A0A2K5LXW1_CERAT Loading...

Zinc finger protein PLAG1

AlphaFold DB , UniProt , Accession A0A2K5LXW1, Species CERAT (Cercocebus atys, Sooty mangabey), Gene PLAG1, Length 500 aa.

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(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	35.3	Very low	33.2	Very low	244 Å²	244	136.6 Å²	136.6	100%	1.202	81%	0.813	S	S	*	*				0	149.5	0	-76.9	171.5	164.8	0	0	108.7
2	A	35.1	Very low	33.3	Very low	96 Å²	96	137.3 Å²	137.3	79%	0.793	82%	0.818	S	S	*	*			trans	46.4	95.7	164.9	0	0	0	0	0	118.9
3	T	30.4	Very low	33.6	Very low	143 Å²	143	143.2 Å²	143.2	88%	0.877	82%	0.818	S	S	*	*			trans	-96.4	130.3	156.4	-48.1	0	0	0	0	108.5
4	V	31.2	Very low	33.9	Very low	120 Å²	120	141.5 Å²	141.5	73%	0.727	81%	0.805	S	S	*	*			trans	-138.6	99.9	176.8	-174.1	0	0	0	0	113.1
5	I	34.7	Very low	34.2	Very low	142 Å²	142	141.2 Å²	141.2	73%	0.728	81%	0.807	S	S	*	*			trans	41.7	120.4	133.3	-54.6	172.1	0	0	0	119.5
6	P	36.8	Very low	34.6	Very low	127 Å²	127	142.3 Å²	142.3	83%	0.825	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-80.8	137.3	152.2	34.2	-30.7	0	0	0	111.1
7	G	31.2	Very low	34.7	Very low	80 Å²	80	145.9 Å²	145.9	83%	0.825	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-87.9	127	-179.1	0	0	0	0	0	113.6
8	D	29.7	Very low	35	Very low	147 Å²	147	145.4 Å²	145.4	79%	0.786	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-97.2	151	168.9	-167.5	5.6	0	0	0	110.3
9	L	36.4	Very low	35.3	Very low	172 Å²	172	143.7 Å²	143.7	90%	0.901	81%	0.805	S	S	*	*			trans	-156.4	100.9	170.5	-116.7	176	0	0	0	110.5
10	S	31.6	Very low	35.7	Very low	86 Å²	86	143.2 Å²	143.2	60%	0.601	81%	0.812	S	S	*	*			trans	-95	171.1	-179	58.4	0	0	0	0	112.8
11	E	32.7	Very low	35.7	Very low	146 Å²	146	139.3 Å²	139.3	68%	0.682	80%	0.803	S	S	*	*			trans	60.1	103.2	164.5	-54.9	-147.9	115.3	0	0	119.6
12	V	34.9	Very low	36.2	Very low	144 Å²	144	138 Å²	138	87%	0.873	79%	0.791	S	S	*	*				-128.4	112.9	127.4	-178.3	0	0	0	0	108.4
13	R	37.2	Very low	36.4	Very low	215 Å²	215	145 Å²	145	81%	0.811	80%	0.797	S	S	*	*			trans	-90.8	129.7	159.9	-68.1	177.5	-178.6	169.8	2.3	108
14	D	36.8	Very low	36.9	Very low	119 Å²	119	148.5 Å²	148.5	64%	0.636	80%	0.8	S	S	*	*			trans	-144.7	136.1	152.9	-159.9	-14	0	0	0	109.9	Q16	D14-Q16 PolarHBondContact OD2-NE2 3.49Å
15	T	39.7	Very low	37.6	Very low	137 Å²	137	154.9 Å²	154.9	84%	0.84	81%	0.811	S	S	*	*			trans	-117.7	88.2	-172.1	49.1	0	0	0	0	110.1
16	Q	40.3	Very low	38.2	Very low	159 Å²	159	151.4 Å²	151.4	74%	0.743	81%	0.81	S	S	*	*			trans	-114.4	123.3	177.3	-60.8	-157.4	20	0	0	113.8	D14 V18	D14-Q16 PolarHBondContact OD2-NE2 3.49Å; Q16-V18 PolarHBondContact O-N 2.99Å
17	K	36.4	Very low	38.6	Very low	204 Å²	204	153.7 Å²	153.7	89%	0.887	81%	0.809	S	S	*	*			trans	-77.9	109.2	-174.8	173.5	-174.2	177.4	-177.2	0	110.7	P19	K17-P19 WeakPolarHBondContact O-CD 3.3Å
18	V	39	Very low	39.7	Very low	136 Å²	136	156.9 Å²	156.9	82%	0.824	81%	0.813	S	S	*	*			trans	-78.9	121.9	-178.4	-178.1	0	0	0	0	111.8	Q16	Q16-V18 PolarHBondContact O-N 2.99Å
19	P	42.3	Very low	40.8	Very low	114 Å²	114	158 Å²	158	74%	0.74	81%	0.811	S	S	*	*			trans	-77.7	150.7	174.5	-13.9	30.7	0	0	0	113.3	K17 G21	K17-P19 WeakPolarHBondContact O-CD 3.3Å; P19-G21 VanDerWaalsContact C-N 3.33Å; P19-G21 PolarHBondContact O-N 3.22Å
20	S	42.1	Very low	41.4	Very low	133 Å²	133	155.7 Å²	155.7	93%	0.93	81%	0.806	S	S	*	*			trans	-77.6	67.9	-178.7	40.7	0	0	0	0	114
21	G	35.7	Very low	42.6	Very low	61 Å²	61	160.8 Å²	160.8	63%	0.629	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-84	122.5	177.5	0	0	0	0	0	114.8	P19 R23	P19-G21 VanDerWaalsContact C-N 3.33Å; P19-G21 PolarHBondContact O-N 3.22Å; G21-R23 PolarHBondContact O-N 2.62Å
22	K	45.6	Very low	44.3	Very low	218 Å²	218	162.3 Å²	162.3	95%	0.948	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-64.3	117.7	172.4	-63.1	173.9	-177.7	173.2	0	110.4
23	R	40.9	Very low	46.3	Very low	242 Å²	242	159.8 Å²	159.8	91%	0.913	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-95	131.5	178.2	-72	-170.5	171.5	-170.5	-3.4	112.8	G21	G21-R23 PolarHBondContact O-N 2.62Å
24	K	40	Very low	48.4	Very low	216 Å²	216	153.1 Å²	153.1	94%	0.939	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-70.3	164.5	173.1	-80.8	-177.6	174.7	178.7	0	111.7
25	R	45.5	Very low	50.6	Low	254 Å²	254	150.8 Å²	150.8	96%	0.958	77%	0.767	S	S	*	*	S	Bend	trans	-83.3	133.2	-179.3	173.3	-175.4	-179.3	178.4	0	111.3
26	G	47.5	Very low	52.7	Low	69 Å²	69	145 Å²	145	71%	0.711	73%	0.731	S	S	*	*			trans	123.8	85.3	159.5	0	0	0	0	0	115.7
27	E	46.3	Very low	54.6	Low	175 Å²	175	145.4 Å²	145.4	82%	0.818	73%	0.733	S	S	*	*			trans	-168	108.1	154	-120.8	175.5	-133.5	0	0	109.5	K29	E27-K29 PolarHBondContact O-N 2.89Å
28	T	52.5	Low	56.5	Low	148 Å²	148	141.4 Å²	141.4	91%	0.908	72%	0.721	S	S	*	*			trans	-89.6	82	-178	42	0	0	0	0	111.4
29	K	54.7	Low	58.7	Low	171 Å²	171	136.5 Å²	136.5	74%	0.743	69%	0.692	S	S	*	*			trans	-51.7	138.4	168.7	-68.9	-169.1	175.8	-169.3	0	110.6	E27 R31	E27-K29 PolarHBondContact O-N 2.89Å; K29-R31 PolarHBondContact O-N 3.14Å
30	P	47.3	Very low	60.5	Low	122 Å²	122	139.1 Å²	139.1	79%	0.792	70%	0.7	S	S	*	*			trans	-60	125.7	-178.5	24	-33.6	0	0	0	110.4	K32	P30-K32 PolarHBondContact O-N 3.35Å
31	R	57.5	Low	62.4	Low	194 Å²	194	136.6 Å²	136.6	73%	0.732	67%	0.672	S	S	*	*			trans	-73.9	94.1	178.8	-68.2	-177.6	-178.7	-89.4	4.2	109.3	K29 N33	K29-R31 PolarHBondContact O-N 3.14Å; R31-N33 PolarHBondContact O-N 2.87Å
32	K	67.9	Low	64.8	Low	178 Å²	178	136.6 Å²	136.6	77%	0.774	67%	0.666	S	S	*	*			trans	-58	106.9	161.3	-80.9	-169.4	172.7	-174.8	0	108.1	P30 F34	P30-K32 PolarHBondContact O-N 3.35Å; K32-F34 WeakPolarHBondContact O-CE2 3.14Å
33	N	77.8	Confident	66.7	Low	91 Å²	91	128.4 Å²	128.4	49%	0.487	63%	0.631	S	S	.	*			trans	-88.1	143.8	170	-66.2	-33.2	0	0	0	108.4	R31 P35 A42 F43	R31-N33 PolarHBondContact O-N 2.87Å; N33-P35 WeakPolarHBondContact O-CD 3.46Å; N33-A42 HydrophobicContact CB-CB 4.32Å; N33-F43 CarbonylContact C-O 3.59Å; N33-F43 WeakPolarHBondContact CA-O 3.5Å
34	F	80.5	Confident	68.8	Low	74 Å²	74	120.8 Å²	120.8	33%	0.325	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.7	104.4	179.6	-58.4	-85.6	0	0	0	108	K32 F43 V46 L49	K32-F34 WeakPolarHBondContact O-CE2 3.14Å; F34-F43 WeakPolarHBondContact CD2-O 3.11Å; F34-F43 PolarHBondContact N-O 3.11Å; F34-F43 PolarHBondContact O-N 3.08Å; F34-V46 HydrophobicContact CD1-CG2 3.79Å; F34-V46 HydrophobicContact CD2-CG2 4.06Å; F34-V46 HydrophobicContact CE1-CG2 3.51Å; F34-V46 HydrophobicContact CE2-CG2 3.81Å; F34-V46 HydrophobicContact CG-CG2 4.06Å; F34-V46 HydrophobicContact CZ-CG2 3.52Å; F34-L49 HydrophobicContact CB-CB 4.41Å; F34-L49 HydrophobicContact CB-CD2 3.75Å
35	P	83	Confident	71	Confident	71 Å²	71	112 Å²	112	46%	0.461	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.9	142.5	177.8	29.6	-33.9	0	0	0	110.9	N33 Q37	N33-P35 WeakPolarHBondContact O-CD 3.46Å; P35-Q37 PolarHBondContact O-NE2 3.3Å
36	C	84.6	Confident	72.8	Confident	14 Å²	14	103.9 Å²	103.9	10%	0.095	55%	0.553	C	S	.	*			trans	-69.6	146.6	164.3	-164.2	0	0	0	0	109.9	L38 C39 K41 L49	C36-L38 VanDerWaalsContact C-N 3.34Å; C36-C39 WeakPolarHBondContact CB-O 3.24Å; C36-C39 VanDerWaalsContact O-O 3.14Å; C36-K41 WeakPolarHBondContact CB-O 3.45Å; C36-K41 PolarHBondContact N-O 3.17Å; C36-L49 HydrophobicContact CB-CD1 3.72Å
37	Q	79.2	Confident	74.4	Confident	168 Å²	168	107.7 Å²	107.7	79%	0.785	55%	0.552	S	S	*	*	S	Bend	trans	-89.9	-4	177.3	-56	-58.9	-73.1	0	0	112.3	P35	P35-Q37 PolarHBondContact O-NE2 3.3Å
38	L	77.8	Confident	76.1	Confident	120 Å²	120	104.3 Å²	104.3	63%	0.628	53%	0.534	S	S	*	.	S	Bend	trans	-118	-1.4	-176.1	-58.9	176.5	0	0	0	113	C36 H56	C36-L38 VanDerWaalsContact C-N 3.34Å; L38-H56 HydrophobicContact CD1-CB 3.66Å
39	C	83.6	Confident	77.6	Confident	33 Å²	33	99 Å²	99	22%	0.223	50%	0.5	C	S	.	.	S	Bend	trans	-171.3	165	167.7	63.3	0	0	0	0	110.6	C36 K41 H52	C36-C39 WeakPolarHBondContact CB-O 3.24Å; C36-C39 VanDerWaalsContact O-O 3.14Å; C39-K41 PolarHBondContact O-N 3.27Å; C39-H52 PolarHBondContact SG-NE2 2.79Å
40	D	81	Confident	79	Confident	169 Å²	169	96.8 Å²	96.8	90%	0.904	49%	0.491	S	S	*	.	S	Bend	trans	-72.1	13.7	-172.1	-44	-76.7	0	0	0	115.2	A42	D40-A42 PolarHBondContact O-N 3.04Å
41	K	82.3	Confident	80.6	Confident	80 Å²	80	93.7 Å²	93.7	35%	0.348	47%	0.47	S	S	.	.			trans	-83.3	112.4	-176.1	-62.1	178.8	-174.2	-178.8	0	109.6	C36 C39 F43 E362	C36-K41 WeakPolarHBondContact CB-O 3.45Å; C36-K41 PolarHBondContact N-O 3.17Å; C39-K41 PolarHBondContact O-N 3.27Å; K41-F43 HydrophobicContact CB-CE2 3.83Å; K41-F43 HydrophobicContact CB-CZ 3.97Å; K41-F43 WeakPolarHBondContact O-CD2 3.15Å; K41-F43 WeakPolarHBondContact O-CE2 3.47Å; K41-E362 IonicContact NZ-OE1 3.8Å; K41-E362 PolarHBondContact NZ-OE1 3.09Å
42	A	86.3	Confident	81.9	Confident	61 Å²	61	85.5 Å²	85.5	50%	0.504	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139	178.7	0	0	0	0	0	113.1	N33 D40	N33-A42 HydrophobicContact CB-CB 4.32Å; D40-A42 PolarHBondContact O-N 3.04Å
43	F	85.4	Confident	82.5	Confident	46 Å²	46	79 Å²	79	20%	0.202	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.7	-170.2	-62.7	-89.6	0	0	0	112.8	N33 F34 K41 S45 K48 L49 H52	N33-F43 CarbonylContact C-O 3.59Å; N33-F43 WeakPolarHBondContact CA-O 3.5Å; F34-F43 WeakPolarHBondContact CD2-O 3.11Å; F34-F43 PolarHBondContact N-O 3.11Å; F34-F43 PolarHBondContact O-N 3.08Å; K41-F43 HydrophobicContact CB-CE2 3.83Å; K41-F43 HydrophobicContact CB-CZ 3.97Å; K41-F43 WeakPolarHBondContact O-CD2 3.15Å; K41-F43 WeakPolarHBondContact O-CE2 3.47Å; F43-S45 PolarHBondContact O-N 3.12Å; F43-K48 HydrophobicContact CB-CB 4.07Å; F43-K48 HydrophobicContact CD1-CB 3.87Å; F43-K48 HydrophobicContact CG-CB 4.26Å; F43-L49 HydrophobicContact CB-CB 4.29Å; F43-L49 HydrophobicContact CD2-CB 4.15Å; F43-L49 HydrophobicContact CD2-CD1 3.99Å; F43-L49 HydrophobicContact CE2-CD1 4.3Å; F43-L49 HydrophobicContact CG-CB 4.4Å; F43-H52 HydrophobicContact CE1-CB 4.13Å; F43-H52 HydrophobicContact CE2-CB 3.92Å; F43-H52 AromaticContact CE2-CD2 3.24Å; F43-H52 WeakPolarHBondContact CE2-CD2 3.43Å; F43-H52 AromaticContact CE2-CG 3.73Å; F43-H52 HydrophobicContact CZ-CB 3.58Å; F43-H52 AromaticContact CZ-CD2 3.41Å; F43-H52 VanDerWaalsContact CZ-CD2 3.41Å; F43-H52 WeakPolarHBondContact CZ-CD2 3.41Å; F43-H52 AromaticContact CZ-CG 3.44Å; F43-H52 VanDerWaalsContact CZ-CG 3.44Å
44	N	85	Confident	82.9	Confident	83 Å²	83	76.4 Å²	76.4	44%	0.444	40%	0.4	S	S	.	.	S	Bend	trans	-83.6	20	178.6	66.8	8.4	0	0	0	115	K48	N44-K48 PolarHBondContact OD1-NZ 2.79Å
45	S	84.8	Confident	82.9	Confident	30 Å²	30	76.6 Å²	76.6	21%	0.21	41%	0.411	C	S	.	.	S	Bend	trans	-164.7	141.6	171.7	168.9	0	0	0	0	110.2	F43 E47 K48 L49	F43-S45 PolarHBondContact O-N 3.12Å; S45-E47 PolarHBondContact O-N 2.83Å; S45-E47 PolarHBondContact OG-N 3.32Å; S45-K48 PolarHBondContact O-N 2.6Å; S45-K48 VanDerWaalsContact O-N 3.09Å; S45-L49 PolarHBondContact O-N 3.49Å
46	V	83.5	Confident	82.8	Confident	85 Å²	85	76.9 Å²	76.9	52%	0.515	41%	0.406	S	S	.	.	H	α-helix	trans	-56.6	-37.5	173.6	-176	0	0	0	0	111.5	F34 K48 L49 K50	F34-V46 HydrophobicContact CD1-CG2 3.79Å; F34-V46 HydrophobicContact CD2-CG2 4.06Å; F34-V46 HydrophobicContact CE1-CG2 3.51Å; F34-V46 HydrophobicContact CE2-CG2 3.81Å; F34-V46 HydrophobicContact CG-CG2 4.06Å; F34-V46 HydrophobicContact CZ-CG2 3.52Å; V46-K48 VanDerWaalsContact C-N 3.27Å; V46-K48 PolarHBondContact O-N 3.47Å; V46-L49 PolarHBondContact O-N 2.7Å; V46-K50 PolarHBondContact O-N 3.25Å
47	E	82	Confident	82.5	Confident	149 Å²	149	80 Å²	80	70%	0.696	43%	0.425	S	S	*	.	H	α-helix	trans	-60.3	-37.9	177.5	-59.3	179.4	142.8	0	0	112.1	S45 K50 V51	S45-E47 PolarHBondContact O-N 2.83Å; S45-E47 PolarHBondContact OG-N 3.32Å; E47-K50 PolarHBondContact O-N 2.89Å; E47-V51 WeakPolarHBondContact O-CB 3.42Å; E47-V51 VanDerWaalsContact O-CG2 3.3Å; E47-V51 WeakPolarHBondContact O-CG2 3.31Å; E47-V51 PolarHBondContact O-N 3.28Å
48	K	82.2	Confident	82.5	Confident	103 Å²	103	74.2 Å²	74.2	45%	0.448	41%	0.41	S	S	.	.	H	α-helix	trans	-74.7	-37.1	180	-65.3	178	-172.7	172.4	0	111.1	F43 N44 S45 V46 V51 H52	F43-K48 HydrophobicContact CB-CB 4.07Å; F43-K48 HydrophobicContact CD1-CB 3.87Å; F43-K48 HydrophobicContact CG-CB 4.26Å; N44-K48 PolarHBondContact OD1-NZ 2.79Å; S45-K48 PolarHBondContact O-N 2.6Å; S45-K48 VanDerWaalsContact O-N 3.09Å; V46-K48 VanDerWaalsContact C-N 3.27Å; V46-K48 PolarHBondContact O-N 3.47Å; K48-V51 PolarHBondContact O-N 3.08Å; K48-H52 WeakPolarHBondContact O-CB 3.36Å; K48-H52 PolarHBondContact O-N 2.92Å
49	L	83.8	Confident	82.7	Confident	37 Å²	37	73.5 Å²	73.5	19%	0.194	40%	0.403	C	S	.	.	H	α-helix	trans	-62.8	-43.5	170.5	175.7	57.1	0	0	0	111	F34 C36 F43 S45 V46 H52 S53	F34-L49 HydrophobicContact CB-CB 4.41Å; F34-L49 HydrophobicContact CB-CD2 3.75Å; C36-L49 HydrophobicContact CB-CD1 3.72Å; F43-L49 HydrophobicContact CB-CB 4.29Å; F43-L49 HydrophobicContact CD2-CB 4.15Å; F43-L49 HydrophobicContact CD2-CD1 3.99Å; F43-L49 HydrophobicContact CE2-CD1 4.3Å; F43-L49 HydrophobicContact CG-CB 4.4Å; S45-L49 PolarHBondContact O-N 3.49Å; V46-L49 PolarHBondContact O-N 2.7Å; L49-H52 CarbonylContact O-C 3.47Å; L49-H52 WeakPolarHBondContact O-CA 3.29Å; L49-H52 WeakPolarHBondContact O-CB 3.28Å; L49-H52 PolarHBondContact O-N 2.97Å; L49-S53 PolarHBondContact O-N 3.27Å
50	K	82.8	Confident	82.7	Confident	124 Å²	124	79.3 Å²	79.3	54%	0.539	42%	0.42	S	S	.	.	H	α-helix	trans	-65.4	-38.6	175.9	-172	167.9	-176.2	169.7	0	112.9	V46 E47 H52 S53 Y54	V46-K50 PolarHBondContact O-N 3.25Å; E47-K50 PolarHBondContact O-N 2.89Å; K50-H52 PolarHBondContact O-N 3.47Å; K50-S53 PolarHBondContact O-N 2.87Å; K50-S53 PolarHBondContact O-OG 3.18Å; K50-Y54 WeakPolarHBondContact CE-OH 3.4Å; K50-Y54 HydrophobicContact CG-CE2 4.29Å; K50-Y54 WeakPolarHBondContact O-CD2 3.45Å
51	V	82.8	Confident	82.8	Confident	58 Å²	58	74.4 Å²	74.4	35%	0.352	40%	0.398	S	S	.	.	H	α-helix	trans	-66.8	-21.6	171.4	166.4	0	0	0	0	112.1	E47 K48 V74	E47-V51 WeakPolarHBondContact O-CB 3.42Å; E47-V51 VanDerWaalsContact O-CG2 3.3Å; E47-V51 WeakPolarHBondContact O-CG2 3.31Å; E47-V51 PolarHBondContact O-N 3.28Å; K48-V51 PolarHBondContact O-N 3.08Å; V51-V74 HydrophobicContact CG1-CG1 4.28Å; V51-V74 WeakPolarHBondContact O-CG1 3.42Å
52	H	83.6	Confident	82.8	Confident	21 Å²	21	74.8 Å²	74.8	10%	0.097	40%	0.398	C	S	.	.	H	α-helix	trans	-89.4	-35	173.4	174.5	46.4	0	0	0	113.6	C39 F43 K48 L49 K50 Y54 S55 H56	C39-H52 PolarHBondContact SG-NE2 2.79Å; F43-H52 HydrophobicContact CE1-CB 4.13Å; F43-H52 HydrophobicContact CE2-CB 3.92Å; F43-H52 AromaticContact CE2-CD2 3.24Å; F43-H52 WeakPolarHBondContact CE2-CD2 3.43Å; F43-H52 AromaticContact CE2-CG 3.73Å; F43-H52 HydrophobicContact CZ-CB 3.58Å; F43-H52 AromaticContact CZ-CD2 3.41Å; F43-H52 VanDerWaalsContact CZ-CD2 3.41Å; F43-H52 WeakPolarHBondContact CZ-CD2 3.41Å; F43-H52 AromaticContact CZ-CG 3.44Å; F43-H52 VanDerWaalsContact CZ-CG 3.44Å; K48-H52 WeakPolarHBondContact O-CB 3.36Å; K48-H52 PolarHBondContact O-N 2.92Å; L49-H52 CarbonylContact O-C 3.47Å; L49-H52 WeakPolarHBondContact O-CA 3.29Å; L49-H52 WeakPolarHBondContact O-CB 3.28Å; L49-H52 PolarHBondContact O-N 2.97Å; K50-H52 PolarHBondContact O-N 3.47Å; H52-Y54 PolarHBondContact O-N 2.72Å; H52-S55 PolarHBondContact CE1-OG 2.95Å; H52-S55 PolarHBondContact ND1-OG 2.87Å; H52-S55 PolarHBondContact O-N 2.94Å; H52-S55 PolarHBondContact O-OG 3.22Å; H52-H56 AromaticContact CE1-CD2 3.94Å; H52-H56 AromaticContact CE1-NE2 3.37Å; H52-H56 PolarHBondContact CE1-NE2 3.33Å; H52-H56 AromaticContact NE2-CD2 3.89Å; H52-H56 AromaticContact NE2-NE2 3.19Å; H52-H56 PolarHBondContact NE2-NE2 3.09Å; H52-H56 VanDerWaalsContact NE2-NE2 3.19Å
53	S	81.8	Confident	82.8	Confident	41 Å²	41	79.4 Å²	79.4	29%	0.287	41%	0.406	S	S	.	.	H	α-helix	trans	-59	-33	177	57.8	0	0	0	0	111.8	L49 K50 S55 H56 T57	L49-S53 PolarHBondContact O-N 3.27Å; K50-S53 PolarHBondContact O-N 2.87Å; K50-S53 PolarHBondContact O-OG 3.18Å; S53-S55 PolarHBondContact O-N 3.12Å; S53-H56 WeakPolarHBondContact O-CA 3.48Å; S53-H56 WeakPolarHBondContact O-CB 3.26Å; S53-H56 PolarHBondContact O-N 3.16Å; S53-T57 PolarHBondContact O-N 3.22Å
54	Y	84.3	Confident	83	Confident	37 Å²	37	78.1 Å²	78.1	15%	0.145	40%	0.403	C	S	.	.	H	α-helix	trans	-60.5	-18.4	170.1	-64.6	-36.2	0	0	0	115.6	K50 H52 H56 T57 G58 E59 P61 V74	K50-Y54 WeakPolarHBondContact CE-OH 3.4Å; K50-Y54 HydrophobicContact CG-CE2 4.29Å; K50-Y54 WeakPolarHBondContact O-CD2 3.45Å; H52-Y54 PolarHBondContact O-N 2.72Å; Y54-H56 VanDerWaalsContact C-N 3.35Å; Y54-T57 WeakPolarHBondContact CA-OG1 3.26Å; Y54-G58 CarbonylContact O-C 3.55Å; Y54-G58 WeakPolarHBondContact O-CA 3.44Å; Y54-G58 PolarHBondContact O-N 3.2Å; Y54-G58 VanDerWaalsContact O-N 3.1Å; Y54-E59 HydrophobicContact CD1-CB 3.83Å; Y54-E59 WeakPolarHBondContact CD1-OE2 2.97Å; Y54-E59 HydrophobicContact CE1-CB 4.39Å; Y54-E59 PolarHBondContact O-N 3.43Å; Y54-P61 HydrophobicContact CE1-CG 4.16Å; Y54-P61 HydrophobicContact CE2-CG 4.04Å; Y54-V74 VanDerWaalsContact CB-CG1 3.45Å; Y54-V74 HydrophobicContact CD2-CG1 3.84Å; Y54-V74 HydrophobicContact CG-CG1 4.13Å
55	S	80.7	Confident	82.8	Confident	78 Å²	78	81 Å²	81	55%	0.545	42%	0.417	S	S	.	.	H	α-helix	trans	-79.8	-18.7	170.1	66.2	0	0	0	0	113	H52 S53	H52-S55 PolarHBondContact CE1-OG 2.95Å; H52-S55 PolarHBondContact ND1-OG 2.87Å; H52-S55 PolarHBondContact O-N 2.94Å; H52-S55 PolarHBondContact O-OG 3.22Å; S53-S55 PolarHBondContact O-N 3.12Å
56	H	80.6	Confident	82.6	Confident	77 Å²	77	84.3 Å²	84.3	36%	0.356	43%	0.429	S	S	.	.	H	α-helix	trans	-88.2	-43.1	171.9	-62	-70.2	0	0	0	111.5	L38 H52 S53 Y54 G58	L38-H56 HydrophobicContact CD1-CB 3.66Å; H52-H56 AromaticContact CE1-CD2 3.94Å; H52-H56 AromaticContact CE1-NE2 3.37Å; H52-H56 PolarHBondContact CE1-NE2 3.33Å; H52-H56 AromaticContact NE2-CD2 3.89Å; H52-H56 AromaticContact NE2-NE2 3.19Å; H52-H56 PolarHBondContact NE2-NE2 3.09Å; H52-H56 VanDerWaalsContact NE2-NE2 3.19Å; S53-H56 WeakPolarHBondContact O-CA 3.48Å; S53-H56 WeakPolarHBondContact O-CB 3.26Å; S53-H56 PolarHBondContact O-N 3.16Å; Y54-H56 VanDerWaalsContact C-N 3.35Å; H56-G58 VanDerWaalsContact C-N 3.28Å; H56-G58 PolarHBondContact O-N 2.83Å
57	T	79.8	Confident	82.1	Confident	81 Å²	81	90 Å²	90	50%	0.497	45%	0.45	S	S	.	.	H	α-helix	trans	-77.8	-10.9	177.2	64.1	0	0	0	0	113.8	S53 Y54 E59	S53-T57 PolarHBondContact O-N 3.22Å; Y54-T57 WeakPolarHBondContact CA-OG1 3.26Å; T57-E59 PolarHBondContact O-N 3.01Å; T57-E59 VanDerWaalsContact O-N 3.12Å; T57-E59 WeakPolarHBondContact OG1-CG 3.37Å; T57-E59 PolarHBondContact OG1-OE2 3.01Å
58	G	79.1	Confident	82	Confident	46 Å²	46	89.2 Å²	89.2	47%	0.474	45%	0.45	S	S	.	.			trans	71.6	-4.9	-176.1	0	0	0	0	0	115	Y54 H56	Y54-G58 CarbonylContact O-C 3.55Å; Y54-G58 WeakPolarHBondContact O-CA 3.44Å; Y54-G58 PolarHBondContact O-N 3.2Å; Y54-G58 VanDerWaalsContact O-N 3.1Å; H56-G58 VanDerWaalsContact C-N 3.28Å; H56-G58 PolarHBondContact O-N 2.83Å
59	E	81.3	Confident	82.1	Confident	104 Å²	104	85 Å²	85	49%	0.486	43%	0.434	S	S	.	.			trans	-61	141.9	-175.1	-69.2	174.3	121.9	0	0	113.1	Y54 T57	Y54-E59 HydrophobicContact CD1-CB 3.83Å; Y54-E59 WeakPolarHBondContact CD1-OE2 2.97Å; Y54-E59 HydrophobicContact CE1-CB 4.39Å; Y54-E59 PolarHBondContact O-N 3.43Å; T57-E59 PolarHBondContact O-N 3.01Å; T57-E59 VanDerWaalsContact O-N 3.12Å; T57-E59 WeakPolarHBondContact OG1-CG 3.37Å; T57-E59 PolarHBondContact OG1-OE2 3.01Å
60	R	84.1	Confident	82.2	Confident	155 Å²	155	90.3 Å²	90.3	59%	0.585	47%	0.468	S	S	*	.			trans	-135.6	77.1	-178.3	-67.1	174.2	-169.5	-175.5	3.3	110.6	Y62 A72 F73 V74	R60-Y62 PolarHBondContact O-N 3.02Å; R60-Y62 VanDerWaalsContact O-N 3.15Å; R60-A72 HydrophobicContact CB-CB 3.55Å; R60-F73 CarbonylContact C-O 3.5Å; R60-F73 WeakPolarHBondContact CA-O 3.2Å; R60-V74 HydrophobicContact CG-CG2 4.04Å
61	P	82.7	Confident	82.3	Confident	66 Å²	66	90.1 Å²	90.1	43%	0.429	47%	0.467	S	S	.	.			trans	-60.6	-27.6	-173	-24.8	34.8	0	0	0	114.2	Y54 K63	Y54-P61 HydrophobicContact CE1-CG 4.16Å; Y54-P61 HydrophobicContact CE2-CG 4.04Å; P61-K63 PolarHBondContact O-N 3.12Å
62	Y	83.1	Confident	82.5	Confident	89 Å²	89	88.7 Å²	88.7	35%	0.349	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	81.6	-171.4	-57.6	-80.9	0	0	0	111.1	R60 F73 S75 K76	R60-Y62 PolarHBondContact O-N 3.02Å; R60-Y62 VanDerWaalsContact O-N 3.15Å; Y62-F73 WeakPolarHBondContact CB-O 2.99Å; Y62-F73 PolarHBondContact N-O 2.65Å; Y62-F73 PolarHBondContact O-N 3.48Å; Y62-S75 VanDerWaalsContact CD2-C 3.47Å; Y62-K76 HydrophobicContact CD1-CB 4.08Å; Y62-K76 HydrophobicContact CE1-CB 3.84Å
63	K	86.1	Confident	82.6	Confident	157 Å²	157	89.6 Å²	89.6	68%	0.683	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	149.4	175.1	-62.8	-178.5	-178.6	177.7	0	111.8	P61 A72 L79	P61-K63 PolarHBondContact O-N 3.12Å; K63-A72 HydrophobicContact CG-CB 4.04Å; K63-L79 WeakPolarHBondContact O-CD1 3.15Å; K63-L79 WeakPolarHBondContact O-CD2 3.25Å
64	C	88.8	Confident	82.8	Confident	19 Å²	19	89.5 Å²	89.5	13%	0.128	46%	0.463	C	S	.	.			trans	-69.8	148.3	166.5	-175.8	0	0	0	0	110.3	Q66 C69 K71 L79 M83	C64-Q66 PolarHBondContact SG-N 2.88Å; C64-Q66 VanDerWaalsContact SG-N 3.45Å; C64-C69 HydrophobicContact CB-CB 4.37Å; C64-C69 WeakPolarHBondContact CB-O 3.24Å; C64-K71 WeakPolarHBondContact CB-O 3.47Å; C64-K71 PolarHBondContact N-O 2.9Å; C64-L79 HydrophobicContact CB-CD1 4.43Å; C64-M83 HydrophobicContact CB-CE 4.02Å; C64-M83 WeakPolarHBondContact SG-CE 3.34Å
65	I	81.9	Confident	82.8	Confident	144 Å²	144	88.6 Å²	88.6	74%	0.738	46%	0.462	S	S	*	.			trans	-100.9	-12.7	-177.1	-55.6	173.4	0	0	0	111.1
66	Q	78.8	Confident	83	Confident	99 Å²	99	92.1 Å²	92.1	46%	0.463	47%	0.467	S	S	.	.	S	Bend	trans	-73.6	128.5	177.2	-62.7	-62.6	-21.5	0	0	110.5	C64 D68 C69 H86	C64-Q66 PolarHBondContact SG-N 2.88Å; C64-Q66 VanDerWaalsContact SG-N 3.45Å; Q66-D68 PolarHBondContact O-N 3.28Å; Q66-C69 HydrophobicContact CB-CB 4.12Å; Q66-C69 PolarHBondContact O-N 3.45Å; Q66-H86 HydrophobicContact CG-CB 4.16Å
67	Q	73.4	Confident	83.1	Confident	204 Å²	204	95.6 Å²	95.6	95%	0.953	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.3	-171.9	-66.8	-172.2	-8.7	0	0	113.9	C69	Q67-C69 VanDerWaalsContact C-N 3.32Å
68	D	80.1	Confident	83.3	Confident	133 Å²	133	96.3 Å²	96.3	71%	0.711	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-2.7	175.3	79.3	-34.7	0	0	0	113.6	Q66 H86	Q66-D68 PolarHBondContact O-N 3.28Å; D68-H86 IonicContact OD1-CE1 3.42Å
69	C	85.6	Confident	83.6	Confident	14 Å²	14	95.2 Å²	95.2	10%	0.095	46%	0.458	C	S	.	.			trans	-131.1	94.5	-161.9	-155	0	0	0	0	114.5	C64 Q66 Q67 K71 H82 H86	C64-C69 HydrophobicContact CB-CB 4.37Å; C64-C69 WeakPolarHBondContact CB-O 3.24Å; Q66-C69 HydrophobicContact CB-CB 4.12Å; Q66-C69 PolarHBondContact O-N 3.45Å; Q67-C69 VanDerWaalsContact C-N 3.32Å; C69-K71 PolarHBondContact O-N 3.42Å; C69-H82 PolarHBondContact SG-NE2 3.15Å; C69-H86 PolarHBondContact SG-NE2 3.45Å
70	T	85.3	Confident	83.7	Confident	150 Å²	150	96.7 Å²	96.7	92%	0.92	47%	0.465	S	S	*	.			trans	-70.9	13.7	178.2	56.6	0	0	0	0	115.5
71	K	84.2	Confident	83.7	Confident	120 Å²	120	93.4 Å²	93.4	52%	0.522	45%	0.452	S	S	.	.			trans	-81.7	125.8	-170.8	-68.2	178.5	-175.7	165.7	0	112.3	C64 C69 F73	C64-K71 WeakPolarHBondContact CB-O 3.47Å; C64-K71 PolarHBondContact N-O 2.9Å; C69-K71 PolarHBondContact O-N 3.42Å; K71-F73 HydrophobicContact CB-CE2 3.72Å; K71-F73 HydrophobicContact CB-CZ 3.92Å; K71-F73 WeakPolarHBondContact O-CE2 3.44Å
72	A	86.9	Confident	83.7	Confident	27 Å²	27	91 Å²	91	22%	0.223	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	152.8	174.1	0	0	0	0	0	112.3	R60 K63	R60-A72 HydrophobicContact CB-CB 3.55Å; K63-A72 HydrophobicContact CG-CB 4.04Å
73	F	86.4	Confident	83.6	Confident	41 Å²	41	89.3 Å²	89.3	18%	0.18	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	154.6	-172.2	-61.5	-90.8	0	0	0	112.7	R60 Y62 K71 K78 L79 H82	R60-F73 CarbonylContact C-O 3.5Å; R60-F73 WeakPolarHBondContact CA-O 3.2Å; Y62-F73 WeakPolarHBondContact CB-O 2.99Å; Y62-F73 PolarHBondContact N-O 2.65Å; Y62-F73 PolarHBondContact O-N 3.48Å; K71-F73 HydrophobicContact CB-CE2 3.72Å; K71-F73 HydrophobicContact CB-CZ 3.92Å; K71-F73 WeakPolarHBondContact O-CE2 3.44Å; F73-K78 HydrophobicContact CB-CB 4.19Å; F73-K78 HydrophobicContact CD1-CB 4Å; F73-K78 HydrophobicContact CG-CB 4.41Å; F73-L79 HydrophobicContact CB-CB 4.26Å; F73-L79 HydrophobicContact CD2-CB 4.22Å; F73-L79 HydrophobicContact CD2-CD1 3.85Å; F73-L79 HydrophobicContact CE2-CD1 4.29Å; F73-L79 HydrophobicContact CG-CB 4.38Å; F73-H82 HydrophobicContact CE1-CB 4.11Å; F73-H82 HydrophobicContact CE2-CB 4Å; F73-H82 AromaticContact CE2-CD2 3.2Å; F73-H82 WeakPolarHBondContact CE2-CD2 3.34Å; F73-H82 AromaticContact CE2-CG 3.82Å; F73-H82 HydrophobicContact CZ-CB 3.62Å; F73-H82 AromaticContact CZ-CD2 3.29Å; F73-H82 WeakPolarHBondContact CZ-CD2 3.44Å; F73-H82 AromaticContact CZ-CG 3.48Å; F73-H82 VanDerWaalsContact CZ-CG 3.48Å
74	V	85.6	Confident	83.3	Confident	38 Å²	38	83.5 Å²	83.5	23%	0.23	41%	0.413	C	S	.	.	S	Bend	trans	-80.8	-19.3	-177.7	-179.1	0	0	0	0	112.9	V51 Y54 R60	V51-V74 HydrophobicContact CG1-CG1 4.28Å; V51-V74 WeakPolarHBondContact O-CG1 3.42Å; Y54-V74 VanDerWaalsContact CB-CG1 3.45Å; Y54-V74 HydrophobicContact CD2-CG1 3.84Å; Y54-V74 HydrophobicContact CG-CG1 4.13Å; R60-V74 HydrophobicContact CG-CG2 4.04Å
75	S	85.3	Confident	82.8	Confident	19 Å²	19	86.2 Å²	86.2	13%	0.133	43%	0.429	C	S	.	.	S	Bend	trans	-148.9	151.1	174.2	74.2	0	0	0	0	114.2	Y62 Y77 K78 L79	Y62-S75 VanDerWaalsContact CD2-C 3.47Å; S75-Y77 PolarHBondContact O-N 2.89Å; S75-K78 WeakPolarHBondContact O-CB 3.32Å; S75-K78 PolarHBondContact O-N 3.23Å; S75-K78 WeakPolarHBondContact OG-CG 3.33Å; S75-L79 PolarHBondContact O-N 3.22Å; S75-L79 VanDerWaalsContact O-N 3.09Å
76	K	84.1	Confident	82.7	Confident	152 Å²	152	82.1 Å²	82.1	66%	0.661	41%	0.406	S	S	*	.	H	α-helix	trans	-50.1	-40.8	179	-171.3	174.5	-179.2	176.4	0	113.1	Y62 K78 L79 Q80	Y62-K76 HydrophobicContact CD1-CB 4.08Å; Y62-K76 HydrophobicContact CE1-CB 3.84Å; K76-K78 PolarHBondContact O-N 2.9Å; K76-L79 PolarHBondContact O-N 3.14Å; K76-Q80 WeakPolarHBondContact O-CB 3.39Å; K76-Q80 PolarHBondContact O-N 3.47Å
77	Y	83.6	Confident	82.5	Confident	150 Å²	150	79.6 Å²	79.6	59%	0.588	40%	0.399	S	S	*	.	H	α-helix	trans	-62.9	-39.9	175.8	173.9	-100	0	0	0	113.1	S75 R81	S75-Y77 PolarHBondContact O-N 2.89Å; Y77-R81 WeakPolarHBondContact O-CB 3.03Å; Y77-R81 PolarHBondContact O-N 2.82Å
78	K	83.3	Confident	82	Confident	95 Å²	95	75.9 Å²	75.9	41%	0.413	39%	0.393	S	S	.	.	H	α-helix	trans	-70.1	-37.1	178.5	-58.5	-79.7	-177.1	168.6	0	110.8	F73 S75 K76 H82	F73-K78 HydrophobicContact CB-CB 4.19Å; F73-K78 HydrophobicContact CD1-CB 4Å; F73-K78 HydrophobicContact CG-CB 4.41Å; S75-K78 WeakPolarHBondContact O-CB 3.32Å; S75-K78 PolarHBondContact O-N 3.23Å; S75-K78 WeakPolarHBondContact OG-CG 3.33Å; K76-K78 PolarHBondContact O-N 2.9Å; K78-H82 PolarHBondContact O-N 3.1Å
79	L	85.9	Confident	81.4	Confident	24 Å²	24	75.7 Å²	75.7	13%	0.126	39%	0.388	C	S	.	.	H	α-helix	trans	-63.4	-51.3	171.6	175	65.7	0	0	0	111.5	K63 C64 F73 S75 K76 R81 H82 M83	K63-L79 WeakPolarHBondContact O-CD1 3.15Å; K63-L79 WeakPolarHBondContact O-CD2 3.25Å; C64-L79 HydrophobicContact CB-CD1 4.43Å; F73-L79 HydrophobicContact CB-CB 4.26Å; F73-L79 HydrophobicContact CD2-CB 4.22Å; F73-L79 HydrophobicContact CD2-CD1 3.85Å; F73-L79 HydrophobicContact CE2-CD1 4.29Å; F73-L79 HydrophobicContact CG-CB 4.38Å; S75-L79 PolarHBondContact O-N 3.22Å; S75-L79 VanDerWaalsContact O-N 3.09Å; K76-L79 PolarHBondContact O-N 3.14Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-R81 PolarHBondContact O-N 3.46Å; L79-H82 CarbonylContact O-C 3.52Å; L79-H82 WeakPolarHBondContact O-CA 3.37Å; L79-H82 WeakPolarHBondContact O-CB 3.32Å; L79-H82 PolarHBondContact O-N 2.05Å; L79-M83 HydrophobicContact CD1-CE 3.43Å; L79-M83 VanDerWaalsContact CD1-CE 3.43Å; L79-M83 HydrophobicContact CD1-SD 4.14Å; L79-M83 HydrophobicContact CG-CE 4.35Å; L79-M83 PolarHBondContact O-N 3.06Å
80	Q	83.7	Confident	80.8	Confident	135 Å²	135	79.6 Å²	79.6	63%	0.631	40%	0.403	S	S	*	.	H	α-helix	trans	-56.4	-44.3	178.8	-173.7	-176.4	11.3	0	0	111.8	K76 H82 M83 A84	K76-Q80 WeakPolarHBondContact O-CB 3.39Å; K76-Q80 PolarHBondContact O-N 3.47Å; Q80-H82 PolarHBondContact O-N 3.22Å; Q80-M83 PolarHBondContact O-N 3.39Å; Q80-M83 VanDerWaalsContact O-N 3.14Å; Q80-A84 PolarHBondContact O-N 2.69Å
81	R	82.2	Confident	80.3	Confident	85 Å²	85	76.2 Å²	76.2	32%	0.321	38%	0.382	S	S	.	.	H	α-helix	trans	-63.9	-22.9	174.3	-169.9	-169.7	66.6	156.6	2.6	113.3	Y77 L79	Y77-R81 WeakPolarHBondContact O-CB 3.03Å; Y77-R81 PolarHBondContact O-N 2.82Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-R81 PolarHBondContact O-N 3.46Å
82	H	84.2	Confident	80	Confident	17 Å²	17	72.6 Å²	72.6	8%	0.079	37%	0.367	C	S	.	.	H	α-helix	trans	-84.9	-33.6	171	174.3	38.2	0	0	0	112.6	C69 F73 K78 L79 Q80 A84 T85 H86	C69-H82 PolarHBondContact SG-NE2 3.15Å; F73-H82 HydrophobicContact CE1-CB 4.11Å; F73-H82 HydrophobicContact CE2-CB 4Å; F73-H82 AromaticContact CE2-CD2 3.2Å; F73-H82 WeakPolarHBondContact CE2-CD2 3.34Å; F73-H82 AromaticContact CE2-CG 3.82Å; F73-H82 HydrophobicContact CZ-CB 3.62Å; F73-H82 AromaticContact CZ-CD2 3.29Å; F73-H82 WeakPolarHBondContact CZ-CD2 3.44Å; F73-H82 AromaticContact CZ-CG 3.48Å; F73-H82 VanDerWaalsContact CZ-CG 3.48Å; K78-H82 PolarHBondContact O-N 3.1Å; L79-H82 CarbonylContact O-C 3.52Å; L79-H82 WeakPolarHBondContact O-CA 3.37Å; L79-H82 WeakPolarHBondContact O-CB 3.32Å; L79-H82 PolarHBondContact O-N 2.05Å; Q80-H82 PolarHBondContact O-N 3.22Å; H82-A84 PolarHBondContact O-N 3.19Å; H82-T85 PolarHBondContact CE1-OG1 3.01Å; H82-T85 PolarHBondContact ND1-OG1 3.36Å; H82-T85 PolarHBondContact O-N 2.05Å; H82-T85 PolarHBondContact O-OG1 2.83Å; H82-H86 AromaticContact CE1-CD2 3.72Å; H82-H86 AromaticContact CE1-NE2 3.26Å; H82-H86 PolarHBondContact CE1-NE2 3.36Å; H82-H86 VanDerWaalsContact CE1-NE2 3.26Å; H82-H86 AromaticContact NE2-CD2 3.91Å; H82-H86 AromaticContact NE2-NE2 3.31Å; H82-H86 PolarHBondContact NE2-NE2 3.32Å
83	M	81	Confident	79.7	Confident	53 Å²	53	77.4 Å²	77.4	26%	0.261	38%	0.383	S	S	.	.	H	α-helix	trans	-59.8	-33.7	173.8	-60.3	-51.5	86.2	0	0	110.7	C64 L79 Q80 T85 H86 S87	C64-M83 HydrophobicContact CB-CE 4.02Å; C64-M83 WeakPolarHBondContact SG-CE 3.34Å; L79-M83 HydrophobicContact CD1-CE 3.43Å; L79-M83 VanDerWaalsContact CD1-CE 3.43Å; L79-M83 HydrophobicContact CD1-SD 4.14Å; L79-M83 HydrophobicContact CG-CE 4.35Å; L79-M83 PolarHBondContact O-N 3.06Å; Q80-M83 PolarHBondContact O-N 3.39Å; Q80-M83 VanDerWaalsContact O-N 3.14Å; M83-T85 PolarHBondContact O-N 2.95Å; M83-T85 VanDerWaalsContact O-N 3.13Å; M83-H86 WeakPolarHBondContact O-CB 3.38Å; M83-H86 PolarHBondContact O-N 2.77Å; M83-S87 PolarHBondContact O-N 3.49Å
84	A	79.3	Confident	79.6	Confident	35 Å²	35	75.5 Å²	75.5	29%	0.289	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.6	170.5	0	0	0	0	0	115.1	Q80 H82 H102	Q80-A84 PolarHBondContact O-N 2.69Å; H82-A84 PolarHBondContact O-N 3.19Å; A84-H102 PolarHBondContact O-CD2 2.97Å
85	T	78.3	Confident	79.4	Confident	76 Å²	76	80.8 Å²	80.8	47%	0.466	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-11.8	173	68.4	0	0	0	0	113.6	H82 M83	H82-T85 PolarHBondContact CE1-OG1 3.01Å; H82-T85 PolarHBondContact ND1-OG1 3.36Å; H82-T85 PolarHBondContact O-N 2.05Å; H82-T85 PolarHBondContact O-OG1 2.83Å; M83-T85 PolarHBondContact O-N 2.95Å; M83-T85 VanDerWaalsContact O-N 3.13Å
86	H	79	Confident	79	Confident	58 Å²	58	87.4 Å²	87.4	27%	0.269	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-22.6	173	-68.9	-67.3	0	0	0	112.2	Q66 D68 C69 H82 M83	Q66-H86 HydrophobicContact CG-CB 4.16Å; D68-H86 IonicContact OD1-CE1 3.42Å; C69-H86 PolarHBondContact SG-NE2 3.45Å; H82-H86 AromaticContact CE1-CD2 3.72Å; H82-H86 AromaticContact CE1-NE2 3.26Å; H82-H86 PolarHBondContact CE1-NE2 3.36Å; H82-H86 VanDerWaalsContact CE1-NE2 3.26Å; H82-H86 AromaticContact NE2-CD2 3.91Å; H82-H86 AromaticContact NE2-NE2 3.31Å; H82-H86 PolarHBondContact NE2-NE2 3.32Å; M83-H86 WeakPolarHBondContact O-CB 3.38Å; M83-H86 PolarHBondContact O-N 2.77Å
87	S	74.5	Confident	78.9	Confident	45 Å²	45	81.8 Å²	81.8	32%	0.315	41%	0.405	S	S	.	.	S	Bend	trans	-65.5	133.5	168.8	-175.4	0	0	0	0	110.9	M83 E89 H102	M83-S87 PolarHBondContact O-N 3.49Å; S87-E89 PolarHBondContact O-N 3.02Å; S87-E89 WeakPolarHBondContact OG-CB 3.42Å; S87-E89 PolarHBondContact OG-N 3.13Å; S87-E89 VanDerWaalsContact OG-N 3.1Å; S87-H102 PolarHBondContact O-NE2 3.4Å
88	P	63.3	Low	78.8	Confident	126 Å²	126	83 Å²	83	82%	0.818	42%	0.416	S	S	*	.	S	Bend	trans	-66.7	-22.4	168.3	29.4	-34.5	0	0	0	111.8	K90	P88-K90 PolarHBondContact O-N 2.7Å
89	E	67.9	Low	78.6	Confident	130 Å²	130	84.3 Å²	84.3	61%	0.607	42%	0.421	S	S	*	.			trans	-75.5	120.1	-175	-163.6	-166.5	167.5	0	0	112.2	S87 T91 H102	S87-E89 PolarHBondContact O-N 3.02Å; S87-E89 WeakPolarHBondContact OG-CB 3.42Å; S87-E89 PolarHBondContact OG-N 3.13Å; S87-E89 VanDerWaalsContact OG-N 3.1Å; E89-T91 HydrophobicContact CG-CG2 4.13Å; E89-H102 PolarHBondContact O-CD2 3.46Å
90	K	73.4	Confident	78.4	Confident	96 Å²	96	87.5 Å²	87.5	42%	0.417	44%	0.437	S	S	.	.			trans	-102.9	83.5	178.2	-69.6	165.5	169.5	-174.6	0	110	P88 H92 M100 F101	P88-K90 PolarHBondContact O-N 2.7Å; K90-H92 PolarHBondContact O-N 2.95Å; K90-M100 HydrophobicContact CB-CB 3.49Å; K90-M100 VanDerWaalsContact CB-CB 3.49Å; K90-M100 HydrophobicContact CD-CB 3.98Å; K90-M100 WeakPolarHBondContact CD-O 3.48Å; K90-M100 HydrophobicContact CG-CB 4.4Å; K90-M100 WeakPolarHBondContact O-CE 3.39Å; K90-F101 CarbonylContact C-O 3.57Å
91	T	74.8	Confident	78.3	Confident	78 Å²	78	83.3 Å²	83.3	48%	0.479	42%	0.416	S	S	.	.			trans	-62.7	-2	-169.7	54.6	0	0	0	0	116.8	E89	E89-T91 HydrophobicContact CG-CG2 4.13Å
92	H	77.6	Confident	78.1	Confident	45 Å²	45	81.8 Å²	81.8	21%	0.208	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	90.9	-178	-54	-38.5	0	0	0	112.2	K90 M100 F101 R103 K104 L107	K90-H92 PolarHBondContact O-N 2.95Å; H92-M100 CarbonylContact O-C 3.55Å; H92-M100 WeakPolarHBondContact O-CA 3.45Å; H92-F101 WeakPolarHBondContact CB-O 3.24Å; H92-F101 PolarHBondContact N-O 3.24Å; H92-F101 VanDerWaalsContact N-O 3.08Å; H92-F101 PolarHBondContact O-N 2.77Å; H92-R103 VanDerWaalsContact CD2-C 3.41Å; H92-K104 PolarHBondContact CD2-N 2.85Å; H92-K104 VanDerWaalsContact NE2-CG 3.27Å; H92-K104 WeakPolarHBondContact NE2-CG 3.33Å; H92-L107 HydrophobicContact CB-CB 4.33Å; H92-L107 HydrophobicContact CB-CD2 3.92Å
93	K	80.8	Confident	77.8	Confident	128 Å²	128	83.5 Å²	83.5	56%	0.557	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	149.1	171.1	-173.3	177.5	175.6	-178.3	0	111.1	M100 L107	K93-M100 HydrophobicContact CB-CE 4.25Å; K93-M100 HydrophobicContact CB-CG 4.11Å; K93-M100 HydrophobicContact CG-CG 4.21Å; K93-L107 WeakPolarHBondContact O-CD2 3.18Å
94	C	84.1	Confident	77.8	Confident	0 Å²	0	88.3 Å²	88.3	0%	0	44%	0.438	C	S	.	.			trans	-87	139.1	168.4	179.6	0	0	0	0	110.9	C97 K99 F101 L107 H114	C94-C97 CarbonylContact C-O 3.23Å; C94-C97 WeakPolarHBondContact CB-O 3.32Å; C94-K99 VanDerWaalsContact CB-O 3.32Å; C94-K99 WeakPolarHBondContact CB-O 3.33Å; C94-K99 PolarHBondContact N-O 3.12Å; C94-F101 HydrophobicContact CB-CE2 4.49Å; C94-L107 HydrophobicContact CB-CD1 3.75Å; C94-H114 PolarHBondContact SG-NE2 2.84Å; C94-H114 VanDerWaalsContact SG-NE2 3.37Å
95	N	81.3	Confident	77.8	Confident	149 Å²	149	89.9 Å²	89.9	80%	0.797	44%	0.441	S	S	*	.	S	Bend	trans	-72.2	-34.9	-179.6	-65	12.8	0	0	0	111.6
96	Y	77.3	Confident	77.9	Confident	158 Å²	158	90 Å²	90	62%	0.62	44%	0.437	S	S	*	.	S	Bend	trans	-87	-6.5	-177.7	-54	-73.9	0	0	0	115.2	L111 H114	Y96-L111 HydrophobicContact CD2-CD2 3.81Å; Y96-L111 HydrophobicContact CE2-CD2 4.01Å; Y96-H114 HydrophobicContact CD2-CB 3.98Å; Y96-H114 HydrophobicContact CG-CB 4.13Å
97	C	82	Confident	78.1	Confident	35 Å²	35	88.5 Å²	88.5	24%	0.236	43%	0.431	C	S	.	.	S	Bend	trans	-166.3	164.5	173.6	70.5	0	0	0	0	112.2	C94 K99 H110 H114	C94-C97 CarbonylContact C-O 3.23Å; C94-C97 WeakPolarHBondContact CB-O 3.32Å; C97-K99 PolarHBondContact O-N 2.96Å; C97-H110 PolarHBondContact SG-NE2 2.8Å; C97-H114 VanDerWaalsContact SG-CE1 3.56Å
98	E	81	Confident	78.4	Confident	176 Å²	176	92.7 Å²	92.7	82%	0.822	44%	0.443	S	S	*	.	S	Bend	trans	-64.4	-1	-176.8	-55.3	179.7	149.4	0	0	115.9	M100	E98-M100 PolarHBondContact O-N 3.35Å
99	K	78.1	Confident	79	Confident	122 Å²	122	90 Å²	90	53%	0.53	42%	0.422	S	S	.	.			trans	-68.9	118.2	-178.3	-66.9	171.9	-171.8	158.4	0	110.6	C94 C97 F101	C94-K99 VanDerWaalsContact CB-O 3.32Å; C94-K99 WeakPolarHBondContact CB-O 3.33Å; C94-K99 PolarHBondContact N-O 3.12Å; C97-K99 PolarHBondContact O-N 2.96Å; K99-F101 HydrophobicContact CB-CE2 3.73Å; K99-F101 HydrophobicContact CB-CZ 3.93Å; K99-F101 WeakPolarHBondContact O-CE2 3.37Å
100	M	82.1	Confident	79.7	Confident	91 Å²	91	84.8 Å²	84.8	45%	0.448	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	147.4	173.6	-51.3	174.8	92	0	0	111.4	K90 H92 K93 E98	K90-M100 HydrophobicContact CB-CB 3.49Å; K90-M100 VanDerWaalsContact CB-CB 3.49Å; K90-M100 HydrophobicContact CD-CB 3.98Å; K90-M100 WeakPolarHBondContact CD-O 3.48Å; K90-M100 HydrophobicContact CG-CB 4.4Å; K90-M100 WeakPolarHBondContact O-CE 3.39Å; H92-M100 CarbonylContact O-C 3.55Å; H92-M100 WeakPolarHBondContact O-CA 3.45Å; K93-M100 HydrophobicContact CB-CE 4.25Å; K93-M100 HydrophobicContact CB-CG 4.11Å; K93-M100 HydrophobicContact CG-CG 4.21Å; E98-M100 PolarHBondContact O-N 3.35Å
101	F	81.1	Confident	80	Confident	46 Å²	46	82.6 Å²	82.6	20%	0.202	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146	-174.7	-59.8	-94.4	0	0	0	111.2	K90 H92 C94 K99 R103 H106 L107 H110	K90-F101 CarbonylContact C-O 3.57Å; H92-F101 WeakPolarHBondContact CB-O 3.24Å; H92-F101 PolarHBondContact N-O 3.24Å; H92-F101 VanDerWaalsContact N-O 3.08Å; H92-F101 PolarHBondContact O-N 2.77Å; C94-F101 HydrophobicContact CB-CE2 4.49Å; K99-F101 HydrophobicContact CB-CE2 3.73Å; K99-F101 HydrophobicContact CB-CZ 3.93Å; K99-F101 WeakPolarHBondContact O-CE2 3.37Å; F101-R103 PolarHBondContact O-N 2.83Å; F101-H106 HydrophobicContact CB-CB 4.42Å; F101-H106 HydrophobicContact CD1-CB 3.98Å; F101-L107 HydrophobicContact CB-CB 4.41Å; F101-L107 HydrophobicContact CD2-CB 4.17Å; F101-L107 HydrophobicContact CD2-CD1 4.02Å; F101-L107 HydrophobicContact CE2-CD1 4.24Å; F101-L107 HydrophobicContact CG-CB 4.4Å; F101-H110 HydrophobicContact CE1-CB 4.07Å; F101-H110 HydrophobicContact CE2-CB 4.05Å; F101-H110 AromaticContact CE2-CD2 3.28Å; F101-H110 WeakPolarHBondContact CE2-CD2 3.29Å; F101-H110 AromaticContact CE2-CG 3.82Å; F101-H110 HydrophobicContact CZ-CB 3.57Å; F101-H110 AromaticContact CZ-CD2 3.29Å; F101-H110 WeakPolarHBondContact CZ-CD2 3.36Å; F101-H110 AromaticContact CZ-CG 3.38Å
102	H	78.3	Confident	79.9	Confident	53 Å²	53	80.9 Å²	80.9	25%	0.245	38%	0.376	C	S	.	.	S	Bend	trans	-75.9	-3.9	173.1	-62	105.2	0	0	0	114.3	A84 S87 E89	A84-H102 PolarHBondContact O-CD2 2.97Å; S87-H102 PolarHBondContact O-NE2 3.4Å; E89-H102 PolarHBondContact O-CD2 3.46Å
103	R	78.8	Confident	79.6	Confident	53 Å²	53	82.3 Å²	82.3	20%	0.2	39%	0.389	C	S	.	.			trans	-147.5	131.6	-171.4	-72	176.6	56.9	-172.2	0.4	113.4	H92 F101 D105 H106 L107	H92-R103 VanDerWaalsContact CD2-C 3.41Å; F101-R103 PolarHBondContact O-N 2.83Å; R103-D105 VanDerWaalsContact C-N 3.28Å; R103-D105 IonicContact CZ-OD1 3.72Å; R103-D105 IonicContact CZ-OD2 2.63Å; R103-D105 IonicContact NE-OD1 2.78Å; R103-D105 PolarHBondContact NE-OD1 2.96Å; R103-D105 IonicContact NE-OD2 2.79Å; R103-D105 IonicContact NH2-OD1 3.19Å; R103-D105 PolarHBondContact NH2-OD1 2.88Å; R103-D105 IonicContact NH2-OD2 3.39Å; R103-D105 PolarHBondContact NH2-OD2 3.41Å; R103-D105 PolarHBondContact O-N 2.93Å; R103-H106 HydrophobicContact CB-CB 4.16Å; R103-H106 PolarHBondContact NH1-CE1 3.24Å; R103-H106 PolarHBondContact NH1-NE2 3.5Å; R103-H106 PolarHBondContact O-N 2.78Å; R103-L107 PolarHBondContact O-N 3.3Å
104	K	80.2	Confident	79.3	Confident	155 Å²	155	79.2 Å²	79.2	67%	0.674	38%	0.376	S	S	*	.	H	α-helix	trans	-57.9	-36	178.1	-62.3	-166	177.9	-174.9	0	113.3	H92 H106 L107 K108	H92-K104 PolarHBondContact CD2-N 2.85Å; H92-K104 VanDerWaalsContact NE2-CG 3.27Å; H92-K104 WeakPolarHBondContact NE2-CG 3.33Å; K104-H106 VanDerWaalsContact C-N 3.34Å; K104-L107 PolarHBondContact O-N 3.45Å; K104-K108 PolarHBondContact O-N 3.03Å
105	D	79.3	Confident	78.6	Confident	67 Å²	67	82.4 Å²	82.4	36%	0.358	39%	0.393	S	S	.	.	H	α-helix	trans	-71.4	-28.2	177.4	69.4	-85.7	0	0	0	113.1	R103 N109	R103-D105 VanDerWaalsContact C-N 3.28Å; R103-D105 IonicContact CZ-OD1 3.72Å; R103-D105 IonicContact CZ-OD2 2.63Å; R103-D105 IonicContact NE-OD1 2.78Å; R103-D105 PolarHBondContact NE-OD1 2.96Å; R103-D105 IonicContact NE-OD2 2.79Å; R103-D105 IonicContact NH2-OD1 3.19Å; R103-D105 PolarHBondContact NH2-OD1 2.88Å; R103-D105 IonicContact NH2-OD2 3.39Å; R103-D105 PolarHBondContact NH2-OD2 3.41Å; R103-D105 PolarHBondContact O-N 2.93Å; D105-N109 WeakPolarHBondContact O-CB 3.34Å; D105-N109 VanDerWaalsContact O-CG 3.26Å; D105-N109 PolarHBondContact O-N 3.26Å; D105-N109 PolarHBondContact O-ND2 2.99Å
106	H	81.1	Confident	77.6	Confident	79 Å²	79	81 Å²	81	37%	0.366	39%	0.392	S	S	.	.	H	α-helix	trans	-75.7	-39	173.2	-65.8	-3.1	0	0	0	111.2	F101 R103 K104 N109 H110	F101-H106 HydrophobicContact CB-CB 4.42Å; F101-H106 HydrophobicContact CD1-CB 3.98Å; R103-H106 HydrophobicContact CB-CB 4.16Å; R103-H106 PolarHBondContact NH1-CE1 3.24Å; R103-H106 PolarHBondContact NH1-NE2 3.5Å; R103-H106 PolarHBondContact O-N 2.78Å; K104-H106 VanDerWaalsContact C-N 3.34Å; H106-N109 PolarHBondContact O-N 2.69Å; H106-H110 WeakPolarHBondContact O-CB 3.28Å; H106-H110 PolarHBondContact O-N 3.34Å
107	L	82.3	Confident	76.7	Confident	27 Å²	27	81.1 Å²	81.1	14%	0.141	40%	0.404	C	S	.	.	H	α-helix	trans	-60	-49.4	169	174.2	59.3	0	0	0	111	H92 K93 C94 F101 R103 K104 N109 H110 L111	H92-L107 HydrophobicContact CB-CB 4.33Å; H92-L107 HydrophobicContact CB-CD2 3.92Å; K93-L107 WeakPolarHBondContact O-CD2 3.18Å; C94-L107 HydrophobicContact CB-CD1 3.75Å; F101-L107 HydrophobicContact CB-CB 4.41Å; F101-L107 HydrophobicContact CD2-CB 4.17Å; F101-L107 HydrophobicContact CD2-CD1 4.02Å; F101-L107 HydrophobicContact CE2-CD1 4.24Å; F101-L107 HydrophobicContact CG-CB 4.4Å; R103-L107 PolarHBondContact O-N 3.3Å; K104-L107 PolarHBondContact O-N 3.45Å; L107-N109 VanDerWaalsContact C-N 3.33Å; L107-N109 PolarHBondContact O-N 3.17Å; L107-H110 CarbonylContact O-C 3.5Å; L107-H110 WeakPolarHBondContact O-CA 3.45Å; L107-H110 WeakPolarHBondContact O-CB 3.25Å; L107-H110 PolarHBondContact O-N 3.01Å; L107-L111 HydrophobicContact CD1-CD1 4.37Å; L107-L111 HydrophobicContact CD1-CD2 4.21Å; L107-L111 HydrophobicContact CD1-CG 4.02Å; L107-L111 HydrophobicContact CG-CD1 4.18Å; L107-L111 HydrophobicContact CG-CG 4.31Å; L107-L111 WeakPolarHBondContact O-CG 3.28Å; L107-L111 PolarHBondContact O-N 3.35Å
108	K	81.1	Confident	75.8	Confident	132 Å²	132	82.9 Å²	82.9	57%	0.574	41%	0.407	S	S	*	.	H	α-helix	trans	-58.5	-43.4	178.6	-174.5	169.2	-177.3	172.2	0	112.3	K104 H110 L111 H112	K104-K108 PolarHBondContact O-N 3.03Å; K108-H110 PolarHBondContact O-N 3.08Å; K108-L111 PolarHBondContact O-N 3.31Å; K108-H112 PolarHBondContact O-N 3.15Å; K108-H112 PolarHBondContact O-ND1 3.45Å
109	N	77.2	Confident	74.7	Confident	71 Å²	71	82.4 Å²	82.4	38%	0.38	41%	0.405	S	S	.	.	H	α-helix	trans	-65.6	-23	174.9	-73.1	-13.6	0	0	0	113.7	D105 H106 L107 T132	D105-N109 WeakPolarHBondContact O-CB 3.34Å; D105-N109 VanDerWaalsContact O-CG 3.26Å; D105-N109 PolarHBondContact O-N 3.26Å; D105-N109 PolarHBondContact O-ND2 2.99Å; H106-N109 PolarHBondContact O-N 2.69Å; L107-N109 VanDerWaalsContact C-N 3.33Å; L107-N109 PolarHBondContact O-N 3.17Å; N109-T132 HydrophobicContact CB-CG2 4.21Å
110	H	81.2	Confident	74.2	Confident	19 Å²	19	79.9 Å²	79.9	9%	0.088	40%	0.4	C	S	.	.	H	α-helix	trans	-85.4	-31.1	173.1	175.4	47	0	0	0	113.2	C97 F101 H106 L107 K108 H112 T113 H114	C97-H110 PolarHBondContact SG-NE2 2.8Å; F101-H110 HydrophobicContact CE1-CB 4.07Å; F101-H110 HydrophobicContact CE2-CB 4.05Å; F101-H110 AromaticContact CE2-CD2 3.28Å; F101-H110 WeakPolarHBondContact CE2-CD2 3.29Å; F101-H110 AromaticContact CE2-CG 3.82Å; F101-H110 HydrophobicContact CZ-CB 3.57Å; F101-H110 AromaticContact CZ-CD2 3.29Å; F101-H110 WeakPolarHBondContact CZ-CD2 3.36Å; F101-H110 AromaticContact CZ-CG 3.38Å; H106-H110 WeakPolarHBondContact O-CB 3.28Å; H106-H110 PolarHBondContact O-N 3.34Å; L107-H110 CarbonylContact O-C 3.5Å; L107-H110 WeakPolarHBondContact O-CA 3.45Å; L107-H110 WeakPolarHBondContact O-CB 3.25Å; L107-H110 PolarHBondContact O-N 3.01Å; K108-H110 PolarHBondContact O-N 3.08Å; H110-H112 PolarHBondContact O-N 3.25Å; H110-T113 PolarHBondContact CE1-OG1 3Å; H110-T113 PolarHBondContact ND1-OG1 3.21Å; H110-T113 WeakPolarHBondContact O-CB 3.43Å; H110-T113 PolarHBondContact O-N 3.23Å; H110-T113 PolarHBondContact O-OG1 3.23Å; H110-H114 AromaticContact CD2-NE2 3.87Å; H110-H114 AromaticContact CE1-CD2 3.84Å; H110-H114 AromaticContact CE1-CE1 3.93Å; H110-H114 AromaticContact CE1-NE2 3.12Å; H110-H114 PolarHBondContact CE1-NE2 3.4Å; H110-H114 AromaticContact NE2-CD2 3.83Å; H110-H114 AromaticContact NE2-CE1 3.95Å; H110-H114 AromaticContact NE2-NE2 2.98Å; H110-H114 PolarHBondContact NE2-NE2 2.95Å
111	L	79.4	Confident	73.7	Confident	50 Å²	50	78.4 Å²	78.4	26%	0.262	39%	0.391	S	S	.	.	H	α-helix	trans	-59.2	-39.1	172.8	-67.8	171.9	0	0	0	110.6	Y96 L107 K108 T113 H114 D115	Y96-L111 HydrophobicContact CD2-CD2 3.81Å; Y96-L111 HydrophobicContact CE2-CD2 4.01Å; L107-L111 HydrophobicContact CD1-CD1 4.37Å; L107-L111 HydrophobicContact CD1-CD2 4.21Å; L107-L111 HydrophobicContact CD1-CG 4.02Å; L107-L111 HydrophobicContact CG-CD1 4.18Å; L107-L111 HydrophobicContact CG-CG 4.31Å; L107-L111 WeakPolarHBondContact O-CG 3.28Å; L107-L111 PolarHBondContact O-N 3.35Å; K108-L111 PolarHBondContact O-N 3.31Å; L111-T113 PolarHBondContact O-N 2.86Å; L111-H114 PolarHBondContact O-N 2.79Å; L111-D115 PolarHBondContact O-N 3.09Å
112	H	74.2	Confident	73.5	Confident	42 Å²	42	82.2 Å²	82.2	19%	0.194	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	8.7	167.9	-47.5	145.3	0	0	0	115.8	K108 H110 D115 K118	K108-H112 PolarHBondContact O-N 3.15Å; K108-H112 PolarHBondContact O-ND1 3.45Å; H110-H112 PolarHBondContact O-N 3.25Å; H112-D115 WeakPolarHBondContact CA-OD2 3.33Å; H112-D115 IonicContact CD2-OD2 2.86Å; H112-K118 HydrophobicContact CB-CD 4.06Å
113	T	71.5	Confident	73.4	Confident	76 Å²	76	79.7 Å²	79.7	47%	0.466	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-0.7	167.9	62.1	0	0	0	0	113.4	H110 L111 N131	H110-T113 PolarHBondContact CE1-OG1 3Å; H110-T113 PolarHBondContact ND1-OG1 3.21Å; H110-T113 WeakPolarHBondContact O-CB 3.43Å; H110-T113 PolarHBondContact O-N 3.23Å; H110-T113 PolarHBondContact O-OG1 3.23Å; L111-T113 PolarHBondContact O-N 2.86Å; T113-N131 HydrophobicContact CG2-CB 4.5Å; T113-N131 WeakPolarHBondContact CG2-ND2 3.47Å
114	H	72.9	Confident	73.1	Confident	62 Å²	62	85.9 Å²	85.9	29%	0.287	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-21.5	167.7	-61.3	-78.4	0	0	0	112	C94 Y96 C97 H110 L111 P116	C94-H114 PolarHBondContact SG-NE2 2.84Å; C94-H114 VanDerWaalsContact SG-NE2 3.37Å; Y96-H114 HydrophobicContact CD2-CB 3.98Å; Y96-H114 HydrophobicContact CG-CB 4.13Å; C97-H114 VanDerWaalsContact SG-CE1 3.56Å; H110-H114 AromaticContact CD2-NE2 3.87Å; H110-H114 AromaticContact CE1-CD2 3.84Å; H110-H114 AromaticContact CE1-CE1 3.93Å; H110-H114 AromaticContact CE1-NE2 3.12Å; H110-H114 PolarHBondContact CE1-NE2 3.4Å; H110-H114 AromaticContact NE2-CD2 3.83Å; H110-H114 AromaticContact NE2-CE1 3.95Å; H110-H114 AromaticContact NE2-NE2 2.98Å; H110-H114 PolarHBondContact NE2-NE2 2.95Å; L111-H114 PolarHBondContact O-N 2.79Å; H114-P116 WeakPolarHBondContact O-CD 3.36Å
115	D	70.6	Confident	72.3	Confident	68 Å²	68	84.6 Å²	84.6	36%	0.364	42%	0.423	S	S	.	.			trans	-74.7	107.4	173.7	-52.7	-42.7	0	0	0	110.9	L111 H112 K118	L111-D115 PolarHBondContact O-N 3.09Å; H112-D115 WeakPolarHBondContact CA-OD2 3.33Å; H112-D115 IonicContact CD2-OD2 2.86Å; D115-K118 HydrophobicContact CB-CB 3.85Å
116	P	59.7	Low	71.8	Confident	120 Å²	120	83.4 Å²	83.4	78%	0.779	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-30	-178.7	31.6	-35.1	0	0	0	112.8	H114 K118	H114-P116 WeakPolarHBondContact O-CD 3.36Å; P116-K118 VanDerWaalsContact C-N 3.35Å
117	N	57.9	Low	71.3	Confident	160 Å²	160	81.5 Å²	81.5	86%	0.856	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	5.8	-173.3	-66.2	-1.5	0	0	0	113.3
118	K	62.8	Low	70.7	Confident	72 Å²	72	84.2 Å²	84.2	31%	0.313	43%	0.433	S	S	.	.	S	Bend	trans	-83.9	129.7	-176	-169.4	-167.5	165.5	-63.6	0	110.5	H112 D115 P116 T120	H112-K118 HydrophobicContact CB-CD 4.06Å; D115-K118 HydrophobicContact CB-CB 3.85Å; P116-K118 VanDerWaalsContact C-N 3.35Å; K118-T120 PolarHBondContact O-N 3.32Å
119	E	58.9	Low	70.4	Confident	165 Å²	165	82.7 Å²	82.7	77%	0.771	43%	0.431	S	S	*	.			trans	-42.7	112.3	169.9	-67.7	-176	162.2	0	0	112.4
120	T	68.6	Low	70.3	Confident	70 Å²	70	82 Å²	82	43%	0.429	42%	0.423	S	S	.	.			trans	-88	131.9	165.3	59.3	0	0	0	0	108.6	K118 K122 N129 Y130	K118-T120 PolarHBondContact O-N 3.32Å; T120-K122 PolarHBondContact O-N 3.18Å; T120-N129 HydrophobicContact CG2-CB 4.48Å; T120-Y130 CarbonylContact C-O 3.48Å; T120-Y130 WeakPolarHBondContact CA-O 3.24Å
121	F	71.6	Confident	69.8	Low	59 Å²	59	84 Å²	84	26%	0.259	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	101.6	173.5	-58.5	-83.6	0	0	0	109	Y130 K133 F136	F121-Y130 WeakPolarHBondContact CD2-O 3.45Å; F121-Y130 PolarHBondContact N-O 3.05Å; F121-Y130 PolarHBondContact O-N 3.4Å; F121-K133 HydrophobicContact CD2-CB 4.37Å; F121-K133 HydrophobicContact CE1-CB 4.2Å; F121-K133 HydrophobicContact CE1-CD 4.24Å; F121-K133 HydrophobicContact CE1-CG 4.06Å; F121-K133 HydrophobicContact CE2-CB 3.77Å; F121-K133 VanDerWaalsContact CE2-N 3.33Å; F121-K133 HydrophobicContact CZ-CB 3.68Å; F121-K133 HydrophobicContact CZ-CD 4.24Å; F121-K133 HydrophobicContact CZ-CG 4.03Å; F121-F136 HydrophobicContact CB-CB 3.59Å; F121-F136 HydrophobicContact CB-CD1 3.71Å; F121-F136 HydrophobicContact CB-CD2 3.73Å; F121-F136 HydrophobicContact CB-CE1 4.26Å; F121-F136 HydrophobicContact CB-CE2 4.29Å; F121-F136 HydrophobicContact CB-CG 3.4Å; F121-F136 VanDerWaalsContact CB-CG 3.4Å; F121-F136 HydrophobicContact CD1-CD1 4.09Å; F121-F136 HydrophobicContact CG-CB 4.07Å; F121-F136 HydrophobicContact CG-CD1 4.13Å; F121-F136 HydrophobicContact CG-CG 4.14Å
122	K	75.9	Confident	69.5	Low	127 Å²	127	83 Å²	83	55%	0.552	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	133.2	175.4	-177.3	-176.1	173.9	-164	0	109.2	T120 K128 N129 F136	T120-K122 PolarHBondContact O-N 3.18Å; K122-K128 WeakPolarHBondContact CA-O 3.47Å; K122-N129 VanDerWaalsContact CB-OD1 3.29Å; K122-N129 WeakPolarHBondContact CB-OD1 3.44Å; K122-N129 WeakPolarHBondContact CG-OD1 3.41Å; K122-F136 VanDerWaalsContact O-CE2 3.28Å; K122-F136 WeakPolarHBondContact O-CE2 3.17Å; K122-F136 WeakPolarHBondContact O-CZ 3.22Å
123	C	75.6	Confident	69.4	Low	0 Å²	0	87.7 Å²	87.7	0%	0	45%	0.45	C	S	.	.			trans	-81.1	128.1	163.5	178	0	0	0	0	109.4	C126 G127 K128 F136 H139	C123-C126 VanDerWaalsContact SG-SG 3.68Å; C123-G127 WeakPolarHBondContact O-CA 3.39Å; C123-G127 PolarHBondContact O-N 2.8Å; C123-K128 PolarHBondContact N-O 3.01Å; C123-F136 HydrophobicContact CB-CE2 4.11Å; C123-H139 WeakPolarHBondContact CB-NE2 3.36Å; C123-H139 PolarHBondContact SG-NE2 3.4Å
124	E	72.8	Confident	69.5	Low	182 Å²	182	90.8 Å²	90.8	85%	0.85	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-42.2	179.1	-65.4	174.6	161.9	0	0	110.4	C126	E124-C126 VanDerWaalsContact C-N 3.26Å; E124-C126 PolarHBondContact O-N 2.75Å
125	E	63.9	Low	69.5	Low	128 Å²	128	88.2 Å²	88.2	60%	0.598	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-19.6	178.3	-60.2	176.3	-110.3	0	0	115.3	H143	E125-H143 WeakPolarHBondContact OE1-CB 3.41Å; E125-H143 IonicContact OE1-CG 3.61Å; E125-H143 IonicContact OE1-ND1 3.74Å; E125-H143 IonicContact OE2-CE1 3.2Å; E125-H143 IonicContact OE2-CG 2.7Å; E125-H143 IonicContact OE2-ND1 2.79Å; E125-H143 PolarHBondContact OE2-ND1 3.5Å
126	C	69.1	Low	69.7	Low	42 Å²	42	86.7 Å²	86.7	28%	0.284	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.7	13.5	178.5	76	0	0	0	0	116.6	C123 E124 K128 H139	C123-C126 VanDerWaalsContact SG-SG 3.68Å; E124-C126 VanDerWaalsContact C-N 3.26Å; E124-C126 PolarHBondContact O-N 2.75Å; C126-K128 PolarHBondContact O-N 2.97Å; C126-K128 VanDerWaalsContact SG-CD 3.59Å; C126-K128 PolarHBondContact SG-NZ 3.12Å; C126-H139 PolarHBondContact SG-CE1 3.28Å; C126-H139 PolarHBondContact SG-NE2 2.98Å
127	G	70.8	Confident	70.3	Confident	40 Å²	40	85.3 Å²	85.3	41%	0.412	43%	0.425	S	S	.	.			trans	67.6	-1.3	174.4	0	0	0	0	0	117	C123	C123-G127 WeakPolarHBondContact O-CA 3.39Å; C123-G127 PolarHBondContact O-N 2.8Å
128	K	69.8	Low	71	Confident	84 Å²	84	85.6 Å²	85.6	37%	0.365	41%	0.414	S	S	.	.			trans	-74.7	131.3	-173.2	-68	174.7	-164.7	123.5	0	111.9	K122 C123 C126 Y130	K122-K128 WeakPolarHBondContact CA-O 3.47Å; C123-K128 PolarHBondContact N-O 3.01Å; C126-K128 PolarHBondContact O-N 2.97Å; C126-K128 VanDerWaalsContact SG-CD 3.59Å; C126-K128 PolarHBondContact SG-NZ 3.12Å; K128-Y130 HydrophobicContact CB-CE2 3.55Å; K128-Y130 WeakPolarHBondContact O-CD2 3.42Å; K128-Y130 WeakPolarHBondContact O-CE2 3.34Å
129	N	74.9	Confident	71.6	Confident	100 Å²	100	82.7 Å²	82.7	54%	0.535	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.3	-178.7	-69	-34.8	0	0	0	112.2	T120 K122	T120-N129 HydrophobicContact CG2-CB 4.48Å; K122-N129 VanDerWaalsContact CB-OD1 3.29Å; K122-N129 WeakPolarHBondContact CB-OD1 3.44Å; K122-N129 WeakPolarHBondContact CG-OD1 3.41Å
130	Y	74.7	Confident	72.3	Confident	57 Å²	57	77.6 Å²	77.6	22%	0.224	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.7	-178.7	-65.9	-94.4	0	0	0	112.1	T120 F121 K128 T132 F136 H139	T120-Y130 CarbonylContact C-O 3.48Å; T120-Y130 WeakPolarHBondContact CA-O 3.24Å; F121-Y130 WeakPolarHBondContact CD2-O 3.45Å; F121-Y130 PolarHBondContact N-O 3.05Å; F121-Y130 PolarHBondContact O-N 3.4Å; K128-Y130 HydrophobicContact CB-CE2 3.55Å; K128-Y130 WeakPolarHBondContact O-CD2 3.42Å; K128-Y130 WeakPolarHBondContact O-CE2 3.34Å; Y130-T132 PolarHBondContact O-N 2.86Å; Y130-F136 HydrophobicContact CD2-CD2 4.14Å; Y130-H139 AromaticContact CD2-CD2 3.9Å; Y130-H139 HydrophobicContact CE1-CB 4.16Å; Y130-H139 HydrophobicContact CE2-CB 4.16Å; Y130-H139 AromaticContact CE2-CD2 3.04Å; Y130-H139 WeakPolarHBondContact CE2-CD2 3.43Å; Y130-H139 AromaticContact CE2-CG 3.72Å; Y130-H139 AromaticContact CE2-NE2 3.61Å; Y130-H139 AromaticContact CZ-CD2 3.39Å; Y130-H139 AromaticContact CZ-CG 3.56Å; Y130-H139 AromaticContact CZ-NE2 3.95Å; Y130-H139 PolarHBondContact OH-CD2 3.27Å
131	N	71.3	Confident	72.4	Confident	61 Å²	61	75.2 Å²	75.2	33%	0.326	37%	0.367	S	S	.	.	S	Bend	trans	-70.7	-9.2	177.7	68.1	-8.7	0	0	0	114.6	T113	T113-N131 HydrophobicContact CG2-CB 4.5Å; T113-N131 WeakPolarHBondContact CG2-ND2 3.47Å
132	T	71.9	Confident	72.1	Confident	29 Å²	29	75.8 Å²	75.8	18%	0.178	37%	0.372	C	S	.	.	S	Bend	trans	-142	132.2	-170.3	45.5	0	0	0	0	112.3	N109 Y130 L134 G135 F136	N109-T132 HydrophobicContact CB-CG2 4.21Å; Y130-T132 PolarHBondContact O-N 2.86Å; T132-L134 PolarHBondContact O-N 3.17Å; T132-L134 VanDerWaalsContact O-N 3.17Å; T132-G135 WeakPolarHBondContact O-CA 3.42Å; T132-G135 PolarHBondContact O-N 3.08Å; T132-F136 PolarHBondContact O-N 3.46Å
133	K	73	Confident	71.6	Confident	139 Å²	139	70.2 Å²	70.2	60%	0.604	35%	0.348	S	S	*	.	H	α-helix	trans	-59.3	-29.3	-179.5	-163.8	169.3	-176.4	170.1	0	113.2	F121 K137	F121-K133 HydrophobicContact CD2-CB 4.37Å; F121-K133 HydrophobicContact CE1-CB 4.2Å; F121-K133 HydrophobicContact CE1-CD 4.24Å; F121-K133 HydrophobicContact CE1-CG 4.06Å; F121-K133 HydrophobicContact CE2-CB 3.77Å; F121-K133 VanDerWaalsContact CE2-N 3.33Å; F121-K133 HydrophobicContact CZ-CB 3.68Å; F121-K133 HydrophobicContact CZ-CD 4.24Å; F121-K133 HydrophobicContact CZ-CG 4.03Å; K133-K137 PolarHBondContact O-N 3.41Å
134	L	72.3	Confident	71	Confident	142 Å²	142	72.5 Å²	72.5	74%	0.743	37%	0.367	S	S	*	.	H	α-helix	trans	-76.7	-32.5	173.9	-176.4	63	0	0	0	112.9	T132 F136 R138	T132-L134 PolarHBondContact O-N 3.17Å; T132-L134 VanDerWaalsContact O-N 3.17Å; L134-F136 VanDerWaalsContact C-N 3.31Å; L134-R138 VanDerWaalsContact O-CB 3.27Å; L134-R138 WeakPolarHBondContact O-CB 3.42Å; L134-R138 PolarHBondContact O-N 3.38Å
135	G	72.6	Confident	70.4	Confident	7 Å²	7	66.9 Å²	66.9	7%	0.072	35%	0.352	C	S	.	.	H	α-helix	trans	-62.4	-43.3	168.8	0	0	0	0	0	110.9	T132 H139	T132-G135 WeakPolarHBondContact O-CA 3.42Å; T132-G135 PolarHBondContact O-N 3.08Å; G135-H139 WeakPolarHBondContact O-CB 3.49Å; G135-H139 PolarHBondContact O-N 2.72Å; G135-H139 VanDerWaalsContact O-N 3.1Å
136	F	75.5	Confident	70.2	Confident	36 Å²	36	61.8 Å²	61.8	16%	0.158	33%	0.33	C	S	.	.	H	α-helix	trans	-67.6	-53.9	177.8	-173.5	-122.1	0	0	0	114.1	F121 K122 C123 Y130 T132 L134 R138 H139 L140	F121-F136 HydrophobicContact CB-CB 3.59Å; F121-F136 HydrophobicContact CB-CD1 3.71Å; F121-F136 HydrophobicContact CB-CD2 3.73Å; F121-F136 HydrophobicContact CB-CE1 4.26Å; F121-F136 HydrophobicContact CB-CE2 4.29Å; F121-F136 HydrophobicContact CB-CG 3.4Å; F121-F136 VanDerWaalsContact CB-CG 3.4Å; F121-F136 HydrophobicContact CD1-CD1 4.09Å; F121-F136 HydrophobicContact CG-CB 4.07Å; F121-F136 HydrophobicContact CG-CD1 4.13Å; F121-F136 HydrophobicContact CG-CG 4.14Å; K122-F136 VanDerWaalsContact O-CE2 3.28Å; K122-F136 WeakPolarHBondContact O-CE2 3.17Å; K122-F136 WeakPolarHBondContact O-CZ 3.22Å; C123-F136 HydrophobicContact CB-CE2 4.11Å; Y130-F136 HydrophobicContact CD2-CD2 4.14Å; T132-F136 PolarHBondContact O-N 3.46Å; L134-F136 VanDerWaalsContact C-N 3.31Å; F136-R138 VanDerWaalsContact C-N 3.26Å; F136-R138 PolarHBondContact O-N 3.02Å; F136-H139 CarbonylContact O-C 3.33Å; F136-H139 WeakPolarHBondContact O-CA 3.39Å; F136-H139 WeakPolarHBondContact O-CB 3.39Å; F136-H139 PolarHBondContact O-N 3.04Å; F136-L140 HydrophobicContact CD1-CD1 4.11Å; F136-L140 HydrophobicContact CD2-CG 4.39Å; F136-L140 HydrophobicContact CE1-CD1 3.59Å; F136-L140 HydrophobicContact CE1-CG 4.22Å; F136-L140 HydrophobicContact CE2-CD1 4.25Å; F136-L140 HydrophobicContact CE2-CD2 3.97Å; F136-L140 HydrophobicContact CE2-CG 4.04Å; F136-L140 HydrophobicContact CZ-CD1 3.68Å; F136-L140 HydrophobicContact CZ-CD2 4.01Å; F136-L140 HydrophobicContact CZ-CG 3.97Å; F136-L140 PolarHBondContact O-N 3.09Å
137	K	73.3	Confident	69.6	Low	91 Å²	91	64.4 Å²	64.4	40%	0.396	35%	0.348	S	S	.	.	H	α-helix	trans	-54.7	-41.4	176.5	-91.7	-154	170.5	-160.7	0	111.8	K133 H139 L140 A141 E355	K133-K137 PolarHBondContact O-N 3.41Å; K137-H139 VanDerWaalsContact C-N 3.3Å; K137-H139 PolarHBondContact O-N 3.24Å; K137-L140 PolarHBondContact O-N 2.79Å; K137-A141 WeakPolarHBondContact O-CB 3.46Å; K137-A141 PolarHBondContact O-N 3.1Å; K137-E355 IonicContact NZ-OE2 3.68Å; K137-E355 PolarHBondContact NZ-OE2 3.47Å
138	R	72.3	Confident	69.2	Low	166 Å²	166	65.1 Å²	65.1	63%	0.626	36%	0.356	S	S	*	.	H	α-helix	trans	-66.8	-28.4	175.3	177.8	173	54.3	106	4.5	113.3	L134 F136	L134-R138 VanDerWaalsContact O-CB 3.27Å; L134-R138 WeakPolarHBondContact O-CB 3.42Å; L134-R138 PolarHBondContact O-N 3.38Å; F136-R138 VanDerWaalsContact C-N 3.26Å; F136-R138 PolarHBondContact O-N 3.02Å
139	H	74.1	Confident	68.6	Low	12 Å²	12	67.1 Å²	67.1	6%	0.056	37%	0.37	C	S	.	.	H	α-helix	trans	-78	-43.6	175.4	169.2	42.2	0	0	0	111.8	C123 C126 Y130 G135 F136 K137 A141 L142 H143	C123-H139 WeakPolarHBondContact CB-NE2 3.36Å; C123-H139 PolarHBondContact SG-NE2 3.4Å; C126-H139 PolarHBondContact SG-CE1 3.28Å; C126-H139 PolarHBondContact SG-NE2 2.98Å; Y130-H139 AromaticContact CD2-CD2 3.9Å; Y130-H139 HydrophobicContact CE1-CB 4.16Å; Y130-H139 HydrophobicContact CE2-CB 4.16Å; Y130-H139 AromaticContact CE2-CD2 3.04Å; Y130-H139 WeakPolarHBondContact CE2-CD2 3.43Å; Y130-H139 AromaticContact CE2-CG 3.72Å; Y130-H139 AromaticContact CE2-NE2 3.61Å; Y130-H139 AromaticContact CZ-CD2 3.39Å; Y130-H139 AromaticContact CZ-CG 3.56Å; Y130-H139 AromaticContact CZ-NE2 3.95Å; Y130-H139 PolarHBondContact OH-CD2 3.27Å; G135-H139 WeakPolarHBondContact O-CB 3.49Å; G135-H139 PolarHBondContact O-N 2.72Å; G135-H139 VanDerWaalsContact O-N 3.1Å; F136-H139 CarbonylContact O-C 3.33Å; F136-H139 WeakPolarHBondContact O-CA 3.39Å; F136-H139 WeakPolarHBondContact O-CB 3.39Å; F136-H139 PolarHBondContact O-N 3.04Å; K137-H139 VanDerWaalsContact C-N 3.3Å; K137-H139 PolarHBondContact O-N 3.24Å; H139-A141 PolarHBondContact O-N 2.58Å; H139-L142 WeakPolarHBondContact O-CA 3.49Å; H139-L142 WeakPolarHBondContact O-CB 3.43Å; H139-L142 PolarHBondContact O-N 2.9Å; H139-H143 AromaticContact CE1-CD2 3.42Å; H139-H143 PolarHBondContact CE1-CD2 2.98Å; H139-H143 VanDerWaalsContact CE1-CD2 3.42Å; H139-H143 AromaticContact CE1-NE2 3.18Å; H139-H143 PolarHBondContact CE1-NE2 3.14Å; H139-H143 AromaticContact ND1-CD2 3.75Å; H139-H143 AromaticContact ND1-NE2 3.94Å; H139-H143 AromaticContact NE2-NE2 3.89Å; H139-H143 PolarHBondContact O-N 3.3Å
140	L	74.3	Confident	68.2	Low	57 Å²	57	64.9 Å²	64.9	30%	0.298	36%	0.358	S	S	.	.	H	α-helix	trans	-60.7	-35.3	171.5	-64.9	-176.9	0	0	0	111.7	F136 K137 L142 H143 A144	F136-L140 HydrophobicContact CD1-CD1 4.11Å; F136-L140 HydrophobicContact CD2-CG 4.39Å; F136-L140 HydrophobicContact CE1-CD1 3.59Å; F136-L140 HydrophobicContact CE1-CG 4.22Å; F136-L140 HydrophobicContact CE2-CD1 4.25Å; F136-L140 HydrophobicContact CE2-CD2 3.97Å; F136-L140 HydrophobicContact CE2-CG 4.04Å; F136-L140 HydrophobicContact CZ-CD1 3.68Å; F136-L140 HydrophobicContact CZ-CD2 4.01Å; F136-L140 HydrophobicContact CZ-CG 3.97Å; F136-L140 PolarHBondContact O-N 3.09Å; K137-L140 PolarHBondContact O-N 2.79Å; L140-L142 PolarHBondContact O-N 3.49Å; L140-H143 WeakPolarHBondContact O-CA 3.34Å; L140-H143 WeakPolarHBondContact O-CB 3.17Å; L140-H143 PolarHBondContact O-N 3.06Å; L140-A144 PolarHBondContact O-N 3.3Å
141	A	70.3	Confident	67.3	Low	20 Å²	20	63.9 Å²	63.9	17%	0.165	36%	0.358	C	S	.	.	H	α-helix	trans	-62.6	-23.9	172.3	0	0	0	0	0	113.6	K137 H139 A145	K137-A141 WeakPolarHBondContact O-CB 3.46Å; K137-A141 PolarHBondContact O-N 3.1Å; H139-A141 PolarHBondContact O-N 2.58Å; A141-A145 WeakPolarHBondContact O-CB 3.04Å; A141-A145 PolarHBondContact O-N 3.39Å; A141-A145 VanDerWaalsContact O-N 3.13Å
142	L	65.6	Low	66.7	Low	72 Å²	72	61 Å²	61	38%	0.377	34%	0.342	S	S	.	.	H	α-helix	trans	-79.2	-25.9	170.6	-64.5	168.2	0	0	0	112.3	H139 L140 T146 L166	H139-L142 WeakPolarHBondContact O-CA 3.49Å; H139-L142 WeakPolarHBondContact O-CB 3.43Å; H139-L142 PolarHBondContact O-N 2.9Å; L140-L142 PolarHBondContact O-N 3.49Å; L142-T146 WeakPolarHBondContact O-CB 3.38Å; L142-T146 PolarHBondContact O-OG1 3.28Å; L142-T146 VanDerWaalsContact O-OG1 3.1Å; L142-L166 HydrophobicContact CB-CD1 4.47Å; L142-L166 HydrophobicContact CD1-CD1 4.08Å; L142-L166 HydrophobicContact CD2-CD1 4.47Å; L142-L166 HydrophobicContact CD2-CD2 4.44Å
143	H	64.9	Low	66.2	Low	10 Å²	10	68.5 Å²	68.5	5%	0.046	37%	0.373	C	S	.	.	H	α-helix	trans	-74.4	-49.9	171.2	-81.3	-103.6	0	0	0	110.5	E125 H139 L140 A145 T146 S147	E125-H143 WeakPolarHBondContact OE1-CB 3.41Å; E125-H143 IonicContact OE1-CG 3.61Å; E125-H143 IonicContact OE1-ND1 3.74Å; E125-H143 IonicContact OE2-CE1 3.2Å; E125-H143 IonicContact OE2-CG 2.7Å; E125-H143 IonicContact OE2-ND1 2.79Å; E125-H143 PolarHBondContact OE2-ND1 3.5Å; H139-H143 AromaticContact CE1-CD2 3.42Å; H139-H143 PolarHBondContact CE1-CD2 2.98Å; H139-H143 VanDerWaalsContact CE1-CD2 3.42Å; H139-H143 AromaticContact CE1-NE2 3.18Å; H139-H143 PolarHBondContact CE1-NE2 3.14Å; H139-H143 AromaticContact ND1-CD2 3.75Å; H139-H143 AromaticContact ND1-NE2 3.94Å; H139-H143 AromaticContact NE2-NE2 3.89Å; H139-H143 PolarHBondContact O-N 3.3Å; L140-H143 WeakPolarHBondContact O-CA 3.34Å; L140-H143 WeakPolarHBondContact O-CB 3.17Å; L140-H143 PolarHBondContact O-N 3.06Å; H143-A145 PolarHBondContact O-N 3.44Å; H143-T146 CarbonylContact O-C 3.58Å; H143-T146 WeakPolarHBondContact O-CA 3.41Å; H143-T146 PolarHBondContact O-N 2.84Å; H143-S147 PolarHBondContact O-N 3.02Å
144	A	64.1	Low	65.6	Low	48 Å²	48	66.2 Å²	66.2	40%	0.397	37%	0.37	S	S	.	.	H	α-helix	trans	-61	-28	175.8	0	0	0	0	0	114	L140 T146 S147	L140-A144 PolarHBondContact O-N 3.3Å; A144-T146 VanDerWaalsContact C-N 3.27Å; A144-T146 PolarHBondContact O-N 2.7Å; A144-S147 PolarHBondContact O-OG 3.04Å
145	A	60.2	Low	65.2	Low	64 Å²	64	61.7 Å²	61.7	53%	0.529	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	8.1	173.2	0	0	0	0	0	113.9	A141 H143	A141-A145 WeakPolarHBondContact O-CB 3.04Å; A141-A145 PolarHBondContact O-N 3.39Å; A141-A145 VanDerWaalsContact O-N 3.13Å; H143-A145 PolarHBondContact O-N 3.44Å
146	T	58.5	Low	64.9	Low	21 Å²	21	67.8 Å²	67.8	13%	0.129	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.3	0.6	-177.7	-55.5	0	0	0	0	112.6	L142 H143 A144 G148 L150 T162 L165	L142-T146 WeakPolarHBondContact O-CB 3.38Å; L142-T146 PolarHBondContact O-OG1 3.28Å; L142-T146 VanDerWaalsContact O-OG1 3.1Å; H143-T146 CarbonylContact O-C 3.58Å; H143-T146 WeakPolarHBondContact O-CA 3.41Å; H143-T146 PolarHBondContact O-N 2.84Å; A144-T146 VanDerWaalsContact C-N 3.27Å; A144-T146 PolarHBondContact O-N 2.7Å; T146-G148 PolarHBondContact O-N 3.18Å; T146-L150 HydrophobicContact CG2-CD2 3.4Å; T146-L150 HydrophobicContact CG2-CG 3.88Å; T146-T162 HydrophobicContact CG2-CG2 3.79Å; T146-L165 HydrophobicContact CG2-CD2 3.7Å
147	S	58.2	Low	64.3	Low	97 Å²	97	71.2 Å²	71.2	68%	0.678	40%	0.396	S	S	*	.	S	Bend	trans	-77.3	-5.4	171.3	56.2	0	0	0	0	113.7	H143 A144	H143-S147 PolarHBondContact O-N 3.02Å; A144-S147 PolarHBondContact O-OG 3.04Å
148	G	60.9	Low	64	Low	55 Å²	55	72 Å²	72	57%	0.567	41%	0.409	S	S	*	.	S	Bend	trans	-109	121.7	155.4	0	0	0	0	0	107.9	T146	T146-G148 PolarHBondContact O-N 3.18Å
149	D	56.8	Low	63.9	Low	126 Å²	126	66 Å²	66	67%	0.674	39%	0.388	S	S	*	.			trans	36.7	113.1	-177.9	-59.7	-16.7	0	0	0	117.1	T151	D149-T151 HydrophobicContact CB-CG2 4.12Å; D149-T151 WeakPolarHBondContact CB-OG1 3.46Å; D149-T151 PolarHBondContact O-N 2.92Å
150	L	68.2	Low	63.5	Low	53 Å²	53	74.9 Å²	74.9	28%	0.277	43%	0.429	S	S	.	.			trans	-68.9	28.2	165.4	-77.9	145.9	0	0	0	113.1	T146 F159 T162 L165	T146-L150 HydrophobicContact CG2-CD2 3.4Å; T146-L150 HydrophobicContact CG2-CG 3.88Å; L150-F159 WeakPolarHBondContact CB-O 3.39Å; L150-F159 WeakPolarHBondContact CD1-O 3.48Å; L150-F159 PolarHBondContact O-N 2.98Å; L150-T162 HydrophobicContact CD2-CG2 4.21Å; L150-L165 HydrophobicContact CD2-CD2 4.3Å
151	T	55.4	Low	63	Low	35 Å²	35	74.5 Å²	74.5	22%	0.215	43%	0.431	C	S	.	.	B	Isolated β-bridge	trans	-82.6	134	177.6	54	0	0	0	0	111.8	D149 K153 Q157 T158	D149-T151 HydrophobicContact CB-CG2 4.12Å; D149-T151 WeakPolarHBondContact CB-OG1 3.46Å; D149-T151 PolarHBondContact O-N 2.92Å; T151-K153 PolarHBondContact O-N 3.34Å; T151-K153 VanDerWaalsContact O-N 3.09Å; T151-Q157 CarbonylContact C-O 3.4Å; T151-Q157 WeakPolarHBondContact CA-O 3.44Å; T151-T158 HydrophobicContact CG2-CG2 3.62Å
152	C	57.9	Low	62.7	Low	0 Å²	0	74.4 Å²	74.4	0%	0	43%	0.429	C	S	.	.			trans	-61.5	102.9	163.1	165.5	0	0	0	0	110.4	V154 C155 L156 Q157 F159 L165 H168 H172	C152-V154 PolarHBondContact O-N 3.27Å; C152-C155 HydrophobicContact CB-CB 4.37Å; C152-C155 WeakPolarHBondContact CB-SG 3.15Å; C152-C155 PolarHBondContact O-N 3.41Å; C152-C155 VanDerWaalsContact SG-CA 3.57Å; C152-C155 WeakPolarHBondContact SG-CB 3.43Å; C152-C155 PolarHBondContact SG-N 3.19Å; C152-C155 CovalentContact SG-SG 2.05Å; C152-C155 PolarHBondContact SG-SG 3.18Å; C152-L156 VanDerWaalsContact O-CA 3.25Å; C152-L156 WeakPolarHBondContact O-CA 3.4Å; C152-L156 PolarHBondContact O-N 3.3Å; C152-Q157 HydrophobicContact CB-CB 4.3Å; C152-Q157 WeakPolarHBondContact CB-O 3.24Å; C152-Q157 PolarHBondContact N-O 3Å; C152-F159 HydrophobicContact CB-CE2 4.06Å; C152-L165 HydrophobicContact CB-CD1 4.43Å; C152-H168 PolarHBondContact SG-NE2 3.21Å; C152-H172 PolarHBondContact SG-NE2 2.94Å
153	K	62.1	Low	62.8	Low	188 Å²	188	72.5 Å²	72.5	82%	0.817	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-6.9	178.2	-61	-165.3	177.9	-168.8	0	115.5	T151	T151-K153 PolarHBondContact O-N 3.34Å; T151-K153 VanDerWaalsContact O-N 3.09Å
154	V	60.3	Low	63	Low	90 Å²	90	75.7 Å²	75.7	55%	0.545	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-16.1	177.9	-171.4	0	0	0	0	112.6	C152 H172	C152-V154 PolarHBondContact O-N 3.27Å; V154-H172 HydrophobicContact CG1-CB 4.38Å; V154-H172 WeakPolarHBondContact CG1-ND1 3.49Å; V154-H172 HydrophobicContact CG2-CB 4.37Å
155	C	64.4	Low	63.2	Low	48 Å²	48	73.8 Å²	73.8	32%	0.324	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.7	4.2	-166.6	71.4	0	0	0	0	115	C152 Q157 H168 H172	C152-C155 HydrophobicContact CB-CB 4.37Å; C152-C155 WeakPolarHBondContact CB-SG 3.15Å; C152-C155 PolarHBondContact O-N 3.41Å; C152-C155 VanDerWaalsContact SG-CA 3.57Å; C152-C155 WeakPolarHBondContact SG-CB 3.43Å; C152-C155 PolarHBondContact SG-N 3.19Å; C152-C155 CovalentContact SG-SG 2.05Å; C152-C155 PolarHBondContact SG-SG 3.18Å; C155-Q157 PolarHBondContact O-N 3.21Å; C155-H168 PolarHBondContact SG-NE2 3.42Å; C155-H172 PolarHBondContact SG-NE2 2.96Å
156	L	65.8	Low	63.6	Low	135 Å²	135	73.5 Å²	73.5	71%	0.707	42%	0.419	S	S	*	.			trans	56.4	-0.8	177.1	-50.4	-178.3	0	0	0	117.3	C152 T158	C152-L156 VanDerWaalsContact O-CA 3.25Å; C152-L156 WeakPolarHBondContact O-CA 3.4Å; C152-L156 PolarHBondContact O-N 3.3Å; L156-T158 PolarHBondContact O-N 3.13Å
157	Q	62.2	Low	64	Low	107 Å²	107	79 Å²	79	50%	0.5	44%	0.443	S	S	.	.			trans	-56.6	123.7	172.9	-67.8	-172	-33	0	0	111.7	T151 C152 C155 F159 H168	T151-Q157 CarbonylContact C-O 3.4Å; T151-Q157 WeakPolarHBondContact CA-O 3.44Å; C152-Q157 HydrophobicContact CB-CB 4.3Å; C152-Q157 WeakPolarHBondContact CB-O 3.24Å; C152-Q157 PolarHBondContact N-O 3Å; C155-Q157 PolarHBondContact O-N 3.21Å; Q157-F159 HydrophobicContact CB-CE2 3.65Å; Q157-F159 HydrophobicContact CB-CZ 3.85Å; Q157-F159 VanDerWaalsContact O-CD2 3.32Å; Q157-F159 WeakPolarHBondContact O-CD2 3.39Å; Q157-F159 VanDerWaalsContact O-CE2 3.24Å; Q157-F159 WeakPolarHBondContact O-CE2 3.39Å; Q157-H168 PolarHBondContact OE1-CE1 2.86Å
158	T	67.6	Low	64.4	Low	109 Å²	109	75.9 Å²	75.9	67%	0.669	42%	0.418	S	S	*	.	B	Isolated β-bridge	trans	-74.1	149.8	168.1	43	0	0	0	0	111	T151 L156	T151-T158 HydrophobicContact CG2-CG2 3.62Å; L156-T158 PolarHBondContact O-N 3.13Å
159	F	69.9	Low	64.5	Low	40 Å²	40	76.2 Å²	76.2	18%	0.175	41%	0.406	C	S	.	.			trans	-133	149.3	175.9	-69.1	-83.4	0	0	0	111.3	L150 C152 Q157 S161 V164 L165 H168	L150-F159 WeakPolarHBondContact CB-O 3.39Å; L150-F159 WeakPolarHBondContact CD1-O 3.48Å; L150-F159 PolarHBondContact O-N 2.98Å; C152-F159 HydrophobicContact CB-CE2 4.06Å; Q157-F159 HydrophobicContact CB-CE2 3.65Å; Q157-F159 HydrophobicContact CB-CZ 3.85Å; Q157-F159 VanDerWaalsContact O-CD2 3.32Å; Q157-F159 WeakPolarHBondContact O-CD2 3.39Å; Q157-F159 VanDerWaalsContact O-CE2 3.24Å; Q157-F159 WeakPolarHBondContact O-CE2 3.39Å; F159-S161 VanDerWaalsContact C-N 3.28Å; F159-S161 PolarHBondContact O-N 3.29Å; F159-V164 HydrophobicContact CD1-CB 4.32Å; F159-V164 HydrophobicContact CD1-CG1 3.6Å; F159-V164 HydrophobicContact CE1-CG1 4.14Å; F159-L165 HydrophobicContact CB-CB 4.17Å; F159-L165 HydrophobicContact CD2-CB 4.31Å; F159-L165 HydrophobicContact CD2-CD1 3.7Å; F159-L165 HydrophobicContact CE2-CD1 4.16Å; F159-L165 HydrophobicContact CG-CB 4.33Å; F159-H168 HydrophobicContact CE1-CB 4.11Å; F159-H168 HydrophobicContact CE2-CB 4.27Å; F159-H168 AromaticContact CE2-CD2 3.47Å; F159-H168 VanDerWaalsContact CE2-CD2 3.47Å; F159-H168 WeakPolarHBondContact CE2-CD2 3.14Å; F159-H168 AromaticContact CE2-CG 3.69Å; F159-H168 AromaticContact CE2-NE2 3.75Å; F159-H168 HydrophobicContact CZ-CB 3.86Å; F159-H168 AromaticContact CZ-CD2 3.56Å; F159-H168 AromaticContact CZ-CE1 3.59Å; F159-H168 AromaticContact CZ-CG 3.3Å; F159-H168 AromaticContact CZ-ND1 3.34Å; F159-H168 VanDerWaalsContact CZ-ND1 3.34Å; F159-H168 WeakPolarHBondContact CZ-ND1 3.27Å; F159-H168 AromaticContact CZ-NE2 3.75Å
160	E	66.3	Low	65.1	Low	197 Å²	197	76.5 Å²	76.5	92%	0.921	40%	0.402	S	S	*	.	S	Bend	trans	-77.7	-11.7	-179.3	-63.1	165.8	-176.5	0	0	113.3
161	S	63.4	Low	64.7	Low	49 Å²	49	76.8 Å²	76.8	34%	0.343	41%	0.408	S	S	.	.			trans	-155	141.6	-173.8	-173.4	0	0	0	0	113.8	F159 G163 V164 L165	F159-S161 VanDerWaalsContact C-N 3.28Å; F159-S161 PolarHBondContact O-N 3.29Å; S161-G163 PolarHBondContact O-N 2.97Å; S161-G163 VanDerWaalsContact O-N 3.12Å; S161-G163 PolarHBondContact OG-N 3.38Å; S161-V164 PolarHBondContact O-N 3.26Å; S161-L165 PolarHBondContact O-N 3.18Å
162	T	63.4	Low	64.7	Low	18 Å²	18	76.8 Å²	76.8	11%	0.11	41%	0.405	C	S	.	.	H	α-helix	trans	-53.4	-32	172.5	68.1	0	0	0	0	112.2	T146 L150 L166	T146-T162 HydrophobicContact CG2-CG2 3.79Å; L150-T162 HydrophobicContact CD2-CG2 4.21Å; T162-L166 VanDerWaalsContact O-CB 3.22Å; T162-L166 WeakPolarHBondContact O-CB 3.42Å; T162-L166 WeakPolarHBondContact O-CD1 3.41Å; T162-L166 WeakPolarHBondContact O-CG 3.5Å; T162-L166 PolarHBondContact O-N 3.39Å
163	G	68.6	Low	64.7	Low	32 Å²	32	80.8 Å²	80.8	33%	0.33	44%	0.438	S	S	.	.	H	α-helix	trans	-66	-44	177.4	0	0	0	0	0	113.1	S161 E167	S161-G163 PolarHBondContact O-N 2.97Å; S161-G163 VanDerWaalsContact O-N 3.12Å; S161-G163 PolarHBondContact OG-N 3.38Å; G163-E167 PolarHBondContact O-N 2.98Å
164	V	68.8	Low	64.1	Low	78 Å²	78	74.8 Å²	74.8	47%	0.473	43%	0.43	S	S	.	.	H	α-helix	trans	-73.3	-44.4	-179.9	-175.1	0	0	0	0	109.9	F159 S161 L166 E167 H168	F159-V164 HydrophobicContact CD1-CB 4.32Å; F159-V164 HydrophobicContact CD1-CG1 3.6Å; F159-V164 HydrophobicContact CE1-CG1 4.14Å; S161-V164 PolarHBondContact O-N 3.26Å; V164-L166 VanDerWaalsContact C-N 3.31Å; V164-L166 PolarHBondContact O-N 3.42Å; V164-E167 PolarHBondContact O-N 3.42Å; V164-H168 WeakPolarHBondContact O-CB 3.4Å; V164-H168 PolarHBondContact O-N 2.87Å
165	L	69	Low	63.8	Low	7 Å²	7	79.5 Å²	79.5	4%	0.037	44%	0.443	C	S	.	.	H	α-helix	trans	-57.2	-43.3	173.6	178.8	61.8	0	0	0	111.5	T146 L150 C152 F159 S161 E167 H168 L169	T146-L165 HydrophobicContact CG2-CD2 3.7Å; L150-L165 HydrophobicContact CD2-CD2 4.3Å; C152-L165 HydrophobicContact CB-CD1 4.43Å; F159-L165 HydrophobicContact CB-CB 4.17Å; F159-L165 HydrophobicContact CD2-CB 4.31Å; F159-L165 HydrophobicContact CD2-CD1 3.7Å; F159-L165 HydrophobicContact CE2-CD1 4.16Å; F159-L165 HydrophobicContact CG-CB 4.33Å; S161-L165 PolarHBondContact O-N 3.18Å; L165-E167 VanDerWaalsContact C-N 3.26Å; L165-E167 PolarHBondContact O-N 3.45Å; L165-H168 PolarHBondContact O-N 2.82Å; L165-L169 HydrophobicContact CD1-CD1 4.06Å; L165-L169 HydrophobicContact CD1-CD2 4.49Å; L165-L169 HydrophobicContact CD1-CG 3.97Å; L165-L169 HydrophobicContact CG-CD1 3.89Å; L165-L169 HydrophobicContact CG-CG 4.27Å; L165-L169 WeakPolarHBondContact O-CB 3.41Å; L165-L169 VanDerWaalsContact O-CG 3.25Å; L165-L169 WeakPolarHBondContact O-CG 3.28Å; L165-L169 PolarHBondContact O-N 3.33Å
166	L	68.7	Low	62.5	Low	59 Å²	59	80.9 Å²	80.9	31%	0.309	45%	0.454	S	S	.	.	H	α-helix	trans	-71.8	-12.8	176.8	-73.5	169.8	0	0	0	114.2	L142 T162 V164 K170	L142-L166 HydrophobicContact CB-CD1 4.47Å; L142-L166 HydrophobicContact CD1-CD1 4.08Å; L142-L166 HydrophobicContact CD2-CD1 4.47Å; L142-L166 HydrophobicContact CD2-CD2 4.44Å; T162-L166 VanDerWaalsContact O-CB 3.22Å; T162-L166 WeakPolarHBondContact O-CB 3.42Å; T162-L166 WeakPolarHBondContact O-CD1 3.41Å; T162-L166 WeakPolarHBondContact O-CG 3.5Å; T162-L166 PolarHBondContact O-N 3.39Å; V164-L166 VanDerWaalsContact C-N 3.31Å; V164-L166 PolarHBondContact O-N 3.42Å; L166-K170 WeakPolarHBondContact O-CE 3.39Å; L166-K170 WeakPolarHBondContact O-CG 3.44Å; L166-K170 PolarHBondContact O-NZ 2.97Å
167	E	66.3	Low	61.4	Low	137 Å²	137	80.1 Å²	80.1	64%	0.64	46%	0.46	S	S	*	.	H	α-helix	trans	-87.5	-46.1	167.8	-177.4	139.4	-136.2	0	0	110.9	G163 V164 L165 L169 K170	G163-E167 PolarHBondContact O-N 2.98Å; V164-E167 PolarHBondContact O-N 3.42Å; L165-E167 VanDerWaalsContact C-N 3.26Å; L165-E167 PolarHBondContact O-N 3.45Å; E167-L169 PolarHBondContact O-N 3.05Å; E167-K170 VanDerWaalsContact O-CB 3.28Å; E167-K170 WeakPolarHBondContact O-CB 3.29Å; E167-K170 PolarHBondContact O-N 3.48Å
168	H	66.8	Low	60.5	Low	31 Å²	31	79.2 Å²	79.2	14%	0.144	48%	0.479	C	S	.	.	H	α-helix	trans	-57.4	-42.3	173.7	174.9	83.6	0	0	0	113.1	C152 C155 Q157 F159 V164 L165 K170 S171 H172	C152-H168 PolarHBondContact SG-NE2 3.21Å; C155-H168 PolarHBondContact SG-NE2 3.42Å; Q157-H168 PolarHBondContact OE1-CE1 2.86Å; F159-H168 HydrophobicContact CE1-CB 4.11Å; F159-H168 HydrophobicContact CE2-CB 4.27Å; F159-H168 AromaticContact CE2-CD2 3.47Å; F159-H168 VanDerWaalsContact CE2-CD2 3.47Å; F159-H168 WeakPolarHBondContact CE2-CD2 3.14Å; F159-H168 AromaticContact CE2-CG 3.69Å; F159-H168 AromaticContact CE2-NE2 3.75Å; F159-H168 HydrophobicContact CZ-CB 3.86Å; F159-H168 AromaticContact CZ-CD2 3.56Å; F159-H168 AromaticContact CZ-CE1 3.59Å; F159-H168 AromaticContact CZ-CG 3.3Å; F159-H168 AromaticContact CZ-ND1 3.34Å; F159-H168 VanDerWaalsContact CZ-ND1 3.34Å; F159-H168 WeakPolarHBondContact CZ-ND1 3.27Å; F159-H168 AromaticContact CZ-NE2 3.75Å; V164-H168 WeakPolarHBondContact O-CB 3.4Å; V164-H168 PolarHBondContact O-N 2.87Å; L165-H168 PolarHBondContact O-N 2.82Å; H168-K170 PolarHBondContact O-N 3.46Å; H168-S171 WeakPolarHBondContact O-CA 3.49Å; H168-S171 VanDerWaalsContact O-CB 3.26Å; H168-S171 WeakPolarHBondContact O-CB 3.44Å; H168-S171 PolarHBondContact O-N 3.31Å; H168-S171 PolarHBondContact O-OG 3Å; H168-H172 AromaticContact CD2-CD2 3.79Å; H168-H172 AromaticContact CD2-NE2 3.7Å; H168-H172 AromaticContact CE1-NE2 3.45Å; H168-H172 PolarHBondContact CE1-NE2 3.48Å; H168-H172 AromaticContact NE2-CD2 3.45Å; H168-H172 PolarHBondContact NE2-CD2 2.96Å; H168-H172 AromaticContact NE2-NE2 2.88Å; H168-H172 PolarHBondContact NE2-NE2 2.87Å; H168-H172 PolarHBondContact O-N 3.48Å
169	L	63.1	Low	59.1	Low	62 Å²	62	77.2 Å²	77.2	33%	0.325	48%	0.48	S	S	.	.	H	α-helix	trans	-63.8	-22.6	174.4	-72.2	170.3	0	0	0	113.3	L165 E167 S171 H172 A173	L165-L169 HydrophobicContact CD1-CD1 4.06Å; L165-L169 HydrophobicContact CD1-CD2 4.49Å; L165-L169 HydrophobicContact CD1-CG 3.97Å; L165-L169 HydrophobicContact CG-CD1 3.89Å; L165-L169 HydrophobicContact CG-CG 4.27Å; L165-L169 WeakPolarHBondContact O-CB 3.41Å; L165-L169 VanDerWaalsContact O-CG 3.25Å; L165-L169 WeakPolarHBondContact O-CG 3.28Å; L165-L169 PolarHBondContact O-N 3.33Å; E167-L169 PolarHBondContact O-N 3.05Å; L169-S171 VanDerWaalsContact C-N 3.28Å; L169-H172 PolarHBondContact O-N 2.88Å; L169-A173 WeakPolarHBondContact O-CB 3.42Å; L169-A173 PolarHBondContact O-N 3.44Å
170	K	69.3	Low	58.1	Low	132 Å²	132	81.7 Å²	81.7	57%	0.574	51%	0.511	S	S	*	.	H	α-helix	trans	-71.8	-24.5	170.3	-57.1	171.2	-167.5	104.8	0	111.8	L166 E167 H168 G174	L166-K170 WeakPolarHBondContact O-CE 3.39Å; L166-K170 WeakPolarHBondContact O-CG 3.44Å; L166-K170 PolarHBondContact O-NZ 2.97Å; E167-K170 VanDerWaalsContact O-CB 3.28Å; E167-K170 WeakPolarHBondContact O-CB 3.29Å; E167-K170 PolarHBondContact O-N 3.48Å; H168-K170 PolarHBondContact O-N 3.46Å; K170-G174 PolarHBondContact O-N 2.89Å
171	S	59.9	Low	57.5	Low	59 Å²	59	80.4 Å²	80.4	41%	0.413	50%	0.502	S	S	.	.	H	α-helix	trans	-71.5	-39.8	173.8	82.8	0	0	0	0	111.4	H168 L169 G174 K175	H168-S171 WeakPolarHBondContact O-CA 3.49Å; H168-S171 VanDerWaalsContact O-CB 3.26Å; H168-S171 WeakPolarHBondContact O-CB 3.44Å; H168-S171 PolarHBondContact O-N 3.31Å; H168-S171 PolarHBondContact O-OG 3Å; L169-S171 VanDerWaalsContact C-N 3.28Å; S171-G174 CarbonylContact O-C 3.23Å; S171-G174 WeakPolarHBondContact O-CA 3.29Å; S171-G174 PolarHBondContact O-N 3.1Å; S171-G174 VanDerWaalsContact O-N 3.09Å; S171-K175 PolarHBondContact O-N 3.23Å
172	H	55.1	Low	57.2	Low	34 Å²	34	82.7 Å²	82.7	16%	0.157	51%	0.507	C	S	.	.	H	α-helix	trans	-64.1	-45.8	170.5	-69.1	-60.5	0	0	0	112.2	C152 V154 C155 H168 L169 G174 K175 S176	C152-H172 PolarHBondContact SG-NE2 2.94Å; V154-H172 HydrophobicContact CG1-CB 4.38Å; V154-H172 WeakPolarHBondContact CG1-ND1 3.49Å; V154-H172 HydrophobicContact CG2-CB 4.37Å; C155-H172 PolarHBondContact SG-NE2 2.96Å; H168-H172 AromaticContact CD2-CD2 3.79Å; H168-H172 AromaticContact CD2-NE2 3.7Å; H168-H172 AromaticContact CE1-NE2 3.45Å; H168-H172 PolarHBondContact CE1-NE2 3.48Å; H168-H172 AromaticContact NE2-CD2 3.45Å; H168-H172 PolarHBondContact NE2-CD2 2.96Å; H168-H172 AromaticContact NE2-NE2 2.88Å; H168-H172 PolarHBondContact NE2-NE2 2.87Å; H168-H172 PolarHBondContact O-N 3.48Å; L169-H172 PolarHBondContact O-N 2.88Å; H172-G174 PolarHBondContact O-N 3.44Å; H172-K175 PolarHBondContact O-N 3.34Å; H172-S176 PolarHBondContact O-N 2.86Å; H172-S176 PolarHBondContact O-OG 3.19Å
173	A	57	Low	57.3	Low	84 Å²	84	86.1 Å²	86.1	69%	0.694	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-4.2	172.3	0	0	0	0	0	114.4	L169	L169-A173 WeakPolarHBondContact O-CB 3.42Å; L169-A173 PolarHBondContact O-N 3.44Å
174	G	51.1	Low	57.5	Low	63 Å²	63	91.4 Å²	91.4	65%	0.649	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-3.7	169.6	0	0	0	0	0	115.2	K170 S171 H172	K170-G174 PolarHBondContact O-N 2.89Å; S171-G174 CarbonylContact O-C 3.23Å; S171-G174 WeakPolarHBondContact O-CA 3.29Å; S171-G174 PolarHBondContact O-N 3.1Å; S171-G174 VanDerWaalsContact O-N 3.09Å; H172-G174 PolarHBondContact O-N 3.44Å
175	K	53.1	Low	57.9	Low	188 Å²	188	90.2 Å²	90.2	82%	0.817	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.7	-16.8	-171.3	-71.3	-169.6	174.7	-174.9	0	116.9	S171 H172 S177	S171-K175 PolarHBondContact O-N 3.23Å; H172-K175 PolarHBondContact O-N 3.34Å; K175-S177 PolarHBondContact O-N 2.99Å; K175-S177 VanDerWaalsContact O-N 3.16Å
176	S	37.7	Very low	58.5	Low	77 Å²	77	94.9 Å²	94.9	54%	0.538	55%	0.545	S	S	.	.	S	Bend	trans	-82.1	93.3	178.4	62.6	0	0	0	0	112.7	H172	H172-S176 PolarHBondContact O-N 2.86Å; H172-S176 PolarHBondContact O-OG 3.19Å
177	S	43.2	Very low	59.2	Low	119 Å²	119	92.3 Å²	92.3	83%	0.832	53%	0.532	S	S	*	.	S	Bend	trans	49.5	135.8	153.3	-57.5	0	0	0	0	122.4	K175 G179	K175-S177 PolarHBondContact O-N 2.99Å; K175-S177 VanDerWaalsContact O-N 3.16Å; S177-G179 VanDerWaalsContact C-N 3.31Å; S177-G179 PolarHBondContact O-N 2.86Å
178	G	42.7	Very low	60	Low	89 Å²	89	93.7 Å²	93.7	92%	0.918	54%	0.539	S	S	*	.	S	Bend	trans	81	-37.4	148.4	0	0	0	0	0	118	V180	G178-V180 PolarHBondContact O-N 2.93Å
179	G	38.9	Very low	60.7	Low	67 Å²	67	97.2 Å²	97.2	69%	0.691	56%	0.555	S	S	*	*			trans	-96.7	86.4	-177.3	0	0	0	0	0	113.5	S177 K181	S177-G179 VanDerWaalsContact C-N 3.31Å; S177-G179 PolarHBondContact O-N 2.86Å; G179-K181 VanDerWaalsContact C-N 3.34Å; G179-K181 PolarHBondContact O-N 3.3Å
180	V	48.8	Very low	61.6	Low	134 Å²	134	95.8 Å²	95.8	81%	0.812	55%	0.55	S	S	*	.			trans	-63.9	98	166.9	-177.8	0	0	0	0	108.2	G178 E182	G178-V180 PolarHBondContact O-N 2.93Å; V180-E182 PolarHBondContact O-N 3.18Å
181	K	52.6	Low	61.9	Low	169 Å²	169	96.2 Å²	96.2	74%	0.735	56%	0.558	S	S	*	*			trans	-61.9	93.6	162.9	-90.1	178.4	179.8	160.2	0	106.9	G179 K183 Y195	G179-K181 VanDerWaalsContact C-N 3.34Å; G179-K181 PolarHBondContact O-N 3.3Å; K181-K183 PolarHBondContact O-N 2.93Å; K181-K183 VanDerWaalsContact O-N 3.12Å; K181-Y195 HydrophobicContact CB-CE1 4.1Å; K181-Y195 WeakPolarHBondContact O-CE1 3.28Å
182	E	56.5	Low	62.6	Low	97 Å²	97	100.7 Å²	100.7	45%	0.453	57%	0.566	S	S	.	*			trans	-57.3	124.2	-170.4	-161.3	-155.8	175.4	0	0	109.4	V180 K184 R193	V180-E182 PolarHBondContact O-N 3.18Å; E182-K184 HydrophobicContact CB-CG 4.19Å; E182-K184 VanDerWaalsContact O-CG 3.24Å; E182-K184 WeakPolarHBondContact O-CG 3.48Å; E182-K184 PolarHBondContact O-N 3.35Å; E182-K184 WeakPolarHBondContact OE2-CE 3.29Å; E182-K184 IonicContact OE2-NZ 3.02Å; E182-R193 IonicContact OE1-CZ 3.72Å; E182-R193 IonicContact OE1-NH1 3.97Å; E182-R193 IonicContact OE1-NH2 2.59Å; E182-R193 PolarHBondContact OE1-NH2 2.99Å
183	K	65.3	Low	63.5	Low	90 Å²	90	104 Å²	104	39%	0.391	58%	0.577	S	S	.	*			trans	-75.8	78.3	176.6	-71.9	163.1	167.8	-179.9	0	107.5	K181 H185 R193 F194 Y195	K181-K183 PolarHBondContact O-N 2.93Å; K181-K183 VanDerWaalsContact O-N 3.12Å; K183-H185 PolarHBondContact O-N 3.45Å; K183-R193 HydrophobicContact CB-CB 3.38Å; K183-R193 HydrophobicContact CD-CB 4.13Å; K183-R193 WeakPolarHBondContact CD-O 3.22Å; K183-R193 HydrophobicContact CG-CB 4.37Å; K183-R193 PolarHBondContact O-NE 3.25Å; K183-R193 PolarHBondContact O-NH2 2.63Å; K183-R193 VanDerWaalsContact O-NH2 3.13Å; K183-F194 CarbonylContact C-O 3.59Å; K183-F194 WeakPolarHBondContact CA-O 3.44Å; K183-Y195 HydrophobicContact CD-CE1 4.4Å; K183-Y195 WeakPolarHBondContact CE-OH 3.4Å; K183-Y195 HydrophobicContact CG-CD1 3.81Å; K183-Y195 HydrophobicContact CG-CE1 3.47Å; K183-Y195 VanDerWaalsContact CG-CE1 3.47Å
184	K	73.4	Confident	64.7	Low	144 Å²	144	102.1 Å²	102.1	63%	0.626	55%	0.553	S	S	*	*			trans	-63.9	-3.6	-167.4	-58.6	-148.5	171.2	-158.1	0	115.5	E182 F194	E182-K184 HydrophobicContact CB-CG 4.19Å; E182-K184 VanDerWaalsContact O-CG 3.24Å; E182-K184 WeakPolarHBondContact O-CG 3.48Å; E182-K184 PolarHBondContact O-N 3.35Å; E182-K184 WeakPolarHBondContact OE2-CE 3.29Å; E182-K184 IonicContact OE2-NZ 3.02Å; K184-F194 PolarHBondContact N-O 3.26Å
185	H	77.6	Confident	65.9	Low	53 Å²	53	106 Å²	106	25%	0.245	55%	0.549	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	99.6	-177	-51	-53.3	0	0	0	109.9	K183 F194 T196 R197 V200	K183-H185 PolarHBondContact O-N 3.45Å; H185-F194 PolarHBondContact N-O 3.47Å; H185-F194 PolarHBondContact O-N 2.9Å; H185-T196 VanDerWaalsContact CD2-CA 3.45Å; H185-T196 WeakPolarHBondContact CD2-CA 3.49Å; H185-R197 HydrophobicContact CB-CG 4.46Å; H185-R197 PolarHBondContact CD2-N 3.21Å; H185-V200 HydrophobicContact CB-CG2 3.52Å; H185-V200 WeakPolarHBondContact O-CG2 3.38Å
186	Q	82.6	Confident	67.1	Low	105 Å²	105	99.8 Å²	99.8	49%	0.491	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	164.8	172.2	-169	158.9	-19.8	0	0	110.7	R193	Q186-R193 HydrophobicContact CB-CG 4.13Å; Q186-R193 HydrophobicContact CG-CG 4.08Å
187	C	82.8	Confident	68.8	Low	4 Å²	4	105.5 Å²	105.5	3%	0.027	54%	0.537	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	137.2	168.1	-177.3	0	0	0	0	109.4	H189 C190 R192 V200 M204 H207	C187-H189 PolarHBondContact O-N 3.31Å; C187-C190 WeakPolarHBondContact CB-O 3.38Å; C187-R192 PolarHBondContact N-O 3.18Å; C187-R192 VanDerWaalsContact N-O 3.12Å; C187-V200 HydrophobicContact CB-CG1 4.45Å; C187-M204 PolarHBondContact SG-SD 3.02Å; C187-H207 PolarHBondContact SG-CD2 3.49Å; C187-H207 PolarHBondContact SG-NE2 2.98Å
188	E	82.9	Confident	70.5	Confident	167 Å²	167	108 Å²	108	78%	0.78	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-5.3	-179.4	-70.1	145.7	-156.3	0	0	113.5
189	H	80.4	Confident	72.3	Confident	105 Å²	105	105.4 Å²	105.4	49%	0.486	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	1.4	-178.1	-52.3	-37.4	0	0	0	114	C187 M204 H207	C187-H189 PolarHBondContact O-N 3.31Å; H189-M204 VanDerWaalsContact CD2-CE 3.45Å; H189-M204 WeakPolarHBondContact CD2-CE 3.47Å; H189-M204 WeakPolarHBondContact NE2-CE 3.18Å; H189-H207 VanDerWaalsContact C-CE1 3.45Å; H189-H207 HydrophobicContact CB-CB 4.2Å; H189-H207 AromaticContact CD2-CG 3.97Å; H189-H207 PolarHBondContact O-CE1 3.12Å
190	C	81.9	Confident	74.1	Confident	31 Å²	31	103 Å²	103	21%	0.209	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	166.6	165.8	66.8	0	0	0	0	112.5	C187 R192 H203 H207	C187-C190 WeakPolarHBondContact CB-O 3.38Å; C190-R192 PolarHBondContact O-N 3.22Å; C190-H203 PolarHBondContact SG-NE2 3.37Å; C190-H207 WeakPolarHBondContact CB-CE1 3.18Å; C190-H207 PolarHBondContact SG-CE1 2.83Å; C190-H207 PolarHBondContact SG-NE2 2.87Å
191	D	77.4	Confident	75.5	Confident	141 Å²	141	106 Å²	106	75%	0.754	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	7.4	-175	-44.4	-70	0	0	0	115.2	R193	D191-R193 PolarHBondContact O-N 2.94Å; D191-R193 VanDerWaalsContact O-N 3.08Å
192	R	74.2	Confident	76.7	Confident	153 Å²	153	103 Å²	103	58%	0.577	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	107.2	177.6	-72.2	-175.9	165.5	159.9	-0.1	110.4	C187 C190 F194	C187-R192 PolarHBondContact N-O 3.18Å; C187-R192 VanDerWaalsContact N-O 3.12Å; C190-R192 PolarHBondContact O-N 3.22Å; R192-F194 HydrophobicContact CB-CE2 3.57Å; R192-F194 HydrophobicContact CB-CZ 3.94Å; R192-F194 VanDerWaalsContact O-CD2 3.24Å; R192-F194 WeakPolarHBondContact O-CD2 3.5Å; R192-F194 WeakPolarHBondContact O-CE2 3.33Å
193	R	73.8	Confident	77.8	Confident	103 Å²	103	98.9 Å²	98.9	39%	0.389	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	141.4	171.8	-56.9	-177.6	62.9	171.3	5.9	111.7	E182 K183 Q186 D191	E182-R193 IonicContact OE1-CZ 3.72Å; E182-R193 IonicContact OE1-NH1 3.97Å; E182-R193 IonicContact OE1-NH2 2.59Å; E182-R193 PolarHBondContact OE1-NH2 2.99Å; K183-R193 HydrophobicContact CB-CB 3.38Å; K183-R193 HydrophobicContact CD-CB 4.13Å; K183-R193 WeakPolarHBondContact CD-O 3.22Å; K183-R193 HydrophobicContact CG-CB 4.37Å; K183-R193 PolarHBondContact O-NE 3.25Å; K183-R193 PolarHBondContact O-NH2 2.63Å; K183-R193 VanDerWaalsContact O-NH2 3.13Å; Q186-R193 HydrophobicContact CB-CG 4.13Å; Q186-R193 HydrophobicContact CG-CG 4.08Å; D191-R193 PolarHBondContact O-N 2.94Å; D191-R193 VanDerWaalsContact O-N 3.08Å
194	F	81	Confident	78.3	Confident	45 Å²	45	96.3 Å²	96.3	20%	0.197	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	160.8	-175.7	-63.8	-95.3	0	0	0	113	K183 K184 H185 R192 D199 V200 H203	K183-F194 CarbonylContact C-O 3.59Å; K183-F194 WeakPolarHBondContact CA-O 3.44Å; K184-F194 PolarHBondContact N-O 3.26Å; H185-F194 PolarHBondContact N-O 3.47Å; H185-F194 PolarHBondContact O-N 2.9Å; R192-F194 HydrophobicContact CB-CE2 3.57Å; R192-F194 HydrophobicContact CB-CZ 3.94Å; R192-F194 VanDerWaalsContact O-CD2 3.24Å; R192-F194 WeakPolarHBondContact O-CD2 3.5Å; R192-F194 WeakPolarHBondContact O-CE2 3.33Å; F194-D199 HydrophobicContact CB-CB 4.08Å; F194-D199 HydrophobicContact CD1-CB 3.76Å; F194-D199 HydrophobicContact CG-CB 4.22Å; F194-V200 HydrophobicContact CB-CG2 3.83Å; F194-V200 HydrophobicContact CD2-CG2 3.8Å; F194-V200 HydrophobicContact CG-CG2 4.05Å; F194-H203 HydrophobicContact CE1-CB 4.06Å; F194-H203 HydrophobicContact CE2-CB 4.01Å; F194-H203 AromaticContact CE2-CD2 3.29Å; F194-H203 WeakPolarHBondContact CE2-CD2 3.47Å; F194-H203 AromaticContact CE2-CG 3.86Å; F194-H203 HydrophobicContact CZ-CB 3.52Å; F194-H203 AromaticContact CZ-CD2 3.31Å; F194-H203 WeakPolarHBondContact CZ-CD2 3.42Å; F194-H203 AromaticContact CZ-CG 3.44Å; F194-H203 VanDerWaalsContact CZ-CG 3.44Å
195	Y	77.8	Confident	78.5	Confident	145 Å²	145	91 Å²	91	57%	0.569	40%	0.401	S	S	*	.	S	Bend	trans	-83	-22.1	-179.6	-57.8	-65.4	0	0	0	114.4	K181 K183	K181-Y195 HydrophobicContact CB-CE1 4.1Å; K181-Y195 WeakPolarHBondContact O-CE1 3.28Å; K183-Y195 HydrophobicContact CD-CE1 4.4Å; K183-Y195 WeakPolarHBondContact CE-OH 3.4Å; K183-Y195 HydrophobicContact CG-CD1 3.81Å; K183-Y195 HydrophobicContact CG-CE1 3.47Å; K183-Y195 VanDerWaalsContact CG-CE1 3.47Å
196	T	78.6	Confident	78.4	Confident	57 Å²	57	92.6 Å²	92.6	35%	0.35	41%	0.414	S	S	.	.	S	Bend	trans	-137.8	149.8	174.3	85.8	0	0	0	0	112.1	H185 K198 D199 V200	H185-T196 VanDerWaalsContact CD2-CA 3.45Å; H185-T196 WeakPolarHBondContact CD2-CA 3.49Å; T196-K198 PolarHBondContact O-N 2.87Å; T196-K198 VanDerWaalsContact O-N 3.14Å; T196-K198 PolarHBondContact OG1-N 3.45Å; T196-D199 WeakPolarHBondContact CB-OD2 3.45Å; T196-D199 WeakPolarHBondContact CG2-OD2 3.29Å; T196-D199 PolarHBondContact N-OD2 3.36Å; T196-D199 PolarHBondContact O-N 3.02Å; T196-D199 VanDerWaalsContact OG1-CG 3.26Å; T196-D199 PolarHBondContact OG1-N 3.09Å; T196-D199 PolarHBondContact OG1-OD2 3.28Å; T196-V200 PolarHBondContact O-N 3.17Å
197	R	73.6	Confident	78.1	Confident	198 Å²	198	91.4 Å²	91.4	75%	0.747	41%	0.408	S	S	*	.	H	α-helix	trans	-56.9	-25.3	171.8	-70.9	-174	172.2	171.7	-3.9	113	H185 D199 R201	H185-R197 HydrophobicContact CB-CG 4.46Å; H185-R197 PolarHBondContact CD2-N 3.21Å; R197-D199 VanDerWaalsContact C-N 3.35Å; R197-R201 PolarHBondContact O-N 3.46Å; R197-R201 VanDerWaalsContact O-N 3.09Å
198	K	77.6	Confident	77.7	Confident	170 Å²	170	94.6 Å²	94.6	74%	0.739	43%	0.427	S	S	*	.	H	α-helix	trans	-69.7	-33.4	175.2	-66.3	-176.7	178.3	179.9	0	111.9	T196 R202	T196-K198 PolarHBondContact O-N 2.87Å; T196-K198 VanDerWaalsContact O-N 3.14Å; T196-K198 PolarHBondContact OG1-N 3.45Å; K198-R202 WeakPolarHBondContact O-CB 3.49Å; K198-R202 PolarHBondContact O-N 3.23Å
199	D	80.4	Confident	77	Confident	36 Å²	36	89 Å²	89	19%	0.193	41%	0.414	C	S	.	.	H	α-helix	trans	-75.5	-37.7	178.7	-54.7	-55.3	0	0	0	111.4	F194 T196 R197 R202 H203	F194-D199 HydrophobicContact CB-CB 4.08Å; F194-D199 HydrophobicContact CD1-CB 3.76Å; F194-D199 HydrophobicContact CG-CB 4.22Å; T196-D199 WeakPolarHBondContact CB-OD2 3.45Å; T196-D199 WeakPolarHBondContact CG2-OD2 3.29Å; T196-D199 PolarHBondContact N-OD2 3.36Å; T196-D199 PolarHBondContact O-N 3.02Å; T196-D199 VanDerWaalsContact OG1-CG 3.26Å; T196-D199 PolarHBondContact OG1-N 3.09Å; T196-D199 PolarHBondContact OG1-OD2 3.28Å; R197-D199 VanDerWaalsContact C-N 3.35Å; D199-R202 CarbonylContact O-C 3.54Å; D199-R202 PolarHBondContact O-N 3.31Å; D199-R202 IonicContact OD1-CZ 2.72Å; D199-R202 IonicContact OD1-NH1 3.76Å; D199-R202 PolarHBondContact OD1-NH1 2.85Å; D199-R202 IonicContact OD1-NH2 3.91Å; D199-R202 PolarHBondContact OD1-NH2 3.34Å; D199-H203 WeakPolarHBondContact O-CB 3.36Å; D199-H203 PolarHBondContact O-N 2.63Å
200	V	78.1	Confident	76.3	Confident	15 Å²	15	92.2 Å²	92.2	9%	0.091	42%	0.422	C	S	.	.	H	α-helix	trans	-56.9	-51	167.8	-174.8	0	0	0	0	110.1	H185 C187 F194 T196 R202 H203 M204	H185-V200 HydrophobicContact CB-CG2 3.52Å; H185-V200 WeakPolarHBondContact O-CG2 3.38Å; C187-V200 HydrophobicContact CB-CG1 4.45Å; F194-V200 HydrophobicContact CB-CG2 3.83Å; F194-V200 HydrophobicContact CD2-CG2 3.8Å; F194-V200 HydrophobicContact CG-CG2 4.05Å; T196-V200 PolarHBondContact O-N 3.17Å; V200-R202 VanDerWaalsContact C-N 3.28Å; V200-R202 PolarHBondContact O-N 2.85Å; V200-H203 CarbonylContact O-C 3.58Å; V200-H203 VanDerWaalsContact O-CA 3.32Å; V200-H203 WeakPolarHBondContact O-CA 3.2Å; V200-H203 WeakPolarHBondContact O-CB 3.41Å; V200-H203 PolarHBondContact O-N 2.87Å; V200-M204 HydrophobicContact CG1-CG 4.48Å; V200-M204 HydrophobicContact CG1-SD 4.08Å; V200-M204 WeakPolarHBondContact O-CG 3.4Å; V200-M204 PolarHBondContact O-N 2.76Å
201	R	77.3	Confident	75.9	Confident	199 Å²	199	96.4 Å²	96.4	75%	0.751	44%	0.437	S	S	*	.	H	α-helix	trans	-58	-37.9	177.7	-167	-179.2	-65.9	-179.5	-3.2	112.7	R197 H203 M204	R197-R201 PolarHBondContact O-N 3.46Å; R197-R201 VanDerWaalsContact O-N 3.09Å; R201-H203 PolarHBondContact O-N 3.42Å; R201-M204 PolarHBondContact O-N 3Å
202	R	78.4	Confident	75.8	Confident	106 Å²	106	95 Å²	95	40%	0.4	43%	0.43	S	S	.	.	H	α-helix	trans	-72.6	-14.2	174	-152.3	-159.3	-59.9	100.8	4.7	113.6	K198 D199 V200 R224	K198-R202 WeakPolarHBondContact O-CB 3.49Å; K198-R202 PolarHBondContact O-N 3.23Å; D199-R202 CarbonylContact O-C 3.54Å; D199-R202 PolarHBondContact O-N 3.31Å; D199-R202 IonicContact OD1-CZ 2.72Å; D199-R202 IonicContact OD1-NH1 3.76Å; D199-R202 PolarHBondContact OD1-NH1 2.85Å; D199-R202 IonicContact OD1-NH2 3.91Å; D199-R202 PolarHBondContact OD1-NH2 3.34Å; V200-R202 VanDerWaalsContact C-N 3.28Å; V200-R202 PolarHBondContact O-N 2.85Å; R202-R224 HydrophobicContact CG-CG 4.3Å; R202-R224 PolarHBondContact O-NE 2.95Å; R202-R224 PolarHBondContact O-NH2 2.9Å
203	H	80	Confident	76	Confident	9 Å²	9	91.3 Å²	91.3	4%	0.042	42%	0.418	C	S	.	.	H	α-helix	trans	-92.4	-34.7	173	175	33.1	0	0	0	112.7	C190 F194 D199 V200 R201 V205 V206 H207	C190-H203 PolarHBondContact SG-NE2 3.37Å; F194-H203 HydrophobicContact CE1-CB 4.06Å; F194-H203 HydrophobicContact CE2-CB 4.01Å; F194-H203 AromaticContact CE2-CD2 3.29Å; F194-H203 WeakPolarHBondContact CE2-CD2 3.47Å; F194-H203 AromaticContact CE2-CG 3.86Å; F194-H203 HydrophobicContact CZ-CB 3.52Å; F194-H203 AromaticContact CZ-CD2 3.31Å; F194-H203 WeakPolarHBondContact CZ-CD2 3.42Å; F194-H203 AromaticContact CZ-CG 3.44Å; F194-H203 VanDerWaalsContact CZ-CG 3.44Å; D199-H203 WeakPolarHBondContact O-CB 3.36Å; D199-H203 PolarHBondContact O-N 2.63Å; V200-H203 CarbonylContact O-C 3.58Å; V200-H203 VanDerWaalsContact O-CA 3.32Å; V200-H203 WeakPolarHBondContact O-CA 3.2Å; V200-H203 WeakPolarHBondContact O-CB 3.41Å; V200-H203 PolarHBondContact O-N 2.87Å; R201-H203 PolarHBondContact O-N 3.42Å; H203-V205 PolarHBondContact O-N 3.11Å; H203-V206 VanDerWaalsContact O-CB 3.28Å; H203-V206 WeakPolarHBondContact O-CB 3.33Å; H203-V206 WeakPolarHBondContact O-CG2 3.32Å; H203-V206 PolarHBondContact O-N 3.01Å; H203-H207 AromaticContact CD2-NE2 3.57Å; H203-H207 AromaticContact CE1-CD2 3.96Å; H203-H207 AromaticContact CE1-NE2 3.25Å; H203-H207 PolarHBondContact CE1-NE2 3.15Å; H203-H207 VanDerWaalsContact CE1-NE2 3.25Å; H203-H207 AromaticContact NE2-CD2 3.96Å; H203-H207 AromaticContact NE2-NE2 2.7Å; H203-H207 PolarHBondContact NE2-NE2 3.31Å
204	M	74.1	Confident	76.4	Confident	37 Å²	37	91 Å²	91	18%	0.182	42%	0.423	C	S	.	.	H	α-helix	trans	-51.3	-30.6	179.8	-61.3	-53	-80.6	0	0	113.3	C187 H189 V200 R201 V206 H207 T208	C187-M204 PolarHBondContact SG-SD 3.02Å; H189-M204 VanDerWaalsContact CD2-CE 3.45Å; H189-M204 WeakPolarHBondContact CD2-CE 3.47Å; H189-M204 WeakPolarHBondContact NE2-CE 3.18Å; V200-M204 HydrophobicContact CG1-CG 4.48Å; V200-M204 HydrophobicContact CG1-SD 4.08Å; V200-M204 WeakPolarHBondContact O-CG 3.4Å; V200-M204 PolarHBondContact O-N 2.76Å; R201-M204 PolarHBondContact O-N 3Å; M204-V206 PolarHBondContact O-N 2.85Å; M204-V206 VanDerWaalsContact O-N 3.08Å; M204-H207 WeakPolarHBondContact O-CA 3.42Å; M204-H207 PolarHBondContact O-N 3.43Å; M204-T208 PolarHBondContact O-N 3.14Å; M204-T208 PolarHBondContact O-OG1 3.45Å
205	V	78.3	Confident	76.5	Confident	33 Å²	33	89.3 Å²	89.3	20%	0.2	42%	0.417	C	S	.	.	H	α-helix	trans	-46	-31.4	168.6	174.3	0	0	0	0	114.5	H203 G209 G223	H203-V205 PolarHBondContact O-N 3.11Å; V205-G209 PolarHBondContact O-N 2.95Å; V205-G223 VanDerWaalsContact CG1-CA 3.48Å; V205-G223 WeakPolarHBondContact CG1-O 3.42Å
206	V	74.8	Confident	76.5	Confident	85 Å²	85	90.6 Å²	90.6	52%	0.515	43%	0.429	S	S	.	.	H	α-helix	trans	-71.4	-32.4	177.3	178	0	0	0	0	111.5	H203 M204	H203-V206 VanDerWaalsContact O-CB 3.28Å; H203-V206 WeakPolarHBondContact O-CB 3.33Å; H203-V206 WeakPolarHBondContact O-CG2 3.32Å; H203-V206 PolarHBondContact O-N 3.01Å; M204-V206 PolarHBondContact O-N 2.85Å; M204-V206 VanDerWaalsContact O-N 3.08Å
207	H	76.5	Confident	76.4	Confident	80 Å²	80	91.6 Å²	91.6	37%	0.37	43%	0.426	S	S	.	.	H	α-helix	trans	-93.2	-40.8	-177.6	-62.1	-67.2	0	0	0	112.2	C187 H189 C190 H203 M204 G209	C187-H207 PolarHBondContact SG-CD2 3.49Å; C187-H207 PolarHBondContact SG-NE2 2.98Å; H189-H207 VanDerWaalsContact C-CE1 3.45Å; H189-H207 HydrophobicContact CB-CB 4.2Å; H189-H207 AromaticContact CD2-CG 3.97Å; H189-H207 PolarHBondContact O-CE1 3.12Å; C190-H207 WeakPolarHBondContact CB-CE1 3.18Å; C190-H207 PolarHBondContact SG-CE1 2.83Å; C190-H207 PolarHBondContact SG-NE2 2.87Å; H203-H207 AromaticContact CD2-NE2 3.57Å; H203-H207 AromaticContact CE1-CD2 3.96Å; H203-H207 AromaticContact CE1-NE2 3.25Å; H203-H207 PolarHBondContact CE1-NE2 3.15Å; H203-H207 VanDerWaalsContact CE1-NE2 3.25Å; H203-H207 AromaticContact NE2-CD2 3.96Å; H203-H207 AromaticContact NE2-NE2 2.7Å; H203-H207 PolarHBondContact NE2-NE2 3.31Å; M204-H207 WeakPolarHBondContact O-CA 3.42Å; M204-H207 PolarHBondContact O-N 3.43Å; H207-G209 VanDerWaalsContact C-N 3.3Å; H207-G209 PolarHBondContact O-N 3.12Å
208	T	74.9	Confident	76.7	Confident	71 Å²	71	83.9 Å²	83.9	44%	0.436	40%	0.402	S	S	.	.	H	α-helix	trans	-79.5	-12.4	-179.9	63.7	0	0	0	0	113.4	M204 R210	M204-T208 PolarHBondContact O-N 3.14Å; M204-T208 PolarHBondContact O-OG1 3.45Å; T208-R210 PolarHBondContact O-N 2.87Å
209	G	67.6	Low	76.7	Confident	49 Å²	49	80.8 Å²	80.8	51%	0.505	41%	0.408	S	S	.	.			trans	63.4	-1.4	-175.5	0	0	0	0	0	115.2	V205 H207 K211	V205-G209 PolarHBondContact O-N 2.95Å; H207-G209 VanDerWaalsContact C-N 3.3Å; H207-G209 PolarHBondContact O-N 3.12Å; G209-K211 PolarHBondContact O-N 3.23Å; G209-K211 VanDerWaalsContact O-N 3.12Å
210	R	67.1	Low	76.6	Confident	173 Å²	173	84 Å²	84	65%	0.653	42%	0.422	S	S	*	.			trans	-68	110.1	-170.4	-70.5	-170.8	-175.7	-171.7	1.4	111	T208	T208-R210 PolarHBondContact O-N 2.87Å
211	K	73	Confident	76.6	Confident	120 Å²	120	91 Å²	91	52%	0.522	45%	0.447	S	S	.	.			trans	-104.3	66.8	-179.1	-72.6	167.9	169	-174.5	0	109.9	G209 F213 R221 F222	G209-K211 PolarHBondContact O-N 3.23Å; G209-K211 VanDerWaalsContact O-N 3.12Å; K211-F213 PolarHBondContact O-N 2.82Å; K211-F213 VanDerWaalsContact O-N 3.17Å; K211-R221 HydrophobicContact CB-CB 3.57Å; K211-R221 HydrophobicContact CD-CB 4.07Å; K211-R221 WeakPolarHBondContact CD-O 3.38Å; K211-R221 HydrophobicContact CG-CB 4.41Å; K211-F222 CarbonylContact C-O 3.58Å; K211-F222 VanDerWaalsContact C-O 3.23Å; K211-F222 WeakPolarHBondContact CA-O 3.33Å
212	D	75.7	Confident	76.6	Confident	112 Å²	112	83.1 Å²	83.1	60%	0.599	42%	0.418	S	S	*	.			trans	-65.7	-15.8	-171.4	-50	-32.1	0	0	0	114	F222	D212-F222 PolarHBondContact N-O 3.44Å
213	F	78.1	Confident	76.4	Confident	74 Å²	74	78.8 Å²	78.8	33%	0.325	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	95	-176.7	-57.3	-81.9	0	0	0	110.4	K211 F222 R224 K225 L228	K211-F213 PolarHBondContact O-N 2.82Å; K211-F213 VanDerWaalsContact O-N 3.17Å; F213-F222 HydrophobicContact CB-CB 4.21Å; F213-F222 WeakPolarHBondContact CB-O 3.41Å; F213-F222 PolarHBondContact N-O 3.1Å; F213-F222 PolarHBondContact O-N 3.44Å; F213-R224 VanDerWaalsContact CD2-C 3.48Å; F213-K225 HydrophobicContact CD1-CB 3.83Å; F213-K225 HydrophobicContact CD1-CG 4.24Å; F213-K225 HydrophobicContact CE1-CB 3.7Å; F213-K225 HydrophobicContact CE1-CD 4.33Å; F213-K225 HydrophobicContact CE1-CG 4.28Å; F213-K225 HydrophobicContact CG-CB 4.4Å; F213-K225 HydrophobicContact CZ-CB 4.16Å; F213-L228 HydrophobicContact CB-CB 4.21Å; F213-L228 HydrophobicContact CB-CD2 3.88Å
214	L	81.3	Confident	76.2	Confident	96 Å²	96	81.7 Å²	81.7	50%	0.503	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	141.4	175.2	-54.7	-178.1	0	0	0	111.4	R221 L228	L214-R221 HydrophobicContact CD2-CB 4.08Å; L214-R221 HydrophobicContact CD2-CG 3.51Å; L214-L228 VanDerWaalsContact O-CD2 3.24Å; L214-L228 WeakPolarHBondContact O-CD2 3.43Å
215	C	82.8	Confident	76.2	Confident	11 Å²	11	86.2 Å²	86.2	7%	0.074	44%	0.436	C	S	.	.			trans	-71.7	133.6	160.7	174.6	0	0	0	0	109.3	C218 Q220 F222 L228	C215-C218 CarbonylContact C-O 3.6Å; C215-C218 HydrophobicContact CB-CB 4.26Å; C215-C218 WeakPolarHBondContact CB-O 3.39Å; C215-C218 WeakPolarHBondContact CB-SG 3.47Å; C215-C218 VanDerWaalsContact SG-CA 3.58Å; C215-C218 WeakPolarHBondContact SG-CB 3.46Å; C215-C218 PolarHBondContact SG-N 2.85Å; C215-C218 CovalentContact SG-SG 2.05Å; C215-C218 PolarHBondContact SG-SG 3.28Å; C215-Q220 HydrophobicContact CB-CB 4.41Å; C215-Q220 VanDerWaalsContact CB-O 3.26Å; C215-Q220 WeakPolarHBondContact CB-O 3.44Å; C215-Q220 PolarHBondContact N-O 2.91Å; C215-F222 HydrophobicContact CB-CE2 4.33Å; C215-L228 HydrophobicContact CB-CD1 4.03Å
216	Q	77.6	Confident	76.2	Confident	172 Å²	172	89.3 Å²	89.3	80%	0.804	45%	0.451	S	S	*	.	S	Bend	trans	-79.9	-30.5	178.5	-172.5	172	1.1	0	0	112
217	Y	76.4	Confident	76.3	Confident	78 Å²	78	89.6 Å²	89.6	31%	0.306	45%	0.447	S	S	.	.	S	Bend	trans	-95.7	3.2	-176.7	-52.1	-76	0	0	0	113.4	M232 H236 E239	Y217-M232 HydrophobicContact CD2-CG 4.32Å; Y217-M232 HydrophobicContact CE2-CG 4.23Å; Y217-M232 HydrophobicContact CE2-SD 4.21Å; Y217-H236 VanDerWaalsContact CB-ND1 3.33Å; Y217-H236 WeakPolarHBondContact CB-ND1 3.44Å; Y217-H236 HydrophobicContact CD2-CB 3.86Å; Y217-H236 AromaticContact CD2-CG 3.96Å; Y217-H236 HydrophobicContact CG-CB 4.26Å; Y217-H236 PolarHBondContact O-CE1 3.03Å; Y217-E239 HydrophobicContact CD1-CB 4Å; Y217-E239 HydrophobicContact CD1-CG 4.17Å; Y217-E239 HydrophobicContact CE1-CB 3.74Å; Y217-E239 HydrophobicContact CE1-CG 4.35Å
218	C	81.8	Confident	76.5	Confident	35 Å²	35	87 Å²	87	24%	0.236	44%	0.435	C	S	.	.	S	Bend	trans	-165.8	154.8	-172.5	73.8	0	0	0	0	112.2	C215 Q220 H231 H236	C215-C218 CarbonylContact C-O 3.6Å; C215-C218 HydrophobicContact CB-CB 4.26Å; C215-C218 WeakPolarHBondContact CB-O 3.39Å; C215-C218 WeakPolarHBondContact CB-SG 3.47Å; C215-C218 VanDerWaalsContact SG-CA 3.58Å; C215-C218 WeakPolarHBondContact SG-CB 3.46Å; C215-C218 PolarHBondContact SG-N 2.85Å; C215-C218 CovalentContact SG-SG 2.05Å; C215-C218 PolarHBondContact SG-SG 3.28Å; C218-Q220 PolarHBondContact O-N 3.13Å; C218-H231 PolarHBondContact SG-NE2 2.82Å; C218-H236 PolarHBondContact SG-NE2 2.98Å
219	A	76.3	Confident	76.7	Confident	105 Å²	105	86.6 Å²	86.6	87%	0.868	43%	0.433	S	S	*	.	S	Bend	trans	-71.7	5.6	-179.6	0	0	0	0	0	115.2	R221	A219-R221 PolarHBondContact O-N 3.1Å
220	Q	78.5	Confident	77.4	Confident	105 Å²	105	91.1 Å²	91.1	49%	0.491	44%	0.435	S	S	.	.			trans	-73.7	126	-176.3	-61.6	-162.4	9.8	0	0	112.1	C215 C218 F222 H231	C215-Q220 HydrophobicContact CB-CB 4.41Å; C215-Q220 VanDerWaalsContact CB-O 3.26Å; C215-Q220 WeakPolarHBondContact CB-O 3.44Å; C215-Q220 PolarHBondContact N-O 2.91Å; C218-Q220 PolarHBondContact O-N 3.13Å; Q220-F222 HydrophobicContact CB-CE2 3.66Å; Q220-F222 HydrophobicContact CB-CZ 3.86Å; Q220-H231 PolarHBondContact OE1-CE1 3.39Å
221	R	79.1	Confident	78.1	Confident	160 Å²	160	84 Å²	84	60%	0.604	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.2	177.6	-47.6	-161.6	173.8	-149.3	0.8	111.1	K211 L214 A219	K211-R221 HydrophobicContact CB-CB 3.57Å; K211-R221 HydrophobicContact CD-CB 4.07Å; K211-R221 WeakPolarHBondContact CD-O 3.38Å; K211-R221 HydrophobicContact CG-CB 4.41Å; L214-R221 HydrophobicContact CD2-CB 4.08Å; L214-R221 HydrophobicContact CD2-CG 3.51Å; A219-R221 PolarHBondContact O-N 3.1Å
222	F	76.6	Confident	78.5	Confident	35 Å²	35	80.7 Å²	80.7	15%	0.154	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	141.7	-178.3	-62.2	-87	0	0	0	112	K211 D212 F213 C215 Q220 R224 H227 L228 H231	K211-F222 CarbonylContact C-O 3.58Å; K211-F222 VanDerWaalsContact C-O 3.23Å; K211-F222 WeakPolarHBondContact CA-O 3.33Å; D212-F222 PolarHBondContact N-O 3.44Å; F213-F222 HydrophobicContact CB-CB 4.21Å; F213-F222 WeakPolarHBondContact CB-O 3.41Å; F213-F222 PolarHBondContact N-O 3.1Å; F213-F222 PolarHBondContact O-N 3.44Å; C215-F222 HydrophobicContact CB-CE2 4.33Å; Q220-F222 HydrophobicContact CB-CE2 3.66Å; Q220-F222 HydrophobicContact CB-CZ 3.86Å; F222-R224 VanDerWaalsContact C-N 3.29Å; F222-R224 PolarHBondContact O-N 3.02Å; F222-H227 HydrophobicContact CD1-CB 3.95Å; F222-L228 HydrophobicContact CB-CB 4.13Å; F222-L228 HydrophobicContact CD2-CB 3.92Å; F222-L228 HydrophobicContact CD2-CD1 3.83Å; F222-L228 HydrophobicContact CD2-CG 4.45Å; F222-L228 HydrophobicContact CE2-CD1 4.06Å; F222-L228 HydrophobicContact CG-CB 4.1Å; F222-H231 HydrophobicContact CE1-CB 3.93Å; F222-H231 HydrophobicContact CE2-CB 4.1Å; F222-H231 AromaticContact CE2-CD2 3.55Å; F222-H231 AromaticContact CE2-CG 3.81Å; F222-H231 HydrophobicContact CZ-CB 3.5Å; F222-H231 AromaticContact CZ-CD2 3.53Å; F222-H231 AromaticContact CZ-CG 3.29Å; F222-H231 AromaticContact CZ-ND1 3.8Å
223	G	73.6	Confident	78.7	Confident	15 Å²	15	82.3 Å²	82.3	16%	0.155	40%	0.398	C	S	.	.	S	Bend	trans	-79.8	-3.5	174.7	0	0	0	0	0	114.9	V205	V205-G223 VanDerWaalsContact CG1-CA 3.48Å; V205-G223 WeakPolarHBondContact CG1-O 3.42Å
224	R	75.9	Confident	78.8	Confident	69 Å²	69	87.5 Å²	87.5	26%	0.26	42%	0.42	S	S	.	.	S	Bend	trans	-150.6	138.5	-179.8	-54.7	179.5	-174.7	147.2	3.4	111.3	R202 F213 F222 D226 H227 L228	R202-R224 HydrophobicContact CG-CG 4.3Å; R202-R224 PolarHBondContact O-NE 2.95Å; R202-R224 PolarHBondContact O-NH2 2.9Å; F213-R224 VanDerWaalsContact CD2-C 3.48Å; F222-R224 VanDerWaalsContact C-N 3.29Å; F222-R224 PolarHBondContact O-N 3.02Å; R224-D226 PolarHBondContact O-N 3.19Å; R224-H227 PolarHBondContact NH1-NE2 3.21Å; R224-H227 PolarHBondContact O-N 3.37Å; R224-H227 VanDerWaalsContact O-N 3.08Å; R224-L228 PolarHBondContact O-N 3.18Å
225	K	74.1	Confident	78.5	Confident	133 Å²	133	86.3 Å²	86.3	58%	0.578	42%	0.42	S	S	*	.	H	α-helix	trans	-53.9	-38.3	173.6	-162.5	164.7	-175.3	167.1	0	112.7	F213 H227 L228 T229	F213-K225 HydrophobicContact CD1-CB 3.83Å; F213-K225 HydrophobicContact CD1-CG 4.24Å; F213-K225 HydrophobicContact CE1-CB 3.7Å; F213-K225 HydrophobicContact CE1-CD 4.33Å; F213-K225 HydrophobicContact CE1-CG 4.28Å; F213-K225 HydrophobicContact CG-CB 4.4Å; F213-K225 HydrophobicContact CZ-CB 4.16Å; K225-H227 PolarHBondContact O-N 2.99Å; K225-L228 PolarHBondContact O-N 3.4Å; K225-T229 HydrophobicContact CG-CG2 4.27Å; K225-T229 WeakPolarHBondContact O-CG2 3.35Å; K225-T229 PolarHBondContact O-N 2.78Å; K225-T229 PolarHBondContact O-OG1 3.12Å
226	D	77.8	Confident	78.4	Confident	97 Å²	97	87.4 Å²	87.4	52%	0.519	42%	0.424	S	S	.	.	H	α-helix	trans	-69.7	-15.1	-178.6	-42.1	-50	0	0	0	114.6	R224 R230	R224-D226 PolarHBondContact O-N 3.19Å; D226-R230 PolarHBondContact O-NH2 3.03Å
227	H	78.4	Confident	78.2	Confident	92 Å²	92	82.7 Å²	82.7	43%	0.426	40%	0.404	S	S	.	.	H	α-helix	trans	-93	-41	171.7	-66	-48.5	0	0	0	110.4	F222 R224 K225 R230 H231	F222-H227 HydrophobicContact CD1-CB 3.95Å; R224-H227 PolarHBondContact NH1-NE2 3.21Å; R224-H227 PolarHBondContact O-N 3.37Å; R224-H227 VanDerWaalsContact O-N 3.08Å; K225-H227 PolarHBondContact O-N 2.99Å; H227-R230 PolarHBondContact ND1-NH2 2.81Å; H227-R230 VanDerWaalsContact ND1-NH2 3.2Å; H227-R230 PolarHBondContact O-N 3.08Å; H227-H231 WeakPolarHBondContact O-CB 3.5Å; H227-H231 PolarHBondContact O-N 3.29Å
228	L	80.4	Confident	77.7	Confident	24 Å²	24	86 Å²	86	13%	0.126	42%	0.423	C	S	.	.	H	α-helix	trans	-57.8	-49.7	171.8	170.8	60.1	0	0	0	111.8	F213 L214 C215 F222 R224 K225 R230 H231 M232	F213-L228 HydrophobicContact CB-CB 4.21Å; F213-L228 HydrophobicContact CB-CD2 3.88Å; L214-L228 VanDerWaalsContact O-CD2 3.24Å; L214-L228 WeakPolarHBondContact O-CD2 3.43Å; C215-L228 HydrophobicContact CB-CD1 4.03Å; F222-L228 HydrophobicContact CB-CB 4.13Å; F222-L228 HydrophobicContact CD2-CB 3.92Å; F222-L228 HydrophobicContact CD2-CD1 3.83Å; F222-L228 HydrophobicContact CD2-CG 4.45Å; F222-L228 HydrophobicContact CE2-CD1 4.06Å; F222-L228 HydrophobicContact CG-CB 4.1Å; R224-L228 PolarHBondContact O-N 3.18Å; K225-L228 PolarHBondContact O-N 3.4Å; L228-R230 VanDerWaalsContact C-N 3.27Å; L228-R230 PolarHBondContact O-N 2.86Å; L228-H231 PolarHBondContact O-N 3.05Å; L228-M232 VanDerWaalsContact O-CB 3.28Å; L228-M232 WeakPolarHBondContact O-CB 3.4Å; L228-M232 PolarHBondContact O-N 2.84Å
229	T	79.5	Confident	76.8	Confident	64 Å²	64	87.2 Å²	87.2	39%	0.393	43%	0.425	S	S	.	.	H	α-helix	trans	-63.5	-33.5	-178.8	53.3	0	0	0	0	112.6	K225 K233	K225-T229 HydrophobicContact CG-CG2 4.27Å; K225-T229 WeakPolarHBondContact O-CG2 3.35Å; K225-T229 PolarHBondContact O-N 2.78Å; K225-T229 PolarHBondContact O-OG1 3.12Å; T229-K233 VanDerWaalsContact O-CB 3.29Å; T229-K233 WeakPolarHBondContact O-CB 3.18Å; T229-K233 PolarHBondContact O-N 2.79Å
230	R	81.6	Confident	76	Confident	143 Å²	143	84.9 Å²	84.9	54%	0.54	40%	0.397	S	S	.	.	H	α-helix	trans	-71.3	-42.9	174.8	-167.3	-174.7	-44.5	143.1	27	112	D226 H227 L228 K234	D226-R230 PolarHBondContact O-NH2 3.03Å; H227-R230 PolarHBondContact ND1-NH2 2.81Å; H227-R230 VanDerWaalsContact ND1-NH2 3.2Å; H227-R230 PolarHBondContact O-N 3.08Å; L228-R230 VanDerWaalsContact C-N 3.27Å; L228-R230 PolarHBondContact O-N 2.86Å; R230-K234 WeakPolarHBondContact O-CB 3.36Å; R230-K234 PolarHBondContact O-N 2.59Å
231	H	81.9	Confident	75.1	Confident	24 Å²	24	84.6 Å²	84.6	11%	0.111	40%	0.399	C	S	.	.	H	α-helix	trans	-61.4	-52.2	173.8	166.4	75.5	0	0	0	110.6	C218 Q220 F222 H227 L228 K233 K234 S235 H236	C218-H231 PolarHBondContact SG-NE2 2.82Å; Q220-H231 PolarHBondContact OE1-CE1 3.39Å; F222-H231 HydrophobicContact CE1-CB 3.93Å; F222-H231 HydrophobicContact CE2-CB 4.1Å; F222-H231 AromaticContact CE2-CD2 3.55Å; F222-H231 AromaticContact CE2-CG 3.81Å; F222-H231 HydrophobicContact CZ-CB 3.5Å; F222-H231 AromaticContact CZ-CD2 3.53Å; F222-H231 AromaticContact CZ-CG 3.29Å; F222-H231 AromaticContact CZ-ND1 3.8Å; H227-H231 WeakPolarHBondContact O-CB 3.5Å; H227-H231 PolarHBondContact O-N 3.29Å; L228-H231 PolarHBondContact O-N 3.05Å; H231-K233 VanDerWaalsContact C-N 3.32Å; H231-K233 PolarHBondContact O-N 3.37Å; H231-K234 PolarHBondContact O-N 3.44Å; H231-S235 PolarHBondContact ND1-OG 3.08Å; H231-S235 WeakPolarHBondContact O-CB 3.47Å; H231-S235 PolarHBondContact O-N 2.87Å; H231-H236 AromaticContact NE2-CD2 3.72Å; H231-H236 AromaticContact NE2-NE2 3.61Å
232	M	80	Confident	74	Confident	50 Å²	50	82.3 Å²	82.3	25%	0.246	39%	0.393	C	S	.	.	H	α-helix	trans	-55.9	-44.2	177.3	-163.4	178.6	63.5	0	0	111.7	Y217 L228 K234 H236 L240	Y217-M232 HydrophobicContact CD2-CG 4.32Å; Y217-M232 HydrophobicContact CE2-CG 4.23Å; Y217-M232 HydrophobicContact CE2-SD 4.21Å; L228-M232 VanDerWaalsContact O-CB 3.28Å; L228-M232 WeakPolarHBondContact O-CB 3.4Å; L228-M232 PolarHBondContact O-N 2.84Å; M232-K234 VanDerWaalsContact C-N 3.33Å; M232-K234 PolarHBondContact O-N 3.05Å; M232-H236 HydrophobicContact CG-CB 4.39Å; M232-H236 CarbonylContact O-C 3.18Å; M232-H236 VanDerWaalsContact O-C 3.23Å; M232-H236 WeakPolarHBondContact O-CA 3.14Å; M232-H236 PolarHBondContact O-N 3.42Å; M232-L240 HydrophobicContact CE-CD1 4.14Å; M232-L240 HydrophobicContact CE-CD2 3.78Å; M232-L240 HydrophobicContact CG-CD1 3.94Å; M232-L240 HydrophobicContact CG-CD2 4.14Å; M232-L240 HydrophobicContact CG-CG 4.15Å; M232-L240 HydrophobicContact SD-CD2 3.99Å
233	K	81.8	Confident	73	Confident	146 Å²	146	85.3 Å²	85.3	64%	0.635	41%	0.414	S	S	*	.	H	α-helix	trans	-66.3	-27.2	175.2	-174.9	171.8	179.5	-179.8	0	114	T229 H231 N237	T229-K233 VanDerWaalsContact O-CB 3.29Å; T229-K233 WeakPolarHBondContact O-CB 3.18Å; T229-K233 PolarHBondContact O-N 2.79Å; H231-K233 VanDerWaalsContact C-N 3.32Å; H231-K233 PolarHBondContact O-N 3.37Å; K233-N237 PolarHBondContact O-ND2 2.97Å
234	K	79.7	Confident	71.7	Confident	183 Å²	183	93 Å²	93	80%	0.796	44%	0.443	S	S	*	.	H	α-helix	trans	-91.5	-40.8	-179.7	-171.9	178.6	179	-176	0	113.2	R230 H231 M232	R230-K234 WeakPolarHBondContact O-CB 3.36Å; R230-K234 PolarHBondContact O-N 2.59Å; H231-K234 PolarHBondContact O-N 3.44Å; M232-K234 VanDerWaalsContact C-N 3.33Å; M232-K234 PolarHBondContact O-N 3.05Å
235	S	74.9	Confident	70.3	Confident	72 Å²	72	94.5 Å²	94.5	50%	0.503	46%	0.46	S	S	.	.	H	α-helix	trans	-101.6	-24.8	-170.6	-62.3	0	0	0	0	113.7	H231	H231-S235 PolarHBondContact ND1-OG 3.08Å; H231-S235 WeakPolarHBondContact O-CB 3.47Å; H231-S235 PolarHBondContact O-N 2.87Å
236	H	80.4	Confident	68.5	Low	33 Å²	33	94.5 Å²	94.5	15%	0.153	46%	0.462	C	S	.	.	S	Bend	trans	-124.7	36.8	-178.3	-59.7	-70.9	0	0	0	111.1	Y217 C218 H231 M232 Q238 E239 L240	Y217-H236 VanDerWaalsContact CB-ND1 3.33Å; Y217-H236 WeakPolarHBondContact CB-ND1 3.44Å; Y217-H236 HydrophobicContact CD2-CB 3.86Å; Y217-H236 AromaticContact CD2-CG 3.96Å; Y217-H236 HydrophobicContact CG-CB 4.26Å; Y217-H236 PolarHBondContact O-CE1 3.03Å; C218-H236 PolarHBondContact SG-NE2 2.98Å; H231-H236 AromaticContact NE2-CD2 3.72Å; H231-H236 AromaticContact NE2-NE2 3.61Å; M232-H236 HydrophobicContact CG-CB 4.39Å; M232-H236 CarbonylContact O-C 3.18Å; M232-H236 VanDerWaalsContact O-C 3.23Å; M232-H236 WeakPolarHBondContact O-CA 3.14Å; M232-H236 PolarHBondContact O-N 3.42Å; H236-Q238 PolarHBondContact O-N 3.37Å; H236-E239 PolarHBondContact O-N 2.83Å; H236-L240 WeakPolarHBondContact O-CG 3.27Å; H236-L240 PolarHBondContact O-N 2.94Å; H236-L240 VanDerWaalsContact O-N 3.08Å
237	N	73.6	Confident	66.7	Low	73 Å²	73	94.9 Å²	94.9	39%	0.39	47%	0.47	S	S	.	.	H	α-helix	trans	-62.8	-41.8	-176.5	-162.6	-89.1	0	0	0	112.1	K233 L240 L241	K233-N237 PolarHBondContact O-ND2 2.97Å; N237-L240 PolarHBondContact O-N 3.47Å; N237-L241 WeakPolarHBondContact O-CG 3.33Å; N237-L241 PolarHBondContact O-N 3.37Å
238	Q	65.9	Low	65	Low	149 Å²	149	96.8 Å²	96.8	70%	0.696	49%	0.488	S	S	*	.	H	α-helix	trans	-64.9	-42.4	177.7	-72	170.5	-34	0	0	112.4	H236 L240 L241 K242	H236-Q238 PolarHBondContact O-N 3.37Å; Q238-L240 VanDerWaalsContact C-N 3.34Å; Q238-L240 PolarHBondContact O-N 3.35Å; Q238-L241 WeakPolarHBondContact O-CB 3.41Å; Q238-L241 PolarHBondContact O-N 3.32Å; Q238-K242 PolarHBondContact O-N 3.26Å
239	E	61.8	Low	62.9	Low	59 Å²	59	102.9 Å²	102.9	28%	0.276	52%	0.52	S	S	.	.	H	α-helix	trans	-66.7	-35.9	176.8	-55.3	-47	114.9	0	0	112.1	Y217 H236 L241 K242 V243	Y217-E239 HydrophobicContact CD1-CB 4Å; Y217-E239 HydrophobicContact CD1-CG 4.17Å; Y217-E239 HydrophobicContact CE1-CB 3.74Å; Y217-E239 HydrophobicContact CE1-CG 4.35Å; H236-E239 PolarHBondContact O-N 2.83Å; E239-L241 PolarHBondContact O-N 2.94Å; E239-K242 VanDerWaalsContact CD-NZ 3.27Å; E239-K242 PolarHBondContact O-N 3.3Å; E239-K242 WeakPolarHBondContact OE1-CE 3.44Å; E239-K242 IonicContact OE1-NZ 2.69Å; E239-K242 PolarHBondContact OE1-NZ 3.28Å; E239-K242 WeakPolarHBondContact OE2-CD 3.42Å; E239-K242 IonicContact OE2-NZ 2.7Å; E239-K242 PolarHBondContact OE2-NZ 3.23Å; E239-V243 WeakPolarHBondContact O-CG2 3.41Å; E239-V243 PolarHBondContact O-N 2.87Å
240	L	60.3	Low	61.1	Low	56 Å²	56	108.5 Å²	108.5	29%	0.293	54%	0.54	S	S	.	.	H	α-helix	trans	-66.2	-18.9	170.8	-72.5	177.9	0	0	0	114.2	M232 H236 N237 Q238	M232-L240 HydrophobicContact CE-CD1 4.14Å; M232-L240 HydrophobicContact CE-CD2 3.78Å; M232-L240 HydrophobicContact CG-CD1 3.94Å; M232-L240 HydrophobicContact CG-CD2 4.14Å; M232-L240 HydrophobicContact CG-CG 4.15Å; M232-L240 HydrophobicContact SD-CD2 3.99Å; H236-L240 WeakPolarHBondContact O-CG 3.27Å; H236-L240 PolarHBondContact O-N 2.94Å; H236-L240 VanDerWaalsContact O-N 3.08Å; N237-L240 PolarHBondContact O-N 3.47Å; Q238-L240 VanDerWaalsContact C-N 3.34Å; Q238-L240 PolarHBondContact O-N 3.35Å
241	L	59.9	Low	59.1	Low	99 Å²	99	108.9 Å²	108.9	52%	0.518	55%	0.552	S	S	.	*	H	α-helix	trans	-85.5	-42.3	174.3	-69.5	167.2	0	0	0	111	N237 Q238 E239 V243 K244 T245	N237-L241 WeakPolarHBondContact O-CG 3.33Å; N237-L241 PolarHBondContact O-N 3.37Å; Q238-L241 WeakPolarHBondContact O-CB 3.41Å; Q238-L241 PolarHBondContact O-N 3.32Å; E239-L241 PolarHBondContact O-N 2.94Å; L241-V243 PolarHBondContact O-N 3.32Å; L241-K244 CarbonylContact O-C 3.56Å; L241-K244 WeakPolarHBondContact O-CA 3.38Å; L241-K244 WeakPolarHBondContact O-CB 3.24Å; L241-K244 PolarHBondContact O-N 2.88Å; L241-T245 PolarHBondContact O-N 3.31Å
242	K	55.3	Low	56.6	Low	113 Å²	113	114.2 Å²	114.2	49%	0.491	58%	0.581	S	S	.	*	H	α-helix	trans	-57.5	-47.3	172.8	-67.1	171.8	-178	167.1	0	112.3	Q238 E239 K244 T245 E246	Q238-K242 PolarHBondContact O-N 3.26Å; E239-K242 VanDerWaalsContact CD-NZ 3.27Å; E239-K242 PolarHBondContact O-N 3.3Å; E239-K242 WeakPolarHBondContact OE1-CE 3.44Å; E239-K242 IonicContact OE1-NZ 2.69Å; E239-K242 PolarHBondContact OE1-NZ 3.28Å; E239-K242 WeakPolarHBondContact OE2-CD 3.42Å; E239-K242 IonicContact OE2-NZ 2.7Å; E239-K242 PolarHBondContact OE2-NZ 3.23Å; K242-K244 PolarHBondContact O-N 3.18Å; K242-T245 PolarHBondContact O-N 2.78Å; K242-T245 PolarHBondContact O-OG1 2.97Å; K242-E246 PolarHBondContact O-N 3.02Å
243	V	56.6	Low	55.1	Low	98 Å²	98	116.7 Å²	116.7	59%	0.594	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-6.7	176.1	175	0	0	0	0	112.7	E239 L241	E239-V243 WeakPolarHBondContact O-CG2 3.41Å; E239-V243 PolarHBondContact O-N 2.87Å; L241-V243 PolarHBondContact O-N 3.32Å
244	K	45	Very low	52.9	Low	176 Å²	176	119 Å²	119	77%	0.765	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-6.7	175.3	-150.2	-154.6	171.2	-157.5	0	113.6	L241 K242	L241-K244 CarbonylContact O-C 3.56Å; L241-K244 WeakPolarHBondContact O-CA 3.38Å; L241-K244 WeakPolarHBondContact O-CB 3.24Å; L241-K244 PolarHBondContact O-N 2.88Å; K242-K244 PolarHBondContact O-N 3.18Å
245	T	48.1	Very low	50.6	Low	100 Å²	100	116.3 Å²	116.3	61%	0.613	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-29.4	172.5	47.5	0	0	0	0	112.6	L241 K242 P247	L241-T245 PolarHBondContact O-N 3.31Å; K242-T245 PolarHBondContact O-N 2.78Å; K242-T245 PolarHBondContact O-OG1 2.97Å; T245-P247 WeakPolarHBondContact O-CD 3.47Å
246	E	35.8	Very low	48.5	Very low	134 Å²	134	119.1 Å²	119.1	63%	0.626	63%	0.629	S	S	*	*	S	Bend	trans	-77.5	121.4	176.4	-54.2	-43.9	117.7	0	0	111.7	K242	K242-E246 PolarHBondContact O-N 3.02Å
247	P	39.4	Very low	46.1	Very low	105 Å²	105	125.4 Å²	125.4	68%	0.682	66%	0.663	S	S	*	*			trans	-71.4	142.7	165.8	31.6	-32.8	0	0	0	110	T245 D249	T245-P247 WeakPolarHBondContact O-CD 3.47Å; P247-D249 PolarHBondContact O-N 2.95Å
248	V	43.1	Very low	44.1	Very low	132 Å²	132	128.4 Å²	128.4	80%	0.8	68%	0.684	S	S	*	*			trans	-86.8	98.9	178.2	179.7	0	0	0	0	109.7
249	D	35.7	Very low	42.4	Very low	151 Å²	151	127 Å²	127	81%	0.807	69%	0.691	S	S	*	*			trans	-73	161	159.1	-79.3	-48.2	0	0	0	111.3	P247	P247-D249 PolarHBondContact O-N 2.95Å
250	F	42.7	Very low	40.9	Very low	183 Å²	183	130.2 Å²	130.2	80%	0.803	71%	0.714	S	S	*	*			trans	-96.4	168.2	-158.5	-103.4	-107.8	0	0	0	115.6
251	L	38.9	Very low	39.8	Very low	150 Å²	150	133 Å²	133	79%	0.785	74%	0.736	S	S	*	*			trans	79.9	140.5	172	-44	-178.7	0	0	0	114.9
252	D	30.4	Very low	38.4	Very low	136 Å²	136	136.7 Å²	136.7	73%	0.727	75%	0.754	S	S	*	*			cis	-150.9	153.5	-4.5	-134.4	3.4	0	0	0	111.5
253	P	47.3	Very low	37.3	Very low	103 Å²	103	139 Å²	139	67%	0.669	76%	0.764	S	S	*	*			trans	-110.5	58.3	-163.9	41.9	-35.5	0	0	0	116.9
254	F	35.6	Very low	35.9	Very low	193 Å²	193	139.6 Å²	139.6	85%	0.846	76%	0.764	S	S	*	*			trans	-143.7	145.7	161.6	-69.3	-77.9	0	0	0	108.7
255	T	32	Very low	35.2	Very low	128 Å²	128	138.6 Å²	138.6	79%	0.785	76%	0.762	S	S	*	*			cis	-149.2	152	36.1	47	0	0	0	0	112.3
256	C	30.3	Very low	34.4	Very low	131 Å²	131	140.8 Å²	140.8	89%	0.885	77%	0.769	S	S	*	*			trans	-166.7	70.6	158.1	-103.3	0	0	0	0	110.8
257	N	30.6	Very low	34.1	Very low	164 Å²	164	142.1 Å²	142.1	88%	0.877	78%	0.78	S	S	*	*			trans	-139.1	114.9	165.1	-104.8	-13.7	0	0	0	107.3
258	V	32.2	Very low	34.3	Very low	136 Å²	136	142.6 Å²	142.6	82%	0.824	78%	0.783	S	S	*	*			trans	-110.8	113.3	178.6	177.5	0	0	0	0	108.5
259	S	30.2	Very low	33.6	Very low	119 Å²	119	142.4 Å²	142.4	83%	0.832	78%	0.781	S	S	*	*			trans	-139.4	129.8	166.6	-67.8	0	0	0	0	108.2
260	V	29.7	Very low	33.2	Very low	127 Å²	127	142.8 Å²	142.8	77%	0.77	78%	0.781	S	S	*	*			trans	-93.3	138.7	-173.2	178.4	0	0	0	0	110.2
261	P	36.9	Very low	32.4	Very low	115 Å²	115	139.4 Å²	139.4	75%	0.747	78%	0.78	S	S	*	*			trans	-87.3	145.4	178.6	34.5	-34.8	0	0	0	113.1
262	I	31.1	Very low	31.9	Very low	176 Å²	176	139.6 Å²	139.6	90%	0.903	78%	0.781	S	S	*	*			trans	-132.4	158.4	161.9	-63	-176.1	0	0	0	107.8
263	K	31.2	Very low	32.2	Very low	163 Å²	163	139 Å²	139	71%	0.709	78%	0.784	S	S	*	*			trans	-106.7	162.8	-154.6	-121.9	-179.8	153.5	-78.9	0	114.8
264	D	28.9	Very low	31.4	Very low	109 Å²	109	138.7 Å²	138.7	58%	0.583	78%	0.784	S	S	*	*			trans	40.2	125.7	154.2	-41.8	-36.6	0	0	0	120.9
265	E	29.7	Very low	31.1	Very low	156 Å²	156	135.4 Å²	135.4	73%	0.729	79%	0.785	S	S	*	*				179.6	145.1	98.3	-95.1	-71	61.1	0	0	115
266	L	30.9	Very low	30.9	Very low	145 Å²	145	137.7 Å²	137.7	76%	0.759	79%	0.787	S	S	*	*			trans	44.6	131.9	156.9	-52.9	-178.8	0	0	0	124.4
267	L	30.2	Very low	30.8	Very low	163 Å²	163	138.3 Å²	138.3	85%	0.853	78%	0.781	S	S	*	*			trans	-90.4	173.6	156.8	-56.9	167.8	0	0	0	109.9
268	P	43.3	Very low	30.6	Very low	115 Å²	115	137.9 Å²	137.9	75%	0.747	78%	0.778	S	S	*	*				-156.4	-174.3	82.4	36.1	-12.4	0	0	0	117.2
269	V	28.3	Very low	30.3	Very low	127 Å²	127	136.6 Å²	136.6	77%	0.77	78%	0.775	S	S	*	*			trans	80.9	129.1	160.4	-175.4	0	0	0	0	117.7
270	M	27.3	Very low	30.5	Very low	160 Å²	160	140 Å²	140	79%	0.788	77%	0.774	S	S	*	*			cis	-166.3	176.2	-20.9	-115.2	-56.7	109.5	0	0	110.8
271	S	25.3	Very low	30.7	Very low	112 Å²	112	139.4 Å²	139.4	78%	0.783	77%	0.773	S	S	*	*			trans	84.6	101.7	153.6	-60.4	0	0	0	0	121.7
272	L	27.6	Very low	30.3	Very low	154 Å²	154	143 Å²	143	81%	0.806	78%	0.777	S	S	*	*			trans	-67.3	-178.3	148.6	-89.1	158.2	0	0	0	111.3
273	P	38.3	Very low	30.2	Very low	123 Å²	123	139.8 Å²	139.8	80%	0.799	77%	0.766	S	S	*	*			cis	-142.9	-179.9	25	42.7	-21.6	0	0	0	119.4
274	S	29.6	Very low	30	Very low	97 Å²	97	138.4 Å²	138.4	68%	0.678	77%	0.767	S	S	*	*			trans	-79.1	175.4	-178.3	-33.4	0	0	0	0	115.5
275	S	28.6	Very low	30.1	Very low	124 Å²	124	138.5 Å²	138.5	87%	0.867	77%	0.771	S	S	*	*			trans	-158.1	140	141.2	-81.4	0	0	0	0	111
276	E	28.8	Very low	30	Very low	176 Å²	176	138.1 Å²	138.1	82%	0.822	77%	0.773	S	S	*	*			trans	-99.9	172.4	169.3	-63	-173	107.8	0	0	110.8
277	L	28.8	Very low	29.9	Very low	143 Å²	143	138.3 Å²	138.3	75%	0.749	77%	0.77	S	S	*	*				160.3	142.3	110.1	-83.7	-177.6	0	0	0	113.9
278	L	26.2	Very low	29.7	Very low	156 Å²	156	137.3 Å²	137.3	82%	0.817	77%	0.765	S	S	*	*			trans	63.2	154.6	157.8	-90.8	64.5	0	0	0	118
279	S	26.1	Very low	28.9	Very low	108 Å²	108	137.7 Å²	137.7	76%	0.755	76%	0.761	S	S	*	*			cis	-155.2	172.4	-7.1	53	0	0	0	0	111.9
280	K	33.7	Very low	28.9	Very low	191 Å²	191	138.6 Å²	138.6	83%	0.83	76%	0.761	S	S	*	*			trans	-132.9	148.4	167.6	-67.8	178.9	-179.4	173.5	0	109.1
281	P	35	Very low	28.8	Very low	114 Å²	114	141.5 Å²	141.5	74%	0.74	76%	0.764	S	S	*	*				-128.7	154.3	100.3	4.2	18.9	0	0	0	112.6
282	F	27.2	Very low	28.9	Very low	191 Å²	191	142.5 Å²	142.5	84%	0.838	76%	0.761	S	S	*	*				60.8	139.6	73.3	-79.8	-79.9	0	0	0	114.1
283	T	28.3	Very low	28.9	Very low	108 Å²	108	140.8 Å²	140.8	66%	0.663	76%	0.757	S	S	*	*			cis	-148.1	161.6	31.7	44.9	0	0	0	0	116.2
284	N	27.8	Very low	29	Very low	135 Å²	135	141.2 Å²	141.2	72%	0.722	76%	0.76	S	S	*	*			trans	63.5	148.5	141.6	-66.7	-2.1	0	0	0	121.6
285	T	30.3	Very low	28.8	Very low	110 Å²	110	146.2 Å²	146.2	68%	0.675	77%	0.77	S	S	*	*			cis	-166.5	176.6	-11.9	22.1	0	0	0	0	107
286	L	28.1	Very low	28.7	Very low	149 Å²	149	149.1 Å²	149.1	78%	0.78	77%	0.77	S	S	*	*			cis	-128.7	174.5	8.8	-64.2	163.2	0	0	0	108.3
287	Q	28.3	Very low	28.5	Very low	149 Å²	149	144.6 Å²	144.6	70%	0.696	76%	0.757	S	S	*	*			cis	77.9	137.5	20.5	-60.3	-68.3	17	0	0	115.5
288	L	26.7	Very low	28.3	Very low	142 Å²	142	144.3 Å²	144.3	74%	0.743	75%	0.754	S	S	*	*			cis	-124	-157.2	-12.2	-62.3	91.6	0	0	0	107.9
289	N	27.4	Very low	28.5	Very low	122 Å²	122	145.1 Å²	145.1	65%	0.652	75%	0.753	S	S	*	*			cis	-157.4	177.4	0.4	-155.9	4.9	0	0	0	112.1
290	L	28.3	Very low	28.4	Very low	147 Å²	147	145.3 Å²	145.3	77%	0.77	76%	0.755	S	S	*	*			trans	-88.4	171.1	165.1	-81.3	56.6	0	0	0	112.2
291	Y	25.3	Very low	28.2	Very low	220 Å²	220	141.8 Å²	141.8	86%	0.863	75%	0.754	S	S	*	*				-159.8	155.8	128.8	-110.2	-71.9	0	0	0	112.3
292	N	25.8	Very low	27.7	Very low	134 Å²	134	139.8 Å²	139.8	72%	0.717	75%	0.754	S	S	*	*			trans	-157.4	162.9	-178.6	-170.4	14.5	0	0	0	110.7
293	T	29.1	Very low	27.7	Very low	118 Å²	118	136.8 Å²	136.8	72%	0.724	76%	0.757	S	S	*	*			trans	68.8	164.4	175	74.8	0	0	0	0	115.2
294	P	38.7	Very low	27.6	Very low	131 Å²	131	135.2 Å²	135.2	85%	0.851	76%	0.755	S	S	*	*			cis	-129.6	-153.9	12.8	44	-25.8	0	0	0	116.2
295	F	25.3	Very low	27.7	Very low	203 Å²	203	136.6 Å²	136.6	89%	0.89	76%	0.757	S	S	*	*			trans	-138.4	143.8	-153.4	-152.9	-77.2	0	0	0	111.8
296	Q	27.3	Very low	27.7	Very low	185 Å²	185	139.4 Å²	139.4	86%	0.864	76%	0.762	S	S	*	*			trans	-164	149.9	167	-100.2	-174.8	-20.7	0	0	109.8
297	S	25.7	Very low	27.7	Very low	80 Å²	80	139.6 Å²	139.6	56%	0.559	76%	0.761	S	S	*	*			cis	-169.6	-177.8	-25	56.4	0	0	0	0	111.2
298	M	24.3	Very low	27.8	Very low	137 Å²	137	138.5 Å²	138.5	68%	0.675	76%	0.758	S	S	*	*			trans	90.6	116.5	-179.1	-53.4	-63.7	98.3	0	0	113.8
299	Q	28.9	Very low	27.8	Very low	173 Å²	173	137.4 Å²	137.4	81%	0.808	76%	0.758	S	S	*	*				68	133.6	56.9	-62.1	-175.7	5.3	0	0	112
300	S	25.1	Very low	27.9	Very low	113 Å²	113	137.9 Å²	137.9	79%	0.79	77%	0.765	S	S	*	*			cis	-156.6	176.5	7.8	64.2	0	0	0	0	109.4
301	S	28.6	Very low	28	Very low	117 Å²	117	138.3 Å²	138.3	82%	0.818	77%	0.768	S	S	*	*			cis	-171.2	152.6	-22.4	43.3	0	0	0	0	110.1
302	G	25.8	Very low	28.9	Very low	72 Å²	72	132.5 Å²	132.5	74%	0.742	76%	0.757	S	S	*	*			trans	122.1	112.9	175.2	0	0	0	0	0	111.8
303	S	26.1	Very low	29.1	Very low	127 Å²	127	134 Å²	134	89%	0.888	76%	0.764	S	S	*	*				67.5	124.7	67.6	-168.6	0	0	0	0	113.2
304	A	26	Very low	29	Very low	76 Å²	76	131.8 Å²	131.8	63%	0.628	77%	0.765	S	S	*	*			cis	169.4	174.4	-21	0	0	0	0	0	106.4
305	H	29.5	Very low	28.8	Very low	163 Å²	163	133 Å²	133	76%	0.755	76%	0.761	S	S	*	*			trans	75.3	135.2	162	-84.4	-79.3	0	0	0	121
306	Q	31.1	Very low	28.8	Very low	169 Å²	169	129.9 Å²	129.9	79%	0.79	76%	0.758	S	S	*	*			trans	77.1	149.1	146.9	-69.6	171.6	72.5	0	0	119.2
307	M	28.3	Very low	28.9	Very low	154 Å²	154	126.3 Å²	126.3	76%	0.759	75%	0.753	S	S	*	*			cis	171.3	155	-36.4	-103.4	-84.3	-136	0	0	107.3
308	I	30	Very low	29.6	Very low	125 Å²	125	127.8 Å²	127.8	64%	0.641	76%	0.761	S	S	*	*			trans	63.5	99.5	147	-68.1	163.3	0	0	0	118.5
309	T	26.7	Very low	29.9	Very low	120 Å²	120	127.8 Å²	127.8	74%	0.736	76%	0.762	S	S	*	*			trans	63.8	167	140.1	65.1	0	0	0	0	119
310	T	29.7	Very low	29.7	Very low	131 Å²	131	126.1 Å²	126.1	80%	0.804	76%	0.759	S	S	*	*			cis	-148	152.2	17.8	-22.4	0	0	0	0	113.3
311	L	31.6	Very low	29.8	Very low	156 Å²	156	128.2 Å²	128.2	82%	0.817	76%	0.758	S	S	*	*			trans	-65.8	-178.3	157.9	-84.9	160.6	0	0	0	112
312	P	42.9	Very low	29.6	Very low	98 Å²	98	128.1 Å²	128.1	64%	0.636	75%	0.748	S	S	*	*			cis	-141.4	-179.6	-6.6	27.8	-3.3	0	0	0	117.5
313	L	30.7	Very low	29.7	Very low	167 Å²	167	130.3 Å²	130.3	87%	0.874	75%	0.747	S	S	*	*			trans	66.2	153.2	137.7	-79.4	162	0	0	0	123.9
314	G	26.6	Very low	29.7	Very low	71 Å²	71	130.3 Å²	130.3	73%	0.732	74%	0.742	S	S	*	*			trans	112.4	81.7	175.1	0	0	0	0	0	113.1
315	M	33.6	Very low	29.8	Very low	156 Å²	156	134.9 Å²	134.9	77%	0.768	75%	0.75	S	S	*	*			cis	64.6	79.2	47.4	-80.6	-98.9	70.7	0	0	115.6
316	T	26.9	Very low	30.1	Very low	137 Å²	137	131.9 Å²	131.9	84%	0.84	74%	0.744	S	S	*	*			trans	-151.3	138.2	144.8	38.7	0	0	0	0	111.7
317	C	29.8	Very low	29.9	Very low	110 Å²	110	128.9 Å²	128.9	74%	0.743	74%	0.742	S	S	*	*			trans	-105.7	179.3	146.6	-48	0	0	0	0	106.3
318	P	39.4	Very low	29.9	Very low	112 Å²	112	129.7 Å²	129.7	73%	0.727	74%	0.744	S	S	*	*				-160.3	-166.7	66	37.1	-10.5	0	0	0	116.9
319	I	31.2	Very low	29.8	Very low	136 Å²	136	132 Å²	132	70%	0.697	75%	0.751	S	S	*	*			trans	78.7	112.8	157.2	-54.1	178.9	0	0	0	119.6
320	D	24.8	Very low	29.8	Very low	139 Å²	139	133 Å²	133	74%	0.743	75%	0.751	S	S	*	*				32.9	159.9	122.3	-36.5	-36.9	0	0	0	121.6
321	M	26	Very low	29.6	Very low	156 Å²	156	131.7 Å²	131.7	77%	0.768	75%	0.748	S	S	*	*			cis	-156.5	173.5	9.4	-145.4	152.8	86.9	0	0	112.6
322	D	25	Very low	29.3	Very low	115 Å²	115	133.2 Å²	133.2	62%	0.615	75%	0.748	S	S	*	*			trans	66.4	108.7	154	-83.3	-53.1	0	0	0	124.5
323	T	27.5	Very low	28.3	Very low	118 Å²	118	136.9 Å²	136.9	72%	0.724	75%	0.754	S	S	*	*				64.5	153	106.4	-49.9	0	0	0	0	122.4
324	V	26.9	Very low	28	Very low	128 Å²	128	138.7 Å²	138.7	78%	0.776	75%	0.751	S	S	*	*			trans	94.6	109.1	170.3	-170.1	0	0	0	0	117.5
325	H	28.3	Very low	28.6	Very low	172 Å²	172	139.7 Å²	139.7	80%	0.796	74%	0.744	S	S	*	*			trans	-81.7	147.5	156.1	-119	-55.4	0	0	0	109.2
326	P	35.3	Very low	28.1	Very low	99 Å²	99	141.3 Å²	141.3	64%	0.643	75%	0.747	S	S	*	*				-142.4	167.5	105.4	37.5	-24.7	0	0	0	114.9
327	S	26.8	Very low	28	Very low	106 Å²	106	140.4 Å²	140.4	74%	0.741	75%	0.747	S	S	*	*			trans	-76.9	135.1	-179.5	-48.2	0	0	0	0	112.6
328	H	27.2	Very low	27.9	Very low	171 Å²	171	139.5 Å²	139.5	79%	0.792	74%	0.742	S	S	*	*			trans	-127.1	138.1	162.8	-88.2	-89.7	0	0	0	112.5
329	H	29	Very low	27.3	Very low	174 Å²	174	141.1 Å²	141.1	81%	0.806	75%	0.75	S	S	*	*			trans	-103.6	95.4	-169	179.3	-75.3	0	0	0	110
330	L	26.3	Very low	27.1	Very low	140 Å²	140	139.7 Å²	139.7	73%	0.733	75%	0.751	S	S	*	*			trans	-118.9	106.4	-177.5	-81.1	169.1	0	0	0	112.6	F332	L330-F332 HydrophobicContact CB-CD2 4.38Å; L330-F332 HydrophobicContact CB-CE2 4.25Å; L330-F332 HydrophobicContact CD1-CE2 4.4Å; L330-F332 HydrophobicContact CD2-CE2 4.2Å
331	S	25.5	Very low	27.2	Very low	104 Å²	104	143.9 Å²	143.9	73%	0.727	76%	0.758	S	S	*	*			trans	-74	129.6	160.8	-55.3	0	0	0	0	109.7
332	F	25.1	Very low	27.1	Very low	188 Å²	188	140.9 Å²	140.9	83%	0.825	76%	0.759	S	S	*	*			trans	-119.6	148	161.9	-87.4	-82.1	0	0	0	110.9	L330	L330-F332 HydrophobicContact CB-CD2 4.38Å; L330-F332 HydrophobicContact CB-CE2 4.25Å; L330-F332 HydrophobicContact CD1-CE2 4.4Å; L330-F332 HydrophobicContact CD2-CE2 4.2Å
333	K	22.5	Very low	27.2	Very low	176 Å²	176	142.1 Å²	142.1	77%	0.765	76%	0.764	S	S	*	*			trans	-135.9	137	-166.7	-121.7	180	179.8	-179.6	0	108.3
334	Y	25.4	Very low	27.2	Very low	205 Å²	205	142.1 Å²	142.1	80%	0.804	77%	0.768	S	S	*	*			trans	68.2	164	161.7	-70.9	-59.6	0	0	0	118.4
335	P	39	Very low	27.4	Very low	91 Å²	91	142.7 Å²	142.7	59%	0.591	77%	0.766	S	S	*	*			cis	-137.6	171.7	-21.7	31.3	-11.6	0	0	0	116.3
336	F	22.8	Very low	27.5	Very low	191 Å²	191	140.1 Å²	140.1	84%	0.838	76%	0.764	S	S	*	*			trans	64.7	155.7	161.6	-64.7	-58.3	0	0	0	116.9
337	S	24.5	Very low	27.3	Very low	118 Å²	118	144.4 Å²	144.4	83%	0.825	78%	0.776	S	S	*	*			cis	-123.9	162.5	18.3	-170	0	0	0	0	114.5
338	S	27.2	Very low	27.3	Very low	91 Å²	91	147.7 Å²	147.7	64%	0.636	78%	0.777	S	S	*	*			trans	-105.8	139.2	-177.6	-57.4	0	0	0	0	112
339	T	27.2	Very low	27.5	Very low	146 Å²	146	148.5 Å²	148.5	90%	0.896	78%	0.781	S	S	*	*			trans	-123.8	108.6	154.6	43	0	0	0	0	109.3
340	S	27.5	Very low	27.9	Very low	105 Å²	105	147 Å²	147	73%	0.734	77%	0.774	S	S	*	*			trans	-97.3	126.3	-174.1	53.7	0	0	0	0	112
341	Y	26.2	Very low	28.3	Very low	227 Å²	227	145.9 Å²	145.9	89%	0.89	78%	0.775	S	S	*	*			trans	-124.8	100.8	155.5	-82.9	-76.9	0	0	0	109.2
342	A	24.9	Very low	29	Very low	94 Å²	94	145.7 Å²	145.7	78%	0.777	77%	0.765	S	S	*	*			trans	-79	121.8	172	0	0	0	0	0	109.4
343	I	26.5	Very low	29.7	Very low	141 Å²	141	143.8 Å²	143.8	72%	0.723	76%	0.757	S	S	*	*			trans	-116	94.9	165.3	-59.4	-179.3	0	0	0	107	I345	I343-I345 HydrophobicContact CG2-CG1 4.19Å; I343-I345 PolarHBondContact O-N 3.22Å
344	S	27.5	Very low	30.3	Very low	117 Å²	117	137.2 Å²	137.2	82%	0.818	74%	0.74	S	S	*	*			trans	-66.1	115.5	174.8	-52.1	0	0	0	0	109.8
345	I	30.4	Very low	31	Very low	140 Å²	140	132.9 Å²	132.9	72%	0.718	73%	0.727	S	S	*	*			trans	-112.7	124.4	169	-60.3	-179	0	0	0	106.2	I343 E347	I343-I345 HydrophobicContact CG2-CG1 4.19Å; I343-I345 PolarHBondContact O-N 3.22Å; I345-E347 PolarHBondContact O-N 3.35Å
346	P	31.1	Very low	31.1	Very low	118 Å²	118	131.5 Å²	131.5	77%	0.766	71%	0.713	S	S	*	*			trans	-67.4	136.1	-170.4	26.5	-34.8	0	0	0	111.6	K348	P346-K348 PolarHBondContact O-N 3.09Å
347	E	30.4	Very low	31.8	Very low	189 Å²	189	127.3 Å²	127.3	88%	0.883	70%	0.696	S	S	*	*			trans	-60.8	129.1	170.3	-65	177.9	139.3	0	0	109.6	I345	I345-E347 PolarHBondContact O-N 3.35Å
348	K	27.2	Very low	32.6	Very low	175 Å²	175	124.6 Å²	124.6	76%	0.761	68%	0.677	S	S	*	*			trans	-127.9	81.2	164.9	-168.2	168.3	-171.6	167.6	0	108.5	P346 Q350	P346-K348 PolarHBondContact O-N 3.09Å; K348-Q350 HydrophobicContact CG-CG 4.3Å; K348-Q350 PolarHBondContact O-N 3.49Å
349	E	31.8	Very low	33.1	Very low	188 Å²	188	126.2 Å²	126.2	88%	0.879	67%	0.67	S	S	*	*			trans	-56.5	104.4	167.5	-63.7	-158	119	0	0	109.1
350	Q	37.1	Very low	33.9	Very low	143 Å²	143	122 Å²	122	67%	0.668	64%	0.642	S	S	*	*			trans	-96.5	135.7	164.2	-61.9	-163.6	-83.8	0	0	107.5	K348 L352	K348-Q350 HydrophobicContact CG-CG 4.3Å; K348-Q350 PolarHBondContact O-N 3.49Å; Q350-L352 VanDerWaalsContact C-N 3.31Å; Q350-L352 PolarHBondContact O-N 2.91Å
351	P	35.4	Very low	34.5	Very low	116 Å²	116	124.1 Å²	124.1	75%	0.753	64%	0.642	S	S	*	*			trans	-71.2	84	-172.7	28.4	-35.6	0	0	0	111.6	K353 G354	P351-K353 PolarHBondContact O-N 3.19Å; P351-G354 PolarHBondContact O-N 3.05Å; P351-G354 VanDerWaalsContact O-N 3.11Å
352	L	40.6	Very low	35.2	Very low	100 Å²	100	118.6 Å²	118.6	52%	0.524	63%	0.625	S	S	.	*	H	α-helix	trans	-56.1	-20.1	178.2	-82.7	164	0	0	0	113.4	Q350 G354 E355 I356	Q350-L352 VanDerWaalsContact C-N 3.31Å; Q350-L352 PolarHBondContact O-N 2.91Å; L352-G354 VanDerWaalsContact C-N 3.32Å; L352-G354 PolarHBondContact O-N 2.78Å; L352-E355 PolarHBondContact O-N 2.97Å; L352-I356 WeakPolarHBondContact O-CG1 3.36Å; L352-I356 PolarHBondContact O-N 3.24Å
353	K	38.3	Very low	35.7	Very low	148 Å²	148	118.9 Å²	118.9	64%	0.643	61%	0.613	S	S	*	*	H	α-helix	trans	-53.7	-45.2	173.1	-166.1	177.5	-179.5	-172.9	0	112.1	P351 E355 I356 E357	P351-K353 PolarHBondContact O-N 3.19Å; K353-E355 PolarHBondContact O-N 3.03Å; K353-I356 WeakPolarHBondContact O-CB 3.33Å; K353-I356 PolarHBondContact O-N 2.85Å; K353-I356 VanDerWaalsContact O-N 3.09Å; K353-E357 WeakPolarHBondContact CE-OE1 3.3Å; K353-E357 PolarHBondContact O-N 3.41Å
354	G	34.7	Very low	36.1	Very low	39 Å²	39	119.3 Å²	119.3	40%	0.402	61%	0.611	S	S	.	*	H	α-helix	trans	-68	-33.4	-179.4	0	0	0	0	0	114.2	P351 L352 I356 S358	P351-G354 PolarHBondContact O-N 3.05Å; P351-G354 VanDerWaalsContact O-N 3.11Å; L352-G354 VanDerWaalsContact C-N 3.32Å; L352-G354 PolarHBondContact O-N 2.78Å; G354-I356 VanDerWaalsContact C-N 3.27Å; G354-I356 PolarHBondContact O-N 3.23Å; G354-S358 VanDerWaalsContact O-CB 3.29Å; G354-S358 WeakPolarHBondContact O-CB 3.4Å; G354-S358 PolarHBondContact O-N 3.25Å
355	E	39.9	Very low	36.5	Very low	114 Å²	114	118.4 Å²	118.4	53%	0.533	61%	0.605	S	S	.	*	H	α-helix	trans	-65.6	-32.6	171.5	-72.5	-162.6	156.2	0	0	112.1	K137 L352 K353 Y359	K137-E355 IonicContact NZ-OE2 3.68Å; K137-E355 PolarHBondContact NZ-OE2 3.47Å; L352-E355 PolarHBondContact O-N 2.97Å; K353-E355 PolarHBondContact O-N 3.03Å; E355-Y359 WeakPolarHBondContact O-CB 3.14Å; E355-Y359 PolarHBondContact O-N 3.35Å
356	I	42.1	Very low	36.6	Very low	61 Å²	61	114.9 Å²	114.9	31%	0.313	60%	0.604	S	S	.	*	H	α-helix	trans	-78	-44.7	-178.2	-65.8	165.5	0	0	0	110	L352 K353 G354 Y359 L360	L352-I356 WeakPolarHBondContact O-CG1 3.36Å; L352-I356 PolarHBondContact O-N 3.24Å; K353-I356 WeakPolarHBondContact O-CB 3.33Å; K353-I356 PolarHBondContact O-N 2.85Å; K353-I356 VanDerWaalsContact O-N 3.09Å; G354-I356 VanDerWaalsContact C-N 3.27Å; G354-I356 PolarHBondContact O-N 3.23Å; I356-Y359 PolarHBondContact O-N 3.46Å; I356-L360 HydrophobicContact CG2-CD1 4.23Å; I356-L360 WeakPolarHBondContact O-CG 3.39Å; I356-L360 PolarHBondContact O-N 3.45Å
357	E	37.9	Very low	36.6	Very low	103 Å²	103	114.2 Å²	114.2	48%	0.481	60%	0.597	S	S	.	*	H	α-helix	trans	-61.1	-43.8	174.5	-73	166.5	173.2	0	0	111.5	K353 Y359 L360 M361	K353-E357 WeakPolarHBondContact CE-OE1 3.3Å; K353-E357 PolarHBondContact O-N 3.41Å; E357-Y359 VanDerWaalsContact C-N 3.3Å; E357-Y359 PolarHBondContact O-N 3.37Å; E357-L360 PolarHBondContact O-N 3.48Å; E357-M361 WeakPolarHBondContact O-CB 3.46Å; E357-M361 PolarHBondContact O-N 2.9Å
358	S	40.8	Very low	36.5	Very low	61 Å²	61	111 Å²	111	43%	0.427	59%	0.592	S	S	.	*	H	α-helix	trans	-59.5	-38.1	173.7	-178.7	0	0	0	0	112.8	G354 M361 E362	G354-S358 VanDerWaalsContact O-CB 3.29Å; G354-S358 WeakPolarHBondContact O-CB 3.4Å; G354-S358 PolarHBondContact O-N 3.25Å; S358-M361 PolarHBondContact O-N 3.45Å; S358-E362 PolarHBondContact O-N 3.17Å
359	Y	38.3	Very low	36.5	Very low	125 Å²	125	108.1 Å²	108.1	49%	0.49	60%	0.595	S	S	.	*	H	α-helix	trans	-71.9	-32.5	177	-179.4	-108.8	0	0	0	113.2	E355 I356 E357 L363	E355-Y359 WeakPolarHBondContact O-CB 3.14Å; E355-Y359 PolarHBondContact O-N 3.35Å; I356-Y359 PolarHBondContact O-N 3.46Å; E357-Y359 VanDerWaalsContact C-N 3.3Å; E357-Y359 PolarHBondContact O-N 3.37Å; Y359-L363 HydrophobicContact CD1-CD1 4.3Å; Y359-L363 HydrophobicContact CE1-CD1 3.91Å; Y359-L363 WeakPolarHBondContact O-CG 3.47Å; Y359-L363 PolarHBondContact O-N 3.39Å
360	L	42.6	Very low	36.3	Very low	59 Å²	59	104.8 Å²	104.8	31%	0.309	59%	0.592	S	S	.	*	H	α-helix	trans	-71	-39.4	172	-67.8	168.9	0	0	0	111.1	I356 E357 E362 L363 Q364	I356-L360 HydrophobicContact CG2-CD1 4.23Å; I356-L360 WeakPolarHBondContact O-CG 3.39Å; I356-L360 PolarHBondContact O-N 3.45Å; E357-L360 PolarHBondContact O-N 3.48Å; L360-E362 PolarHBondContact O-N 3.32Å; L360-L363 WeakPolarHBondContact O-CA 3.49Å; L360-L363 WeakPolarHBondContact O-CB 3.45Å; L360-L363 PolarHBondContact O-N 2.9Å; L360-Q364 PolarHBondContact O-N 3Å
361	M	40.6	Very low	36	Very low	148 Å²	148	103.3 Å²	103.3	73%	0.729	60%	0.598	S	S	*	*	H	α-helix	trans	-65.1	-37.5	176.8	-164.3	174.2	-179	0	0	112.6	E357 S358 L363 Q364 S365	E357-M361 WeakPolarHBondContact O-CB 3.46Å; E357-M361 PolarHBondContact O-N 2.9Å; S358-M361 PolarHBondContact O-N 3.45Å; M361-L363 PolarHBondContact O-N 2.85Å; M361-Q364 PolarHBondContact O-N 3.21Å; M361-S365 PolarHBondContact O-N 3.33Å; M361-S365 PolarHBondContact O-OG 3.25Å
362	E	40.9	Very low	35.7	Very low	112 Å²	112	107.1 Å²	107.1	52%	0.523	61%	0.605	S	S	.	*	H	α-helix	trans	-68.1	-11.4	169.7	-81.8	-168.8	163.7	0	0	114.2	K41 S358 L360	K41-E362 IonicContact NZ-OE1 3.8Å; K41-E362 PolarHBondContact NZ-OE1 3.09Å; S358-E362 PolarHBondContact O-N 3.17Å; L360-E362 PolarHBondContact O-N 3.32Å
363	L	35.7	Very low	34.9	Very low	100 Å²	100	110.1 Å²	110.1	52%	0.524	62%	0.622	S	S	.	*	H	α-helix	trans	-94	-32	172	-69.4	166.6	0	0	0	112.2	Y359 L360 M361	Y359-L363 HydrophobicContact CD1-CD1 4.3Å; Y359-L363 HydrophobicContact CE1-CD1 3.91Å; Y359-L363 WeakPolarHBondContact O-CG 3.47Å; Y359-L363 PolarHBondContact O-N 3.39Å; L360-L363 WeakPolarHBondContact O-CA 3.49Å; L360-L363 WeakPolarHBondContact O-CB 3.45Å; L360-L363 PolarHBondContact O-N 2.9Å; M361-L363 PolarHBondContact O-N 2.85Å
364	Q	35.8	Very low	34.4	Very low	149 Å²	149	108.7 Å²	108.7	70%	0.696	63%	0.63	S	S	*	*	H	α-helix	trans	-66.6	-37.4	179.1	-133.6	82.3	-3.4	0	0	112.5	L360 M361 G366	L360-Q364 PolarHBondContact O-N 3Å; M361-Q364 PolarHBondContact O-N 3.21Å; Q364-G366 PolarHBondContact O-N 2.8Å
365	S	34.2	Very low	34	Very low	98 Å²	98	115.9 Å²	115.9	69%	0.685	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-0	-177.1	57.6	0	0	0	0	115.1	M361 V367	M361-S365 PolarHBondContact O-N 3.33Å; M361-S365 PolarHBondContact O-OG 3.25Å; S365-V367 VanDerWaalsContact C-N 3.3Å; S365-V367 PolarHBondContact O-N 3.2Å
366	G	33.6	Very low	33.4	Very low	67 Å²	67	115.5 Å²	115.5	69%	0.691	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	5.7	177.8	0	0	0	0	0	115.4	Q364	Q364-G366 PolarHBondContact O-N 2.8Å
367	V	31	Very low	32.5	Very low	103 Å²	103	118.5 Å²	118.5	62%	0.624	70%	0.696	S	S	*	*	S	Bend	trans	-115.9	129	-175.7	-171.8	0	0	0	0	109.8	S365 S369	S365-V367 VanDerWaalsContact C-N 3.3Å; S365-V367 PolarHBondContact O-N 3.2Å; V367-S369 PolarHBondContact O-N 2.76Å
368	P	28.6	Very low	32	Very low	121 Å²	121	119.2 Å²	119.2	79%	0.786	71%	0.713	S	S	*	*			trans	-75.4	105.1	175.5	30.2	-32.7	0	0	0	110.5	S370	P368-S370 PolarHBondContact O-N 2.98Å
369	S	26.6	Very low	31.4	Very low	116 Å²	116	121.9 Å²	121.9	81%	0.811	73%	0.731	S	S	*	*			trans	-72	103.9	169.4	-62.7	0	0	0	0	110.3	V367 S371	V367-S369 PolarHBondContact O-N 2.76Å; S369-S371 PolarHBondContact O-N 2.99Å
370	S	27.5	Very low	30.8	Very low	117 Å²	117	121.2 Å²	121.2	82%	0.818	75%	0.745	S	S	*	*			trans	-68.6	119.5	161.7	52	0	0	0	0	109.3	P368	P368-S370 PolarHBondContact O-N 2.98Å
371	S	31.1	Very low	30.1	Very low	113 Å²	113	127.6 Å²	127.6	79%	0.79	77%	0.771	S	S	*	*			trans	-72	126.5	-179.7	51.8	0	0	0	0	112.6	S369	S369-S371 PolarHBondContact O-N 2.99Å
372	Q	28.7	Very low	29.4	Very low	195 Å²	195	128.5 Å²	128.5	91%	0.911	78%	0.778	S	S	*	*			trans	-161.1	105.9	152.3	-113.7	168.5	10.7	0	0	109.9
373	D	23.6	Very low	28.6	Very low	164 Å²	164	126.5 Å²	126.5	88%	0.877	79%	0.786	S	S	*	*			trans	-134.7	114.1	163.8	-116.9	-39.9	0	0	0	106.6
374	S	28	Very low	28.3	Very low	117 Å²	117	130.6 Å²	130.6	82%	0.818	81%	0.808	S	S	*	*			trans	-163.4	114.7	172.5	-83.1	0	0	0	0	110.9
375	Q	26.5	Very low	27.7	Very low	190 Å²	190	130.1 Å²	130.1	89%	0.888	81%	0.81	S	S	*	*			trans	64.9	107.9	164.3	-55.8	-165.5	-9.5	0	0	117.5
376	A	26.6	Very low	28.1	Very low	107 Å²	107	130.3 Å²	130.3	88%	0.884	81%	0.809	S	S	*	*			trans	-65.8	144.4	153.3	0	0	0	0	0	110.3
377	S	24.8	Very low	27.8	Very low	123 Å²	123	134.9 Å²	134.9	86%	0.86	81%	0.812	S	S	*	*			trans	-138.5	140.3	156.7	54.6	0	0	0	0	108.4
378	S	27.2	Very low	27.7	Very low	119 Å²	119	137.8 Å²	137.8	83%	0.832	82%	0.823	S	S	*	*			trans	-122.2	127	-167.6	45.3	0	0	0	0	111.6
379	S	26.5	Very low	27.6	Very low	116 Å²	116	135.4 Å²	135.4	81%	0.811	82%	0.82	S	S	*	*			trans	-173.2	153.7	159.9	50.5	0	0	0	0	110.9
380	S	26.9	Very low	27.6	Very low	112 Å²	112	135 Å²	135	78%	0.783	82%	0.817	S	S	*	*			cis	-169.3	156.8	-23.4	-98.5	0	0	0	0	111
381	K	27.3	Very low	27.6	Very low	193 Å²	193	136.9 Å²	136.9	84%	0.839	82%	0.817	S	S	*	*			trans	86.5	153.2	147.5	-147.2	168.4	-173.6	174.7	0	119.7
382	L	27.2	Very low	27.5	Very low	167 Å²	167	138.8 Å²	138.8	87%	0.874	82%	0.819	S	S	*	*			trans	74.4	116.9	-179.7	-50.4	179.3	0	0	0	114.8
383	G	23.4	Very low	27.5	Very low	69 Å²	69	136.8 Å²	136.8	71%	0.711	81%	0.814	S	S	*	*			cis	167.2	169.8	-7.9	0	0	0	0	0	113.2
384	L	28.5	Very low	27.8	Very low	186 Å²	186	132.7 Å²	132.7	97%	0.974	81%	0.811	S	S	*	*			trans	83.1	119.7	179.7	-53.6	175.9	0	0	0	117.1
385	D	24.1	Very low	27.8	Very low	140 Å²	140	132.6 Å²	132.6	75%	0.749	82%	0.817	S	S	*	*			trans	-115.8	165.2	165.3	-147.7	-61.4	0	0	0	106	Q387	D385-Q387 PolarHBondContact OD1-N 3.24Å
386	P	41.9	Very low	27.9	Very low	101 Å²	101	127.3 Å²	127.3	66%	0.656	81%	0.814	S	S	*	*				-155.8	164.3	91.3	40.7	-21.8	0	0	0	117.7
387	Q	27.3	Very low	27.9	Very low	163 Å²	163	128.7 Å²	128.7	76%	0.762	81%	0.806	S	S	*	*			trans	77.6	144.9	164.6	-38.9	-65	-9.2	0	0	115.6	D385	D385-Q387 PolarHBondContact OD1-N 3.24Å
388	I	29.8	Very low	28.1	Very low	165 Å²	165	131 Å²	131	85%	0.846	81%	0.808	S	S	*	*			cis	-144.6	139.7	16	-60.6	165.8	0	0	0	110.7
389	G	26.3	Very low	28.1	Very low	70 Å²	70	129.3 Å²	129.3	72%	0.722	80%	0.796	S	S	*	*				104.3	115.4	130	0	0	0	0	0	123.3
390	S	25.4	Very low	28.1	Very low	107 Å²	107	131.4 Å²	131.4	75%	0.748	80%	0.797	S	S	*	*			trans	81	116.7	132.4	-162.3	0	0	0	0	122.3
391	L	28.8	Very low	28.2	Very low	158 Å²	158	131.2 Å²	131.2	83%	0.827	80%	0.796	S	S	*	*			trans	39.7	134.9	135.7	-57.4	166.3	0	0	0	119.3
392	D	28.7	Very low	28.3	Very low	153 Å²	153	131 Å²	131	82%	0.818	80%	0.795	S	S	*	*				-154.9	169.1	52.5	-175	-154.4	0	0	0	113.1
393	D	28.6	Very low	28.4	Very low	152 Å²	152	127.8 Å²	127.8	81%	0.813	79%	0.787	S	S	*	*			trans	-87.5	159.2	-179	-89.1	-69	0	0	0	113.9
394	G	29.1	Very low	28.5	Very low	79 Å²	79	129.6 Å²	129.6	81%	0.814	79%	0.789	S	S	*	*			trans	-177.4	75.4	178.8	0	0	0	0	0	115.9
395	A	29.1	Very low	28.5	Very low	114 Å²	114	128.5 Å²	128.5	94%	0.942	78%	0.782	S	S	*	*			trans	-75.1	145.5	177.8	0	0	0	0	0	113.3
396	G	29	Very low	28.6	Very low	80 Å²	80	127.6 Å²	127.6	83%	0.825	79%	0.787	S	S	*	*			trans	-161.8	92.3	177.3	0	0	0	0	0	112.4
397	D	25.7	Very low	28	Very low	135 Å²	135	130.8 Å²	130.8	72%	0.722	80%	0.797	S	S	*	*			trans	-80.8	145.1	180	-164.6	-17.3	0	0	0	111.6	S399	D397-S399 PolarHBondContact OD1-N 3.22Å
398	L	30	Very low	28.1	Very low	171 Å²	171	127.2 Å²	127.2	90%	0.895	79%	0.79	S	S	*	*			trans	-171.2	73.1	147.8	-105.9	161.9	0	0	0	113.5
399	S	26.4	Very low	28	Very low	84 Å²	84	126 Å²	126	59%	0.587	79%	0.785	S	S	*	*			trans	5.3	145.7	138.7	-82.2	0	0	0	0	122.5	D397	D397-S399 PolarHBondContact OD1-N 3.22Å
400	L	26.3	Very low	28.8	Very low	160 Å²	160	127.6 Å²	127.6	84%	0.838	78%	0.783	S	S	*	*			trans	81.1	143.8	156.8	-62.3	160.7	0	0	0	117.6
401	S	28.9	Very low	28.9	Very low	109 Å²	109	129.9 Å²	129.9	76%	0.762	79%	0.786	S	S	*	*			cis	-147.3	170.3	23.4	61.2	0	0	0	0	116.4
402	K	29.5	Very low	28.8	Very low	187 Å²	187	129.7 Å²	129.7	81%	0.813	79%	0.786	S	S	*	*			trans	-37.1	159.6	172.9	-57.1	159.5	-179.6	174.6	0	114.8
403	S	29.4	Very low	28.9	Very low	101 Å²	101	128.2 Å²	128.2	71%	0.706	78%	0.782	S	S	*	*			cis	-160.3	125.6	31.1	40.8	0	0	0	0	110.3
404	S	26.6	Very low	29.2	Very low	107 Å²	107	127 Å²	127	75%	0.748	78%	0.782	S	S	*	*				55.7	108.6	86.1	75.8	0	0	0	0	117.1
405	I	28.4	Very low	29.1	Very low	163 Å²	163	127.6 Å²	127.6	84%	0.836	78%	0.78	S	S	*	*				-160.2	140.1	127.8	-98.4	155.3	0	0	0	107.5
406	S	25.7	Very low	29.2	Very low	121 Å²	121	129.7 Å²	129.7	85%	0.846	77%	0.774	S	S	*	*			trans	-133.3	137.9	174.2	-56.2	0	0	0	0	109.2
407	I	28.2	Very low	29.2	Very low	167 Å²	167	131.6 Å²	131.6	86%	0.856	77%	0.765	S	S	*	*			trans	-136	144.6	164.8	-59.9	-178	0	0	0	106.3
408	S	30.8	Very low	29.4	Very low	88 Å²	88	134.9 Å²	134.9	62%	0.615	77%	0.774	S	S	*	*			trans	-123.7	167.2	-162.2	64.1	0	0	0	0	114.5
409	D	28.2	Very low	29.6	Very low	141 Å²	141	131.1 Å²	131.1	75%	0.754	76%	0.762	S	S	*	*			trans	74.3	163.7	154.4	-53.2	-44.3	0	0	0	117.8
410	P	42.5	Very low	30	Very low	103 Å²	103	135.9 Å²	135.9	67%	0.669	78%	0.775	S	S	*	*				-139.6	-164.2	-79.9	39.1	-19.6	0	0	0	114
411	L	26.1	Very low	30.3	Very low	155 Å²	155	135.7 Å²	135.7	81%	0.812	77%	0.774	S	S	*	*			trans	64.7	105.1	159.1	-71.5	163	0	0	0	118.4
412	N	28.3	Very low	30.6	Very low	154 Å²	154	140.2 Å²	140.2	82%	0.824	78%	0.78	S	S	*	*				-166.2	158.1	100.9	-121	-25.1	0	0	0	113.7
413	T	29.5	Very low	30.5	Very low	121 Å²	121	138.2 Å²	138.2	74%	0.742	78%	0.778	S	S	*	*			trans	-101.5	162.3	158.6	61.1	0	0	0	0	108.8
414	P	34.5	Very low	30.5	Very low	127 Å²	127	142.6 Å²	142.6	83%	0.825	79%	0.785	S	S	*	*				-143.1	179.5	84.2	38.2	-21.7	0	0	0	113.8
415	A	27.1	Very low	31	Very low	92 Å²	92	144.6 Å²	144.6	76%	0.76	79%	0.786	S	S	*	*			trans	-111.6	140.6	173.4	0	0	0	0	0	111.8
416	L	31.3	Very low	31.3	Very low	157 Å²	157	142.4 Å²	142.4	82%	0.822	78%	0.782	S	S	*	*			trans	-143.3	121.2	159.1	-71.7	179.7	0	0	0	105.6
417	D	29	Very low	31.5	Very low	120 Å²	120	144.2 Å²	144.2	64%	0.642	78%	0.782	S	S	*	*				73.5	117	74.1	-171	15.2	0	0	0	112.9	S419	D417-S419 VanDerWaalsContact OD1-CB 3.3Å; D417-S419 WeakPolarHBondContact OD1-CB 3.36Å; D417-S419 PolarHBondContact OD1-N 3.5Å; D417-S419 PolarHBondContact OD1-OG 2.94Å
418	F	31	Very low	31.6	Very low	205 Å²	205	144.1 Å²	144.1	90%	0.899	78%	0.783	S	S	*	*			trans	-102	23.1	-174	-97.2	-86.6	0	0	0	113.2	Q420	F418-Q420 VanDerWaalsContact C-N 3.31Å; F418-Q420 PolarHBondContact O-N 3.32Å
419	S	34	Very low	31.7	Very low	92 Å²	92	143.1 Å²	143.1	64%	0.643	79%	0.786	S	S	*	*			trans	-82.9	44	-170.6	-62.3	0	0	0	0	115.4	D417	D417-S419 VanDerWaalsContact OD1-CB 3.3Å; D417-S419 WeakPolarHBondContact OD1-CB 3.36Å; D417-S419 PolarHBondContact OD1-N 3.5Å; D417-S419 PolarHBondContact OD1-OG 2.94Å
420	Q	34.1	Very low	32.1	Very low	183 Å²	183	142.2 Å²	142.2	86%	0.855	79%	0.788	S	S	*	*			trans	-153.8	34.5	-176.1	-134.4	161.1	68.6	0	0	119.4	F418	F418-Q420 VanDerWaalsContact C-N 3.31Å; F418-Q420 PolarHBondContact O-N 3.32Å
421	L	33.5	Very low	32.1	Very low	157 Å²	157	143.5 Å²	143.5	82%	0.822	80%	0.796	S	S	*	*			trans	-127.4	40.2	174	-77.3	178.8	0	0	0	115.9
422	F	34.2	Very low	32.3	Very low	203 Å²	203	145.9 Å²	145.9	89%	0.89	80%	0.796	S	S	*	*			trans	-141.2	98.8	159.9	-86.9	-72	0	0	0	112.3
423	N	29.3	Very low	32.6	Very low	146 Å²	146	145.3 Å²	145.3	78%	0.781	79%	0.793	S	S	*	*			trans	165.7	141.6	161.8	-85.7	-32.3	0	0	0	104.5
424	F	29.1	Very low	33.5	Very low	193 Å²	193	144.3 Å²	144.3	85%	0.846	79%	0.789	S	S	*	*			cis	-134.1	159.9	26.8	-71.7	-100.2	0	0	0	113
425	I	36.3	Very low	33.1	Very low	148 Å²	148	146 Å²	146	76%	0.759	79%	0.79	S	S	*	*			trans	-110.7	123.6	165	-62.7	170.2	0	0	0	108.4	L427	I425-L427 HydrophobicContact CG2-CD1 4.32Å; I425-L427 HydrophobicContact CG2-CG 4.08Å
426	P	35.1	Very low	33.1	Very low	118 Å²	118	146.9 Å²	146.9	77%	0.766	79%	0.79	S	S	*	*			trans	-95.9	101	168	33.1	-27.8	0	0	0	111.1
427	L	29.5	Very low	33	Very low	159 Å²	159	146.2 Å²	146.2	83%	0.832	79%	0.792	S	S	*	*			trans	-116.1	100.3	163.4	-79.9	173.1	0	0	0	108.7	I425	I425-L427 HydrophobicContact CG2-CD1 4.32Å; I425-L427 HydrophobicContact CG2-CG 4.08Å
428	N	31.1	Very low	32.9	Very low	165 Å²	165	143.9 Å²	143.9	88%	0.882	80%	0.797	S	S	*	*			trans	-102.7	125.4	173.1	-81.1	-19.4	0	0	0	110.5
429	G	32.9	Very low	32.8	Very low	66 Å²	66	139.6 Å²	139.6	68%	0.68	79%	0.793	S	S	*	*			trans	-87.6	176	165.8	0	0	0	0	0	112.5
430	P	35.6	Very low	32.7	Very low	122 Å²	122	143.7 Å²	143.7	79%	0.792	81%	0.806	S	S	*	*			trans	-86.2	148.1	-177.4	34	-34.7	0	0	0	113.9
431	P	44	Very low	32.2	Very low	130 Å²	130	137.7 Å²	137.7	84%	0.844	79%	0.794	S	S	*	*			trans	-90.3	-178.5	169.9	36.7	-34.6	0	0	0	113.4
432	Y	29.5	Very low	32.1	Very low	206 Å²	206	138.4 Å²	138.4	81%	0.808	80%	0.795	S	S	*	*			trans	-120.8	149.7	-161.4	-110.8	-94.2	0	0	0	115.2
433	N	33.8	Very low	31.7	Very low	141 Å²	141	133.2 Å²	133.2	75%	0.754	78%	0.784	S	S	*	*			trans	64.8	169.4	149	-89.5	2.5	0	0	0	121.1
434	P	49.2	Very low	31.7	Very low	101 Å²	101	135.3 Å²	135.3	66%	0.656	78%	0.782	S	S	*	*			cis	-136.7	168.6	-28.4	36.2	-20	0	0	0	115.2
435	L	26.2	Very low	31.7	Very low	162 Å²	162	131 Å²	131	85%	0.848	78%	0.776	S	S	*	*			trans	162	133.7	133.5	-93.5	160.7	0	0	0	115.3
436	S	27.1	Very low	31.4	Very low	111 Å²	111	130.1 Å²	130.1	78%	0.776	77%	0.769	S	S	*	*			trans	56	146.1	151.5	-105.2	0	0	0	0	120.6
437	V	29.8	Very low	31.2	Very low	142 Å²	142	132.4 Å²	132.4	86%	0.861	77%	0.769	S	S	*	*			cis	-146.9	150.3	12.9	-177.3	0	0	0	0	110
438	G	26.3	Very low	31.3	Very low	72 Å²	72	132 Å²	132	74%	0.742	76%	0.763	S	S	*	*			trans	120.8	123.9	143.4	0	0	0	0	0	119.8
439	S	28.5	Very low	31.2	Very low	115 Å²	115	128.5 Å²	128.5	80%	0.804	76%	0.757	S	S	*	*			trans	-55.2	165.3	172.7	-46.6	0	0	0	0	115.1
440	L	31.2	Very low	31	Very low	177 Å²	177	133.2 Å²	133.2	93%	0.927	76%	0.761	S	S	*	*			cis	-138.8	174.3	23.1	-66	156.7	0	0	0	109.4
441	G	25	Very low	30.7	Very low	58 Å²	58	132.7 Å²	132.7	60%	0.598	76%	0.76	S	S	*	*			cis	147.4	146	1	0	0	0	0	0	111
442	M	30	Very low	29.9	Very low	172 Å²	172	131.9 Å²	131.9	85%	0.847	76%	0.758	S	S	*	*			trans	76.7	126.1	-171.9	-44.2	-70.9	83.3	0	0	114.8
443	S	27.4	Very low	29.8	Very low	93 Å²	93	128.5 Å²	128.5	65%	0.65	76%	0.758	S	S	*	*			cis	82.1	139.4	22.3	87.3	0	0	0	0	115.3
444	Y	29.5	Very low	29.4	Very low	190 Å²	190	127.9 Å²	127.9	75%	0.745	77%	0.765	S	S	*	*			cis	-134.8	-179	11.1	-119.2	-96.4	0	0	0	108.6
445	S	28.3	Very low	28.6	Very low	104 Å²	104	131.1 Å²	131.1	73%	0.727	77%	0.771	S	S	*	*			cis	-144.2	175.3	6.5	-52.8	0	0	0	0	108.3
446	Q	29.6	Very low	28.9	Very low	128 Å²	128	129.5 Å²	129.5	60%	0.598	76%	0.763	S	S	*	*			cis	90.3	108.9	10.6	-162.4	172.9	1.5	0	0	118.9
447	E	30.6	Very low	29.8	Very low	166 Å²	166	129.9 Å²	129.9	78%	0.776	76%	0.763	S	S	*	*			trans	46.8	151.6	147.9	-64.7	152.6	177.1	0	0	121
448	E	31.6	Very low	30.8	Very low	150 Å²	150	128.1 Å²	128.1	70%	0.701	75%	0.754	S	S	*	*			cis	-143.5	-145	5.3	-145.8	-150.9	113.8	0	0	110.5	H450	E448-H450 IonicContact OE1-CD2 2.99Å; E448-H450 PolarHBondContact OE1-CD2 3.43Å; E448-H450 IonicContact OE1-CG 3.98Å; E448-H450 IonicContact OE1-NE2 3.66Å
449	A	28.4	Very low	30.9	Very low	92 Å²	92	134 Å²	134	76%	0.76	76%	0.762	S	S	*	*			cis	-156.5	-176.3	7.6	0	0	0	0	0	116.7
450	H	30.3	Very low	31	Very low	165 Å²	165	134.5 Å²	134.5	76%	0.764	76%	0.761	S	S	*	*			trans	-75.5	160.4	-169.6	-76.8	-91	0	0	0	123.2	E448	E448-H450 IonicContact OE1-CD2 2.99Å; E448-H450 PolarHBondContact OE1-CD2 3.43Å; E448-H450 IonicContact OE1-CG 3.98Å; E448-H450 IonicContact OE1-NE2 3.66Å
451	S	28	Very low	30.9	Very low	111 Å²	111	135.7 Å²	135.7	78%	0.776	76%	0.762	S	S	*	*			trans	79.6	159.2	146.3	89.4	0	0	0	0	119.1
452	S	27	Very low	31	Very low	113 Å²	113	140 Å²	140	79%	0.79	77%	0.771	S	S	*	*			cis	-147.5	173.2	8.8	-72.1	0	0	0	0	112.2
453	V	28.8	Very low	30.9	Very low	135 Å²	135	138.4 Å²	138.4	82%	0.818	77%	0.765	S	S	*	*			trans	-127.9	144.8	176.4	173.7	0	0	0	0	111.8
454	S	24.3	Very low	31.1	Very low	128 Å²	128	141.9 Å²	141.9	90%	0.895	77%	0.771	S	S	*	*			trans	-147.7	156.2	168.1	-79.8	0	0	0	0	111.8
455	Q	33.1	Very low	31.4	Very low	169 Å²	169	139.9 Å²	139.9	79%	0.79	77%	0.773	S	S	*	*			trans	-154.8	151.5	-167.6	-159.7	-175.8	12.2	0	0	113.5
456	L	32.7	Very low	32.6	Very low	128 Å²	128	140.6 Å²	140.6	67%	0.67	78%	0.775	S	S	*	*			trans	68.9	155.9	161	-88.7	160	0	0	0	117.2
457	P	45.4	Very low	32.7	Very low	120 Å²	120	138.1 Å²	138.1	78%	0.779	78%	0.777	S	S	*	*				-137.2	169.1	72.7	40.7	-25.8	0	0	0	116.7
458	P	51.4	Low	32.7	Very low	104 Å²	104	137.1 Å²	137.1	68%	0.675	78%	0.777	S	S	*	*			trans	-111.7	175.9	171	41.4	-31.3	0	0	0	113.4
459	Q	28.4	Very low	32.6	Very low	195 Å²	195	134.9 Å²	134.9	91%	0.911	77%	0.773	S	S	*	*			trans	-149.8	164.2	154	-87.8	-139.5	2	0	0	112.4
460	T	29.2	Very low	32.8	Very low	126 Å²	126	138.6 Å²	138.6	77%	0.773	78%	0.779	S	S	*	*			trans	-124.6	149.9	-166.4	47.6	0	0	0	0	112.8
461	Q	29.2	Very low	32.7	Very low	203 Å²	203	133.5 Å²	133.5	95%	0.949	77%	0.771	S	S	*	*			trans	-139.2	159.9	154.3	-74.8	-164.8	-26.9	0	0	110.3
462	D	28.4	Very low	32.9	Very low	147 Å²	147	137.2 Å²	137.2	79%	0.786	78%	0.781	S	S	*	*			trans	-146	134.7	-164.7	-178.9	-18.2	0	0	0	108.5
463	L	28.2	Very low	32.9	Very low	140 Å²	140	134.9 Å²	134.9	73%	0.733	78%	0.775	S	S	*	*			trans	-168.5	126.7	151.6	-132	71.6	0	0	0	114.2
464	Q	30.3	Very low	33.1	Very low	166 Å²	166	133.9 Å²	133.9	78%	0.776	77%	0.774	S	S	*	*			trans	67.3	118.6	142.1	-78.3	166	-0.9	0	0	123.4
465	D	36.3	Very low	33.4	Very low	148 Å²	148	134.1 Å²	134.1	79%	0.791	76%	0.764	S	S	*	*			trans	-54.3	168.9	149.3	-115.3	-44.1	0	0	0	113
466	P	53.5	Low	33.5	Very low	118 Å²	118	133.6 Å²	133.6	77%	0.766	76%	0.762	S	S	*	*			cis	-152.5	150.9	49.7	41.4	-19.3	0	0	0	121.5
467	A	30.8	Very low	33.4	Very low	76 Å²	76	131.5 Å²	131.5	63%	0.628	76%	0.757	S	S	*	*				78.2	157.2	129.9	0	0	0	0	0	123.9
468	N	30.6	Very low	32.7	Very low	145 Å²	145	133.6 Å²	133.6	78%	0.775	76%	0.761	S	S	*	*			trans	71.2	138.7	161.7	-70.2	-2	0	0	0	119.7
469	T	30.6	Very low	31.8	Very low	103 Å²	103	133.6 Å²	133.6	63%	0.632	76%	0.764	S	S	*	*			cis	176.1	133.5	-32.7	23	0	0	0	0	107.1
470	I	31.8	Very low	32.1	Very low	170 Å²	170	128.4 Å²	128.4	87%	0.872	75%	0.754	S	S	*	*			trans	63.8	136.7	159.1	-53.5	159.4	0	0	0	115.4
471	G	29.2	Very low	32.6	Very low	58 Å²	58	126.9 Å²	126.9	60%	0.598	75%	0.754	S	S	*	*			cis	139.2	136.1	-2.3	0	0	0	0	0	111.7
472	L	31	Very low	32.6	Very low	190 Å²	190	127.1 Å²	127.1	100%	0.995	75%	0.753	S	S	*	*			trans	57.6	134.1	168.6	-54.7	169.1	0	0	0	117.1
473	G	27.9	Very low	33	Very low	64 Å²	64	125.7 Å²	125.7	66%	0.66	75%	0.749	S	S	*	*			cis	-160.3	178.9	2.9	0	0	0	0	0	109.9
474	S	32.1	Very low	33.2	Very low	114 Å²	114	124.9 Å²	124.9	80%	0.797	76%	0.755	S	S	*	*				58.1	124.9	86.6	-145.5	0	0	0	0	113.6
475	L	31.9	Very low	33.4	Very low	133 Å²	133	122 Å²	122	70%	0.696	75%	0.754	S	S	*	*			cis	-168.6	173.4	2.6	-127.8	177.4	0	0	0	109.6
476	H	35.2	Very low	33.2	Very low	158 Å²	158	123.1 Å²	123.1	73%	0.731	76%	0.759	S	S	*	*			trans	65.6	159.7	160.4	-72.8	-56.6	0	0	0	118.2
477	S	29.1	Very low	32.3	Very low	83 Å²	83	122 Å²	122	58%	0.58	75%	0.754	S	S	*	*			cis	-167.4	151.6	-17.9	-113.4	0	0	0	0	111.2
478	L	31.7	Very low	32.4	Very low	165 Å²	165	125.9 Å²	125.9	86%	0.864	77%	0.77	S	S	*	*			trans	63.8	166.4	151.3	-63.4	170.3	0	0	0	117.4
479	S	32.5	Very low	32.4	Very low	103 Å²	103	124 Å²	124	72%	0.72	77%	0.768	S	S	*	*			cis	-166.9	174.1	-31.8	-174.6	0	0	0	0	109.1
480	A	33.8	Very low	32.6	Very low	87 Å²	87	124.5 Å²	124.5	72%	0.719	77%	0.771	S	S	*	*			trans	56.8	109.8	169	0	0	0	0	0	117.2
481	A	40.9	Very low	32.7	Very low	93 Å²	93	122.9 Å²	122.9	77%	0.769	77%	0.769	S	S	*	*				67.2	115.1	62.4	0	0	0	0	0	114.6
482	F	28.7	Very low	33	Very low	209 Å²	209	127.9 Å²	127.9	92%	0.917	78%	0.781	S	S	*	*			trans	-147.1	149.9	154.5	-120.5	-80.6	0	0	0	111.2
483	T	37.3	Very low	33.5	Very low	117 Å²	117	124.9 Å²	124.9	72%	0.718	77%	0.773	S	S	*	*			trans	-95.9	149.2	179.9	50.9	0	0	0	0	111.8
484	S	32.6	Very low	33.9	Very low	122 Å²	122	133.4 Å²	133.4	85%	0.853	79%	0.786	S	S	*	*				-174.2	157.2	124	-84.3	0	0	0	0	113.1
485	S	34	Very low	34.1	Very low	107 Å²	107	137.4 Å²	137.4	75%	0.748	79%	0.789	S	S	*	*			trans	-83.2	157.6	175.3	49.9	0	0	0	0	112.6
486	L	32	Very low	34.4	Very low	171 Å²	171	139.2 Å²	139.2	90%	0.895	79%	0.794	S	S	*	*				-166.8	171.4	122.7	-104.9	161.7	0	0	0	111.5
487	S	34.3	Very low	34.3	Very low	94 Å²	94	138 Å²	138	66%	0.657	79%	0.788	S	S	*	*			trans	-115	141.6	-163.2	55.5	0	0	0	0	113.8
488	T	32.7	Very low	34.7	Very low	157 Å²	157	139 Å²	139	96%	0.963	80%	0.801	S	S	*	*			trans	-156.8	163.7	146.2	10.1	0	0	0	0	114.3
489	S	32.1	Very low	35.2	Very low	106 Å²	106	139.4 Å²	139.4	74%	0.741	80%	0.796	S	S	*	*			trans	-75.3	173.6	-174.1	-173.3	0	0	0	0	115.4
490	T	33	Very low	35.5	Very low	114 Å²	114	147.1 Å²	147.1	70%	0.699	82%	0.821	S	S	*	*			trans	64.1	105.6	151.3	-176.4	0	0	0	0	120.9
491	T	34.5	Very low	35.6	Very low	135 Å²	135	150.1 Å²	150.1	83%	0.828	83%	0.826	S	S	*	*				-165.7	158.2	104.1	14.9	0	0	0	0	112.8
492	L	36.7	Very low	35.3	Very low	164 Å²	164	153.1 Å²	153.1	86%	0.859	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-97.2	129.5	173.5	-83	162.3	0	0	0	110.9
493	P	41.6	Very low	35.7	Very low	127 Å²	127	150 Å²	150	83%	0.825	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-66.7	137.2	159.7	-20.3	34	0	0	0	111.1
494	R	36.1	Very low	35.6	Very low	243 Å²	243	151.9 Å²	151.9	92%	0.917	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-89	157	-170.9	-164.3	174	-174.4	160.3	-1	112.1
495	F	34.9	Very low	35.8	Very low	197 Å²	197	153.8 Å²	153.8	86%	0.864	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-53	134.3	170.4	-111.2	-116	0	0	0	112.7
496	H	37.8	Very low	35.9	Very low	172 Å²	172	156.9 Å²	156.9	80%	0.796	84%	0.835	S	S	*	*			trans	-139.2	104.6	147.5	-122.1	-89.1	0	0	0	104.7
497	Q	34.3	Very low	36.2	Very low	132 Å²	132	155.9 Å²	155.9	62%	0.617	83%	0.83	S	S	*	*				60.4	83.8	71.9	-164.7	177.3	0.2	0	0	112.1	F499	Q497-F499 HydrophobicContact CG-CD2 3.9Å; Q497-F499 HydrophobicContact CG-CE2 4.21Å
498	A	38.3	Very low	36.4	Very low	104 Å²	104	160.7 Å²	160.7	86%	0.86	84%	0.844	S	S	*	*			trans	-119.4	120.3	152.5	0	0	0	0	0	106.7
499	F	41.5	Very low	36.7	Very low	173 Å²	173	161 Å²	161	76%	0.759	83%	0.834	S	S	*	*			trans	-101.1	133.3	177.7	-102.7	-103.4	0	0	0	109.1	Q497	Q497-F499 HydrophobicContact CG-CD2 3.9Å; Q497-F499 HydrophobicContact CG-CE2 4.21Å
500	Q	39	Very low	37.1	Very low	265 Å²	265	166 Å²	166	100%	1.238	84%	0.842	S	S	*	*				-163	0	120.6	-107.3	175.4	-5.7	0	0	109.6

Retrieved 500 of 500 residues in 143.2 ms (Link to these results)

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