A0A087X3J1_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087X3J1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 606 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	40.2	Very low	36.1	Very low	230 Å²	230	148.7 Å²	148.7	100%	1.133	84%	0.843	S	S	*	*				0	105.6	0	-98.2	-167.6	173.5	0	0	105.9
2	D	36.6	Very low	35.7	Very low	155 Å²	155	150 Å²	150	83%	0.829	85%	0.846	S	S	*	*			trans	-136.1	142.2	-154.1	-54.4	-85.8	0	0	0	109.4
3	G	35.8	Very low	35.4	Very low	66 Å²	66	149.5 Å²	149.5	68%	0.68	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-68.8	144.8	-164.9	0	0	0	0	0	114.3
4	P	46.1	Very low	35	Very low	132 Å²	132	149.3 Å²	149.3	86%	0.857	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-71.1	139.4	-178.8	29	-34.5	0	0	0	112.5
5	H	34.8	Very low	34.7	Very low	188 Å²	188	146.3 Å²	146.3	87%	0.87	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-66.3	142.9	-179.1	-74.4	-109.1	0	0	0	113.5
6	A	35.4	Very low	34.5	Very low	105 Å²	105	148.6 Å²	148.6	87%	0.868	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-79.3	125.7	159.8	0	0	0	0	0	110.4
7	A	34.5	Very low	34.5	Very low	95 Å²	95	151.7 Å²	151.7	79%	0.785	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-94.2	144.6	177.8	0	0	0	0	0	112.1
8	R	35.4	Very low	34.2	Very low	237 Å²	237	147.3 Å²	147.3	89%	0.894	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-98.3	142.2	174.9	-71.2	177.6	170.8	179	-3.6	111.2
9	F	30.7	Very low	33.9	Very low	202 Å²	202	150.5 Å²	150.5	89%	0.886	83%	0.832	S	S	*	*			trans	-141.5	166.5	157.5	-84.7	-67.3	0	0	0	109.4
10	P	35.8	Very low	33.7	Very low	98 Å²	98	149.3 Å²	149.3	64%	0.636	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-91.7	171.1	-145.2	36.7	-38.9	0	0	0	115.3
11	P	31.7	Very low	33.6	Very low	128 Å²	128	148 Å²	148	83%	0.831	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-77.1	131.2	164.2	32.4	-32.8	0	0	0	111
12	D	31.3	Very low	33	Very low	164 Å²	164	141.8 Å²	141.8	88%	0.877	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-99.4	146.6	168.9	-96.1	-42.6	0	0	0	111.5
13	D	32.2	Very low	32.8	Very low	144 Å²	144	143.8 Å²	143.8	77%	0.77	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-101	117.9	-171.2	177.5	17.5	0	0	0	111.9
14	N	29.8	Very low	32.4	Very low	146 Å²	146	147.7 Å²	147.7	78%	0.781	82%	0.816	S	S	*	*			trans	-168.1	112.5	149.5	-117.6	-75.3	0	0	0	113.9
15	S	29.5	Very low	31.8	Very low	104 Å²	104	146.9 Å²	146.9	73%	0.727	81%	0.811	S	S	*	*			trans	-148.8	74.7	154.2	71.5	0	0	0	0	112.3	F17	S15-F17 PolarHBondContact O-N 3.1Å; S15-F17 VanDerWaalsContact O-N 3.1Å
16	H	32.7	Very low	31.9	Very low	183 Å²	183	141.7 Å²	141.7	85%	0.847	80%	0.8	S	S	*	*			trans	-66.9	102	166	-110.1	37.1	0	0	0	110.4
17	F	33.3	Very low	31.9	Very low	202 Å²	202	146.1 Å²	146.1	89%	0.886	80%	0.8	S	S	*	*			trans	-128.1	142.5	160.7	-96.6	-86.2	0	0	0	110.8	S15	S15-F17 PolarHBondContact O-N 3.1Å; S15-F17 VanDerWaalsContact O-N 3.1Å
18	G	29.2	Very low	32.8	Very low	73 Å²	73	151.2 Å²	151.2	75%	0.753	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-66.1	134.6	-163.4	0	0	0	0	0	114	T20	G18-T20 PolarHBondContact O-N 3.36Å
19	K	28.9	Very low	33.7	Very low	207 Å²	207	147.2 Å²	147.2	90%	0.9	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-59.1	128.2	166.4	-68	177.4	178.9	176.1	0	109.1
20	T	31	Very low	35.3	Very low	126 Å²	126	141.5 Å²	141.5	77%	0.773	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-59.6	143.2	166.9	39.9	0	0	0	0	109.9	G18 S22	G18-T20 PolarHBondContact O-N 3.36Å; T20-S22 PolarHBondContact O-N 2.87Å; T20-S22 VanDerWaalsContact O-N 3.16Å
21	P	31.3	Very low	37.2	Very low	124 Å²	124	138 Å²	138	81%	0.805	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-63.4	118.7	175	-20	32.5	0	0	0	109.7	E23	P21-E23 PolarHBondContact O-N 3.16Å
22	S	27.6	Very low	39.5	Very low	99 Å²	99	137.1 Å²	137.1	69%	0.692	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-63.5	121.2	169.6	54.6	0	0	0	0	109.1	T20 L24	T20-S22 PolarHBondContact O-N 2.87Å; T20-S22 VanDerWaalsContact O-N 3.16Å; S22-L24 PolarHBondContact O-N 3.04Å
23	E	32.3	Very low	41.7	Very low	196 Å²	196	134.7 Å²	134.7	92%	0.916	72%	0.719	S	S	*	*			trans	-61.5	100.1	172.8	-72.3	-169.1	117.8	0	0	109.9	P21	P21-E23 PolarHBondContact O-N 3.16Å
24	L	27.9	Very low	43.9	Very low	148 Å²	148	129.3 Å²	129.3	78%	0.775	69%	0.689	S	S	*	*			trans	-64.8	129	167.5	-71.2	170.1	0	0	0	107.6	S22 A26	S22-L24 PolarHBondContact O-N 3.04Å; L24-A26 PolarHBondContact O-N 2.84Å; L24-A26 VanDerWaalsContact O-N 3.08Å
25	P	31.8	Very low	45.3	Very low	116 Å²	116	128.5 Å²	128.5	75%	0.753	68%	0.681	S	S	*	*			trans	-59	121.1	-179.2	23.7	-33.4	0	0	0	109.1	K27	P25-K27 PolarHBondContact O-N 2.97Å
26	A	37.1	Very low	46.6	Very low	79 Å²	79	131.2 Å²	131.2	65%	0.653	68%	0.681	S	S	*	*			trans	-53.6	111.8	-178.2	0	0	0	0	0	109.4	L24 R28	L24-A26 PolarHBondContact O-N 2.84Å; L24-A26 VanDerWaalsContact O-N 3.08Å; A26-R28 PolarHBondContact O-N 3.35Å; A26-R28 VanDerWaalsContact O-N 3.1Å
27	K	36.6	Very low	47.6	Very low	198 Å²	198	125.7 Å²	125.7	86%	0.861	66%	0.655	S	S	*	*			trans	-57.5	121.1	179.3	-72.9	-177.2	177.4	178.8	0	107.6	P25 Q29	P25-K27 PolarHBondContact O-N 2.97Å; K27-Q29 VanDerWaalsContact C-N 3.29Å; K27-Q29 PolarHBondContact O-N 3.28Å
28	R	53.1	Low	48.6	Very low	202 Å²	202	121.3 Å²	121.3	76%	0.762	64%	0.637	S	S	*	*			trans	-57.8	90.7	177.2	-71.6	-176.8	176.6	-174.4	-2.9	109.7	A26 A30	A26-R28 PolarHBondContact O-N 3.35Å; A26-R28 VanDerWaalsContact O-N 3.1Å; R28-A30 PolarHBondContact O-N 2.61Å; R28-A30 VanDerWaalsContact O-N 3.15Å
29	Q	53.4	Low	50.2	Low	152 Å²	152	120.2 Å²	120.2	71%	0.71	61%	0.614	S	S	*	*			trans	-77.4	102.5	178.7	-173.8	165.7	47.2	0	0	107.4	K27 V31	K27-Q29 VanDerWaalsContact C-N 3.29Å; K27-Q29 PolarHBondContact O-N 3.28Å; Q29-V31 PolarHBondContact O-N 3.13Å
30	A	65.1	Low	52.2	Low	83 Å²	83	110.4 Å²	110.4	69%	0.686	57%	0.571	S	S	*	*			trans	-56.2	125.8	178	0	0	0	0	0	110	R28 K32	R28-A30 PolarHBondContact O-N 2.61Å; R28-A30 VanDerWaalsContact O-N 3.15Å; A30-K32 PolarHBondContact O-N 2.7Å
31	V	76.3	Confident	53.9	Low	25 Å²	25	107.9 Å²	107.9	15%	0.152	55%	0.55	C	S	.	.			trans	-57.1	123.5	179.1	173.9	0	0	0	0	109.5	Q29 R33 I106 V109	Q29-V31 PolarHBondContact O-N 3.13Å; V31-R33 PolarHBondContact O-N 2.87Å; V31-I106 HydrophobicContact CG1-CG2 3.67Å; V31-I106 HydrophobicContact CG2-CB 4.27Å; V31-I106 HydrophobicContact CG2-CG2 4.14Å; V31-I106 WeakPolarHBondContact CG2-O 3.44Å; V31-V109 HydrophobicContact CG1-CG2 3.89Å
32	K	78.8	Confident	55.9	Low	108 Å²	108	107.5 Å²	107.5	47%	0.47	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	113	-178.3	-53.6	175.9	-174.2	169.9	0	108.8	A30 H34 E108 V109	A30-K32 PolarHBondContact O-N 2.7Å; K32-H34 PolarHBondContact O-CD2 3.42Å; K32-E108 HydrophobicContact CB-CG 4.03Å; K32-E108 HydrophobicContact CD-CG 4.19Å; K32-E108 WeakPolarHBondContact CD-OE1 3.45Å; K32-E108 HydrophobicContact CG-CG 4.38Å; K32-E108 WeakPolarHBondContact O-CA 3.23Å; K32-V109 PolarHBondContact O-N 3.21Å
33	R	78.3	Confident	58.5	Low	114 Å²	114	106 Å²	106	43%	0.43	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	118.9	173	-70.6	-171.8	174.9	-170.3	-2.8	109.9	V31 E93 V109	V31-R33 PolarHBondContact O-N 2.87Å; R33-E93 IonicContact NH1-OE1 3.61Å; R33-E93 IonicContact NH2-OE1 3.77Å; R33-V109 WeakPolarHBondContact CA-O 3.44Å
34	H	77.3	Confident	61.3	Low	31 Å²	31	96.9 Å²	96.9	14%	0.144	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	114.5	-179.1	-60	-86.8	0	0	0	109.6	K32 H38 E108 V109 F110 E111	K32-H34 PolarHBondContact O-CD2 3.42Å; H34-H38 AromaticContact ND1-CD2 3.33Å; H34-H38 PolarHBondContact ND1-CD2 3.08Å; H34-H38 VanDerWaalsContact ND1-CD2 3.33Å; H34-H38 AromaticContact ND1-NE2 3.99Å; H34-E108 IonicContact CD2-OE1 2.65Å; H34-E108 IonicContact CE1-OE1 3.71Å; H34-E108 IonicContact NE2-OE1 3.53Å; H34-E108 PolarHBondContact NE2-OE1 2.89Å; H34-V109 PolarHBondContact N-O 3.33Å; H34-F110 HydrophobicContact CB-CD1 3.45Å; H34-F110 VanDerWaalsContact CB-CD1 3.45Å; H34-F110 HydrophobicContact CB-CE1 3.8Å; H34-F110 HydrophobicContact CB-CG 4.18Å; H34-F110 AromaticContact CD2-CD1 3.7Å; H34-F110 AromaticContact CD2-CE1 3.24Å; H34-F110 WeakPolarHBondContact CD2-CE1 3.41Å; H34-F110 AromaticContact CD2-CZ 3.47Å; H34-F110 VanDerWaalsContact CD2-CZ 3.47Å; H34-F110 WeakPolarHBondContact CD2-CZ 3.44Å; H34-F110 AromaticContact CG-CD1 3.73Å; H34-F110 AromaticContact CG-CE1 3.5Å; H34-F110 AromaticContact NE2-CE1 3.78Å; H34-F110 AromaticContact NE2-CZ 3.8Å; H34-F110 WeakPolarHBondContact O-CA 3.41Å; H34-E111 PolarHBondContact O-N 2.94Å
35	H	59	Low	64.4	Low	129 Å²	129	95.2 Å²	95.2	60%	0.597	46%	0.461	S	S	*	.			trans	-90.8	-9.4	-176.3	-63.4	99.7	0	0	0	114	E111	H35-E111 CarbonylContact C-O 3.46Å; H35-E111 WeakPolarHBondContact CA-O 3.2Å; H35-E111 VanDerWaalsContact O-O 3.08Å
36	H	58	Low	67.2	Low	160 Å²	160	92.3 Å²	92.3	74%	0.741	44%	0.437	S	S	*	.	S	Bend	trans	-141.2	179.3	-174.4	-96.1	45.8	0	0	0	111.9	H38	H36-H38 VanDerWaalsContact C-N 3.26Å; H36-H38 PolarHBondContact O-N 3.43Å
37	K	53.2	Low	69.9	Low	67 Å²	67	91.3 Å²	91.3	29%	0.291	42%	0.42	S	S	.	.			trans	-69.7	41.9	-151.5	-136.7	170.1	-162.5	171.5	0	117.6	N39 L516 S517 S518 F521	K37-N39 PolarHBondContact O-N 2.95Å; K37-N39 VanDerWaalsContact O-N 3.08Å; K37-L516 HydrophobicContact CB-CD2 4.4Å; K37-L516 HydrophobicContact CD-CD2 4.35Å; K37-L516 WeakPolarHBondContact CE-O 3.35Å; K37-L516 PolarHBondContact NZ-O 3.2Å; K37-S517 VanDerWaalsContact CE-C 3.48Å; K37-S517 VanDerWaalsContact CE-O 3.28Å; K37-S517 WeakPolarHBondContact CE-O 3.2Å; K37-S518 VanDerWaalsContact CE-CA 3.41Å; K37-S518 PolarHBondContact NZ-OG 3.5Å; K37-F521 HydrophobicContact CG-CE2 4.2Å
38	H	53.4	Low	72.6	Confident	111 Å²	111	86 Å²	86	51%	0.514	40%	0.399	S	S	.	.			trans	-58.6	116.3	169.7	-76.8	-59	0	0	0	110.4	H34 H36 L40 F110	H34-H38 AromaticContact ND1-CD2 3.33Å; H34-H38 PolarHBondContact ND1-CD2 3.08Å; H34-H38 VanDerWaalsContact ND1-CD2 3.33Å; H34-H38 AromaticContact ND1-NE2 3.99Å; H36-H38 VanDerWaalsContact C-N 3.26Å; H36-H38 PolarHBondContact O-N 3.43Å; H38-L40 PolarHBondContact O-N 2.74Å; H38-F110 HydrophobicContact CB-CE1 4.16Å
39	N	63.8	Low	74.6	Confident	50 Å²	50	77.9 Å²	77.9	27%	0.267	37%	0.372	S	S	.	.			trans	-70.1	94.5	-166.4	-167	-35.1	0	0	0	110.8	K37 K41 H42 S520	K37-N39 PolarHBondContact O-N 2.95Å; K37-N39 VanDerWaalsContact O-N 3.08Å; N39-K41 PolarHBondContact O-N 3.17Å; N39-H42 HydrophobicContact CB-CB 4.41Å; N39-H42 VanDerWaalsContact CG-CD2 3.42Å; N39-H42 PolarHBondContact ND2-CD2 2.83Å; N39-H42 PolarHBondContact ND2-NE2 2.93Å; N39-H42 WeakPolarHBondContact O-CB 3.38Å; N39-H42 PolarHBondContact O-N 2.87Å; N39-S520 WeakPolarHBondContact CA-OG 3.48Å; N39-S520 WeakPolarHBondContact OD1-CB 3.43Å; N39-S520 PolarHBondContact OD1-OG 3.1Å; N39-S520 VanDerWaalsContact OD1-OG 3.07Å
40	L	69.9	Low	76.3	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-57.3	-37.2	-174.7	-83.9	102.9	0	0	0	112.1	H38 H42 R43 Y44 F110 V117 S520 F521	H38-L40 PolarHBondContact O-N 2.74Å; L40-H42 PolarHBondContact O-N 2.84Å; L40-R43 PolarHBondContact O-N 2.82Å; L40-Y44 HydrophobicContact CD2-CD2 4.14Å; L40-Y44 HydrophobicContact CD2-CE2 4.42Å; L40-Y44 PolarHBondContact O-N 2.98Å; L40-F110 HydrophobicContact CD1-CB 4.31Å; L40-F110 HydrophobicContact CD1-CD1 3.96Å; L40-F110 HydrophobicContact CD1-CD2 4.33Å; L40-F110 HydrophobicContact CD1-CE1 4.45Å; L40-F110 HydrophobicContact CD1-CG 3.94Å; L40-F110 HydrophobicContact CD2-CD2 4.02Å; L40-F110 HydrophobicContact CD2-CE2 4.13Å; L40-F110 HydrophobicContact CD2-CG 4.45Å; L40-F110 HydrophobicContact CG-CD1 4.45Å; L40-F110 HydrophobicContact CG-CD2 4.42Å; L40-F110 HydrophobicContact CG-CE1 4.5Å; L40-F110 HydrophobicContact CG-CE2 4.47Å; L40-F110 HydrophobicContact CG-CG 4.45Å; L40-V117 HydrophobicContact CD2-CG1 3.93Å; L40-S520 PolarHBondContact N-OG 3.15Å; L40-S520 VanDerWaalsContact N-OG 3.1Å; L40-F521 HydrophobicContact CD1-CD1 4.11Å; L40-F521 HydrophobicContact CD1-CE1 3.35Å; L40-F521 HydrophobicContact CD1-CE2 4.39Å; L40-F521 HydrophobicContact CD1-CZ 3.52Å
41	K	66.9	Low	77.2	Confident	73 Å²	73	67.2 Å²	67.2	32%	0.317	31%	0.31	S	S	.	.	H	α-helix	trans	-55.5	-36.1	176.5	-64.9	-175.1	-179	-179.2	0	112.6	N39 R43 E519	N39-K41 PolarHBondContact O-N 3.17Å; K41-R43 VanDerWaalsContact C-N 3.29Å; K41-R43 PolarHBondContact O-N 2.87Å; K41-E519 WeakPolarHBondContact CE-O 3.45Å; K41-E519 PolarHBondContact NZ-O 3.05Å
42	H	74.1	Confident	77.5	Confident	115 Å²	115	73 Å²	73	53%	0.532	33%	0.332	S	S	.	.	H	α-helix	trans	-71.7	-24.3	179.8	-69	-21.1	0	0	0	112.6	N39 L40 R64	N39-H42 HydrophobicContact CB-CB 4.41Å; N39-H42 VanDerWaalsContact CG-CD2 3.42Å; N39-H42 PolarHBondContact ND2-CD2 2.83Å; N39-H42 PolarHBondContact ND2-NE2 2.93Å; N39-H42 WeakPolarHBondContact O-CB 3.38Å; N39-H42 PolarHBondContact O-N 2.87Å; L40-H42 PolarHBondContact O-N 2.84Å; H42-R64 PolarHBondContact O-NE 3.42Å; H42-R64 PolarHBondContact O-NH2 2.83Å
43	R	82.9	Confident	77.2	Confident	69 Å²	69	69.1 Å²	69.1	26%	0.26	32%	0.324	S	S	.	.	H	α-helix	trans	-103.6	-24.2	-177.3	-53	-167.6	-40.5	143	42	114.1	L40 K41 R64 E108	L40-R43 PolarHBondContact O-N 2.82Å; K41-R43 VanDerWaalsContact C-N 3.29Å; K41-R43 PolarHBondContact O-N 2.87Å; R43-R64 PolarHBondContact O-N 2.98Å; R43-R64 VanDerWaalsContact O-N 3.13Å; R43-E108 IonicContact CZ-OE1 2.93Å; R43-E108 IonicContact CZ-OE2 3.67Å; R43-E108 IonicContact NH1-OE1 3.33Å; R43-E108 PolarHBondContact NH1-OE1 3.46Å; R43-E108 IonicContact NH1-OE2 3.46Å; R43-E108 PolarHBondContact NH1-OE2 2.9Å; R43-E108 VanDerWaalsContact NH1-OE2 3.09Å; R43-E108 IonicContact NH2-OE1 2.82Å; R43-E108 IonicContact NH2-OE2 3.46Å; R43-E108 PolarHBondContact NH2-OE2 3.21Å
44	Y	90.3	Very high	76.9	Confident	3 Å²	3	65.4 Å²	65.4	1%	0.012	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.1	-176.7	-61.8	-64.7	0	0	0	112.1	L40 K62 E63 V69 E108 V119	L40-Y44 HydrophobicContact CD2-CD2 4.14Å; L40-Y44 HydrophobicContact CD2-CE2 4.42Å; L40-Y44 PolarHBondContact O-N 2.98Å; Y44-K62 WeakPolarHBondContact CA-O 3.43Å; Y44-E63 HydrophobicContact CD1-CB 3.96Å; Y44-E63 HydrophobicContact CD1-CG 4.34Å; Y44-E63 HydrophobicContact CE1-CB 3.75Å; Y44-E63 HydrophobicContact CE1-CG 3.81Å; Y44-V69 HydrophobicContact CD1-CG2 3.92Å; Y44-V69 HydrophobicContact CE1-CG2 3.9Å; Y44-E108 PolarHBondContact OH-OE2 2.87Å; Y44-E108 VanDerWaalsContact OH-OE2 3.13Å; Y44-V119 HydrophobicContact CE1-CG1 4.19Å; Y44-V119 HydrophobicContact CE2-CG1 4.33Å; Y44-V119 HydrophobicContact CE2-CG2 3.85Å
45	E	92.7	Very high	76.9	Confident	114 Å²	114	65.6 Å²	65.6	53%	0.533	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	114.2	166	175.8	-177.6	-160	0	0	108.3	L47 A61 K62	E45-L47 HydrophobicContact CG-CD2 4.18Å; E45-A61 CarbonylContact O-C 3.59Å; E45-A61 WeakPolarHBondContact O-CA 3.35Å; E45-A61 WeakPolarHBondContact O-CB 3.47Å; E45-K62 HydrophobicContact CB-CB 4.33Å; E45-K62 PolarHBondContact N-O 2.92Å; E45-K62 PolarHBondContact O-N 2.82Å
46	F	92	Very high	78.1	Confident	54 Å²	54	60.3 Å²	60.3	24%	0.237	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	135.6	-179.9	-71.4	-78.8	0	0	0	111.7	K59 A61 V71 L524	F46-K59 HydrophobicContact CD1-CB 4.32Å; F46-A61 HydrophobicContact CD1-CB 3.91Å; F46-A61 HydrophobicContact CE1-CB 4.19Å; F46-V71 HydrophobicContact CE1-CB 4.06Å; F46-V71 HydrophobicContact CE1-CG1 3.99Å; F46-V71 HydrophobicContact CE1-CG2 4.01Å; F46-L524 HydrophobicContact CD1-CD2 4Å; F46-L524 HydrophobicContact CE1-CD2 3.43Å; F46-L524 VanDerWaalsContact CE1-CD2 3.43Å; F46-L524 HydrophobicContact CE1-CG 4.48Å; F46-L524 HydrophobicContact CE2-CD2 4.45Å; F46-L524 HydrophobicContact CZ-CD2 3.69Å; F46-L524 HydrophobicContact CZ-CG 4.3Å
47	L	93.9	Very high	79.6	Confident	59 Å²	59	55.2 Å²	55.2	31%	0.309	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-145.7	-177.8	-52.7	176.1	0	0	0	109.5	E45 K60 K62 L68	E45-L47 HydrophobicContact CG-CD2 4.18Å; L47-K60 HydrophobicContact CB-CB 4.24Å; L47-K60 HydrophobicContact CB-CD 4.47Å; L47-K60 HydrophobicContact CB-CG 4.47Å; L47-K60 HydrophobicContact CD1-CD 4.21Å; L47-K60 HydrophobicContact CD1-CG 4.27Å; L47-K60 PolarHBondContact N-O 3.25Å; L47-K62 HydrophobicContact CD1-CB 4.37Å; L47-L68 HydrophobicContact CD1-CD2 4.04Å
48	E	93.2	Very high	81.4	Confident	86 Å²	86	53.2 Å²	53.2	40%	0.402	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	149.7	-176.1	65.7	-88.8	-154.6	0	0	114.4	L50 K59 K60	E48-L50 HydrophobicContact CG-CD2 4.24Å; E48-L50 PolarHBondContact O-N 3.21Å; E48-K59 WeakPolarHBondContact O-CA 3.44Å; E48-K60 HydrophobicContact CG-CB 4.39Å; E48-K60 HydrophobicContact CG-CD 4.26Å; E48-K60 PolarHBondContact O-N 2.72Å; E48-K60 WeakPolarHBondContact OE1-CD 3.47Å; E48-K60 WeakPolarHBondContact OE1-CE 3.41Å; E48-K60 IonicContact OE1-NZ 2.89Å; E48-K60 PolarHBondContact OE1-NZ 3.02Å; E48-K60 WeakPolarHBondContact OE2-CD 3.24Å
49	T	93.6	Very high	83.4	Confident	32 Å²	32	48.5 Å²	48.5	20%	0.196	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	112.5	167.9	-59.3	0	0	0	0	108.6	G51 K52 K59 D528	T49-G51 WeakPolarHBondContact CG2-O 3.46Å; T49-K52 HydrophobicContact CG2-CG 4.26Å; T49-K59 VanDerWaalsContact OG1-CE 3.29Å; T49-K59 WeakPolarHBondContact OG1-CE 3.42Å; T49-D528 PolarHBondContact OG1-OD1 3.17Å
50	L	89.1	Confident	84.9	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-30.6	179.8	-65.1	172.5	0	0	0	112.6	E48 V58 K60 A70 Y122 M544	E48-L50 HydrophobicContact CG-CD2 4.24Å; E48-L50 PolarHBondContact O-N 3.21Å; L50-V58 HydrophobicContact CB-CG1 4.37Å; L50-V58 HydrophobicContact CD1-CG1 4.37Å; L50-V58 PolarHBondContact N-O 3.02Å; L50-K60 HydrophobicContact CD1-CB 3.88Å; L50-K60 HydrophobicContact CD2-CB 4.08Å; L50-K60 HydrophobicContact CD2-CD 4.49Å; L50-K60 HydrophobicContact CG-CB 3.87Å; L50-A70 HydrophobicContact CD1-CB 4.31Å; L50-Y122 HydrophobicContact CD1-CD2 3.75Å; L50-Y122 HydrophobicContact CD1-CE2 3.6Å; L50-Y122 HydrophobicContact CD2-CE2 3.78Å; L50-Y122 HydrophobicContact CG-CE2 4.36Å; L50-M544 HydrophobicContact CB-CE 3.99Å; L50-M544 HydrophobicContact CB-CG 4.4Å; L50-M544 HydrophobicContact CB-SD 4.39Å; L50-M544 HydrophobicContact CD1-CE 4.37Å; L50-M544 HydrophobicContact CD1-SD 4.48Å; L50-M544 PolarHBondContact O-N 3.13Å
51	G	85.3	Confident	86.1	Confident	7 Å²	7	47.5 Å²	47.5	7%	0.072	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	165.6	-179.1	0	0	0	0	0	113.4	T49 V58	T49-G51 WeakPolarHBondContact CG2-O 3.46Å; G51-V58 PolarHBondContact N-O 2.68Å; G51-V58 PolarHBondContact O-N 2.79Å
52	K	82.9	Confident	87.4	Confident	145 Å²	145	48.2 Å²	48.2	63%	0.63	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.3	175.3	-58.8	172.4	-172.8	169	0	107.5	T49	T49-K52 HydrophobicContact CG2-CG 4.26Å
53	G	72.6	Confident	88.3	Confident	28 Å²	28	44.3 Å²	44.3	29%	0.289	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	176.6	175	0	0	0	0	0	110.3	Y55 G56 S547	G53-Y55 PolarHBondContact O-N 3.1Å; G53-G56 PolarHBondContact N-O 3.09Å; G53-G56 PolarHBondContact O-N 3.24Å; G53-G56 VanDerWaalsContact O-N 3.09Å; G53-S547 WeakPolarHBondContact CA-O 3.42Å
54	T	71.3	Confident	88.5	Confident	36 Å²	36	50.5 Å²	50.5	22%	0.221	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-35.6	-66.2	-173.5	-56.5	0	0	0	0	113.7	G56 S549 D586	T54-G56 VanDerWaalsContact C-N 3.33Å; T54-G56 PolarHBondContact O-N 2.75Å; T54-S549 VanDerWaalsContact OG1-CB 3.28Å; T54-S549 WeakPolarHBondContact OG1-CB 3.33Å; T54-D586 WeakPolarHBondContact CG2-OD1 3.36Å; T54-D586 WeakPolarHBondContact CG2-OD2 3.26Å; T54-D586 PolarHBondContact OG1-OD1 2.89Å; T54-D586 PolarHBondContact OG1-OD2 2.95Å
55	Y	77.3	Confident	88.5	Confident	35 Å²	35	54.3 Å²	54.3	14%	0.137	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-0.6	-167.7	-46.8	-76.9	0	0	0	113.7	G53 I74 R75 I79 D84 I88	G53-Y55 PolarHBondContact O-N 3.1Å; Y55-I74 WeakPolarHBondContact O-CA 3.23Å; Y55-R75 PolarHBondContact O-N 3.07Å; Y55-I79 HydrophobicContact CD1-CG1 3.84Å; Y55-I79 HydrophobicContact CE1-CG1 4.4Å; Y55-D84 HydrophobicContact CE1-CB 4.26Å; Y55-D84 WeakPolarHBondContact CE1-OD2 3.41Å; Y55-D84 PolarHBondContact OH-OD1 3.08Å; Y55-D84 PolarHBondContact OH-OD2 3.23Å; Y55-I88 HydrophobicContact CD1-CD1 4.49Å; Y55-I88 HydrophobicContact CD2-CD1 4.07Å; Y55-I88 HydrophobicContact CE2-CD1 4.31Å; Y55-I88 HydrophobicContact CG-CD1 4.17Å
56	G	84.1	Confident	88.3	Confident	17 Å²	17	50.9 Å²	50.9	18%	0.175	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.1	-140.8	177.4	0	0	0	0	0	116.8	G53 T54 S73	G53-G56 PolarHBondContact N-O 3.09Å; G53-G56 PolarHBondContact O-N 3.24Å; G53-G56 VanDerWaalsContact O-N 3.09Å; T54-G56 VanDerWaalsContact C-N 3.33Å; T54-G56 PolarHBondContact O-N 2.75Å; G56-S73 VanDerWaalsContact CA-O 3.32Å; G56-S73 WeakPolarHBondContact CA-O 3.38Å
57	K	89.3	Confident	88.4	Confident	54 Å²	54	52.4 Å²	52.4	24%	0.235	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	145.8	-167.2	-59.4	178.4	-172	171.7	0	111.2	S73 D525	K57-S73 PolarHBondContact N-O 3.33Å; K57-S73 PolarHBondContact O-N 3.46Å; K57-D525 PolarHBondContact NZ-O 2.92Å
58	V	91.6	Very high	88.5	Confident	24 Å²	24	53 Å²	53	15%	0.145	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116.6	165.1	-173.6	0	0	0	0	108	L50 G51 A70 V71 K72 M120	L50-V58 HydrophobicContact CB-CG1 4.37Å; L50-V58 HydrophobicContact CD1-CG1 4.37Å; L50-V58 PolarHBondContact N-O 3.02Å; G51-V58 PolarHBondContact N-O 2.68Å; G51-V58 PolarHBondContact O-N 2.79Å; V58-A70 HydrophobicContact CG1-CB 4.31Å; V58-V71 WeakPolarHBondContact CA-O 2.73Å; V58-K72 HydrophobicContact CG2-CB 4.13Å; V58-K72 HydrophobicContact CG2-CG 4.28Å; V58-M120 HydrophobicContact CG1-CE 4.09Å
59	K	94.1	Very high	88.6	Confident	13 Å²	13	48.9 Å²	48.9	6%	0.057	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	148.8	171.5	-64.4	-151.8	177.7	-156.8	0	110.5	F46 E48 T49 V71 L524 D528	F46-K59 HydrophobicContact CD1-CB 4.32Å; E48-K59 WeakPolarHBondContact O-CA 3.44Å; T49-K59 VanDerWaalsContact OG1-CE 3.29Å; T49-K59 WeakPolarHBondContact OG1-CE 3.42Å; K59-V71 PolarHBondContact N-O 2.87Å; K59-V71 PolarHBondContact O-N 2.87Å; K59-L524 WeakPolarHBondContact CE-O 3.39Å; K59-D528 IonicContact NZ-OD1 2.69Å; K59-D528 PolarHBondContact NZ-OD1 3.15Å
60	K	95.7	Very high	88.7	Confident	30 Å²	30	47.6 Å²	47.6	13%	0.13	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	146.8	162.7	-169.2	-177.6	-176.9	163.5	0	108.3	L47 E48 L50 Y122	L47-K60 HydrophobicContact CB-CB 4.24Å; L47-K60 HydrophobicContact CB-CD 4.47Å; L47-K60 HydrophobicContact CB-CG 4.47Å; L47-K60 HydrophobicContact CD1-CD 4.21Å; L47-K60 HydrophobicContact CD1-CG 4.27Å; L47-K60 PolarHBondContact N-O 3.25Å; E48-K60 HydrophobicContact CG-CB 4.39Å; E48-K60 HydrophobicContact CG-CD 4.26Å; E48-K60 PolarHBondContact O-N 2.72Å; E48-K60 WeakPolarHBondContact OE1-CD 3.47Å; E48-K60 WeakPolarHBondContact OE1-CE 3.41Å; E48-K60 IonicContact OE1-NZ 2.89Å; E48-K60 PolarHBondContact OE1-NZ 3.02Å; E48-K60 WeakPolarHBondContact OE2-CD 3.24Å; L50-K60 HydrophobicContact CD1-CB 3.88Å; L50-K60 HydrophobicContact CD2-CB 4.08Å; L50-K60 HydrophobicContact CD2-CD 4.49Å; L50-K60 HydrophobicContact CG-CB 3.87Å; K60-Y122 HydrophobicContact CD-CE1 4.13Å; K60-Y122 HydrophobicContact CD-CE2 4.31Å; K60-Y122 VanDerWaalsContact CE-CE1 3.44Å; K60-Y122 WeakPolarHBondContact CE-OH 3.15Å; K60-Y122 HydrophobicContact CG-CE1 4.38Å; K60-Y122 HydrophobicContact CG-CE2 4.28Å; K60-Y122 PolarHBondContact NZ-OH 3.41Å
61	A	95.6	Very high	88.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	163	171	0	0	0	0	0	111	E45 F46 L68 V69 V71	E45-A61 CarbonylContact O-C 3.59Å; E45-A61 WeakPolarHBondContact O-CA 3.35Å; E45-A61 WeakPolarHBondContact O-CB 3.47Å; F46-A61 HydrophobicContact CD1-CB 3.91Å; F46-A61 HydrophobicContact CE1-CB 4.19Å; A61-L68 WeakPolarHBondContact O-CA 3.27Å; A61-V69 HydrophobicContact CB-CG2 3.98Å; A61-V69 PolarHBondContact N-O 2.8Å; A61-V69 PolarHBondContact O-N 3.2Å; A61-V71 HydrophobicContact CB-CG2 3.86Å
62	K	95	Very high	89.3	Confident	87 Å²	87	49 Å²	49	38%	0.378	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121.7	175.3	-174.7	179.9	172	-166.1	0	109.2	Y44 E45 L47 L68	Y44-K62 WeakPolarHBondContact CA-O 3.43Å; E45-K62 HydrophobicContact CB-CB 4.33Å; E45-K62 PolarHBondContact N-O 2.92Å; E45-K62 PolarHBondContact O-N 2.82Å; L47-K62 HydrophobicContact CD1-CB 4.37Å; K62-L68 HydrophobicContact CB-CD2 4.08Å; K62-L68 HydrophobicContact CG-CD2 4.34Å
63	E	92.4	Very high	89.7	Confident	33 Å²	33	42.4 Å²	42.4	15%	0.154	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	154.6	173.7	-172.7	174.9	-116.6	0	0	110.6	Y44 S65 G66 R67	Y44-E63 HydrophobicContact CD1-CB 3.96Å; Y44-E63 HydrophobicContact CD1-CG 4.34Å; Y44-E63 HydrophobicContact CE1-CB 3.75Å; Y44-E63 HydrophobicContact CE1-CG 3.81Å; E63-S65 WeakPolarHBondContact CB-OG 3.26Å; E63-S65 WeakPolarHBondContact CG-OG 3.32Å; E63-S65 PolarHBondContact O-N 3.07Å; E63-S65 PolarHBondContact OE2-OG 3.01Å; E63-G66 PolarHBondContact O-N 2.99Å; E63-R67 HydrophobicContact CB-CB 4.32Å; E63-R67 WeakPolarHBondContact CB-O 3.46Å; E63-R67 PolarHBondContact N-O 3.01Å; E63-R67 IonicContact OE1-CZ 3.83Å; E63-R67 IonicContact OE1-NH2 2.78Å; E63-R67 PolarHBondContact OE1-NH2 3.19Å; E63-R67 IonicContact OE2-CZ 3.3Å; E63-R67 VanDerWaalsContact OE2-CZ 3.3Å; E63-R67 IonicContact OE2-NE 2.83Å; E63-R67 PolarHBondContact OE2-NE 2.86Å; E63-R67 IonicContact OE2-NH2 2.92Å; E63-R67 PolarHBondContact OE2-NH2 2.76Å
64	R	87	Confident	90.5	Very high	200 Å²	200	41.2 Å²	41.2	76%	0.755	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-26	171.7	-75.9	-170.4	-179.6	-164.7	-1.3	114.8	H42 R43 G66	H42-R64 PolarHBondContact O-NE 3.42Å; H42-R64 PolarHBondContact O-NH2 2.83Å; R43-R64 PolarHBondContact O-N 2.98Å; R43-R64 VanDerWaalsContact O-N 3.13Å; R64-G66 PolarHBondContact O-N 3.25Å
65	S	89.2	Confident	91.4	Very high	83 Å²	83	42.9 Å²	42.9	58%	0.58	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-10.2	175.6	62.3	0	0	0	0	114.1	E63 R67	E63-S65 WeakPolarHBondContact CB-OG 3.26Å; E63-S65 WeakPolarHBondContact CG-OG 3.32Å; E63-S65 PolarHBondContact O-N 3.07Å; E63-S65 PolarHBondContact OE2-OG 3.01Å; S65-R67 VanDerWaalsContact C-N 3.31Å; S65-R67 VanDerWaalsContact OG-CB 3.23Å; S65-R67 WeakPolarHBondContact OG-CB 2.95Å; S65-R67 PolarHBondContact OG-N 2.88Å
66	G	90.2	Very high	92	Very high	41 Å²	41	43.1 Å²	43.1	42%	0.423	21%	0.212	S	C	.	.	S	Bend	trans	88.7	-13.1	-167.6	0	0	0	0	0	114.1	E63 R64	E63-G66 PolarHBondContact O-N 2.99Å; R64-G66 PolarHBondContact O-N 3.25Å
67	R	93	Very high	92.2	Very high	87 Å²	87	48.9 Å²	48.9	33%	0.328	23%	0.234	S	C	.	.			trans	-65.7	130.6	-178.7	179.6	169.3	60.7	144	1.9	111.8	E63 S65 V69 Y107	E63-R67 HydrophobicContact CB-CB 4.32Å; E63-R67 WeakPolarHBondContact CB-O 3.46Å; E63-R67 PolarHBondContact N-O 3.01Å; E63-R67 IonicContact OE1-CZ 3.83Å; E63-R67 IonicContact OE1-NH2 2.78Å; E63-R67 PolarHBondContact OE1-NH2 3.19Å; E63-R67 IonicContact OE2-CZ 3.3Å; E63-R67 VanDerWaalsContact OE2-CZ 3.3Å; E63-R67 IonicContact OE2-NE 2.83Å; E63-R67 PolarHBondContact OE2-NE 2.86Å; E63-R67 IonicContact OE2-NH2 2.92Å; E63-R67 PolarHBondContact OE2-NH2 2.76Å; S65-R67 VanDerWaalsContact C-N 3.31Å; S65-R67 VanDerWaalsContact OG-CB 3.23Å; S65-R67 WeakPolarHBondContact OG-CB 2.95Å; S65-R67 PolarHBondContact OG-N 2.88Å; R67-V69 HydrophobicContact CG-CG1 4.28Å; R67-Y107 VanDerWaalsContact NH1-CE2 3.33Å
68	L	95.9	Very high	92	Very high	71 Å²	71	51.3 Å²	51.3	37%	0.372	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	139.6	169.3	-64.9	175.6	0	0	0	110.8	L47 A61 K62 Y122	L47-L68 HydrophobicContact CD1-CD2 4.04Å; A61-L68 WeakPolarHBondContact O-CA 3.27Å; K62-L68 HydrophobicContact CB-CD2 4.08Å; K62-L68 HydrophobicContact CG-CD2 4.34Å; L68-Y122 HydrophobicContact CB-CD1 3.77Å; L68-Y122 HydrophobicContact CB-CE1 4.48Å; L68-Y122 HydrophobicContact CB-CG 4.49Å; L68-Y122 HydrophobicContact CD1-CD1 4.11Å; L68-Y122 HydrophobicContact CD1-CE1 4.05Å
69	V	95.9	Very high	91.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	154.5	179.8	-61.1	0	0	0	0	110.3	Y44 A61 R67 V71 Y107 V119	Y44-V69 HydrophobicContact CD1-CG2 3.92Å; Y44-V69 HydrophobicContact CE1-CG2 3.9Å; A61-V69 HydrophobicContact CB-CG2 3.98Å; A61-V69 PolarHBondContact N-O 2.8Å; A61-V69 PolarHBondContact O-N 3.2Å; R67-V69 HydrophobicContact CG-CG1 4.28Å; V69-V71 HydrophobicContact CG2-CG2 4.1Å; V69-Y107 HydrophobicContact CG1-CD2 4.09Å; V69-Y107 HydrophobicContact CG1-CE2 4.01Å; V69-V119 HydrophobicContact CB-CG1 3.89Å; V69-V119 HydrophobicContact CG1-CG1 4.22Å; V69-V119 HydrophobicContact CG2-CG1 3.82Å
70	A	95.6	Very high	90.9	Very high	4 Å²	4	60.7 Å²	60.7	3%	0.033	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	142.6	167.1	0	0	0	0	0	109.3	L50 V58 M120	L50-A70 HydrophobicContact CD1-CB 4.31Å; V58-A70 HydrophobicContact CG1-CB 4.31Å; A70-M120 HydrophobicContact CB-CE 3.81Å; A70-M120 HydrophobicContact CB-CG 3.89Å; A70-M120 PolarHBondContact N-O 3.32Å; A70-M120 PolarHBondContact O-N 2.81Å
71	V	94.1	Very high	90.2	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	103.2	-177.4	-171.9	0	0	0	0	109.7	F46 V58 K59 A61 V69 V117 I118 V119	F46-V71 HydrophobicContact CE1-CB 4.06Å; F46-V71 HydrophobicContact CE1-CG1 3.99Å; F46-V71 HydrophobicContact CE1-CG2 4.01Å; V58-V71 WeakPolarHBondContact CA-O 2.73Å; K59-V71 PolarHBondContact N-O 2.87Å; K59-V71 PolarHBondContact O-N 2.87Å; A61-V71 HydrophobicContact CB-CG2 3.86Å; V69-V71 HydrophobicContact CG2-CG2 4.1Å; V71-V117 HydrophobicContact CG1-CG1 3.32Å; V71-I118 CarbonylContact C-O 3.57Å; V71-I118 WeakPolarHBondContact CA-O 3.28Å; V71-V119 HydrophobicContact CG1-CG2 4.34Å; V71-V119 HydrophobicContact CG2-CG1 4.44Å; V71-V119 HydrophobicContact CG2-CG2 4.32Å
72	K	92.6	Very high	89.5	Confident	42 Å²	42	67.6 Å²	67.6	18%	0.183	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	109.6	175.8	176.3	173.2	171.6	-178.3	0	108.3	V58 I74 E91 V117 I118 M120	V58-K72 HydrophobicContact CG2-CB 4.13Å; V58-K72 HydrophobicContact CG2-CG 4.28Å; K72-I74 HydrophobicContact CG-CD1 4.46Å; K72-I74 HydrophobicContact CG-CG1 4.22Å; K72-E91 IonicContact NZ-OE1 3.49Å; K72-E91 PolarHBondContact NZ-OE1 2.83Å; K72-E91 IonicContact NZ-OE2 3.67Å; K72-E91 PolarHBondContact NZ-OE2 2.92Å; K72-V117 WeakPolarHBondContact O-CA 3.48Å; K72-I118 HydrophobicContact CB-CB 4.34Å; K72-I118 HydrophobicContact CD-CD1 4.24Å; K72-I118 HydrophobicContact CG-CD1 4.47Å; K72-I118 PolarHBondContact N-O 3.03Å; K72-I118 PolarHBondContact O-N 3.37Å; K72-M120 HydrophobicContact CB-CE 3.92Å; K72-M120 HydrophobicContact CB-SD 4.48Å
73	S	91	Very high	88.9	Confident	5 Å²	5	68.2 Å²	68.2	4%	0.035	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.8	178.2	178.5	0	0	0	0	110.3	G56 K57	G56-S73 VanDerWaalsContact CA-O 3.32Å; G56-S73 WeakPolarHBondContact CA-O 3.38Å; K57-S73 PolarHBondContact N-O 3.33Å; K57-S73 PolarHBondContact O-N 3.46Å
74	I	90.7	Very high	88.4	Confident	4 Å²	4	67.5 Å²	67.5	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	114.5	-174.2	-60	176.5	0	0	0	108	Y55 K72 I79 I88 K115 I116 I118	Y55-I74 WeakPolarHBondContact O-CA 3.23Å; K72-I74 HydrophobicContact CG-CD1 4.46Å; K72-I74 HydrophobicContact CG-CG1 4.22Å; I74-I79 HydrophobicContact CG2-CD1 4.08Å; I74-I88 HydrophobicContact CD1-CG2 3.62Å; I74-I88 HydrophobicContact CG2-CD1 4.07Å; I74-K115 CarbonylContact O-C 3.58Å; I74-K115 WeakPolarHBondContact O-CA 3.43Å; I74-K115 WeakPolarHBondContact O-CB 3.48Å; I74-I116 HydrophobicContact CB-CB 4.26Å; I74-I116 PolarHBondContact N-O 2.81Å; I74-I116 PolarHBondContact O-N 3.34Å; I74-I118 HydrophobicContact CD1-CD1 4.09Å
75	R	89.4	Confident	88.3	Confident	70 Å²	70	59.2 Å²	59.2	26%	0.264	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	123.9	175.8	-79.8	167.5	168	-103.8	17.8	109.8	Y55 E77 K78 D525	Y55-R75 PolarHBondContact O-N 3.07Å; R75-E77 VanDerWaalsContact C-N 3.33Å; R75-E77 HydrophobicContact CB-CG 4.32Å; R75-E77 WeakPolarHBondContact CB-OE1 3.43Å; R75-E77 WeakPolarHBondContact CD-OE1 3.17Å; R75-E77 VanDerWaalsContact CG-OE1 3.29Å; R75-E77 WeakPolarHBondContact CG-OE1 3.46Å; R75-E77 IonicContact CZ-OE1 2.81Å; R75-E77 IonicContact NE-OE1 3.59Å; R75-E77 IonicContact NH1-OE1 3.45Å; R75-E77 PolarHBondContact NH1-OE1 3.4Å; R75-E77 IonicContact NH1-OE2 2.7Å; R75-E77 PolarHBondContact O-N 2.7Å; R75-K78 HydrophobicContact CB-CB 4.44Å; R75-K78 HydrophobicContact CB-CD 4.26Å; R75-K78 HydrophobicContact CB-CG 4.07Å; R75-K78 WeakPolarHBondContact O-CB 3.44Å; R75-K78 PolarHBondContact O-N 2.8Å; R75-D525 VanDerWaalsContact CZ-CG 3.48Å; R75-D525 IonicContact CZ-OD1 3.66Å; R75-D525 VanDerWaalsContact CZ-OD1 3.27Å; R75-D525 IonicContact CZ-OD2 3.39Å; R75-D525 VanDerWaalsContact NE-CG 3.31Å; R75-D525 IonicContact NE-OD1 3.78Å; R75-D525 PolarHBondContact NE-OD1 2.92Å; R75-D525 IonicContact NE-OD2 3.88Å; R75-D525 PolarHBondContact NE-OD2 3.17Å; R75-D525 IonicContact NH2-OD1 3.94Å; R75-D525 PolarHBondContact NH2-OD1 3.35Å; R75-D525 IonicContact NH2-OD2 2.81Å; R75-D525 PolarHBondContact NH2-OD2 3.29Å
76	K	89.9	Confident	88.2	Confident	40 Å²	40	58.2 Å²	58.2	17%	0.174	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-68.8	-31.1	-178.8	-72.3	175	165.8	-175.1	0	112.8	K78 I79 E111 N112 K113 D114 I116	K76-K78 PolarHBondContact O-N 2.84Å; K76-K78 VanDerWaalsContact O-N 3.11Å; K76-I79 HydrophobicContact CG-CD1 4.35Å; K76-I79 WeakPolarHBondContact O-CB 3.12Å; K76-I79 PolarHBondContact O-N 3.45Å; K76-E111 WeakPolarHBondContact CE-OE1 3.17Å; K76-E111 IonicContact NZ-OE1 2.83Å; K76-E111 PolarHBondContact NZ-OE1 2.78Å; K76-N112 PolarHBondContact NZ-O 3.13Å; K76-K113 WeakPolarHBondContact CD-O 3.42Å; K76-D114 WeakPolarHBondContact CB-O 3.41Å; K76-D114 PolarHBondContact N-O 2.92Å; K76-I116 HydrophobicContact CG-CG1 4.49Å
77	E	88.1	Confident	87.9	Confident	138 Å²	138	59.8 Å²	59.8	65%	0.645	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-61.5	-17.1	174.4	82.3	-145.1	130.7	0	0	114	R75	R75-E77 VanDerWaalsContact C-N 3.33Å; R75-E77 HydrophobicContact CB-CG 4.32Å; R75-E77 WeakPolarHBondContact CB-OE1 3.43Å; R75-E77 WeakPolarHBondContact CD-OE1 3.17Å; R75-E77 VanDerWaalsContact CG-OE1 3.29Å; R75-E77 WeakPolarHBondContact CG-OE1 3.46Å; R75-E77 IonicContact CZ-OE1 2.81Å; R75-E77 IonicContact NE-OE1 3.59Å; R75-E77 IonicContact NH1-OE1 3.45Å; R75-E77 PolarHBondContact NH1-OE1 3.4Å; R75-E77 IonicContact NH1-OE2 2.7Å; R75-E77 PolarHBondContact O-N 2.7Å
78	K	84.2	Confident	87.7	Confident	106 Å²	106	56 Å²	56	46%	0.461	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-90	-12.2	176.4	-71.2	-169.2	158.4	-141.1	0	113.1	R75 K76	R75-K78 HydrophobicContact CB-CB 4.44Å; R75-K78 HydrophobicContact CB-CD 4.26Å; R75-K78 HydrophobicContact CB-CG 4.07Å; R75-K78 WeakPolarHBondContact O-CB 3.44Å; R75-K78 PolarHBondContact O-N 2.8Å; K76-K78 PolarHBondContact O-N 2.84Å; K76-K78 VanDerWaalsContact O-N 3.11Å
79	I	84.4	Confident	87.3	Confident	26 Å²	26	57.2 Å²	57.2	13%	0.133	27%	0.267	C	S	.	.			trans	-85	117	179.7	-54.9	176.3	0	0	0	106.8	Y55 I74 K76 D81 D84 L85 I88	Y55-I79 HydrophobicContact CD1-CG1 3.84Å; Y55-I79 HydrophobicContact CE1-CG1 4.4Å; I74-I79 HydrophobicContact CG2-CD1 4.08Å; K76-I79 HydrophobicContact CG-CD1 4.35Å; K76-I79 WeakPolarHBondContact O-CB 3.12Å; K76-I79 PolarHBondContact O-N 3.45Å; I79-D81 VanDerWaalsContact CG2-O 3.29Å; I79-D81 WeakPolarHBondContact CG2-O 3.46Å; I79-D84 HydrophobicContact CG2-CB 3.57Å; I79-L85 HydrophobicContact CD1-CD1 3.85Å; I79-L85 HydrophobicContact CG2-CB 4.24Å; I79-I88 HydrophobicContact CD1-CD1 3.77Å; I79-I88 HydrophobicContact CG1-CD1 4.29Å
80	K	79.4	Confident	86.9	Confident	208 Å²	208	61 Å²	61	90%	0.904	28%	0.282	S	S	*	.			trans	-91.6	-30.1	-174.2	-61.9	177.4	-171.9	164.9	0	113.2
81	D	80.8	Confident	86.7	Confident	48 Å²	48	61.6 Å²	61.6	26%	0.257	28%	0.283	S	S	.	.	S	Bend	trans	-115.9	142.2	-179.8	-173.4	-1.8	0	0	0	110.6	I79 Q83 D84	I79-D81 VanDerWaalsContact CG2-O 3.29Å; I79-D81 WeakPolarHBondContact CG2-O 3.46Å; D81-Q83 PolarHBondContact O-N 3.21Å; D81-Q83 PolarHBondContact OD1-N 3.46Å; D81-Q83 WeakPolarHBondContact OD2-CB 3.29Å; D81-Q83 VanDerWaalsContact OD2-CG 3.27Å; D81-Q83 WeakPolarHBondContact OD2-CG 3.36Å; D81-D84 PolarHBondContact O-N 3.19Å
82	D	81.6	Confident	86.5	Confident	127 Å²	127	61.9 Å²	61.9	68%	0.679	29%	0.285	S	S	*	.	H	α-helix	trans	-60.4	-27	169	-82.6	-41.8	0	0	0	112	L85 V86	D82-L85 PolarHBondContact O-N 2.85Å; D82-V86 WeakPolarHBondContact O-CG2 3.47Å; D82-V86 PolarHBondContact O-N 3.29Å
83	Q	80.9	Confident	86.4	Confident	99 Å²	99	62.1 Å²	62.1	46%	0.463	29%	0.287	S	S	.	.	H	α-helix	trans	-62.4	-41.2	174.8	-59.5	-60.6	-24.4	0	0	112.2	D81 L85 V86 H87	D81-Q83 PolarHBondContact O-N 3.21Å; D81-Q83 PolarHBondContact OD1-N 3.46Å; D81-Q83 WeakPolarHBondContact OD2-CB 3.29Å; D81-Q83 VanDerWaalsContact OD2-CG 3.27Å; D81-Q83 WeakPolarHBondContact OD2-CG 3.36Å; Q83-L85 VanDerWaalsContact C-N 3.29Å; Q83-L85 PolarHBondContact O-N 2.83Å; Q83-V86 CarbonylContact O-C 3.59Å; Q83-V86 WeakPolarHBondContact O-CA 3.38Å; Q83-V86 WeakPolarHBondContact O-CB 3.45Å; Q83-V86 PolarHBondContact O-N 2.8Å; Q83-V86 VanDerWaalsContact O-N 3.08Å; Q83-H87 VanDerWaalsContact O-CG 3.26Å; Q83-H87 PolarHBondContact O-N 2.86Å; Q83-H87 PolarHBondContact O-ND1 2.86Å; Q83-H87 VanDerWaalsContact O-ND1 3.12Å
84	D	82.9	Confident	86.4	Confident	18 Å²	18	62 Å²	62	10%	0.096	29%	0.285	C	S	.	.	H	α-helix	trans	-61.5	-40.4	176.1	-76.2	-5.3	0	0	0	111.1	Y55 I79 D81 V86 H87 I88	Y55-D84 HydrophobicContact CE1-CB 4.26Å; Y55-D84 WeakPolarHBondContact CE1-OD2 3.41Å; Y55-D84 PolarHBondContact OH-OD1 3.08Å; Y55-D84 PolarHBondContact OH-OD2 3.23Å; I79-D84 HydrophobicContact CG2-CB 3.57Å; D81-D84 PolarHBondContact O-N 3.19Å; D84-V86 VanDerWaalsContact C-N 3.3Å; D84-V86 PolarHBondContact O-N 3.12Å; D84-H87 PolarHBondContact O-N 3.18Å; D84-I88 WeakPolarHBondContact O-CB 3.43Å; D84-I88 WeakPolarHBondContact O-CD1 3.46Å; D84-I88 VanDerWaalsContact O-CG1 3.28Å; D84-I88 WeakPolarHBondContact O-CG1 3.29Å; D84-I88 PolarHBondContact O-N 3.44Å
85	L	85.6	Confident	86.4	Confident	26 Å²	26	62.1 Å²	62.1	14%	0.136	29%	0.286	C	S	.	.	H	α-helix	trans	-65.5	-33.6	174.9	-171.9	63.8	0	0	0	112	I79 D82 Q83 R89 I116	I79-L85 HydrophobicContact CD1-CD1 3.85Å; I79-L85 HydrophobicContact CG2-CB 4.24Å; D82-L85 PolarHBondContact O-N 2.85Å; Q83-L85 VanDerWaalsContact C-N 3.29Å; Q83-L85 PolarHBondContact O-N 2.83Å; L85-R89 WeakPolarHBondContact O-CB 3.38Å; L85-R89 WeakPolarHBondContact O-CG 3.49Å; L85-R89 PolarHBondContact O-N 3.27Å; L85-R89 VanDerWaalsContact O-N 3.11Å; L85-I116 HydrophobicContact CD1-CD1 4.04Å
86	V	85.9	Confident	86.4	Confident	63 Å²	63	60.3 Å²	60.3	38%	0.382	28%	0.284	S	S	.	.	H	α-helix	trans	-70.1	-39.2	171.3	169.3	0	0	0	0	111.7	D82 Q83 D84 R90	D82-V86 WeakPolarHBondContact O-CG2 3.47Å; D82-V86 PolarHBondContact O-N 3.29Å; Q83-V86 CarbonylContact O-C 3.59Å; Q83-V86 WeakPolarHBondContact O-CA 3.38Å; Q83-V86 WeakPolarHBondContact O-CB 3.45Å; Q83-V86 PolarHBondContact O-N 2.8Å; Q83-V86 VanDerWaalsContact O-N 3.08Å; D84-V86 VanDerWaalsContact C-N 3.3Å; D84-V86 PolarHBondContact O-N 3.12Å; V86-R90 WeakPolarHBondContact O-CB 3.47Å; V86-R90 PolarHBondContact O-N 3.45Å
87	H	84.3	Confident	86.4	Confident	74 Å²	74	59.5 Å²	59.5	34%	0.343	28%	0.283	S	S	.	.	H	α-helix	trans	-65.2	-47.6	175.5	-65.8	138	0	0	0	111.5	Q83 D84 R89 R90 E91	Q83-H87 VanDerWaalsContact O-CG 3.26Å; Q83-H87 PolarHBondContact O-N 2.86Å; Q83-H87 PolarHBondContact O-ND1 2.86Å; Q83-H87 VanDerWaalsContact O-ND1 3.12Å; D84-H87 PolarHBondContact O-N 3.18Å; H87-R89 VanDerWaalsContact C-N 3.34Å; H87-R89 PolarHBondContact O-N 3.03Å; H87-R90 CarbonylContact O-C 3.51Å; H87-R90 WeakPolarHBondContact O-CA 3.08Å; H87-R90 WeakPolarHBondContact O-CB 3.01Å; H87-R90 PolarHBondContact O-N 2.91Å; H87-E91 PolarHBondContact O-N 3.01Å
88	I	87.9	Confident	86.6	Confident	8 Å²	8	53.4 Å²	53.4	4%	0.041	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-41.8	176.4	-70	161	0	0	0	111.2	Y55 I74 I79 D84 R90 E91 I92 I116	Y55-I88 HydrophobicContact CD1-CD1 4.49Å; Y55-I88 HydrophobicContact CD2-CD1 4.07Å; Y55-I88 HydrophobicContact CE2-CD1 4.31Å; Y55-I88 HydrophobicContact CG-CD1 4.17Å; I74-I88 HydrophobicContact CD1-CG2 3.62Å; I74-I88 HydrophobicContact CG2-CD1 4.07Å; I79-I88 HydrophobicContact CD1-CD1 3.77Å; I79-I88 HydrophobicContact CG1-CD1 4.29Å; D84-I88 WeakPolarHBondContact O-CB 3.43Å; D84-I88 WeakPolarHBondContact O-CD1 3.46Å; D84-I88 VanDerWaalsContact O-CG1 3.28Å; D84-I88 WeakPolarHBondContact O-CG1 3.29Å; D84-I88 PolarHBondContact O-N 3.44Å; I88-R90 VanDerWaalsContact C-N 3.33Å; I88-R90 PolarHBondContact O-N 3.45Å; I88-E91 WeakPolarHBondContact O-CB 3.42Å; I88-E91 PolarHBondContact O-N 2.85Å; I88-I92 HydrophobicContact CG2-CD1 4.06Å; I88-I92 WeakPolarHBondContact O-CD1 3.45Å; I88-I92 VanDerWaalsContact O-CG1 3.27Å; I88-I92 WeakPolarHBondContact O-CG1 3.26Å; I88-I92 PolarHBondContact O-N 3.29Å; I88-I92 VanDerWaalsContact O-N 3.07Å; I88-I116 HydrophobicContact CG2-CD1 4.04Å
89	R	88.8	Confident	87.1	Confident	96 Å²	96	51.1 Å²	51.1	36%	0.362	25%	0.252	S	S	.	.	H	α-helix	trans	-66.9	-33.3	174.2	-74.5	179.3	-179.1	136.4	-2.1	112.6	L85 H87 E93 E111	L85-R89 WeakPolarHBondContact O-CB 3.38Å; L85-R89 WeakPolarHBondContact O-CG 3.49Å; L85-R89 PolarHBondContact O-N 3.27Å; L85-R89 VanDerWaalsContact O-N 3.11Å; H87-R89 VanDerWaalsContact C-N 3.34Å; H87-R89 PolarHBondContact O-N 3.03Å; R89-E93 WeakPolarHBondContact O-CB 3.44Å; R89-E93 WeakPolarHBondContact O-CG 3.47Å; R89-E93 PolarHBondContact O-N 3.34Å; R89-E111 IonicContact CZ-OE1 3.72Å; R89-E111 IonicContact NE-OE1 2.78Å; R89-E111 IonicContact NE-OE2 3.69Å; R89-E111 IonicContact NH2-OE1 2.65Å; R89-E111 PolarHBondContact NH2-OE1 3.39Å
90	R	87.9	Confident	87.6	Confident	80 Å²	80	51.1 Å²	51.1	30%	0.302	25%	0.251	S	S	.	.	H	α-helix	trans	-69.9	-41.2	173.9	-166.8	-178.3	-54	164.7	17.5	112.5	V86 H87 I88 I92 E93 I94 N189	V86-R90 WeakPolarHBondContact O-CB 3.47Å; V86-R90 PolarHBondContact O-N 3.45Å; H87-R90 CarbonylContact O-C 3.51Å; H87-R90 WeakPolarHBondContact O-CA 3.08Å; H87-R90 WeakPolarHBondContact O-CB 3.01Å; H87-R90 PolarHBondContact O-N 2.91Å; I88-R90 VanDerWaalsContact C-N 3.33Å; I88-R90 PolarHBondContact O-N 3.45Å; R90-I92 VanDerWaalsContact C-N 3.32Å; R90-I92 PolarHBondContact O-N 3.01Å; R90-E93 PolarHBondContact O-N 3Å; R90-I94 HydrophobicContact CG-CD1 3.92Å; R90-I94 HydrophobicContact CG-CG1 4.37Å; R90-I94 WeakPolarHBondContact O-CB 3.35Å; R90-I94 WeakPolarHBondContact O-CG1 3.35Å; R90-I94 PolarHBondContact O-N 3.23Å; R90-N189 PolarHBondContact NH1-OD1 2.84Å
91	E	89.9	Confident	88.5	Confident	15 Å²	15	45.2 Å²	45.2	7%	0.07	23%	0.234	C	C	.	.	H	α-helix	trans	-52.9	-53.1	170.8	-176.9	-159.1	146.7	0	0	109.4	K72 H87 I88 E93 I94 M95 F185	K72-E91 IonicContact NZ-OE1 3.49Å; K72-E91 PolarHBondContact NZ-OE1 2.83Å; K72-E91 IonicContact NZ-OE2 3.67Å; K72-E91 PolarHBondContact NZ-OE2 2.92Å; H87-E91 PolarHBondContact O-N 3.01Å; I88-E91 WeakPolarHBondContact O-CB 3.42Å; I88-E91 PolarHBondContact O-N 2.85Å; E91-E93 PolarHBondContact O-N 2.63Å; E91-I94 PolarHBondContact O-N 2.81Å; E91-M95 HydrophobicContact CG-SD 4.09Å; E91-M95 WeakPolarHBondContact O-CB 3.37Å; E91-M95 WeakPolarHBondContact O-CG 3.22Å; E91-M95 PolarHBondContact O-N 3.41Å; E91-F185 HydrophobicContact CG-CB 4.29Å
92	I	90.2	Very high	89.3	Confident	7 Å²	7	44.2 Å²	44.2	4%	0.036	23%	0.228	C	C	.	.	H	α-helix	trans	-60.4	-43.9	178.7	-67.7	164.5	0	0	0	111.6	I88 R90 S96 V109 I116 I118	I88-I92 HydrophobicContact CG2-CD1 4.06Å; I88-I92 WeakPolarHBondContact O-CD1 3.45Å; I88-I92 VanDerWaalsContact O-CG1 3.27Å; I88-I92 WeakPolarHBondContact O-CG1 3.26Å; I88-I92 PolarHBondContact O-N 3.29Å; I88-I92 VanDerWaalsContact O-N 3.07Å; R90-I92 VanDerWaalsContact C-N 3.32Å; R90-I92 PolarHBondContact O-N 3.01Å; I92-S96 WeakPolarHBondContact O-CB 3.25Å; I92-S96 PolarHBondContact O-N 3.34Å; I92-S96 PolarHBondContact O-OG 3.04Å; I92-V109 HydrophobicContact CD1-CG1 4.41Å; I92-V109 HydrophobicContact CG2-CG1 4.33Å; I92-V109 HydrophobicContact CG2-CG2 3.93Å; I92-I116 HydrophobicContact CD1-CG2 3.86Å; I92-I118 HydrophobicContact CD1-CD1 3.88Å; I92-I118 HydrophobicContact CD1-CG1 4.11Å; I92-I118 HydrophobicContact CG1-CD1 3.62Å; I92-I118 HydrophobicContact CG1-CG1 4.09Å
93	E	90.6	Very high	90	Very high	46 Å²	46	38.3 Å²	38.3	22%	0.215	20%	0.197	C	C	.	.	H	α-helix	trans	-65.1	-44.6	178.4	-83.1	-178.6	-172.1	0	0	112.9	R33 R89 R90 E91 S97 L333 S337	R33-E93 IonicContact NH1-OE1 3.61Å; R33-E93 IonicContact NH2-OE1 3.77Å; R89-E93 WeakPolarHBondContact O-CB 3.44Å; R89-E93 WeakPolarHBondContact O-CG 3.47Å; R89-E93 PolarHBondContact O-N 3.34Å; R90-E93 PolarHBondContact O-N 3Å; E91-E93 PolarHBondContact O-N 2.63Å; E93-S97 WeakPolarHBondContact O-CB 3.45Å; E93-S97 PolarHBondContact O-N 3.06Å; E93-S97 PolarHBondContact O-OG 3.27Å; E93-L333 HydrophobicContact CB-CD2 3.96Å; E93-S337 PolarHBondContact OE2-OG 2.99Å
94	I	90.5	Very high	90.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-57.1	175.5	-73.9	174.6	0	0	0	109.8	R90 E91 S96 S97 L98 I162 F185 L190 L333	R90-I94 HydrophobicContact CG-CD1 3.92Å; R90-I94 HydrophobicContact CG-CG1 4.37Å; R90-I94 WeakPolarHBondContact O-CB 3.35Å; R90-I94 WeakPolarHBondContact O-CG1 3.35Å; R90-I94 PolarHBondContact O-N 3.23Å; E91-I94 PolarHBondContact O-N 2.81Å; I94-S96 VanDerWaalsContact C-N 3.31Å; I94-S96 PolarHBondContact O-N 3.05Å; I94-S97 PolarHBondContact O-N 3.01Å; I94-S97 PolarHBondContact O-OG 3.42Å; I94-L98 HydrophobicContact CG2-CD1 3.88Å; I94-L98 WeakPolarHBondContact O-CG 3.4Å; I94-L98 PolarHBondContact O-N 3.02Å; I94-I162 HydrophobicContact CG2-CD1 4.06Å; I94-I162 HydrophobicContact CG2-CG1 4.32Å; I94-I162 HydrophobicContact CG2-CG2 3.82Å; I94-F185 HydrophobicContact CG2-CD1 3.76Å; I94-F185 HydrophobicContact CG2-CE1 4.46Å; I94-F185 HydrophobicContact CG2-CG 4.43Å; I94-L190 HydrophobicContact CD1-CD2 4.37Å; I94-L190 HydrophobicContact CG1-CD2 4.29Å; I94-L333 HydrophobicContact CG1-CD1 4.35Å
95	M	91	Very high	91.3	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.039	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-33.1	-177.7	-69.5	-174.2	74.3	0	0	113.2	E91 S97 I104 I106 F185	E91-M95 HydrophobicContact CG-SD 4.09Å; E91-M95 WeakPolarHBondContact O-CB 3.37Å; E91-M95 WeakPolarHBondContact O-CG 3.22Å; E91-M95 PolarHBondContact O-N 3.41Å; M95-S97 PolarHBondContact O-N 2.95Å; M95-I104 HydrophobicContact CE-CB 4.24Å; M95-I104 HydrophobicContact CE-CG2 4.08Å; M95-I106 HydrophobicContact CB-CD1 3.4Å; M95-I106 HydrophobicContact CB-CG1 3.97Å; M95-I106 HydrophobicContact CE-CD1 4.47Å; M95-I106 HydrophobicContact CE-CG1 4.27Å; M95-I106 HydrophobicContact CG-CD1 4.4Å; M95-I106 HydrophobicContact SD-CD1 4.28Å; M95-F185 HydrophobicContact CE-CD2 4.11Å; M95-F185 HydrophobicContact CG-CB 3.69Å; M95-F185 HydrophobicContact CG-CD2 3.67Å; M95-F185 HydrophobicContact CG-CE2 4.49Å; M95-F185 HydrophobicContact CG-CG 3.71Å; M95-F185 HydrophobicContact SD-CB 4Å; M95-F185 HydrophobicContact SD-CD2 3.87Å; M95-F185 HydrophobicContact SD-CG 4.25Å
96	S	90.6	Very high	91.6	Very high	32 Å²	32	34.4 Å²	34.4	22%	0.224	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.3	174.9	-59.6	0	0	0	0	114	I92 I94	I92-S96 WeakPolarHBondContact O-CB 3.25Å; I92-S96 PolarHBondContact O-N 3.34Å; I92-S96 PolarHBondContact O-OG 3.04Å; I94-S96 VanDerWaalsContact C-N 3.31Å; I94-S96 PolarHBondContact O-N 3.05Å
97	S	89.8	Confident	91.9	Very high	22 Å²	22	33.5 Å²	33.5	15%	0.154	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-12.5	-177.8	72.1	0	0	0	0	113.9	E93 I94 M95 V329	E93-S97 WeakPolarHBondContact O-CB 3.45Å; E93-S97 PolarHBondContact O-N 3.06Å; E93-S97 PolarHBondContact O-OG 3.27Å; I94-S97 PolarHBondContact O-N 3.01Å; I94-S97 PolarHBondContact O-OG 3.42Å; M95-S97 PolarHBondContact O-N 2.95Å; S97-V329 WeakPolarHBondContact OG-CG1 3.45Å
98	L	91.9	Very high	92.3	Very high	11 Å²	11	30.5 Å²	30.5	6%	0.058	16%	0.157	C	C	.	.			trans	-89.3	138.6	176.7	-66.8	167.2	0	0	0	110.4	I94 I103 Y156 N160 I162 F185	I94-L98 HydrophobicContact CG2-CD1 3.88Å; I94-L98 WeakPolarHBondContact O-CG 3.4Å; I94-L98 PolarHBondContact O-N 3.02Å; L98-I103 HydrophobicContact CB-CD1 4.49Å; L98-I103 HydrophobicContact CD1-CD1 4.38Å; L98-Y156 HydrophobicContact CB-CE1 4.21Å; L98-Y156 HydrophobicContact CD2-CD1 3.92Å; L98-Y156 HydrophobicContact CD2-CE1 3.52Å; L98-Y156 HydrophobicContact CG-CE1 4.49Å; L98-N160 HydrophobicContact CD2-CB 4.48Å; L98-I162 HydrophobicContact CD1-CD1 4.47Å; L98-I162 HydrophobicContact CD2-CD1 3.76Å; L98-I162 HydrophobicContact CG-CD1 4.15Å; L98-F185 HydrophobicContact CD1-CD1 3.96Å; L98-F185 HydrophobicContact CD1-CE1 3.37Å; L98-F185 HydrophobicContact CD1-CZ 3.75Å
99	C	93.7	Very high	92.4	Very high	58 Å²	58	30.5 Å²	30.5	39%	0.392	16%	0.157	S	C	.	.			trans	-145.6	99.9	174.6	-173.8	0	0	0	0	109.1	Y156	C99-Y156 PolarHBondContact N-OH 2.97Å; C99-Y156 VanDerWaalsContact O-CZ 3.26Å; C99-Y156 PolarHBondContact O-OH 3.39Å
100	H	96.1	Very high	92.5	Very high	25 Å²	25	26 Å²	26	12%	0.116	14%	0.14	C	C	.	.			trans	-152.8	140.1	-172.4	-175.5	-93.5	0	0	0	109.4	H102 I103 S152 A153 Y156	H100-H102 AromaticContact CE1-CD2 3.9Å; H100-H102 PolarHBondContact ND1-N 3.42Å; H100-H102 VanDerWaalsContact ND1-N 3.19Å; H100-H102 PolarHBondContact O-N 3.02Å; H100-H102 VanDerWaalsContact O-N 3.12Å; H100-I103 HydrophobicContact CB-CB 4.32Å; H100-I103 HydrophobicContact CB-CD1 3.84Å; H100-I103 HydrophobicContact CB-CG1 4Å; H100-I103 PolarHBondContact O-N 2.69Å; H100-S152 PolarHBondContact CE1-OG 2.91Å; H100-S152 PolarHBondContact NE2-O 3.06Å; H100-S152 PolarHBondContact NE2-OG 3.04Å; H100-S152 VanDerWaalsContact NE2-OG 3.13Å; H100-A153 WeakPolarHBondContact CE1-CA 3.48Å; H100-A153 PolarHBondContact CE1-N 2.96Å; H100-A153 VanDerWaalsContact CE1-N 3.32Å; H100-Y156 HydrophobicContact CB-CD1 3.78Å; H100-Y156 HydrophobicContact CB-CE1 3.93Å; H100-Y156 HydrophobicContact CB-CG 4.08Å; H100-Y156 AromaticContact CD2-CD2 3.87Å; H100-Y156 AromaticContact CD2-CG 3.63Å
101	P	97.1	Very high	92.6	Very high	84 Å²	84	24.3 Å²	24.3	55%	0.545	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-31.1	-174.9	21.3	-33.9	0	0	0	113.8	K181	P101-K181 WeakPolarHBondContact O-CD 3.37Å; P101-K181 VanDerWaalsContact O-CE 3.32Å; P101-K181 WeakPolarHBondContact O-CE 3.38Å; P101-K181 PolarHBondContact O-NZ 3.46Å
102	H	98	Very high	92.4	Very high	27 Å²	27	25.2 Å²	25.2	13%	0.125	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	23.5	-177.6	-56.4	-56.7	0	0	0	115	H100 Q149 A153 V180 I182	H100-H102 AromaticContact CE1-CD2 3.9Å; H100-H102 PolarHBondContact ND1-N 3.42Å; H100-H102 VanDerWaalsContact ND1-N 3.19Å; H100-H102 PolarHBondContact O-N 3.02Å; H100-H102 VanDerWaalsContact O-N 3.12Å; H102-Q149 PolarHBondContact CE1-NE2 3.08Å; H102-Q149 WeakPolarHBondContact NE2-CG 3.39Å; H102-A153 HydrophobicContact CB-CB 4.07Å; H102-V180 VanDerWaalsContact CA-O 3.26Å; H102-V180 WeakPolarHBondContact CA-O 3.17Å; H102-V180 HydrophobicContact CB-CG1 4.21Å; H102-V180 WeakPolarHBondContact CB-O 3.42Å; H102-V180 PolarHBondContact ND1-O 2.9Å; H102-I182 PolarHBondContact O-N 3.29Å
103	I	97.4	Very high	92.2	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-125.3	139.5	173.3	-61.2	179.2	0	0	0	108.5	L98 H100 T105 A153 Y156 F185	L98-I103 HydrophobicContact CB-CD1 4.49Å; L98-I103 HydrophobicContact CD1-CD1 4.38Å; H100-I103 HydrophobicContact CB-CB 4.32Å; H100-I103 HydrophobicContact CB-CD1 3.84Å; H100-I103 HydrophobicContact CB-CG1 4Å; H100-I103 PolarHBondContact O-N 2.69Å; I103-T105 PolarHBondContact O-N 3.29Å; I103-A153 HydrophobicContact CD1-CB 4.18Å; I103-A153 HydrophobicContact CG1-CB 3.75Å; I103-Y156 HydrophobicContact CD1-CD1 3.97Å; I103-Y156 HydrophobicContact CD1-CE1 4.48Å; I103-F185 HydrophobicContact CD1-CZ 4.34Å; I103-F185 HydrophobicContact CG2-CE2 3.78Å; I103-F185 HydrophobicContact CG2-CZ 3.78Å
104	I	95.6	Very high	92.1	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.031	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-60.6	117.4	174.8	-71.7	-67.3	0	0	0	110.1	M95 M120 E121 A123 L173 K181 I182 A183	M95-I104 HydrophobicContact CE-CB 4.24Å; M95-I104 HydrophobicContact CE-CG2 4.08Å; I104-M120 HydrophobicContact CG2-CB 3.96Å; I104-M120 HydrophobicContact CG2-CG 4.11Å; I104-M120 HydrophobicContact CG2-SD 4.3Å; I104-E121 HydrophobicContact CD1-CB 4.22Å; I104-E121 HydrophobicContact CD1-CG 4.47Å; I104-E121 HydrophobicContact CG2-CB 4.34Å; I104-A123 HydrophobicContact CD1-CB 4.23Å; I104-L173 HydrophobicContact CD1-CD1 4.29Å; I104-L173 HydrophobicContact CG1-CD1 4.45Å; I104-K181 HydrophobicContact CD1-CB 3.67Å; I104-K181 HydrophobicContact CD1-CG 4.19Å; I104-K181 HydrophobicContact CG1-CB 4.03Å; I104-I182 PolarHBondContact N-O 2.95Å; I104-A183 HydrophobicContact CG1-CB 3.92Å
105	T	94.1	Very high	92	Very high	46 Å²	46	36.9 Å²	36.9	28%	0.282	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-79.9	127.2	178.7	-61.1	0	0	0	0	111.1	I103 Y107 M120 E121	I103-T105 PolarHBondContact O-N 3.29Å; T105-Y107 HydrophobicContact CG2-CD1 3.96Å; T105-Y107 HydrophobicContact CG2-CE1 3.79Å; T105-M120 CarbonylContact O-C 3.15Å; T105-M120 VanDerWaalsContact O-CA 3.27Å; T105-M120 WeakPolarHBondContact O-CA 3.41Å; T105-M120 WeakPolarHBondContact O-CB 3.19Å; T105-E121 PolarHBondContact N-OE2 3.47Å; T105-E121 PolarHBondContact O-N 3.11Å
106	I	93.2	Very high	92	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	133.6	163.7	-64.1	-178.4	0	0	0	108.8	V31 M95 V109 I118 M120	V31-I106 HydrophobicContact CG1-CG2 3.67Å; V31-I106 HydrophobicContact CG2-CB 4.27Å; V31-I106 HydrophobicContact CG2-CG2 4.14Å; V31-I106 WeakPolarHBondContact CG2-O 3.44Å; M95-I106 HydrophobicContact CB-CD1 3.4Å; M95-I106 HydrophobicContact CB-CG1 3.97Å; M95-I106 HydrophobicContact CE-CD1 4.47Å; M95-I106 HydrophobicContact CE-CG1 4.27Å; M95-I106 HydrophobicContact CG-CD1 4.4Å; M95-I106 HydrophobicContact SD-CD1 4.28Å; I106-V109 HydrophobicContact CG2-CG2 3.82Å; I106-I118 HydrophobicContact CD1-CG2 3.76Å; I106-I118 HydrophobicContact CG1-CG2 3.94Å; I106-I118 HydrophobicContact CG2-CG2 3.99Å; I106-M120 HydrophobicContact CG1-CB 4.38Å
107	Y	92.1	Very high	92.1	Very high	45 Å²	45	35 Å²	35	18%	0.176	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-49.6	175.4	-58	-50.1	0	0	0	112.1	R67 V69 T105 V119 E121	R67-Y107 VanDerWaalsContact NH1-CE2 3.33Å; V69-Y107 HydrophobicContact CG1-CD2 4.09Å; V69-Y107 HydrophobicContact CG1-CE2 4.01Å; T105-Y107 HydrophobicContact CG2-CD1 3.96Å; T105-Y107 HydrophobicContact CG2-CE1 3.79Å; Y107-V119 PolarHBondContact N-O 3.07Å; Y107-E121 HydrophobicContact CE2-CB 4.34Å
108	E	91.4	Very high	92.3	Very high	10 Å²	10	34 Å²	34	5%	0.047	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	149.9	-174.6	-59.1	-171.2	82.8	0	0	111	K32 H34 R43 Y44 F110 V119	K32-E108 HydrophobicContact CB-CG 4.03Å; K32-E108 HydrophobicContact CD-CG 4.19Å; K32-E108 WeakPolarHBondContact CD-OE1 3.45Å; K32-E108 HydrophobicContact CG-CG 4.38Å; K32-E108 WeakPolarHBondContact O-CA 3.23Å; H34-E108 IonicContact CD2-OE1 2.65Å; H34-E108 IonicContact CE1-OE1 3.71Å; H34-E108 IonicContact NE2-OE1 3.53Å; H34-E108 PolarHBondContact NE2-OE1 2.89Å; R43-E108 IonicContact CZ-OE1 2.93Å; R43-E108 IonicContact CZ-OE2 3.67Å; R43-E108 IonicContact NH1-OE1 3.33Å; R43-E108 PolarHBondContact NH1-OE1 3.46Å; R43-E108 IonicContact NH1-OE2 3.46Å; R43-E108 PolarHBondContact NH1-OE2 2.9Å; R43-E108 VanDerWaalsContact NH1-OE2 3.09Å; R43-E108 IonicContact NH2-OE1 2.82Å; R43-E108 IonicContact NH2-OE2 3.46Å; R43-E108 PolarHBondContact NH2-OE2 3.21Å; Y44-E108 PolarHBondContact OH-OE2 2.87Å; Y44-E108 VanDerWaalsContact OH-OE2 3.13Å; E108-F110 HydrophobicContact CB-CE2 3.74Å; E108-F110 HydrophobicContact CB-CZ 4.09Å; E108-V119 PolarHBondContact N-O 3.24Å; E108-V119 PolarHBondContact O-N 2.84Å
109	V	91.6	Very high	92.4	Very high	8 Å²	8	33.4 Å²	33.4	5%	0.048	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.2	176.2	180	0	0	0	0	109.2	V31 K32 R33 H34 I92 I106 I116 V117 I118	V31-V109 HydrophobicContact CG1-CG2 3.89Å; K32-V109 PolarHBondContact O-N 3.21Å; R33-V109 WeakPolarHBondContact CA-O 3.44Å; H34-V109 PolarHBondContact N-O 3.33Å; I92-V109 HydrophobicContact CD1-CG1 4.41Å; I92-V109 HydrophobicContact CG2-CG1 4.33Å; I92-V109 HydrophobicContact CG2-CG2 3.93Å; I106-V109 HydrophobicContact CG2-CG2 3.82Å; V109-I116 HydrophobicContact CG1-CG2 4.18Å; V109-V117 WeakPolarHBondContact CA-O 3.46Å; V109-I118 HydrophobicContact CG2-CG2 4.41Å
110	F	90.2	Very high	92.4	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.009	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.9	177.2	-54.6	-100.1	0	0	0	108.2	H34 H38 L40 E108 I116 V117 V119	H34-F110 HydrophobicContact CB-CD1 3.45Å; H34-F110 VanDerWaalsContact CB-CD1 3.45Å; H34-F110 HydrophobicContact CB-CE1 3.8Å; H34-F110 HydrophobicContact CB-CG 4.18Å; H34-F110 AromaticContact CD2-CD1 3.7Å; H34-F110 AromaticContact CD2-CE1 3.24Å; H34-F110 WeakPolarHBondContact CD2-CE1 3.41Å; H34-F110 AromaticContact CD2-CZ 3.47Å; H34-F110 VanDerWaalsContact CD2-CZ 3.47Å; H34-F110 WeakPolarHBondContact CD2-CZ 3.44Å; H34-F110 AromaticContact CG-CD1 3.73Å; H34-F110 AromaticContact CG-CE1 3.5Å; H34-F110 AromaticContact NE2-CE1 3.78Å; H34-F110 AromaticContact NE2-CZ 3.8Å; H34-F110 WeakPolarHBondContact O-CA 3.41Å; H38-F110 HydrophobicContact CB-CE1 4.16Å; L40-F110 HydrophobicContact CD1-CB 4.31Å; L40-F110 HydrophobicContact CD1-CD1 3.96Å; L40-F110 HydrophobicContact CD1-CD2 4.33Å; L40-F110 HydrophobicContact CD1-CE1 4.45Å; L40-F110 HydrophobicContact CD1-CG 3.94Å; L40-F110 HydrophobicContact CD2-CD2 4.02Å; L40-F110 HydrophobicContact CD2-CE2 4.13Å; L40-F110 HydrophobicContact CD2-CG 4.45Å; L40-F110 HydrophobicContact CG-CD1 4.45Å; L40-F110 HydrophobicContact CG-CD2 4.42Å; L40-F110 HydrophobicContact CG-CE1 4.5Å; L40-F110 HydrophobicContact CG-CE2 4.47Å; L40-F110 HydrophobicContact CG-CG 4.45Å; E108-F110 HydrophobicContact CB-CE2 3.74Å; E108-F110 HydrophobicContact CB-CZ 4.09Å; F110-I116 CarbonylContact O-C 3.52Å; F110-I116 WeakPolarHBondContact O-CA 3.09Å; F110-V117 HydrophobicContact CB-CB 4.31Å; F110-V117 PolarHBondContact N-O 3.02Å; F110-V117 PolarHBondContact O-N 3.43Å; F110-V119 HydrophobicContact CD2-CG2 4.36Å; F110-V119 HydrophobicContact CE2-CG2 3.91Å
111	E	89.1	Confident	92.4	Very high	45 Å²	45	32.5 Å²	32.5	21%	0.21	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.9	174.7	178.3	166.3	-179.8	0	0	109.1	H34 H35 K76 R89 I116	H34-E111 PolarHBondContact O-N 2.94Å; H35-E111 CarbonylContact C-O 3.46Å; H35-E111 WeakPolarHBondContact CA-O 3.2Å; H35-E111 VanDerWaalsContact O-O 3.08Å; K76-E111 WeakPolarHBondContact CE-OE1 3.17Å; K76-E111 IonicContact NZ-OE1 2.83Å; K76-E111 PolarHBondContact NZ-OE1 2.78Å; R89-E111 IonicContact CZ-OE1 3.72Å; R89-E111 IonicContact NE-OE1 2.78Å; R89-E111 IonicContact NE-OE2 3.69Å; R89-E111 IonicContact NH2-OE1 2.65Å; R89-E111 PolarHBondContact NH2-OE1 3.39Å; E111-I116 HydrophobicContact CG-CG1 4.08Å
112	N	86.6	Confident	92.4	Very high	33 Å²	33	30.2 Å²	30.2	18%	0.176	14%	0.144	C	C	.	.			trans	-122.7	-165	170.4	72.6	16.7	0	0	0	109.8	K76 D114 K115	K76-N112 PolarHBondContact NZ-O 3.13Å; N112-D114 VanDerWaalsContact C-N 3.29Å; N112-D114 PolarHBondContact O-N 3.21Å; N112-D114 PolarHBondContact OD1-N 2.79Å; N112-K115 PolarHBondContact N-O 2.82Å; N112-K115 VanDerWaalsContact N-O 3.1Å; N112-K115 PolarHBondContact OD1-N 3.01Å; N112-K115 PolarHBondContact OD1-O 2.9Å
113	K	86.6	Confident	92.3	Very high	189 Å²	189	29.1 Å²	29.1	82%	0.822	14%	0.14	S	C	*	.	S	Bend	trans	-67.2	-30.3	-179.5	-70.1	-172.5	177.6	-176.5	0	113	K76	K76-K113 WeakPolarHBondContact CD-O 3.42Å
114	D	87.4	Confident	92.1	Very high	103 Å²	103	31 Å²	31	55%	0.551	15%	0.154	S	C	*	.	S	Bend	trans	-113.4	-25.9	-159.2	-31.1	-71	0	0	0	112.6	K76 N112	K76-D114 WeakPolarHBondContact CB-O 3.41Å; K76-D114 PolarHBondContact N-O 2.92Å; N112-D114 VanDerWaalsContact C-N 3.29Å; N112-D114 PolarHBondContact O-N 3.21Å; N112-D114 PolarHBondContact OD1-N 2.79Å
115	K	89.6	Confident	92	Very high	8 Å²	8	36 Å²	36	4%	0.035	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	160.6	179.1	64.8	-168.3	87.1	179.9	0	113.9	I74 N112 V117 F521 D522 D525	I74-K115 CarbonylContact O-C 3.58Å; I74-K115 WeakPolarHBondContact O-CA 3.43Å; I74-K115 WeakPolarHBondContact O-CB 3.48Å; N112-K115 PolarHBondContact N-O 2.82Å; N112-K115 VanDerWaalsContact N-O 3.1Å; N112-K115 PolarHBondContact OD1-N 3.01Å; N112-K115 PolarHBondContact OD1-O 2.9Å; K115-V117 HydrophobicContact CG-CG2 4.3Å; K115-F521 HydrophobicContact CD-CB 4.03Å; K115-F521 HydrophobicContact CD-CD1 3.99Å; K115-F521 HydrophobicContact CD-CG 4.43Å; K115-F521 HydrophobicContact CG-CD1 4.12Å; K115-F521 PolarHBondContact NZ-O 2.96Å; K115-D522 IonicContact NZ-OD1 3.61Å; K115-D522 PolarHBondContact NZ-OD1 2.99Å; K115-D525 IonicContact NZ-OD2 2.75Å; K115-D525 PolarHBondContact NZ-OD2 3.42Å
116	I	91.1	Very high	92	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.6	168.1	-52.5	175.2	0	0	0	107.1	I74 K76 L85 I88 I92 V109 F110 E111 I118	I74-I116 HydrophobicContact CB-CB 4.26Å; I74-I116 PolarHBondContact N-O 2.81Å; I74-I116 PolarHBondContact O-N 3.34Å; K76-I116 HydrophobicContact CG-CG1 4.49Å; L85-I116 HydrophobicContact CD1-CD1 4.04Å; I88-I116 HydrophobicContact CG2-CD1 4.04Å; I92-I116 HydrophobicContact CD1-CG2 3.86Å; V109-I116 HydrophobicContact CG1-CG2 4.18Å; F110-I116 CarbonylContact O-C 3.52Å; F110-I116 WeakPolarHBondContact O-CA 3.09Å; E111-I116 HydrophobicContact CG-CG1 4.08Å; I116-I118 HydrophobicContact CG2-CG1 4.42Å
117	V	91.9	Very high	92	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	119.7	178.1	-171.2	0	0	0	0	109.1	L40 V71 K72 V109 F110 K115 F521 L524	L40-V117 HydrophobicContact CD2-CG1 3.93Å; V71-V117 HydrophobicContact CG1-CG1 3.32Å; K72-V117 WeakPolarHBondContact O-CA 3.48Å; V109-V117 WeakPolarHBondContact CA-O 3.46Å; F110-V117 HydrophobicContact CB-CB 4.31Å; F110-V117 PolarHBondContact N-O 3.02Å; F110-V117 PolarHBondContact O-N 3.43Å; K115-V117 HydrophobicContact CG-CG2 4.3Å; V117-F521 HydrophobicContact CG2-CD1 4.18Å; V117-F521 HydrophobicContact CG2-CE1 4.09Å; V117-L524 HydrophobicContact CG2-CD1 4.07Å
118	I	93.1	Very high	92.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	123.2	179.5	-54.1	165	0	0	0	107.7	V71 K72 I74 I92 I106 V109 I116	V71-I118 CarbonylContact C-O 3.57Å; V71-I118 WeakPolarHBondContact CA-O 3.28Å; K72-I118 HydrophobicContact CB-CB 4.34Å; K72-I118 HydrophobicContact CD-CD1 4.24Å; K72-I118 HydrophobicContact CG-CD1 4.47Å; K72-I118 PolarHBondContact N-O 3.03Å; K72-I118 PolarHBondContact O-N 3.37Å; I74-I118 HydrophobicContact CD1-CD1 4.09Å; I92-I118 HydrophobicContact CD1-CD1 3.88Å; I92-I118 HydrophobicContact CD1-CG1 4.11Å; I92-I118 HydrophobicContact CG1-CD1 3.62Å; I92-I118 HydrophobicContact CG1-CG1 4.09Å; I106-I118 HydrophobicContact CD1-CG2 3.76Å; I106-I118 HydrophobicContact CG1-CG2 3.94Å; I106-I118 HydrophobicContact CG2-CG2 3.99Å; V109-I118 HydrophobicContact CG2-CG2 4.41Å; I116-I118 HydrophobicContact CG2-CG1 4.42Å
119	V	93.8	Very high	92.2	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.8	173.1	-174.6	0	0	0	0	108.9	Y44 V69 V71 Y107 E108 F110	Y44-V119 HydrophobicContact CE1-CG1 4.19Å; Y44-V119 HydrophobicContact CE2-CG1 4.33Å; Y44-V119 HydrophobicContact CE2-CG2 3.85Å; V69-V119 HydrophobicContact CB-CG1 3.89Å; V69-V119 HydrophobicContact CG1-CG1 4.22Å; V69-V119 HydrophobicContact CG2-CG1 3.82Å; V71-V119 HydrophobicContact CG1-CG2 4.34Å; V71-V119 HydrophobicContact CG2-CG1 4.44Å; V71-V119 HydrophobicContact CG2-CG2 4.32Å; Y107-V119 PolarHBondContact N-O 3.07Å; E108-V119 PolarHBondContact N-O 3.24Å; E108-V119 PolarHBondContact O-N 2.84Å; F110-V119 HydrophobicContact CD2-CG2 4.36Å; F110-V119 HydrophobicContact CE2-CG2 3.91Å
120	M	95.3	Very high	92.1	Very high	26 Å²	26	35.6 Å²	35.6	13%	0.128	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	171.1	-170.1	65.2	-160.5	176.9	0	0	112.2	V58 A70 K72 I104 T105 I106	V58-M120 HydrophobicContact CG1-CE 4.09Å; A70-M120 HydrophobicContact CB-CE 3.81Å; A70-M120 HydrophobicContact CB-CG 3.89Å; A70-M120 PolarHBondContact N-O 3.32Å; A70-M120 PolarHBondContact O-N 2.81Å; K72-M120 HydrophobicContact CB-CE 3.92Å; K72-M120 HydrophobicContact CB-SD 4.48Å; I104-M120 HydrophobicContact CG2-CB 3.96Å; I104-M120 HydrophobicContact CG2-CG 4.11Å; I104-M120 HydrophobicContact CG2-SD 4.3Å; T105-M120 CarbonylContact O-C 3.15Å; T105-M120 VanDerWaalsContact O-CA 3.27Å; T105-M120 WeakPolarHBondContact O-CA 3.41Å; T105-M120 WeakPolarHBondContact O-CB 3.19Å; I106-M120 HydrophobicContact CG1-CB 4.38Å
121	E	95.4	Very high	92.2	Very high	38 Å²	38	39.2 Å²	39.2	18%	0.178	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	141	175.5	-172.2	168.5	-151.9	0	0	112.4	I104 T105 Y107 K181	I104-E121 HydrophobicContact CD1-CB 4.22Å; I104-E121 HydrophobicContact CD1-CG 4.47Å; I104-E121 HydrophobicContact CG2-CB 4.34Å; T105-E121 PolarHBondContact N-OE2 3.47Å; T105-E121 PolarHBondContact O-N 3.11Å; Y107-E121 HydrophobicContact CE2-CB 4.34Å; E121-K181 VanDerWaalsContact OE1-CE 3.26Å; E121-K181 WeakPolarHBondContact OE1-CE 3.41Å; E121-K181 IonicContact OE1-NZ 3.09Å; E121-K181 PolarHBondContact OE1-NZ 2.65Å; E121-K181 WeakPolarHBondContact OE2-CE 3.22Å; E121-K181 IonicContact OE2-NZ 2.68Å; E121-K181 PolarHBondContact OE2-NZ 2.9Å
122	Y	96.3	Very high	92.2	Very high	35 Å²	35	37.3 Å²	37.3	14%	0.137	18%	0.183	C	C	.	.			trans	-103.3	109.9	175.8	174.4	-121.2	0	0	0	110.2	L50 K60 L68	L50-Y122 HydrophobicContact CD1-CD2 3.75Å; L50-Y122 HydrophobicContact CD1-CE2 3.6Å; L50-Y122 HydrophobicContact CD2-CE2 3.78Å; L50-Y122 HydrophobicContact CG-CE2 4.36Å; K60-Y122 HydrophobicContact CD-CE1 4.13Å; K60-Y122 HydrophobicContact CD-CE2 4.31Å; K60-Y122 VanDerWaalsContact CE-CE1 3.44Å; K60-Y122 WeakPolarHBondContact CE-OH 3.15Å; K60-Y122 HydrophobicContact CG-CE1 4.38Å; K60-Y122 HydrophobicContact CG-CE2 4.28Å; K60-Y122 PolarHBondContact NZ-OH 3.41Å; L68-Y122 HydrophobicContact CB-CD1 3.77Å; L68-Y122 HydrophobicContact CB-CE1 4.48Å; L68-Y122 HydrophobicContact CB-CG 4.49Å; L68-Y122 HydrophobicContact CD1-CD1 4.11Å; L68-Y122 HydrophobicContact CD1-CE1 4.05Å
123	A	95.9	Very high	92.3	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.033	19%	0.186	C	C	.	.			trans	-82.6	116.2	167.4	0	0	0	0	0	108.8	I104 L173 L174 K181	I104-A123 HydrophobicContact CD1-CB 4.23Å; A123-L173 HydrophobicContact CB-CB 3.41Å; A123-L173 VanDerWaalsContact CB-CB 3.41Å; A123-L173 HydrophobicContact CB-CD1 4.03Å; A123-L173 HydrophobicContact CB-CG 4.37Å; A123-L174 CarbonylContact C-O 3.52Å; A123-L174 WeakPolarHBondContact CB-O 3.35Å; A123-K181 HydrophobicContact CB-CB 4.46Å; A123-K181 HydrophobicContact CB-CG 4.46Å
124	S	94.3	Very high	92.3	Very high	45 Å²	45	35.2 Å²	35.2	32%	0.315	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-11.4	-165.2	62.6	0	0	0	0	115.4	L174 G176	S124-L174 PolarHBondContact N-O 3.46Å; S124-G176 VanDerWaalsContact OG-CA 3.23Å; S124-G176 WeakPolarHBondContact OG-CA 3.32Å; S124-G176 PolarHBondContact OG-N 3.13Å
125	Q	94.3	Very high	92.2	Very high	109 Å²	109	33.6 Å²	33.6	51%	0.509	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	15.2	-178.4	-57.7	-71	8.9	0	0	112.8	L174 D175	Q125-L174 HydrophobicContact CB-CB 3.75Å; Q125-L174 PolarHBondContact N-O 3.4Å; Q125-D175 WeakPolarHBondContact CG-O 3.45Å
126	G	92.5	Very high	91.5	Very high	15 Å²	15	39.6 Å²	39.6	16%	0.155	20%	0.197	C	C	.	.			trans	78.3	-155.7	180	0	0	0	0	0	113.5	L173 L174	G126-L173 CarbonylContact O-C 3.33Å; G126-L173 WeakPolarHBondContact O-CA 3.27Å; G126-L174 PolarHBondContact O-N 3.49Å
127	D	93.6	Very high	90.8	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.016	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-94	158.7	173.9	62	66.8	0	0	0	112.7	Y129 D130 Y131 I172 L173	D127-Y129 PolarHBondContact O-N 2.88Å; D127-Y129 WeakPolarHBondContact OD1-CB 3.42Å; D127-Y129 PolarHBondContact OD1-N 3.19Å; D127-D130 PolarHBondContact OD1-N 2.96Å; D127-Y131 PolarHBondContact O-N 2.88Å; D127-I172 CarbonylContact C-O 3.51Å; D127-I172 WeakPolarHBondContact CA-O 3.43Å; D127-L173 HydrophobicContact CB-CD2 3.78Å
128	L	94.4	Very high	90.7	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-71.5	-21	-177	-178.9	59.4	0	0	0	111.7	Y131 I132 F146 I150 L169 I172 L174 L234	L128-Y131 HydrophobicContact CD1-CD1 4.09Å; L128-I132 HydrophobicContact CD1-CD1 4.11Å; L128-I132 HydrophobicContact CD1-CG1 4.23Å; L128-I132 HydrophobicContact CG-CD1 3.91Å; L128-I132 HydrophobicContact CG-CG1 4.49Å; L128-I132 WeakPolarHBondContact O-CB 3.45Å; L128-I132 WeakPolarHBondContact O-CD1 3.38Å; L128-I132 WeakPolarHBondContact O-CG1 3.37Å; L128-I132 PolarHBondContact O-N 3.3Å; L128-I132 VanDerWaalsContact O-N 3.14Å; L128-F146 HydrophobicContact CD1-CD1 4.36Å; L128-F146 HydrophobicContact CD1-CD2 4.19Å; L128-F146 HydrophobicContact CD1-CE1 4.43Å; L128-F146 HydrophobicContact CD1-CE2 4.27Å; L128-F146 HydrophobicContact CD1-CG 4.24Å; L128-F146 HydrophobicContact CD1-CZ 4.38Å; L128-I150 HydrophobicContact CD2-CD1 4.19Å; L128-L169 HydrophobicContact CD2-CD2 3.92Å; L128-L169 HydrophobicContact CG-CD2 4.06Å; L128-I172 HydrophobicContact CB-CB 4.24Å; L128-I172 HydrophobicContact CB-CG2 3.99Å; L128-I172 WeakPolarHBondContact CB-O 3.38Å; L128-I172 HydrophobicContact CD2-CB 4.37Å; L128-I172 HydrophobicContact CD2-CG2 3.74Å; L128-I172 PolarHBondContact N-O 3.3Å; L128-L174 HydrophobicContact CD1-CD1 4.14Å; L128-L174 HydrophobicContact CD1-CD2 4.41Å; L128-L234 HydrophobicContact CD2-CD2 4.33Å
129	Y	92.7	Very high	90.7	Very high	28 Å²	28	49.4 Å²	49.4	11%	0.11	25%	0.254	C	S	.	.	H	α-helix	trans	-66.5	-54.4	174.4	168.6	-88	0	0	0	110.9	D127 Y131 I132 C133 E170 Y573	D127-Y129 PolarHBondContact O-N 2.88Å; D127-Y129 WeakPolarHBondContact OD1-CB 3.42Å; D127-Y129 PolarHBondContact OD1-N 3.19Å; Y129-Y131 VanDerWaalsContact C-N 3.33Å; Y129-Y131 PolarHBondContact O-N 2.85Å; Y129-I132 PolarHBondContact O-N 2.76Å; Y129-I132 VanDerWaalsContact O-N 3.16Å; Y129-C133 VanDerWaalsContact CZ-SG 3.56Å; Y129-C133 PolarHBondContact O-N 3.41Å; Y129-E170 HydrophobicContact CD2-CG 4.47Å; Y129-E170 HydrophobicContact CG-CG 4.17Å; Y129-Y573 HydrophobicContact CD2-CD1 4.49Å; Y129-Y573 HydrophobicContact CD2-CE1 4.16Å; Y129-Y573 AromaticContact CE2-CD1 3.48Å; Y129-Y573 HydrophobicContact CE2-CD1 3.48Å; Y129-Y573 VanDerWaalsContact CE2-CD1 3.48Å; Y129-Y573 AromaticContact CE2-CD2 3.9Å; Y129-Y573 HydrophobicContact CE2-CD2 3.9Å; Y129-Y573 AromaticContact CE2-CE1 3.55Å; Y129-Y573 HydrophobicContact CE2-CE1 3.55Å; Y129-Y573 AromaticContact CE2-CE2 3.98Å; Y129-Y573 HydrophobicContact CE2-CE2 3.98Å; Y129-Y573 AromaticContact CE2-CG 3.64Å; Y129-Y573 HydrophobicContact CE2-CG 3.64Å; Y129-Y573 AromaticContact CE2-CZ 3.8Å; Y129-Y573 AromaticContact CZ-CD1 3.85Å; Y129-Y573 VanDerWaalsContact OH-CB 3.26Å; Y129-Y573 WeakPolarHBondContact OH-CB 3.28Å
130	D	90.9	Very high	90.7	Very high	63 Å²	63	52.1 Å²	52.1	34%	0.337	27%	0.266	S	S	.	.	H	α-helix	trans	-62.7	-40.2	178.9	-88	-3	0	0	0	111.2	D127 I132 C133 D134	D127-D130 PolarHBondContact OD1-N 2.96Å; D130-I132 VanDerWaalsContact C-N 3.3Å; D130-I132 PolarHBondContact O-N 3.08Å; D130-C133 PolarHBondContact O-N 2.92Å; D130-D134 PolarHBondContact O-N 3.23Å
131	Y	91.8	Very high	90.7	Very high	79 Å²	79	56.3 Å²	56.3	31%	0.31	29%	0.285	S	S	.	.	H	α-helix	trans	-55.1	-43	174.1	179	-90.2	0	0	0	112.8	D127 L128 Y129 K135 L138 F146 L174	D127-Y131 PolarHBondContact O-N 2.88Å; L128-Y131 HydrophobicContact CD1-CD1 4.09Å; Y129-Y131 VanDerWaalsContact C-N 3.33Å; Y129-Y131 PolarHBondContact O-N 2.85Å; Y131-K135 HydrophobicContact CE1-CD 3.7Å; Y131-K135 WeakPolarHBondContact O-CB 3.46Å; Y131-K135 PolarHBondContact O-N 3.4Å; Y131-K135 PolarHBondContact OH-NZ 3.27Å; Y131-L138 HydrophobicContact CD1-CD2 4.43Å; Y131-L138 HydrophobicContact CE1-CD2 3.87Å; Y131-F146 HydrophobicContact CD1-CE2 4.39Å; Y131-F146 HydrophobicContact CD1-CZ 4.28Å; Y131-F146 AromaticContact CE1-CE2 3.75Å; Y131-F146 HydrophobicContact CE1-CE2 3.75Å; Y131-F146 AromaticContact CE1-CZ 3.64Å; Y131-F146 HydrophobicContact CE1-CZ 3.64Å; Y131-F146 AromaticContact CZ-CZ 3.99Å; Y131-L174 HydrophobicContact CD1-CD1 4.22Å; Y131-L174 HydrophobicContact CD2-CD1 3.76Å; Y131-L174 HydrophobicContact CE2-CD1 4.39Å; Y131-L174 HydrophobicContact CG-CD1 3.68Å
132	I	89.8	Confident	90.7	Very high	5 Å²	5	57.4 Å²	57.4	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-69.4	-43.9	178.4	-73.1	164.8	0	0	0	110.8	L128 Y129 D130 K135 K136 L138 L169 L234 W570	L128-I132 HydrophobicContact CD1-CD1 4.11Å; L128-I132 HydrophobicContact CD1-CG1 4.23Å; L128-I132 HydrophobicContact CG-CD1 3.91Å; L128-I132 HydrophobicContact CG-CG1 4.49Å; L128-I132 WeakPolarHBondContact O-CB 3.45Å; L128-I132 WeakPolarHBondContact O-CD1 3.38Å; L128-I132 WeakPolarHBondContact O-CG1 3.37Å; L128-I132 PolarHBondContact O-N 3.3Å; L128-I132 VanDerWaalsContact O-N 3.14Å; Y129-I132 PolarHBondContact O-N 2.76Å; Y129-I132 VanDerWaalsContact O-N 3.16Å; D130-I132 VanDerWaalsContact C-N 3.3Å; D130-I132 PolarHBondContact O-N 3.08Å; I132-K135 PolarHBondContact O-N 3.4Å; I132-K136 PolarHBondContact O-N 2.8Å; I132-L138 HydrophobicContact CD1-CD1 4.42Å; I132-L138 HydrophobicContact CG1-CD1 4.1Å; I132-L138 HydrophobicContact CG1-CG 4.39Å; I132-L169 HydrophobicContact CD1-CD1 3.94Å; I132-L169 HydrophobicContact CD1-CD2 3.75Å; I132-L169 HydrophobicContact CD1-CG 4.44Å; I132-L234 HydrophobicContact CD1-CD2 3.58Å; I132-W570 HydrophobicContact CG2-CH2 3.21Å; I132-W570 HydrophobicContact CG2-CZ2 4.25Å; I132-W570 HydrophobicContact CG2-CZ3 3.5Å
133	C	87.6	Confident	90.8	Very high	36 Å²	36	55.7 Å²	55.7	24%	0.243	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-42.9	179.7	-76.8	0	0	0	0	113.2	Y129 D130	Y129-C133 VanDerWaalsContact CZ-SG 3.56Å; Y129-C133 PolarHBondContact O-N 3.41Å; D130-C133 PolarHBondContact O-N 2.92Å
134	D	87.8	Confident	90.8	Very high	141 Å²	141	56.3 Å²	56.3	75%	0.754	29%	0.285	S	S	*	.	H	α-helix	trans	-70	-39.1	177.7	-91.3	-4.6	0	0	0	112.1	D130	D130-D134 PolarHBondContact O-N 3.23Å
135	K	83.8	Confident	91	Very high	70 Å²	70	57.2 Å²	57.2	30%	0.304	28%	0.284	S	S	.	.	H	α-helix	trans	-77.7	-21.7	-178.2	-166.8	170.5	173.6	-172.9	0	113.9	Y131 I132 N137 L138 E142	Y131-K135 HydrophobicContact CE1-CD 3.7Å; Y131-K135 WeakPolarHBondContact O-CB 3.46Å; Y131-K135 PolarHBondContact O-N 3.4Å; Y131-K135 PolarHBondContact OH-NZ 3.27Å; I132-K135 PolarHBondContact O-N 3.4Å; K135-N137 PolarHBondContact O-N 2.94Å; K135-L138 HydrophobicContact CD-CD2 3.84Å; K135-E142 IonicContact NZ-OE1 3.81Å; K135-E142 PolarHBondContact NZ-OE1 2.8Å; K135-E142 IonicContact NZ-OE2 3.76Å; K135-E142 PolarHBondContact NZ-OE2 3.17Å
136	K	75.1	Confident	91.2	Very high	133 Å²	133	52.6 Å²	52.6	58%	0.578	26%	0.263	S	S	*	.			trans	63	-15.6	173.2	-55.5	169.3	-170.4	167.9	0	117.9	I132 W570	I132-K136 PolarHBondContact O-N 2.8Å; K136-W570 WeakPolarHBondContact O-CZ2 3.5Å; K136-W570 PolarHBondContact O-NE1 2.86Å
137	N	77.1	Confident	91.5	Very high	129 Å²	129	51.9 Å²	51.9	69%	0.69	26%	0.255	S	S	*	.			trans	-156.9	135.3	168.8	-77	-59.4	0	0	0	108.6	K135	K135-N137 PolarHBondContact O-N 2.94Å
138	L	89.6	Confident	91.7	Very high	26 Å²	26	53.2 Å²	53.2	14%	0.136	26%	0.26	C	S	.	.			trans	-93	146.9	163.1	-61.4	-174.3	0	0	0	109.6	Y131 I132 K135 A143 F146 L234	Y131-L138 HydrophobicContact CD1-CD2 4.43Å; Y131-L138 HydrophobicContact CE1-CD2 3.87Å; I132-L138 HydrophobicContact CD1-CD1 4.42Å; I132-L138 HydrophobicContact CG1-CD1 4.1Å; I132-L138 HydrophobicContact CG1-CG 4.39Å; K135-L138 HydrophobicContact CD-CD2 3.84Å; L138-A143 HydrophobicContact CB-CB 4.41Å; L138-A143 HydrophobicContact CD1-CB 4.37Å; L138-F146 HydrophobicContact CD1-CD2 4.09Å; L138-F146 HydrophobicContact CD1-CE2 4.26Å; L138-F146 HydrophobicContact CD2-CE2 4.28Å; L138-L234 HydrophobicContact CD1-CB 4.41Å; L138-L234 HydrophobicContact CD1-CD2 3.53Å
139	S	93.6	Very high	91.9	Very high	53 Å²	53	54 Å²	54	37%	0.371	26%	0.264	S	S	.	.			trans	-72.5	152.3	161	66.7	0	0	0	0	110.1	H141 E142 A143	S139-H141 PolarHBondContact O-N 3.04Å; S139-H141 VanDerWaalsContact O-N 3.15Å; S139-E142 WeakPolarHBondContact CB-OE2 3.2Å; S139-E142 PolarHBondContact N-OE2 2.69Å; S139-E142 PolarHBondContact O-N 2.91Å; S139-E142 WeakPolarHBondContact OG-CG 3.21Å; S139-E142 PolarHBondContact OG-N 3.32Å; S139-E142 PolarHBondContact OG-OE2 3.28Å; S139-A143 PolarHBondContact O-N 3.1Å
140	E	93.6	Very high	92.2	Very high	57 Å²	57	52.6 Å²	52.6	27%	0.266	26%	0.258	S	S	.	.	H	α-helix	trans	-61.9	-24.2	178.3	-176.7	145.1	-156.1	0	0	112.5	R144 S265 D266 A267 W293	E140-R144 WeakPolarHBondContact O-CB 3.17Å; E140-R144 PolarHBondContact O-N 2.91Å; E140-S265 VanDerWaalsContact CD-OG 3.29Å; E140-S265 WeakPolarHBondContact OE1-CB 3.43Å; E140-S265 PolarHBondContact OE1-OG 3.15Å; E140-S265 WeakPolarHBondContact OE2-CB 3.36Å; E140-D266 PolarHBondContact OE1-N 2.82Å; E140-D266 VanDerWaalsContact OE1-N 3.08Å; E140-A267 PolarHBondContact OE1-N 2.89Å; E140-W293 HydrophobicContact CG-CZ2 3.97Å; E140-W293 PolarHBondContact OE1-NE1 2.94Å
141	H	95.5	Very high	92.5	Very high	113 Å²	113	49.6 Å²	49.6	52%	0.523	24%	0.242	S	C	.	.	H	α-helix	trans	-67	-44.3	170.4	-179.9	-91.3	0	0	0	112.8	S139 R144 H145	S139-H141 PolarHBondContact O-N 3.04Å; S139-H141 VanDerWaalsContact O-N 3.15Å; H141-R144 PolarHBondContact O-N 2.88Å; H141-H145 PolarHBondContact O-N 3.44Å
142	E	95.4	Very high	92.8	Very high	61 Å²	61	47.3 Å²	47.3	29%	0.285	24%	0.238	S	C	.	.	H	α-helix	trans	-74	-40.8	-179.9	-65.5	161.1	130.3	0	0	111.6	K135 S139 R144 H145 F146	K135-E142 IonicContact NZ-OE1 3.81Å; K135-E142 PolarHBondContact NZ-OE1 2.8Å; K135-E142 IonicContact NZ-OE2 3.76Å; K135-E142 PolarHBondContact NZ-OE2 3.17Å; S139-E142 WeakPolarHBondContact CB-OE2 3.2Å; S139-E142 PolarHBondContact N-OE2 2.69Å; S139-E142 PolarHBondContact O-N 2.91Å; S139-E142 WeakPolarHBondContact OG-CG 3.21Å; S139-E142 PolarHBondContact OG-N 3.32Å; S139-E142 PolarHBondContact OG-OE2 3.28Å; E142-R144 VanDerWaalsContact C-N 3.28Å; E142-R144 PolarHBondContact O-N 3.38Å; E142-H145 WeakPolarHBondContact O-CB 3.43Å; E142-H145 PolarHBondContact O-N 3.26Å; E142-H145 VanDerWaalsContact O-N 3.07Å; E142-F146 HydrophobicContact CB-CE2 4.36Å; E142-F146 WeakPolarHBondContact O-CD2 3.38Å; E142-F146 PolarHBondContact O-N 3.5Å
143	A	96.9	Very high	93.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.4	-44.2	171.3	0	0	0	0	0	111.2	L138 S139 F147 L234 V235	L138-A143 HydrophobicContact CB-CB 4.41Å; L138-A143 HydrophobicContact CD1-CB 4.37Å; S139-A143 PolarHBondContact O-N 3.1Å; A143-F147 WeakPolarHBondContact O-CB 3.21Å; A143-F147 PolarHBondContact O-N 3.31Å; A143-L234 HydrophobicContact CB-CB 4.01Å; A143-V235 HydrophobicContact CB-CG1 3.77Å
144	R	97.8	Very high	93.7	Very high	16 Å²	16	45.5 Å²	45.5	6%	0.06	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-42.2	172	-178	-175	-62.7	111.9	6.5	112.4	E140 H141 E142 R148 W293 W296 Y298	E140-R144 WeakPolarHBondContact O-CB 3.17Å; E140-R144 PolarHBondContact O-N 2.91Å; H141-R144 PolarHBondContact O-N 2.88Å; E142-R144 VanDerWaalsContact C-N 3.28Å; E142-R144 PolarHBondContact O-N 3.38Å; R144-R148 WeakPolarHBondContact O-CB 3.5Å; R144-R148 PolarHBondContact O-N 2.7Å; R144-W293 VanDerWaalsContact CA-CH2 3.46Å; R144-W293 HydrophobicContact CB-CH2 3.65Å; R144-W293 HydrophobicContact CB-CZ2 3.95Å; R144-W293 HydrophobicContact CB-CZ3 4.05Å; R144-W293 WeakPolarHBondContact CD-O 3.16Å; R144-W293 HydrophobicContact CG-CE3 4.42Å; R144-W293 HydrophobicContact CG-CH2 4.23Å; R144-W293 HydrophobicContact CG-CZ3 4.13Å; R144-W293 PolarHBondContact NE-O 2.85Å; R144-W293 VanDerWaalsContact NH2-NE1 3.13Å; R144-W296 VanDerWaalsContact CD-O 3.29Å; R144-W296 WeakPolarHBondContact CD-O 3.43Å; R144-Y298 HydrophobicContact CG-CE2 4.37Å
145	H	97.3	Very high	94.2	Very high	65 Å²	65	39.8 Å²	39.8	30%	0.301	19%	0.194	S	C	.	.	H	α-helix	trans	-61.7	-54.1	179.7	-172.4	74.8	0	0	0	111.9	H141 E142 F147 R148 Q149 Y298	H141-H145 PolarHBondContact O-N 3.44Å; E142-H145 WeakPolarHBondContact O-CB 3.43Å; E142-H145 PolarHBondContact O-N 3.26Å; E142-H145 VanDerWaalsContact O-N 3.07Å; H145-F147 PolarHBondContact O-N 3.44Å; H145-R148 PolarHBondContact O-N 2.72Å; H145-Q149 PolarHBondContact NE2-NE2 2.91Å; H145-Q149 WeakPolarHBondContact O-CG 3.11Å; H145-Q149 PolarHBondContact O-N 2.86Å; H145-Y298 PolarHBondContact ND1-OH 3.13Å
146	F	98.1	Very high	94.8	Very high	11 Å²	11	38.4 Å²	38.4	5%	0.048	19%	0.188	C	C	.	.	H	α-helix	trans	-60	-48.9	176.1	-62.4	-56.7	0	0	0	111.3	L128 Y131 L138 E142 R148 Q149 I150 L174 V180	L128-F146 HydrophobicContact CD1-CD1 4.36Å; L128-F146 HydrophobicContact CD1-CD2 4.19Å; L128-F146 HydrophobicContact CD1-CE1 4.43Å; L128-F146 HydrophobicContact CD1-CE2 4.27Å; L128-F146 HydrophobicContact CD1-CG 4.24Å; L128-F146 HydrophobicContact CD1-CZ 4.38Å; Y131-F146 HydrophobicContact CD1-CE2 4.39Å; Y131-F146 HydrophobicContact CD1-CZ 4.28Å; Y131-F146 AromaticContact CE1-CE2 3.75Å; Y131-F146 HydrophobicContact CE1-CE2 3.75Å; Y131-F146 AromaticContact CE1-CZ 3.64Å; Y131-F146 HydrophobicContact CE1-CZ 3.64Å; Y131-F146 AromaticContact CZ-CZ 3.99Å; L138-F146 HydrophobicContact CD1-CD2 4.09Å; L138-F146 HydrophobicContact CD1-CE2 4.26Å; L138-F146 HydrophobicContact CD2-CE2 4.28Å; E142-F146 HydrophobicContact CB-CE2 4.36Å; E142-F146 WeakPolarHBondContact O-CD2 3.38Å; E142-F146 PolarHBondContact O-N 3.5Å; F146-R148 VanDerWaalsContact C-N 3.32Å; F146-R148 PolarHBondContact O-N 2.94Å; F146-Q149 PolarHBondContact O-N 3.19Å; F146-Q149 VanDerWaalsContact O-N 3.13Å; F146-I150 VanDerWaalsContact O-CG1 3.3Å; F146-I150 WeakPolarHBondContact O-CG1 3.4Å; F146-I150 PolarHBondContact O-N 2.76Å; F146-L174 HydrophobicContact CD1-CD2 4.1Å; F146-L174 HydrophobicContact CE1-CD1 4.44Å; F146-L174 HydrophobicContact CE1-CD2 3.77Å; F146-V180 HydrophobicContact CB-CG2 4.2Å; F146-V180 HydrophobicContact CD1-CG2 4Å
147	F	98.5	Very high	95.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-35.6	-177.3	-167.7	-110.7	0	0	0	112.9	A143 H145 I150 V151 L227 L230 L231 L234 L270 M274 V288 W293 L294	A143-F147 WeakPolarHBondContact O-CB 3.21Å; A143-F147 PolarHBondContact O-N 3.31Å; H145-F147 PolarHBondContact O-N 3.44Å; F147-I150 PolarHBondContact O-N 2.98Å; F147-V151 HydrophobicContact CD1-CG2 3.95Å; F147-V151 HydrophobicContact CE1-CG2 3.53Å; F147-V151 HydrophobicContact CE2-CG2 4.19Å; F147-V151 HydrophobicContact CG-CG2 4.42Å; F147-V151 HydrophobicContact CZ-CG2 3.65Å; F147-V151 WeakPolarHBondContact O-CB 3.4Å; F147-V151 VanDerWaalsContact O-CG2 3.28Å; F147-V151 WeakPolarHBondContact O-CG2 3.28Å; F147-V151 PolarHBondContact O-N 3.37Å; F147-L227 HydrophobicContact CE2-CB 3.94Å; F147-L227 HydrophobicContact CE2-CD2 3.86Å; F147-L227 HydrophobicContact CE2-CG 4.43Å; F147-L227 WeakPolarHBondContact CE2-O 3.33Å; F147-L227 HydrophobicContact CZ-CB 4Å; F147-L227 HydrophobicContact CZ-CD2 4.46Å; F147-L230 HydrophobicContact CD2-CD2 3.81Å; F147-L230 HydrophobicContact CE2-CD2 4.23Å; F147-L231 HydrophobicContact CB-CD1 4.17Å; F147-L231 HydrophobicContact CD1-CD1 3.92Å; F147-L231 HydrophobicContact CD1-CD2 4.03Å; F147-L231 HydrophobicContact CD1-CG 4.37Å; F147-L231 HydrophobicContact CD2-CB 4.01Å; F147-L231 HydrophobicContact CD2-CD1 4.27Å; F147-L231 HydrophobicContact CE1-CB 4.33Å; F147-L231 HydrophobicContact CE1-CD1 4.44Å; F147-L231 HydrophobicContact CE1-CD2 3.78Å; F147-L231 HydrophobicContact CE1-CG 4.4Å; F147-L231 HydrophobicContact CE2-CB 3.78Å; F147-L231 HydrophobicContact CG-CB 4.39Å; F147-L231 HydrophobicContact CG-CD1 3.85Å; F147-L231 HydrophobicContact CZ-CB 3.97Å; F147-L231 HydrophobicContact CZ-CD2 4.15Å; F147-L234 HydrophobicContact CB-CD1 3.9Å; F147-L234 HydrophobicContact CD2-CD1 4.25Å; F147-L234 HydrophobicContact CG-CD1 4.49Å; F147-L270 HydrophobicContact CE1-CD2 4.38Å; F147-M274 HydrophobicContact CE1-CE 3.97Å; F147-M274 HydrophobicContact CE2-CE 4.42Å; F147-M274 HydrophobicContact CZ-CE 3.51Å; F147-M274 HydrophobicContact CZ-SD 3.87Å; F147-V288 HydrophobicContact CE1-CG1 3.99Å; F147-V288 HydrophobicContact CZ-CG1 4.27Å; F147-W293 HydrophobicContact CD1-CZ3 4.08Å; F147-L294 HydrophobicContact CD1-CD1 3.45Å; F147-L294 VanDerWaalsContact CD1-CD1 3.45Å; F147-L294 HydrophobicContact CE1-CD1 4.06Å; F147-L294 HydrophobicContact CG-CD1 4.42Å
148	R	98.3	Very high	96.7	Very high	31 Å²	31	26.4 Å²	26.4	12%	0.117	13%	0.13	C	C	.	.	H	α-helix	trans	-61.7	-43.1	173.1	-175.6	-175.7	175.2	84.8	0.8	112.1	R144 H145 F146 S152 L294 N295 Y298 Q300 L302	R144-R148 WeakPolarHBondContact O-CB 3.5Å; R144-R148 PolarHBondContact O-N 2.7Å; H145-R148 PolarHBondContact O-N 2.72Å; F146-R148 VanDerWaalsContact C-N 3.32Å; F146-R148 PolarHBondContact O-N 2.94Å; R148-S152 WeakPolarHBondContact O-CB 3.29Å; R148-S152 PolarHBondContact O-N 3.04Å; R148-L294 HydrophobicContact CB-CD1 4.05Å; R148-L294 HydrophobicContact CB-CG 4.2Å; R148-L294 HydrophobicContact CG-CG 4.31Å; R148-L294 PolarHBondContact NH1-O 3.15Å; R148-N295 PolarHBondContact NH1-OD1 3.25Å; R148-Y298 VanDerWaalsContact CD-CZ 3.49Å; R148-Q300 PolarHBondContact NH2-O 3.04Å; R148-L302 HydrophobicContact CG-CD1 3.84Å; R148-L302 VanDerWaalsContact O-CD1 3.25Å; R148-L302 WeakPolarHBondContact O-CD1 3.35Å
149	Q	98.4	Very high	96.9	Very high	16 Å²	16	30.4 Å²	30.4	8%	0.075	15%	0.148	C	C	.	.	H	α-helix	trans	-67	-39.8	176.5	-65.9	-174.4	-15.1	0	0	112.1	H102 H145 F146 S152 A153 N179 V180	H102-Q149 PolarHBondContact CE1-NE2 3.08Å; H102-Q149 WeakPolarHBondContact NE2-CG 3.39Å; H145-Q149 PolarHBondContact NE2-NE2 2.91Å; H145-Q149 WeakPolarHBondContact O-CG 3.11Å; H145-Q149 PolarHBondContact O-N 2.86Å; F146-Q149 PolarHBondContact O-N 3.19Å; F146-Q149 VanDerWaalsContact O-N 3.13Å; Q149-S152 WeakPolarHBondContact O-CB 3.44Å; Q149-S152 PolarHBondContact O-N 2.99Å; Q149-A153 PolarHBondContact O-N 2.96Å; Q149-N179 PolarHBondContact NE2-OD1 3.33Å; Q149-V180 HydrophobicContact CB-CB 3.74Å; Q149-V180 HydrophobicContact CB-CG1 4.33Å; Q149-V180 HydrophobicContact CB-CG2 3.87Å
150	I	98.6	Very high	96.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.2	-51.2	174.9	-63.6	161.9	0	0	0	110.7	L128 F146 F147 S152 A153 V154 I172 V180 I182 L227 L230	L128-I150 HydrophobicContact CD2-CD1 4.19Å; F146-I150 VanDerWaalsContact O-CG1 3.3Å; F146-I150 WeakPolarHBondContact O-CG1 3.4Å; F146-I150 PolarHBondContact O-N 2.76Å; F147-I150 PolarHBondContact O-N 2.98Å; I150-S152 PolarHBondContact O-N 2.87Å; I150-A153 PolarHBondContact O-N 3.04Å; I150-A153 VanDerWaalsContact O-N 3.11Å; I150-V154 HydrophobicContact CG2-CG2 4.3Å; I150-V154 WeakPolarHBondContact O-CG2 3.3Å; I150-V154 PolarHBondContact O-N 3.01Å; I150-I172 HydrophobicContact CD1-CD1 3.8Å; I150-I172 HydrophobicContact CD1-CG2 4.48Å; I150-I172 HydrophobicContact CG1-CD1 4.09Å; I150-I172 HydrophobicContact CG1-CG2 4.47Å; I150-I172 HydrophobicContact CG2-CD1 4.38Å; I150-V180 HydrophobicContact CD1-CG2 4.49Å; I150-V180 HydrophobicContact CG1-CB 4.46Å; I150-V180 HydrophobicContact CG1-CG1 3.66Å; I150-V180 HydrophobicContact CG1-CG2 3.98Å; I150-I182 HydrophobicContact CG2-CD1 4.17Å; I150-L227 HydrophobicContact CG2-CD2 3.48Å; I150-L227 VanDerWaalsContact CG2-CD2 3.48Å; I150-L230 HydrophobicContact CD1-CD1 4.38Å; I150-L230 HydrophobicContact CD1-CD2 3.7Å
151	V	98.6	Very high	96.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.3	-38.4	178.5	168.5	0	0	0	0	111.3	F147 A153 V154 H155 L227 I285 V288 A289 L294 L302	F147-V151 HydrophobicContact CD1-CG2 3.95Å; F147-V151 HydrophobicContact CE1-CG2 3.53Å; F147-V151 HydrophobicContact CE2-CG2 4.19Å; F147-V151 HydrophobicContact CG-CG2 4.42Å; F147-V151 HydrophobicContact CZ-CG2 3.65Å; F147-V151 WeakPolarHBondContact O-CB 3.4Å; F147-V151 VanDerWaalsContact O-CG2 3.28Å; F147-V151 WeakPolarHBondContact O-CG2 3.28Å; F147-V151 PolarHBondContact O-N 3.37Å; V151-A153 PolarHBondContact O-N 3.01Å; V151-V154 PolarHBondContact O-N 2.66Å; V151-H155 WeakPolarHBondContact O-CB 3.29Å; V151-H155 PolarHBondContact O-N 3Å; V151-L227 HydrophobicContact CG2-CD1 4.4Å; V151-I285 HydrophobicContact CG1-CD1 4.08Å; V151-V288 HydrophobicContact CG1-CG1 4.2Å; V151-V288 HydrophobicContact CG2-CG1 3.76Å; V151-A289 HydrophobicContact CG1-CB 3.86Å; V151-L294 HydrophobicContact CB-CD2 4.03Å; V151-L294 HydrophobicContact CG1-CD2 3.76Å; V151-L294 HydrophobicContact CG2-CD2 4.22Å; V151-L302 HydrophobicContact CB-CD1 4.26Å; V151-L302 HydrophobicContact CG1-CD1 4Å
152	S	98.3	Very high	96.8	Very high	31 Å²	31	21.2 Å²	21.2	22%	0.217	10%	0.103	C	C	.	.	H	α-helix	trans	-59.3	-44.9	175.8	-176	0	0	0	0	112.2	H100 R148 Q149 I150 Y156	H100-S152 PolarHBondContact CE1-OG 2.91Å; H100-S152 PolarHBondContact NE2-O 3.06Å; H100-S152 PolarHBondContact NE2-OG 3.04Å; H100-S152 VanDerWaalsContact NE2-OG 3.13Å; R148-S152 WeakPolarHBondContact O-CB 3.29Å; R148-S152 PolarHBondContact O-N 3.04Å; Q149-S152 WeakPolarHBondContact O-CB 3.44Å; Q149-S152 PolarHBondContact O-N 2.99Å; I150-S152 PolarHBondContact O-N 2.87Å; S152-Y156 WeakPolarHBondContact O-CB 3.23Å; S152-Y156 PolarHBondContact O-N 2.73Å; S152-Y156 VanDerWaalsContact O-N 3.08Å
153	A	97.9	Very high	96.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-69.4	-43.5	176.9	0	0	0	0	0	113.3	H100 H102 I103 Q149 I150 V151 Y156 C157 I182	H100-A153 WeakPolarHBondContact CE1-CA 3.48Å; H100-A153 PolarHBondContact CE1-N 2.96Å; H100-A153 VanDerWaalsContact CE1-N 3.32Å; H102-A153 HydrophobicContact CB-CB 4.07Å; I103-A153 HydrophobicContact CD1-CB 4.18Å; I103-A153 HydrophobicContact CG1-CB 3.75Å; Q149-A153 PolarHBondContact O-N 2.96Å; I150-A153 PolarHBondContact O-N 3.04Å; I150-A153 VanDerWaalsContact O-N 3.11Å; V151-A153 PolarHBondContact O-N 3.01Å; A153-Y156 WeakPolarHBondContact O-CB 3.15Å; A153-Y156 PolarHBondContact O-N 3.07Å; A153-C157 PolarHBondContact O-N 2.98Å; A153-C157 PolarHBondContact O-SG 3.15Å; A153-C157 VanDerWaalsContact O-SG 3.4Å; A153-I182 HydrophobicContact CB-CD1 3.55Å; A153-I182 HydrophobicContact CB-CG1 4.1Å
154	V	98.1	Very high	96.7	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.018	9%	0.09	C	C	.	.	H	α-helix	trans	-65.9	-43	179.6	177.7	0	0	0	0	111	I150 V151 Y156 C157 H158 L167 I182 D223 L227 I285	I150-V154 HydrophobicContact CG2-CG2 4.3Å; I150-V154 WeakPolarHBondContact O-CG2 3.3Å; I150-V154 PolarHBondContact O-N 3.01Å; V151-V154 PolarHBondContact O-N 2.66Å; V154-Y156 VanDerWaalsContact C-N 3.32Å; V154-Y156 PolarHBondContact O-N 2.93Å; V154-C157 WeakPolarHBondContact O-CB 3.47Å; V154-C157 PolarHBondContact O-N 2.95Å; V154-C157 VanDerWaalsContact O-N 3.17Å; V154-H158 WeakPolarHBondContact CG1-NE2 3.32Å; V154-H158 PolarHBondContact O-CD2 3.34Å; V154-H158 PolarHBondContact O-N 3.22Å; V154-L167 HydrophobicContact CG1-CD1 4.19Å; V154-L167 HydrophobicContact CG2-CD1 3.67Å; V154-L167 HydrophobicContact CG2-CD2 3.92Å; V154-L167 HydrophobicContact CG2-CG 4.48Å; V154-I182 HydrophobicContact CG2-CD1 3.93Å; V154-D223 HydrophobicContact CG1-CB 4.3Å; V154-L227 HydrophobicContact CB-CD1 4.29Å; V154-L227 HydrophobicContact CG1-CD1 4.09Å; V154-L227 HydrophobicContact CG2-CD1 4.38Å; V154-L227 HydrophobicContact CG2-CD2 4.34Å; V154-I285 HydrophobicContact CB-CD1 4.2Å; V154-I285 HydrophobicContact CG1-CD1 3.94Å; V154-I285 HydrophobicContact CG1-CG1 4.27Å
155	H	97.4	Very high	96.6	Very high	20 Å²	20	18.9 Å²	18.9	9%	0.093	9%	0.091	C	C	.	.	H	α-helix	trans	-57.2	-43.9	171.7	172.9	-117.6	0	0	0	111.8	V151 C157 H158 Q159 I285 L303	V151-H155 WeakPolarHBondContact O-CB 3.29Å; V151-H155 PolarHBondContact O-N 3Å; H155-C157 PolarHBondContact O-N 2.64Å; H155-H158 PolarHBondContact O-N 2.95Å; H155-Q159 PolarHBondContact CE1-NE2 2.83Å; H155-Q159 PolarHBondContact NE2-NE2 2.99Å; H155-Q159 WeakPolarHBondContact O-CG 3.24Å; H155-Q159 PolarHBondContact O-N 3.19Å; H155-I285 HydrophobicContact CB-CG1 3.83Å; H155-L303 WeakPolarHBondContact CE1-CD2 3.26Å
156	Y	96.6	Very high	96.3	Very high	41 Å²	41	16.1 Å²	16.1	16%	0.161	8%	0.079	C	C	.	.	H	α-helix	trans	-62.2	-41	175.1	176.2	-91.3	0	0	0	112.7	L98 C99 H100 I103 S152 A153 V154 N160	L98-Y156 HydrophobicContact CB-CE1 4.21Å; L98-Y156 HydrophobicContact CD2-CD1 3.92Å; L98-Y156 HydrophobicContact CD2-CE1 3.52Å; L98-Y156 HydrophobicContact CG-CE1 4.49Å; C99-Y156 PolarHBondContact N-OH 2.97Å; C99-Y156 VanDerWaalsContact O-CZ 3.26Å; C99-Y156 PolarHBondContact O-OH 3.39Å; H100-Y156 HydrophobicContact CB-CD1 3.78Å; H100-Y156 HydrophobicContact CB-CE1 3.93Å; H100-Y156 HydrophobicContact CB-CG 4.08Å; H100-Y156 AromaticContact CD2-CD2 3.87Å; H100-Y156 AromaticContact CD2-CG 3.63Å; I103-Y156 HydrophobicContact CD1-CD1 3.97Å; I103-Y156 HydrophobicContact CD1-CE1 4.48Å; S152-Y156 WeakPolarHBondContact O-CB 3.23Å; S152-Y156 PolarHBondContact O-N 2.73Å; S152-Y156 VanDerWaalsContact O-N 3.08Å; A153-Y156 WeakPolarHBondContact O-CB 3.15Å; A153-Y156 PolarHBondContact O-N 3.07Å; V154-Y156 VanDerWaalsContact C-N 3.32Å; V154-Y156 PolarHBondContact O-N 2.93Å; Y156-N160 WeakPolarHBondContact O-CB 3.46Å; Y156-N160 PolarHBondContact O-N 3.4Å; Y156-N160 PolarHBondContact O-ND2 3.25Å
157	C	96.3	Very high	96.3	Very high	5 Å²	5	15.7 Å²	15.7	3%	0.034	8%	0.077	C	C	.	.	H	α-helix	trans	-61.2	-47.5	173.5	-70.3	0	0	0	0	111.7	A153 V154 H155 N160 G161 I162	A153-C157 PolarHBondContact O-N 2.98Å; A153-C157 PolarHBondContact O-SG 3.15Å; A153-C157 VanDerWaalsContact O-SG 3.4Å; V154-C157 WeakPolarHBondContact O-CB 3.47Å; V154-C157 PolarHBondContact O-N 2.95Å; V154-C157 VanDerWaalsContact O-N 3.17Å; H155-C157 PolarHBondContact O-N 2.64Å; C157-N160 CarbonylContact O-C 3.55Å; C157-N160 WeakPolarHBondContact O-CA 3.5Å; C157-N160 PolarHBondContact O-N 3.47Å; C157-G161 PolarHBondContact O-N 3.07Å; C157-I162 CarbonylContact C-O 3.39Å; C157-I162 HydrophobicContact CB-CB 4.39Å; C157-I162 HydrophobicContact CB-CG2 4.39Å; C157-I162 PolarHBondContact O-N 2.96Å; C157-I162 VanDerWaalsContact O-O 3.07Å
158	H	95.6	Very high	96	Very high	6 Å²	6	16.7 Å²	16.7	3%	0.028	8%	0.082	C	C	.	.	H	α-helix	trans	-62.9	-45.1	-179.4	-68	-174.5	0	0	0	111.5	V154 H155 N160 G161 I162 Y191 D223 I285	V154-H158 WeakPolarHBondContact CG1-NE2 3.32Å; V154-H158 PolarHBondContact O-CD2 3.34Å; V154-H158 PolarHBondContact O-N 3.22Å; H155-H158 PolarHBondContact O-N 2.95Å; H158-N160 PolarHBondContact O-N 3.42Å; H158-N160 VanDerWaalsContact O-N 3.15Å; H158-G161 PolarHBondContact O-N 3.19Å; H158-I162 PolarHBondContact CD2-O 2.93Å; H158-I162 PolarHBondContact N-O 2.95Å; H158-Y191 PolarHBondContact O-OH 3.36Å; H158-Y191 VanDerWaalsContact O-OH 3.09Å; H158-D223 IonicContact CD2-OD2 2.69Å; H158-D223 IonicContact CE1-OD2 2.76Å; H158-D223 IonicContact NE2-OD2 3.3Å; H158-D223 PolarHBondContact NE2-OD2 3.01Å; H158-I285 HydrophobicContact CB-CG2 4.16Å; H158-I285 WeakPolarHBondContact ND1-CG2 3.37Å
159	Q	94.2	Very high	95.8	Very high	110 Å²	110	15.3 Å²	15.3	51%	0.514	8%	0.077	S	C	.	.	H	α-helix	trans	-57.5	-28.4	171.9	-74.7	-162.7	-9.3	0	0	113.5	H155 T328	H155-Q159 PolarHBondContact CE1-NE2 2.83Å; H155-Q159 PolarHBondContact NE2-NE2 2.99Å; H155-Q159 WeakPolarHBondContact O-CG 3.24Å; H155-Q159 PolarHBondContact O-N 3.19Å; Q159-T328 WeakPolarHBondContact O-CG2 3.45Å
160	N	93.3	Very high	95.5	Very high	19 Å²	19	16.6 Å²	16.6	10%	0.102	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	5	177.1	-79.7	-69.9	0	0	0	114.2	L98 Y156 C157 H158 I162 T328 V329 A330	L98-N160 HydrophobicContact CD2-CB 4.48Å; Y156-N160 WeakPolarHBondContact O-CB 3.46Å; Y156-N160 PolarHBondContact O-N 3.4Å; Y156-N160 PolarHBondContact O-ND2 3.25Å; C157-N160 CarbonylContact O-C 3.55Å; C157-N160 WeakPolarHBondContact O-CA 3.5Å; C157-N160 PolarHBondContact O-N 3.47Å; H158-N160 PolarHBondContact O-N 3.42Å; H158-N160 VanDerWaalsContact O-N 3.15Å; N160-I162 HydrophobicContact CB-CD1 4.2Å; N160-T328 VanDerWaalsContact C-CG2 3.41Å; N160-T328 WeakPolarHBondContact O-CG2 3.3Å; N160-V329 HydrophobicContact CB-CB 3.95Å; N160-V329 HydrophobicContact CB-CG1 4.48Å; N160-V329 HydrophobicContact CB-CG2 4.45Å; N160-V329 WeakPolarHBondContact OD1-CB 3.35Å; N160-V329 WeakPolarHBondContact OD1-CG2 3.34Å; N160-A330 WeakPolarHBondContact O-CB 3.15Å; N160-A330 PolarHBondContact O-N 2.89Å
161	G	93.6	Very high	95.2	Very high	10 Å²	10	17.2 Å²	17.2	10%	0.103	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	23.1	177.8	0	0	0	0	0	114	C157 H158 L190 Y191	C157-G161 PolarHBondContact O-N 3.07Å; H158-G161 PolarHBondContact O-N 3.19Å; G161-L190 WeakPolarHBondContact O-CA 3.39Å; G161-Y191 VanDerWaalsContact C-CE1 3.48Å; G161-Y191 WeakPolarHBondContact O-CD1 3.23Å; G161-Y191 PolarHBondContact O-N 3.27Å
162	I	94.6	Very high	95.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.9	-177.8	-67.3	151.8	0	0	0	109.1	I94 L98 C157 H158 N160 N189 L190 V329	I94-I162 HydrophobicContact CG2-CD1 4.06Å; I94-I162 HydrophobicContact CG2-CG1 4.32Å; I94-I162 HydrophobicContact CG2-CG2 3.82Å; L98-I162 HydrophobicContact CD1-CD1 4.47Å; L98-I162 HydrophobicContact CD2-CD1 3.76Å; L98-I162 HydrophobicContact CG-CD1 4.15Å; C157-I162 CarbonylContact C-O 3.39Å; C157-I162 HydrophobicContact CB-CB 4.39Å; C157-I162 HydrophobicContact CB-CG2 4.39Å; C157-I162 PolarHBondContact O-N 2.96Å; C157-I162 VanDerWaalsContact O-O 3.07Å; H158-I162 PolarHBondContact CD2-O 2.93Å; H158-I162 PolarHBondContact N-O 2.95Å; N160-I162 HydrophobicContact CB-CD1 4.2Å; I162-N189 WeakPolarHBondContact CA-O 3.37Å; I162-L190 HydrophobicContact CG1-CD2 3.62Å; I162-V329 HydrophobicContact CD1-CG1 3.87Å
163	V	95.1	Very high	95.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.7	171.7	-73.5	0	0	0	0	110.3	R165 S188 N189 Y191 L197 P220 D223	V163-R165 HydrophobicContact CB-CG 4.39Å; V163-R165 HydrophobicContact CG2-CG 4.11Å; V163-S188 CarbonylContact O-C 3.4Å; V163-S188 WeakPolarHBondContact O-CA 3.39Å; V163-S188 WeakPolarHBondContact O-CB 3.43Å; V163-N189 PolarHBondContact N-O 3.08Å; V163-N189 PolarHBondContact O-N 2.65Å; V163-Y191 HydrophobicContact CB-CD1 4.47Å; V163-Y191 HydrophobicContact CG1-CD1 3.56Å; V163-Y191 HydrophobicContact CG1-CE1 3.84Å; V163-Y191 HydrophobicContact CG1-CG 4.08Å; V163-Y191 HydrophobicContact CG2-CD1 4.38Å; V163-L197 HydrophobicContact CG2-CD1 3.85Å; V163-P220 HydrophobicContact CG1-CG 4.08Å; V163-D223 WeakPolarHBondContact CA-OD2 3.2Å
164	H	95.3	Very high	95	Very high	5 Å²	5	16.8 Å²	16.8	2%	0.023	8%	0.081	C	C	.	.			trans	-86.5	-44.6	-166	-165.6	-88.9	0	0	0	113.1	D166 L167 A183 D184 F185 L187 S188 D223	H164-D166 PolarHBondContact CE1-O 3.41Å; H164-D166 PolarHBondContact ND1-O 3.33Å; H164-D166 PolarHBondContact O-N 3.26Å; H164-L167 HydrophobicContact CB-CD1 4.35Å; H164-L167 HydrophobicContact CB-CD2 3.95Å; H164-L167 HydrophobicContact CB-CG 3.85Å; H164-A183 PolarHBondContact NE2-O 3.37Å; H164-D184 PolarHBondContact CE1-O 2.87Å; H164-F185 AromaticContact CD2-CD1 3.87Å; H164-F185 AromaticContact CD2-CE1 3.71Å; H164-F185 AromaticContact CD2-CZ 3.88Å; H164-L187 CarbonylContact O-C 3.56Å; H164-S188 WeakPolarHBondContact CA-OG 3.44Å; H164-S188 WeakPolarHBondContact O-CA 3.39Å; H164-S188 PolarHBondContact O-N 3.47Å; H164-S188 PolarHBondContact O-OG 3.02Å; H164-D223 PolarHBondContact N-OD1 3.08Å; H164-D223 PolarHBondContact N-OD2 3.25Å
165	R	94.1	Very high	94.9	Very high	23 Å²	23	17.7 Å²	17.7	9%	0.087	9%	0.086	C	C	.	.	S	Bend	trans	64.3	-7.2	175.3	-50.3	-170.3	-61.8	169.9	4.1	117.7	V163 L187 C201 G202 Y217 V222 D223	V163-R165 HydrophobicContact CB-CG 4.39Å; V163-R165 HydrophobicContact CG2-CG 4.11Å; R165-L187 PolarHBondContact NE-O 3.43Å; R165-L187 PolarHBondContact NH2-O 2.83Å; R165-C201 VanDerWaalsContact CZ-SG 3.6Å; R165-G202 WeakPolarHBondContact O-CA 3.44Å; R165-Y217 VanDerWaalsContact CD-OH 3.32Å; R165-Y217 WeakPolarHBondContact CD-OH 3.35Å; R165-Y217 PolarHBondContact NH1-OH 3.14Å; R165-V222 HydrophobicContact CG-CG2 4.3Å; R165-D223 WeakPolarHBondContact CA-OD1 3.37Å; R165-D223 PolarHBondContact N-OD1 2.91Å
166	D	92.7	Very high	94.7	Very high	8 Å²	8	18.8 Å²	18.8	4%	0.043	10%	0.102	C	C	.	.			trans	-135.5	56.9	168.1	-165	46.4	0	0	0	111.2	H164 K168 N171 L187 G202 S203	H164-D166 PolarHBondContact CE1-O 3.41Å; H164-D166 PolarHBondContact ND1-O 3.33Å; H164-D166 PolarHBondContact O-N 3.26Å; D166-K168 PolarHBondContact O-N 2.86Å; D166-K168 IonicContact OD1-NZ 3.38Å; D166-K168 WeakPolarHBondContact OD2-CE 3.46Å; D166-K168 IonicContact OD2-NZ 2.79Å; D166-K168 PolarHBondContact OD2-NZ 2.97Å; D166-N171 PolarHBondContact O-ND2 3.23Å; D166-N171 PolarHBondContact OD2-ND2 2.92Å; D166-L187 HydrophobicContact CB-CB 4.27Å; D166-L187 HydrophobicContact CB-CD1 3.89Å; D166-G202 WeakPolarHBondContact OD1-CA 3.37Å; D166-S203 WeakPolarHBondContact OD1-CB 3.49Å; D166-S203 PolarHBondContact OD1-N 3.5Å; D166-S203 PolarHBondContact OD1-OG 3Å
167	L	96.1	Very high	94.6	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.01	13%	0.131	C	C	.	.			trans	-77.1	115.8	172.7	-70.7	170.2	0	0	0	109.9	V154 H164 I182 Y206 D223 L227	V154-L167 HydrophobicContact CG1-CD1 4.19Å; V154-L167 HydrophobicContact CG2-CD1 3.67Å; V154-L167 HydrophobicContact CG2-CD2 3.92Å; V154-L167 HydrophobicContact CG2-CG 4.48Å; H164-L167 HydrophobicContact CB-CD1 4.35Å; H164-L167 HydrophobicContact CB-CD2 3.95Å; H164-L167 HydrophobicContact CB-CG 3.85Å; L167-I182 HydrophobicContact CD2-CD1 4.24Å; L167-I182 HydrophobicContact CD2-CG2 4.4Å; L167-Y206 WeakPolarHBondContact O-CD1 3.2Å; L167-D223 HydrophobicContact CD1-CB 3.78Å; L167-L227 HydrophobicContact CD1-CD2 4.19Å; L167-L227 HydrophobicContact CD1-CG 4.11Å
168	K	93.3	Very high	94.5	Very high	21 Å²	21	24.6 Å²	24.6	9%	0.091	14%	0.142	C	C	.	.			trans	-154.1	160.9	180	67.7	-167.7	-170.7	-147.7	0	110.5	D166 E170 N171 I172 S203 Y206	D166-K168 PolarHBondContact O-N 2.86Å; D166-K168 IonicContact OD1-NZ 3.38Å; D166-K168 WeakPolarHBondContact OD2-CE 3.46Å; D166-K168 IonicContact OD2-NZ 2.79Å; D166-K168 PolarHBondContact OD2-NZ 2.97Å; K168-E170 WeakPolarHBondContact CB-OE2 3.42Å; K168-E170 HydrophobicContact CD-CB 4.35Å; K168-E170 HydrophobicContact CG-CB 4.09Å; K168-E170 WeakPolarHBondContact CG-OE2 3.44Å; K168-E170 PolarHBondContact O-N 3.5Å; K168-N171 VanDerWaalsContact CE-OD1 3.23Å; K168-N171 WeakPolarHBondContact CE-OD1 3.21Å; K168-N171 HydrophobicContact CG-CB 3.97Å; K168-N171 PolarHBondContact O-N 2.88Å; K168-N171 VanDerWaalsContact O-N 3.09Å; K168-I172 WeakPolarHBondContact O-CD1 3.49Å; K168-S203 VanDerWaalsContact CD-OG 3.23Å; K168-S203 WeakPolarHBondContact CD-OG 3.43Å; K168-S203 PolarHBondContact NZ-OG 3.44Å; K168-Y206 HydrophobicContact CB-CD1 4.19Å; K168-Y206 HydrophobicContact CB-CD2 3.73Å; K168-Y206 HydrophobicContact CB-CE1 3.92Å; K168-Y206 HydrophobicContact CB-CE2 3.41Å; K168-Y206 VanDerWaalsContact CB-CE2 3.41Å; K168-Y206 HydrophobicContact CB-CG 4.08Å; K168-Y206 VanDerWaalsContact CB-CZ 3.48Å
169	L	93.4	Very high	94.5	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-58.7	-35.1	-177.8	-65.1	172.4	0	0	0	112.3	L128 I132 N171 I172 Y206 L230 T233 L234	L128-L169 HydrophobicContact CD2-CD2 3.92Å; L128-L169 HydrophobicContact CG-CD2 4.06Å; I132-L169 HydrophobicContact CD1-CD1 3.94Å; I132-L169 HydrophobicContact CD1-CD2 3.75Å; I132-L169 HydrophobicContact CD1-CG 4.44Å; L169-N171 VanDerWaalsContact C-N 3.29Å; L169-N171 PolarHBondContact O-N 2.86Å; L169-I172 PolarHBondContact O-N 2.78Å; L169-Y206 PolarHBondContact N-OH 3.07Å; L169-L230 HydrophobicContact CD2-CD1 4.02Å; L169-L230 HydrophobicContact CD2-CD2 4.37Å; L169-L230 HydrophobicContact CD2-CG 3.82Å; L169-L230 HydrophobicContact CG-CG 4.43Å; L169-T233 HydrophobicContact CD1-CG2 3.73Å; L169-L234 HydrophobicContact CD2-CD2 4.26Å
170	E	92.1	Very high	94.7	Very high	43 Å²	43	21.2 Å²	21.2	20%	0.201	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-67.6	-25.3	179.4	-52.6	91.3	134.6	0	0	112.9	Y129 K168 Y206	Y129-E170 HydrophobicContact CD2-CG 4.47Å; Y129-E170 HydrophobicContact CG-CG 4.17Å; K168-E170 WeakPolarHBondContact CB-OE2 3.42Å; K168-E170 HydrophobicContact CD-CB 4.35Å; K168-E170 HydrophobicContact CG-CB 4.09Å; K168-E170 WeakPolarHBondContact CG-OE2 3.44Å; K168-E170 PolarHBondContact O-N 3.5Å; E170-Y206 PolarHBondContact OE2-OH 3.41Å
171	N	93.8	Very high	94.9	Very high	13 Å²	13	21 Å²	21	7%	0.07	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-95	7.8	176.6	-70.6	-5.9	0	0	0	112.6	D166 K168 L169 A183	D166-N171 PolarHBondContact O-ND2 3.23Å; D166-N171 PolarHBondContact OD2-ND2 2.92Å; K168-N171 VanDerWaalsContact CE-OD1 3.23Å; K168-N171 WeakPolarHBondContact CE-OD1 3.21Å; K168-N171 HydrophobicContact CG-CB 3.97Å; K168-N171 PolarHBondContact O-N 2.88Å; K168-N171 VanDerWaalsContact O-N 3.09Å; L169-N171 VanDerWaalsContact C-N 3.29Å; L169-N171 PolarHBondContact O-N 2.86Å; N171-A183 PolarHBondContact O-N 3.39Å
172	I	96.4	Very high	95.1	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	111.6	-178.9	-68.8	160	0	0	0	108.4	D127 L128 I150 K168 L169 V180 I182 L230	D127-I172 CarbonylContact C-O 3.51Å; D127-I172 WeakPolarHBondContact CA-O 3.43Å; L128-I172 HydrophobicContact CB-CB 4.24Å; L128-I172 HydrophobicContact CB-CG2 3.99Å; L128-I172 WeakPolarHBondContact CB-O 3.38Å; L128-I172 HydrophobicContact CD2-CB 4.37Å; L128-I172 HydrophobicContact CD2-CG2 3.74Å; L128-I172 PolarHBondContact N-O 3.3Å; I150-I172 HydrophobicContact CD1-CD1 3.8Å; I150-I172 HydrophobicContact CD1-CG2 4.48Å; I150-I172 HydrophobicContact CG1-CD1 4.09Å; I150-I172 HydrophobicContact CG1-CG2 4.47Å; I150-I172 HydrophobicContact CG2-CD1 4.38Å; K168-I172 WeakPolarHBondContact O-CD1 3.49Å; L169-I172 PolarHBondContact O-N 2.78Å; I172-V180 HydrophobicContact CG2-CG1 3.93Å; I172-V180 HydrophobicContact CG2-CG2 4.35Å; I172-I182 HydrophobicContact CG1-CG1 4.36Å; I172-L230 HydrophobicContact CD1-CD1 3.41Å; I172-L230 VanDerWaalsContact CD1-CD1 3.41Å
173	L	96.8	Very high	94.9	Very high	20 Å²	20	21.4 Å²	21.4	11%	0.105	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	162.8	-178.1	-49.4	-178.4	0	0	0	111.3	I104 A123 G126 D127 V180 K181 A183 M544	I104-L173 HydrophobicContact CD1-CD1 4.29Å; I104-L173 HydrophobicContact CG1-CD1 4.45Å; A123-L173 HydrophobicContact CB-CB 3.41Å; A123-L173 VanDerWaalsContact CB-CB 3.41Å; A123-L173 HydrophobicContact CB-CD1 4.03Å; A123-L173 HydrophobicContact CB-CG 4.37Å; G126-L173 CarbonylContact O-C 3.33Å; G126-L173 WeakPolarHBondContact O-CA 3.27Å; D127-L173 HydrophobicContact CB-CD2 3.78Å; L173-V180 CarbonylContact O-C 3.55Å; L173-K181 HydrophobicContact CB-CB 4.31Å; L173-K181 PolarHBondContact N-O 2.81Å; L173-K181 PolarHBondContact O-N 3.06Å; L173-A183 HydrophobicContact CD1-CB 3.95Å; L173-A183 HydrophobicContact CG-CB 4.04Å; L173-M544 HydrophobicContact CD1-SD 4.39Å
174	L	96.8	Very high	94.4	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.4	177.5	-66.4	179.1	0	0	0	111.5	A123 S124 Q125 G126 L128 Y131 F146 N179 V180	A123-L174 CarbonylContact C-O 3.52Å; A123-L174 WeakPolarHBondContact CB-O 3.35Å; S124-L174 PolarHBondContact N-O 3.46Å; Q125-L174 HydrophobicContact CB-CB 3.75Å; Q125-L174 PolarHBondContact N-O 3.4Å; G126-L174 PolarHBondContact O-N 3.49Å; L128-L174 HydrophobicContact CD1-CD1 4.14Å; L128-L174 HydrophobicContact CD1-CD2 4.41Å; Y131-L174 HydrophobicContact CD1-CD1 4.22Å; Y131-L174 HydrophobicContact CD2-CD1 3.76Å; Y131-L174 HydrophobicContact CE2-CD1 4.39Å; Y131-L174 HydrophobicContact CG-CD1 3.68Å; F146-L174 HydrophobicContact CD1-CD2 4.1Å; F146-L174 HydrophobicContact CE1-CD1 4.44Å; F146-L174 HydrophobicContact CE1-CD2 3.77Å; L174-N179 WeakPolarHBondContact CA-O 3.33Å; L174-V180 HydrophobicContact CD2-CG2 4.5Å
175	D	95.3	Very high	94	Very high	21 Å²	21	23 Å²	23	11%	0.112	14%	0.136	C	C	.	.			trans	-71.3	174	176.5	85.2	2.7	0	0	0	112.4	Q125 N177 G178 N179 K181	Q125-D175 WeakPolarHBondContact CG-O 3.45Å; D175-N177 PolarHBondContact O-N 3.26Å; D175-N177 WeakPolarHBondContact OD1-CA 3.4Å; D175-N177 WeakPolarHBondContact OD1-CB 3.45Å; D175-N177 PolarHBondContact OD1-N 3Å; D175-G178 PolarHBondContact O-N 3.49Å; D175-G178 PolarHBondContact OD1-N 2.91Å; D175-N179 PolarHBondContact N-O 2.87Å; D175-N179 PolarHBondContact OD1-N 2.89Å; D175-N179 PolarHBondContact OD1-ND2 2.96Å; D175-N179 PolarHBondContact OD2-ND2 3.35Å; D175-K181 HydrophobicContact CB-CG 4.18Å
176	G	93.3	Very high	93.4	Very high	43 Å²	43	23.1 Å²	23.1	44%	0.443	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-21.1	-178.7	0	0	0	0	0	115.3	S124	S124-G176 VanDerWaalsContact OG-CA 3.23Å; S124-G176 WeakPolarHBondContact OG-CA 3.32Å; S124-G176 PolarHBondContact OG-N 3.13Å
177	N	94.4	Very high	92.9	Very high	144 Å²	144	23.9 Å²	23.9	77%	0.77	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-3	176.8	-49.5	-60.6	0	0	0	112.6	D175	D175-N177 PolarHBondContact O-N 3.26Å; D175-N177 WeakPolarHBondContact OD1-CA 3.4Å; D175-N177 WeakPolarHBondContact OD1-CB 3.45Å; D175-N177 PolarHBondContact OD1-N 3Å
178	G	93.7	Very high	92.5	Very high	25 Å²	25	24.1 Å²	24.1	26%	0.258	15%	0.15	S	C	.	.	S	Bend	trans	87.4	15.2	-176.6	0	0	0	0	0	115.1	D175	D175-G178 PolarHBondContact O-N 3.49Å; D175-G178 PolarHBondContact OD1-N 2.91Å
179	N	96.9	Very high	92.3	Very high	45 Å²	45	24.2 Å²	24.2	24%	0.241	15%	0.151	C	C	.	.			trans	-81.8	145.7	175.2	-55.2	-70.8	0	0	0	112.2	Q149 L174 D175	Q149-N179 PolarHBondContact NE2-OD1 3.33Å; L174-N179 WeakPolarHBondContact CA-O 3.33Å; D175-N179 PolarHBondContact N-O 2.87Å; D175-N179 PolarHBondContact OD1-N 2.89Å; D175-N179 PolarHBondContact OD1-ND2 2.96Å; D175-N179 PolarHBondContact OD2-ND2 3.35Å
180	V	97.9	Very high	92.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	136.9	169.9	166.9	0	0	0	0	111.6	H102 F146 Q149 I150 I172 L173 L174 I182	H102-V180 VanDerWaalsContact CA-O 3.26Å; H102-V180 WeakPolarHBondContact CA-O 3.17Å; H102-V180 HydrophobicContact CB-CG1 4.21Å; H102-V180 WeakPolarHBondContact CB-O 3.42Å; H102-V180 PolarHBondContact ND1-O 2.9Å; F146-V180 HydrophobicContact CB-CG2 4.2Å; F146-V180 HydrophobicContact CD1-CG2 4Å; Q149-V180 HydrophobicContact CB-CB 3.74Å; Q149-V180 HydrophobicContact CB-CG1 4.33Å; Q149-V180 HydrophobicContact CB-CG2 3.87Å; I150-V180 HydrophobicContact CD1-CG2 4.49Å; I150-V180 HydrophobicContact CG1-CB 4.46Å; I150-V180 HydrophobicContact CG1-CG1 3.66Å; I150-V180 HydrophobicContact CG1-CG2 3.98Å; I172-V180 HydrophobicContact CG2-CG1 3.93Å; I172-V180 HydrophobicContact CG2-CG2 4.35Å; L173-V180 CarbonylContact O-C 3.55Å; L174-V180 HydrophobicContact CD2-CG2 4.5Å; V180-I182 HydrophobicContact CG1-CG1 4.24Å
181	K	97.8	Very high	92	Very high	15 Å²	15	25.3 Å²	25.3	7%	0.065	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	102.5	168.9	-66.3	-66.7	-171.6	165.2	0	109.4	P101 I104 E121 A123 L173 D175 A183	P101-K181 WeakPolarHBondContact O-CD 3.37Å; P101-K181 VanDerWaalsContact O-CE 3.32Å; P101-K181 WeakPolarHBondContact O-CE 3.38Å; P101-K181 PolarHBondContact O-NZ 3.46Å; I104-K181 HydrophobicContact CD1-CB 3.67Å; I104-K181 HydrophobicContact CD1-CG 4.19Å; I104-K181 HydrophobicContact CG1-CB 4.03Å; E121-K181 VanDerWaalsContact OE1-CE 3.26Å; E121-K181 WeakPolarHBondContact OE1-CE 3.41Å; E121-K181 IonicContact OE1-NZ 3.09Å; E121-K181 PolarHBondContact OE1-NZ 2.65Å; E121-K181 WeakPolarHBondContact OE2-CE 3.22Å; E121-K181 IonicContact OE2-NZ 2.68Å; E121-K181 PolarHBondContact OE2-NZ 2.9Å; A123-K181 HydrophobicContact CB-CB 4.46Å; A123-K181 HydrophobicContact CB-CG 4.46Å; L173-K181 HydrophobicContact CB-CB 4.31Å; L173-K181 PolarHBondContact N-O 2.81Å; L173-K181 PolarHBondContact O-N 3.06Å; D175-K181 HydrophobicContact CB-CG 4.18Å; K181-A183 PolarHBondContact O-N 3.46Å
182	I	96.9	Very high	91.5	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.015	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	133.1	174.7	-56.3	-170.3	0	0	0	109.7	H102 I104 I150 A153 V154 L167 I172 V180 F185	H102-I182 PolarHBondContact O-N 3.29Å; I104-I182 PolarHBondContact N-O 2.95Å; I150-I182 HydrophobicContact CG2-CD1 4.17Å; A153-I182 HydrophobicContact CB-CD1 3.55Å; A153-I182 HydrophobicContact CB-CG1 4.1Å; V154-I182 HydrophobicContact CG2-CD1 3.93Å; L167-I182 HydrophobicContact CD2-CD1 4.24Å; L167-I182 HydrophobicContact CD2-CG2 4.4Å; I172-I182 HydrophobicContact CG1-CG1 4.36Å; V180-I182 HydrophobicContact CG1-CG1 4.24Å; I182-F185 HydrophobicContact CG2-CE2 4.19Å; I182-F185 HydrophobicContact CG2-CZ 4.31Å
183	A	91.3	Very high	90.7	Very high	15 Å²	15	37.1 Å²	37.1	12%	0.124	20%	0.203	C	C	.	.			trans	-129.7	176.3	-178.4	0	0	0	0	0	111.7	I104 H164 N171 L173 K181	I104-A183 HydrophobicContact CG1-CB 3.92Å; H164-A183 PolarHBondContact NE2-O 3.37Å; N171-A183 PolarHBondContact O-N 3.39Å; L173-A183 HydrophobicContact CD1-CB 3.95Å; L173-A183 HydrophobicContact CG-CB 4.04Å; K181-A183 PolarHBondContact O-N 3.46Å
184	D	83.7	Confident	90.1	Very high	37 Å²	37	42.5 Å²	42.5	20%	0.198	23%	0.232	C	C	.	.			trans	52.1	74.1	-180	-152.3	-16.6	0	0	0	116	H164 G186 S547	H164-D184 PolarHBondContact CE1-O 2.87Å; D184-G186 PolarHBondContact O-N 3.37Å; D184-G186 PolarHBondContact OD1-N 2.92Å; D184-S547 WeakPolarHBondContact OD2-CB 3.14Å; D184-S547 PolarHBondContact OD2-OG 2.92Å
185	F	87.8	Confident	89.7	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.009	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-79.7	14.8	171	-72.4	-107.5	0	0	0	112.7	E91 I94 M95 L98 I103 H164 I182 L187 S188	E91-F185 HydrophobicContact CG-CB 4.29Å; I94-F185 HydrophobicContact CG2-CD1 3.76Å; I94-F185 HydrophobicContact CG2-CE1 4.46Å; I94-F185 HydrophobicContact CG2-CG 4.43Å; M95-F185 HydrophobicContact CE-CD2 4.11Å; M95-F185 HydrophobicContact CG-CB 3.69Å; M95-F185 HydrophobicContact CG-CD2 3.67Å; M95-F185 HydrophobicContact CG-CE2 4.49Å; M95-F185 HydrophobicContact CG-CG 3.71Å; M95-F185 HydrophobicContact SD-CB 4Å; M95-F185 HydrophobicContact SD-CD2 3.87Å; M95-F185 HydrophobicContact SD-CG 4.25Å; L98-F185 HydrophobicContact CD1-CD1 3.96Å; L98-F185 HydrophobicContact CD1-CE1 3.37Å; L98-F185 HydrophobicContact CD1-CZ 3.75Å; I103-F185 HydrophobicContact CD1-CZ 4.34Å; I103-F185 HydrophobicContact CG2-CE2 3.78Å; I103-F185 HydrophobicContact CG2-CZ 3.78Å; H164-F185 AromaticContact CD2-CD1 3.87Å; H164-F185 AromaticContact CD2-CE1 3.71Å; H164-F185 AromaticContact CD2-CZ 3.88Å; I182-F185 HydrophobicContact CG2-CE2 4.19Å; I182-F185 HydrophobicContact CG2-CZ 4.31Å; F185-L187 PolarHBondContact O-N 3.17Å; F185-S188 WeakPolarHBondContact CA-OG 3.35Å; F185-S188 WeakPolarHBondContact CB-OG 3.36Å; F185-S188 VanDerWaalsContact CD1-OG 3.24Å; F185-S188 WeakPolarHBondContact CD1-OG 3.43Å; F185-S188 WeakPolarHBondContact O-CB 3.44Å; F185-S188 PolarHBondContact O-N 3.5Å; F185-S188 PolarHBondContact O-OG 2.9Å
186	G	81.9	Confident	89.4	Confident	25 Å²	25	52.5 Å²	52.5	26%	0.258	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-60.4	-30.3	-175.4	0	0	0	0	0	114	D184	D184-G186 PolarHBondContact O-N 3.37Å; D184-G186 PolarHBondContact OD1-N 2.92Å
187	L	81.4	Confident	89.2	Confident	24 Å²	24	51.4 Å²	51.4	13%	0.126	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-97.1	2.4	173.8	-66.8	178.6	0	0	0	113.9	H164 R165 D166 F185 C201	H164-L187 CarbonylContact O-C 3.56Å; R165-L187 PolarHBondContact NE-O 3.43Å; R165-L187 PolarHBondContact NH2-O 2.83Å; D166-L187 HydrophobicContact CB-CB 4.27Å; D166-L187 HydrophobicContact CB-CD1 3.89Å; F185-L187 PolarHBondContact O-N 3.17Å; L187-C201 HydrophobicContact CD1-CB 4.43Å; L187-C201 HydrophobicContact CD2-CB 4.24Å
188	S	87.3	Confident	88.8	Confident	6 Å²	6	50.6 Å²	50.6	4%	0.042	25%	0.249	C	C	.	.			trans	-68.9	158.9	179.3	-64.1	0	0	0	0	112.9	V163 H164 F185	V163-S188 CarbonylContact O-C 3.4Å; V163-S188 WeakPolarHBondContact O-CA 3.39Å; V163-S188 WeakPolarHBondContact O-CB 3.43Å; H164-S188 WeakPolarHBondContact CA-OG 3.44Å; H164-S188 WeakPolarHBondContact O-CA 3.39Å; H164-S188 PolarHBondContact O-N 3.47Å; H164-S188 PolarHBondContact O-OG 3.02Å; F185-S188 WeakPolarHBondContact CA-OG 3.35Å; F185-S188 WeakPolarHBondContact CB-OG 3.36Å; F185-S188 VanDerWaalsContact CD1-OG 3.24Å; F185-S188 WeakPolarHBondContact CD1-OG 3.43Å; F185-S188 WeakPolarHBondContact O-CB 3.44Å; F185-S188 PolarHBondContact O-N 3.5Å; F185-S188 PolarHBondContact O-OG 2.9Å
189	N	88.9	Confident	88.3	Confident	23 Å²	23	51.7 Å²	51.7	12%	0.123	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	163.2	173.9	-158	24.6	0	0	0	112.5	R90 I162 V163 L197	R90-N189 PolarHBondContact NH1-OD1 2.84Å; I162-N189 WeakPolarHBondContact CA-O 3.37Å; V163-N189 PolarHBondContact N-O 3.08Å; V163-N189 PolarHBondContact O-N 2.65Å; N189-L197 VanDerWaalsContact ND2-CD2 3.34Å; N189-L197 WeakPolarHBondContact ND2-CD2 3.48Å
190	L	89.6	Confident	87.7	Confident	32 Å²	32	49.8 Å²	49.8	17%	0.168	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	144.4	164.3	-53	-173.8	0	0	0	109.6	I94 G161 I162 A330 L333 R334	I94-L190 HydrophobicContact CD1-CD2 4.37Å; I94-L190 HydrophobicContact CG1-CD2 4.29Å; G161-L190 WeakPolarHBondContact O-CA 3.39Å; I162-L190 HydrophobicContact CG1-CD2 3.62Å; L190-A330 HydrophobicContact CD1-CB 4.23Å; L190-A330 HydrophobicContact CD2-CB 3.93Å; L190-A330 HydrophobicContact CG-CB 4.44Å; L190-L333 HydrophobicContact CD1-CB 4.1Å; L190-L333 HydrophobicContact CD1-CD1 4.41Å; L190-L333 HydrophobicContact CD2-CD1 3.88Å; L190-R334 HydrophobicContact CD1-CG 4.07Å
191	Y	89.8	Confident	87.1	Confident	37 Å²	37	50 Å²	50	15%	0.145	24%	0.241	C	C	.	.			trans	-125.9	167.7	172.9	80.7	-77.4	0	0	0	111.9	H158 G161 V163 R218 P220	H158-Y191 PolarHBondContact O-OH 3.36Å; H158-Y191 VanDerWaalsContact O-OH 3.09Å; G161-Y191 VanDerWaalsContact C-CE1 3.48Å; G161-Y191 WeakPolarHBondContact O-CD1 3.23Å; G161-Y191 PolarHBondContact O-N 3.27Å; V163-Y191 HydrophobicContact CB-CD1 4.47Å; V163-Y191 HydrophobicContact CG1-CD1 3.56Å; V163-Y191 HydrophobicContact CG1-CE1 3.84Å; V163-Y191 HydrophobicContact CG1-CG 4.08Å; V163-Y191 HydrophobicContact CG2-CD1 4.38Å; Y191-R218 WeakPolarHBondContact CB-O 3.49Å; Y191-P220 HydrophobicContact CD2-CG 4.03Å; Y191-P220 HydrophobicContact CE1-CG 4.12Å; Y191-P220 HydrophobicContact CE2-CG 3.36Å; Y191-P220 VanDerWaalsContact CZ-CG 3.41Å; Y191-P220 WeakPolarHBondContact OH-CG 3.4Å
192	H	84.4	Confident	86.5	Confident	77 Å²	77	49.6 Å²	49.6	36%	0.356	24%	0.242	S	C	.	.			trans	-139.1	155.9	172.3	-153.1	38.5	0	0	0	109.9	D194 E195	H192-D194 PolarHBondContact O-N 3.41Å; H192-E195 HydrophobicContact CB-CB 4.06Å; H192-E195 HydrophobicContact CB-CG 4.03Å; H192-E195 WeakPolarHBondContact CB-OE2 3.48Å
193	R	78.9	Confident	86.1	Confident	185 Å²	185	50.3 Å²	50.3	70%	0.698	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-25.6	-176.7	-73.1	-174.8	172.4	-173.3	-4.9	112.6	R218	R193-R218 PolarHBondContact O-NH1 2.93Å
194	D	83.6	Confident	85.9	Confident	133 Å²	133	51.2 Å²	51.2	71%	0.711	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	0.3	-174.9	-49.3	-62	0	0	0	113.7	H192	H192-D194 PolarHBondContact O-N 3.41Å
195	E	88.7	Confident	86.3	Confident	110 Å²	110	50.6 Å²	50.6	51%	0.514	25%	0.248	S	C	.	.			trans	-115.5	145.2	-178.3	-63.1	178	150.6	0	0	110.6	H192	H192-E195 HydrophobicContact CB-CB 4.06Å; H192-E195 HydrophobicContact CB-CG 4.03Å; H192-E195 WeakPolarHBondContact CB-OE2 3.48Å
196	Y	89.8	Confident	86.6	Confident	121 Å²	121	50.7 Å²	50.7	48%	0.475	25%	0.249	S	C	.	.			trans	-106.5	128.9	175.2	-70	-90.8	0	0	0	111.4	P216 Y217 R218	Y196-P216 HydrophobicContact CD1-CB 4.19Å; Y196-P216 HydrophobicContact CG-CB 4.23Å; Y196-Y217 CarbonylContact C-O 3.57Å; Y196-Y217 WeakPolarHBondContact CA-O 3.28Å; Y196-R218 HydrophobicContact CD1-CG 4.24Å; Y196-R218 HydrophobicContact CE1-CG 3.95Å; Y196-R218 PolarHBondContact OH-NH2 3.32Å
197	L	88.5	Confident	87.2	Confident	21 Å²	21	49.8 Å²	49.8	11%	0.11	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-71.9	139.6	166	-62.3	177.8	0	0	0	110	V163 N189 P216 Y217	V163-L197 HydrophobicContact CG2-CD1 3.85Å; N189-L197 VanDerWaalsContact ND2-CD2 3.34Å; N189-L197 WeakPolarHBondContact ND2-CD2 3.48Å; L197-P216 WeakPolarHBondContact O-CA 3.12Å; L197-Y217 HydrophobicContact CB-CD1 4.38Å; L197-Y217 HydrophobicContact CB-CD2 4Å; L197-Y217 HydrophobicContact CB-CE1 3.95Å; L197-Y217 HydrophobicContact CB-CE2 3.54Å; L197-Y217 HydrophobicContact CB-CG 4.39Å; L197-Y217 VanDerWaalsContact CB-CZ 3.5Å; L197-Y217 HydrophobicContact CD1-CD2 4.3Å; L197-Y217 HydrophobicContact CD1-CE2 3.6Å; L197-Y217 HydrophobicContact CG-CE2 4.19Å; L197-Y217 PolarHBondContact N-O 2.94Å; L197-Y217 WeakPolarHBondContact O-CD1 3.29Å; L197-Y217 PolarHBondContact O-N 3.18Å; L197-Y217 VanDerWaalsContact O-N 3.07Å
198	Q	85.4	Confident	87.9	Confident	126 Å²	126	48.7 Å²	48.7	59%	0.589	23%	0.233	S	C	*	.			trans	-125	-2.6	-177.1	-57.8	-173.1	22.6	0	0	113.6	F200 P216 T591	Q198-F200 VanDerWaalsContact O-CE2 3.3Å; Q198-F200 WeakPolarHBondContact O-CE2 3.45Å; Q198-F200 VanDerWaalsContact O-CZ 3.23Å; Q198-F200 WeakPolarHBondContact O-CZ 3.22Å; Q198-F200 PolarHBondContact O-N 2.99Å; Q198-P216 HydrophobicContact CG-CB 4.21Å; Q198-P216 HydrophobicContact CG-CG 4.28Å; Q198-T591 WeakPolarHBondContact O-CG2 3.39Å
199	T	83.8	Confident	88.4	Confident	49 Å²	49	48.8 Å²	48.8	30%	0.301	23%	0.233	S	C	.	.			trans	-79.7	117.3	174.2	-38.5	0	0	0	0	109.5	Y217 V590	T199-Y217 WeakPolarHBondContact O-CE1 3.4Å; T199-Y217 PolarHBondContact O-OH 3.16Å; T199-V590 HydrophobicContact CG2-CB 4.02Å; T199-V590 HydrophobicContact CG2-CG1 4.27Å
200	F	85.3	Confident	88.7	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.018	23%	0.23	C	C	.	.			trans	-93.5	104.4	177.8	-49.2	-54.2	0	0	0	109.2	Q198 I211 G214 R215 Y217 V590 T591 Y594	Q198-F200 VanDerWaalsContact O-CE2 3.3Å; Q198-F200 WeakPolarHBondContact O-CE2 3.45Å; Q198-F200 VanDerWaalsContact O-CZ 3.23Å; Q198-F200 WeakPolarHBondContact O-CZ 3.22Å; Q198-F200 PolarHBondContact O-N 2.99Å; F200-I211 HydrophobicContact CB-CG2 4.33Å; F200-I211 HydrophobicContact CD1-CD1 4.21Å; F200-G214 WeakPolarHBondContact CE2-O 3.21Å; F200-G214 WeakPolarHBondContact CZ-O 3.47Å; F200-R215 VanDerWaalsContact CE1-O 3.26Å; F200-R215 WeakPolarHBondContact CE1-O 3.46Å; F200-Y217 HydrophobicContact CD1-CD1 4.38Å; F200-Y217 HydrophobicContact CD1-CE1 4.06Å; F200-Y217 HydrophobicContact CE1-CD1 4.16Å; F200-Y217 HydrophobicContact CE1-CE1 4.13Å; F200-V590 WeakPolarHBondContact O-CG1 3.47Å; F200-T591 HydrophobicContact CD2-CG2 3.47Å; F200-T591 VanDerWaalsContact CD2-CG2 3.47Å; F200-T591 HydrophobicContact CE2-CG2 3.57Å; F200-Y594 HydrophobicContact CB-CD1 3.77Å; F200-Y594 HydrophobicContact CB-CE1 4.24Å; F200-Y594 HydrophobicContact CB-CG 3.95Å
201	C	85	Confident	88.8	Confident	4 Å²	4	46.9 Å²	46.9	3%	0.027	22%	0.223	C	C	.	.			trans	-140.3	178.3	-172.4	62.5	0	0	0	0	110.9	R165 L187 V590	R165-C201 VanDerWaalsContact CZ-SG 3.6Å; L187-C201 HydrophobicContact CD1-CB 4.43Å; L187-C201 HydrophobicContact CD2-CB 4.24Å; C201-V590 HydrophobicContact CB-CG1 3.69Å
202	G	85.7	Confident	88.9	Confident	7 Å²	7	45.6 Å²	45.6	7%	0.072	22%	0.219	C	C	.	.	S	Bend	trans	94.8	162	-178.1	0	0	0	0	0	113.4	R165 D166	R165-G202 WeakPolarHBondContact O-CA 3.44Å; D166-G202 WeakPolarHBondContact OD1-CA 3.37Å
203	S	87.1	Confident	89.2	Confident	18 Å²	18	45.1 Å²	45.1	13%	0.126	22%	0.219	C	C	.	.			trans	-70.1	126.8	-171.4	-57.8	0	0	0	0	111.8	D166 K168 L205 Y206 A207	D166-S203 WeakPolarHBondContact OD1-CB 3.49Å; D166-S203 PolarHBondContact OD1-N 3.5Å; D166-S203 PolarHBondContact OD1-OG 3Å; K168-S203 VanDerWaalsContact CD-OG 3.23Å; K168-S203 WeakPolarHBondContact CD-OG 3.43Å; K168-S203 PolarHBondContact NZ-OG 3.44Å; S203-L205 VanDerWaalsContact C-N 3.31Å; S203-L205 PolarHBondContact O-N 2.81Å; S203-Y206 PolarHBondContact O-N 3.48Å; S203-A207 PolarHBondContact O-N 3.19Å
204	P	87.7	Confident	89.7	Confident	34 Å²	34	37.4 Å²	37.4	22%	0.221	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.9	-165.9	-31.2	35.9	0	0	0	117.5	Y206 L249 F582	P204-Y206 VanDerWaalsContact C-N 3.31Å; P204-L249 HydrophobicContact CB-CD2 4.33Å; P204-F582 HydrophobicContact CG-CB 4.26Å
205	L	91.2	Very high	90.1	Very high	24 Å²	24	38.1 Å²	38.1	13%	0.126	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-20.9	177.6	-71.7	172	0	0	0	113.8	S203 M239 L249 V577	S203-L205 VanDerWaalsContact C-N 3.31Å; S203-L205 PolarHBondContact O-N 2.81Å; L205-M239 HydrophobicContact CB-CE 3.73Å; L205-M239 HydrophobicContact CD1-CE 4.16Å; L205-M239 HydrophobicContact CG-CE 4.47Å; L205-L249 HydrophobicContact CD2-CD1 3.91Å; L205-L249 HydrophobicContact CD2-CD2 4.05Å; L205-V577 HydrophobicContact CD1-CG1 4.18Å
206	Y	95.5	Very high	90.3	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.02	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-1.6	178.8	-61.4	-94.9	0	0	0	112.5	L167 K168 L169 E170 S203 P204 S226 V229 L230 M239 Y573	L167-Y206 WeakPolarHBondContact O-CD1 3.2Å; K168-Y206 HydrophobicContact CB-CD1 4.19Å; K168-Y206 HydrophobicContact CB-CD2 3.73Å; K168-Y206 HydrophobicContact CB-CE1 3.92Å; K168-Y206 HydrophobicContact CB-CE2 3.41Å; K168-Y206 VanDerWaalsContact CB-CE2 3.41Å; K168-Y206 HydrophobicContact CB-CG 4.08Å; K168-Y206 VanDerWaalsContact CB-CZ 3.48Å; L169-Y206 PolarHBondContact N-OH 3.07Å; E170-Y206 PolarHBondContact OE2-OH 3.41Å; S203-Y206 PolarHBondContact O-N 3.48Å; P204-Y206 VanDerWaalsContact C-N 3.31Å; Y206-S226 PolarHBondContact O-OG 3.44Å; Y206-V229 HydrophobicContact CD1-CB 3.97Å; Y206-V229 HydrophobicContact CD1-CG1 3.52Å; Y206-V229 HydrophobicContact CE1-CG1 3.87Å; Y206-V229 HydrophobicContact CG-CG1 4.16Å; Y206-L230 HydrophobicContact CE1-CB 4.45Å; Y206-M239 HydrophobicContact CD2-CE 4.5Å; Y206-M239 HydrophobicContact CE1-CE 4.33Å; Y206-M239 HydrophobicContact CE2-CE 4.07Å; Y206-Y573 PolarHBondContact OH-OH 3.11Å
207	A	94.3	Very high	90.5	Very high	6 Å²	6	30.5 Å²	30.5	5%	0.05	16%	0.164	C	C	.	.			trans	-73.5	143.4	-179.3	0	0	0	0	0	111.9	S203 I211 V212 W225	S203-A207 PolarHBondContact O-N 3.19Å; A207-I211 HydrophobicContact CB-CB 4.39Å; A207-I211 HydrophobicContact CB-CG2 4.03Å; A207-V212 HydrophobicContact CB-CG1 4.02Å; A207-W225 PolarHBondContact O-NE1 3.09Å
208	S	96.6	Very high	90.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.007	17%	0.173	C	C	.	.			trans	-88.1	166.2	-176.5	72.4	0	0	0	0	113.5	E210 I211 V212 W225	S208-E210 VanDerWaalsContact C-N 3.33Å; S208-E210 WeakPolarHBondContact CB-OE1 3.47Å; S208-E210 PolarHBondContact O-N 3.05Å; S208-E210 PolarHBondContact OG-OE1 2.96Å; S208-I211 PolarHBondContact O-N 3.3Å; S208-I211 WeakPolarHBondContact OG-CG1 3.39Å; S208-V212 PolarHBondContact O-N 3.13Å; S208-W225 VanDerWaalsContact CA-CD1 3.45Å
209	P	96.6	Very high	91.1	Very high	7 Å²	7	27.1 Å²	27.1	5%	0.045	15%	0.145	C	C	.	.	H	α-helix	trans	-55.5	-43.2	-178.7	-29	38.6	0	0	0	113.6	V212 N213 W225 I253 V277	P209-V212 WeakPolarHBondContact O-CG2 3.42Å; P209-N213 VanDerWaalsContact O-CB 3.28Å; P209-N213 WeakPolarHBondContact O-CB 3.33Å; P209-N213 PolarHBondContact O-N 3.37Å; P209-N213 PolarHBondContact O-ND2 3.48Å; P209-W225 HydrophobicContact CG-CD2 4.47Å; P209-W225 HydrophobicContact CG-CE3 4.04Å; P209-W225 HydrophobicContact CG-CH2 3.53Å; P209-W225 HydrophobicContact CG-CZ2 4Å; P209-W225 HydrophobicContact CG-CZ3 3.55Å; P209-I253 HydrophobicContact CB-CG2 4.46Å; P209-I253 HydrophobicContact CG-CG2 4.04Å; P209-V277 HydrophobicContact CB-CG1 4Å; P209-V277 HydrophobicContact CG-CB 4.42Å; P209-V277 HydrophobicContact CG-CG1 4.09Å; P209-V277 HydrophobicContact CG-CG2 4.44Å
210	E	95.1	Very high	91.7	Very high	12 Å²	12	26.1 Å²	26.1	6%	0.056	14%	0.139	C	C	.	.	H	α-helix	trans	-66.3	-35.7	175.6	56.7	-73.2	165.8	0	0	113	S208 G214 R215 V222 R282	S208-E210 VanDerWaalsContact C-N 3.33Å; S208-E210 WeakPolarHBondContact CB-OE1 3.47Å; S208-E210 PolarHBondContact O-N 3.05Å; S208-E210 PolarHBondContact OG-OE1 2.96Å; E210-G214 PolarHBondContact O-N 3.09Å; E210-G214 VanDerWaalsContact O-N 3.14Å; E210-R215 HydrophobicContact CB-CB 4.08Å; E210-R215 PolarHBondContact O-N 3Å; E210-V222 HydrophobicContact CG-CG1 4.26Å; E210-R282 IonicContact OE1-CZ 3.68Å; E210-R282 IonicContact OE1-NH1 3.27Å; E210-R282 PolarHBondContact OE1-NH1 3.27Å; E210-R282 IonicContact OE1-NH2 2.64Å; E210-R282 PolarHBondContact OE1-NH2 3.39Å; E210-R282 IonicContact OE2-CZ 3.62Å; E210-R282 IonicContact OE2-NH1 2.99Å; E210-R282 IonicContact OE2-NH2 3.22Å; E210-R282 PolarHBondContact OE2-NH2 2.96Å
211	I	93	Very high	92.3	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-65.8	-53	172.6	-61.3	-67.3	0	0	0	110.7	F200 A207 S208 N213 G214 Y217 V222 Y594	F200-I211 HydrophobicContact CB-CG2 4.33Å; F200-I211 HydrophobicContact CD1-CD1 4.21Å; A207-I211 HydrophobicContact CB-CB 4.39Å; A207-I211 HydrophobicContact CB-CG2 4.03Å; S208-I211 PolarHBondContact O-N 3.3Å; S208-I211 WeakPolarHBondContact OG-CG1 3.39Å; I211-N213 PolarHBondContact O-N 2.88Å; I211-G214 PolarHBondContact O-N 3.36Å; I211-Y217 HydrophobicContact CD1-CD1 3.65Å; I211-Y217 HydrophobicContact CD1-CD2 4.49Å; I211-Y217 HydrophobicContact CD1-CE1 3.34Å; I211-Y217 HydrophobicContact CD1-CE2 4.23Å; I211-Y217 HydrophobicContact CD1-CG 4.23Å; I211-V222 HydrophobicContact CD1-CG1 4.29Å; I211-V222 HydrophobicContact CG1-CB 4.34Å; I211-V222 HydrophobicContact CG1-CG1 4.16Å; I211-Y594 HydrophobicContact CG2-CE1 4.38Å; I211-Y594 HydrophobicContact CG2-CE2 4.31Å; I211-Y594 WeakPolarHBondContact O-CE1 3.49Å
212	V	91.4	Very high	92.9	Very high	9 Å²	9	27.3 Å²	27.3	6%	0.055	15%	0.145	C	C	.	.	H	α-helix	trans	-64.6	-27.2	-178.7	-55.1	0	0	0	0	113.2	A207 S208 P209 V250 I253 Y594 M598	A207-V212 HydrophobicContact CB-CG1 4.02Å; S208-V212 PolarHBondContact O-N 3.13Å; P209-V212 WeakPolarHBondContact O-CG2 3.42Å; V212-V250 HydrophobicContact CB-CG1 4.32Å; V212-V250 HydrophobicContact CB-CG2 4.37Å; V212-V250 HydrophobicContact CG2-CG1 4.26Å; V212-I253 HydrophobicContact CG1-CD1 4.02Å; V212-I253 HydrophobicContact CG1-CG2 4Å; V212-I253 HydrophobicContact CG2-CB 4.27Å; V212-I253 HydrophobicContact CG2-CG2 3.62Å; V212-Y594 WeakPolarHBondContact CA-OH 3.15Å; V212-Y594 WeakPolarHBondContact CG1-OH 3.22Å; V212-M598 HydrophobicContact CB-CE 4.12Å; V212-M598 WeakPolarHBondContact O-CE 2.99Å
213	N	89.9	Confident	93.5	Very high	67 Å²	67	27 Å²	27	36%	0.358	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	3.8	174.5	-73.2	-91.8	0	0	0	113.7	P209 I211 R215 S254	P209-N213 VanDerWaalsContact O-CB 3.28Å; P209-N213 WeakPolarHBondContact O-CB 3.33Å; P209-N213 PolarHBondContact O-N 3.37Å; P209-N213 PolarHBondContact O-ND2 3.48Å; I211-N213 PolarHBondContact O-N 2.88Å; N213-R215 VanDerWaalsContact C-N 3.32Å; N213-R215 HydrophobicContact CB-CG 3.94Å; N213-R215 PolarHBondContact O-N 3.39Å; N213-S254 PolarHBondContact ND2-OG 3.02Å
214	G	89.5	Confident	94	Very high	23 Å²	23	26.2 Å²	26.2	24%	0.237	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	36.6	179.1	0	0	0	0	0	114.3	F200 E210 I211	F200-G214 WeakPolarHBondContact CE2-O 3.21Å; F200-G214 WeakPolarHBondContact CZ-O 3.47Å; E210-G214 PolarHBondContact O-N 3.09Å; E210-G214 VanDerWaalsContact O-N 3.14Å; I211-G214 PolarHBondContact O-N 3.36Å
215	R	91.8	Very high	94.6	Very high	149 Å²	149	24.6 Å²	24.6	56%	0.562	13%	0.125	S	C	*	.			trans	-99.4	136.4	-178	-59.3	-178.8	-174	178.4	5.3	110.6	F200 E210 N213	F200-R215 VanDerWaalsContact CE1-O 3.26Å; F200-R215 WeakPolarHBondContact CE1-O 3.46Å; E210-R215 HydrophobicContact CB-CB 4.08Å; E210-R215 PolarHBondContact O-N 3Å; N213-R215 VanDerWaalsContact C-N 3.32Å; N213-R215 HydrophobicContact CB-CG 3.94Å; N213-R215 PolarHBondContact O-N 3.39Å
216	P	92.6	Very high	94.9	Very high	69 Å²	69	23.7 Å²	23.7	45%	0.448	12%	0.121	S	C	.	.			trans	-55.5	142.3	174.2	-23.8	33.8	0	0	0	112.4	Y196 L197 Q198	Y196-P216 HydrophobicContact CD1-CB 4.19Å; Y196-P216 HydrophobicContact CG-CB 4.23Å; L197-P216 WeakPolarHBondContact O-CA 3.12Å; Q198-P216 HydrophobicContact CG-CB 4.21Å; Q198-P216 HydrophobicContact CG-CG 4.28Å
217	Y	94.2	Very high	95.1	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-138.4	158.9	-172.5	62.2	-84.5	0	0	0	110.4	R165 Y196 L197 T199 F200 I211 V222	R165-Y217 VanDerWaalsContact CD-OH 3.32Å; R165-Y217 WeakPolarHBondContact CD-OH 3.35Å; R165-Y217 PolarHBondContact NH1-OH 3.14Å; Y196-Y217 CarbonylContact C-O 3.57Å; Y196-Y217 WeakPolarHBondContact CA-O 3.28Å; L197-Y217 HydrophobicContact CB-CD1 4.38Å; L197-Y217 HydrophobicContact CB-CD2 4Å; L197-Y217 HydrophobicContact CB-CE1 3.95Å; L197-Y217 HydrophobicContact CB-CE2 3.54Å; L197-Y217 HydrophobicContact CB-CG 4.39Å; L197-Y217 VanDerWaalsContact CB-CZ 3.5Å; L197-Y217 HydrophobicContact CD1-CD2 4.3Å; L197-Y217 HydrophobicContact CD1-CE2 3.6Å; L197-Y217 HydrophobicContact CG-CE2 4.19Å; L197-Y217 PolarHBondContact N-O 2.94Å; L197-Y217 WeakPolarHBondContact O-CD1 3.29Å; L197-Y217 PolarHBondContact O-N 3.18Å; L197-Y217 VanDerWaalsContact O-N 3.07Å; T199-Y217 WeakPolarHBondContact O-CE1 3.4Å; T199-Y217 PolarHBondContact O-OH 3.16Å; F200-Y217 HydrophobicContact CD1-CD1 4.38Å; F200-Y217 HydrophobicContact CD1-CE1 4.06Å; F200-Y217 HydrophobicContact CE1-CD1 4.16Å; F200-Y217 HydrophobicContact CE1-CE1 4.13Å; I211-Y217 HydrophobicContact CD1-CD1 3.65Å; I211-Y217 HydrophobicContact CD1-CD2 4.49Å; I211-Y217 HydrophobicContact CD1-CE1 3.34Å; I211-Y217 HydrophobicContact CD1-CE2 4.23Å; I211-Y217 HydrophobicContact CD1-CG 4.23Å; Y217-V222 HydrophobicContact CD2-CG1 3.4Å; Y217-V222 HydrophobicContact CD2-CG2 4.36Å; Y217-V222 HydrophobicContact CE2-CG1 4.01Å; Y217-V222 HydrophobicContact CE2-CG2 4.2Å; Y217-V222 HydrophobicContact CG-CG1 3.8Å
218	R	93.3	Very high	95.3	Very high	77 Å²	77	23.2 Å²	23.2	29%	0.291	12%	0.118	S	C	.	.			trans	-82.7	-44	-178.4	-59.3	179.4	-177.2	-83.9	7.7	111.3	Y191 R193 Y196 E221 E280	Y191-R218 WeakPolarHBondContact CB-O 3.49Å; R193-R218 PolarHBondContact O-NH1 2.93Å; Y196-R218 HydrophobicContact CD1-CG 4.24Å; Y196-R218 HydrophobicContact CE1-CG 3.95Å; Y196-R218 PolarHBondContact OH-NH2 3.32Å; R218-E221 PolarHBondContact N-OE1 3.19Å; R218-E280 IonicContact NE-OE1 2.69Å; R218-E280 IonicContact NH2-OE1 3.62Å
219	G	94	Very high	95.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	141.8	-66.7	175.1	0	0	0	0	0	113.7	E221 V222	G219-E221 WeakPolarHBondContact CA-OE2 3.34Å; G219-E221 PolarHBondContact N-OE2 2.61Å; G219-E221 PolarHBondContact O-N 3.41Å; G219-E221 VanDerWaalsContact O-N 3.09Å; G219-V222 WeakPolarHBondContact O-CG2 3.45Å; G219-V222 PolarHBondContact O-N 3.25Å
220	P	96.9	Very high	95.4	Very high	28 Å²	28	22.8 Å²	22.8	18%	0.182	12%	0.115	C	C	.	.	H	α-helix	trans	-56.1	-29.4	-172.9	-30.6	38.8	0	0	0	115.5	V163 Y191 V222 T224	V163-P220 HydrophobicContact CG1-CG 4.08Å; Y191-P220 HydrophobicContact CD2-CG 4.03Å; Y191-P220 HydrophobicContact CE1-CG 4.12Å; Y191-P220 HydrophobicContact CE2-CG 3.36Å; Y191-P220 VanDerWaalsContact CZ-CG 3.41Å; Y191-P220 WeakPolarHBondContact OH-CG 3.4Å; P220-V222 VanDerWaalsContact C-N 3.35Å; P220-T224 WeakPolarHBondContact O-CB 3.33Å; P220-T224 PolarHBondContact O-N 3.41Å; P220-T224 VanDerWaalsContact O-N 3.08Å; P220-T224 PolarHBondContact O-OG1 3.34Å
221	E	97.2	Very high	95.5	Very high	28 Å²	28	22.2 Å²	22.2	13%	0.131	11%	0.113	C	C	.	.	H	α-helix	trans	-68.6	-30.3	178.1	73.8	-83.3	-150.2	0	0	112.9	R218 G219 W225 P279 R282	R218-E221 PolarHBondContact N-OE1 3.19Å; G219-E221 WeakPolarHBondContact CA-OE2 3.34Å; G219-E221 PolarHBondContact N-OE2 2.61Å; G219-E221 PolarHBondContact O-N 3.41Å; G219-E221 VanDerWaalsContact O-N 3.09Å; E221-W225 PolarHBondContact O-N 3.01Å; E221-W225 VanDerWaalsContact O-N 3.11Å; E221-P279 HydrophobicContact CB-CB 4.09Å; E221-P279 HydrophobicContact CG-CB 3.77Å; E221-R282 WeakPolarHBondContact O-CD 3.43Å; E221-R282 PolarHBondContact O-NH1 3.27Å
222	V	97.4	Very high	95.7	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.03	11%	0.112	C	C	.	.	H	α-helix	trans	-76.8	-42.6	-179.8	-39.2	0	0	0	0	110.3	R165 E210 I211 Y217 G219 P220 T224 W225 S226	R165-V222 HydrophobicContact CG-CG2 4.3Å; E210-V222 HydrophobicContact CG-CG1 4.26Å; I211-V222 HydrophobicContact CD1-CG1 4.29Å; I211-V222 HydrophobicContact CG1-CB 4.34Å; I211-V222 HydrophobicContact CG1-CG1 4.16Å; Y217-V222 HydrophobicContact CD2-CG1 3.4Å; Y217-V222 HydrophobicContact CD2-CG2 4.36Å; Y217-V222 HydrophobicContact CE2-CG1 4.01Å; Y217-V222 HydrophobicContact CE2-CG2 4.2Å; Y217-V222 HydrophobicContact CG-CG1 3.8Å; G219-V222 WeakPolarHBondContact O-CG2 3.45Å; G219-V222 PolarHBondContact O-N 3.25Å; P220-V222 VanDerWaalsContact C-N 3.35Å; V222-T224 VanDerWaalsContact C-N 3.27Å; V222-T224 PolarHBondContact O-N 2.79Å; V222-W225 WeakPolarHBondContact O-CB 3.4Å; V222-W225 PolarHBondContact O-N 3.21Å; V222-S226 PolarHBondContact O-N 3.26Å; V222-S226 PolarHBondContact O-OG 2.77Å
223	D	98.2	Very high	95.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.2	-41.4	171.6	-77.4	-13.7	0	0	0	110.8	V154 H158 V163 H164 R165 L167 W225 S226 L227	V154-D223 HydrophobicContact CG1-CB 4.3Å; H158-D223 IonicContact CD2-OD2 2.69Å; H158-D223 IonicContact CE1-OD2 2.76Å; H158-D223 IonicContact NE2-OD2 3.3Å; H158-D223 PolarHBondContact NE2-OD2 3.01Å; V163-D223 WeakPolarHBondContact CA-OD2 3.2Å; H164-D223 PolarHBondContact N-OD1 3.08Å; H164-D223 PolarHBondContact N-OD2 3.25Å; R165-D223 WeakPolarHBondContact CA-OD1 3.37Å; R165-D223 PolarHBondContact N-OD1 2.91Å; L167-D223 HydrophobicContact CD1-CB 3.78Å; D223-W225 VanDerWaalsContact C-N 3.34Å; D223-W225 PolarHBondContact O-N 3.41Å; D223-S226 WeakPolarHBondContact O-CB 3.43Å; D223-S226 PolarHBondContact O-N 3.05Å; D223-L227 WeakPolarHBondContact O-CG 3.3Å; D223-L227 PolarHBondContact O-N 2.81Å
224	T	98.5	Very high	96.1	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-70.5	-29.2	-179.7	-50.6	0	0	0	0	112.7	P220 V222 L227 G228 M274 A283 V288	P220-T224 WeakPolarHBondContact O-CB 3.33Å; P220-T224 PolarHBondContact O-N 3.41Å; P220-T224 VanDerWaalsContact O-N 3.08Å; P220-T224 PolarHBondContact O-OG1 3.34Å; V222-T224 VanDerWaalsContact C-N 3.27Å; V222-T224 PolarHBondContact O-N 2.79Å; T224-L227 PolarHBondContact O-N 2.9Å; T224-G228 PolarHBondContact O-N 3.34Å; T224-M274 HydrophobicContact CG2-CB 4.42Å; T224-M274 HydrophobicContact CG2-CG 3.91Å; T224-M274 HydrophobicContact CG2-SD 4.17Å; T224-A283 HydrophobicContact CG2-CB 4.48Å; T224-A283 WeakPolarHBondContact CG2-O 3.24Å; T224-V288 HydrophobicContact CG2-CG2 3.9Å
225	W	98.6	Very high	96.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-67	-45.1	168.1	175.9	-81.8	0	0	0	111.9	A207 S208 P209 E221 V222 D223 L227 G228 V229 F241 I253 L275	A207-W225 PolarHBondContact O-NE1 3.09Å; S208-W225 VanDerWaalsContact CA-CD1 3.45Å; P209-W225 HydrophobicContact CG-CD2 4.47Å; P209-W225 HydrophobicContact CG-CE3 4.04Å; P209-W225 HydrophobicContact CG-CH2 3.53Å; P209-W225 HydrophobicContact CG-CZ2 4Å; P209-W225 HydrophobicContact CG-CZ3 3.55Å; E221-W225 PolarHBondContact O-N 3.01Å; E221-W225 VanDerWaalsContact O-N 3.11Å; V222-W225 WeakPolarHBondContact O-CB 3.4Å; V222-W225 PolarHBondContact O-N 3.21Å; D223-W225 VanDerWaalsContact C-N 3.34Å; D223-W225 PolarHBondContact O-N 3.41Å; W225-L227 VanDerWaalsContact C-N 3.26Å; W225-L227 PolarHBondContact O-N 3.41Å; W225-G228 WeakPolarHBondContact O-CA 3.27Å; W225-G228 PolarHBondContact O-N 2.63Å; W225-V229 PolarHBondContact O-N 3.09Å; W225-F241 AromaticContact CH2-CZ 3.94Å; W225-F241 HydrophobicContact CH2-CZ 3.94Å; W225-F241 AromaticContact CZ2-CE2 3.63Å; W225-F241 HydrophobicContact CZ2-CE2 3.63Å; W225-F241 AromaticContact CZ2-CZ 3.42Å; W225-F241 HydrophobicContact CZ2-CZ 3.42Å; W225-F241 VanDerWaalsContact CZ2-CZ 3.42Å; W225-I253 HydrophobicContact CH2-CG2 4.48Å; W225-I253 HydrophobicContact CZ2-CB 4.43Å; W225-I253 HydrophobicContact CZ2-CG1 4.48Å; W225-I253 HydrophobicContact CZ2-CG2 3.82Å; W225-L275 HydrophobicContact CD2-CD2 3.82Å; W225-L275 HydrophobicContact CE3-CD2 4.04Å; W225-L275 HydrophobicContact CG-CD2 4.33Å; W225-L275 HydrophobicContact CH2-CD2 4.42Å; W225-L275 HydrophobicContact CZ2-CD2 4.2Å; W225-L275 VanDerWaalsContact CZ3-C 3.5Å; W225-L275 HydrophobicContact CZ3-CB 4.28Å; W225-L275 HydrophobicContact CZ3-CD2 4.34Å; W225-L275 WeakPolarHBondContact CZ3-O 3.2Å
226	S	98.4	Very high	96.3	Very high	6 Å²	6	13.8 Å²	13.8	4%	0.042	7%	0.073	C	C	.	.	H	α-helix	trans	-58.8	-37.7	174.4	-57.9	0	0	0	0	112.1	Y206 V222 D223 G228 V229 L230	Y206-S226 PolarHBondContact O-OG 3.44Å; V222-S226 PolarHBondContact O-N 3.26Å; V222-S226 PolarHBondContact O-OG 2.77Å; D223-S226 WeakPolarHBondContact O-CB 3.43Å; D223-S226 PolarHBondContact O-N 3.05Å; S226-G228 VanDerWaalsContact C-N 3.35Å; S226-V229 PolarHBondContact O-N 3.37Å; S226-L230 VanDerWaalsContact O-CB 3.31Å; S226-L230 WeakPolarHBondContact O-CB 3.45Å; S226-L230 PolarHBondContact O-N 2.91Å
227	L	98.7	Very high	96.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-64	-35.7	170.9	-70.7	177.9	0	0	0	113.1	F147 I150 V151 V154 L167 D223 T224 W225 L230 L231 M274 I285	F147-L227 HydrophobicContact CE2-CB 3.94Å; F147-L227 HydrophobicContact CE2-CD2 3.86Å; F147-L227 HydrophobicContact CE2-CG 4.43Å; F147-L227 WeakPolarHBondContact CE2-O 3.33Å; F147-L227 HydrophobicContact CZ-CB 4Å; F147-L227 HydrophobicContact CZ-CD2 4.46Å; I150-L227 HydrophobicContact CG2-CD2 3.48Å; I150-L227 VanDerWaalsContact CG2-CD2 3.48Å; V151-L227 HydrophobicContact CG2-CD1 4.4Å; V154-L227 HydrophobicContact CB-CD1 4.29Å; V154-L227 HydrophobicContact CG1-CD1 4.09Å; V154-L227 HydrophobicContact CG2-CD1 4.38Å; V154-L227 HydrophobicContact CG2-CD2 4.34Å; L167-L227 HydrophobicContact CD1-CD2 4.19Å; L167-L227 HydrophobicContact CD1-CG 4.11Å; D223-L227 WeakPolarHBondContact O-CG 3.3Å; D223-L227 PolarHBondContact O-N 2.81Å; T224-L227 PolarHBondContact O-N 2.9Å; W225-L227 VanDerWaalsContact C-N 3.26Å; W225-L227 PolarHBondContact O-N 3.41Å; L227-L230 PolarHBondContact O-N 2.98Å; L227-L231 WeakPolarHBondContact O-CB 3.35Å; L227-L231 PolarHBondContact O-N 3.32Å; L227-M274 HydrophobicContact CB-SD 3.9Å; L227-I285 HydrophobicContact CD1-CD1 3.56Å
228	G	98.4	Very high	96	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.7	-43.7	172	0	0	0	0	0	113.1	T224 W225 S226 Y232	T224-G228 PolarHBondContact O-N 3.34Å; W225-G228 WeakPolarHBondContact O-CA 3.27Å; W225-G228 PolarHBondContact O-N 2.63Å; S226-G228 VanDerWaalsContact C-N 3.35Å; G228-Y232 PolarHBondContact O-N 3.32Å
229	V	98.1	Very high	95.9	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.7	-48.4	173.9	174.1	0	0	0	0	110.4	Y206 W225 S226 L231 Y232 T233 M239 P240 F241 L275	Y206-V229 HydrophobicContact CD1-CB 3.97Å; Y206-V229 HydrophobicContact CD1-CG1 3.52Å; Y206-V229 HydrophobicContact CE1-CG1 3.87Å; Y206-V229 HydrophobicContact CG-CG1 4.16Å; W225-V229 PolarHBondContact O-N 3.09Å; S226-V229 PolarHBondContact O-N 3.37Å; V229-L231 PolarHBondContact O-N 3.19Å; V229-Y232 WeakPolarHBondContact O-CB 3.26Å; V229-Y232 PolarHBondContact O-N 2.75Å; V229-T233 PolarHBondContact O-N 3.32Å; V229-T233 PolarHBondContact O-OG1 3.19Å; V229-M239 HydrophobicContact CG1-CE 3.76Å; V229-P240 HydrophobicContact CB-CG 4.25Å; V229-P240 HydrophobicContact CG1-CG 3.84Å; V229-P240 HydrophobicContact CG2-CG 4.13Å; V229-F241 HydrophobicContact CG2-CD2 4.42Å; V229-F241 HydrophobicContact CG2-CE2 3.96Å; V229-L275 HydrophobicContact CG2-CD2 3.91Å
230	L	97.8	Very high	96	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.9	-44.6	-178.4	-173.6	149.6	0	0	0	112.2	F147 I150 L169 I172 Y206 S226 L227 T233 L234	F147-L230 HydrophobicContact CD2-CD2 3.81Å; F147-L230 HydrophobicContact CE2-CD2 4.23Å; I150-L230 HydrophobicContact CD1-CD1 4.38Å; I150-L230 HydrophobicContact CD1-CD2 3.7Å; L169-L230 HydrophobicContact CD2-CD1 4.02Å; L169-L230 HydrophobicContact CD2-CD2 4.37Å; L169-L230 HydrophobicContact CD2-CG 3.82Å; L169-L230 HydrophobicContact CG-CG 4.43Å; I172-L230 HydrophobicContact CD1-CD1 3.41Å; I172-L230 VanDerWaalsContact CD1-CD1 3.41Å; Y206-L230 HydrophobicContact CE1-CB 4.45Å; S226-L230 VanDerWaalsContact O-CB 3.31Å; S226-L230 WeakPolarHBondContact O-CB 3.45Å; S226-L230 PolarHBondContact O-N 2.91Å; L227-L230 PolarHBondContact O-N 2.98Å; L230-T233 PolarHBondContact O-N 3.42Å; L230-L234 HydrophobicContact CD2-CD1 3.52Å; L230-L234 HydrophobicContact CD2-CG 4Å; L230-L234 WeakPolarHBondContact O-CG 3.31Å; L230-L234 PolarHBondContact O-N 3.04Å
231	L	97.9	Very high	95.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63.9	-41.6	177.4	179.4	58	0	0	0	111.6	F147 L227 V229 T233 L234 V235 A267 L270 I271 M274 W293	F147-L231 HydrophobicContact CB-CD1 4.17Å; F147-L231 HydrophobicContact CD1-CD1 3.92Å; F147-L231 HydrophobicContact CD1-CD2 4.03Å; F147-L231 HydrophobicContact CD1-CG 4.37Å; F147-L231 HydrophobicContact CD2-CB 4.01Å; F147-L231 HydrophobicContact CD2-CD1 4.27Å; F147-L231 HydrophobicContact CE1-CB 4.33Å; F147-L231 HydrophobicContact CE1-CD1 4.44Å; F147-L231 HydrophobicContact CE1-CD2 3.78Å; F147-L231 HydrophobicContact CE1-CG 4.4Å; F147-L231 HydrophobicContact CE2-CB 3.78Å; F147-L231 HydrophobicContact CG-CB 4.39Å; F147-L231 HydrophobicContact CG-CD1 3.85Å; F147-L231 HydrophobicContact CZ-CB 3.97Å; F147-L231 HydrophobicContact CZ-CD2 4.15Å; L227-L231 WeakPolarHBondContact O-CB 3.35Å; L227-L231 PolarHBondContact O-N 3.32Å; V229-L231 PolarHBondContact O-N 3.19Å; L231-T233 VanDerWaalsContact C-N 3.31Å; L231-T233 PolarHBondContact O-N 2.78Å; L231-L234 PolarHBondContact O-N 3.25Å; L231-V235 HydrophobicContact CD1-CG1 4.04Å; L231-V235 WeakPolarHBondContact O-CG2 3.46Å; L231-V235 PolarHBondContact O-N 2.93Å; L231-V235 VanDerWaalsContact O-N 3.11Å; L231-A267 HydrophobicContact CD1-CB 4.49Å; L231-A267 HydrophobicContact CD2-CB 4.21Å; L231-A267 HydrophobicContact CG-CB 4.42Å; L231-L270 HydrophobicContact CD2-CD2 3.91Å; L231-L270 HydrophobicContact CD2-CG 4.17Å; L231-I271 HydrophobicContact CB-CG1 4.24Å; L231-I271 HydrophobicContact CD2-CD1 4.47Å; L231-I271 HydrophobicContact CD2-CG1 3.7Å; L231-I271 HydrophobicContact CG-CD1 4.13Å; L231-I271 HydrophobicContact CG-CG1 3.73Å; L231-M274 HydrophobicContact CB-CE 3.89Å; L231-M274 HydrophobicContact CD2-CE 3.48Å; L231-M274 VanDerWaalsContact CD2-CE 3.48Å; L231-M274 HydrophobicContact CG-CE 4.33Å; L231-W293 HydrophobicContact CD1-CH2 3.54Å; L231-W293 HydrophobicContact CD1-CZ2 4.38Å; L231-W293 HydrophobicContact CD1-CZ3 3.81Å; L231-W293 HydrophobicContact CD2-CZ3 4.34Å
232	Y	96.6	Very high	95.3	Very high	1 Å²	1	10.5 Å²	10.5	0%	0.004	6%	0.059	C	C	.	.	H	α-helix	trans	-55.2	-49.1	173	-179.6	-73.6	0	0	0	110.5	G228 V229 L234 V235 H236 T238 P240 Y258 R259 I271	G228-Y232 PolarHBondContact O-N 3.32Å; V229-Y232 WeakPolarHBondContact O-CB 3.26Å; V229-Y232 PolarHBondContact O-N 2.75Å; Y232-L234 VanDerWaalsContact C-N 3.35Å; Y232-L234 PolarHBondContact O-N 3.48Å; Y232-V235 PolarHBondContact O-N 3.37Å; Y232-H236 HydrophobicContact CD1-CB 4.29Å; Y232-H236 AromaticContact CD2-CD2 3.63Å; Y232-H236 HydrophobicContact CE1-CB 3.94Å; Y232-H236 AromaticContact CE2-CD2 3.56Å; Y232-H236 AromaticContact CG-CD2 3.94Å; Y232-H236 AromaticContact CZ-CD2 3.8Å; Y232-H236 WeakPolarHBondContact O-CB 3.47Å; Y232-H236 PolarHBondContact O-N 3Å; Y232-T238 WeakPolarHBondContact CD1-O 3.35Å; Y232-T238 WeakPolarHBondContact CE1-O 3.46Å; Y232-P240 HydrophobicContact CD1-CB 3.77Å; Y232-P240 HydrophobicContact CD1-CG 4.12Å; Y232-P240 HydrophobicContact CD2-CB 3.96Å; Y232-P240 HydrophobicContact CE1-CB 4.06Å; Y232-P240 HydrophobicContact CE2-CB 4.22Å; Y232-P240 HydrophobicContact CG-CB 3.76Å; Y232-P240 HydrophobicContact CG-CG 4.22Å; Y232-Y258 HydrophobicContact CD2-CD2 4.1Å; Y232-Y258 HydrophobicContact CD2-CE2 4.24Å; Y232-Y258 AromaticContact CE2-CD2 3.88Å; Y232-Y258 HydrophobicContact CE2-CD2 3.88Å; Y232-Y258 HydrophobicContact CE2-CE2 4.19Å; Y232-R259 WeakPolarHBondContact CE2-O 3.46Å; Y232-R259 PolarHBondContact OH-O 3.04Å; Y232-I271 HydrophobicContact CD2-CG2 4.19Å
233	T	94.8	Very high	94.3	Very high	4 Å²	4	11.6 Å²	11.6	3%	0.025	7%	0.071	C	C	.	.	H	α-helix	trans	-65.3	-36.1	-179.4	-51.6	0	0	0	0	112.3	L169 V229 L230 L231 G237 T238 M239	L169-T233 HydrophobicContact CD1-CG2 3.73Å; V229-T233 PolarHBondContact O-N 3.32Å; V229-T233 PolarHBondContact O-OG1 3.19Å; L230-T233 PolarHBondContact O-N 3.42Å; L231-T233 VanDerWaalsContact C-N 3.31Å; L231-T233 PolarHBondContact O-N 2.78Å; T233-G237 WeakPolarHBondContact O-CA 3.47Å; T233-G237 PolarHBondContact O-N 3.11Å; T233-T238 WeakPolarHBondContact CA-O 3.37Å; T233-T238 PolarHBondContact OG1-O 2.66Å; T233-M239 HydrophobicContact CG2-SD 3.92Å; T233-M239 PolarHBondContact OG1-SD 3.21Å
234	L	95.2	Very high	93.5	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-62.6	-42	174.6	-73.9	175.5	0	0	0	113.4	L128 I132 L138 A143 F147 L169 L230 L231 Y232	L128-L234 HydrophobicContact CD2-CD2 4.33Å; I132-L234 HydrophobicContact CD1-CD2 3.58Å; L138-L234 HydrophobicContact CD1-CB 4.41Å; L138-L234 HydrophobicContact CD1-CD2 3.53Å; A143-L234 HydrophobicContact CB-CB 4.01Å; F147-L234 HydrophobicContact CB-CD1 3.9Å; F147-L234 HydrophobicContact CD2-CD1 4.25Å; F147-L234 HydrophobicContact CG-CD1 4.49Å; L169-L234 HydrophobicContact CD2-CD2 4.26Å; L230-L234 HydrophobicContact CD2-CD1 3.52Å; L230-L234 HydrophobicContact CD2-CG 4Å; L230-L234 WeakPolarHBondContact O-CG 3.31Å; L230-L234 PolarHBondContact O-N 3.04Å; L231-L234 PolarHBondContact O-N 3.25Å; Y232-L234 VanDerWaalsContact C-N 3.35Å; Y232-L234 PolarHBondContact O-N 3.48Å
235	V	94.8	Very high	92.8	Very high	28 Å²	28	20.9 Å²	20.9	17%	0.17	12%	0.12	C	C	.	.	H	α-helix	trans	-94.1	-15.6	-175.4	-55.9	0	0	0	0	114.5	A143 L231 Y232 A267 I271 W293	A143-V235 HydrophobicContact CB-CG1 3.77Å; L231-V235 HydrophobicContact CD1-CG1 4.04Å; L231-V235 WeakPolarHBondContact O-CG2 3.46Å; L231-V235 PolarHBondContact O-N 2.93Å; L231-V235 VanDerWaalsContact O-N 3.11Å; Y232-V235 PolarHBondContact O-N 3.37Å; V235-A267 HydrophobicContact CG1-CB 4.26Å; V235-A267 HydrophobicContact CG2-CB 4.43Å; V235-I271 HydrophobicContact CG2-CD1 3.73Å; V235-W293 HydrophobicContact CG1-CZ2 4.23Å
236	H	91.9	Very high	92.1	Very high	37 Å²	37	23.7 Å²	23.7	17%	0.171	13%	0.133	C	C	.	.	H	α-helix	trans	-122	-1.6	-177.8	-60.8	-39.6	0	0	0	114.8	Y232 T238	Y232-H236 HydrophobicContact CD1-CB 4.29Å; Y232-H236 AromaticContact CD2-CD2 3.63Å; Y232-H236 HydrophobicContact CE1-CB 3.94Å; Y232-H236 AromaticContact CE2-CD2 3.56Å; Y232-H236 AromaticContact CG-CD2 3.94Å; Y232-H236 AromaticContact CZ-CD2 3.8Å; Y232-H236 WeakPolarHBondContact O-CB 3.47Å; Y232-H236 PolarHBondContact O-N 3Å; H236-T238 PolarHBondContact O-N 3.22Å; H236-T238 PolarHBondContact O-OG1 3.45Å
237	G	90.3	Very high	91.5	Very high	8 Å²	8	28.5 Å²	28.5	8%	0.082	15%	0.153	C	C	.	.	S	Bend	trans	57.6	20.4	175	0	0	0	0	0	115.3	T233 W570	T233-G237 WeakPolarHBondContact O-CA 3.47Å; T233-G237 PolarHBondContact O-N 3.11Å; G237-W570 VanDerWaalsContact O-CH2 3.3Å; G237-W570 WeakPolarHBondContact O-CH2 3.34Å; G237-W570 VanDerWaalsContact O-CZ3 3.24Å; G237-W570 WeakPolarHBondContact O-CZ3 3.28Å
238	T	89.7	Confident	91	Very high	25 Å²	25	32 Å²	32	15%	0.153	17%	0.171	C	C	.	.	S	Bend	trans	-149.4	157.1	-174.5	46.1	0	0	0	0	108.8	Y232 T233 H236 P569	Y232-T238 WeakPolarHBondContact CD1-O 3.35Å; Y232-T238 WeakPolarHBondContact CE1-O 3.46Å; T233-T238 WeakPolarHBondContact CA-O 3.37Å; T233-T238 PolarHBondContact OG1-O 2.66Å; H236-T238 PolarHBondContact O-N 3.22Å; H236-T238 PolarHBondContact O-OG1 3.45Å; T238-P569 WeakPolarHBondContact CG2-O 3.46Å
239	M	91.7	Very high	90.6	Very high	18 Å²	18	32.4 Å²	32.4	9%	0.089	17%	0.173	C	C	.	.			trans	-75.8	147.7	175.4	-64.4	-56.5	-82.2	0	0	111.7	L205 Y206 V229 T233 F241 Y573	L205-M239 HydrophobicContact CB-CE 3.73Å; L205-M239 HydrophobicContact CD1-CE 4.16Å; L205-M239 HydrophobicContact CG-CE 4.47Å; Y206-M239 HydrophobicContact CD2-CE 4.5Å; Y206-M239 HydrophobicContact CE1-CE 4.33Å; Y206-M239 HydrophobicContact CE2-CE 4.07Å; V229-M239 HydrophobicContact CG1-CE 3.76Å; T233-M239 HydrophobicContact CG2-SD 3.92Å; T233-M239 PolarHBondContact OG1-SD 3.21Å; M239-F241 VanDerWaalsContact C-N 3.35Å; M239-Y573 HydrophobicContact CG-CD2 4.46Å; M239-Y573 HydrophobicContact CG-CE2 3.7Å; M239-Y573 HydrophobicContact SD-CE2 3.75Å
240	P	94.3	Very high	90.3	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.019	18%	0.181	C	C	.	.	S	Bend	trans	-71.3	-29	176.5	25.4	-31.5	0	0	0	113.1	V229 Y232 Y258 R259	V229-P240 HydrophobicContact CB-CG 4.25Å; V229-P240 HydrophobicContact CG1-CG 3.84Å; V229-P240 HydrophobicContact CG2-CG 4.13Å; Y232-P240 HydrophobicContact CD1-CB 3.77Å; Y232-P240 HydrophobicContact CD1-CG 4.12Å; Y232-P240 HydrophobicContact CD2-CB 3.96Å; Y232-P240 HydrophobicContact CE1-CB 4.06Å; Y232-P240 HydrophobicContact CE2-CB 4.22Å; Y232-P240 HydrophobicContact CG-CB 3.76Å; Y232-P240 HydrophobicContact CG-CG 4.22Å; P240-Y258 HydrophobicContact CB-CD2 4.47Å; P240-Y258 HydrophobicContact CB-CG 4.43Å; P240-Y258 CarbonylContact O-C 3.59Å; P240-Y258 WeakPolarHBondContact O-CA 3.42Å; P240-Y258 WeakPolarHBondContact O-CB 3.38Å; P240-R259 PolarHBondContact O-N 3.01Å
241	F	93.4	Very high	90	Very high	8 Å²	8	40 Å²	40	4%	0.035	21%	0.21	C	C	.	.	S	Bend	trans	-117.5	153.5	-177.3	-53.7	-64.8	0	0	0	111.1	W225 V229 M239 L249 Q252 I253	W225-F241 AromaticContact CH2-CZ 3.94Å; W225-F241 HydrophobicContact CH2-CZ 3.94Å; W225-F241 AromaticContact CZ2-CE2 3.63Å; W225-F241 HydrophobicContact CZ2-CE2 3.63Å; W225-F241 AromaticContact CZ2-CZ 3.42Å; W225-F241 HydrophobicContact CZ2-CZ 3.42Å; W225-F241 VanDerWaalsContact CZ2-CZ 3.42Å; V229-F241 HydrophobicContact CG2-CD2 4.42Å; V229-F241 HydrophobicContact CG2-CE2 3.96Å; M239-F241 VanDerWaalsContact C-N 3.35Å; F241-L249 HydrophobicContact CB-CD1 3.55Å; F241-L249 HydrophobicContact CG-CD1 4.4Å; F241-Q252 HydrophobicContact CD1-CB 3.89Å; F241-I253 HydrophobicContact CD1-CG1 4.19Å; F241-I253 HydrophobicContact CD2-CD1 4.44Å; F241-I253 HydrophobicContact CD2-CG1 3.82Å; F241-I253 HydrophobicContact CE1-CG1 4.27Å; F241-I253 HydrophobicContact CE2-CG1 3.95Å; F241-I253 HydrophobicContact CG-CG1 3.95Å; F241-I253 HydrophobicContact CZ-CG1 4.18Å
242	D	85.8	Confident	89.8	Confident	73 Å²	73	42 Å²	42	39%	0.39	22%	0.22	S	C	.	.			trans	-90.8	117.3	179.9	-169.6	-14.4	0	0	0	111.2	L244 L249	D242-L244 VanDerWaalsContact OD1-CB 3.29Å; D242-L244 WeakPolarHBondContact OD1-CB 3.23Å; D242-L244 VanDerWaalsContact OD1-CG 3.26Å; D242-L244 WeakPolarHBondContact OD1-CG 3.45Å; D242-L244 PolarHBondContact OD1-N 2.81Å; D242-L249 WeakPolarHBondContact O-CB 3.44Å
243	G	78.2	Confident	89.8	Confident	28 Å²	28	42 Å²	42	29%	0.289	22%	0.22	S	C	.	.			trans	-80.8	-13	179.2	0	0	0	0	0	115.4	N245	G243-N245 PolarHBondContact O-N 3.43Å
244	L	80.2	Confident	89.8	Confident	119 Å²	119	43.4 Å²	43.4	62%	0.623	23%	0.23	S	C	*	.	S	Bend	trans	-65.5	-23.1	-169	-66.4	172.5	0	0	0	113.9	D242	D242-L244 VanDerWaalsContact OD1-CB 3.29Å; D242-L244 WeakPolarHBondContact OD1-CB 3.23Å; D242-L244 VanDerWaalsContact OD1-CG 3.26Å; D242-L244 WeakPolarHBondContact OD1-CG 3.45Å; D242-L244 PolarHBondContact OD1-N 2.81Å
245	N	85.3	Confident	89.8	Confident	76 Å²	76	47.4 Å²	47.4	41%	0.406	26%	0.255	S	S	.	.			trans	-138.9	114.3	174.7	-177.8	-30	0	0	0	110.6	G243 K247 I248 L249	G243-N245 PolarHBondContact O-N 3.43Å; N245-K247 VanDerWaalsContact C-N 3.29Å; N245-K247 PolarHBondContact O-N 2.78Å; N245-K247 PolarHBondContact OD1-N 2.77Å; N245-I248 HydrophobicContact CB-CB 4.16Å; N245-I248 HydrophobicContact CB-CD1 3.97Å; N245-I248 HydrophobicContact CB-CG1 4.03Å; N245-I248 WeakPolarHBondContact O-CA 3.34Å; N245-I248 WeakPolarHBondContact O-CB 3.49Å; N245-I248 PolarHBondContact O-N 2.85Å; N245-L249 PolarHBondContact O-N 3.28Å
246	H	82.5	Confident	89.7	Confident	60 Å²	60	47 Å²	47	28%	0.278	26%	0.256	S	S	.	.	H	α-helix	trans	-57.2	-35.4	-176.7	-175.2	44.4	0	0	0	114.1	I248 L249 V250 M598	H246-I248 VanDerWaalsContact C-N 3.35Å; H246-L249 PolarHBondContact O-N 3.41Å; H246-V250 VanDerWaalsContact O-CG2 3.3Å; H246-V250 WeakPolarHBondContact O-CG2 3.08Å; H246-V250 PolarHBondContact O-N 2.98Å; H246-M598 PolarHBondContact NE2-SD 2.98Å; H246-M598 VanDerWaalsContact NE2-SD 3.45Å
247	K	85.8	Confident	89.8	Confident	106 Å²	106	48.7 Å²	48.7	46%	0.461	27%	0.272	S	S	.	.	H	α-helix	trans	-66.3	-39.2	176.7	-67.3	-176.1	178.8	177.8	0	111.1	N245 Q251 R601	N245-K247 VanDerWaalsContact C-N 3.29Å; N245-K247 PolarHBondContact O-N 2.78Å; N245-K247 PolarHBondContact OD1-N 2.77Å; K247-Q251 WeakPolarHBondContact O-CB 3.25Å; K247-Q251 PolarHBondContact O-N 2.85Å; K247-Q251 VanDerWaalsContact O-N 3.12Å; K247-R601 WeakPolarHBondContact CE-O 3.28Å; K247-R601 PolarHBondContact NZ-O 3.28Å
248	I	89.1	Confident	89.9	Confident	74 Å²	74	50.8 Å²	50.8	38%	0.379	28%	0.278	S	S	.	.	H	α-helix	trans	-70.1	-43.5	176	-60.4	-178.9	0	0	0	110.4	N245 H246 V250 Q251 Q252	N245-I248 HydrophobicContact CB-CB 4.16Å; N245-I248 HydrophobicContact CB-CD1 3.97Å; N245-I248 HydrophobicContact CB-CG1 4.03Å; N245-I248 WeakPolarHBondContact O-CA 3.34Å; N245-I248 WeakPolarHBondContact O-CB 3.49Å; N245-I248 PolarHBondContact O-N 2.85Å; H246-I248 VanDerWaalsContact C-N 3.35Å; I248-V250 PolarHBondContact O-N 2.83Å; I248-Q251 PolarHBondContact O-N 2.84Å; I248-Q252 HydrophobicContact CG2-CG 4.2Å; I248-Q252 WeakPolarHBondContact O-CB 3.17Å; I248-Q252 WeakPolarHBondContact O-CG 3.49Å; I248-Q252 PolarHBondContact O-N 2.78Å
249	L	89.6	Confident	89.8	Confident	8 Å²	8	56.4 Å²	56.4	4%	0.042	30%	0.296	C	S	.	.	H	α-helix	trans	-55.6	-50	175.8	178.3	58.3	0	0	0	111.8	P204 L205 F241 D242 N245 H246 Q251 Q252 I253	P204-L249 HydrophobicContact CB-CD2 4.33Å; L205-L249 HydrophobicContact CD2-CD1 3.91Å; L205-L249 HydrophobicContact CD2-CD2 4.05Å; F241-L249 HydrophobicContact CB-CD1 3.55Å; F241-L249 HydrophobicContact CG-CD1 4.4Å; D242-L249 WeakPolarHBondContact O-CB 3.44Å; N245-L249 PolarHBondContact O-N 3.28Å; H246-L249 PolarHBondContact O-N 3.41Å; L249-Q251 VanDerWaalsContact C-N 3.32Å; L249-Q251 PolarHBondContact O-N 3.44Å; L249-Q252 PolarHBondContact O-N 3.08Å; L249-I253 HydrophobicContact CD1-CD1 3.65Å; L249-I253 HydrophobicContact CD1-CG1 4.14Å; L249-I253 HydrophobicContact CG-CD1 3.89Å; L249-I253 WeakPolarHBondContact O-CB 3.26Å; L249-I253 WeakPolarHBondContact O-CG1 3.47Å; L249-I253 PolarHBondContact O-N 3.21Å
250	V	90.7	Very high	89.6	Confident	27 Å²	27	64 Å²	64	16%	0.164	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-38.6	178.7	172.8	0	0	0	0	111.1	V212 H246 I248 S254 M598	V212-V250 HydrophobicContact CB-CG1 4.32Å; V212-V250 HydrophobicContact CB-CG2 4.37Å; V212-V250 HydrophobicContact CG2-CG1 4.26Å; H246-V250 VanDerWaalsContact O-CG2 3.3Å; H246-V250 WeakPolarHBondContact O-CG2 3.08Å; H246-V250 PolarHBondContact O-N 2.98Å; I248-V250 PolarHBondContact O-N 2.83Å; V250-S254 WeakPolarHBondContact O-CB 3.49Å; V250-S254 PolarHBondContact O-N 2.82Å; V250-S254 PolarHBondContact O-OG 3.21Å; V250-M598 HydrophobicContact CG2-CE 3.73Å; V250-M598 HydrophobicContact CG2-SD 3.79Å
251	Q	92.7	Very high	89.2	Confident	132 Å²	132	65.8 Å²	65.8	62%	0.617	34%	0.34	S	S	*	.	H	α-helix	trans	-65.2	-44.6	174.4	-174.9	179.9	-0	0	0	112.2	K247 I248 L249 S254 T255	K247-Q251 WeakPolarHBondContact O-CB 3.25Å; K247-Q251 PolarHBondContact O-N 2.85Å; K247-Q251 VanDerWaalsContact O-N 3.12Å; I248-Q251 PolarHBondContact O-N 2.84Å; L249-Q251 VanDerWaalsContact C-N 3.32Å; L249-Q251 PolarHBondContact O-N 3.44Å; Q251-S254 PolarHBondContact O-N 3.34Å; Q251-T255 WeakPolarHBondContact O-CB 3.42Å; Q251-T255 WeakPolarHBondContact O-CG2 2.97Å; Q251-T255 PolarHBondContact O-N 3.26Å; Q251-T255 PolarHBondContact O-OG1 3.29Å
252	Q	94.3	Very high	88.7	Confident	43 Å²	43	72.8 Å²	72.8	20%	0.201	38%	0.378	C	S	.	.	H	α-helix	trans	-62.3	-49.8	177.8	-75.2	178	-3.5	0	0	111.5	F241 I248 L249 T255 G256 S257	F241-Q252 HydrophobicContact CD1-CB 3.89Å; I248-Q252 HydrophobicContact CG2-CG 4.2Å; I248-Q252 WeakPolarHBondContact O-CB 3.17Å; I248-Q252 WeakPolarHBondContact O-CG 3.49Å; I248-Q252 PolarHBondContact O-N 2.78Å; L249-Q252 PolarHBondContact O-N 3.08Å; Q252-T255 PolarHBondContact O-N 2.99Å; Q252-T255 PolarHBondContact O-OG1 3.25Å; Q252-G256 CarbonylContact O-C 3.53Å; Q252-G256 PolarHBondContact O-N 3.31Å; Q252-S257 PolarHBondContact O-N 2.97Å
253	I	95.2	Very high	88.7	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-58.9	-50.9	176	-70.5	169.7	0	0	0	110.2	P209 V212 W225 F241 L249 T255 G256	P209-I253 HydrophobicContact CB-CG2 4.46Å; P209-I253 HydrophobicContact CG-CG2 4.04Å; V212-I253 HydrophobicContact CG1-CD1 4.02Å; V212-I253 HydrophobicContact CG1-CG2 4Å; V212-I253 HydrophobicContact CG2-CB 4.27Å; V212-I253 HydrophobicContact CG2-CG2 3.62Å; W225-I253 HydrophobicContact CH2-CG2 4.48Å; W225-I253 HydrophobicContact CZ2-CB 4.43Å; W225-I253 HydrophobicContact CZ2-CG1 4.48Å; W225-I253 HydrophobicContact CZ2-CG2 3.82Å; F241-I253 HydrophobicContact CD1-CG1 4.19Å; F241-I253 HydrophobicContact CD2-CD1 4.44Å; F241-I253 HydrophobicContact CD2-CG1 3.82Å; F241-I253 HydrophobicContact CE1-CG1 4.27Å; F241-I253 HydrophobicContact CE2-CG1 3.95Å; F241-I253 HydrophobicContact CG-CG1 3.95Å; F241-I253 HydrophobicContact CZ-CG1 4.18Å; L249-I253 HydrophobicContact CD1-CD1 3.65Å; L249-I253 HydrophobicContact CD1-CG1 4.14Å; L249-I253 HydrophobicContact CG-CD1 3.89Å; L249-I253 WeakPolarHBondContact O-CB 3.26Å; L249-I253 WeakPolarHBondContact O-CG1 3.47Å; L249-I253 PolarHBondContact O-N 3.21Å; I253-T255 PolarHBondContact O-N 2.96Å; I253-G256 PolarHBondContact O-N 3.35Å; I253-G256 VanDerWaalsContact O-N 3.09Å
254	S	94.9	Very high	89	Confident	35 Å²	35	81.2 Å²	81.2	25%	0.245	41%	0.414	C	S	.	.	H	α-helix	trans	-64.1	-23.1	-177.3	-58.4	0	0	0	0	114.2	N213 V250 Q251	N213-S254 PolarHBondContact ND2-OG 3.02Å; V250-S254 WeakPolarHBondContact O-CB 3.49Å; V250-S254 PolarHBondContact O-N 2.82Å; V250-S254 PolarHBondContact O-OG 3.21Å; Q251-S254 PolarHBondContact O-N 3.34Å
255	T	95.1	Very high	89.6	Confident	88 Å²	88	76.2 Å²	76.2	54%	0.54	39%	0.388	S	S	.	.	H	α-helix	trans	-100.3	-7.8	176.7	54.6	0	0	0	0	113.5	Q251 Q252 I253 S257	Q251-T255 WeakPolarHBondContact O-CB 3.42Å; Q251-T255 WeakPolarHBondContact O-CG2 2.97Å; Q251-T255 PolarHBondContact O-N 3.26Å; Q251-T255 PolarHBondContact O-OG1 3.29Å; Q252-T255 PolarHBondContact O-N 2.99Å; Q252-T255 PolarHBondContact O-OG1 3.25Å; I253-T255 PolarHBondContact O-N 2.96Å; T255-S257 PolarHBondContact O-N 2.91Å; T255-S257 VanDerWaalsContact OG1-CB 3.3Å; T255-S257 WeakPolarHBondContact OG1-CB 3.45Å
256	G	93.9	Very high	90.1	Very high	18 Å²	18	77.2 Å²	77.2	19%	0.186	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	19.9	-171.2	0	0	0	0	0	113.2	Q252 I253 Y258 V277	Q252-G256 CarbonylContact O-C 3.53Å; Q252-G256 PolarHBondContact O-N 3.31Å; I253-G256 PolarHBondContact O-N 3.35Å; I253-G256 VanDerWaalsContact O-N 3.09Å; G256-Y258 VanDerWaalsContact C-N 3.34Å; G256-Y258 WeakPolarHBondContact O-CD1 3.46Å; G256-Y258 PolarHBondContact O-N 2.97Å; G256-V277 VanDerWaalsContact CA-CG2 3.47Å; G256-V277 VanDerWaalsContact N-CG2 3.29Å
257	S	93.1	Very high	90.8	Very high	73 Å²	73	74.4 Å²	74.4	51%	0.51	38%	0.381	S	S	.	.			trans	-86.1	73.9	-175.7	-165	0	0	0	0	110.6	Q252 T255	Q252-S257 PolarHBondContact O-N 2.97Å; T255-S257 PolarHBondContact O-N 2.91Å; T255-S257 VanDerWaalsContact OG1-CB 3.3Å; T255-S257 WeakPolarHBondContact OG1-CB 3.45Å
258	Y	92.2	Very high	91.3	Very high	53 Å²	53	72 Å²	72	21%	0.208	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-87.2	157.9	172.9	65.7	-87.4	0	0	0	112.3	Y232 P240 G256 K260 L275	Y232-Y258 HydrophobicContact CD2-CD2 4.1Å; Y232-Y258 HydrophobicContact CD2-CE2 4.24Å; Y232-Y258 AromaticContact CE2-CD2 3.88Å; Y232-Y258 HydrophobicContact CE2-CD2 3.88Å; Y232-Y258 HydrophobicContact CE2-CE2 4.19Å; P240-Y258 HydrophobicContact CB-CD2 4.47Å; P240-Y258 HydrophobicContact CB-CG 4.43Å; P240-Y258 CarbonylContact O-C 3.59Å; P240-Y258 WeakPolarHBondContact O-CA 3.42Å; P240-Y258 WeakPolarHBondContact O-CB 3.38Å; G256-Y258 VanDerWaalsContact C-N 3.34Å; G256-Y258 WeakPolarHBondContact O-CD1 3.46Å; G256-Y258 PolarHBondContact O-N 2.97Å; Y258-K260 PolarHBondContact O-N 3.1Å; Y258-L275 HydrophobicContact CD1-CB 4.49Å; Y258-L275 HydrophobicContact CD1-CD1 4.02Å; Y258-L275 HydrophobicContact CE1-CB 4.25Å; Y258-L275 HydrophobicContact CE1-CD1 4.12Å; Y258-L275 HydrophobicContact CG-CD1 4.24Å
259	R	88.7	Confident	91.6	Very high	142 Å²	142	70 Å²	70	54%	0.536	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-60.5	127.3	176.4	-177.6	177.5	-178.9	-178.2	1.1	110.6	Y232 P240	Y232-R259 WeakPolarHBondContact CE2-O 3.46Å; Y232-R259 PolarHBondContact OH-O 3.04Å; P240-R259 PolarHBondContact O-N 3.01Å
260	K	86.3	Confident	92	Very high	178 Å²	178	69.6 Å²	69.6	77%	0.774	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-79.8	131.3	169.4	-66.6	179.4	-177.9	175	0	109.5	Y258	Y258-K260 PolarHBondContact O-N 3.1Å
261	P	86.4	Confident	92.4	Very high	40 Å²	40	68.4 Å²	68.4	26%	0.26	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-75.6	146.6	178.5	34	-38.9	0	0	0	111.1	K263	P261-K263 PolarHBondContact O-N 2.96Å
262	N	82.2	Confident	92.6	Very high	156 Å²	156	70.1 Å²	70.1	83%	0.834	37%	0.366	S	S	*	.	S	Bend	trans	-67.4	-25.1	178.6	-65.4	18.6	0	0	0	112.8
263	K	85.6	Confident	92.8	Very high	177 Å²	177	72 Å²	72	77%	0.77	37%	0.371	S	S	*	.	S	Bend	trans	-123.5	116.9	170.6	-66.2	-175.6	178.4	-175.9	0	107.4	P261	P261-K263 PolarHBondContact O-N 2.96Å
264	P	86.2	Confident	93	Very high	101 Å²	101	72 Å²	72	66%	0.656	37%	0.371	S	S	*	.			trans	-67.3	147.2	172.1	29.8	-33.7	0	0	0	109.8
265	S	93	Very high	93.1	Very high	13 Å²	13	70.6 Å²	70.6	9%	0.091	36%	0.361	C	S	.	.			trans	-98.7	161.3	162.3	118.1	0	0	0	0	108.7	E140 A267 C268	E140-S265 VanDerWaalsContact CD-OG 3.29Å; E140-S265 WeakPolarHBondContact OE1-CB 3.43Å; E140-S265 PolarHBondContact OE1-OG 3.15Å; E140-S265 WeakPolarHBondContact OE2-CB 3.36Å; S265-A267 PolarHBondContact O-N 3.08Å; S265-A267 VanDerWaalsContact O-N 3.08Å; S265-A267 VanDerWaalsContact OG-CB 3.27Å; S265-A267 WeakPolarHBondContact OG-CB 3.41Å; S265-A267 PolarHBondContact OG-N 3.32Å; S265-A267 VanDerWaalsContact OG-N 3.1Å; S265-C268 VanDerWaalsContact O-CB 3.26Å; S265-C268 WeakPolarHBondContact O-CB 3.38Å; S265-C268 PolarHBondContact O-N 3.11Å; S265-C268 PolarHBondContact O-SG 2.91Å
266	D	95.4	Very high	93.3	Very high	98 Å²	98	68.8 Å²	68.8	52%	0.524	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.1	177.5	-68.2	-25.6	0	0	0	112.4	E140 C268 W292 W293	E140-D266 PolarHBondContact OE1-N 2.82Å; E140-D266 VanDerWaalsContact OE1-N 3.08Å; D266-C268 PolarHBondContact O-N 3.11Å; D266-W292 HydrophobicContact CB-CH2 3.98Å; D266-W293 VanDerWaalsContact C-CD1 3.45Å
267	A	96.6	Very high	93.5	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-16	174	0	0	0	0	0	114.3	E140 L231 V235 S265 G269 L270 I271 W293	E140-A267 PolarHBondContact OE1-N 2.89Å; L231-A267 HydrophobicContact CD1-CB 4.49Å; L231-A267 HydrophobicContact CD2-CB 4.21Å; L231-A267 HydrophobicContact CG-CB 4.42Å; V235-A267 HydrophobicContact CG1-CB 4.26Å; V235-A267 HydrophobicContact CG2-CB 4.43Å; S265-A267 PolarHBondContact O-N 3.08Å; S265-A267 VanDerWaalsContact O-N 3.08Å; S265-A267 VanDerWaalsContact OG-CB 3.27Å; S265-A267 WeakPolarHBondContact OG-CB 3.41Å; S265-A267 PolarHBondContact OG-N 3.32Å; S265-A267 VanDerWaalsContact OG-N 3.1Å; A267-G269 PolarHBondContact O-N 3.26Å; A267-G269 VanDerWaalsContact O-N 3.1Å; A267-L270 WeakPolarHBondContact O-CB 3.32Å; A267-L270 PolarHBondContact O-N 3.43Å; A267-I271 HydrophobicContact CB-CD1 3.86Å; A267-I271 HydrophobicContact CB-CG1 4.28Å; A267-I271 WeakPolarHBondContact O-CG1 3.46Å; A267-I271 PolarHBondContact O-N 2.94Å; A267-W293 HydrophobicContact CB-CD2 4.06Å; A267-W293 HydrophobicContact CB-CG 4.5Å; A267-W293 HydrophobicContact CB-CH2 4.36Å; A267-W293 HydrophobicContact CB-CZ2 3.77Å
268	C	95.9	Very high	93.7	Very high	56 Å²	56	70.8 Å²	70.8	38%	0.378	35%	0.349	S	S	.	.	H	α-helix	trans	-59	-30	-168.8	65.1	0	0	0	0	114.2	S265 D266 R272	S265-C268 VanDerWaalsContact O-CB 3.26Å; S265-C268 WeakPolarHBondContact O-CB 3.38Å; S265-C268 PolarHBondContact O-N 3.11Å; S265-C268 PolarHBondContact O-SG 2.91Å; D266-C268 PolarHBondContact O-N 3.11Å; C268-R272 VanDerWaalsContact O-CB 3.29Å; C268-R272 WeakPolarHBondContact O-CB 3.39Å; C268-R272 PolarHBondContact O-N 2.93Å; C268-R272 VanDerWaalsContact O-N 3.1Å
269	G	96.5	Very high	93.9	Very high	31 Å²	31	70.3 Å²	70.3	32%	0.32	35%	0.352	S	S	.	.	H	α-helix	trans	-64.8	-44.4	172.9	0	0	0	0	0	112.7	A267 W273	A267-G269 PolarHBondContact O-N 3.26Å; A267-G269 VanDerWaalsContact O-N 3.1Å; G269-W273 PolarHBondContact O-N 3.18Å
270	L	98.3	Very high	94.2	Very high	0 Å²	0	70 Å²	70	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-70.7	-44.6	179	-179.7	58.5	0	0	0	111.7	F147 L231 A267 R272 W273 M274 V288 H291 W293	F147-L270 HydrophobicContact CE1-CD2 4.38Å; L231-L270 HydrophobicContact CD2-CD2 3.91Å; L231-L270 HydrophobicContact CD2-CG 4.17Å; A267-L270 WeakPolarHBondContact O-CB 3.32Å; A267-L270 PolarHBondContact O-N 3.43Å; L270-R272 VanDerWaalsContact C-N 3.31Å; L270-R272 PolarHBondContact O-N 3.1Å; L270-W273 PolarHBondContact O-N 3.29Å; L270-W273 VanDerWaalsContact O-N 3.07Å; L270-M274 HydrophobicContact CD1-CG 4.43Å; L270-M274 HydrophobicContact CD2-CE 4.5Å; L270-M274 HydrophobicContact CG-CE 3.99Å; L270-M274 PolarHBondContact O-N 3.29Å; L270-V288 HydrophobicContact CD1-CB 4.47Å; L270-V288 HydrophobicContact CD1-CG1 4.37Å; L270-V288 HydrophobicContact CD1-CG2 4.14Å; L270-H291 HydrophobicContact CD1-CB 3.99Å; L270-H291 HydrophobicContact CD2-CB 4.3Å; L270-W293 HydrophobicContact CD2-CE3 4.16Å
271	I	98.3	Very high	94.7	Very high	2 Å²	2	69.4 Å²	69.4	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-55.2	-48.4	174.9	-66.4	165.7	0	0	0	110.3	L231 Y232 V235 A267 W273 M274 L275	L231-I271 HydrophobicContact CB-CG1 4.24Å; L231-I271 HydrophobicContact CD2-CD1 4.47Å; L231-I271 HydrophobicContact CD2-CG1 3.7Å; L231-I271 HydrophobicContact CG-CD1 4.13Å; L231-I271 HydrophobicContact CG-CG1 3.73Å; Y232-I271 HydrophobicContact CD2-CG2 4.19Å; V235-I271 HydrophobicContact CG2-CD1 3.73Å; A267-I271 HydrophobicContact CB-CD1 3.86Å; A267-I271 HydrophobicContact CB-CG1 4.28Å; A267-I271 WeakPolarHBondContact O-CG1 3.46Å; A267-I271 PolarHBondContact O-N 2.94Å; I271-W273 PolarHBondContact O-N 3.43Å; I271-M274 PolarHBondContact O-N 2.93Å; I271-L275 HydrophobicContact CG2-CD1 3.8Å; I271-L275 HydrophobicContact CG2-CG 4.4Å; I271-L275 WeakPolarHBondContact O-CB 3.17Å; I271-L275 WeakPolarHBondContact O-CG 3.26Å; I271-L275 PolarHBondContact O-N 2.94Å
272	R	97.4	Very high	95.3	Very high	169 Å²	169	68 Å²	68	64%	0.638	34%	0.339	S	S	*	.	H	α-helix	trans	-62.2	-28.8	178.8	-175.2	179.3	62.3	111.7	3.1	113.1	C268 L270 M276	C268-R272 VanDerWaalsContact O-CB 3.29Å; C268-R272 WeakPolarHBondContact O-CB 3.39Å; C268-R272 PolarHBondContact O-N 2.93Å; C268-R272 VanDerWaalsContact O-N 3.1Å; L270-R272 VanDerWaalsContact C-N 3.31Å; L270-R272 PolarHBondContact O-N 3.1Å; R272-M276 VanDerWaalsContact O-CG 3.26Å; R272-M276 WeakPolarHBondContact O-CG 3.23Å
273	W	98.3	Very high	96.1	Very high	82 Å²	82	60.6 Å²	60.6	31%	0.311	30%	0.3	S	S	.	.	H	α-helix	trans	-81.4	-38.5	179.1	-167.4	12	0	0	0	112.4	G269 L270 I271 M276 R281 A283 E287	G269-W273 PolarHBondContact O-N 3.18Å; L270-W273 PolarHBondContact O-N 3.29Å; L270-W273 VanDerWaalsContact O-N 3.07Å; I271-W273 PolarHBondContact O-N 3.43Å; W273-M276 PolarHBondContact O-N 3.24Å; W273-R281 PolarHBondContact NE1-O 3.48Å; W273-A283 HydrophobicContact CB-CB 4.39Å; W273-A283 HydrophobicContact CD2-CB 3.68Å; W273-A283 HydrophobicContact CE3-CB 4.17Å; W273-A283 HydrophobicContact CG-CB 3.76Å; W273-A283 HydrophobicContact CZ2-CB 4.49Å; W273-A283 PolarHBondContact O-N 3.05Å; W273-E287 HydrophobicContact CH2-CB 3.61Å; W273-E287 HydrophobicContact CH2-CG 3.79Å; W273-E287 HydrophobicContact CZ2-CB 4.1Å; W273-E287 VanDerWaalsContact CZ2-CD 3.45Å; W273-E287 HydrophobicContact CZ2-CG 4.11Å; W273-E287 VanDerWaalsContact CZ2-OE1 3.26Å; W273-E287 WeakPolarHBondContact CZ2-OE1 3.27Å; W273-E287 HydrophobicContact CZ3-CB 4.09Å
274	M	98.6	Very high	96.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.5	-33.7	171.1	-68.8	-165.1	-73.7	0	0	112.6	F147 T224 L227 L231 L270 I271 M276 R282 A283 V288	F147-M274 HydrophobicContact CE1-CE 3.97Å; F147-M274 HydrophobicContact CE2-CE 4.42Å; F147-M274 HydrophobicContact CZ-CE 3.51Å; F147-M274 HydrophobicContact CZ-SD 3.87Å; T224-M274 HydrophobicContact CG2-CB 4.42Å; T224-M274 HydrophobicContact CG2-CG 3.91Å; T224-M274 HydrophobicContact CG2-SD 4.17Å; L227-M274 HydrophobicContact CB-SD 3.9Å; L231-M274 HydrophobicContact CB-CE 3.89Å; L231-M274 HydrophobicContact CD2-CE 3.48Å; L231-M274 VanDerWaalsContact CD2-CE 3.48Å; L231-M274 HydrophobicContact CG-CE 4.33Å; L270-M274 HydrophobicContact CD1-CG 4.43Å; L270-M274 HydrophobicContact CD2-CE 4.5Å; L270-M274 HydrophobicContact CG-CE 3.99Å; L270-M274 PolarHBondContact O-N 3.29Å; I271-M274 PolarHBondContact O-N 2.93Å; M274-M276 VanDerWaalsContact C-N 3.29Å; M274-M276 PolarHBondContact O-N 2.86Å; M274-R282 VanDerWaalsContact O-CD 3.25Å; M274-R282 WeakPolarHBondContact O-CD 3.44Å; M274-R282 WeakPolarHBondContact O-CG 3.33Å; M274-A283 HydrophobicContact CG-CB 4.23Å; M274-V288 HydrophobicContact CG-CG2 3.68Å; M274-V288 HydrophobicContact SD-CG1 4Å; M274-V288 HydrophobicContact SD-CG2 3.68Å
275	L	98.1	Very high	97.2	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.031	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	25.3	176.4	-62.3	-178.9	0	0	0	113.7	W225 V229 Y258 I271	W225-L275 HydrophobicContact CD2-CD2 3.82Å; W225-L275 HydrophobicContact CE3-CD2 4.04Å; W225-L275 HydrophobicContact CG-CD2 4.33Å; W225-L275 HydrophobicContact CH2-CD2 4.42Å; W225-L275 HydrophobicContact CZ2-CD2 4.2Å; W225-L275 VanDerWaalsContact CZ3-C 3.5Å; W225-L275 HydrophobicContact CZ3-CB 4.28Å; W225-L275 HydrophobicContact CZ3-CD2 4.34Å; W225-L275 WeakPolarHBondContact CZ3-O 3.2Å; V229-L275 HydrophobicContact CG2-CD2 3.91Å; Y258-L275 HydrophobicContact CD1-CB 4.49Å; Y258-L275 HydrophobicContact CD1-CD1 4.02Å; Y258-L275 HydrophobicContact CE1-CB 4.25Å; Y258-L275 HydrophobicContact CE1-CD1 4.12Å; Y258-L275 HydrophobicContact CG-CD1 4.24Å; I271-L275 HydrophobicContact CG2-CD1 3.8Å; I271-L275 HydrophobicContact CG2-CG 4.4Å; I271-L275 WeakPolarHBondContact O-CB 3.17Å; I271-L275 WeakPolarHBondContact O-CG 3.26Å; I271-L275 PolarHBondContact O-N 2.94Å
276	M	98	Very high	97.4	Very high	50 Å²	50	53.7 Å²	53.7	25%	0.246	27%	0.265	C	S	.	.			trans	-75	126.9	171.3	-72.9	-164.7	62.2	0	0	111.5	R272 W273 M274 N278 R281 R282	R272-M276 VanDerWaalsContact O-CG 3.26Å; R272-M276 WeakPolarHBondContact O-CG 3.23Å; W273-M276 PolarHBondContact O-N 3.24Å; M274-M276 VanDerWaalsContact C-N 3.29Å; M274-M276 PolarHBondContact O-N 2.86Å; M276-N278 PolarHBondContact O-N 3.43Å; M276-R281 HydrophobicContact CE-CB 3.67Å; M276-R281 HydrophobicContact SD-CB 4.44Å; M276-R282 HydrophobicContact CB-CB 4.36Å; M276-R282 PolarHBondContact O-NE 3.27Å; M276-R282 PolarHBondContact O-NH2 2.89Å
277	V	97.8	Very high	97.5	Very high	51 Å²	51	52.9 Å²	52.9	31%	0.309	26%	0.258	S	S	.	.	S	Bend	trans	-62.1	-44.5	-175.7	176.7	0	0	0	0	112.5	P209 G256 P279 R282	P209-V277 HydrophobicContact CB-CG1 4Å; P209-V277 HydrophobicContact CG-CB 4.42Å; P209-V277 HydrophobicContact CG-CG1 4.09Å; P209-V277 HydrophobicContact CG-CG2 4.44Å; G256-V277 VanDerWaalsContact CA-CG2 3.47Å; G256-V277 VanDerWaalsContact N-CG2 3.29Å; V277-P279 WeakPolarHBondContact O-CD 3.29Å; V277-R282 PolarHBondContact O-NH2 3.33Å; V277-R282 VanDerWaalsContact O-NH2 3.09Å
278	N	97.4	Very high	97.6	Very high	81 Å²	81	52.9 Å²	52.9	43%	0.433	26%	0.258	S	S	.	.	S	Bend	trans	-73.5	115.3	175.8	-179.5	-3.6	0	0	0	109.7	M276 E280 R281 R282	M276-N278 PolarHBondContact O-N 3.43Å; N278-E280 VanDerWaalsContact C-N 3.31Å; N278-E280 PolarHBondContact O-N 3.15Å; N278-E280 PolarHBondContact OD1-N 3.46Å; N278-E280 VanDerWaalsContact OD1-N 3.11Å; N278-R281 HydrophobicContact CB-CB 4.44Å; N278-R281 PolarHBondContact O-N 3.01Å; N278-R281 VanDerWaalsContact O-N 3.08Å; N278-R282 PolarHBondContact O-N 2.89Å; N278-R282 VanDerWaalsContact O-N 3.13Å
279	P	96.4	Very high	97.7	Very high	43 Å²	43	50.2 Å²	50.2	28%	0.279	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-62.5	-35.5	-177.8	26	-34.9	0	0	0	112.8	E221 V277 R281 R282	E221-P279 HydrophobicContact CB-CB 4.09Å; E221-P279 HydrophobicContact CG-CB 3.77Å; V277-P279 WeakPolarHBondContact O-CD 3.29Å; P279-R281 PolarHBondContact O-N 3.21Å; P279-R282 WeakPolarHBondContact O-CB 3.35Å; P279-R282 PolarHBondContact O-N 3.07Å
280	E	95.5	Very high	97.6	Very high	135 Å²	135	50.9 Å²	50.9	63%	0.631	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-70.5	1.5	177.7	-55.6	-69.6	163.4	0	0	113.1	R218 N278	R218-E280 IonicContact NE-OE1 2.69Å; R218-E280 IonicContact NH2-OE1 3.62Å; N278-E280 VanDerWaalsContact C-N 3.31Å; N278-E280 PolarHBondContact O-N 3.15Å; N278-E280 PolarHBondContact OD1-N 3.46Å; N278-E280 VanDerWaalsContact OD1-N 3.11Å
281	R	97.3	Very high	97.6	Very high	167 Å²	167	52.2 Å²	52.2	63%	0.63	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-127.1	-2	171	-64.5	-173.3	64.2	-166.4	-1.4	113.3	W273 M276 N278 P279	W273-R281 PolarHBondContact NE1-O 3.48Å; M276-R281 HydrophobicContact CE-CB 3.67Å; M276-R281 HydrophobicContact SD-CB 4.44Å; N278-R281 HydrophobicContact CB-CB 4.44Å; N278-R281 PolarHBondContact O-N 3.01Å; N278-R281 VanDerWaalsContact O-N 3.08Å; P279-R281 PolarHBondContact O-N 3.21Å
282	R	98.4	Very high	97.5	Very high	9 Å²	9	58.6 Å²	58.6	3%	0.034	28%	0.277	C	S	.	.	S	Bend	trans	-72.9	148.8	176.1	-163.7	179.6	-60.5	154.7	7.7	108.5	E210 E221 M274 M276 V277 N278 P279 T284	E210-R282 IonicContact OE1-CZ 3.68Å; E210-R282 IonicContact OE1-NH1 3.27Å; E210-R282 PolarHBondContact OE1-NH1 3.27Å; E210-R282 IonicContact OE1-NH2 2.64Å; E210-R282 PolarHBondContact OE1-NH2 3.39Å; E210-R282 IonicContact OE2-CZ 3.62Å; E210-R282 IonicContact OE2-NH1 2.99Å; E210-R282 IonicContact OE2-NH2 3.22Å; E210-R282 PolarHBondContact OE2-NH2 2.96Å; E221-R282 WeakPolarHBondContact O-CD 3.43Å; E221-R282 PolarHBondContact O-NH1 3.27Å; M274-R282 VanDerWaalsContact O-CD 3.25Å; M274-R282 WeakPolarHBondContact O-CD 3.44Å; M274-R282 WeakPolarHBondContact O-CG 3.33Å; M276-R282 HydrophobicContact CB-CB 4.36Å; M276-R282 PolarHBondContact O-NE 3.27Å; M276-R282 PolarHBondContact O-NH2 2.89Å; V277-R282 PolarHBondContact O-NH2 3.33Å; V277-R282 VanDerWaalsContact O-NH2 3.09Å; N278-R282 PolarHBondContact O-N 2.89Å; N278-R282 VanDerWaalsContact O-N 3.13Å; P279-R282 WeakPolarHBondContact O-CB 3.35Å; P279-R282 PolarHBondContact O-N 3.07Å; R282-T284 PolarHBondContact O-N 3.01Å
283	A	98.3	Very high	97.5	Very high	2 Å²	2	50.5 Å²	50.5	2%	0.017	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-55.9	138.3	174.9	0	0	0	0	0	110.5	T224 W273 M274 V288	T224-A283 HydrophobicContact CG2-CB 4.48Å; T224-A283 WeakPolarHBondContact CG2-O 3.24Å; W273-A283 HydrophobicContact CB-CB 4.39Å; W273-A283 HydrophobicContact CD2-CB 3.68Å; W273-A283 HydrophobicContact CE3-CB 4.17Å; W273-A283 HydrophobicContact CG-CB 3.76Å; W273-A283 HydrophobicContact CZ2-CB 4.49Å; W273-A283 PolarHBondContact O-N 3.05Å; M274-A283 HydrophobicContact CG-CB 4.23Å; A283-V288 HydrophobicContact CB-CG2 3.71Å
284	T	97.9	Very high	97.5	Very high	63 Å²	63	46.6 Å²	46.6	39%	0.387	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-77.4	160.9	163.8	57.8	0	0	0	0	110.5	R282 E286 E287 V288	R282-T284 PolarHBondContact O-N 3.01Å; T284-E286 PolarHBondContact O-N 2.97Å; T284-E287 WeakPolarHBondContact CB-OE2 3.26Å; T284-E287 WeakPolarHBondContact CG2-OE2 3.32Å; T284-E287 PolarHBondContact N-OE2 2.91Å; T284-E287 PolarHBondContact O-N 3.03Å; T284-E287 WeakPolarHBondContact OG1-CB 3.49Å; T284-E287 VanDerWaalsContact OG1-CD 3.25Å; T284-E287 VanDerWaalsContact OG1-CG 3.22Å; T284-E287 WeakPolarHBondContact OG1-CG 3.17Å; T284-E287 PolarHBondContact OG1-N 3.49Å; T284-E287 PolarHBondContact OG1-OE2 2.63Å; T284-V288 WeakPolarHBondContact O-CG2 3.35Å; T284-V288 PolarHBondContact O-N 2.94Å
285	I	97.6	Very high	97.4	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-64	-31.6	178.6	-168.4	62.1	0	0	0	111.5	V151 V154 H155 H158 L227 V288 A289	V151-I285 HydrophobicContact CG1-CD1 4.08Å; V154-I285 HydrophobicContact CB-CD1 4.2Å; V154-I285 HydrophobicContact CG1-CD1 3.94Å; V154-I285 HydrophobicContact CG1-CG1 4.27Å; H155-I285 HydrophobicContact CB-CG1 3.83Å; H158-I285 HydrophobicContact CB-CG2 4.16Å; H158-I285 WeakPolarHBondContact ND1-CG2 3.37Å; L227-I285 HydrophobicContact CD1-CD1 3.56Å; I285-V288 PolarHBondContact O-N 3.34Å; I285-A289 VanDerWaalsContact O-CB 3.23Å; I285-A289 WeakPolarHBondContact O-CB 3.49Å; I285-A289 PolarHBondContact O-N 2.83Å
286	E	96.9	Very high	97.3	Very high	79 Å²	79	55.6 Å²	55.6	37%	0.369	27%	0.268	S	S	.	.	H	α-helix	trans	-65.9	-42.2	173.9	-65	87.6	163.9	0	0	112.2	T284 A289 G290 L303	T284-E286 PolarHBondContact O-N 2.97Å; E286-A289 PolarHBondContact O-N 2.9Å; E286-G290 PolarHBondContact O-N 3.23Å; E286-L303 HydrophobicContact CB-CD1 4.22Å; E286-L303 WeakPolarHBondContact O-CD1 3.41Å
287	E	97.9	Very high	97.1	Very high	81 Å²	81	56.8 Å²	56.8	38%	0.379	29%	0.293	S	S	.	.	H	α-helix	trans	-66.7	-40.3	174.8	-75.1	165.2	133	0	0	112.4	W273 T284 A289 G290 H291	W273-E287 HydrophobicContact CH2-CB 3.61Å; W273-E287 HydrophobicContact CH2-CG 3.79Å; W273-E287 HydrophobicContact CZ2-CB 4.1Å; W273-E287 VanDerWaalsContact CZ2-CD 3.45Å; W273-E287 HydrophobicContact CZ2-CG 4.11Å; W273-E287 VanDerWaalsContact CZ2-OE1 3.26Å; W273-E287 WeakPolarHBondContact CZ2-OE1 3.27Å; W273-E287 HydrophobicContact CZ3-CB 4.09Å; T284-E287 WeakPolarHBondContact CB-OE2 3.26Å; T284-E287 WeakPolarHBondContact CG2-OE2 3.32Å; T284-E287 PolarHBondContact N-OE2 2.91Å; T284-E287 PolarHBondContact O-N 3.03Å; T284-E287 WeakPolarHBondContact OG1-CB 3.49Å; T284-E287 VanDerWaalsContact OG1-CD 3.25Å; T284-E287 VanDerWaalsContact OG1-CG 3.22Å; T284-E287 WeakPolarHBondContact OG1-CG 3.17Å; T284-E287 PolarHBondContact OG1-N 3.49Å; T284-E287 PolarHBondContact OG1-OE2 2.63Å; E287-A289 VanDerWaalsContact C-N 3.35Å; E287-G290 PolarHBondContact O-N 2.98Å; E287-H291 PolarHBondContact O-N 3.2Å
288	V	98.4	Very high	96.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-45.2	173	174.8	0	0	0	0	110.4	F147 V151 T224 L270 M274 A283 T284 I285 G290 H291 L294	F147-V288 HydrophobicContact CE1-CG1 3.99Å; F147-V288 HydrophobicContact CZ-CG1 4.27Å; V151-V288 HydrophobicContact CG1-CG1 4.2Å; V151-V288 HydrophobicContact CG2-CG1 3.76Å; T224-V288 HydrophobicContact CG2-CG2 3.9Å; L270-V288 HydrophobicContact CD1-CB 4.47Å; L270-V288 HydrophobicContact CD1-CG1 4.37Å; L270-V288 HydrophobicContact CD1-CG2 4.14Å; M274-V288 HydrophobicContact CG-CG2 3.68Å; M274-V288 HydrophobicContact SD-CG1 4Å; M274-V288 HydrophobicContact SD-CG2 3.68Å; A283-V288 HydrophobicContact CB-CG2 3.71Å; T284-V288 WeakPolarHBondContact O-CG2 3.35Å; T284-V288 PolarHBondContact O-N 2.94Å; I285-V288 PolarHBondContact O-N 3.34Å; V288-G290 PolarHBondContact O-N 2.69Å; V288-H291 WeakPolarHBondContact O-CB 3.13Å; V288-H291 PolarHBondContact O-N 3.48Å; V288-L294 WeakPolarHBondContact O-CD2 3.38Å
289	A	97.4	Very high	96.5	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65.4	-35	178.8	0	0	0	0	0	113.4	V151 I285 E286 E287 N295 L302 L303	V151-A289 HydrophobicContact CG1-CB 3.86Å; I285-A289 VanDerWaalsContact O-CB 3.23Å; I285-A289 WeakPolarHBondContact O-CB 3.49Å; I285-A289 PolarHBondContact O-N 2.83Å; E286-A289 PolarHBondContact O-N 2.9Å; E287-A289 VanDerWaalsContact C-N 3.35Å; A289-N295 PolarHBondContact O-ND2 3.31Å; A289-L302 HydrophobicContact CB-CD2 3.84Å; A289-L303 HydrophobicContact CB-CD1 3.95Å; A289-L303 HydrophobicContact CB-CD2 3.88Å; A289-L303 HydrophobicContact CB-CG 3.67Å
290	G	96.1	Very high	96.1	Very high	46 Å²	46	68.1 Å²	68.1	47%	0.474	33%	0.333	S	S	.	.	H	α-helix	trans	-79	-15.8	174.6	0	0	0	0	0	114.9	E286 E287 V288 W292 N295	E286-G290 PolarHBondContact O-N 3.23Å; E287-G290 PolarHBondContact O-N 2.98Å; V288-G290 PolarHBondContact O-N 2.69Å; G290-W292 PolarHBondContact O-N 3.39Å; G290-N295 PolarHBondContact O-ND2 3.45Å
291	H	97.6	Very high	95.8	Very high	27 Å²	27	65.4 Å²	65.4	13%	0.125	33%	0.327	C	S	.	.			trans	-61.1	137.1	-171.8	-171	-94.7	0	0	0	113	L270 E287 V288 W293 L294 N295	L270-H291 HydrophobicContact CD1-CB 3.99Å; L270-H291 HydrophobicContact CD2-CB 4.3Å; E287-H291 PolarHBondContact O-N 3.2Å; V288-H291 WeakPolarHBondContact O-CB 3.13Å; V288-H291 PolarHBondContact O-N 3.48Å; H291-W293 VanDerWaalsContact C-N 3.29Å; H291-W293 WeakPolarHBondContact ND1-CB 3.25Å; H291-W293 PolarHBondContact ND1-N 3.19Å; H291-W293 PolarHBondContact O-N 3.46Å; H291-L294 PolarHBondContact O-N 3.11Å; H291-N295 PolarHBondContact O-N 3.37Å; H291-N295 PolarHBondContact O-ND2 2.81Å
292	W	96.7	Very high	95.4	Very high	136 Å²	136	58.9 Å²	58.9	52%	0.515	31%	0.305	S	S	.	.	H	α-helix	trans	-53.4	-43.3	-174.5	67.4	-90.9	0	0	0	112.8	D266 G290 L294 N295 W296	D266-W292 HydrophobicContact CB-CH2 3.98Å; G290-W292 PolarHBondContact O-N 3.39Å; W292-L294 VanDerWaalsContact C-N 3.27Å; W292-L294 PolarHBondContact O-N 3.22Å; W292-N295 CarbonylContact O-C 3.41Å; W292-N295 PolarHBondContact O-N 3.04Å; W292-N295 VanDerWaalsContact O-N 3.08Å; W292-W296 HydrophobicContact CE3-CE3 4.43Å; W292-W296 PolarHBondContact O-N 2.96Å
293	W	97.7	Very high	94.8	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-33.1	-178.9	-179.2	95.8	0	0	0	112.8	E140 R144 F147 L231 V235 D266 A267 L270 H291 N295	E140-W293 HydrophobicContact CG-CZ2 3.97Å; E140-W293 PolarHBondContact OE1-NE1 2.94Å; R144-W293 VanDerWaalsContact CA-CH2 3.46Å; R144-W293 HydrophobicContact CB-CH2 3.65Å; R144-W293 HydrophobicContact CB-CZ2 3.95Å; R144-W293 HydrophobicContact CB-CZ3 4.05Å; R144-W293 WeakPolarHBondContact CD-O 3.16Å; R144-W293 HydrophobicContact CG-CE3 4.42Å; R144-W293 HydrophobicContact CG-CH2 4.23Å; R144-W293 HydrophobicContact CG-CZ3 4.13Å; R144-W293 PolarHBondContact NE-O 2.85Å; R144-W293 VanDerWaalsContact NH2-NE1 3.13Å; F147-W293 HydrophobicContact CD1-CZ3 4.08Å; L231-W293 HydrophobicContact CD1-CH2 3.54Å; L231-W293 HydrophobicContact CD1-CZ2 4.38Å; L231-W293 HydrophobicContact CD1-CZ3 3.81Å; L231-W293 HydrophobicContact CD2-CZ3 4.34Å; V235-W293 HydrophobicContact CG1-CZ2 4.23Å; D266-W293 VanDerWaalsContact C-CD1 3.45Å; A267-W293 HydrophobicContact CB-CD2 4.06Å; A267-W293 HydrophobicContact CB-CG 4.5Å; A267-W293 HydrophobicContact CB-CH2 4.36Å; A267-W293 HydrophobicContact CB-CZ2 3.77Å; L270-W293 HydrophobicContact CD2-CE3 4.16Å; H291-W293 VanDerWaalsContact C-N 3.29Å; H291-W293 WeakPolarHBondContact ND1-CB 3.25Å; H291-W293 PolarHBondContact ND1-N 3.19Å; H291-W293 PolarHBondContact O-N 3.46Å; W293-N295 VanDerWaalsContact C-N 3.29Å
294	L	97.3	Very high	93.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-75.8	-22.7	179.9	-161.5	72.7	0	0	0	112.7	F147 R148 V151 V288 H291 W292 L302	F147-L294 HydrophobicContact CD1-CD1 3.45Å; F147-L294 VanDerWaalsContact CD1-CD1 3.45Å; F147-L294 HydrophobicContact CE1-CD1 4.06Å; F147-L294 HydrophobicContact CG-CD1 4.42Å; R148-L294 HydrophobicContact CB-CD1 4.05Å; R148-L294 HydrophobicContact CB-CG 4.2Å; R148-L294 HydrophobicContact CG-CG 4.31Å; R148-L294 PolarHBondContact NH1-O 3.15Å; V151-L294 HydrophobicContact CB-CD2 4.03Å; V151-L294 HydrophobicContact CG1-CD2 3.76Å; V151-L294 HydrophobicContact CG2-CD2 4.22Å; V288-L294 WeakPolarHBondContact O-CD2 3.38Å; H291-L294 PolarHBondContact O-N 3.11Å; W292-L294 VanDerWaalsContact C-N 3.27Å; W292-L294 PolarHBondContact O-N 3.22Å; L294-L302 HydrophobicContact CD2-CD1 3.92Å
295	N	96.8	Very high	90.9	Very high	24 Å²	24	69.3 Å²	69.3	13%	0.128	36%	0.361	C	S	.	.	H	α-helix	trans	-103.6	-10.5	-175.5	-64	-69.6	0	0	0	112.5	R148 A289 G290 H291 W292 W293 G297 Y298 P301 L302	R148-N295 PolarHBondContact NH1-OD1 3.25Å; A289-N295 PolarHBondContact O-ND2 3.31Å; G290-N295 PolarHBondContact O-ND2 3.45Å; H291-N295 PolarHBondContact O-N 3.37Å; H291-N295 PolarHBondContact O-ND2 2.81Å; W292-N295 CarbonylContact O-C 3.41Å; W292-N295 PolarHBondContact O-N 3.04Å; W292-N295 VanDerWaalsContact O-N 3.08Å; W293-N295 VanDerWaalsContact C-N 3.29Å; N295-G297 PolarHBondContact O-N 2.75Å; N295-Y298 PolarHBondContact O-N 3.08Å; N295-P301 WeakPolarHBondContact OD1-CA 3.26Å; N295-L302 PolarHBondContact OD1-N 3Å
296	W	96.1	Very high	88.5	Confident	171 Å²	171	78.8 Å²	78.8	65%	0.648	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	123.6	176.6	-170.5	-93.1	0	0	0	112.1	R144 W292	R144-W296 VanDerWaalsContact CD-O 3.29Å; R144-W296 WeakPolarHBondContact CD-O 3.43Å; W292-W296 HydrophobicContact CE3-CE3 4.43Å; W292-W296 PolarHBondContact O-N 2.96Å
297	G	94	Very high	85.6	Confident	75 Å²	75	82.9 Å²	82.9	77%	0.773	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	-3.2	-176.7	0	0	0	0	0	115.6	N295	N295-G297 PolarHBondContact O-N 2.75Å
298	Y	93.5	Very high	82.6	Confident	69 Å²	69	84.5 Å²	84.5	27%	0.271	42%	0.424	S	S	.	.			trans	-103	134.8	178	-68.5	-93.2	0	0	0	111.4	R144 H145 R148 N295 Q300	R144-Y298 HydrophobicContact CG-CE2 4.37Å; H145-Y298 PolarHBondContact ND1-OH 3.13Å; R148-Y298 VanDerWaalsContact CD-CZ 3.49Å; N295-Y298 PolarHBondContact O-N 3.08Å; Y298-Q300 VanDerWaalsContact C-N 3.27Å; Y298-Q300 PolarHBondContact O-N 3.47Å
299	Q	87.9	Confident	79.4	Confident	203 Å²	203	90.1 Å²	90.1	95%	0.949	46%	0.463	S	S	*	.	S	Bend	trans	-67.9	-24.9	179.9	-67.1	-179.1	-8.4	0	0	113.7
300	Q	88.2	Confident	76.5	Confident	140 Å²	140	97.2 Å²	97.2	65%	0.654	50%	0.501	S	S	*	.	S	Bend	trans	-125.5	135.3	177.5	-64.9	-174.8	4.2	0	0	109.9	R148 Y298	R148-Q300 PolarHBondContact NH2-O 3.04Å; Y298-Q300 VanDerWaalsContact C-N 3.27Å; Y298-Q300 PolarHBondContact O-N 3.47Å
301	P	89.1	Confident	73.6	Confident	78 Å²	78	101 Å²	101	51%	0.506	52%	0.515	S	S	.	.			trans	-59.8	154.7	170.4	-23.3	34.5	0	0	0	112.2	N295 L303	N295-P301 WeakPolarHBondContact OD1-CA 3.26Å; P301-L303 VanDerWaalsContact C-N 3.3Å; P301-L303 PolarHBondContact O-N 3.02Å
302	L	89.1	Confident	70.9	Confident	31 Å²	31	108.6 Å²	108.6	16%	0.162	55%	0.55	C	S	.	*	S	Bend	trans	-62.7	-41.3	177.9	-169.9	155.1	0	0	0	110.9	R148 V151 A289 L294 N295 C304	R148-L302 HydrophobicContact CG-CD1 3.84Å; R148-L302 VanDerWaalsContact O-CD1 3.25Å; R148-L302 WeakPolarHBondContact O-CD1 3.35Å; V151-L302 HydrophobicContact CB-CD1 4.26Å; V151-L302 HydrophobicContact CG1-CD1 4Å; A289-L302 HydrophobicContact CB-CD2 3.84Å; L294-L302 HydrophobicContact CD2-CD1 3.92Å; N295-L302 PolarHBondContact OD1-N 3Å; L302-C304 PolarHBondContact O-N 2.78Å
303	L	85.9	Confident	67.9	Low	53 Å²	53	111.1 Å²	111.1	28%	0.277	57%	0.568	S	S	.	*	S	Bend	trans	-88.1	95	165.5	-55.5	-176	0	0	0	108.6	H155 E286 A289 P301 E305	H155-L303 WeakPolarHBondContact CE1-CD2 3.26Å; E286-L303 HydrophobicContact CB-CD1 4.22Å; E286-L303 WeakPolarHBondContact O-CD1 3.41Å; A289-L303 HydrophobicContact CB-CD1 3.95Å; A289-L303 HydrophobicContact CB-CD2 3.88Å; A289-L303 HydrophobicContact CB-CG 3.67Å; P301-L303 VanDerWaalsContact C-N 3.3Å; P301-L303 PolarHBondContact O-N 3.02Å; L303-E305 PolarHBondContact O-N 3.2Å
304	C	66.7	Low	64.7	Low	100 Å²	100	117.2 Å²	117.2	68%	0.676	61%	0.605	S	S	*	*			trans	-62.3	123.7	162.6	-174.8	0	0	0	0	108.3	L302 R306	L302-C304 PolarHBondContact O-N 2.78Å; C304-R306 PolarHBondContact O-N 3.09Å
305	E	48.1	Very low	61.8	Low	140 Å²	140	122.9 Å²	122.9	65%	0.654	64%	0.644	S	S	*	*			trans	-58	113.4	175.4	-69.6	-175.3	151.3	0	0	109.3	L303 K307	L303-E305 PolarHBondContact O-N 3.2Å; E305-K307 HydrophobicContact CB-CG 4.05Å; E305-K307 PolarHBondContact O-N 3.12Å; E305-K307 WeakPolarHBondContact OE2-CE 3.38Å; E305-K307 IonicContact OE2-NZ 3.7Å; E305-K307 PolarHBondContact OE2-NZ 2.73Å
306	R	47	Very low	58.7	Low	202 Å²	202	126.5 Å²	126.5	76%	0.762	67%	0.672	S	S	*	*			trans	-71.2	77.5	162.3	-171.1	-170.6	-60.1	155.5	5.1	107.9	C304 N308	C304-R306 PolarHBondContact O-N 3.09Å; R306-N308 PolarHBondContact O-N 2.75Å
307	K	35.7	Very low	55.7	Low	164 Å²	164	126.2 Å²	126.2	71%	0.713	68%	0.682	S	S	*	*			trans	-60.5	102.4	169.7	-69.1	-169.1	179.6	-175.7	0	107.4	E305 S309	E305-K307 HydrophobicContact CB-CG 4.05Å; E305-K307 PolarHBondContact O-N 3.12Å; E305-K307 WeakPolarHBondContact OE2-CE 3.38Å; E305-K307 IonicContact OE2-NZ 3.7Å; E305-K307 PolarHBondContact OE2-NZ 2.73Å; K307-S309 PolarHBondContact O-N 2.76Å
308	N	35.4	Very low	53.1	Low	116 Å²	116	130.1 Å²	130.1	62%	0.62	69%	0.691	S	S	*	*			trans	-63.2	108.7	175	-71.3	-23.6	0	0	0	107.8	R306 L310	R306-N308 PolarHBondContact O-N 2.75Å; N308-L310 PolarHBondContact O-N 2.96Å
309	S	30.4	Very low	50	Low	117 Å²	117	131.8 Å²	131.8	82%	0.818	71%	0.712	S	S	*	*			trans	-72.4	63.9	166.1	57.8	0	0	0	0	109.7	K307	K307-S309 PolarHBondContact O-N 2.76Å
310	L	37.2	Very low	47.7	Very low	150 Å²	150	128.1 Å²	128.1	79%	0.785	71%	0.709	S	S	*	*			trans	-138.5	66	173.1	-81.4	108.6	0	0	0	108.6	N308	N308-L310 PolarHBondContact O-N 2.96Å
311	T	35	Very low	44.9	Very low	126 Å²	126	126.5 Å²	126.5	77%	0.773	71%	0.714	S	S	*	*			trans	-122.6	139.1	157	41.1	0	0	0	0	107.8
312	E	41.4	Very low	42.1	Very low	185 Å²	185	129.4 Å²	129.4	86%	0.864	73%	0.725	S	S	*	*	S	Bend	trans	74.9	137.5	-175.5	-49.4	-166.9	157.1	0	0	115.8
313	Q	33.9	Very low	39.5	Very low	190 Å²	190	134.2 Å²	134.2	89%	0.888	76%	0.758	S	S	*	*	S	Bend	trans	63.9	111.7	-174.9	-54	-175.7	49.8	0	0	114.8
314	T	30.2	Very low	37.4	Very low	128 Å²	128	138.2 Å²	138.2	79%	0.785	79%	0.785	S	S	*	*			cis	-142.4	157.8	1.6	55.2	0	0	0	0	111.7
315	S	36.5	Very low	36.1	Very low	118 Å²	118	136.8 Å²	136.8	83%	0.825	79%	0.787	S	S	*	*			trans	-90.8	109.4	171.5	54.2	0	0	0	0	111.3
316	S	32.1	Very low	35.6	Very low	101 Å²	101	137.3 Å²	137.3	71%	0.706	79%	0.793	S	S	*	*			trans	172.8	167.4	144.8	53.8	0	0	0	0	112.8
317	L	31.9	Very low	36	Very low	164 Å²	164	131.4 Å²	131.4	86%	0.859	78%	0.78	S	S	*	*			trans	65	102.5	165.9	-60.2	177.4	0	0	0	118.2
318	V	39.4	Very low	37.4	Very low	157 Å²	157	126.5 Å²	126.5	95%	0.952	76%	0.764	S	S	*	*			trans	-68.3	126.2	162.9	176.5	0	0	0	0	110
319	S	29.2	Very low	39.2	Very low	104 Å²	104	121.5 Å²	121.5	73%	0.727	74%	0.737	S	S	*	*			trans	-147.2	144.8	157.4	65.6	0	0	0	0	111.1	S321	S319-S321 PolarHBondContact O-N 2.64Å
320	S	39.3	Very low	41.1	Very low	127 Å²	127	116.2 Å²	116.2	89%	0.888	70%	0.701	S	S	*	*			trans	-83.3	110.5	-173.2	54.8	0	0	0	0	111.9
321	S	30.2	Very low	42.7	Very low	106 Å²	106	111 Å²	111	74%	0.741	68%	0.677	S	S	*	*			trans	-143.8	142.2	164.4	61.1	0	0	0	0	111.4	S319	S319-S321 PolarHBondContact O-N 2.64Å
322	N	30.2	Very low	44.4	Very low	138 Å²	138	111.6 Å²	111.6	74%	0.738	67%	0.665	S	S	*	*			trans	-76.2	142.3	-178	-67.8	-45	0	0	0	111	T324	N322-T324 VanDerWaalsContact C-N 3.29Å; N322-T324 PolarHBondContact O-N 3.39Å; N322-T324 PolarHBondContact O-OG1 3.38Å
323	P	33.7	Very low	46	Very low	133 Å²	133	103 Å²	103	86%	0.864	63%	0.625	S	S	*	*			trans	-67.8	84.3	176.9	28.5	-35	0	0	0	111.5	G325	P323-G325 PolarHBondContact O-N 3.34Å
324	T	41	Very low	47.7	Very low	137 Å²	137	99.7 Å²	99.7	84%	0.84	60%	0.604	S	S	*	*			trans	-90	79.3	-174.9	-52.1	0	0	0	0	109.2	N322	N322-T324 VanDerWaalsContact C-N 3.29Å; N322-T324 PolarHBondContact O-N 3.39Å; N322-T324 PolarHBondContact O-OG1 3.38Å
325	G	40	Very low	49.2	Very low	70 Å²	70	101.8 Å²	101.8	72%	0.722	60%	0.598	S	S	*	*	S	Bend	trans	-138.8	-26.6	-168.4	0	0	0	0	0	118	P323	P323-G325 PolarHBondContact O-N 3.34Å
326	L	38.8	Very low	50.1	Low	151 Å²	151	99.3 Å²	99.3	79%	0.791	58%	0.578	S	S	*	*			trans	-146.3	107.3	174	-91	173.4	0	0	0	109.9	T328	L326-T328 PolarHBondContact O-N 2.98Å
327	T	54	Low	50.6	Low	78 Å²	78	97.6 Å²	97.6	48%	0.479	57%	0.566	S	S	.	*			trans	-76.2	106.5	170.1	-61.3	0	0	0	0	108.3	W332	T327-W332 HydrophobicContact CG2-CB 4.44Å
328	T	65.6	Low	50.9	Low	61 Å²	61	99.6 Å²	99.6	37%	0.374	56%	0.562	S	S	.	*			trans	-50.3	145.5	174.1	-48.2	0	0	0	0	111.2	Q159 N160 L326 A330 S331 W332	Q159-T328 WeakPolarHBondContact O-CG2 3.45Å; N160-T328 VanDerWaalsContact C-CG2 3.41Å; N160-T328 WeakPolarHBondContact O-CG2 3.3Å; L326-T328 PolarHBondContact O-N 2.98Å; T328-A330 VanDerWaalsContact C-N 3.31Å; T328-A330 PolarHBondContact O-N 2.81Å; T328-S331 WeakPolarHBondContact O-CA 3.23Å; T328-S331 VanDerWaalsContact O-CB 3.29Å; T328-S331 WeakPolarHBondContact O-CB 3.11Å; T328-S331 PolarHBondContact O-N 3.01Å; T328-W332 PolarHBondContact O-N 3.23Å
329	V	72.4	Confident	50.7	Low	11 Å²	11	97.2 Å²	97.2	7%	0.067	55%	0.549	C	S	.	.	H	α-helix	trans	-51.5	-45.5	179.1	156.3	0	0	0	0	112.6	S97 N160 I162 S331 W332 L333	S97-V329 WeakPolarHBondContact OG-CG1 3.45Å; N160-V329 HydrophobicContact CB-CB 3.95Å; N160-V329 HydrophobicContact CB-CG1 4.48Å; N160-V329 HydrophobicContact CB-CG2 4.45Å; N160-V329 WeakPolarHBondContact OD1-CB 3.35Å; N160-V329 WeakPolarHBondContact OD1-CG2 3.34Å; I162-V329 HydrophobicContact CD1-CG1 3.87Å; V329-S331 PolarHBondContact O-N 3.44Å; V329-W332 WeakPolarHBondContact O-CB 3.4Å; V329-W332 PolarHBondContact O-N 3.35Å; V329-W332 VanDerWaalsContact O-N 3.08Å; V329-L333 HydrophobicContact CG1-CD1 3.94Å; V329-L333 HydrophobicContact CG1-CG 4.36Å; V329-L333 WeakPolarHBondContact O-CG 3.37Å; V329-L333 PolarHBondContact O-N 2.74Å
330	A	70.8	Confident	50.9	Low	6 Å²	6	100.4 Å²	100.4	5%	0.05	56%	0.558	C	S	.	*	H	α-helix	trans	-55.2	-33.9	172.9	0	0	0	0	0	114.1	N160 L190 T328 R334	N160-A330 WeakPolarHBondContact O-CB 3.15Å; N160-A330 PolarHBondContact O-N 2.89Å; L190-A330 HydrophobicContact CD1-CB 4.23Å; L190-A330 HydrophobicContact CD2-CB 3.93Å; L190-A330 HydrophobicContact CG-CB 4.44Å; T328-A330 VanDerWaalsContact C-N 3.31Å; T328-A330 PolarHBondContact O-N 2.81Å; A330-R334 WeakPolarHBondContact O-CG 3.46Å; A330-R334 PolarHBondContact O-N 3.19Å
331	S	70.3	Confident	50.7	Low	41 Å²	41	101.3 Å²	101.3	29%	0.287	55%	0.552	S	S	.	*	H	α-helix	trans	-77.7	-31.9	177.4	-170.6	0	0	0	0	112.7	T328 V329 R335	T328-S331 WeakPolarHBondContact O-CA 3.23Å; T328-S331 VanDerWaalsContact O-CB 3.29Å; T328-S331 WeakPolarHBondContact O-CB 3.11Å; T328-S331 PolarHBondContact O-N 3.01Å; V329-S331 PolarHBondContact O-N 3.44Å; S331-R335 WeakPolarHBondContact O-CG 3.37Å; S331-R335 PolarHBondContact O-N 3.1Å
332	W	72.1	Confident	51.2	Low	138 Å²	138	104.9 Å²	104.9	52%	0.523	56%	0.557	S	S	.	*	H	α-helix	trans	-66.3	-49.1	168.5	177.3	80.2	0	0	0	111	T327 T328 V329 R334 R335 T336	T327-W332 HydrophobicContact CG2-CB 4.44Å; T328-W332 PolarHBondContact O-N 3.23Å; V329-W332 WeakPolarHBondContact O-CB 3.4Å; V329-W332 PolarHBondContact O-N 3.35Å; V329-W332 VanDerWaalsContact O-N 3.08Å; W332-R334 PolarHBondContact O-N 3.22Å; W332-R335 WeakPolarHBondContact O-CA 3.4Å; W332-R335 WeakPolarHBondContact O-CB 3.34Å; W332-R335 PolarHBondContact O-N 2.89Å; W332-T336 HydrophobicContact CD2-CG2 4.22Å; W332-T336 HydrophobicContact CH2-CG2 4.34Å; W332-T336 HydrophobicContact CZ2-CG2 3.77Å; W332-T336 PolarHBondContact O-N 3.34Å; W332-T336 PolarHBondContact O-OG1 2.91Å
333	L	74.5	Confident	51.4	Low	4 Å²	4	105.5 Å²	105.5	2%	0.021	56%	0.56	C	S	.	*	H	α-helix	trans	-54.4	-50.5	176.1	-73	173.3	0	0	0	111.5	E93 I94 L190 V329 R335 T336 S337	E93-L333 HydrophobicContact CB-CD2 3.96Å; I94-L333 HydrophobicContact CG1-CD1 4.35Å; L190-L333 HydrophobicContact CD1-CB 4.1Å; L190-L333 HydrophobicContact CD1-CD1 4.41Å; L190-L333 HydrophobicContact CD2-CD1 3.88Å; V329-L333 HydrophobicContact CG1-CD1 3.94Å; V329-L333 HydrophobicContact CG1-CG 4.36Å; V329-L333 WeakPolarHBondContact O-CG 3.37Å; V329-L333 PolarHBondContact O-N 2.74Å; L333-R335 PolarHBondContact O-N 3.04Å; L333-T336 WeakPolarHBondContact CA-OG1 3.32Å; L333-T336 PolarHBondContact O-N 2.83Å; L333-T336 PolarHBondContact O-OG1 3.04Å; L333-T336 VanDerWaalsContact O-OG1 3.06Å; L333-S337 PolarHBondContact O-N 2.58Å; L333-S337 PolarHBondContact O-OG 3.47Å
334	R	68.5	Low	51.7	Low	121 Å²	121	103 Å²	103	46%	0.457	56%	0.558	S	S	.	*	H	α-helix	trans	-60.9	-18.2	176.2	-71.8	-159	-60	-136.9	12.6	114.7	L190 A330 W332	L190-R334 HydrophobicContact CD1-CG 4.07Å; A330-R334 WeakPolarHBondContact O-CG 3.46Å; A330-R334 PolarHBondContact O-N 3.19Å; W332-R334 PolarHBondContact O-N 3.22Å
335	R	62.9	Low	51.4	Low	172 Å²	172	102 Å²	102	65%	0.649	56%	0.557	S	S	*	*	H	α-helix	trans	-85.4	-36.9	171.5	-73.1	173.3	172.7	169.8	-0.4	112.2	S331 W332 L333	S331-R335 WeakPolarHBondContact O-CG 3.37Å; S331-R335 PolarHBondContact O-N 3.1Å; W332-R335 WeakPolarHBondContact O-CA 3.4Å; W332-R335 WeakPolarHBondContact O-CB 3.34Å; W332-R335 PolarHBondContact O-N 2.89Å; L333-R335 PolarHBondContact O-N 3.04Å
336	T	55.2	Low	51.2	Low	65 Å²	65	109 Å²	109	40%	0.399	57%	0.568	S	S	.	*	H	α-helix	trans	-81	-31.9	-179.5	51	0	0	0	0	113.8	W332 L333 R338	W332-T336 HydrophobicContact CD2-CG2 4.22Å; W332-T336 HydrophobicContact CH2-CG2 4.34Å; W332-T336 HydrophobicContact CZ2-CG2 3.77Å; W332-T336 PolarHBondContact O-N 3.34Å; W332-T336 PolarHBondContact O-OG1 2.91Å; L333-T336 WeakPolarHBondContact CA-OG1 3.32Å; L333-T336 PolarHBondContact O-N 2.83Å; L333-T336 PolarHBondContact O-OG1 3.04Å; L333-T336 VanDerWaalsContact O-OG1 3.06Å; T336-R338 PolarHBondContact O-N 3.24Å
337	S	43.3	Very low	50.7	Low	65 Å²	65	110.4 Å²	110.4	46%	0.455	57%	0.572	S	S	.	*			trans	-74.8	25.6	-179.2	-45.3	0	0	0	0	114.1	E93 L333	E93-S337 PolarHBondContact OE2-OG 2.99Å; L333-S337 PolarHBondContact O-N 2.58Å; L333-S337 PolarHBondContact O-OG 3.47Å
338	R	36.9	Very low	49.5	Very low	207 Å²	207	117 Å²	117	78%	0.781	59%	0.588	S	S	*	*	S	Bend	trans	-73.8	132.5	162.1	-76.6	-169.7	172	-156.8	-1.5	108.1	T336 L340	T336-R338 PolarHBondContact O-N 3.24Å; R338-L340 PolarHBondContact O-N 2.92Å
339	P	35.5	Very low	47.8	Very low	106 Å²	106	119.5 Å²	119.5	69%	0.688	61%	0.607	S	S	*	*			trans	-61.6	113.9	-174.6	-23.7	33.6	0	0	0	112.1	L341	P339-L341 HydrophobicContact CB-CB 4.41Å; P339-L341 HydrophobicContact CB-CD1 4.29Å; P339-L341 HydrophobicContact CB-CG 4.46Å; P339-L341 PolarHBondContact O-N 3.08Å
340	L	33.5	Very low	45.7	Very low	172 Å²	172	126.2 Å²	126.2	90%	0.901	64%	0.642	S	S	*	*			trans	-82.6	62.3	170.5	-148	154.7	0	0	0	108.6	R338	R338-L340 PolarHBondContact O-N 2.92Å
341	L	36.5	Very low	43.7	Very low	146 Å²	146	134.1 Å²	134.1	76%	0.764	68%	0.682	S	S	*	*			trans	-113.3	75.6	179.8	-81.6	173.4	0	0	0	109.9	P339 N343	P339-L341 HydrophobicContact CB-CB 4.41Å; P339-L341 HydrophobicContact CB-CD1 4.29Å; P339-L341 HydrophobicContact CB-CG 4.46Å; P339-L341 PolarHBondContact O-N 3.08Å; L341-N343 PolarHBondContact O-N 2.85Å
342	E	38.7	Very low	41.6	Very low	180 Å²	180	142.4 Å²	142.4	84%	0.841	71%	0.707	S	S	*	*			trans	-70	83.7	151.5	-74.7	-163.7	126.7	0	0	108.8
343	N	36.3	Very low	39.6	Very low	152 Å²	152	140.7 Å²	140.7	81%	0.813	72%	0.716	S	S	*	*	S	Bend		175.3	119.3	124.4	-87.4	-33.3	0	0	0	112	L341	L341-N343 PolarHBondContact O-N 2.85Å
344	G	39.5	Very low	37.3	Very low	79 Å²	79	148.6 Å²	148.6	81%	0.814	75%	0.753	S	S	*	*	S	Bend	trans	72.3	41.8	140.4	0	0	0	0	0	120.6
345	S	35	Very low	35.5	Very low	118 Å²	118	149.1 Å²	149.1	83%	0.825	77%	0.77	S	S	*	*			trans	-158.1	133.7	154.6	-91.8	0	0	0	0	114.5	M347	S345-M347 PolarHBondContact O-N 3.37Å; S345-M347 VanDerWaalsContact O-N 3.13Å
346	K	34.5	Very low	33.9	Very low	217 Å²	217	144.5 Å²	144.5	94%	0.943	78%	0.775	S	S	*	*			trans	-87.6	63.8	-172.9	-70.5	177.6	178.6	169.1	0	113.4	R348	K346-R348 PolarHBondContact O-N 3.4Å
347	M	29.6	Very low	32.6	Very low	179 Å²	179	145.4 Å²	145.4	88%	0.882	80%	0.798	S	S	*	*			trans	-77.7	104.4	167.4	-86.3	-62.7	-164.2	0	0	111.1	S345 C349	S345-M347 PolarHBondContact O-N 3.37Å; S345-M347 VanDerWaalsContact O-N 3.13Å; M347-C349 PolarHBondContact O-N 3.46Å
348	R	27.3	Very low	31.8	Very low	217 Å²	217	146 Å²	146	82%	0.819	81%	0.813	S	S	*	*			trans	-91.4	84.5	-179	-171.3	-168.2	-69.4	-172.3	-1.7	111.1	K346 L350	K346-R348 PolarHBondContact O-N 3.4Å; R348-L350 PolarHBondContact O-N 2.79Å
349	C	29.7	Very low	31.2	Very low	113 Å²	113	145.6 Å²	145.6	76%	0.764	82%	0.82	S	S	*	*			trans	-58.2	122.8	171	-70.2	0	0	0	0	111.3	M347 L351	M347-C349 PolarHBondContact O-N 3.46Å; C349-L351 VanDerWaalsContact C-N 3.28Å; C349-L351 PolarHBondContact O-N 3.09Å
350	L	29.1	Very low	31.3	Very low	153 Å²	153	148.3 Å²	148.3	80%	0.801	83%	0.827	S	S	*	*			trans	-84.1	60.1	-177.5	-68.4	175.1	0	0	0	112.8	R348 R352	R348-L350 PolarHBondContact O-N 2.79Å; L350-R352 VanDerWaalsContact C-N 3.26Å; L350-R352 PolarHBondContact O-N 3.38Å
351	L	29.4	Very low	31	Very low	171 Å²	171	146.6 Å²	146.6	90%	0.895	82%	0.824	S	S	*	*			trans	-86.6	67.7	163.5	-82.1	167.6	0	0	0	110.2	C349 S353	C349-L351 VanDerWaalsContact C-N 3.28Å; C349-L351 PolarHBondContact O-N 3.09Å; L351-S353 PolarHBondContact O-N 2.69Å
352	R	26.6	Very low	30.7	Very low	215 Å²	215	151 Å²	151	81%	0.811	83%	0.831	S	S	*	*			trans	-83	98.5	171.2	-171.1	178.4	-171.1	178.2	2.5	109.2	L350 Q354	L350-R352 VanDerWaalsContact C-N 3.26Å; L350-R352 PolarHBondContact O-N 3.38Å; R352-Q354 PolarHBondContact O-N 2.57Å
353	S	28.6	Very low	30.1	Very low	103 Å²	103	151.5 Å²	151.5	72%	0.72	83%	0.833	S	S	*	*			trans	-57	128.6	164	-178.3	0	0	0	0	109.5	L351	L351-S353 PolarHBondContact O-N 2.69Å
354	Q	27.6	Very low	29.6	Very low	170 Å²	170	155.6 Å²	155.6	79%	0.794	84%	0.837	S	S	*	*			trans	-127.9	102.3	175.7	-174.1	164.7	-13.4	0	0	108.7	R352	R352-Q354 PolarHBondContact O-N 2.57Å
355	V	29.8	Very low	29.1	Very low	132 Å²	132	157.1 Å²	157.1	80%	0.8	84%	0.835	S	S	*	*			trans	-90.3	122.2	-179.9	178	0	0	0	0	109.2
356	G	29.3	Very low	28.8	Very low	74 Å²	74	159.7 Å²	159.7	76%	0.763	84%	0.839	S	S	*	*	S	Bend	trans	75.5	103.3	151.2	0	0	0	0	0	119.3
357	G	27.7	Very low	28.5	Very low	85 Å²	85	159.5 Å²	159.5	88%	0.876	83%	0.832	S	S	*	*			trans	86.9	151.7	142.9	0	0	0	0	0	118.8
358	G	26.9	Very low	28.3	Very low	76 Å²	76	162 Å²	162	78%	0.784	83%	0.832	S	S	*	*			trans	111.6	82.1	160.5	0	0	0	0	0	117.9
359	E	24.8	Very low	28.3	Very low	199 Å²	199	157.1 Å²	157.1	93%	0.93	83%	0.831	S	S	*	*			trans	59.1	166.5	143.1	-118.2	178.2	162.2	0	0	122.7
360	I	37.4	Very low	28.2	Very low	163 Å²	163	159.7 Å²	159.7	84%	0.836	83%	0.831	S	S	*	*			trans	-109.4	112.6	-175	-60.1	170.4	0	0	0	109.8
361	V	26.8	Very low	28.2	Very low	136 Å²	136	161.9 Å²	161.9	82%	0.824	84%	0.835	S	S	*	*			trans	-130.6	133.5	162.7	-178.7	0	0	0	0	110.9
362	R	29.6	Very low	28.2	Very low	240 Å²	240	161.3 Å²	161.3	91%	0.906	83%	0.827	S	S	*	*			trans	-107.5	116.2	-173.8	177.5	-168.8	-166.4	176.3	6.3	109.4
363	Q	27.2	Very low	28.5	Very low	190 Å²	190	159 Å²	159	89%	0.888	83%	0.831	S	S	*	*			trans	-138.1	171.4	172.5	-117.2	-179.1	4.5	0	0	114.9
364	R	25.9	Very low	28.4	Very low	237 Å²	237	161.2 Å²	161.2	89%	0.894	84%	0.835	S	S	*	*			trans	-105.7	157.5	-149.7	-71.9	174.1	168.5	154.1	-6	114
365	S	28.3	Very low	28.5	Very low	112 Å²	112	159.6 Å²	159.6	78%	0.783	84%	0.836	S	S	*	*			trans	-48	144.5	162.2	55	0	0	0	0	114.4
366	L	28.4	Very low	28.4	Very low	172 Å²	172	158.1 Å²	158.1	90%	0.901	83%	0.832	S	S	*	*			trans	-139.8	173.5	151	-108.9	173.5	0	0	0	111.4
367	R	27.8	Very low	28.4	Very low	212 Å²	212	163 Å²	163	80%	0.8	84%	0.835	S	S	*	*			trans	-103	159.8	-155.8	-72	175.4	163.1	-177.4	-4.4	115
368	R	26.6	Very low	28.4	Very low	232 Å²	232	165 Å²	165	88%	0.875	83%	0.83	S	S	*	*			trans	21.7	133.3	139.6	-61.5	178.3	174.9	179.4	-4.2	118.4
369	S	26.5	Very low	28.5	Very low	114 Å²	114	168.3 Å²	168.3	80%	0.797	84%	0.835	S	S	*	*				-163.3	165.6	97.7	-153.8	0	0	0	0	113.2
370	Q	28.4	Very low	28.6	Very low	167 Å²	167	165.7 Å²	165.7	78%	0.78	83%	0.827	S	S	*	*			trans	-80.4	156.1	169.1	-58.5	145.5	-86.6	0	0	110.9
371	K	28.5	Very low	28.1	Very low	200 Å²	200	166.5 Å²	166.5	87%	0.87	83%	0.827	S	S	*	*				-154.7	156.1	123	-158.9	154.5	-174.3	176.1	0	110.9
372	E	30	Very low	28	Very low	159 Å²	159	165.3 Å²	165.3	74%	0.743	82%	0.82	S	S	*	*			trans	-94.6	175.2	-165.2	-62.3	127	130	0	0	115.4
373	N	31.4	Very low	27.9	Very low	165 Å²	165	160.6 Å²	160.6	88%	0.882	81%	0.812	S	S	*	*			trans	-61.4	161.7	168	-67.2	-35.1	0	0	0	112.1
374	N	27.4	Very low	27.9	Very low	150 Å²	150	157 Å²	157	80%	0.802	80%	0.803	S	S	*	*			trans	-130.5	125.2	168.7	-170.3	-12	0	0	0	109.4
375	V	29.1	Very low	27.9	Very low	137 Å²	137	152.7 Å²	152.7	83%	0.83	80%	0.798	S	S	*	*			trans	-135.9	141.5	171.8	166.4	0	0	0	0	107.2
376	S	29.1	Very low	27.8	Very low	100 Å²	100	152.5 Å²	152.5	70%	0.699	80%	0.796	S	S	*	*			trans	-84.2	178	-165.5	-47.6	0	0	0	0	115
377	Q	29.1	Very low	27.8	Very low	178 Å²	178	155.5 Å²	155.5	83%	0.832	80%	0.796	S	S	*	*			trans	96.7	111.8	179.2	-57.9	175.7	-7.5	0	0	113
378	T	26.8	Very low	29.1	Very low	127 Å²	127	150.3 Å²	150.3	78%	0.779	79%	0.79	S	S	*	*			cis	73.6	100.6	44.9	74.5	0	0	0	0	115.1
379	V	28.8	Very low	29.1	Very low	144 Å²	144	145.1 Å²	145.1	87%	0.873	79%	0.787	S	S	*	*				-173.8	160.2	121.3	147	0	0	0	0	108.2
380	N	27.1	Very low	29.2	Very low	145 Å²	145	149 Å²	149	78%	0.775	79%	0.79	S	S	*	*			trans	-90.5	-174	-172.1	-77.8	-19.2	0	0	0	113.8
381	E	27.5	Very low	29.1	Very low	180 Å²	180	144.3 Å²	144.3	84%	0.841	79%	0.786	S	S	*	*			trans	84.6	145.4	156.3	-62.2	-171.9	-170.2	0	0	118.6
382	T	25.3	Very low	29.3	Very low	110 Å²	110	142 Å²	142	68%	0.675	78%	0.782	S	S	*	*			cis	-163.1	164	-47.5	-0.4	0	0	0	0	109.9
383	I	27.9	Very low	29.2	Very low	142 Å²	142	142.4 Å²	142.4	73%	0.728	79%	0.788	S	S	*	*			trans	73.6	105	147.4	-71.2	164.5	0	0	0	120
384	T	26.5	Very low	29.2	Very low	113 Å²	113	143.3 Å²	143.3	69%	0.693	79%	0.785	S	S	*	*			trans	51.8	125.7	134.9	74.2	0	0	0	0	124.8
385	D	25.8	Very low	29.2	Very low	148 Å²	148	146.5 Å²	146.5	79%	0.791	79%	0.785	S	S	*	*				110.6	149.7	114.6	-108.3	-44.9	0	0	0	124.7
386	S	26.6	Very low	29.3	Very low	108 Å²	108	149.6 Å²	149.6	76%	0.755	78%	0.782	S	S	*	*			trans	78.8	152.8	159.3	78.6	0	0	0	0	121.1
387	R	29	Very low	29.3	Very low	234 Å²	234	151 Å²	151	88%	0.883	78%	0.782	S	S	*	*			trans	-126.1	-159.3	176.4	-37.3	167.9	172.7	160.8	-5.3	107.2
388	P	53.2	Low	29.5	Very low	104 Å²	104	147.3 Å²	147.3	68%	0.675	78%	0.776	S	S	*	*			cis	-131.8	172.2	-39.8	35.8	-19.9	0	0	0	113.7
389	C	26.9	Very low	29.7	Very low	123 Å²	123	146.1 Å²	146.1	83%	0.831	78%	0.778	S	S	*	*			trans	-159.6	143.4	146.2	-104.2	0	0	0	0	108.8
390	K	29.6	Very low	29.8	Very low	194 Å²	194	148.4 Å²	148.4	84%	0.843	78%	0.777	S	S	*	*			cis	92.1	120.2	24.2	-73.3	-169.7	175.6	178.1	0	115.9
391	G	25.8	Very low	29.9	Very low	69 Å²	69	150.9 Å²	150.9	71%	0.711	78%	0.784	S	S	*	*			trans	139.3	91.9	176.7	0	0	0	0	0	110.9
392	I	32.2	Very low	30	Very low	152 Å²	152	150.9 Å²	150.9	78%	0.779	78%	0.781	S	S	*	*			cis	86.3	98.7	49.9	-58.6	167.2	0	0	0	113.6
393	L	28.9	Very low	30.3	Very low	167 Å²	167	149.8 Å²	149.8	87%	0.874	78%	0.783	S	S	*	*				-157.5	-178.8	113.3	-144	70.2	0	0	0	110.7
394	K	30.3	Very low	30.3	Very low	185 Å²	185	150.1 Å²	150.1	80%	0.804	78%	0.783	S	S	*	*			trans	-165.3	156.8	-153.6	-175	178.5	-177.3	172.7	0	112.9
395	R	29.1	Very low	30.4	Very low	217 Å²	217	151.5 Å²	151.5	82%	0.819	78%	0.782	S	S	*	*			trans	100.7	156.5	163.7	-65.2	-168.9	177.4	-145.7	3.6	116.9
396	R	31	Very low	30.4	Very low	202 Å²	202	151.9 Å²	151.9	76%	0.762	78%	0.779	S	S	*	*			cis	-177.7	168.5	-35.3	-148.2	-179.1	177	168.2	0.1	108.9
397	N	28.3	Very low	30.4	Very low	130 Å²	130	152 Å²	152	70%	0.695	78%	0.779	S	S	*	*			trans	77.4	155.5	159	-62.5	-1.5	0	0	0	117.6
398	S	32.8	Very low	31.3	Very low	100 Å²	100	145.8 Å²	145.8	70%	0.699	77%	0.769	S	S	*	*			cis	-172.1	151.2	-26.9	-93.9	0	0	0	0	112.2
399	A	30.9	Very low	30.1	Very low	101 Å²	101	147.6 Å²	147.6	84%	0.835	77%	0.773	S	S	*	*			trans	70.4	165.4	149.4	0	0	0	0	0	120.4
400	K	30.6	Very low	30.2	Very low	193 Å²	193	148.1 Å²	148.1	84%	0.839	77%	0.772	S	S	*	*			cis	165.2	119.7	-48.9	168.4	-174.4	-175.8	-178.1	0	110.9
401	Q	29.3	Very low	30	Very low	197 Å²	197	142 Å²	142	92%	0.921	76%	0.764	S	S	*	*			trans	-164.9	169.1	157.3	-113.9	174.8	15.4	0	0	111.9
402	K	29.7	Very low	30.1	Very low	180 Å²	180	145 Å²	145	78%	0.783	77%	0.768	S	S	*	*				-160.7	120.1	-97.5	175.2	-158.3	169.1	-163	0	112.8
403	A	31.3	Very low	29.8	Very low	87 Å²	87	143.4 Å²	143.4	72%	0.719	77%	0.765	S	S	*	*			trans	65.7	170.7	153.8	0	0	0	0	0	117
404	M	29.2	Very low	29.8	Very low	148 Å²	148	141.9 Å²	141.9	73%	0.729	76%	0.758	S	S	*	*			cis	-145.3	152.6	20.7	-78.4	179.2	61.6	0	0	114.8
405	H	28.9	Very low	29.7	Very low	143 Å²	143	138.3 Å²	138.3	66%	0.662	76%	0.756	S	S	*	*			trans	62.8	152.4	147.9	-76	-126.3	0	0	0	118.6
406	E	25	Very low	29.8	Very low	156 Å²	156	136.6 Å²	136.6	73%	0.729	76%	0.758	S	S	*	*			cis	-147.6	179.8	-2	-145.7	157.4	-130.5	0	0	112.3
407	S	26.1	Very low	29.8	Very low	109 Å²	109	133.1 Å²	133.1	76%	0.762	75%	0.754	S	S	*	*			trans	-158.8	174.9	176.7	-52.5	0	0	0	0	108.2
408	P	48.3	Very low	30	Very low	105 Å²	105	133.2 Å²	133.2	68%	0.682	75%	0.754	S	S	*	*			cis	-146.2	-169.4	9.6	41	-18.8	0	0	0	116.7
409	N	28	Very low	29.9	Very low	141 Å²	141	132.7 Å²	132.7	75%	0.754	75%	0.75	S	S	*	*			trans	68.2	135.1	138.9	-78.5	-5.4	0	0	0	125
410	V	28.5	Very low	29.9	Very low	134 Å²	134	136.3 Å²	136.3	81%	0.812	75%	0.749	S	S	*	*			trans	59.6	135.1	134	-179.4	0	0	0	0	118.9
411	G	25.9	Very low	29.9	Very low	65 Å²	65	132.8 Å²	132.8	67%	0.67	74%	0.744	S	S	*	*			cis	149.6	168.3	-6.1	0	0	0	0	0	113.4
412	V	26.9	Very low	30	Very low	132 Å²	132	130 Å²	130	80%	0.8	74%	0.74	S	S	*	*			trans	72.4	110.8	149.8	-179	0	0	0	0	119.6
413	V	27.9	Very low	30	Very low	119 Å²	119	126.4 Å²	126.4	72%	0.721	74%	0.738	S	S	*	*			trans	85.4	114.1	140.7	167.8	0	0	0	0	122.7
414	N	27.5	Very low	30.6	Very low	136 Å²	136	127.6 Å²	127.6	73%	0.727	74%	0.738	S	S	*	*			trans	59	125.8	134.3	-63.4	1.3	0	0	0	126
415	S	29.6	Very low	30.7	Very low	109 Å²	109	125.3 Å²	125.3	76%	0.762	74%	0.742	S	S	*	*				85.2	157.5	124.6	-69.9	0	0	0	0	121.8
416	Q	30.4	Very low	30.8	Very low	181 Å²	181	123.2 Å²	123.2	85%	0.846	75%	0.75	S	S	*	*			trans	91.1	134.3	178.1	-59.8	-169.4	17.2	0	0	115.7
417	N	30.2	Very low	31.3	Very low	129 Å²	129	123.9 Å²	123.9	69%	0.69	76%	0.758	S	S	*	*			cis	-164.6	170.9	-19.9	-136	-13.4	0	0	0	112.2
418	I	32.3	Very low	32.2	Very low	133 Å²	133	124.2 Å²	124.2	68%	0.682	76%	0.757	S	S	*	*			trans	62.1	99.1	149.7	-67.5	163.6	0	0	0	116.8
419	S	30.5	Very low	31.5	Very low	89 Å²	89	129.8 Å²	129.8	62%	0.622	77%	0.765	S	S	*	*				84.8	152.8	86.7	97.2	0	0	0	0	114.5
420	H	31.7	Very low	31.7	Very low	177 Å²	177	132.8 Å²	132.8	82%	0.819	77%	0.771	S	S	*	*			cis	-130.1	-147	1.2	-106.3	-62.3	0	0	0	108.3
421	V	31.1	Very low	31.7	Very low	119 Å²	119	130 Å²	130	72%	0.721	77%	0.769	S	S	*	*			cis	-153.2	161.1	9.2	-156.6	0	0	0	0	110
422	T	30	Very low	32.1	Very low	137 Å²	137	134.7 Å²	134.7	84%	0.84	78%	0.777	S	S	*	*			trans	65.7	117	161.5	23.2	0	0	0	0	121.4
423	S	29.8	Very low	32.1	Very low	106 Å²	106	136 Å²	136	74%	0.741	78%	0.779	S	S	*	*			trans	-99	-168.8	154.2	64	0	0	0	0	108.2
424	P	45.7	Very low	32.2	Very low	112 Å²	112	139.3 Å²	139.3	73%	0.727	78%	0.784	S	S	*	*			cis	-145.7	156.5	18	42.6	-21.6	0	0	0	120.8
425	A	31	Very low	32.6	Very low	99 Å²	99	141.9 Å²	141.9	82%	0.818	79%	0.788	S	S	*	*			trans	68.8	143.1	132.8	0	0	0	0	0	125.7
426	A	31.1	Very low	33.3	Very low	100 Å²	100	142.3 Å²	142.3	83%	0.826	79%	0.788	S	S	*	*			trans	92.8	119.4	142.1	0	0	0	0	0	122.3
427	L	34.9	Very low	33.3	Very low	170 Å²	170	137.5 Å²	137.5	89%	0.89	78%	0.779	S	S	*	*			trans	-98.3	157.2	153.5	-65.7	163.1	0	0	0	108.3
428	P	45.3	Very low	33.2	Very low	116 Å²	116	140 Å²	140	75%	0.753	79%	0.787	S	S	*	*				-161.2	153.2	98.4	40.2	-20	0	0	0	119.9
429	R	33.2	Very low	33.1	Very low	221 Å²	221	143.2 Å²	143.2	83%	0.834	80%	0.796	S	S	*	*			trans	45.3	129.6	133.9	-66.3	179.1	168.7	180	-2.3	124.5
430	K	32.6	Very low	33.1	Very low	205 Å²	205	147.1 Å²	147.1	89%	0.891	80%	0.804	S	S	*	*			trans	75.5	140.9	137.4	-71	-179.4	175.5	-170.1	0	121.3
431	G	28.4	Very low	33.1	Very low	74 Å²	74	144.3 Å²	144.3	76%	0.763	81%	0.805	S	S	*	*			trans	-177.9	148.9	163.9	0	0	0	0	0	113.2
432	I	33.9	Very low	33	Very low	164 Å²	164	141.7 Å²	141.7	84%	0.841	80%	0.802	S	S	*	*			trans	-145.9	132.6	-178	-62.1	170	0	0	0	110.5
433	L	27.4	Very low	32.9	Very low	159 Å²	159	145.7 Å²	145.7	83%	0.832	80%	0.803	S	S	*	*			trans	163	164.4	153.2	-112	39.4	0	0	0	108.8
434	K	30	Very low	32.9	Very low	190 Å²	190	146.3 Å²	146.3	83%	0.826	81%	0.807	S	S	*	*			cis	-176.7	156.4	-36.3	-173.1	176.5	-176.9	-174.1	0	106.8
435	K	36.2	Very low	32.3	Very low	190 Å²	190	146.9 Å²	146.9	83%	0.826	81%	0.814	S	S	*	*			trans	-70.6	157.1	176.6	-63.1	-173.7	179	-175.9	0	112.8
436	P	43.2	Very low	32.3	Very low	118 Å²	118	147.6 Å²	147.6	77%	0.766	81%	0.813	S	S	*	*				-118.1	173.4	88.7	-1.6	24.1	0	0	0	113.1
437	A	30.4	Very low	32.5	Very low	79 Å²	79	148.3 Å²	148.3	65%	0.653	81%	0.812	S	S	*	*			cis	74.5	144.5	45.9	0	0	0	0	0	113.2
438	E	28.9	Very low	33	Very low	181 Å²	181	146.2 Å²	146.2	85%	0.846	81%	0.808	S	S	*	*			cis	-165.8	-170.4	1.9	-138.3	150.3	-130.1	0	0	111.6
439	K	30.3	Very low	32.5	Very low	201 Å²	201	148.1 Å²	148.1	87%	0.874	81%	0.807	S	S	*	*			trans	97.6	117.6	-175.3	-64.2	-176.8	173.6	-176.6	0	115.3
440	E	28.9	Very low	32.4	Very low	171 Å²	171	145.1 Å²	145.1	80%	0.799	80%	0.802	S	S	*	*			cis	92.9	155	8.1	-141.7	-159.7	-167	0	0	117.1
441	S	33.4	Very low	32.4	Very low	118 Å²	118	141.1 Å²	141.1	83%	0.825	80%	0.8	S	S	*	*			trans	72.8	136.9	-172.4	72.2	0	0	0	0	116.3
442	G	27.6	Very low	32.5	Very low	64 Å²	64	145.1 Å²	145.1	66%	0.66	80%	0.804	S	S	*	*			cis	-141.6	145.8	-8.9	0	0	0	0	0	110.9
443	Y	29.7	Very low	32.4	Very low	222 Å²	222	143 Å²	143	87%	0.871	80%	0.803	S	S	*	*				63.1	104.5	83.5	-88.8	-80.8	0	0	0	115.5
444	S	28.3	Very low	32.5	Very low	118 Å²	118	138.6 Å²	138.6	83%	0.825	80%	0.797	S	S	*	*				-173.9	142.6	113.1	-77.9	0	0	0	0	111.9
445	S	34.6	Very low	32.2	Very low	124 Å²	124	142.1 Å²	142.1	87%	0.867	81%	0.805	S	S	*	*			trans	-127.3	141.4	169.1	-58.7	0	0	0	0	109.1
446	S	30.1	Very low	32.1	Very low	114 Å²	114	139.7 Å²	139.7	80%	0.797	81%	0.806	S	S	*	*			trans	-171.3	123.3	159.1	48.2	0	0	0	0	112.4
447	S	35.6	Very low	32.4	Very low	115 Å²	115	139.4 Å²	139.4	80%	0.804	80%	0.804	S	S	*	*			trans	-87.8	159.7	132	-52.6	0	0	0	0	107.1
448	P	45.9	Very low	32.3	Very low	126 Å²	126	144 Å²	144	82%	0.818	81%	0.812	S	S	*	*				-143.9	-148.7	99.4	38.5	-21.3	0	0	0	113.2
449	E	34.3	Very low	32.2	Very low	156 Å²	156	140.5 Å²	140.5	73%	0.729	80%	0.804	S	S	*	*			trans	-123.5	-179.1	-144.7	-58.5	174.9	83.9	0	0	116.4
450	H	30.4	Very low	32.1	Very low	159 Å²	159	139.5 Å²	139.5	74%	0.736	80%	0.799	S	S	*	*			trans	77.7	113.4	155.3	-54.9	-49.5	0	0	0	121.9
451	S	32.1	Very low	31.9	Very low	120 Å²	120	139.4 Å²	139.4	84%	0.839	80%	0.799	S	S	*	*				174	109.1	116	-70.5	0	0	0	0	107.2
452	D	30.7	Very low	31.6	Very low	159 Å²	159	139.8 Å²	139.8	85%	0.85	80%	0.8	S	S	*	*				85.8	108.9	54.7	-167.6	28.7	0	0	0	114.4
453	S	32.7	Very low	32.4	Very low	118 Å²	118	142.5 Å²	142.5	83%	0.825	81%	0.806	S	S	*	*			trans	174.4	121.7	157.8	55.8	0	0	0	0	108.3
454	G	28.7	Very low	32.4	Very low	68 Å²	68	137.4 Å²	137.4	70%	0.701	80%	0.803	S	S	*	*			trans	-119.1	173.7	174.4	0	0	0	0	0	112.6
455	W	25.4	Very low	32.5	Very low	263 Å²	263	136.1 Å²	136.1	100%	0.996	80%	0.8	S	S	*	*			trans	-161.9	163.1	152	-109.4	31.3	0	0	0	109.3
456	V	32.1	Very low	32.8	Very low	139 Å²	139	135.9 Å²	135.9	84%	0.842	80%	0.795	S	S	*	*			trans	-122.3	172.4	-169	-105.4	0	0	0	0	111
457	P	51.2	Low	33	Very low	113 Å²	113	137 Å²	137	73%	0.734	80%	0.797	S	S	*	*			trans	-107.7	173.6	-145.1	41.6	-38.3	0	0	0	115.1
458	Q	28.3	Very low	32.5	Very low	174 Å²	174	136.1 Å²	136.1	81%	0.813	79%	0.79	S	S	*	*			trans	-173.2	146.1	135.1	-107.3	-176.8	7.3	0	0	116.9
459	T	26.5	Very low	31.8	Very low	109 Å²	109	142.1 Å²	142.1	67%	0.669	80%	0.796	S	S	*	*			trans	49.7	130.9	146.4	60.9	0	0	0	0	124
460	K	27.3	Very low	31.8	Very low	180 Å²	180	143.4 Å²	143.4	78%	0.783	80%	0.8	S	S	*	*				150.1	150.3	120.7	-84.4	-173.2	177	-178.2	0	111.4
461	E	26	Very low	31.6	Very low	168 Å²	168	139.5 Å²	139.5	79%	0.785	80%	0.802	S	S	*	*			cis	-165.4	173.4	-28.9	-127.3	175.7	145.8	0	0	107.4
462	C	26.6	Very low	31.8	Very low	127 Å²	127	140 Å²	140	86%	0.858	79%	0.794	S	S	*	*			trans	-102.2	159.5	-173.3	-60.1	0	0	0	0	115.3
463	P	43.8	Very low	31.6	Very low	121 Å²	121	140.1 Å²	140.1	79%	0.786	79%	0.794	S	S	*	*				-137.3	167.2	127.4	36	-23.3	0	0	0	112
464	S	29.1	Very low	31.5	Very low	114 Å²	114	141.8 Å²	141.8	80%	0.797	79%	0.786	S	S	*	*			cis	-166.7	157.1	-16.2	48.7	0	0	0	0	109.6
465	A	31.1	Very low	31.6	Very low	92 Å²	92	147.8 Å²	147.8	76%	0.76	79%	0.788	S	S	*	*			trans	-85.8	163.2	173.2	0	0	0	0	0	112.4
466	P	41.4	Very low	31.8	Very low	119 Å²	119	142.2 Å²	142.2	77%	0.773	78%	0.777	S	S	*	*				-134.8	-167.5	77.7	36	-17.9	0	0	0	111.7
467	T	33.2	Very low	31.6	Very low	137 Å²	137	139.1 Å²	139.1	84%	0.84	77%	0.774	S	S	*	*			cis	-149.1	-161.2	12.5	-28.9	0	0	0	0	110.3
468	C	26.8	Very low	30.8	Very low	97 Å²	97	142.8 Å²	142.8	66%	0.655	78%	0.778	S	S	*	*			trans	-147.3	148.4	179.8	176.9	0	0	0	0	112.4
469	R	30.9	Very low	30.9	Very low	252 Å²	252	144.1 Å²	144.1	95%	0.951	78%	0.782	S	S	*	*			trans	-152.4	150.5	145	-113.7	175.1	-170	-164.5	1.8	112
470	K	32.8	Very low	31.1	Very low	183 Å²	183	143.7 Å²	143.7	80%	0.796	78%	0.783	S	S	*	*			trans	-115.4	157.6	-177.4	-62.2	177.3	-179.8	176	0	110.8
471	G	27.8	Very low	31.3	Very low	77 Å²	77	140.9 Å²	140.9	79%	0.794	79%	0.786	S	S	*	*			trans	-134.6	126.8	160.3	0	0	0	0	0	110.1
472	I	34.8	Very low	31.3	Very low	130 Å²	130	137 Å²	137	67%	0.667	79%	0.79	S	S	*	*			trans	-143	126.4	-179.2	-62	175.8	0	0	0	110
473	L	27.3	Very low	31.4	Very low	162 Å²	162	134.2 Å²	134.2	85%	0.848	78%	0.784	S	S	*	*			trans	-146.8	127.2	149.6	-132.2	63.5	0	0	0	105.6
474	K	30.3	Very low	30.6	Very low	152 Å²	152	136.3 Å²	136.3	66%	0.661	79%	0.787	S	S	*	*				59.1	133.9	53.9	-68.6	-171.7	175.8	174.7	0	111.5
475	R	30.2	Very low	30.6	Very low	194 Å²	194	138 Å²	138	73%	0.732	78%	0.783	S	S	*	*			cis	-164.6	161	8.6	-134	-174.3	168.4	156.5	-5.5	111.8
476	N	29.4	Very low	30.6	Very low	146 Å²	146	140 Å²	140	78%	0.781	78%	0.776	S	S	*	*			trans	65.8	159.2	157.9	-56.5	-11.4	0	0	0	116.7
477	G	29.2	Very low	30	Very low	74 Å²	74	143.5 Å²	143.5	76%	0.763	78%	0.78	S	S	*	*			cis	-163.7	161.3	-2.8	0	0	0	0	0	112.5
478	K	35.1	Very low	29.6	Very low	190 Å²	190	140.5 Å²	140.5	83%	0.826	78%	0.776	S	S	*	*			trans	-81.4	158.3	178.2	-57.9	171.3	178.9	178.6	0	111
479	F	30.3	Very low	29.7	Very low	203 Å²	203	141.2 Å²	141.2	89%	0.89	78%	0.782	S	S	*	*				-175.9	-176.9	109.6	-93.7	-61.5	0	0	0	111.6
480	S	29.9	Very low	29.5	Very low	100 Å²	100	136.1 Å²	136.1	70%	0.699	77%	0.773	S	S	*	*			trans	-129.5	165.8	-154.6	-52.5	0	0	0	0	114.8
481	S	30.7	Very low	29.5	Very low	121 Å²	121	133.1 Å²	133.1	85%	0.846	77%	0.766	S	S	*	*			trans	66.7	135.9	140.9	58.2	0	0	0	0	122.2
482	G	27.3	Very low	29.7	Very low	85 Å²	85	136.4 Å²	136.4	88%	0.876	76%	0.76	S	S	*	*			trans	88.8	153.6	165.8	0	0	0	0	0	114.9
483	G	27	Very low	29.4	Very low	70 Å²	70	137.5 Å²	137.5	72%	0.722	77%	0.767	S	S	*	*			cis	164	154	-6.6	0	0	0	0	0	112.4
484	L	28.7	Very low	29.5	Very low	164 Å²	164	134 Å²	134	86%	0.859	76%	0.761	S	S	*	*			trans	65.7	113.2	172.5	-86.5	71.3	0	0	0	120.7
485	Q	29.3	Very low	29.4	Very low	150 Å²	150	131.6 Å²	131.6	70%	0.701	77%	0.77	S	S	*	*				38.3	124.3	111.7	-102.7	-177	-54.9	0	0	123.8
486	E	30.3	Very low	29.2	Very low	134 Å²	134	128.1 Å²	128.1	63%	0.626	78%	0.776	S	S	*	*				93	151.9	116.3	-135.7	157.1	-102.6	0	0	123.5
487	F	27.8	Very low	29.2	Very low	193 Å²	193	129.1 Å²	129.1	85%	0.846	78%	0.78	S	S	*	*			trans	64.1	149.5	178.9	-60.1	-81.5	0	0	0	117.5
488	G	26.7	Very low	29.9	Very low	74 Å²	74	130.9 Å²	130.9	76%	0.763	78%	0.778	S	S	*	*			cis	-161.5	-179.9	0.9	0	0	0	0	0	113.4
489	S	28.1	Very low	29.8	Very low	112 Å²	112	129.7 Å²	129.7	78%	0.783	78%	0.779	S	S	*	*			trans	-90	160.4	-173.8	-168.3	0	0	0	0	113.8
490	L	27.2	Very low	29.7	Very low	144 Å²	144	123.6 Å²	123.6	75%	0.754	77%	0.774	S	S	*	*				174.7	133.7	113.9	-132.8	71.4	0	0	0	114.7
491	D	31.2	Very low	29.7	Very low	121 Å²	121	123.5 Å²	123.5	65%	0.647	78%	0.779	S	S	*	*			trans	46.6	153.3	135.2	-80.6	-29.5	0	0	0	124.3
492	Q	32.1	Very low	29.6	Very low	145 Å²	145	124.9 Å²	124.9	68%	0.678	78%	0.782	S	S	*	*			cis	-172.4	-178.5	-10.4	-167.8	169.3	102.3	0	0	110.8
493	L	29.3	Very low	29.9	Very low	153 Å²	153	131.9 Å²	131.9	80%	0.801	78%	0.782	S	S	*	*			trans	81.9	142.5	165.3	-52.2	173.4	0	0	0	116.2
494	A	28.4	Very low	30.1	Very low	89 Å²	89	133.6 Å²	133.6	74%	0.736	78%	0.784	S	S	*	*			cis	-151.8	135.3	-8.3	0	0	0	0	0	107.7
495	A	28.2	Very low	30.3	Very low	102 Å²	102	137.2 Å²	137.2	84%	0.843	79%	0.786	S	S	*	*				89.2	99.3	63.8	0	0	0	0	0	115.3
496	S	27.7	Very low	31	Very low	121 Å²	121	135.4 Å²	135.4	85%	0.846	79%	0.787	S	S	*	*			trans	-161.8	138.4	155.6	59	0	0	0	0	113
497	L	29	Very low	31	Very low	166 Å²	166	135.2 Å²	135.2	87%	0.869	80%	0.8	S	S	*	*			trans	-154.4	-178.1	178.2	-88.9	173.8	0	0	0	106.7
498	P	44.2	Very low	30.9	Very low	112 Å²	112	129.2 Å²	129.2	73%	0.727	79%	0.793	S	S	*	*			cis	-109.1	-143.2	-8.1	17.5	8.1	0	0	0	110.1
499	I	32	Very low	31.4	Very low	164 Å²	164	130.7 Å²	130.7	84%	0.841	80%	0.798	S	S	*	*			cis	-147.3	147.9	9	-58.8	162.1	0	0	0	109.8
500	G	28.6	Very low	31.6	Very low	76 Å²	76	133.8 Å²	133.8	78%	0.784	80%	0.804	S	S	*	*			trans	167.1	102.6	163.2	0	0	0	0	0	112
501	A	29.2	Very low	31.6	Very low	98 Å²	98	131.4 Å²	131.4	81%	0.81	80%	0.799	S	S	*	*			trans	-133.7	132.1	-164	0	0	0	0	0	115.6
502	T	30.2	Very low	31.8	Very low	150 Å²	150	134.1 Å²	134.1	92%	0.92	81%	0.808	S	S	*	*			trans	-141	159.9	150.4	40.1	0	0	0	0	108.6
503	R	32.9	Very low	31.9	Very low	231 Å²	231	133.4 Å²	133.4	87%	0.872	81%	0.809	S	S	*	*			trans	-147	129.3	-148.6	-158.6	-170	-160.9	-175.6	6.1	113.9
504	S	30.9	Very low	32	Very low	107 Å²	107	131.3 Å²	131.3	75%	0.748	81%	0.807	S	S	*	*			trans	59.8	156.7	156.3	49.2	0	0	0	0	118.8
505	R	33.2	Very low	32.1	Very low	240 Å²	240	133.5 Å²	133.5	91%	0.906	81%	0.805	S	S	*	*			cis	-151.2	174.4	0.7	-127.4	-162.9	169.3	171.4	-3.8	108.5
506	P	44.8	Very low	32.3	Very low	111 Å²	111	134.6 Å²	134.6	72%	0.721	80%	0.796	S	S	*	*			trans	-100.1	159.4	-168.1	39.1	-36.2	0	0	0	116.4
507	S	28.7	Very low	32.7	Very low	130 Å²	130	131.6 Å²	131.6	91%	0.909	78%	0.775	S	S	*	*			trans	-150.8	153.3	149.9	-72.6	0	0	0	0	105.9
508	G	27	Very low	33.3	Very low	67 Å²	67	127 Å²	127	69%	0.691	76%	0.757	S	S	*	*			cis	159.4	130.5	-2.2	0	0	0	0	0	108.3
509	A	36.9	Very low	33.4	Very low	106 Å²	106	127.9 Å²	127.9	88%	0.876	75%	0.751	S	S	*	*			trans	46.4	113.4	175.6	0	0	0	0	0	118.8
510	I	31.1	Very low	34.3	Very low	177 Å²	177	120.4 Å²	120.4	91%	0.908	71%	0.714	S	S	*	*			trans	-139.9	136.8	162.5	-11.5	176.8	0	0	0	111.3
511	S	28.2	Very low	35.4	Very low	93 Å²	93	117.2 Å²	117.2	65%	0.65	68%	0.678	S	S	*	*			trans	-37.4	138.1	-166.3	-65.6	0	0	0	0	121.3	D513	S511-D513 PolarHBondContact O-N 3.05Å
512	E	34.9	Very low	36.6	Very low	179 Å²	179	116.1 Å²	116.1	84%	0.836	66%	0.659	S	S	*	*	S	Bend	trans	-69.8	63.8	147.2	-79.6	-77.9	170.8	0	0	111.2
513	D	33.9	Very low	37.8	Very low	129 Å²	129	112.9 Å²	112.9	69%	0.69	63%	0.633	S	S	*	*			trans	-140.8	80.1	176.9	-90	-58.4	0	0	0	112.8	S511	S511-D513 PolarHBondContact O-N 3.05Å
514	S	32.3	Very low	38.9	Very low	109 Å²	109	102.2 Å²	102.2	76%	0.762	59%	0.593	S	S	*	*			trans	-155.1	32.3	167	-84.1	0	0	0	0	114.3	L516	S514-L516 VanDerWaalsContact C-N 3.28Å; S514-L516 PolarHBondContact O-N 2.93Å
515	I	30.6	Very low	40	Very low	136 Å²	136	98.7 Å²	98.7	70%	0.697	57%	0.566	S	S	*	*	S	Bend	trans	-84.6	-0.4	-179.1	-45.6	-177.4	0	0	0	111.9
516	L	31.6	Very low	40.8	Very low	125 Å²	125	91 Å²	91	65%	0.654	54%	0.542	S	S	*	.			trans	-124.6	28.4	-163	-64.9	178	0	0	0	116.7	K37 S514	K37-L516 HydrophobicContact CB-CD2 4.4Å; K37-L516 HydrophobicContact CD-CD2 4.35Å; K37-L516 WeakPolarHBondContact CE-O 3.35Å; K37-L516 PolarHBondContact NZ-O 3.2Å; S514-L516 VanDerWaalsContact C-N 3.28Å; S514-L516 PolarHBondContact O-N 2.93Å
517	S	37.1	Very low	40.8	Very low	57 Å²	57	90.8 Å²	90.8	40%	0.399	54%	0.541	S	S	.	.			trans	-70	131.4	176.9	-63.5	0	0	0	0	114.3	K37 E519	K37-S517 VanDerWaalsContact CE-C 3.48Å; K37-S517 VanDerWaalsContact CE-O 3.28Å; K37-S517 WeakPolarHBondContact CE-O 3.2Å; S517-E519 VanDerWaalsContact C-N 3.27Å; S517-E519 PolarHBondContact O-N 3.08Å
518	S	40.8	Very low	41.5	Very low	70 Å²	70	89 Å²	89	49%	0.49	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-65.6	-31.9	177.4	-56.9	0	0	0	0	113	K37 S520 F521	K37-S518 VanDerWaalsContact CE-CA 3.41Å; K37-S518 PolarHBondContact NZ-OG 3.5Å; S518-S520 PolarHBondContact O-N 3.07Å; S518-F521 PolarHBondContact O-N 3.5Å
519	E	46.4	Very low	42.1	Very low	131 Å²	131	93.4 Å²	93.4	61%	0.612	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-47	-24.6	-178.6	-52.6	173.5	143.3	0	0	115	K41 S517 F521 D522	K41-E519 WeakPolarHBondContact CE-O 3.45Å; K41-E519 PolarHBondContact NZ-O 3.05Å; S517-E519 VanDerWaalsContact C-N 3.27Å; S517-E519 PolarHBondContact O-N 3.08Å; E519-F521 PolarHBondContact O-N 2.83Å; E519-D522 PolarHBondContact O-N 3.11Å
520	S	50.6	Low	41.8	Very low	7 Å²	7	95 Å²	95	5%	0.049	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-52.8	-33	171.7	177.2	0	0	0	0	112.6	N39 L40 S518	N39-S520 WeakPolarHBondContact CA-OG 3.48Å; N39-S520 WeakPolarHBondContact OD1-CB 3.43Å; N39-S520 PolarHBondContact OD1-OG 3.1Å; N39-S520 VanDerWaalsContact OD1-OG 3.07Å; L40-S520 PolarHBondContact N-OG 3.15Å; L40-S520 VanDerWaalsContact N-OG 3.1Å; S518-S520 PolarHBondContact O-N 3.07Å
521	F	51.5	Low	41.9	Very low	8 Å²	8	97.3 Å²	97.3	4%	0.035	52%	0.52	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-18.6	-171.9	-80.7	-82.9	0	0	0	113.7	K37 L40 K115 V117 S518 E519	K37-F521 HydrophobicContact CG-CE2 4.2Å; L40-F521 HydrophobicContact CD1-CD1 4.11Å; L40-F521 HydrophobicContact CD1-CE1 3.35Å; L40-F521 HydrophobicContact CD1-CE2 4.39Å; L40-F521 HydrophobicContact CD1-CZ 3.52Å; K115-F521 HydrophobicContact CD-CB 4.03Å; K115-F521 HydrophobicContact CD-CD1 3.99Å; K115-F521 HydrophobicContact CD-CG 4.43Å; K115-F521 HydrophobicContact CG-CD1 4.12Å; K115-F521 PolarHBondContact NZ-O 2.96Å; V117-F521 HydrophobicContact CG2-CD1 4.18Å; V117-F521 HydrophobicContact CG2-CE1 4.09Å; S518-F521 PolarHBondContact O-N 3.5Å; E519-F521 PolarHBondContact O-N 2.83Å
522	D	54.3	Low	41.9	Very low	76 Å²	76	98.3 Å²	98.3	41%	0.406	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-95.3	-8.1	-167.9	-52.3	-46.2	0	0	0	112.7	K115 E519 L524 D525 L526	K115-D522 IonicContact NZ-OD1 3.61Å; K115-D522 PolarHBondContact NZ-OD1 2.99Å; E519-D522 PolarHBondContact O-N 3.11Å; D522-L524 VanDerWaalsContact C-N 3.26Å; D522-L524 PolarHBondContact O-N 3.18Å; D522-D525 WeakPolarHBondContact O-CB 3.34Å; D522-D525 PolarHBondContact O-N 3.14Å; D522-L526 PolarHBondContact O-N 2.75Å
523	Q	55.3	Low	41.7	Very low	82 Å²	82	95.9 Å²	95.9	38%	0.383	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-77.5	-8.9	171.7	-145.1	167.7	-0.1	0	0	113.9	D525 L526	Q523-D525 PolarHBondContact O-N 3.15Å; Q523-L526 HydrophobicContact CG-CB 4.47Å; Q523-L526 HydrophobicContact CG-CD1 3.66Å; Q523-L526 HydrophobicContact CG-CG 3.99Å
524	L	56.2	Low	41.6	Very low	6 Å²	6	96.3 Å²	96.3	3%	0.031	53%	0.531	C	S	.	.	G	3₁₀ helix	trans	-61.5	-24.4	161	-74.1	161.2	0	0	0	111.6	F46 K59 V117 D522	F46-L524 HydrophobicContact CD1-CD2 4Å; F46-L524 HydrophobicContact CE1-CD2 3.43Å; F46-L524 VanDerWaalsContact CE1-CD2 3.43Å; F46-L524 HydrophobicContact CE1-CG 4.48Å; F46-L524 HydrophobicContact CE2-CD2 4.45Å; F46-L524 HydrophobicContact CZ-CD2 3.69Å; F46-L524 HydrophobicContact CZ-CG 4.3Å; K59-L524 WeakPolarHBondContact CE-O 3.39Å; V117-L524 HydrophobicContact CG2-CD1 4.07Å; D522-L524 VanDerWaalsContact C-N 3.26Å; D522-L524 PolarHBondContact O-N 3.18Å
525	D	55	Low	41.8	Very low	33 Å²	33	100.2 Å²	100.2	18%	0.176	54%	0.537	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-17.4	-167.8	-72.3	-72.3	0	0	0	114.9	K57 R75 K115 D522 Q523	K57-D525 PolarHBondContact NZ-O 2.92Å; R75-D525 VanDerWaalsContact CZ-CG 3.48Å; R75-D525 IonicContact CZ-OD1 3.66Å; R75-D525 VanDerWaalsContact CZ-OD1 3.27Å; R75-D525 IonicContact CZ-OD2 3.39Å; R75-D525 VanDerWaalsContact NE-CG 3.31Å; R75-D525 IonicContact NE-OD1 3.78Å; R75-D525 PolarHBondContact NE-OD1 2.92Å; R75-D525 IonicContact NE-OD2 3.88Å; R75-D525 PolarHBondContact NE-OD2 3.17Å; R75-D525 IonicContact NH2-OD1 3.94Å; R75-D525 PolarHBondContact NH2-OD1 3.35Å; R75-D525 IonicContact NH2-OD2 2.81Å; R75-D525 PolarHBondContact NH2-OD2 3.29Å; K115-D525 IonicContact NZ-OD2 2.75Å; K115-D525 PolarHBondContact NZ-OD2 3.42Å; D522-D525 WeakPolarHBondContact O-CB 3.34Å; D522-D525 PolarHBondContact O-N 3.14Å; Q523-D525 PolarHBondContact O-N 3.15Å
526	L	50.2	Low	42	Very low	78 Å²	78	99.4 Å²	99.4	41%	0.408	54%	0.543	S	S	.	.	S	Bend	trans	-51.7	150.1	171.8	-75.6	-164.1	0	0	0	112.3	D522 Q523	D522-L526 PolarHBondContact O-N 2.75Å; Q523-L526 HydrophobicContact CG-CB 4.47Å; Q523-L526 HydrophobicContact CG-CD1 3.66Å; Q523-L526 HydrophobicContact CG-CG 3.99Å
527	P	44.1	Very low	42	Very low	107 Å²	107	101.1 Å²	101.1	70%	0.695	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-60.7	149.2	167	29.1	-35.4	0	0	0	110.2	H529	P527-H529 PolarHBondContact O-N 2.91Å
528	D	42.9	Very low	41.6	Very low	94 Å²	94	107.9 Å²	107.9	50%	0.503	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-67.8	130.1	-177.2	-55.1	-66.1	0	0	0	110.2	T49 K59 V530	T49-D528 PolarHBondContact OG1-OD1 3.17Å; K59-D528 IonicContact NZ-OD1 2.69Å; K59-D528 PolarHBondContact NZ-OD1 3.15Å; D528-V530 PolarHBondContact O-N 3.34Å
529	H	39.6	Very low	41	Very low	159 Å²	159	110.3 Å²	110.3	74%	0.736	59%	0.589	S	S	*	*			trans	-68.5	101.4	-176.6	-81.8	-71.8	0	0	0	111	P527 R531	P527-H529 PolarHBondContact O-N 2.91Å; H529-R531 PolarHBondContact O-N 2.91Å
530	V	31.5	Very low	40.6	Very low	140 Å²	140	107.9 Å²	107.9	85%	0.848	59%	0.592	S	S	*	*			trans	-64.1	103	173.9	-177.5	0	0	0	0	109.6	D528	D528-V530 PolarHBondContact O-N 3.34Å
531	R	32.1	Very low	40	Very low	225 Å²	225	117 Å²	117	85%	0.849	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-71.7	141.3	160.3	-77.5	-174.7	176.8	167.6	1.1	109.1	H529	H529-R531 PolarHBondContact O-N 2.91Å
532	P	29.3	Very low	39.4	Very low	114 Å²	114	120.7 Å²	120.7	74%	0.74	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-63.3	142.3	168.6	28.5	-34	0	0	0	109.9	T534	P532-T534 PolarHBondContact O-N 3.36Å
533	P	31.1	Very low	38.6	Very low	128 Å²	128	121.1 Å²	121.1	83%	0.831	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-78	120.5	-173.5	30	-34.5	0	0	0	112.2
534	T	32	Very low	37.9	Very low	137 Å²	137	118.7 Å²	118.7	84%	0.84	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-81.8	132.5	156.3	45	0	0	0	0	109.3	P532 S536	P532-T534 PolarHBondContact O-N 3.36Å; T534-S536 PolarHBondContact O-N 2.88Å
535	Q	35.3	Very low	37.3	Very low	192 Å²	192	123.5 Å²	123.5	90%	0.897	67%	0.67	S	S	*	*	S	Bend	trans	-71.1	114.3	-177.1	-65.2	179.7	-3.3	0	0	111.8
536	S	35.8	Very low	36.3	Very low	118 Å²	118	123.1 Å²	123.1	83%	0.825	67%	0.673	S	S	*	*			trans	162	46.6	137.2	50.5	0	0	0	0	115.1	T534	T534-S536 PolarHBondContact O-N 2.88Å
537	D	31.5	Very low	35.6	Very low	162 Å²	162	121.5 Å²	121.5	87%	0.866	67%	0.669	S	S	*	*			trans	-131.1	141.6	169.1	-101.1	-47.6	0	0	0	112.8
538	K	29	Very low	34.7	Very low	199 Å²	199	119.5 Å²	119.5	87%	0.865	65%	0.654	S	S	*	*			trans	-86.6	127.7	173.1	-70.4	179.2	-179.2	174.7	0	108.9	A540	K538-A540 PolarHBondContact O-N 3.33Å
539	P	27.9	Very low	34.3	Very low	120 Å²	120	116.1 Å²	116.1	78%	0.779	64%	0.638	S	S	*	*			trans	-69.6	107.2	177.1	27.9	-33.4	0	0	0	110.5	K541	P539-K541 PolarHBondContact O-N 2.89Å
540	A	36.8	Very low	33.6	Very low	80 Å²	80	110.6 Å²	110.6	66%	0.661	62%	0.62	S	S	*	*			trans	-64.5	123.2	166.1	0	0	0	0	0	109	K538 T542	K538-A540 PolarHBondContact O-N 3.33Å; A540-T542 VanDerWaalsContact C-N 3.29Å; A540-T542 PolarHBondContact O-N 3.35Å
541	K	37.8	Very low	33.3	Very low	198 Å²	198	111.2 Å²	111.2	86%	0.861	62%	0.619	S	S	*	*			trans	-81.9	72.6	179.2	-72.5	-173.6	174.8	-175.4	0	110.8	P539	P539-K541 PolarHBondContact O-N 2.89Å
542	T	39.2	Very low	33	Very low	87 Å²	87	107 Å²	107	53%	0.534	61%	0.613	S	S	.	*			trans	-111.3	67.9	175.8	57.5	0	0	0	0	110.6	A540	A540-T542 VanDerWaalsContact C-N 3.29Å; A540-T542 PolarHBondContact O-N 3.35Å
543	S	37.3	Very low	33	Very low	84 Å²	84	106.1 Å²	106.1	59%	0.587	60%	0.602	S	S	*	*			trans	-99.6	108.7	167.7	177	0	0	0	0	107.4	R545	S543-R545 PolarHBondContact O-N 3.27Å
544	M	42.4	Very low	32.9	Very low	31 Å²	31	108 Å²	108	15%	0.153	60%	0.604	C	S	.	*			trans	-60.6	133	175.6	-49.1	-170.9	-34	0	0	108.3	L50 L173 G546	L50-M544 HydrophobicContact CB-CE 3.99Å; L50-M544 HydrophobicContact CB-CG 4.4Å; L50-M544 HydrophobicContact CB-SD 4.39Å; L50-M544 HydrophobicContact CD1-CE 4.37Å; L50-M544 HydrophobicContact CD1-SD 4.48Å; L50-M544 PolarHBondContact O-N 3.13Å; L173-M544 HydrophobicContact CD1-SD 4.39Å; M544-G546 PolarHBondContact O-N 3.22Å
545	R	43.5	Very low	32.7	Very low	107 Å²	107	109.1 Å²	109.1	40%	0.404	61%	0.605	S	S	.	*			trans	-65.6	110	170	-87.2	-177.7	166.7	-110.6	1.1	107.9	S543 A578 D579	S543-R545 PolarHBondContact O-N 3.27Å; R545-A578 PolarHBondContact NH1-O 3.35Å; R545-D579 IonicContact CZ-OD1 3.87Å; R545-D579 IonicContact NH1-OD1 2.72Å; R545-D579 IonicContact NH2-OD1 2.7Å; R545-D579 PolarHBondContact NH2-OD1 3.07Å
546	G	34.1	Very low	32.3	Very low	25 Å²	25	107.4 Å²	107.4	26%	0.258	60%	0.6	S	S	.	*			trans	-65.3	158.2	167.9	0	0	0	0	0	110.2	M544 V548	M544-G546 PolarHBondContact O-N 3.22Å; G546-V548 WeakPolarHBondContact O-CG2 3.39Å; G546-V548 PolarHBondContact O-N 3.09Å
547	S	34.8	Very low	31.9	Very low	45 Å²	45	106 Å²	106	32%	0.315	60%	0.596	S	S	.	*			trans	-61.9	97.9	171.2	-8.3	0	0	0	0	108.9	G53 D184	G53-S547 WeakPolarHBondContact CA-O 3.42Å; D184-S547 WeakPolarHBondContact OD2-CB 3.14Å; D184-S547 PolarHBondContact OD2-OG 2.92Å
548	V	26	Very low	31.9	Very low	64 Å²	64	107.4 Å²	107.4	39%	0.388	60%	0.597	S	S	.	*			trans	-81.8	134.3	-180	175.8	0	0	0	0	109.7	G546 A581 S583	G546-V548 WeakPolarHBondContact O-CG2 3.39Å; G546-V548 PolarHBondContact O-N 3.09Å; V548-A581 HydrophobicContact CB-CB 4.18Å; V548-S583 WeakPolarHBondContact O-CB 3.44Å
549	S	32.8	Very low	31.8	Very low	24 Å²	24	105.7 Å²	105.7	17%	0.168	60%	0.597	C	S	.	*			trans	-99.2	168.4	175.7	176.7	0	0	0	0	112.4	T54 D551 D586	T54-S549 VanDerWaalsContact OG1-CB 3.28Å; T54-S549 WeakPolarHBondContact OG1-CB 3.33Å; S549-D551 VanDerWaalsContact C-N 3.3Å; S549-D551 PolarHBondContact O-N 3.25Å; S549-D586 WeakPolarHBondContact CB-OD2 3.39Å; S549-D586 WeakPolarHBondContact OG-CB 3.39Å; S549-D586 PolarHBondContact OG-OD1 3.18Å; S549-D586 PolarHBondContact OG-OD2 3.32Å
550	A	25.4	Very low	31.9	Very low	43 Å²	43	111 Å²	111	36%	0.355	60%	0.602	S	S	.	*	S	Bend	trans	-80.7	25	-155.4	0	0	0	0	0	116.8	N552 L553	A550-N552 VanDerWaalsContact C-N 3.27Å; A550-N552 PolarHBondContact O-N 2.99Å; A550-L553 HydrophobicContact CB-CD1 4.38Å
551	D	25	Very low	31.9	Very low	153 Å²	153	114 Å²	114	82%	0.818	61%	0.612	S	S	*	*			trans	-71.9	-11.4	-176	-80	-30.3	0	0	0	114.6	S549 L553	S549-D551 VanDerWaalsContact C-N 3.3Å; S549-D551 PolarHBondContact O-N 3.25Å; D551-L553 VanDerWaalsContact C-N 3.32Å; D551-L553 PolarHBondContact O-N 2.91Å
552	N	26.9	Very low	31.6	Very low	136 Å²	136	112.8 Å²	112.8	73%	0.727	61%	0.614	S	S	*	*			trans	-88.5	46	177.4	-79.1	-5.1	0	0	0	113.5	A550	A550-N552 VanDerWaalsContact C-N 3.27Å; A550-N552 PolarHBondContact O-N 2.99Å
553	L	28.9	Very low	31.1	Very low	96 Å²	96	111.8 Å²	111.8	50%	0.503	62%	0.621	S	S	.	*			trans	-102.5	5.5	-166.9	-116.9	173.3	0	0	0	116.9	A550 D551 F582	A550-L553 HydrophobicContact CB-CD1 4.38Å; D551-L553 VanDerWaalsContact C-N 3.32Å; D551-L553 PolarHBondContact O-N 2.91Å; L553-F582 HydrophobicContact CD1-CE1 4.42Å; L553-F582 HydrophobicContact CD2-CZ 4.46Å
554	L	28.6	Very low	30.7	Very low	167 Å²	167	115.6 Å²	115.6	87%	0.874	63%	0.634	S	S	*	*	S	Bend	trans	-131.7	-12.6	-172.1	-75.3	176.6	0	0	0	118.3
555	D	28.3	Very low	30.1	Very low	161 Å²	161	123.9 Å²	123.9	86%	0.861	66%	0.664	S	S	*	*			trans	-127.5	92.8	179.5	-91.5	-52.3	0	0	0	112.9
556	I	27.4	Very low	29.5	Very low	155 Å²	155	125.2 Å²	125.2	80%	0.795	68%	0.684	S	S	*	*			trans	-136	107.3	152.4	-59.9	-177.8	0	0	0	106.5
557	A	26.1	Very low	29.5	Very low	89 Å²	89	130.3 Å²	130.3	74%	0.736	70%	0.704	S	S	*	*			trans	-69.8	154.7	174.8	0	0	0	0	0	111.4	D559	A557-D559 PolarHBondContact O-N 2.97Å
558	E	31.2	Very low	29.5	Very low	192 Å²	192	135.6 Å²	135.6	90%	0.897	72%	0.722	S	S	*	*			trans	-65	130.9	173.1	-58.7	-175.6	147.6	0	0	110.8
559	D	28.4	Very low	30.1	Very low	162 Å²	162	136.9 Å²	136.9	87%	0.866	73%	0.731	S	S	*	*			trans	-131.8	147.5	165.7	-141	-23.4	0	0	0	111.4	A557	A557-D559 PolarHBondContact O-N 2.97Å
560	R	29.1	Very low	30.7	Very low	231 Å²	231	138.2 Å²	138.2	87%	0.872	73%	0.733	S	S	*	*			trans	-93.5	146.5	-149.8	-68.7	-179.8	174.8	176.6	-1.2	114.9
561	V	37.6	Very low	31.5	Very low	145 Å²	145	139.1 Å²	139.1	88%	0.879	73%	0.732	S	S	*	*			trans	-69.3	129.9	176.2	176.9	0	0	0	0	111.6
562	L	30	Very low	32.1	Very low	172 Å²	172	134.9 Å²	134.9	90%	0.901	71%	0.713	S	S	*	*			trans	-158.3	148.6	159.3	-109.6	171.4	0	0	0	111
563	G	29.8	Very low	32.8	Very low	66 Å²	66	129.4 Å²	129.4	68%	0.68	68%	0.683	S	S	*	*	S	Bend	trans	87.5	98.4	158.4	0	0	0	0	0	118.2
564	D	29.1	Very low	33.2	Very low	163 Å²	163	134.8 Å²	134.8	87%	0.872	70%	0.696	S	S	*	*			trans	22.6	131.1	149.3	-152.3	4.2	0	0	0	121.8
565	R	30.1	Very low	33.6	Very low	205 Å²	205	130.4 Å²	130.4	77%	0.774	68%	0.679	S	S	*	*			trans	-108	86.1	-169.5	-75.6	-171.6	172.7	-167.9	-1.8	114.7	L567	R565-L567 HydrophobicContact CB-CD2 4.46Å; R565-L567 PolarHBondContact O-N 2.84Å
566	V	29.7	Very low	33.9	Very low	135 Å²	135	124.8 Å²	124.8	82%	0.818	66%	0.66	S	S	*	*			trans	-77.9	98.6	152.3	-179.2	0	0	0	0	108.7	K568	V566-K568 PolarHBondContact O-N 3.14Å
567	L	33.8	Very low	34.4	Very low	132 Å²	132	119.3 Å²	119.3	69%	0.691	63%	0.633	S	S	*	*			trans	-65.3	110.2	-173.2	-68.5	169.2	0	0	0	112.7	R565	R565-L567 HydrophobicContact CB-CD2 4.46Å; R565-L567 PolarHBondContact O-N 2.84Å
568	K	34.9	Very low	34.8	Very low	157 Å²	157	115.9 Å²	115.9	68%	0.683	61%	0.605	S	S	*	*			trans	-77.3	140.2	163.2	-70.8	173.9	-177	167.7	0	109.6	V566 W570 D571	V566-K568 PolarHBondContact O-N 3.14Å; K568-W570 VanDerWaalsContact C-N 3.27Å; K568-W570 PolarHBondContact O-N 2.78Å; K568-W570 VanDerWaalsContact O-N 3.15Å; K568-D571 WeakPolarHBondContact CB-OD2 3.34Å
569	P	40.3	Very low	34.7	Very low	90 Å²	90	111.9 Å²	111.9	58%	0.584	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-15.1	-167.3	-21.8	33.9	0	0	0	116.3	T238	T238-P569 WeakPolarHBondContact CG2-O 3.46Å
570	W	44.8	Very low	34.9	Very low	52 Å²	52	106.6 Å²	106.6	20%	0.197	57%	0.565	C	S	.	*	T	Hydrogen-bonded Turn	trans	-117.6	-0.9	-162.4	-67.7	99.2	0	0	0	115.5	I132 K136 G237 K568 C572	I132-W570 HydrophobicContact CG2-CH2 3.21Å; I132-W570 HydrophobicContact CG2-CZ2 4.25Å; I132-W570 HydrophobicContact CG2-CZ3 3.5Å; K136-W570 WeakPolarHBondContact O-CZ2 3.5Å; K136-W570 PolarHBondContact O-NE1 2.86Å; G237-W570 VanDerWaalsContact O-CH2 3.3Å; G237-W570 WeakPolarHBondContact O-CH2 3.34Å; G237-W570 VanDerWaalsContact O-CZ3 3.24Å; G237-W570 WeakPolarHBondContact O-CZ3 3.28Å; K568-W570 VanDerWaalsContact C-N 3.27Å; K568-W570 PolarHBondContact O-N 2.78Å; K568-W570 VanDerWaalsContact O-N 3.15Å; W570-C572 PolarHBondContact O-N 3.27Å
571	D	41	Very low	35	Very low	63 Å²	63	97.4 Å²	97.4	34%	0.337	54%	0.539	S	S	.	.	H	α-helix	trans	-76.5	-4.5	-173	-71.9	-39.4	0	0	0	114.5	K568 Y573 R574 S575	K568-D571 WeakPolarHBondContact CB-OD2 3.34Å; D571-Y573 PolarHBondContact O-N 3.11Å; D571-R574 PolarHBondContact O-N 3.35Å; D571-R574 VanDerWaalsContact O-N 3.17Å; D571-R574 WeakPolarHBondContact OD1-CD 3.21Å; D571-R574 IonicContact OD1-NE 3.72Å; D571-R574 PolarHBondContact OD1-NE 3.46Å; D571-S575 WeakPolarHBondContact O-CB 3.22Å; D571-S575 PolarHBondContact O-N 2.81Å
572	C	37.7	Very low	34.7	Very low	64 Å²	64	94.4 Å²	94.4	43%	0.432	51%	0.514	S	S	.	.	H	α-helix	trans	-65.1	-23.9	177.3	62.8	0	0	0	0	114.1	W570	W570-C572 PolarHBondContact O-N 3.27Å
573	Y	41.3	Very low	35	Very low	21 Å²	21	87 Å²	87	8%	0.082	48%	0.476	C	S	.	.	H	α-helix	trans	-89.8	-35.6	168.7	-92.6	-92.5	0	0	0	112.4	Y129 Y206 M239 D571 S575 A578	Y129-Y573 HydrophobicContact CD2-CD1 4.49Å; Y129-Y573 HydrophobicContact CD2-CE1 4.16Å; Y129-Y573 AromaticContact CE2-CD1 3.48Å; Y129-Y573 HydrophobicContact CE2-CD1 3.48Å; Y129-Y573 VanDerWaalsContact CE2-CD1 3.48Å; Y129-Y573 AromaticContact CE2-CD2 3.9Å; Y129-Y573 HydrophobicContact CE2-CD2 3.9Å; Y129-Y573 AromaticContact CE2-CE1 3.55Å; Y129-Y573 HydrophobicContact CE2-CE1 3.55Å; Y129-Y573 AromaticContact CE2-CE2 3.98Å; Y129-Y573 HydrophobicContact CE2-CE2 3.98Å; Y129-Y573 AromaticContact CE2-CG 3.64Å; Y129-Y573 HydrophobicContact CE2-CG 3.64Å; Y129-Y573 AromaticContact CE2-CZ 3.8Å; Y129-Y573 AromaticContact CZ-CD1 3.85Å; Y129-Y573 VanDerWaalsContact OH-CB 3.26Å; Y129-Y573 WeakPolarHBondContact OH-CB 3.28Å; Y206-Y573 PolarHBondContact OH-OH 3.11Å; M239-Y573 HydrophobicContact CG-CD2 4.46Å; M239-Y573 HydrophobicContact CG-CE2 3.7Å; M239-Y573 HydrophobicContact SD-CE2 3.75Å; D571-Y573 PolarHBondContact O-N 3.11Å; Y573-S575 VanDerWaalsContact C-N 3.25Å; Y573-S575 PolarHBondContact O-N 3.24Å; Y573-A578 HydrophobicContact CD1-CB 4.36Å; Y573-A578 VanDerWaalsContact O-CB 3.23Å; Y573-A578 WeakPolarHBondContact O-CB 3.24Å; Y573-A578 PolarHBondContact O-N 3.11Å
574	R	37.7	Very low	35.4	Very low	209 Å²	209	84.7 Å²	84.7	79%	0.789	45%	0.449	S	S	*	.	H	α-helix	trans	-65.8	-27.4	179.7	-166.9	179.2	-64.4	-115.5	-8	112.7	D571 G576	D571-R574 PolarHBondContact O-N 3.35Å; D571-R574 VanDerWaalsContact O-N 3.17Å; D571-R574 WeakPolarHBondContact OD1-CD 3.21Å; D571-R574 IonicContact OD1-NE 3.72Å; D571-R574 PolarHBondContact OD1-NE 3.46Å; R574-G576 PolarHBondContact O-N 3.4Å
575	S	36.4	Very low	35.8	Very low	74 Å²	74	78.2 Å²	78.2	52%	0.517	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	76.1	178.4	-167.9	0	0	0	0	112	D571 Y573 V577	D571-S575 WeakPolarHBondContact O-CB 3.22Å; D571-S575 PolarHBondContact O-N 2.81Å; Y573-S575 VanDerWaalsContact C-N 3.25Å; Y573-S575 PolarHBondContact O-N 3.24Å; S575-V577 PolarHBondContact O-N 2.7Å
576	G	36	Very low	36.3	Very low	44 Å²	44	71 Å²	71	45%	0.454	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	-20.4	163	0	0	0	0	0	118.3	R574 S580	R574-G576 PolarHBondContact O-N 3.4Å; G576-S580 PolarHBondContact O-OG 2.95Å
577	V	36.7	Very low	36.6	Very low	39 Å²	39	66.3 Å²	66.3	24%	0.236	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-33.4	-178.6	-168.7	0	0	0	0	112.3	L205 S575 D579 S580	L205-V577 HydrophobicContact CD1-CG1 4.18Å; S575-V577 PolarHBondContact O-N 2.7Å; V577-D579 VanDerWaalsContact C-N 3.32Å; V577-D579 PolarHBondContact O-N 2.89Å; V577-S580 PolarHBondContact O-N 3.25Å; V577-S580 PolarHBondContact O-OG 3.17Å
578	A	34.8	Very low	36.9	Very low	18 Å²	18	67 Å²	67	15%	0.149	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-28.6	-178.3	0	0	0	0	0	114.3	R545 Y573	R545-A578 PolarHBondContact NH1-O 3.35Å; Y573-A578 HydrophobicContact CD1-CB 4.36Å; Y573-A578 VanDerWaalsContact O-CB 3.23Å; Y573-A578 WeakPolarHBondContact O-CB 3.24Å; Y573-A578 PolarHBondContact O-N 3.11Å
579	D	29.4	Very low	37.6	Very low	108 Å²	108	62.9 Å²	62.9	58%	0.578	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-4.5	-178.5	-59.9	-29.6	0	0	0	112.9	R545 V577	R545-D579 IonicContact CZ-OD1 3.87Å; R545-D579 IonicContact NH1-OD1 2.72Å; R545-D579 IonicContact NH2-OD1 2.7Å; R545-D579 PolarHBondContact NH2-OD1 3.07Å; V577-D579 VanDerWaalsContact C-N 3.32Å; V577-D579 PolarHBondContact O-N 2.89Å
580	S	31.9	Very low	38.1	Very low	50 Å²	50	59.3 Å²	59.3	35%	0.35	33%	0.332	S	S	.	.	S	Bend	trans	-102.1	55	166.6	49.3	0	0	0	0	110.9	G576 V577 F582	G576-S580 PolarHBondContact O-OG 2.95Å; V577-S580 PolarHBondContact O-N 3.25Å; V577-S580 PolarHBondContact O-OG 3.17Å; S580-F582 WeakPolarHBondContact O-CD2 3.39Å; S580-F582 PolarHBondContact O-N 2.91Å
581	A	32	Very low	38.6	Very low	38 Å²	38	57.9 Å²	57.9	31%	0.314	33%	0.329	S	S	.	.			trans	-65.9	91.1	175.7	0	0	0	0	0	111.2	V548 S583	V548-A581 HydrophobicContact CB-CB 4.18Å; A581-S583 PolarHBondContact O-N 2.9Å
582	F	31.8	Very low	39.1	Very low	83 Å²	83	59.3 Å²	59.3	36%	0.364	33%	0.334	S	S	.	.			trans	-72.5	66.5	175	-78.9	-82.9	0	0	0	112.3	P204 L553 S580 I584	P204-F582 HydrophobicContact CG-CB 4.26Å; L553-F582 HydrophobicContact CD1-CE1 4.42Å; L553-F582 HydrophobicContact CD2-CZ 4.46Å; S580-F582 WeakPolarHBondContact O-CD2 3.39Å; S580-F582 PolarHBondContact O-N 2.91Å; F582-I584 PolarHBondContact O-N 3.4Å
583	S	35.2	Very low	39.9	Very low	15 Å²	15	58.4 Å²	58.4	11%	0.105	33%	0.326	C	S	.	.			trans	-75.5	98.3	162.3	-171.3	0	0	0	0	108.8	V548 A581 S585	V548-S583 WeakPolarHBondContact O-CB 3.44Å; A581-S583 PolarHBondContact O-N 2.9Å; S583-S585 PolarHBondContact O-N 3.21Å; S583-S585 PolarHBondContact OG-OG 3.33Å
584	I	38.9	Very low	40.7	Very low	19 Å²	19	57.9 Å²	57.9	10%	0.097	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	63.8	173.8	-45.1	175.3	0	0	0	108.8	F582 C587 V590 T593 Y594	F582-I584 PolarHBondContact O-N 3.4Å; I584-C587 HydrophobicContact CG2-CB 3.99Å; I584-V590 HydrophobicContact CB-CG1 4.17Å; I584-V590 HydrophobicContact CG2-CB 4.38Å; I584-V590 HydrophobicContact CG2-CG1 3.81Å; I584-V590 HydrophobicContact CG2-CG2 4.46Å; I584-V590 WeakPolarHBondContact O-CG1 3.23Å; I584-T593 HydrophobicContact CG2-CG2 3.99Å; I584-Y594 HydrophobicContact CD1-CD2 3.92Å
585	S	38.4	Very low	41.5	Very low	27 Å²	27	52.9 Å²	52.9	19%	0.189	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-40.6	167	21	0	0	0	0	110.5	S583 C587	S583-S585 PolarHBondContact O-N 3.21Å; S583-S585 PolarHBondContact OG-OG 3.33Å; S585-C587 PolarHBondContact O-N 2.94Å
586	D	39.8	Very low	42.3	Very low	52 Å²	52	52.7 Å²	52.7	28%	0.278	30%	0.299	S	S	.	.	S	Bend	trans	-93.1	52.6	-167.5	-59.2	25.3	0	0	0	113.6	T54 S549	T54-D586 WeakPolarHBondContact CG2-OD1 3.36Å; T54-D586 WeakPolarHBondContact CG2-OD2 3.26Å; T54-D586 PolarHBondContact OG1-OD1 2.89Å; T54-D586 PolarHBondContact OG1-OD2 2.95Å; S549-D586 WeakPolarHBondContact CB-OD2 3.39Å; S549-D586 WeakPolarHBondContact OG-CB 3.39Å; S549-D586 PolarHBondContact OG-OD1 3.18Å; S549-D586 PolarHBondContact OG-OD2 3.32Å
587	C	35.4	Very low	43.1	Very low	38 Å²	38	52.7 Å²	52.7	26%	0.257	30%	0.295	S	S	.	.			trans	-145.6	121.1	179.9	-86.7	0	0	0	0	113.7	I584 S585 N589 V590 T593	I584-C587 HydrophobicContact CG2-CB 3.99Å; S585-C587 PolarHBondContact O-N 2.94Å; C587-N589 CarbonylContact O-C 3.56Å; C587-N589 PolarHBondContact O-N 3.28Å; C587-V590 WeakPolarHBondContact O-CG2 3.48Å; C587-V590 PolarHBondContact O-N 2.81Å; C587-T593 HydrophobicContact CB-CG2 4.28Å; C587-T593 VanDerWaalsContact CB-OG1 3.26Å; C587-T593 WeakPolarHBondContact CB-OG1 3.29Å; C587-T593 VanDerWaalsContact SG-CG2 3.57Å; C587-T593 PolarHBondContact SG-OG1 3.44Å
588	D	39.6	Very low	43.6	Very low	147 Å²	147	53.3 Å²	53.3	79%	0.786	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.2	-26.1	-176.3	-38.6	-15.8	0	0	0	115
589	N	50	Low	44	Very low	70 Å²	70	55.4 Å²	55.4	37%	0.374	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.5	91.1	163.3	-173.5	5.8	0	0	0	108.7	C587 T591 E592 T593	C587-N589 CarbonylContact O-C 3.56Å; C587-N589 PolarHBondContact O-N 3.28Å; N589-T591 PolarHBondContact O-N 3.45Å; N589-T591 VanDerWaalsContact O-N 3.14Å; N589-T591 WeakPolarHBondContact OD1-CB 3.3Å; N589-T591 PolarHBondContact OD1-OG1 2.98Å; N589-E592 HydrophobicContact CB-CB 3.83Å; N589-E592 WeakPolarHBondContact ND2-CB 3.5Å; N589-E592 PolarHBondContact ND2-OE2 3.21Å; N589-E592 CarbonylContact O-C 3.58Å; N589-E592 WeakPolarHBondContact O-CA 3.44Å; N589-E592 WeakPolarHBondContact O-CB 3.3Å; N589-E592 PolarHBondContact O-N 2.92Å; N589-T593 PolarHBondContact O-N 2.69Å
590	V	51.3	Low	44.6	Very low	15 Å²	15	57.1 Å²	57.1	9%	0.091	32%	0.316	C	S	.	.	H	α-helix	trans	-48.8	-42.5	-179.4	177.3	0	0	0	0	111.9	T199 F200 C201 I584 C587 E592 T593 Y594	T199-V590 HydrophobicContact CG2-CB 4.02Å; T199-V590 HydrophobicContact CG2-CG1 4.27Å; F200-V590 WeakPolarHBondContact O-CG1 3.47Å; C201-V590 HydrophobicContact CB-CG1 3.69Å; I584-V590 HydrophobicContact CB-CG1 4.17Å; I584-V590 HydrophobicContact CG2-CB 4.38Å; I584-V590 HydrophobicContact CG2-CG1 3.81Å; I584-V590 HydrophobicContact CG2-CG2 4.46Å; I584-V590 WeakPolarHBondContact O-CG1 3.23Å; C587-V590 WeakPolarHBondContact O-CG2 3.48Å; C587-V590 PolarHBondContact O-N 2.81Å; V590-E592 PolarHBondContact O-N 3.42Å; V590-T593 PolarHBondContact O-N 2.87Å; V590-Y594 VanDerWaalsContact O-CB 3.25Å; V590-Y594 WeakPolarHBondContact O-CB 3.36Å; V590-Y594 PolarHBondContact O-N 3.2Å
591	T	54.6	Low	45.3	Very low	21 Å²	21	62.5 Å²	62.5	13%	0.129	33%	0.328	C	S	.	.	H	α-helix	trans	-47.5	-41.1	170.2	-39.1	0	0	0	0	113.9	Q198 F200 N589 K595	Q198-T591 WeakPolarHBondContact O-CG2 3.39Å; F200-T591 HydrophobicContact CD2-CG2 3.47Å; F200-T591 VanDerWaalsContact CD2-CG2 3.47Å; F200-T591 HydrophobicContact CE2-CG2 3.57Å; N589-T591 PolarHBondContact O-N 3.45Å; N589-T591 VanDerWaalsContact O-N 3.14Å; N589-T591 WeakPolarHBondContact OD1-CB 3.3Å; N589-T591 PolarHBondContact OD1-OG1 2.98Å; T591-K595 HydrophobicContact CG2-CD 4.43Å; T591-K595 WeakPolarHBondContact O-CD 3.38Å; T591-K595 VanDerWaalsContact O-CG 3.23Å; T591-K595 WeakPolarHBondContact O-CG 3.42Å; T591-K595 PolarHBondContact O-N 3.45Å; T591-K595 VanDerWaalsContact O-N 3.11Å
592	E	52.3	Low	45.5	Very low	93 Å²	93	62.5 Å²	62.5	44%	0.435	33%	0.332	S	S	.	.	H	α-helix	trans	-95.3	-34.4	-169.5	-169.6	171.3	170.8	0	0	111.7	N589 V590 Y594 K595 Q596	N589-E592 HydrophobicContact CB-CB 3.83Å; N589-E592 WeakPolarHBondContact ND2-CB 3.5Å; N589-E592 PolarHBondContact ND2-OE2 3.21Å; N589-E592 CarbonylContact O-C 3.58Å; N589-E592 WeakPolarHBondContact O-CA 3.44Å; N589-E592 WeakPolarHBondContact O-CB 3.3Å; N589-E592 PolarHBondContact O-N 2.92Å; V590-E592 PolarHBondContact O-N 3.42Å; E592-Y594 VanDerWaalsContact C-N 3.26Å; E592-Y594 PolarHBondContact O-N 2.87Å; E592-K595 CarbonylContact O-C 3.51Å; E592-K595 PolarHBondContact O-N 2.81Å; E592-Q596 HydrophobicContact CG-CG 4.43Å; E592-Q596 VanDerWaalsContact O-CB 3.24Å; E592-Q596 WeakPolarHBondContact O-CB 3.5Å; E592-Q596 WeakPolarHBondContact O-CG 3.37Å; E592-Q596 PolarHBondContact O-N 3.01Å
593	T	53.5	Low	45.6	Very low	45 Å²	45	63 Å²	63	28%	0.276	35%	0.346	S	S	.	.	H	α-helix	trans	-60.5	-40.5	163.7	-66.5	0	0	0	0	110.7	I584 C587 N589 V590 Q596 A597	I584-T593 HydrophobicContact CG2-CG2 3.99Å; C587-T593 HydrophobicContact CB-CG2 4.28Å; C587-T593 VanDerWaalsContact CB-OG1 3.26Å; C587-T593 WeakPolarHBondContact CB-OG1 3.29Å; C587-T593 VanDerWaalsContact SG-CG2 3.57Å; C587-T593 PolarHBondContact SG-OG1 3.44Å; N589-T593 PolarHBondContact O-N 2.69Å; V590-T593 PolarHBondContact O-N 2.87Å; T593-Q596 PolarHBondContact O-N 3.03Å; T593-A597 WeakPolarHBondContact O-CB 3.43Å; T593-A597 PolarHBondContact O-N 2.66Å
594	Y	58.9	Low	45.4	Very low	11 Å²	11	66.6 Å²	66.6	4%	0.043	38%	0.376	C	S	.	.	H	α-helix	trans	-59.1	-50.1	172.8	-162.9	-89.4	0	0	0	111.6	F200 I211 V212 I584 V590 E592 Q596 A597 M598	F200-Y594 HydrophobicContact CB-CD1 3.77Å; F200-Y594 HydrophobicContact CB-CE1 4.24Å; F200-Y594 HydrophobicContact CB-CG 3.95Å; I211-Y594 HydrophobicContact CG2-CE1 4.38Å; I211-Y594 HydrophobicContact CG2-CE2 4.31Å; I211-Y594 WeakPolarHBondContact O-CE1 3.49Å; V212-Y594 WeakPolarHBondContact CA-OH 3.15Å; V212-Y594 WeakPolarHBondContact CG1-OH 3.22Å; I584-Y594 HydrophobicContact CD1-CD2 3.92Å; V590-Y594 VanDerWaalsContact O-CB 3.25Å; V590-Y594 WeakPolarHBondContact O-CB 3.36Å; V590-Y594 PolarHBondContact O-N 3.2Å; E592-Y594 VanDerWaalsContact C-N 3.26Å; E592-Y594 PolarHBondContact O-N 2.87Å; Y594-Q596 VanDerWaalsContact C-N 3.33Å; Y594-Q596 PolarHBondContact O-N 3.48Å; Y594-A597 PolarHBondContact O-N 2.93Å; Y594-M598 HydrophobicContact CD1-CE 4.24Å; Y594-M598 HydrophobicContact CD1-CG 4.47Å; Y594-M598 HydrophobicContact CE1-CE 3.43Å; Y594-M598 VanDerWaalsContact CE1-CE 3.43Å; Y594-M598 HydrophobicContact CE1-CG 4.48Å; Y594-M598 VanDerWaalsContact O-CG 3.28Å; Y594-M598 WeakPolarHBondContact O-CG 3.41Å; Y594-M598 PolarHBondContact O-N 3.12Å; Y594-M598 VanDerWaalsContact O-N 3.11Å
595	K	53.9	Low	45.4	Very low	103 Å²	103	69.3 Å²	69.3	45%	0.448	40%	0.401	S	S	.	.	H	α-helix	trans	-63.7	-32.3	174.6	-74.2	166.7	179.4	173.8	0	113.5	T591 E592 A599	T591-K595 HydrophobicContact CG2-CD 4.43Å; T591-K595 WeakPolarHBondContact O-CD 3.38Å; T591-K595 VanDerWaalsContact O-CG 3.23Å; T591-K595 WeakPolarHBondContact O-CG 3.42Å; T591-K595 PolarHBondContact O-N 3.45Å; T591-K595 VanDerWaalsContact O-N 3.11Å; E592-K595 CarbonylContact O-C 3.51Å; E592-K595 PolarHBondContact O-N 2.81Å; K595-A599 WeakPolarHBondContact O-CB 3.44Å; K595-A599 PolarHBondContact O-N 3.37Å
596	Q	53	Low	45	Very low	70 Å²	70	76.2 Å²	76.2	33%	0.327	45%	0.45	S	S	.	.	H	α-helix	trans	-77	-33.4	178	-75.7	-175.5	35.2	0	0	111.8	E592 T593 Y594 M598 A599 K600	E592-Q596 HydrophobicContact CG-CG 4.43Å; E592-Q596 VanDerWaalsContact O-CB 3.24Å; E592-Q596 WeakPolarHBondContact O-CB 3.5Å; E592-Q596 WeakPolarHBondContact O-CG 3.37Å; E592-Q596 PolarHBondContact O-N 3.01Å; T593-Q596 PolarHBondContact O-N 3.03Å; Y594-Q596 VanDerWaalsContact C-N 3.33Å; Y594-Q596 PolarHBondContact O-N 3.48Å; Q596-M598 VanDerWaalsContact C-N 3.34Å; Q596-A599 PolarHBondContact O-N 2.84Å; Q596-K600 HydrophobicContact CB-CD 4.23Å; Q596-K600 WeakPolarHBondContact O-CB 3.2Å; Q596-K600 WeakPolarHBondContact O-CG 3.15Å; Q596-K600 PolarHBondContact O-N 3.48Å; Q596-K600 VanDerWaalsContact OE1-CE 3.3Å
597	A	53.6	Low	45.2	Very low	45 Å²	45	77.4 Å²	77.4	37%	0.372	46%	0.458	S	S	.	.	H	α-helix	trans	-62.2	-43.4	169.4	0	0	0	0	0	110.9	T593 Y594	T593-A597 WeakPolarHBondContact O-CB 3.43Å; T593-A597 PolarHBondContact O-N 2.66Å; Y594-A597 PolarHBondContact O-N 2.93Å
598	M	48	Very low	45.7	Very low	51 Å²	51	79.5 Å²	79.5	25%	0.251	47%	0.469	S	S	.	.	H	α-helix	trans	-62.7	-45.7	172.2	-64.3	-73.9	177.3	0	0	112.3	V212 H246 V250 Y594 Q596	V212-M598 HydrophobicContact CB-CE 4.12Å; V212-M598 WeakPolarHBondContact O-CE 2.99Å; H246-M598 PolarHBondContact NE2-SD 2.98Å; H246-M598 VanDerWaalsContact NE2-SD 3.45Å; V250-M598 HydrophobicContact CG2-CE 3.73Å; V250-M598 HydrophobicContact CG2-SD 3.79Å; Y594-M598 HydrophobicContact CD1-CE 4.24Å; Y594-M598 HydrophobicContact CD1-CG 4.47Å; Y594-M598 HydrophobicContact CE1-CE 3.43Å; Y594-M598 VanDerWaalsContact CE1-CE 3.43Å; Y594-M598 HydrophobicContact CE1-CG 4.48Å; Y594-M598 VanDerWaalsContact O-CG 3.28Å; Y594-M598 WeakPolarHBondContact O-CG 3.41Å; Y594-M598 PolarHBondContact O-N 3.12Å; Y594-M598 VanDerWaalsContact O-N 3.11Å; Q596-M598 VanDerWaalsContact C-N 3.34Å
599	A	42.9	Very low	46.1	Very low	63 Å²	63	75.7 Å²	75.7	52%	0.521	45%	0.451	S	S	.	.	H	α-helix	trans	-82.7	-45.7	-171.4	0	0	0	0	0	114.6	K595 Q596 R601 G602 S603	K595-A599 WeakPolarHBondContact O-CB 3.44Å; K595-A599 PolarHBondContact O-N 3.37Å; Q596-A599 PolarHBondContact O-N 2.84Å; A599-R601 VanDerWaalsContact C-N 3.27Å; A599-R601 PolarHBondContact O-N 2.87Å; A599-G602 WeakPolarHBondContact O-CA 3.37Å; A599-G602 PolarHBondContact O-N 3.4Å; A599-S603 PolarHBondContact O-N 2.9Å
600	K	42.3	Very low	45.9	Very low	143 Å²	143	76.1 Å²	76.1	62%	0.622	46%	0.456	S	S	*	.	H	α-helix	trans	-64.1	-30.2	-175.1	-72.6	174.7	168	167.7	0	112.5	Q596	Q596-K600 HydrophobicContact CB-CD 4.23Å; Q596-K600 WeakPolarHBondContact O-CB 3.2Å; Q596-K600 WeakPolarHBondContact O-CG 3.15Å; Q596-K600 PolarHBondContact O-N 3.48Å; Q596-K600 VanDerWaalsContact OE1-CE 3.3Å
601	R	45.7	Very low	45.5	Very low	164 Å²	164	79.9 Å²	79.9	62%	0.619	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-3.7	171.5	-71.5	-175.3	171.6	-175	-2.7	113.9	K247 A599	K247-R601 WeakPolarHBondContact CE-O 3.28Å; K247-R601 PolarHBondContact NZ-O 3.28Å; A599-R601 VanDerWaalsContact C-N 3.27Å; A599-R601 PolarHBondContact O-N 2.87Å
602	G	36.3	Very low	44.9	Very low	37 Å²	37	83.8 Å²	83.8	38%	0.381	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-54.6	163.9	0	0	0	0	0	111.1	A599 A604	A599-G602 WeakPolarHBondContact O-CA 3.37Å; A599-G602 PolarHBondContact O-N 3.4Å; G602-A604 VanDerWaalsContact C-N 3.32Å; G602-A604 PolarHBondContact O-N 3.4Å
603	S	33.5	Very low	44.4	Very low	95 Å²	95	83.1 Å²	83.1	66%	0.664	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-0.9	-170.9	-162.1	0	0	0	0	116.3	A599 A605	A599-S603 PolarHBondContact O-N 2.9Å; S603-A605 PolarHBondContact O-N 3.3Å
604	A	32.5	Very low	43.7	Very low	89 Å²	89	86.1 Å²	86.1	74%	0.736	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	20.3	177.2	0	0	0	0	0	113.1	G602	G602-A604 VanDerWaalsContact C-N 3.32Å; G602-A604 PolarHBondContact O-N 3.4Å
605	A	37.2	Very low	42.4	Very low	76 Å²	76	92.3 Å²	92.3	63%	0.628	56%	0.564	S	S	*	*			trans	-152.2	69.6	-178.6	0	0	0	0	0	109.8	S603	S603-A605 PolarHBondContact O-N 3.3Å
606	S	30.3	Very low	41.4	Very low	172 Å²	172	91.4 Å²	91.4	100%	1.203	58%	0.575	S	S	*	*			trans	-143.2	0	172.8	61.6	0	0	0	0	109.3

Retrieved 606 of 606 residues in 580.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).