1 4.18Å; F246-L250 HydrophobicContact CD2-CD1 4.07Å; F246-L250 HydrophobicContact CD2-CG 3.98Å; F246-L250 HydrophobicContact CE1-CD1 3.96Å; F246-L250 HydrophobicContact CE2-CD1 3.84Å; F246-L250 HydrophobicContact CE2-CD2 3.89Å; F246-L250 HydrophobicContact CE2-CG 3.73Å; F246-L250 HydrophobicContact CG-CD1 4.24Å; F246-L250 HydrophobicContact CZ-CD1 3.79Å; F246-L250 HydrophobicContact CZ-CD2 4.18Å; F246-L250 HydrophobicContact CZ-CG 4.15Å; F246-L250 WeakPolarHBondContact O-CB 3.45Å; F246-L250 WeakPolarHBondContact O-CG 3.21Å; F246-L250 PolarHBondContact O-N 3.48Å; L247-L250 PolarHBondContact O-N 3.23Å; E248-L250 PolarHBondContact O-N 2.94Å; L250-Y254 PolarHBondContact O-N 2.81Å; L250-W325 HydrophobicContact CD2-CH2 3.58Å; L250-W325 HydrophobicContact CD2-CZ3 3.64Å
251	L	93.3	Very high	85.5	Confident	48 Å²	48	65.8 Å²	65.8	25%	0.251	32%	0.324	S	S	.	.	H	α-helix	trans	-71.7	-40	175.5	-74.1	169	0	0	0	111.5	P151 E155 L158 L247 E248 E249 T253	P151-L251 HydrophobicContact CB-CD2 4.02Å; E155-L251 HydrophobicContact CG-CD1 4.01Å; E155-L251 HydrophobicContact CG-CD2 3.98Å; L158-L251 HydrophobicContact CD2-CD1 4.06Å; L247-L251 WeakPolarHBondContact O-CB 3.43Å; L247-L251 VanDerWaalsContact O-CG 3.29Å; L247-L251 WeakPolarHBondContact O-CG 3.4Å; L247-L251 PolarHBondContact O-N 2.99Å; E248-L251 PolarHBondContact O-N 3.47Å; E249-L251 VanDerWaalsContact C-N 3.35Å; E249-L251 PolarHBondContact O-N 2.65Å; L251-T253 VanDerWaalsContact C-N 3.32Å; L251-T253 PolarHBondContact O-N 2.84Å
252	S	91.5	Very high	85.7	Confident	90 Å²	90	67.5 Å²	67.5	63%	0.629	33%	0.331	S	S	*	.	H	α-helix	trans	-69.4	-28.3	-178.7	69.6	0	0	0	0	113.9	E248 E249	E248-S252 WeakPolarHBondContact O-CB 3.36Å; E248-S252 PolarHBondContact O-N 3.49Å; E248-S252 PolarHBondContact O-OG 2.84Å; E249-S252 WeakPolarHBondContact CA-OG 3.3Å; E249-S252 PolarHBondContact O-N 3.47Å; E249-S252 PolarHBondContact O-OG 2.91Å
253	T	84.4	Confident	85.7	Confident	52 Å²	52	70.3 Å²	70.3	32%	0.319	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	4.3	-175.5	54.2	0	0	0	0	113.2	E249 L251 D255 E256 R257	E249-T253 PolarHBondContact O-N 2.89Å; E249-T253 VanDerWaalsContact O-N 3.07Å; E249-T253 PolarHBondContact O-OG1 3.49Å; L251-T253 VanDerWaalsContact C-N 3.32Å; L251-T253 PolarHBondContact O-N 2.84Å; T253-D255 VanDerWaalsContact C-N 3.32Å; T253-D255 PolarHBondContact O-N 3.14Å; T253-E256 CarbonylContact O-C 3.57Å; T253-E256 PolarHBondContact O-N 2.63Å; T253-R257 WeakPolarHBondContact O-CG 3.48Å; T253-R257 PolarHBondContact O-N 2.85Å
254	Y	76	Confident	85.8	Confident	105 Å²	105	72.3 Å²	72.3	41%	0.412	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-52.8	-45.3	-168.3	-177.2	-94.7	0	0	0	113.9	P151 L250	P151-Y254 HydrophobicContact CB-CD2 4.45Å; P151-Y254 HydrophobicContact CB-CE2 4.47Å; P151-Y254 HydrophobicContact CG-CD1 4.2Å; P151-Y254 HydrophobicContact CG-CD2 3.3Å; P151-Y254 HydrophobicContact CG-CE1 3.99Å; P151-Y254 HydrophobicContact CG-CE2 3.04Å; P151-Y254 HydrophobicContact CG-CG 3.9Å; P151-Y254 VanDerWaalsContact CG-CZ 3.42Å; L250-Y254 PolarHBondContact O-N 2.81Å
255	D	70.6	Confident	85.9	Confident	156 Å²	156	77.5 Å²	77.5	83%	0.834	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-80.8	-14.9	-179.3	-65.4	-35.7	0	0	0	113.4	T253	T253-D255 VanDerWaalsContact C-N 3.32Å; T253-D255 PolarHBondContact O-N 3.14Å
256	E	68.9	Low	86	Confident	159 Å²	159	79 Å²	79	74%	0.743	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-105.2	6.3	-175.5	-62.5	-176	173.8	0	0	113	T253 E258	T253-E256 CarbonylContact O-C 3.57Å; T253-E256 PolarHBondContact O-N 2.63Å; E256-E258 PolarHBondContact O-N 3.4Å
257	R	68.5	Low	86	Confident	62 Å²	62	79.4 Å²	79.4	23%	0.234	41%	0.41	C	S	.	.			trans	-70.5	98.4	-178.5	-75.7	-170.5	-58.8	-124	-2.3	111.4	T253 F259	T253-R257 WeakPolarHBondContact O-CG 3.48Å; T253-R257 PolarHBondContact O-N 2.85Å; R257-F259 HydrophobicContact CB-CE1 4.08Å; R257-F259 HydrophobicContact CB-CZ 4.23Å; R257-F259 PolarHBondContact O-N 3.14Å
258	E	66.9	Low	86.1	Confident	142 Å²	142	80.4 Å²	80.4	66%	0.664	42%	0.415	S	S	*	.			trans	-77	108.3	157	-71.2	-173.7	171.1	0	0	108.8	E256 F260	E256-E258 PolarHBondContact O-N 3.4Å; E258-F260 HydrophobicContact CB-CE1 4.5Å; E258-F260 PolarHBondContact O-N 2.92Å; E258-F260 VanDerWaalsContact O-N 3.09Å
259	F	72	Confident	86.2	Confident	57 Å²	57	76.7 Å²	76.7	25%	0.25	40%	0.398	C	S	.	.			trans	-71.6	104.1	167.6	-48.8	-66.6	0	0	0	106.2	R257 Y261 A321 A322 W325	R257-F259 HydrophobicContact CB-CE1 4.08Å; R257-F259 HydrophobicContact CB-CZ 4.23Å; R257-F259 PolarHBondContact O-N 3.14Å; F259-Y261 HydrophobicContact CB-CD2 3.76Å; F259-Y261 HydrophobicContact CB-CE2 4.19Å; F259-Y261 PolarHBondContact O-N 3.15Å; F259-A321 HydrophobicContact CB-CB 4.13Å; F259-A321 HydrophobicContact CD2-CB 4.38Å; F259-A321 HydrophobicContact CG-CB 4.35Å; F259-A322 HydrophobicContact CE1-CB 3.87Å; F259-A322 HydrophobicContact CE2-CB 3.92Å; F259-A322 HydrophobicContact CZ-CB 3.48Å; F259-A322 VanDerWaalsContact CZ-CB 3.48Å; F259-W325 HydrophobicContact CD1-CB 3.58Å; F259-W325 AromaticContact CD1-CD1 3.85Å; F259-W325 HydrophobicContact CD1-CD2 4.09Å; F259-W325 AromaticContact CD1-CG 3.58Å; F259-W325 HydrophobicContact CD1-CG 3.58Å; F259-W325 HydrophobicContact CE1-CB 4.12Å; F259-W325 HydrophobicContact CE1-CD2 4.2Å; F259-W325 HydrophobicContact CE1-CE3 4.37Å; F259-W325 HydrophobicContact CE1-CG 4.11Å
260	F	78.3	Confident	86.3	Confident	142 Å²	142	75.2 Å²	75.2	62%	0.623	39%	0.391	S	S	*	.			trans	-66.4	51.9	179.5	-59.8	-75.6	0	0	0	112.8	E258 P272	E258-F260 HydrophobicContact CB-CE1 4.5Å; E258-F260 PolarHBondContact O-N 2.92Å; E258-F260 VanDerWaalsContact O-N 3.09Å; F260-P272 HydrophobicContact CB-CG 3.96Å; F260-P272 VanDerWaalsContact O-CD 3.32Å; F260-P272 WeakPolarHBondContact O-CD 3.46Å; F260-P272 VanDerWaalsContact O-CG 3.26Å; F260-P272 WeakPolarHBondContact O-CG 3.49Å
261	Y	88	Confident	86.5	Confident	37 Å²	37	74.9 Å²	74.9	15%	0.145	39%	0.39	C	S	.	.			trans	-99.4	139.7	168.6	-66.8	-87.4	0	0	0	108.3	F259 M269 I270 D271 T277 A321 A324 W325	F259-Y261 HydrophobicContact CB-CD2 3.76Å; F259-Y261 HydrophobicContact CB-CE2 4.19Å; F259-Y261 PolarHBondContact O-N 3.15Å; Y261-M269 HydrophobicContact CD1-CE 4.42Å; Y261-M269 HydrophobicContact CD1-CG 4.08Å; Y261-M269 HydrophobicContact CD1-SD 4.38Å; Y261-M269 HydrophobicContact CG-CG 4.14Å; Y261-M269 HydrophobicContact CG-SD 4.19Å; Y261-I270 WeakPolarHBondContact CA-O 3.44Å; Y261-I270 WeakPolarHBondContact CD1-O 3.45Å; Y261-D271 HydrophobicContact CD1-CB 4.25Å; Y261-D271 HydrophobicContact CE1-CB 3.83Å; Y261-T277 HydrophobicContact CD1-CG2 4.42Å; Y261-T277 HydrophobicContact CE1-CG2 3.85Å; Y261-T277 VanDerWaalsContact CE1-OG1 3.28Å; Y261-T277 WeakPolarHBondContact CE1-OG1 3.35Å; Y261-A321 HydrophobicContact CD2-CB 3.91Å; Y261-A321 HydrophobicContact CE2-CB 4.36Å; Y261-A321 WeakPolarHBondContact CE2-O 3.41Å; Y261-A324 HydrophobicContact CE1-CB 4.4Å; Y261-A324 VanDerWaalsContact OH-CB 3.25Å; Y261-A324 WeakPolarHBondContact OH-CB 3.39Å; Y261-W325 HydrophobicContact CE2-CB 4.1Å; Y261-W325 PolarHBondContact OH-N 3.4Å
262	S	93.4	Very high	86.5	Confident	64 Å²	64	76.1 Å²	76.1	45%	0.448	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	176.6	175.2	57.1	0	0	0	0	109.8	I270	S262-I270 PolarHBondContact N-O 2.86Å; S262-I270 VanDerWaalsContact N-O 3.12Å; S262-I270 VanDerWaalsContact O-CG1 3.3Å; S262-I270 WeakPolarHBondContact O-CG1 3.23Å; S262-I270 PolarHBondContact O-N 2.65Å; S262-I270 WeakPolarHBondContact OG-CG1 3.25Å
263	D	94.8	Very high	86.6	Confident	86 Å²	86	74.2 Å²	74.2	46%	0.46	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	139.3	173	-69.8	-47.3	0	0	0	111.3	D268 R317	D263-D268 WeakPolarHBondContact CA-O 3.42Å; D263-R317 IonicContact OD1-CZ 3.48Å; D263-R317 IonicContact OD1-NH1 2.63Å; D263-R317 IonicContact OD1-NH2 3.95Å; D263-R317 PolarHBondContact OD1-NH2 3.28Å; D263-R317 IonicContact OD2-NH2 3.49Å; D263-R317 PolarHBondContact OD2-NH2 3.47Å; D263-R317 VanDerWaalsContact OD2-NH2 3.07Å
264	N	96	Very high	87	Confident	46 Å²	46	74 Å²	74	25%	0.246	39%	0.392	C	S	.	.			trans	-78.1	-176.8	166.2	73.1	8.1	0	0	0	111	E266 G267 D268 I270	N264-E266 PolarHBondContact O-N 2.81Å; N264-E266 WeakPolarHBondContact OD1-CA 3.35Å; N264-E266 WeakPolarHBondContact OD1-CB 3.14Å; N264-E266 PolarHBondContact OD1-N 2.58Å; N264-G267 PolarHBondContact O-N 2.68Å; N264-G267 PolarHBondContact OD1-N 3.19Å; N264-D268 PolarHBondContact N-O 3.24Å; N264-D268 WeakPolarHBondContact ND2-CB 3.2Å; N264-D268 PolarHBondContact ND2-OD2 2.85Å; N264-D268 PolarHBondContact OD1-N 3.21Å; N264-I270 HydrophobicContact CB-CD1 4.27Å; N264-I270 HydrophobicContact CB-CG2 3.95Å
265	S	95.8	Very high	88	Confident	116 Å²	116	69.9 Å²	69.9	81%	0.811	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-24	178.9	55.9	0	0	0	0	114.6	G267	S265-G267 VanDerWaalsContact C-N 3.34Å
266	E	95.8	Very high	89.3	Confident	138 Å²	138	65.6 Å²	65.6	65%	0.645	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-2.7	177.8	-54.9	-56	127.9	0	0	112.3	N264 D268	N264-E266 PolarHBondContact O-N 2.81Å; N264-E266 WeakPolarHBondContact OD1-CA 3.35Å; N264-E266 WeakPolarHBondContact OD1-CB 3.14Å; N264-E266 PolarHBondContact OD1-N 2.58Å; E266-D268 VanDerWaalsContact C-N 3.32Å
267	G	94.6	Very high	90.7	Very high	18 Å²	18	58 Å²	58	19%	0.186	32%	0.317	C	S	.	.			trans	79.7	9.5	-176.7	0	0	0	0	0	114.6	N264 S265 L280 R317	N264-G267 PolarHBondContact O-N 2.68Å; N264-G267 PolarHBondContact OD1-N 3.19Å; S265-G267 VanDerWaalsContact C-N 3.34Å; G267-L280 WeakPolarHBondContact O-CB 3.48Å; G267-R317 PolarHBondContact O-NH1 2.86Å
268	D	97.5	Very high	92.1	Very high	22 Å²	22	55.1 Å²	55.1	12%	0.118	31%	0.306	C	S	.	.			trans	-70.2	139.9	173.6	-53.4	-48.5	0	0	0	110.1	D263 N264 E266 I270 I276 P279 L280	D263-D268 WeakPolarHBondContact CA-O 3.42Å; N264-D268 PolarHBondContact N-O 3.24Å; N264-D268 WeakPolarHBondContact ND2-CB 3.2Å; N264-D268 PolarHBondContact ND2-OD2 2.85Å; N264-D268 PolarHBondContact OD1-N 3.21Å; E266-D268 VanDerWaalsContact C-N 3.32Å; D268-I270 PolarHBondContact O-N 2.86Å; D268-I276 HydrophobicContact CB-CG1 4.34Å; D268-I276 HydrophobicContact CB-CG2 4.23Å; D268-P279 WeakPolarHBondContact OD1-CA 3.47Å; D268-L280 PolarHBondContact OD1-N 3.25Å
269	M	97.3	Very high	93.6	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.03	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	118.6	175.7	-171.4	179	70.2	0	0	109.4	Y261 T277 A278 V320 A321	Y261-M269 HydrophobicContact CD1-CE 4.42Å; Y261-M269 HydrophobicContact CD1-CG 4.08Å; Y261-M269 HydrophobicContact CD1-SD 4.38Å; Y261-M269 HydrophobicContact CG-CG 4.14Å; Y261-M269 HydrophobicContact CG-SD 4.19Å; M269-T277 HydrophobicContact CE-CG2 3.47Å; M269-T277 VanDerWaalsContact CE-CG2 3.47Å; M269-T277 PolarHBondContact O-N 2.89Å; M269-A278 HydrophobicContact CB-CB 4.23Å; M269-A278 HydrophobicContact CE-CB 3.75Å; M269-A278 PolarHBondContact N-O 2.82Å; M269-A278 PolarHBondContact O-N 2.88Å; M269-A278 VanDerWaalsContact O-N 3.16Å; M269-V320 HydrophobicContact CE-CB 4.12Å; M269-V320 HydrophobicContact CE-CG1 3.49Å; M269-V320 VanDerWaalsContact CE-CG1 3.49Å; M269-A321 HydrophobicContact CE-CB 4.47Å; M269-A321 HydrophobicContact SD-CB 3.82Å
270	I	97.1	Very high	94.8	Very high	25 Å²	25	49.1 Å²	49.1	13%	0.128	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	147.2	179.5	62.7	173.3	0	0	0	111.7	Y261 S262 N264 D268 F275 I276	Y261-I270 WeakPolarHBondContact CA-O 3.44Å; Y261-I270 WeakPolarHBondContact CD1-O 3.45Å; S262-I270 PolarHBondContact N-O 2.86Å; S262-I270 VanDerWaalsContact N-O 3.12Å; S262-I270 VanDerWaalsContact O-CG1 3.3Å; S262-I270 WeakPolarHBondContact O-CG1 3.23Å; S262-I270 PolarHBondContact O-N 2.65Å; S262-I270 WeakPolarHBondContact OG-CG1 3.25Å; N264-I270 HydrophobicContact CB-CD1 4.27Å; N264-I270 HydrophobicContact CB-CG2 3.95Å; D268-I270 PolarHBondContact O-N 2.86Å; I270-F275 CarbonylContact C-O 3.58Å; I270-F275 VanDerWaalsContact CA-O 3.23Å; I270-F275 WeakPolarHBondContact CA-O 3.42Å; I270-I276 HydrophobicContact CG2-CG1 4.09Å
271	D	95.4	Very high	95.6	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.011	28%	0.281	C	S	.	.			trans	-76.5	171.3	174.4	76.1	12.1	0	0	0	112.1	Y261 D273 G274 F275	Y261-D271 HydrophobicContact CD1-CB 4.25Å; Y261-D271 HydrophobicContact CE1-CB 3.83Å; D271-D273 PolarHBondContact O-N 2.97Å; D271-D273 VanDerWaalsContact O-N 3.08Å; D271-D273 WeakPolarHBondContact OD1-CA 3.35Å; D271-D273 WeakPolarHBondContact OD1-CB 3.36Å; D271-D273 PolarHBondContact OD1-N 3.37Å; D271-G274 PolarHBondContact O-N 2.86Å; D271-G274 PolarHBondContact OD1-N 3.16Å; D271-F275 PolarHBondContact N-O 2.87Å; D271-F275 PolarHBondContact OD1-N 3.18Å
272	P	92.8	Very high	96	Very high	73 Å²	73	46.6 Å²	46.6	47%	0.474	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.7	178.3	-26.5	33.6	0	0	0	115.4	F260 G274	F260-P272 HydrophobicContact CB-CG 3.96Å; F260-P272 VanDerWaalsContact O-CD 3.32Å; F260-P272 WeakPolarHBondContact O-CD 3.46Å; F260-P272 VanDerWaalsContact O-CG 3.26Å; F260-P272 WeakPolarHBondContact O-CG 3.49Å; P272-G274 VanDerWaalsContact C-N 3.29Å
273	D	93.7	Very high	96	Very high	51 Å²	51	43.5 Å²	43.5	27%	0.273	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	0.5	178	-60.5	-60.8	0	0	0	111.7	D271 F275 R328 R440 T510	D271-D273 PolarHBondContact O-N 2.97Å; D271-D273 VanDerWaalsContact O-N 3.08Å; D271-D273 WeakPolarHBondContact OD1-CA 3.35Å; D271-D273 WeakPolarHBondContact OD1-CB 3.36Å; D271-D273 PolarHBondContact OD1-N 3.37Å; D273-F275 HydrophobicContact CB-CD2 3.65Å; D273-F275 HydrophobicContact CB-CE2 3.82Å; D273-F275 WeakPolarHBondContact O-CD2 3.39Å; D273-F275 WeakPolarHBondContact O-CE2 3.22Å; D273-R328 IonicContact OD2-CZ 3.14Å; D273-R328 IonicContact OD2-NH2 2.68Å; D273-R328 PolarHBondContact OD2-NH2 2.95Å; D273-R440 HydrophobicContact CB-CG 4.49Å; D273-T510 WeakPolarHBondContact OD2-CG2 3.24Å
274	G	94.5	Very high	96.1	Very high	48 Å²	48	43.6 Å²	43.6	50%	0.495	26%	0.256	S	S	.	.	S	Bend	trans	86.7	12.3	177.2	0	0	0	0	0	114.8	D271 P272	D271-G274 PolarHBondContact O-N 2.86Å; D271-G274 PolarHBondContact OD1-N 3.16Å; P272-G274 VanDerWaalsContact C-N 3.29Å
275	F	96.7	Very high	95.9	Very high	18 Å²	18	47.9 Å²	47.9	8%	0.079	28%	0.275	C	S	.	.			trans	-92.5	138.7	-178.9	-65.5	-96.7	0	0	0	111.3	I270 D271 D273 T277 A436 D437 R440 Q512	I270-F275 CarbonylContact C-O 3.58Å; I270-F275 VanDerWaalsContact CA-O 3.23Å; I270-F275 WeakPolarHBondContact CA-O 3.42Å; D271-F275 PolarHBondContact N-O 2.87Å; D271-F275 PolarHBondContact OD1-N 3.18Å; D273-F275 HydrophobicContact CB-CD2 3.65Å; D273-F275 HydrophobicContact CB-CE2 3.82Å; D273-F275 WeakPolarHBondContact O-CD2 3.39Å; D273-F275 WeakPolarHBondContact O-CE2 3.22Å; F275-T277 PolarHBondContact O-N 3.1Å; F275-A436 HydrophobicContact CE1-CB 3.71Å; F275-A436 HydrophobicContact CZ-CB 4.12Å; F275-D437 HydrophobicContact CZ-CB 4.35Å; F275-R440 HydrophobicContact CE2-CB 4.45Å; F275-Q512 HydrophobicContact CB-CG 3.93Å; F275-Q512 HydrophobicContact CD1-CG 4.4Å; F275-Q512 HydrophobicContact CG-CG 4.23Å
276	I	97.6	Very high	95.7	Very high	66 Å²	66	43.2 Å²	43.2	34%	0.338	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	120.3	177.2	-61.8	171.5	0	0	0	109.6	D268 I270 P279	D268-I276 HydrophobicContact CB-CG1 4.34Å; D268-I276 HydrophobicContact CB-CG2 4.23Å; I270-I276 HydrophobicContact CG2-CG1 4.09Å; I276-P279 HydrophobicContact CG2-CG 4.09Å
277	T	98.3	Very high	95.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-39	170.7	-61.1	0	0	0	0	111.1	Y261 M269 F275 A324 V513 W515	Y261-T277 HydrophobicContact CD1-CG2 4.42Å; Y261-T277 HydrophobicContact CE1-CG2 3.85Å; Y261-T277 VanDerWaalsContact CE1-OG1 3.28Å; Y261-T277 WeakPolarHBondContact CE1-OG1 3.35Å; M269-T277 HydrophobicContact CE-CG2 3.47Å; M269-T277 VanDerWaalsContact CE-CG2 3.47Å; M269-T277 PolarHBondContact O-N 2.89Å; F275-T277 PolarHBondContact O-N 3.1Å; T277-A324 HydrophobicContact CG2-CB 3.56Å; T277-V513 WeakPolarHBondContact CA-O 3.19Å; T277-V513 PolarHBondContact OG1-O 3.27Å; T277-W515 PolarHBondContact O-N 3.49Å
278	A	98.1	Very high	95.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	119.7	177.5	0	0	0	0	0	111.6	M269 I283 V320 W515	M269-A278 HydrophobicContact CB-CB 4.23Å; M269-A278 HydrophobicContact CE-CB 3.75Å; M269-A278 PolarHBondContact N-O 2.82Å; M269-A278 PolarHBondContact O-N 2.88Å; M269-A278 VanDerWaalsContact O-N 3.16Å; A278-I283 HydrophobicContact CB-CD1 3.93Å; A278-I283 HydrophobicContact CB-CG1 4.34Å; A278-V320 HydrophobicContact CB-CG1 3.92Å; A278-W515 HydrophobicContact CB-CB 4.37Å; A278-W515 HydrophobicContact CB-CD2 4.36Å; A278-W515 HydrophobicContact CB-CE3 3.57Å; A278-W515 HydrophobicContact CB-CZ3 4.24Å
279	P	97.6	Very high	94.6	Very high	45 Å²	45	46.1 Å²	46.1	29%	0.292	25%	0.25	S	C	.	.			trans	-66.2	136.6	174.6	-19.6	31.7	0	0	0	112	D268 I276 N281 A282 I283	D268-P279 WeakPolarHBondContact OD1-CA 3.47Å; I276-P279 HydrophobicContact CG2-CG 4.09Å; P279-N281 VanDerWaalsContact C-N 3.31Å; P279-N281 PolarHBondContact O-N 2.98Å; P279-A282 HydrophobicContact CB-CB 4.18Å; P279-A282 HydrophobicContact CG-CB 4.48Å; P279-A282 WeakPolarHBondContact O-CB 3.41Å; P279-A282 PolarHBondContact O-N 2.85Å; P279-A282 VanDerWaalsContact O-N 3.16Å; P279-I283 PolarHBondContact O-N 3.03Å
280	L	96.4	Very high	93.7	Very high	29 Å²	29	50.4 Å²	50.4	15%	0.152	27%	0.267	C	S	.	.	H	α-helix	trans	-59.8	-42.2	-177.7	-179.9	59.4	0	0	0	112.3	G267 D268 A282 I283 K284	G267-L280 WeakPolarHBondContact O-CB 3.48Å; D268-L280 PolarHBondContact OD1-N 3.25Å; L280-A282 VanDerWaalsContact C-N 3.3Å; L280-A282 PolarHBondContact O-N 3.47Å; L280-I283 WeakPolarHBondContact O-CB 3.34Å; L280-I283 PolarHBondContact O-N 3.24Å; L280-K284 HydrophobicContact CD1-CG 4.43Å; L280-K284 HydrophobicContact CG-CD 4.27Å; L280-K284 PolarHBondContact O-N 2.98Å
281	N	95.9	Very high	92.7	Very high	108 Å²	108	52 Å²	52	58%	0.578	28%	0.28	S	S	*	.	H	α-helix	trans	-62.4	-39.7	-180	-69	-23.7	0	0	0	111.4	P279 I283 K284 E285	P279-N281 VanDerWaalsContact C-N 3.31Å; P279-N281 PolarHBondContact O-N 2.98Å; N281-I283 VanDerWaalsContact C-N 3.31Å; N281-I283 PolarHBondContact O-N 3.39Å; N281-K284 PolarHBondContact O-N 3.49Å; N281-E285 WeakPolarHBondContact O-CB 3.42Å; N281-E285 VanDerWaalsContact O-CG 3.27Å; N281-E285 WeakPolarHBondContact O-CG 3.48Å; N281-E285 PolarHBondContact O-N 2.91Å
282	A	95.7	Very high	90.9	Very high	17 Å²	17	60.4 Å²	60.4	14%	0.14	32%	0.319	C	S	.	.	H	α-helix	trans	-65	-35.8	177.1	0	0	0	0	0	112.1	P279 L280 T286 W515 P517	P279-A282 HydrophobicContact CB-CB 4.18Å; P279-A282 HydrophobicContact CG-CB 4.48Å; P279-A282 WeakPolarHBondContact O-CB 3.41Å; P279-A282 PolarHBondContact O-N 2.85Å; P279-A282 VanDerWaalsContact O-N 3.16Å; L280-A282 VanDerWaalsContact C-N 3.3Å; L280-A282 PolarHBondContact O-N 3.47Å; A282-T286 VanDerWaalsContact O-CB 3.28Å; A282-T286 WeakPolarHBondContact O-CB 3.49Å; A282-T286 PolarHBondContact O-N 2.98Å; A282-T286 PolarHBondContact O-OG1 2.97Å; A282-W515 HydrophobicContact CB-CH2 4.48Å; A282-W515 HydrophobicContact CB-CZ3 3.91Å; A282-P517 HydrophobicContact CB-CG 4.24Å
283	I	95.1	Very high	88.9	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.3	-52.5	173.7	-63.1	-179.7	0	0	0	110	A278 P279 L280 N281 E285 T286 V287 V313 L316 R317 W515	A278-I283 HydrophobicContact CB-CD1 3.93Å; A278-I283 HydrophobicContact CB-CG1 4.34Å; P279-I283 PolarHBondContact O-N 3.03Å; L280-I283 WeakPolarHBondContact O-CB 3.34Å; L280-I283 PolarHBondContact O-N 3.24Å; N281-I283 VanDerWaalsContact C-N 3.31Å; N281-I283 PolarHBondContact O-N 3.39Å; I283-E285 PolarHBondContact O-N 3.32Å; I283-T286 WeakPolarHBondContact O-CB 3.31Å; I283-T286 PolarHBondContact O-N 3.49Å; I283-T286 VanDerWaalsContact O-N 3.13Å; I283-V287 WeakPolarHBondContact O-CG2 3.28Å; I283-V287 PolarHBondContact O-N 2.85Å; I283-V313 HydrophobicContact CG2-CG1 3.99Å; I283-L316 HydrophobicContact CB-CD2 4.49Å; I283-L316 HydrophobicContact CG2-CB 4.35Å; I283-L316 HydrophobicContact CG2-CD2 3.88Å; I283-L316 HydrophobicContact CG2-CG 4.17Å; I283-R317 HydrophobicContact CD1-CG 3.54Å; I283-R317 HydrophobicContact CG2-CG 4.01Å; I283-W515 HydrophobicContact CB-CZ3 4.49Å; I283-W515 HydrophobicContact CG1-CE3 4.34Å; I283-W515 HydrophobicContact CG1-CH2 3.92Å; I283-W515 HydrophobicContact CG1-CZ3 3.53Å
284	K	95.3	Very high	86.5	Confident	88 Å²	88	62.9 Å²	62.9	38%	0.383	34%	0.339	S	S	.	.	H	α-helix	trans	-58.6	-46.2	-180	-72	-179.8	176.2	178.5	0	112.2	L280 N281 T286 V287 M288 F309 V313	L280-K284 HydrophobicContact CD1-CG 4.43Å; L280-K284 HydrophobicContact CG-CD 4.27Å; L280-K284 PolarHBondContact O-N 2.98Å; N281-K284 PolarHBondContact O-N 3.49Å; K284-T286 VanDerWaalsContact C-N 3.31Å; K284-T286 PolarHBondContact O-N 3.47Å; K284-V287 PolarHBondContact O-N 3.34Å; K284-M288 VanDerWaalsContact O-CG 3.31Å; K284-M288 WeakPolarHBondContact O-CG 3.18Å; K284-M288 PolarHBondContact O-N 2.87Å; K284-F309 HydrophobicContact CB-CZ 4.28Å; K284-F309 HydrophobicContact CG-CZ 4.34Å; K284-V313 HydrophobicContact CG-CG2 4.33Å
285	E	93	Very high	84	Confident	136 Å²	136	66.9 Å²	66.9	64%	0.636	36%	0.36	S	S	*	.	H	α-helix	trans	-61.3	-39.7	176.4	-74.1	171.8	-173.6	0	0	112.1	N281 I283 M288 K289	N281-E285 WeakPolarHBondContact O-CB 3.42Å; N281-E285 VanDerWaalsContact O-CG 3.27Å; N281-E285 WeakPolarHBondContact O-CG 3.48Å; N281-E285 PolarHBondContact O-N 2.91Å; I283-E285 PolarHBondContact O-N 3.32Å; E285-M288 PolarHBondContact O-N 2.92Å; E285-K289 VanDerWaalsContact O-CB 3.24Å; E285-K289 WeakPolarHBondContact O-CB 3.49Å; E285-K289 PolarHBondContact O-N 3.03Å
286	T	91.5	Very high	81.3	Confident	17 Å²	17	70.2 Å²	70.2	10%	0.104	39%	0.386	C	S	.	.	H	α-helix	trans	-64.4	-44.6	177.4	-61.8	0	0	0	0	111.4	A282 I283 K284 K289 Y290 L316 W515 P517	A282-T286 VanDerWaalsContact O-CB 3.28Å; A282-T286 WeakPolarHBondContact O-CB 3.49Å; A282-T286 PolarHBondContact O-N 2.98Å; A282-T286 PolarHBondContact O-OG1 2.97Å; I283-T286 WeakPolarHBondContact O-CB 3.31Å; I283-T286 PolarHBondContact O-N 3.49Å; I283-T286 VanDerWaalsContact O-N 3.13Å; K284-T286 VanDerWaalsContact C-N 3.31Å; K284-T286 PolarHBondContact O-N 3.47Å; T286-K289 PolarHBondContact O-N 3.16Å; T286-Y290 HydrophobicContact CG2-CD2 3.79Å; T286-Y290 HydrophobicContact CG2-CE2 3.8Å; T286-Y290 VanDerWaalsContact O-CD2 3.23Å; T286-Y290 WeakPolarHBondContact O-CD2 2.97Å; T286-Y290 PolarHBondContact O-N 3.03Å; T286-Y290 VanDerWaalsContact O-N 3.16Å; T286-L316 HydrophobicContact CG2-CD2 3.74Å; T286-W515 HydrophobicContact CG2-CZ2 4.42Å; T286-P517 WeakPolarHBondContact OG1-CB 3.33Å; T286-P517 WeakPolarHBondContact OG1-CG 3.45Å
287	V	90.9	Very high	78.7	Confident	12 Å²	12	74.8 Å²	74.8	7%	0.073	41%	0.41	C	S	.	.	H	α-helix	trans	-62.2	-48.3	175.8	174	0	0	0	0	110.7	I283 K284 K289 Y290 S291 F309 V313 L316	I283-V287 WeakPolarHBondContact O-CG2 3.28Å; I283-V287 PolarHBondContact O-N 2.85Å; K284-V287 PolarHBondContact O-N 3.34Å; V287-K289 PolarHBondContact O-N 2.84Å; V287-Y290 PolarHBondContact O-N 3.42Å; V287-S291 WeakPolarHBondContact O-CB 3.23Å; V287-S291 PolarHBondContact O-N 3.5Å; V287-S291 PolarHBondContact O-OG 3.5Å; V287-F309 HydrophobicContact CB-CE2 3.99Å; V287-F309 HydrophobicContact CG1-CD2 3.7Å; V287-F309 HydrophobicContact CG1-CE2 3.54Å; V287-F309 HydrophobicContact CG1-CZ 4.47Å; V287-V313 HydrophobicContact CB-CG2 4.28Å; V287-V313 HydrophobicContact CG1-CG2 4.37Å; V287-V313 HydrophobicContact CG2-CG2 3.97Å; V287-L316 HydrophobicContact CG2-CB 4.3Å; V287-L316 HydrophobicContact CG2-CD2 3.89Å
288	M	89.9	Confident	75.9	Confident	128 Å²	128	85.4 Å²	85.4	63%	0.631	45%	0.45	S	S	*	.	H	α-helix	trans	-57.6	-38.8	177.9	-73.1	-63	-75.3	0	0	112.2	K284 E285 F309	K284-M288 VanDerWaalsContact O-CG 3.31Å; K284-M288 WeakPolarHBondContact O-CG 3.18Å; K284-M288 PolarHBondContact O-N 2.87Å; E285-M288 PolarHBondContact O-N 2.92Å; M288-F309 HydrophobicContact CG-CE2 3.61Å; M288-F309 HydrophobicContact CG-CZ 4.05Å; M288-F309 HydrophobicContact SD-CD2 3.87Å; M288-F309 HydrophobicContact SD-CE2 3.36Å; M288-F309 WeakPolarHBondContact SD-CE2 3.34Å; M288-F309 HydrophobicContact SD-CZ 4.05Å
289	K	83.9	Confident	73.2	Confident	99 Å²	99	98 Å²	98	43%	0.43	50%	0.497	S	S	.	.	H	α-helix	trans	-70.5	-34	-178.8	-179.8	-178.2	169.9	-163.2	0	113.6	E285 T286 V287 L518	E285-K289 VanDerWaalsContact O-CB 3.24Å; E285-K289 WeakPolarHBondContact O-CB 3.49Å; E285-K289 PolarHBondContact O-N 3.03Å; T286-K289 PolarHBondContact O-N 3.16Å; V287-K289 PolarHBondContact O-N 2.84Å; K289-L518 PolarHBondContact NZ-O 3.29Å
290	Y	78.3	Confident	70.9	Confident	97 Å²	97	99.8 Å²	99.8	38%	0.38	51%	0.511	S	S	.	.	H	α-helix	trans	-99.6	-4.2	-179	-66.6	-62.2	0	0	0	114.1	T286 V287 E292 K375	T286-Y290 HydrophobicContact CG2-CD2 3.79Å; T286-Y290 HydrophobicContact CG2-CE2 3.8Å; T286-Y290 VanDerWaalsContact O-CD2 3.23Å; T286-Y290 WeakPolarHBondContact O-CD2 2.97Å; T286-Y290 PolarHBondContact O-N 3.03Å; T286-Y290 VanDerWaalsContact O-N 3.16Å; V287-Y290 PolarHBondContact O-N 3.42Å; Y290-E292 PolarHBondContact O-N 2.83Å; Y290-K375 HydrophobicContact CE1-CD 3.77Å; Y290-K375 HydrophobicContact CE1-CG 4.45Å; Y290-K375 HydrophobicContact CE2-CD 4.25Å; Y290-K375 WeakPolarHBondContact OH-CB 3.2Å; Y290-K375 WeakPolarHBondContact OH-CG 2.97Å
291	S	76.6	Confident	68.7	Low	58 Å²	58	108.1 Å²	108.1	41%	0.406	55%	0.549	S	S	.	.	S	Bend	trans	-66.4	120.5	167.7	-62	0	0	0	0	108.7	V287	V287-S291 WeakPolarHBondContact O-CB 3.23Å; V287-S291 PolarHBondContact O-N 3.5Å; V287-S291 PolarHBondContact O-OG 3.5Å
292	E	56.6	Low	66.9	Low	178 Å²	178	106.7 Å²	106.7	83%	0.832	54%	0.541	S	S	*	.			trans	-57.1	137.1	174.6	-72.2	-166.9	169.8	0	0	109.5	Y290 S294	Y290-E292 PolarHBondContact O-N 2.83Å; E292-S294 PolarHBondContact O-N 3.07Å
293	P	50.3	Low	65.1	Low	108 Å²	108	110.4 Å²	110.4	70%	0.701	56%	0.564	S	S	*	*			trans	-66.5	93.2	165.6	26.1	-29.3	0	0	0	107.4	S295	P293-S295 PolarHBondContact O-N 3.33Å; P293-S295 VanDerWaalsContact O-N 3.09Å
294	S	44.7	Very low	63.6	Low	68 Å²	68	114 Å²	114	48%	0.476	59%	0.586	S	S	.	*			trans	-44.4	122.9	163.6	50.7	0	0	0	0	107	E292 S296	E292-S294 PolarHBondContact O-N 3.07Å; S294-S296 PolarHBondContact O-N 2.82Å
295	S	42.2	Very low	62	Low	132 Å²	132	115.3 Å²	115.3	92%	0.923	60%	0.597	S	S	*	*	S	Bend	trans	-66.6	29.8	-171	57	0	0	0	0	114.6	P293	P293-S295 PolarHBondContact O-N 3.33Å; P293-S295 VanDerWaalsContact O-N 3.09Å
296	S	38.9	Very low	61.2	Low	89 Å²	89	112 Å²	112	62%	0.622	59%	0.588	S	S	*	*			trans	-142.9	57	-177.3	48	0	0	0	0	110.1	S294 R298	S294-S296 PolarHBondContact O-N 2.82Å; S296-R298 PolarHBondContact O-N 2.81Å
297	L	43.3	Very low	60.8	Low	161 Å²	161	114.1 Å²	114.1	84%	0.843	60%	0.604	S	S	*	*			trans	-67.6	75.1	162.1	-90.8	139.3	0	0	0	109.7
298	R	39.1	Very low	60.6	Low	224 Å²	224	118.4 Å²	118.4	85%	0.845	63%	0.627	S	S	*	*	S	Bend	trans	-124.5	124.6	154.7	-76.3	-168.9	179.1	-157.5	0.7	106.9	S296 S300	S296-R298 PolarHBondContact O-N 2.81Å; R298-S300 PolarHBondContact O-N 2.93Å
299	R	42.8	Very low	60.6	Low	264 Å²	264	114.7 Å²	114.7	100%	0.996	61%	0.607	S	S	*	*			trans	-36.8	99.7	172.9	-73.7	178.6	179	-170.5	-1.9	111
300	S	47.6	Very low	61	Low	83 Å²	83	114.4 Å²	114.4	58%	0.58	61%	0.61	S	S	*	*			trans	-125.3	124.1	155.4	55	0	0	0	0	106.6	R298 D302	R298-S300 PolarHBondContact O-N 2.93Å; S300-D302 PolarHBondContact O-N 2.89Å
301	E	52.2	Low	61.6	Low	203 Å²	203	114.7 Å²	114.7	95%	0.949	62%	0.615	S	S	*	*			trans	-69.2	63.6	167.8	-65.4	174.6	167.3	0	0	108.3	P303	E301-P303 VanDerWaalsContact O-CD 3.27Å; E301-P303 WeakPolarHBondContact O-CD 3.39Å
302	D	57.4	Low	62.3	Low	78 Å²	78	114.3 Å²	114.3	42%	0.417	61%	0.612	S	S	.	*			trans	-84	112.1	-179.4	-158.7	-13.1	0	0	0	108.7	S300 T304 L305	S300-D302 PolarHBondContact O-N 2.89Å; D302-T304 VanDerWaalsContact CG-OG1 3.26Å; D302-T304 PolarHBondContact O-N 3.13Å; D302-T304 VanDerWaalsContact O-N 3.09Å; D302-T304 PolarHBondContact OD1-OG1 3.48Å; D302-T304 PolarHBondContact OD2-OG1 2.91Å; D302-L305 WeakPolarHBondContact O-CB 3.49Å; D302-L305 PolarHBondContact O-N 3.11Å
303	P	58.5	Low	64	Low	96 Å²	96	106.3 Å²	106.3	62%	0.623	58%	0.575	S	S	*	*	H	α-helix	trans	-60.8	-17.8	-178.6	21.9	-32.1	0	0	0	113.7	E301 L305 S306 S307	E301-P303 VanDerWaalsContact O-CD 3.27Å; E301-P303 WeakPolarHBondContact O-CD 3.39Å; P303-L305 VanDerWaalsContact C-N 3.31Å; P303-S306 PolarHBondContact O-OG 3.47Å; P303-S307 PolarHBondContact O-N 3.16Å
304	T	63.4	Low	66	Low	75 Å²	75	104.9 Å²	104.9	46%	0.46	56%	0.562	S	S	.	*	H	α-helix	trans	-67.6	-31.8	173.7	63	0	0	0	0	112.4	D302 S306 S307 D308	D302-T304 VanDerWaalsContact CG-OG1 3.26Å; D302-T304 PolarHBondContact O-N 3.13Å; D302-T304 VanDerWaalsContact O-N 3.09Å; D302-T304 PolarHBondContact OD1-OG1 3.48Å; D302-T304 PolarHBondContact OD2-OG1 2.91Å; T304-S306 VanDerWaalsContact C-N 3.34Å; T304-S306 PolarHBondContact O-N 3.43Å; T304-S307 PolarHBondContact O-N 3.21Å; T304-S307 PolarHBondContact O-OG 3.16Å; T304-D308 PolarHBondContact O-N 3.1Å; T304-D308 VanDerWaalsContact O-N 3.11Å
305	L	60.4	Low	68.1	Low	115 Å²	115	105.9 Å²	105.9	60%	0.602	56%	0.562	S	S	*	*	H	α-helix	trans	-68.9	-34.7	-179	-163.2	76.2	0	0	0	111.5	D302 P303 F309	D302-L305 WeakPolarHBondContact O-CB 3.49Å; D302-L305 PolarHBondContact O-N 3.11Å; P303-L305 VanDerWaalsContact C-N 3.31Å; L305-F309 PolarHBondContact O-N 2.59Å
306	S	76.7	Confident	70.4	Confident	66 Å²	66	101 Å²	101	46%	0.462	53%	0.525	S	S	.	.	H	α-helix	trans	-68.1	-40.9	173.5	45.5	0	0	0	0	112.3	P303 T304 D308 F309 D310	P303-S306 PolarHBondContact O-OG 3.47Å; T304-S306 VanDerWaalsContact C-N 3.34Å; T304-S306 PolarHBondContact O-N 3.43Å; S306-D308 VanDerWaalsContact C-N 3.35Å; S306-D308 PolarHBondContact O-N 3.09Å; S306-F309 PolarHBondContact O-N 3.31Å; S306-D310 PolarHBondContact O-N 2.91Å
307	S	84.2	Confident	72.9	Confident	62 Å²	62	98.5 Å²	98.5	43%	0.434	50%	0.502	S	S	.	.	H	α-helix	trans	-66.2	-37.5	179.7	57.3	0	0	0	0	112.7	P303 T304 Q311	P303-S307 PolarHBondContact O-N 3.16Å; T304-S307 PolarHBondContact O-N 3.21Å; T304-S307 PolarHBondContact O-OG 3.16Å; S307-Q311 WeakPolarHBondContact O-CB 3.24Å; S307-Q311 PolarHBondContact O-N 3.36Å
308	D	86.7	Confident	75.2	Confident	103 Å²	103	95.4 Å²	95.4	55%	0.551	49%	0.487	S	S	*	.	H	α-helix	trans	-68.6	-37	179	-69.1	-12.1	0	0	0	111.8	T304 S306 S312	T304-D308 PolarHBondContact O-N 3.1Å; T304-D308 VanDerWaalsContact O-N 3.11Å; S306-D308 VanDerWaalsContact C-N 3.35Å; S306-D308 PolarHBondContact O-N 3.09Å; D308-S312 WeakPolarHBondContact O-CB 3.48Å; D308-S312 PolarHBondContact O-N 3.14Å; D308-S312 PolarHBondContact O-OG 3.11Å
309	F	89.8	Confident	77.7	Confident	50 Å²	50	88.4 Å²	88.4	22%	0.219	46%	0.461	C	S	.	.	H	α-helix	trans	-66.1	-48.3	174.7	179.3	-100.2	0	0	0	111.7	K284 V287 M288 L305 S306 Q311 S312 V313	K284-F309 HydrophobicContact CB-CZ 4.28Å; K284-F309 HydrophobicContact CG-CZ 4.34Å; V287-F309 HydrophobicContact CB-CE2 3.99Å; V287-F309 HydrophobicContact CG1-CD2 3.7Å; V287-F309 HydrophobicContact CG1-CE2 3.54Å; V287-F309 HydrophobicContact CG1-CZ 4.47Å; M288-F309 HydrophobicContact CG-CE2 3.61Å; M288-F309 HydrophobicContact CG-CZ 4.05Å; M288-F309 HydrophobicContact SD-CD2 3.87Å; M288-F309 HydrophobicContact SD-CE2 3.36Å; M288-F309 WeakPolarHBondContact SD-CE2 3.34Å; M288-F309 HydrophobicContact SD-CZ 4.05Å; L305-F309 PolarHBondContact O-N 2.59Å; S306-F309 PolarHBondContact O-N 3.31Å; F309-Q311 VanDerWaalsContact C-N 3.34Å; F309-Q311 PolarHBondContact O-N 3.09Å; F309-S312 WeakPolarHBondContact O-CB 3.44Å; F309-S312 PolarHBondContact O-N 2.8Å; F309-S312 VanDerWaalsContact O-N 3.14Å; F309-V313 HydrophobicContact CD1-CG2 4.25Å; F309-V313 HydrophobicContact CE1-CG2 3.77Å; F309-V313 HydrophobicContact CE2-CG2 4.32Å; F309-V313 HydrophobicContact CZ-CG2 3.82Å; F309-V313 WeakPolarHBondContact O-CG2 3.38Å; F309-V313 PolarHBondContact O-N 2.91Å
310	D	91.4	Very high	80.1	Confident	92 Å²	92	75.8 Å²	75.8	49%	0.492	41%	0.413	S	S	.	.	H	α-helix	trans	-61.6	-42.4	179.2	-70.1	-25.7	0	0	0	111.2	S306 S312 V313 D314	S306-D310 PolarHBondContact O-N 2.91Å; D310-S312 VanDerWaalsContact C-N 3.32Å; D310-S312 PolarHBondContact O-N 3.46Å; D310-V313 WeakPolarHBondContact O-CB 3.46Å; D310-V313 PolarHBondContact O-N 3.18Å; D310-D314 PolarHBondContact O-N 2.86Å
311	Q	90.5	Very high	82.4	Confident	104 Å²	104	72.2 Å²	72.2	49%	0.486	39%	0.388	S	S	.	.	H	α-helix	trans	-60.9	-40.6	174.1	-174.8	62.3	58.8	0	0	112.1	S307 F309 V313 D314 D315	S307-Q311 WeakPolarHBondContact O-CB 3.24Å; S307-Q311 PolarHBondContact O-N 3.36Å; F309-Q311 VanDerWaalsContact C-N 3.34Å; F309-Q311 PolarHBondContact O-N 3.09Å; Q311-V313 VanDerWaalsContact C-N 3.32Å; Q311-V313 PolarHBondContact O-N 2.82Å; Q311-D314 PolarHBondContact O-N 3.09Å; Q311-D315 PolarHBondContact NE2-OD1 3.31Å; Q311-D315 WeakPolarHBondContact O-CB 3.31Å; Q311-D315 VanDerWaalsContact O-CG 3.23Å; Q311-D315 PolarHBondContact O-N 3.43Å
312	S	90.5	Very high	84.2	Confident	49 Å²	49	64 Å²	64	34%	0.343	36%	0.356	S	S	.	.	H	α-helix	trans	-67.1	-33.9	178	-60.3	0	0	0	0	112.4	D308 F309 D310 L316	D308-S312 WeakPolarHBondContact O-CB 3.48Å; D308-S312 PolarHBondContact O-N 3.14Å; D308-S312 PolarHBondContact O-OG 3.11Å; F309-S312 WeakPolarHBondContact O-CB 3.44Å; F309-S312 PolarHBondContact O-N 2.8Å; F309-S312 VanDerWaalsContact O-N 3.14Å; D310-S312 VanDerWaalsContact C-N 3.32Å; D310-S312 PolarHBondContact O-N 3.46Å; S312-L316 WeakPolarHBondContact O-CB 3.46Å; S312-L316 PolarHBondContact O-N 3.02Å; S312-L316 VanDerWaalsContact O-N 3.12Å
313	V	93.1	Very high	86	Confident	10 Å²	10	60.9 Å²	60.9	6%	0.061	34%	0.339	C	S	.	.	H	α-helix	trans	-64.9	-46.3	171.9	168.6	0	0	0	0	110.4	I283 K284 V287 F309 D310 Q311 L316 R317	I283-V313 HydrophobicContact CG2-CG1 3.99Å; K284-V313 HydrophobicContact CG-CG2 4.33Å; V287-V313 HydrophobicContact CB-CG2 4.28Å; V287-V313 HydrophobicContact CG1-CG2 4.37Å; V287-V313 HydrophobicContact CG2-CG2 3.97Å; F309-V313 HydrophobicContact CD1-CG2 4.25Å; F309-V313 HydrophobicContact CE1-CG2 3.77Å; F309-V313 HydrophobicContact CE2-CG2 4.32Å; F309-V313 HydrophobicContact CZ-CG2 3.82Å; F309-V313 WeakPolarHBondContact O-CG2 3.38Å; F309-V313 PolarHBondContact O-N 2.91Å; D310-V313 WeakPolarHBondContact O-CB 3.46Å; D310-V313 PolarHBondContact O-N 3.18Å; Q311-V313 VanDerWaalsContact C-N 3.32Å; Q311-V313 PolarHBondContact O-N 2.82Å; V313-L316 PolarHBondContact O-N 3.37Å; V313-R317 HydrophobicContact CG1-CG 4.43Å; V313-R317 WeakPolarHBondContact O-CB 3.31Å; V313-R317 WeakPolarHBondContact O-CG 3.25Å; V313-R317 PolarHBondContact O-N 3.29Å
314	D	91.4	Very high	87.8	Confident	78 Å²	78	56.3 Å²	56.3	42%	0.417	31%	0.309	S	S	.	.	H	α-helix	trans	-64.7	-41.4	178.2	-73.9	-20.3	0	0	0	112.4	D310 Q311 L316 R317 N318	D310-D314 PolarHBondContact O-N 2.86Å; Q311-D314 PolarHBondContact O-N 3.09Å; D314-L316 PolarHBondContact O-N 3.46Å; D314-R317 WeakPolarHBondContact O-CB 3.33Å; D314-R317 PolarHBondContact O-N 2.88Å; D314-N318 WeakPolarHBondContact O-CB 3.36Å; D314-N318 VanDerWaalsContact O-CG 3.22Å; D314-N318 PolarHBondContact O-N 3.39Å; D314-N318 PolarHBondContact O-ND2 2.99Å; D314-N318 VanDerWaalsContact O-ND2 3.11Å
315	D	89.5	Confident	89.3	Confident	89 Å²	89	54.5 Å²	54.5	48%	0.476	29%	0.294	S	S	.	.	H	α-helix	trans	-60.7	-45.3	176.2	-73.9	-6.2	0	0	0	111.5	Q311 N318 Y319	Q311-D315 PolarHBondContact NE2-OD1 3.31Å; Q311-D315 WeakPolarHBondContact O-CB 3.31Å; Q311-D315 VanDerWaalsContact O-CG 3.23Å; Q311-D315 PolarHBondContact O-N 3.43Å; D315-N318 PolarHBondContact O-N 3.14Å; D315-Y319 PolarHBondContact O-N 2.96Å
316	L	90.8	Very high	90.9	Very high	30 Å²	30	49.1 Å²	49.1	16%	0.157	27%	0.267	C	S	.	.	H	α-helix	trans	-65.3	-42.8	176.2	-179.7	57.6	0	0	0	111.1	I283 T286 V287 S312 V313 D314 N318 Y319 V320 W515	I283-L316 HydrophobicContact CB-CD2 4.49Å; I283-L316 HydrophobicContact CG2-CB 4.35Å; I283-L316 HydrophobicContact CG2-CD2 3.88Å; I283-L316 HydrophobicContact CG2-CG 4.17Å; T286-L316 HydrophobicContact CG2-CD2 3.74Å; V287-L316 HydrophobicContact CG2-CB 4.3Å; V287-L316 HydrophobicContact CG2-CD2 3.89Å; S312-L316 WeakPolarHBondContact O-CB 3.46Å; S312-L316 PolarHBondContact O-N 3.02Å; S312-L316 VanDerWaalsContact O-N 3.12Å; V313-L316 PolarHBondContact O-N 3.37Å; D314-L316 PolarHBondContact O-N 3.46Å; L316-N318 VanDerWaalsContact C-N 3.35Å; L316-N318 PolarHBondContact O-N 3.45Å; L316-Y319 HydrophobicContact CD1-CD1 4.07Å; L316-Y319 PolarHBondContact O-N 3.45Å; L316-V320 HydrophobicContact CD1-CG2 4.06Å; L316-V320 HydrophobicContact CG-CG2 4.39Å; L316-V320 VanDerWaalsContact O-CG2 3.27Å; L316-V320 WeakPolarHBondContact O-CG2 3.37Å; L316-V320 PolarHBondContact O-N 3.46Å; L316-W515 HydrophobicContact CD1-CZ2 4.46Å; L316-W515 HydrophobicContact CD2-CH2 4.32Å; L316-W515 HydrophobicContact CD2-CZ2 4.32Å
317	R	92.4	Very high	91.9	Very high	36 Å²	36	46 Å²	46	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-57.4	-47.8	176	-76.6	171.8	68.8	87.4	7.9	111.3	D263 G267 I283 V313 D314 Y319 V320 A321	D263-R317 IonicContact OD1-CZ 3.48Å; D263-R317 IonicContact OD1-NH1 2.63Å; D263-R317 IonicContact OD1-NH2 3.95Å; D263-R317 PolarHBondContact OD1-NH2 3.28Å; D263-R317 IonicContact OD2-NH2 3.49Å; D263-R317 PolarHBondContact OD2-NH2 3.47Å; D263-R317 VanDerWaalsContact OD2-NH2 3.07Å; G267-R317 PolarHBondContact O-NH1 2.86Å; I283-R317 HydrophobicContact CD1-CG 3.54Å; I283-R317 HydrophobicContact CG2-CG 4.01Å; V313-R317 HydrophobicContact CG1-CG 4.43Å; V313-R317 WeakPolarHBondContact O-CB 3.31Å; V313-R317 WeakPolarHBondContact O-CG 3.25Å; V313-R317 PolarHBondContact O-N 3.29Å; D314-R317 WeakPolarHBondContact O-CB 3.33Å; D314-R317 PolarHBondContact O-N 2.88Å; R317-Y319 PolarHBondContact O-N 3.04Å; R317-V320 PolarHBondContact O-N 2.87Å; R317-A321 WeakPolarHBondContact O-CB 3.36Å; R317-A321 PolarHBondContact O-N 3.26Å
318	N	91	Very high	92.5	Very high	97 Å²	97	44.5 Å²	44.5	52%	0.519	23%	0.229	S	C	.	.	H	α-helix	trans	-61.9	-42.7	179	-72.8	-32.7	0	0	0	112.2	D314 D315 L316 A321 A322	D314-N318 WeakPolarHBondContact O-CB 3.36Å; D314-N318 VanDerWaalsContact O-CG 3.22Å; D314-N318 PolarHBondContact O-N 3.39Å; D314-N318 PolarHBondContact O-ND2 2.99Å; D314-N318 VanDerWaalsContact O-ND2 3.11Å; D315-N318 PolarHBondContact O-N 3.14Å; L316-N318 VanDerWaalsContact C-N 3.35Å; L316-N318 PolarHBondContact O-N 3.45Å; N318-A321 PolarHBondContact O-N 3.19Å; N318-A322 WeakPolarHBondContact O-CB 3.43Å; N318-A322 PolarHBondContact O-N 2.96Å
319	Y	90.8	Very high	92.9	Very high	76 Å²	76	41.6 Å²	41.6	30%	0.298	21%	0.214	S	C	.	.	H	α-helix	trans	-62.6	-44.4	175	161.9	-101	0	0	0	112.5	D315 L316 R317 A322 T323 H373 E376 F378	D315-Y319 PolarHBondContact O-N 2.96Å; L316-Y319 HydrophobicContact CD1-CD1 4.07Å; L316-Y319 PolarHBondContact O-N 3.45Å; R317-Y319 PolarHBondContact O-N 3.04Å; Y319-A322 PolarHBondContact O-N 3.46Å; Y319-T323 WeakPolarHBondContact CE2-OG1 3.3Å; Y319-T323 WeakPolarHBondContact O-CB 3.45Å; Y319-T323 PolarHBondContact O-N 3.11Å; Y319-T323 PolarHBondContact O-OG1 3.31Å; Y319-H373 PolarHBondContact OH-NE2 3.19Å; Y319-E376 WeakPolarHBondContact CE1-OE1 3.31Å; Y319-E376 PolarHBondContact OH-OE1 3.45Å; Y319-F378 HydrophobicContact CE1-CE2 4.4Å; Y319-F378 HydrophobicContact CE1-CZ 4.07Å
320	V	94.6	Very high	93.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.3	-44.4	178.8	177.8	0	0	0	0	110.5	M269 A278 L316 R317 T323 A324 F378 W515	M269-V320 HydrophobicContact CE-CB 4.12Å; M269-V320 HydrophobicContact CE-CG1 3.49Å; M269-V320 VanDerWaalsContact CE-CG1 3.49Å; A278-V320 HydrophobicContact CB-CG1 3.92Å; L316-V320 HydrophobicContact CD1-CG2 4.06Å; L316-V320 HydrophobicContact CG-CG2 4.39Å; L316-V320 VanDerWaalsContact O-CG2 3.27Å; L316-V320 WeakPolarHBondContact O-CG2 3.37Å; L316-V320 PolarHBondContact O-N 3.46Å; R317-V320 PolarHBondContact O-N 2.87Å; V320-T323 PolarHBondContact O-N 3.43Å; V320-A324 WeakPolarHBondContact O-CB 3.43Å; V320-A324 PolarHBondContact O-N 3.44Å; V320-F378 HydrophobicContact CG1-CE1 3.96Å; V320-W515 HydrophobicContact CB-CG 4.46Å; V320-W515 HydrophobicContact CG1-CB 3.48Å; V320-W515 VanDerWaalsContact CG1-CB 3.48Å; V320-W515 HydrophobicContact CG1-CD2 4.04Å; V320-W515 HydrophobicContact CG1-CG 3.59Å; V320-W515 HydrophobicContact CG2-CD2 3.82Å; V320-W515 HydrophobicContact CG2-CG 3.89Å; V320-W515 HydrophobicContact CG2-CZ2 4.32Å
321	A	94	Very high	93.5	Very high	7 Å²	7	34.9 Å²	34.9	6%	0.058	18%	0.18	C	C	.	.	H	α-helix	trans	-59	-47	176	0	0	0	0	0	111.8	F259 Y261 M269 R317 N318 T323 A324 W325	F259-A321 HydrophobicContact CB-CB 4.13Å; F259-A321 HydrophobicContact CD2-CB 4.38Å; F259-A321 HydrophobicContact CG-CB 4.35Å; Y261-A321 HydrophobicContact CD2-CB 3.91Å; Y261-A321 HydrophobicContact CE2-CB 4.36Å; Y261-A321 WeakPolarHBondContact CE2-O 3.41Å; M269-A321 HydrophobicContact CE-CB 4.47Å; M269-A321 HydrophobicContact SD-CB 3.82Å; R317-A321 WeakPolarHBondContact O-CB 3.36Å; R317-A321 PolarHBondContact O-N 3.26Å; N318-A321 PolarHBondContact O-N 3.19Å; A321-T323 PolarHBondContact O-N 3.32Å; A321-A324 PolarHBondContact O-N 2.91Å; A321-W325 WeakPolarHBondContact O-CB 3.35Å; A321-W325 PolarHBondContact O-N 3.47Å
322	A	91.7	Very high	93.8	Very high	31 Å²	31	32 Å²	32	26%	0.256	17%	0.168	S	C	.	.	H	α-helix	trans	-63.1	-43.9	179	0	0	0	0	0	112.5	F259 N318 Y319 W325 A326	F259-A322 HydrophobicContact CE1-CB 3.87Å; F259-A322 HydrophobicContact CE2-CB 3.92Å; F259-A322 HydrophobicContact CZ-CB 3.48Å; F259-A322 VanDerWaalsContact CZ-CB 3.48Å; N318-A322 WeakPolarHBondContact O-CB 3.43Å; N318-A322 PolarHBondContact O-N 2.96Å; Y319-A322 PolarHBondContact O-N 3.46Å; A322-W325 PolarHBondContact O-N 3.39Å; A322-A326 PolarHBondContact O-N 3.12Å
323	T	94.2	Very high	94.1	Very high	12 Å²	12	31.4 Å²	31.4	7%	0.074	16%	0.158	C	C	.	.	H	α-helix	trans	-69.1	-42.6	179.6	-55.9	0	0	0	0	111.5	L148 Y319 V320 A321 W325 A326 L327 Y369 F378	L148-T323 HydrophobicContact CD2-CG2 3.86Å; Y319-T323 WeakPolarHBondContact CE2-OG1 3.3Å; Y319-T323 WeakPolarHBondContact O-CB 3.45Å; Y319-T323 PolarHBondContact O-N 3.11Å; Y319-T323 PolarHBondContact O-OG1 3.31Å; V320-T323 PolarHBondContact O-N 3.43Å; A321-T323 PolarHBondContact O-N 3.32Å; T323-W325 VanDerWaalsContact C-N 3.34Å; T323-A326 PolarHBondContact O-N 3.37Å; T323-L327 HydrophobicContact CG2-CD1 4.47Å; T323-L327 WeakPolarHBondContact O-CG 3.27Å; T323-L327 PolarHBondContact O-N 2.95Å; T323-L327 VanDerWaalsContact O-N 3.12Å; T323-Y369 HydrophobicContact CG2-CD1 4.12Å; T323-Y369 HydrophobicContact CG2-CE1 3.93Å; T323-F378 HydrophobicContact CG2-CD1 3.92Å; T323-F378 HydrophobicContact CG2-CD2 3.87Å; T323-F378 HydrophobicContact CG2-CE1 3.64Å; T323-F378 HydrophobicContact CG2-CE2 3.61Å; T323-F378 HydrophobicContact CG2-CG 4.03Å; T323-F378 HydrophobicContact CG2-CZ 3.48Å; T323-F378 VanDerWaalsContact CG2-CZ 3.48Å
324	A	96.7	Very high	94.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.1	-39.7	176.6	0	0	0	0	0	111.5	Y261 T277 V320 A321 A326 L327 R328 V513	Y261-A324 HydrophobicContact CE1-CB 4.4Å; Y261-A324 VanDerWaalsContact OH-CB 3.25Å; Y261-A324 WeakPolarHBondContact OH-CB 3.39Å; T277-A324 HydrophobicContact CG2-CB 3.56Å; V320-A324 WeakPolarHBondContact O-CB 3.43Å; V320-A324 PolarHBondContact O-N 3.44Å; A321-A324 PolarHBondContact O-N 2.91Å; A324-A326 PolarHBondContact O-N 3.44Å; A324-L327 PolarHBondContact O-N 3.32Å; A324-R328 VanDerWaalsContact O-CB 3.3Å; A324-R328 WeakPolarHBondContact O-CB 3.45Å; A324-R328 PolarHBondContact O-N 3.5Å; A324-V513 HydrophobicContact CB-CB 4.28Å; A324-V513 HydrophobicContact CB-CG1 3.77Å
325	W	94.8	Very high	94.6	Very high	38 Å²	38	28.2 Å²	28.2	14%	0.144	14%	0.141	C	C	.	.	H	α-helix	trans	-60.2	-44.7	173.6	-177.6	95.4	0	0	0	111.5	L250 F259 Y261 A321 A322 T323 L327 R328 N329	L250-W325 HydrophobicContact CD2-CH2 3.58Å; L250-W325 HydrophobicContact CD2-CZ3 3.64Å; F259-W325 HydrophobicContact CD1-CB 3.58Å; F259-W325 AromaticContact CD1-CD1 3.85Å; F259-W325 HydrophobicContact CD1-CD2 4.09Å; F259-W325 AromaticContact CD1-CG 3.58Å; F259-W325 HydrophobicContact CD1-CG 3.58Å; F259-W325 HydrophobicContact CE1-CB 4.12Å; F259-W325 HydrophobicContact CE1-CD2 4.2Å; F259-W325 HydrophobicContact CE1-CE3 4.37Å; F259-W325 HydrophobicContact CE1-CG 4.11Å; Y261-W325 HydrophobicContact CE2-CB 4.1Å; Y261-W325 PolarHBondContact OH-N 3.4Å; A321-W325 WeakPolarHBondContact O-CB 3.35Å; A321-W325 PolarHBondContact O-N 3.47Å; A322-W325 PolarHBondContact O-N 3.39Å; T323-W325 VanDerWaalsContact C-N 3.34Å; W325-L327 PolarHBondContact O-N 2.98Å; W325-R328 PolarHBondContact O-N 3.26Å; W325-N329 HydrophobicContact CD2-CB 4.39Å; W325-N329 VanDerWaalsContact CD2-ND2 3.28Å; W325-N329 HydrophobicContact CH2-CB 4.46Å; W325-N329 HydrophobicContact CZ2-CB 4.28Å; W325-N329 PolarHBondContact NE1-ND2 2.89Å; W325-N329 WeakPolarHBondContact O-CB 3.4Å; W325-N329 PolarHBondContact O-N 2.94Å; W325-N329 PolarHBondContact O-ND2 3.42Å
326	A	94.1	Very high	95	Very high	2 Å²	2	27.9 Å²	27.9	2%	0.017	14%	0.139	C	C	.	.	H	α-helix	trans	-60.5	-45.9	179.3	0	0	0	0	0	112.1	G147 L148 A322 T323 A324 G330	G147-A326 VanDerWaalsContact C-CB 3.46Å; G147-A326 VanDerWaalsContact O-CB 3.28Å; G147-A326 WeakPolarHBondContact O-CB 3.46Å; L148-A326 HydrophobicContact CD2-CB 3.66Å; L148-A326 HydrophobicContact CG-CB 4.06Å; A322-A326 PolarHBondContact O-N 3.12Å; T323-A326 PolarHBondContact O-N 3.37Å; A324-A326 PolarHBondContact O-N 3.44Å; A326-G330 PolarHBondContact O-N 3.48Å
327	L	97.1	Very high	95.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-62.2	-46.2	175.5	-68.1	166.4	0	0	0	111.4	I144 L148 T323 A324 W325 L331 Y369 F378 A380 V513	I144-L327 HydrophobicContact CD1-CD2 4.49Å; I144-L327 HydrophobicContact CG1-CD2 4.39Å; I144-L327 HydrophobicContact CG2-CD2 3.6Å; L148-L327 HydrophobicContact CD1-CD2 4.49Å; T323-L327 HydrophobicContact CG2-CD1 4.47Å; T323-L327 WeakPolarHBondContact O-CG 3.27Å; T323-L327 PolarHBondContact O-N 2.95Å; T323-L327 VanDerWaalsContact O-N 3.12Å; A324-L327 PolarHBondContact O-N 3.32Å; W325-L327 PolarHBondContact O-N 2.98Å; L327-L331 PolarHBondContact O-N 3.19Å; L327-Y369 HydrophobicContact CD1-CD1 4.47Å; L327-F378 HydrophobicContact CD1-CB 3.37Å; L327-F378 HydrophobicContact CD1-CD1 4.18Å; L327-F378 HydrophobicContact CD1-CG 3.97Å; L327-A380 HydrophobicContact CB-CB 4.3Å; L327-V513 HydrophobicContact CB-CG2 4.28Å; L327-V513 HydrophobicContact CD1-CG1 4.11Å
328	R	96.9	Very high	95.3	Very high	29 Å²	29	25.6 Å²	25.6	11%	0.109	13%	0.129	C	C	.	.	H	α-helix	trans	-65.3	-50.1	-177.3	-173.7	174.5	-174	-83.1	11.6	112.3	D273 A324 W325 L332 P511 V513	D273-R328 IonicContact OD2-CZ 3.14Å; D273-R328 IonicContact OD2-NH2 2.68Å; D273-R328 PolarHBondContact OD2-NH2 2.95Å; A324-R328 VanDerWaalsContact O-CB 3.3Å; A324-R328 WeakPolarHBondContact O-CB 3.45Å; A324-R328 PolarHBondContact O-N 3.5Å; W325-R328 PolarHBondContact O-N 3.26Å; R328-L332 HydrophobicContact CG-CD1 4.21Å; R328-L332 WeakPolarHBondContact O-CB 3.44Å; R328-L332 WeakPolarHBondContact O-CG 3.46Å; R328-L332 PolarHBondContact O-N 3.41Å; R328-L332 VanDerWaalsContact O-N 3.12Å; R328-P511 HydrophobicContact CB-CG 4.11Å; R328-P511 HydrophobicContact CG-CG 3.9Å; R328-V513 HydrophobicContact CB-CG2 3.95Å
329	N	94.8	Very high	95.5	Very high	42 Å²	42	21.4 Å²	21.4	23%	0.225	11%	0.107	C	C	.	.	H	α-helix	trans	-74	-33.7	-176.9	-72.5	-83.7	0	0	0	112.3	W325 L332 R333	W325-N329 HydrophobicContact CD2-CB 4.39Å; W325-N329 VanDerWaalsContact CD2-ND2 3.28Å; W325-N329 HydrophobicContact CH2-CB 4.46Å; W325-N329 HydrophobicContact CZ2-CB 4.28Å; W325-N329 PolarHBondContact NE1-ND2 2.89Å; W325-N329 WeakPolarHBondContact O-CB 3.4Å; W325-N329 PolarHBondContact O-N 2.94Å; W325-N329 PolarHBondContact O-ND2 3.42Å; N329-L332 PolarHBondContact O-N 2.89Å; N329-R333 WeakPolarHBondContact O-CB 3.49Å; N329-R333 PolarHBondContact O-N 3.31Å
330	G	96.2	Very high	95.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-57.8	-51.2	174.2	0	0	0	0	0	111.8	Y143 A326 R333 M334	Y143-G330 VanDerWaalsContact CB-O 3.3Å; Y143-G330 WeakPolarHBondContact CB-O 3.27Å; A326-G330 PolarHBondContact O-N 3.48Å; G330-R333 PolarHBondContact O-N 2.99Å; G330-M334 PolarHBondContact O-N 3.22Å
331	L	97.9	Very high	95.5	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-66.8	-41.9	179.4	-69.2	178.7	0	0	0	112.9	H140 I144 L327 R333 M334 D335 A380 F469 P511	H140-L331 HydrophobicContact CB-CD2 4.04Å; I144-L331 HydrophobicContact CD1-CD1 4.38Å; I144-L331 HydrophobicContact CD1-CD2 3.77Å; I144-L331 HydrophobicContact CD1-CG 4.03Å; I144-L331 HydrophobicContact CG1-CD2 4.08Å; I144-L331 HydrophobicContact CG1-CG 4.09Å; L327-L331 PolarHBondContact O-N 3.19Å; L331-R333 VanDerWaalsContact C-N 3.33Å; L331-R333 PolarHBondContact O-N 3.04Å; L331-M334 HydrophobicContact CD2-CE 3.9Å; L331-M334 PolarHBondContact O-N 2.99Å; L331-D335 PolarHBondContact O-N 3.4Å; L331-A380 HydrophobicContact CD1-CB 4.15Å; L331-F469 HydrophobicContact CB-CE1 4.12Å; L331-F469 HydrophobicContact CB-CZ 4.05Å; L331-F469 HydrophobicContact CD1-CZ 4.34Å; L331-F469 HydrophobicContact CD2-CZ 4Å; L331-F469 HydrophobicContact CG-CZ 4.36Å; L331-P511 HydrophobicContact CB-CG 4.11Å; L331-P511 HydrophobicContact CD1-CB 4.03Å; L331-P511 HydrophobicContact CD1-CG 4.05Å
332	L	96.8	Very high	95.5	Very high	42 Å²	42	20.5 Å²	20.5	22%	0.22	11%	0.109	C	C	.	.	H	α-helix	trans	-58.8	-45.7	173.2	-86.1	173.6	0	0	0	112.1	R328 N329 M334 D335 L336 T510	R328-L332 HydrophobicContact CG-CD1 4.21Å; R328-L332 WeakPolarHBondContact O-CB 3.44Å; R328-L332 WeakPolarHBondContact O-CG 3.46Å; R328-L332 PolarHBondContact O-N 3.41Å; R328-L332 VanDerWaalsContact O-N 3.12Å; N329-L332 PolarHBondContact O-N 2.89Å; L332-M334 VanDerWaalsContact C-N 3.34Å; L332-M334 PolarHBondContact O-N 3.36Å; L332-D335 PolarHBondContact O-N 3.28Å; L332-L336 PolarHBondContact O-N 3.47Å; L332-L336 VanDerWaalsContact O-N 3.07Å; L332-T510 HydrophobicContact CD1-CG2 4.2Å; L332-T510 VanDerWaalsContact CD2-CA 3.5Å; L332-T510 HydrophobicContact CD2-CG2 4.48Å; L332-T510 WeakPolarHBondContact CD2-OG1 3.5Å
333	R	96.9	Very high	95.3	Very high	38 Å²	38	19.3 Å²	19.3	14%	0.143	10%	0.098	C	C	.	.	H	α-helix	trans	-64.1	-41.1	-179	-178.6	56.5	-177.4	-130.1	-9.1	111.3	Y143 F246 E249 N329 G330 L331 D335 L336 D337	Y143-R333 HydrophobicContact CD1-CB 4.22Å; Y143-R333 HydrophobicContact CD1-CG 4.05Å; Y143-R333 HydrophobicContact CE1-CG 4Å; F246-R333 HydrophobicContact CD1-CG 4.36Å; F246-R333 HydrophobicContact CD2-CG 3.94Å; F246-R333 HydrophobicContact CE2-CB 4.38Å; F246-R333 HydrophobicContact CE2-CG 4.19Å; F246-R333 HydrophobicContact CG-CG 4.04Å; F246-R333 HydrophobicContact CZ-CB 4.37Å; F246-R333 HydrophobicContact CZ-CG 4.49Å; E249-R333 IonicContact OE1-CZ 2.89Å; E249-R333 IonicContact OE1-NH1 3.23Å; E249-R333 PolarHBondContact OE1-NH1 3.37Å; E249-R333 IonicContact OE1-NH2 2.7Å; E249-R333 PolarHBondContact OE1-NH2 3.23Å; E249-R333 IonicContact OE2-CZ 2.78Å; E249-R333 IonicContact OE2-NH1 2.66Å; E249-R333 PolarHBondContact OE2-NH1 3.1Å; E249-R333 IonicContact OE2-NH2 3.9Å; E249-R333 PolarHBondContact OE2-NH2 2.94Å; N329-R333 WeakPolarHBondContact O-CB 3.49Å; N329-R333 PolarHBondContact O-N 3.31Å; G330-R333 PolarHBondContact O-N 2.99Å; L331-R333 VanDerWaalsContact C-N 3.33Å; L331-R333 PolarHBondContact O-N 3.04Å; R333-D335 PolarHBondContact O-N 3.26Å; R333-L336 PolarHBondContact O-N 3.48Å; R333-D337 WeakPolarHBondContact CD-OD2 3.27Å; R333-D337 WeakPolarHBondContact CG-OD2 3.42Å; R333-D337 IonicContact CZ-OD1 3.41Å; R333-D337 IonicContact CZ-OD2 3.74Å; R333-D337 IonicContact NE-OD1 2.65Å; R333-D337 PolarHBondContact NE-OD1 2.76Å; R333-D337 IonicContact NE-OD2 3.85Å; R333-D337 PolarHBondContact NE-OD2 2.89Å; R333-D337 IonicContact NH2-OD1 3.07Å; R333-D337 IonicContact NH2-OD2 3.61Å; R333-D337 VanDerWaalsContact O-CB 3.29Å; R333-D337 WeakPolarHBondContact O-CB 3.29Å; R333-D337 PolarHBondContact O-N 3.26Å
334	M	97.7	Very high	94.7	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-56.1	-48.8	175	-179.8	-176.9	60.1	0	0	112.4	V136 L139 H140 Y143 G330 L331 L332 D337 M338 F469	V136-M334 HydrophobicContact CB-CE 4.44Å; V136-M334 HydrophobicContact CG1-CE 3.99Å; V136-M334 HydrophobicContact CG2-CE 3.99Å; V136-M334 HydrophobicContact CG2-SD 4.49Å; L139-M334 HydrophobicContact CB-SD 4.07Å; H140-M334 WeakPolarHBondContact CA-SD 3.25Å; H140-M334 HydrophobicContact CB-CE 4.06Å; H140-M334 HydrophobicContact CB-SD 3.82Å; Y143-M334 HydrophobicContact CD1-CB 3.98Å; Y143-M334 HydrophobicContact CD2-CB 3.54Å; Y143-M334 HydrophobicContact CD2-CG 3.63Å; Y143-M334 HydrophobicContact CD2-SD 4.18Å; Y143-M334 HydrophobicContact CE1-CB 4.21Å; Y143-M334 HydrophobicContact CE2-CB 3.78Å; Y143-M334 HydrophobicContact CE2-CG 3.63Å; Y143-M334 HydrophobicContact CG-CB 3.64Å; Y143-M334 HydrophobicContact CG-CG 4.27Å; G330-M334 PolarHBondContact O-N 3.22Å; L331-M334 HydrophobicContact CD2-CE 3.9Å; L331-M334 PolarHBondContact O-N 2.99Å; L332-M334 VanDerWaalsContact C-N 3.34Å; L332-M334 PolarHBondContact O-N 3.36Å; M334-D337 PolarHBondContact O-N 3.31Å; M334-M338 WeakPolarHBondContact O-CG 3.22Å; M334-M338 PolarHBondContact O-N 2.91Å; M334-F469 HydrophobicContact CE-CD1 3.91Å; M334-F469 HydrophobicContact CE-CE1 3.65Å; M334-F469 HydrophobicContact CE-CG 4.46Å; M334-F469 HydrophobicContact CE-CZ 3.99Å
335	D	98.3	Very high	93.9	Very high	18 Å²	18	23 Å²	23	10%	0.096	12%	0.121	C	C	.	.	H	α-helix	trans	-63.5	-42.7	179.7	-167.5	66.5	0	0	0	111.9	L331 L332 R333 S339 F469 G470 K475 A509	L331-D335 PolarHBondContact O-N 3.4Å; L332-D335 PolarHBondContact O-N 3.28Å; R333-D335 PolarHBondContact O-N 3.26Å; D335-S339 VanDerWaalsContact O-CB 3.29Å; D335-S339 WeakPolarHBondContact O-CB 3.43Å; D335-S339 PolarHBondContact O-N 3.37Å; D335-S339 PolarHBondContact O-OG 3.29Å; D335-F469 HydrophobicContact CB-CD1 3.94Å; D335-F469 VanDerWaalsContact OD1-CA 3.25Å; D335-F469 WeakPolarHBondContact OD1-CA 3.47Å; D335-G470 PolarHBondContact OD1-N 2.78Å; D335-K475 VanDerWaalsContact CG-NZ 3.29Å; D335-K475 IonicContact OD1-NZ 2.81Å; D335-K475 PolarHBondContact OD1-NZ 3.12Å; D335-K475 VanDerWaalsContact OD1-NZ 3.14Å; D335-K475 IonicContact OD2-NZ 2.92Å; D335-K475 PolarHBondContact OD2-NZ 3Å; D335-A509 HydrophobicContact CB-CB 3.49Å; D335-A509 VanDerWaalsContact CB-CB 3.49Å; D335-A509 VanDerWaalsContact OD2-CB 3.24Å; D335-A509 WeakPolarHBondContact OD2-CB 3.4Å
336	L	96.9	Very high	92.8	Very high	83 Å²	83	27.7 Å²	27.7	44%	0.435	14%	0.143	S	C	.	.	H	α-helix	trans	-62.3	-48.2	177.4	178.3	61.6	0	0	0	111	L332 R333 M338 S339 L340	L332-L336 PolarHBondContact O-N 3.47Å; L332-L336 VanDerWaalsContact O-N 3.07Å; R333-L336 PolarHBondContact O-N 3.48Å; L336-M338 PolarHBondContact O-N 3.14Å; L336-S339 WeakPolarHBondContact O-CB 3.34Å; L336-S339 PolarHBondContact O-N 2.86Å; L336-L340 HydrophobicContact CD1-CD1 3.95Å; L336-L340 HydrophobicContact CD1-CD2 4.45Å; L336-L340 HydrophobicContact CD1-CG 3.96Å; L336-L340 HydrophobicContact CG-CD1 3.9Å; L336-L340 HydrophobicContact CG-CG 4.29Å; L336-L340 WeakPolarHBondContact O-CB 3.27Å; L336-L340 VanDerWaalsContact O-CG 3.31Å; L336-L340 WeakPolarHBondContact O-CG 3.36Å; L336-L340 PolarHBondContact O-N 3.44Å
337	D	96.3	Very high	91.8	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.027	17%	0.168	C	C	.	.	H	α-helix	trans	-64.7	-40	-177.9	-83.6	-16.7	0	0	0	112	Y143 H242 R333 M334 A341	Y143-D337 HydrophobicContact CE1-CB 4.39Å; Y143-D337 WeakPolarHBondContact CE1-OD2 3.43Å; Y143-D337 WeakPolarHBondContact OH-CB 3.47Å; H242-D337 HydrophobicContact CB-CB 4.13Å; H242-D337 WeakPolarHBondContact CB-OD2 3.34Å; H242-D337 PolarHBondContact CE1-O 3.33Å; H242-D337 IonicContact CG-OD2 3.53Å; R333-D337 WeakPolarHBondContact CD-OD2 3.27Å; R333-D337 WeakPolarHBondContact CG-OD2 3.42Å; R333-D337 IonicContact CZ-OD1 3.41Å; R333-D337 IonicContact CZ-OD2 3.74Å; R333-D337 IonicContact NE-OD1 2.65Å; R333-D337 PolarHBondContact NE-OD1 2.76Å; R333-D337 IonicContact NE-OD2 3.85Å; R333-D337 PolarHBondContact NE-OD2 2.89Å; R333-D337 IonicContact NH2-OD1 3.07Å; R333-D337 IonicContact NH2-OD2 3.61Å; R333-D337 VanDerWaalsContact O-CB 3.29Å; R333-D337 WeakPolarHBondContact O-CB 3.29Å; R333-D337 PolarHBondContact O-N 3.26Å; M334-D337 PolarHBondContact O-N 3.31Å; D337-A341 VanDerWaalsContact O-CB 3.31Å; D337-A341 WeakPolarHBondContact O-CB 3.44Å; D337-A341 PolarHBondContact O-N 2.95Å
338	M	94.7	Very high	90.6	Very high	12 Å²	12	34.5 Å²	34.5	6%	0.059	18%	0.181	C	C	.	.	H	α-helix	trans	-66.2	-40.2	172.8	-69.1	-59	95.5	0	0	112.1	L139 V235 H242 M334 L336 A342 L355 V359	L139-M338 HydrophobicContact CD1-CE 4.49Å; L139-M338 HydrophobicContact CD1-CG 4.47Å; L139-M338 HydrophobicContact CD1-SD 3.84Å; V235-M338 HydrophobicContact CG1-SD 4.32Å; H242-M338 WeakPolarHBondContact ND1-CE 3.31Å; M334-M338 WeakPolarHBondContact O-CG 3.22Å; M334-M338 PolarHBondContact O-N 2.91Å; L336-M338 PolarHBondContact O-N 3.14Å; M338-A342 WeakPolarHBondContact O-CB 3.22Å; M338-A342 PolarHBondContact O-N 2.85Å; M338-L355 HydrophobicContact SD-CD2 4.28Å; M338-V359 HydrophobicContact CB-CG1 4.29Å; M338-V359 WeakPolarHBondContact O-CG1 3.35Å
339	S	94.7	Very high	89.5	Confident	9 Å²	9	37.9 Å²	37.9	6%	0.063	21%	0.207	C	C	.	.	H	α-helix	trans	-61.9	-49.5	175.7	-65.6	0	0	0	0	111.7	D335 L336 A341 A342 S343 W476	D335-S339 VanDerWaalsContact O-CB 3.29Å; D335-S339 WeakPolarHBondContact O-CB 3.43Å; D335-S339 PolarHBondContact O-N 3.37Å; D335-S339 PolarHBondContact O-OG 3.29Å; L336-S339 WeakPolarHBondContact O-CB 3.34Å; L336-S339 PolarHBondContact O-N 2.86Å; S339-A341 PolarHBondContact O-N 2.97Å; S339-A342 PolarHBondContact O-N 2.81Å; S339-S343 PolarHBondContact O-N 3.06Å; S339-W476 WeakPolarHBondContact O-CZ2 3.45Å
340	L	93.2	Very high	88.9	Confident	50 Å²	50	41.8 Å²	41.8	26%	0.262	23%	0.232	S	C	.	.	H	α-helix	trans	-62.9	-43.6	-179.9	-69.4	176.5	0	0	0	111.4	L336 A342 S343 F346 H347	L336-L340 HydrophobicContact CD1-CD1 3.95Å; L336-L340 HydrophobicContact CD1-CD2 4.45Å; L336-L340 HydrophobicContact CD1-CG 3.96Å; L336-L340 HydrophobicContact CG-CD1 3.9Å; L336-L340 HydrophobicContact CG-CG 4.29Å; L336-L340 WeakPolarHBondContact O-CB 3.27Å; L336-L340 VanDerWaalsContact O-CG 3.31Å; L336-L340 WeakPolarHBondContact O-CG 3.36Å; L336-L340 PolarHBondContact O-N 3.44Å; L340-A342 PolarHBondContact O-N 2.89Å; L340-S343 WeakPolarHBondContact O-CB 3.37Å; L340-S343 PolarHBondContact O-N 3.36Å; L340-F346 HydrophobicContact CD2-CD1 4.38Å; L340-F346 HydrophobicContact CD2-CD2 3.73Å; L340-F346 HydrophobicContact CD2-CE1 4.11Å; L340-F346 HydrophobicContact CD2-CE2 3.42Å; L340-F346 VanDerWaalsContact CD2-CE2 3.42Å; L340-F346 HydrophobicContact CD2-CG 4.2Å; L340-F346 HydrophobicContact CD2-CZ 3.63Å; L340-H347 PolarHBondContact O-CD2 3.27Å
341	A	92.3	Very high	88.4	Confident	10 Å²	10	43.2 Å²	43.2	8%	0.083	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-30.6	177.3	0	0	0	0	0	113.5	A238 D337 S339 H347 L355	A238-A341 HydrophobicContact CB-CB 4.22Å; D337-A341 VanDerWaalsContact O-CB 3.31Å; D337-A341 WeakPolarHBondContact O-CB 3.44Å; D337-A341 PolarHBondContact O-N 2.95Å; S339-A341 PolarHBondContact O-N 2.97Å; A341-H347 WeakPolarHBondContact CA-NE2 3.27Å; A341-H347 PolarHBondContact O-CD2 3.5Å; A341-L355 HydrophobicContact CB-CD1 3.91Å; A341-L355 HydrophobicContact CB-CD2 4.13Å; A341-L355 WeakPolarHBondContact O-CD1 3.44Å
342	A	92.7	Very high	88.1	Confident	5 Å²	5	45.4 Å²	45.4	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-83.2	-14	177	0	0	0	0	0	113.6	M338 S339 L340 L355 L356 V359 W476	M338-A342 WeakPolarHBondContact O-CB 3.22Å; M338-A342 PolarHBondContact O-N 2.85Å; S339-A342 PolarHBondContact O-N 2.81Å; L340-A342 PolarHBondContact O-N 2.89Å; A342-L355 HydrophobicContact CB-CB 3.92Å; A342-L356 HydrophobicContact CB-CD2 4.3Å; A342-V359 HydrophobicContact CB-CB 4.22Å; A342-V359 HydrophobicContact CB-CG1 3.7Å; A342-V359 HydrophobicContact CB-CG2 3.48Å; A342-V359 VanDerWaalsContact CB-CG2 3.48Å; A342-W476 HydrophobicContact CB-CH2 4.45Å
343	S	89.1	Confident	87.8	Confident	5 Å²	5	49.7 Å²	49.7	4%	0.035	27%	0.268	C	S	.	.			trans	-83.3	123	-169.8	-179.6	0	0	0	0	112.7	S339 L340 T345 F346 H347	S339-S343 PolarHBondContact O-N 3.06Å; L340-S343 WeakPolarHBondContact O-CB 3.37Å; L340-S343 PolarHBondContact O-N 3.36Å; S343-T345 PolarHBondContact O-N 2.93Å; S343-T345 PolarHBondContact OG-N 3.14Å; S343-F346 PolarHBondContact O-N 3.39Å; S343-H347 PolarHBondContact O-N 3.36Å; S343-H347 VanDerWaalsContact O-N 3.15Å
344	P	80.5	Confident	87.5	Confident	9 Å²	9	48.9 Å²	48.9	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-66.6	-22.6	176.6	27.1	-33.5	0	0	0	112.9	F346 G348 L351 I484 L487	P344-F346 PolarHBondContact O-N 3.38Å; P344-G348 VanDerWaalsContact CA-O 3.29Å; P344-G348 WeakPolarHBondContact CA-O 3.45Å; P344-G348 WeakPolarHBondContact CB-O 3.2Å; P344-G348 CarbonylContact O-C 3.45Å; P344-G348 WeakPolarHBondContact O-CA 3.28Å; P344-G348 PolarHBondContact O-N 2.95Å; P344-L351 HydrophobicContact CB-CD2 3.83Å; P344-L351 HydrophobicContact CG-CD2 4.05Å; P344-I484 HydrophobicContact CG-CG1 3.84Å; P344-L487 HydrophobicContact CB-CD1 3.79Å; P344-L487 HydrophobicContact CG-CD1 4.1Å
345	T	79.2	Confident	87.4	Confident	81 Å²	81	49.1 Å²	49.1	50%	0.497	27%	0.27	S	S	.	.	H	α-helix	trans	-64.4	-29.4	177.6	-54.9	0	0	0	0	111.3	S343 D480	S343-T345 PolarHBondContact O-N 2.93Å; S343-T345 PolarHBondContact OG-N 3.14Å; T345-D480 PolarHBondContact OG1-OD1 3.46Å
346	F	73.5	Confident	87.2	Confident	137 Å²	137	48.8 Å²	48.8	60%	0.601	27%	0.268	S	S	*	.	H	α-helix	trans	-99.6	-31.7	179.3	-66.4	-87.8	0	0	0	113.6	L340 S343 P344	L340-F346 HydrophobicContact CD2-CD1 4.38Å; L340-F346 HydrophobicContact CD2-CD2 3.73Å; L340-F346 HydrophobicContact CD2-CE1 4.11Å; L340-F346 HydrophobicContact CD2-CE2 3.42Å; L340-F346 VanDerWaalsContact CD2-CE2 3.42Å; L340-F346 HydrophobicContact CD2-CG 4.2Å; L340-F346 HydrophobicContact CD2-CZ 3.63Å; S343-F346 PolarHBondContact O-N 3.39Å; P344-F346 PolarHBondContact O-N 3.38Å
347	H	71.5	Confident	87	Confident	119 Å²	119	51.8 Å²	51.8	55%	0.551	27%	0.274	S	S	*	.	H	α-helix	trans	-108.5	3.6	-174.6	-70.7	-74.3	0	0	0	115.2	L340 A341 S343	L340-H347 PolarHBondContact O-CD2 3.27Å; A341-H347 WeakPolarHBondContact CA-NE2 3.27Å; A341-H347 PolarHBondContact O-CD2 3.5Å; S343-H347 PolarHBondContact O-N 3.36Å; S343-H347 VanDerWaalsContact O-N 3.15Å
348	G	72.2	Confident	87	Confident	27 Å²	27	52 Å²	52	28%	0.278	28%	0.275	S	S	.	.			trans	82.5	-173.6	-176.8	0	0	0	0	0	113.1	P344 V350	P344-G348 VanDerWaalsContact CA-O 3.29Å; P344-G348 WeakPolarHBondContact CA-O 3.45Å; P344-G348 WeakPolarHBondContact CB-O 3.2Å; P344-G348 CarbonylContact O-C 3.45Å; P344-G348 WeakPolarHBondContact O-CA 3.28Å; P344-G348 PolarHBondContact O-N 2.95Å; G348-V350 PolarHBondContact O-N 3.37Å; G348-V350 VanDerWaalsContact O-N 3.13Å
349	P	73.8	Confident	87.1	Confident	99 Å²	99	51.5 Å²	51.5	64%	0.643	27%	0.273	S	S	*	.	S	Bend	trans	-73.8	-7.2	-168.1	30.6	-36.7	0	0	0	114.3	L351 L487	P349-L351 PolarHBondContact O-N 3.26Å; P349-L487 HydrophobicContact CB-CD2 4.26Å
350	V	82.8	Confident	87.2	Confident	124 Å²	124	53 Å²	53	75%	0.752	28%	0.278	S	S	*	.			trans	-83.3	105.2	-178.9	-178.1	0	0	0	0	109.1	G348	G348-V350 PolarHBondContact O-N 3.37Å; G348-V350 VanDerWaalsContact O-N 3.13Å
351	L	86.6	Confident	87.4	Confident	31 Å²	31	50.8 Å²	50.8	16%	0.162	27%	0.267	C	S	.	.			trans	-78.6	126.7	178.6	-63.5	179.1	0	0	0	111.9	P344 P349 K353 L356 L487 L488	P344-L351 HydrophobicContact CB-CD2 3.83Å; P344-L351 HydrophobicContact CG-CD2 4.05Å; P349-L351 PolarHBondContact O-N 3.26Å; L351-K353 PolarHBondContact O-N 3.48Å; L351-L356 HydrophobicContact CB-CD1 3.77Å; L351-L356 HydrophobicContact CD1-CD1 3.84Å; L351-L356 HydrophobicContact CD2-CD1 4.14Å; L351-L356 HydrophobicContact CG-CD1 4.13Å; L351-L487 HydrophobicContact CD1-CB 3.52Å; L351-L487 HydrophobicContact CD1-CD1 4.36Å; L351-L487 HydrophobicContact CD2-CD1 3.99Å; L351-L487 HydrophobicContact CG-CB 4.17Å; L351-L487 HydrophobicContact CG-CD1 4.21Å; L351-L488 HydrophobicContact CD1-CD2 3.64Å; L351-L488 HydrophobicContact CD1-CG 3.75Å
352	D	90.6	Very high	87.6	Confident	48 Å²	48	50.3 Å²	50.3	26%	0.257	26%	0.263	S	S	.	.			trans	-81.9	111.2	167.3	-173.2	-61.8	0	0	0	110.4	S234 A354 L355 L356	S234-D352 WeakPolarHBondContact CB-OD2 3.46Å; S234-D352 PolarHBondContact OG-OD1 2.97Å; S234-D352 PolarHBondContact OG-OD2 2.79Å; D352-A354 VanDerWaalsContact C-N 3.27Å; D352-A354 PolarHBondContact O-N 2.97Å; D352-A354 WeakPolarHBondContact OD1-CA 3.46Å; D352-A354 WeakPolarHBondContact OD1-CB 3.33Å; D352-A354 PolarHBondContact OD1-N 2.82Å; D352-L355 HydrophobicContact CB-CB 4.06Å; D352-L355 HydrophobicContact CB-CD1 3.82Å; D352-L355 HydrophobicContact CB-CG 4.25Å; D352-L355 PolarHBondContact O-N 3.14Å; D352-L355 PolarHBondContact OD1-N 3.43Å; D352-L356 WeakPolarHBondContact O-CB 3.3Å; D352-L356 WeakPolarHBondContact O-CG 3.46Å; D352-L356 PolarHBondContact O-N 2.98Å
353	K	90	Very high	87.9	Confident	132 Å²	132	50.1 Å²	50.1	57%	0.574	26%	0.261	S	S	*	.	H	α-helix	trans	-65.6	-26.5	-176.5	-66.9	-178.3	-179.9	178.5	0	113.9	L351 R357	L351-K353 PolarHBondContact O-N 3.48Å; K353-R357 VanDerWaalsContact O-CG 3.25Å; K353-R357 WeakPolarHBondContact O-CG 3.4Å; K353-R357 PolarHBondContact O-N 2.76Å
354	A	91.7	Very high	88.4	Confident	20 Å²	20	49.9 Å²	49.9	17%	0.165	26%	0.26	C	S	.	.	H	α-helix	trans	-76.1	-47.5	178.1	0	0	0	0	0	110.3	P232 V235 D352 L356 R357 I358	P232-A354 HydrophobicContact CB-CB 3.74Å; P232-A354 HydrophobicContact CG-CB 3.67Å; V235-A354 HydrophobicContact CG2-CB 4.01Å; D352-A354 VanDerWaalsContact C-N 3.27Å; D352-A354 PolarHBondContact O-N 2.97Å; D352-A354 WeakPolarHBondContact OD1-CA 3.46Å; D352-A354 WeakPolarHBondContact OD1-CB 3.33Å; D352-A354 PolarHBondContact OD1-N 2.82Å; A354-L356 PolarHBondContact O-N 3.36Å; A354-R357 PolarHBondContact O-N 2.84Å; A354-I358 WeakPolarHBondContact O-CG1 3.4Å; A354-I358 PolarHBondContact O-N 3.22Å; A354-I358 VanDerWaalsContact O-N 3.09Å
355	L	94.5	Very high	89.2	Confident	8 Å²	8	49.5 Å²	49.5	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-44.3	176.3	-73.1	166.6	0	0	0	111.3	V235 M338 A341 A342 D352 R357 I358 V359	V235-L355 HydrophobicContact CB-CD2 4.41Å; V235-L355 HydrophobicContact CG1-CD2 4.39Å; V235-L355 HydrophobicContact CG2-CD2 3.92Å; V235-L355 HydrophobicContact CG2-CG 4.09Å; M338-L355 HydrophobicContact SD-CD2 4.28Å; A341-L355 HydrophobicContact CB-CD1 3.91Å; A341-L355 HydrophobicContact CB-CD2 4.13Å; A341-L355 WeakPolarHBondContact O-CD1 3.44Å; A342-L355 HydrophobicContact CB-CB 3.92Å; D352-L355 HydrophobicContact CB-CB 4.06Å; D352-L355 HydrophobicContact CB-CD1 3.82Å; D352-L355 HydrophobicContact CB-CG 4.25Å; D352-L355 PolarHBondContact O-N 3.14Å; D352-L355 PolarHBondContact OD1-N 3.43Å; L355-R357 VanDerWaalsContact C-N 3.35Å; L355-R357 PolarHBondContact O-N 3.23Å; L355-I358 WeakPolarHBondContact O-CB 3.46Å; L355-I358 PolarHBondContact O-N 3.45Å; L355-I358 VanDerWaalsContact O-N 3.12Å; L355-V359 WeakPolarHBondContact O-CG2 3.46Å; L355-V359 PolarHBondContact O-N 3.33Å
356	L	94.3	Very high	90.1	Very high	10 Å²	10	45.7 Å²	45.7	5%	0.052	23%	0.234	C	C	.	.	H	α-helix	trans	-58.1	-43.9	174.5	-71.6	-176.3	0	0	0	112.5	A342 L351 D352 A354 I358 V359 F360 I484 L488	A342-L356 HydrophobicContact CB-CD2 4.3Å; L351-L356 HydrophobicContact CB-CD1 3.77Å; L351-L356 HydrophobicContact CD1-CD1 3.84Å; L351-L356 HydrophobicContact CD2-CD1 4.14Å; L351-L356 HydrophobicContact CG-CD1 4.13Å; D352-L356 WeakPolarHBondContact O-CB 3.3Å; D352-L356 WeakPolarHBondContact O-CG 3.46Å; D352-L356 PolarHBondContact O-N 2.98Å; A354-L356 PolarHBondContact O-N 3.36Å; L356-I358 VanDerWaalsContact C-N 3.27Å; L356-I358 PolarHBondContact O-N 3.13Å; L356-V359 PolarHBondContact O-N 2.82Å; L356-F360 HydrophobicContact CB-CD2 4.33Å; L356-F360 HydrophobicContact CD2-CD2 4.41Å; L356-F360 HydrophobicContact CD2-CE2 4.07Å; L356-F360 WeakPolarHBondContact O-CB 3.34Å; L356-F360 VanDerWaalsContact O-CD2 3.29Å; L356-F360 WeakPolarHBondContact O-CD2 3.33Å; L356-F360 PolarHBondContact O-N 3.2Å; L356-I484 HydrophobicContact CD2-CD1 4.11Å; L356-L488 HydrophobicContact CD1-CD1 4.42Å; L356-L488 HydrophobicContact CD1-CD2 4.28Å
357	R	93.7	Very high	91.3	Very high	146 Å²	146	39.2 Å²	39.2	55%	0.551	21%	0.206	S	C	*	.	H	α-helix	trans	-61.8	-36.8	177.1	-76.2	178.5	-149.1	-152.3	4.4	112.6	A131 K353 A354 L355 A361	A131-R357 HydrophobicContact CB-CB 4.33Å; K353-R357 VanDerWaalsContact O-CG 3.25Å; K353-R357 WeakPolarHBondContact O-CG 3.4Å; K353-R357 PolarHBondContact O-N 2.76Å; A354-R357 PolarHBondContact O-N 2.84Å; L355-R357 VanDerWaalsContact C-N 3.35Å; L355-R357 PolarHBondContact O-N 3.23Å; R357-A361 WeakPolarHBondContact O-CB 3.34Å; R357-A361 PolarHBondContact O-N 3.06Å
358	I	95.9	Very high	92.6	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.051	18%	0.18	C	C	.	.	H	α-helix	trans	-65.8	-52.5	177.6	-71.3	164.5	0	0	0	109.7	A131 C132 A135 V235 A354 L355 L356 A361	A131-I358 HydrophobicContact CB-CG1 4.23Å; C132-I358 WeakPolarHBondContact CB-O 3.17Å; A135-I358 HydrophobicContact CB-CD1 3.9Å; A135-I358 HydrophobicContact CB-CG1 4.07Å; A135-I358 HydrophobicContact CB-CG2 3.79Å; V235-I358 HydrophobicContact CB-CD1 4.38Å; V235-I358 HydrophobicContact CG1-CD1 3.87Å; V235-I358 HydrophobicContact CG2-CD1 3.57Å; A354-I358 WeakPolarHBondContact O-CG1 3.4Å; A354-I358 PolarHBondContact O-N 3.22Å; A354-I358 VanDerWaalsContact O-N 3.09Å; L355-I358 WeakPolarHBondContact O-CB 3.46Å; L355-I358 PolarHBondContact O-N 3.45Å; L355-I358 VanDerWaalsContact O-N 3.12Å; L356-I358 VanDerWaalsContact C-N 3.27Å; L356-I358 PolarHBondContact O-N 3.13Å; I358-A361 PolarHBondContact O-N 2.84Å; I358-A361 VanDerWaalsContact O-O 3.13Å
359	V	96.9	Very high	93.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-78.1	-22.5	-171.8	-56.1	0	0	0	0	114.1	M338 A342 L355 L356 G470 D471 I472	M338-V359 HydrophobicContact CB-CG1 4.29Å; M338-V359 WeakPolarHBondContact O-CG1 3.35Å; A342-V359 HydrophobicContact CB-CB 4.22Å; A342-V359 HydrophobicContact CB-CG1 3.7Å; A342-V359 HydrophobicContact CB-CG2 3.48Å; A342-V359 VanDerWaalsContact CB-CG2 3.48Å; L355-V359 WeakPolarHBondContact O-CG2 3.46Å; L355-V359 PolarHBondContact O-N 3.33Å; L356-V359 PolarHBondContact O-N 2.82Å; V359-G470 CarbonylContact O-C 3.56Å; V359-D471 PolarHBondContact O-N 2.89Å; V359-I472 HydrophobicContact CB-CG1 4.44Å; V359-I472 HydrophobicContact CB-CG2 3.67Å; V359-I472 HydrophobicContact CG2-CD1 3.89Å; V359-I472 HydrophobicContact CG2-CG1 4.07Å; V359-I472 HydrophobicContact CG2-CG2 4.03Å; V359-I472 WeakPolarHBondContact O-CG1 3.46Å; V359-I472 WeakPolarHBondContact O-CG2 3.33Å; V359-I472 PolarHBondContact O-N 3.03Å
360	F	96.5	Very high	94.8	Very high	41 Å²	41	28.8 Å²	28.8	18%	0.18	14%	0.141	C	C	.	.	H	α-helix	trans	-81.2	-26.9	173	-88.9	-80.3	0	0	0	113.4	L356 I472 R473 L481 I484 I496	L356-F360 HydrophobicContact CB-CD2 4.33Å; L356-F360 HydrophobicContact CD2-CD2 4.41Å; L356-F360 HydrophobicContact CD2-CE2 4.07Å; L356-F360 WeakPolarHBondContact O-CB 3.34Å; L356-F360 VanDerWaalsContact O-CD2 3.29Å; L356-F360 WeakPolarHBondContact O-CD2 3.33Å; L356-F360 PolarHBondContact O-N 3.2Å; F360-I472 HydrophobicContact CD1-CD1 4.41Å; F360-I472 HydrophobicContact CD1-CG1 4.17Å; F360-I472 HydrophobicContact CD2-CD1 4.03Å; F360-I472 HydrophobicContact CD2-CG1 4.35Å; F360-I472 HydrophobicContact CE1-CD1 4.12Å; F360-I472 HydrophobicContact CE1-CG1 4.24Å; F360-I472 HydrophobicContact CE2-CD1 3.72Å; F360-I472 HydrophobicContact CE2-CG1 4.43Å; F360-I472 HydrophobicContact CG-CD1 4.37Å; F360-I472 HydrophobicContact CG-CG1 4.22Å; F360-I472 HydrophobicContact CZ-CD1 3.75Å; F360-I472 HydrophobicContact CZ-CG1 4.36Å; F360-R473 HydrophobicContact CD1-CG 3.53Å; F360-R473 HydrophobicContact CE1-CG 3.48Å; F360-R473 VanDerWaalsContact CE1-CG 3.48Å; F360-L481 HydrophobicContact CZ-CD2 4.47Å; F360-I484 HydrophobicContact CE2-CD1 4.27Å; F360-I484 HydrophobicContact CE2-CG2 3.91Å; F360-I484 HydrophobicContact CZ-CD1 4.36Å; F360-I484 HydrophobicContact CZ-CG2 3.88Å; F360-I496 HydrophobicContact CE1-CD1 4.18Å; F360-I496 HydrophobicContact CE1-CG1 3.97Å; F360-I496 HydrophobicContact CZ-CD1 3.96Å; F360-I496 HydrophobicContact CZ-CG1 4.24Å
361	A	96.4	Very high	95.2	Very high	4 Å²	4	23 Å²	23	3%	0.033	11%	0.106	C	C	.	.	S	Bend	trans	-76.9	166.8	165.8	0	0	0	0	0	109.5	C132 R357 I358 G470 D471	C132-A361 HydrophobicContact CB-CB 3.85Å; R357-A361 WeakPolarHBondContact O-CB 3.34Å; R357-A361 PolarHBondContact O-N 3.06Å; I358-A361 PolarHBondContact O-N 2.84Å; I358-A361 VanDerWaalsContact O-O 3.13Å; A361-G470 WeakPolarHBondContact O-CA 3.32Å; A361-D471 PolarHBondContact O-N 2.85Å
362	G	97.8	Very high	95.1	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	159.9	178.2	0	0	0	0	0	112	H127 F469 D471	H127-G362 PolarHBondContact N-O 2.92Å; H127-G362 WeakPolarHBondContact NE2-CA 3.31Å; H127-G362 PolarHBondContact O-N 3.48Å; G362-F469 VanDerWaalsContact CA-O 3.26Å; G362-F469 WeakPolarHBondContact CA-O 3.2Å; G362-D471 WeakPolarHBondContact CA-OD2 3.36Å
363	C	98.4	Very high	94.7	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	156	165.7	67.6	0	0	0	0	111.1	V124 D125 C132 A133 V136 F469	V124-C363 HydrophobicContact CG1-CB 3.83Å; D125-C363 CarbonylContact O-C 3.51Å; D125-C363 WeakPolarHBondContact O-CA 3.39Å; D125-C363 WeakPolarHBondContact O-CB 3.23Å; C132-C363 HydrophobicContact CB-CB 4.34Å; C132-C363 PolarHBondContact SG-SG 3.41Å; A133-C363 HydrophobicContact CB-CB 3.79Å; V136-C363 WeakPolarHBondContact CG2-SG 3.31Å; C363-F469 PolarHBondContact N-O 2.66Å; C363-F469 VanDerWaalsContact N-O 3.15Å; C363-F469 PolarHBondContact O-N 3.14Å
364	V	98.7	Very high	94.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	157.3	172.6	-61.9	0	0	0	0	108.6	V124 D125 V382 D384 P465 A468	V124-V364 VanDerWaalsContact CA-O 3.26Å; V124-V364 WeakPolarHBondContact CA-O 3.38Å; V124-V364 VanDerWaalsContact CG1-O 3.3Å; V124-V364 WeakPolarHBondContact CG1-O 3.47Å; D125-V364 HydrophobicContact CB-CG2 3.65Å; D125-V364 PolarHBondContact N-O 2.97Å; D125-V364 PolarHBondContact O-N 2.9Å; V364-V382 CarbonylContact C-O 3.51Å; V364-V382 WeakPolarHBondContact CA-O 3.43Å; V364-V382 WeakPolarHBondContact CB-O 3.32Å; V364-D384 WeakPolarHBondContact CG2-OD1 3.49Å; V364-P465 HydrophobicContact CG1-CB 3.76Å; V364-P465 HydrophobicContact CG1-CG 3.75Å; V364-A468 HydrophobicContact CG1-CB 4.2Å
365	A	98.6	Very high	94.3	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.017	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	143.2	175	0	0	0	0	0	112.3	T122 V123 V124 V382 F469	T122-A365 HydrophobicContact CG2-CB 4.21Å; V123-A365 VanDerWaalsContact O-CA 3.23Å; V123-A365 WeakPolarHBondContact O-CA 3.42Å; V124-A365 HydrophobicContact CG2-CB 4.07Å; A365-V382 PolarHBondContact N-O 3.11Å; A365-V382 PolarHBondContact O-N 2.89Å; A365-F469 HydrophobicContact CB-CD2 4.49Å; A365-F469 HydrophobicContact CB-CE2 3.86Å
366	T	98.7	Very high	94.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	119.2	167.6	-62.2	0	0	0	0	108.4	T122 V123 Q381 C385 A387	T122-T366 WeakPolarHBondContact CA-O 3.44Å; V123-T366 PolarHBondContact N-O 2.81Å; V123-T366 PolarHBondContact O-N 3.3Å; T366-Q381 HydrophobicContact CG2-CB 4.45Å; T366-Q381 WeakPolarHBondContact OG1-CG 3.47Å; T366-Q381 PolarHBondContact OG1-OE1 3.05Å; T366-C385 VanDerWaalsContact OG1-C 3.3Å; T366-C385 WeakPolarHBondContact OG1-CB 3.13Å; T366-C385 PolarHBondContact OG1-O 3.01Å; T366-A387 HydrophobicContact CG2-CB 3.72Å
367	S	98.5	Very high	94.3	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.014	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.6	177.9	-57.7	0	0	0	0	110.4	F121 T122 A379 A380	F121-S367 CarbonylContact O-C 3.53Å; F121-S367 VanDerWaalsContact O-CA 3.23Å; F121-S367 WeakPolarHBondContact O-CA 3.37Å; T122-S367 VanDerWaalsContact CG2-OG 3.31Å; T122-S367 WeakPolarHBondContact CG2-OG 3.4Å; T122-S367 WeakPolarHBondContact OG1-CB 3.32Å; T122-S367 PolarHBondContact OG1-OG 3.06Å; S367-A379 CarbonylContact O-C 3.49Å; S367-A379 WeakPolarHBondContact O-CA 3.49Å; S367-A380 PolarHBondContact N-O 3.01Å; S367-A380 PolarHBondContact O-N 2.82Å
368	V	98.4	Very high	94.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	118.7	169.9	179.9	0	0	0	0	109.1	F121 I370 I377 F378 A379 A387 L526 L528	F121-V368 PolarHBondContact N-O 2.96Å; F121-V368 PolarHBondContact O-N 3.25Å; V368-I370 HydrophobicContact CG1-CG1 4.3Å; V368-I377 HydrophobicContact CG1-CB 4.11Å; V368-I377 HydrophobicContact CG1-CD1 4.49Å; V368-I377 HydrophobicContact CG1-CG2 4.48Å; V368-F378 CarbonylContact C-O 3.48Å; V368-F378 WeakPolarHBondContact CA-O 3.41Å; V368-A379 HydrophobicContact CG2-CB 4.29Å; V368-A387 HydrophobicContact CG2-CB 3.97Å; V368-L526 HydrophobicContact CG1-CD1 3.87Å; V368-L528 HydrophobicContact CB-CD1 4.45Å; V368-L528 HydrophobicContact CB-CD2 4.33Å; V368-L528 HydrophobicContact CG2-CD1 4.02Å; V368-L528 HydrophobicContact CG2-CD2 4Å; V368-L528 HydrophobicContact CG2-CG 4.12Å
369	Y	97.4	Very high	94.7	Very high	13 Å²	13	16.9 Å²	16.9	5%	0.051	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.5	172.9	172	-127.8	0	0	0	109.9	F93 G117 L148 T323 L327 P371 I377 F378	F93-Y369 HydrophobicContact CE1-CD2 4.37Å; F93-Y369 AromaticContact CE1-CE2 3.67Å; F93-Y369 HydrophobicContact CE1-CE2 3.67Å; F93-Y369 AromaticContact CZ-CE2 3.88Å; F93-Y369 HydrophobicContact CZ-CE2 3.88Å; G117-Y369 PolarHBondContact O-OH 2.89Å; L148-Y369 HydrophobicContact CD1-CD1 4.26Å; L148-Y369 HydrophobicContact CD1-CD2 4.44Å; L148-Y369 HydrophobicContact CD1-CE1 3.99Å; L148-Y369 HydrophobicContact CD1-CE2 4.21Å; L148-Y369 HydrophobicContact CD1-CG 4.47Å; L148-Y369 HydrophobicContact CD2-CE1 4.18Å; T323-Y369 HydrophobicContact CG2-CD1 4.12Å; T323-Y369 HydrophobicContact CG2-CE1 3.93Å; L327-Y369 HydrophobicContact CD1-CD1 4.47Å; Y369-P371 HydrophobicContact CD1-CG 4.13Å; Y369-P371 HydrophobicContact CE1-CB 4.17Å; Y369-P371 HydrophobicContact CE1-CG 3.66Å; Y369-I377 WeakPolarHBondContact O-CA 3.44Å; Y369-F378 HydrophobicContact CD1-CB 4.45Å; Y369-F378 HydrophobicContact CD1-CD2 4.02Å; Y369-F378 HydrophobicContact CD1-CG 4.49Å; Y369-F378 PolarHBondContact N-O 2.76Å; Y369-F378 PolarHBondContact O-N 2.92Å
370	I	94.1	Very high	94.8	Very high	12 Å²	12	16.9 Å²	16.9	6%	0.062	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	105.4	172.9	-49.3	-173.5	0	0	0	107.3	G118 T119 F121 V368 R374 I377 L526 V607 L609	G118-I370 CarbonylContact C-O 3.54Å; G118-I370 VanDerWaalsContact CA-O 3.24Å; G118-I370 WeakPolarHBondContact CA-O 3.24Å; T119-I370 PolarHBondContact N-O 3.08Å; T119-I370 PolarHBondContact O-N 2.77Å; F121-I370 HydrophobicContact CD2-CD1 4.31Å; F121-I370 HydrophobicContact CE2-CD1 3.93Å; F121-I370 HydrophobicContact CE2-CG1 4.48Å; V368-I370 HydrophobicContact CG1-CG1 4.3Å; I370-R374 HydrophobicContact CG2-CB 4.2Å; I370-R374 HydrophobicContact CG2-CG 4.17Å; I370-I377 HydrophobicContact CD1-CG2 4.47Å; I370-I377 HydrophobicContact CG1-CG2 4Å; I370-L526 HydrophobicContact CD1-CD1 4.08Å; I370-V607 HydrophobicContact CD1-CG1 4.32Å; I370-L609 HydrophobicContact CD1-CD2 3.91Å
371	P	91.2	Very high	94.9	Very high	2 Å²	2	15 Å²	15	1%	0.013	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	163.5	178	-20.7	30.7	0	0	0	112.7	Y369 H373 R374 E376 F378	Y369-P371 HydrophobicContact CD1-CG 4.13Å; Y369-P371 HydrophobicContact CE1-CB 4.17Å; Y369-P371 HydrophobicContact CE1-CG 3.66Å; P371-H373 VanDerWaalsContact C-N 3.32Å; P371-H373 WeakPolarHBondContact CB-CE1 3.21Å; P371-H373 VanDerWaalsContact CB-NE2 3.31Å; P371-H373 WeakPolarHBondContact CB-NE2 3.26Å; P371-H373 PolarHBondContact O-N 2.84Å; P371-R374 WeakPolarHBondContact O-CA 3.38Å; P371-R374 WeakPolarHBondContact O-CG 3.33Å; P371-R374 PolarHBondContact O-N 3.42Å; P371-E376 WeakPolarHBondContact CD-O 3.19Å; P371-E376 HydrophobicContact CG-CG 4.29Å; P371-F378 HydrophobicContact CG-CD2 4.12Å; P371-F378 HydrophobicContact CG-CE2 3.97Å
372	R	85.4	Confident	95	Very high	74 Å²	74	14.8 Å²	14.8	28%	0.279	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-36.2	-175.1	-174.3	175.7	-175.1	151.4	7.2	115.3	G94 G117 R374	G94-R372 PolarHBondContact O-NH1 3.08Å; G117-R372 WeakPolarHBondContact O-CB 3.44Å; G117-R372 PolarHBondContact O-N 2.83Å; R372-R374 VanDerWaalsContact C-N 3.27Å; R372-R374 WeakPolarHBondContact O-CG 3.3Å
373	H	82.5	Confident	95	Very high	69 Å²	69	14.8 Å²	14.8	32%	0.319	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-14.3	177	49.3	65.4	0	0	0	112.9	Y319 P371 K375 E376	Y319-H373 PolarHBondContact OH-NE2 3.19Å; P371-H373 VanDerWaalsContact C-N 3.32Å; P371-H373 WeakPolarHBondContact CB-CE1 3.21Å; P371-H373 VanDerWaalsContact CB-NE2 3.31Å; P371-H373 WeakPolarHBondContact CB-NE2 3.26Å; P371-H373 PolarHBondContact O-N 2.84Å; H373-K375 PolarHBondContact O-N 3.1Å; H373-E376 IonicContact CE1-OE1 3.64Å; H373-E376 PolarHBondContact CE1-OE1 2.89Å; H373-E376 IonicContact CE1-OE2 2.67Å; H373-E376 PolarHBondContact CE1-OE2 3.44Å; H373-E376 IonicContact ND1-OE1 3.01Å; H373-E376 IonicContact ND1-OE2 3.63Å; H373-E376 PolarHBondContact ND1-OE2 2.91Å; H373-E376 IonicContact NE2-OE1 2.68Å
374	R	85.5	Confident	94.9	Very high	42 Å²	42	15.5 Å²	15.5	16%	0.158	7%	0.067	C	C	.	.			trans	55	31.7	172.5	-45	-174.4	-175.2	97.3	7.3	115.1	E95 I370 P371 R372 P610	E95-R374 IonicContact OE1-NH2 3.8Å; I370-R374 HydrophobicContact CG2-CB 4.2Å; I370-R374 HydrophobicContact CG2-CG 4.17Å; P371-R374 WeakPolarHBondContact O-CA 3.38Å; P371-R374 WeakPolarHBondContact O-CG 3.33Å; P371-R374 PolarHBondContact O-N 3.42Å; R372-R374 VanDerWaalsContact C-N 3.27Å; R372-R374 WeakPolarHBondContact O-CG 3.3Å; R374-P610 HydrophobicContact CB-CG 3.9Å; R374-P610 HydrophobicContact CG-CG 4.24Å
375	K	86.8	Confident	94.9	Very high	75 Å²	75	15.5 Å²	15.5	33%	0.326	7%	0.067	S	C	.	.	S	Bend	trans	-95.2	-8.1	178.7	-71.5	173.3	173.4	-170.3	0	112.8	Y290 H373 L518	Y290-K375 HydrophobicContact CE1-CD 3.77Å; Y290-K375 HydrophobicContact CE1-CG 4.45Å; Y290-K375 HydrophobicContact CE2-CD 4.25Å; Y290-K375 WeakPolarHBondContact OH-CB 3.2Å; Y290-K375 WeakPolarHBondContact OH-CG 2.97Å; H373-K375 PolarHBondContact O-N 3.1Å; K375-L518 WeakPolarHBondContact O-CB 3.39Å; K375-L518 PolarHBondContact O-N 3.21Å
376	E	92.6	Very high	94.9	Very high	16 Å²	16	15.5 Å²	15.5	8%	0.075	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	171.9	-176.4	68.7	-93.8	-149.7	0	0	109.7	Y319 P371 H373 F378 K516	Y319-E376 WeakPolarHBondContact CE1-OE1 3.31Å; Y319-E376 PolarHBondContact OH-OE1 3.45Å; P371-E376 WeakPolarHBondContact CD-O 3.19Å; P371-E376 HydrophobicContact CG-CG 4.29Å; H373-E376 IonicContact CE1-OE1 3.64Å; H373-E376 PolarHBondContact CE1-OE1 2.89Å; H373-E376 IonicContact CE1-OE2 2.67Å; H373-E376 PolarHBondContact CE1-OE2 3.44Å; H373-E376 IonicContact ND1-OE1 3.01Å; H373-E376 IonicContact ND1-OE2 3.63Å; H373-E376 PolarHBondContact ND1-OE2 2.91Å; H373-E376 IonicContact NE2-OE1 2.68Å; E376-F378 HydrophobicContact CG-CE2 3.95Å; E376-K516 CarbonylContact C-O 3.5Å; E376-K516 VanDerWaalsContact CA-O 3.3Å; E376-K516 WeakPolarHBondContact CA-O 3.41Å; E376-K516 WeakPolarHBondContact CB-O 3.44Å
377	I	96.7	Very high	94.9	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.3	172.4	64.1	176.7	0	0	0	109.9	V368 Y369 I370 I389 L426 K516 L518 L526	V368-I377 HydrophobicContact CG1-CB 4.11Å; V368-I377 HydrophobicContact CG1-CD1 4.49Å; V368-I377 HydrophobicContact CG1-CG2 4.48Å; Y369-I377 WeakPolarHBondContact O-CA 3.44Å; I370-I377 HydrophobicContact CD1-CG2 4.47Å; I370-I377 HydrophobicContact CG1-CG2 4Å; I377-I389 HydrophobicContact CD1-CD1 4.38Å; I377-L426 HydrophobicContact CD1-CD1 3.8Å; I377-L426 HydrophobicContact CD1-CD2 4.43Å; I377-K516 HydrophobicContact CD1-CB 4.48Å; I377-K516 HydrophobicContact CD1-CD 4.44Å; I377-K516 HydrophobicContact CG1-CB 3.95Å; I377-K516 PolarHBondContact N-O 3.13Å; I377-K516 PolarHBondContact O-N 3.18Å; I377-L518 HydrophobicContact CD1-CD2 4.45Å; I377-L518 HydrophobicContact CG1-CD2 4.45Å; I377-L518 HydrophobicContact CG2-CD1 4.08Å; I377-L518 HydrophobicContact CG2-CD2 3.98Å; I377-L518 HydrophobicContact CG2-CG 4.17Å; I377-L526 HydrophobicContact CD1-CD1 4.35Å; I377-L526 HydrophobicContact CD1-CD2 3.74Å; I377-L526 HydrophobicContact CG2-CD1 4.38Å
378	F	98.4	Very high	94.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.7	167.8	-64.7	-103.2	0	0	0	108.7	Y319 V320 T323 L327 V368 Y369 P371 E376 L514 W515	Y319-F378 HydrophobicContact CE1-CE2 4.4Å; Y319-F378 HydrophobicContact CE1-CZ 4.07Å; V320-F378 HydrophobicContact CG1-CE1 3.96Å; T323-F378 HydrophobicContact CG2-CD1 3.92Å; T323-F378 HydrophobicContact CG2-CD2 3.87Å; T323-F378 HydrophobicContact CG2-CE1 3.64Å; T323-F378 HydrophobicContact CG2-CE2 3.61Å; T323-F378 HydrophobicContact CG2-CG 4.03Å; T323-F378 HydrophobicContact CG2-CZ 3.48Å; T323-F378 VanDerWaalsContact CG2-CZ 3.48Å; L327-F378 HydrophobicContact CD1-CB 3.37Å; L327-F378 HydrophobicContact CD1-CD1 4.18Å; L327-F378 HydrophobicContact CD1-CG 3.97Å; V368-F378 CarbonylContact C-O 3.48Å; V368-F378 WeakPolarHBondContact CA-O 3.41Å; Y369-F378 HydrophobicContact CD1-CB 4.45Å; Y369-F378 HydrophobicContact CD1-CD2 4.02Å; Y369-F378 HydrophobicContact CD1-CG 4.49Å; Y369-F378 PolarHBondContact N-O 2.76Å; Y369-F378 PolarHBondContact O-N 2.92Å; P371-F378 HydrophobicContact CG-CD2 4.12Å; P371-F378 HydrophobicContact CG-CE2 3.97Å; E376-F378 HydrophobicContact CG-CE2 3.95Å; F378-L514 CarbonylContact C-O 3.56Å; F378-L514 WeakPolarHBondContact CA-O 3.4Å; F378-W515 HydrophobicContact CD1-CB 3.97Å; F378-W515 HydrophobicContact CD1-CG 4.48Å; F378-W515 HydrophobicContact CE1-CB 3.86Å; F378-W515 AromaticContact CE1-CD1 3.59Å; F378-W515 HydrophobicContact CE1-CG 4.05Å; F378-W515 AromaticContact CE2-CD1 3.77Å; F378-W515 AromaticContact CZ-CD1 3.38Å; F378-W515 HydrophobicContact CZ-CG 4.25Å
379	A	98.6	Very high	94.8	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.008	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.8	171.3	0	0	0	0	0	109.3	S367 V368 L426 I427 V513 L514	S367-A379 CarbonylContact O-C 3.49Å; S367-A379 WeakPolarHBondContact O-CA 3.49Å; V368-A379 HydrophobicContact CG2-CB 4.29Å; A379-L426 HydrophobicContact CB-CB 4.22Å; A379-L426 HydrophobicContact CB-CD1 3.86Å; A379-I427 HydrophobicContact CB-CD1 4.07Å; A379-I427 WeakPolarHBondContact O-CD1 3.44Å; A379-V513 CarbonylContact O-C 3.59Å; A379-V513 VanDerWaalsContact O-CA 3.23Å; A379-V513 WeakPolarHBondContact O-CA 3.48Å; A379-L514 PolarHBondContact N-O 2.81Å; A379-L514 PolarHBondContact O-N 3.26Å
380	A	98.6	Very high	94.9	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.008	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	117.7	173.5	0	0	0	0	0	108.7	L327 L331 S367 P511 Q512 V513	L327-A380 HydrophobicContact CB-CB 4.3Å; L331-A380 HydrophobicContact CD1-CB 4.15Å; S367-A380 PolarHBondContact N-O 3.01Å; S367-A380 PolarHBondContact O-N 2.82Å; A380-P511 HydrophobicContact CB-CB 4.36Å; A380-Q512 WeakPolarHBondContact CA-O 3.16Å; A380-V513 HydrophobicContact CB-CG2 4.03Å
381	Q	98.7	Very high	94.9	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.1	-172.8	-177.2	160.7	-64.8	0	0	111.4	T366 C385 I427 P428 H430 P511 Q512	T366-Q381 HydrophobicContact CG2-CB 4.45Å; T366-Q381 WeakPolarHBondContact OG1-CG 3.47Å; T366-Q381 PolarHBondContact OG1-OE1 3.05Å; Q381-C385 PolarHBondContact NE2-O 3.05Å; Q381-C385 PolarHBondContact OE1-O 3.44Å; Q381-I427 HydrophobicContact CB-CB 4.22Å; Q381-I427 HydrophobicContact CB-CD1 3.91Å; Q381-I427 HydrophobicContact CB-CG2 4.08Å; Q381-I427 HydrophobicContact CG-CG2 4.41Å; Q381-I427 PolarHBondContact NE2-O 2.86Å; Q381-P428 PolarHBondContact NE2-O 3.16Å; Q381-H430 PolarHBondContact O-CE1 2.7Å; Q381-P511 CarbonylContact O-C 3.35Å; Q381-P511 WeakPolarHBondContact O-CA 3.21Å; Q381-Q512 PolarHBondContact N-O 3.2Å; Q381-Q512 PolarHBondContact O-N 3.35Å
382	V	98.7	Very high	95	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	113.4	168.2	-177.9	0	0	0	0	106.6	V364 A365 R467 F469 A509 P511	V364-V382 CarbonylContact C-O 3.51Å; V364-V382 WeakPolarHBondContact CA-O 3.43Å; V364-V382 WeakPolarHBondContact CB-O 3.32Å; A365-V382 PolarHBondContact N-O 3.11Å; A365-V382 PolarHBondContact O-N 2.89Å; V382-R467 HydrophobicContact CG1-CB 3.92Å; V382-F469 HydrophobicContact CB-CD2 4.45Å; V382-F469 HydrophobicContact CB-CE2 3.77Å; V382-F469 HydrophobicContact CB-CZ 3.97Å; V382-F469 HydrophobicContact CG1-CD2 4.34Å; V382-F469 HydrophobicContact CG1-CE2 4.1Å; V382-F469 HydrophobicContact CG1-CZ 4.31Å; V382-F469 HydrophobicContact CG2-CE1 4.22Å; V382-F469 HydrophobicContact CG2-CE2 3.84Å; V382-F469 HydrophobicContact CG2-CZ 3.5Å; V382-F469 VanDerWaalsContact CG2-CZ 3.5Å; V382-A509 WeakPolarHBondContact CG2-O 3.29Å; V382-P511 HydrophobicContact CG2-CB 3.62Å; V382-P511 HydrophobicContact CG2-CG 4.44Å
383	G	98.5	Very high	95	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	90.6	-145.7	-179.1	0	0	0	0	0	114.5	H430 R467	G383-H430 PolarHBondContact N-ND1 3.33Å; G383-H430 VanDerWaalsContact N-ND1 3.12Å; G383-H430 PolarHBondContact O-N 3.25Å; G383-H430 PolarHBondContact O-ND1 3.41Å; G383-R467 WeakPolarHBondContact CA-O 3.34Å; G383-R467 PolarHBondContact N-O 3.5Å
384	D	96.9	Very high	94.6	Very high	14 Å²	14	14.4 Å²	14.4	8%	0.075	8%	0.078	C	C	.	.	S	Bend	trans	-121.3	11.6	-161.2	53.5	-8	0	0	0	115.3	V364 P429 T431	V364-D384 WeakPolarHBondContact CG2-OD1 3.49Å; D384-P429 HydrophobicContact CB-CB 3.92Å; D384-T431 HydrophobicContact CB-CG2 3.59Å
385	C	98.3	Very high	94.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.091	C	C	.	.			trans	-56.6	166.1	151	-74.5	0	0	0	0	110.6	V123 T366 Q381	V123-C385 HydrophobicContact CG2-CB 4.09Å; T366-C385 VanDerWaalsContact OG1-C 3.3Å; T366-C385 WeakPolarHBondContact OG1-CB 3.13Å; T366-C385 PolarHBondContact OG1-O 3.01Å; Q381-C385 PolarHBondContact NE2-O 3.05Å; Q381-C385 PolarHBondContact OE1-O 3.44Å
386	G	97.9	Very high	93	Very high	2 Å²	2	18.7 Å²	18.7	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	148.8	-176.9	0	0	0	0	0	114.1	L528 G529 W534	G386-L528 WeakPolarHBondContact O-CA 3.27Å; G386-G529 PolarHBondContact N-O 3.38Å; G386-G529 PolarHBondContact O-N 3.25Å; G386-W534 PolarHBondContact O-NE1 2.92Å
387	A	98.7	Very high	91.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127	169.9	0	0	0	0	0	110.6	T366 V368 L426 I527 L528	T366-A387 HydrophobicContact CG2-CB 3.72Å; V368-A387 HydrophobicContact CG2-CB 3.97Å; A387-L426 HydrophobicContact CB-CD1 3.95Å; A387-L426 HydrophobicContact CB-CG 4.44Å; A387-L426 PolarHBondContact O-N 2.75Å; A387-I527 CarbonylContact C-O 3.56Å; A387-I527 VanDerWaalsContact CA-O 3.32Å; A387-I527 WeakPolarHBondContact CA-O 3.33Å; A387-L528 HydrophobicContact CB-CG 4.21Å
388	V	98.7	Very high	89.2	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.4	-179.4	176.6	0	0	0	0	109.1	A423 K424 L425 L526 I527 W534 P539 V543	V388-A423 HydrophobicContact CG1-CB 3.99Å; V388-K424 WeakPolarHBondContact CA-O 3.46Å; V388-L425 HydrophobicContact CG2-CD1 3.88Å; V388-L526 CarbonylContact O-C 3.38Å; V388-L526 WeakPolarHBondContact O-CA 3.5Å; V388-I527 PolarHBondContact N-O 3.29Å; V388-I527 PolarHBondContact O-N 2.95Å; V388-W534 HydrophobicContact CB-CH2 3.94Å; V388-W534 HydrophobicContact CG2-CH2 3.43Å; V388-W534 VanDerWaalsContact CG2-CH2 3.43Å; V388-W534 HydrophobicContact CG2-CZ2 3.93Å; V388-W534 HydrophobicContact CG2-CZ3 3.86Å; V388-P539 HydrophobicContact CG1-CB 4.19Å; V388-P539 HydrophobicContact CG2-CB 3.9Å; V388-P539 HydrophobicContact CG2-CG 4.24Å; V388-V543 HydrophobicContact CG1-CG2 3.85Å
389	I	97.7	Very high	86.7	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.9	168.9	-163.2	166.7	0	0	0	109.4	I377 K424 L426 K516 L518 D523 F525 L526 L609	I377-I389 HydrophobicContact CD1-CD1 4.38Å; I389-K424 HydrophobicContact CG2-CB 3.6Å; I389-K424 HydrophobicContact CG2-CD 4.3Å; I389-K424 HydrophobicContact CG2-CG 4.09Å; I389-K424 PolarHBondContact N-O 3.49Å; I389-K424 PolarHBondContact O-N 3.32Å; I389-L426 HydrophobicContact CB-CD2 4.39Å; I389-L426 HydrophobicContact CG2-CD2 4.12Å; I389-K516 HydrophobicContact CD1-CD 4.08Å; I389-L518 HydrophobicContact CD1-CD2 3.89Å; I389-D523 HydrophobicContact CD1-CB 3.71Å; I389-D523 VanDerWaalsContact CD1-CG 3.45Å; I389-D523 HydrophobicContact CG1-CB 4.27Å; I389-F525 WeakPolarHBondContact CA-O 3.2Å; I389-L526 HydrophobicContact CB-CD2 3.84Å; I389-L526 HydrophobicContact CD1-CD2 4.1Å; I389-L526 HydrophobicContact CG1-CD2 3.84Å; I389-L609 HydrophobicContact CD1-CD1 4.2Å; I389-L609 HydrophobicContact CG1-CD1 4.46Å
390	G	97.6	Very high	84.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	116.3	171.8	0	0	0	0	0	109.7	H524 F525	G390-H524 PolarHBondContact O-N 2.89Å; G390-F525 PolarHBondContact N-O 3.29Å; G390-F525 PolarHBondContact O-N 3.43Å
391	S	95.3	Very high	82	Confident	13 Å²	13	47.1 Å²	47.1	9%	0.091	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	138.6	-175.9	-53.2	0	0	0	0	110.6	W421 E422 C522 D523	S391-W421 WeakPolarHBondContact O-CA 3.38Å; S391-E422 PolarHBondContact N-O 2.93Å; S391-E422 PolarHBondContact O-N 2.8Å; S391-C522 CarbonylContact C-O 3.56Å; S391-C522 WeakPolarHBondContact CA-O 3.4Å; S391-D523 PolarHBondContact OG-OD1 2.8Å
392	Y	92	Very high	79.7	Confident	17 Å²	17	50.4 Å²	50.4	7%	0.067	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.2	172.4	-178.3	-103.7	0	0	0	109.4	P394 I408 T412 H420 W421 C522	Y392-P394 HydrophobicContact CD1-CG 4.43Å; Y392-P394 HydrophobicContact CE1-CB 3.78Å; Y392-P394 HydrophobicContact CE1-CG 3.93Å; Y392-I408 HydrophobicContact CD1-CD1 3.43Å; Y392-I408 VanDerWaalsContact CD1-CD1 3.43Å; Y392-I408 HydrophobicContact CD1-CG1 4.11Å; Y392-I408 HydrophobicContact CD1-CG2 4.12Å; Y392-I408 HydrophobicContact CD2-CG2 4.19Å; Y392-I408 HydrophobicContact CE1-CD1 4.07Å; Y392-I408 HydrophobicContact CE1-CG1 4.27Å; Y392-I408 HydrophobicContact CE1-CG2 4.09Å; Y392-I408 HydrophobicContact CE2-CG2 4.16Å; Y392-I408 HydrophobicContact CG-CD1 3.95Å; Y392-I408 HydrophobicContact CG-CG2 4.17Å; Y392-T412 HydrophobicContact CE2-CG2 4.36Å; Y392-T412 VanDerWaalsContact OH-CG2 3.31Å; Y392-T412 WeakPolarHBondContact OH-CG2 3.45Å; Y392-H420 CarbonylContact C-O 3.23Å; Y392-H420 WeakPolarHBondContact CA-O 3.47Å; Y392-H420 HydrophobicContact CD2-CB 4.02Å; Y392-H420 WeakPolarHBondContact CD2-O 3.16Å; Y392-H420 HydrophobicContact CE2-CB 3.54Å; Y392-W421 HydrophobicContact CD2-CD2 4.37Å; Y392-W421 AromaticContact CD2-CE2 3.84Å; Y392-W421 AromaticContact CD2-CZ2 3.92Å; Y392-W421 HydrophobicContact CD2-CZ2 3.92Å; Y392-C522 PolarHBondContact N-O 2.84Å
393	S	86.3	Confident	77.4	Confident	64 Å²	64	54.1 Å²	54.1	45%	0.448	33%	0.325	S	S	.	.			trans	-126	96.2	176.2	-178.2	0	0	0	0	108.9	H420	S393-H420 PolarHBondContact N-O 2.65Å; S393-H420 WeakPolarHBondContact O-CA 3.16Å
394	P	74.3	Confident	75.4	Confident	55 Å²	55	58.7 Å²	58.7	36%	0.357	36%	0.358	S	S	.	.			trans	-65.7	158.3	176.7	28	-32	0	0	0	110.9	Y392	Y392-P394 HydrophobicContact CD1-CG 4.43Å; Y392-P394 HydrophobicContact CE1-CB 3.78Å; Y392-P394 HydrophobicContact CE1-CG 3.93Å
395	P	74	Confident	73.7	Confident	66 Å²	66	62.2 Å²	62.2	43%	0.429	38%	0.383	S	S	.	.			trans	-64.4	142.8	175.1	24.7	-27.4	0	0	0	109.6	E397 V398 H420	P395-E397 PolarHBondContact O-N 2.9Å; P395-V398 HydrophobicContact CG-CG2 4.34Å; P395-V398 PolarHBondContact O-N 3.29Å; P395-H420 WeakPolarHBondContact CD-NE2 3.43Å
396	C	65.3	Low	72.2	Confident	142 Å²	142	65.2 Å²	65.2	96%	0.959	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-11.8	-174.1	-71.2	0	0	0	0	115.8
397	E	55.1	Low	71	Confident	184 Å²	184	67.2 Å²	67.2	86%	0.86	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	0.6	-173	-64.5	-172.7	173.7	0	0	114.9	P395 P399	P395-E397 PolarHBondContact O-N 2.9Å; E397-P399 WeakPolarHBondContact O-CD 3.22Å
398	V	53.8	Low	70	Confident	75 Å²	75	67.4 Å²	67.4	46%	0.455	41%	0.41	S	S	.	.	S	Bend	trans	-82	112.6	173.1	-165.8	0	0	0	0	109.1	P395 V400	P395-V398 HydrophobicContact CG-CG2 4.34Å; P395-V398 PolarHBondContact O-N 3.29Å; V398-V400 PolarHBondContact O-N 3.13Å
399	P	46	Very low	69.2	Low	95 Å²	95	70 Å²	70	62%	0.617	42%	0.42	S	S	*	.			trans	-64.1	111.9	175	23.3	-28.1	0	0	0	108.8	E397 T401	E397-P399 WeakPolarHBondContact O-CD 3.22Å; P399-T401 PolarHBondContact O-N 2.88Å; P399-T401 PolarHBondContact O-OG1 3.33Å
400	V	51.1	Low	68.4	Low	136 Å²	136	73.4 Å²	73.4	82%	0.824	44%	0.441	S	S	*	.			trans	-68.2	69.8	171.9	-171.3	0	0	0	0	108.8	V398	V398-V400 PolarHBondContact O-N 3.13Å
401	T	46.2	Very low	67.3	Low	125 Å²	125	76.6 Å²	76.6	77%	0.767	46%	0.456	S	S	*	.			trans	-108.8	3.3	164.1	33.2	0	0	0	0	111.2	P399	P399-T401 PolarHBondContact O-N 2.88Å; P399-T401 PolarHBondContact O-OG1 3.33Å
402	I	50.5	Low	66.7	Low	70 Å²	70	77.1 Å²	77.1	36%	0.359	46%	0.459	S	S	.	.	S	Bend	trans	-77.3	130.8	173.7	-52.8	179.8	0	0	0	108	S404 I406 Q411	I402-S404 PolarHBondContact O-N 2.83Å; I402-I406 HydrophobicContact CG2-CB 4.07Å; I402-I406 HydrophobicContact CG2-CD1 3.69Å; I402-I406 HydrophobicContact CG2-CG1 4.15Å; I402-Q411 HydrophobicContact CG2-CG 4.48Å
403	P	52.2	Low	66.3	Low	78 Å²	78	81.7 Å²	81.7	51%	0.506	49%	0.493	S	S	.	.			trans	-53.7	135.9	176.3	-23.5	32.4	0	0	0	110.7	S405 I406	P403-S405 WeakPolarHBondContact CB-OG 3.48Å; P403-S405 PolarHBondContact O-N 2.86Å; P403-I406 PolarHBondContact O-N 2.66Å; P403-I406 VanDerWaalsContact O-N 3.11Å
404	S	56.6	Low	66.3	Low	97 Å²	97	79.8 Å²	79.8	68%	0.678	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-5.4	174.5	52.8	0	0	0	0	114.4	I402	I402-S404 PolarHBondContact O-N 2.83Å
405	S	61.2	Low	67.1	Low	88 Å²	88	83.8 Å²	83.8	62%	0.615	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.1	177.5	64.2	0	0	0	0	114.7	P403 C614	P403-S405 WeakPolarHBondContact CB-OG 3.48Å; P403-S405 PolarHBondContact O-N 2.86Å; S405-C614 WeakPolarHBondContact O-CB 3.41Å
406	I	65.6	Low	67.9	Low	63 Å²	63	82.7 Å²	82.7	32%	0.323	49%	0.485	S	S	.	.	S	Bend	trans	-92.4	125.3	179.3	-58	-168.9	0	0	0	108.9	I402 P403 T410 Q411 C614	I402-I406 HydrophobicContact CG2-CB 4.07Å; I402-I406 HydrophobicContact CG2-CD1 3.69Å; I402-I406 HydrophobicContact CG2-CG1 4.15Å; P403-I406 PolarHBondContact O-N 2.66Å; P403-I406 VanDerWaalsContact O-N 3.11Å; I406-T410 WeakPolarHBondContact CG2-OG1 3.36Å; I406-Q411 HydrophobicContact CB-CG 4.28Å; I406-Q411 HydrophobicContact CG2-CG 3.81Å; I406-Q411 PolarHBondContact O-NE2 2.95Å; I406-C614 PolarHBondContact O-SG 3.22Å
407	D	73	Confident	69.3	Low	44 Å²	44	77.8 Å²	77.8	24%	0.235	45%	0.451	C	S	.	.			trans	-69.2	155.8	-179.5	67.7	90.6	0	0	0	112.3	Y409 T410 Q411 C614	D407-Y409 PolarHBondContact O-N 3.42Å; D407-Y409 WeakPolarHBondContact OD1-CA 3.46Å; D407-Y409 VanDerWaalsContact OD1-CB 3.25Å; D407-Y409 WeakPolarHBondContact OD1-CB 3.28Å; D407-Y409 PolarHBondContact OD1-N 3.37Å; D407-Y409 VanDerWaalsContact OD1-N 3.08Å; D407-T410 PolarHBondContact N-OG1 3.25Å; D407-T410 PolarHBondContact O-N 2.86Å; D407-T410 VanDerWaalsContact O-N 3.14Å; D407-T410 PolarHBondContact O-OG1 3.17Å; D407-T410 PolarHBondContact OD1-N 3.26Å; D407-T410 PolarHBondContact OD1-OG1 3.04Å; D407-T410 VanDerWaalsContact OD2-CG2 3.22Å; D407-T410 WeakPolarHBondContact OD2-CG2 3.43Å; D407-T410 PolarHBondContact OD2-OG1 3.5Å; D407-Q411 WeakPolarHBondContact O-CG 3.42Å; D407-Q411 PolarHBondContact O-N 2.81Å; D407-C614 WeakPolarHBondContact CA-SG 3.27Å; D407-C614 HydrophobicContact CB-CB 3.86Å; D407-C614 PolarHBondContact N-SG 2.85Å
408	I	77.1	Confident	71	Confident	4 Å²	4	74.2 Å²	74.2	2%	0.021	43%	0.432	C	S	.	.	H	α-helix	trans	-64.6	-30.5	-175	-81	165.5	0	0	0	112.9	Y392 T410 Q411 T412 L521 H524 W550	Y392-I408 HydrophobicContact CD1-CD1 3.43Å; Y392-I408 VanDerWaalsContact CD1-CD1 3.43Å; Y392-I408 HydrophobicContact CD1-CG1 4.11Å; Y392-I408 HydrophobicContact CD1-CG2 4.12Å; Y392-I408 HydrophobicContact CD2-CG2 4.19Å; Y392-I408 HydrophobicContact CE1-CD1 4.07Å; Y392-I408 HydrophobicContact CE1-CG1 4.27Å; Y392-I408 HydrophobicContact CE1-CG2 4.09Å; Y392-I408 HydrophobicContact CE2-CG2 4.16Å; Y392-I408 HydrophobicContact CG-CD1 3.95Å; Y392-I408 HydrophobicContact CG-CG2 4.17Å; I408-T410 VanDerWaalsContact C-N 3.3Å; I408-T410 PolarHBondContact O-N 3.21Å; I408-Q411 PolarHBondContact O-N 2.91Å; I408-T412 HydrophobicContact CG2-CG2 4.26Å; I408-T412 WeakPolarHBondContact O-CG2 3.48Å; I408-T412 PolarHBondContact O-N 3.49Å; I408-T412 PolarHBondContact O-OG1 3.35Å; I408-L521 HydrophobicContact CD1-CB 4.29Å; I408-L521 WeakPolarHBondContact CD1-O 3.23Å; I408-H524 WeakPolarHBondContact CD1-CE1 3.2Å; I408-H524 VanDerWaalsContact CD1-NE2 3.3Å; I408-H524 WeakPolarHBondContact CD1-NE2 3.19Å; I408-W550 HydrophobicContact CB-CH2 3.98Å; I408-W550 HydrophobicContact CB-CZ3 4.47Å; I408-W550 HydrophobicContact CG2-CH2 4.15Å; I408-W550 HydrophobicContact CG2-CZ3 4.13Å
409	Y	81.7	Confident	72.9	Confident	53 Å²	53	77.7 Å²	77.7	21%	0.208	44%	0.444	C	S	.	.	H	α-helix	trans	-65	-40.6	178	177.2	-90.9	0	0	0	110.1	D407 T412 S413 G414 Y551 K554	D407-Y409 PolarHBondContact O-N 3.42Å; D407-Y409 WeakPolarHBondContact OD1-CA 3.46Å; D407-Y409 VanDerWaalsContact OD1-CB 3.25Å; D407-Y409 WeakPolarHBondContact OD1-CB 3.28Å; D407-Y409 PolarHBondContact OD1-N 3.37Å; D407-Y409 VanDerWaalsContact OD1-N 3.08Å; Y409-T412 PolarHBondContact O-OG1 3.23Å; Y409-S413 PolarHBondContact O-N 3.27Å; Y409-G414 PolarHBondContact O-N 3.05Å; Y409-Y551 AromaticContact CD2-CD1 3.72Å; Y409-Y551 HydrophobicContact CD2-CD1 3.72Å; Y409-Y551 HydrophobicContact CD2-CE1 4.11Å; Y409-Y551 HydrophobicContact CE2-CD1 4.02Å; Y409-Y551 WeakPolarHBondContact CE2-O 3.32Å; Y409-K554 HydrophobicContact CD1-CB 4.48Å; Y409-K554 HydrophobicContact CE1-CB 3.87Å; Y409-K554 HydrophobicContact CE1-CG 4.42Å; Y409-K554 VanDerWaalsContact CE2-CA 3.49Å; Y409-K554 HydrophobicContact CE2-CB 4.18Å; Y409-K554 HydrophobicContact CE2-CG 4.49Å; Y409-K554 WeakPolarHBondContact OH-CG 3.49Å
410	T	80.6	Confident	75.1	Confident	72 Å²	72	75.1 Å²	75.1	44%	0.442	42%	0.423	S	S	.	.	H	α-helix	trans	-72.6	-37.3	173.5	53.5	0	0	0	0	112.7	I406 D407 I408 T412 S413	I406-T410 WeakPolarHBondContact CG2-OG1 3.36Å; D407-T410 PolarHBondContact N-OG1 3.25Å; D407-T410 PolarHBondContact O-N 2.86Å; D407-T410 VanDerWaalsContact O-N 3.14Å; D407-T410 PolarHBondContact O-OG1 3.17Å; D407-T410 PolarHBondContact OD1-N 3.26Å; D407-T410 PolarHBondContact OD1-OG1 3.04Å; D407-T410 VanDerWaalsContact OD2-CG2 3.22Å; D407-T410 WeakPolarHBondContact OD2-CG2 3.43Å; D407-T410 PolarHBondContact OD2-OG1 3.5Å; I408-T410 VanDerWaalsContact C-N 3.3Å; I408-T410 PolarHBondContact O-N 3.21Å; T410-T412 VanDerWaalsContact C-N 3.31Å; T410-T412 PolarHBondContact O-N 3.2Å; T410-S413 PolarHBondContact O-N 3.19Å; T410-S413 VanDerWaalsContact O-N 3.13Å
411	Q	76.6	Confident	77.2	Confident	68 Å²	68	69.3 Å²	69.3	32%	0.318	39%	0.387	S	S	.	.	H	α-helix	trans	-59.9	-39	175.1	-68.3	-178.8	27.8	0	0	112.8	I402 I406 D407 I408 S413	I402-Q411 HydrophobicContact CG2-CG 4.48Å; I406-Q411 HydrophobicContact CB-CG 4.28Å; I406-Q411 HydrophobicContact CG2-CG 3.81Å; I406-Q411 PolarHBondContact O-NE2 2.95Å; D407-Q411 WeakPolarHBondContact O-CG 3.42Å; D407-Q411 PolarHBondContact O-N 2.81Å; I408-Q411 PolarHBondContact O-N 2.91Å; Q411-S413 VanDerWaalsContact C-N 3.3Å
412	T	82	Confident	79.6	Confident	24 Å²	24	68.8 Å²	68.8	15%	0.147	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	8	178.7	59.2	0	0	0	0	113.3	Y392 I408 Y409 T410 G414 E415 Y551	Y392-T412 HydrophobicContact CE2-CG2 4.36Å; Y392-T412 VanDerWaalsContact OH-CG2 3.31Å; Y392-T412 WeakPolarHBondContact OH-CG2 3.45Å; I408-T412 HydrophobicContact CG2-CG2 4.26Å; I408-T412 WeakPolarHBondContact O-CG2 3.48Å; I408-T412 PolarHBondContact O-N 3.49Å; I408-T412 PolarHBondContact O-OG1 3.35Å; Y409-T412 PolarHBondContact O-OG1 3.23Å; T410-T412 VanDerWaalsContact C-N 3.31Å; T410-T412 PolarHBondContact O-N 3.2Å; T412-G414 PolarHBondContact O-N 3.41Å; T412-G414 VanDerWaalsContact O-N 3.09Å; T412-E415 WeakPolarHBondContact O-CB 3.46Å; T412-E415 PolarHBondContact O-N 3.26Å; T412-Y551 WeakPolarHBondContact CG2-OH 3.3Å; T412-Y551 VanDerWaalsContact OG1-CE1 3.27Å; T412-Y551 WeakPolarHBondContact OG1-CE1 3.4Å; T412-Y551 PolarHBondContact OG1-OH 3.07Å; T412-Y551 VanDerWaalsContact OG1-OH 3.1Å
413	S	83.9	Confident	81.8	Confident	113 Å²	113	66.8 Å²	66.8	79%	0.79	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	26.8	-173.6	-56.4	0	0	0	0	113.7	Y409 T410 Q411 E415	Y409-S413 PolarHBondContact O-N 3.27Å; T410-S413 PolarHBondContact O-N 3.19Å; T410-S413 VanDerWaalsContact O-N 3.13Å; Q411-S413 VanDerWaalsContact C-N 3.3Å; S413-E415 VanDerWaalsContact C-N 3.32Å
414	G	85.9	Confident	84	Confident	23 Å²	23	68.1 Å²	68.1	24%	0.237	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	12.1	-176.6	0	0	0	0	0	115.1	Y409 T412	Y409-G414 PolarHBondContact O-N 3.05Å; T412-G414 PolarHBondContact O-N 3.41Å; T412-G414 VanDerWaalsContact O-N 3.09Å
415	E	89.9	Confident	85.9	Confident	139 Å²	139	66.8 Å²	66.8	65%	0.65	35%	0.352	S	S	*	.			trans	-88.9	121.4	178.3	-168	172.7	-177.2	0	0	111.7	T412 S413 Y551	T412-E415 WeakPolarHBondContact O-CB 3.46Å; T412-E415 PolarHBondContact O-N 3.26Å; S413-E415 VanDerWaalsContact C-N 3.32Å; E415-Y551 VanDerWaalsContact O-CE1 3.32Å; E415-Y551 WeakPolarHBondContact O-CE1 3.29Å
416	Y	92.5	Very high	87.7	Confident	43 Å²	43	63.1 Å²	63.1	17%	0.169	33%	0.326	C	S	.	.			trans	-85	123.9	173.2	167.9	-100.2	0	0	0	110.6	K418 W421 H544 A547 Y551	Y416-K418 HydrophobicContact CE1-CB 4.31Å; Y416-W421 AromaticContact CD2-NE1 3.82Å; Y416-W421 AromaticContact CE2-CD1 3.61Å; Y416-W421 HydrophobicContact CE2-CG 4.44Å; Y416-W421 AromaticContact CE2-NE1 3.77Å; Y416-H544 WeakPolarHBondContact OH-CB 3.39Å; Y416-H544 PolarHBondContact OH-CD2 3.18Å; Y416-H544 VanDerWaalsContact OH-CD2 3.3Å; Y416-A547 HydrophobicContact CD2-CB 4.42Å; Y416-A547 HydrophobicContact CE2-CB 3.81Å; Y416-Y551 AromaticContact CD2-CD2 3.63Å; Y416-Y551 HydrophobicContact CD2-CD2 3.63Å; Y416-Y551 AromaticContact CD2-CE2 3.85Å; Y416-Y551 HydrophobicContact CD2-CE2 3.85Å; Y416-Y551 HydrophobicContact CD2-CG 4.46Å; Y416-Y551 HydrophobicContact CG-CD2 4.15Å
417	T	93.1	Very high	89.2	Confident	40 Å²	40	60.1 Å²	60.1	25%	0.245	31%	0.31	C	S	.	.			trans	-119.6	124.3	171.8	-49.1	0	0	0	0	109.3	E419 H420 W421	T417-E419 VanDerWaalsContact C-N 3.34Å; T417-E419 VanDerWaalsContact CG2-OE2 3.24Å; T417-E419 WeakPolarHBondContact CG2-OE2 3.46Å; T417-E419 PolarHBondContact O-N 2.94Å; T417-H420 WeakPolarHBondContact CB-ND1 3.2Å; T417-H420 PolarHBondContact O-N 3.07Å; T417-W421 VanDerWaalsContact O-CD1 3.27Å
418	K	92.6	Very high	90.4	Very high	108 Å²	108	61 Å²	61	47%	0.47	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-62.4	-41.1	-173.3	-175.4	-175.3	178.4	-178.1	0	112.1	Y416 H420 W421 H544	Y416-K418 HydrophobicContact CE1-CB 4.31Å; K418-H420 PolarHBondContact O-N 3.37Å; K418-H420 VanDerWaalsContact O-N 3.16Å; K418-W421 PolarHBondContact O-N 3.33Å; K418-H544 WeakPolarHBondContact CE-CE1 3.35Å; K418-H544 VanDerWaalsContact CE-ND1 3.34Å; K418-H544 WeakPolarHBondContact CE-ND1 3.4Å; K418-H544 VanDerWaalsContact CG-CD2 3.49Å; K418-H544 WeakPolarHBondContact CG-CD2 3.39Å; K418-H544 VanDerWaalsContact CG-NE2 3.28Å; K418-H544 WeakPolarHBondContact CG-NE2 3.32Å; K418-H544 PolarHBondContact O-NE2 2.93Å
419	E	92.8	Very high	91.4	Very high	149 Å²	149	63.1 Å²	63.1	70%	0.696	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-68.2	-14.4	-174.1	-62.3	67.4	-146.8	0	0	113.1	T417 W421	T417-E419 VanDerWaalsContact C-N 3.34Å; T417-E419 VanDerWaalsContact CG2-OE2 3.24Å; T417-E419 WeakPolarHBondContact CG2-OE2 3.46Å; T417-E419 PolarHBondContact O-N 2.94Å; E419-W421 VanDerWaalsContact C-N 3.32Å
420	H	93.2	Very high	92.2	Very high	40 Å²	40	60.6 Å²	60.6	19%	0.185	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-89.1	3.6	177.8	-57.8	163.3	0	0	0	113.2	Y392 S393 P395 T417 K418	Y392-H420 CarbonylContact C-O 3.23Å; Y392-H420 WeakPolarHBondContact CA-O 3.47Å; Y392-H420 HydrophobicContact CD2-CB 4.02Å; Y392-H420 WeakPolarHBondContact CD2-O 3.16Å; Y392-H420 HydrophobicContact CE2-CB 3.54Å; S393-H420 PolarHBondContact N-O 2.65Å; S393-H420 WeakPolarHBondContact O-CA 3.16Å; P395-H420 WeakPolarHBondContact CD-NE2 3.43Å; T417-H420 WeakPolarHBondContact CB-ND1 3.2Å; T417-H420 PolarHBondContact O-N 3.07Å; K418-H420 PolarHBondContact O-N 3.37Å; K418-H420 VanDerWaalsContact O-N 3.16Å
421	W	95.1	Very high	93	Very high	15 Å²	15	58 Å²	58	6%	0.057	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.8	-178.7	-70.1	90.2	0	0	0	111	S391 Y392 Y416 T417 K418 E419 H524 F525 V543 A547 Y551	S391-W421 WeakPolarHBondContact O-CA 3.38Å; Y392-W421 HydrophobicContact CD2-CD2 4.37Å; Y392-W421 AromaticContact CD2-CE2 3.84Å; Y392-W421 AromaticContact CD2-CZ2 3.92Å; Y392-W421 HydrophobicContact CD2-CZ2 3.92Å; Y416-W421 AromaticContact CD2-NE1 3.82Å; Y416-W421 AromaticContact CE2-CD1 3.61Å; Y416-W421 HydrophobicContact CE2-CG 4.44Å; Y416-W421 AromaticContact CE2-NE1 3.77Å; T417-W421 VanDerWaalsContact O-CD1 3.27Å; K418-W421 PolarHBondContact O-N 3.33Å; E419-W421 VanDerWaalsContact C-N 3.32Å; W421-H524 HydrophobicContact CH2-CB 4.15Å; W421-H524 AromaticContact CH2-CG 3.81Å; W421-H524 HydrophobicContact CZ3-CB 3.97Å; W421-H524 AromaticContact CZ3-CG 3.97Å; W421-F525 HydrophobicContact CE3-CE1 4.07Å; W421-F525 HydrophobicContact CE3-CZ 4.3Å; W421-F525 HydrophobicContact CH2-CE1 4.16Å; W421-F525 HydrophobicContact CZ3-CD1 4.34Å; W421-F525 AromaticContact CZ3-CE1 3.53Å; W421-F525 HydrophobicContact CZ3-CE1 3.53Å; W421-F525 HydrophobicContact CZ3-CZ 4.2Å; W421-V543 HydrophobicContact CB-CG1 4.02Å; W421-V543 HydrophobicContact CE3-CG1 4.41Å; W421-A547 HydrophobicContact CD2-CB 3.45Å; W421-A547 VanDerWaalsContact CD2-CB 3.45Å; W421-A547 HydrophobicContact CE3-CB 3.79Å; W421-A547 HydrophobicContact CG-CB 3.83Å; W421-A547 HydrophobicContact CH2-CB 4.28Å; W421-A547 HydrophobicContact CZ2-CB 4Å; W421-A547 HydrophobicContact CZ3-CB 4.19Å; W421-Y551 AromaticContact CE2-CE2 3.99Å; W421-Y551 HydrophobicContact CZ2-CD2 4.48Å; W421-Y551 AromaticContact CZ2-CE2 3.66Å; W421-Y551 HydrophobicContact CZ2-CE2 3.66Å; W421-Y551 AromaticContact NE1-CE2 3.75Å
422	E	95.8	Very high	93.9	Very high	113 Å²	113	56.3 Å²	56.3	53%	0.528	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	139.6	177.6	-170.4	-177.5	173.2	0	0	110.3	S391	S391-E422 PolarHBondContact N-O 2.93Å; S391-E422 PolarHBondContact O-N 2.8Å
423	A	97.4	Very high	94.6	Very high	29 Å²	29	63.5 Å²	63.5	24%	0.24	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	119.1	171.4	0	0	0	0	0	110.2	V388 P539 A540 V543	V388-A423 HydrophobicContact CG1-CB 3.99Å; A423-P539 HydrophobicContact CB-CB 4.08Å; A423-P539 WeakPolarHBondContact CB-O 3.36Å; A423-A540 HydrophobicContact CB-CB 4.48Å; A423-V543 HydrophobicContact CB-CB 3.97Å; A423-V543 HydrophobicContact CB-CG2 3.49Å; A423-V543 VanDerWaalsContact CB-CG2 3.49Å
424	K	96.6	Very high	95.2	Very high	106 Å²	106	59.1 Å²	59.1	46%	0.461	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	108.7	174.8	175.4	175.5	-173.4	169.1	0	110.3	V388 I389 L426	V388-K424 WeakPolarHBondContact CA-O 3.46Å; I389-K424 HydrophobicContact CG2-CB 3.6Å; I389-K424 HydrophobicContact CG2-CD 4.3Å; I389-K424 HydrophobicContact CG2-CG 4.09Å; I389-K424 PolarHBondContact N-O 3.49Å; I389-K424 PolarHBondContact O-N 3.32Å; K424-L426 PolarHBondContact O-N 2.9Å
425	L	97.5	Very high	95.7	Very high	68 Å²	68	65.4 Å²	65.4	36%	0.356	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	127.3	169.7	-178.8	65.7	0	0	0	108.9	V388	V388-L425 HydrophobicContact CG2-CD1 3.88Å
426	L	98.1	Very high	96	Very high	12 Å²	12	60.3 Å²	60.3	6%	0.063	31%	0.307	C	S	.	.	S	Bend	trans	-75.3	-55.6	-176.6	-63.2	-177.2	0	0	0	111.3	I377 A379 A387 I389 K424 L514 K516 L526	I377-L426 HydrophobicContact CD1-CD1 3.8Å; I377-L426 HydrophobicContact CD1-CD2 4.43Å; A379-L426 HydrophobicContact CB-CB 4.22Å; A379-L426 HydrophobicContact CB-CD1 3.86Å; A387-L426 HydrophobicContact CB-CD1 3.95Å; A387-L426 HydrophobicContact CB-CG 4.44Å; A387-L426 PolarHBondContact O-N 2.75Å; I389-L426 HydrophobicContact CB-CD2 4.39Å; I389-L426 HydrophobicContact CG2-CD2 4.12Å; K424-L426 PolarHBondContact O-N 2.9Å; L426-L514 HydrophobicContact CB-CD2 4.2Å; L426-L514 WeakPolarHBondContact O-CD2 3.19Å; L426-K516 HydrophobicContact CD2-CD 3.98Å; L426-L526 HydrophobicContact CD1-CD2 4.31Å
427	I	98.4	Very high	96.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.299	C	S	.	.	S	Bend	trans	-128	125.1	-179.7	-62.2	175.1	0	0	0	108.8	A379 Q381 Q512 L514	A379-I427 HydrophobicContact CB-CD1 4.07Å; A379-I427 WeakPolarHBondContact O-CD1 3.44Å; Q381-I427 HydrophobicContact CB-CB 4.22Å; Q381-I427 HydrophobicContact CB-CD1 3.91Å; Q381-I427 HydrophobicContact CB-CG2 4.08Å; Q381-I427 HydrophobicContact CG-CG2 4.41Å; Q381-I427 PolarHBondContact NE2-O 2.86Å; I427-Q512 HydrophobicContact CD1-CB 4.38Å; I427-Q512 HydrophobicContact CD1-CG 4.22Å; I427-Q512 WeakPolarHBondContact CD1-O 3.35Å; I427-Q512 HydrophobicContact CG2-CB 4.21Å; I427-Q512 HydrophobicContact CG2-CG 4.16Å; I427-Q512 VanDerWaalsContact CG2-OE1 3.26Å; I427-L514 HydrophobicContact CD1-CB 4Å; I427-L514 HydrophobicContact CG1-CB 3.92Å; I427-L514 HydrophobicContact CG1-CD2 4.5Å
428	P	97.7	Very high	96.4	Very high	63 Å²	63	57.2 Å²	57.2	41%	0.409	29%	0.292	S	S	.	.			trans	-58.6	143.8	173.3	-23.7	34.3	0	0	0	112	Q381	Q381-P428 PolarHBondContact NE2-O 3.16Å
429	P	98.1	Very high	96.6	Very high	47 Å²	47	60.2 Å²	60.2	31%	0.305	30%	0.301	S	S	.	.			trans	-52.7	141.6	175.8	-28.2	36.1	0	0	0	112.4	D384 T431 N434	D384-P429 HydrophobicContact CB-CB 3.92Å; P429-T431 HydrophobicContact CB-CG2 3.91Å; P429-T431 PolarHBondContact O-N 3.48Å; P429-N434 WeakPolarHBondContact O-CB 3.5Å; P429-N434 PolarHBondContact O-ND2 2.86Å; P429-N434 VanDerWaalsContact O-ND2 3.08Å
430	H	98.3	Very high	96.7	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-83.2	68.7	174.5	-56.6	106	0	0	0	110.4	Q381 G383 D437 P465 L466 R467 Q512	Q381-H430 PolarHBondContact O-CE1 2.7Å; G383-H430 PolarHBondContact N-ND1 3.33Å; G383-H430 VanDerWaalsContact N-ND1 3.12Å; G383-H430 PolarHBondContact O-N 3.25Å; G383-H430 PolarHBondContact O-ND1 3.41Å; H430-D437 IonicContact CD2-OD1 3.02Å; H430-P465 CarbonylContact O-C 3.58Å; H430-P465 WeakPolarHBondContact O-CA 3.49Å; H430-L466 PolarHBondContact O-N 2.84Å; H430-R467 HydrophobicContact CB-CB 4.29Å; H430-R467 HydrophobicContact CB-CG 3.98Å; H430-R467 PolarHBondContact CD2-NE 3.16Å; H430-Q512 PolarHBondContact NE2-OE1 3.25Å
431	T	97.1	Very high	96.9	Very high	17 Å²	17	52.2 Å²	52.2	10%	0.104	26%	0.262	C	S	.	.	S	Bend	trans	-119.6	178.4	179.6	67.6	0	0	0	0	110.8	D384 P429 E433 N434 M464 L466	D384-T431 HydrophobicContact CB-CG2 3.59Å; P429-T431 HydrophobicContact CB-CG2 3.91Å; P429-T431 PolarHBondContact O-N 3.48Å; T431-E433 PolarHBondContact O-N 3.23Å; T431-E433 VanDerWaalsContact O-N 3.15Å; T431-E433 PolarHBondContact OG1-N 3.27Å; T431-N434 PolarHBondContact O-N 2.82Å; T431-M464 HydrophobicContact CG2-CG 4.47Å; T431-L466 WeakPolarHBondContact O-CD1 3.42Å
432	S	96.6	Very high	96.9	Very high	33 Å²	33	55.8 Å²	55.8	23%	0.231	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-13.3	174.7	60.7	0	0	0	0	114.6	V438 G457	S432-V438 WeakPolarHBondContact O-CG2 3.36Å; S432-G457 VanDerWaalsContact CB-O 3.29Å; S432-G457 WeakPolarHBondContact CB-O 3.14Å; S432-G457 VanDerWaalsContact OG-C 3.29Å; S432-G457 WeakPolarHBondContact OG-CA 3.28Å; S432-G457 PolarHBondContact OG-O 2.82Å
433	E	95.5	Very high	96.9	Very high	175 Å²	175	55.1 Å²	55.1	82%	0.818	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-16	175.3	-58.1	-174.7	166.3	0	0	112.4	T431 E435	T431-E433 PolarHBondContact O-N 3.23Å; T431-E433 VanDerWaalsContact O-N 3.15Å; T431-E433 PolarHBondContact OG1-N 3.27Å; E433-E435 PolarHBondContact O-N 2.79Å
434	N	96.5	Very high	96.7	Very high	21 Å²	21	57.5 Å²	57.5	11%	0.112	30%	0.301	C	S	.	.			trans	-88.1	95.5	175.8	-177.9	-15.4	0	0	0	110.4	P429 T431 A436 D437 V438	P429-N434 WeakPolarHBondContact O-CB 3.5Å; P429-N434 PolarHBondContact O-ND2 2.86Å; P429-N434 VanDerWaalsContact O-ND2 3.08Å; T431-N434 PolarHBondContact O-N 2.82Å; N434-A436 PolarHBondContact O-N 3.29Å; N434-A436 VanDerWaalsContact O-N 3.15Å; N434-A436 WeakPolarHBondContact OD1-CB 3.3Å; N434-A436 PolarHBondContact OD1-N 3.49Å; N434-D437 HydrophobicContact CB-CB 4.29Å; N434-D437 PolarHBondContact O-N 2.82Å; N434-D437 PolarHBondContact OD1-N 3.19Å; N434-V438 WeakPolarHBondContact O-CG2 3.21Å; N434-V438 PolarHBondContact O-N 3.41Å
435	E	96.7	Very high	96.8	Very high	155 Å²	155	53.2 Å²	53.2	72%	0.724	28%	0.283	S	S	*	.	H	α-helix	trans	-57.8	-29.8	-178	-64.5	-173	169.6	0	0	114	E433 R439	E433-E435 PolarHBondContact O-N 2.79Å; E435-R439 WeakPolarHBondContact O-CB 3.46Å; E435-R439 WeakPolarHBondContact O-CG 3.32Å; E435-R439 PolarHBondContact O-N 3.16Å; E435-R439 PolarHBondContact O-NE 3.49Å
436	A	96.3	Very high	96.7	Very high	33 Å²	33	52.5 Å²	52.5	27%	0.273	28%	0.282	S	S	.	.	H	α-helix	trans	-68.7	-44.2	176.7	0	0	0	0	0	110.9	F275 N434 R439 R440	F275-A436 HydrophobicContact CE1-CB 3.71Å; F275-A436 HydrophobicContact CZ-CB 4.12Å; N434-A436 PolarHBondContact O-N 3.29Å; N434-A436 VanDerWaalsContact O-N 3.15Å; N434-A436 WeakPolarHBondContact OD1-CB 3.3Å; N434-A436 PolarHBondContact OD1-N 3.49Å; A436-R439 PolarHBondContact O-N 2.81Å; A436-R440 PolarHBondContact O-N 2.83Å
437	D	96.6	Very high	96.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-72.5	-33.1	177.9	-149.7	61	0	0	0	112.5	F275 H430 N434 R439 R440 I441 L466 R467	F275-D437 HydrophobicContact CZ-CB 4.35Å; H430-D437 IonicContact CD2-OD1 3.02Å; N434-D437 HydrophobicContact CB-CB 4.29Å; N434-D437 PolarHBondContact O-N 2.82Å; N434-D437 PolarHBondContact OD1-N 3.19Å; D437-R439 VanDerWaalsContact C-N 3.33Å; D437-R439 PolarHBondContact O-N 2.91Å; D437-R440 WeakPolarHBondContact O-CB 3.48Å; D437-R440 PolarHBondContact O-N 2.95Å; D437-R440 IonicContact OD1-CZ 2.66Å; D437-R440 IonicContact OD1-NE 3.23Å; D437-R440 PolarHBondContact OD1-NE 2.8Å; D437-R440 IonicContact OD1-NH2 3.2Å; D437-R440 IonicContact OD2-CZ 2.82Å; D437-R440 IonicContact OD2-NE 3.46Å; D437-R440 IonicContact OD2-NH2 3.25Å; D437-R440 PolarHBondContact OD2-NH2 3.48Å; D437-I441 PolarHBondContact O-N 3.36Å; D437-L466 HydrophobicContact CB-CD1 4.29Å; D437-L466 WeakPolarHBondContact OD2-CB 3.35Å; D437-R467 IonicContact OD1-CZ 3.09Å; D437-R467 VanDerWaalsContact OD1-CZ 3.23Å; D437-R467 IonicContact OD1-NE 3.51Å; D437-R467 PolarHBondContact OD1-NE 3.48Å; D437-R467 IonicContact OD1-NH2 3.52Å; D437-R467 PolarHBondContact OD1-NH2 3.48Å; D437-R467 IonicContact OD2-NE 2.7Å
438	V	97.4	Very high	96.3	Very high	18 Å²	18	65 Å²	65	11%	0.109	35%	0.348	C	S	.	.	H	α-helix	trans	-62.1	-39.6	170.1	172.8	0	0	0	0	111.4	S432 N434 I441 K442 L466	S432-V438 WeakPolarHBondContact O-CG2 3.36Å; N434-V438 WeakPolarHBondContact O-CG2 3.21Å; N434-V438 PolarHBondContact O-N 3.41Å; V438-I441 VanDerWaalsContact O-CG2 3.26Å; V438-I441 WeakPolarHBondContact O-CG2 3.5Å; V438-K442 HydrophobicContact CG1-CD 3.97Å; V438-K442 WeakPolarHBondContact O-CB 3.38Å; V438-K442 VanDerWaalsContact O-CG 3.3Å; V438-K442 WeakPolarHBondContact O-CG 3.25Å; V438-K442 PolarHBondContact O-N 2.83Å; V438-L466 HydrophobicContact CG2-CD1 3.95Å
439	R	96.4	Very high	96.2	Very high	170 Å²	170	62.7 Å²	62.7	64%	0.642	33%	0.333	S	S	*	.	H	α-helix	trans	-65.4	-45.1	174.2	-80.9	-176.6	-69.6	141.5	-4.9	111.7	E435 A436 D437 I441 K442 S443	E435-R439 WeakPolarHBondContact O-CB 3.46Å; E435-R439 WeakPolarHBondContact O-CG 3.32Å; E435-R439 PolarHBondContact O-N 3.16Å; E435-R439 PolarHBondContact O-NE 3.49Å; A436-R439 PolarHBondContact O-N 2.81Å; D437-R439 VanDerWaalsContact C-N 3.33Å; D437-R439 PolarHBondContact O-N 2.91Å; R439-I441 PolarHBondContact O-N 2.98Å; R439-K442 PolarHBondContact O-N 3.18Å; R439-S443 PolarHBondContact O-N 3.45Å; R439-S443 PolarHBondContact O-OG 3.25Å
440	R	95.8	Very high	95.8	Very high	20 Å²	20	61.7 Å²	61.7	8%	0.075	33%	0.328	C	S	.	.	H	α-helix	trans	-54.9	-50.2	176.7	177.4	-155.9	57.7	77.3	-2.2	111.8	D273 F275 A436 D437 S443 S444 L466	D273-R440 HydrophobicContact CB-CG 4.49Å; F275-R440 HydrophobicContact CE2-CB 4.45Å; A436-R440 PolarHBondContact O-N 2.83Å; D437-R440 WeakPolarHBondContact O-CB 3.48Å; D437-R440 PolarHBondContact O-N 2.95Å; D437-R440 IonicContact OD1-CZ 2.66Å; D437-R440 IonicContact OD1-NE 3.23Å; D437-R440 PolarHBondContact OD1-NE 2.8Å; D437-R440 IonicContact OD1-NH2 3.2Å; D437-R440 IonicContact OD2-CZ 2.82Å; D437-R440 IonicContact OD2-NE 3.46Å; D437-R440 IonicContact OD2-NH2 3.25Å; D437-R440 PolarHBondContact OD2-NH2 3.48Å; R440-S443 PolarHBondContact O-N 3.49Å; R440-S443 PolarHBondContact O-OG 3.04Å; R440-S444 PolarHBondContact O-N 3.34Å; R440-S444 PolarHBondContact O-OG 3.4Å; R440-L466 PolarHBondContact NH2-O 3.12Å
441	I	96.1	Very high	95.3	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-66.5	-44.7	179.5	-169.7	176.7	0	0	0	110.8	D437 V438 R439 S443 S444 H445 L453 L459 Y506	D437-I441 PolarHBondContact O-N 3.36Å; V438-I441 VanDerWaalsContact O-CG2 3.26Å; V438-I441 WeakPolarHBondContact O-CG2 3.5Å; R439-I441 PolarHBondContact O-N 2.98Å; I441-S443 VanDerWaalsContact C-N 3.28Å; I441-S443 PolarHBondContact O-N 3.34Å; I441-S444 WeakPolarHBondContact O-CB 3.47Å; I441-S444 PolarHBondContact O-N 3.44Å; I441-H445 PolarHBondContact O-CD2 3.31Å; I441-H445 VanDerWaalsContact O-CD2 3.25Å; I441-L453 HydrophobicContact CG1-CD1 4.38Å; I441-L459 HydrophobicContact CD1-CD1 3.3Å; I441-Y506 WeakPolarHBondContact CD1-O 3.34Å
442	K	96.1	Very high	95.1	Very high	91 Å²	91	72.2 Å²	72.2	40%	0.396	38%	0.375	S	S	.	.	H	α-helix	trans	-59.2	-36.7	178.4	-78.2	177.8	175.8	-177.2	0	113.1	V438 R439 S444 A450 L453	V438-K442 HydrophobicContact CG1-CD 3.97Å; V438-K442 WeakPolarHBondContact O-CB 3.38Å; V438-K442 VanDerWaalsContact O-CG 3.3Å; V438-K442 WeakPolarHBondContact O-CG 3.25Å; V438-K442 PolarHBondContact O-N 2.83Å; R439-K442 PolarHBondContact O-N 3.18Å; K442-S444 VanDerWaalsContact C-N 3.26Å; K442-S444 PolarHBondContact O-N 3.49Å; K442-A450 WeakPolarHBondContact CE-O 3.1Å; K442-A450 HydrophobicContact CG-CB 4.29Å; K442-L453 HydrophobicContact CB-CD1 4.38Å; K442-L453 HydrophobicContact CG-CD1 3.87Å
443	S	95.1	Very high	95	Very high	99 Å²	99	70.7 Å²	70.7	69%	0.692	36%	0.364	S	S	*	.	H	α-helix	trans	-74.2	-15.9	177.1	62	0	0	0	0	113.9	R439 R440 I441	R439-S443 PolarHBondContact O-N 3.45Å; R439-S443 PolarHBondContact O-OG 3.25Å; R440-S443 PolarHBondContact O-N 3.49Å; R440-S443 PolarHBondContact O-OG 3.04Å; I441-S443 VanDerWaalsContact C-N 3.28Å; I441-S443 PolarHBondContact O-N 3.34Å
444	S	94.7	Very high	95	Very high	78 Å²	78	64.2 Å²	64.2	55%	0.545	34%	0.335	S	S	.	.	H	α-helix	trans	-87.3	-8.2	-179.7	-56	0	0	0	0	113.2	R440 I441 K442	R440-S444 PolarHBondContact O-N 3.34Å; R440-S444 PolarHBondContact O-OG 3.4Å; I441-S444 WeakPolarHBondContact O-CB 3.47Å; I441-S444 PolarHBondContact O-N 3.44Å; K442-S444 VanDerWaalsContact C-N 3.26Å; K442-S444 PolarHBondContact O-N 3.49Å
445	H	96.7	Very high	94.9	Very high	16 Å²	16	68 Å²	68	7%	0.074	35%	0.347	C	S	.	.	S	Bend	trans	-123.1	159.9	-177.7	-68	-79.5	0	0	0	111.8	I441 L453 S503 P505 Y506	I441-H445 PolarHBondContact O-CD2 3.31Å; I441-H445 VanDerWaalsContact O-CD2 3.25Å; H445-L453 HydrophobicContact CB-CD1 4.2Å; H445-L453 HydrophobicContact CB-CD2 4.38Å; H445-S503 PolarHBondContact CE1-O 3.01Å; H445-S503 PolarHBondContact ND1-O 3.47Å; H445-S503 VanDerWaalsContact ND1-O 3.11Å; H445-S503 PolarHBondContact ND1-OG 2.84Å; H445-P505 PolarHBondContact CE1-O 2.81Å; H445-P505 VanDerWaalsContact CE1-O 3.24Å; H445-P505 PolarHBondContact NE2-O 3.46Å; H445-Y506 AromaticContact CE1-CD1 3.29Å; H445-Y506 WeakPolarHBondContact CE1-CD1 3.48Å; H445-Y506 AromaticContact CE1-CE1 3.5Å; H445-Y506 VanDerWaalsContact CE1-CE1 3.5Å; H445-Y506 WeakPolarHBondContact CE1-CE1 3.21Å; H445-Y506 AromaticContact CE1-CG 3.66Å; H445-Y506 AromaticContact ND1-CD1 3.89Å; H445-Y506 AromaticContact ND1-CE1 3.63Å; H445-Y506 AromaticContact NE2-CD1 3.49Å; H445-Y506 WeakPolarHBondContact NE2-CD1 3.49Å; H445-Y506 AromaticContact NE2-CG 3.98Å
446	P	96.3	Very high	94.6	Very high	53 Å²	53	67.8 Å²	67.8	34%	0.344	35%	0.352	S	S	.	.			trans	-54.6	141.2	172.3	-25.4	35.3	0	0	0	112.3	H448 E449 S503	P446-H448 VanDerWaalsContact CB-CE1 3.41Å; P446-H448 WeakPolarHBondContact CB-CE1 3.44Å; P446-H448 PolarHBondContact O-N 2.92Å; P446-E449 WeakPolarHBondContact O-CB 3.23Å; P446-E449 PolarHBondContact O-N 2.83Å; P446-S503 WeakPolarHBondContact CD-OG 3.49Å
447	V	94.9	Very high	94.5	Very high	133 Å²	133	67.6 Å²	67.6	81%	0.806	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-52	-37.1	-175.4	177.3	0	0	0	0	113.2	E449 A450	V447-E449 PolarHBondContact O-N 3.47Å; V447-A450 VanDerWaalsContact O-CB 3.27Å; V447-A450 WeakPolarHBondContact O-CB 3.13Å; V447-A450 PolarHBondContact O-N 2.86Å
448	H	94	Very high	94.4	Very high	141 Å²	141	72.1 Å²	72.1	65%	0.653	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-72	-12.2	-178.4	68.6	-88.3	0	0	0	114.2	P446	P446-H448 VanDerWaalsContact CB-CE1 3.41Å; P446-H448 WeakPolarHBondContact CB-CE1 3.44Å; P446-H448 PolarHBondContact O-N 2.92Å
449	E	94.6	Very high	94.4	Very high	16 Å²	16	71.2 Å²	71.2	8%	0.075	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-89.1	-16.4	174	-64.3	-168.8	-149.7	0	0	112.7	P446 V447 E451 F452 L453 S503 Y506	P446-E449 WeakPolarHBondContact O-CB 3.23Å; P446-E449 PolarHBondContact O-N 2.83Å; V447-E449 PolarHBondContact O-N 3.47Å; E449-E451 PolarHBondContact O-N 3.39Å; E449-F452 PolarHBondContact O-N 2.92Å; E449-L453 PolarHBondContact O-N 2.86Å; E449-S503 WeakPolarHBondContact OE1-CB 3.3Å; E449-S503 PolarHBondContact OE1-OG 3.02Å; E449-S503 PolarHBondContact OE2-OG 3.25Å; E449-Y506 VanDerWaalsContact OE2-CE1 3.28Å; E449-Y506 WeakPolarHBondContact OE2-CE1 3.49Å; E449-Y506 VanDerWaalsContact OE2-CZ 3.3Å; E449-Y506 PolarHBondContact OE2-OH 3.07Å
450	A	90.9	Very high	94.4	Very high	25 Å²	25	63.8 Å²	63.8	21%	0.207	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.5	-170.2	0	0	0	0	0	114.4	K442 V447	K442-A450 WeakPolarHBondContact CE-O 3.1Å; K442-A450 HydrophobicContact CG-CB 4.29Å; V447-A450 VanDerWaalsContact O-CB 3.27Å; V447-A450 WeakPolarHBondContact O-CB 3.13Å; V447-A450 PolarHBondContact O-N 2.86Å
451	E	87.6	Confident	94.4	Very high	162 Å²	162	64.2 Å²	64.2	76%	0.757	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-23.9	176.7	-64.2	-173.4	169.2	0	0	113.4	E449	E449-E451 PolarHBondContact O-N 3.39Å
452	F	91.7	Very high	94.3	Very high	77 Å²	77	68.1 Å²	68.1	34%	0.338	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-13.6	-174.6	-50.5	-70.5	0	0	0	113.4	E449 I454 F500	E449-F452 PolarHBondContact O-N 2.92Å; F452-I454 VanDerWaalsContact C-N 3.3Å; F452-I454 PolarHBondContact O-N 3.02Å; F452-F500 HydrophobicContact CB-CB 4.5Å
453	L	95.5	Very high	94.3	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.005	35%	0.35	C	S	.	.	S	Bend	trans	-58.2	-41.8	179.4	-68.6	177.3	0	0	0	112.1	I441 K442 H445 E449 L459 L460 Y506	I441-L453 HydrophobicContact CG1-CD1 4.38Å; K442-L453 HydrophobicContact CB-CD1 4.38Å; K442-L453 HydrophobicContact CG-CD1 3.87Å; H445-L453 HydrophobicContact CB-CD1 4.2Å; H445-L453 HydrophobicContact CB-CD2 4.38Å; E449-L453 PolarHBondContact O-N 2.86Å; L453-L459 CarbonylContact O-C 3.56Å; L453-L459 WeakPolarHBondContact O-CA 3.29Å; L453-L460 PolarHBondContact O-N 3.43Å; L453-Y506 HydrophobicContact CD2-CD1 3.45Å; L453-Y506 VanDerWaalsContact CD2-CD1 3.45Å; L453-Y506 HydrophobicContact CD2-CE1 3.51Å
454	I	95.4	Very high	94.4	Very high	39 Å²	39	63.2 Å²	63.2	20%	0.2	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	116.1	179.2	-54	-62	0	0	0	108.9	F452 R458 L466	F452-I454 VanDerWaalsContact C-N 3.3Å; F452-I454 PolarHBondContact O-N 3.02Å; I454-R458 WeakPolarHBondContact CA-O 3.48Å; I454-L466 HydrophobicContact CD1-CD1 4.31Å; I454-L466 HydrophobicContact CD1-CD2 3.49Å; I454-L466 VanDerWaalsContact CD1-CD2 3.49Å
455	R	93.4	Very high	94.5	Very high	99 Å²	99	59.7 Å²	59.7	37%	0.374	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	133.4	178.9	-65.3	173.9	57.1	147.4	4.4	109.3	G457 R458 G461	R455-G457 PolarHBondContact O-N 3.33Å; R455-G457 VanDerWaalsContact O-N 3.09Å; R455-R458 PolarHBondContact N-O 3.03Å; R455-R458 PolarHBondContact O-N 2.87Å; R455-R458 VanDerWaalsContact O-O 3.12Å; R455-G461 WeakPolarHBondContact O-CA 3.4Å
456	D	91.5	Very high	94.6	Very high	152 Å²	152	59 Å²	59	81%	0.813	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	34.7	-178.4	-53.3	-46.4	0	0	0	113.1	R458	D456-R458 VanDerWaalsContact C-N 3.32Å; D456-R458 PolarHBondContact O-N 3.01Å
457	G	93.4	Very high	94.7	Very high	29 Å²	29	56.4 Å²	56.4	30%	0.299	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	10.8	-177.4	0	0	0	0	0	115.3	S432 R455	S432-G457 VanDerWaalsContact CB-O 3.29Å; S432-G457 WeakPolarHBondContact CB-O 3.14Å; S432-G457 VanDerWaalsContact OG-C 3.29Å; S432-G457 WeakPolarHBondContact OG-CA 3.28Å; S432-G457 PolarHBondContact OG-O 2.82Å; R455-G457 PolarHBondContact O-N 3.33Å; R455-G457 VanDerWaalsContact O-N 3.09Å
458	R	95.9	Very high	94.9	Very high	94 Å²	94	50.1 Å²	50.1	36%	0.355	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.5	-174.7	-69.8	175.2	174.1	-92.1	-8.3	112.7	I454 R455 D456 L460 G461 E462 L463	I454-R458 WeakPolarHBondContact CA-O 3.48Å; R455-R458 PolarHBondContact N-O 3.03Å; R455-R458 PolarHBondContact O-N 2.87Å; R455-R458 VanDerWaalsContact O-O 3.12Å; D456-R458 VanDerWaalsContact C-N 3.32Å; D456-R458 PolarHBondContact O-N 3.01Å; R458-L460 PolarHBondContact O-N 2.81Å; R458-G461 PolarHBondContact O-N 3.21Å; R458-G461 VanDerWaalsContact O-N 3.07Å; R458-E462 PolarHBondContact NH1-O 2.64Å; R458-E462 VanDerWaalsContact NH1-O 3.07Å; R458-L463 CarbonylContact C-O 3.58Å; R458-L463 VanDerWaalsContact CA-O 3.28Å; R458-L463 WeakPolarHBondContact CA-O 3.33Å; R458-L463 VanDerWaalsContact CB-O 3.3Å; R458-L463 WeakPolarHBondContact CB-O 3.4Å
459	L	97.1	Very high	95.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	120.1	170.9	178.9	63.4	0	0	0	110.2	I441 L453 G461 E462 L463 L466 F474 Y506 L507	I441-L459 HydrophobicContact CD1-CD1 3.3Å; L453-L459 CarbonylContact O-C 3.56Å; L453-L459 WeakPolarHBondContact O-CA 3.29Å; L459-G461 PolarHBondContact O-N 3.39Å; L459-E462 PolarHBondContact O-N 3.09Å; L459-L463 HydrophobicContact CB-CB 4.27Å; L459-L463 HydrophobicContact CD2-CD2 4.46Å; L459-L463 PolarHBondContact N-O 2.91Å; L459-L463 PolarHBondContact O-N 3.22Å; L459-L463 VanDerWaalsContact O-N 3.16Å; L459-L466 HydrophobicContact CB-CD2 3.93Å; L459-F474 HydrophobicContact CD2-CD1 4.12Å; L459-F474 HydrophobicContact CG-CD1 4.45Å; L459-Y506 WeakPolarHBondContact CD2-O 3.23Å; L459-L507 HydrophobicContact CD2-CB 4.09Å; L459-L507 HydrophobicContact CD2-CD1 3.86Å
460	L	96.2	Very high	95.3	Very high	14 Å²	14	42.8 Å²	42.8	7%	0.073	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	21.2	-174.2	-56.1	177.2	0	0	0	113.7	L453 R458 E462 F474 P498 Y501 Y506	L453-L460 PolarHBondContact O-N 3.43Å; R458-L460 PolarHBondContact O-N 2.81Å; L460-E462 VanDerWaalsContact C-N 3.3Å; L460-F474 HydrophobicContact CD1-CD1 4.17Å; L460-F474 HydrophobicContact CD1-CE1 4.42Å; L460-P498 HydrophobicContact CB-CB 4.13Å; L460-P498 HydrophobicContact CD1-CB 3.75Å; L460-P498 HydrophobicContact CD1-CG 3.92Å; L460-Y501 HydrophobicContact CD1-CD2 3.92Å; L460-Y506 HydrophobicContact CD1-CD1 4.1Å; L460-Y506 HydrophobicContact CD1-CD2 4.18Å; L460-Y506 HydrophobicContact CD1-CG 3.88Å; L460-Y506 HydrophobicContact CD2-CD1 3.98Å; L460-Y506 HydrophobicContact CD2-CE1 4.1Å; L460-Y506 HydrophobicContact CG-CD1 4.36Å
461	G	94.5	Very high	95.7	Very high	28 Å²	28	42 Å²	42	29%	0.289	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	4.2	-175.5	0	0	0	0	0	115.3	R455 R458 L459	R455-G461 WeakPolarHBondContact O-CA 3.4Å; R458-G461 PolarHBondContact O-N 3.21Å; R458-G461 VanDerWaalsContact O-N 3.07Å; L459-G461 PolarHBondContact O-N 3.39Å
462	E	95	Very high	96.1	Very high	84 Å²	84	34.2 Å²	34.2	39%	0.393	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-52.5	-172.5	-64.3	-171.3	-153.8	0	0	112.7	R458 L459 L460 F474	R458-E462 PolarHBondContact NH1-O 2.64Å; R458-E462 VanDerWaalsContact NH1-O 3.07Å; L459-E462 PolarHBondContact O-N 3.09Å; L460-E462 VanDerWaalsContact C-N 3.3Å; E462-F474 HydrophobicContact CB-CE1 4.35Å; E462-F474 HydrophobicContact CB-CZ 4.03Å
463	L	96.6	Very high	96.3	Very high	13 Å²	13	33.3 Å²	33.3	7%	0.068	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-102.4	135.2	-168.1	-174.2	64.7	0	0	0	112.2	H127 R458 L459 P465 F474 L507	H127-L463 WeakPolarHBondContact NE2-CD1 3.31Å; R458-L463 CarbonylContact C-O 3.58Å; R458-L463 VanDerWaalsContact CA-O 3.28Å; R458-L463 WeakPolarHBondContact CA-O 3.33Å; R458-L463 VanDerWaalsContact CB-O 3.3Å; R458-L463 WeakPolarHBondContact CB-O 3.4Å; L459-L463 HydrophobicContact CB-CB 4.27Å; L459-L463 HydrophobicContact CD2-CD2 4.46Å; L459-L463 PolarHBondContact N-O 2.91Å; L459-L463 PolarHBondContact O-N 3.22Å; L459-L463 VanDerWaalsContact O-N 3.16Å; L463-P465 HydrophobicContact CD1-CG 3.97Å; L463-P465 HydrophobicContact CD2-CG 4.31Å; L463-P465 HydrophobicContact CG-CG 3.92Å; L463-F474 HydrophobicContact CB-CE1 4.18Å; L463-F474 HydrophobicContact CB-CE2 4.4Å; L463-F474 HydrophobicContact CB-CZ 3.93Å; L463-F474 HydrophobicContact CD2-CD2 4.33Å; L463-F474 HydrophobicContact CD2-CE2 4.29Å; L463-L507 HydrophobicContact CD2-CD1 3.89Å; L463-L507 HydrophobicContact CD2-CD2 3.61Å; L463-L507 HydrophobicContact CD2-CG 4.37Å
464	M	96.3	Very high	96.5	Very high	73 Å²	73	33.5 Å²	33.5	36%	0.36	17%	0.17	S	C	.	.	S	Bend	trans	-72.1	-54.8	178.6	-174.8	68.6	86.5	0	0	112.2	T431	T431-M464 HydrophobicContact CG2-CG 4.47Å
465	P	98	Very high	96.6	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.032	17%	0.165	C	C	.	.			trans	-72.7	144.5	178.5	29.3	-37.9	0	0	0	112.2	V364 H430 L463 R467 A468	V364-P465 HydrophobicContact CG1-CB 3.76Å; V364-P465 HydrophobicContact CG1-CG 3.75Å; H430-P465 CarbonylContact O-C 3.58Å; H430-P465 WeakPolarHBondContact O-CA 3.49Å; L463-P465 HydrophobicContact CD1-CG 3.97Å; L463-P465 HydrophobicContact CD2-CG 4.31Å; L463-P465 HydrophobicContact CG-CG 3.92Å; P465-R467 VanDerWaalsContact C-N 3.35Å; P465-R467 WeakPolarHBondContact CB-O 3.49Å; P465-A468 HydrophobicContact CG-CB 4.4Å
466	L	98.3	Very high	96.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-91.2	-2.4	173.1	-57.1	-171.3	0	0	0	112.7	H430 T431 D437 V438 R440 I454 L459 L507	H430-L466 PolarHBondContact O-N 2.84Å; T431-L466 WeakPolarHBondContact O-CD1 3.42Å; D437-L466 HydrophobicContact CB-CD1 4.29Å; D437-L466 WeakPolarHBondContact OD2-CB 3.35Å; V438-L466 HydrophobicContact CG2-CD1 3.95Å; R440-L466 PolarHBondContact NH2-O 3.12Å; I454-L466 HydrophobicContact CD1-CD1 4.31Å; I454-L466 HydrophobicContact CD1-CD2 3.49Å; I454-L466 VanDerWaalsContact CD1-CD2 3.49Å; L459-L466 HydrophobicContact CB-CD2 3.93Å; L466-L507 VanDerWaalsContact C-CD1 3.44Å; L466-L507 WeakPolarHBondContact O-CD1 3.31Å
467	R	98.4	Very high	96.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-143.3	131.7	171.9	-50.6	-169.7	-170.6	-166.4	6.6	109.7	V382 G383 H430 D437 P465 V508 T510	V382-R467 HydrophobicContact CG1-CB 3.92Å; G383-R467 WeakPolarHBondContact CA-O 3.34Å; G383-R467 PolarHBondContact N-O 3.5Å; H430-R467 HydrophobicContact CB-CB 4.29Å; H430-R467 HydrophobicContact CB-CG 3.98Å; H430-R467 PolarHBondContact CD2-NE 3.16Å; D437-R467 IonicContact OD1-CZ 3.09Å; D437-R467 VanDerWaalsContact OD1-CZ 3.23Å; D437-R467 IonicContact OD1-NE 3.51Å; D437-R467 PolarHBondContact OD1-NE 3.48Å; D437-R467 IonicContact OD1-NH2 3.52Å; D437-R467 PolarHBondContact OD1-NH2 3.48Å; D437-R467 IonicContact OD2-NE 2.7Å; P465-R467 VanDerWaalsContact C-N 3.35Å; P465-R467 WeakPolarHBondContact CB-O 3.49Å; R467-V508 CarbonylContact C-O 3.44Å; R467-V508 WeakPolarHBondContact CA-O 3.48Å; R467-V508 WeakPolarHBondContact CB-O 3.31Å; R467-V508 HydrophobicContact CG-CG2 3.97Å; R467-T510 WeakPolarHBondContact CD-O 3.41Å; R467-T510 PolarHBondContact NH1-O 3.09Å
468	A	98.8	Very high	97	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.			trans	-157.4	158.4	175.8	0	0	0	0	0	111.6	V364 P465 K475 L507 V508	V364-A468 HydrophobicContact CG1-CB 4.2Å; P465-A468 HydrophobicContact CG-CB 4.4Å; A468-K475 WeakPolarHBondContact O-CE 3.46Å; A468-K475 PolarHBondContact O-NZ 2.82Å; A468-L507 HydrophobicContact CB-CD1 4.43Å; A468-L507 HydrophobicContact CB-CD2 3.98Å; A468-V508 PolarHBondContact N-O 3.06Å
469	F	98.8	Very high	96.8	Very high	1 Å²	1	26.1 Å²	26.1	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	151.3	166	-59.1	-71.5	0	0	0	110.8	V136 L331 M334 D335 G362 C363 A365 V382 A509	V136-F469 HydrophobicContact CG1-CD2 4.18Å; V136-F469 HydrophobicContact CG1-CE2 4.34Å; V136-F469 HydrophobicContact CG2-CB 3.91Å; V136-F469 HydrophobicContact CG2-CD2 4.19Å; V136-F469 HydrophobicContact CG2-CG 4.01Å; L331-F469 HydrophobicContact CB-CE1 4.12Å; L331-F469 HydrophobicContact CB-CZ 4.05Å; L331-F469 HydrophobicContact CD1-CZ 4.34Å; L331-F469 HydrophobicContact CD2-CZ 4Å; L331-F469 HydrophobicContact CG-CZ 4.36Å; M334-F469 HydrophobicContact CE-CD1 3.91Å; M334-F469 HydrophobicContact CE-CE1 3.65Å; M334-F469 HydrophobicContact CE-CG 4.46Å; M334-F469 HydrophobicContact CE-CZ 3.99Å; D335-F469 HydrophobicContact CB-CD1 3.94Å; D335-F469 VanDerWaalsContact OD1-CA 3.25Å; D335-F469 WeakPolarHBondContact OD1-CA 3.47Å; G362-F469 VanDerWaalsContact CA-O 3.26Å; G362-F469 WeakPolarHBondContact CA-O 3.2Å; C363-F469 PolarHBondContact N-O 2.66Å; C363-F469 VanDerWaalsContact N-O 3.15Å; C363-F469 PolarHBondContact O-N 3.14Å; A365-F469 HydrophobicContact CB-CD2 4.49Å; A365-F469 HydrophobicContact CB-CE2 3.86Å; V382-F469 HydrophobicContact CB-CD2 4.45Å; V382-F469 HydrophobicContact CB-CE2 3.77Å; V382-F469 HydrophobicContact CB-CZ 3.97Å; V382-F469 HydrophobicContact CG1-CD2 4.34Å; V382-F469 HydrophobicContact CG1-CE2 4.1Å; V382-F469 HydrophobicContact CG1-CZ 4.31Å; V382-F469 HydrophobicContact CG2-CE1 4.22Å; V382-F469 HydrophobicContact CG2-CE2 3.84Å; V382-F469 HydrophobicContact CG2-CZ 3.5Å; V382-F469 VanDerWaalsContact CG2-CZ 3.5Å; F469-A509 HydrophobicContact CD1-CB 3.91Å; F469-A509 HydrophobicContact CE1-CB 4.17Å
470	G	98.4	Very high	96.6	Very high	3 Å²	3	28 Å²	28	3%	0.031	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.4	-131.5	-176.8	0	0	0	0	0	111.3	D335 V359 A361 I472 K475	D335-G470 PolarHBondContact OD1-N 2.78Å; V359-G470 CarbonylContact O-C 3.56Å; A361-G470 WeakPolarHBondContact O-CA 3.32Å; G470-I472 PolarHBondContact O-N 2.8Å; G470-I472 VanDerWaalsContact O-N 3.15Å; G470-K475 VanDerWaalsContact O-CD 3.3Å; G470-K475 WeakPolarHBondContact O-CD 3.38Å; G470-K475 WeakPolarHBondContact O-CE 3.23Å; G470-K475 PolarHBondContact O-NZ 2.97Å
471	D	98	Very high	96.6	Very high	7 Å²	7	27.3 Å²	27.3	4%	0.037	15%	0.147	C	C	.	.			trans	49.1	42	178.3	-83.1	-43.8	0	0	0	113.7	H127 V359 A361 G362 R473 F474 L507	H127-D471 IonicContact CD2-OD1 3.72Å; H127-D471 IonicContact CD2-OD2 3.62Å; H127-D471 IonicContact CE1-OD2 2.58Å; H127-D471 PolarHBondContact CE1-OD2 3.06Å; H127-D471 IonicContact NE2-OD1 3.97Å; H127-D471 IonicContact NE2-OD2 3.72Å; H127-D471 PolarHBondContact NE2-OD2 2.7Å; V359-D471 PolarHBondContact O-N 2.89Å; A361-D471 PolarHBondContact O-N 2.85Å; G362-D471 WeakPolarHBondContact CA-OD2 3.36Å; D471-R473 PolarHBondContact O-N 2.81Å; D471-F474 HydrophobicContact CB-CD2 3.97Å; D471-F474 PolarHBondContact O-N 2.89Å; D471-L507 HydrophobicContact CB-CD2 3.36Å
472	I	97.1	Very high	96.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-58.8	-20.1	-172.6	58.8	151.3	0	0	0	114.1	V359 F360 G470 F474 K475 W476 L481 I484	V359-I472 HydrophobicContact CB-CG1 4.44Å; V359-I472 HydrophobicContact CB-CG2 3.67Å; V359-I472 HydrophobicContact CG2-CD1 3.89Å; V359-I472 HydrophobicContact CG2-CG1 4.07Å; V359-I472 HydrophobicContact CG2-CG2 4.03Å; V359-I472 WeakPolarHBondContact O-CG1 3.46Å; V359-I472 WeakPolarHBondContact O-CG2 3.33Å; V359-I472 PolarHBondContact O-N 3.03Å; F360-I472 HydrophobicContact CD1-CD1 4.41Å; F360-I472 HydrophobicContact CD1-CG1 4.17Å; F360-I472 HydrophobicContact CD2-CD1 4.03Å; F360-I472 HydrophobicContact CD2-CG1 4.35Å; F360-I472 HydrophobicContact CE1-CD1 4.12Å; F360-I472 HydrophobicContact CE1-CG1 4.24Å; F360-I472 HydrophobicContact CE2-CD1 3.72Å; F360-I472 HydrophobicContact CE2-CG1 4.43Å; F360-I472 HydrophobicContact CG-CD1 4.37Å; F360-I472 HydrophobicContact CG-CG1 4.22Å; F360-I472 HydrophobicContact CZ-CD1 3.75Å; F360-I472 HydrophobicContact CZ-CG1 4.36Å; G470-I472 PolarHBondContact O-N 2.8Å; G470-I472 VanDerWaalsContact O-N 3.15Å; I472-F474 PolarHBondContact O-N 3.04Å; I472-F474 VanDerWaalsContact O-N 3.13Å; I472-K475 PolarHBondContact O-N 3.4Å; I472-W476 HydrophobicContact CB-CD2 3.94Å; I472-W476 HydrophobicContact CB-CG 4.01Å; I472-W476 HydrophobicContact CB-CZ2 4.28Å; I472-W476 HydrophobicContact CD1-CD2 3.9Å; I472-W476 HydrophobicContact CD1-CE3 3.75Å; I472-W476 HydrophobicContact CD1-CH2 3.86Å; I472-W476 HydrophobicContact CD1-CZ2 4.01Å; I472-W476 HydrophobicContact CD1-CZ3 3.78Å; I472-W476 HydrophobicContact CG2-CD2 4.25Å; I472-W476 HydrophobicContact CG2-CG 4.49Å; I472-W476 HydrophobicContact CG2-CZ2 3.78Å; I472-W476 PolarHBondContact O-N 3.41Å; I472-L481 HydrophobicContact CD1-CD2 4Å; I472-L481 HydrophobicContact CG1-CD2 4.44Å; I472-I484 HydrophobicContact CD1-CD1 4.26Å
473	R	96.6	Very high	96.4	Very high	58 Å²	58	29.5 Å²	29.5	22%	0.219	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-61.6	-16.4	173.4	-58.6	-166.5	-62.8	140.8	8.6	113.3	F360 D471 P495 I496 P498 Y501	F360-R473 HydrophobicContact CD1-CG 3.53Å; F360-R473 HydrophobicContact CE1-CG 3.48Å; F360-R473 VanDerWaalsContact CE1-CG 3.48Å; D471-R473 PolarHBondContact O-N 2.81Å; R473-P495 PolarHBondContact NH1-O 3.31Å; R473-I496 WeakPolarHBondContact CB-O 3.08Å; R473-I496 WeakPolarHBondContact CD-O 3.32Å; R473-I496 WeakPolarHBondContact CG-O 2.95Å; R473-P498 WeakPolarHBondContact O-CD 2.87Å; R473-Y501 VanDerWaalsContact O-CE2 3.23Å; R473-Y501 WeakPolarHBondContact O-CE2 3.32Å; R473-Y501 PolarHBondContact O-OH 3.18Å
474	F	97.9	Very high	96.2	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.018	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-104.5	-6.5	174.7	-61.3	-91.8	0	0	0	113.3	L459 L460 E462 L463 D471 I472 P498 Y501 Y506 L507	L459-F474 HydrophobicContact CD2-CD1 4.12Å; L459-F474 HydrophobicContact CG-CD1 4.45Å; L460-F474 HydrophobicContact CD1-CD1 4.17Å; L460-F474 HydrophobicContact CD1-CE1 4.42Å; E462-F474 HydrophobicContact CB-CE1 4.35Å; E462-F474 HydrophobicContact CB-CZ 4.03Å; L463-F474 HydrophobicContact CB-CE1 4.18Å; L463-F474 HydrophobicContact CB-CE2 4.4Å; L463-F474 HydrophobicContact CB-CZ 3.93Å; L463-F474 HydrophobicContact CD2-CD2 4.33Å; L463-F474 HydrophobicContact CD2-CE2 4.29Å; D471-F474 HydrophobicContact CB-CD2 3.97Å; D471-F474 PolarHBondContact O-N 2.89Å; I472-F474 PolarHBondContact O-N 3.04Å; I472-F474 VanDerWaalsContact O-N 3.13Å; F474-P498 HydrophobicContact CD1-CG 3.79Å; F474-P498 HydrophobicContact CE1-CB 4.49Å; F474-P498 HydrophobicContact CE1-CG 3.46Å; F474-P498 VanDerWaalsContact CE1-CG 3.46Å; F474-P498 HydrophobicContact CZ-CG 3.94Å; F474-Y501 PolarHBondContact O-OH 2.79Å; F474-Y506 PolarHBondContact O-N 3.18Å; F474-L507 HydrophobicContact CB-CB 3.52Å; F474-L507 HydrophobicContact CB-CD2 4.01Å; F474-L507 HydrophobicContact CB-CG 4.44Å; F474-L507 HydrophobicContact CG-CB 4.47Å; F474-L507 HydrophobicContact CG-CD2 4.45Å; F474-L507 PolarHBondContact O-N 3.46Å
475	K	97.6	Very high	96	Very high	22 Å²	22	26.1 Å²	26.1	10%	0.096	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-41.2	-172.2	-57.7	-175.5	175.8	167.5	0	113.1	D335 A468 G470 I472 Y501 P505 L507	D335-K475 VanDerWaalsContact CG-NZ 3.29Å; D335-K475 IonicContact OD1-NZ 2.81Å; D335-K475 PolarHBondContact OD1-NZ 3.12Å; D335-K475 VanDerWaalsContact OD1-NZ 3.14Å; D335-K475 IonicContact OD2-NZ 2.92Å; D335-K475 PolarHBondContact OD2-NZ 3Å; A468-K475 WeakPolarHBondContact O-CE 3.46Å; A468-K475 PolarHBondContact O-NZ 2.82Å; G470-K475 VanDerWaalsContact O-CD 3.3Å; G470-K475 WeakPolarHBondContact O-CD 3.38Å; G470-K475 WeakPolarHBondContact O-CE 3.23Å; G470-K475 PolarHBondContact O-NZ 2.97Å; I472-K475 PolarHBondContact O-N 3.4Å; K475-Y501 PolarHBondContact N-OH 3.02Å; K475-Y501 VanDerWaalsContact N-OH 3.11Å; K475-P505 HydrophobicContact CB-CB 4.41Å; K475-P505 WeakPolarHBondContact O-CB 3.28Å; K475-L507 HydrophobicContact CG-CB 4.25Å; K475-L507 WeakPolarHBondContact CG-O 3.48Å
476	W	96.4	Very high	95.7	Very high	22 Å²	22	35 Å²	35	8%	0.083	17%	0.168	C	C	.	.	S	Bend	trans	-86.3	153.6	-168	-72.3	11.4	0	0	0	113.1	S339 A342 I472 D480 L481 I484 Y501	S339-W476 WeakPolarHBondContact O-CZ2 3.45Å; A342-W476 HydrophobicContact CB-CH2 4.45Å; I472-W476 HydrophobicContact CB-CD2 3.94Å; I472-W476 HydrophobicContact CB-CG 4.01Å; I472-W476 HydrophobicContact CB-CZ2 4.28Å; I472-W476 HydrophobicContact CD1-CD2 3.9Å; I472-W476 HydrophobicContact CD1-CE3 3.75Å; I472-W476 HydrophobicContact CD1-CH2 3.86Å; I472-W476 HydrophobicContact CD1-CZ2 4.01Å; I472-W476 HydrophobicContact CD1-CZ3 3.78Å; I472-W476 HydrophobicContact CG2-CD2 4.25Å; I472-W476 HydrophobicContact CG2-CG 4.49Å; I472-W476 HydrophobicContact CG2-CZ2 3.78Å; I472-W476 PolarHBondContact O-N 3.41Å; W476-D480 HydrophobicContact CE3-CB 4.06Å; W476-L481 HydrophobicContact CB-CD1 4.34Å; W476-L481 HydrophobicContact CB-CD2 4.1Å; W476-L481 HydrophobicContact CB-CG 3.98Å; W476-L481 HydrophobicContact CE3-CD2 4.34Å; W476-I484 HydrophobicContact CE3-CD1 4.03Å; W476-I484 HydrophobicContact CH2-CD1 4.23Å; W476-I484 HydrophobicContact CZ3-CD1 3.37Å; W476-Y501 PolarHBondContact N-OH 3.22Å; W476-Y501 VanDerWaalsContact O-CE1 3.28Å; W476-Y501 WeakPolarHBondContact O-CE1 3.41Å; W476-Y501 PolarHBondContact O-OH 3.44Å
477	P	95.7	Very high	95.3	Very high	66 Å²	66	37.7 Å²	37.7	43%	0.429	18%	0.182	S	C	.	.			trans	-56.8	150.8	169.8	-23.8	34.5	0	0	0	112.7	D479 D480 L481	P477-D479 VanDerWaalsContact C-N 3.26Å; P477-D479 PolarHBondContact O-N 3.11Å; P477-D480 PolarHBondContact O-N 3.44Å; P477-L481 PolarHBondContact O-N 3.2Å
478	T	94.8	Very high	94.9	Very high	36 Å²	36	40.3 Å²	40.3	22%	0.221	20%	0.196	C	C	.	.	H	α-helix	trans	-61.9	-32.2	-177.9	62.1	0	0	0	0	113.4	L481 K482 F497 Y501	T478-L481 PolarHBondContact O-N 2.85Å; T478-K482 WeakPolarHBondContact O-CB 3.09Å; T478-K482 WeakPolarHBondContact O-CD 3.45Å; T478-K482 WeakPolarHBondContact O-CG 3.04Å; T478-K482 PolarHBondContact O-N 2.99Å; T478-F497 HydrophobicContact CG2-CD1 4.31Å; T478-F497 HydrophobicContact CG2-CD2 4.49Å; T478-F497 HydrophobicContact CG2-CE1 4.17Å; T478-F497 HydrophobicContact CG2-CE2 4.34Å; T478-F497 HydrophobicContact CG2-CG 4.5Å; T478-F497 HydrophobicContact CG2-CZ 4.19Å; T478-Y501 HydrophobicContact CG2-CD1 3.71Å; T478-Y501 HydrophobicContact CG2-CE1 4.17Å
479	D	93	Very high	94.6	Very high	113 Å²	113	47.5 Å²	47.5	60%	0.604	23%	0.234	S	C	*	.	H	α-helix	trans	-70.1	-38.3	-178.2	-68.7	-23.6	0	0	0	112.3	P477 K482 N483	P477-D479 VanDerWaalsContact C-N 3.26Å; P477-D479 PolarHBondContact O-N 3.11Å; D479-K482 PolarHBondContact O-N 3.02Å; D479-K482 IonicContact OD1-NZ 3.73Å; D479-N483 WeakPolarHBondContact O-CB 3.35Å; D479-N483 PolarHBondContact O-N 3.25Å
480	D	93.2	Very high	94.2	Very high	39 Å²	39	48.6 Å²	48.6	21%	0.209	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-44.4	174.6	-71.5	-32.9	0	0	0	111	T345 W476 P477 N483 I484	T345-D480 PolarHBondContact OG1-OD1 3.46Å; W476-D480 HydrophobicContact CE3-CB 4.06Å; P477-D480 PolarHBondContact O-N 3.44Å; D480-N483 WeakPolarHBondContact O-CB 3.07Å; D480-N483 PolarHBondContact O-N 3.08Å; D480-I484 PolarHBondContact O-N 3.03Å
481	L	94.6	Very high	93.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-43.8	176.6	-65.9	173.9	0	0	0	111.2	F360 I472 W476 P477 T478 N483 I484 A485 I496 F497 Y501	F360-L481 HydrophobicContact CZ-CD2 4.47Å; I472-L481 HydrophobicContact CD1-CD2 4Å; I472-L481 HydrophobicContact CG1-CD2 4.44Å; W476-L481 HydrophobicContact CB-CD1 4.34Å; W476-L481 HydrophobicContact CB-CD2 4.1Å; W476-L481 HydrophobicContact CB-CG 3.98Å; W476-L481 HydrophobicContact CE3-CD2 4.34Å; P477-L481 PolarHBondContact O-N 3.2Å; T478-L481 PolarHBondContact O-N 2.85Å; L481-N483 VanDerWaalsContact C-N 3.32Å; L481-N483 PolarHBondContact O-N 2.86Å; L481-I484 PolarHBondContact O-N 2.89Å; L481-A485 PolarHBondContact O-N 2.98Å; L481-I496 HydrophobicContact CB-CG1 4.44Å; L481-I496 HydrophobicContact CB-CG2 4.06Å; L481-I496 WeakPolarHBondContact O-CD1 3.09Å; L481-F497 HydrophobicContact CB-CD1 4.11Å; L481-F497 HydrophobicContact CD1-CB 3.8Å; L481-F497 HydrophobicContact CD1-CD1 4.11Å; L481-F497 HydrophobicContact CD1-CG 4.41Å; L481-Y501 HydrophobicContact CD1-CE1 4.12Å
482	K	93.3	Very high	93.3	Very high	102 Å²	102	58.5 Å²	58.5	44%	0.443	30%	0.304	S	S	.	.	H	α-helix	trans	-62.2	-38.9	174.3	-73.1	166.3	-170.1	160.4	0	112.2	T478 D479 A485 R486 F497	T478-K482 WeakPolarHBondContact O-CB 3.09Å; T478-K482 WeakPolarHBondContact O-CD 3.45Å; T478-K482 WeakPolarHBondContact O-CG 3.04Å; T478-K482 PolarHBondContact O-N 2.99Å; D479-K482 PolarHBondContact O-N 3.02Å; D479-K482 IonicContact OD1-NZ 3.73Å; K482-A485 WeakPolarHBondContact O-CB 3.18Å; K482-A485 PolarHBondContact O-N 3.46Å; K482-R486 WeakPolarHBondContact O-CB 3.49Å; K482-R486 PolarHBondContact O-N 2.93Å; K482-F497 HydrophobicContact CG-CE1 4.09Å
483	N	92.1	Very high	92.8	Very high	56 Å²	56	66 Å²	66	30%	0.299	34%	0.344	S	S	.	.	H	α-helix	trans	-62.9	-44.3	176.4	-173.4	32.5	0	0	0	110.9	D479 D480 L481 A485 R486 L487	D479-N483 WeakPolarHBondContact O-CB 3.35Å; D479-N483 PolarHBondContact O-N 3.25Å; D480-N483 WeakPolarHBondContact O-CB 3.07Å; D480-N483 PolarHBondContact O-N 3.08Å; L481-N483 VanDerWaalsContact C-N 3.32Å; L481-N483 PolarHBondContact O-N 2.86Å; N483-A485 PolarHBondContact O-N 3.34Å; N483-R486 PolarHBondContact O-N 3.13Å; N483-L487 WeakPolarHBondContact O-CB 3.32Å; N483-L487 VanDerWaalsContact O-CG 3.31Å; N483-L487 WeakPolarHBondContact O-CG 3.45Å; N483-L487 PolarHBondContact O-N 3.08Å
484	I	92.2	Very high	92.6	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-58.9	-47.8	171.9	-72.5	172.7	0	0	0	111.2	P344 L356 F360 I472 W476 D480 L481 R486 L487 L488 I496	P344-I484 HydrophobicContact CG-CG1 3.84Å; L356-I484 HydrophobicContact CD2-CD1 4.11Å; F360-I484 HydrophobicContact CE2-CD1 4.27Å; F360-I484 HydrophobicContact CE2-CG2 3.91Å; F360-I484 HydrophobicContact CZ-CD1 4.36Å; F360-I484 HydrophobicContact CZ-CG2 3.88Å; I472-I484 HydrophobicContact CD1-CD1 4.26Å; W476-I484 HydrophobicContact CE3-CD1 4.03Å; W476-I484 HydrophobicContact CH2-CD1 4.23Å; W476-I484 HydrophobicContact CZ3-CD1 3.37Å; D480-I484 PolarHBondContact O-N 3.03Å; L481-I484 PolarHBondContact O-N 2.89Å; I484-R486 PolarHBondContact O-N 2.93Å; I484-L487 PolarHBondContact O-N 2.65Å; I484-L487 VanDerWaalsContact O-N 3.15Å; I484-L488 HydrophobicContact CG2-CD1 3.64Å; I484-L488 HydrophobicContact CG2-CG 4.15Å; I484-L488 WeakPolarHBondContact O-CB 3.36Å; I484-L488 WeakPolarHBondContact O-CG 3.49Å; I484-L488 PolarHBondContact O-N 3.02Å; I484-I496 HydrophobicContact CG2-CD1 4.23Å
485	A	92.8	Very high	92.3	Very high	14 Å²	14	68.4 Å²	68.4	12%	0.116	36%	0.363	C	S	.	.	H	α-helix	trans	-55.3	-43.9	178.8	0	0	0	0	0	111.5	L481 K482 N483 L488 D489 L490 I496	L481-A485 PolarHBondContact O-N 2.98Å; K482-A485 WeakPolarHBondContact O-CB 3.18Å; K482-A485 PolarHBondContact O-N 3.46Å; N483-A485 PolarHBondContact O-N 3.34Å; A485-L488 PolarHBondContact O-N 3.09Å; A485-D489 PolarHBondContact O-N 3.14Å; A485-L490 HydrophobicContact CB-CB 4.25Å; A485-L490 HydrophobicContact CB-CD1 4.15Å; A485-L490 WeakPolarHBondContact O-CB 3.09Å; A485-L490 PolarHBondContact O-N 3.46Å; A485-I496 HydrophobicContact CB-CD1 3.68Å; A485-I496 HydrophobicContact CB-CG2 4.36Å
486	R	91.9	Very high	92.1	Very high	192 Å²	192	67.7 Å²	67.7	73%	0.725	36%	0.36	S	S	*	.	H	α-helix	trans	-63.9	-47.1	176.1	176.9	-174.1	146.8	161.7	-4.8	112	K482 N483 I484 L488 D489	K482-R486 WeakPolarHBondContact O-CB 3.49Å; K482-R486 PolarHBondContact O-N 2.93Å; N483-R486 PolarHBondContact O-N 3.13Å; I484-R486 PolarHBondContact O-N 2.93Å; R486-L488 PolarHBondContact O-N 2.69Å; R486-D489 PolarHBondContact O-N 3.07Å
487	L	90.3	Very high	92	Very high	57 Å²	57	69.4 Å²	69.4	30%	0.298	37%	0.368	S	S	.	.	H	α-helix	trans	-66.2	-24.4	-179.9	-71.4	172.4	0	0	0	112.9	P344 P349 L351 N483 I484 D489	P344-L487 HydrophobicContact CB-CD1 3.79Å; P344-L487 HydrophobicContact CG-CD1 4.1Å; P349-L487 HydrophobicContact CB-CD2 4.26Å; L351-L487 HydrophobicContact CD1-CB 3.52Å; L351-L487 HydrophobicContact CD1-CD1 4.36Å; L351-L487 HydrophobicContact CD2-CD1 3.99Å; L351-L487 HydrophobicContact CG-CB 4.17Å; L351-L487 HydrophobicContact CG-CD1 4.21Å; N483-L487 WeakPolarHBondContact O-CB 3.32Å; N483-L487 VanDerWaalsContact O-CG 3.31Å; N483-L487 WeakPolarHBondContact O-CG 3.45Å; N483-L487 PolarHBondContact O-N 3.08Å; I484-L487 PolarHBondContact O-N 2.65Å; I484-L487 VanDerWaalsContact O-N 3.15Å; L487-D489 VanDerWaalsContact C-N 3.34Å
488	L	90.3	Very high	91.9	Very high	54 Å²	54	66.5 Å²	66.5	28%	0.283	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	5.2	173.3	-69.9	178.6	0	0	0	113.4	L351 L356 I484 A485 R486 L490	L351-L488 HydrophobicContact CD1-CD2 3.64Å; L351-L488 HydrophobicContact CD1-CG 3.75Å; L356-L488 HydrophobicContact CD1-CD1 4.42Å; L356-L488 HydrophobicContact CD1-CD2 4.28Å; I484-L488 HydrophobicContact CG2-CD1 3.64Å; I484-L488 HydrophobicContact CG2-CG 4.15Å; I484-L488 WeakPolarHBondContact O-CB 3.36Å; I484-L488 WeakPolarHBondContact O-CG 3.49Å; I484-L488 PolarHBondContact O-N 3.02Å; A485-L488 PolarHBondContact O-N 3.09Å; R486-L488 PolarHBondContact O-N 2.69Å; L488-L490 HydrophobicContact CB-CD1 4.38Å; L488-L490 HydrophobicContact CB-CD2 4.03Å; L488-L490 HydrophobicContact CB-CG 3.8Å; L488-L490 HydrophobicContact CD1-CD1 4.44Å; L488-L490 PolarHBondContact O-N 2.95Å
489	D	91	Very high	91.8	Very high	151 Å²	151	74.4 Å²	74.4	81%	0.807	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	37.3	-175.2	-63.7	-49.3	0	0	0	112.9	A485 R486 L487	A485-D489 PolarHBondContact O-N 3.14Å; R486-D489 PolarHBondContact O-N 3.07Å; L487-D489 VanDerWaalsContact C-N 3.34Å
490	L	91.7	Very high	91.6	Very high	24 Å²	24	74.2 Å²	74.2	13%	0.126	37%	0.369	C	S	.	.			trans	-72.2	150	178	-57.2	-174.1	0	0	0	111	L8 A485 L488 Y494 I496	L8-L490 HydrophobicContact CB-CD2 4Å; L8-L490 HydrophobicContact CD1-CD2 4.14Å; L8-L490 HydrophobicContact CD2-CD1 4.13Å; L8-L490 HydrophobicContact CD2-CD2 3.79Å; L8-L490 HydrophobicContact CG-CD2 4.16Å; A485-L490 HydrophobicContact CB-CB 4.25Å; A485-L490 HydrophobicContact CB-CD1 4.15Å; A485-L490 WeakPolarHBondContact O-CB 3.09Å; A485-L490 PolarHBondContact O-N 3.46Å; L488-L490 HydrophobicContact CB-CD1 4.38Å; L488-L490 HydrophobicContact CB-CD2 4.03Å; L488-L490 HydrophobicContact CB-CG 3.8Å; L488-L490 HydrophobicContact CD1-CD1 4.44Å; L488-L490 PolarHBondContact O-N 2.95Å; L490-Y494 HydrophobicContact CB-CG 4.25Å; L490-Y494 HydrophobicContact CD1-CD1 3.64Å; L490-Y494 HydrophobicContact CD1-CE1 3.85Å; L490-Y494 HydrophobicContact CD1-CG 4.05Å; L490-I496 HydrophobicContact CD1-CD1 4.16Å
491	P	92.5	Very high	91.7	Very high	84 Å²	84	73 Å²	73	55%	0.545	36%	0.362	S	S	.	.			trans	-53.6	143.7	174.9	-26	34.1	0	0	0	111.9	N493 Y494	P491-N493 PolarHBondContact O-N 2.83Å; P491-Y494 WeakPolarHBondContact O-CB 3.37Å; P491-Y494 PolarHBondContact O-N 3.06Å
492	P	84.6	Confident	91.6	Very high	134 Å²	134	77 Å²	77	87%	0.87	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-27.4	-177.6	-28.4	34.6	0	0	0	115.2
493	N	86.9	Confident	91.8	Very high	157 Å²	157	73.5 Å²	73.5	84%	0.84	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	13	-179.8	-62.4	-23.7	0	0	0	113.1	P491 P495	P491-N493 PolarHBondContact O-N 2.83Å; N493-P495 WeakPolarHBondContact O-CD 3.43Å
494	Y	91	Very high	92	Very high	44 Å²	44	72.4 Å²	72.4	17%	0.173	38%	0.379	C	S	.	.			trans	-64.7	125	177.6	-175.5	-88.7	0	0	0	109.8	L8 L12 L490 P491 I496	L8-Y494 HydrophobicContact CD2-CE2 4.39Å; L12-Y494 WeakPolarHBondContact CD1-OH 3.28Å; L490-Y494 HydrophobicContact CB-CG 4.25Å; L490-Y494 HydrophobicContact CD1-CD1 3.64Å; L490-Y494 HydrophobicContact CD1-CE1 3.85Å; L490-Y494 HydrophobicContact CD1-CG 4.05Å; P491-Y494 WeakPolarHBondContact O-CB 3.37Å; P491-Y494 PolarHBondContact O-N 3.06Å; Y494-I496 VanDerWaalsContact C-N 3.27Å; Y494-I496 HydrophobicContact CD1-CB 3.99Å; Y494-I496 HydrophobicContact CE1-CB 4.3Å; Y494-I496 PolarHBondContact O-N 3.46Å
495	P	91.7	Very high	92.2	Very high	70 Å²	70	76 Å²	76	46%	0.455	40%	0.402	S	S	.	.			trans	-76.5	76.7	-177	32	-35.1	0	0	0	110.8	F16 R473 N493 F497	F16-P495 HydrophobicContact CE1-CG 4.5Å; R473-P495 PolarHBondContact NH1-O 3.31Å; N493-P495 WeakPolarHBondContact O-CD 3.43Å; P495-F497 VanDerWaalsContact C-N 3.27Å; P495-F497 PolarHBondContact O-N 2.91Å
496	I	94.2	Very high	92.5	Very high	7 Å²	7	75.4 Å²	75.4	4%	0.036	40%	0.397	C	S	.	.			trans	-77.1	-11.8	-179.3	-162.3	155.1	0	0	0	113.6	F360 R473 L481 I484 A485 L490 Y494	F360-I496 HydrophobicContact CE1-CD1 4.18Å; F360-I496 HydrophobicContact CE1-CG1 3.97Å; F360-I496 HydrophobicContact CZ-CD1 3.96Å; F360-I496 HydrophobicContact CZ-CG1 4.24Å; R473-I496 WeakPolarHBondContact CB-O 3.08Å; R473-I496 WeakPolarHBondContact CD-O 3.32Å; R473-I496 WeakPolarHBondContact CG-O 2.95Å; L481-I496 HydrophobicContact CB-CG1 4.44Å; L481-I496 HydrophobicContact CB-CG2 4.06Å; L481-I496 WeakPolarHBondContact O-CD1 3.09Å; I484-I496 HydrophobicContact CG2-CD1 4.23Å; A485-I496 HydrophobicContact CB-CD1 3.68Å; A485-I496 HydrophobicContact CB-CG2 4.36Å; L490-I496 HydrophobicContact CD1-CD1 4.16Å; Y494-I496 VanDerWaalsContact C-N 3.27Å; Y494-I496 HydrophobicContact CD1-CB 3.99Å; Y494-I496 HydrophobicContact CE1-CB 4.3Å; Y494-I496 PolarHBondContact O-N 3.46Å
497	F	94.3	Very high	92.8	Very high	58 Å²	58	66.4 Å²	66.4	25%	0.254	36%	0.363	S	S	.	.	S	Bend	trans	-138.5	159.6	168.5	46.2	-99.3	0	0	0	109.9	T478 L481 K482 P495 Y501	T478-F497 HydrophobicContact CG2-CD1 4.31Å; T478-F497 HydrophobicContact CG2-CD2 4.49Å; T478-F497 HydrophobicContact CG2-CE1 4.17Å; T478-F497 HydrophobicContact CG2-CE2 4.34Å; T478-F497 HydrophobicContact CG2-CG 4.5Å; T478-F497 HydrophobicContact CG2-CZ 4.19Å; L481-F497 HydrophobicContact CB-CD1 4.11Å; L481-F497 HydrophobicContact CD1-CB 3.8Å; L481-F497 HydrophobicContact CD1-CD1 4.11Å; L481-F497 HydrophobicContact CD1-CG 4.41Å; K482-F497 HydrophobicContact CG-CE1 4.09Å; P495-F497 VanDerWaalsContact C-N 3.27Å; P495-F497 PolarHBondContact O-N 2.91Å; F497-Y501 HydrophobicContact CB-CD1 3.81Å; F497-Y501 HydrophobicContact CB-CE1 4.01Å; F497-Y501 HydrophobicContact CB-CG 4.14Å; F497-Y501 HydrophobicContact CD2-CD1 4.11Å; F497-Y501 HydrophobicContact CD2-CG 4.37Å; F497-Y501 HydrophobicContact CG-CD1 4.02Å; F497-Y501 HydrophobicContact CG-CE1 4.5Å
498	P	94	Very high	93.1	Very high	4 Å²	4	65.3 Å²	65.3	3%	0.026	36%	0.358	C	S	.	.			trans	-60.9	167.7	178.4	-24.7	35.2	0	0	0	114.1	L460 R473 F474 Y501	L460-P498 HydrophobicContact CB-CB 4.13Å; L460-P498 HydrophobicContact CD1-CB 3.75Å; L460-P498 HydrophobicContact CD1-CG 3.92Å; R473-P498 WeakPolarHBondContact O-CD 2.87Å; F474-P498 HydrophobicContact CD1-CG 3.79Å; F474-P498 HydrophobicContact CE1-CB 4.49Å; F474-P498 HydrophobicContact CE1-CG 3.46Å; F474-P498 VanDerWaalsContact CE1-CG 3.46Å; F474-P498 HydrophobicContact CZ-CG 3.94Å; P498-Y501 HydrophobicContact CG-CD2 4.3Å; P498-Y501 VanDerWaalsContact O-CB 3.3Å; P498-Y501 WeakPolarHBondContact O-CB 3.41Å
499	R	91.8	Very high	93.5	Very high	202 Å²	202	62.9 Å²	62.9	76%	0.762	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	154.9	167.7	-65	-174	177.6	-147.2	0.5	110.4	Y501	R499-Y501 VanDerWaalsContact C-N 3.33Å; R499-Y501 PolarHBondContact O-N 2.85Å
500	F	89.5	Confident	93.8	Very high	110 Å²	110	56.5 Å²	56.5	48%	0.482	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	40.3	179.6	-46.8	-78.4	0	0	0	113.3	F452 Y506	F452-F500 HydrophobicContact CB-CB 4.5Å; F500-Y506 PolarHBondContact O-OH 2.82Å
501	Y	94.5	Very high	94.1	Very high	14 Å²	14	55.4 Å²	55.4	6%	0.055	31%	0.307	C	S	.	.			trans	-104.4	69.5	-172.9	-168.1	-99.6	0	0	0	111.4	L460 R473 F474 K475 W476 T478 L481 F497 P498 R499 P504 Y506	L460-Y501 HydrophobicContact CD1-CD2 3.92Å; R473-Y501 VanDerWaalsContact O-CE2 3.23Å; R473-Y501 WeakPolarHBondContact O-CE2 3.32Å; R473-Y501 PolarHBondContact O-OH 3.18Å; F474-Y501 PolarHBondContact O-OH 2.79Å; K475-Y501 PolarHBondContact N-OH 3.02Å; K475-Y501 VanDerWaalsContact N-OH 3.11Å; W476-Y501 PolarHBondContact N-OH 3.22Å; W476-Y501 VanDerWaalsContact O-CE1 3.28Å; W476-Y501 WeakPolarHBondContact O-CE1 3.41Å; W476-Y501 PolarHBondContact O-OH 3.44Å; T478-Y501 HydrophobicContact CG2-CD1 3.71Å; T478-Y501 HydrophobicContact CG2-CE1 4.17Å; L481-Y501 HydrophobicContact CD1-CE1 4.12Å; F497-Y501 HydrophobicContact CB-CD1 3.81Å; F497-Y501 HydrophobicContact CB-CE1 4.01Å; F497-Y501 HydrophobicContact CB-CG 4.14Å; F497-Y501 HydrophobicContact CD2-CD1 4.11Å; F497-Y501 HydrophobicContact CD2-CG 4.37Å; F497-Y501 HydrophobicContact CG-CD1 4.02Å; F497-Y501 HydrophobicContact CG-CE1 4.5Å; P498-Y501 HydrophobicContact CG-CD2 4.3Å; P498-Y501 VanDerWaalsContact O-CB 3.3Å; P498-Y501 WeakPolarHBondContact O-CB 3.41Å; R499-Y501 VanDerWaalsContact C-N 3.33Å; R499-Y501 PolarHBondContact O-N 2.85Å; Y501-P504 HydrophobicContact CD1-CG 4.37Å; Y501-P504 HydrophobicContact CE1-CB 3.72Å; Y501-P504 HydrophobicContact CE1-CG 3.78Å; Y501-P504 HydrophobicContact CE2-CB 4.07Å; Y501-P504 VanDerWaalsContact CZ-CB 3.46Å; Y501-P504 VanDerWaalsContact OH-CB 3.3Å; Y501-P504 WeakPolarHBondContact OH-CB 3.32Å; Y501-Y506 AromaticContact CD2-CD2 3.34Å; Y501-Y506 HydrophobicContact CD2-CD2 3.34Å; Y501-Y506 AromaticContact CD2-CE2 3.4Å; Y501-Y506 HydrophobicContact CD2-CE2 3.4Å; Y501-Y506 HydrophobicContact CD2-CG 4.35Å; Y501-Y506 AromaticContact CE2-CD2 3.28Å; Y501-Y506 HydrophobicContact CE2-CD2 3.28Å; Y501-Y506 AromaticContact CE2-CE2 3.75Å; Y501-Y506 HydrophobicContact CE2-CE2 3.75Å; Y501-Y506 HydrophobicContact CE2-CG 4.3Å; Y501-Y506 HydrophobicContact CG-CD2 4.27Å; Y501-Y506 AromaticContact CG-CE2 3.9Å; Y501-Y506 HydrophobicContact CG-CE2 3.9Å
502	A	93.8	Very high	94.3	Very high	82 Å²	82	52.1 Å²	52.1	68%	0.678	29%	0.285	S	S	*	.	S	Bend	trans	-98.9	-31.5	-172.7	0	0	0	0	0	114.1	P504 Y506	A502-P504 VanDerWaalsContact C-CD 3.4Å; A502-P504 WeakPolarHBondContact O-CD 3.39Å; A502-Y506 PolarHBondContact N-OH 2.95Å
503	S	96	Very high	95	Very high	29 Å²	29	45.8 Å²	45.8	20%	0.203	24%	0.243	C	C	.	.	S	Bend	trans	-125.8	54.1	-175.1	59.4	0	0	0	0	113.4	H445 P446 E449 Y506	H445-S503 PolarHBondContact CE1-O 3.01Å; H445-S503 PolarHBondContact ND1-O 3.47Å; H445-S503 VanDerWaalsContact ND1-O 3.11Å; H445-S503 PolarHBondContact ND1-OG 2.84Å; P446-S503 WeakPolarHBondContact CD-OG 3.49Å; E449-S503 WeakPolarHBondContact OE1-CB 3.3Å; E449-S503 PolarHBondContact OE1-OG 3.02Å; E449-S503 PolarHBondContact OE2-OG 3.25Å; S503-Y506 PolarHBondContact N-OH 2.86Å; S503-Y506 PolarHBondContact OG-OH 2.99Å
504	P	96.8	Very high	95.5	Very high	34 Å²	34	39.6 Å²	39.6	22%	0.221	21%	0.21	C	C	.	.			trans	-60.5	154.2	174.8	29.9	-36.2	0	0	0	112.3	Y501 A502 Y506	Y501-P504 HydrophobicContact CD1-CG 4.37Å; Y501-P504 HydrophobicContact CE1-CB 3.72Å; Y501-P504 HydrophobicContact CE1-CG 3.78Å; Y501-P504 HydrophobicContact CE2-CB 4.07Å; Y501-P504 VanDerWaalsContact CZ-CB 3.46Å; Y501-P504 VanDerWaalsContact OH-CB 3.3Å; Y501-P504 WeakPolarHBondContact OH-CB 3.32Å; A502-P504 VanDerWaalsContact C-CD 3.4Å; A502-P504 WeakPolarHBondContact O-CD 3.39Å; P504-Y506 HydrophobicContact CB-CD2 4.11Å; P504-Y506 HydrophobicContact CB-CE2 4.23Å
505	P	97.2	Very high	95.9	Very high	74 Å²	74	37.7 Å²	37.7	48%	0.481	20%	0.203	S	C	.	.			cis	-79.8	136.9	4.7	31.2	-35	0	0	0	113.7	H445 K475	H445-P505 PolarHBondContact CE1-O 2.81Å; H445-P505 VanDerWaalsContact CE1-O 3.24Å; H445-P505 PolarHBondContact NE2-O 3.46Å; K475-P505 HydrophobicContact CB-CB 4.41Å; K475-P505 WeakPolarHBondContact O-CB 3.28Å
506	Y	97.6	Very high	96.1	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.012	19%	0.185	C	C	.	.			trans	-93.4	-15.9	171.6	-69.6	-91.1	0	0	0	113.1	I441 H445 E449 L453 L459 L460 F474 F500 Y501 A502 S503 P504	I441-Y506 WeakPolarHBondContact CD1-O 3.34Å; H445-Y506 AromaticContact CE1-CD1 3.29Å; H445-Y506 WeakPolarHBondContact CE1-CD1 3.48Å; H445-Y506 AromaticContact CE1-CE1 3.5Å; H445-Y506 VanDerWaalsContact CE1-CE1 3.5Å; H445-Y506 WeakPolarHBondContact CE1-CE1 3.21Å; H445-Y506 AromaticContact CE1-CG 3.66Å; H445-Y506 AromaticContact ND1-CD1 3.89Å; H445-Y506 AromaticContact ND1-CE1 3.63Å; H445-Y506 AromaticContact NE2-CD1 3.49Å; H445-Y506 WeakPolarHBondContact NE2-CD1 3.49Å; H445-Y506 AromaticContact NE2-CG 3.98Å; E449-Y506 VanDerWaalsContact OE2-CE1 3.28Å; E449-Y506 WeakPolarHBondContact OE2-CE1 3.49Å; E449-Y506 VanDerWaalsContact OE2-CZ 3.3Å; E449-Y506 PolarHBondContact OE2-OH 3.07Å; L453-Y506 HydrophobicContact CD2-CD1 3.45Å; L453-Y506 VanDerWaalsContact CD2-CD1 3.45Å; L453-Y506 HydrophobicContact CD2-CE1 3.51Å; L459-Y506 WeakPolarHBondContact CD2-O 3.23Å; L460-Y506 HydrophobicContact CD1-CD1 4.1Å; L460-Y506 HydrophobicContact CD1-CD2 4.18Å; L460-Y506 HydrophobicContact CD1-CG 3.88Å; L460-Y506 HydrophobicContact CD2-CD1 3.98Å; L460-Y506 HydrophobicContact CD2-CE1 4.1Å; L460-Y506 HydrophobicContact CG-CD1 4.36Å; F474-Y506 PolarHBondContact O-N 3.18Å; F500-Y506 PolarHBondContact O-OH 2.82Å; Y501-Y506 AromaticContact CD2-CD2 3.34Å; Y501-Y506 HydrophobicContact CD2-CD2 3.34Å; Y501-Y506 AromaticContact CD2-CE2 3.4Å; Y501-Y506 HydrophobicContact CD2-CE2 3.4Å; Y501-Y506 HydrophobicContact CD2-CG 4.35Å; Y501-Y506 AromaticContact CE2-CD2 3.28Å; Y501-Y506 HydrophobicContact CE2-CD2 3.28Å; Y501-Y506 AromaticContact CE2-CE2 3.75Å; Y501-Y506 HydrophobicContact CE2-CE2 3.75Å; Y501-Y506 HydrophobicContact CE2-CG 4.3Å; Y501-Y506 HydrophobicContact CG-CD2 4.27Å; Y501-Y506 AromaticContact CG-CE2 3.9Å; Y501-Y506 HydrophobicContact CG-CE2 3.9Å; A502-Y506 PolarHBondContact N-OH 2.95Å; S503-Y506 PolarHBondContact N-OH 2.86Å; S503-Y506 PolarHBondContact OG-OH 2.99Å; P504-Y506 HydrophobicContact CB-CD2 4.11Å; P504-Y506 HydrophobicContact CB-CE2 4.23Å
507	L	98.2	Very high	96.2	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	19%	0.191	C	C	.	.			trans	-124.3	142.8	178.6	-173.1	69.2	0	0	0	109.1	L459 L463 L466 A468 D471 F474 K475	L459-L507 HydrophobicContact CD2-CB 4.09Å; L459-L507 HydrophobicContact CD2-CD1 3.86Å; L463-L507 HydrophobicContact CD2-CD1 3.89Å; L463-L507 HydrophobicContact CD2-CD2 3.61Å; L463-L507 HydrophobicContact CD2-CG 4.37Å; L466-L507 VanDerWaalsContact C-CD1 3.44Å; L466-L507 WeakPolarHBondContact O-CD1 3.31Å; A468-L507 HydrophobicContact CB-CD1 4.43Å; A468-L507 HydrophobicContact CB-CD2 3.98Å; D471-L507 HydrophobicContact CB-CD2 3.36Å; F474-L507 HydrophobicContact CB-CB 3.52Å; F474-L507 HydrophobicContact CB-CD2 4.01Å; F474-L507 HydrophobicContact CB-CG 4.44Å; F474-L507 HydrophobicContact CG-CB 4.47Å; F474-L507 HydrophobicContact CG-CD2 4.45Å; F474-L507 PolarHBondContact O-N 3.46Å; K475-L507 HydrophobicContact CG-CB 4.25Å; K475-L507 WeakPolarHBondContact CG-O 3.48Å
508	V	97.8	Very high	96	Very high	34 Å²	34	33.5 Å²	33.5	21%	0.206	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-124	151.5	176.4	-61.2	0	0	0	0	110.2	R467 A468 T510	R467-V508 CarbonylContact C-O 3.44Å; R467-V508 WeakPolarHBondContact CA-O 3.48Å; R467-V508 WeakPolarHBondContact CB-O 3.31Å; R467-V508 HydrophobicContact CG-CG2 3.97Å; A468-V508 PolarHBondContact N-O 3.06Å; V508-T510 VanDerWaalsContact C-N 3.33Å
509	A	98.1	Very high	95.7	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.033	20%	0.195	C	C	.	.			trans	-95.3	9.3	171.4	0	0	0	0	0	112.7	D335 V382 F469 P511	D335-A509 HydrophobicContact CB-CB 3.49Å; D335-A509 VanDerWaalsContact CB-CB 3.49Å; D335-A509 VanDerWaalsContact OD2-CB 3.24Å; D335-A509 WeakPolarHBondContact OD2-CB 3.4Å; V382-A509 WeakPolarHBondContact CG2-O 3.29Å; F469-A509 HydrophobicContact CD1-CB 3.91Å; F469-A509 HydrophobicContact CE1-CB 4.17Å; A509-P511 VanDerWaalsContact O-CD 3.3Å; A509-P511 WeakPolarHBondContact O-CD 3.3Å
510	T	96.8	Very high	95.1	Very high	17 Å²	17	28.7 Å²	28.7	10%	0.104	18%	0.176	C	C	.	.			trans	-64.6	115.6	-177.2	-51.5	0	0	0	0	111.4	D273 L332 R467 V508	D273-T510 WeakPolarHBondContact OD2-CG2 3.24Å; L332-T510 HydrophobicContact CD1-CG2 4.2Å; L332-T510 VanDerWaalsContact CD2-CA 3.5Å; L332-T510 HydrophobicContact CD2-CG2 4.48Å; L332-T510 WeakPolarHBondContact CD2-OG1 3.5Å; R467-T510 WeakPolarHBondContact CD-O 3.41Å; R467-T510 PolarHBondContact NH1-O 3.09Å; V508-T510 VanDerWaalsContact C-N 3.33Å
511	P	97.7	Very high	94.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.165	C	C	.	.			trans	-73.9	143.5	175	31.5	-35.1	0	0	0	110.8	R328 L331 A380 Q381 V382 A509 V513	R328-P511 HydrophobicContact CB-CG 4.11Å; R328-P511 HydrophobicContact CG-CG 3.9Å; L331-P511 HydrophobicContact CB-CG 4.11Å; L331-P511 HydrophobicContact CD1-CB 4.03Å; L331-P511 HydrophobicContact CD1-CG 4.05Å; A380-P511 HydrophobicContact CB-CB 4.36Å; Q381-P511 CarbonylContact O-C 3.35Å; Q381-P511 WeakPolarHBondContact O-CA 3.21Å; V382-P511 HydrophobicContact CG2-CB 3.62Å; V382-P511 HydrophobicContact CG2-CG 4.44Å; A509-P511 VanDerWaalsContact O-CD 3.3Å; A509-P511 WeakPolarHBondContact O-CD 3.3Å; P511-V513 HydrophobicContact CG-CG2 4.45Å
512	Q	98	Very high	94	Very high	16 Å²	16	27.4 Å²	27.4	8%	0.075	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	134	156.3	-178.5	178.6	-8.9	0	0	107.6	F275 A380 Q381 I427 H430	F275-Q512 HydrophobicContact CB-CG 3.93Å; F275-Q512 HydrophobicContact CD1-CG 4.4Å; F275-Q512 HydrophobicContact CG-CG 4.23Å; A380-Q512 WeakPolarHBondContact CA-O 3.16Å; Q381-Q512 PolarHBondContact N-O 3.2Å; Q381-Q512 PolarHBondContact O-N 3.35Å; I427-Q512 HydrophobicContact CD1-CB 4.38Å; I427-Q512 HydrophobicContact CD1-CG 4.22Å; I427-Q512 WeakPolarHBondContact CD1-O 3.35Å; I427-Q512 HydrophobicContact CG2-CB 4.21Å; I427-Q512 HydrophobicContact CG2-CG 4.16Å; I427-Q512 VanDerWaalsContact CG2-OE1 3.26Å; H430-Q512 PolarHBondContact NE2-OE1 3.25Å
513	V	98.5	Very high	93.9	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.5	177.1	-175.2	0	0	0	0	109.9	T277 A324 L327 R328 A379 A380 P511	T277-V513 WeakPolarHBondContact CA-O 3.19Å; T277-V513 PolarHBondContact OG1-O 3.27Å; A324-V513 HydrophobicContact CB-CB 4.28Å; A324-V513 HydrophobicContact CB-CG1 3.77Å; L327-V513 HydrophobicContact CB-CG2 4.28Å; L327-V513 HydrophobicContact CD1-CG1 4.11Å; R328-V513 HydrophobicContact CB-CG2 3.95Å; A379-V513 CarbonylContact O-C 3.59Å; A379-V513 VanDerWaalsContact O-CA 3.23Å; A379-V513 WeakPolarHBondContact O-CA 3.48Å; A380-V513 HydrophobicContact CB-CG2 4.03Å; P511-V513 HydrophobicContact CG-CG2 4.45Å
514	L	98.5	Very high	93.7	Very high	27 Å²	27	22.5 Å²	22.5	14%	0.141	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.1	175	177.6	70.4	0	0	0	109.9	F378 A379 L426 I427	F378-L514 CarbonylContact C-O 3.56Å; F378-L514 WeakPolarHBondContact CA-O 3.4Å; A379-L514 PolarHBondContact N-O 2.81Å; A379-L514 PolarHBondContact O-N 3.26Å; L426-L514 HydrophobicContact CB-CD2 4.2Å; L426-L514 WeakPolarHBondContact O-CD2 3.19Å; I427-L514 HydrophobicContact CD1-CB 4Å; I427-L514 HydrophobicContact CG1-CB 3.92Å; I427-L514 HydrophobicContact CG1-CD2 4.5Å
515	W	98.5	Very high	93.6	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.015	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.8	165.5	169.9	78.3	0	0	0	110.7	T277 A278 A282 I283 T286 L316 V320 F378 P517	T277-W515 PolarHBondContact O-N 3.49Å; A278-W515 HydrophobicContact CB-CB 4.37Å; A278-W515 HydrophobicContact CB-CD2 4.36Å; A278-W515 HydrophobicContact CB-CE3 3.57Å; A278-W515 HydrophobicContact CB-CZ3 4.24Å; A282-W515 HydrophobicContact CB-CH2 4.48Å; A282-W515 HydrophobicContact CB-CZ3 3.91Å; I283-W515 HydrophobicContact CB-CZ3 4.49Å; I283-W515 HydrophobicContact CG1-CE3 4.34Å; I283-W515 HydrophobicContact CG1-CH2 3.92Å; I283-W515 HydrophobicContact CG1-CZ3 3.53Å; T286-W515 HydrophobicContact CG2-CZ2 4.42Å; L316-W515 HydrophobicContact CD1-CZ2 4.46Å; L316-W515 HydrophobicContact CD2-CH2 4.32Å; L316-W515 HydrophobicContact CD2-CZ2 4.32Å; V320-W515 HydrophobicContact CB-CG 4.46Å; V320-W515 HydrophobicContact CG1-CB 3.48Å; V320-W515 VanDerWaalsContact CG1-CB 3.48Å; V320-W515 HydrophobicContact CG1-CD2 4.04Å; V320-W515 HydrophobicContact CG1-CG 3.59Å; V320-W515 HydrophobicContact CG2-CD2 3.82Å; V320-W515 HydrophobicContact CG2-CG 3.89Å; V320-W515 HydrophobicContact CG2-CZ2 4.32Å; F378-W515 HydrophobicContact CD1-CB 3.97Å; F378-W515 HydrophobicContact CD1-CG 4.48Å; F378-W515 HydrophobicContact CE1-CB 3.86Å; F378-W515 AromaticContact CE1-CD1 3.59Å; F378-W515 HydrophobicContact CE1-CG 4.05Å; F378-W515 AromaticContact CE2-CD1 3.77Å; F378-W515 AromaticContact CZ-CD1 3.38Å; F378-W515 HydrophobicContact CZ-CG 4.25Å; W515-P517 HydrophobicContact CH2-CB 4.19Å; W515-P517 HydrophobicContact CH2-CG 3.87Å; W515-P517 HydrophobicContact CZ2-CB 3.99Å; W515-P517 HydrophobicContact CZ2-CG 4.14Å; W515-P517 HydrophobicContact CZ3-CG 4.3Å
516	K	96.7	Very high	93.7	Very high	19 Å²	19	17.3 Å²	17.3	8%	0.083	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	122.1	174.1	-177.6	-168	-179.2	-55.3	0	110.5	E376 I377 I389 L426 D523	E376-K516 CarbonylContact C-O 3.5Å; E376-K516 VanDerWaalsContact CA-O 3.3Å; E376-K516 WeakPolarHBondContact CA-O 3.41Å; E376-K516 WeakPolarHBondContact CB-O 3.44Å; I377-K516 HydrophobicContact CD1-CB 4.48Å; I377-K516 HydrophobicContact CD1-CD 4.44Å; I377-K516 HydrophobicContact CG1-CB 3.95Å; I377-K516 PolarHBondContact N-O 3.13Å; I377-K516 PolarHBondContact O-N 3.18Å; I389-K516 HydrophobicContact CD1-CD 4.08Å; L426-K516 HydrophobicContact CD2-CD 3.98Å; K516-D523 IonicContact NZ-OD1 2.86Å; K516-D523 PolarHBondContact NZ-OD1 3.17Å; K516-D523 IonicContact NZ-OD2 3.49Å; K516-D523 PolarHBondContact NZ-OD2 3.03Å
517	P	94.9	Very high	93.7	Very high	24 Å²	24	17.2 Å²	17.2	16%	0.156	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	141.6	167.3	30	-33.2	0	0	0	110.3	A282 T286 W515	A282-P517 HydrophobicContact CB-CG 4.24Å; T286-P517 WeakPolarHBondContact OG1-CB 3.33Å; T286-P517 WeakPolarHBondContact OG1-CG 3.45Å; W515-P517 HydrophobicContact CH2-CB 4.19Å; W515-P517 HydrophobicContact CH2-CG 3.87Å; W515-P517 HydrophobicContact CZ2-CB 3.99Å; W515-P517 HydrophobicContact CZ2-CG 4.14Å; W515-P517 HydrophobicContact CZ3-CG 4.3Å
518	L	91.9	Very high	93.7	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.016	10%	0.103	C	C	.	.			trans	-83.5	133.2	175.7	-66.1	180	0	0	0	110.2	K289 K375 I377 I389 P520 D523 L609 T611	K289-L518 PolarHBondContact NZ-O 3.29Å; K375-L518 WeakPolarHBondContact O-CB 3.39Å; K375-L518 PolarHBondContact O-N 3.21Å; I377-L518 HydrophobicContact CD1-CD2 4.45Å; I377-L518 HydrophobicContact CG1-CD2 4.45Å; I377-L518 HydrophobicContact CG2-CD1 4.08Å; I377-L518 HydrophobicContact CG2-CD2 3.98Å; I377-L518 HydrophobicContact CG2-CG 4.17Å; I389-L518 HydrophobicContact CD1-CD2 3.89Å; L518-P520 WeakPolarHBondContact O-CD 3.25Å; L518-D523 WeakPolarHBondContact CA-OD2 3.47Å; L518-D523 HydrophobicContact CD2-CB 4.11Å; L518-L609 HydrophobicContact CD1-CD1 4.26Å; L518-L609 HydrophobicContact CD1-CD2 4.22Å; L518-L609 HydrophobicContact CD2-CD1 3.81Å; L518-T611 HydrophobicContact CB-CG2 4.37Å
519	S	87.9	Confident	93.8	Very high	52 Å²	52	15.5 Å²	15.5	36%	0.364	9%	0.093	S	C	.	.			trans	-91.8	110	174	-68.6	0	0	0	0	109.4	C522 D523	S519-C522 PolarHBondContact O-N 2.73Å; S519-C522 VanDerWaalsContact O-N 3.08Å; S519-D523 PolarHBondContact N-OD2 3.27Å; S519-D523 PolarHBondContact O-N 2.82Å
520	P	78.6	Confident	93.8	Very high	54 Å²	54	15.3 Å²	15.3	35%	0.351	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	142.2	175.2	-23.1	32.3	0	0	0	110.1	L518 C522	L518-P520 WeakPolarHBondContact O-CD 3.25Å; P520-C522 PolarHBondContact O-N 3.14Å
521	L	72.8	Confident	93.7	Very high	49 Å²	49	15.7 Å²	15.7	26%	0.257	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	-2	-176.3	-49	172.3	0	0	0	114.8	I408 H524	I408-L521 HydrophobicContact CD1-CB 4.29Å; I408-L521 WeakPolarHBondContact CD1-O 3.23Å; L521-H524 PolarHBondContact O-CE1 3.08Å
522	C	87	Confident	93.6	Very high	48 Å²	48	15.7 Å²	15.7	32%	0.324	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-61.1	173.4	-62.6	0	0	0	0	110.1	S391 Y392 S519 P520 H524	S391-C522 CarbonylContact C-O 3.56Å; S391-C522 WeakPolarHBondContact CA-O 3.4Å; Y392-C522 PolarHBondContact N-O 2.84Å; S519-C522 PolarHBondContact O-N 2.73Å; S519-C522 VanDerWaalsContact O-N 3.08Å; P520-C522 PolarHBondContact O-N 3.14Å; C522-H524 PolarHBondContact O-CE1 3.02Å; C522-H524 PolarHBondContact O-N 3.12Å; C522-H524 PolarHBondContact O-ND1 2.97Å
523	D	92.4	Very high	93.6	Very high	5 Å²	5	14.9 Å²	14.9	3%	0.027	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	118.4	-177.5	-64.9	-29.1	0	0	0	110.6	I389 S391 K516 L518 S519 L609 T611	I389-D523 HydrophobicContact CD1-CB 3.71Å; I389-D523 VanDerWaalsContact CD1-CG 3.45Å; I389-D523 HydrophobicContact CG1-CB 4.27Å; S391-D523 PolarHBondContact OG-OD1 2.8Å; K516-D523 IonicContact NZ-OD1 2.86Å; K516-D523 PolarHBondContact NZ-OD1 3.17Å; K516-D523 IonicContact NZ-OD2 3.49Å; K516-D523 PolarHBondContact NZ-OD2 3.03Å; L518-D523 WeakPolarHBondContact CA-OD2 3.47Å; L518-D523 HydrophobicContact CD2-CB 4.11Å; S519-D523 PolarHBondContact N-OD2 3.27Å; S519-D523 PolarHBondContact O-N 2.82Å; D523-L609 HydrophobicContact CB-CD1 4.07Å; D523-T611 VanDerWaalsContact O-CB 3.28Å; D523-T611 WeakPolarHBondContact O-CB 3.4Å; D523-T611 PolarHBondContact O-OG1 3.29Å
524	H	91.6	Very high	93.5	Very high	2 Å²	2	17 Å²	17	1%	0.009	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	-40.6	-174.9	-77.6	66.8	0	0	0	113.9	G390 I408 W421 L521 C522 L609 A612	G390-H524 PolarHBondContact O-N 2.89Å; I408-H524 WeakPolarHBondContact CD1-CE1 3.2Å; I408-H524 VanDerWaalsContact CD1-NE2 3.3Å; I408-H524 WeakPolarHBondContact CD1-NE2 3.19Å; W421-H524 HydrophobicContact CH2-CB 4.15Å; W421-H524 AromaticContact CH2-CG 3.81Å; W421-H524 HydrophobicContact CZ3-CB 3.97Å; W421-H524 AromaticContact CZ3-CG 3.97Å; L521-H524 PolarHBondContact O-CE1 3.08Å; C522-H524 PolarHBondContact O-CE1 3.02Å; C522-H524 PolarHBondContact O-N 3.12Å; C522-H524 PolarHBondContact O-ND1 2.97Å; H524-L609 WeakPolarHBondContact O-CB 3.3Å; H524-L609 PolarHBondContact O-N 3.2Å; H524-A612 HydrophobicContact CB-CB 4.03Å; H524-A612 WeakPolarHBondContact O-CB 3.21Å
525	F	95.8	Very high	93.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	159	-174.7	54.4	-99.8	0	0	0	112.2	I389 G390 W421 I527 V543 V546 A547 V607 Y608	I389-F525 WeakPolarHBondContact CA-O 3.2Å; G390-F525 PolarHBondContact N-O 3.29Å; G390-F525 PolarHBondContact O-N 3.43Å; W421-F525 HydrophobicContact CE3-CE1 4.07Å; W421-F525 HydrophobicContact CE3-CZ 4.3Å; W421-F525 HydrophobicContact CH2-CE1 4.16Å; W421-F525 HydrophobicContact CZ3-CD1 4.34Å; W421-F525 AromaticContact CZ3-CE1 3.53Å; W421-F525 HydrophobicContact CZ3-CE1 3.53Å; W421-F525 HydrophobicContact CZ3-CZ 4.2Å; F525-I527 HydrophobicContact CD2-CD1 4.34Å; F525-I527 HydrophobicContact CD2-CG1 4.04Å; F525-I527 HydrophobicContact CE2-CD1 3.99Å; F525-I527 HydrophobicContact CE2-CG1 4.2Å; F525-V543 HydrophobicContact CE2-CB 4.42Å; F525-V543 HydrophobicContact CE2-CG1 4.34Å; F525-V543 HydrophobicContact CE2-CG2 4.11Å; F525-V543 HydrophobicContact CZ-CB 4.45Å; F525-V543 HydrophobicContact CZ-CG1 3.96Å; F525-V543 WeakPolarHBondContact CZ-O 3.36Å; F525-V546 HydrophobicContact CB-CG1 4.34Å; F525-V546 HydrophobicContact CD1-CG1 3.77Å; F525-V546 HydrophobicContact CD2-CB 3.98Å; F525-V546 HydrophobicContact CD2-CG1 3.45Å; F525-V546 VanDerWaalsContact CD2-CG1 3.45Å; F525-V546 HydrophobicContact CE1-CB 4.25Å; F525-V546 HydrophobicContact CE1-CG1 3.84Å; F525-V546 HydrophobicContact CE2-CB 3.52Å; F525-V546 HydrophobicContact CE2-CG1 3.51Å; F525-V546 HydrophobicContact CE2-CG2 4.34Å; F525-V546 HydrophobicContact CG-CG1 3.58Å; F525-V546 HydrophobicContact CZ-CB 3.68Å; F525-V546 HydrophobicContact CZ-CG1 3.71Å; F525-A547 HydrophobicContact CE1-CB 4.16Å; F525-A547 HydrophobicContact CZ-CB 4.14Å; F525-V607 CarbonylContact C-O 3.49Å; F525-V607 WeakPolarHBondContact CA-O 3.39Å; F525-V607 VanDerWaalsContact CB-O 3.31Å; F525-V607 WeakPolarHBondContact CB-O 3.18Å; F525-Y608 HydrophobicContact CB-CD1 3.99Å; F525-Y608 HydrophobicContact CB-CE1 4.28Å; F525-Y608 HydrophobicContact CD1-CE1 4.29Å
526	L	97.8	Very high	93.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140.4	172.6	-65.3	165.5	0	0	0	109.5	V368 I370 I377 V388 I389 L426 L528 V606 V607 L609	V368-L526 HydrophobicContact CG1-CD1 3.87Å; I370-L526 HydrophobicContact CD1-CD1 4.08Å; I377-L526 HydrophobicContact CD1-CD1 4.35Å; I377-L526 HydrophobicContact CD1-CD2 3.74Å; I377-L526 HydrophobicContact CG2-CD1 4.38Å; V388-L526 CarbonylContact O-C 3.38Å; V388-L526 WeakPolarHBondContact O-CA 3.5Å; I389-L526 HydrophobicContact CB-CD2 3.84Å; I389-L526 HydrophobicContact CD1-CD2 4.1Å; I389-L526 HydrophobicContact CG1-CD2 3.84Å; L426-L526 HydrophobicContact CD1-CD2 4.31Å; L526-L528 HydrophobicContact CB-CD1 4.16Å; L526-V606 CarbonylContact O-C 3.56Å; L526-V606 WeakPolarHBondContact O-CA 3.47Å; L526-V607 HydrophobicContact CB-CB 4.31Å; L526-V607 PolarHBondContact N-O 2.89Å; L526-V607 PolarHBondContact O-N 3.33Å; L526-L609 HydrophobicContact CD1-CD2 3.76Å; L526-L609 HydrophobicContact CG-CD1 4.3Å; L526-L609 HydrophobicContact CG-CD2 4.08Å; L526-L609 HydrophobicContact CG-CG 4.34Å
527	I	98.7	Very high	93	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	114.1	171.5	-52.9	173.7	0	0	0	106.8	A387 V388 F525 L533 W534 A542 V543 V546 L569 V604 I605	A387-I527 CarbonylContact C-O 3.56Å; A387-I527 VanDerWaalsContact CA-O 3.32Å; A387-I527 WeakPolarHBondContact CA-O 3.33Å; V388-I527 PolarHBondContact N-O 3.29Å; V388-I527 PolarHBondContact O-N 2.95Å; F525-I527 HydrophobicContact CD2-CD1 4.34Å; F525-I527 HydrophobicContact CD2-CG1 4.04Å; F525-I527 HydrophobicContact CE2-CD1 3.99Å; F525-I527 HydrophobicContact CE2-CG1 4.2Å; I527-L533 HydrophobicContact CG2-CD2 4.27Å; I527-W534 HydrophobicContact CB-CH2 4.13Å; I527-W534 HydrophobicContact CG2-CH2 3.68Å; I527-W534 HydrophobicContact CG2-CZ2 4.1Å; I527-A542 HydrophobicContact CD1-CB 3.95Å; I527-V543 HydrophobicContact CD1-CG2 4.27Å; I527-V546 HydrophobicContact CD1-CB 4.27Å; I527-V546 HydrophobicContact CD1-CG2 3.57Å; I527-V546 HydrophobicContact CG1-CG2 3.99Å; I527-L569 HydrophobicContact CD1-CD1 4.34Å; I527-L569 HydrophobicContact CG2-CD1 3.75Å; I527-V604 HydrophobicContact CG2-CG1 4.19Å; I527-I605 WeakPolarHBondContact CA-O 3.29Å
528	L	98.8	Very high	93.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132	167.6	-70.8	72.6	0	0	0	107.6	F121 V123 V368 G386 A387 L526 V604 I605	F121-L528 HydrophobicContact CB-CD2 3.97Å; F121-L528 WeakPolarHBondContact O-CD2 3.43Å; V123-L528 HydrophobicContact CG1-CB 3.79Å; V123-L528 HydrophobicContact CG2-CB 4.04Å; V368-L528 HydrophobicContact CB-CD1 4.45Å; V368-L528 HydrophobicContact CB-CD2 4.33Å; V368-L528 HydrophobicContact CG2-CD1 4.02Å; V368-L528 HydrophobicContact CG2-CD2 4Å; V368-L528 HydrophobicContact CG2-CG 4.12Å; G386-L528 WeakPolarHBondContact O-CA 3.27Å; A387-L528 HydrophobicContact CB-CG 4.21Å; L526-L528 HydrophobicContact CB-CD1 4.16Å; L528-V604 CarbonylContact O-C 3.52Å; L528-V604 WeakPolarHBondContact O-CA 3.47Å; L528-I605 HydrophobicContact CB-CB 4.31Å; L528-I605 PolarHBondContact N-O 3.05Å; L528-I605 PolarHBondContact O-N 2.9Å
529	G	98.4	Very high	93.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149.7	-179.5	0	0	0	0	0	112.6	G386 W534 T603	G386-G529 PolarHBondContact N-O 3.38Å; G386-G529 PolarHBondContact O-N 3.25Å; G529-W534 VanDerWaalsContact C-NE1 3.33Å; G529-W534 PolarHBondContact O-NE1 2.96Å; G529-T603 WeakPolarHBondContact CA-O 3.26Å
530	T	98	Very high	93.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.129	C	C	.	.			trans	-74.3	166.2	166	54.4	0	0	0	0	110.8	D86 V123 D125 G532 L533 W534 T603	D86-T530 HydrophobicContact CB-CG2 4.42Å; D86-T530 WeakPolarHBondContact OD2-CB 3.47Å; D86-T530 WeakPolarHBondContact OD2-CG2 3.45Å; D86-T530 PolarHBondContact OD2-OG1 3.09Å; V123-T530 HydrophobicContact CB-CG2 4.33Å; D125-T530 HydrophobicContact CB-CG2 3.77Å; T530-G532 PolarHBondContact O-N 3.12Å; T530-L533 WeakPolarHBondContact O-CB 3.25Å; T530-L533 PolarHBondContact O-N 3.38Å; T530-W534 PolarHBondContact O-N 2.96Å; T530-T603 PolarHBondContact N-O 3.36Å; T530-T603 VanDerWaalsContact N-O 3.1Å; T530-T603 PolarHBondContact OG1-N 3Å
531	D	95.8	Very high	94.7	Very high	25 Å²	25	22.2 Å²	22.2	13%	0.134	13%	0.127	C	C	.	.	H	α-helix	trans	-55	-37.4	179.8	69.9	-25.4	0	0	0	111.6	L533 W534 D535	D531-L533 CarbonylContact O-C 3.44Å; D531-L533 PolarHBondContact O-N 2.87Å; D531-W534 PolarHBondContact O-N 3.15Å; D531-D535 WeakPolarHBondContact O-CB 3.46Å; D531-D535 PolarHBondContact O-N 2.92Å
532	G	95.2	Very high	95.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-56.8	-25.7	176.2	0	0	0	0	0	114.6	T530 M536 D601 I602	T530-G532 PolarHBondContact O-N 3.12Å; G532-M536 VanDerWaalsContact O-CG 3.28Å; G532-M536 WeakPolarHBondContact O-CG 3.45Å; G532-D601 WeakPolarHBondContact CA-O 3.49Å; G532-I602 WeakPolarHBondContact O-CD1 3.48Å; G532-I602 WeakPolarHBondContact O-CG1 3.29Å
533	L	97.4	Very high	96.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-74.3	-60.4	166.8	-179.5	70.4	0	0	0	110.6	I527 T530 D531 D535 M536 I537 L569 A573 I602 V604	I527-L533 HydrophobicContact CG2-CD2 4.27Å; T530-L533 WeakPolarHBondContact O-CB 3.25Å; T530-L533 PolarHBondContact O-N 3.38Å; D531-L533 CarbonylContact O-C 3.44Å; D531-L533 PolarHBondContact O-N 2.87Å; L533-D535 PolarHBondContact O-N 2.99Å; L533-D535 VanDerWaalsContact O-N 3.16Å; L533-M536 PolarHBondContact O-N 3Å; L533-I537 HydrophobicContact CD1-CG2 3.74Å; L533-I537 HydrophobicContact CG-CG2 3.89Å; L533-I537 WeakPolarHBondContact O-CG2 3.36Å; L533-I537 PolarHBondContact O-N 3.43Å; L533-I537 VanDerWaalsContact O-N 3.11Å; L533-L569 HydrophobicContact CD1-CB 4.29Å; L533-A573 HydrophobicContact CD1-CB 4.04Å; L533-I602 HydrophobicContact CB-CG2 3.96Å; L533-I602 HydrophobicContact CD1-CG2 4.22Å; L533-V604 HydrophobicContact CB-CG2 4.32Å; L533-V604 HydrophobicContact CD1-CG2 3.94Å; L533-V604 HydrophobicContact CD2-CG1 4.21Å; L533-V604 HydrophobicContact CD2-CG2 3.83Å; L533-V604 HydrophobicContact CG-CG2 4.23Å
534	W	97.2	Very high	96.7	Very high	44 Å²	44	19 Å²	19	17%	0.167	11%	0.106	C	C	.	.	H	α-helix	trans	-64.7	-22.7	-169.4	-58.4	121.2	0	0	0	113.9	G386 V388 I527 G529 T530 D531 M536 I537 P539 A542	G386-W534 PolarHBondContact O-NE1 2.92Å; V388-W534 HydrophobicContact CB-CH2 3.94Å; V388-W534 HydrophobicContact CG2-CH2 3.43Å; V388-W534 VanDerWaalsContact CG2-CH2 3.43Å; V388-W534 HydrophobicContact CG2-CZ2 3.93Å; V388-W534 HydrophobicContact CG2-CZ3 3.86Å; I527-W534 HydrophobicContact CB-CH2 4.13Å; I527-W534 HydrophobicContact CG2-CH2 3.68Å; I527-W534 HydrophobicContact CG2-CZ2 4.1Å; G529-W534 VanDerWaalsContact C-NE1 3.33Å; G529-W534 PolarHBondContact O-NE1 2.96Å; T530-W534 PolarHBondContact O-N 2.96Å; D531-W534 PolarHBondContact O-N 3.15Å; W534-M536 VanDerWaalsContact C-N 3.28Å; W534-I537 VanDerWaalsContact O-O 3.13Å; W534-P539 HydrophobicContact CE3-CG 4.42Å; W534-P539 HydrophobicContact CZ3-CG 4.46Å; W534-A542 HydrophobicContact CH2-CB 4.5Å; W534-A542 HydrophobicContact CZ3-CB 3.91Å
535	D	93.4	Very high	97	Very high	55 Å²	55	19.8 Å²	19.8	29%	0.294	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-28.9	172.1	-79.9	-29.9	0	0	0	113.4	R31 D531 L533	R31-D535 WeakPolarHBondContact CD-O 3.39Å; R31-D535 IonicContact CZ-OD1 3.61Å; R31-D535 IonicContact CZ-OD2 3.78Å; R31-D535 IonicContact NE-OD2 3.14Å; R31-D535 VanDerWaalsContact NH1-CB 3.29Å; R31-D535 IonicContact NH1-OD1 3.66Å; R31-D535 PolarHBondContact NH1-OD1 3.46Å; R31-D535 IonicContact NH1-OD2 2.73Å; R31-D535 PolarHBondContact NH1-OD2 3.29Å; R31-D535 IonicContact NH2-OD2 3.78Å; R31-D535 PolarHBondContact NH2-OD2 3.32Å; D531-D535 WeakPolarHBondContact O-CB 3.46Å; D531-D535 PolarHBondContact O-N 2.92Å; L533-D535 PolarHBondContact O-N 2.99Å; L533-D535 VanDerWaalsContact O-N 3.16Å
536	M	94.3	Very high	97.1	Very high	35 Å²	35	19.8 Å²	19.8	17%	0.172	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-24.6	-173.5	-62	-61.3	-64.8	0	0	112.7	R31 G532 L533 W534 A573 L574	R31-M536 HydrophobicContact CB-SD 4.41Å; R31-M536 HydrophobicContact CG-SD 3.94Å; G532-M536 VanDerWaalsContact O-CG 3.28Å; G532-M536 WeakPolarHBondContact O-CG 3.45Å; L533-M536 PolarHBondContact O-N 3Å; W534-M536 VanDerWaalsContact C-N 3.28Å; M536-A573 HydrophobicContact CB-CB 3.74Å; M536-A573 WeakPolarHBondContact CB-O 3.28Å; M536-A573 VanDerWaalsContact CE-O 3.23Å; M536-A573 WeakPolarHBondContact CE-O 3.2Å; M536-L574 HydrophobicContact CE-CD2 4.35Å
537	I	95.3	Very high	97	Very high	6 Å²	6	19.8 Å²	19.8	3%	0.031	11%	0.111	C	C	.	.	S	Bend	trans	-140.7	137.7	-177.4	-167.4	173.5	0	0	0	110.8	L533 W534 E541 A542 V545 L569 T572 A573	L533-I537 HydrophobicContact CD1-CG2 3.74Å; L533-I537 HydrophobicContact CG-CG2 3.89Å; L533-I537 WeakPolarHBondContact O-CG2 3.36Å; L533-I537 PolarHBondContact O-N 3.43Å; L533-I537 VanDerWaalsContact O-N 3.11Å; W534-I537 VanDerWaalsContact O-O 3.13Å; I537-E541 HydrophobicContact CD1-CB 3.79Å; I537-E541 HydrophobicContact CG1-CB 3.37Å; I537-E541 HydrophobicContact CG1-CG 4.47Å; I537-A542 HydrophobicContact CD1-CB 4.27Å; I537-A542 HydrophobicContact CG2-CB 4.37Å; I537-V545 HydrophobicContact CD1-CG2 4.24Å; I537-L569 HydrophobicContact CD1-CD2 4.45Å; I537-T572 HydrophobicContact CD1-CG2 3.57Å; I537-A573 HydrophobicContact CG2-CB 4.45Å
538	S	96.3	Very high	96.8	Very high	38 Å²	38	25.3 Å²	25.3	27%	0.266	13%	0.132	S	C	.	.			trans	-72.5	155.2	175.1	65.4	0	0	0	0	112	A540 E541 A542	S538-A540 PolarHBondContact O-N 3.32Å; S538-E541 VanDerWaalsContact CB-OE2 3.32Å; S538-E541 WeakPolarHBondContact CB-OE2 3.42Å; S538-E541 PolarHBondContact N-OE2 3.16Å; S538-E541 PolarHBondContact O-N 3.01Å; S538-E541 VanDerWaalsContact O-N 3.13Å; S538-E541 WeakPolarHBondContact OG-CB 3.35Å; S538-E541 VanDerWaalsContact OG-CD 3.22Å; S538-E541 VanDerWaalsContact OG-CG 3.27Å; S538-E541 WeakPolarHBondContact OG-CG 3.42Å; S538-E541 PolarHBondContact OG-N 2.82Å; S538-E541 PolarHBondContact OG-OE2 3.19Å; S538-A542 PolarHBondContact O-N 2.9Å
539	P	97.8	Very high	96.6	Very high	46 Å²	46	25.4 Å²	25.4	30%	0.299	13%	0.132	S	C	.	.	H	α-helix	trans	-50.5	-40.4	173	-32.1	38	0	0	0	114.1	V388 A423 W534 A542 V543	V388-P539 HydrophobicContact CG1-CB 4.19Å; V388-P539 HydrophobicContact CG2-CB 3.9Å; V388-P539 HydrophobicContact CG2-CG 4.24Å; A423-P539 HydrophobicContact CB-CB 4.08Å; A423-P539 WeakPolarHBondContact CB-O 3.36Å; W534-P539 HydrophobicContact CE3-CG 4.42Å; W534-P539 HydrophobicContact CZ3-CG 4.46Å; P539-A542 PolarHBondContact O-N 2.88Å; P539-V543 WeakPolarHBondContact O-CG2 3.32Å; P539-V543 PolarHBondContact O-N 2.78Å
540	A	96.9	Very high	96.4	Very high	45 Å²	45	25.4 Å²	25.4	37%	0.372	13%	0.132	S	C	.	.	H	α-helix	trans	-65.1	-47.9	178	0	0	0	0	0	112	A423 S538 A542 V543 H544	A423-A540 HydrophobicContact CB-CB 4.48Å; S538-A540 PolarHBondContact O-N 3.32Å; A540-A542 VanDerWaalsContact C-N 3.32Å; A540-A542 PolarHBondContact O-N 2.77Å; A540-V543 PolarHBondContact O-N 2.93Å; A540-H544 PolarHBondContact O-CE1 3.04Å; A540-H544 VanDerWaalsContact O-CG 3.23Å; A540-H544 PolarHBondContact O-N 3.02Å; A540-H544 PolarHBondContact O-ND1 3.03Å
541	E	97.3	Very high	96.1	Very high	68 Å²	68	25.9 Å²	25.9	32%	0.318	13%	0.134	S	C	.	.	H	α-helix	trans	-60.6	-41.6	175.4	-72.1	161.9	145.4	0	0	111.6	I537 S538 V543 H544 V545	I537-E541 HydrophobicContact CD1-CB 3.79Å; I537-E541 HydrophobicContact CG1-CB 3.37Å; I537-E541 HydrophobicContact CG1-CG 4.47Å; S538-E541 VanDerWaalsContact CB-OE2 3.32Å; S538-E541 WeakPolarHBondContact CB-OE2 3.42Å; S538-E541 PolarHBondContact N-OE2 3.16Å; S538-E541 PolarHBondContact O-N 3.01Å; S538-E541 VanDerWaalsContact O-N 3.13Å; S538-E541 WeakPolarHBondContact OG-CB 3.35Å; S538-E541 VanDerWaalsContact OG-CD 3.22Å; S538-E541 VanDerWaalsContact OG-CG 3.27Å; S538-E541 WeakPolarHBondContact OG-CG 3.42Å; S538-E541 PolarHBondContact OG-N 2.82Å; S538-E541 PolarHBondContact OG-OE2 3.19Å; E541-V543 PolarHBondContact O-N 3.12Å; E541-H544 PolarHBondContact O-N 3.12Å; E541-V545 WeakPolarHBondContact O-CG2 3.26Å; E541-V545 PolarHBondContact O-N 3.22Å
542	A	98.4	Very high	96	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.9	-44.7	176.7	0	0	0	0	0	112.2	I527 W534 I537 S538 P539 A540 H544 V545 V546 L569	I527-A542 HydrophobicContact CD1-CB 3.95Å; W534-A542 HydrophobicContact CH2-CB 4.5Å; W534-A542 HydrophobicContact CZ3-CB 3.91Å; I537-A542 HydrophobicContact CD1-CB 4.27Å; I537-A542 HydrophobicContact CG2-CB 4.37Å; S538-A542 PolarHBondContact O-N 2.9Å; P539-A542 PolarHBondContact O-N 2.88Å; A540-A542 VanDerWaalsContact C-N 3.32Å; A540-A542 PolarHBondContact O-N 2.77Å; A542-H544 VanDerWaalsContact C-N 3.35Å; A542-H544 PolarHBondContact O-N 2.9Å; A542-V545 PolarHBondContact O-N 2.84Å; A542-V546 WeakPolarHBondContact O-CG2 3.41Å; A542-V546 PolarHBondContact O-N 2.9Å; A542-V546 VanDerWaalsContact O-N 3.12Å; A542-L569 HydrophobicContact CB-CD2 3.66Å
543	V	98.3	Very high	95.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-61.4	-42.3	175.1	164.4	0	0	0	0	111.5	V388 W421 A423 F525 I527 P539 A540 E541 V545 V546 A547	V388-V543 HydrophobicContact CG1-CG2 3.85Å; W421-V543 HydrophobicContact CB-CG1 4.02Å; W421-V543 HydrophobicContact CE3-CG1 4.41Å; A423-V543 HydrophobicContact CB-CB 3.97Å; A423-V543 HydrophobicContact CB-CG2 3.49Å; A423-V543 VanDerWaalsContact CB-CG2 3.49Å; F525-V543 HydrophobicContact CE2-CB 4.42Å; F525-V543 HydrophobicContact CE2-CG1 4.34Å; F525-V543 HydrophobicContact CE2-CG2 4.11Å; F525-V543 HydrophobicContact CZ-CB 4.45Å; F525-V543 HydrophobicContact CZ-CG1 3.96Å; F525-V543 WeakPolarHBondContact CZ-O 3.36Å; I527-V543 HydrophobicContact CD1-CG2 4.27Å; P539-V543 WeakPolarHBondContact O-CG2 3.32Å; P539-V543 PolarHBondContact O-N 2.78Å; A540-V543 PolarHBondContact O-N 2.93Å; E541-V543 PolarHBondContact O-N 3.12Å; V543-V545 VanDerWaalsContact C-N 3.32Å; V543-V545 PolarHBondContact O-N 2.64Å; V543-V546 PolarHBondContact O-N 3.08Å; V543-A547 WeakPolarHBondContact O-CB 3.43Å; V543-A547 PolarHBondContact O-N 3.04Å
544	H	97.4	Very high	95.4	Very high	33 Å²	33	37.7 Å²	37.7	15%	0.153	19%	0.186	C	C	.	.	H	α-helix	trans	-61.1	-39.5	176.2	-62.5	135.8	0	0	0	112.7	Y416 K418 A540 E541 A542 R548	Y416-H544 WeakPolarHBondContact OH-CB 3.39Å; Y416-H544 PolarHBondContact OH-CD2 3.18Å; Y416-H544 VanDerWaalsContact OH-CD2 3.3Å; K418-H544 WeakPolarHBondContact CE-CE1 3.35Å; K418-H544 VanDerWaalsContact CE-ND1 3.34Å; K418-H544 WeakPolarHBondContact CE-ND1 3.4Å; K418-H544 VanDerWaalsContact CG-CD2 3.49Å; K418-H544 WeakPolarHBondContact CG-CD2 3.39Å; K418-H544 VanDerWaalsContact CG-NE2 3.28Å; K418-H544 WeakPolarHBondContact CG-NE2 3.32Å; K418-H544 PolarHBondContact O-NE2 2.93Å; A540-H544 PolarHBondContact O-CE1 3.04Å; A540-H544 VanDerWaalsContact O-CG 3.23Å; A540-H544 PolarHBondContact O-N 3.02Å; A540-H544 PolarHBondContact O-ND1 3.03Å; E541-H544 PolarHBondContact O-N 3.12Å; A542-H544 VanDerWaalsContact C-N 3.35Å; A542-H544 PolarHBondContact O-N 2.9Å; H544-R548 WeakPolarHBondContact O-CB 3.42Å; H544-R548 PolarHBondContact O-N 2.92Å
545	V	97.9	Very high	94.9	Very high	19 Å²	19	36.1 Å²	36.1	12%	0.115	18%	0.184	C	C	.	.	H	α-helix	trans	-61.1	-48.2	176.4	171.4	0	0	0	0	111	I537 E541 A542 V543 H549 R568 L569 T572	I537-V545 HydrophobicContact CD1-CG2 4.24Å; E541-V545 WeakPolarHBondContact O-CG2 3.26Å; E541-V545 PolarHBondContact O-N 3.22Å; A542-V545 PolarHBondContact O-N 2.84Å; V543-V545 VanDerWaalsContact C-N 3.32Å; V543-V545 PolarHBondContact O-N 2.64Å; V545-H549 WeakPolarHBondContact O-CB 3.44Å; V545-H549 PolarHBondContact O-N 3.15Å; V545-R568 HydrophobicContact CG1-CB 3.61Å; V545-L569 HydrophobicContact CB-CD2 3.91Å; V545-L569 HydrophobicContact CG1-CD2 3.95Å; V545-L569 HydrophobicContact CG1-CG 4.11Å; V545-L569 HydrophobicContact CG2-CD2 4.49Å; V545-T572 HydrophobicContact CG2-CG2 3.79Å
546	V	97.7	Very high	94.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-72.5	-39.4	-177.5	179.8	0	0	0	0	112.1	F525 I527 A542 V543 H549 W550 A565 L569 V606 Y608	F525-V546 HydrophobicContact CB-CG1 4.34Å; F525-V546 HydrophobicContact CD1-CG1 3.77Å; F525-V546 HydrophobicContact CD2-CB 3.98Å; F525-V546 HydrophobicContact CD2-CG1 3.45Å; F525-V546 VanDerWaalsContact CD2-CG1 3.45Å; F525-V546 HydrophobicContact CE1-CB 4.25Å; F525-V546 HydrophobicContact CE1-CG1 3.84Å; F525-V546 HydrophobicContact CE2-CB 3.52Å; F525-V546 HydrophobicContact CE2-CG1 3.51Å; F525-V546 HydrophobicContact CE2-CG2 4.34Å; F525-V546 HydrophobicContact CG-CG1 3.58Å; F525-V546 HydrophobicContact CZ-CB 3.68Å; F525-V546 HydrophobicContact CZ-CG1 3.71Å; I527-V546 HydrophobicContact CD1-CB 4.27Å; I527-V546 HydrophobicContact CD1-CG2 3.57Å; I527-V546 HydrophobicContact CG1-CG2 3.99Å; A542-V546 WeakPolarHBondContact O-CG2 3.41Å; A542-V546 PolarHBondContact O-N 2.9Å; A542-V546 VanDerWaalsContact O-N 3.12Å; V543-V546 PolarHBondContact O-N 3.08Å; V546-H549 WeakPolarHBondContact O-CB 3.49Å; V546-H549 PolarHBondContact O-N 2.75Å; V546-W550 PolarHBondContact O-N 3.22Å; V546-A565 HydrophobicContact CG1-CB 4.2Å; V546-A565 HydrophobicContact CG2-CB 4.23Å; V546-L569 HydrophobicContact CG2-CD1 3.73Å; V546-L569 HydrophobicContact CG2-CD2 4.17Å; V546-L569 HydrophobicContact CG2-CG 4.01Å; V546-V606 HydrophobicContact CG1-CG1 3.62Å; V546-V606 HydrophobicContact CG2-CG1 4.22Å; V546-V606 HydrophobicContact CG2-CG2 4.14Å; V546-Y608 HydrophobicContact CG1-CE1 4.13Å
547	A	95.9	Very high	94.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-48.6	173.7	0	0	0	0	0	110.5	Y416 W421 F525 V543 H549 W550 Y551	Y416-A547 HydrophobicContact CD2-CB 4.42Å; Y416-A547 HydrophobicContact CE2-CB 3.81Å; W421-A547 HydrophobicContact CD2-CB 3.45Å; W421-A547 VanDerWaalsContact CD2-CB 3.45Å; W421-A547 HydrophobicContact CE3-CB 3.79Å; W421-A547 HydrophobicContact CG-CB 3.83Å; W421-A547 HydrophobicContact CH2-CB 4.28Å; W421-A547 HydrophobicContact CZ2-CB 4Å; W421-A547 HydrophobicContact CZ3-CB 4.19Å; F525-A547 HydrophobicContact CE1-CB 4.16Å; F525-A547 HydrophobicContact CZ-CB 4.14Å; V543-A547 WeakPolarHBondContact O-CB 3.43Å; V543-A547 PolarHBondContact O-N 3.04Å; A547-H549 VanDerWaalsContact C-N 3.32Å; A547-H549 PolarHBondContact O-N 2.92Å; A547-W550 WeakPolarHBondContact O-CB 3.47Å; A547-W550 PolarHBondContact O-N 2.73Å; A547-W550 VanDerWaalsContact O-N 3.09Å; A547-Y551 WeakPolarHBondContact O-CD2 3.45Å; A547-Y551 PolarHBondContact O-N 2.92Å; A547-Y551 VanDerWaalsContact O-N 3.08Å
548	R	95.4	Very high	93.6	Very high	117 Å²	117	35.7 Å²	35.7	44%	0.442	19%	0.185	S	C	.	.	H	α-helix	trans	-59.8	-42.7	176.8	-175.8	65.4	-168.1	-160.1	-3.2	112	H544 W550 Y551 D552	H544-R548 WeakPolarHBondContact O-CB 3.42Å; H544-R548 PolarHBondContact O-N 2.92Å; R548-W550 VanDerWaalsContact C-N 3.32Å; R548-W550 PolarHBondContact O-N 2.88Å; R548-Y551 PolarHBondContact O-N 3.19Å; R548-D552 IonicContact CZ-OD1 3.96Å; R548-D552 IonicContact NE-OD1 3.9Å; R548-D552 PolarHBondContact NE-OD1 3.13Å; R548-D552 IonicContact NH2-OD1 2.83Å; R548-D552 VanDerWaalsContact O-CG 3.25Å; R548-D552 PolarHBondContact O-N 3.25Å
549	H	95.1	Very high	92.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-57	-44.5	173.4	174.1	-82.1	0	0	0	112.1	V545 V546 A547 Y551 D552 Y553 D563 A565 Y608	V545-H549 WeakPolarHBondContact O-CB 3.44Å; V545-H549 PolarHBondContact O-N 3.15Å; V546-H549 WeakPolarHBondContact O-CB 3.49Å; V546-H549 PolarHBondContact O-N 2.75Å; A547-H549 VanDerWaalsContact C-N 3.32Å; A547-H549 PolarHBondContact O-N 2.92Å; H549-Y551 VanDerWaalsContact C-N 3.31Å; H549-Y551 PolarHBondContact O-N 2.81Å; H549-D552 PolarHBondContact O-N 3.35Å; H549-Y553 AromaticContact CD2-CD2 3.75Å; H549-Y553 AromaticContact CD2-CE2 3.55Å; H549-Y553 AromaticContact CE1-CD2 3.64Å; H549-Y553 AromaticContact ND1-CD2 3.99Å; H549-Y553 AromaticContact NE2-CD2 3.5Å; H549-Y553 AromaticContact NE2-CE2 3.38Å; H549-Y553 WeakPolarHBondContact NE2-CE2 3.45Å; H549-Y553 VanDerWaalsContact O-CD2 3.31Å; H549-Y553 WeakPolarHBondContact O-CD2 3.35Å; H549-Y553 PolarHBondContact O-N 2.93Å; H549-Y553 VanDerWaalsContact O-N 3.16Å; H549-D563 PolarHBondContact CD2-O 3.11Å; H549-D563 PolarHBondContact NE2-O 3.32Å; H549-A565 HydrophobicContact CB-CB 4.38Å; H549-A565 PolarHBondContact CD2-N 3.02Å; H549-A565 PolarHBondContact NE2-N 3.45Å; H549-Y608 AromaticContact ND1-CZ 3.94Å; H549-Y608 PolarHBondContact ND1-OH 2.85Å
550	W	92.8	Very high	91.9	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-41.2	177.3	-174.2	81.7	0	0	0	112.4	I408 V546 A547 R548 Y553 K554 G555 Y608	I408-W550 HydrophobicContact CB-CH2 3.98Å; I408-W550 HydrophobicContact CB-CZ3 4.47Å; I408-W550 HydrophobicContact CG2-CH2 4.15Å; I408-W550 HydrophobicContact CG2-CZ3 4.13Å; V546-W550 PolarHBondContact O-N 3.22Å; A547-W550 WeakPolarHBondContact O-CB 3.47Å; A547-W550 PolarHBondContact O-N 2.73Å; A547-W550 VanDerWaalsContact O-N 3.09Å; R548-W550 VanDerWaalsContact C-N 3.32Å; R548-W550 PolarHBondContact O-N 2.88Å; W550-Y553 CarbonylContact O-C 3.54Å; W550-K554 PolarHBondContact O-N 3.15Å; W550-G555 VanDerWaalsContact CE2-CA 3.45Å; W550-G555 PolarHBondContact NE1-O 3.15Å; W550-G555 PolarHBondContact O-N 2.76Å; W550-Y608 HydrophobicContact CB-CE1 4.06Å; W550-Y608 AromaticContact CD1-CD1 3.85Å; W550-Y608 AromaticContact CD1-CE1 3.64Å; W550-Y608 HydrophobicContact CG-CE1 4.19Å
551	Y	93	Very high	90.8	Very high	10 Å²	10	39.5 Å²	39.5	4%	0.039	21%	0.209	C	C	.	.	H	α-helix	trans	-66.7	-44.8	174.2	-85.7	-83.1	0	0	0	113.6	Y409 T412 E415 Y416 W421 A547 R548 H549 Y553 K554	Y409-Y551 AromaticContact CD2-CD1 3.72Å; Y409-Y551 HydrophobicContact CD2-CD1 3.72Å; Y409-Y551 HydrophobicContact CD2-CE1 4.11Å; Y409-Y551 HydrophobicContact CE2-CD1 4.02Å; Y409-Y551 WeakPolarHBondContact CE2-O 3.32Å; T412-Y551 WeakPolarHBondContact CG2-OH 3.3Å; T412-Y551 VanDerWaalsContact OG1-CE1 3.27Å; T412-Y551 WeakPolarHBondContact OG1-CE1 3.4Å; T412-Y551 PolarHBondContact OG1-OH 3.07Å; T412-Y551 VanDerWaalsContact OG1-OH 3.1Å; E415-Y551 VanDerWaalsContact O-CE1 3.32Å; E415-Y551 WeakPolarHBondContact O-CE1 3.29Å; Y416-Y551 AromaticContact CD2-CD2 3.63Å; Y416-Y551 HydrophobicContact CD2-CD2 3.63Å; Y416-Y551 AromaticContact CD2-CE2 3.85Å; Y416-Y551 HydrophobicContact CD2-CE2 3.85Å; Y416-Y551 HydrophobicContact CD2-CG 4.46Å; Y416-Y551 HydrophobicContact CG-CD2 4.15Å; W421-Y551 AromaticContact CE2-CE2 3.99Å; W421-Y551 HydrophobicContact CZ2-CD2 4.48Å; W421-Y551 AromaticContact CZ2-CE2 3.66Å; W421-Y551 HydrophobicContact CZ2-CE2 3.66Å; W421-Y551 AromaticContact NE1-CE2 3.75Å; A547-Y551 WeakPolarHBondContact O-CD2 3.45Å; A547-Y551 PolarHBondContact O-N 2.92Å; A547-Y551 VanDerWaalsContact O-N 3.08Å; R548-Y551 PolarHBondContact O-N 3.19Å; H549-Y551 VanDerWaalsContact C-N 3.31Å; H549-Y551 PolarHBondContact O-N 2.81Å; Y551-Y553 PolarHBondContact O-N 3.43Å; Y551-K554 PolarHBondContact O-N 2.76Å
552	D	93.2	Very high	89.8	Confident	68 Å²	68	38.1 Å²	38.1	36%	0.364	21%	0.212	S	C	.	.	H	α-helix	trans	-59.6	-30.8	-180	-69.2	-15.2	0	0	0	111.6	R548 H549 R568	R548-D552 IonicContact CZ-OD1 3.96Å; R548-D552 IonicContact NE-OD1 3.9Å; R548-D552 PolarHBondContact NE-OD1 3.13Å; R548-D552 IonicContact NH2-OD1 2.83Å; R548-D552 VanDerWaalsContact O-CG 3.25Å; R548-D552 PolarHBondContact O-N 3.25Å; H549-D552 PolarHBondContact O-N 3.35Å; D552-R568 IonicContact OD2-CZ 2.92Å; D552-R568 IonicContact OD2-NH1 3.08Å; D552-R568 PolarHBondContact OD2-NH1 3.42Å; D552-R568 IonicContact OD2-NH2 3.19Å; D552-R568 PolarHBondContact OD2-NH2 2.85Å; D552-R568 VanDerWaalsContact OD2-NH2 3.08Å
553	Y	91.1	Very high	89.2	Confident	51 Å²	51	40.1 Å²	40.1	20%	0.2	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	22.4	175.3	-67.8	-69.7	0	0	0	114.4	H549 W550 Y551 G555 N556 C559 C560 D563	H549-Y553 AromaticContact CD2-CD2 3.75Å; H549-Y553 AromaticContact CD2-CE2 3.55Å; H549-Y553 AromaticContact CE1-CD2 3.64Å; H549-Y553 AromaticContact ND1-CD2 3.99Å; H549-Y553 AromaticContact NE2-CD2 3.5Å; H549-Y553 AromaticContact NE2-CE2 3.38Å; H549-Y553 WeakPolarHBondContact NE2-CE2 3.45Å; H549-Y553 VanDerWaalsContact O-CD2 3.31Å; H549-Y553 WeakPolarHBondContact O-CD2 3.35Å; H549-Y553 PolarHBondContact O-N 2.93Å; H549-Y553 VanDerWaalsContact O-N 3.16Å; W550-Y553 CarbonylContact O-C 3.54Å; Y551-Y553 PolarHBondContact O-N 3.43Å; Y553-G555 VanDerWaalsContact C-N 3.29Å; Y553-G555 PolarHBondContact O-N 3.07Å; Y553-N556 WeakPolarHBondContact CB-O 3.4Å; Y553-N556 CarbonylContact O-C 3.51Å; Y553-N556 PolarHBondContact O-N 3.33Å; Y553-C559 HydrophobicContact CD1-CB 4.43Å; Y553-C560 HydrophobicContact CD1-CB 4.07Å; Y553-C560 HydrophobicContact CD2-CB 3.88Å; Y553-C560 VanDerWaalsContact CE1-CA 3.45Å; Y553-C560 HydrophobicContact CE1-CB 3.64Å; Y553-C560 HydrophobicContact CE2-CB 3.39Å; Y553-C560 HydrophobicContact CG-CB 4.19Å; Y553-D563 WeakPolarHBondContact OH-CB 3.02Å; Y553-D563 PolarHBondContact OH-OD2 3.27Å
554	K	89.4	Confident	89	Confident	154 Å²	154	40 Å²	40	67%	0.67	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	40.9	170.9	-47.8	-172.7	-179.7	178.8	0	114.1	Y409 W550 Y551 N556	Y409-K554 HydrophobicContact CD1-CB 4.48Å; Y409-K554 HydrophobicContact CE1-CB 3.87Å; Y409-K554 HydrophobicContact CE1-CG 4.42Å; Y409-K554 VanDerWaalsContact CE2-CA 3.49Å; Y409-K554 HydrophobicContact CE2-CB 4.18Å; Y409-K554 HydrophobicContact CE2-CG 4.49Å; Y409-K554 WeakPolarHBondContact OH-CG 3.49Å; W550-K554 PolarHBondContact O-N 3.15Å; Y551-K554 PolarHBondContact O-N 2.76Å; K554-N556 PolarHBondContact O-N 2.9Å
555	G	85.6	Confident	88.9	Confident	11 Å²	11	38.5 Å²	38.5	11%	0.113	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	0.6	-177.4	0	0	0	0	0	115.1	W550 Y553 P557 F613	W550-G555 VanDerWaalsContact CE2-CA 3.45Å; W550-G555 PolarHBondContact NE1-O 3.15Å; W550-G555 PolarHBondContact O-N 2.76Å; Y553-G555 VanDerWaalsContact C-N 3.29Å; Y553-G555 PolarHBondContact O-N 3.07Å; G555-P557 WeakPolarHBondContact O-CD 3.5Å; G555-F613 WeakPolarHBondContact O-CE1 3.42Å
556	N	86.1	Confident	88.8	Confident	57 Å²	57	37.6 Å²	37.6	31%	0.305	21%	0.21	S	C	.	.			trans	-122.9	83.5	179	-175.2	-0.3	0	0	0	111.5	Y553 K554 S558 C559	Y553-N556 WeakPolarHBondContact CB-O 3.4Å; Y553-N556 CarbonylContact O-C 3.51Å; Y553-N556 PolarHBondContact O-N 3.33Å; K554-N556 PolarHBondContact O-N 2.9Å; N556-S558 PolarHBondContact O-N 2.85Å; N556-S558 WeakPolarHBondContact OD1-CB 3.14Å; N556-S558 PolarHBondContact OD1-N 2.66Å; N556-S558 PolarHBondContact OD1-OG 2.92Å; N556-C559 PolarHBondContact ND2-SG 2.85Å; N556-C559 PolarHBondContact O-N 3.05Å; N556-C559 VanDerWaalsContact O-N 3.16Å
557	P	87.6	Confident	88.6	Confident	4 Å²	4	37.7 Å²	37.7	3%	0.026	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-65.1	-12.7	-178.2	27.3	-33.4	0	0	0	113.3	I72 G555 C559 C560 Y608 F613	I72-P557 HydrophobicContact CG2-CG 4.27Å; G555-P557 WeakPolarHBondContact O-CD 3.5Å; P557-C559 PolarHBondContact O-N 2.94Å; P557-C560 PolarHBondContact O-N 3.37Å; P557-C560 PolarHBondContact O-SG 3.07Å; P557-Y608 HydrophobicContact CB-CD2 3.83Å; P557-Y608 HydrophobicContact CB-CE1 4.2Å; P557-Y608 HydrophobicContact CB-CE2 3.33Å; P557-Y608 HydrophobicContact CB-CG 4.42Å; P557-Y608 HydrophobicContact CG-CD1 3.83Å; P557-Y608 HydrophobicContact CG-CD2 3.36Å; P557-Y608 HydrophobicContact CG-CE1 3.9Å; P557-Y608 HydrophobicContact CG-CE2 3.42Å; P557-Y608 VanDerWaalsContact CG-CE2 3.42Å; P557-Y608 HydrophobicContact CG-CG 3.57Å; P557-F613 HydrophobicContact CG-CE1 4.46Å; P557-F613 HydrophobicContact CG-CZ 4.24Å
558	S	82.6	Confident	88.6	Confident	26 Å²	26	39 Å²	39	18%	0.182	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-71.9	-9.8	175.8	74.8	0	0	0	0	114.2	K65 N556 C560	K65-S558 PolarHBondContact NZ-OG 3Å; K65-S558 VanDerWaalsContact NZ-OG 3.09Å; N556-S558 PolarHBondContact O-N 2.85Å; N556-S558 WeakPolarHBondContact OD1-CB 3.14Å; N556-S558 PolarHBondContact OD1-N 2.66Å; N556-S558 PolarHBondContact OD1-OG 2.92Å; S558-C560 VanDerWaalsContact C-N 3.33Å
559	C	80.6	Confident	88.7	Confident	76 Å²	76	33.4 Å²	33.4	51%	0.514	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-84.2	-4.9	175.8	-67.1	0	0	0	0	113.5	Y553 N556 P557 S561	Y553-C559 HydrophobicContact CD1-CB 4.43Å; N556-C559 PolarHBondContact ND2-SG 2.85Å; N556-C559 PolarHBondContact O-N 3.05Å; N556-C559 VanDerWaalsContact O-N 3.16Å; P557-C559 PolarHBondContact O-N 2.94Å; C559-S561 PolarHBondContact O-N 2.91Å
560	C	78.6	Confident	88.7	Confident	16 Å²	16	33.3 Å²	33.3	11%	0.108	19%	0.194	C	C	.	.			trans	-69	133	-179.4	71.4	0	0	0	0	111.2	Y553 P557 S558 D563	Y553-C560 HydrophobicContact CD1-CB 4.07Å; Y553-C560 HydrophobicContact CD2-CB 3.88Å; Y553-C560 VanDerWaalsContact CE1-CA 3.45Å; Y553-C560 HydrophobicContact CE1-CB 3.64Å; Y553-C560 HydrophobicContact CE2-CB 3.39Å; Y553-C560 HydrophobicContact CG-CB 4.19Å; P557-C560 PolarHBondContact O-N 3.37Å; P557-C560 PolarHBondContact O-SG 3.07Å; S558-C560 VanDerWaalsContact C-N 3.33Å; C560-D563 WeakPolarHBondContact CB-O 3.15Å
561	S	73.5	Confident	88.8	Confident	117 Å²	117	35.3 Å²	35.3	82%	0.818	20%	0.202	S	C	*	.	S	Bend	trans	-110.7	91.3	178.3	-64.9	0	0	0	0	109	C559 D563	C559-S561 PolarHBondContact O-N 2.91Å; S561-D563 VanDerWaalsContact C-N 3.3Å; S561-D563 PolarHBondContact O-N 3.44Å
562	G	75.2	Confident	89	Confident	38 Å²	38	35.3 Å²	35.3	39%	0.392	20%	0.203	S	C	.	.	S	Bend	trans	77.7	6.9	177.8	0	0	0	0	0	116.1	E61	E61-G562 WeakPolarHBondContact OE2-CA 3.42Å
563	D	86.9	Confident	89.2	Confident	42 Å²	42	32.3 Å²	32.3	23%	0.225	19%	0.187	C	C	.	.			trans	-125.6	69.3	177.6	175.1	36.3	0	0	0	109.1	H549 Y553 C560 S561 R568	H549-D563 PolarHBondContact CD2-O 3.11Å; H549-D563 PolarHBondContact NE2-O 3.32Å; Y553-D563 WeakPolarHBondContact OH-CB 3.02Å; Y553-D563 PolarHBondContact OH-OD2 3.27Å; C560-D563 WeakPolarHBondContact CB-O 3.15Å; S561-D563 VanDerWaalsContact C-N 3.3Å; S561-D563 PolarHBondContact O-N 3.44Å; D563-R568 VanDerWaalsContact CG-NE 3.28Å; D563-R568 WeakPolarHBondContact OD1-CG 3.36Å; D563-R568 IonicContact OD1-CZ 3.33Å; D563-R568 IonicContact OD1-NE 3.73Å; D563-R568 PolarHBondContact OD1-NE 3.15Å; D563-R568 IonicContact OD2-CZ 2.93Å; D563-R568 IonicContact OD2-NE 3.7Å; D563-R568 PolarHBondContact OD2-NE 3.18Å; D563-R568 IonicContact OD2-NH2 3.94Å; D563-R568 PolarHBondContact OD2-NH2 2.75Å
564	T	92.9	Very high	89.3	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.177	C	C	.	.			trans	-77.9	158.9	177.4	66.5	0	0	0	0	112.3	E61 T63 S74 A566 S567 R568	E61-T564 VanDerWaalsContact CD-CG2 3.42Å; E61-T564 HydrophobicContact CG-CG2 3.69Å; E61-T564 WeakPolarHBondContact OE1-CB 3.41Å; E61-T564 WeakPolarHBondContact OE1-CG2 3.41Å; E61-T564 PolarHBondContact OE1-N 2.9Å; E61-T564 PolarHBondContact OE1-OG1 3.43Å; T63-T564 WeakPolarHBondContact OG1-CG2 3.48Å; S74-T564 VanDerWaalsContact CB-CB 3.49Å; T564-A566 PolarHBondContact O-N 3.3Å; T564-S567 PolarHBondContact O-N 3.48Å; T564-S567 VanDerWaalsContact O-N 3.1Å; T564-S567 PolarHBondContact OG1-N 3.24Å; T564-S567 VanDerWaalsContact OG1-N 3.14Å; T564-S567 PolarHBondContact OG1-OG 2.78Å; T564-R568 PolarHBondContact O-N 2.8Å
565	A	95.7	Very high	89.5	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-54.6	-38.7	170.5	0	0	0	0	0	112.5	V546 H549 R568 L569 V606 Y608	V546-A565 HydrophobicContact CG1-CB 4.2Å; V546-A565 HydrophobicContact CG2-CB 4.23Å; H549-A565 HydrophobicContact CB-CB 4.38Å; H549-A565 PolarHBondContact CD2-N 3.02Å; H549-A565 PolarHBondContact NE2-N 3.45Å; A565-R568 PolarHBondContact O-N 3.48Å; A565-L569 WeakPolarHBondContact O-CG 3.3Å; A565-L569 PolarHBondContact O-N 3.3Å; A565-V606 HydrophobicContact CB-CB 4.07Å; A565-V606 HydrophobicContact CB-CG1 3.85Å; A565-V606 HydrophobicContact CB-CG2 3.99Å; A565-Y608 HydrophobicContact CB-CE2 4.47Å; A565-Y608 WeakPolarHBondContact CB-OH 3.48Å
566	A	95.5	Very high	89.9	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.4	-43.4	175.8	0	0	0	0	0	112.2	S74 N76 T564 L569 I570 V604 V606	S74-A566 PolarHBondContact OG-N 3.15Å; N76-A566 HydrophobicContact CB-CB 3.8Å; T564-A566 PolarHBondContact O-N 3.3Å; A566-L569 PolarHBondContact O-N 3.31Å; A566-I570 PolarHBondContact O-N 3.03Å; A566-I570 VanDerWaalsContact O-N 3.11Å; A566-V604 HydrophobicContact CB-CB 4.47Å; A566-V604 HydrophobicContact CB-CG1 4.48Å; A566-V606 HydrophobicContact CB-CG2 4.39Å
567	S	93.9	Very high	90.1	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.014	18%	0.175	C	C	.	.	H	α-helix	trans	-64.7	-41.1	174.5	-71.8	0	0	0	0	112.8	E61 N76 T564 L569 I570 R571	E61-S567 VanDerWaalsContact CD-OG 3.28Å; E61-S567 VanDerWaalsContact OE1-CB 3.25Å; E61-S567 WeakPolarHBondContact OE1-CB 3.49Å; E61-S567 PolarHBondContact OE1-OG 3.13Å; N76-S567 PolarHBondContact ND2-OG 3.41Å; T564-S567 PolarHBondContact O-N 3.48Å; T564-S567 VanDerWaalsContact O-N 3.1Å; T564-S567 PolarHBondContact OG1-N 3.24Å; T564-S567 VanDerWaalsContact OG1-N 3.14Å; T564-S567 PolarHBondContact OG1-OG 2.78Å; S567-L569 VanDerWaalsContact C-N 3.33Å; S567-L569 PolarHBondContact O-N 3.11Å; S567-I570 PolarHBondContact O-N 3.28Å; S567-R571 WeakPolarHBondContact O-CB 3.28Å; S567-R571 VanDerWaalsContact O-CG 3.32Å; S567-R571 WeakPolarHBondContact O-CG 3.16Å; S567-R571 PolarHBondContact O-N 2.99Å
568	R	95.5	Very high	90.2	Very high	27 Å²	27	34 Å²	34	10%	0.102	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-40.8	174.8	-71	-171.8	179.4	-164.5	3.1	111.9	V545 D552 D563 T564 A565 I570 R571 T572 M579	V545-R568 HydrophobicContact CG1-CB 3.61Å; D552-R568 IonicContact OD2-CZ 2.92Å; D552-R568 IonicContact OD2-NH1 3.08Å; D552-R568 PolarHBondContact OD2-NH1 3.42Å; D552-R568 IonicContact OD2-NH2 3.19Å; D552-R568 PolarHBondContact OD2-NH2 2.85Å; D552-R568 VanDerWaalsContact OD2-NH2 3.08Å; D563-R568 VanDerWaalsContact CG-NE 3.28Å; D563-R568 WeakPolarHBondContact OD1-CG 3.36Å; D563-R568 IonicContact OD1-CZ 3.33Å; D563-R568 IonicContact OD1-NE 3.73Å; D563-R568 PolarHBondContact OD1-NE 3.15Å; D563-R568 IonicContact OD2-CZ 2.93Å; D563-R568 IonicContact OD2-NE 3.7Å; D563-R568 PolarHBondContact OD2-NE 3.18Å; D563-R568 IonicContact OD2-NH2 3.94Å; D563-R568 PolarHBondContact OD2-NH2 2.75Å; T564-R568 PolarHBondContact O-N 2.8Å; A565-R568 PolarHBondContact O-N 3.48Å; R568-I570 PolarHBondContact O-N 3.2Å; R568-R571 PolarHBondContact O-N 3.24Å; R568-T572 WeakPolarHBondContact O-CB 3.36Å; R568-T572 PolarHBondContact O-N 2.94Å; R568-T572 PolarHBondContact O-OG1 3.28Å; R568-T572 VanDerWaalsContact O-OG1 3.07Å; R568-M579 HydrophobicContact CB-CE 3.78Å; R568-M579 HydrophobicContact CG-CE 3.97Å
569	L	97.7	Very high	90.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.6	-46	174.5	-76.8	171.6	0	0	0	111.8	I527 L533 I537 A542 V545 V546 A565 A566 S567 T572 A573 V604 V606	I527-L569 HydrophobicContact CD1-CD1 4.34Å; I527-L569 HydrophobicContact CG2-CD1 3.75Å; L533-L569 HydrophobicContact CD1-CB 4.29Å; I537-L569 HydrophobicContact CD1-CD2 4.45Å; A542-L569 HydrophobicContact CB-CD2 3.66Å; V545-L569 HydrophobicContact CB-CD2 3.91Å; V545-L569 HydrophobicContact CG1-CD2 3.95Å; V545-L569 HydrophobicContact CG1-CG 4.11Å; V545-L569 HydrophobicContact CG2-CD2 4.49Å; V546-L569 HydrophobicContact CG2-CD1 3.73Å; V546-L569 HydrophobicContact CG2-CD2 4.17Å; V546-L569 HydrophobicContact CG2-CG 4.01Å; A565-L569 WeakPolarHBondContact O-CG 3.3Å; A565-L569 PolarHBondContact O-N 3.3Å; A566-L569 PolarHBondContact O-N 3.31Å; S567-L569 VanDerWaalsContact C-N 3.33Å; S567-L569 PolarHBondContact O-N 3.11Å; L569-T572 PolarHBondContact O-N 2.9Å; L569-A573 VanDerWaalsContact O-CB 3.25Å; L569-A573 WeakPolarHBondContact O-CB 3.45Å; L569-A573 PolarHBondContact O-N 2.95Å; L569-V604 HydrophobicContact CD1-CG1 3.63Å; L569-V606 HydrophobicContact CD1-CG2 3.54Å
570	I	95.8	Very high	91.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.9	-43.5	176.6	-68.8	172.6	0	0	0	111.3	I57 N76 V78 A566 S567 R568 T572 A573 L574 I602 V604	I57-I570 HydrophobicContact CD1-CG2 4.25Å; I57-I570 HydrophobicContact CG1-CG2 4.29Å; I57-I570 HydrophobicContact CG2-CG2 4.5Å; N76-I570 HydrophobicContact CB-CD1 3.67Å; V78-I570 HydrophobicContact CB-CG2 4.49Å; V78-I570 HydrophobicContact CG1-CD1 4.25Å; V78-I570 HydrophobicContact CG1-CG2 3.99Å; V78-I570 HydrophobicContact CG2-CD1 4.24Å; V78-I570 HydrophobicContact CG2-CG1 4.49Å; V78-I570 HydrophobicContact CG2-CG2 3.63Å; A566-I570 PolarHBondContact O-N 3.03Å; A566-I570 VanDerWaalsContact O-N 3.11Å; S567-I570 PolarHBondContact O-N 3.28Å; R568-I570 PolarHBondContact O-N 3.2Å; I570-T572 VanDerWaalsContact C-N 3.35Å; I570-T572 PolarHBondContact O-N 3.45Å; I570-A573 PolarHBondContact O-N 2.89Å; I570-L574 HydrophobicContact CG2-CD1 4.07Å; I570-L574 WeakPolarHBondContact O-CG 3.48Å; I570-L574 PolarHBondContact O-N 2.97Å; I570-I602 HydrophobicContact CG1-CG2 4.02Å; I570-V604 HydrophobicContact CG1-CG2 4.23Å
571	R	95.6	Very high	91.8	Very high	43 Å²	43	35 Å²	35	16%	0.162	21%	0.209	C	C	.	.	H	α-helix	trans	-63.3	-40.7	177.1	-72.6	177.6	-176.7	-80.4	3.4	111.7	S54 I57 S567 R568 G575 M579 I584	S54-R571 PolarHBondContact OG-NH2 2.78Å; S54-R571 VanDerWaalsContact OG-NH2 3.08Å; I57-R571 HydrophobicContact CD1-CG 3.82Å; S567-R571 WeakPolarHBondContact O-CB 3.28Å; S567-R571 VanDerWaalsContact O-CG 3.32Å; S567-R571 WeakPolarHBondContact O-CG 3.16Å; S567-R571 PolarHBondContact O-N 2.99Å; R568-R571 PolarHBondContact O-N 3.24Å; R571-G575 VanDerWaalsContact O-CA 3.31Å; R571-G575 WeakPolarHBondContact O-CA 3.26Å; R571-G575 PolarHBondContact O-N 3.44Å; R571-M579 HydrophobicContact CB-CB 3.99Å; R571-M579 HydrophobicContact CB-CG 3.84Å; R571-M579 HydrophobicContact CB-SD 3.91Å; R571-I584 HydrophobicContact CB-CD1 4.12Å; R571-I584 HydrophobicContact CG-CD1 4.19Å
572	T	96.8	Very high	92.5	Very high	10 Å²	10	35.4 Å²	35.4	6%	0.061	20%	0.198	C	C	.	.	H	α-helix	trans	-70.3	-41.1	176.9	-60.1	0	0	0	0	112.1	I537 V545 R568 L569 I570 L574 G576 M579	I537-T572 HydrophobicContact CD1-CG2 3.57Å; V545-T572 HydrophobicContact CG2-CG2 3.79Å; R568-T572 WeakPolarHBondContact O-CB 3.36Å; R568-T572 PolarHBondContact O-N 2.94Å; R568-T572 PolarHBondContact O-OG1 3.28Å; R568-T572 VanDerWaalsContact O-OG1 3.07Å; L569-T572 PolarHBondContact O-N 2.9Å; I570-T572 VanDerWaalsContact C-N 3.35Å; I570-T572 PolarHBondContact O-N 3.45Å; T572-L574 VanDerWaalsContact C-N 3.33Å; T572-L574 PolarHBondContact O-N 3.28Å; T572-G576 VanDerWaalsContact CA-O 3.31Å; T572-G576 WeakPolarHBondContact CA-O 3.46Å; T572-G576 CarbonylContact O-C 3.58Å; T572-G576 WeakPolarHBondContact O-CA 3.3Å; T572-G576 PolarHBondContact O-N 3.49Å; T572-M579 WeakPolarHBondContact OG1-CE 3.42Å
573	A	96	Very high	93.2	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.033	19%	0.193	C	C	.	.	H	α-helix	trans	-58.5	-43.9	175.7	0	0	0	0	0	111.8	L533 M536 I537 L569 I570 I602	L533-A573 HydrophobicContact CD1-CB 4.04Å; M536-A573 HydrophobicContact CB-CB 3.74Å; M536-A573 WeakPolarHBondContact CB-O 3.28Å; M536-A573 VanDerWaalsContact CE-O 3.23Å; M536-A573 WeakPolarHBondContact CE-O 3.2Å; I537-A573 HydrophobicContact CG2-CB 4.45Å; L569-A573 VanDerWaalsContact O-CB 3.25Å; L569-A573 WeakPolarHBondContact O-CB 3.45Å; L569-A573 PolarHBondContact O-N 2.95Å; I570-A573 PolarHBondContact O-N 2.89Å; A573-I602 HydrophobicContact CB-CD1 4.46Å
574	L	94.4	Very high	93.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-91.3	-21.4	-176.2	-62.9	179.8	0	0	0	114.5	V78 M536 I570 T572 Q583 I584 H587 F588 I602	V78-L574 HydrophobicContact CG2-CD1 4.35Å; M536-L574 HydrophobicContact CE-CD2 4.35Å; I570-L574 HydrophobicContact CG2-CD1 4.07Å; I570-L574 WeakPolarHBondContact O-CG 3.48Å; I570-L574 PolarHBondContact O-N 2.97Å; T572-L574 VanDerWaalsContact C-N 3.33Å; T572-L574 PolarHBondContact O-N 3.28Å; L574-Q583 WeakPolarHBondContact O-CG 3.5Å; L574-Q583 PolarHBondContact O-NE2 3.3Å; L574-I584 HydrophobicContact CB-CB 4.38Å; L574-I584 HydrophobicContact CB-CG1 3.88Å; L574-I584 HydrophobicContact CB-CG2 4.21Å; L574-I584 HydrophobicContact CD1-CG2 4.24Å; L574-H587 HydrophobicContact CD2-CB 4.32Å; L574-H587 PolarHBondContact O-CD2 3.35Å; L574-H587 VanDerWaalsContact O-CD2 3.23Å; L574-H587 PolarHBondContact O-NE2 2.91Å; L574-F588 HydrophobicContact CD1-CE1 3.87Å; L574-F588 HydrophobicContact CD1-CZ 4.09Å; L574-I602 HydrophobicContact CD1-CD1 4.49Å; L574-I602 HydrophobicContact CD2-CD1 3.8Å; L574-I602 HydrophobicContact CG-CD1 4.1Å
575	G	94.1	Very high	93.4	Very high	2 Å²	2	34.7 Å²	34.7	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-123.9	7.2	-172.9	0	0	0	0	0	114.9	R571 M579 N580	R571-G575 VanDerWaalsContact O-CA 3.31Å; R571-G575 WeakPolarHBondContact O-CA 3.26Å; R571-G575 PolarHBondContact O-N 3.44Å; G575-M579 PolarHBondContact O-N 3.47Å; G575-N580 WeakPolarHBondContact O-CB 3.3Å; G575-N580 PolarHBondContact O-N 2.66Å
576	G	92.7	Very high	93.1	Very high	30 Å²	30	35.7 Å²	35.7	31%	0.309	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	-172.3	-174.5	0	0	0	0	0	113.6	T572 E578 M579	T572-G576 VanDerWaalsContact CA-O 3.31Å; T572-G576 WeakPolarHBondContact CA-O 3.46Å; T572-G576 CarbonylContact O-C 3.58Å; T572-G576 WeakPolarHBondContact O-CA 3.3Å; T572-G576 PolarHBondContact O-N 3.49Å; G576-E578 PolarHBondContact O-N 2.92Å; G576-E578 VanDerWaalsContact O-N 3.16Å; G576-M579 PolarHBondContact O-N 3.13Å
577	T	90	Very high	92.8	Very high	116 Å²	116	35.9 Å²	35.9	71%	0.712	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.2	-177.8	49.5	0	0	0	0	113.8	M579	T577-M579 VanDerWaalsContact C-N 3.26Å
578	E	91.3	Very high	92.6	Very high	164 Å²	164	36.6 Å²	36.6	77%	0.766	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.9	176.6	-62.2	-177.2	170	0	0	113.1	G576 N580	G576-E578 PolarHBondContact O-N 2.92Å; G576-E578 VanDerWaalsContact O-N 3.16Å; E578-N580 PolarHBondContact O-N 3.25Å
579	M	92.3	Very high	92.3	Very high	53 Å²	53	36 Å²	36	26%	0.261	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	42.8	-175.9	-60.3	-178.2	-169.8	0	0	112	R568 R571 T572 G575 G576 T577 S581	R568-M579 HydrophobicContact CB-CE 3.78Å; R568-M579 HydrophobicContact CG-CE 3.97Å; R571-M579 HydrophobicContact CB-CB 3.99Å; R571-M579 HydrophobicContact CB-CG 3.84Å; R571-M579 HydrophobicContact CB-SD 3.91Å; T572-M579 WeakPolarHBondContact OG1-CE 3.42Å; G575-M579 PolarHBondContact O-N 3.47Å; G576-M579 PolarHBondContact O-N 3.13Å; T577-M579 VanDerWaalsContact C-N 3.26Å; M579-S581 PolarHBondContact O-N 2.76Å
580	N	91.7	Very high	91.9	Very high	63 Å²	63	36.8 Å²	36.8	34%	0.337	20%	0.196	S	C	.	.			trans	-58.8	108.4	-170.8	-176.5	-47.2	0	0	0	111.8	G575 E578 E582 Q583 I584	G575-N580 WeakPolarHBondContact O-CB 3.3Å; G575-N580 PolarHBondContact O-N 2.66Å; E578-N580 PolarHBondContact O-N 3.25Å; N580-E582 PolarHBondContact O-N 3.34Å; N580-E582 WeakPolarHBondContact OD1-CA 3.48Å; N580-E582 VanDerWaalsContact OD1-CB 3.3Å; N580-E582 WeakPolarHBondContact OD1-CB 3.31Å; N580-E582 PolarHBondContact OD1-N 3.42Å; N580-Q583 HydrophobicContact CB-CB 4.15Å; N580-Q583 PolarHBondContact O-N 3.15Å; N580-Q583 VanDerWaalsContact O-N 3.14Å; N580-Q583 PolarHBondContact OD1-N 3.04Å; N580-Q583 VanDerWaalsContact OD1-N 3.09Å; N580-I584 WeakPolarHBondContact O-CG1 3.19Å; N580-I584 PolarHBondContact O-N 2.89Å; N580-I584 VanDerWaalsContact O-N 3.1Å
581	S	90.5	Very high	91.4	Very high	25 Å²	25	38.9 Å²	38.9	18%	0.175	21%	0.21	C	C	.	.	H	α-helix	trans	-55.3	-34	-178.9	-69.7	0	0	0	0	113.5	E50 M579 A585	E50-S581 VanDerWaalsContact OE1-CB 3.27Å; E50-S581 WeakPolarHBondContact OE1-CB 3.25Å; E50-S581 PolarHBondContact OE1-OG 3.08Å; M579-S581 PolarHBondContact O-N 2.76Å; S581-A585 VanDerWaalsContact O-CB 3.31Å; S581-A585 WeakPolarHBondContact O-CB 3.49Å; S581-A585 PolarHBondContact O-N 3.16Å
582	E	89	Confident	90.8	Very high	125 Å²	125	40.7 Å²	40.7	58%	0.584	23%	0.234	S	C	*	.	H	α-helix	trans	-71.3	-40.6	179.5	-63.4	-164.3	-155.3	0	0	112.5	K47 N580 A585 L586	K47-E582 IonicContact NZ-OE2 2.9Å; K47-E582 PolarHBondContact NZ-OE2 2.9Å; K47-E582 VanDerWaalsContact NZ-OE2 3.09Å; N580-E582 PolarHBondContact O-N 3.34Å; N580-E582 WeakPolarHBondContact OD1-CA 3.48Å; N580-E582 VanDerWaalsContact OD1-CB 3.3Å; N580-E582 WeakPolarHBondContact OD1-CB 3.31Å; N580-E582 PolarHBondContact OD1-N 3.42Å; E582-A585 WeakPolarHBondContact O-CB 3.37Å; E582-A585 PolarHBondContact O-N 2.92Å; E582-L586 WeakPolarHBondContact O-CG 3.48Å; E582-L586 PolarHBondContact O-N 3.09Å
583	Q	89.8	Confident	90.1	Very high	63 Å²	63	44.9 Å²	44.9	29%	0.294	26%	0.263	S	S	.	.	H	α-helix	trans	-64.7	-43.3	175.7	-172.3	-177.7	-27.6	0	0	110.9	L574 N580 A585 L586 H587	L574-Q583 WeakPolarHBondContact O-CG 3.5Å; L574-Q583 PolarHBondContact O-NE2 3.3Å; N580-Q583 HydrophobicContact CB-CB 4.15Å; N580-Q583 PolarHBondContact O-N 3.15Å; N580-Q583 VanDerWaalsContact O-N 3.14Å; N580-Q583 PolarHBondContact OD1-N 3.04Å; N580-Q583 VanDerWaalsContact OD1-N 3.09Å; Q583-A585 VanDerWaalsContact C-N 3.31Å; Q583-A585 PolarHBondContact O-N 2.99Å; Q583-L586 WeakPolarHBondContact O-CB 3.38Å; Q583-L586 PolarHBondContact O-N 3.22Å; Q583-H587 PolarHBondContact O-CD2 3.2Å; Q583-H587 PolarHBondContact O-N 2.89Å
584	I	92.4	Very high	89.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-43	175	-57.6	167.5	0	0	0	110.4	V53 I57 R571 L574 N580 L586 H587 F588	V53-I584 HydrophobicContact CG1-CB 4.02Å; V53-I584 HydrophobicContact CG1-CG2 3.41Å; V53-I584 VanDerWaalsContact CG1-CG2 3.41Å; V53-I584 HydrophobicContact CG2-CG2 4.49Å; I57-I584 HydrophobicContact CD1-CG2 4Å; R571-I584 HydrophobicContact CB-CD1 4.12Å; R571-I584 HydrophobicContact CG-CD1 4.19Å; L574-I584 HydrophobicContact CB-CB 4.38Å; L574-I584 HydrophobicContact CB-CG1 3.88Å; L574-I584 HydrophobicContact CB-CG2 4.21Å; L574-I584 HydrophobicContact CD1-CG2 4.24Å; N580-I584 WeakPolarHBondContact O-CG1 3.19Å; N580-I584 PolarHBondContact O-N 2.89Å; N580-I584 VanDerWaalsContact O-N 3.1Å; I584-L586 VanDerWaalsContact C-N 3.29Å; I584-L586 PolarHBondContact O-N 3.29Å; I584-H587 WeakPolarHBondContact O-CB 3.23Å; I584-H587 PolarHBondContact O-N 3.5Å; I584-F588 HydrophobicContact CG2-CD2 4.33Å; I584-F588 HydrophobicContact CG2-CE2 4Å; I584-F588 HydrophobicContact CG2-CZ 4.28Å; I584-F588 PolarHBondContact O-N 3.46Å; I584-F588 VanDerWaalsContact O-N 3.16Å
585	A	91.1	Very high	89.2	Confident	2 Å²	2	47.6 Å²	47.6	2%	0.017	28%	0.278	C	S	.	.	H	α-helix	trans	-57.4	-42.1	175.9	0	0	0	0	0	111.8	K47 V48 V53 S581 E582 Q583 H587 F588 S589	K47-A585 HydrophobicContact CG-CB 4.24Å; V48-A585 WeakPolarHBondContact O-CB 3.47Å; V53-A585 HydrophobicContact CG2-CB 3.7Å; S581-A585 VanDerWaalsContact O-CB 3.31Å; S581-A585 WeakPolarHBondContact O-CB 3.49Å; S581-A585 PolarHBondContact O-N 3.16Å; E582-A585 WeakPolarHBondContact O-CB 3.37Å; E582-A585 PolarHBondContact O-N 2.92Å; Q583-A585 VanDerWaalsContact C-N 3.31Å; Q583-A585 PolarHBondContact O-N 2.99Å; A585-H587 PolarHBondContact O-N 2.88Å; A585-F588 CarbonylContact O-C 3.43Å; A585-F588 PolarHBondContact O-N 3.07Å; A585-F588 VanDerWaalsContact O-N 3.11Å; A585-S589 WeakPolarHBondContact O-CB 3.38Å; A585-S589 PolarHBondContact O-N 3.47Å; A585-S589 PolarHBondContact O-OG 2.86Å
586	L	88.7	Confident	88.7	Confident	21 Å²	21	50.8 Å²	50.8	11%	0.11	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-44.7	177.2	-67.2	167.8	0	0	0	111.7	F36 T37 I44 E582 Q583 I584 F588 S589 M590	F36-L586 HydrophobicContact CD1-CB 4.45Å; F36-L586 HydrophobicContact CD1-CD1 4.33Å; F36-L586 HydrophobicContact CE1-CB 3.76Å; F36-L586 HydrophobicContact CE1-CD1 4.42Å; T37-L586 HydrophobicContact CG2-CD1 3.65Å; I44-L586 HydrophobicContact CD1-CB 4.36Å; I44-L586 HydrophobicContact CD1-CD2 3.44Å; I44-L586 VanDerWaalsContact CD1-CD2 3.44Å; E582-L586 WeakPolarHBondContact O-CG 3.48Å; E582-L586 PolarHBondContact O-N 3.09Å; Q583-L586 WeakPolarHBondContact O-CB 3.38Å; Q583-L586 PolarHBondContact O-N 3.22Å; I584-L586 VanDerWaalsContact C-N 3.29Å; I584-L586 PolarHBondContact O-N 3.29Å; L586-F588 PolarHBondContact O-N 3.04Å; L586-S589 PolarHBondContact O-N 3.11Å; L586-M590 PolarHBondContact O-N 3.37Å
587	H	90	Very high	88.2	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.019	30%	0.296	C	S	.	.	H	α-helix	trans	-57.8	-31.5	174	-79.9	-71.3	0	0	0	113.6	F36 L574 Q583 I584 A585 R599	F36-H587 AromaticContact CE2-CE1 3.5Å; F36-H587 AromaticContact CZ-CE1 3.43Å; F36-H587 VanDerWaalsContact CZ-CE1 3.43Å; F36-H587 WeakPolarHBondContact CZ-CE1 3.29Å; F36-H587 AromaticContact CZ-ND1 3.58Å; F36-H587 AromaticContact CZ-NE2 3.79Å; L574-H587 HydrophobicContact CD2-CB 4.32Å; L574-H587 PolarHBondContact O-CD2 3.35Å; L574-H587 VanDerWaalsContact O-CD2 3.23Å; L574-H587 PolarHBondContact O-NE2 2.91Å; Q583-H587 PolarHBondContact O-CD2 3.2Å; Q583-H587 PolarHBondContact O-N 2.89Å; I584-H587 WeakPolarHBondContact O-CB 3.23Å; I584-H587 PolarHBondContact O-N 3.5Å; A585-H587 PolarHBondContact O-N 2.88Å; H587-R599 PolarHBondContact O-NE 2.93Å
588	F	89.7	Confident	88	Confident	17 Å²	17	52 Å²	52	8%	0.075	27%	0.273	C	S	.	.	H	α-helix	trans	-88.5	-13.2	177.4	-72.9	-9.4	0	0	0	114.6	V48 V53 R56 I57 V78 L574 I584 A585 L586	V48-F588 HydrophobicContact CB-CB 4.32Å; V48-F588 HydrophobicContact CG1-CB 4.43Å; V48-F588 HydrophobicContact CG2-CB 4.03Å; V48-F588 WeakPolarHBondContact CG2-O 3.44Å; V53-F588 HydrophobicContact CB-CD2 4.43Å; V53-F588 HydrophobicContact CG1-CD2 4.41Å; V53-F588 HydrophobicContact CG1-CE2 4.18Å; V53-F588 HydrophobicContact CG2-CD2 4.06Å; R56-F588 HydrophobicContact CB-CD2 4.24Å; R56-F588 HydrophobicContact CB-CE2 3.83Å; R56-F588 HydrophobicContact CB-CZ 4.47Å; R56-F588 PolarHBondContact NH1-O 3.26Å; R56-F588 VanDerWaalsContact NH1-O 3.13Å; I57-F588 HydrophobicContact CD1-CE2 4.32Å; I57-F588 HydrophobicContact CD1-CZ 4.39Å; I57-F588 HydrophobicContact CG1-CE2 3.95Å; I57-F588 HydrophobicContact CG1-CZ 3.94Å; V78-F588 HydrophobicContact CB-CE1 4.36Å; V78-F588 HydrophobicContact CB-CZ 4.32Å; V78-F588 HydrophobicContact CG1-CZ 4.09Å; L574-F588 HydrophobicContact CD1-CE1 3.87Å; L574-F588 HydrophobicContact CD1-CZ 4.09Å; I584-F588 HydrophobicContact CG2-CD2 4.33Å; I584-F588 HydrophobicContact CG2-CE2 4Å; I584-F588 HydrophobicContact CG2-CZ 4.28Å; I584-F588 PolarHBondContact O-N 3.46Å; I584-F588 VanDerWaalsContact O-N 3.16Å; A585-F588 CarbonylContact O-C 3.43Å; A585-F588 PolarHBondContact O-N 3.07Å; A585-F588 VanDerWaalsContact O-N 3.11Å; L586-F588 PolarHBondContact O-N 3.04Å
589	S	89.9	Confident	87.9	Confident	15 Å²	15	44.8 Å²	44.8	11%	0.105	24%	0.239	C	C	.	.	H	α-helix	trans	-94.2	-10	-179.9	-51.9	0	0	0	0	112.7	K47 V48 A585 L586	K47-S589 WeakPolarHBondContact CA-OG 3.05Å; V48-S589 PolarHBondContact N-OG 2.88Å; A585-S589 WeakPolarHBondContact O-CB 3.38Å; A585-S589 PolarHBondContact O-N 3.47Å; A585-S589 PolarHBondContact O-OG 2.86Å; L586-S589 PolarHBondContact O-N 3.11Å
590	M	87.4	Confident	87.9	Confident	15 Å²	15	43.1 Å²	43.1	7%	0.074	23%	0.231	C	C	.	.	S	Bend	trans	-57.6	133.2	177	-71.2	-59.3	-177.6	0	0	111.8	F36 L40 I44 L586 A595 Y598	F36-M590 HydrophobicContact CE1-CE 4.14Å; F36-M590 HydrophobicContact CE2-CE 4.35Å; F36-M590 HydrophobicContact CZ-CE 3.6Å; L40-M590 HydrophobicContact CD1-CE 3.36Å; L40-M590 HydrophobicContact CD2-CE 3.56Å; L40-M590 HydrophobicContact CD2-SD 4.33Å; L40-M590 HydrophobicContact CG-CE 4.06Å; I44-M590 HydrophobicContact CD1-SD 4.36Å; I44-M590 HydrophobicContact CG1-SD 4.4Å; L586-M590 PolarHBondContact O-N 3.37Å; M590-A595 HydrophobicContact CB-CB 3.71Å; M590-Y598 HydrophobicContact CE-CD1 3.86Å; M590-Y598 HydrophobicContact CE-CD2 3.73Å; M590-Y598 HydrophobicContact CE-CE1 3.9Å; M590-Y598 HydrophobicContact CE-CE2 3.79Å; M590-Y598 HydrophobicContact CE-CG 3.76Å; M590-Y598 HydrophobicContact CG-CD2 4.07Å; M590-Y598 HydrophobicContact CG-CG 4.5Å; M590-Y598 HydrophobicContact SD-CD2 3.84Å; M590-Y598 HydrophobicContact SD-CE2 3.79Å; M590-Y598 HydrophobicContact SD-CG 4.44Å
591	P	85.6	Confident	87.9	Confident	45 Å²	45	40.1 Å²	40.1	29%	0.292	22%	0.215	S	C	.	.			trans	-55.1	142.1	170.3	-25.4	34.4	0	0	0	111.2	I43 S593 L594 A595	I43-P591 HydrophobicContact CG2-CG 4.15Å; P591-S593 PolarHBondContact O-N 3.27Å; P591-S593 VanDerWaalsContact O-N 3.08Å; P591-L594 HydrophobicContact CG-CD1 4.5Å; P591-L594 PolarHBondContact O-N 3.25Å; P591-A595 WeakPolarHBondContact O-CB 3.13Å; P591-A595 PolarHBondContact O-N 3.45Å
592	A	83.1	Confident	88.1	Confident	81 Å²	81	39 Å²	39	67%	0.669	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.7	-176.1	0	0	0	0	0	113.7	L594	A592-L594 VanDerWaalsContact C-N 3.27Å; A592-L594 PolarHBondContact O-N 2.98Å
593	S	82	Confident	88.4	Confident	97 Å²	97	33 Å²	33	68%	0.678	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-21.5	174.7	50.8	0	0	0	0	113.8	P591	P591-S593 PolarHBondContact O-N 3.27Å; P591-S593 VanDerWaalsContact O-N 3.08Å
594	L	85	Confident	88.7	Confident	56 Å²	56	30 Å²	30	29%	0.293	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-24.8	-175.9	-65.9	178.3	0	0	0	113.5	I43 P591 A592 R596 Y597 Y598	I43-L594 HydrophobicContact CG2-CD1 3.5Å; I43-L594 VanDerWaalsContact CG2-CD1 3.5Å; P591-L594 HydrophobicContact CG-CD1 4.5Å; P591-L594 PolarHBondContact O-N 3.25Å; A592-L594 VanDerWaalsContact C-N 3.27Å; A592-L594 PolarHBondContact O-N 2.98Å; L594-R596 PolarHBondContact O-N 3.06Å; L594-R596 VanDerWaalsContact O-N 3.11Å; L594-Y597 HydrophobicContact CD2-CD2 4.2Å; L594-Y597 HydrophobicContact CD2-CE2 4.31Å; L594-Y597 WeakPolarHBondContact O-CB 3.44Å; L594-Y597 WeakPolarHBondContact O-CD2 3.43Å; L594-Y597 PolarHBondContact O-N 2.86Å; L594-Y598 HydrophobicContact CB-CE2 4.31Å; L594-Y598 WeakPolarHBondContact O-CD2 3.35Å
595	A	85.9	Confident	89	Confident	6 Å²	6	30 Å²	30	5%	0.05	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-55	-38	-168.7	0	0	0	0	0	113.5	V80 M590 P591 Y597 Y598 R599	V80-A595 HydrophobicContact CG2-CB 3.37Å; M590-A595 HydrophobicContact CB-CB 3.71Å; P591-A595 WeakPolarHBondContact O-CB 3.13Å; P591-A595 PolarHBondContact O-N 3.45Å; A595-Y597 PolarHBondContact O-N 2.91Å; A595-Y598 PolarHBondContact O-N 3.27Å; A595-R599 PolarHBondContact O-N 3.28Å
596	R	84.5	Confident	89.3	Confident	68 Å²	68	29.9 Å²	29.9	26%	0.257	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-66.7	-18.1	178.8	-158.7	173.7	-169.5	148.7	0.9	114.4	K14 V80 N81 E85 L594 Y598 R599 D600	K14-R596 VanDerWaalsContact NZ-CZ 3.33Å; V80-R596 HydrophobicContact CG1-CG 4.37Å; N81-R596 VanDerWaalsContact CG-NH1 3.33Å; N81-R596 PolarHBondContact ND2-NH1 3.43Å; N81-R596 WeakPolarHBondContact OD1-CD 3.43Å; N81-R596 PolarHBondContact OD1-NH1 3.32Å; E85-R596 IonicContact OE2-CZ 3.46Å; E85-R596 VanDerWaalsContact OE2-CZ 3.23Å; E85-R596 IonicContact OE2-NH1 2.77Å; E85-R596 PolarHBondContact OE2-NH1 2.72Å; E85-R596 IonicContact OE2-NH2 3.61Å; E85-R596 PolarHBondContact OE2-NH2 3.28Å; L594-R596 PolarHBondContact O-N 3.06Å; L594-R596 VanDerWaalsContact O-N 3.11Å; R596-Y598 VanDerWaalsContact C-N 3.26Å; R596-R599 WeakPolarHBondContact CA-O 3.32Å; R596-D600 IonicContact CZ-OD1 2.75Å; R596-D600 IonicContact CZ-OD2 2.88Å; R596-D600 IonicContact NE-OD1 2.73Å; R596-D600 IonicContact NE-OD2 3.62Å; R596-D600 PolarHBondContact NE-OD2 2.88Å; R596-D600 IonicContact NH2-OD1 3.23Å; R596-D600 IonicContact NH2-OD2 3.7Å
597	Y	82.7	Confident	89.6	Confident	116 Å²	116	29 Å²	29	46%	0.455	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-75	-17.9	172.2	-64.8	-75.1	0	0	0	112.8	V27 C29 L594 A595	V27-Y597 HydrophobicContact CG1-CD1 4.24Å; C29-Y597 PolarHBondContact SG-O 3.43Å; L594-Y597 HydrophobicContact CD2-CD2 4.2Å; L594-Y597 HydrophobicContact CD2-CE2 4.31Å; L594-Y597 WeakPolarHBondContact O-CB 3.44Å; L594-Y597 WeakPolarHBondContact O-CD2 3.43Å; L594-Y597 PolarHBondContact O-N 2.86Å; A595-Y597 PolarHBondContact O-N 2.91Å
598	Y	85	Confident	89.8	Confident	57 Å²	57	29 Å²	29	22%	0.224	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-27.1	-173.8	-66.6	-81.1	0	0	0	113.8	C29 F36 L40 M590 L594 A595 R596	C29-Y598 VanDerWaalsContact SG-C 3.56Å; C29-Y598 PolarHBondContact SG-O 3.25Å; F36-Y598 HydrophobicContact CD2-CD1 4.38Å; F36-Y598 AromaticContact CE2-CD1 3.54Å; F36-Y598 HydrophobicContact CE2-CD1 3.54Å; F36-Y598 HydrophobicContact CE2-CE1 4.31Å; F36-Y598 HydrophobicContact CE2-CG 4.22Å; F36-Y598 HydrophobicContact CZ-CD1 4.14Å; L40-Y598 HydrophobicContact CD2-CE1 4.04Å; L40-Y598 WeakPolarHBondContact CD2-OH 3.03Å; M590-Y598 HydrophobicContact CE-CD1 3.86Å; M590-Y598 HydrophobicContact CE-CD2 3.73Å; M590-Y598 HydrophobicContact CE-CE1 3.9Å; M590-Y598 HydrophobicContact CE-CE2 3.79Å; M590-Y598 HydrophobicContact CE-CG 3.76Å; M590-Y598 HydrophobicContact CG-CD2 4.07Å; M590-Y598 HydrophobicContact CG-CG 4.5Å; M590-Y598 HydrophobicContact SD-CD2 3.84Å; M590-Y598 HydrophobicContact SD-CE2 3.79Å; M590-Y598 HydrophobicContact SD-CG 4.44Å; L594-Y598 HydrophobicContact CB-CE2 4.31Å; L594-Y598 WeakPolarHBondContact O-CD2 3.35Å; A595-Y598 PolarHBondContact O-N 3.27Å; R596-Y598 VanDerWaalsContact C-N 3.26Å
599	R	89.4	Confident	89.8	Confident	11 Å²	11	28.3 Å²	28.3	4%	0.042	16%	0.156	C	C	.	.			trans	-160.8	160	174.3	64.6	179.4	-174.9	86.5	0.6	109.9	S79 V80 H587 A595 R596	S79-R599 PolarHBondContact O-NH1 2.98Å; S79-R599 PolarHBondContact O-NH2 2.73Å; V80-R599 HydrophobicContact CB-CG 4.36Å; V80-R599 HydrophobicContact CG2-CG 3.99Å; H587-R599 PolarHBondContact O-NE 2.93Å; A595-R599 PolarHBondContact O-N 3.28Å; R596-R599 WeakPolarHBondContact CA-O 3.32Å
600	D	91.7	Very high	89.2	Confident	19 Å²	19	29 Å²	29	10%	0.102	16%	0.16	C	C	.	.			trans	-97.4	-175.7	165.9	-137	-33	0	0	0	111.9	N81 R596	N81-D600 PolarHBondContact ND2-OD1 3.27Å; R596-D600 IonicContact CZ-OD1 2.75Å; R596-D600 IonicContact CZ-OD2 2.88Å; R596-D600 IonicContact NE-OD1 2.73Å; R596-D600 IonicContact NE-OD2 3.62Å; R596-D600 PolarHBondContact NE-OD2 2.88Å; R596-D600 IonicContact NH2-OD1 3.23Å; R596-D600 IonicContact NH2-OD2 3.7Å
601	D	92.2	Very high	88.7	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.16	C	C	.	.			trans	-56.3	141	161.2	-67.5	-29.8	0	0	0	108.9	S79 V80 N81 V84 E85 D86 G532	S79-D601 WeakPolarHBondContact CA-OD1 3.28Å; V80-D601 PolarHBondContact N-OD1 3.49Å; N81-D601 WeakPolarHBondContact CB-OD2 3.5Å; N81-D601 PolarHBondContact N-OD1 3.25Å; N81-D601 PolarHBondContact ND2-OD2 2.8Å; V84-D601 HydrophobicContact CG1-CB 4.45Å; E85-D601 PolarHBondContact N-OD2 3.24Å; D86-D601 HydrophobicContact CB-CB 4.07Å; D86-D601 WeakPolarHBondContact OD1-CB 3.4Å; D86-D601 VanDerWaalsContact OD2-C 3.3Å; D86-D601 WeakPolarHBondContact OD2-CB 3.4Å; G532-D601 WeakPolarHBondContact CA-O 3.49Å
602	I	94.7	Very high	88.4	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.2	177.9	-54	-175.2	0	0	0	107.9	Q77 V78 G532 L533 I570 A573 L574 V604	Q77-I602 CarbonylContact C-O 3.55Å; Q77-I602 VanDerWaalsContact CA-O 3.24Å; Q77-I602 WeakPolarHBondContact CA-O 3.49Å; V78-I602 HydrophobicContact CG2-CB 3.76Å; V78-I602 HydrophobicContact CG2-CD1 4.36Å; V78-I602 HydrophobicContact CG2-CG1 4.23Å; V78-I602 PolarHBondContact N-O 2.83Å; V78-I602 PolarHBondContact O-N 3.39Å; G532-I602 WeakPolarHBondContact O-CD1 3.48Å; G532-I602 WeakPolarHBondContact O-CG1 3.29Å; L533-I602 HydrophobicContact CB-CG2 3.96Å; L533-I602 HydrophobicContact CD1-CG2 4.22Å; I570-I602 HydrophobicContact CG1-CG2 4.02Å; A573-I602 HydrophobicContact CB-CD1 4.46Å; L574-I602 HydrophobicContact CD1-CD1 4.49Å; L574-I602 HydrophobicContact CD2-CD1 3.8Å; L574-I602 HydrophobicContact CG-CD1 4.1Å; I602-V604 HydrophobicContact CG2-CG2 3.93Å
603	T	95.3	Very high	88	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	131.8	175.4	-58.9	0	0	0	0	110.1	Q77 D86 W88 V123 G529 T530	Q77-T603 HydrophobicContact CB-CG2 4.41Å; Q77-T603 WeakPolarHBondContact CG-OG1 3.48Å; Q77-T603 PolarHBondContact NE2-OG1 2.96Å; D86-T603 WeakPolarHBondContact CB-OG1 3.49Å; D86-T603 WeakPolarHBondContact OD2-CB 3.47Å; D86-T603 PolarHBondContact OD2-N 2.8Å; D86-T603 PolarHBondContact OD2-OG1 2.89Å; W88-T603 HydrophobicContact CB-CG2 3.74Å; W88-T603 HydrophobicContact CG-CG2 4.06Å; V123-T603 HydrophobicContact CG1-CG2 4.47Å; G529-T603 WeakPolarHBondContact CA-O 3.26Å; T530-T603 PolarHBondContact N-O 3.36Å; T530-T603 VanDerWaalsContact N-O 3.1Å; T530-T603 PolarHBondContact OG1-N 3Å
604	V	96.9	Very high	86.8	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	136.9	-172.5	-171	0	0	0	0	110.7	A75 N76 I527 L528 L533 A566 L569 I570 I602 V606	A75-V604 CarbonylContact C-O 3.56Å; A75-V604 WeakPolarHBondContact CA-O 3.37Å; N76-V604 PolarHBondContact N-O 3.31Å; N76-V604 PolarHBondContact O-N 2.9Å; I527-V604 HydrophobicContact CG2-CG1 4.19Å; L528-V604 CarbonylContact O-C 3.52Å; L528-V604 WeakPolarHBondContact O-CA 3.47Å; L533-V604 HydrophobicContact CB-CG2 4.32Å; L533-V604 HydrophobicContact CD1-CG2 3.94Å; L533-V604 HydrophobicContact CD2-CG1 4.21Å; L533-V604 HydrophobicContact CD2-CG2 3.83Å; L533-V604 HydrophobicContact CG-CG2 4.23Å; A566-V604 HydrophobicContact CB-CB 4.47Å; A566-V604 HydrophobicContact CB-CG1 4.48Å; L569-V604 HydrophobicContact CD1-CG1 3.63Å; I570-V604 HydrophobicContact CG1-CG2 4.23Å; I602-V604 HydrophobicContact CG2-CG2 3.93Å; V604-V606 HydrophobicContact CG1-CG2 4.15Å
605	I	97.3	Very high	85.2	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.2	164.3	-49.9	175.1	0	0	0	107.9	F73 S74 A75 W88 F121 V123 I527 L528 V607	F73-I605 HydrophobicContact CD2-CG2 3.96Å; S74-I605 WeakPolarHBondContact O-CA 3.13Å; A75-I605 HydrophobicContact CB-CG1 4.24Å; W88-I605 HydrophobicContact CB-CD1 4.05Å; W88-I605 HydrophobicContact CB-CG1 4.19Å; W88-I605 HydrophobicContact CE3-CD1 4.13Å; W88-I605 HydrophobicContact CE3-CG1 4.37Å; F121-I605 HydrophobicContact CB-CD1 4.29Å; F121-I605 HydrophobicContact CD1-CG2 4.04Å; V123-I605 HydrophobicContact CG1-CD1 3.91Å; V123-I605 HydrophobicContact CG1-CG1 3.83Å; I527-I605 WeakPolarHBondContact CA-O 3.29Å; L528-I605 HydrophobicContact CB-CB 4.31Å; L528-I605 PolarHBondContact N-O 3.05Å; L528-I605 PolarHBondContact O-N 2.9Å; I605-V607 HydrophobicContact CG2-CG2 3.81Å
606	V	97.8	Very high	82.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.9	169.5	-179.3	0	0	0	0	108.7	F73 S74 L526 V546 A565 A566 L569 V604 Y608	F73-V606 CarbonylContact C-O 3.56Å; F73-V606 WeakPolarHBondContact CA-O 3.45Å; F73-V606 WeakPolarHBondContact CB-O 3.47Å; S74-V606 PolarHBondContact N-O 3.16Å; S74-V606 PolarHBondContact O-N 2.87Å; L526-V606 CarbonylContact O-C 3.56Å; L526-V606 WeakPolarHBondContact O-CA 3.47Å; V546-V606 HydrophobicContact CG1-CG1 3.62Å; V546-V606 HydrophobicContact CG2-CG1 4.22Å; V546-V606 HydrophobicContact CG2-CG2 4.14Å; A565-V606 HydrophobicContact CB-CB 4.07Å; A565-V606 HydrophobicContact CB-CG1 3.85Å; A565-V606 HydrophobicContact CB-CG2 3.99Å; A566-V606 HydrophobicContact CB-CG2 4.39Å; L569-V606 HydrophobicContact CD1-CG2 3.54Å; V604-V606 HydrophobicContact CG1-CG2 4.15Å; V606-Y608 HydrophobicContact CG1-CE2 4.09Å
607	V	95.9	Very high	80.5	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.3	179	-173.7	0	0	0	0	109.1	F73 F121 I370 F525 L526 I605	F73-V607 HydrophobicContact CB-CB 4.32Å; F73-V607 HydrophobicContact CB-CG1 4.44Å; F73-V607 HydrophobicContact CB-CG2 4Å; F121-V607 HydrophobicContact CD1-CG2 3.74Å; F121-V607 HydrophobicContact CD2-CG1 4.49Å; F121-V607 HydrophobicContact CD2-CG2 3.85Å; F121-V607 HydrophobicContact CE1-CG2 3.72Å; F121-V607 HydrophobicContact CE2-CB 4.45Å; F121-V607 HydrophobicContact CE2-CG1 3.77Å; F121-V607 HydrophobicContact CE2-CG2 3.83Å; F121-V607 HydrophobicContact CG-CG2 3.79Å; F121-V607 HydrophobicContact CZ-CB 4.45Å; F121-V607 HydrophobicContact CZ-CG1 3.77Å; F121-V607 HydrophobicContact CZ-CG2 3.75Å; I370-V607 HydrophobicContact CD1-CG1 4.32Å; F525-V607 CarbonylContact C-O 3.49Å; F525-V607 WeakPolarHBondContact CA-O 3.39Å; F525-V607 VanDerWaalsContact CB-O 3.31Å; F525-V607 WeakPolarHBondContact CB-O 3.18Å; L526-V607 HydrophobicContact CB-CB 4.31Å; L526-V607 PolarHBondContact N-O 2.89Å; L526-V607 PolarHBondContact O-N 3.33Å; I605-V607 HydrophobicContact CG2-CG2 3.81Å
608	Y	93.4	Very high	80.4	Confident	5 Å²	5	31.9 Å²	31.9	2%	0.02	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	120.9	170.1	-69.1	-82	0	0	0	109.4	I72 F525 V546 H549 W550 P557 A565 V606 F613	I72-Y608 HydrophobicContact CG2-CD2 4.19Å; I72-Y608 PolarHBondContact O-N 2.94Å; F525-Y608 HydrophobicContact CB-CD1 3.99Å; F525-Y608 HydrophobicContact CB-CE1 4.28Å; F525-Y608 HydrophobicContact CD1-CE1 4.29Å; V546-Y608 HydrophobicContact CG1-CE1 4.13Å; H549-Y608 AromaticContact ND1-CZ 3.94Å; H549-Y608 PolarHBondContact ND1-OH 2.85Å; W550-Y608 HydrophobicContact CB-CE1 4.06Å; W550-Y608 AromaticContact CD1-CD1 3.85Å; W550-Y608 AromaticContact CD1-CE1 3.64Å; W550-Y608 HydrophobicContact CG-CE1 4.19Å; P557-Y608 HydrophobicContact CB-CD2 3.83Å; P557-Y608 HydrophobicContact CB-CE1 4.2Å; P557-Y608 HydrophobicContact CB-CE2 3.33Å; P557-Y608 HydrophobicContact CB-CG 4.42Å; P557-Y608 HydrophobicContact CG-CD1 3.83Å; P557-Y608 HydrophobicContact CG-CD2 3.36Å; P557-Y608 HydrophobicContact CG-CE1 3.9Å; P557-Y608 HydrophobicContact CG-CE2 3.42Å; P557-Y608 VanDerWaalsContact CG-CE2 3.42Å; P557-Y608 HydrophobicContact CG-CG 3.57Å; A565-Y608 HydrophobicContact CB-CE2 4.47Å; A565-Y608 WeakPolarHBondContact CB-OH 3.48Å; V606-Y608 HydrophobicContact CG1-CE2 4.09Å; Y608-F613 HydrophobicContact CG-CZ 4.4Å
609	L	90	Very high	80.1	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	18%	0.175	C	C	.	.			trans	-75.8	152.4	-176.8	-64.8	173.3	0	0	0	110.5	I370 I389 L518 D523 H524 L526 T611 A612 F613	I370-L609 HydrophobicContact CD1-CD2 3.91Å; I389-L609 HydrophobicContact CD1-CD1 4.2Å; I389-L609 HydrophobicContact CG1-CD1 4.46Å; L518-L609 HydrophobicContact CD1-CD1 4.26Å; L518-L609 HydrophobicContact CD1-CD2 4.22Å; L518-L609 HydrophobicContact CD2-CD1 3.81Å; D523-L609 HydrophobicContact CB-CD1 4.07Å; H524-L609 WeakPolarHBondContact O-CB 3.3Å; H524-L609 PolarHBondContact O-N 3.2Å; L526-L609 HydrophobicContact CD1-CD2 3.76Å; L526-L609 HydrophobicContact CG-CD1 4.3Å; L526-L609 HydrophobicContact CG-CD2 4.08Å; L526-L609 HydrophobicContact CG-CG 4.34Å; L609-T611 WeakPolarHBondContact CB-OG1 3.46Å; L609-T611 PolarHBondContact O-N 2.87Å; L609-T611 VanDerWaalsContact O-N 3.16Å; L609-A612 VanDerWaalsContact O-CB 3.24Å; L609-A612 WeakPolarHBondContact O-CB 3.5Å; L609-A612 PolarHBondContact O-N 3.01Å; L609-F613 WeakPolarHBondContact O-CD2 3.35Å; L609-F613 WeakPolarHBondContact O-CE2 3.48Å
610	P	77	Confident	79.6	Confident	29 Å²	29	31.6 Å²	31.6	19%	0.188	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-55.8	-32.5	174.8	-22.9	31.8	0	0	0	113.1	R374 A612 F613	R374-P610 HydrophobicContact CB-CG 3.9Å; R374-P610 HydrophobicContact CG-CG 4.24Å; P610-A612 PolarHBondContact O-N 2.53Å; P610-A612 VanDerWaalsContact O-N 3.15Å; P610-F613 PolarHBondContact O-N 2.72Å
611	T	78.1	Confident	78.9	Confident	12 Å²	12	32.4 Å²	32.4	7%	0.074	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-62.9	-14.3	176.6	43.6	0	0	0	0	114	L518 D523 L609	L518-T611 HydrophobicContact CB-CG2 4.37Å; D523-T611 VanDerWaalsContact O-CB 3.28Å; D523-T611 WeakPolarHBondContact O-CB 3.4Å; D523-T611 PolarHBondContact O-OG1 3.29Å; L609-T611 WeakPolarHBondContact CB-OG1 3.46Å; L609-T611 PolarHBondContact O-N 2.87Å; L609-T611 VanDerWaalsContact O-N 3.16Å
612	A	77.6	Confident	78.1	Confident	5 Å²	5	34.4 Å²	34.4	4%	0.041	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-80.7	-14.2	172.7	0	0	0	0	0	113.9	H524 L609 P610	H524-A612 HydrophobicContact CB-CB 4.03Å; H524-A612 WeakPolarHBondContact O-CB 3.21Å; L609-A612 VanDerWaalsContact O-CB 3.24Å; L609-A612 WeakPolarHBondContact O-CB 3.5Å; L609-A612 PolarHBondContact O-N 3.01Å; P610-A612 PolarHBondContact O-N 2.53Å; P610-A612 VanDerWaalsContact O-N 3.15Å
613	F	74.7	Confident	77	Confident	42 Å²	42	36.7 Å²	36.7	18%	0.184	21%	0.212	C	C	.	.	S	Bend	trans	-115.6	123.4	-177.1	-51.3	-71.6	0	0	0	107.9	I72 G555 P557 Y608 L609 P610 D615	I72-F613 HydrophobicContact CD1-CE1 4.18Å; I72-F613 HydrophobicContact CD1-CE2 4.02Å; I72-F613 HydrophobicContact CD1-CZ 3.63Å; G555-F613 WeakPolarHBondContact O-CE1 3.42Å; P557-F613 HydrophobicContact CG-CE1 4.46Å; P557-F613 HydrophobicContact CG-CZ 4.24Å; Y608-F613 HydrophobicContact CG-CZ 4.4Å; L609-F613 WeakPolarHBondContact O-CD2 3.35Å; L609-F613 WeakPolarHBondContact O-CE2 3.48Å; P610-F613 PolarHBondContact O-N 2.72Å; F613-D615 PolarHBondContact O-N 3.25Å
614	C	58.4	Low	75.7	Confident	42 Å²	42	39.3 Å²	39.3	28%	0.284	23%	0.227	S	C	.	.			trans	-74	65.2	172.4	-81.6	0	0	0	0	111.2	S405 I406 D407	S405-C614 WeakPolarHBondContact O-CB 3.41Å; I406-C614 PolarHBondContact O-SG 3.22Å; D407-C614 WeakPolarHBondContact CA-SG 3.27Å; D407-C614 HydrophobicContact CB-CB 3.86Å; D407-C614 PolarHBondContact N-SG 2.85Å
615	D	50.3	Low	74	Confident	124 Å²	124	42.3 Å²	42.3	66%	0.663	24%	0.244	S	C	*	.			trans	-96.6	126.4	154.1	-71.7	-27.8	0	0	0	106.2	F613 I617	F613-D615 PolarHBondContact O-N 3.25Å; D615-I617 PolarHBondContact O-N 3.44Å
616	S	36.8	Very low	72.1	Confident	123 Å²	123	45.8 Å²	45.8	86%	0.86	27%	0.265	S	S	*	.			trans	-48.8	110.8	173.9	53	0	0	0	0	109.5
617	I	34.9	Very low	69.7	Low	165 Å²	165	50 Å²	50	85%	0.846	29%	0.289	S	S	*	.			trans	-58.5	0	173	-66	175.8	0	0	0	109.8	D615	D615-I617 PolarHBondContact O-N 3.44Å

Retrieved 617 of 617 residues in 1289.4 ms (Link to these results)

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