A0A5K4FFN2_SCHMA Loading...

Twik family of potassium channels-related

AlphaFold DB , UniProt , Accession A0A5K4FFN2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 712 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	34.1	Very low	227 Å²	227	157.5 Å²	157.5	100%	1.118	80%	0.804	S	S	*	*				0	94.5	0	-63.2	172.3	178.2	0	0	105.6
2	I	35.8	Very low	33.3	Very low	172 Å²	172	164.2 Å²	164.2	88%	0.882	81%	0.812	S	S	*	*				72.7	112.3	87.9	-62.5	158.1	0	0	0	109.6
3	G	35.6	Very low	33.7	Very low	61 Å²	61	161.3 Å²	161.3	63%	0.629	81%	0.813	S	S	*	*			cis	-179.3	175	-3.9	0	0	0	0	0	113.8
4	N	34.5	Very low	33.7	Very low	137 Å²	137	163.9 Å²	163.9	73%	0.733	82%	0.817	S	S	*	*			trans	61.4	127.3	163.7	-63.7	33.7	0	0	0	117.1
5	Q	33.4	Very low	33.8	Very low	151 Å²	151	164.9 Å²	164.9	71%	0.706	82%	0.818	S	S	*	*				63.9	129.4	66.6	-63.3	178	-80.7	0	0	110.9
6	D	36.9	Very low	33.9	Very low	150 Å²	150	162.1 Å²	162.1	80%	0.802	81%	0.807	S	S	*	*				-141.1	172.3	56.4	-74.5	-50	0	0	0	116.3
7	H	31	Very low	34.1	Very low	164 Å²	164	160.6 Å²	160.6	76%	0.759	80%	0.802	S	S	*	*			trans	-84.2	156.3	170	-78	-115.4	0	0	0	111.6
8	H	35.3	Very low	34.2	Very low	170 Å²	170	159.7 Å²	159.7	79%	0.787	80%	0.8	S	S	*	*				-160	126.5	126.5	-116.4	-90.7	0	0	0	109.6	D10	H8-D10 IonicContact CE1-OD2 2.6Å; H8-D10 IonicContact CG-OD2 3.44Å; H8-D10 IonicContact ND1-OD2 3.44Å; H8-D10 PolarHBondContact ND1-OD2 3.5Å
9	E	28.9	Very low	34.2	Very low	179 Å²	179	157.6 Å²	157.6	84%	0.836	80%	0.8	S	S	*	*			trans	-91.1	137.8	158	-60.6	177.9	120.3	0	0	106.4
10	D	34	Very low	34.2	Very low	136 Å²	136	158.1 Å²	158.1	73%	0.727	80%	0.802	S	S	*	*			trans	-156.5	161.8	168.6	-93.7	-56.7	0	0	0	112.2	H8	H8-D10 IonicContact CE1-OD2 2.6Å; H8-D10 IonicContact CG-OD2 3.44Å; H8-D10 IonicContact ND1-OD2 3.44Å; H8-D10 PolarHBondContact ND1-OD2 3.5Å
11	E	34	Very low	34.1	Very low	185 Å²	185	155.9 Å²	155.9	86%	0.864	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-83.8	171.9	-148.7	-59.2	-174.1	100.7	0	0	118.3
12	W	24.7	Very low	33.8	Very low	238 Å²	238	150.3 Å²	150.3	90%	0.902	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-80.9	140.5	171.2	-77	52.6	0	0	0	112.7
13	P	38.3	Very low	33.7	Very low	127 Å²	127	146 Å²	146	83%	0.825	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-76.9	124.2	163.1	31.4	-32	0	0	0	111.3
14	K	33.3	Very low	33.6	Very low	198 Å²	198	151 Å²	151	86%	0.861	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-97.6	137.1	161.8	-67.9	173.5	-178	166	0	109.2
15	Q	36.6	Very low	33.7	Very low	178 Å²	178	149.2 Å²	149.2	83%	0.832	77%	0.77	S	S	*	*			trans	-154.6	104.6	147.9	-136.4	166.4	7.8	0	0	113.2
16	D	35.3	Very low	33.7	Very low	120 Å²	120	146.5 Å²	146.5	64%	0.642	77%	0.768	S	S	*	*			trans	37.8	125.8	135.2	-43.5	-31.9	0	0	0	120.6
17	N	37.3	Very low	33.7	Very low	137 Å²	137	146.3 Å²	146.3	73%	0.733	76%	0.762	S	S	*	*				-169	116.7	93.2	-101.9	-80.5	0	0	0	114.1
18	N	35	Very low	34	Very low	144 Å²	144	142.6 Å²	142.6	77%	0.77	75%	0.751	S	S	*	*			trans	59	127.1	148.4	-57.9	-29.2	0	0	0	122.4
19	P	35.1	Very low	34.2	Very low	121 Å²	121	138.9 Å²	138.9	79%	0.786	74%	0.74	S	S	*	*			trans	-99.3	150.9	176	38.3	-33.6	0	0	0	114.3
20	I	33.8	Very low	34.8	Very low	167 Å²	167	133.8 Å²	133.8	86%	0.856	73%	0.725	S	S	*	*			trans	-136.9	138.6	164	-63.3	-175.5	0	0	0	108.4
21	P	32.2	Very low	35.2	Very low	112 Å²	112	134.3 Å²	134.3	73%	0.727	72%	0.72	S	S	*	*			trans	-101.6	173.4	-160.4	39.4	-38.2	0	0	0	116.4
22	S	28.1	Very low	35.6	Very low	110 Å²	110	131.6 Å²	131.6	77%	0.769	71%	0.708	S	S	*	*			trans	77.7	122.7	156.6	77.6	0	0	0	0	120
23	S	35.3	Very low	36.5	Very low	82 Å²	82	123.3 Å²	123.3	57%	0.573	69%	0.686	S	S	*	*				172.7	147.6	103.9	53.3	0	0	0	0	112	N25	S23-N25 WeakPolarHBondContact CB-ND2 3.36Å; S23-N25 PolarHBondContact O-N 3.06Å; S23-N25 PolarHBondContact OG-ND2 3.43Å
24	N	33.7	Very low	37.2	Very low	164 Å²	164	122.3 Å²	122.3	88%	0.877	67%	0.67	S	S	*	*			trans	-83	49.8	-166.8	-62.5	-14.9	0	0	0	113.9
25	N	34.8	Very low	37.9	Very low	100 Å²	100	116.8 Å²	116.8	54%	0.535	66%	0.655	S	S	.	*			trans	-104.6	7.6	-165.6	-71.5	-45.5	0	0	0	115.9	S23 T28	S23-N25 WeakPolarHBondContact CB-ND2 3.36Å; S23-N25 PolarHBondContact O-N 3.06Å; S23-N25 PolarHBondContact OG-ND2 3.43Å; N25-T28 PolarHBondContact O-OG1 3.07Å
26	S	35.1	Very low	38.8	Very low	95 Å²	95	114.2 Å²	114.2	66%	0.664	64%	0.643	S	S	*	*	H	α-helix	trans	-87.6	-28.2	-179.1	50.6	0	0	0	0	114.6	T29	S26-T29 PolarHBondContact O-OG1 3.14Å
27	E	36.6	Very low	40.2	Very low	146 Å²	146	115.8 Å²	115.8	68%	0.682	64%	0.644	S	S	*	*	H	α-helix	trans	-77.5	-20.1	177.7	-77	-159.1	125	0	0	114.2	S30	E27-S30 PolarHBondContact O-OG 3.39Å
28	T	37.1	Very low	42.1	Very low	85 Å²	85	115.2 Å²	115.2	52%	0.521	64%	0.635	S	S	.	*	H	α-helix	trans	-79	-34	176.5	47.1	0	0	0	0	111.8	N25 H32	N25-T28 PolarHBondContact O-OG1 3.07Å; T28-H32 PolarHBondContact O-N 3.06Å
29	T	39.1	Very low	44.6	Very low	92 Å²	92	112.1 Å²	112.1	56%	0.564	62%	0.618	S	S	*	*	H	α-helix	trans	-73.6	-31.4	-178.4	49.1	0	0	0	0	113.4	S26 H32 S33	S26-T29 PolarHBondContact O-OG1 3.14Å; T29-H32 PolarHBondContact O-N 3.3Å; T29-S33 PolarHBondContact O-N 3.48Å
30	S	41.2	Very low	47.1	Very low	73 Å²	73	110.1 Å²	110.1	51%	0.51	61%	0.605	S	S	.	*	H	α-helix	trans	-65.4	-44.6	174.2	67.3	0	0	0	0	112.2	E27 H32 S33 E34	E27-S30 PolarHBondContact O-OG 3.39Å; S30-H32 VanDerWaalsContact C-N 3.3Å; S30-H32 PolarHBondContact O-N 3.15Å; S30-S33 WeakPolarHBondContact O-CB 3.3Å; S30-S33 PolarHBondContact O-N 2.9Å; S30-S33 VanDerWaalsContact O-N 3.16Å; S30-E34 PolarHBondContact O-N 3.37Å
31	K	42.6	Very low	49.7	Very low	146 Å²	146	104 Å²	104	64%	0.635	57%	0.574	S	S	*	*	H	α-helix	trans	-60.6	-37.7	176.3	-67.6	173.6	-176.6	168.3	0	112.1	S33 E34 C35	K31-S33 PolarHBondContact O-N 3.33Å; K31-E34 PolarHBondContact O-N 2.91Å; K31-C35 PolarHBondContact O-N 3.17Å
32	H	43.5	Very low	52.4	Low	129 Å²	129	104.3 Å²	104.3	60%	0.597	56%	0.564	S	S	*	*	H	α-helix	trans	-63.5	-39.9	175.8	-129.9	-79.5	0	0	0	112.5	T28 T29 S30 E34 C35 H36	T28-H32 PolarHBondContact O-N 3.06Å; T29-H32 PolarHBondContact O-N 3.3Å; S30-H32 VanDerWaalsContact C-N 3.3Å; S30-H32 PolarHBondContact O-N 3.15Å; H32-E34 VanDerWaalsContact C-N 3.34Å; H32-E34 PolarHBondContact O-N 3.46Å; H32-C35 WeakPolarHBondContact O-CB 3.39Å; H32-C35 PolarHBondContact O-N 2.94Å; H32-H36 AromaticContact ND1-NE2 3.89Å; H32-H36 PolarHBondContact O-CD2 3.14Å; H32-H36 PolarHBondContact O-N 3.01Å
33	S	43.6	Very low	55.5	Low	63 Å²	63	103.9 Å²	103.9	44%	0.441	55%	0.553	S	S	.	*	H	α-helix	trans	-63.9	-35.7	177.8	-173	0	0	0	0	113.1	T29 S30 K31	T29-S33 PolarHBondContact O-N 3.48Å; S30-S33 WeakPolarHBondContact O-CB 3.3Å; S30-S33 PolarHBondContact O-N 2.9Å; S30-S33 VanDerWaalsContact O-N 3.16Å; K31-S33 PolarHBondContact O-N 3.33Å
34	E	52.1	Low	58.3	Low	107 Å²	107	102.6 Å²	102.6	50%	0.5	54%	0.537	S	S	.	.	H	α-helix	trans	-73.4	-34.1	177.9	-153	-170.9	140.2	0	0	112.6	S30 K31 H32 K37 K38	S30-E34 PolarHBondContact O-N 3.37Å; K31-E34 PolarHBondContact O-N 2.91Å; H32-E34 VanDerWaalsContact C-N 3.34Å; H32-E34 PolarHBondContact O-N 3.46Å; E34-K37 PolarHBondContact O-N 3.06Å; E34-K38 PolarHBondContact O-N 3.45Å; E34-K38 VanDerWaalsContact OE1-CE 3.29Å; E34-K38 WeakPolarHBondContact OE1-CE 3.13Å; E34-K38 IonicContact OE1-NZ 2.72Å; E34-K38 PolarHBondContact OE1-NZ 3.23Å
35	C	48.2	Very low	61.1	Low	81 Å²	81	97.4 Å²	97.4	55%	0.547	51%	0.509	S	S	.	.	H	α-helix	trans	-59.2	-48	176.6	-171.5	0	0	0	0	112.1	K31 H32 K37 K38 L39	K31-C35 PolarHBondContact O-N 3.17Å; H32-C35 WeakPolarHBondContact O-CB 3.39Å; H32-C35 PolarHBondContact O-N 2.94Å; C35-K37 PolarHBondContact O-N 2.95Å; C35-K37 VanDerWaalsContact O-N 3.14Å; C35-K38 PolarHBondContact O-N 2.81Å; C35-L39 PolarHBondContact O-N 3.05Å
36	H	55.8	Low	63.9	Low	125 Å²	125	97.1 Å²	97.1	58%	0.579	51%	0.505	S	S	*	.	H	α-helix	trans	-59.8	-26.1	178.7	-81.9	-80.8	0	0	0	114	H32 P40	H32-H36 AromaticContact ND1-NE2 3.89Å; H32-H36 PolarHBondContact O-CD2 3.14Å; H32-H36 PolarHBondContact O-N 3.01Å; H36-P40 VanDerWaalsContact O-CD 3.27Å; H36-P40 WeakPolarHBondContact O-CD 3.42Å
37	K	64.5	Low	66.8	Low	153 Å²	153	95.1 Å²	95.1	67%	0.665	49%	0.494	S	S	*	.	H	α-helix	trans	-77.9	-26.4	176.7	-64	175.8	-173.3	175.8	0	112.9	E34 C35	E34-K37 PolarHBondContact O-N 3.06Å; C35-K37 PolarHBondContact O-N 2.95Å; C35-K37 VanDerWaalsContact O-N 3.14Å
38	K	77.9	Confident	69.6	Low	124 Å²	124	88.6 Å²	88.6	54%	0.539	46%	0.463	S	S	.	.	H	α-helix	trans	-90.6	-27.1	179.7	-68.7	172	174.7	171.4	0	112.7	E34 C35 L41 F42	E34-K38 PolarHBondContact O-N 3.45Å; E34-K38 VanDerWaalsContact OE1-CE 3.29Å; E34-K38 WeakPolarHBondContact OE1-CE 3.13Å; E34-K38 IonicContact OE1-NZ 2.72Å; E34-K38 PolarHBondContact OE1-NZ 3.23Å; C35-K38 PolarHBondContact O-N 2.81Å; K38-L41 PolarHBondContact O-N 3.07Å; K38-L41 VanDerWaalsContact O-N 3.16Å; K38-F42 PolarHBondContact O-N 3.23Å
39	L	85.5	Confident	72.3	Confident	79 Å²	79	88.4 Å²	88.4	41%	0.414	46%	0.459	S	S	.	.	H	α-helix	trans	-48.9	-49.6	176.3	-178.1	61.5	0	0	0	115.1	C35 L41 F42 L43	C35-L39 PolarHBondContact O-N 3.05Å; L39-L41 VanDerWaalsContact C-N 3.3Å; L39-L41 PolarHBondContact O-N 2.91Å; L39-F42 PolarHBondContact O-N 3.5Å; L39-L43 HydrophobicContact CD1-CD1 4.04Å; L39-L43 HydrophobicContact CD1-CG 4.04Å; L39-L43 HydrophobicContact CG-CD1 3.99Å; L39-L43 HydrophobicContact CG-CG 4.41Å; L39-L43 WeakPolarHBondContact O-CG 3.2Å; L39-L43 PolarHBondContact O-N 3.31Å
40	P	88.8	Confident	75	Confident	79 Å²	79	86.9 Å²	86.9	51%	0.513	45%	0.452	S	S	.	.	H	α-helix	trans	-64.8	-31.6	-179.6	24.6	-34.8	0	0	0	113.4	H36 F44	H36-P40 VanDerWaalsContact O-CD 3.27Å; H36-P40 WeakPolarHBondContact O-CD 3.42Å; P40-F44 WeakPolarHBondContact O-CB 3.12Å; P40-F44 PolarHBondContact O-N 3.24Å
41	L	88	Confident	77.6	Confident	38 Å²	38	85.4 Å²	85.4	20%	0.199	44%	0.436	C	S	.	.	H	α-helix	trans	-69.5	-44.8	173.4	172.1	57.3	0	0	0	111.1	K38 L39 L43 F44 I45 V211 L215	K38-L41 PolarHBondContact O-N 3.07Å; K38-L41 VanDerWaalsContact O-N 3.16Å; L39-L41 VanDerWaalsContact C-N 3.3Å; L39-L41 PolarHBondContact O-N 2.91Å; L41-L43 PolarHBondContact O-N 2.91Å; L41-F44 PolarHBondContact O-N 3.1Å; L41-I45 HydrophobicContact CD1-CD1 3.71Å; L41-I45 HydrophobicContact CD1-CG1 3.99Å; L41-I45 HydrophobicContact CG-CD1 3.9Å; L41-I45 WeakPolarHBondContact O-CG1 3.46Å; L41-I45 PolarHBondContact O-N 3.08Å; L41-V211 HydrophobicContact CD1-CB 4.44Å; L41-V211 HydrophobicContact CD1-CG1 3.7Å; L41-V211 HydrophobicContact CD2-CG1 4.28Å; L41-L215 HydrophobicContact CD2-CD1 4.08Å; L41-L215 HydrophobicContact CD2-CD2 4.24Å
42	F	90	Very high	80.1	Confident	120 Å²	120	78.6 Å²	78.6	53%	0.526	41%	0.407	S	S	.	.	H	α-helix	trans	-58.9	-46.8	175.7	177.3	-100.4	0	0	0	111.6	K38 L39 F44 I45 M46	K38-F42 PolarHBondContact O-N 3.23Å; L39-F42 PolarHBondContact O-N 3.5Å; F42-F44 VanDerWaalsContact C-N 3.32Å; F42-F44 PolarHBondContact O-N 3.28Å; F42-I45 PolarHBondContact O-N 3.31Å; F42-M46 HydrophobicContact CD1-CG 4.27Å; F42-M46 HydrophobicContact CD2-CG 4.48Å; F42-M46 HydrophobicContact CE1-CG 3.81Å; F42-M46 HydrophobicContact CE2-CG 4.04Å; F42-M46 HydrophobicContact CE2-SD 4.22Å; F42-M46 HydrophobicContact CZ-CG 3.68Å; F42-M46 HydrophobicContact CZ-SD 4.03Å; F42-M46 WeakPolarHBondContact O-CG 3.38Å; F42-M46 PolarHBondContact O-N 3.04Å
43	L	93	Very high	82.6	Confident	101 Å²	101	74.5 Å²	74.5	53%	0.529	39%	0.392	S	S	.	.	H	α-helix	trans	-61.5	-38.2	176.2	-68.2	172.7	0	0	0	112.3	L39 L41 M46 A47	L39-L43 HydrophobicContact CD1-CD1 4.04Å; L39-L43 HydrophobicContact CD1-CG 4.04Å; L39-L43 HydrophobicContact CG-CD1 3.99Å; L39-L43 HydrophobicContact CG-CG 4.41Å; L39-L43 WeakPolarHBondContact O-CG 3.2Å; L39-L43 PolarHBondContact O-N 3.31Å; L41-L43 PolarHBondContact O-N 2.91Å; L43-M46 PolarHBondContact O-N 3.36Å; L43-A47 WeakPolarHBondContact O-CB 3.17Å; L43-A47 PolarHBondContact O-N 3.14Å
44	F	93.4	Very high	85.1	Confident	55 Å²	55	76.2 Å²	76.2	24%	0.241	40%	0.396	C	S	.	.	H	α-helix	trans	-67.1	-41.4	175.5	-176.2	-98.2	0	0	0	112.6	P40 L41 F42 A47 Y48 M204 I207 L208	P40-F44 WeakPolarHBondContact O-CB 3.12Å; P40-F44 PolarHBondContact O-N 3.24Å; L41-F44 PolarHBondContact O-N 3.1Å; F42-F44 VanDerWaalsContact C-N 3.32Å; F42-F44 PolarHBondContact O-N 3.28Å; F44-A47 PolarHBondContact O-N 2.95Å; F44-Y48 WeakPolarHBondContact O-CB 3.4Å; F44-Y48 PolarHBondContact O-N 3.07Å; F44-M204 HydrophobicContact CE2-CG 4.11Å; F44-M204 HydrophobicContact CZ-CG 3.75Å; F44-I207 HydrophobicContact CE1-CG2 3.98Å; F44-I207 HydrophobicContact CE2-CG2 4.05Å; F44-I207 HydrophobicContact CZ-CB 3.95Å; F44-I207 HydrophobicContact CZ-CG2 3.51Å; F44-L208 HydrophobicContact CD1-CD1 4.29Å; F44-L208 HydrophobicContact CE1-CB 3.94Å; F44-L208 HydrophobicContact CE1-CD1 4.14Å
45	I	92.9	Very high	87.2	Confident	55 Å²	55	71.2 Å²	71.2	28%	0.282	37%	0.373	S	S	.	.	H	α-helix	trans	-63.8	-43.4	174.8	-69.2	165.9	0	0	0	110.7	L41 F42 A47 Y48 I49 L208	L41-I45 HydrophobicContact CD1-CD1 3.71Å; L41-I45 HydrophobicContact CD1-CG1 3.99Å; L41-I45 HydrophobicContact CG-CD1 3.9Å; L41-I45 WeakPolarHBondContact O-CG1 3.46Å; L41-I45 PolarHBondContact O-N 3.08Å; F42-I45 PolarHBondContact O-N 3.31Å; I45-A47 VanDerWaalsContact C-N 3.34Å; I45-A47 PolarHBondContact O-N 2.95Å; I45-Y48 WeakPolarHBondContact O-CB 3.29Å; I45-Y48 PolarHBondContact O-N 2.96Å; I45-I49 HydrophobicContact CG2-CD1 3.83Å; I45-I49 WeakPolarHBondContact O-CG1 3.31Å; I45-I49 PolarHBondContact O-N 2.93Å; I45-L208 HydrophobicContact CG1-CD1 4Å
46	M	94.2	Very high	89.4	Confident	94 Å²	94	67.3 Å²	67.3	46%	0.463	35%	0.347	S	S	.	.	H	α-helix	trans	-64.5	-37.6	175.9	-69	-56.6	-61.5	0	0	112.3	F42 L43 S50	F42-M46 HydrophobicContact CD1-CG 4.27Å; F42-M46 HydrophobicContact CD2-CG 4.48Å; F42-M46 HydrophobicContact CE1-CG 3.81Å; F42-M46 HydrophobicContact CE2-CG 4.04Å; F42-M46 HydrophobicContact CE2-SD 4.22Å; F42-M46 HydrophobicContact CZ-CG 3.68Å; F42-M46 HydrophobicContact CZ-SD 4.03Å; F42-M46 WeakPolarHBondContact O-CG 3.38Å; F42-M46 PolarHBondContact O-N 3.04Å; L43-M46 PolarHBondContact O-N 3.36Å; M46-S50 VanDerWaalsContact O-CB 3.27Å; M46-S50 WeakPolarHBondContact O-CB 3.37Å; M46-S50 PolarHBondContact O-N 3Å
47	A	94.9	Very high	91.3	Very high	52 Å²	52	65.2 Å²	65.2	43%	0.43	34%	0.339	S	S	.	.	H	α-helix	trans	-65.8	-40.8	173.2	0	0	0	0	0	112.2	L43 F44 I45 S50 F51	L43-A47 WeakPolarHBondContact O-CB 3.17Å; L43-A47 PolarHBondContact O-N 3.14Å; F44-A47 PolarHBondContact O-N 2.95Å; I45-A47 VanDerWaalsContact C-N 3.34Å; I45-A47 PolarHBondContact O-N 2.95Å; A47-S50 PolarHBondContact O-N 2.98Å; A47-F51 WeakPolarHBondContact O-CB 3.31Å; A47-F51 PolarHBondContact O-N 3.02Å
48	Y	95	Very high	92.8	Very high	9 Å²	9	60.1 Å²	60.1	4%	0.035	32%	0.323	C	S	.	.	H	α-helix	trans	-60.8	-48.5	174.9	-177.7	-85.1	0	0	0	111.9	F44 I45 F51 C52 I175 M204 N205 L208	F44-Y48 WeakPolarHBondContact O-CB 3.4Å; F44-Y48 PolarHBondContact O-N 3.07Å; I45-Y48 WeakPolarHBondContact O-CB 3.29Å; I45-Y48 PolarHBondContact O-N 2.96Å; Y48-F51 PolarHBondContact O-N 3.13Å; Y48-C52 PolarHBondContact O-N 2.81Å; Y48-C52 PolarHBondContact O-SG 3.46Å; Y48-I175 HydrophobicContact CE2-CD1 4.12Å; Y48-I175 WeakPolarHBondContact OH-CD1 3.22Å; Y48-M204 HydrophobicContact CD2-CE 3.47Å; Y48-M204 VanDerWaalsContact CD2-CE 3.47Å; Y48-M204 HydrophobicContact CD2-CG 4Å; Y48-M204 HydrophobicContact CD2-SD 4.02Å; Y48-M204 HydrophobicContact CE2-CE 3.96Å; Y48-M204 HydrophobicContact CG-CE 4.15Å; Y48-N205 HydrophobicContact CE2-CB 4.06Å; Y48-N205 PolarHBondContact OH-OD1 2.85Å; Y48-L208 HydrophobicContact CD1-CD2 3.77Å; Y48-L208 HydrophobicContact CD2-CB 4.31Å; Y48-L208 HydrophobicContact CD2-CD2 3.71Å; Y48-L208 HydrophobicContact CE1-CD2 3.69Å; Y48-L208 HydrophobicContact CE2-CB 4.33Å; Y48-L208 HydrophobicContact CE2-CD2 3.64Å; Y48-L208 HydrophobicContact CG-CD2 3.79Å
49	I	94.6	Very high	93.5	Very high	82 Å²	82	54.2 Å²	54.2	42%	0.421	30%	0.297	S	S	.	.	H	α-helix	trans	-62	-45.4	177.2	-66.9	165.6	0	0	0	110.4	I45 F51 C52 C53	I45-I49 HydrophobicContact CG2-CD1 3.83Å; I45-I49 WeakPolarHBondContact O-CG1 3.31Å; I45-I49 PolarHBondContact O-N 2.93Å; I49-F51 PolarHBondContact O-N 3.01Å; I49-C52 PolarHBondContact O-N 2.91Å; I49-C53 PolarHBondContact O-N 2.91Å; I49-C53 PolarHBondContact O-SG 2.93Å; I49-C53 VanDerWaalsContact O-SG 3.35Å
50	S	95.2	Very high	93.8	Very high	60 Å²	60	51.2 Å²	51.2	42%	0.42	28%	0.282	S	S	.	.	H	α-helix	trans	-58.6	-45.8	176.6	-175.9	0	0	0	0	112.1	M46 A47 C52 C53 L54	M46-S50 VanDerWaalsContact O-CB 3.27Å; M46-S50 WeakPolarHBondContact O-CB 3.37Å; M46-S50 PolarHBondContact O-N 3Å; A47-S50 PolarHBondContact O-N 2.98Å; S50-C52 PolarHBondContact O-N 2.78Å; S50-C53 PolarHBondContact O-N 3.4Å; S50-L54 WeakPolarHBondContact O-CB 3.37Å; S50-L54 VanDerWaalsContact O-CG 3.26Å; S50-L54 WeakPolarHBondContact O-CG 3.41Å; S50-L54 PolarHBondContact O-N 3.35Å
51	F	96.1	Very high	94	Very high	42 Å²	42	53.2 Å²	53.2	18%	0.184	29%	0.288	C	S	.	.	H	α-helix	trans	-59.5	-44.5	175.6	177.7	-88.4	0	0	0	112.2	A47 Y48 I49 L54 G55 L197 V200 M204	A47-F51 WeakPolarHBondContact O-CB 3.31Å; A47-F51 PolarHBondContact O-N 3.02Å; Y48-F51 PolarHBondContact O-N 3.13Å; I49-F51 PolarHBondContact O-N 3.01Å; F51-L54 PolarHBondContact O-N 3.38Å; F51-G55 PolarHBondContact O-N 3.1Å; F51-L197 HydrophobicContact CD1-CD1 4.39Å; F51-L197 HydrophobicContact CE1-CD1 3.66Å; F51-L197 HydrophobicContact CE1-CG 4.3Å; F51-L197 HydrophobicContact CE2-CD1 4.2Å; F51-L197 HydrophobicContact CZ-CD1 3.56Å; F51-L197 HydrophobicContact CZ-CG 4.29Å; F51-L197 WeakPolarHBondContact CZ-O 3.37Å; F51-V200 HydrophobicContact CE2-CB 4.04Å; F51-V200 HydrophobicContact CE2-CG1 3.65Å; F51-V200 HydrophobicContact CZ-CB 3.95Å; F51-V200 HydrophobicContact CZ-CG1 3.93Å; F51-M204 HydrophobicContact CB-CE 3.85Å; F51-M204 HydrophobicContact CB-SD 4.47Å; F51-M204 HydrophobicContact CD1-CE 3.29Å; F51-M204 HydrophobicContact CD2-CE 4.33Å; F51-M204 HydrophobicContact CE1-CE 3.84Å; F51-M204 HydrophobicContact CG-CE 3.57Å; F51-M204 HydrophobicContact CG-SD 4.46Å
52	C	95.7	Very high	94.3	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.02	29%	0.292	C	S	.	.	H	α-helix	trans	-62.4	-46	177.1	-63.4	0	0	0	0	111.8	Y48 I49 S50 G55 A56 V171 I172 I175	Y48-C52 PolarHBondContact O-N 2.81Å; Y48-C52 PolarHBondContact O-SG 3.46Å; I49-C52 PolarHBondContact O-N 2.91Å; S50-C52 PolarHBondContact O-N 2.78Å; C52-G55 PolarHBondContact O-N 3.46Å; C52-A56 VanDerWaalsContact O-CB 3.27Å; C52-A56 WeakPolarHBondContact O-CB 3.38Å; C52-A56 PolarHBondContact O-N 3.43Å; C52-V171 HydrophobicContact CB-CG1 4.3Å; C52-I172 HydrophobicContact CB-CG1 4.32Å; C52-I175 VanDerWaalsContact SG-CD1 3.56Å
53	C	95.6	Very high	94.4	Very high	43 Å²	43	48.5 Å²	48.5	29%	0.291	27%	0.268	S	S	.	.	H	α-helix	trans	-65.7	-38	178.1	-69.2	0	0	0	0	112.9	I49 S50 L57 F164	I49-C53 PolarHBondContact O-N 2.91Å; I49-C53 PolarHBondContact O-SG 2.93Å; I49-C53 VanDerWaalsContact O-SG 3.35Å; S50-C53 PolarHBondContact O-N 3.4Å; C53-L57 WeakPolarHBondContact O-CB 3.2Å; C53-L57 PolarHBondContact O-N 2.94Å; C53-F164 HydrophobicContact CB-CE2 4.49Å; C53-F164 HydrophobicContact CB-CZ 4.04Å
54	L	96	Very high	94	Very high	98 Å²	98	47.3 Å²	47.3	51%	0.513	26%	0.256	S	S	.	.	H	α-helix	trans	-67.7	-45.2	175.3	-74	167.5	0	0	0	111.4	S50 F51 A56 L57 C58	S50-L54 WeakPolarHBondContact O-CB 3.37Å; S50-L54 VanDerWaalsContact O-CG 3.26Å; S50-L54 WeakPolarHBondContact O-CG 3.41Å; S50-L54 PolarHBondContact O-N 3.35Å; F51-L54 PolarHBondContact O-N 3.38Å; L54-A56 VanDerWaalsContact C-N 3.32Å; L54-A56 PolarHBondContact O-N 3.42Å; L54-L57 PolarHBondContact O-N 3.3Å; L54-C58 PolarHBondContact O-N 2.87Å; L54-C58 PolarHBondContact O-SG 3.44Å
55	G	95.7	Very high	93.7	Very high	2 Å²	2	47.5 Å²	47.5	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-44	174.1	0	0	0	0	0	112.4	F51 C52 C58 L59	F51-G55 PolarHBondContact O-N 3.1Å; C52-G55 PolarHBondContact O-N 3.46Å; G55-C58 PolarHBondContact O-N 3.43Å; G55-L59 WeakPolarHBondContact O-CG 3.09Å; G55-L59 PolarHBondContact O-N 2.92Å
56	A	94.6	Very high	93.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.5	-43.7	176.9	0	0	0	0	0	112.6	C52 L54 L59 T60 F164 S167 V168 V171	C52-A56 VanDerWaalsContact O-CB 3.27Å; C52-A56 WeakPolarHBondContact O-CB 3.38Å; C52-A56 PolarHBondContact O-N 3.43Å; L54-A56 VanDerWaalsContact C-N 3.32Å; L54-A56 PolarHBondContact O-N 3.42Å; A56-L59 PolarHBondContact O-N 2.72Å; A56-T60 WeakPolarHBondContact O-CB 3.27Å; A56-T60 PolarHBondContact O-N 2.9Å; A56-T60 PolarHBondContact O-OG1 2.68Å; A56-F164 HydrophobicContact CB-CD2 4.4Å; A56-F164 HydrophobicContact CB-CE2 4.21Å; A56-S167 WeakPolarHBondContact O-CB 3.49Å; A56-V168 HydrophobicContact CB-CB 4.18Å; A56-V168 HydrophobicContact CB-CG2 3.41Å; A56-V168 VanDerWaalsContact CB-CG2 3.41Å; A56-V171 HydrophobicContact CB-CG2 4.41Å
57	L	95.3	Very high	92.8	Very high	81 Å²	81	43.9 Å²	43.9	42%	0.424	25%	0.247	S	C	.	.	H	α-helix	trans	-62.1	-44.9	176.2	179.6	62.1	0	0	0	111.6	C53 L54 T60 L61 F164	C53-L57 WeakPolarHBondContact O-CB 3.2Å; C53-L57 PolarHBondContact O-N 2.94Å; L54-L57 PolarHBondContact O-N 3.3Å; L57-T60 PolarHBondContact O-N 2.87Å; L57-L61 HydrophobicContact CD1-CD1 4.25Å; L57-L61 HydrophobicContact CD1-CG 4.44Å; L57-L61 HydrophobicContact CG-CD1 4.16Å; L57-L61 VanDerWaalsContact O-CG 3.28Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 3.29Å; L57-F164 HydrophobicContact CB-CE2 4.44Å
58	C	95.6	Very high	92	Very high	46 Å²	46	46.6 Å²	46.6	31%	0.311	25%	0.246	S	C	.	.	H	α-helix	trans	-61.9	-44.7	176.7	-69.8	0	0	0	0	112.1	L54 G55 L61 L62 F193	L54-C58 PolarHBondContact O-N 2.87Å; L54-C58 PolarHBondContact O-SG 3.44Å; G55-C58 PolarHBondContact O-N 3.43Å; C58-L61 PolarHBondContact O-N 3.2Å; C58-L62 VanDerWaalsContact O-CG 3.3Å; C58-L62 WeakPolarHBondContact O-CG 3.16Å; C58-L62 PolarHBondContact O-N 3.05Å; C58-F193 HydrophobicContact CB-CD1 4.18Å; C58-F193 HydrophobicContact CB-CD2 4.49Å; C58-F193 HydrophobicContact CB-CE1 3.49Å; C58-F193 VanDerWaalsContact CB-CE1 3.49Å; C58-F193 HydrophobicContact CB-CE2 3.86Å; C58-F193 HydrophobicContact CB-CZ 3.31Å
59	L	93.8	Very high	91.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.1	-40.6	176.8	-71.8	168.6	0	0	0	112.5	G55 A56 L61 L62 E63 W162 F170 V171 P185 F193 L197	G55-L59 WeakPolarHBondContact O-CG 3.09Å; G55-L59 PolarHBondContact O-N 2.92Å; A56-L59 PolarHBondContact O-N 2.72Å; L59-L61 VanDerWaalsContact C-N 3.26Å; L59-L61 PolarHBondContact O-N 3.03Å; L59-L62 PolarHBondContact O-N 3.18Å; L59-E63 WeakPolarHBondContact O-CB 3.48Å; L59-E63 PolarHBondContact O-N 3.39Å; L59-W162 HydrophobicContact CB-CE3 4.13Å; L59-W162 HydrophobicContact CB-CZ3 3.79Å; L59-W162 HydrophobicContact CD1-CZ3 4.24Å; L59-W162 HydrophobicContact CG-CZ3 4.46Å; L59-F170 HydrophobicContact CD1-CD1 3.71Å; L59-F170 HydrophobicContact CD1-CE1 3.67Å; L59-V171 HydrophobicContact CD1-CG2 3.73Å; L59-P185 HydrophobicContact CD2-CB 4.41Å; L59-F193 HydrophobicContact CD2-CD1 3.95Å; L59-F193 HydrophobicContact CG-CD1 3.97Å; L59-F193 HydrophobicContact CG-CE1 4.13Å; L59-L197 HydrophobicContact CD1-CD2 4.15Å
60	T	92.1	Very high	90.4	Very high	16 Å²	16	48.9 Å²	48.9	10%	0.098	26%	0.259	C	S	.	.	H	α-helix	trans	-55.1	-41.4	170.6	-69.9	0	0	0	0	111.4	A56 L57 R64 S167	A56-T60 WeakPolarHBondContact O-CB 3.27Å; A56-T60 PolarHBondContact O-N 2.9Å; A56-T60 PolarHBondContact O-OG1 2.68Å; L57-T60 PolarHBondContact O-N 2.87Å; T60-R64 WeakPolarHBondContact O-CB 3.26Å; T60-R64 PolarHBondContact O-N 3.33Å; T60-S167 PolarHBondContact OG1-OG 2.78Å
61	L	93.4	Very high	89.4	Confident	121 Å²	121	47.6 Å²	47.6	63%	0.634	25%	0.245	S	C	*	.	H	α-helix	trans	-73.9	-33.3	180	-70.8	168.9	0	0	0	113.3	L57 C58 L59	L57-L61 HydrophobicContact CD1-CD1 4.25Å; L57-L61 HydrophobicContact CD1-CG 4.44Å; L57-L61 HydrophobicContact CG-CD1 4.16Å; L57-L61 VanDerWaalsContact O-CG 3.28Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 3.29Å; C58-L61 PolarHBondContact O-N 3.2Å; L59-L61 VanDerWaalsContact C-N 3.26Å; L59-L61 PolarHBondContact O-N 3.03Å
62	L	92.8	Very high	88.2	Confident	57 Å²	57	47.1 Å²	47.1	30%	0.298	25%	0.245	S	C	.	.	H	α-helix	trans	-81.4	-43.6	-178.4	-69.9	170	0	0	0	113.3	C58 L59 F193	C58-L62 VanDerWaalsContact O-CG 3.3Å; C58-L62 WeakPolarHBondContact O-CG 3.16Å; C58-L62 PolarHBondContact O-N 3.05Å; L59-L62 PolarHBondContact O-N 3.18Å; L62-F193 HydrophobicContact CD1-CB 4.08Å; L62-F193 HydrophobicContact CD1-CG 4.33Å
63	E	91.9	Very high	87.2	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.009	26%	0.256	C	S	.	.	H	α-helix	trans	-96.6	-30.3	-168.9	-64.6	-65.5	143.8	0	0	113.9	L59 P65 T66 E67 W162 P185 V186 T187 G190	L59-E63 WeakPolarHBondContact O-CB 3.48Å; L59-E63 PolarHBondContact O-N 3.39Å; E63-P65 VanDerWaalsContact C-CD 3.46Å; E63-T66 PolarHBondContact O-N 3.3Å; E63-T66 VanDerWaalsContact O-N 3.08Å; E63-E67 PolarHBondContact O-N 3.06Å; E63-W162 HydrophobicContact CB-CB 4.34Å; E63-W162 HydrophobicContact CB-CD2 3.62Å; E63-W162 HydrophobicContact CB-CE3 4.32Å; E63-W162 HydrophobicContact CB-CG 3.58Å; E63-W162 HydrophobicContact CB-CZ2 4.39Å; E63-W162 HydrophobicContact CG-CD2 4.16Å; E63-W162 HydrophobicContact CG-CZ2 4.14Å; E63-P185 VanDerWaalsContact CD-CA 3.48Å; E63-P185 HydrophobicContact CG-CB 4Å; E63-P185 WeakPolarHBondContact OE1-CB 3.39Å; E63-V186 VanDerWaalsContact CD-N 3.34Å; E63-V186 PolarHBondContact OE1-N 3.29Å; E63-V186 PolarHBondContact OE2-N 2.87Å; E63-T187 VanDerWaalsContact OE1-CB 3.3Å; E63-T187 WeakPolarHBondContact OE1-CB 3.29Å; E63-T187 WeakPolarHBondContact OE1-CG2 3.27Å; E63-T187 PolarHBondContact OE1-N 2.81Å; E63-T187 PolarHBondContact OE1-OG1 3.11Å; E63-T187 PolarHBondContact OE2-N 3.24Å; E63-G190 WeakPolarHBondContact OE1-CA 3.25Å
64	R	86	Confident	86.2	Confident	75 Å²	75	52.7 Å²	52.7	28%	0.283	27%	0.266	S	S	.	.	H	α-helix	trans	-57.6	-36.1	179	-170.1	174.2	175.2	173.5	3.4	115.4	T60 T66 E67 R68 E156 W162	T60-R64 WeakPolarHBondContact O-CB 3.26Å; T60-R64 PolarHBondContact O-N 3.33Å; R64-T66 VanDerWaalsContact C-N 3.33Å; R64-E67 PolarHBondContact O-N 3.46Å; R64-R68 WeakPolarHBondContact O-CG 3.5Å; R64-R68 PolarHBondContact O-N 3.25Å; R64-R68 VanDerWaalsContact O-N 3.16Å; R64-E156 IonicContact CZ-OE2 3.23Å; R64-E156 IonicContact NE-OE2 3.9Å; R64-E156 PolarHBondContact NE-OE2 3.46Å; R64-E156 IonicContact NH2-OE2 3.66Å; R64-E156 PolarHBondContact NH2-OE2 3.31Å; R64-W162 HydrophobicContact CB-CB 4.19Å
65	P	86.7	Confident	84.9	Confident	60 Å²	60	49 Å²	49	39%	0.39	25%	0.246	S	C	.	.	H	α-helix	trans	-63.4	-38.9	173.3	24.1	-33.3	0	0	0	112.2	E63 R68 V69	E63-P65 VanDerWaalsContact C-CD 3.46Å; P65-R68 WeakPolarHBondContact O-CB 3.31Å; P65-R68 PolarHBondContact O-N 2.97Å; P65-V69 PolarHBondContact O-N 2.9Å
66	T	86.6	Confident	83.8	Confident	47 Å²	47	49.8 Å²	49.8	29%	0.288	25%	0.252	S	S	.	.	H	α-helix	trans	-69.8	-40.3	176.3	-53.9	0	0	0	0	111.7	E63 R64 R68 V69 E70 T187	E63-T66 PolarHBondContact O-N 3.3Å; E63-T66 VanDerWaalsContact O-N 3.08Å; R64-T66 VanDerWaalsContact C-N 3.33Å; T66-R68 PolarHBondContact O-N 3.27Å; T66-V69 PolarHBondContact O-N 3.47Å; T66-V69 VanDerWaalsContact O-N 3.17Å; T66-E70 PolarHBondContact O-N 2.77Å; T66-E70 VanDerWaalsContact O-N 3.13Å; T66-T187 HydrophobicContact CG2-CG2 4.4Å; T66-T187 VanDerWaalsContact OG1-CG2 3.27Å; T66-T187 WeakPolarHBondContact OG1-CG2 3.36Å
67	E	81.4	Confident	82.9	Confident	25 Å²	25	52 Å²	52	12%	0.117	27%	0.267	C	S	.	.	H	α-helix	trans	-55.9	-39	174.5	-160	-151.9	140.1	0	0	112	E63 R64 R71 S160 S161 W162	E63-E67 PolarHBondContact O-N 3.06Å; R64-E67 PolarHBondContact O-N 3.46Å; E67-R71 VanDerWaalsContact O-CB 3.32Å; E67-R71 WeakPolarHBondContact O-CB 3.4Å; E67-R71 PolarHBondContact O-N 2.81Å; E67-R71 IonicContact OE1-CZ 3.95Å; E67-R71 IonicContact OE1-NH1 2.82Å; E67-R71 PolarHBondContact OE1-NH1 2.98Å; E67-R71 IonicContact OE1-NH2 3.54Å; E67-R71 PolarHBondContact OE1-NH2 2.87Å; E67-S160 WeakPolarHBondContact OE1-CA 3.32Å; E67-S160 PolarHBondContact OE1-OG 2.9Å; E67-S160 PolarHBondContact OE2-OG 3.45Å; E67-S161 PolarHBondContact OE1-N 3.46Å; E67-S161 PolarHBondContact OE2-N 3.44Å; E67-W162 WeakPolarHBondContact OE2-CB 3.37Å; E67-W162 PolarHBondContact OE2-N 2.85Å
68	R	76.9	Confident	81.8	Confident	109 Å²	109	50.1 Å²	50.1	41%	0.411	26%	0.256	S	S	.	.	H	α-helix	trans	-65	-44.6	176.9	-75.5	168.9	161.9	167.7	-3.1	112.8	R64 P65 T66 R71 L72 E156	R64-R68 WeakPolarHBondContact O-CG 3.5Å; R64-R68 PolarHBondContact O-N 3.25Å; R64-R68 VanDerWaalsContact O-N 3.16Å; P65-R68 WeakPolarHBondContact O-CB 3.31Å; P65-R68 PolarHBondContact O-N 2.97Å; T66-R68 PolarHBondContact O-N 3.27Å; R68-R71 PolarHBondContact O-N 3.04Å; R68-L72 WeakPolarHBondContact O-CB 3.46Å; R68-L72 PolarHBondContact O-N 3.44Å; R68-E156 IonicContact CZ-OE1 3.63Å; R68-E156 IonicContact CZ-OE2 3.19Å; R68-E156 IonicContact NE-OE1 2.78Å; R68-E156 PolarHBondContact NE-OE1 3.16Å; R68-E156 IonicContact NE-OE2 2.6Å; R68-E156 PolarHBondContact NE-OE2 3.28Å; R68-E156 VanDerWaalsContact NE-OE2 3.1Å; R68-E156 IonicContact NH2-OE1 2.73Å; R68-E156 PolarHBondContact NH2-OE1 3.19Å; R68-E156 IonicContact NH2-OE2 2.72Å; R68-E156 PolarHBondContact NH2-OE2 2.99Å
69	V	79.4	Confident	80.8	Confident	63 Å²	63	52 Å²	52	38%	0.382	26%	0.262	S	S	.	.	H	α-helix	trans	-64.9	-43.2	-179.1	175.2	0	0	0	0	110.9	P65 T66 L72 R73 Y133	P65-V69 PolarHBondContact O-N 2.9Å; T66-V69 PolarHBondContact O-N 3.47Å; T66-V69 VanDerWaalsContact O-N 3.17Å; V69-L72 WeakPolarHBondContact O-CB 3.31Å; V69-L72 PolarHBondContact O-N 2.97Å; V69-R73 WeakPolarHBondContact O-CB 3.48Å; V69-R73 PolarHBondContact O-N 2.96Å; V69-Y133 HydrophobicContact CG1-CE1 4.21Å
70	E	78.5	Confident	80	Confident	76 Å²	76	53.9 Å²	53.9	36%	0.355	27%	0.272	S	S	.	.	H	α-helix	trans	-74.5	-29.9	177.7	-62.6	-52.7	130.1	0	0	112.9	T66 R73 L74 Y133	T66-E70 PolarHBondContact O-N 2.77Å; T66-E70 VanDerWaalsContact O-N 3.13Å; E70-R73 PolarHBondContact O-N 3.03Å; E70-R73 VanDerWaalsContact OE2-CD 3.32Å; E70-R73 WeakPolarHBondContact OE2-CD 3.31Å; E70-R73 IonicContact OE2-NH1 3.91Å; E70-L74 WeakPolarHBondContact O-CB 3.47Å; E70-L74 PolarHBondContact O-N 2.99Å; E70-Y133 PolarHBondContact OE1-OH 3.1Å
71	R	73.3	Confident	79.5	Confident	33 Å²	33	56.9 Å²	56.9	13%	0.125	28%	0.284	C	S	.	.	H	α-helix	trans	-63	-44.1	167.7	179.6	177	-75.4	103.7	7.2	111.2	E67 R68 L74 H75 L152 E155 N159	E67-R71 VanDerWaalsContact O-CB 3.32Å; E67-R71 WeakPolarHBondContact O-CB 3.4Å; E67-R71 PolarHBondContact O-N 2.81Å; E67-R71 IonicContact OE1-CZ 3.95Å; E67-R71 IonicContact OE1-NH1 2.82Å; E67-R71 PolarHBondContact OE1-NH1 2.98Å; E67-R71 IonicContact OE1-NH2 3.54Å; E67-R71 PolarHBondContact OE1-NH2 2.87Å; R68-R71 PolarHBondContact O-N 3.04Å; R71-L74 PolarHBondContact O-N 3.39Å; R71-H75 PolarHBondContact O-CD2 2.78Å; R71-H75 VanDerWaalsContact O-CD2 3.25Å; R71-H75 PolarHBondContact O-N 3.16Å; R71-L152 HydrophobicContact CG-CD2 3.83Å; R71-E155 WeakPolarHBondContact CD-OE2 3.11Å; R71-E155 IonicContact NE-OE2 3.16Å; R71-N159 PolarHBondContact NH2-O 3.12Å
72	L	71.7	Confident	78.8	Confident	32 Å²	32	53.4 Å²	53.4	17%	0.168	27%	0.266	C	S	.	.	H	α-helix	trans	-58.2	-45.6	172.6	-89.5	157.8	0	0	0	111.6	R68 V69 L74 H75 A76 L144 E145 L152	R68-L72 WeakPolarHBondContact O-CB 3.46Å; R68-L72 PolarHBondContact O-N 3.44Å; V69-L72 WeakPolarHBondContact O-CB 3.31Å; V69-L72 PolarHBondContact O-N 2.97Å; L72-L74 PolarHBondContact O-N 3.08Å; L72-H75 PolarHBondContact O-N 3.3Å; L72-A76 WeakPolarHBondContact O-CB 3.46Å; L72-A76 PolarHBondContact O-N 2.8Å; L72-L144 HydrophobicContact CD2-CD2 4.45Å; L72-E145 HydrophobicContact CD1-CG 4.31Å; L72-E145 HydrophobicContact CD2-CB 4.2Å; L72-E145 HydrophobicContact CD2-CG 4.27Å; L72-L152 HydrophobicContact CD2-CD1 3.51Å; L72-L152 HydrophobicContact CG-CD1 3.92Å; L72-L152 HydrophobicContact CG-CD2 4.39Å
73	R	74.9	Confident	78.2	Confident	70 Å²	70	60.5 Å²	60.5	26%	0.264	29%	0.289	S	S	.	.	H	α-helix	trans	-60.2	-42.9	176.8	-164.5	173.7	-164	-159.4	2.3	112.2	V69 E70 A76 S77 F132 Y133	V69-R73 WeakPolarHBondContact O-CB 3.48Å; V69-R73 PolarHBondContact O-N 2.96Å; E70-R73 PolarHBondContact O-N 3.03Å; E70-R73 VanDerWaalsContact OE2-CD 3.32Å; E70-R73 WeakPolarHBondContact OE2-CD 3.31Å; E70-R73 IonicContact OE2-NH1 3.91Å; R73-A76 WeakPolarHBondContact O-CB 3.49Å; R73-A76 PolarHBondContact O-N 3.4Å; R73-S77 PolarHBondContact O-N 2.91Å; R73-S77 PolarHBondContact O-OG 3.08Å; R73-S77 VanDerWaalsContact O-OG 3.06Å; R73-F132 HydrophobicContact CB-CE1 3.65Å; R73-F132 HydrophobicContact CB-CE2 4.27Å; R73-F132 HydrophobicContact CB-CZ 3.51Å; R73-F132 HydrophobicContact CG-CD1 3.91Å; R73-F132 HydrophobicContact CG-CD2 4.3Å; R73-F132 HydrophobicContact CG-CE1 3.52Å; R73-F132 HydrophobicContact CG-CE2 3.95Å; R73-F132 HydrophobicContact CG-CG 4.3Å; R73-F132 HydrophobicContact CG-CZ 3.55Å; R73-Y133 PolarHBondContact NH1-OH 3.03Å
74	L	74.4	Confident	77.8	Confident	93 Å²	93	63.2 Å²	63.2	49%	0.487	30%	0.304	S	S	.	.	H	α-helix	trans	-62.5	-45.6	175.7	-179.1	61.6	0	0	0	112	E70 R71 L72 S77 Q78	E70-L74 WeakPolarHBondContact O-CB 3.47Å; E70-L74 PolarHBondContact O-N 2.99Å; R71-L74 PolarHBondContact O-N 3.39Å; L72-L74 PolarHBondContact O-N 3.08Å; L74-S77 PolarHBondContact O-N 3.48Å; L74-Q78 HydrophobicContact CD1-CG 4.49Å; L74-Q78 WeakPolarHBondContact O-CG 3.02Å; L74-Q78 PolarHBondContact O-N 3.04Å
75	H	68.8	Low	77.8	Confident	22 Å²	22	62.4 Å²	62.4	10%	0.102	31%	0.305	C	S	.	.	H	α-helix	trans	-62.4	-43.8	174.9	-82.6	-69.4	0	0	0	112.1	R71 L72 S77 Q78 I79 E155	R71-H75 PolarHBondContact O-CD2 2.78Å; R71-H75 VanDerWaalsContact O-CD2 3.25Å; R71-H75 PolarHBondContact O-N 3.16Å; L72-H75 PolarHBondContact O-N 3.3Å; H75-S77 VanDerWaalsContact C-N 3.32Å; H75-S77 PolarHBondContact O-N 3.29Å; H75-Q78 PolarHBondContact O-N 3.22Å; H75-I79 WeakPolarHBondContact O-CB 2.96Å; H75-I79 VanDerWaalsContact O-CG1 3.28Å; H75-I79 WeakPolarHBondContact O-CG1 3.43Å; H75-I79 PolarHBondContact O-N 3.47Å; H75-E155 IonicContact CD2-OE2 2.96Å; H75-E155 IonicContact CE1-OE1 3.26Å; H75-E155 PolarHBondContact CE1-OE1 3.09Å; H75-E155 IonicContact CE1-OE2 3.18Å; H75-E155 VanDerWaalsContact NE2-CD 3.28Å; H75-E155 IonicContact NE2-OE1 3.14Å; H75-E155 PolarHBondContact NE2-OE1 3.35Å; H75-E155 IonicContact NE2-OE2 2.66Å; H75-E155 PolarHBondContact NE2-OE2 2.98Å
76	A	71.5	Confident	77.8	Confident	18 Å²	18	65.2 Å²	65.2	15%	0.149	32%	0.323	C	S	.	.	H	α-helix	trans	-55.6	-47.4	174.3	0	0	0	0	0	111.4	L72 R73 I79 N80 F132 L144	L72-A76 WeakPolarHBondContact O-CB 3.46Å; L72-A76 PolarHBondContact O-N 2.8Å; R73-A76 WeakPolarHBondContact O-CB 3.49Å; R73-A76 PolarHBondContact O-N 3.4Å; A76-I79 PolarHBondContact O-N 3.5Å; A76-N80 VanDerWaalsContact O-CB 3.31Å; A76-N80 WeakPolarHBondContact O-CB 3.17Å; A76-N80 PolarHBondContact O-N 3.41Å; A76-F132 HydrophobicContact CB-CE2 4.35Å; A76-L144 HydrophobicContact CB-CD2 3.55Å
77	S	75.3	Confident	77.9	Confident	45 Å²	45	68.2 Å²	68.2	32%	0.315	35%	0.345	S	S	.	.	H	α-helix	trans	-65.2	-40.4	178.1	-61.9	0	0	0	0	113	R73 L74 H75 F81	R73-S77 PolarHBondContact O-N 2.91Å; R73-S77 PolarHBondContact O-OG 3.08Å; R73-S77 VanDerWaalsContact O-OG 3.06Å; L74-S77 PolarHBondContact O-N 3.48Å; H75-S77 VanDerWaalsContact C-N 3.32Å; H75-S77 PolarHBondContact O-N 3.29Å; S77-F81 WeakPolarHBondContact O-CB 3.05Å; S77-F81 PolarHBondContact O-N 3.39Å
78	Q	73.3	Confident	78.1	Confident	42 Å²	42	69 Å²	69	20%	0.196	35%	0.351	C	S	.	.	H	α-helix	trans	-65.6	-44.2	176	-72.6	-179.5	13.4	0	0	111.9	L74 H75 F81 L82 L93	L74-Q78 HydrophobicContact CD1-CG 4.49Å; L74-Q78 WeakPolarHBondContact O-CG 3.02Å; L74-Q78 PolarHBondContact O-N 3.04Å; H75-Q78 PolarHBondContact O-N 3.22Å; Q78-F81 PolarHBondContact O-N 3.42Å; Q78-L82 WeakPolarHBondContact O-CG 3.46Å; Q78-L82 PolarHBondContact O-N 3.07Å; Q78-L93 HydrophobicContact CB-CD2 4.11Å; Q78-L93 HydrophobicContact CG-CD2 4.15Å
79	I	73.4	Confident	78.5	Confident	85 Å²	85	66.3 Å²	66.3	44%	0.436	35%	0.349	S	S	.	.	H	α-helix	trans	-63.5	-44.5	177.1	-67.5	165.2	0	0	0	110.4	H75 A76 L82 R83 L144	H75-I79 WeakPolarHBondContact O-CB 2.96Å; H75-I79 VanDerWaalsContact O-CG1 3.28Å; H75-I79 WeakPolarHBondContact O-CG1 3.43Å; H75-I79 PolarHBondContact O-N 3.47Å; A76-I79 PolarHBondContact O-N 3.5Å; I79-L82 PolarHBondContact O-N 3.33Å; I79-R83 VanDerWaalsContact O-CB 3.27Å; I79-R83 WeakPolarHBondContact O-CB 3.38Å; I79-R83 PolarHBondContact O-N 2.91Å; I79-L144 HydrophobicContact CD1-CD1 4.35Å
80	N	78.5	Confident	78.4	Confident	40 Å²	40	66 Å²	66	21%	0.214	35%	0.35	C	S	.	.	H	α-helix	trans	-62	-43.1	175.9	-168	24.2	0	0	0	111.6	A76 R83 N84 W128	A76-N80 VanDerWaalsContact O-CB 3.31Å; A76-N80 WeakPolarHBondContact O-CB 3.17Å; A76-N80 PolarHBondContact O-N 3.41Å; N80-R83 PolarHBondContact O-N 3.45Å; N80-N84 WeakPolarHBondContact O-CB 3.48Å; N80-N84 PolarHBondContact O-N 3.03Å; N80-N84 PolarHBondContact O-ND2 3.5Å; N80-N84 PolarHBondContact OD1-ND2 3.38Å; N80-W128 VanDerWaalsContact ND2-CH2 3.31Å; N80-W128 WeakPolarHBondContact ND2-CH2 3.46Å; N80-W128 WeakPolarHBondContact ND2-CZ2 3.42Å
81	F	81.5	Confident	78.2	Confident	80 Å²	80	66.7 Å²	66.7	35%	0.351	35%	0.353	S	S	.	.	H	α-helix	trans	-61.7	-48.3	177.7	-173	-84.3	0	0	0	112.3	S77 Q78 R83 N84 N85 V88 L93	S77-F81 WeakPolarHBondContact O-CB 3.05Å; S77-F81 PolarHBondContact O-N 3.39Å; Q78-F81 PolarHBondContact O-N 3.42Å; F81-R83 VanDerWaalsContact C-N 3.34Å; F81-R83 PolarHBondContact O-N 3.25Å; F81-N84 PolarHBondContact O-N 3.46Å; F81-N85 HydrophobicContact CE1-CB 4.16Å; F81-N85 WeakPolarHBondContact O-CB 3.48Å; F81-N85 PolarHBondContact O-N 2.94Å; F81-N85 PolarHBondContact O-ND2 3.08Å; F81-V88 HydrophobicContact CE1-CB 4.29Å; F81-V88 HydrophobicContact CE1-CG1 4.17Å; F81-V88 HydrophobicContact CE1-CG2 4.24Å; F81-L93 HydrophobicContact CB-CD2 4.49Å; F81-L93 HydrophobicContact CD1-CD1 3.8Å; F81-L93 HydrophobicContact CD1-CD2 4.01Å; F81-L93 HydrophobicContact CD1-CG 4.46Å; F81-L93 HydrophobicContact CE1-CD1 3.98Å; F81-L93 HydrophobicContact CG-CD1 4.36Å
82	L	79	Confident	78.4	Confident	48 Å²	48	70.3 Å²	70.3	25%	0.251	37%	0.371	S	S	.	.	H	α-helix	trans	-66.3	-35.1	178.9	-66.6	171.1	0	0	0	112.2	Q78 I79 N85 V88 L93	Q78-L82 WeakPolarHBondContact O-CG 3.46Å; Q78-L82 PolarHBondContact O-N 3.07Å; I79-L82 PolarHBondContact O-N 3.33Å; L82-N85 CarbonylContact O-C 3.41Å; L82-V88 HydrophobicContact CD2-CG1 4.49Å; L82-V88 VanDerWaalsContact CD2-O 3.23Å; L82-V88 WeakPolarHBondContact CD2-O 3.43Å; L82-L93 HydrophobicContact CD1-CD2 4.11Å; L82-L93 HydrophobicContact CD2-CB 4.09Å; L82-L93 HydrophobicContact CD2-CD2 3.8Å; L82-L93 HydrophobicContact CG-CD2 3.7Å
83	R	79.3	Confident	78.9	Confident	206 Å²	206	69.3 Å²	69.3	78%	0.777	37%	0.366	S	S	*	.	H	α-helix	trans	-64.4	-40.2	174.8	-175.8	178.6	-175.7	174	1.6	112.2	I79 N80 F81	I79-R83 VanDerWaalsContact O-CB 3.27Å; I79-R83 WeakPolarHBondContact O-CB 3.38Å; I79-R83 PolarHBondContact O-N 2.91Å; N80-R83 PolarHBondContact O-N 3.45Å; F81-R83 VanDerWaalsContact C-N 3.34Å; F81-R83 PolarHBondContact O-N 3.25Å
84	N	83.8	Confident	78.9	Confident	59 Å²	59	72.4 Å²	72.4	32%	0.316	38%	0.378	S	S	.	.	H	α-helix	trans	-84.9	-18.8	-177.7	-59.8	-19.2	0	0	0	112.7	N80 F81	N80-N84 WeakPolarHBondContact O-CB 3.48Å; N80-N84 PolarHBondContact O-N 3.03Å; N80-N84 PolarHBondContact O-ND2 3.5Å; N80-N84 PolarHBondContact OD1-ND2 3.38Å; F81-N84 PolarHBondContact O-N 3.46Å
85	N	86.2	Confident	78.5	Confident	57 Å²	57	73 Å²	73	31%	0.305	38%	0.376	S	S	.	.			trans	-126	69.8	179.8	-57	-90.6	0	0	0	110.6	F81 L82 C87 V88	F81-N85 HydrophobicContact CE1-CB 4.16Å; F81-N85 WeakPolarHBondContact O-CB 3.48Å; F81-N85 PolarHBondContact O-N 2.94Å; F81-N85 PolarHBondContact O-ND2 3.08Å; L82-N85 CarbonylContact O-C 3.41Å; N85-C87 PolarHBondContact O-N 3.49Å; N85-V88 HydrophobicContact CB-CB 4.44Å; N85-V88 HydrophobicContact CB-CG2 4.07Å; N85-V88 PolarHBondContact O-N 2.83Å
86	P	85.7	Confident	78.8	Confident	119 Å²	119	77.5 Å²	77.5	77%	0.773	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-9.6	-176.9	27.6	-36.5	0	0	0	114.2	V88	P86-V88 VanDerWaalsContact C-N 3.31Å
87	C	89.2	Confident	79.3	Confident	111 Å²	111	78.9 Å²	78.9	75%	0.75	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-7.4	170.1	55.4	0	0	0	0	114.3	N85	N85-C87 PolarHBondContact O-N 3.49Å
88	V	86.3	Confident	79.1	Confident	40 Å²	40	80 Å²	80	24%	0.242	41%	0.41	C	S	.	.	S	Bend	trans	-107.9	119.5	178.2	-177.6	0	0	0	0	109.3	F81 L82 N85 P86 E92 L93	F81-V88 HydrophobicContact CE1-CB 4.29Å; F81-V88 HydrophobicContact CE1-CG1 4.17Å; F81-V88 HydrophobicContact CE1-CG2 4.24Å; L82-V88 HydrophobicContact CD2-CG1 4.49Å; L82-V88 VanDerWaalsContact CD2-O 3.23Å; L82-V88 WeakPolarHBondContact CD2-O 3.43Å; N85-V88 HydrophobicContact CB-CB 4.44Å; N85-V88 HydrophobicContact CB-CG2 4.07Å; N85-V88 PolarHBondContact O-N 2.83Å; P86-V88 VanDerWaalsContact C-N 3.31Å; V88-E92 HydrophobicContact CG1-CB 4.03Å; V88-L93 HydrophobicContact CG1-CB 4.19Å
89	S	83.7	Confident	78.8	Confident	54 Å²	54	86 Å²	86	38%	0.378	43%	0.433	S	S	.	.			trans	-72.4	157	172.7	70.3	0	0	0	0	111.8	E91 E92 L93	S89-E91 PolarHBondContact O-N 3.22Å; S89-E92 WeakPolarHBondContact CB-OE2 3.42Å; S89-E92 PolarHBondContact N-OE2 3.31Å; S89-E92 PolarHBondContact O-N 3.28Å; S89-E92 WeakPolarHBondContact OG-CG 3.23Å; S89-E92 PolarHBondContact OG-N 3.37Å; S89-E92 VanDerWaalsContact OG-N 3.16Å; S89-E92 PolarHBondContact OG-OE2 3.37Å; S89-L93 PolarHBondContact O-N 3.02Å
90	S	78.1	Confident	78.9	Confident	57 Å²	57	84.3 Å²	84.3	40%	0.399	42%	0.424	S	S	.	.	H	α-helix	trans	-61.3	-18.5	174.9	77	0	0	0	0	113.5	R94	S90-R94 WeakPolarHBondContact O-CB 3.44Å; S90-R94 VanDerWaalsContact O-CG 3.27Å; S90-R94 WeakPolarHBondContact O-CG 3.48Å; S90-R94 PolarHBondContact O-N 3.39Å; S90-R94 VanDerWaalsContact O-N 3.13Å; S90-R94 PolarHBondContact O-NH1 3.45Å; S90-R94 PolarHBondContact OG-NH1 3.07Å
91	E	74.5	Confident	78.8	Confident	90 Å²	90	85.9 Å²	85.9	42%	0.421	43%	0.434	S	S	.	.	H	α-helix	trans	-84.6	-39	177.8	-179.4	55.5	-161.6	0	0	112.1	S89 L93 R94 K95	S89-E91 PolarHBondContact O-N 3.22Å; E91-L93 VanDerWaalsContact C-N 3.35Å; E91-R94 PolarHBondContact O-N 2.98Å; E91-K95 HydrophobicContact CG-CD 4.41Å; E91-K95 WeakPolarHBondContact O-CB 3.47Å; E91-K95 WeakPolarHBondContact O-CG 3.46Å; E91-K95 PolarHBondContact O-N 2.93Å; E91-K95 WeakPolarHBondContact OE1-CE 3.49Å; E91-K95 IonicContact OE1-NZ 2.68Å; E91-K95 PolarHBondContact OE1-NZ 3.04Å
92	E	78.3	Confident	78	Confident	109 Å²	109	84.6 Å²	84.6	51%	0.509	44%	0.436	S	S	.	.	H	α-helix	trans	-64.6	-40.6	170.1	-71.7	157.8	127.5	0	0	111.1	V88 S89 K95 F96	V88-E92 HydrophobicContact CG1-CB 4.03Å; S89-E92 WeakPolarHBondContact CB-OE2 3.42Å; S89-E92 PolarHBondContact N-OE2 3.31Å; S89-E92 PolarHBondContact O-N 3.28Å; S89-E92 WeakPolarHBondContact OG-CG 3.23Å; S89-E92 PolarHBondContact OG-N 3.37Å; S89-E92 VanDerWaalsContact OG-N 3.16Å; S89-E92 PolarHBondContact OG-OE2 3.37Å; E92-K95 PolarHBondContact O-N 3.12Å; E92-F96 WeakPolarHBondContact O-CB 3.15Å; E92-F96 PolarHBondContact O-N 3.48Å
93	L	82.3	Confident	77.5	Confident	11 Å²	11	83.7 Å²	83.7	6%	0.058	44%	0.435	C	S	.	.	H	α-helix	trans	-61.8	-44.6	173.1	-179.4	59.8	0	0	0	111.8	Q78 F81 L82 V88 S89 E91 K95 F96 V97	Q78-L93 HydrophobicContact CB-CD2 4.11Å; Q78-L93 HydrophobicContact CG-CD2 4.15Å; F81-L93 HydrophobicContact CB-CD2 4.49Å; F81-L93 HydrophobicContact CD1-CD1 3.8Å; F81-L93 HydrophobicContact CD1-CD2 4.01Å; F81-L93 HydrophobicContact CD1-CG 4.46Å; F81-L93 HydrophobicContact CE1-CD1 3.98Å; F81-L93 HydrophobicContact CG-CD1 4.36Å; L82-L93 HydrophobicContact CD1-CD2 4.11Å; L82-L93 HydrophobicContact CD2-CB 4.09Å; L82-L93 HydrophobicContact CD2-CD2 3.8Å; L82-L93 HydrophobicContact CG-CD2 3.7Å; V88-L93 HydrophobicContact CG1-CB 4.19Å; S89-L93 PolarHBondContact O-N 3.02Å; E91-L93 VanDerWaalsContact C-N 3.35Å; L93-K95 PolarHBondContact O-N 3.38Å; L93-F96 PolarHBondContact O-N 2.74Å; L93-V97 HydrophobicContact CD1-CG2 4.06Å; L93-V97 HydrophobicContact CG-CG2 4.48Å; L93-V97 WeakPolarHBondContact O-CB 3.41Å; L93-V97 VanDerWaalsContact O-CG2 3.31Å; L93-V97 WeakPolarHBondContact O-CG2 3.46Å; L93-V97 PolarHBondContact O-N 3.28Å
94	R	72.8	Confident	77.2	Confident	135 Å²	135	77.5 Å²	77.5	51%	0.509	42%	0.42	S	S	.	.	H	α-helix	trans	-61.6	-42.9	175.6	-80.7	-178.6	-169.4	95.6	2.3	112.1	S90 E91 S98	S90-R94 WeakPolarHBondContact O-CB 3.44Å; S90-R94 VanDerWaalsContact O-CG 3.27Å; S90-R94 WeakPolarHBondContact O-CG 3.48Å; S90-R94 PolarHBondContact O-N 3.39Å; S90-R94 VanDerWaalsContact O-N 3.13Å; S90-R94 PolarHBondContact O-NH1 3.45Å; S90-R94 PolarHBondContact OG-NH1 3.07Å; E91-R94 PolarHBondContact O-N 2.98Å; R94-S98 VanDerWaalsContact O-CB 3.29Å; R94-S98 WeakPolarHBondContact O-CB 3.33Å; R94-S98 PolarHBondContact O-N 3.45Å
95	K	67.1	Low	76.5	Confident	104 Å²	104	79.8 Å²	79.8	45%	0.452	43%	0.427	S	S	.	.	H	α-helix	trans	-63	-46	175.6	-78.7	166.6	167	131.6	0	111.9	E91 E92 L93 S98 Y99	E91-K95 HydrophobicContact CG-CD 4.41Å; E91-K95 WeakPolarHBondContact O-CB 3.47Å; E91-K95 WeakPolarHBondContact O-CG 3.46Å; E91-K95 PolarHBondContact O-N 2.93Å; E91-K95 WeakPolarHBondContact OE1-CE 3.49Å; E91-K95 IonicContact OE1-NZ 2.68Å; E91-K95 PolarHBondContact OE1-NZ 3.04Å; E92-K95 PolarHBondContact O-N 3.12Å; L93-K95 PolarHBondContact O-N 3.38Å; K95-S98 WeakPolarHBondContact O-CB 3.24Å; K95-S98 PolarHBondContact O-N 2.8Å; K95-Y99 HydrophobicContact CB-CE2 4.35Å; K95-Y99 WeakPolarHBondContact O-CD2 3.49Å; K95-Y99 PolarHBondContact O-N 3.18Å
96	F	75.9	Confident	75.6	Confident	117 Å²	117	84.2 Å²	84.2	51%	0.513	45%	0.448	S	S	.	.	H	α-helix	trans	-60.5	-47.1	176.4	-177.9	-115.7	0	0	0	112.4	E92 L93 S98 Y99 I100	E92-F96 WeakPolarHBondContact O-CB 3.15Å; E92-F96 PolarHBondContact O-N 3.48Å; L93-F96 PolarHBondContact O-N 2.74Å; F96-S98 VanDerWaalsContact C-N 3.31Å; F96-S98 PolarHBondContact O-N 3.41Å; F96-Y99 PolarHBondContact O-N 2.74Å; F96-I100 HydrophobicContact CD1-CD1 3.94Å; F96-I100 HydrophobicContact CE1-CD1 3.46Å; F96-I100 VanDerWaalsContact CE1-CD1 3.46Å; F96-I100 HydrophobicContact CE2-CD1 4.23Å; F96-I100 HydrophobicContact CZ-CD1 3.62Å; F96-I100 HydrophobicContact CZ-CG1 4.42Å; F96-I100 WeakPolarHBondContact O-CB 3.07Å; F96-I100 PolarHBondContact O-N 3.42Å
97	V	80.7	Confident	74.3	Confident	47 Å²	47	81.6 Å²	81.6	29%	0.285	44%	0.443	S	S	.	.	H	α-helix	trans	-63.1	-36.8	174.5	172.8	0	0	0	0	111.4	L93 I100 V101	L93-V97 HydrophobicContact CD1-CG2 4.06Å; L93-V97 HydrophobicContact CG-CG2 4.48Å; L93-V97 WeakPolarHBondContact O-CB 3.41Å; L93-V97 VanDerWaalsContact O-CG2 3.31Å; L93-V97 WeakPolarHBondContact O-CG2 3.46Å; L93-V97 PolarHBondContact O-N 3.28Å; V97-I100 WeakPolarHBondContact O-CB 3.49Å; V97-I100 PolarHBondContact O-N 2.85Å; V97-V101 HydrophobicContact CG1-CG2 4.35Å; V97-V101 WeakPolarHBondContact O-CG2 3.49Å; V97-V101 PolarHBondContact O-N 3.47Å
98	S	71.2	Confident	72.8	Confident	69 Å²	69	81 Å²	81	48%	0.483	43%	0.431	S	S	.	.	H	α-helix	trans	-62.8	-46.1	175.2	-169.7	0	0	0	0	112.3	R94 K95 F96 I100 V101 S102	R94-S98 VanDerWaalsContact O-CB 3.29Å; R94-S98 WeakPolarHBondContact O-CB 3.33Å; R94-S98 PolarHBondContact O-N 3.45Å; K95-S98 WeakPolarHBondContact O-CB 3.24Å; K95-S98 PolarHBondContact O-N 2.8Å; F96-S98 VanDerWaalsContact C-N 3.31Å; F96-S98 PolarHBondContact O-N 3.41Å; S98-I100 PolarHBondContact O-N 2.99Å; S98-V101 PolarHBondContact O-N 2.86Å; S98-S102 WeakPolarHBondContact O-CB 3.37Å; S98-S102 PolarHBondContact O-N 2.73Å; S98-S102 PolarHBondContact O-OG 3.01Å
99	Y	66.7	Low	71.1	Confident	169 Å²	169	83.8 Å²	83.8	66%	0.663	45%	0.453	S	S	*	.	H	α-helix	trans	-61.6	-42.1	173.2	-65.3	-53.8	0	0	0	112	K95 F96 S102 A103	K95-Y99 HydrophobicContact CB-CE2 4.35Å; K95-Y99 WeakPolarHBondContact O-CD2 3.49Å; K95-Y99 PolarHBondContact O-N 3.18Å; F96-Y99 PolarHBondContact O-N 2.74Å; Y99-S102 PolarHBondContact O-N 3.33Å; Y99-A103 WeakPolarHBondContact O-CB 3.4Å; Y99-A103 PolarHBondContact O-N 3.05Å
100	I	75.7	Confident	69.8	Low	48 Å²	48	86.6 Å²	86.6	25%	0.246	46%	0.461	C	S	.	.	H	α-helix	trans	-57.5	-49.7	174.9	-86	177.8	0	0	0	112	F96 V97 S98 S102 T104 M110	F96-I100 HydrophobicContact CD1-CD1 3.94Å; F96-I100 HydrophobicContact CE1-CD1 3.46Å; F96-I100 VanDerWaalsContact CE1-CD1 3.46Å; F96-I100 HydrophobicContact CE2-CD1 4.23Å; F96-I100 HydrophobicContact CZ-CD1 3.62Å; F96-I100 HydrophobicContact CZ-CG1 4.42Å; F96-I100 WeakPolarHBondContact O-CB 3.07Å; F96-I100 PolarHBondContact O-N 3.42Å; V97-I100 WeakPolarHBondContact O-CB 3.49Å; V97-I100 PolarHBondContact O-N 2.85Å; S98-I100 PolarHBondContact O-N 2.99Å; I100-S102 VanDerWaalsContact C-N 3.32Å; I100-S102 PolarHBondContact O-N 3.26Å; I100-T104 WeakPolarHBondContact O-CB 3.49Å; I100-T104 PolarHBondContact O-N 3.35Å; I100-T104 PolarHBondContact O-OG1 2.67Å; I100-M110 HydrophobicContact CB-SD 4.34Å; I100-M110 HydrophobicContact CD1-SD 3.98Å; I100-M110 HydrophobicContact CG1-SD 3.75Å; I100-M110 HydrophobicContact CG2-CE 3.62Å; I100-M110 HydrophobicContact CG2-SD 3.95Å
101	V	76.2	Confident	68	Low	73 Å²	73	89.5 Å²	89.5	44%	0.442	48%	0.477	S	S	.	.	H	α-helix	trans	-66.4	-38	179.6	170.5	0	0	0	0	110.7	V97 S98 T104 K105	V97-V101 HydrophobicContact CG1-CG2 4.35Å; V97-V101 WeakPolarHBondContact O-CG2 3.49Å; V97-V101 PolarHBondContact O-N 3.47Å; S98-V101 PolarHBondContact O-N 2.86Å; V101-T104 PolarHBondContact O-N 3.34Å; V101-K105 PolarHBondContact O-N 2.72Å
102	S	66.1	Low	66.4	Low	54 Å²	54	90.3 Å²	90.3	38%	0.378	49%	0.489	S	S	.	.	H	α-helix	trans	-65.9	-46.2	178.8	-56.6	0	0	0	0	111.9	S98 Y99 I100 T104 K105 M106	S98-S102 WeakPolarHBondContact O-CB 3.37Å; S98-S102 PolarHBondContact O-N 2.73Å; S98-S102 PolarHBondContact O-OG 3.01Å; Y99-S102 PolarHBondContact O-N 3.33Å; I100-S102 VanDerWaalsContact C-N 3.32Å; I100-S102 PolarHBondContact O-N 3.26Å; S102-T104 VanDerWaalsContact C-N 3.33Å; S102-T104 PolarHBondContact O-N 2.69Å; S102-K105 PolarHBondContact O-N 3.47Å; S102-M106 WeakPolarHBondContact O-CG 3.26Å; S102-M106 PolarHBondContact O-N 3Å
103	A	67.2	Low	64.3	Low	29 Å²	29	92 Å²	92	24%	0.24	50%	0.501	C	S	.	.	H	α-helix	trans	-61.5	-41.4	173.8	0	0	0	0	0	111.6	Y99 M106 I108	Y99-A103 WeakPolarHBondContact O-CB 3.4Å; Y99-A103 PolarHBondContact O-N 3.05Å; A103-M106 WeakPolarHBondContact O-CB 3.31Å; A103-M106 PolarHBondContact O-N 3.26Å; A103-M106 VanDerWaalsContact O-N 3.12Å; A103-I108 HydrophobicContact CB-CB 4.22Å; A103-I108 HydrophobicContact CB-CD1 4.24Å; A103-I108 VanDerWaalsContact O-CB 3.29Å; A103-I108 WeakPolarHBondContact O-CB 3.4Å; A103-I108 PolarHBondContact O-N 3.4Å
104	T	73.2	Confident	62	Low	76 Å²	76	100.5 Å²	100.5	47%	0.466	54%	0.537	S	S	.	.	H	α-helix	trans	-64.5	-41.8	177.5	-52.6	0	0	0	0	111.8	I100 V101 S102 M106 G107	I100-T104 WeakPolarHBondContact O-CB 3.49Å; I100-T104 PolarHBondContact O-N 3.35Å; I100-T104 PolarHBondContact O-OG1 2.67Å; V101-T104 PolarHBondContact O-N 3.34Å; S102-T104 VanDerWaalsContact C-N 3.33Å; S102-T104 PolarHBondContact O-N 2.69Å; T104-M106 PolarHBondContact O-N 3.44Å; T104-G107 PolarHBondContact O-N 3.23Å
105	K	68.6	Low	60.2	Low	107 Å²	107	100.4 Å²	100.4	47%	0.465	55%	0.547	S	S	.	.	H	α-helix	trans	-59	-32.8	172.2	-84.2	-156.4	179.1	-164.1	0	112.3	V101 S102 G107 E618	V101-K105 PolarHBondContact O-N 2.72Å; S102-K105 PolarHBondContact O-N 3.47Å; K105-G107 PolarHBondContact O-N 3.17Å; K105-E618 IonicContact NZ-OE1 3.6Å; K105-E618 PolarHBondContact NZ-OE1 3.46Å; K105-E618 IonicContact NZ-OE2 2.67Å
106	M	68.3	Low	59.2	Low	149 Å²	149	101.3 Å²	101.3	73%	0.734	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	8.1	176	-65.7	176.2	179.8	0	0	114	S102 A103 T104 I108	S102-M106 WeakPolarHBondContact O-CG 3.26Å; S102-M106 PolarHBondContact O-N 3Å; A103-M106 WeakPolarHBondContact O-CB 3.31Å; A103-M106 PolarHBondContact O-N 3.26Å; A103-M106 VanDerWaalsContact O-N 3.12Å; T104-M106 PolarHBondContact O-N 3.44Å; M106-I108 HydrophobicContact CB-CD1 4.31Å; M106-I108 HydrophobicContact CB-CG1 4.17Å; M106-I108 PolarHBondContact O-N 3.19Å
107	G	58.5	Low	57.8	Low	65 Å²	65	100 Å²	100	67%	0.67	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.9	8.6	-177.2	0	0	0	0	0	114.2	T104 K105 S109	T104-G107 PolarHBondContact O-N 3.23Å; K105-G107 PolarHBondContact O-N 3.17Å; G107-S109 PolarHBondContact O-N 3.41Å
108	I	58.5	Low	55.8	Low	98 Å²	98	106.7 Å²	106.7	50%	0.503	59%	0.586	S	S	.	*			trans	-75	95.4	175	-52.8	175	0	0	0	107.6	A103 M106 M110	A103-I108 HydrophobicContact CB-CB 4.22Å; A103-I108 HydrophobicContact CB-CD1 4.24Å; A103-I108 VanDerWaalsContact O-CB 3.29Å; A103-I108 WeakPolarHBondContact O-CB 3.4Å; A103-I108 PolarHBondContact O-N 3.4Å; M106-I108 HydrophobicContact CB-CD1 4.31Å; M106-I108 HydrophobicContact CB-CG1 4.17Å; M106-I108 PolarHBondContact O-N 3.19Å; I108-M110 PolarHBondContact O-N 2.85Å
109	S	50.1	Low	54.5	Low	99 Å²	99	112 Å²	112	69%	0.692	60%	0.597	S	S	*	*			trans	-56.9	122.1	170.3	-176.3	0	0	0	0	109.5	G107 T111	G107-S109 PolarHBondContact O-N 3.41Å; S109-T111 PolarHBondContact O-N 2.87Å
110	M	56	Low	53.7	Low	112 Å²	112	109.6 Å²	109.6	55%	0.552	60%	0.595	S	S	*	*			trans	-65	106.5	170.9	-79.3	-171.9	-77	0	0	109.2	I100 I108	I100-M110 HydrophobicContact CB-SD 4.34Å; I100-M110 HydrophobicContact CD1-SD 3.98Å; I100-M110 HydrophobicContact CG1-SD 3.75Å; I100-M110 HydrophobicContact CG2-CE 3.62Å; I100-M110 HydrophobicContact CG2-SD 3.95Å; I108-M110 PolarHBondContact O-N 2.85Å
111	T	40.2	Very low	52.3	Low	119 Å²	119	115.5 Å²	115.5	73%	0.73	63%	0.627	S	S	*	*			trans	-67.5	138.2	169.3	46	0	0	0	0	109.4	S109	S109-T111 PolarHBondContact O-N 2.87Å
112	P	40.8	Very low	50.6	Low	106 Å²	106	118.4 Å²	118.4	69%	0.688	64%	0.639	S	S	*	*			trans	-64.4	140.3	-176.2	25.5	-34.4	0	0	0	111.1	K114	P112-K114 PolarHBondContact O-N 3.11Å
113	I	35.3	Very low	49.5	Very low	146 Å²	146	121.7 Å²	121.7	75%	0.749	66%	0.662	S	S	*	*			trans	-66.8	100.1	-176.4	-62.4	170.6	0	0	0	109.8	N115	I113-N115 PolarHBondContact O-N 3.22Å; I113-N115 VanDerWaalsContact O-N 3.09Å
114	K	33.6	Very low	48.5	Very low	189 Å²	189	124 Å²	124	82%	0.822	67%	0.669	S	S	*	*	S	Bend	trans	-83	75.1	178.9	-74.4	-174	174.6	-176.8	0	112.5	P112	P112-K114 PolarHBondContact O-N 3.11Å
115	N	33.9	Very low	47.5	Very low	133 Å²	133	125.1 Å²	125.1	71%	0.711	68%	0.678	S	S	*	*			trans	-179	94	142	-98.7	-17.4	0	0	0	109.5	I113	I113-N115 PolarHBondContact O-N 3.22Å; I113-N115 VanDerWaalsContact O-N 3.09Å
116	I	47.7	Very low	46.7	Very low	122 Å²	122	128.2 Å²	128.2	63%	0.626	69%	0.694	S	S	*	*			trans	-94	-14.2	-176.3	-70.8	170.9	0	0	0	112.3	K118 Y119	I116-K118 PolarHBondContact O-N 2.86Å; I116-Y119 WeakPolarHBondContact O-CD2 3.23Å; I116-Y119 PolarHBondContact O-N 3.08Å
117	S	45.1	Very low	46	Very low	91 Å²	91	124.7 Å²	124.7	64%	0.636	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	49.1	-178.5	65.1	0	0	0	0	114.3	D120	S117-D120 WeakPolarHBondContact CA-OD2 3.28Å
118	K	40	Very low	45.7	Very low	187 Å²	187	125.3 Å²	125.3	81%	0.813	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.2	8.7	170.7	-146.2	-177.4	-177.7	-177	0	112.4	I116	I116-K118 PolarHBondContact O-N 2.86Å
119	Y	43.2	Very low	45.4	Very low	180 Å²	180	125.8 Å²	125.8	71%	0.706	66%	0.66	S	S	*	*			trans	-121.8	9.1	-177.3	-61.3	-79.4	0	0	0	112.5	I116 L121	I116-Y119 WeakPolarHBondContact O-CD2 3.23Å; I116-Y119 PolarHBondContact O-N 3.08Å; Y119-L121 PolarHBondContact O-N 2.99Å
120	D	48.7	Very low	45.5	Very low	119 Å²	119	127.7 Å²	127.7	64%	0.636	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	21.9	-169	-47.9	-57	0	0	0	115.2	S117	S117-D120 WeakPolarHBondContact CA-OD2 3.28Å
121	L	46.3	Very low	45.3	Very low	172 Å²	172	125.7 Å²	125.7	90%	0.901	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.5	14.3	-174.1	-72.3	174.7	0	0	0	114.2	Y119	Y119-L121 PolarHBondContact O-N 2.99Å
122	L	40.5	Very low	45.8	Very low	133 Å²	133	121 Å²	121	70%	0.696	62%	0.619	S	S	*	*			trans	-121.8	105.8	177.3	-130.7	77.1	0	0	0	112.2	I124	L122-I124 PolarHBondContact O-N 3.1Å
123	S	42.8	Very low	46.4	Very low	123 Å²	123	122.3 Å²	122.3	86%	0.86	61%	0.611	S	S	*	*			trans	-78.7	83.6	-179.8	59.7	0	0	0	0	112.3
124	I	47.7	Very low	47.3	Very low	77 Å²	77	116.8 Å²	116.8	40%	0.395	59%	0.586	S	S	.	*			trans	-79.3	137	162.4	-58.2	176.1	0	0	0	107.7	L122 E126	L122-I124 PolarHBondContact O-N 3.1Å; I124-E126 PolarHBondContact O-N 3.15Å; I124-E126 VanDerWaalsContact O-N 3.14Å
125	P	51.4	Low	48.4	Very low	100 Å²	100	113.9 Å²	113.9	65%	0.649	58%	0.575	S	S	*	*			trans	-58.4	118	175.1	-24	34.3	0	0	0	111.3	N127 W128	P125-N127 VanDerWaalsContact C-N 3.29Å; P125-N127 PolarHBondContact O-N 2.88Å; P125-W128 PolarHBondContact O-N 3.45Å
126	E	52.2	Low	49.4	Very low	172 Å²	172	113.2 Å²	113.2	80%	0.804	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-55.9	-41.7	-165.5	-61.1	178.3	127.9	0	0	112.7	I124 W128	I124-E126 PolarHBondContact O-N 3.15Å; I124-E126 VanDerWaalsContact O-N 3.14Å; E126-W128 VanDerWaalsContact C-N 3.33Å; E126-W128 PolarHBondContact O-N 3.27Å
127	N	52.9	Low	49.9	Very low	76 Å²	76	109.5 Å²	109.5	41%	0.406	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-82.7	6.9	-168.7	-43.7	89.8	0	0	0	115.3	P125 H129 E130 N131	P125-N127 VanDerWaalsContact C-N 3.29Å; P125-N127 PolarHBondContact O-N 2.88Å; N127-H129 VanDerWaalsContact C-N 3.26Å; N127-H129 PolarHBondContact O-N 3.16Å; N127-E130 PolarHBondContact ND2-OE2 3.49Å; N127-E130 PolarHBondContact O-N 3.1Å; N127-E130 VanDerWaalsContact O-N 3.1Å; N127-N131 WeakPolarHBondContact CB-ND2 3.19Å; N127-N131 WeakPolarHBondContact O-CB 3.45Å; N127-N131 PolarHBondContact O-N 3.12Å
128	W	52	Low	50.8	Low	77 Å²	77	109.8 Å²	109.8	29%	0.292	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-64.2	-30.2	-173.5	82.4	-88.7	0	0	0	113.6	N80 P125 E126	N80-W128 VanDerWaalsContact ND2-CH2 3.31Å; N80-W128 WeakPolarHBondContact ND2-CH2 3.46Å; N80-W128 WeakPolarHBondContact ND2-CZ2 3.42Å; P125-W128 PolarHBondContact O-N 3.45Å; E126-W128 VanDerWaalsContact C-N 3.33Å; E126-W128 PolarHBondContact O-N 3.27Å
129	H	52.8	Low	51.8	Low	109 Å²	109	106.4 Å²	106.4	51%	0.505	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-37.5	173	-72.8	-68.1	0	0	0	112.8	N127	N127-H129 VanDerWaalsContact C-N 3.26Å; N127-H129 PolarHBondContact O-N 3.16Å
130	E	52.5	Low	52.6	Low	138 Å²	138	101.7 Å²	101.7	65%	0.645	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-44.6	-174.4	-54	-178	138.1	0	0	111	N127 F132	N127-E130 PolarHBondContact ND2-OE2 3.49Å; N127-E130 PolarHBondContact O-N 3.1Å; N127-E130 VanDerWaalsContact O-N 3.1Å; E130-F132 VanDerWaalsContact C-N 3.3Å; E130-F132 PolarHBondContact O-N 3.35Å
131	N	51.5	Low	53.1	Low	70 Å²	70	98.4 Å²	98.4	37%	0.374	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-83.8	6	-177.7	-72.2	-26.5	0	0	0	113.8	N127 Y133 S134 N137	N127-N131 WeakPolarHBondContact CB-ND2 3.19Å; N127-N131 WeakPolarHBondContact O-CB 3.45Å; N127-N131 PolarHBondContact O-N 3.12Å; N131-Y133 PolarHBondContact O-N 3.06Å; N131-Y133 VanDerWaalsContact O-N 3.12Å; N131-S134 PolarHBondContact O-N 3.06Å; N131-S134 PolarHBondContact O-OG 3.05Å; N131-N137 PolarHBondContact O-ND2 3.31Å
132	F	50.2	Low	54	Low	20 Å²	20	92.5 Å²	92.5	9%	0.088	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-57.2	-33	-176.8	-175.6	-95.8	0	0	0	113.4	R73 A76 E130 N141	R73-F132 HydrophobicContact CB-CE1 3.65Å; R73-F132 HydrophobicContact CB-CE2 4.27Å; R73-F132 HydrophobicContact CB-CZ 3.51Å; R73-F132 HydrophobicContact CG-CD1 3.91Å; R73-F132 HydrophobicContact CG-CD2 4.3Å; R73-F132 HydrophobicContact CG-CE1 3.52Å; R73-F132 HydrophobicContact CG-CE2 3.95Å; R73-F132 HydrophobicContact CG-CG 4.3Å; R73-F132 HydrophobicContact CG-CZ 3.55Å; A76-F132 HydrophobicContact CB-CE2 4.35Å; E130-F132 VanDerWaalsContact C-N 3.3Å; E130-F132 PolarHBondContact O-N 3.35Å; F132-N141 PolarHBondContact O-ND2 3.23Å
133	Y	53.2	Low	55.1	Low	134 Å²	134	91 Å²	91	53%	0.525	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-98.7	4.8	177.6	-55.8	-77.4	0	0	0	113.9	V69 E70 R73 N131	V69-Y133 HydrophobicContact CG1-CE1 4.21Å; E70-Y133 PolarHBondContact OE1-OH 3.1Å; R73-Y133 PolarHBondContact NH1-OH 3.03Å; N131-Y133 PolarHBondContact O-N 3.06Å; N131-Y133 VanDerWaalsContact O-N 3.12Å
134	S	54.7	Low	55.8	Low	30 Å²	30	86.8 Å²	86.8	21%	0.21	44%	0.443	C	S	.	.	S	Bend	trans	-77.1	146.9	-178.9	71.2	0	0	0	0	112.1	N131 T136 N137	N131-S134 PolarHBondContact O-N 3.06Å; N131-S134 PolarHBondContact O-OG 3.05Å; S134-T136 PolarHBondContact O-N 3.38Å; S134-T136 VanDerWaalsContact O-N 3.09Å; S134-T136 PolarHBondContact OG-OG1 3.43Å; S134-N137 PolarHBondContact O-N 3.22Å
135	E	57.2	Low	56.5	Low	129 Å²	129	86.4 Å²	86.4	60%	0.603	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-59.2	-26.1	-179.9	-68.2	-158.7	110.8	0	0	113.3	N137 I138 K402	E135-N137 PolarHBondContact O-N 2.89Å; E135-I138 HydrophobicContact CB-CD1 3.91Å; E135-I138 HydrophobicContact CG-CD1 4.09Å; E135-I138 WeakPolarHBondContact O-CB 3.43Å; E135-I138 WeakPolarHBondContact O-CD1 3.42Å; E135-I138 VanDerWaalsContact O-CG1 3.27Å; E135-I138 WeakPolarHBondContact O-CG1 3.3Å; E135-I138 PolarHBondContact O-N 2.69Å; E135-K402 IonicContact OE1-NZ 2.81Å; E135-K402 PolarHBondContact OE1-NZ 3.23Å
136	T	54.8	Low	57.1	Low	118 Å²	118	85.3 Å²	85.3	72%	0.724	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-63.4	-21.1	174.8	42.4	0	0	0	0	114.3	S134	S134-T136 PolarHBondContact O-N 3.38Å; S134-T136 VanDerWaalsContact O-N 3.09Å; S134-T136 PolarHBondContact OG-OG1 3.43Å
137	N	58.6	Low	57.5	Low	44 Å²	44	83.3 Å²	83.3	24%	0.235	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-96.6	6.6	176.4	-83.3	-41.8	0	0	0	113.9	N131 S134 E135 E139 V140 N141	N131-N137 PolarHBondContact O-ND2 3.31Å; S134-N137 PolarHBondContact O-N 3.22Å; E135-N137 PolarHBondContact O-N 2.89Å; N137-E139 VanDerWaalsContact C-N 3.28Å; N137-E139 PolarHBondContact O-N 2.78Å; N137-V140 PolarHBondContact O-N 2.99Å; N137-N141 WeakPolarHBondContact O-CB 3.45Å; N137-N141 PolarHBondContact O-N 3.46Å; N137-N141 PolarHBondContact O-ND2 3.31Å
138	I	62.9	Low	57.8	Low	98 Å²	98	80 Å²	80	50%	0.503	41%	0.411	S	S	.	.	H	α-helix	trans	-56.9	-41.9	177.6	-71.9	169.4	0	0	0	111.6	E135 N141 A142	E135-I138 HydrophobicContact CB-CD1 3.91Å; E135-I138 HydrophobicContact CG-CD1 4.09Å; E135-I138 WeakPolarHBondContact O-CB 3.43Å; E135-I138 WeakPolarHBondContact O-CD1 3.42Å; E135-I138 VanDerWaalsContact O-CG1 3.27Å; E135-I138 WeakPolarHBondContact O-CG1 3.3Å; E135-I138 PolarHBondContact O-N 2.69Å; I138-N141 PolarHBondContact O-N 3.1Å; I138-A142 VanDerWaalsContact O-CB 3.32Å; I138-A142 WeakPolarHBondContact O-CB 3.47Å; I138-A142 PolarHBondContact O-N 2.85Å
139	E	60.8	Low	58.4	Low	116 Å²	116	83 Å²	83	54%	0.542	42%	0.422	S	S	.	.	H	α-helix	trans	-67.3	-42.6	178.1	-178	57.5	-154	0	0	111.9	N137 N141 A142 Q143	N137-E139 VanDerWaalsContact C-N 3.28Å; N137-E139 PolarHBondContact O-N 2.78Å; E139-N141 VanDerWaalsContact C-N 3.33Å; E139-N141 PolarHBondContact O-N 3.03Å; E139-A142 PolarHBondContact O-N 3.49Å; E139-Q143 WeakPolarHBondContact O-CB 3.23Å; E139-Q143 WeakPolarHBondContact O-CG 3.36Å; E139-Q143 PolarHBondContact O-N 3.3Å; E139-Q143 WeakPolarHBondContact OE1-CG 3.31Å; E139-Q143 PolarHBondContact OE1-NE2 3.25Å
140	V	60.4	Low	58.7	Low	80 Å²	80	86.6 Å²	86.6	49%	0.485	43%	0.431	S	S	.	.	H	α-helix	trans	-62.6	-42.6	176.3	-179.9	0	0	0	0	110.7	N137 Q143 L144	N137-V140 PolarHBondContact O-N 2.99Å; V140-Q143 PolarHBondContact O-N 3.46Å; V140-L144 VanDerWaalsContact O-CB 3.3Å; V140-L144 WeakPolarHBondContact O-CB 3.03Å; V140-L144 PolarHBondContact O-N 3.04Å
141	N	59.7	Low	59	Low	50 Å²	50	84.3 Å²	84.3	27%	0.267	42%	0.423	S	S	.	.	H	α-helix	trans	-67.1	-37.6	176.5	-73.6	-27.1	0	0	0	111.8	F132 N137 I138 E139 E145	F132-N141 PolarHBondContact O-ND2 3.23Å; N137-N141 WeakPolarHBondContact O-CB 3.45Å; N137-N141 PolarHBondContact O-N 3.46Å; N137-N141 PolarHBondContact O-ND2 3.31Å; I138-N141 PolarHBondContact O-N 3.1Å; E139-N141 VanDerWaalsContact C-N 3.33Å; E139-N141 PolarHBondContact O-N 3.03Å; N141-E145 WeakPolarHBondContact O-CB 3.44Å; N141-E145 PolarHBondContact O-N 3.47Å
142	A	65.6	Low	59.4	Low	49 Å²	49	81.6 Å²	81.6	41%	0.405	41%	0.408	S	S	.	.	H	α-helix	trans	-68.2	-41	175	0	0	0	0	0	112.5	I138 E139 E145 S146	I138-A142 VanDerWaalsContact O-CB 3.32Å; I138-A142 WeakPolarHBondContact O-CB 3.47Å; I138-A142 PolarHBondContact O-N 2.85Å; E139-A142 PolarHBondContact O-N 3.49Å; A142-E145 PolarHBondContact O-N 3.15Å; A142-S146 WeakPolarHBondContact O-CB 3.37Å; A142-S146 PolarHBondContact O-N 3.34Å
143	Q	62.3	Low	59.9	Low	102 Å²	102	83.8 Å²	83.8	48%	0.477	42%	0.423	S	S	.	.	H	α-helix	trans	-65.1	-45.6	174.1	-71.8	179.6	16.1	0	0	111.1	E139 V140 E145 S146 I147	E139-Q143 WeakPolarHBondContact O-CB 3.23Å; E139-Q143 WeakPolarHBondContact O-CG 3.36Å; E139-Q143 PolarHBondContact O-N 3.3Å; E139-Q143 WeakPolarHBondContact OE1-CG 3.31Å; E139-Q143 PolarHBondContact OE1-NE2 3.25Å; V140-Q143 PolarHBondContact O-N 3.46Å; Q143-E145 PolarHBondContact O-N 3.36Å; Q143-S146 WeakPolarHBondContact O-CB 3.48Å; Q143-S146 PolarHBondContact O-N 2.84Å; Q143-S146 VanDerWaalsContact O-N 3.12Å; Q143-S146 PolarHBondContact O-OG 3.43Å; Q143-I147 WeakPolarHBondContact O-CG1 3.23Å; Q143-I147 PolarHBondContact O-N 2.8Å
144	L	58.1	Low	60.2	Low	34 Å²	34	82 Å²	82	18%	0.178	42%	0.42	C	S	.	.	H	α-helix	trans	-62	-42.9	175.9	-166.9	80.8	0	0	0	111.3	L72 A76 I79 V140 S146 I147 A148	L72-L144 HydrophobicContact CD2-CD2 4.45Å; A76-L144 HydrophobicContact CB-CD2 3.55Å; I79-L144 HydrophobicContact CD1-CD1 4.35Å; V140-L144 VanDerWaalsContact O-CB 3.3Å; V140-L144 WeakPolarHBondContact O-CB 3.03Å; V140-L144 PolarHBondContact O-N 3.04Å; L144-S146 VanDerWaalsContact C-N 3.31Å; L144-S146 PolarHBondContact O-N 3.29Å; L144-I147 PolarHBondContact O-N 3.26Å; L144-A148 VanDerWaalsContact O-CB 3.23Å; L144-A148 WeakPolarHBondContact O-CB 3.28Å; L144-A148 PolarHBondContact O-N 2.76Å
145	E	62.1	Low	60.3	Low	69 Å²	69	83.2 Å²	83.2	32%	0.322	42%	0.422	S	S	.	.	H	α-helix	trans	-60.1	-42.6	173.1	-158.3	-139.3	123.6	0	0	110.5	L72 N141 A142 Q143 I147 A148 R149 L152	L72-E145 HydrophobicContact CD1-CG 4.31Å; L72-E145 HydrophobicContact CD2-CB 4.2Å; L72-E145 HydrophobicContact CD2-CG 4.27Å; N141-E145 WeakPolarHBondContact O-CB 3.44Å; N141-E145 PolarHBondContact O-N 3.47Å; A142-E145 PolarHBondContact O-N 3.15Å; Q143-E145 PolarHBondContact O-N 3.36Å; E145-I147 PolarHBondContact O-N 3.09Å; E145-A148 PolarHBondContact O-N 3.46Å; E145-R149 VanDerWaalsContact O-CA 3.23Å; E145-R149 WeakPolarHBondContact O-CA 3.45Å; E145-R149 WeakPolarHBondContact O-CB 3.5Å; E145-R149 PolarHBondContact O-N 3.46Å; E145-R149 IonicContact OE1-CZ 2.81Å; E145-R149 IonicContact OE1-NE 3.99Å; E145-R149 PolarHBondContact OE1-NE 3.04Å; E145-R149 IonicContact OE1-NH2 2.75Å; E145-R149 PolarHBondContact OE1-NH2 2.81Å; E145-R149 IonicContact OE2-NH2 2.8Å; E145-L152 HydrophobicContact CG-CD1 4.34Å
146	S	65.4	Low	60.5	Low	76 Å²	76	78.3 Å²	78.3	53%	0.531	40%	0.399	S	S	.	.	H	α-helix	trans	-61.9	-40.3	179.4	82	0	0	0	0	113.2	A142 Q143 L144	A142-S146 WeakPolarHBondContact O-CB 3.37Å; A142-S146 PolarHBondContact O-N 3.34Å; Q143-S146 WeakPolarHBondContact O-CB 3.48Å; Q143-S146 PolarHBondContact O-N 2.84Å; Q143-S146 VanDerWaalsContact O-N 3.12Å; Q143-S146 PolarHBondContact O-OG 3.43Å; L144-S146 VanDerWaalsContact C-N 3.31Å; L144-S146 PolarHBondContact O-N 3.29Å
147	I	59.2	Low	60.7	Low	131 Å²	131	78.8 Å²	78.8	67%	0.672	40%	0.395	S	S	*	.	H	α-helix	trans	-71.8	-46.9	178.3	-66.1	164.2	0	0	0	110.3	Q143 L144 E145 R149	Q143-I147 WeakPolarHBondContact O-CG1 3.23Å; Q143-I147 PolarHBondContact O-N 2.8Å; L144-I147 PolarHBondContact O-N 3.26Å; E145-I147 PolarHBondContact O-N 3.09Å; I147-R149 VanDerWaalsContact C-N 3.35Å
148	A	60.4	Low	60.6	Low	6 Å²	6	78.8 Å²	78.8	5%	0.05	40%	0.395	C	S	.	.	H	α-helix	trans	-80.6	-11.2	-177.2	0	0	0	0	0	113.4	L144 E145 R150 I151 L152	L144-A148 VanDerWaalsContact O-CB 3.23Å; L144-A148 WeakPolarHBondContact O-CB 3.28Å; L144-A148 PolarHBondContact O-N 2.76Å; E145-A148 PolarHBondContact O-N 3.46Å; A148-R150 VanDerWaalsContact C-N 3.26Å; A148-R150 PolarHBondContact O-N 3.41Å; A148-I151 WeakPolarHBondContact O-CA 3.38Å; A148-I151 WeakPolarHBondContact O-CB 3.31Å; A148-I151 PolarHBondContact O-N 3.08Å; A148-L152 HydrophobicContact CB-CD1 3.6Å; A148-L152 HydrophobicContact CB-CG 3.89Å; A148-L152 WeakPolarHBondContact O-CG 3.46Å; A148-L152 PolarHBondContact O-N 3.5Å
149	R	64.8	Low	60.6	Low	139 Å²	139	78.1 Å²	78.1	53%	0.525	39%	0.392	S	S	.	.	H	α-helix	trans	-50	-42.5	-166.6	-170.7	168	-86.9	178	-4.2	113.4	E145 I147 T153	E145-R149 VanDerWaalsContact O-CA 3.23Å; E145-R149 WeakPolarHBondContact O-CA 3.45Å; E145-R149 WeakPolarHBondContact O-CB 3.5Å; E145-R149 PolarHBondContact O-N 3.46Å; E145-R149 IonicContact OE1-CZ 2.81Å; E145-R149 IonicContact OE1-NE 3.99Å; E145-R149 PolarHBondContact OE1-NE 3.04Å; E145-R149 IonicContact OE1-NH2 2.75Å; E145-R149 PolarHBondContact OE1-NH2 2.81Å; E145-R149 IonicContact OE2-NH2 2.8Å; I147-R149 VanDerWaalsContact C-N 3.35Å; R149-T153 HydrophobicContact CG-CG2 4.47Å; R149-T153 WeakPolarHBondContact O-CB 3.44Å; R149-T153 WeakPolarHBondContact O-CG2 3.33Å; R149-T153 PolarHBondContact O-N 2.86Å; R149-T153 PolarHBondContact O-OG1 3.44Å
150	R	58.5	Low	61.1	Low	185 Å²	185	72.7 Å²	72.7	70%	0.698	37%	0.367	S	S	*	.	H	α-helix	trans	-63.7	-50.9	177.9	-71.5	-171.3	59.7	-179.5	-6.2	112.3	A148 L152 T153 E154	A148-R150 VanDerWaalsContact C-N 3.26Å; A148-R150 PolarHBondContact O-N 3.41Å; R150-L152 VanDerWaalsContact C-N 3.32Å; R150-L152 PolarHBondContact O-N 2.96Å; R150-T153 WeakPolarHBondContact CA-OG1 3.4Å; R150-T153 PolarHBondContact O-N 2.98Å; R150-T153 PolarHBondContact O-OG1 2.97Å; R150-E154 IonicContact NH2-OE1 2.64Å; R150-E154 WeakPolarHBondContact O-CG 3.19Å; R150-E154 PolarHBondContact O-N 2.93Å
151	I	59.1	Low	61.8	Low	91 Å²	91	71.2 Å²	71.2	47%	0.467	36%	0.36	S	S	.	.	H	α-helix	trans	-59.9	-45.6	177.7	-59	171.5	0	0	0	109.7	A148 T153 E154 E155	A148-I151 WeakPolarHBondContact O-CA 3.38Å; A148-I151 WeakPolarHBondContact O-CB 3.31Å; A148-I151 PolarHBondContact O-N 3.08Å; I151-T153 PolarHBondContact O-N 3.2Å; I151-E154 PolarHBondContact O-N 2.97Å; I151-E155 WeakPolarHBondContact O-CB 3.18Å; I151-E155 WeakPolarHBondContact O-CG 3.48Å; I151-E155 PolarHBondContact O-N 2.97Å
152	L	58.6	Low	62.9	Low	13 Å²	13	69.4 Å²	69.4	7%	0.068	35%	0.35	C	S	.	.	H	α-helix	trans	-62.3	-40.6	176.5	-67.9	168.1	0	0	0	112.5	R71 L72 E145 A148 R150 E156	R71-L152 HydrophobicContact CG-CD2 3.83Å; L72-L152 HydrophobicContact CD2-CD1 3.51Å; L72-L152 HydrophobicContact CG-CD1 3.92Å; L72-L152 HydrophobicContact CG-CD2 4.39Å; E145-L152 HydrophobicContact CG-CD1 4.34Å; A148-L152 HydrophobicContact CB-CD1 3.6Å; A148-L152 HydrophobicContact CB-CG 3.89Å; A148-L152 WeakPolarHBondContact O-CG 3.46Å; A148-L152 PolarHBondContact O-N 3.5Å; R150-L152 VanDerWaalsContact C-N 3.32Å; R150-L152 PolarHBondContact O-N 2.96Å; L152-E156 VanDerWaalsContact O-CB 3.26Å; L152-E156 WeakPolarHBondContact O-CB 3.3Å; L152-E156 WeakPolarHBondContact O-CG 3.33Å; L152-E156 PolarHBondContact O-N 3.48Å
153	T	61.3	Low	63.8	Low	66 Å²	66	68.4 Å²	68.4	41%	0.405	34%	0.338	S	S	.	.	H	α-helix	trans	-68.7	-38.3	176	48.8	0	0	0	0	112.7	R149 R150 I151 M157	R149-T153 HydrophobicContact CG-CG2 4.47Å; R149-T153 WeakPolarHBondContact O-CB 3.44Å; R149-T153 WeakPolarHBondContact O-CG2 3.33Å; R149-T153 PolarHBondContact O-N 2.86Å; R149-T153 PolarHBondContact O-OG1 3.44Å; R150-T153 WeakPolarHBondContact CA-OG1 3.4Å; R150-T153 PolarHBondContact O-N 2.98Å; R150-T153 PolarHBondContact O-OG1 2.97Å; I151-T153 PolarHBondContact O-N 3.2Å; T153-M157 WeakPolarHBondContact O-CB 3.48Å; T153-M157 VanDerWaalsContact O-CG 3.3Å; T153-M157 WeakPolarHBondContact O-CG 3.28Å; T153-M157 PolarHBondContact O-N 3.13Å
154	E	58.9	Low	65.1	Low	95 Å²	95	67.1 Å²	67.1	44%	0.444	33%	0.331	S	S	.	.	H	α-helix	trans	-69.3	-41.6	176.7	-70.2	172.3	-154.4	0	0	110.6	R150 I151 M157 N158	R150-E154 IonicContact NH2-OE1 2.64Å; R150-E154 WeakPolarHBondContact O-CG 3.19Å; R150-E154 PolarHBondContact O-N 2.93Å; I151-E154 PolarHBondContact O-N 2.97Å; E154-M157 PolarHBondContact O-N 2.82Å; E154-N158 VanDerWaalsContact O-CB 3.28Å; E154-N158 WeakPolarHBondContact O-CB 3.38Å; E154-N158 PolarHBondContact O-N 2.89Å; E154-N158 PolarHBondContact O-ND2 3.27Å; E154-N158 VanDerWaalsContact O-ND2 3.15Å
155	E	58	Low	66.5	Low	56 Å²	56	70.2 Å²	70.2	26%	0.262	34%	0.341	S	S	.	.	H	α-helix	trans	-68.9	-35.2	172.7	-76.1	-173.2	-170.8	0	0	113.8	R71 H75 I151 N158 N159 S160	R71-E155 WeakPolarHBondContact CD-OE2 3.11Å; R71-E155 IonicContact NE-OE2 3.16Å; H75-E155 IonicContact CD2-OE2 2.96Å; H75-E155 IonicContact CE1-OE1 3.26Å; H75-E155 PolarHBondContact CE1-OE1 3.09Å; H75-E155 IonicContact CE1-OE2 3.18Å; H75-E155 VanDerWaalsContact NE2-CD 3.28Å; H75-E155 IonicContact NE2-OE1 3.14Å; H75-E155 PolarHBondContact NE2-OE1 3.35Å; H75-E155 IonicContact NE2-OE2 2.66Å; H75-E155 PolarHBondContact NE2-OE2 2.98Å; I151-E155 WeakPolarHBondContact O-CB 3.18Å; I151-E155 WeakPolarHBondContact O-CG 3.48Å; I151-E155 PolarHBondContact O-N 2.97Å; E155-N158 PolarHBondContact O-N 3.43Å; E155-N159 CarbonylContact O-C 3.35Å; E155-N159 VanDerWaalsContact O-CA 3.26Å; E155-N159 WeakPolarHBondContact O-CA 3.28Å; E155-N159 WeakPolarHBondContact O-CB 3.47Å; E155-N159 PolarHBondContact O-N 3.37Å; E155-S160 PolarHBondContact O-N 2.88Å
156	E	60.8	Low	67.7	Low	26 Å²	26	67.8 Å²	67.8	12%	0.121	33%	0.329	C	S	.	.	H	α-helix	trans	-65	-41.8	172.9	-90.2	-165.7	-128.6	0	0	111.8	R64 R68 L152 N158 S160	R64-E156 IonicContact CZ-OE2 3.23Å; R64-E156 IonicContact NE-OE2 3.9Å; R64-E156 PolarHBondContact NE-OE2 3.46Å; R64-E156 IonicContact NH2-OE2 3.66Å; R64-E156 PolarHBondContact NH2-OE2 3.31Å; R68-E156 IonicContact CZ-OE1 3.63Å; R68-E156 IonicContact CZ-OE2 3.19Å; R68-E156 IonicContact NE-OE1 2.78Å; R68-E156 PolarHBondContact NE-OE1 3.16Å; R68-E156 IonicContact NE-OE2 2.6Å; R68-E156 PolarHBondContact NE-OE2 3.28Å; R68-E156 VanDerWaalsContact NE-OE2 3.1Å; R68-E156 IonicContact NH2-OE1 2.73Å; R68-E156 PolarHBondContact NH2-OE1 3.19Å; R68-E156 IonicContact NH2-OE2 2.72Å; R68-E156 PolarHBondContact NH2-OE2 2.99Å; L152-E156 VanDerWaalsContact O-CB 3.26Å; L152-E156 WeakPolarHBondContact O-CB 3.3Å; L152-E156 WeakPolarHBondContact O-CG 3.33Å; L152-E156 PolarHBondContact O-N 3.48Å; E156-N158 VanDerWaalsContact C-N 3.34Å; E156-S160 WeakPolarHBondContact O-CB 3.43Å; E156-S160 PolarHBondContact O-N 3.25Å
157	M	59.4	Low	68.9	Low	129 Å²	129	64.1 Å²	64.1	64%	0.635	30%	0.304	S	S	*	.	H	α-helix	trans	-68	-35.4	177.7	-74.3	-178.2	63.1	0	0	111.9	T153 E154 L631	T153-M157 WeakPolarHBondContact O-CB 3.48Å; T153-M157 VanDerWaalsContact O-CG 3.3Å; T153-M157 WeakPolarHBondContact O-CG 3.28Å; T153-M157 PolarHBondContact O-N 3.13Å; E154-M157 PolarHBondContact O-N 2.82Å; M157-L631 HydrophobicContact CB-CD1 4.41Å; M157-L631 WeakPolarHBondContact O-CD1 3.19Å
158	N	56	Low	70.5	Confident	44 Å²	44	58.6 Å²	58.6	24%	0.235	28%	0.276	C	S	.	.	H	α-helix	trans	-92.2	-36.9	-173.6	-63.5	-20.2	0	0	0	114.7	E154 E155 E156 I627 L631 K634	E154-N158 VanDerWaalsContact O-CB 3.28Å; E154-N158 WeakPolarHBondContact O-CB 3.38Å; E154-N158 PolarHBondContact O-N 2.89Å; E154-N158 PolarHBondContact O-ND2 3.27Å; E154-N158 VanDerWaalsContact O-ND2 3.15Å; E155-N158 PolarHBondContact O-N 3.43Å; E156-N158 VanDerWaalsContact C-N 3.34Å; N158-I627 VanDerWaalsContact OD1-CG2 3.26Å; N158-I627 WeakPolarHBondContact OD1-CG2 3.45Å; N158-L631 HydrophobicContact CB-CD2 4.37Å; N158-L631 WeakPolarHBondContact OD1-CD1 3.33Å; N158-K634 PolarHBondContact O-NZ 3.37Å
159	N	63.7	Low	72	Confident	83 Å²	83	58.8 Å²	58.8	44%	0.444	28%	0.276	S	S	.	.	H	α-helix	trans	-137.9	16.4	-161.4	-65.5	-39.2	0	0	0	113.6	R71 E155 S161	R71-N159 PolarHBondContact NH2-O 3.12Å; E155-N159 CarbonylContact O-C 3.35Å; E155-N159 VanDerWaalsContact O-CA 3.26Å; E155-N159 WeakPolarHBondContact O-CA 3.28Å; E155-N159 WeakPolarHBondContact O-CB 3.47Å; E155-N159 PolarHBondContact O-N 3.37Å; N159-S161 PolarHBondContact O-N 2.93Å
160	S	70.3	Confident	73.4	Confident	3 Å²	3	53 Å²	53	2%	0.021	25%	0.254	C	S	.	.			trans	-68.1	123.6	171	171.8	0	0	0	0	111.1	E67 E155 E156 W162 N163	E67-S160 WeakPolarHBondContact OE1-CA 3.32Å; E67-S160 PolarHBondContact OE1-OG 2.9Å; E67-S160 PolarHBondContact OE2-OG 3.45Å; E155-S160 PolarHBondContact O-N 2.88Å; E156-S160 WeakPolarHBondContact O-CB 3.43Å; E156-S160 PolarHBondContact O-N 3.25Å; S160-W162 PolarHBondContact OG-N 2.88Å; S160-N163 PolarHBondContact O-ND2 2.77Å; S160-N163 PolarHBondContact OG-N 3.14Å
161	S	75.3	Confident	75.1	Confident	49 Å²	49	44.2 Å²	44.2	34%	0.343	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-35.6	177.4	-64	0	0	0	0	112.1	E67 N159 E166	E67-S161 PolarHBondContact OE1-N 3.46Å; E67-S161 PolarHBondContact OE2-N 3.44Å; N159-S161 PolarHBondContact O-N 2.93Å; S161-E166 WeakPolarHBondContact O-CB 3.45Å
162	W	82.3	Confident	76.8	Confident	11 Å²	11	40.7 Å²	40.7	4%	0.042	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	46.5	176.4	-65.8	105.4	0	0	0	112	L59 E63 R64 E67 S160 F170	L59-W162 HydrophobicContact CB-CE3 4.13Å; L59-W162 HydrophobicContact CB-CZ3 3.79Å; L59-W162 HydrophobicContact CD1-CZ3 4.24Å; L59-W162 HydrophobicContact CG-CZ3 4.46Å; E63-W162 HydrophobicContact CB-CB 4.34Å; E63-W162 HydrophobicContact CB-CD2 3.62Å; E63-W162 HydrophobicContact CB-CE3 4.32Å; E63-W162 HydrophobicContact CB-CG 3.58Å; E63-W162 HydrophobicContact CB-CZ2 4.39Å; E63-W162 HydrophobicContact CG-CD2 4.16Å; E63-W162 HydrophobicContact CG-CZ2 4.14Å; R64-W162 HydrophobicContact CB-CB 4.19Å; E67-W162 WeakPolarHBondContact OE2-CB 3.37Å; E67-W162 PolarHBondContact OE2-N 2.85Å; S160-W162 PolarHBondContact OG-N 2.88Å; W162-F170 AromaticContact CH2-CD1 3.9Å; W162-F170 HydrophobicContact CH2-CD1 3.9Å; W162-F170 HydrophobicContact CH2-CD2 4.33Å; W162-F170 HydrophobicContact CH2-CE1 4.01Å; W162-F170 HydrophobicContact CH2-CE2 4.43Å; W162-F170 HydrophobicContact CH2-CG 4.07Å; W162-F170 HydrophobicContact CH2-CZ 4.28Å; W162-F170 HydrophobicContact CZ3-CD1 4Å; W162-F170 HydrophobicContact CZ3-CE1 4.46Å; W162-F170 HydrophobicContact CZ3-CG 4.26Å
163	N	85.4	Confident	78.5	Confident	29 Å²	29	40.3 Å²	40.3	16%	0.155	20%	0.201	C	C	.	.	S	Bend	trans	-80.7	164.4	159.7	83	64.4	0	0	0	110.6	S160 Y165 E166 S167	S160-N163 PolarHBondContact O-ND2 2.77Å; S160-N163 PolarHBondContact OG-N 3.14Å; N163-Y165 PolarHBondContact O-N 3Å; N163-Y165 PolarHBondContact OD1-N 3.5Å; N163-E166 WeakPolarHBondContact ND2-CG 3.36Å; N163-E166 PolarHBondContact OD1-N 2.88Å; N163-S167 VanDerWaalsContact O-CB 3.29Å; N163-S167 WeakPolarHBondContact O-CB 3.43Å; N163-S167 PolarHBondContact O-N 3Å; N163-S167 PolarHBondContact O-OG 3.36Å
164	F	89	Confident	80.1	Confident	75 Å²	75	38.7 Å²	38.7	33%	0.329	19%	0.191	S	C	.	.	H	α-helix	trans	-61.5	-39.6	-173.2	178.3	-102	0	0	0	113.9	C53 A56 L57 S167 V168	C53-F164 HydrophobicContact CB-CE2 4.49Å; C53-F164 HydrophobicContact CB-CZ 4.04Å; A56-F164 HydrophobicContact CB-CD2 4.4Å; A56-F164 HydrophobicContact CB-CE2 4.21Å; L57-F164 HydrophobicContact CB-CE2 4.44Å; F164-S167 PolarHBondContact O-N 3.37Å; F164-V168 HydrophobicContact CD1-CG2 4.38Å; F164-V168 HydrophobicContact CE1-CG2 3.92Å; F164-V168 HydrophobicContact CE2-CG2 4.16Å; F164-V168 HydrophobicContact CZ-CG2 3.8Å; F164-V168 WeakPolarHBondContact O-CG2 3.29Å; F164-V168 PolarHBondContact O-N 3.06Å
165	Y	88.1	Confident	81.9	Confident	99 Å²	99	34.2 Å²	34.2	39%	0.388	17%	0.17	S	C	.	.	H	α-helix	trans	-74.3	-41.1	-176.4	-59.4	-80.1	0	0	0	111.8	N163 S167 V168 F169 N635 V639	N163-Y165 PolarHBondContact O-N 3Å; N163-Y165 PolarHBondContact OD1-N 3.5Å; Y165-S167 VanDerWaalsContact C-N 3.3Å; Y165-V168 PolarHBondContact O-N 2.92Å; Y165-F169 WeakPolarHBondContact O-CB 3.44Å; Y165-F169 PolarHBondContact O-N 3.36Å; Y165-N635 HydrophobicContact CD1-CB 4.1Å; Y165-N635 HydrophobicContact CD2-CB 3.67Å; Y165-N635 VanDerWaalsContact CD2-OD1 3.31Å; Y165-N635 WeakPolarHBondContact CD2-OD1 3.18Å; Y165-N635 HydrophobicContact CE1-CB 4.3Å; Y165-N635 HydrophobicContact CE2-CB 3.9Å; Y165-N635 HydrophobicContact CG-CB 3.77Å; Y165-V639 HydrophobicContact CD1-CG2 3.83Å; Y165-V639 HydrophobicContact CE1-CG2 4.5Å
166	E	86.5	Confident	83.6	Confident	17 Å²	17	31.7 Å²	31.7	8%	0.079	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-38.4	170.6	-63.2	-69.6	178.6	0	0	111.1	S161 N163 F169 F170 R638	S161-E166 WeakPolarHBondContact O-CB 3.45Å; N163-E166 WeakPolarHBondContact ND2-CG 3.36Å; N163-E166 PolarHBondContact OD1-N 2.88Å; E166-F169 PolarHBondContact O-N 3.14Å; E166-F170 WeakPolarHBondContact O-CB 3.48Å; E166-F170 PolarHBondContact O-N 3.04Å; E166-R638 VanDerWaalsContact CD-NH2 3.25Å; E166-R638 IonicContact OE1-CZ 3.61Å; E166-R638 VanDerWaalsContact OE1-CZ 3.26Å; E166-R638 IonicContact OE1-NE 3.86Å; E166-R638 PolarHBondContact OE1-NE 3.13Å; E166-R638 IonicContact OE1-NH2 3.68Å; E166-R638 PolarHBondContact OE1-NH2 2.76Å; E166-R638 IonicContact OE2-CZ 2.72Å; E166-R638 IonicContact OE2-NE 3.17Å; E166-R638 PolarHBondContact OE2-NE 3.19Å; E166-R638 IonicContact OE2-NH2 3.73Å; E166-R638 PolarHBondContact OE2-NH2 3.37Å
167	S	91.3	Very high	85.2	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.7	-39	174.8	-57.6	0	0	0	0	112.3	A56 T60 N163 F164 Y165 F170 V171	A56-S167 WeakPolarHBondContact O-CB 3.49Å; T60-S167 PolarHBondContact OG1-OG 2.78Å; N163-S167 VanDerWaalsContact O-CB 3.29Å; N163-S167 WeakPolarHBondContact O-CB 3.43Å; N163-S167 PolarHBondContact O-N 3Å; N163-S167 PolarHBondContact O-OG 3.36Å; F164-S167 PolarHBondContact O-N 3.37Å; Y165-S167 VanDerWaalsContact C-N 3.3Å; S167-F170 PolarHBondContact O-N 3Å; S167-V171 WeakPolarHBondContact O-CB 3.48Å; S167-V171 VanDerWaalsContact O-CG2 3.29Å; S167-V171 WeakPolarHBondContact O-CG2 3.36Å; S167-V171 PolarHBondContact O-N 2.96Å
168	V	92.7	Very high	86.9	Confident	14 Å²	14	28.5 Å²	28.5	9%	0.085	15%	0.149	C	C	.	.	H	α-helix	trans	-64.8	-41.2	172.9	167.4	0	0	0	0	110.8	A56 F164 Y165 V171 I172	A56-V168 HydrophobicContact CB-CB 4.18Å; A56-V168 HydrophobicContact CB-CG2 3.41Å; A56-V168 VanDerWaalsContact CB-CG2 3.41Å; F164-V168 HydrophobicContact CD1-CG2 4.38Å; F164-V168 HydrophobicContact CE1-CG2 3.92Å; F164-V168 HydrophobicContact CE2-CG2 4.16Å; F164-V168 HydrophobicContact CZ-CG2 3.8Å; F164-V168 WeakPolarHBondContact O-CG2 3.29Å; F164-V168 PolarHBondContact O-N 3.06Å; Y165-V168 PolarHBondContact O-N 2.92Å; V168-V171 PolarHBondContact O-N 3.35Å; V168-I172 HydrophobicContact CG1-CD1 3.79Å; V168-I172 WeakPolarHBondContact O-CB 3.36Å; V168-I172 WeakPolarHBondContact O-CG1 3.5Å; V168-I172 PolarHBondContact O-N 3Å
169	F	92.3	Very high	88.6	Confident	10 Å²	10	28.2 Å²	28.2	4%	0.044	16%	0.156	C	C	.	.	H	α-helix	trans	-64.1	-43.9	176.3	-172.7	-96.1	0	0	0	112.1	Y165 E166 I172 T173 Y180 V615 T641 A642 L645	Y165-F169 WeakPolarHBondContact O-CB 3.44Å; Y165-F169 PolarHBondContact O-N 3.36Å; E166-F169 PolarHBondContact O-N 3.14Å; F169-I172 PolarHBondContact O-N 2.96Å; F169-T173 HydrophobicContact CD1-CG2 4.13Å; F169-T173 HydrophobicContact CE1-CG2 3.85Å; F169-T173 HydrophobicContact CE2-CG2 4.4Å; F169-T173 HydrophobicContact CZ-CG2 4.01Å; F169-T173 WeakPolarHBondContact O-CB 3.22Å; F169-T173 WeakPolarHBondContact O-CG2 3.35Å; F169-T173 PolarHBondContact O-N 2.89Å; F169-T173 PolarHBondContact O-OG1 2.9Å; F169-Y180 AromaticContact CE1-CD2 3.85Å; F169-Y180 HydrophobicContact CE1-CD2 3.85Å; F169-Y180 AromaticContact CE1-CE2 3.68Å; F169-Y180 HydrophobicContact CE1-CE2 3.68Å; F169-Y180 HydrophobicContact CZ-CD2 4.26Å; F169-Y180 AromaticContact CZ-CE2 3.61Å; F169-Y180 HydrophobicContact CZ-CE2 3.61Å; F169-V615 HydrophobicContact CE1-CG1 3.54Å; F169-V615 HydrophobicContact CZ-CG1 3.69Å; F169-T641 HydrophobicContact CE2-CG2 3.74Å; F169-T641 HydrophobicContact CZ-CG2 4.29Å; F169-A642 HydrophobicContact CD2-CB 4.03Å; F169-L645 HydrophobicContact CE2-CD1 4.14Å; F169-L645 HydrophobicContact CZ-CD1 4.26Å
170	F	93.4	Very high	89.8	Confident	17 Å²	17	24.7 Å²	24.7	8%	0.075	14%	0.137	C	C	.	.	H	α-helix	trans	-57.8	-52.4	171.4	175	-97.5	0	0	0	111.7	L59 W162 E166 S167 I172 T173 V174 I183	L59-F170 HydrophobicContact CD1-CD1 3.71Å; L59-F170 HydrophobicContact CD1-CE1 3.67Å; W162-F170 AromaticContact CH2-CD1 3.9Å; W162-F170 HydrophobicContact CH2-CD1 3.9Å; W162-F170 HydrophobicContact CH2-CD2 4.33Å; W162-F170 HydrophobicContact CH2-CE1 4.01Å; W162-F170 HydrophobicContact CH2-CE2 4.43Å; W162-F170 HydrophobicContact CH2-CG 4.07Å; W162-F170 HydrophobicContact CH2-CZ 4.28Å; W162-F170 HydrophobicContact CZ3-CD1 4Å; W162-F170 HydrophobicContact CZ3-CE1 4.46Å; W162-F170 HydrophobicContact CZ3-CG 4.26Å; E166-F170 WeakPolarHBondContact O-CB 3.48Å; E166-F170 PolarHBondContact O-N 3.04Å; S167-F170 PolarHBondContact O-N 3Å; F170-I172 VanDerWaalsContact C-N 3.32Å; F170-I172 PolarHBondContact O-N 3.37Å; F170-T173 WeakPolarHBondContact CA-OG1 3.43Å; F170-T173 PolarHBondContact O-N 3.34Å; F170-T173 PolarHBondContact O-OG1 3.32Å; F170-V174 HydrophobicContact CD2-CG2 4.09Å; F170-V174 HydrophobicContact CE1-CG2 4.23Å; F170-V174 HydrophobicContact CE2-CG2 3.72Å; F170-V174 HydrophobicContact CZ-CG2 3.79Å; F170-V174 WeakPolarHBondContact O-CG2 3.23Å; F170-V174 PolarHBondContact O-N 3.39Å; F170-I183 HydrophobicContact CB-CD1 4.12Å; F170-I183 HydrophobicContact CB-CG1 4.4Å; F170-I183 HydrophobicContact CD2-CD1 4.47Å; F170-I183 HydrophobicContact CD2-CG1 3.89Å; F170-I183 VanDerWaalsContact CE2-O 3.27Å; F170-I183 WeakPolarHBondContact CE2-O 3.47Å; F170-I183 HydrophobicContact CG-CG1 4.44Å
171	V	95.2	Very high	90.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-59.7	-44.8	-178.9	170.3	0	0	0	0	111.2	C52 A56 L59 S167 V168 I175 L197	C52-V171 HydrophobicContact CB-CG1 4.3Å; A56-V171 HydrophobicContact CB-CG2 4.41Å; L59-V171 HydrophobicContact CD1-CG2 3.73Å; S167-V171 WeakPolarHBondContact O-CB 3.48Å; S167-V171 VanDerWaalsContact O-CG2 3.29Å; S167-V171 WeakPolarHBondContact O-CG2 3.36Å; S167-V171 PolarHBondContact O-N 2.96Å; V168-V171 PolarHBondContact O-N 3.35Å; V171-I175 HydrophobicContact CG1-CD1 4.44Å; V171-I175 VanDerWaalsContact O-CG1 3.31Å; V171-I175 WeakPolarHBondContact O-CG1 3.46Å; V171-I175 WeakPolarHBondContact O-CG2 3.32Å; V171-I175 PolarHBondContact O-N 2.92Å; V171-I175 VanDerWaalsContact O-N 3.1Å; V171-L197 HydrophobicContact CB-CD2 4.37Å; V171-L197 HydrophobicContact CG1-CD2 3.92Å; V171-L197 HydrophobicContact CG2-CD2 3.62Å
172	I	94.3	Very high	90.8	Very high	18 Å²	18	28 Å²	28	9%	0.092	17%	0.167	C	C	.	.	H	α-helix	trans	-62.2	-47.6	176.8	-73.2	170	0	0	0	111.1	C52 V168 F169 F170 V174 I175 T176 A642 V646	C52-I172 HydrophobicContact CB-CG1 4.32Å; V168-I172 HydrophobicContact CG1-CD1 3.79Å; V168-I172 WeakPolarHBondContact O-CB 3.36Å; V168-I172 WeakPolarHBondContact O-CG1 3.5Å; V168-I172 PolarHBondContact O-N 3Å; F169-I172 PolarHBondContact O-N 2.96Å; F170-I172 VanDerWaalsContact C-N 3.32Å; F170-I172 PolarHBondContact O-N 3.37Å; I172-V174 VanDerWaalsContact C-N 3.33Å; I172-V174 PolarHBondContact O-N 2.97Å; I172-I175 WeakPolarHBondContact O-CG1 3.49Å; I172-I175 PolarHBondContact O-N 3.1Å; I172-T176 HydrophobicContact CG2-CG2 4.31Å; I172-T176 WeakPolarHBondContact O-CB 3.15Å; I172-T176 WeakPolarHBondContact O-CG2 3.44Å; I172-T176 PolarHBondContact O-N 2.74Å; I172-T176 PolarHBondContact O-OG1 3.22Å; I172-A642 HydrophobicContact CB-CB 4.43Å; I172-A642 HydrophobicContact CD1-CB 3.7Å; I172-A642 HydrophobicContact CG2-CB 4.19Å; I172-V646 HydrophobicContact CG2-CG2 3.72Å
173	T	94.4	Very high	90.9	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.025	17%	0.173	C	C	.	.	H	α-helix	trans	-67.2	-29.5	-176.7	52	0	0	0	0	113.7	F169 F170 T176 T177 I178 G179 Y180 L645	F169-T173 HydrophobicContact CD1-CG2 4.13Å; F169-T173 HydrophobicContact CE1-CG2 3.85Å; F169-T173 HydrophobicContact CE2-CG2 4.4Å; F169-T173 HydrophobicContact CZ-CG2 4.01Å; F169-T173 WeakPolarHBondContact O-CB 3.22Å; F169-T173 WeakPolarHBondContact O-CG2 3.35Å; F169-T173 PolarHBondContact O-N 2.89Å; F169-T173 PolarHBondContact O-OG1 2.9Å; F170-T173 WeakPolarHBondContact CA-OG1 3.43Å; F170-T173 PolarHBondContact O-N 3.34Å; F170-T173 PolarHBondContact O-OG1 3.32Å; T173-T176 WeakPolarHBondContact CA-OG1 3.42Å; T173-T176 PolarHBondContact O-OG1 2.84Å; T173-T177 PolarHBondContact O-N 3.36Å; T173-I178 PolarHBondContact O-N 3.33Å; T173-G179 PolarHBondContact O-N 3.38Å; T173-Y180 HydrophobicContact CG2-CD2 3.64Å; T173-Y180 HydrophobicContact CG2-CE2 3.37Å; T173-L645 HydrophobicContact CG2-CD1 3.74Å
174	V	95.2	Very high	91.2	Very high	32 Å²	32	31.1 Å²	31.1	19%	0.194	19%	0.189	C	C	.	.	H	α-helix	trans	-80.8	-38	175.5	-171.4	0	0	0	0	111.8	F170 I172 T176 T177 V198	F170-V174 HydrophobicContact CD2-CG2 4.09Å; F170-V174 HydrophobicContact CE1-CG2 4.23Å; F170-V174 HydrophobicContact CE2-CG2 3.72Å; F170-V174 HydrophobicContact CZ-CG2 3.79Å; F170-V174 WeakPolarHBondContact O-CG2 3.23Å; F170-V174 PolarHBondContact O-N 3.39Å; I172-V174 VanDerWaalsContact C-N 3.33Å; I172-V174 PolarHBondContact O-N 2.97Å; V174-T176 VanDerWaalsContact C-N 3.34Å; V174-T176 PolarHBondContact O-N 3.08Å; V174-T177 WeakPolarHBondContact O-CA 3.35Å; V174-T177 PolarHBondContact O-N 3.32Å; V174-V198 HydrophobicContact CB-CG2 4.31Å; V174-V198 HydrophobicContact CG1-CG1 4.36Å; V174-V198 HydrophobicContact CG1-CG2 3.4Å; V174-V198 VanDerWaalsContact CG1-CG2 3.4Å
175	I	95.3	Very high	91.4	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-75.4	-20.8	176.3	72.5	-173.1	0	0	0	113.4	Y48 C52 V171 I172 N205	Y48-I175 HydrophobicContact CE2-CD1 4.12Å; Y48-I175 WeakPolarHBondContact OH-CD1 3.22Å; C52-I175 VanDerWaalsContact SG-CD1 3.56Å; V171-I175 HydrophobicContact CG1-CD1 4.44Å; V171-I175 VanDerWaalsContact O-CG1 3.31Å; V171-I175 WeakPolarHBondContact O-CG1 3.46Å; V171-I175 WeakPolarHBondContact O-CG2 3.32Å; V171-I175 PolarHBondContact O-N 2.92Å; V171-I175 VanDerWaalsContact O-N 3.1Å; I172-I175 WeakPolarHBondContact O-CG1 3.49Å; I172-I175 PolarHBondContact O-N 3.1Å; I175-N205 WeakPolarHBondContact O-CB 3.42Å; I175-N205 PolarHBondContact O-ND2 3.44Å
176	T	94.5	Very high	91.4	Very high	4 Å²	4	27.8 Å²	27.8	3%	0.025	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	3.7	164.8	60.4	0	0	0	0	113.5	I172 T173 V174 I178 N205 V646	I172-T176 HydrophobicContact CG2-CG2 4.31Å; I172-T176 WeakPolarHBondContact O-CB 3.15Å; I172-T176 WeakPolarHBondContact O-CG2 3.44Å; I172-T176 PolarHBondContact O-N 2.74Å; I172-T176 PolarHBondContact O-OG1 3.22Å; T173-T176 WeakPolarHBondContact CA-OG1 3.42Å; T173-T176 PolarHBondContact O-OG1 2.84Å; V174-T176 VanDerWaalsContact C-N 3.34Å; V174-T176 PolarHBondContact O-N 3.08Å; T176-I178 PolarHBondContact O-N 2.86Å; T176-I178 WeakPolarHBondContact OG1-CD1 3.29Å; T176-I178 WeakPolarHBondContact OG1-CG1 3.37Å; T176-N205 WeakPolarHBondContact CA-ND2 3.42Å; T176-V646 HydrophobicContact CG2-CG2 4.08Å
177	T	95.5	Very high	91.7	Very high	82 Å²	82	28.1 Å²	28.1	50%	0.503	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	18	-179.7	57.2	0	0	0	0	115.4	T173 V174 I202	T173-T177 PolarHBondContact O-N 3.36Å; V174-T177 WeakPolarHBondContact O-CA 3.35Å; V174-T177 PolarHBondContact O-N 3.32Å; T177-I202 HydrophobicContact CG2-CD1 3.54Å; T177-I202 HydrophobicContact CG2-CG1 3.81Å; T177-I202 HydrophobicContact CG2-CG2 4.31Å
178	I	94.4	Very high	91.9	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.031	22%	0.215	C	C	.	.			trans	-78.7	-46.5	176.1	-56.1	172.6	0	0	0	110.4	T173 T176 Y180 S605 A608 G610 L645	T173-I178 PolarHBondContact O-N 3.33Å; T176-I178 PolarHBondContact O-N 2.86Å; T176-I178 WeakPolarHBondContact OG1-CD1 3.29Å; T176-I178 WeakPolarHBondContact OG1-CG1 3.37Å; I178-Y180 HydrophobicContact CG2-CD1 4.06Å; I178-Y180 HydrophobicContact CG2-CE1 3.68Å; I178-Y180 HydrophobicContact CG2-CE2 4.26Å; I178-Y180 HydrophobicContact CG2-CG 4.49Å; I178-Y180 PolarHBondContact O-N 2.98Å; I178-S605 VanDerWaalsContact CD1-O 3.31Å; I178-S605 WeakPolarHBondContact CD1-O 3.02Å; I178-S605 WeakPolarHBondContact CG1-O 3.39Å; I178-A608 HydrophobicContact CG1-CB 4.18Å; I178-G610 WeakPolarHBondContact O-CA 3.32Å; I178-L645 HydrophobicContact CD1-CB 4.04Å; I178-L645 HydrophobicContact CD1-CD1 4.05Å; I178-L645 HydrophobicContact CD1-CD2 4.02Å; I178-L645 HydrophobicContact CD1-CG 4.24Å
179	G	91.2	Very high	91.9	Very high	38 Å²	38	38.2 Å²	38.2	39%	0.392	23%	0.233	S	C	.	.			trans	57	47.2	163.8	0	0	0	0	0	117.4	T173 G181	T173-G179 PolarHBondContact O-N 3.38Å; G179-G181 PolarHBondContact O-N 3.29Å
180	Y	89.6	Confident	92	Very high	9 Å²	9	37.7 Å²	37.7	4%	0.035	23%	0.231	C	C	.	.			trans	-46.9	-18	-174.4	-61.3	-64.2	0	0	0	118.1	F169 T173 I178 T182 F601 S605 G610 G612 V615 L645	F169-Y180 AromaticContact CE1-CD2 3.85Å; F169-Y180 HydrophobicContact CE1-CD2 3.85Å; F169-Y180 AromaticContact CE1-CE2 3.68Å; F169-Y180 HydrophobicContact CE1-CE2 3.68Å; F169-Y180 HydrophobicContact CZ-CD2 4.26Å; F169-Y180 AromaticContact CZ-CE2 3.61Å; F169-Y180 HydrophobicContact CZ-CE2 3.61Å; T173-Y180 HydrophobicContact CG2-CD2 3.64Å; T173-Y180 HydrophobicContact CG2-CE2 3.37Å; I178-Y180 HydrophobicContact CG2-CD1 4.06Å; I178-Y180 HydrophobicContact CG2-CE1 3.68Å; I178-Y180 HydrophobicContact CG2-CE2 4.26Å; I178-Y180 HydrophobicContact CG2-CG 4.49Å; I178-Y180 PolarHBondContact O-N 2.98Å; Y180-T182 PolarHBondContact O-N 3.38Å; Y180-F601 HydrophobicContact CE1-CE2 4.29Å; Y180-F601 WeakPolarHBondContact OH-CE2 3.45Å; Y180-S605 WeakPolarHBondContact OH-CB 3.43Å; Y180-S605 PolarHBondContact OH-OG 3.42Å; Y180-G610 WeakPolarHBondContact CA-O 3.07Å; Y180-G612 WeakPolarHBondContact O-CA 3.39Å; Y180-V615 HydrophobicContact CD1-CG2 4.31Å; Y180-V615 HydrophobicContact CD2-CG1 4.34Å; Y180-V615 HydrophobicContact CD2-CG2 4.39Å; Y180-V615 HydrophobicContact CE2-CG1 4.28Å; Y180-V615 HydrophobicContact CG-CG2 4.13Å; Y180-L645 HydrophobicContact CE2-CD1 4.14Å; Y180-L645 WeakPolarHBondContact OH-CD1 3.36Å
181	G	84.3	Confident	92	Very high	60 Å²	60	41.8 Å²	41.8	62%	0.619	25%	0.248	S	C	*	.			trans	69.8	-6.8	175.3	0	0	0	0	0	116.7	G179 I183	G179-G181 PolarHBondContact O-N 3.29Å; G181-I183 PolarHBondContact O-N 2.81Å
182	T	81.7	Confident	92.1	Very high	61 Å²	61	44.6 Å²	44.6	37%	0.374	27%	0.271	S	S	.	.	S	Bend	trans	-59.5	-31	179.4	51.9	0	0	0	0	113.6	Y180 G612 V615	Y180-T182 PolarHBondContact O-N 3.38Å; T182-G612 WeakPolarHBondContact CG2-O 3.46Å; T182-V615 HydrophobicContact CG2-CG2 3.83Å
183	I	85.6	Confident	92.1	Very high	34 Å²	34	46.3 Å²	46.3	17%	0.174	28%	0.279	C	S	.	.	S	Bend	trans	-132.9	145.4	167.1	64.7	176.9	0	0	0	109.2	F170 G181	F170-I183 HydrophobicContact CB-CD1 4.12Å; F170-I183 HydrophobicContact CB-CG1 4.4Å; F170-I183 HydrophobicContact CD2-CD1 4.47Å; F170-I183 HydrophobicContact CD2-CG1 3.89Å; F170-I183 VanDerWaalsContact CE2-O 3.27Å; F170-I183 WeakPolarHBondContact CE2-O 3.47Å; F170-I183 HydrophobicContact CG-CG1 4.44Å; G181-I183 PolarHBondContact O-N 2.81Å
184	S	90.5	Very high	92.2	Very high	72 Å²	72	47 Å²	47	50%	0.503	28%	0.283	S	S	.	.			trans	-151	148.7	176.5	59.3	0	0	0	0	110.1	V186	S184-V186 PolarHBondContact O-N 2.68Å
185	P	92.7	Very high	92.3	Very high	13 Å²	13	51 Å²	51	8%	0.084	30%	0.302	C	S	.	.			trans	-66.1	129.5	-179.6	26	-33.7	0	0	0	109.8	L59 E63 K191 C194	L59-P185 HydrophobicContact CD2-CB 4.41Å; E63-P185 VanDerWaalsContact CD-CA 3.48Å; E63-P185 HydrophobicContact CG-CB 4Å; E63-P185 WeakPolarHBondContact OE1-CB 3.39Å; P185-K191 HydrophobicContact CB-CG 4.46Å; P185-K191 HydrophobicContact CG-CG 4.28Å; P185-K191 WeakPolarHBondContact O-CE 3.49Å; P185-K191 WeakPolarHBondContact O-CG 3.48Å; P185-C194 HydrophobicContact CG-CB 4.03Å
186	V	89.7	Confident	92.3	Very high	90 Å²	90	57.3 Å²	57.3	55%	0.545	33%	0.33	S	S	.	.			trans	-93.3	-35.6	-178.8	-174.7	0	0	0	0	110.4	E63 S184 K191	E63-V186 VanDerWaalsContact CD-N 3.34Å; E63-V186 PolarHBondContact OE1-N 3.29Å; E63-V186 PolarHBondContact OE2-N 2.87Å; S184-V186 PolarHBondContact O-N 2.68Å; V186-K191 VanDerWaalsContact O-CE 3.27Å; V186-K191 WeakPolarHBondContact O-CE 3.33Å; V186-K191 PolarHBondContact O-NZ 3.09Å
187	T	92.9	Very high	92.4	Very high	24 Å²	24	57.4 Å²	57.4	15%	0.147	33%	0.33	C	S	.	.	S	Bend	trans	-69.8	151.8	-177.8	74.9	0	0	0	0	112.1	E63 T66 Y189 G190 K191	E63-T187 VanDerWaalsContact OE1-CB 3.3Å; E63-T187 WeakPolarHBondContact OE1-CB 3.29Å; E63-T187 WeakPolarHBondContact OE1-CG2 3.27Å; E63-T187 PolarHBondContact OE1-N 2.81Å; E63-T187 PolarHBondContact OE1-OG1 3.11Å; E63-T187 PolarHBondContact OE2-N 3.24Å; T66-T187 HydrophobicContact CG2-CG2 4.4Å; T66-T187 VanDerWaalsContact OG1-CG2 3.27Å; T66-T187 WeakPolarHBondContact OG1-CG2 3.36Å; T187-Y189 VanDerWaalsContact C-N 3.25Å; T187-Y189 PolarHBondContact O-N 3.27Å; T187-G190 PolarHBondContact O-N 2.92Å; T187-G190 PolarHBondContact OG1-N 3.44Å; T187-K191 WeakPolarHBondContact O-CB 3.38Å; T187-K191 WeakPolarHBondContact O-CD 3.06Å; T187-K191 VanDerWaalsContact O-CG 3.27Å; T187-K191 WeakPolarHBondContact O-CG 3.39Å; T187-K191 PolarHBondContact O-N 3.36Å
188	I	93.8	Very high	92.4	Very high	107 Å²	107	55 Å²	55	55%	0.549	32%	0.315	S	S	.	.	H	α-helix	trans	-60.7	-36.9	175.4	-168.5	168.6	0	0	0	111.8	A192	I188-A192 WeakPolarHBondContact O-CB 3.5Å; I188-A192 PolarHBondContact O-N 2.72Å
189	Y	93.7	Very high	92.5	Very high	119 Å²	119	59.3 Å²	59.3	47%	0.467	34%	0.342	S	S	.	.	H	α-helix	trans	-73	-42.3	179.2	-57.8	-62.8	0	0	0	112.5	T187 A192 F193 H404	T187-Y189 VanDerWaalsContact C-N 3.25Å; T187-Y189 PolarHBondContact O-N 3.27Å; Y189-A192 PolarHBondContact O-N 2.73Å; Y189-F193 VanDerWaalsContact O-CB 3.23Å; Y189-F193 WeakPolarHBondContact O-CB 3.43Å; Y189-F193 PolarHBondContact O-N 3.45Å; Y189-H404 PolarHBondContact OH-CE1 3.22Å; Y189-H404 PolarHBondContact OH-ND1 2.89Å
190	G	93.4	Very high	92.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-64	-39.3	174.1	0	0	0	0	0	112.3	E63 T187 C194	E63-G190 WeakPolarHBondContact OE1-CA 3.25Å; T187-G190 PolarHBondContact O-N 2.92Å; T187-G190 PolarHBondContact OG1-N 3.44Å; G190-C194 WeakPolarHBondContact O-CB 3.4Å; G190-C194 PolarHBondContact O-N 3.47Å
191	K	95.2	Very high	93	Very high	103 Å²	103	60 Å²	60	45%	0.448	34%	0.34	S	S	.	.	H	α-helix	trans	-61.4	-50.5	171.7	-73.8	165.1	175.9	158.8	0	111.8	P185 V186 T187 F193 C194 I195	P185-K191 HydrophobicContact CB-CG 4.46Å; P185-K191 HydrophobicContact CG-CG 4.28Å; P185-K191 WeakPolarHBondContact O-CE 3.49Å; P185-K191 WeakPolarHBondContact O-CG 3.48Å; V186-K191 VanDerWaalsContact O-CE 3.27Å; V186-K191 WeakPolarHBondContact O-CE 3.33Å; V186-K191 PolarHBondContact O-NZ 3.09Å; T187-K191 WeakPolarHBondContact O-CB 3.38Å; T187-K191 WeakPolarHBondContact O-CD 3.06Å; T187-K191 VanDerWaalsContact O-CG 3.27Å; T187-K191 WeakPolarHBondContact O-CG 3.39Å; T187-K191 PolarHBondContact O-N 3.36Å; K191-F193 PolarHBondContact O-N 3.43Å; K191-C194 WeakPolarHBondContact O-CB 3.34Å; K191-C194 PolarHBondContact O-N 2.95Å; K191-I195 WeakPolarHBondContact O-CG1 3.45Å; K191-I195 PolarHBondContact O-N 2.94Å
192	A	95.9	Very high	93.6	Very high	59 Å²	59	59.9 Å²	59.9	49%	0.488	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-42.7	178.5	0	0	0	0	0	112.7	I188 Y189 I195 F196	I188-A192 WeakPolarHBondContact O-CB 3.5Å; I188-A192 PolarHBondContact O-N 2.72Å; Y189-A192 PolarHBondContact O-N 2.73Å; A192-I195 PolarHBondContact O-N 3.39Å; A192-F196 PolarHBondContact O-N 3.29Å
193	F	95.8	Very high	94.2	Very high	55 Å²	55	60.3 Å²	60.3	24%	0.241	33%	0.328	C	S	.	.	H	α-helix	trans	-63.3	-42.4	174.7	-179.3	-97.7	0	0	0	111.8	C58 L59 L62 Y189 K191 I195 F196 L197	C58-F193 HydrophobicContact CB-CD1 4.18Å; C58-F193 HydrophobicContact CB-CD2 4.49Å; C58-F193 HydrophobicContact CB-CE1 3.49Å; C58-F193 VanDerWaalsContact CB-CE1 3.49Å; C58-F193 HydrophobicContact CB-CE2 3.86Å; C58-F193 HydrophobicContact CB-CZ 3.31Å; L59-F193 HydrophobicContact CD2-CD1 3.95Å; L59-F193 HydrophobicContact CG-CD1 3.97Å; L59-F193 HydrophobicContact CG-CE1 4.13Å; L62-F193 HydrophobicContact CD1-CB 4.08Å; L62-F193 HydrophobicContact CD1-CG 4.33Å; Y189-F193 VanDerWaalsContact O-CB 3.23Å; Y189-F193 WeakPolarHBondContact O-CB 3.43Å; Y189-F193 PolarHBondContact O-N 3.45Å; K191-F193 PolarHBondContact O-N 3.43Å; F193-I195 PolarHBondContact O-N 3.31Å; F193-F196 PolarHBondContact O-N 3.45Å; F193-L197 HydrophobicContact CE1-CB 4.35Å; F193-L197 HydrophobicContact CE1-CD1 4.32Å; F193-L197 HydrophobicContact CE1-CD2 4.08Å; F193-L197 HydrophobicContact CZ-CD1 4.34Å; F193-L197 VanDerWaalsContact O-CB 3.31Å; F193-L197 WeakPolarHBondContact O-CB 3.25Å; F193-L197 PolarHBondContact O-N 2.91Å
194	C	95.7	Very high	94.7	Very high	17 Å²	17	60.1 Å²	60.1	12%	0.115	33%	0.327	C	S	.	.	H	α-helix	trans	-60.1	-44.2	176.2	-171.1	0	0	0	0	111.6	P185 G190 K191 F196 L197 V198	P185-C194 HydrophobicContact CG-CB 4.03Å; G190-C194 WeakPolarHBondContact O-CB 3.4Å; G190-C194 PolarHBondContact O-N 3.47Å; K191-C194 WeakPolarHBondContact O-CB 3.34Å; K191-C194 PolarHBondContact O-N 2.95Å; C194-F196 VanDerWaalsContact C-N 3.32Å; C194-F196 PolarHBondContact O-N 3.01Å; C194-L197 PolarHBondContact O-N 3.42Å; C194-V198 WeakPolarHBondContact O-CB 3.37Å; C194-V198 WeakPolarHBondContact O-CG2 3.47Å; C194-V198 PolarHBondContact O-N 3.26Å
195	I	96.5	Very high	94.9	Very high	118 Å²	118	57.1 Å²	57.1	61%	0.605	31%	0.305	S	S	*	.	H	α-helix	trans	-56	-46.4	175.9	-68	163.7	0	0	0	111.1	K191 A192 F193 T199	K191-I195 WeakPolarHBondContact O-CG1 3.45Å; K191-I195 PolarHBondContact O-N 2.94Å; A192-I195 PolarHBondContact O-N 3.39Å; F193-I195 PolarHBondContact O-N 3.31Å; I195-T199 WeakPolarHBondContact O-CB 3.47Å; I195-T199 PolarHBondContact O-N 3Å; I195-T199 PolarHBondContact O-OG1 2.95Å
196	F	95.4	Very high	95	Very high	132 Å²	132	60.9 Å²	60.9	58%	0.579	33%	0.327	S	S	*	.	H	α-helix	trans	-64.6	-47.6	176.2	178.7	-96.4	0	0	0	112.4	A192 F193 C194 V198 T199 V200	A192-F196 PolarHBondContact O-N 3.29Å; F193-F196 PolarHBondContact O-N 3.45Å; C194-F196 VanDerWaalsContact C-N 3.32Å; C194-F196 PolarHBondContact O-N 3.01Å; F196-V198 VanDerWaalsContact C-N 3.31Å; F196-V198 PolarHBondContact O-N 3.39Å; F196-T199 PolarHBondContact O-N 2.78Å; F196-V200 HydrophobicContact CE1-CG2 4.34Å; F196-V200 HydrophobicContact CE2-CG2 4.32Å; F196-V200 HydrophobicContact CZ-CG2 4.1Å; F196-V200 PolarHBondContact O-N 3.26Å; F196-V200 VanDerWaalsContact O-N 3.14Å
197	L	96.1	Very high	95.2	Very high	7 Å²	7	59.8 Å²	59.8	4%	0.037	32%	0.318	C	S	.	.	H	α-helix	trans	-57.6	-43.2	179.6	-173.8	73.1	0	0	0	111.7	F51 L59 V171 F193 C194 G201	F51-L197 HydrophobicContact CD1-CD1 4.39Å; F51-L197 HydrophobicContact CE1-CD1 3.66Å; F51-L197 HydrophobicContact CE1-CG 4.3Å; F51-L197 HydrophobicContact CE2-CD1 4.2Å; F51-L197 HydrophobicContact CZ-CD1 3.56Å; F51-L197 HydrophobicContact CZ-CG 4.29Å; F51-L197 WeakPolarHBondContact CZ-O 3.37Å; L59-L197 HydrophobicContact CD1-CD2 4.15Å; V171-L197 HydrophobicContact CB-CD2 4.37Å; V171-L197 HydrophobicContact CG1-CD2 3.92Å; V171-L197 HydrophobicContact CG2-CD2 3.62Å; F193-L197 HydrophobicContact CE1-CB 4.35Å; F193-L197 HydrophobicContact CE1-CD1 4.32Å; F193-L197 HydrophobicContact CE1-CD2 4.08Å; F193-L197 HydrophobicContact CZ-CD1 4.34Å; F193-L197 VanDerWaalsContact O-CB 3.31Å; F193-L197 WeakPolarHBondContact O-CB 3.25Å; F193-L197 PolarHBondContact O-N 2.91Å; C194-L197 PolarHBondContact O-N 3.42Å; L197-G201 WeakPolarHBondContact O-CA 3.41Å; L197-G201 PolarHBondContact O-N 2.83Å
198	V	96.1	Very high	95.2	Very high	31 Å²	31	59 Å²	59	19%	0.188	31%	0.313	C	S	.	.	H	α-helix	trans	-71.4	-40.2	179.2	174.9	0	0	0	0	111.5	V174 C194 F196 V200 G201 I202	V174-V198 HydrophobicContact CB-CG2 4.31Å; V174-V198 HydrophobicContact CG1-CG1 4.36Å; V174-V198 HydrophobicContact CG1-CG2 3.4Å; V174-V198 VanDerWaalsContact CG1-CG2 3.4Å; C194-V198 WeakPolarHBondContact O-CB 3.37Å; C194-V198 WeakPolarHBondContact O-CG2 3.47Å; C194-V198 PolarHBondContact O-N 3.26Å; F196-V198 VanDerWaalsContact C-N 3.31Å; F196-V198 PolarHBondContact O-N 3.39Å; V198-V200 VanDerWaalsContact C-N 3.28Å; V198-V200 PolarHBondContact O-N 3.49Å; V198-G201 PolarHBondContact O-N 3.48Å; V198-I202 HydrophobicContact CG1-CD1 3.43Å; V198-I202 VanDerWaalsContact CG1-CD1 3.43Å; V198-I202 HydrophobicContact CG1-CG1 3.95Å; V198-I202 PolarHBondContact O-N 3.3Å
199	T	96.2	Very high	95.2	Very high	97 Å²	97	54.9 Å²	54.9	60%	0.595	29%	0.293	S	S	*	.	H	α-helix	trans	-59.7	-36.9	177.5	-60.5	0	0	0	0	112.4	I195 F196 P203	I195-T199 WeakPolarHBondContact O-CB 3.47Å; I195-T199 PolarHBondContact O-N 3Å; I195-T199 PolarHBondContact O-OG1 2.95Å; F196-T199 PolarHBondContact O-N 2.78Å; T199-P203 WeakPolarHBondContact O-CD 3.37Å; T199-P203 WeakPolarHBondContact O-CG 3.45Å
200	V	95.8	Very high	95.1	Very high	62 Å²	62	51.1 Å²	51.1	38%	0.376	28%	0.283	S	S	.	.	H	α-helix	trans	-85.3	-37.2	174.8	179.8	0	0	0	0	111.8	F51 F196 V198 M204	F51-V200 HydrophobicContact CE2-CB 4.04Å; F51-V200 HydrophobicContact CE2-CG1 3.65Å; F51-V200 HydrophobicContact CZ-CB 3.95Å; F51-V200 HydrophobicContact CZ-CG1 3.93Å; F196-V200 HydrophobicContact CE1-CG2 4.34Å; F196-V200 HydrophobicContact CE2-CG2 4.32Å; F196-V200 HydrophobicContact CZ-CG2 4.1Å; F196-V200 PolarHBondContact O-N 3.26Å; F196-V200 VanDerWaalsContact O-N 3.14Å; V198-V200 VanDerWaalsContact C-N 3.28Å; V198-V200 PolarHBondContact O-N 3.49Å; V200-M204 PolarHBondContact O-N 2.93Å
201	G	96.2	Very high	95	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-69.7	-43.4	-173.2	0	0	0	0	0	114.5	L197 V198 M204 N205	L197-G201 WeakPolarHBondContact O-CA 3.41Å; L197-G201 PolarHBondContact O-N 2.83Å; V198-G201 PolarHBondContact O-N 3.48Å; G201-M204 PolarHBondContact O-N 3.5Å; G201-N205 WeakPolarHBondContact O-CB 3.41Å; G201-N205 PolarHBondContact O-N 3.3Å
202	I	96	Very high	94.8	Very high	56 Å²	56	50 Å²	50	29%	0.287	28%	0.284	S	S	.	.	H	α-helix	trans	-61.1	-51.2	-179.3	-68	172.8	0	0	0	111.5	T177 V198 M204 N205 V206	T177-I202 HydrophobicContact CG2-CD1 3.54Å; T177-I202 HydrophobicContact CG2-CG1 3.81Å; T177-I202 HydrophobicContact CG2-CG2 4.31Å; V198-I202 HydrophobicContact CG1-CD1 3.43Å; V198-I202 VanDerWaalsContact CG1-CD1 3.43Å; V198-I202 HydrophobicContact CG1-CG1 3.95Å; V198-I202 PolarHBondContact O-N 3.3Å; I202-M204 VanDerWaalsContact C-N 3.28Å; I202-M204 PolarHBondContact O-N 2.79Å; I202-N205 PolarHBondContact O-N 2.81Å; I202-V206 HydrophobicContact CG2-CG2 4.42Å; I202-V206 WeakPolarHBondContact O-CG2 3.28Å; I202-V206 PolarHBondContact O-N 3.23Å
203	P	96.1	Very high	94.5	Very high	71 Å²	71	47.2 Å²	47.2	46%	0.461	26%	0.261	S	S	.	.	H	α-helix	trans	-58	-38.6	175	-26	35.1	0	0	0	113.3	T199 V206 I207	T199-P203 WeakPolarHBondContact O-CD 3.37Å; T199-P203 WeakPolarHBondContact O-CG 3.45Å; P203-V206 PolarHBondContact O-N 2.94Å; P203-I207 VanDerWaalsContact O-CG1 3.29Å; P203-I207 WeakPolarHBondContact O-CG1 3.31Å; P203-I207 PolarHBondContact O-N 3.37Å
204	M	94.4	Very high	94.2	Very high	29 Å²	29	47.3 Å²	47.3	14%	0.143	27%	0.269	C	S	.	.	H	α-helix	trans	-67.4	-40.4	178	-169.2	-175.6	52.9	0	0	111.9	F44 Y48 F51 V200 G201 I202 I207 L208	F44-M204 HydrophobicContact CE2-CG 4.11Å; F44-M204 HydrophobicContact CZ-CG 3.75Å; Y48-M204 HydrophobicContact CD2-CE 3.47Å; Y48-M204 VanDerWaalsContact CD2-CE 3.47Å; Y48-M204 HydrophobicContact CD2-CG 4Å; Y48-M204 HydrophobicContact CD2-SD 4.02Å; Y48-M204 HydrophobicContact CE2-CE 3.96Å; Y48-M204 HydrophobicContact CG-CE 4.15Å; F51-M204 HydrophobicContact CB-CE 3.85Å; F51-M204 HydrophobicContact CB-SD 4.47Å; F51-M204 HydrophobicContact CD1-CE 3.29Å; F51-M204 HydrophobicContact CD2-CE 4.33Å; F51-M204 HydrophobicContact CE1-CE 3.84Å; F51-M204 HydrophobicContact CG-CE 3.57Å; F51-M204 HydrophobicContact CG-SD 4.46Å; V200-M204 PolarHBondContact O-N 2.93Å; G201-M204 PolarHBondContact O-N 3.5Å; I202-M204 VanDerWaalsContact C-N 3.28Å; I202-M204 PolarHBondContact O-N 2.79Å; M204-I207 PolarHBondContact O-N 2.85Å; M204-L208 PolarHBondContact O-N 2.84Å
205	N	94.7	Very high	93.9	Very high	10 Å²	10	51.3 Å²	51.3	5%	0.053	29%	0.288	C	S	.	.	H	α-helix	trans	-67	-41.8	174.6	178.1	56.3	0	0	0	112.2	Y48 I175 T176 G201 I202 I207 L208 V209	Y48-N205 HydrophobicContact CE2-CB 4.06Å; Y48-N205 PolarHBondContact OH-OD1 2.85Å; I175-N205 WeakPolarHBondContact O-CB 3.42Å; I175-N205 PolarHBondContact O-ND2 3.44Å; T176-N205 WeakPolarHBondContact CA-ND2 3.42Å; G201-N205 WeakPolarHBondContact O-CB 3.41Å; G201-N205 PolarHBondContact O-N 3.3Å; I202-N205 PolarHBondContact O-N 2.81Å; N205-I207 PolarHBondContact O-N 3.19Å; N205-L208 WeakPolarHBondContact O-CB 3.4Å; N205-L208 PolarHBondContact O-N 2.73Å; N205-V209 WeakPolarHBondContact O-CB 3.45Å; N205-V209 WeakPolarHBondContact O-CG2 3.38Å; N205-V209 PolarHBondContact O-N 3.21Å
206	V	94.5	Very high	93.6	Very high	91 Å²	91	48 Å²	48	55%	0.552	28%	0.275	S	S	*	.	H	α-helix	trans	-59	-37.7	173.5	171.4	0	0	0	0	111.1	I202 P203 S210	I202-V206 HydrophobicContact CG2-CG2 4.42Å; I202-V206 WeakPolarHBondContact O-CG2 3.28Å; I202-V206 PolarHBondContact O-N 3.23Å; P203-V206 PolarHBondContact O-N 2.94Å; V206-S210 WeakPolarHBondContact O-CB 3.4Å; V206-S210 PolarHBondContact O-N 3.39Å
207	I	94	Very high	93.4	Very high	68 Å²	68	42.2 Å²	42.2	35%	0.349	25%	0.25	S	C	.	.	H	α-helix	trans	-67.6	-43.1	172.4	-67.1	164.9	0	0	0	111.3	F44 P203 M204 N205 S210 V211	F44-I207 HydrophobicContact CE1-CG2 3.98Å; F44-I207 HydrophobicContact CE2-CG2 4.05Å; F44-I207 HydrophobicContact CZ-CB 3.95Å; F44-I207 HydrophobicContact CZ-CG2 3.51Å; P203-I207 VanDerWaalsContact O-CG1 3.29Å; P203-I207 WeakPolarHBondContact O-CG1 3.31Å; P203-I207 PolarHBondContact O-N 3.37Å; M204-I207 PolarHBondContact O-N 2.85Å; N205-I207 PolarHBondContact O-N 3.19Å; I207-S210 WeakPolarHBondContact O-CB 3.39Å; I207-S210 PolarHBondContact O-N 2.78Å; I207-V211 HydrophobicContact CG2-CG2 4.48Å; I207-V211 WeakPolarHBondContact O-CG2 3.49Å; I207-V211 PolarHBondContact O-N 3.13Å
208	L	94.3	Very high	93	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.037	27%	0.272	C	S	.	.	H	α-helix	trans	-59.9	-55.8	177.3	-178.1	61.7	0	0	0	111.7	F44 I45 Y48 M204 N205 S210 V211 L212 V646	F44-L208 HydrophobicContact CD1-CD1 4.29Å; F44-L208 HydrophobicContact CE1-CB 3.94Å; F44-L208 HydrophobicContact CE1-CD1 4.14Å; I45-L208 HydrophobicContact CG1-CD1 4Å; Y48-L208 HydrophobicContact CD1-CD2 3.77Å; Y48-L208 HydrophobicContact CD2-CB 4.31Å; Y48-L208 HydrophobicContact CD2-CD2 3.71Å; Y48-L208 HydrophobicContact CE1-CD2 3.69Å; Y48-L208 HydrophobicContact CE2-CB 4.33Å; Y48-L208 HydrophobicContact CE2-CD2 3.64Å; Y48-L208 HydrophobicContact CG-CD2 3.79Å; M204-L208 PolarHBondContact O-N 2.84Å; N205-L208 WeakPolarHBondContact O-CB 3.4Å; N205-L208 PolarHBondContact O-N 2.73Å; L208-S210 PolarHBondContact O-N 3.29Å; L208-V211 PolarHBondContact O-N 2.82Å; L208-V211 VanDerWaalsContact O-N 3.11Å; L208-L212 HydrophobicContact CD1-CD1 4.05Å; L208-L212 HydrophobicContact CD1-CG 4.11Å; L208-L212 HydrophobicContact CG-CD1 3.85Å; L208-L212 HydrophobicContact CG-CG 4.32Å; L208-L212 WeakPolarHBondContact O-CB 3.45Å; L208-L212 WeakPolarHBondContact O-CG 3.22Å; L208-L212 PolarHBondContact O-N 3.1Å; L208-V646 HydrophobicContact CD2-CG1 3.63Å
209	V	93.4	Very high	92.8	Very high	21 Å²	21	49 Å²	49	13%	0.127	29%	0.293	C	S	.	.	H	α-helix	trans	-51.4	-43.4	173.4	163.7	0	0	0	0	110.7	N205 A213 A653	N205-V209 WeakPolarHBondContact O-CB 3.45Å; N205-V209 WeakPolarHBondContact O-CG2 3.38Å; N205-V209 PolarHBondContact O-N 3.21Å; V209-A213 VanDerWaalsContact O-CB 3.25Å; V209-A213 WeakPolarHBondContact O-CB 3.35Å; V209-A213 PolarHBondContact O-N 3.22Å; V209-A653 HydrophobicContact CG1-CB 3.46Å; V209-A653 VanDerWaalsContact CG1-CB 3.46Å
210	S	90.8	Very high	92.5	Very high	39 Å²	39	45.1 Å²	45.1	27%	0.273	27%	0.268	S	S	.	.	H	α-helix	trans	-63.4	-43.1	177.9	178.7	0	0	0	0	113.5	V206 I207 L208 S214 R657	V206-S210 WeakPolarHBondContact O-CB 3.4Å; V206-S210 PolarHBondContact O-N 3.39Å; I207-S210 WeakPolarHBondContact O-CB 3.39Å; I207-S210 PolarHBondContact O-N 2.78Å; L208-S210 PolarHBondContact O-N 3.29Å; S210-S214 WeakPolarHBondContact O-CB 3.36Å; S210-S214 PolarHBondContact O-N 2.93Å; S210-S214 PolarHBondContact O-OG 2.95Å; S210-R657 VanDerWaalsContact CA-NH2 3.35Å; S210-R657 VanDerWaalsContact CB-NH2 3.32Å; S210-R657 PolarHBondContact O-NH1 2.87Å; S210-R657 PolarHBondContact OG-NH2 3.34Å
211	V	91.3	Very high	92.1	Very high	50 Å²	50	47.5 Å²	47.5	30%	0.303	27%	0.27	S	S	.	.	H	α-helix	trans	-75.3	-42.7	179.6	-178.8	0	0	0	0	110.8	L41 I207 L208 A213 S214 L215	L41-V211 HydrophobicContact CD1-CB 4.44Å; L41-V211 HydrophobicContact CD1-CG1 3.7Å; L41-V211 HydrophobicContact CD2-CG1 4.28Å; I207-V211 HydrophobicContact CG2-CG2 4.48Å; I207-V211 WeakPolarHBondContact O-CG2 3.49Å; I207-V211 PolarHBondContact O-N 3.13Å; L208-V211 PolarHBondContact O-N 2.82Å; L208-V211 VanDerWaalsContact O-N 3.11Å; V211-A213 PolarHBondContact O-N 2.92Å; V211-S214 WeakPolarHBondContact O-CA 3.45Å; V211-S214 WeakPolarHBondContact O-CB 3.29Å; V211-S214 PolarHBondContact O-N 3.29Å; V211-L215 PolarHBondContact O-N 3.27Å
212	L	91.5	Very high	91.9	Very high	30 Å²	30	55.4 Å²	55.4	16%	0.157	31%	0.305	C	S	.	.	H	α-helix	trans	-56.4	-51.3	175.7	-71.3	175.6	0	0	0	111.6	L208 S214 L215 V646 L647 A650	L208-L212 HydrophobicContact CD1-CD1 4.05Å; L208-L212 HydrophobicContact CD1-CG 4.11Å; L208-L212 HydrophobicContact CG-CD1 3.85Å; L208-L212 HydrophobicContact CG-CG 4.32Å; L208-L212 WeakPolarHBondContact O-CB 3.45Å; L208-L212 WeakPolarHBondContact O-CG 3.22Å; L208-L212 PolarHBondContact O-N 3.1Å; L212-S214 PolarHBondContact O-N 2.9Å; L212-L215 HydrophobicContact CD2-CD1 4.45Å; L212-L215 WeakPolarHBondContact O-CB 3.36Å; L212-L215 PolarHBondContact O-N 3.46Å; L212-V646 HydrophobicContact CD1-CG1 4.49Å; L212-L647 HydrophobicContact CD1-CD2 4.39Å; L212-A650 HydrophobicContact CB-CB 3.73Å; L212-A650 HydrophobicContact CD1-CB 3.94Å
213	A	90.6	Very high	91.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.5	-32.3	176.7	0	0	0	0	0	112.6	V209 V211 L215 C216 M217 A653 V654	V209-A213 VanDerWaalsContact O-CB 3.25Å; V209-A213 WeakPolarHBondContact O-CB 3.35Å; V209-A213 PolarHBondContact O-N 3.22Å; V211-A213 PolarHBondContact O-N 2.92Å; A213-L215 PolarHBondContact O-N 3Å; A213-C216 PolarHBondContact O-N 3.43Å; A213-C216 VanDerWaalsContact O-N 3.17Å; A213-M217 WeakPolarHBondContact O-CG 3.45Å; A213-M217 PolarHBondContact O-N 3.21Å; A213-A653 HydrophobicContact CB-CB 4.31Å; A213-V654 HydrophobicContact CB-CG2 3.52Å
214	S	88.6	Confident	91.2	Very high	58 Å²	58	52.3 Å²	52.3	41%	0.406	29%	0.288	S	S	.	.	H	α-helix	trans	-67.6	-20.6	176.2	-57.2	0	0	0	0	113.7	S210 V211 L212 C216 P218 R657	S210-S214 WeakPolarHBondContact O-CB 3.36Å; S210-S214 PolarHBondContact O-N 2.93Å; S210-S214 PolarHBondContact O-OG 2.95Å; V211-S214 WeakPolarHBondContact O-CA 3.45Å; V211-S214 WeakPolarHBondContact O-CB 3.29Å; V211-S214 PolarHBondContact O-N 3.29Å; L212-S214 PolarHBondContact O-N 2.9Å; S214-C216 VanDerWaalsContact C-N 3.35Å; S214-P218 VanDerWaalsContact O-CD 3.25Å; S214-P218 WeakPolarHBondContact O-CD 3.48Å; S214-R657 PolarHBondContact OG-NH1 3.29Å
215	L	90.1	Very high	90.7	Very high	101 Å²	101	52.8 Å²	52.8	53%	0.529	29%	0.291	S	S	.	.	H	α-helix	trans	-71.8	-30.4	172.6	-56.4	176.3	0	0	0	112	L41 V211 L212 A213 P218	L41-L215 HydrophobicContact CD2-CD1 4.08Å; L41-L215 HydrophobicContact CD2-CD2 4.24Å; V211-L215 PolarHBondContact O-N 3.27Å; L212-L215 HydrophobicContact CD2-CD1 4.45Å; L212-L215 WeakPolarHBondContact O-CB 3.36Å; L212-L215 PolarHBondContact O-N 3.46Å; A213-L215 PolarHBondContact O-N 3Å; L215-P218 WeakPolarHBondContact O-CD 3.43Å
216	C	90.2	Very high	90.4	Very high	47 Å²	47	55 Å²	55	32%	0.318	31%	0.311	S	S	.	.	H	α-helix	trans	-81.3	-34	180	-57.9	0	0	0	0	112.8	A213 S214 P218 V219 I220 V654	A213-C216 PolarHBondContact O-N 3.43Å; A213-C216 VanDerWaalsContact O-N 3.17Å; S214-C216 VanDerWaalsContact C-N 3.35Å; C216-P218 VanDerWaalsContact C-CD 3.47Å; C216-V219 PolarHBondContact O-N 2.93Å; C216-I220 HydrophobicContact CB-CD1 4.42Å; C216-I220 PolarHBondContact O-N 2.9Å; C216-V654 HydrophobicContact CB-CG1 4.31Å; C216-V654 HydrophobicContact CB-CG2 3.79Å
217	M	89.4	Confident	90	Very high	11 Å²	11	53.2 Å²	53.2	5%	0.054	30%	0.298	C	S	.	.	H	α-helix	trans	-54.5	-38	-174.6	-63.6	-50.3	-69.3	0	0	115.1	A213 V219 I220 R221 V654 R657 E661	A213-M217 WeakPolarHBondContact O-CG 3.45Å; A213-M217 PolarHBondContact O-N 3.21Å; M217-V219 VanDerWaalsContact C-N 3.3Å; M217-V219 PolarHBondContact O-N 2.97Å; M217-I220 PolarHBondContact O-N 3.03Å; M217-I220 HydrophobicContact SD-CD1 4.39Å; M217-R221 WeakPolarHBondContact O-CB 3.44Å; M217-R221 VanDerWaalsContact O-CG 3.28Å; M217-R221 WeakPolarHBondContact O-CG 3.34Å; M217-R221 PolarHBondContact O-N 3.4Å; M217-V654 HydrophobicContact SD-CG1 4.29Å; M217-R657 HydrophobicContact CE-CB 4.14Å; M217-R657 HydrophobicContact SD-CB 4.1Å; M217-E661 WeakPolarHBondContact CE-OE1 3.3Å
218	P	89.1	Confident	89.4	Confident	79 Å²	79	50.7 Å²	50.7	51%	0.513	29%	0.286	S	S	.	.	H	α-helix	trans	-59	-36.4	175.5	-27	35.9	0	0	0	114	S214 L215 C216 K222	S214-P218 VanDerWaalsContact O-CD 3.25Å; S214-P218 WeakPolarHBondContact O-CD 3.48Å; L215-P218 WeakPolarHBondContact O-CD 3.43Å; C216-P218 VanDerWaalsContact C-CD 3.47Å; P218-K222 WeakPolarHBondContact O-CB 3.4Å; P218-K222 PolarHBondContact O-N 3.36Å
219	V	90.4	Very high	88.7	Confident	101 Å²	101	53.7 Å²	53.7	61%	0.612	30%	0.302	S	S	*	.	H	α-helix	trans	-71.9	-40.2	178.5	-175	0	0	0	0	110.7	C216 M217 K222 S223	C216-V219 PolarHBondContact O-N 2.93Å; M217-V219 VanDerWaalsContact C-N 3.3Å; M217-V219 PolarHBondContact O-N 2.97Å; V219-K222 PolarHBondContact O-N 2.97Å; V219-S223 WeakPolarHBondContact O-CB 3.47Å; V219-S223 PolarHBondContact O-N 2.91Å; V219-S223 PolarHBondContact O-OG 3.4Å
220	I	91	Very high	88.3	Confident	17 Å²	17	59.6 Å²	59.6	9%	0.087	33%	0.326	C	S	.	.	H	α-helix	trans	-66.8	-46.2	177.1	-68.8	170	0	0	0	110.5	C216 M217 S223 R224 H566 V570 V654	C216-I220 HydrophobicContact CB-CD1 4.42Å; C216-I220 PolarHBondContact O-N 2.9Å; M217-I220 PolarHBondContact O-N 3.03Å; M217-I220 HydrophobicContact SD-CD1 4.39Å; I220-S223 PolarHBondContact O-N 3.25Å; I220-S223 PolarHBondContact O-OG 3.35Å; I220-R224 WeakPolarHBondContact O-CB 3.34Å; I220-R224 PolarHBondContact O-N 3.33Å; I220-H566 PolarHBondContact O-CE1 3.46Å; I220-V570 HydrophobicContact CD1-CG1 4.11Å; I220-V570 HydrophobicContact CG1-CG1 4.45Å; I220-V570 HydrophobicContact CG2-CG2 4.38Å; I220-V654 HydrophobicContact CD1-CG1 3.15Å
221	R	88.3	Confident	87.7	Confident	111 Å²	111	61.8 Å²	61.8	42%	0.419	33%	0.329	S	S	.	.	H	α-helix	trans	-63.3	-41.7	174.7	-68.9	175.6	-179.4	178.5	1.5	111.9	M217 R224 N225 E661	M217-R221 WeakPolarHBondContact O-CB 3.44Å; M217-R221 VanDerWaalsContact O-CG 3.28Å; M217-R221 WeakPolarHBondContact O-CG 3.34Å; M217-R221 PolarHBondContact O-N 3.4Å; R221-R224 PolarHBondContact O-N 2.9Å; R221-N225 WeakPolarHBondContact O-CB 3.45Å; R221-N225 VanDerWaalsContact O-CG 3.27Å; R221-N225 PolarHBondContact O-N 3.45Å; R221-N225 PolarHBondContact O-OD1 3.18Å; R221-E661 IonicContact CZ-OE1 3.33Å; R221-E661 IonicContact NE-OE1 3.32Å; R221-E661 PolarHBondContact NE-OE1 2.92Å; R221-E661 IonicContact NE-OE2 3.52Å; R221-E661 IonicContact NH2-OE1 2.73Å; R221-E661 PolarHBondContact NH2-OE1 3.48Å
222	K	90.1	Very high	86.8	Confident	167 Å²	167	60.5 Å²	60.5	73%	0.726	32%	0.322	S	S	*	.	H	α-helix	trans	-62.3	-46.3	176.4	-176.4	177.8	178.7	-178.2	0	112	P218 V219 N225 A226	P218-K222 WeakPolarHBondContact O-CB 3.4Å; P218-K222 PolarHBondContact O-N 3.36Å; V219-K222 PolarHBondContact O-N 2.97Å; K222-N225 PolarHBondContact O-N 3.42Å; K222-A226 WeakPolarHBondContact O-CB 3.4Å; K222-A226 PolarHBondContact O-N 3.02Å
223	S	90.3	Very high	85.8	Confident	50 Å²	50	66.2 Å²	66.2	35%	0.35	34%	0.343	S	S	.	.	H	α-helix	trans	-67.2	-39.4	177.9	52.1	0	0	0	0	112.4	V219 I220 A226 L227 H566	V219-S223 WeakPolarHBondContact O-CB 3.47Å; V219-S223 PolarHBondContact O-N 2.91Å; V219-S223 PolarHBondContact O-OG 3.4Å; I220-S223 PolarHBondContact O-N 3.25Å; I220-S223 PolarHBondContact O-OG 3.35Å; S223-A226 PolarHBondContact O-N 2.88Å; S223-L227 PolarHBondContact O-N 3.24Å; S223-H566 PolarHBondContact OG-NE2 2.91Å
224	R	88	Confident	85	Confident	11 Å²	11	69.5 Å²	69.5	4%	0.042	37%	0.366	C	S	.	.	H	α-helix	trans	-59.5	-49.9	172.5	-166.2	172.6	63.3	-153.1	-2.2	112.1	I220 R221 A226 L227 V228 H566 E661	I220-R224 WeakPolarHBondContact O-CB 3.34Å; I220-R224 PolarHBondContact O-N 3.33Å; R221-R224 PolarHBondContact O-N 2.9Å; R224-A226 VanDerWaalsContact C-N 3.32Å; R224-A226 PolarHBondContact O-N 2.92Å; R224-L227 PolarHBondContact O-N 2.78Å; R224-V228 WeakPolarHBondContact O-CG2 3.36Å; R224-V228 PolarHBondContact O-N 3.44Å; R224-H566 WeakPolarHBondContact CB-ND1 3.46Å; R224-H566 HydrophobicContact CG-CB 4.44Å; R224-H566 PolarHBondContact N-NE2 3.36Å; R224-E661 IonicContact CZ-OE2 2.73Å; R224-E661 IonicContact NH1-OE2 3.44Å; R224-E661 PolarHBondContact NH1-OE2 2.91Å; R224-E661 IonicContact NH2-OE2 3.1Å; R224-E661 PolarHBondContact NH2-OE2 3.17Å
225	N	85.1	Confident	83.8	Confident	40 Å²	40	69.5 Å²	69.5	21%	0.214	37%	0.366	C	S	.	.	H	α-helix	trans	-66.6	-34.8	-178.8	-72.1	8.6	0	0	0	111.3	R221 K222 N229 E264	R221-N225 WeakPolarHBondContact O-CB 3.45Å; R221-N225 VanDerWaalsContact O-CG 3.27Å; R221-N225 PolarHBondContact O-N 3.45Å; R221-N225 PolarHBondContact O-OD1 3.18Å; K222-N225 PolarHBondContact O-N 3.42Å; N225-N229 VanDerWaalsContact O-CB 3.31Å; N225-N229 WeakPolarHBondContact O-CB 3.47Å; N225-N229 PolarHBondContact O-N 2.82Å; N225-N229 PolarHBondContact O-ND2 2.84Å; N225-N229 PolarHBondContact O-OD1 3.44Å; N225-E264 PolarHBondContact ND2-OE1 2.6Å
226	A	87	Confident	82.2	Confident	57 Å²	57	68 Å²	68	47%	0.471	36%	0.358	S	S	.	.	H	α-helix	trans	-63.6	-45.8	172.8	0	0	0	0	0	112.2	K222 S223 R224 N229 F230	K222-A226 WeakPolarHBondContact O-CB 3.4Å; K222-A226 PolarHBondContact O-N 3.02Å; S223-A226 PolarHBondContact O-N 2.88Å; R224-A226 VanDerWaalsContact C-N 3.32Å; R224-A226 PolarHBondContact O-N 2.92Å; A226-N229 PolarHBondContact O-N 3.17Å; A226-F230 WeakPolarHBondContact O-CB 3.48Å; A226-F230 PolarHBondContact O-N 3.18Å
227	L	86	Confident	80.5	Confident	52 Å²	52	70.4 Å²	70.4	27%	0.272	37%	0.365	S	S	.	.	H	α-helix	trans	-61.7	-45.6	177.4	-173.9	68.6	0	0	0	111.8	S223 R224 F230 Y231 L562 H566	S223-L227 PolarHBondContact O-N 3.24Å; R224-L227 PolarHBondContact O-N 2.78Å; L227-F230 PolarHBondContact O-N 2.87Å; L227-Y231 PolarHBondContact O-N 3Å; L227-Y231 VanDerWaalsContact O-N 3.08Å; L227-L562 HydrophobicContact CD1-CD1 4.17Å; L227-L562 HydrophobicContact CD2-CD1 3.71Å; L227-L562 HydrophobicContact CD2-CG 3.84Å; L227-L562 HydrophobicContact CG-CD1 3.71Å; L227-L562 HydrophobicContact CG-CD2 4.2Å; L227-L562 HydrophobicContact CG-CG 3.86Å; L227-H566 HydrophobicContact CD2-CB 3.92Å
228	V	82	Confident	78.7	Confident	15 Å²	15	73.3 Å²	73.3	9%	0.091	40%	0.397	C	S	.	.	H	α-helix	trans	-62.6	-42.8	176.4	173.2	0	0	0	0	111.7	R224 Y231 S232 L562	R224-V228 WeakPolarHBondContact O-CG2 3.36Å; R224-V228 PolarHBondContact O-N 3.44Å; V228-Y231 PolarHBondContact O-N 2.9Å; V228-S232 PolarHBondContact O-N 3.21Å; V228-S232 VanDerWaalsContact O-N 3.09Å; V228-S232 PolarHBondContact O-OG 3.31Å; V228-L562 HydrophobicContact CG2-CD2 4.15Å
229	N	80.4	Confident	76.7	Confident	70 Å²	70	71.3 Å²	71.3	37%	0.374	38%	0.384	S	S	.	.	H	α-helix	trans	-64.3	-40.8	177.8	-72.5	-6.8	0	0	0	112.1	N225 A226 S232 Y233 R260	N225-N229 VanDerWaalsContact O-CB 3.31Å; N225-N229 WeakPolarHBondContact O-CB 3.47Å; N225-N229 PolarHBondContact O-N 2.82Å; N225-N229 PolarHBondContact O-ND2 2.84Å; N225-N229 PolarHBondContact O-OD1 3.44Å; A226-N229 PolarHBondContact O-N 3.17Å; N229-S232 WeakPolarHBondContact CA-OG 3.36Å; N229-S232 PolarHBondContact O-N 3.31Å; N229-S232 PolarHBondContact O-OG 3.48Å; N229-Y233 PolarHBondContact O-N 2.81Å; N229-R260 PolarHBondContact OD1-NH1 2.97Å
230	F	83.4	Confident	74.5	Confident	145 Å²	145	72.2 Å²	72.2	64%	0.636	38%	0.381	S	S	*	.	H	α-helix	trans	-61.3	-43.5	175.6	179.4	-97.5	0	0	0	111.9	A226 L227 Y233 S234	A226-F230 WeakPolarHBondContact O-CB 3.48Å; A226-F230 PolarHBondContact O-N 3.18Å; L227-F230 PolarHBondContact O-N 2.87Å; F230-Y233 PolarHBondContact O-N 3.26Å; F230-S234 WeakPolarHBondContact O-CB 3.42Å; F230-S234 PolarHBondContact O-N 2.95Å
231	Y	78.5	Confident	72.2	Confident	85 Å²	85	81 Å²	81	33%	0.333	42%	0.422	S	S	.	.	H	α-helix	trans	-61.8	-44.5	175.8	178.9	-99.6	0	0	0	112.6	L227 V228 Y233 S234 S235 L562	L227-Y231 PolarHBondContact O-N 3Å; L227-Y231 VanDerWaalsContact O-N 3.08Å; V228-Y231 PolarHBondContact O-N 2.9Å; Y231-Y233 PolarHBondContact O-N 2.92Å; Y231-S234 PolarHBondContact O-N 3.11Å; Y231-S235 WeakPolarHBondContact O-CB 3.44Å; Y231-S235 PolarHBondContact O-N 3.24Å; Y231-L562 HydrophobicContact CD1-CD2 4.29Å; Y231-L562 HydrophobicContact CD2-CD2 4.45Å; Y231-L562 HydrophobicContact CG-CD2 3.81Å
232	S	72.5	Confident	69.9	Low	24 Å²	24	81.9 Å²	81.9	17%	0.168	43%	0.434	C	S	.	.	H	α-helix	trans	-61.7	-42.2	175.6	45.1	0	0	0	0	112.9	V228 N229 S234 S235 D236	V228-S232 PolarHBondContact O-N 3.21Å; V228-S232 VanDerWaalsContact O-N 3.09Å; V228-S232 PolarHBondContact O-OG 3.31Å; N229-S232 WeakPolarHBondContact CA-OG 3.36Å; N229-S232 PolarHBondContact O-N 3.31Å; N229-S232 PolarHBondContact O-OG 3.48Å; S232-S234 PolarHBondContact O-N 2.9Å; S232-S235 PolarHBondContact O-N 3.05Å; S232-D236 PolarHBondContact O-N 3.33Å; S232-D236 VanDerWaalsContact O-N 3.15Å
233	Y	71.9	Confident	67.3	Low	150 Å²	150	82.8 Å²	82.8	59%	0.588	44%	0.439	S	S	*	.	H	α-helix	trans	-62.2	-42.7	177.3	-177.7	-95.8	0	0	0	112.1	N229 F230 Y231 H237	N229-Y233 PolarHBondContact O-N 2.81Å; F230-Y233 PolarHBondContact O-N 3.26Å; Y231-Y233 PolarHBondContact O-N 2.92Å; Y233-H237 AromaticContact CE1-CD2 3.62Å; Y233-H237 AromaticContact CE1-NE2 3.9Å; Y233-H237 AromaticContact CE2-CD2 3.9Å; Y233-H237 AromaticContact CE2-NE2 3.78Å; Y233-H237 AromaticContact CZ-CD2 3.55Å; Y233-H237 AromaticContact CZ-NE2 3.39Å; Y233-H237 PolarHBondContact O-CD2 3.17Å; Y233-H237 PolarHBondContact O-N 3.31Å; Y233-H237 VanDerWaalsContact O-N 3.16Å; Y233-H237 PolarHBondContact OH-NE2 3.34Å
234	S	72.3	Confident	65.1	Low	68 Å²	68	89 Å²	89	48%	0.476	46%	0.462	S	S	.	.	H	α-helix	trans	-63.6	-41.9	175	-173	0	0	0	0	112.2	F230 Y231 S232 D236 H237 G238	F230-S234 WeakPolarHBondContact O-CB 3.42Å; F230-S234 PolarHBondContact O-N 2.95Å; Y231-S234 PolarHBondContact O-N 3.11Å; S232-S234 PolarHBondContact O-N 2.9Å; S234-D236 PolarHBondContact O-N 3.27Å; S234-H237 PolarHBondContact O-N 2.96Å; S234-G238 PolarHBondContact O-N 2.67Å
235	S	63.8	Low	63	Low	59 Å²	59	92.4 Å²	92.4	41%	0.413	48%	0.481	S	S	.	.	H	α-helix	trans	-61.5	-40.5	179.7	-162.6	0	0	0	0	112.9	Y231 S232	Y231-S235 WeakPolarHBondContact O-CB 3.44Å; Y231-S235 PolarHBondContact O-N 3.24Å; S232-S235 PolarHBondContact O-N 3.05Å
236	D	56.8	Low	60.8	Low	69 Å²	69	96.8 Å²	96.8	37%	0.369	50%	0.498	S	S	.	.	H	α-helix	trans	-69.2	-44.5	174.3	-87.8	-45.2	0	0	0	112.1	S232 S234 G238 T239	S232-D236 PolarHBondContact O-N 3.33Å; S232-D236 VanDerWaalsContact O-N 3.15Å; S234-D236 PolarHBondContact O-N 3.27Å; D236-G238 VanDerWaalsContact C-N 3.29Å; D236-G238 PolarHBondContact O-N 3.07Å; D236-T239 PolarHBondContact O-N 3.23Å; D236-T239 PolarHBondContact O-OG1 3.17Å
237	H	55.2	Low	58.5	Low	97 Å²	97	100.9 Å²	100.9	45%	0.449	51%	0.512	S	S	.	.	H	α-helix	trans	-62.1	-32.7	179	-94.2	-80.6	0	0	0	113.6	Y233 S234 T239 H240	Y233-H237 AromaticContact CE1-CD2 3.62Å; Y233-H237 AromaticContact CE1-NE2 3.9Å; Y233-H237 AromaticContact CE2-CD2 3.9Å; Y233-H237 AromaticContact CE2-NE2 3.78Å; Y233-H237 AromaticContact CZ-CD2 3.55Å; Y233-H237 AromaticContact CZ-NE2 3.39Å; Y233-H237 PolarHBondContact O-CD2 3.17Å; Y233-H237 PolarHBondContact O-N 3.31Å; Y233-H237 VanDerWaalsContact O-N 3.16Å; Y233-H237 PolarHBondContact OH-NE2 3.34Å; S234-H237 PolarHBondContact O-N 2.96Å; H237-T239 PolarHBondContact O-N 3.47Å; H237-H240 PolarHBondContact O-N 3.12Å
238	G	51.3	Low	56.4	Low	72 Å²	72	101.3 Å²	101.3	74%	0.742	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-9.3	172.1	0	0	0	0	0	114.9	S234 D236	S234-G238 PolarHBondContact O-N 2.67Å; D236-G238 VanDerWaalsContact C-N 3.29Å; D236-G238 PolarHBondContact O-N 3.07Å
239	T	46.5	Very low	54.4	Low	38 Å²	38	103.4 Å²	103.4	23%	0.233	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	10.6	-179.3	68	0	0	0	0	114.9	D236 H237 H241 N242 K249	D236-T239 PolarHBondContact O-N 3.23Å; D236-T239 PolarHBondContact O-OG1 3.17Å; H237-T239 PolarHBondContact O-N 3.47Å; T239-H241 PolarHBondContact O-N 3.02Å; T239-N242 PolarHBondContact O-N 3.27Å; T239-K249 PolarHBondContact OG1-NZ 3.36Å
240	H	43.3	Very low	52.3	Low	120 Å²	120	105.7 Å²	105.7	56%	0.556	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-5	-171	-127.7	-102.3	0	0	0	115.7	H237	H237-H240 PolarHBondContact O-N 3.12Å
241	H	43.7	Very low	50.2	Low	202 Å²	202	101.8 Å²	101.8	94%	0.935	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.7	176.1	-121.2	-72.2	0	0	0	115.1	T239	T239-H241 PolarHBondContact O-N 3.02Å
242	N	39.7	Very low	48.6	Very low	128 Å²	128	102.5 Å²	102.5	68%	0.684	54%	0.535	S	S	*	.			trans	-131.7	96.8	177.8	-150.8	-27.2	0	0	0	111.4	T239 H244	T239-N242 PolarHBondContact O-N 3.27Å; N242-H244 VanDerWaalsContact C-N 3.26Å; N242-H244 PolarHBondContact O-N 3.39Å; N242-H244 VanDerWaalsContact O-N 3.16Å
243	K	36.2	Very low	47.1	Very low	187 Å²	187	104.6 Å²	104.6	81%	0.813	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-1.4	-158.8	-146.1	173.6	-175.1	178.8	0	115.1
244	H	43.1	Very low	45.6	Very low	180 Å²	180	101 Å²	101	83%	0.833	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-3	-159	-115.8	-71.4	0	0	0	117.8	N242	N242-H244 VanDerWaalsContact C-N 3.26Å; N242-H244 PolarHBondContact O-N 3.39Å; N242-H244 VanDerWaalsContact O-N 3.16Å
245	N	44.7	Very low	44.3	Very low	83 Å²	83	102.9 Å²	102.9	44%	0.444	53%	0.532	S	S	.	.			trans	-137.4	86.7	172.4	-171.2	1.2	0	0	0	112.1	S248	N245-S248 PolarHBondContact ND2-OG 3.08Å; N245-S248 PolarHBondContact OD1-N 2.99Å; N245-S248 PolarHBondContact OD1-OG 3.44Å
246	K	39.6	Very low	43.5	Very low	131 Å²	131	103.5 Å²	103.5	57%	0.57	53%	0.528	S	S	*	.			trans	-94	-38.4	169.4	-72.2	-165	169.7	-163.1	0	112.6	S248 K249 H250	K246-S248 PolarHBondContact O-N 2.95Å; K246-K249 PolarHBondContact O-N 3.04Å; K246-H250 PolarHBondContact O-N 3.39Å
247	N	38.2	Very low	43.1	Very low	144 Å²	144	102.7 Å²	102.7	77%	0.77	52%	0.524	S	S	*	.	H	α-helix	trans	-67.6	-40.1	-168.3	-64.9	11	0	0	0	113	K249 H250	N247-K249 VanDerWaalsContact C-N 3.29Å; N247-K249 PolarHBondContact O-N 2.94Å; N247-H250 PolarHBondContact O-N 3.34Å
248	S	42.4	Very low	43	Very low	61 Å²	61	104.4 Å²	104.4	43%	0.427	53%	0.532	S	S	.	.	H	α-helix	trans	-79	-8.7	-179.3	101	0	0	0	0	114.2	N245 K246 S251	N245-S248 PolarHBondContact ND2-OG 3.08Å; N245-S248 PolarHBondContact OD1-N 2.99Å; N245-S248 PolarHBondContact OD1-OG 3.44Å; K246-S248 PolarHBondContact O-N 2.95Å; S248-S251 PolarHBondContact O-OG 3.5Å
249	K	38	Very low	43.2	Very low	58 Å²	58	104.7 Å²	104.7	25%	0.252	51%	0.51	S	S	.	.	H	α-helix	trans	-84.4	-42.4	170.7	-66.8	-179.9	-175.6	167.1	0	110.9	T239 K246 N247 S251 N252 F253	T239-K249 PolarHBondContact OG1-NZ 3.36Å; K246-K249 PolarHBondContact O-N 3.04Å; N247-K249 VanDerWaalsContact C-N 3.29Å; N247-K249 PolarHBondContact O-N 2.94Å; K249-S251 VanDerWaalsContact C-N 3.3Å; K249-S251 PolarHBondContact O-N 2.91Å; K249-N252 PolarHBondContact O-N 3.48Å; K249-F253 PolarHBondContact O-N 2.97Å; K249-F253 VanDerWaalsContact O-N 3.07Å
250	H	38.1	Very low	43.5	Very low	118 Å²	118	105.4 Å²	105.4	55%	0.546	51%	0.509	S	S	.	.	H	α-helix	trans	-66.6	-31.6	-174.8	-147.3	-37.8	0	0	0	112.7	K246 N247 N254	K246-H250 PolarHBondContact O-N 3.39Å; N247-H250 PolarHBondContact O-N 3.34Å; H250-N254 PolarHBondContact CE1-OD1 2.79Å; H250-N254 PolarHBondContact ND1-OD1 2.98Å; H250-N254 VanDerWaalsContact ND1-OD1 3.15Å; H250-N254 WeakPolarHBondContact O-CB 3.49Å; H250-N254 PolarHBondContact O-N 2.91Å; H250-N254 PolarHBondContact O-ND2 2.86Å; H250-N254 PolarHBondContact O-OD1 3.21Å
251	S	39.3	Very low	43.8	Very low	63 Å²	63	106.6 Å²	106.6	44%	0.441	51%	0.513	S	S	.	.	H	α-helix	trans	-61.2	-50.2	171.5	53.4	0	0	0	0	112	S248 K249 F253 N254 F255	S248-S251 PolarHBondContact O-OG 3.5Å; K249-S251 VanDerWaalsContact C-N 3.3Å; K249-S251 PolarHBondContact O-N 2.91Å; S251-F253 PolarHBondContact O-N 3.13Å; S251-N254 PolarHBondContact O-N 2.61Å; S251-F255 PolarHBondContact O-N 3.09Å
252	N	44.1	Very low	44.2	Very low	100 Å²	100	104.3 Å²	104.3	54%	0.535	50%	0.5	S	S	.	.	H	α-helix	trans	-65.7	-39.8	-178	-67.6	4.6	0	0	0	111.4	K249 F255 F256	K249-N252 PolarHBondContact O-N 3.48Å; N252-F255 PolarHBondContact O-N 3.31Å; N252-F256 VanDerWaalsContact O-CD2 3.31Å; N252-F256 WeakPolarHBondContact O-CD2 3.4Å; N252-F256 PolarHBondContact O-N 3.36Å; N252-F256 VanDerWaalsContact O-N 3.07Å
253	F	41.5	Very low	44.7	Very low	69 Å²	69	100.9 Å²	100.9	30%	0.303	48%	0.481	S	S	.	.	H	α-helix	trans	-64.3	-41.8	174.9	-175.6	-104.3	0	0	0	112.4	K249 S251 F256 N257	K249-F253 PolarHBondContact O-N 2.97Å; K249-F253 VanDerWaalsContact O-N 3.07Å; S251-F253 PolarHBondContact O-N 3.13Å; F253-F256 PolarHBondContact O-N 3.11Å; F253-N257 WeakPolarHBondContact CE1-ND2 3.35Å; F253-N257 PolarHBondContact O-N 2.98Å; F253-N257 VanDerWaalsContact O-N 3.1Å
254	N	40.5	Very low	45.4	Very low	74 Å²	74	95.8 Å²	95.8	40%	0.396	46%	0.46	S	S	.	.	H	α-helix	trans	-63.7	-45.6	175.9	-70.5	-0.9	0	0	0	111.2	H250 S251 F256 N257 E258	H250-N254 PolarHBondContact CE1-OD1 2.79Å; H250-N254 PolarHBondContact ND1-OD1 2.98Å; H250-N254 VanDerWaalsContact ND1-OD1 3.15Å; H250-N254 WeakPolarHBondContact O-CB 3.49Å; H250-N254 PolarHBondContact O-N 2.91Å; H250-N254 PolarHBondContact O-ND2 2.86Å; H250-N254 PolarHBondContact O-OD1 3.21Å; S251-N254 PolarHBondContact O-N 2.61Å; N254-F256 VanDerWaalsContact C-N 3.35Å; N254-F256 PolarHBondContact O-N 2.68Å; N254-N257 CarbonylContact O-C 3.58Å; N254-N257 WeakPolarHBondContact O-CA 3.37Å; N254-N257 WeakPolarHBondContact O-CB 3.45Å; N254-N257 PolarHBondContact O-N 3.09Å; N254-E258 PolarHBondContact O-N 3.33Å
255	F	44.9	Very low	46	Very low	107 Å²	107	91.3 Å²	91.3	47%	0.469	44%	0.442	S	S	.	.	H	α-helix	trans	-56.4	-44.3	175.9	179.3	-103.6	0	0	0	112.5	S251 N252 N257 E258 R259	S251-F255 PolarHBondContact O-N 3.09Å; N252-F255 PolarHBondContact O-N 3.31Å; F255-N257 VanDerWaalsContact C-N 3.31Å; F255-N257 PolarHBondContact O-N 2.94Å; F255-E258 PolarHBondContact O-N 3.28Å; F255-R259 VanDerWaalsContact O-CB 3.31Å; F255-R259 WeakPolarHBondContact O-CB 3.47Å; F255-R259 PolarHBondContact O-N 3.37Å
256	F	47.3	Very low	46.2	Very low	72 Å²	72	89.6 Å²	89.6	32%	0.316	44%	0.439	S	S	.	.	H	α-helix	trans	-65.1	-31.3	174.3	-86.3	-67.2	0	0	0	113.3	N252 F253 N254 R260 Y552	N252-F256 VanDerWaalsContact O-CD2 3.31Å; N252-F256 WeakPolarHBondContact O-CD2 3.4Å; N252-F256 PolarHBondContact O-N 3.36Å; N252-F256 VanDerWaalsContact O-N 3.07Å; F253-F256 PolarHBondContact O-N 3.11Å; N254-F256 VanDerWaalsContact C-N 3.35Å; N254-F256 PolarHBondContact O-N 2.68Å; F256-R260 VanDerWaalsContact O-CB 3.24Å; F256-R260 WeakPolarHBondContact O-CB 3.31Å; F256-R260 PolarHBondContact O-N 3.04Å; F256-R260 VanDerWaalsContact O-N 3.08Å; F256-Y552 HydrophobicContact CE2-CE2 4.37Å; F256-Y552 AromaticContact CZ-CE2 3.97Å; F256-Y552 HydrophobicContact CZ-CE2 3.97Å
257	N	48.5	Very low	46.6	Very low	53 Å²	53	87.2 Å²	87.2	28%	0.283	43%	0.433	S	S	.	.	H	α-helix	trans	-76.1	-33	174.8	-103.3	-20.3	0	0	0	112.9	F253 N254 F255 R260 K261	F253-N257 WeakPolarHBondContact CE1-ND2 3.35Å; F253-N257 PolarHBondContact O-N 2.98Å; F253-N257 VanDerWaalsContact O-N 3.1Å; N254-N257 CarbonylContact O-C 3.58Å; N254-N257 WeakPolarHBondContact O-CA 3.37Å; N254-N257 WeakPolarHBondContact O-CB 3.45Å; N254-N257 PolarHBondContact O-N 3.09Å; F255-N257 VanDerWaalsContact C-N 3.31Å; F255-N257 PolarHBondContact O-N 2.94Å; N257-R260 WeakPolarHBondContact O-CB 3.18Å; N257-R260 PolarHBondContact OD1-NE 3.14Å; N257-K261 PolarHBondContact O-N 3.25Å
258	E	53.1	Low	47.2	Very low	133 Å²	133	85.2 Å²	85.2	62%	0.621	42%	0.421	S	S	*	.	H	α-helix	trans	-73	-46.3	173.5	-69.7	-172.2	148.1	0	0	111.6	N254 F255 R260 K261 F262	N254-E258 PolarHBondContact O-N 3.33Å; F255-E258 PolarHBondContact O-N 3.28Å; E258-R260 PolarHBondContact O-N 2.7Å; E258-K261 PolarHBondContact O-N 3.25Å; E258-K261 VanDerWaalsContact O-N 3.11Å; E258-F262 WeakPolarHBondContact O-CB 3.36Å; E258-F262 PolarHBondContact O-N 2.85Å
259	R	53.8	Low	47.4	Very low	77 Å²	77	91.1 Å²	91.1	29%	0.291	43%	0.434	S	S	.	.	H	α-helix	trans	-58.8	-30.6	172.3	-167.1	166.5	175.7	159.2	-7.8	111.3	F255 M263 E676	F255-R259 VanDerWaalsContact O-CB 3.31Å; F255-R259 WeakPolarHBondContact O-CB 3.47Å; F255-R259 PolarHBondContact O-N 3.37Å; R259-M263 HydrophobicContact CG-CE 4.37Å; R259-M263 WeakPolarHBondContact O-CB 3.36Å; R259-M263 WeakPolarHBondContact O-CG 3.43Å; R259-M263 PolarHBondContact O-N 3.23Å; R259-M263 VanDerWaalsContact O-N 3.17Å; R259-E676 IonicContact CZ-OE1 3.21Å; R259-E676 IonicContact CZ-OE2 2.88Å; R259-E676 IonicContact NH1-OE1 2.76Å; R259-E676 PolarHBondContact NH1-OE1 3.12Å; R259-E676 IonicContact NH1-OE2 3.32Å; R259-E676 PolarHBondContact NH1-OE2 2.81Å; R259-E676 IonicContact NH2-OE1 2.73Å; R259-E676 IonicContact NH2-OE2 2.84Å; R259-E676 PolarHBondContact NH2-OE2 2.75Å
260	R	53.4	Low	48	Very low	53 Å²	53	92.9 Å²	92.9	20%	0.2	45%	0.446	C	S	.	.	H	α-helix	trans	-67.8	-53.5	169.9	-172.7	-167.1	-53.5	-169.4	3.3	112.4	N229 F256 N257 E258 F262 M263 E264	N229-R260 PolarHBondContact OD1-NH1 2.97Å; F256-R260 VanDerWaalsContact O-CB 3.24Å; F256-R260 WeakPolarHBondContact O-CB 3.31Å; F256-R260 PolarHBondContact O-N 3.04Å; F256-R260 VanDerWaalsContact O-N 3.08Å; N257-R260 WeakPolarHBondContact O-CB 3.18Å; N257-R260 PolarHBondContact OD1-NE 3.14Å; E258-R260 PolarHBondContact O-N 2.7Å; R260-F262 VanDerWaalsContact C-N 3.32Å; R260-F262 PolarHBondContact O-N 2.83Å; R260-M263 PolarHBondContact O-N 2.8Å; R260-E264 PolarHBondContact O-N 2.92Å
261	K	50.8	Low	48.4	Very low	146 Å²	146	91.8 Å²	91.8	64%	0.635	44%	0.444	S	S	*	.	H	α-helix	trans	-56.7	-45.8	177.2	-78.5	-177.4	177.1	179.7	0	111.8	N257 E258 M263 E264 D265	N257-K261 PolarHBondContact O-N 3.25Å; E258-K261 PolarHBondContact O-N 3.25Å; E258-K261 VanDerWaalsContact O-N 3.11Å; K261-M263 VanDerWaalsContact C-N 3.33Å; K261-M263 PolarHBondContact O-N 3.38Å; K261-E264 PolarHBondContact O-N 3.05Å; K261-E264 VanDerWaalsContact O-N 3.14Å; K261-D265 PolarHBondContact O-N 3.01Å
262	F	51.3	Low	48.9	Very low	153 Å²	153	93.7 Å²	93.7	67%	0.671	45%	0.45	S	S	*	.	H	α-helix	trans	-60.4	-40.4	178.3	-174	-94.5	0	0	0	112.1	E258 R260 A266	E258-F262 WeakPolarHBondContact O-CB 3.36Å; E258-F262 PolarHBondContact O-N 2.85Å; R260-F262 VanDerWaalsContact C-N 3.32Å; R260-F262 PolarHBondContact O-N 2.83Å; F262-A266 VanDerWaalsContact O-CB 3.23Å; F262-A266 WeakPolarHBondContact O-CB 3.42Å; F262-A266 PolarHBondContact O-N 3.24Å
263	M	49.6	Very low	49.1	Very low	57 Å²	57	94.1 Å²	94.1	28%	0.281	45%	0.448	S	S	.	.	H	α-helix	trans	-71.4	-33.5	173.2	-79.7	-163.8	-75.5	0	0	113.8	R259 R260 K261 N267 Y665	R259-M263 HydrophobicContact CG-CE 4.37Å; R259-M263 WeakPolarHBondContact O-CB 3.36Å; R259-M263 WeakPolarHBondContact O-CG 3.43Å; R259-M263 PolarHBondContact O-N 3.23Å; R259-M263 VanDerWaalsContact O-N 3.17Å; R260-M263 PolarHBondContact O-N 2.8Å; K261-M263 VanDerWaalsContact C-N 3.33Å; K261-M263 PolarHBondContact O-N 3.38Å; M263-N267 WeakPolarHBondContact O-CB 3.32Å; M263-N267 PolarHBondContact O-N 3.36Å; M263-N267 PolarHBondContact O-ND2 2.87Å; M263-Y665 HydrophobicContact CE-CE1 4.46Å; M263-Y665 HydrophobicContact SD-CE1 4.42Å
264	E	51.9	Low	49.4	Very low	80 Å²	80	94.3 Å²	94.3	37%	0.374	45%	0.452	S	S	.	.	H	α-helix	trans	-67.2	-41.9	173.6	-74.2	-178.3	157.8	0	0	111	N225 R260 K261 N267 L268	N225-E264 PolarHBondContact ND2-OE1 2.6Å; R260-E264 PolarHBondContact O-N 2.92Å; K261-E264 PolarHBondContact O-N 3.05Å; K261-E264 VanDerWaalsContact O-N 3.14Å; E264-N267 PolarHBondContact O-N 2.83Å; E264-L268 WeakPolarHBondContact O-CB 3.38Å; E264-L268 PolarHBondContact O-N 2.9Å
265	D	55	Low	49.9	Very low	86 Å²	86	97.4 Å²	97.4	46%	0.46	46%	0.464	S	S	.	.	H	α-helix	trans	-65.3	-42.9	172.5	-83.5	-25.2	0	0	0	112.7	K261 L268 R269	K261-D265 PolarHBondContact O-N 3.01Å; D265-L268 PolarHBondContact O-N 3.49Å; D265-R269 VanDerWaalsContact O-CG 3.3Å; D265-R269 WeakPolarHBondContact O-CG 3.47Å; D265-R269 PolarHBondContact O-N 2.93Å
266	A	49.6	Very low	50.1	Low	46 Å²	46	97.1 Å²	97.1	38%	0.38	46%	0.464	S	S	.	.	H	α-helix	trans	-62	-43.4	175.7	0	0	0	0	0	111.4	F262 R269 L270	F262-A266 VanDerWaalsContact O-CB 3.23Å; F262-A266 WeakPolarHBondContact O-CB 3.42Å; F262-A266 PolarHBondContact O-N 3.24Å; A266-R269 PolarHBondContact O-N 3.1Å; A266-L270 WeakPolarHBondContact O-CB 3.23Å; A266-L270 PolarHBondContact O-N 3.38Å
267	N	47.5	Very low	50.1	Low	82 Å²	82	101.2 Å²	101.2	44%	0.439	48%	0.477	S	S	.	.	H	α-helix	trans	-66.3	-37	173.1	-94	-50.8	0	0	0	112.6	M263 E264 L270 N271	M263-N267 WeakPolarHBondContact O-CB 3.32Å; M263-N267 PolarHBondContact O-N 3.36Å; M263-N267 PolarHBondContact O-ND2 2.87Å; E264-N267 PolarHBondContact O-N 2.83Å; N267-L270 PolarHBondContact O-N 2.91Å; N267-N271 WeakPolarHBondContact O-CB 3.32Å; N267-N271 PolarHBondContact O-N 3.48Å
268	L	51.7	Low	50	Low	101 Å²	101	102.9 Å²	102.9	53%	0.529	49%	0.49	S	S	.	.	H	α-helix	trans	-61.9	-42.7	173.8	-106.2	159.4	0	0	0	111.7	E264 D265 N272	E264-L268 WeakPolarHBondContact O-CB 3.38Å; E264-L268 PolarHBondContact O-N 2.9Å; D265-L268 PolarHBondContact O-N 3.49Å; L268-N272 VanDerWaalsContact O-CB 3.31Å; L268-N272 WeakPolarHBondContact O-CB 3.43Å; L268-N272 VanDerWaalsContact O-CG 3.27Å; L268-N272 PolarHBondContact O-N 2.92Å; L268-N272 PolarHBondContact O-ND2 3.19Å
269	R	45.4	Very low	49.6	Very low	185 Å²	185	98.9 Å²	98.9	70%	0.698	48%	0.476	S	S	*	.	H	α-helix	trans	-62.8	-49.5	173.1	-68.4	170.7	-168.1	-152.1	4.4	111.3	D265 A266 N271 N272 E273	D265-R269 VanDerWaalsContact O-CG 3.3Å; D265-R269 WeakPolarHBondContact O-CG 3.47Å; D265-R269 PolarHBondContact O-N 2.93Å; A266-R269 PolarHBondContact O-N 3.1Å; R269-N271 VanDerWaalsContact C-N 3.34Å; R269-N271 PolarHBondContact O-N 3.27Å; R269-N272 PolarHBondContact O-N 2.79Å; R269-E273 PolarHBondContact O-N 3.07Å
270	L	50.1	Low	49.5	Very low	95 Å²	95	101.1 Å²	101.1	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-62.6	-40	-179.8	-154.7	86.6	0	0	0	112.1	A266 N267 E273 N274	A266-L270 WeakPolarHBondContact O-CB 3.23Å; A266-L270 PolarHBondContact O-N 3.38Å; N267-L270 PolarHBondContact O-N 2.91Å; L270-E273 PolarHBondContact O-N 3.28Å; L270-N274 WeakPolarHBondContact O-CB 3.44Å; L270-N274 VanDerWaalsContact O-CG 3.28Å; L270-N274 PolarHBondContact O-N 2.97Å; L270-N274 PolarHBondContact O-ND2 3.23Å
271	N	47.7	Very low	49.4	Very low	95 Å²	95	103.8 Å²	103.8	51%	0.508	51%	0.506	S	S	.	.	H	α-helix	trans	-72.6	-35.4	179.4	-152.9	32.8	0	0	0	111.4	N267 R269 N274 H275	N267-N271 WeakPolarHBondContact O-CB 3.32Å; N267-N271 PolarHBondContact O-N 3.48Å; R269-N271 VanDerWaalsContact C-N 3.34Å; R269-N271 PolarHBondContact O-N 3.27Å; N271-N274 PolarHBondContact O-N 3.39Å; N271-H275 WeakPolarHBondContact O-CB 3.49Å; N271-H275 PolarHBondContact O-N 3.4Å
272	N	48.8	Very low	49.3	Very low	104 Å²	104	103.3 Å²	103.3	56%	0.556	50%	0.504	S	S	*	.	H	α-helix	trans	-66	-39.9	169.3	-77.8	-23.9	0	0	0	112.2	L268 R269 H275 H276	L268-N272 VanDerWaalsContact O-CB 3.31Å; L268-N272 WeakPolarHBondContact O-CB 3.43Å; L268-N272 VanDerWaalsContact O-CG 3.27Å; L268-N272 PolarHBondContact O-N 2.92Å; L268-N272 PolarHBondContact O-ND2 3.19Å; R269-N272 PolarHBondContact O-N 2.79Å; N272-H275 PolarHBondContact O-N 3.15Å; N272-H276 WeakPolarHBondContact O-CB 3.44Å; N272-H276 PolarHBondContact O-N 2.79Å
273	E	49.4	Very low	49.4	Very low	108 Å²	108	102.7 Å²	102.7	51%	0.505	50%	0.501	S	S	.	.	H	α-helix	trans	-61.8	-42.9	171.5	-78.5	-151.9	167.6	0	0	111.8	R269 L270 H276 R277	R269-E273 PolarHBondContact O-N 3.07Å; L270-E273 PolarHBondContact O-N 3.28Å; E273-H276 CarbonylContact O-C 3.55Å; E273-H276 PolarHBondContact O-N 3.32Å; E273-R277 WeakPolarHBondContact O-CB 3.4Å; E273-R277 VanDerWaalsContact O-CG 3.28Å; E273-R277 WeakPolarHBondContact O-CG 3.49Å; E273-R277 PolarHBondContact O-N 3.42Å; E273-R277 IonicContact OE2-NH2 3.59Å
274	N	47.5	Very low	49.8	Very low	73 Å²	73	106.8 Å²	106.8	39%	0.39	52%	0.517	S	S	.	.	H	α-helix	trans	-64.2	-42.7	176.1	-73.9	-26.3	0	0	0	111.3	L270 N271 H276 R277 V278	L270-N274 WeakPolarHBondContact O-CB 3.44Å; L270-N274 VanDerWaalsContact O-CG 3.28Å; L270-N274 PolarHBondContact O-N 2.97Å; L270-N274 PolarHBondContact O-ND2 3.23Å; N271-N274 PolarHBondContact O-N 3.39Å; N274-H276 VanDerWaalsContact C-N 3.29Å; N274-H276 PolarHBondContact O-N 2.99Å; N274-R277 PolarHBondContact O-N 3.43Å; N274-V278 WeakPolarHBondContact O-CB 3.36Å; N274-V278 WeakPolarHBondContact O-CG2 3.36Å; N274-V278 PolarHBondContact O-N 2.74Å
275	H	51.3	Low	49.4	Very low	139 Å²	139	107.1 Å²	107.1	64%	0.644	52%	0.521	S	S	*	.	H	α-helix	trans	-60.5	-39.4	172.9	-134.1	-70.1	0	0	0	111.7	N271 N272 S279	N271-H275 WeakPolarHBondContact O-CB 3.49Å; N271-H275 PolarHBondContact O-N 3.4Å; N272-H275 PolarHBondContact O-N 3.15Å; H275-S279 WeakPolarHBondContact O-CB 3.41Å; H275-S279 PolarHBondContact O-N 3.2Å
276	H	47.7	Very low	48.9	Very low	102 Å²	102	110.1 Å²	110.1	47%	0.472	53%	0.53	S	S	.	.	H	α-helix	trans	-71.8	-34.8	176.2	-167.3	6.9	0	0	0	112.4	N272 E273 N274 K280	N272-H276 WeakPolarHBondContact O-CB 3.44Å; N272-H276 PolarHBondContact O-N 2.79Å; E273-H276 CarbonylContact O-C 3.55Å; E273-H276 PolarHBondContact O-N 3.32Å; N274-H276 VanDerWaalsContact C-N 3.29Å; N274-H276 PolarHBondContact O-N 2.99Å; H276-K280 WeakPolarHBondContact CE1-CE 3.5Å; H276-K280 PolarHBondContact CE1-NZ 3.09Å; H276-K280 PolarHBondContact NE2-NZ 3.18Å; H276-K280 VanDerWaalsContact O-CB 3.28Å; H276-K280 WeakPolarHBondContact O-CB 3.27Å; H276-K280 WeakPolarHBondContact O-CG 3.36Å; H276-K280 PolarHBondContact O-N 3.39Å
277	R	48.9	Very low	48.9	Very low	157 Å²	157	110 Å²	110	59%	0.592	53%	0.527	S	S	*	.	H	α-helix	trans	-68.9	-45.1	174.8	-76.6	173.6	-178	-129.3	1.4	111.7	E273 N274 K280 L281	E273-R277 WeakPolarHBondContact O-CB 3.4Å; E273-R277 VanDerWaalsContact O-CG 3.28Å; E273-R277 WeakPolarHBondContact O-CG 3.49Å; E273-R277 PolarHBondContact O-N 3.42Å; E273-R277 IonicContact OE2-NH2 3.59Å; N274-R277 PolarHBondContact O-N 3.43Å; R277-K280 PolarHBondContact O-N 3.38Å; R277-L281 WeakPolarHBondContact O-CB 3.49Å; R277-L281 PolarHBondContact O-N 3.14Å
278	V	46	Very low	48.7	Very low	89 Å²	89	112 Å²	112	54%	0.539	54%	0.537	S	S	.	.	H	α-helix	trans	-62.1	-45.2	173.3	172.2	0	0	0	0	110.2	N274 K280 L281 F282	N274-V278 WeakPolarHBondContact O-CB 3.36Å; N274-V278 WeakPolarHBondContact O-CG2 3.36Å; N274-V278 PolarHBondContact O-N 2.74Å; V278-K280 PolarHBondContact O-N 2.72Å; V278-L281 WeakPolarHBondContact O-CB 3.39Å; V278-L281 PolarHBondContact O-N 3.39Å; V278-F282 WeakPolarHBondContact O-CB 3.21Å; V278-F282 PolarHBondContact O-N 2.96Å
279	S	45.3	Very low	48.3	Very low	48 Å²	48	116.1 Å²	116.1	34%	0.336	55%	0.551	S	S	.	*	H	α-helix	trans	-59.9	-45.2	173.2	178.2	0	0	0	0	112.3	H275 L281 F282 F283	H275-S279 WeakPolarHBondContact O-CB 3.41Å; H275-S279 PolarHBondContact O-N 3.2Å; S279-L281 VanDerWaalsContact C-N 3.34Å; S279-L281 PolarHBondContact O-N 2.61Å; S279-F282 WeakPolarHBondContact O-CB 3.36Å; S279-F282 PolarHBondContact O-N 3.08Å; S279-F283 WeakPolarHBondContact O-CD2 3.31Å; S279-F283 PolarHBondContact O-N 3.02Å
280	K	51.6	Low	48.2	Very low	125 Å²	125	110 Å²	110	54%	0.543	55%	0.545	S	S	.	.	H	α-helix	trans	-62.4	-37.7	174.5	-87.8	171.5	166.7	154.1	0	112.4	H276 R277 V278 K284	H276-K280 WeakPolarHBondContact CE1-CE 3.5Å; H276-K280 PolarHBondContact CE1-NZ 3.09Å; H276-K280 PolarHBondContact NE2-NZ 3.18Å; H276-K280 VanDerWaalsContact O-CB 3.28Å; H276-K280 WeakPolarHBondContact O-CB 3.27Å; H276-K280 WeakPolarHBondContact O-CG 3.36Å; H276-K280 PolarHBondContact O-N 3.39Å; R277-K280 PolarHBondContact O-N 3.38Å; V278-K280 PolarHBondContact O-N 2.72Å; K280-K284 WeakPolarHBondContact O-CB 3.42Å; K280-K284 PolarHBondContact O-N 2.89Å
281	L	50.8	Low	47.5	Very low	109 Å²	109	115.1 Å²	115.1	57%	0.571	56%	0.558	S	S	*	*	H	α-helix	trans	-63	-45.2	172.1	-101.8	160.3	0	0	0	111.3	R277 V278 S279 K284 L285	R277-L281 WeakPolarHBondContact O-CB 3.49Å; R277-L281 PolarHBondContact O-N 3.14Å; V278-L281 WeakPolarHBondContact O-CB 3.39Å; V278-L281 PolarHBondContact O-N 3.39Å; S279-L281 VanDerWaalsContact C-N 3.34Å; S279-L281 PolarHBondContact O-N 2.61Å; L281-K284 PolarHBondContact O-N 2.99Å; L281-L285 WeakPolarHBondContact O-CB 3.44Å; L281-L285 PolarHBondContact O-N 3.22Å
282	F	49.1	Very low	46.9	Very low	135 Å²	135	119.2 Å²	119.2	59%	0.592	57%	0.574	S	S	*	*	H	α-helix	trans	-62.2	-44.7	177.2	-153.7	-91.6	0	0	0	111.9	V278 S279 K286	V278-F282 WeakPolarHBondContact O-CB 3.21Å; V278-F282 PolarHBondContact O-N 2.96Å; S279-F282 WeakPolarHBondContact O-CB 3.36Å; S279-F282 PolarHBondContact O-N 3.08Å; F282-K286 VanDerWaalsContact O-CB 3.29Å; F282-K286 WeakPolarHBondContact O-CB 3.15Å; F282-K286 PolarHBondContact O-N 3.3Å
283	F	51.9	Low	46.3	Very low	141 Å²	141	122.3 Å²	122.3	62%	0.618	59%	0.588	S	S	*	*	H	α-helix	trans	-65	-35.8	172.2	-90	-78.4	0	0	0	112.8	S279 K286 S287	S279-F283 WeakPolarHBondContact O-CD2 3.31Å; S279-F283 PolarHBondContact O-N 3.02Å; F283-K286 PolarHBondContact O-N 3.29Å; F283-S287 WeakPolarHBondContact O-CB 3.46Å; F283-S287 PolarHBondContact O-N 3.04Å; F283-S287 PolarHBondContact O-OG 3.12Å
284	K	58.5	Low	45.5	Very low	143 Å²	143	124.9 Å²	124.9	62%	0.622	61%	0.606	S	S	*	*	H	α-helix	trans	-71.7	-42.2	178.8	-160.6	172.9	-173.2	-175.5	0	111.4	K280 L281 S287 L288	K280-K284 WeakPolarHBondContact O-CB 3.42Å; K280-K284 PolarHBondContact O-N 2.89Å; L281-K284 PolarHBondContact O-N 2.99Å; K284-S287 WeakPolarHBondContact CA-OG 3.38Å; K284-S287 CarbonylContact O-C 3.59Å; K284-S287 PolarHBondContact O-N 3.32Å; K284-S287 PolarHBondContact O-OG 2.59Å; K284-L288 WeakPolarHBondContact O-CG 3.27Å; K284-L288 PolarHBondContact O-N 2.84Å
285	L	44	Very low	44.8	Very low	87 Å²	87	125.6 Å²	125.6	46%	0.455	62%	0.621	S	S	.	*	H	α-helix	trans	-57.8	-48.6	168	-81.8	157.8	0	0	0	111.3	L281 S287 L288 F289	L281-L285 WeakPolarHBondContact O-CB 3.44Å; L281-L285 PolarHBondContact O-N 3.22Å; L285-S287 PolarHBondContact O-N 3.17Å; L285-L288 PolarHBondContact O-N 3.49Å; L285-F289 HydrophobicContact CD2-CE2 4.2Å; L285-F289 PolarHBondContact O-N 3.05Å
286	K	45.4	Very low	43.9	Very low	149 Å²	149	124.1 Å²	124.1	65%	0.648	62%	0.624	S	S	*	*	H	α-helix	trans	-59.7	-31.3	175.3	-169.7	172	-177.7	176.6	0	112.8	F282 F283 G290	F282-K286 VanDerWaalsContact O-CB 3.29Å; F282-K286 WeakPolarHBondContact O-CB 3.15Å; F282-K286 PolarHBondContact O-N 3.3Å; F283-K286 PolarHBondContact O-N 3.29Å; K286-G290 WeakPolarHBondContact O-CA 3.11Å; K286-G290 PolarHBondContact O-N 3.33Å; K286-G290 VanDerWaalsContact O-N 3.09Å
287	S	47.9	Very low	43	Very low	44 Å²	44	124.6 Å²	124.6	31%	0.308	63%	0.63	S	S	.	*	H	α-helix	trans	-82.2	-19.9	174.2	74.8	0	0	0	0	114.7	F283 K284 L285 R291	F283-S287 WeakPolarHBondContact O-CB 3.46Å; F283-S287 PolarHBondContact O-N 3.04Å; F283-S287 PolarHBondContact O-OG 3.12Å; K284-S287 WeakPolarHBondContact CA-OG 3.38Å; K284-S287 CarbonylContact O-C 3.59Å; K284-S287 PolarHBondContact O-N 3.32Å; K284-S287 PolarHBondContact O-OG 2.59Å; L285-S287 PolarHBondContact O-N 3.17Å; S287-R291 VanDerWaalsContact O-CD 3.22Å; S287-R291 WeakPolarHBondContact O-CD 3.39Å; S287-R291 WeakPolarHBondContact O-CG 3.34Å
288	L	44.7	Very low	42.1	Very low	123 Å²	123	123.8 Å²	123.8	64%	0.644	63%	0.631	S	S	*	*	H	α-helix	trans	-79.7	-45.8	173.7	-75.6	164.6	0	0	0	110.8	K284 L285 G290	K284-L288 WeakPolarHBondContact O-CG 3.27Å; K284-L288 PolarHBondContact O-N 2.84Å; L285-L288 PolarHBondContact O-N 3.49Å; L288-G290 VanDerWaalsContact C-N 3.32Å
289	F	43.6	Very low	41.2	Very low	188 Å²	188	127.8 Å²	127.8	83%	0.825	64%	0.636	S	S	*	*	H	α-helix	trans	-78.1	-12.6	175.1	-73.6	-80.3	0	0	0	114	L285	L285-F289 HydrophobicContact CD2-CE2 4.2Å; L285-F289 PolarHBondContact O-N 3.05Å
290	G	42.3	Very low	40.4	Very low	57 Å²	57	130.1 Å²	130.1	59%	0.588	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	2.4	-178.1	0	0	0	0	0	116.1	K286 L288	K286-G290 WeakPolarHBondContact O-CA 3.11Å; K286-G290 PolarHBondContact O-N 3.33Å; K286-G290 VanDerWaalsContact O-N 3.09Å; L288-G290 VanDerWaalsContact C-N 3.32Å
291	R	34.7	Very low	39.3	Very low	202 Å²	202	131.1 Å²	131.1	76%	0.762	66%	0.658	S	S	*	*			trans	-102.9	47.5	-175.5	-80.9	177.8	-177.5	-167.4	0.6	113.5	S287	S287-R291 VanDerWaalsContact O-CD 3.22Å; S287-R291 WeakPolarHBondContact O-CD 3.39Å; S287-R291 WeakPolarHBondContact O-CG 3.34Å
292	H	35.9	Very low	38.4	Very low	181 Å²	181	131.3 Å²	131.3	84%	0.838	67%	0.669	S	S	*	*			trans	-149.2	69.2	170.6	-122.2	-85.9	0	0	0	112
293	I	36.2	Very low	37.5	Very low	168 Å²	168	129.8 Å²	129.8	86%	0.862	68%	0.675	S	S	*	*	S	Bend	trans	-168.5	141.7	154.8	-98.2	147.5	0	0	0	106.6
294	N	32.3	Very low	36.2	Very low	163 Å²	163	129.8 Å²	129.8	87%	0.872	69%	0.686	S	S	*	*			trans	-83.4	123.5	-164.2	-65.8	-30.9	0	0	0	113.4
295	A	33.2	Very low	34.6	Very low	87 Å²	87	129.9 Å²	129.9	72%	0.719	69%	0.692	S	S	*	*			trans	-72	162.4	141.4	0	0	0	0	0	108
296	P	32.5	Very low	33.7	Very low	108 Å²	108	132.5 Å²	132.5	70%	0.701	70%	0.702	S	S	*	*				-152.5	-176.7	50.3	42.2	-21.5	0	0	0	117.7
297	D	28.6	Very low	32.8	Very low	112 Å²	112	135.5 Å²	135.5	60%	0.599	71%	0.71	S	S	*	*			trans	67.1	159.3	148.6	-90	-22.5	0	0	0	118.5
298	K	30.6	Very low	31.6	Very low	140 Å²	140	137.9 Å²	137.9	61%	0.609	73%	0.726	S	S	*	*			cis	-133.4	147	3.7	-112.8	128.2	-168.4	123.2	0	108.4
299	R	26.4	Very low	30.7	Very low	173 Å²	173	139.4 Å²	139.4	65%	0.653	73%	0.734	S	S	*	*				61.2	128.2	88	-141	-166.8	-66.3	-179	-4.1	111.2
300	C	27.9	Very low	29.8	Very low	97 Å²	97	135.4 Å²	135.4	66%	0.655	73%	0.729	S	S	*	*				-160.4	177.2	54.1	-73.4	0	0	0	0	110.8
301	E	29.8	Very low	29.1	Very low	147 Å²	147	139.8 Å²	139.8	69%	0.687	74%	0.739	S	S	*	*			cis	-163.3	154.3	-27	-100.7	155.8	166.9	0	0	106.1
302	S	30.7	Very low	28.7	Very low	113 Å²	113	135.3 Å²	135.3	79%	0.79	74%	0.739	S	S	*	*				142.6	157.8	107.3	58.9	0	0	0	0	108.4
303	S	30	Very low	28.4	Very low	103 Å²	103	137.9 Å²	137.9	72%	0.72	74%	0.741	S	S	*	*			cis	-170.7	126.5	-22.8	49.7	0	0	0	0	110.1
304	V	25.5	Very low	28.1	Very low	140 Å²	140	137.4 Å²	137.4	85%	0.848	74%	0.739	S	S	*	*			trans	-176.6	129.6	158.6	152.5	0	0	0	0	106.6
305	L	24.6	Very low	27.9	Very low	145 Å²	145	133.8 Å²	133.8	76%	0.759	73%	0.727	S	S	*	*			cis	-162.1	-177.5	-22.4	-124.2	161.7	0	0	0	109.6
306	H	25.4	Very low	27.8	Very low	143 Å²	143	137 Å²	137	66%	0.662	73%	0.732	S	S	*	*			trans	-47.8	168.4	169.4	-76.7	-157.1	0	0	0	115.3
307	R	25.3	Very low	27.7	Very low	212 Å²	212	137.4 Å²	137.4	80%	0.8	74%	0.737	S	S	*	*			cis	-150	139	7.8	-117.5	146.2	-179.1	167.9	-2.7	106.7
308	S	24.3	Very low	27.8	Very low	93 Å²	93	139.2 Å²	139.2	65%	0.65	75%	0.746	S	S	*	*				52.5	113.4	88.9	-164.9	0	0	0	0	115.9
309	L	24.2	Very low	27.9	Very low	156 Å²	156	137.9 Å²	137.9	82%	0.817	75%	0.749	S	S	*	*	S	Bend	trans	46.7	121	147.4	-59	169.6	0	0	0	119.9
310	S	26.2	Very low	28.2	Very low	103 Å²	103	138.1 Å²	138.1	72%	0.72	76%	0.755	S	S	*	*			trans	61.9	121.3	158.2	43.1	0	0	0	0	119.9
311	D	26.3	Very low	28.5	Very low	149 Å²	149	139.7 Å²	139.7	80%	0.797	76%	0.756	S	S	*	*			trans	66.1	105.5	144.8	-52.6	-30.9	0	0	0	123.4
312	S	27.7	Very low	28.6	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	76%	0.761	S	S	*	*			trans	94.6	127.2	133.2	81.3	0	0	0	0	123.8
313	R	29.1	Very low	28.9	Very low	235 Å²	235	139.6 Å²	139.6	89%	0.887	76%	0.758	S	S	*	*			trans	69.2	119.1	142.9	-66.6	177.4	179.9	-162.7	1.1	124.8
314	L	29.4	Very low	29	Very low	158 Å²	158	146.5 Å²	146.5	83%	0.827	77%	0.768	S	S	*	*			trans	78.3	113.2	132.8	-106.8	71.8	0	0	0	127.1
315	S	29.1	Very low	29.5	Very low	88 Å²	88	145.4 Å²	145.4	62%	0.615	76%	0.764	S	S	*	*				63.8	127.7	125	66.2	0	0	0	0	128.3
316	N	30.5	Very low	29.8	Very low	155 Å²	155	145.5 Å²	145.5	83%	0.829	77%	0.771	S	S	*	*			trans	85.1	133.2	133.9	-66.2	-7	0	0	0	126.5
317	S	29.6	Very low	30	Very low	115 Å²	115	144.5 Å²	144.5	80%	0.804	77%	0.774	S	S	*	*			trans	87.4	156.7	143.9	123.8	0	0	0	0	122.3
318	I	30.5	Very low	30.1	Very low	151 Å²	151	140.3 Å²	140.3	77%	0.774	78%	0.776	S	S	*	*			cis	-173.3	157.7	-34.6	-136.8	178.7	0	0	0	115.5
319	V	33.3	Very low	30.3	Very low	112 Å²	112	142 Å²	142	68%	0.679	78%	0.778	S	S	*	*			trans	77.4	116.6	151.3	164.4	0	0	0	0	126.8
320	K	32.2	Very low	30.4	Very low	178 Å²	178	141 Å²	141	77%	0.774	77%	0.772	S	S	*	*			trans	52.6	141.8	131.8	-60.8	-175.5	178.6	177.8	0	128.8
321	N	34.2	Very low	30.7	Very low	129 Å²	129	142.5 Å²	142.5	69%	0.69	78%	0.777	S	S	*	*				120.3	114.8	116.4	-98.5	16.8	0	0	0	124.3
322	N	32.3	Very low	30.9	Very low	148 Å²	148	144.3 Å²	144.3	79%	0.791	78%	0.781	S	S	*	*			trans	78.5	156.6	135.1	-79.5	4.7	0	0	0	126.4
323	P	38.2	Very low	31.4	Very low	110 Å²	110	144 Å²	144	71%	0.714	78%	0.777	S	S	*	*			trans	-137.4	176.7	-157.4	44.8	-27.4	0	0	0	118.2
324	R	30.1	Very low	31.8	Very low	248 Å²	248	141.6 Å²	141.6	94%	0.936	77%	0.772	S	S	*	*			trans	-178	163.4	134.5	-102.9	175.2	-167.5	-148.8	3.6	114.1
325	P	36.6	Very low	32	Very low	117 Å²	117	141 Å²	141	76%	0.76	77%	0.77	S	S	*	*			trans	-119.7	163.8	-175.8	41.8	-31	0	0	0	116.1
326	T	31.9	Very low	32.2	Very low	148 Å²	148	142 Å²	142	91%	0.908	77%	0.772	S	S	*	*			trans	-151.2	164.2	165.2	-37.4	0	0	0	0	111.7
327	V	28.5	Very low	32.3	Very low	121 Å²	121	139.9 Å²	139.9	73%	0.733	77%	0.765	S	S	*	*			trans	-123.9	147.9	-173.9	172.7	0	0	0	0	111.3
328	C	27.8	Very low	32.3	Very low	125 Å²	125	143.2 Å²	143.2	85%	0.845	77%	0.768	S	S	*	*			trans	-168.9	100.9	152.3	-115.2	0	0	0	0	117.1
329	N	28	Very low	32.3	Very low	127 Å²	127	139.1 Å²	139.1	68%	0.679	76%	0.762	S	S	*	*				40.6	130.7	120.1	-80.3	6.3	0	0	0	126.7
330	I	27.8	Very low	32.3	Very low	136 Å²	136	143.7 Å²	143.7	70%	0.697	78%	0.777	S	S	*	*			trans	69.9	117.8	131.2	-52.2	161.8	0	0	0	121.6
331	T	32.3	Very low	32.2	Very low	135 Å²	135	138.6 Å²	138.6	83%	0.828	78%	0.775	S	S	*	*				173.8	97.3	119.6	26.2	0	0	0	0	115.5
332	E	30.7	Very low	31.9	Very low	187 Å²	187	140.6 Å²	140.6	87%	0.874	78%	0.784	S	S	*	*				42.6	172.4	119.8	-105.5	-167.2	-140.6	0	0	125.5
333	P	38.2	Very low	31.7	Very low	102 Å²	102	137.8 Å²	137.8	66%	0.662	78%	0.776	S	S	*	*				-135.5	-167.3	-117.8	46.5	-27.6	0	0	0	116.4
334	K	36.6	Very low	31.4	Very low	184 Å²	184	139.6 Å²	139.6	80%	0.8	78%	0.78	S	S	*	*			trans	-171.9	139.8	146.7	-109.6	158.7	-173.4	172.7	0	115.7
335	N	34.2	Very low	31.5	Very low	146 Å²	146	136.7 Å²	136.7	78%	0.781	77%	0.774	S	S	*	*			trans	64.2	144.3	144.1	-72.7	19.1	0	0	0	120.2
336	V	33.1	Very low	31	Very low	109 Å²	109	137.6 Å²	137.6	66%	0.661	78%	0.778	S	S	*	*			cis	-160	154.7	-5.4	95.1	0	0	0	0	110.9
337	T	31.7	Very low	30.8	Very low	109 Å²	109	134.9 Å²	134.9	67%	0.669	77%	0.77	S	S	*	*			trans	54	143.1	170.4	53.2	0	0	0	0	118
338	E	31.1	Very low	30.6	Very low	186 Å²	186	134.4 Å²	134.4	87%	0.869	77%	0.772	S	S	*	*			cis	-163	155.1	-5.4	-104.9	159.1	-154	0	0	105.3
339	G	30.2	Very low	30.5	Very low	64 Å²	64	136.2 Å²	136.2	66%	0.66	77%	0.773	S	S	*	*			cis	175.6	135.8	-7.6	0	0	0	0	0	109.6
340	E	32.5	Very low	30.6	Very low	209 Å²	209	136.7 Å²	136.7	98%	0.977	78%	0.781	S	S	*	*			trans	62.9	151.5	169.6	-49.4	-172.2	159.1	0	0	118
341	G	29.8	Very low	30.8	Very low	71 Å²	71	134.9 Å²	134.9	73%	0.732	78%	0.78	S	S	*	*			cis	-171	154.2	-5.7	0	0	0	0	0	112.5
342	L	27.7	Very low	30.8	Very low	170 Å²	170	136 Å²	136	89%	0.89	78%	0.78	S	S	*	*			trans	-59.1	161.8	177.3	-84.3	53	0	0	0	112.3
343	S	28.9	Very low	30.8	Very low	90 Å²	90	131.8 Å²	131.8	63%	0.629	77%	0.771	S	S	*	*			cis	-167.4	152.5	30.4	-152.1	0	0	0	0	115.7
344	N	30.9	Very low	30.5	Very low	147 Å²	147	133.4 Å²	133.4	79%	0.786	78%	0.779	S	S	*	*			trans	70.5	131.3	146.8	-77.4	-27.5	0	0	0	124.8
345	K	32.4	Very low	30.1	Very low	187 Å²	187	129.1 Å²	129.1	81%	0.813	77%	0.772	S	S	*	*			trans	79.8	81.7	157.3	-66.7	-175.9	179.2	-179.8	0	121.1
346	T	27.4	Very low	29.9	Very low	137 Å²	137	129.8 Å²	129.8	84%	0.84	78%	0.775	S	S	*	*				29.4	133.7	119.4	55.6	0	0	0	0	120.2
347	A	26.2	Very low	29.8	Very low	91 Å²	91	128.9 Å²	128.9	75%	0.752	77%	0.774	S	S	*	*			cis	-166.2	177.1	1.5	0	0	0	0	0	112.6
348	S	25.4	Very low	29.7	Very low	111 Å²	111	129.8 Å²	129.8	78%	0.776	78%	0.779	S	S	*	*			trans	100.4	150.2	170.8	80.1	0	0	0	0	117.9
349	L	26.7	Very low	29.8	Very low	163 Å²	163	128.8 Å²	128.8	85%	0.853	78%	0.78	S	S	*	*			trans	69.8	115.7	171.4	-64.1	169.6	0	0	0	120
350	T	29.8	Very low	29.7	Very low	137 Å²	137	134.2 Å²	134.2	84%	0.84	79%	0.785	S	S	*	*			trans	-155.4	148	152	31.7	0	0	0	0	108
351	S	31.3	Very low	29.7	Very low	97 Å²	97	132.2 Å²	132.2	68%	0.678	78%	0.779	S	S	*	*			cis	-169.3	-178.4	-16.1	49.7	0	0	0	0	110.4
352	L	31.5	Very low	29.6	Very low	160 Å²	160	136.4 Å²	136.4	84%	0.838	78%	0.78	S	S	*	*			trans	83.4	124.9	172.7	-57	152.2	0	0	0	115.3
353	S	31.7	Very low	29.5	Very low	97 Å²	97	132.5 Å²	132.5	68%	0.678	77%	0.767	S	S	*	*			cis	164.5	160.9	-14.4	43.5	0	0	0	0	104.3
354	T	31.8	Very low	29.5	Very low	136 Å²	136	139.3 Å²	139.3	83%	0.834	78%	0.779	S	S	*	*			cis	-143.8	171.6	25.4	-49.8	0	0	0	0	110.3
355	S	27.7	Very low	29.3	Very low	95 Å²	95	137.2 Å²	137.2	66%	0.664	78%	0.776	S	S	*	*			trans	-101.7	164.9	-165	50	0	0	0	0	115.7
356	L	30.4	Very low	29	Very low	160 Å²	160	133.6 Å²	133.6	84%	0.838	77%	0.774	S	S	*	*				-162.9	159.5	119.7	-127.5	70.6	0	0	0	114.5
357	S	31.5	Very low	28.8	Very low	90 Å²	90	135 Å²	135	63%	0.629	78%	0.776	S	S	*	*			trans	-33.4	133.9	176.1	48.6	0	0	0	0	117.4
358	T	30.1	Very low	28.9	Very low	127 Å²	127	135.2 Å²	135.2	78%	0.779	78%	0.777	S	S	*	*				70.4	115.1	52.7	69.9	0	0	0	0	117.2
359	N	32	Very low	28.9	Very low	165 Å²	165	138.5 Å²	138.5	88%	0.882	78%	0.784	S	S	*	*				-158	162.9	118.7	-119.7	-37.8	0	0	0	113.8
360	K	28.6	Very low	28.9	Very low	179 Å²	179	139.5 Å²	139.5	78%	0.778	78%	0.781	S	S	*	*			trans	-101.8	168.7	-171.5	-69.5	176	175.7	174.8	0	113.5
361	I	31.2	Very low	28.7	Very low	166 Å²	166	139.4 Å²	139.4	85%	0.851	78%	0.781	S	S	*	*			trans	143.4	144.2	137.6	-76.3	157.2	0	0	0	110.7
362	Q	28.7	Very low	28.6	Very low	159 Å²	159	138.6 Å²	138.6	74%	0.743	79%	0.787	S	S	*	*				-171.9	126.5	-54.4	162.7	168.3	-19.7	0	0	108.6
363	S	26.1	Very low	28.4	Very low	88 Å²	88	137.7 Å²	137.7	62%	0.615	78%	0.783	S	S	*	*			trans	16.4	126	162.4	66.6	0	0	0	0	122.3
364	R	28.7	Very low	28.3	Very low	234 Å²	234	142.8 Å²	142.8	88%	0.883	79%	0.789	S	S	*	*				163.6	131.2	123.4	-88.5	166.2	175.4	-168.8	-1.9	108.3
365	S	25.5	Very low	28.3	Very low	103 Å²	103	141.8 Å²	141.8	72%	0.72	79%	0.785	S	S	*	*			cis	82.5	87.6	31.1	83.8	0	0	0	0	116.2
366	S	26.5	Very low	28.3	Very low	111 Å²	111	144.7 Å²	144.7	78%	0.776	79%	0.793	S	S	*	*			trans	-179.4	137.6	137.3	49.4	0	0	0	0	115.2
367	L	24.5	Very low	28.2	Very low	167 Å²	167	143.9 Å²	143.9	87%	0.874	79%	0.79	S	S	*	*			trans	48.8	149.1	139.7	-89.9	62.1	0	0	0	125.1
368	A	26.7	Very low	28.2	Very low	95 Å²	95	147.7 Å²	147.7	79%	0.785	80%	0.795	S	S	*	*			trans	68.1	88.3	144.6	0	0	0	0	0	119.7
369	I	25.7	Very low	28.1	Very low	179 Å²	179	149.2 Å²	149.2	92%	0.918	80%	0.799	S	S	*	*			trans	-94.9	120.7	152	-62.2	173.8	0	0	0	108.2
370	K	26.2	Very low	28.1	Very low	184 Å²	184	145.2 Å²	145.2	80%	0.8	80%	0.796	S	S	*	*			trans	-150.7	123	166.9	-164	174	-177.2	-178.9	0	111.1
371	T	26.7	Very low	28.1	Very low	136 Å²	136	140.2 Å²	140.2	83%	0.834	80%	0.796	S	S	*	*			trans	54	113.5	164.9	49.9	0	0	0	0	119
372	G	29.5	Very low	28	Very low	79 Å²	79	141.5 Å²	141.5	81%	0.814	80%	0.795	S	S	*	*			trans	-166.4	115.4	163.7	0	0	0	0	0	109.2
373	N	27.8	Very low	28.1	Very low	141 Å²	141	140.8 Å²	140.8	75%	0.754	80%	0.797	S	S	*	*			trans	-116.2	134.2	-160.3	-112.3	9.6	0	0	0	112.8
374	Y	27.6	Very low	28.3	Very low	205 Å²	205	143.5 Å²	143.5	80%	0.804	80%	0.804	S	S	*	*			trans	58.5	179.4	156.7	-64.7	-63.8	0	0	0	117.2
375	P	32.4	Very low	28.5	Very low	115 Å²	115	140.3 Å²	140.3	75%	0.747	80%	0.803	S	S	*	*				-125.2	-177	-62.8	37.8	-25.3	0	0	0	112.2
376	N	27.2	Very low	28.6	Very low	156 Å²	156	142.1 Å²	142.1	83%	0.834	81%	0.805	S	S	*	*			trans	-65.8	140.4	163.3	-58.2	-26	0	0	0	110.3
377	D	29.8	Very low	28.9	Very low	142 Å²	142	144.2 Å²	144.2	76%	0.759	81%	0.806	S	S	*	*				-163.4	162.6	127.7	-132.9	-23.1	0	0	0	115.1
378	F	31.5	Very low	29	Very low	171 Å²	171	140.8 Å²	140.8	75%	0.75	80%	0.796	S	S	*	*			trans	59	113.7	165	-84.8	-91.4	0	0	0	123.5
379	N	28.3	Very low	29.1	Very low	159 Å²	159	145.5 Å²	145.5	85%	0.85	80%	0.799	S	S	*	*			trans	-3.9	131.8	142.5	-71.1	-35.6	0	0	0	119.5
380	G	30.4	Very low	29.2	Very low	80 Å²	80	148.9 Å²	148.9	83%	0.825	80%	0.8	S	S	*	*			trans	-172.8	83.3	167	0	0	0	0	0	115.6
381	G	28.7	Very low	29.3	Very low	75 Å²	75	147.2 Å²	147.2	77%	0.773	80%	0.795	S	S	*	*			trans	-1.6	139.8	168.7	0	0	0	0	0	123.5
382	K	29.2	Very low	29.4	Very low	193 Å²	193	150 Å²	150	84%	0.839	80%	0.799	S	S	*	*			trans	53.3	105.6	136.9	-83.5	-171.3	174.6	-174.1	0	118.8
383	N	32.1	Very low	29.5	Very low	144 Å²	144	151.3 Å²	151.3	77%	0.77	80%	0.795	S	S	*	*				-179.9	160.6	96	-89.7	-15.5	0	0	0	112.8
384	D	28.6	Very low	29.7	Very low	145 Å²	145	151.2 Å²	151.2	78%	0.775	80%	0.795	S	S	*	*			trans	-55.4	145.3	-176	-39.6	-64.1	0	0	0	115.4
385	L	33.3	Very low	30	Very low	166 Å²	166	149.1 Å²	149.1	87%	0.869	79%	0.79	S	S	*	*				-157.9	132	126.7	-141.8	74.4	0	0	0	113.5
386	D	27.3	Very low	30	Very low	142 Å²	142	147.9 Å²	147.9	76%	0.759	78%	0.782	S	S	*	*			trans	-63.8	131.3	167.4	-91.5	-66.5	0	0	0	112.6
387	I	33	Very low	30.5	Very low	155 Å²	155	146.6 Å²	146.6	80%	0.795	77%	0.774	S	S	*	*			trans	-135.9	85.3	141.5	-54.2	-176.5	0	0	0	109.7	K389	I387-K389 PolarHBondContact O-N 2.82Å
388	S	26.3	Very low	30.8	Very low	95 Å²	95	145.7 Å²	145.7	66%	0.664	77%	0.768	S	S	*	*			trans	-69.6	122.7	156.8	53.4	0	0	0	0	109.6
389	K	29.3	Very low	31	Very low	194 Å²	194	141.1 Å²	141.1	84%	0.843	76%	0.758	S	S	*	*			trans	174.9	68.8	160.4	-98.8	151.4	-170.9	169.2	0	114	I387	I387-K389 PolarHBondContact O-N 2.82Å
390	R	28.9	Very low	31.6	Very low	249 Å²	249	139.3 Å²	139.3	94%	0.94	75%	0.747	S	S	*	*			trans	-161.6	29.6	149.8	-119.5	168.6	-175.7	170.8	2	118.1	Q392	R390-Q392 PolarHBondContact O-N 3.13Å
391	E	28.4	Very low	31.9	Very low	149 Å²	149	141 Å²	141	70%	0.696	74%	0.735	S	S	*	*			trans	-70.7	105.6	156.5	-91	-144.7	98.2	0	0	110.1	K395	E391-K395 VanDerWaalsContact OE1-CE 3.27Å; E391-K395 WeakPolarHBondContact OE1-CE 3.41Å; E391-K395 IonicContact OE1-NZ 3.52Å; E391-K395 PolarHBondContact OE1-NZ 3.05Å
392	Q	28.3	Very low	32.5	Very low	194 Å²	194	143.5 Å²	143.5	91%	0.907	72%	0.724	S	S	*	*			trans	170.2	100.8	149	-96.7	160.2	13.1	0	0	110.4	R390	R390-Q392 PolarHBondContact O-N 3.13Å
393	S	31	Very low	33	Very low	107 Å²	107	142.3 Å²	142.3	75%	0.748	72%	0.721	S	S	*	*	S	Bend	trans	-168	-47.7	161.5	-177	0	0	0	0	113.3
394	N	32.4	Very low	33.4	Very low	140 Å²	140	141.3 Å²	141.3	75%	0.749	71%	0.712	S	S	*	*			trans	-106.1	30.6	-158.5	-66.3	4.1	0	0	0	116
395	K	33.4	Very low	33.9	Very low	160 Å²	160	142.2 Å²	142.2	70%	0.696	71%	0.711	S	S	*	*			trans	-84.4	-3	-175.2	-73.6	-174.6	177.4	175.6	0	119.4	E391	E391-K395 VanDerWaalsContact OE1-CE 3.27Å; E391-K395 WeakPolarHBondContact OE1-CE 3.41Å; E391-K395 IonicContact OE1-NZ 3.52Å; E391-K395 PolarHBondContact OE1-NZ 3.05Å
396	P	31.7	Very low	33.9	Very low	90 Å²	90	141.7 Å²	141.7	58%	0.584	71%	0.709	S	S	*	*	S	Bend	trans	-96	-4.6	-175.8	36.9	-35.7	0	0	0	117
397	I	38	Very low	34.3	Very low	128 Å²	128	143.6 Å²	143.6	66%	0.656	71%	0.712	S	S	*	*	S	Bend	trans	-94.5	-35.9	-175.9	-63.9	176.4	0	0	0	112.3	S399 I400	I397-S399 VanDerWaalsContact C-N 3.31Å; I397-S399 PolarHBondContact O-N 3.29Å; I397-I400 PolarHBondContact O-N 3.03Å
398	L	35.9	Very low	34.3	Very low	123 Å²	123	142.9 Å²	142.9	64%	0.644	71%	0.709	S	S	*	*	H	α-helix	trans	-71.1	-22.4	-171	-163.2	65.3	0	0	0	114
399	S	36.1	Very low	34.4	Very low	76 Å²	76	146.1 Å²	146.1	53%	0.531	72%	0.719	S	S	.	*	H	α-helix	trans	-72.9	-28.1	177.4	49.7	0	0	0	0	113.6	I397	I397-S399 VanDerWaalsContact C-N 3.31Å; I397-S399 PolarHBondContact O-N 3.29Å
400	I	40.7	Very low	34.6	Very low	121 Å²	121	144.1 Å²	144.1	62%	0.621	72%	0.718	S	S	*	*	H	α-helix	trans	-73.7	-32	-177.4	-59.4	176.7	0	0	0	110.8	I397	I397-I400 PolarHBondContact O-N 3.03Å
401	M	37	Very low	34.5	Very low	115 Å²	115	139.5 Å²	139.5	57%	0.567	71%	0.712	S	S	*	*	H	α-helix	trans	-71.4	-41.2	177.9	-63.4	178.3	68.5	0	0	112.1	H403 H404	M401-H403 PolarHBondContact O-N 3.47Å; M401-H404 PolarHBondContact O-N 2.84Å
402	K	41.9	Very low	34.6	Very low	128 Å²	128	139.7 Å²	139.7	56%	0.557	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-12.9	-175.5	-76.5	-153.1	165.6	-151	0	115.6	E135	E135-K402 IonicContact OE1-NZ 2.81Å; E135-K402 PolarHBondContact OE1-NZ 3.23Å
403	H	38.7	Very low	34.4	Very low	168 Å²	168	135.9 Å²	135.9	78%	0.778	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-5.6	179.7	-118.8	-54.3	0	0	0	115	M401	M401-H403 PolarHBondContact O-N 3.47Å
404	H	41.6	Very low	34.4	Very low	122 Å²	122	139.1 Å²	139.1	57%	0.565	72%	0.717	S	S	*	*	S	Bend	trans	-114.4	-9.5	-167.7	-97.2	-65.6	0	0	0	117	Y189 M401	Y189-H404 PolarHBondContact OH-CE1 3.22Å; Y189-H404 PolarHBondContact OH-ND1 2.89Å; M401-H404 PolarHBondContact O-N 2.84Å
405	E	38	Very low	34.1	Very low	165 Å²	165	138.7 Å²	138.7	77%	0.771	71%	0.714	S	S	*	*	S	Bend	trans	-91.3	-15.8	-177.4	-68.4	-176.3	123.3	0	0	114.4	H407	E405-H407 PolarHBondContact O-N 3.06Å
406	L	34.3	Very low	33.9	Very low	155 Å²	155	136.8 Å²	136.8	81%	0.812	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	13.5	-172	-90.9	166	0	0	0	116.3
407	H	34.5	Very low	33.6	Very low	181 Å²	181	137 Å²	137	84%	0.838	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138	10.6	-167.1	-113.8	-67.2	0	0	0	117.1	E405	E405-H407 PolarHBondContact O-N 3.06Å
408	L	34.3	Very low	33	Very low	140 Å²	140	138.4 Å²	138.4	73%	0.733	73%	0.73	S	S	*	*			trans	-121.5	6.4	-178.1	-92.5	162.3	0	0	0	116	N410	L408-N410 PolarHBondContact O-N 3.46Å; L408-N410 VanDerWaalsContact O-N 3.12Å
409	N	28.8	Very low	32.7	Very low	163 Å²	163	137 Å²	137	87%	0.872	74%	0.735	S	S	*	*			trans	-77.6	88.6	162.3	-79.5	-3	0	0	0	109.7
410	N	32.5	Very low	32.1	Very low	153 Å²	153	138.7 Å²	138.7	82%	0.818	74%	0.743	S	S	*	*			trans	-164.1	130.5	153.8	-99.2	-26.3	0	0	0	111.7	L408	L408-N410 PolarHBondContact O-N 3.46Å; L408-N410 VanDerWaalsContact O-N 3.12Å
411	D	26.9	Very low	31.5	Very low	152 Å²	152	139.2 Å²	139.2	81%	0.813	75%	0.751	S	S	*	*			trans	-39	126.5	-178.9	-55.9	-51.8	0	0	0	117.5
412	I	31.2	Very low	30.9	Very low	153 Å²	153	142.3 Å²	142.3	79%	0.785	76%	0.762	S	S	*	*			trans	-134	94.6	141.3	-56	-177.7	0	0	0	108.7	M414	I412-M414 HydrophobicContact CG2-CG 4.29Å
413	S	24.5	Very low	30.4	Very low	114 Å²	114	144 Å²	144	80%	0.797	78%	0.775	S	S	*	*			trans	-81	130.1	162.8	59.8	0	0	0	0	109.7
414	M	30.1	Very low	29.9	Very low	175 Å²	175	142.1 Å²	142.1	86%	0.862	77%	0.771	S	S	*	*			trans	-129.7	105.4	166.3	-85.8	-163.4	166	0	0	110.4	I412	I412-M414 HydrophobicContact CG2-CG 4.29Å
415	N	25.7	Very low	29.2	Very low	130 Å²	130	147.2 Å²	147.2	70%	0.695	79%	0.785	S	S	*	*			trans	-108.9	111.6	175.4	173.3	10.9	0	0	0	109.4	S417	N415-S417 PolarHBondContact ND2-OG 3.19Å; N415-S417 WeakPolarHBondContact OD1-CB 3.31Å; N415-S417 PolarHBondContact OD1-N 3.32Å; N415-S417 VanDerWaalsContact OD1-N 3.12Å; N415-S417 PolarHBondContact OD1-OG 3.39Å
416	P	29.9	Very low	28.7	Very low	120 Å²	120	145.2 Å²	145.2	78%	0.779	79%	0.786	S	S	*	*			trans	-100.3	47.9	177.3	38.2	-33.3	0	0	0	112.9	L418	P416-L418 PolarHBondContact O-N 3.03Å
417	S	25.4	Very low	28.3	Very low	94 Å²	94	147.2 Å²	147.2	66%	0.657	79%	0.789	S	S	*	*			trans	-78	43.2	173.3	62.6	0	0	0	0	113.7	N415	N415-S417 PolarHBondContact ND2-OG 3.19Å; N415-S417 WeakPolarHBondContact OD1-CB 3.31Å; N415-S417 PolarHBondContact OD1-N 3.32Å; N415-S417 VanDerWaalsContact OD1-N 3.12Å; N415-S417 PolarHBondContact OD1-OG 3.39Å
418	L	25.4	Very low	28.1	Very low	158 Å²	158	144.9 Å²	144.9	83%	0.827	79%	0.787	S	S	*	*			trans	-156.3	98.9	175.3	-151.7	74.9	0	0	0	114	P416	P416-L418 PolarHBondContact O-N 3.03Å
419	A	28.6	Very low	27.8	Very low	93 Å²	93	144.4 Å²	144.4	77%	0.769	79%	0.79	S	S	*	*			trans	-148.3	36.9	172.2	0	0	0	0	0	112.8	V421	A419-V421 PolarHBondContact O-N 3.28Å
420	T	24.9	Very low	27.7	Very low	113 Å²	113	143.9 Å²	143.9	69%	0.693	79%	0.786	S	S	*	*			trans	-80.3	87	-172.8	-44.4	0	0	0	0	112.7	K422	T420-K422 HydrophobicContact CG2-CG 4.34Å; T420-K422 PolarHBondContact O-N 3.34Å
421	V	27.2	Very low	27.5	Very low	131 Å²	131	142.5 Å²	142.5	79%	0.794	78%	0.779	S	S	*	*			trans	-71.6	98.7	171.2	-178.5	0	0	0	0	109.9	A419	A419-V421 PolarHBondContact O-N 3.28Å
422	K	24.6	Very low	28	Very low	181 Å²	181	143.1 Å²	143.1	79%	0.787	78%	0.782	S	S	*	*			trans	-79	124.3	175.5	-71.3	174	176.3	170.6	0	110.9	T420	T420-K422 HydrophobicContact CG2-CG 4.34Å; T420-K422 PolarHBondContact O-N 3.34Å
423	I	31.7	Very low	28	Very low	162 Å²	162	140 Å²	140	83%	0.831	78%	0.779	S	S	*	*			trans	-116.3	108.3	161.5	-59.1	-174.6	0	0	0	110
424	N	27.6	Very low	28.2	Very low	129 Å²	129	141.6 Å²	141.6	69%	0.69	78%	0.779	S	S	*	*			trans	-28.1	141.1	179.4	-80.9	-49.7	0	0	0	122.5
425	R	27.3	Very low	28.3	Very low	229 Å²	229	139.9 Å²	139.9	86%	0.864	77%	0.772	S	S	*	*			trans	75.5	157.8	140.9	-67.2	167.9	-174.5	-167.9	0.7	119.4
426	P	26.6	Very low	28.5	Very low	123 Å²	123	139.5 Å²	139.5	80%	0.799	78%	0.777	S	S	*	*			cis	-121.6	-173	-15.5	37.1	-20.7	0	0	0	113.7
427	K	27.3	Very low	28.5	Very low	197 Å²	197	142.4 Å²	142.4	86%	0.857	78%	0.778	S	S	*	*			trans	-109.3	134.1	170.1	-59.3	173	177	179.7	0	110
428	T	30.6	Very low	28.6	Very low	133 Å²	133	147.2 Å²	147.2	82%	0.816	79%	0.786	S	S	*	*			trans	-179.3	113.9	144.7	26.3	0	0	0	0	113.1
429	V	27.2	Very low	28.6	Very low	129 Å²	129	144.9 Å²	144.9	78%	0.782	78%	0.775	S	S	*	*				42.9	117.4	127.9	-177	0	0	0	0	120.7
430	L	26.5	Very low	28.6	Very low	152 Å²	152	147.1 Å²	147.1	80%	0.796	78%	0.779	S	S	*	*			trans	65.6	131.7	147.8	-142.3	73.8	0	0	0	118.4
431	D	28.9	Very low	28.7	Very low	125 Å²	125	149.6 Å²	149.6	67%	0.668	78%	0.782	S	S	*	*			cis	-139.5	159.8	-12	-126	-28.1	0	0	0	110.1	A433	D431-A433 PolarHBondContact O-N 3.26Å
432	N	36.1	Very low	28.6	Very low	164 Å²	164	154.2 Å²	154.2	88%	0.877	79%	0.785	S	S	*	*			trans	-76.5	119	-149.1	-61	-56.5	0	0	0	117.3
433	A	31.1	Very low	28.7	Very low	87 Å²	87	151.2 Å²	151.2	72%	0.719	78%	0.782	S	S	*	*			trans	-147.4	146.3	171.4	0	0	0	0	0	115.4	D431	D431-A433 PolarHBondContact O-N 3.26Å
434	N	30.2	Very low	28.4	Very low	149 Å²	149	148 Å²	148	80%	0.797	77%	0.773	S	S	*	*			trans	63	97.1	153.1	-65.5	-27.7	0	0	0	123
435	L	32.7	Very low	28.4	Very low	138 Å²	138	148.6 Å²	148.6	72%	0.723	78%	0.776	S	S	*	*			trans	67.1	178.2	137.6	-112.9	74.5	0	0	0	117.1	K437	L435-K437 HydrophobicContact CD2-CD 4.45Å; L435-K437 HydrophobicContact CD2-CG 4.18Å
436	P	29.2	Very low	28.2	Very low	123 Å²	123	142.6 Å²	142.6	80%	0.799	77%	0.769	S	S	*	*			cis	-118.9	167.8	21.6	40.7	-26.2	0	0	0	118.1
437	K	28.8	Very low	28.4	Very low	181 Å²	181	146.1 Å²	146.1	79%	0.787	77%	0.772	S	S	*	*			trans	-76.3	143.9	173.5	-56.4	159.3	178.7	170.8	0	111.6	L435	L435-K437 HydrophobicContact CD2-CD 4.45Å; L435-K437 HydrophobicContact CD2-CG 4.18Å
438	K	27.8	Very low	28.5	Very low	194 Å²	194	142.4 Å²	142.4	84%	0.843	77%	0.766	S	S	*	*			trans	-174.7	147.1	152.9	-105.9	177.3	177.8	-176.2	0	108.5
439	L	26.9	Very low	28.3	Very low	110 Å²	110	140.5 Å²	140.5	58%	0.576	76%	0.764	S	S	*	*			cis	-152.5	103.9	-2.1	-150.6	166.2	0	0	0	110.5	H441	L439-H441 WeakPolarHBondContact CD2-CD2 3.44Å; L439-H441 WeakPolarHBondContact CD2-NE2 3.39Å
440	T	27.3	Very low	28.6	Very low	139 Å²	139	141.7 Å²	141.7	85%	0.853	77%	0.766	S	S	*	*			trans	-101.9	102	173.2	34.5	0	0	0	0	110.6	R442	T440-R442 VanDerWaalsContact C-N 3.33Å; T440-R442 PolarHBondContact O-N 3.39Å
441	H	26.9	Very low	28.7	Very low	165 Å²	165	141.8 Å²	141.8	76%	0.764	77%	0.767	S	S	*	*			trans	-74.9	83	176.4	-96.6	-63.6	0	0	0	111.9	L439	L439-H441 WeakPolarHBondContact CD2-CD2 3.44Å; L439-H441 WeakPolarHBondContact CD2-NE2 3.39Å
442	R	24.8	Very low	28.9	Very low	228 Å²	228	144.2 Å²	144.2	86%	0.86	77%	0.774	S	S	*	*			trans	-96.4	99	164.4	-147.7	-177.4	-163.9	-167.7	5	108.1	T440 S444	T440-R442 VanDerWaalsContact C-N 3.33Å; T440-R442 PolarHBondContact O-N 3.39Å; R442-S444 PolarHBondContact O-N 2.93Å; R442-S444 VanDerWaalsContact O-N 3.13Å
443	V	27.6	Very low	28.7	Very low	118 Å²	118	140.6 Å²	140.6	72%	0.715	76%	0.76	S	S	*	*			trans	-82.8	87.7	177.2	-178.2	0	0	0	0	109.2	L445	V443-L445 HydrophobicContact CG1-CG 4.24Å
444	S	26	Very low	28.8	Very low	94 Å²	94	143 Å²	143	66%	0.657	76%	0.76	S	S	*	*			trans	-96.4	100.1	168.1	52.1	0	0	0	0	109.5	R442 S446	R442-S444 PolarHBondContact O-N 2.93Å; R442-S444 VanDerWaalsContact O-N 3.13Å; S444-S446 PolarHBondContact O-N 3.49Å
445	L	26.7	Very low	28.9	Very low	143 Å²	143	141.3 Å²	141.3	75%	0.749	76%	0.76	S	S	*	*			trans	-79	104.4	174.6	-79.8	165.2	0	0	0	110.2	V443 F447	V443-L445 HydrophobicContact CG1-CG 4.24Å; L445-F447 HydrophobicContact CD2-CD2 4.32Å; L445-F447 HydrophobicContact CD2-CE2 3.89Å
446	S	23.8	Very low	28.7	Very low	102 Å²	102	140.9 Å²	140.9	71%	0.713	76%	0.763	S	S	*	*			trans	-125.7	94.4	169.4	58.4	0	0	0	0	109.4	S444	S444-S446 PolarHBondContact O-N 3.49Å
447	F	31.1	Very low	28.7	Very low	197 Å²	197	141.2 Å²	141.2	86%	0.864	76%	0.758	S	S	*	*			trans	-88.2	111.5	169.8	-86	-82.9	0	0	0	109.5	L445	L445-F447 HydrophobicContact CD2-CD2 4.32Å; L445-F447 HydrophobicContact CD2-CE2 3.89Å
448	T	29.1	Very low	28.7	Very low	120 Å²	120	138.7 Å²	138.7	74%	0.736	75%	0.749	S	S	*	*			trans	-73.2	128.4	174.2	43.8	0	0	0	0	110.6
449	A	26.5	Very low	28.7	Very low	93 Å²	93	138.8 Å²	138.8	77%	0.769	74%	0.744	S	S	*	*			trans	-72.5	126.8	166.8	0	0	0	0	0	109.8
450	N	32	Very low	28.7	Very low	154 Å²	154	139.7 Å²	139.7	82%	0.824	75%	0.748	S	S	*	*			trans	-118.4	119	165.6	-88.5	-6.7	0	0	0	108.3
451	N	30.5	Very low	29.1	Very low	153 Å²	153	140.4 Å²	140.4	82%	0.818	75%	0.747	S	S	*	*			trans	-79.6	146.1	170.8	-62.4	-31.8	0	0	0	109.8
452	H	32.4	Very low	29.2	Very low	177 Å²	177	140.5 Å²	140.5	82%	0.819	75%	0.747	S	S	*	*			trans	-149.8	128.3	138.3	-138.5	-71.3	0	0	0	110.3
453	P	32	Very low	29.5	Very low	88 Å²	88	137.5 Å²	137.5	57%	0.571	75%	0.748	S	S	*	*			trans	-94.1	-176.9	172.8	37.7	-34.3	0	0	0	112.3
454	D	32.3	Very low	29.7	Very low	136 Å²	136	137.9 Å²	137.9	73%	0.727	75%	0.746	S	S	*	*			trans	110.2	141.9	150.6	-58	-30.7	0	0	0	119.7
455	S	32.2	Very low	30	Very low	114 Å²	114	138.8 Å²	138.8	80%	0.797	75%	0.747	S	S	*	*			trans	61.4	127.8	175.6	58.2	0	0	0	0	117.6
456	V	29.2	Very low	30.2	Very low	130 Å²	130	137.3 Å²	137.3	79%	0.788	74%	0.744	S	S	*	*			cis	100.4	125.6	23.1	178.5	0	0	0	0	114.3
457	D	28.1	Very low	30.5	Very low	129 Å²	129	141 Å²	141	69%	0.69	75%	0.75	S	S	*	*			trans	95.8	118.1	152.6	-98.4	-11.4	0	0	0	125.2
458	H	29.2	Very low	30.5	Very low	128 Å²	128	137.3 Å²	137.3	59%	0.593	75%	0.749	S	S	*	*				74.9	132.1	124.3	-92.2	3.7	0	0	0	125.4
459	R	28.2	Very low	30.4	Very low	196 Å²	196	137.1 Å²	137.1	74%	0.74	75%	0.753	S	S	*	*			trans	76.4	122.5	142.8	-67.6	171	-169.2	-128.5	2.5	116.9
460	I	27.7	Very low	30.8	Very low	130 Å²	130	139 Å²	139	67%	0.667	76%	0.757	S	S	*	*				74.5	111.6	66.1	-67.5	173.1	0	0	0	111.9	Q462	I460-Q462 HydrophobicContact CG2-CG 4.38Å
461	D	34.4	Very low	30.6	Very low	153 Å²	153	135.5 Å²	135.5	82%	0.818	76%	0.758	S	S	*	*			trans	-162	132.2	132.4	-82	-32.8	0	0	0	105
462	Q	29.7	Very low	30.2	Very low	167 Å²	167	139.7 Å²	139.7	78%	0.78	76%	0.762	S	S	*	*			cis	75	88.9	37.3	-67.7	-150	20.5	0	0	116	I460	I460-Q462 HydrophobicContact CG2-CG 4.38Å
463	L	31.1	Very low	30	Very low	166 Å²	166	141.4 Å²	141.4	87%	0.869	77%	0.767	S	S	*	*			trans	-158.5	148.3	148	-90.4	119.6	0	0	0	109.1
464	D	32.4	Very low	29.6	Very low	125 Å²	125	142.9 Å²	142.9	67%	0.668	78%	0.78	S	S	*	*			cis	-164.7	153.2	-37.9	-146.6	-17.2	0	0	0	110.5
465	T	31.1	Very low	29.4	Very low	113 Å²	113	139.7 Å²	139.7	69%	0.693	78%	0.78	S	S	*	*			trans	55.7	152.6	160.2	62.8	0	0	0	0	120.6
466	T	31.6	Very low	29.1	Very low	112 Å²	112	140 Å²	140	69%	0.687	78%	0.78	S	S	*	*			cis	-156.4	137.4	-15.5	15.8	0	0	0	0	111.5
467	Q	28.9	Very low	29.1	Very low	179 Å²	179	140.1 Å²	140.1	84%	0.836	78%	0.775	S	S	*	*			trans	59.4	138.9	141.3	-65.7	-179.6	8.7	0	0	124.3
468	S	32.1	Very low	29.2	Very low	121 Å²	121	141.6 Å²	141.6	85%	0.846	78%	0.778	S	S	*	*			trans	97.1	128.7	149.7	78.4	0	0	0	0	119.6
469	S	26.1	Very low	29.3	Very low	116 Å²	116	141.1 Å²	141.1	81%	0.811	77%	0.774	S	S	*	*			trans	-139.2	176	178.1	1.7	0	0	0	0	107.6
470	P	34.7	Very low	29.4	Very low	132 Å²	132	139.8 Å²	139.8	86%	0.857	78%	0.776	S	S	*	*			cis	-125.4	151	-9	36.4	-21.5	0	0	0	113.5
471	G	29.1	Very low	29.5	Very low	81 Å²	81	137 Å²	137	84%	0.835	77%	0.773	S	S	*	*			trans	-143.2	124.7	176.2	0	0	0	0	0	112.6
472	R	22.5	Very low	29.2	Very low	240 Å²	240	140.8 Å²	140.8	91%	0.906	78%	0.777	S	S	*	*			trans	-108.7	107.3	-177.5	176.7	-162.3	-162.9	176.3	6.4	109.7
473	F	26.6	Very low	29.2	Very low	213 Å²	213	137.1 Å²	137.1	93%	0.934	77%	0.766	S	S	*	*			trans	-161.7	167.2	151.6	-110.4	-71.6	0	0	0	111.7
474	S	24.6	Very low	29	Very low	119 Å²	119	137.8 Å²	137.8	83%	0.832	76%	0.762	S	S	*	*			trans	-96.7	147	-174	-168.9	0	0	0	0	112
475	G	28.6	Very low	28.8	Very low	70 Å²	70	138.8 Å²	138.8	72%	0.722	77%	0.767	S	S	*	*			trans	-174.7	129.2	173	0	0	0	0	0	111.8
476	C	25.3	Very low	28.7	Very low	120 Å²	120	140.2 Å²	140.2	81%	0.811	78%	0.775	S	S	*	*			trans	-106.3	-164.8	171.8	-67.8	0	0	0	0	109.8
477	I	29.2	Very low	28.6	Very low	133 Å²	133	141.9 Å²	141.9	68%	0.682	78%	0.78	S	S	*	*			trans	81.8	136.2	173	-50.1	164.2	0	0	0	111.8
478	E	30.3	Very low	28.7	Very low	159 Å²	159	143.3 Å²	143.3	74%	0.743	78%	0.784	S	S	*	*			cis	-131.7	152.7	-4.1	-130.9	127.9	-148.1	0	0	107.2
479	K	30.1	Very low	28.6	Very low	118 Å²	118	142 Å²	142	51%	0.513	77%	0.772	S	S	.	*			cis	76.5	153.6	40.7	-130.1	-166.8	-176.6	-163.3	0	114.3
480	E	31.6	Very low	28.6	Very low	168 Å²	168	140.6 Å²	140.6	79%	0.785	77%	0.768	S	S	*	*			trans	75	152.6	169.9	-48.9	-132.1	139.4	0	0	118.3
481	A	29.4	Very low	28.6	Very low	73 Å²	73	146.3 Å²	146.3	60%	0.603	77%	0.772	S	S	*	*			cis	-168.3	149.6	-31.5	0	0	0	0	0	110.3
482	Y	28.1	Very low	29.1	Very low	232 Å²	232	148.1 Å²	148.1	91%	0.91	76%	0.759	S	S	*	*			trans	-153.7	151.5	136.2	-140.3	-100.1	0	0	0	112.4
483	V	29.6	Very low	29.9	Very low	90 Å²	90	139.9 Å²	139.9	55%	0.545	74%	0.738	S	S	.	*			trans	-144.4	165.7	-156.4	163.9	0	0	0	0	111.1
484	K	27.7	Very low	30.5	Very low	180 Å²	180	135.8 Å²	135.8	78%	0.783	73%	0.725	S	S	*	*			trans	93.1	149	157.5	-97.8	153.5	-173.2	168.4	0	120.4
485	N	26.6	Very low	31.4	Very low	145 Å²	145	133.6 Å²	133.6	78%	0.775	71%	0.71	S	S	*	*			trans	74.7	83.9	155.2	-59.2	-11.1	0	0	0	120.5
486	V	30.3	Very low	32.4	Very low	143 Å²	143	133.3 Å²	133.3	87%	0.867	69%	0.69	S	S	*	*			trans	-136.8	137.7	137.1	-171.9	0	0	0	0	109.5
487	N	29.5	Very low	33.3	Very low	148 Å²	148	132 Å²	132	79%	0.791	67%	0.674	S	S	*	*			trans	-76.1	167.4	178.7	-70.9	-58.5	0	0	0	112.8	P489	N487-P489 WeakPolarHBondContact O-CD 3.27Å; N487-P489 VanDerWaalsContact O-N 3.13Å
488	K	29.7	Very low	34.1	Very low	209 Å²	209	130.9 Å²	130.9	91%	0.909	66%	0.664	S	S	*	*			trans	-45.9	114.2	171.2	-76.6	179.9	175.8	173.8	0	112.1
489	P	30.4	Very low	34.7	Very low	93 Å²	93	129 Å²	129	60%	0.604	65%	0.65	S	S	*	*			trans	-77.7	157.1	168.6	-11.8	30.2	0	0	0	110.9	N487	N487-P489 WeakPolarHBondContact O-CD 3.27Å; N487-P489 VanDerWaalsContact O-N 3.13Å
490	A	27.4	Very low	35.4	Very low	86 Å²	86	128.6 Å²	128.6	71%	0.711	65%	0.65	S	S	*	*			trans	-76.3	176.2	173.9	0	0	0	0	0	111.8	H492	A490-H492 PolarHBondContact O-CD2 3.4Å; A490-H492 PolarHBondContact O-N 3.03Å
491	R	34.9	Very low	36.2	Very low	252 Å²	252	125.2 Å²	125.2	95%	0.951	64%	0.641	S	S	*	*			trans	-61.2	106.6	166.2	-71.8	178.5	173.9	-176.6	-4.6	109.2	S493	R491-S493 PolarHBondContact O-N 3.21Å
492	H	38.5	Very low	37	Very low	120 Å²	120	125.5 Å²	125.5	56%	0.556	64%	0.635	S	S	*	*			trans	-63.3	125.4	169	-75.8	-103.5	0	0	0	109.1	A490 E496	A490-H492 PolarHBondContact O-CD2 3.4Å; A490-H492 PolarHBondContact O-N 3.03Å; H492-E496 HydrophobicContact CB-CB 4.24Å
493	S	38.6	Very low	37.7	Very low	66 Å²	66	118.6 Å²	118.6	46%	0.462	61%	0.611	S	S	.	*			trans	-65.9	154	168.8	171.9	0	0	0	0	109.6	R491 S495 E496	R491-S493 PolarHBondContact O-N 3.21Å; S493-S495 VanDerWaalsContact CB-OG 3.27Å; S493-S495 WeakPolarHBondContact CB-OG 3.21Å; S493-S495 PolarHBondContact O-N 3.35Å; S493-S495 VanDerWaalsContact O-N 3.08Å; S493-S495 PolarHBondContact OG-N 3.47Å; S493-S495 PolarHBondContact OG-OG 3.23Å; S493-E496 WeakPolarHBondContact O-CB 3.4Å; S493-E496 PolarHBondContact O-N 3.04Å
494	L	40.8	Very low	38.1	Very low	128 Å²	128	121.1 Å²	121.1	67%	0.67	62%	0.622	S	S	*	*	H	α-helix	trans	-49.9	-33.3	168.1	-99	162.1	0	0	0	111.9	E496 L497 F498	L494-E496 VanDerWaalsContact C-N 3.32Å; L494-E496 PolarHBondContact O-N 3.01Å; L494-L497 PolarHBondContact O-N 2.93Å; L494-F498 HydrophobicContact CD2-CD2 4.38Å; L494-F498 HydrophobicContact CD2-CE2 4.05Å; L494-F498 WeakPolarHBondContact O-CB 3.38Å; L494-F498 VanDerWaalsContact O-CD2 3.26Å; L494-F498 WeakPolarHBondContact O-CD2 3.44Å; L494-F498 PolarHBondContact O-N 3.16Å
495	S	43.8	Very low	38.9	Very low	73 Å²	73	117.9 Å²	117.9	51%	0.51	62%	0.617	S	S	.	*	H	α-helix	trans	-62.9	-30.8	176	60.9	0	0	0	0	114.4	S493 R499	S493-S495 VanDerWaalsContact CB-OG 3.27Å; S493-S495 WeakPolarHBondContact CB-OG 3.21Å; S493-S495 PolarHBondContact O-N 3.35Å; S493-S495 VanDerWaalsContact O-N 3.08Å; S493-S495 PolarHBondContact OG-N 3.47Å; S493-S495 PolarHBondContact OG-OG 3.23Å; S495-R499 VanDerWaalsContact O-CB 3.29Å; S495-R499 WeakPolarHBondContact O-CB 3.39Å; S495-R499 PolarHBondContact O-N 3.43Å
496	E	48.2	Very low	39.3	Very low	64 Å²	64	120.5 Å²	120.5	30%	0.299	62%	0.616	S	S	.	*	H	α-helix	trans	-73.2	-45.4	176.3	-79.4	-70.7	92.5	0	0	111	H492 S493 L494 F498 R499 E500	H492-E496 HydrophobicContact CB-CB 4.24Å; S493-E496 WeakPolarHBondContact O-CB 3.4Å; S493-E496 PolarHBondContact O-N 3.04Å; L494-E496 VanDerWaalsContact C-N 3.32Å; L494-E496 PolarHBondContact O-N 3.01Å; E496-F498 VanDerWaalsContact C-N 3.34Å; E496-F498 PolarHBondContact O-N 3.45Å; E496-R499 WeakPolarHBondContact O-CB 3.33Å; E496-R499 PolarHBondContact O-N 3.14Å; E496-R499 VanDerWaalsContact O-N 3.1Å; E496-R499 IonicContact OE1-CZ 3.26Å; E496-R499 VanDerWaalsContact OE1-CZ 3.26Å; E496-R499 IonicContact OE1-NE 3.89Å; E496-R499 PolarHBondContact OE1-NE 3.24Å; E496-R499 IonicContact OE1-NH2 2.91Å; E496-R499 PolarHBondContact OE1-NH2 3.35Å; E496-R499 IonicContact OE2-CZ 3.81Å; E496-R499 IonicContact OE2-NH2 2.81Å; E496-R499 PolarHBondContact OE2-NH2 3.27Å; E496-E500 PolarHBondContact O-N 3.45Å
497	L	44.5	Very low	39.6	Very low	91 Å²	91	118.2 Å²	118.2	48%	0.476	60%	0.599	S	S	.	*	H	α-helix	trans	-65.2	-39.5	178.6	-152.9	80.2	0	0	0	111.4	L494 R499 E500 V501	L494-L497 PolarHBondContact O-N 2.93Å; L497-R499 VanDerWaalsContact C-N 3.35Å; L497-E500 PolarHBondContact O-N 3.38Å; L497-V501 WeakPolarHBondContact O-CG2 3.43Å; L497-V501 PolarHBondContact O-N 3.16Å
498	F	46.9	Very low	40.1	Very low	110 Å²	110	116.9 Å²	116.9	48%	0.482	60%	0.598	S	S	.	*	H	α-helix	trans	-62.5	-39.5	170.8	-86.9	-61.1	0	0	0	112.4	L494 E496 T502	L494-F498 HydrophobicContact CD2-CD2 4.38Å; L494-F498 HydrophobicContact CD2-CE2 4.05Å; L494-F498 WeakPolarHBondContact O-CB 3.38Å; L494-F498 VanDerWaalsContact O-CD2 3.26Å; L494-F498 WeakPolarHBondContact O-CD2 3.44Å; L494-F498 PolarHBondContact O-N 3.16Å; E496-F498 VanDerWaalsContact C-N 3.34Å; E496-F498 PolarHBondContact O-N 3.45Å; F498-T502 VanDerWaalsContact O-CB 3.31Å; F498-T502 WeakPolarHBondContact O-CB 3.47Å; F498-T502 PolarHBondContact O-N 3.27Å; F498-T502 PolarHBondContact O-OG1 3.43Å
499	R	42.8	Very low	40.6	Very low	121 Å²	121	113.4 Å²	113.4	46%	0.457	59%	0.59	S	S	.	*	H	α-helix	trans	-62.8	-44.5	176.2	-178.4	172.2	69.4	90.2	-9.1	111.1	S495 E496 L497 T502 Q503	S495-R499 VanDerWaalsContact O-CB 3.29Å; S495-R499 WeakPolarHBondContact O-CB 3.39Å; S495-R499 PolarHBondContact O-N 3.43Å; E496-R499 WeakPolarHBondContact O-CB 3.33Å; E496-R499 PolarHBondContact O-N 3.14Å; E496-R499 VanDerWaalsContact O-N 3.1Å; E496-R499 IonicContact OE1-CZ 3.26Å; E496-R499 VanDerWaalsContact OE1-CZ 3.26Å; E496-R499 IonicContact OE1-NE 3.89Å; E496-R499 PolarHBondContact OE1-NE 3.24Å; E496-R499 IonicContact OE1-NH2 2.91Å; E496-R499 PolarHBondContact OE1-NH2 3.35Å; E496-R499 IonicContact OE2-CZ 3.81Å; E496-R499 IonicContact OE2-NH2 2.81Å; E496-R499 PolarHBondContact OE2-NH2 3.27Å; L497-R499 VanDerWaalsContact C-N 3.35Å; R499-T502 CarbonylContact O-C 3.56Å; R499-T502 PolarHBondContact O-N 3.29Å; R499-Q503 HydrophobicContact CG-CG 4.42Å; R499-Q503 WeakPolarHBondContact O-CB 3.47Å; R499-Q503 VanDerWaalsContact O-CG 3.31Å; R499-Q503 WeakPolarHBondContact O-CG 3.36Å; R499-Q503 PolarHBondContact O-N 3.24Å
500	E	43.9	Very low	41.1	Very low	108 Å²	108	114.8 Å²	114.8	51%	0.505	59%	0.592	S	S	.	*	H	α-helix	trans	-65	-46.6	-179.3	-166.9	163.4	-141.1	0	0	112.3	E496 L497 T502 Q503 N504	E496-E500 PolarHBondContact O-N 3.45Å; L497-E500 PolarHBondContact O-N 3.38Å; E500-T502 PolarHBondContact O-N 3.31Å; E500-Q503 PolarHBondContact O-N 3.49Å; E500-N504 PolarHBondContact O-N 3.38Å; E500-N504 VanDerWaalsContact O-N 3.08Å
501	V	49	Very low	41.1	Very low	97 Å²	97	116.5 Å²	116.5	59%	0.588	60%	0.598	S	S	*	*	H	α-helix	trans	-60.8	-33.5	172.4	173.1	0	0	0	0	112	L497	L497-V501 WeakPolarHBondContact O-CG2 3.43Å; L497-V501 PolarHBondContact O-N 3.16Å
502	T	45.9	Very low	40.9	Very low	80 Å²	80	113.8 Å²	113.8	49%	0.491	59%	0.593	S	S	.	*	H	α-helix	trans	-81.3	-13	176.4	-49.7	0	0	0	0	113.1	F498 R499 E500 T505	F498-T502 VanDerWaalsContact O-CB 3.31Å; F498-T502 WeakPolarHBondContact O-CB 3.47Å; F498-T502 PolarHBondContact O-N 3.27Å; F498-T502 PolarHBondContact O-OG1 3.43Å; R499-T502 CarbonylContact O-C 3.56Å; R499-T502 PolarHBondContact O-N 3.29Å; E500-T502 PolarHBondContact O-N 3.31Å; T502-T505 PolarHBondContact O-OG1 3.38Å
503	Q	42.5	Very low	40.5	Very low	87 Å²	87	113.4 Å²	113.4	41%	0.407	60%	0.604	S	S	.	*	H	α-helix	trans	-93.1	-32.2	176.7	-77.6	-175.6	-61	0	0	112.4	R499 E500 T505 R506	R499-Q503 HydrophobicContact CG-CG 4.42Å; R499-Q503 WeakPolarHBondContact O-CB 3.47Å; R499-Q503 VanDerWaalsContact O-CG 3.31Å; R499-Q503 WeakPolarHBondContact O-CG 3.36Å; R499-Q503 PolarHBondContact O-N 3.24Å; E500-Q503 PolarHBondContact O-N 3.49Å; Q503-T505 PolarHBondContact O-N 3.12Å; Q503-R506 WeakPolarHBondContact O-CB 3.38Å; Q503-R506 PolarHBondContact O-N 2.96Å; Q503-R506 VanDerWaalsContact O-N 3.1Å
504	N	38.8	Very low	40.5	Very low	143 Å²	143	115.4 Å²	115.4	77%	0.765	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-9	177.5	-77.5	-9.8	0	0	0	114.7	E500 R506	E500-N504 PolarHBondContact O-N 3.38Å; E500-N504 VanDerWaalsContact O-N 3.08Å; N504-R506 VanDerWaalsContact C-N 3.31Å
505	T	43.3	Very low	40.4	Very low	112 Å²	112	119 Å²	119	69%	0.687	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	2	168.5	50.6	0	0	0	0	113.4	T502 Q503 N507	T502-T505 PolarHBondContact O-OG1 3.38Å; Q503-T505 PolarHBondContact O-N 3.12Å; T505-N507 VanDerWaalsContact C-N 3.32Å; T505-N507 PolarHBondContact O-N 3.03Å; T505-N507 VanDerWaalsContact O-N 3.14Å
506	R	35.8	Very low	40.4	Very low	199 Å²	199	118.6 Å²	118.6	75%	0.751	62%	0.622	S	S	*	*			trans	-91.1	50.9	-170.5	-154.3	-178.9	-160	178.5	6.6	113.7	Q503 N504	Q503-R506 WeakPolarHBondContact O-CB 3.38Å; Q503-R506 PolarHBondContact O-N 2.96Å; Q503-R506 VanDerWaalsContact O-N 3.1Å; N504-R506 VanDerWaalsContact C-N 3.31Å
507	N	36.8	Very low	40.3	Very low	95 Å²	95	118.4 Å²	118.4	51%	0.508	63%	0.627	S	S	.	*			trans	-69	118.6	171.1	-173	28.2	0	0	0	109.4	T505 N509 D510	T505-N507 VanDerWaalsContact C-N 3.32Å; T505-N507 PolarHBondContact O-N 3.03Å; T505-N507 VanDerWaalsContact O-N 3.14Å; N507-N509 PolarHBondContact O-N 3.28Å; N507-D510 PolarHBondContact ND2-OD2 2.97Å
508	P	40	Very low	39.9	Very low	120 Å²	120	121 Å²	121	78%	0.779	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	1.1	-165.3	28.1	-36.2	0	0	0	115.7
509	N	40.7	Very low	39.6	Very low	136 Å²	136	118.2 Å²	118.2	73%	0.727	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-12.3	-175.5	-64.3	-18	0	0	0	114.1	N507 C511	N507-N509 PolarHBondContact O-N 3.28Å; N509-C511 PolarHBondContact O-N 3.48Å
510	D	39.3	Very low	39.5	Very low	123 Å²	123	116.6 Å²	116.6	66%	0.658	64%	0.638	S	S	*	*			trans	-83	86.2	-175.7	-72.3	-58.4	0	0	0	111.8	N507 F512	N507-D510 PolarHBondContact ND2-OD2 2.97Å; D510-F512 VanDerWaalsContact C-N 3.35Å; D510-F512 PolarHBondContact O-N 3.5Å
511	C	27.8	Very low	39.4	Very low	122 Å²	122	117.7 Å²	117.7	82%	0.824	64%	0.638	S	S	*	*			trans	-75.7	73.7	-176.1	-175.3	0	0	0	0	113.3	N509	N509-C511 PolarHBondContact O-N 3.48Å
512	F	31.6	Very low	38.9	Very low	195 Å²	195	115.4 Å²	115.4	86%	0.855	63%	0.629	S	S	*	*			trans	-127.3	101.8	167.6	-122.3	-90.5	0	0	0	112.6	D510	D510-F512 VanDerWaalsContact C-N 3.35Å; D510-F512 PolarHBondContact O-N 3.5Å
513	S	28.4	Very low	38.9	Very low	112 Å²	112	117.8 Å²	117.8	78%	0.783	63%	0.634	S	S	*	*			trans	-90	103	-173.5	56.3	0	0	0	0	113.1
514	T	40	Very low	39.3	Very low	108 Å²	108	118.2 Å²	118.2	66%	0.663	64%	0.643	S	S	*	*			trans	-142.6	126.6	161.2	42.4	0	0	0	0	112	T516	T514-T516 PolarHBondContact O-N 3.21Å
515	E	37.7	Very low	40.1	Very low	202 Å²	202	113.1 Å²	113.1	94%	0.944	62%	0.619	S	S	*	*			trans	-73.7	87.7	171.1	-66.2	-171.6	124.8	0	0	110.3
516	T	45.1	Very low	40.8	Very low	66 Å²	66	111.6 Å²	111.6	41%	0.405	61%	0.612	S	S	.	*			trans	-71.9	130.5	171.3	41.1	0	0	0	0	111.2	T514 R521	T514-T516 PolarHBondContact O-N 3.21Å; T516-R521 PolarHBondContact O-NE 3.35Å; T516-R521 PolarHBondContact O-NH2 3.37Å; T516-R521 PolarHBondContact OG1-NE 2.99Å; T516-R521 PolarHBondContact OG1-NH2 2.99Å
517	S	44.5	Very low	42.1	Very low	60 Å²	60	108 Å²	108	42%	0.42	61%	0.606	S	S	.	*			trans	-61.9	152.1	-179.1	-178.3	0	0	0	0	111.4	A519 D520 R521	S517-A519 PolarHBondContact O-N 2.83Å; S517-A519 PolarHBondContact OG-N 2.89Å; S517-D520 WeakPolarHBondContact CB-OD2 3.39Å; S517-D520 PolarHBondContact N-OD2 2.76Å; S517-D520 PolarHBondContact O-N 2.85Å; S517-D520 VanDerWaalsContact O-N 3.1Å; S517-R521 WeakPolarHBondContact O-CG 3.09Å; S517-R521 PolarHBondContact O-N 2.86Å
518	L	37.9	Very low	43.1	Very low	146 Å²	146	105.9 Å²	105.9	76%	0.764	60%	0.602	S	S	*	*	H	α-helix	trans	-58.1	-31.6	171.2	-170.4	66	0	0	0	111.3	A522	L518-A522 PolarHBondContact O-N 2.84Å
519	A	39.2	Very low	44.3	Very low	51 Å²	51	104.1 Å²	104.1	42%	0.421	58%	0.582	S	S	.	*	H	α-helix	trans	-67.6	-45.4	173.4	0	0	0	0	0	112.2	S517 R521 A522 H523	S517-A519 PolarHBondContact O-N 2.83Å; S517-A519 PolarHBondContact OG-N 2.89Å; A519-R521 VanDerWaalsContact C-N 3.29Å; A519-R521 PolarHBondContact O-N 2.94Å; A519-A522 WeakPolarHBondContact O-CA 3.4Å; A519-A522 WeakPolarHBondContact O-CB 3.38Å; A519-A522 PolarHBondContact O-N 3.2Å; A519-H523 PolarHBondContact O-CD2 3.26Å; A519-H523 VanDerWaalsContact O-CD2 3.22Å; A519-H523 PolarHBondContact O-N 3.26Å
520	D	41.1	Very low	45.6	Very low	86 Å²	86	102.1 Å²	102.1	46%	0.46	57%	0.571	S	S	.	*	H	α-helix	trans	-60.3	-42.3	177.3	-57.7	-39.2	0	0	0	110.7	S517 A522 H523 V524	S517-D520 WeakPolarHBondContact CB-OD2 3.39Å; S517-D520 PolarHBondContact N-OD2 2.76Å; S517-D520 PolarHBondContact O-N 2.85Å; S517-D520 VanDerWaalsContact O-N 3.1Å; D520-A522 VanDerWaalsContact C-N 3.31Å; D520-A522 PolarHBondContact O-N 2.9Å; D520-H523 PolarHBondContact O-N 2.91Å; D520-V524 WeakPolarHBondContact O-CB 3.49Å; D520-V524 VanDerWaalsContact O-CG2 3.31Å; D520-V524 WeakPolarHBondContact O-CG2 3.49Å; D520-V524 PolarHBondContact O-N 3.02Å
521	R	41.6	Very low	46.8	Very low	131 Å²	131	102.2 Å²	102.2	49%	0.494	57%	0.567	S	S	.	*	H	α-helix	trans	-63	-35.9	174.9	-65.4	179.4	-169.2	178.5	7	112.2	T516 S517 A519 S525	T516-R521 PolarHBondContact O-NE 3.35Å; T516-R521 PolarHBondContact O-NH2 3.37Å; T516-R521 PolarHBondContact OG1-NE 2.99Å; T516-R521 PolarHBondContact OG1-NH2 2.99Å; S517-R521 WeakPolarHBondContact O-CG 3.09Å; S517-R521 PolarHBondContact O-N 2.86Å; A519-R521 VanDerWaalsContact C-N 3.29Å; A519-R521 PolarHBondContact O-N 2.94Å; R521-S525 WeakPolarHBondContact O-CB 3.41Å; R521-S525 PolarHBondContact O-N 3.48Å
522	A	39.3	Very low	48.6	Very low	49 Å²	49	101.2 Å²	101.2	41%	0.405	55%	0.547	S	S	.	.	H	α-helix	trans	-68.4	-43.9	173.7	0	0	0	0	0	112.3	L518 A519 D520 S525 C526	L518-A522 PolarHBondContact O-N 2.84Å; A519-A522 WeakPolarHBondContact O-CA 3.4Å; A519-A522 WeakPolarHBondContact O-CB 3.38Å; A519-A522 PolarHBondContact O-N 3.2Å; D520-A522 VanDerWaalsContact C-N 3.31Å; D520-A522 PolarHBondContact O-N 2.9Å; A522-S525 WeakPolarHBondContact O-CB 3.08Å; A522-S525 PolarHBondContact O-N 3.25Å; A522-S525 VanDerWaalsContact O-N 3.1Å; A522-S525 PolarHBondContact O-OG 3.24Å; A522-C526 PolarHBondContact O-N 2.88Å
523	H	45.6	Very low	50.1	Low	130 Å²	130	92.7 Å²	92.7	60%	0.602	51%	0.51	S	S	*	.	H	α-helix	trans	-63.6	-44.4	175.5	-77.9	-72.2	0	0	0	112.1	A519 D520 S525 C526 I527	A519-H523 PolarHBondContact O-CD2 3.26Å; A519-H523 VanDerWaalsContact O-CD2 3.22Å; A519-H523 PolarHBondContact O-N 3.26Å; D520-H523 PolarHBondContact O-N 2.91Å; H523-S525 VanDerWaalsContact C-N 3.28Å; H523-S525 PolarHBondContact O-N 3.42Å; H523-C526 PolarHBondContact O-N 2.96Å; H523-I527 WeakPolarHBondContact O-CG1 3.29Å; H523-I527 PolarHBondContact O-N 3.48Å; H523-I527 VanDerWaalsContact O-N 3.08Å
524	V	50.3	Low	52	Low	97 Å²	97	91.7 Å²	91.7	59%	0.588	50%	0.495	S	S	*	.	H	α-helix	trans	-58.5	-41.3	170.1	171.3	0	0	0	0	110.3	D520 C526 I527 A528	D520-V524 WeakPolarHBondContact O-CB 3.49Å; D520-V524 VanDerWaalsContact O-CG2 3.31Å; D520-V524 WeakPolarHBondContact O-CG2 3.49Å; D520-V524 PolarHBondContact O-N 3.02Å; V524-C526 PolarHBondContact O-N 3.14Å; V524-I527 PolarHBondContact O-N 3.3Å; V524-A528 WeakPolarHBondContact O-CA 3.4Å; V524-A528 WeakPolarHBondContact O-CB 3.35Å; V524-A528 PolarHBondContact O-N 3.36Å
525	S	56.4	Low	53	Low	36 Å²	36	89 Å²	89	25%	0.252	48%	0.48	S	S	.	.	H	α-helix	trans	-63.3	-40.5	178.2	82.5	0	0	0	0	113.1	R521 A522 H523 F529	R521-S525 WeakPolarHBondContact O-CB 3.41Å; R521-S525 PolarHBondContact O-N 3.48Å; A522-S525 WeakPolarHBondContact O-CB 3.08Å; A522-S525 PolarHBondContact O-N 3.25Å; A522-S525 VanDerWaalsContact O-N 3.1Å; A522-S525 PolarHBondContact O-OG 3.24Å; H523-S525 VanDerWaalsContact C-N 3.28Å; H523-S525 PolarHBondContact O-N 3.42Å; S525-F529 WeakPolarHBondContact O-CA 3.49Å; S525-F529 WeakPolarHBondContact O-CB 3.46Å; S525-F529 PolarHBondContact O-N 2.92Å
526	C	57	Low	54.1	Low	80 Å²	80	84 Å²	84	54%	0.541	45%	0.453	S	S	.	.	H	α-helix	trans	-69.2	-43	178.9	-70.4	0	0	0	0	111.9	A522 H523 V524 F529 L530	A522-C526 PolarHBondContact O-N 2.88Å; H523-C526 PolarHBondContact O-N 2.96Å; V524-C526 PolarHBondContact O-N 3.14Å; C526-F529 PolarHBondContact O-N 3.36Å; C526-L530 PolarHBondContact O-N 2.9Å
527	I	63.8	Low	54.6	Low	123 Å²	123	81.5 Å²	81.5	63%	0.631	44%	0.439	S	S	*	.	H	α-helix	trans	-70.3	-42.9	178.1	-64.5	173.1	0	0	0	110.3	H523 V524 F529 L530 H531	H523-I527 WeakPolarHBondContact O-CG1 3.29Å; H523-I527 PolarHBondContact O-N 3.48Å; H523-I527 VanDerWaalsContact O-N 3.08Å; V524-I527 PolarHBondContact O-N 3.3Å; I527-F529 VanDerWaalsContact C-N 3.31Å; I527-F529 PolarHBondContact O-N 3.35Å; I527-L530 PolarHBondContact O-N 2.71Å; I527-H531 VanDerWaalsContact O-CB 3.23Å; I527-H531 WeakPolarHBondContact O-CB 3.39Å; I527-H531 PolarHBondContact O-N 2.97Å
528	A	58.2	Low	55.1	Low	51 Å²	51	82.8 Å²	82.8	42%	0.421	44%	0.441	S	S	.	.	H	α-helix	trans	-67.2	-29.9	175	0	0	0	0	0	112.4	V524 Y532	V524-A528 WeakPolarHBondContact O-CA 3.4Å; V524-A528 WeakPolarHBondContact O-CB 3.35Å; V524-A528 PolarHBondContact O-N 3.36Å; A528-Y532 WeakPolarHBondContact O-CA 3.23Å; A528-Y532 WeakPolarHBondContact O-CB 3.47Å; A528-Y532 PolarHBondContact O-N 3.47Å
529	F	64.7	Low	55.8	Low	82 Å²	82	80.3 Å²	80.3	36%	0.36	43%	0.428	S	S	.	.	H	α-helix	trans	-73.2	-43.7	173.8	-174.6	-109.4	0	0	0	111.6	S525 C526 I527 H531 Y532 L533 I663	S525-F529 WeakPolarHBondContact O-CA 3.49Å; S525-F529 WeakPolarHBondContact O-CB 3.46Å; S525-F529 PolarHBondContact O-N 2.92Å; C526-F529 PolarHBondContact O-N 3.36Å; I527-F529 VanDerWaalsContact C-N 3.31Å; I527-F529 PolarHBondContact O-N 3.35Å; F529-H531 VanDerWaalsContact C-N 3.34Å; F529-H531 PolarHBondContact O-N 3.11Å; F529-Y532 HydrophobicContact CD2-CD1 4.12Å; F529-Y532 HydrophobicContact CE2-CD1 4.2Å; F529-Y532 HydrophobicContact CE2-CE1 4.49Å; F529-Y532 WeakPolarHBondContact O-CB 3.39Å; F529-Y532 PolarHBondContact O-N 3.41Å; F529-L533 HydrophobicContact CD1-CD1 4.14Å; F529-L533 HydrophobicContact CD1-CG 4.42Å; F529-L533 HydrophobicContact CE1-CD1 3.68Å; F529-L533 HydrophobicContact CE1-CD2 4.46Å; F529-L533 HydrophobicContact CE1-CG 4.13Å; F529-L533 HydrophobicContact CE2-CD2 4.34Å; F529-L533 HydrophobicContact CZ-CD1 4.1Å; F529-L533 HydrophobicContact CZ-CD2 4.05Å; F529-L533 HydrophobicContact CZ-CG 4.19Å; F529-L533 WeakPolarHBondContact O-CG 3.43Å; F529-L533 PolarHBondContact O-N 3.09Å; F529-I663 HydrophobicContact CE1-CD1 4.44Å; F529-I663 HydrophobicContact CE1-CG1 4.43Å
530	L	67.7	Low	56.1	Low	94 Å²	94	78.6 Å²	78.6	49%	0.492	41%	0.414	S	S	.	.	H	α-helix	trans	-59.7	-45.7	170.1	-79.4	166.6	0	0	0	111.2	C526 I527 Y532 L533 L534	C526-L530 PolarHBondContact O-N 2.9Å; I527-L530 PolarHBondContact O-N 2.71Å; L530-Y532 VanDerWaalsContact C-N 3.29Å; L530-Y532 PolarHBondContact O-N 3.29Å; L530-L533 PolarHBondContact O-N 2.95Å; L530-L534 WeakPolarHBondContact O-CB 3.39Å; L530-L534 VanDerWaalsContact O-CG 3.28Å; L530-L534 WeakPolarHBondContact O-CG 3.24Å; L530-L534 PolarHBondContact O-N 2.88Å
531	H	64.6	Low	56.5	Low	126 Å²	126	82 Å²	82	58%	0.583	43%	0.431	S	S	*	.	H	α-helix	trans	-63.4	-33.4	174.6	-170.2	-91.4	0	0	0	112.2	I527 F529 S535	I527-H531 VanDerWaalsContact O-CB 3.23Å; I527-H531 WeakPolarHBondContact O-CB 3.39Å; I527-H531 PolarHBondContact O-N 2.97Å; F529-H531 VanDerWaalsContact C-N 3.34Å; F529-H531 PolarHBondContact O-N 3.11Å; H531-S535 WeakPolarHBondContact O-CA 3.38Å; H531-S535 WeakPolarHBondContact O-CB 3.23Å; H531-S535 PolarHBondContact O-N 3.1Å
532	Y	65.9	Low	57	Low	101 Å²	101	80.7 Å²	80.7	40%	0.396	44%	0.438	S	S	.	.	H	α-helix	trans	-69.1	-43.4	173.5	165.9	-98.7	0	0	0	111.8	A528 F529 L530 L534 R536	A528-Y532 WeakPolarHBondContact O-CA 3.23Å; A528-Y532 WeakPolarHBondContact O-CB 3.47Å; A528-Y532 PolarHBondContact O-N 3.47Å; F529-Y532 HydrophobicContact CD2-CD1 4.12Å; F529-Y532 HydrophobicContact CE2-CD1 4.2Å; F529-Y532 HydrophobicContact CE2-CE1 4.49Å; F529-Y532 WeakPolarHBondContact O-CB 3.39Å; F529-Y532 PolarHBondContact O-N 3.41Å; L530-Y532 VanDerWaalsContact C-N 3.29Å; L530-Y532 PolarHBondContact O-N 3.29Å; Y532-L534 VanDerWaalsContact C-N 3.31Å; Y532-L534 PolarHBondContact O-N 3.44Å; Y532-R536 WeakPolarHBondContact O-CB 3.36Å; Y532-R536 PolarHBondContact O-N 2.79Å; Y532-R536 WeakPolarHBondContact OH-CD 3.27Å; Y532-R536 PolarHBondContact OH-NH1 2.6Å
533	L	64.1	Low	57.5	Low	15 Å²	15	81.5 Å²	81.5	8%	0.079	44%	0.438	C	S	.	.	H	α-helix	trans	-64.1	-36.6	175.3	-65.9	-177.8	0	0	0	111.9	F529 L530 S537 F560	F529-L533 HydrophobicContact CD1-CD1 4.14Å; F529-L533 HydrophobicContact CD1-CG 4.42Å; F529-L533 HydrophobicContact CE1-CD1 3.68Å; F529-L533 HydrophobicContact CE1-CD2 4.46Å; F529-L533 HydrophobicContact CE1-CG 4.13Å; F529-L533 HydrophobicContact CE2-CD2 4.34Å; F529-L533 HydrophobicContact CZ-CD1 4.1Å; F529-L533 HydrophobicContact CZ-CD2 4.05Å; F529-L533 HydrophobicContact CZ-CG 4.19Å; F529-L533 WeakPolarHBondContact O-CG 3.43Å; F529-L533 PolarHBondContact O-N 3.09Å; L530-L533 PolarHBondContact O-N 2.95Å; L533-S537 PolarHBondContact O-N 2.97Å; L533-F560 HydrophobicContact CB-CZ 4.29Å; L533-F560 HydrophobicContact CD2-CZ 4Å
534	L	66.6	Low	57.3	Low	92 Å²	92	84.8 Å²	84.8	48%	0.482	45%	0.453	S	S	.	.	H	α-helix	trans	-73.3	-50.2	175.1	-68.1	168.4	0	0	0	111.7	L530 Y532 S537 D538 L564	L530-L534 WeakPolarHBondContact O-CB 3.39Å; L530-L534 VanDerWaalsContact O-CG 3.28Å; L530-L534 WeakPolarHBondContact O-CG 3.24Å; L530-L534 PolarHBondContact O-N 2.88Å; Y532-L534 VanDerWaalsContact C-N 3.31Å; Y532-L534 PolarHBondContact O-N 3.44Å; L534-S537 WeakPolarHBondContact O-CA 3.23Å; L534-S537 WeakPolarHBondContact O-CB 3.45Å; L534-S537 PolarHBondContact O-N 2.7Å; L534-S537 PolarHBondContact O-OG 3.31Å; L534-D538 PolarHBondContact O-N 3.01Å; L534-L564 HydrophobicContact CD2-CD2 4.36Å
535	S	62.3	Low	57.5	Low	50 Å²	50	82.7 Å²	82.7	35%	0.35	44%	0.441	S	S	.	.	H	α-helix	trans	-65.8	-40.9	-178.9	179.3	0	0	0	0	112.2	H531 S537 D538 L539	H531-S535 WeakPolarHBondContact O-CA 3.38Å; H531-S535 WeakPolarHBondContact O-CB 3.23Å; H531-S535 PolarHBondContact O-N 3.1Å; S535-S537 PolarHBondContact O-N 3.21Å; S535-D538 CarbonylContact O-C 3.47Å; S535-D538 PolarHBondContact O-N 2.89Å; S535-L539 WeakPolarHBondContact O-CB 3.27Å; S535-L539 PolarHBondContact O-N 3.16Å
536	R	60.2	Low	56.8	Low	97 Å²	97	88.4 Å²	88.4	37%	0.366	46%	0.461	S	S	.	.	H	α-helix	trans	-62.3	-25.9	170.8	-173.4	174.4	176.2	106.5	8	111.8	Y532 D538 H557 E666	Y532-R536 WeakPolarHBondContact O-CB 3.36Å; Y532-R536 PolarHBondContact O-N 2.79Å; Y532-R536 WeakPolarHBondContact OH-CD 3.27Å; Y532-R536 PolarHBondContact OH-NH1 2.6Å; R536-D538 VanDerWaalsContact C-N 3.33Å; R536-H557 PolarHBondContact O-CD2 2.84Å; R536-H557 PolarHBondContact O-NE2 2.92Å; R536-E666 IonicContact NE-OE1 2.69Å
537	S	55.5	Low	56.4	Low	15 Å²	15	91.7 Å²	91.7	11%	0.105	47%	0.472	C	S	.	.	H	α-helix	trans	-69.5	-29.7	172.2	96.7	0	0	0	0	112.8	L533 L534 S535 R561	L533-S537 PolarHBondContact O-N 2.97Å; L534-S537 WeakPolarHBondContact O-CA 3.23Å; L534-S537 WeakPolarHBondContact O-CB 3.45Å; L534-S537 PolarHBondContact O-N 2.7Å; L534-S537 PolarHBondContact O-OG 3.31Å; S535-S537 PolarHBondContact O-N 3.21Å; S537-R561 VanDerWaalsContact C-NH2 3.33Å; S537-R561 PolarHBondContact O-NE 3.49Å; S537-R561 PolarHBondContact O-NH2 2.82Å
538	D	55.9	Low	55.8	Low	86 Å²	86	90.5 Å²	90.5	46%	0.46	48%	0.475	S	S	.	.	H	α-helix	trans	-101.5	-22.3	-178.4	-73.9	-38.2	0	0	0	114.6	L534 S535 R536 A540 L541 R561	L534-D538 PolarHBondContact O-N 3.01Å; S535-D538 CarbonylContact O-C 3.47Å; S535-D538 PolarHBondContact O-N 2.89Å; R536-D538 VanDerWaalsContact C-N 3.33Å; D538-A540 PolarHBondContact O-N 2.92Å; D538-A540 VanDerWaalsContact O-N 3.12Å; D538-L541 WeakPolarHBondContact O-CB 3.3Å; D538-L541 PolarHBondContact O-N 2.91Å; D538-R561 IonicContact OD1-CZ 2.78Å; D538-R561 IonicContact OD1-NH1 2.87Å; D538-R561 IonicContact OD1-NH2 3.66Å; D538-R561 PolarHBondContact OD1-NH2 3.26Å
539	L	51.2	Low	55.5	Low	94 Å²	94	93.5 Å²	93.5	49%	0.492	48%	0.48	S	S	.	.	H	α-helix	trans	-58.8	-30.1	-174.9	-170.2	67.4	0	0	0	113	S535 L541 T542 T543	S535-L539 WeakPolarHBondContact O-CB 3.27Å; S535-L539 PolarHBondContact O-N 3.16Å; L539-L541 PolarHBondContact O-N 3.04Å; L539-L541 VanDerWaalsContact O-N 3.13Å; L539-T542 PolarHBondContact O-N 3.47Å; L539-T542 PolarHBondContact O-OG1 3.33Å; L539-T543 HydrophobicContact CG-CG2 4.44Å; L539-T543 PolarHBondContact O-N 2.89Å
540	A	47.3	Very low	54.5	Low	16 Å²	16	93 Å²	93	13%	0.132	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16	173.9	0	0	0	0	0	114.1	D538 V553	D538-A540 PolarHBondContact O-N 2.92Å; D538-A540 VanDerWaalsContact O-N 3.12Å; A540-V553 HydrophobicContact CB-CG1 4.18Å
541	L	47.8	Very low	53.6	Low	156 Å²	156	96 Å²	96	82%	0.817	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-17.2	174.3	-151.3	79.8	0	0	0	112.8	D538 L539	D538-L541 WeakPolarHBondContact O-CB 3.3Å; D538-L541 PolarHBondContact O-N 2.91Å; L539-L541 PolarHBondContact O-N 3.04Å; L539-L541 VanDerWaalsContact O-N 3.13Å
542	T	52	Low	53.1	Low	105 Å²	105	95.9 Å²	95.9	64%	0.644	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-21.5	-176.8	67.2	0	0	0	0	113.5	L539	L539-T542 PolarHBondContact O-N 3.47Å; L539-T542 PolarHBondContact O-OG1 3.33Å
543	T	49.8	Very low	52.6	Low	65 Å²	65	92.9 Å²	92.9	40%	0.399	47%	0.47	S	S	.	.	S	Bend	trans	-85.5	125.1	-178.8	54.3	0	0	0	0	113	L539 V545	L539-T543 HydrophobicContact CG-CG2 4.44Å; L539-T543 PolarHBondContact O-N 2.89Å; T543-V545 PolarHBondContact O-N 3.43Å
544	Q	42.6	Very low	52.3	Low	199 Å²	199	95.3 Å²	95.3	93%	0.93	48%	0.483	S	S	*	.			trans	-69.6	63.9	176.4	-72	-82.5	-7.6	0	0	113.1
545	V	54.1	Low	52.2	Low	53 Å²	53	93.4 Å²	93.4	32%	0.321	48%	0.475	S	S	.	.			trans	-82.2	138	-179.2	176.9	0	0	0	0	111.2	T543 L547 Q549	T543-V545 PolarHBondContact O-N 3.43Å; V545-L547 PolarHBondContact O-N 3.37Å; V545-Q549 HydrophobicContact CG1-CB 3.76Å
546	K	40.8	Very low	52.3	Low	157 Å²	157	93.1 Å²	93.1	68%	0.683	47%	0.468	S	S	*	.			trans	-54	135.8	179.1	-70.1	177.3	-179.9	172.7	0	111.5	S548 Q549 F550	K546-S548 PolarHBondContact O-N 2.57Å; K546-Q549 PolarHBondContact O-N 2.92Å; K546-F550 PolarHBondContact O-N 3.45Å
547	L	48.8	Very low	52.7	Low	149 Å²	149	90.3 Å²	90.3	78%	0.78	46%	0.459	S	S	*	.	H	α-helix	trans	-57.4	-25.9	-168.7	-153.8	74.3	0	0	0	114.8	V545	V545-L547 PolarHBondContact O-N 3.37Å
548	S	51.7	Low	53.5	Low	98 Å²	98	90.2 Å²	90.2	69%	0.685	46%	0.461	S	S	*	.	H	α-helix	trans	-69.7	-49.5	173.1	49.2	0	0	0	0	112.6	K546 R551	K546-S548 PolarHBondContact O-N 2.57Å; S548-R551 PolarHBondContact O-N 3.44Å
549	Q	51.3	Low	54.4	Low	113 Å²	113	88 Å²	88	53%	0.528	45%	0.448	S	S	.	.	H	α-helix	trans	-67.4	-36.7	175.7	-72.5	172.4	-48.7	0	0	111.4	V545 K546 R551 Y552 V553	V545-Q549 HydrophobicContact CG1-CB 3.76Å; K546-Q549 PolarHBondContact O-N 2.92Å; Q549-R551 PolarHBondContact O-N 3.01Å; Q549-Y552 PolarHBondContact O-N 3.42Å; Q549-V553 WeakPolarHBondContact O-CG2 3.46Å; Q549-V553 PolarHBondContact O-N 2.91Å
550	F	45.1	Very low	55.7	Low	72 Å²	72	84.4 Å²	84.4	32%	0.316	43%	0.429	S	S	.	.	H	α-helix	trans	-51.6	-33.9	177.3	-165.5	-115.4	0	0	0	112.6	K546 N554	K546-F550 PolarHBondContact O-N 3.45Å; F550-N554 WeakPolarHBondContact CD1-ND2 3.37Å; F550-N554 WeakPolarHBondContact CE1-ND2 3.36Å; F550-N554 WeakPolarHBondContact CZ-ND2 3.47Å; F550-N554 VanDerWaalsContact O-CB 3.27Å; F550-N554 WeakPolarHBondContact O-CB 3.33Å; F550-N554 VanDerWaalsContact O-CG 3.23Å; F550-N554 PolarHBondContact O-N 2.89Å; F550-N554 PolarHBondContact O-ND2 2.85Å
551	R	48.8	Very low	57.3	Low	158 Å²	158	89.2 Å²	89.2	60%	0.596	44%	0.444	S	S	*	.	H	α-helix	trans	-70.1	-40.8	176	-162.8	178.3	-162.3	136.8	12.8	113.4	S548 Q549 V555	S548-R551 PolarHBondContact O-N 3.44Å; Q549-R551 PolarHBondContact O-N 3.01Å; R551-V555 WeakPolarHBondContact O-CG2 3.36Å; R551-V555 PolarHBondContact O-N 3.32Å
552	Y	53.1	Low	59.1	Low	123 Å²	123	82.8 Å²	82.8	48%	0.482	41%	0.41	S	S	.	.	H	α-helix	trans	-67.6	-47.3	176.7	-175.8	-82.8	0	0	0	110.5	F256 Q549 N554 V555 H556	F256-Y552 HydrophobicContact CE2-CE2 4.37Å; F256-Y552 AromaticContact CZ-CE2 3.97Å; F256-Y552 HydrophobicContact CZ-CE2 3.97Å; Q549-Y552 PolarHBondContact O-N 3.42Å; Y552-N554 PolarHBondContact O-N 2.95Å; Y552-V555 PolarHBondContact O-N 3.46Å; Y552-H556 PolarHBondContact O-N 3.24Å
553	V	55.9	Low	60.6	Low	38 Å²	38	80.2 Å²	80.2	23%	0.23	39%	0.389	C	S	.	.	H	α-helix	trans	-54.2	-51.4	175.9	172.8	0	0	0	0	110.6	A540 Q549 V555 H556 H557	A540-V553 HydrophobicContact CB-CG1 4.18Å; Q549-V553 WeakPolarHBondContact O-CG2 3.46Å; Q549-V553 PolarHBondContact O-N 2.91Å; V553-V555 PolarHBondContact O-N 3Å; V553-H556 PolarHBondContact O-N 3.43Å; V553-H557 PolarHBondContact O-N 3.46Å; V553-H557 PolarHBondContact O-ND1 3.34Å
554	N	58.5	Low	62.4	Low	66 Å²	66	79.5 Å²	79.5	35%	0.353	38%	0.382	S	S	.	.	H	α-helix	trans	-64.2	-37.4	-179.4	-78.2	-37.8	0	0	0	113.9	F550 Y552 G558	F550-N554 WeakPolarHBondContact CD1-ND2 3.37Å; F550-N554 WeakPolarHBondContact CE1-ND2 3.36Å; F550-N554 WeakPolarHBondContact CZ-ND2 3.47Å; F550-N554 VanDerWaalsContact O-CB 3.27Å; F550-N554 WeakPolarHBondContact O-CB 3.33Å; F550-N554 VanDerWaalsContact O-CG 3.23Å; F550-N554 PolarHBondContact O-N 2.89Å; F550-N554 PolarHBondContact O-ND2 2.85Å; Y552-N554 PolarHBondContact O-N 2.95Å; N554-G558 PolarHBondContact O-N 3.3Å
555	V	63.5	Low	64.6	Low	51 Å²	51	74.2 Å²	74.2	31%	0.309	36%	0.36	S	S	.	.	H	α-helix	trans	-66.9	-41.1	176.1	170.4	0	0	0	0	110.9	R551 Y552 V553 G558 I559	R551-V555 WeakPolarHBondContact O-CG2 3.36Å; R551-V555 PolarHBondContact O-N 3.32Å; Y552-V555 PolarHBondContact O-N 3.46Å; V553-V555 PolarHBondContact O-N 3Å; V555-G558 PolarHBondContact O-N 3.4Å; V555-I559 HydrophobicContact CG1-CD1 4.07Å; V555-I559 VanDerWaalsContact O-CG1 3.31Å; V555-I559 WeakPolarHBondContact O-CG1 3.29Å; V555-I559 PolarHBondContact O-N 2.94Å
556	H	64.6	Low	66.4	Low	45 Å²	45	72.4 Å²	72.4	21%	0.208	35%	0.348	C	S	.	.	H	α-helix	trans	-65	-49	176.3	-174.6	-75.6	0	0	0	111.9	Y552 V553 G558 I559 F560 E666 N669	Y552-H556 PolarHBondContact O-N 3.24Å; V553-H556 PolarHBondContact O-N 3.43Å; H556-G558 VanDerWaalsContact C-N 3.31Å; H556-G558 PolarHBondContact O-N 3.35Å; H556-I559 PolarHBondContact O-N 2.94Å; H556-I559 VanDerWaalsContact O-N 3.12Å; H556-F560 PolarHBondContact O-N 3.18Å; H556-E666 IonicContact CE1-OE2 3.65Å; H556-N669 PolarHBondContact CE1-ND2 2.98Å; H556-N669 PolarHBondContact NE2-ND2 3.01Å
557	H	67.5	Low	68.8	Low	37 Å²	37	66.5 Å²	66.5	17%	0.171	32%	0.322	C	S	.	.	H	α-helix	trans	-63.9	-35.5	177.3	-72.3	66.3	0	0	0	112	R536 V553 F560 R561	R536-H557 PolarHBondContact O-CD2 2.84Å; R536-H557 PolarHBondContact O-NE2 2.92Å; V553-H557 PolarHBondContact O-N 3.46Å; V553-H557 PolarHBondContact O-ND1 3.34Å; H557-F560 PolarHBondContact O-N 2.75Å; H557-R561 WeakPolarHBondContact O-CB 3.44Å; H557-R561 WeakPolarHBondContact O-CG 3.5Å; H557-R561 PolarHBondContact O-N 3.41Å
558	G	72.5	Confident	70.9	Confident	14 Å²	14	65.4 Å²	65.4	14%	0.144	31%	0.311	C	S	.	.	H	α-helix	trans	-60	-46.1	171.5	0	0	0	0	0	112.2	N554 V555 H556 F560 L562	N554-G558 PolarHBondContact O-N 3.3Å; V555-G558 PolarHBondContact O-N 3.4Å; H556-G558 VanDerWaalsContact C-N 3.31Å; H556-G558 PolarHBondContact O-N 3.35Å; G558-F560 PolarHBondContact O-N 3.42Å; G558-L562 WeakPolarHBondContact O-CB 3.5Å; G558-L562 PolarHBondContact O-N 2.95Å
559	I	76.3	Confident	72.9	Confident	38 Å²	38	64.7 Å²	64.7	20%	0.195	30%	0.299	C	S	.	.	H	α-helix	trans	-64.2	-38.2	175.2	-68.1	164.2	0	0	0	111.4	V555 H556 R563	V555-I559 HydrophobicContact CG1-CD1 4.07Å; V555-I559 VanDerWaalsContact O-CG1 3.31Å; V555-I559 WeakPolarHBondContact O-CG1 3.29Å; V555-I559 PolarHBondContact O-N 2.94Å; H556-I559 PolarHBondContact O-N 2.94Å; H556-I559 VanDerWaalsContact O-N 3.12Å; I559-R563 VanDerWaalsContact O-CG 3.26Å; I559-R563 WeakPolarHBondContact O-CG 3.27Å; I559-R563 PolarHBondContact O-N 3.03Å
560	F	78.4	Confident	74.9	Confident	20 Å²	20	60 Å²	60	9%	0.088	28%	0.278	C	S	.	.	H	α-helix	trans	-65.2	-53.4	175.2	-179.6	-93.4	0	0	0	112.1	L533 H556 H557 G558 L562 R563 L564 I662 E666	L533-F560 HydrophobicContact CB-CZ 4.29Å; L533-F560 HydrophobicContact CD2-CZ 4Å; H556-F560 PolarHBondContact O-N 3.18Å; H557-F560 PolarHBondContact O-N 2.75Å; G558-F560 PolarHBondContact O-N 3.42Å; F560-L562 PolarHBondContact O-N 3.38Å; F560-R563 WeakPolarHBondContact O-CB 3.34Å; F560-R563 PolarHBondContact O-N 2.89Å; F560-L564 PolarHBondContact O-N 2.92Å; F560-I662 HydrophobicContact CE2-CG2 4.2Å; F560-E666 HydrophobicContact CE2-CB 4.46Å; F560-E666 HydrophobicContact CE2-CG 4.37Å
561	R	81	Confident	77.2	Confident	116 Å²	116	60.7 Å²	60.7	44%	0.438	28%	0.281	S	S	.	.	H	α-helix	trans	-54.2	-38.1	175.8	-74.2	-177.8	178.8	-130.8	4	111.5	S537 D538 H557 L564 L565	S537-R561 VanDerWaalsContact C-NH2 3.33Å; S537-R561 PolarHBondContact O-NE 3.49Å; S537-R561 PolarHBondContact O-NH2 2.82Å; D538-R561 IonicContact OD1-CZ 2.78Å; D538-R561 IonicContact OD1-NH1 2.87Å; D538-R561 IonicContact OD1-NH2 3.66Å; D538-R561 PolarHBondContact OD1-NH2 3.26Å; H557-R561 WeakPolarHBondContact O-CB 3.44Å; H557-R561 WeakPolarHBondContact O-CG 3.5Å; H557-R561 PolarHBondContact O-N 3.41Å; R561-L564 PolarHBondContact O-N 3.37Å; R561-L565 WeakPolarHBondContact O-CB 3.4Å; R561-L565 PolarHBondContact O-N 2.96Å
562	L	85.4	Confident	79.4	Confident	21 Å²	21	55.6 Å²	55.6	11%	0.11	27%	0.269	C	S	.	.	H	α-helix	trans	-71.6	-33.2	178.5	-166.1	67.4	0	0	0	113.7	L227 V228 Y231 G558 F560 L565 H566	L227-L562 HydrophobicContact CD1-CD1 4.17Å; L227-L562 HydrophobicContact CD2-CD1 3.71Å; L227-L562 HydrophobicContact CD2-CG 3.84Å; L227-L562 HydrophobicContact CG-CD1 3.71Å; L227-L562 HydrophobicContact CG-CD2 4.2Å; L227-L562 HydrophobicContact CG-CG 3.86Å; V228-L562 HydrophobicContact CG2-CD2 4.15Å; Y231-L562 HydrophobicContact CD1-CD2 4.29Å; Y231-L562 HydrophobicContact CD2-CD2 4.45Å; Y231-L562 HydrophobicContact CG-CD2 3.81Å; G558-L562 WeakPolarHBondContact O-CB 3.5Å; G558-L562 PolarHBondContact O-N 2.95Å; F560-L562 PolarHBondContact O-N 3.38Å; L562-L565 HydrophobicContact CD1-CD2 4.32Å; L562-H566 WeakPolarHBondContact O-CB 3.47Å; L562-H566 PolarHBondContact O-N 3.3Å
563	R	84.1	Confident	81.4	Confident	52 Å²	52	53.7 Å²	53.7	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-68.6	-39.5	170.8	-71	166.1	-176.2	-151	1.4	111.4	I559 F560 H566 F567 Y665	I559-R563 VanDerWaalsContact O-CG 3.26Å; I559-R563 WeakPolarHBondContact O-CG 3.27Å; I559-R563 PolarHBondContact O-N 3.03Å; F560-R563 WeakPolarHBondContact O-CB 3.34Å; F560-R563 PolarHBondContact O-N 2.89Å; R563-H566 PolarHBondContact O-N 2.95Å; R563-F567 PolarHBondContact O-N 3.39Å; R563-Y665 VanDerWaalsContact NH1-CD2 3.32Å
564	L	87	Confident	83.3	Confident	50 Å²	50	52.4 Å²	52.4	26%	0.262	26%	0.263	S	S	.	.	H	α-helix	trans	-65.7	-40.7	174.9	-172.7	63.4	0	0	0	111.5	L534 F560 R561 F567 F568	L534-L564 HydrophobicContact CD2-CD2 4.36Å; F560-L564 PolarHBondContact O-N 2.92Å; R561-L564 PolarHBondContact O-N 3.37Å; L564-F567 PolarHBondContact O-N 3.22Å; L564-F568 PolarHBondContact O-N 3.48Å
565	L	89.2	Confident	85	Confident	88 Å²	88	51.3 Å²	51.3	46%	0.461	26%	0.256	S	S	.	.	H	α-helix	trans	-61.7	-44.4	172.2	-178	65.6	0	0	0	111.9	R561 L562 F567 F568 I569	R561-L565 WeakPolarHBondContact O-CB 3.4Å; R561-L565 PolarHBondContact O-N 2.96Å; L562-L565 HydrophobicContact CD1-CD2 4.32Å; L565-F567 VanDerWaalsContact C-N 3.34Å; L565-F567 PolarHBondContact O-N 2.88Å; L565-F568 PolarHBondContact O-N 2.79Å; L565-I569 HydrophobicContact CG-CD1 4.16Å; L565-I569 WeakPolarHBondContact O-CG1 3.38Å; L565-I569 PolarHBondContact O-N 3.04Å
566	H	90.9	Very high	86.5	Confident	14 Å²	14	51.6 Å²	51.6	7%	0.065	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-42.6	175	-178.5	-104.5	0	0	0	112	I220 S223 R224 L227 L562 R563 I569 V570	I220-H566 PolarHBondContact O-CE1 3.46Å; S223-H566 PolarHBondContact OG-NE2 2.91Å; R224-H566 WeakPolarHBondContact CB-ND1 3.46Å; R224-H566 HydrophobicContact CG-CB 4.44Å; R224-H566 PolarHBondContact N-NE2 3.36Å; L227-H566 HydrophobicContact CD2-CB 3.92Å; L562-H566 WeakPolarHBondContact O-CB 3.47Å; L562-H566 PolarHBondContact O-N 3.3Å; R563-H566 PolarHBondContact O-N 2.95Å; H566-I569 PolarHBondContact O-N 2.7Å; H566-V570 WeakPolarHBondContact O-CG2 3.24Å; H566-V570 PolarHBondContact O-N 2.8Å
567	F	91.6	Very high	87.9	Confident	33 Å²	33	52.6 Å²	52.6	15%	0.145	27%	0.269	C	S	.	.	H	α-helix	trans	-60.6	-43.5	173.8	176.3	-102.2	0	0	0	112.2	R563 L564 L565 I569 V570 F571 F659 I662	R563-F567 PolarHBondContact O-N 3.39Å; L564-F567 PolarHBondContact O-N 3.22Å; L565-F567 VanDerWaalsContact C-N 3.34Å; L565-F567 PolarHBondContact O-N 2.88Å; F567-I569 PolarHBondContact O-N 3.4Å; F567-V570 PolarHBondContact O-N 2.82Å; F567-F571 VanDerWaalsContact O-CB 3.3Å; F567-F571 WeakPolarHBondContact O-CB 3.45Å; F567-F571 PolarHBondContact O-N 3.49Å; F567-F659 HydrophobicContact CD1-CD2 4.46Å; F567-F659 HydrophobicContact CD2-CB 4.47Å; F567-F659 AromaticContact CE1-CD2 3.95Å; F567-F659 HydrophobicContact CE1-CD2 3.95Å; F567-F659 HydrophobicContact CE2-CB 3.69Å; F567-F659 HydrophobicContact CE2-CD2 4.17Å; F567-F659 HydrophobicContact CE2-CG 4.38Å; F567-F659 HydrophobicContact CZ-CB 3.91Å; F567-F659 AromaticContact CZ-CD2 3.79Å; F567-F659 HydrophobicContact CZ-CD2 3.79Å; F567-F659 HydrophobicContact CZ-CG 4.17Å; F567-I662 HydrophobicContact CB-CD1 3.63Å; F567-I662 HydrophobicContact CD2-CD1 4.31Å; F567-I662 HydrophobicContact CG-CD1 4.1Å
568	F	92.3	Very high	89.2	Confident	126 Å²	126	50.9 Å²	50.9	55%	0.553	26%	0.261	S	S	*	.	H	α-helix	trans	-62.6	-40.5	176.3	-172.6	-100.5	0	0	0	112.2	L564 L565 F571 C572	L564-F568 PolarHBondContact O-N 3.48Å; L565-F568 PolarHBondContact O-N 2.79Å; F568-F571 WeakPolarHBondContact O-CB 3.37Å; F568-F571 PolarHBondContact O-N 2.89Å; F568-C572 PolarHBondContact O-N 3.31Å; F568-C572 PolarHBondContact O-SG 2.75Å; F568-C572 VanDerWaalsContact O-SG 3.36Å
569	I	93.6	Very high	90.3	Very high	84 Å²	84	51 Å²	51	43%	0.431	26%	0.258	S	S	.	.	H	α-helix	trans	-61.7	-46.9	173.5	-67.6	163.1	0	0	0	110.8	L565 H566 F567 F571 C572 V573	L565-I569 HydrophobicContact CG-CD1 4.16Å; L565-I569 WeakPolarHBondContact O-CG1 3.38Å; L565-I569 PolarHBondContact O-N 3.04Å; H566-I569 PolarHBondContact O-N 2.7Å; F567-I569 PolarHBondContact O-N 3.4Å; I569-F571 VanDerWaalsContact C-N 3.32Å; I569-F571 PolarHBondContact O-N 3.4Å; I569-C572 PolarHBondContact O-N 2.61Å; I569-V573 WeakPolarHBondContact O-CG2 3.47Å; I569-V573 PolarHBondContact O-N 3.31Å
570	V	93.5	Very high	91.2	Very high	15 Å²	15	52.1 Å²	52.1	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-37.7	177.4	173.6	0	0	0	0	111.4	I220 H566 F567 V573 V574 L655	I220-V570 HydrophobicContact CD1-CG1 4.11Å; I220-V570 HydrophobicContact CG1-CG1 4.45Å; I220-V570 HydrophobicContact CG2-CG2 4.38Å; H566-V570 WeakPolarHBondContact O-CG2 3.24Å; H566-V570 PolarHBondContact O-N 2.8Å; F567-V570 PolarHBondContact O-N 2.82Å; V570-V573 PolarHBondContact O-N 3.29Å; V570-V574 HydrophobicContact CG1-CG2 4.39Å; V570-V574 WeakPolarHBondContact O-CB 3.36Å; V570-V574 WeakPolarHBondContact O-CG2 3.37Å; V570-V574 PolarHBondContact O-N 2.69Å; V570-L655 HydrophobicContact CG1-CD2 4.02Å
571	F	93.9	Very high	92	Very high	85 Å²	85	55 Å²	55	37%	0.373	28%	0.28	S	S	.	.	H	α-helix	trans	-60.2	-54.3	173.7	-177.3	-93.2	0	0	0	111.2	F567 F568 I569 V573 V574 I575 L655	F567-F571 VanDerWaalsContact O-CB 3.3Å; F567-F571 WeakPolarHBondContact O-CB 3.45Å; F567-F571 PolarHBondContact O-N 3.49Å; F568-F571 WeakPolarHBondContact O-CB 3.37Å; F568-F571 PolarHBondContact O-N 2.89Å; I569-F571 VanDerWaalsContact C-N 3.32Å; I569-F571 PolarHBondContact O-N 3.4Å; F571-V573 VanDerWaalsContact C-N 3.32Å; F571-V573 PolarHBondContact O-N 3.48Å; F571-V574 PolarHBondContact O-N 3.32Å; F571-I575 HydrophobicContact CD1-CG1 4.09Å; F571-I575 HydrophobicContact CD2-CG1 4.4Å; F571-I575 HydrophobicContact CE1-CD1 4.47Å; F571-I575 HydrophobicContact CE1-CG1 3.82Å; F571-I575 HydrophobicContact CE2-CD1 4.22Å; F571-I575 HydrophobicContact CE2-CG1 4.15Å; F571-I575 HydrophobicContact CG-CG1 4.36Å; F571-I575 HydrophobicContact CZ-CD1 4.02Å; F571-I575 HydrophobicContact CZ-CG1 3.85Å; F571-I575 WeakPolarHBondContact O-CB 3.48Å; F571-I575 VanDerWaalsContact O-CG1 3.23Å; F571-I575 WeakPolarHBondContact O-CG1 3.47Å; F571-I575 PolarHBondContact O-N 2.94Å; F571-L655 HydrophobicContact CB-CD2 4.32Å; F571-L655 HydrophobicContact CD2-CD1 3.88Å; F571-L655 HydrophobicContact CD2-CD2 4.42Å; F571-L655 HydrophobicContact CE2-CD1 4.3Å
572	C	95.4	Very high	92.6	Very high	52 Å²	52	50.1 Å²	50.1	35%	0.351	26%	0.264	S	S	.	.	H	α-helix	trans	-58.3	-41.4	177	-68.9	0	0	0	0	112.5	F568 I569 T576	F568-C572 PolarHBondContact O-N 3.31Å; F568-C572 PolarHBondContact O-SG 2.75Å; F568-C572 VanDerWaalsContact O-SG 3.36Å; I569-C572 PolarHBondContact O-N 2.61Å; C572-T576 VanDerWaalsContact O-CB 3.31Å; C572-T576 WeakPolarHBondContact O-CB 3.34Å; C572-T576 PolarHBondContact O-N 2.76Å; C572-T576 PolarHBondContact O-OG1 3.3Å
573	V	95.1	Very high	93	Very high	83 Å²	83	49.1 Å²	49.1	50%	0.503	26%	0.258	S	S	.	.	H	α-helix	trans	-63.4	-49.2	176.1	169.2	0	0	0	0	111.4	I569 V570 F571 T576 C577	I569-V573 WeakPolarHBondContact O-CG2 3.47Å; I569-V573 PolarHBondContact O-N 3.31Å; V570-V573 PolarHBondContact O-N 3.29Å; F571-V573 VanDerWaalsContact C-N 3.32Å; F571-V573 PolarHBondContact O-N 3.48Å; V573-T576 PolarHBondContact O-N 2.82Å; V573-C577 PolarHBondContact O-N 3.21Å; V573-C577 PolarHBondContact O-SG 3.1Å; V573-C577 VanDerWaalsContact O-SG 3.36Å
574	V	94.4	Very high	93.4	Very high	11 Å²	11	50.4 Å²	50.4	7%	0.067	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-47.2	-179.6	169.9	0	0	0	0	111.4	V570 F571 T576 C577 S578 L651 L655	V570-V574 HydrophobicContact CG1-CG2 4.39Å; V570-V574 WeakPolarHBondContact O-CB 3.36Å; V570-V574 WeakPolarHBondContact O-CG2 3.37Å; V570-V574 PolarHBondContact O-N 2.69Å; F571-V574 PolarHBondContact O-N 3.32Å; V574-T576 PolarHBondContact O-N 3.4Å; V574-C577 CarbonylContact O-C 3.56Å; V574-C577 PolarHBondContact O-N 3.47Å; V574-C577 VanDerWaalsContact O-N 3.09Å; V574-S578 WeakPolarHBondContact O-CB 3.41Å; V574-S578 PolarHBondContact O-N 3.15Å; V574-S578 PolarHBondContact O-OG 2.95Å; V574-L651 HydrophobicContact CG1-CB 4.02Å; V574-L655 HydrophobicContact CB-CD1 3.91Å; V574-L655 HydrophobicContact CB-CD2 3.87Å; V574-L655 HydrophobicContact CB-CG 3.94Å; V574-L655 HydrophobicContact CG1-CD1 3.62Å; V574-L655 HydrophobicContact CG1-CD2 4.32Å; V574-L655 HydrophobicContact CG1-CG 3.81Å; V574-L655 HydrophobicContact CG2-CD2 3.84Å; V574-L655 HydrophobicContact CG2-CG 4.13Å
575	I	94.4	Very high	93.6	Very high	43 Å²	43	52.3 Å²	52.3	22%	0.221	28%	0.278	C	S	.	.	H	α-helix	trans	-58.6	-38.2	176.9	-64.8	-68.2	0	0	0	110.9	F571 I579 L580	F571-I575 HydrophobicContact CD1-CG1 4.09Å; F571-I575 HydrophobicContact CD2-CG1 4.4Å; F571-I575 HydrophobicContact CE1-CD1 4.47Å; F571-I575 HydrophobicContact CE1-CG1 3.82Å; F571-I575 HydrophobicContact CE2-CD1 4.22Å; F571-I575 HydrophobicContact CE2-CG1 4.15Å; F571-I575 HydrophobicContact CG-CG1 4.36Å; F571-I575 HydrophobicContact CZ-CD1 4.02Å; F571-I575 HydrophobicContact CZ-CG1 3.85Å; F571-I575 WeakPolarHBondContact O-CB 3.48Å; F571-I575 VanDerWaalsContact O-CG1 3.23Å; F571-I575 WeakPolarHBondContact O-CG1 3.47Å; F571-I575 PolarHBondContact O-N 2.94Å; I575-I579 HydrophobicContact CD1-CD1 3.79Å; I575-I579 HydrophobicContact CG2-CD1 4.43Å; I575-I579 WeakPolarHBondContact O-CA 3.35Å; I575-I579 WeakPolarHBondContact O-CB 3.3Å; I575-I579 PolarHBondContact O-N 3.5Å; I575-L580 PolarHBondContact O-N 3.42Å; I575-L580 VanDerWaalsContact O-N 3.11Å
576	T	95.1	Very high	93.7	Very high	56 Å²	56	48.6 Å²	48.6	34%	0.344	26%	0.258	S	S	.	.	I	π-helix	trans	-64.6	-45.5	174.7	-56.5	0	0	0	0	111.5	C572 V573 V574 L580 I581	C572-T576 VanDerWaalsContact O-CB 3.31Å; C572-T576 WeakPolarHBondContact O-CB 3.34Å; C572-T576 PolarHBondContact O-N 2.76Å; C572-T576 PolarHBondContact O-OG1 3.3Å; V573-T576 PolarHBondContact O-N 2.82Å; V574-T576 PolarHBondContact O-N 3.4Å; T576-L580 PolarHBondContact O-N 3.32Å; T576-I581 HydrophobicContact CG2-CD1 4.03Å; T576-I581 HydrophobicContact CG2-CG1 4.2Å; T576-I581 WeakPolarHBondContact O-CB 3.27Å; T576-I581 WeakPolarHBondContact O-CG1 3.41Å; T576-I581 PolarHBondContact O-N 2.96Å
577	C	94.6	Very high	93.6	Very high	66 Å²	66	49.9 Å²	49.9	45%	0.446	27%	0.267	S	S	.	.	I	π-helix	trans	-75.3	-27.6	-178.7	-67.5	0	0	0	0	114.8	V573 V574 P582	V573-C577 PolarHBondContact O-N 3.21Å; V573-C577 PolarHBondContact O-SG 3.1Å; V573-C577 VanDerWaalsContact O-SG 3.36Å; V574-C577 CarbonylContact O-C 3.56Å; V574-C577 PolarHBondContact O-N 3.47Å; V574-C577 VanDerWaalsContact O-N 3.09Å; C577-P582 WeakPolarHBondContact O-CD 3.35Å; C577-P582 WeakPolarHBondContact O-CG 3.26Å
578	S	94.1	Very high	93.4	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.007	30%	0.295	C	S	.	.	I	π-helix	trans	-105.6	-20.6	-174.1	72.6	0	0	0	0	114.7	V574 L606 Y644	V574-S578 WeakPolarHBondContact O-CB 3.41Å; V574-S578 PolarHBondContact O-N 3.15Å; V574-S578 PolarHBondContact O-OG 2.95Å; S578-L606 WeakPolarHBondContact O-CD1 3.37Å; S578-Y644 WeakPolarHBondContact O-CE2 3.3Å; S578-Y644 PolarHBondContact O-OH 3.38Å
579	I	95.3	Very high	93.1	Very high	16 Å²	16	55.8 Å²	55.8	8%	0.082	29%	0.292	C	S	.	.	I	π-helix	trans	-123.2	-53.9	-178.7	-63.1	166.5	0	0	0	111.5	I575 G583 I599 C602 I603	I575-I579 HydrophobicContact CD1-CD1 3.79Å; I575-I579 HydrophobicContact CG2-CD1 4.43Å; I575-I579 WeakPolarHBondContact O-CA 3.35Å; I575-I579 WeakPolarHBondContact O-CB 3.3Å; I575-I579 PolarHBondContact O-N 3.5Å; I579-G583 WeakPolarHBondContact O-CA 3.28Å; I579-G583 PolarHBondContact O-N 2.72Å; I579-I599 HydrophobicContact CG2-CG1 4.49Å; I579-I599 HydrophobicContact CG2-CG2 4.08Å; I579-C602 HydrophobicContact CB-CB 4.31Å; I579-C602 HydrophobicContact CG1-CB 4.26Å; I579-C602 HydrophobicContact CG2-CB 4.04Å; I579-I603 HydrophobicContact CD1-CG1 4.01Å; I579-I603 HydrophobicContact CG2-CG1 4.03Å
580	L	95.6	Very high	92.6	Very high	62 Å²	62	52 Å²	52	33%	0.325	27%	0.273	S	S	.	.	I	π-helix	trans	-71.5	-52	-171.8	-55.4	-179.5	0	0	0	112.9	I575 T576 G583 I584 I599	I575-L580 PolarHBondContact O-N 3.42Å; I575-L580 VanDerWaalsContact O-N 3.11Å; T576-L580 PolarHBondContact O-N 3.32Å; L580-G583 PolarHBondContact O-N 2.94Å; L580-I584 WeakPolarHBondContact O-CG1 3.33Å; L580-I584 PolarHBondContact O-N 2.95Å; L580-I599 HydrophobicContact CD2-CD1 4.13Å
581	I	95.2	Very high	91.8	Very high	81 Å²	81	59.8 Å²	59.8	42%	0.415	31%	0.308	S	S	.	.	H	α-helix	trans	-63.2	-46.5	178.1	-68.8	169.1	0	0	0	111.1	T576 G583 I584 I585	T576-I581 HydrophobicContact CG2-CD1 4.03Å; T576-I581 HydrophobicContact CG2-CG1 4.2Å; T576-I581 WeakPolarHBondContact O-CB 3.27Å; T576-I581 WeakPolarHBondContact O-CG1 3.41Å; T576-I581 PolarHBondContact O-N 2.96Å; I581-G583 VanDerWaalsContact C-N 3.34Å; I581-G583 PolarHBondContact O-N 3.02Å; I581-I584 PolarHBondContact O-N 3.32Å; I581-I585 HydrophobicContact CG2-CD1 4.01Å; I581-I585 WeakPolarHBondContact O-CG1 3.48Å; I581-I585 PolarHBondContact O-N 3.33Å; I581-I585 VanDerWaalsContact O-N 3.1Å
582	P	93.7	Very high	91.1	Very high	14 Å²	14	60.8 Å²	60.8	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-59	-39.8	171.4	-29.4	40	0	0	0	113.5	C577 I584 I585 F586 Y644	C577-P582 WeakPolarHBondContact O-CD 3.35Å; C577-P582 WeakPolarHBondContact O-CG 3.26Å; P582-I584 VanDerWaalsContact C-N 3.34Å; P582-I584 PolarHBondContact O-N 3Å; P582-I585 CarbonylContact O-C 3.54Å; P582-I585 WeakPolarHBondContact O-CB 3.29Å; P582-I585 PolarHBondContact O-N 2.98Å; P582-I585 VanDerWaalsContact O-N 3.11Å; P582-F586 HydrophobicContact CB-CD2 4.22Å; P582-F586 HydrophobicContact CB-CE2 4.07Å; P582-F586 WeakPolarHBondContact O-CD2 3.32Å; P582-F586 PolarHBondContact O-N 3.37Å; P582-Y644 HydrophobicContact CB-CD2 4.36Å; P582-Y644 HydrophobicContact CB-CE2 3.7Å; P582-Y644 HydrophobicContact CG-CD2 4.25Å; P582-Y644 HydrophobicContact CG-CE2 3.62Å
583	G	93.3	Very high	90.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-58.9	-42.3	175.5	0	0	0	0	0	112.9	I579 L580 I581 F586 T587 A598	I579-G583 WeakPolarHBondContact O-CA 3.28Å; I579-G583 PolarHBondContact O-N 2.72Å; L580-G583 PolarHBondContact O-N 2.94Å; I581-G583 VanDerWaalsContact C-N 3.34Å; I581-G583 PolarHBondContact O-N 3.02Å; G583-F586 PolarHBondContact O-N 3.42Å; G583-T587 PolarHBondContact O-N 3.2Å; G583-T587 PolarHBondContact O-OG1 2.94Å; G583-A598 VanDerWaalsContact O-CB 3.24Å; G583-A598 WeakPolarHBondContact O-CB 3.45Å
584	I	93.5	Very high	90.5	Very high	79 Å²	79	59.5 Å²	59.5	41%	0.405	31%	0.305	S	S	.	.	H	α-helix	trans	-60.9	-46.8	173.2	-64.9	170	0	0	0	110.1	L580 I581 P582 T587 Y588 Y595	L580-I584 WeakPolarHBondContact O-CG1 3.33Å; L580-I584 PolarHBondContact O-N 2.95Å; I581-I584 PolarHBondContact O-N 3.32Å; P582-I584 VanDerWaalsContact C-N 3.34Å; P582-I584 PolarHBondContact O-N 3Å; I584-T587 PolarHBondContact O-N 3.24Å; I584-Y588 HydrophobicContact CG2-CD2 3.88Å; I584-Y588 HydrophobicContact CG2-CE2 3.6Å; I584-Y588 VanDerWaalsContact O-CD2 3.23Å; I584-Y588 WeakPolarHBondContact O-CD2 3.39Å; I584-Y588 PolarHBondContact O-N 3.24Å; I584-Y595 HydrophobicContact CB-CE2 4.48Å; I584-Y595 HydrophobicContact CG1-CD2 4.35Å; I584-Y595 HydrophobicContact CG1-CE2 3.59Å
585	I	92	Very high	90.4	Very high	89 Å²	89	63.6 Å²	63.6	46%	0.456	32%	0.319	S	S	.	.	H	α-helix	trans	-61.9	-46.7	179.6	-66.2	164.9	0	0	0	111.2	I581 P582 T587 Y588 L589	I581-I585 HydrophobicContact CG2-CD1 4.01Å; I581-I585 WeakPolarHBondContact O-CG1 3.48Å; I581-I585 PolarHBondContact O-N 3.33Å; I581-I585 VanDerWaalsContact O-N 3.1Å; P582-I585 CarbonylContact O-C 3.54Å; P582-I585 WeakPolarHBondContact O-CB 3.29Å; P582-I585 PolarHBondContact O-N 2.98Å; P582-I585 VanDerWaalsContact O-N 3.11Å; I585-T587 VanDerWaalsContact C-N 3.32Å; I585-T587 PolarHBondContact O-N 3.41Å; I585-Y588 PolarHBondContact O-N 2.97Å; I585-Y588 VanDerWaalsContact O-N 3.15Å; I585-L589 HydrophobicContact CG2-CD1 3.75Å; I585-L589 HydrophobicContact CG2-CG 4.4Å; I585-L589 WeakPolarHBondContact O-CG 3.49Å; I585-L589 PolarHBondContact O-N 3.08Å; I585-L589 VanDerWaalsContact O-N 3.1Å
586	F	90.7	Very high	90.4	Very high	11 Å²	11	68.7 Å²	68.7	5%	0.048	34%	0.34	C	S	.	.	H	α-helix	trans	-63.3	-36	178.1	-75.7	-61.5	0	0	0	112.1	P582 G583 Y588 L589 E590 W593 A598 F601 A616 Y637 T641 Y644	P582-F586 HydrophobicContact CB-CD2 4.22Å; P582-F586 HydrophobicContact CB-CE2 4.07Å; P582-F586 WeakPolarHBondContact O-CD2 3.32Å; P582-F586 PolarHBondContact O-N 3.37Å; G583-F586 PolarHBondContact O-N 3.42Å; F586-Y588 VanDerWaalsContact C-N 3.3Å; F586-Y588 PolarHBondContact O-N 3.31Å; F586-L589 PolarHBondContact O-N 2.89Å; F586-E590 WeakPolarHBondContact O-CB 3.21Å; F586-E590 PolarHBondContact O-N 3.4Å; F586-W593 HydrophobicContact CB-CE3 4.43Å; F586-W593 HydrophobicContact CB-CZ3 4.45Å; F586-A598 HydrophobicContact CB-CB 3.93Å; F586-F601 HydrophobicContact CD1-CE1 4.43Å; F586-F601 HydrophobicContact CD2-CD1 4.14Å; F586-F601 HydrophobicContact CD2-CE1 4.32Å; F586-F601 HydrophobicContact CE1-CE1 4Å; F586-F601 HydrophobicContact CE2-CD1 4.12Å; F586-F601 AromaticContact CE2-CE1 3.88Å; F586-F601 HydrophobicContact CE2-CE1 3.88Å; F586-F601 HydrophobicContact CG-CD1 4.43Å; F586-F601 HydrophobicContact CZ-CD1 4.37Å; F586-F601 AromaticContact CZ-CE1 3.73Å; F586-F601 HydrophobicContact CZ-CE1 3.73Å; F586-A616 HydrophobicContact CD1-CB 4.02Å; F586-A616 HydrophobicContact CE1-CB 3.71Å; F586-Y637 HydrophobicContact CD1-CE2 4.19Å; F586-Y637 WeakPolarHBondContact CD1-OH 3.4Å; F586-Y637 AromaticContact CE1-CE2 3.94Å; F586-Y637 HydrophobicContact CE1-CE2 3.94Å; F586-T641 HydrophobicContact CE1-CG2 4.37Å; F586-T641 HydrophobicContact CZ-CG2 4.27Å; F586-Y644 AromaticContact CE2-CD1 3.95Å; F586-Y644 HydrophobicContact CE2-CD1 3.95Å; F586-Y644 AromaticContact CE2-CE1 3.76Å; F586-Y644 HydrophobicContact CE2-CE1 3.76Å; F586-Y644 AromaticContact CZ-CD1 3.87Å; F586-Y644 HydrophobicContact CZ-CD1 3.87Å; F586-Y644 HydrophobicContact CZ-CE1 4.12Å
587	T	89.1	Confident	90.3	Very high	40 Å²	40	68 Å²	68	25%	0.245	34%	0.335	C	S	.	.	H	α-helix	trans	-64.4	-32	174.5	-48.5	0	0	0	0	112.6	G583 I584 I585 Y595 A598	G583-T587 PolarHBondContact O-N 3.2Å; G583-T587 PolarHBondContact O-OG1 2.94Å; I584-T587 PolarHBondContact O-N 3.24Å; I585-T587 VanDerWaalsContact C-N 3.32Å; I585-T587 PolarHBondContact O-N 3.41Å; T587-Y595 WeakPolarHBondContact OG1-CA 3.33Å; T587-A598 WeakPolarHBondContact OG1-CB 3.48Å
588	Y	87.3	Confident	90.2	Very high	188 Å²	188	64.9 Å²	64.9	74%	0.737	31%	0.314	S	S	*	.	H	α-helix	trans	-81.1	-21.2	175.4	-76	-60.9	0	0	0	114	I584 I585 F586	I584-Y588 HydrophobicContact CG2-CD2 3.88Å; I584-Y588 HydrophobicContact CG2-CE2 3.6Å; I584-Y588 VanDerWaalsContact O-CD2 3.23Å; I584-Y588 WeakPolarHBondContact O-CD2 3.39Å; I584-Y588 PolarHBondContact O-N 3.24Å; I585-Y588 PolarHBondContact O-N 2.97Å; I585-Y588 VanDerWaalsContact O-N 3.15Å; F586-Y588 VanDerWaalsContact C-N 3.3Å; F586-Y588 PolarHBondContact O-N 3.31Å
589	L	84.7	Confident	90.3	Very high	96 Å²	96	66.4 Å²	66.4	50%	0.503	32%	0.321	S	S	.	.	H	α-helix	trans	-92.6	-42.1	179.5	-66	174.5	0	0	0	112.2	I585 F586 Y637	I585-L589 HydrophobicContact CG2-CD1 3.75Å; I585-L589 HydrophobicContact CG2-CG 4.4Å; I585-L589 WeakPolarHBondContact O-CG 3.49Å; I585-L589 PolarHBondContact O-N 3.08Å; I585-L589 VanDerWaalsContact O-N 3.1Å; F586-L589 PolarHBondContact O-N 2.89Å; L589-Y637 HydrophobicContact CB-CE2 4.21Å; L589-Y637 HydrophobicContact CD1-CD2 3.99Å; L589-Y637 HydrophobicContact CD1-CE2 3.55Å; L589-Y637 HydrophobicContact CG-CE2 4.5Å
590	E	83.5	Confident	90.2	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.019	33%	0.33	C	S	.	.			trans	-96.7	88.6	173.8	-63.8	-69.2	-180	0	0	109.5	F586 N592 W593 S617 S619 Y637	F586-E590 WeakPolarHBondContact O-CB 3.21Å; F586-E590 PolarHBondContact O-N 3.4Å; E590-N592 PolarHBondContact O-N 2.88Å; E590-W593 HydrophobicContact CB-CB 3.89Å; E590-W593 HydrophobicContact CB-CD2 3.68Å; E590-W593 HydrophobicContact CB-CE3 4.1Å; E590-W593 HydrophobicContact CB-CG 3.57Å; E590-W593 HydrophobicContact CG-CD2 3.8Å; E590-W593 HydrophobicContact CG-CE3 3.99Å; E590-W593 HydrophobicContact CG-CG 4.22Å; E590-W593 HydrophobicContact CG-CZ2 4.34Å; E590-W593 HydrophobicContact CG-CZ3 4.36Å; E590-W593 PolarHBondContact O-N 2.72Å; E590-S617 WeakPolarHBondContact OE1-CA 3.26Å; E590-S617 PolarHBondContact OE1-N 3.43Å; E590-S619 VanDerWaalsContact OE2-CB 3.24Å; E590-S619 WeakPolarHBondContact OE2-CB 3.1Å; E590-S619 PolarHBondContact OE2-OG 2.86Å; E590-Y637 WeakPolarHBondContact CG-OH 3.41Å; E590-Y637 WeakPolarHBondContact OE1-CE1 3.27Å; E590-Y637 PolarHBondContact OE1-OH 2.91Å
591	Q	77.6	Confident	90.2	Very high	179 Å²	179	65.8 Å²	65.8	84%	0.836	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.4	-177.3	-62.1	-178.4	3.5	0	0	114.1
592	N	79.1	Confident	90.2	Very high	105 Å²	105	62 Å²	62	56%	0.561	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-2.7	177.9	-65.9	-21.5	0	0	0	114.1	E590 D621	E590-N592 PolarHBondContact O-N 2.88Å; N592-D621 PolarHBondContact ND2-OD2 2.89Å
593	W	84.5	Confident	90.2	Very high	33 Å²	33	65.1 Å²	65.1	13%	0.125	31%	0.31	C	S	.	.			trans	-98.5	137.2	178.1	-72.3	8.8	0	0	0	110.5	F586 E590 D597 A598 F601 M614 A616	F586-W593 HydrophobicContact CB-CE3 4.43Å; F586-W593 HydrophobicContact CB-CZ3 4.45Å; E590-W593 HydrophobicContact CB-CB 3.89Å; E590-W593 HydrophobicContact CB-CD2 3.68Å; E590-W593 HydrophobicContact CB-CE3 4.1Å; E590-W593 HydrophobicContact CB-CG 3.57Å; E590-W593 HydrophobicContact CG-CD2 3.8Å; E590-W593 HydrophobicContact CG-CE3 3.99Å; E590-W593 HydrophobicContact CG-CG 4.22Å; E590-W593 HydrophobicContact CG-CZ2 4.34Å; E590-W593 HydrophobicContact CG-CZ3 4.36Å; E590-W593 PolarHBondContact O-N 2.72Å; W593-D597 HydrophobicContact CB-CB 4.18Å; W593-D597 HydrophobicContact CG-CB 4.43Å; W593-A598 HydrophobicContact CE3-CB 4.34Å; W593-F601 HydrophobicContact CH2-CB 3.99Å; W593-F601 HydrophobicContact CH2-CD1 4.05Å; W593-F601 AromaticContact CH2-CD2 3.85Å; W593-F601 HydrophobicContact CH2-CD2 3.85Å; W593-F601 HydrophobicContact CH2-CE2 4.38Å; W593-F601 AromaticContact CH2-CG 3.67Å; W593-F601 HydrophobicContact CH2-CG 3.67Å; W593-F601 HydrophobicContact CZ3-CB 3.68Å; W593-F601 AromaticContact CZ3-CD1 3.76Å; W593-F601 HydrophobicContact CZ3-CD1 3.76Å; W593-F601 HydrophobicContact CZ3-CD2 4.29Å; W593-F601 AromaticContact CZ3-CG 3.63Å; W593-F601 HydrophobicContact CZ3-CG 3.63Å; W593-M614 HydrophobicContact CH2-CB 4.32Å; W593-M614 HydrophobicContact CZ2-CB 3.84Å; W593-A616 HydrophobicContact CH2-CB 4.04Å; W593-A616 HydrophobicContact CZ3-CB 4.49Å
594	T	92	Very high	90.2	Very high	76 Å²	76	65.5 Å²	65.5	47%	0.466	31%	0.311	S	S	.	.			trans	-75.3	163.1	165.5	74.3	0	0	0	0	110.4	F596 D597 A598	T594-F596 PolarHBondContact O-N 3.03Å; T594-F596 PolarHBondContact OG1-N 2.86Å; T594-D597 WeakPolarHBondContact CA-OD2 3.43Å; T594-D597 VanDerWaalsContact CB-OD2 3.23Å; T594-D597 WeakPolarHBondContact CB-OD2 3.19Å; T594-D597 WeakPolarHBondContact CG2-OD2 3.31Å; T594-D597 PolarHBondContact N-OD2 2.6Å; T594-D597 WeakPolarHBondContact O-CB 3.16Å; T594-D597 PolarHBondContact O-N 3.1Å; T594-D597 PolarHBondContact OG1-N 2.89Å; T594-D597 PolarHBondContact OG1-OD2 3.5Å; T594-A598 PolarHBondContact O-N 2.86Å
595	Y	93.8	Very high	90.3	Very high	96 Å²	96	61.7 Å²	61.7	38%	0.376	29%	0.292	S	S	.	.	H	α-helix	trans	-60	-26.1	172.5	-179.4	-125	0	0	0	113.1	I584 T587 I599	I584-Y595 HydrophobicContact CB-CE2 4.48Å; I584-Y595 HydrophobicContact CG1-CD2 4.35Å; I584-Y595 HydrophobicContact CG1-CE2 3.59Å; T587-Y595 WeakPolarHBondContact OG1-CA 3.33Å; Y595-I599 HydrophobicContact CD1-CD1 4.06Å; Y595-I599 HydrophobicContact CD2-CD1 4.35Å; Y595-I599 HydrophobicContact CD2-CG1 4.43Å; Y595-I599 HydrophobicContact CE1-CD1 3.57Å; Y595-I599 HydrophobicContact CE2-CD1 3.88Å; Y595-I599 HydrophobicContact CE2-CG1 4.03Å; Y595-I599 HydrophobicContact CG-CD1 4.43Å; Y595-I599 VanDerWaalsContact CZ-CD1 3.48Å; Y595-I599 WeakPolarHBondContact O-CB 3.32Å; Y595-I599 WeakPolarHBondContact O-CG1 3.07Å; Y595-I599 PolarHBondContact O-N 2.89Å
596	F	94.3	Very high	90.4	Very high	150 Å²	150	57.9 Å²	57.9	66%	0.658	27%	0.273	S	S	*	.	H	α-helix	trans	-70.3	-44	172.9	-174	-94	0	0	0	111.5	T594 A598 I599 Y600	T594-F596 PolarHBondContact O-N 3.03Å; T594-F596 PolarHBondContact OG1-N 2.86Å; F596-A598 VanDerWaalsContact C-N 3.33Å; F596-A598 PolarHBondContact O-N 3.37Å; F596-I599 PolarHBondContact O-N 3.38Å; F596-Y600 WeakPolarHBondContact O-CB 3.36Å; F596-Y600 PolarHBondContact O-N 3.37Å
597	D	91.8	Very high	90.5	Very high	43 Å²	43	60.5 Å²	60.5	23%	0.23	29%	0.292	C	S	.	.	H	α-helix	trans	-62.9	-40.6	177	-55.6	-45.3	0	0	0	111.5	W593 T594 Y600 F601 M614	W593-D597 HydrophobicContact CB-CB 4.18Å; W593-D597 HydrophobicContact CG-CB 4.43Å; T594-D597 WeakPolarHBondContact CA-OD2 3.43Å; T594-D597 VanDerWaalsContact CB-OD2 3.23Å; T594-D597 WeakPolarHBondContact CB-OD2 3.19Å; T594-D597 WeakPolarHBondContact CG2-OD2 3.31Å; T594-D597 PolarHBondContact N-OD2 2.6Å; T594-D597 WeakPolarHBondContact O-CB 3.16Å; T594-D597 PolarHBondContact O-N 3.1Å; T594-D597 PolarHBondContact OG1-N 2.89Å; T594-D597 PolarHBondContact OG1-OD2 3.5Å; D597-Y600 PolarHBondContact O-N 3.47Å; D597-F601 WeakPolarHBondContact O-CB 3.43Å; D597-F601 PolarHBondContact O-N 3.19Å; D597-M614 HydrophobicContact CB-CE 3.68Å; D597-M614 HydrophobicContact CB-SD 3.98Å
598	A	93.3	Very high	90.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.7	-40.9	175.5	0	0	0	0	0	112.9	G583 F586 T587 W593 T594 F596 C602	G583-A598 VanDerWaalsContact O-CB 3.24Å; G583-A598 WeakPolarHBondContact O-CB 3.45Å; F586-A598 HydrophobicContact CB-CB 3.93Å; T587-A598 WeakPolarHBondContact OG1-CB 3.48Å; W593-A598 HydrophobicContact CE3-CB 4.34Å; T594-A598 PolarHBondContact O-N 2.86Å; F596-A598 VanDerWaalsContact C-N 3.33Å; F596-A598 PolarHBondContact O-N 3.37Å; A598-C602 PolarHBondContact O-N 2.97Å; A598-C602 VanDerWaalsContact O-N 3.14Å; A598-C602 PolarHBondContact O-SG 2.94Å
599	I	95.2	Very high	91	Very high	32 Å²	32	54.9 Å²	54.9	16%	0.164	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-45.5	171.1	-78.4	170.6	0	0	0	110.8	I579 L580 Y595 F596 F601 C602 I603	I579-I599 HydrophobicContact CG2-CG1 4.49Å; I579-I599 HydrophobicContact CG2-CG2 4.08Å; L580-I599 HydrophobicContact CD2-CD1 4.13Å; Y595-I599 HydrophobicContact CD1-CD1 4.06Å; Y595-I599 HydrophobicContact CD2-CD1 4.35Å; Y595-I599 HydrophobicContact CD2-CG1 4.43Å; Y595-I599 HydrophobicContact CE1-CD1 3.57Å; Y595-I599 HydrophobicContact CE2-CD1 3.88Å; Y595-I599 HydrophobicContact CE2-CG1 4.03Å; Y595-I599 HydrophobicContact CG-CD1 4.43Å; Y595-I599 VanDerWaalsContact CZ-CD1 3.48Å; Y595-I599 WeakPolarHBondContact O-CB 3.32Å; Y595-I599 WeakPolarHBondContact O-CG1 3.07Å; Y595-I599 PolarHBondContact O-N 2.89Å; F596-I599 PolarHBondContact O-N 3.38Å; I599-F601 PolarHBondContact O-N 2.96Å; I599-C602 WeakPolarHBondContact O-CB 3.29Å; I599-C602 PolarHBondContact O-N 2.88Å; I599-I603 HydrophobicContact CG2-CD1 3.6Å; I599-I603 HydrophobicContact CG2-CG1 4.31Å; I599-I603 WeakPolarHBondContact O-CG1 3.45Å; I599-I603 PolarHBondContact O-N 3.3Å
600	Y	94.7	Very high	91.2	Very high	66 Å²	66	50.7 Å²	50.7	26%	0.259	26%	0.261	S	S	.	.	H	α-helix	trans	-58.4	-48.4	179	167.9	-92	0	0	0	110.9	F596 D597 C602 I603 I604 F611 D613 M614	F596-Y600 WeakPolarHBondContact O-CB 3.36Å; F596-Y600 PolarHBondContact O-N 3.37Å; D597-Y600 PolarHBondContact O-N 3.47Å; Y600-C602 VanDerWaalsContact C-N 3.34Å; Y600-C602 PolarHBondContact O-N 2.84Å; Y600-I603 PolarHBondContact O-N 3.1Å; Y600-I603 VanDerWaalsContact O-N 3.09Å; Y600-I604 HydrophobicContact CD1-CD1 4.31Å; Y600-I604 HydrophobicContact CD2-CG2 4.1Å; Y600-I604 HydrophobicContact CE1-CD1 3.75Å; Y600-I604 HydrophobicContact CE1-CG1 4.4Å; Y600-I604 HydrophobicContact CE1-CG2 4.26Å; Y600-I604 HydrophobicContact CE2-CG2 3.78Å; Y600-I604 HydrophobicContact CG-CG2 4.48Å; Y600-I604 WeakPolarHBondContact O-CG1 3.43Å; Y600-I604 PolarHBondContact O-N 3.49Å; Y600-F611 WeakPolarHBondContact OH-CD2 3.31Å; Y600-D613 VanDerWaalsContact CE1-OD2 3.23Å; Y600-D613 WeakPolarHBondContact CE1-OD2 3.46Å; Y600-D613 VanDerWaalsContact CZ-OD2 3.3Å; Y600-D613 PolarHBondContact OH-OD2 2.99Å; Y600-M614 HydrophobicContact CD1-CE 3.41Å; Y600-M614 VanDerWaalsContact CD1-CE 3.41Å; Y600-M614 HydrophobicContact CE1-CE 3.77Å; Y600-M614 HydrophobicContact CG-CE 4.42Å
601	F	94.1	Very high	91.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-53.6	-49	173.1	172.9	-107	0	0	0	111.6	Y180 F586 W593 D597 I599 I603 S605 M614 A616 T641	Y180-F601 HydrophobicContact CE1-CE2 4.29Å; Y180-F601 WeakPolarHBondContact OH-CE2 3.45Å; F586-F601 HydrophobicContact CD1-CE1 4.43Å; F586-F601 HydrophobicContact CD2-CD1 4.14Å; F586-F601 HydrophobicContact CD2-CE1 4.32Å; F586-F601 HydrophobicContact CE1-CE1 4Å; F586-F601 HydrophobicContact CE2-CD1 4.12Å; F586-F601 AromaticContact CE2-CE1 3.88Å; F586-F601 HydrophobicContact CE2-CE1 3.88Å; F586-F601 HydrophobicContact CG-CD1 4.43Å; F586-F601 HydrophobicContact CZ-CD1 4.37Å; F586-F601 AromaticContact CZ-CE1 3.73Å; F586-F601 HydrophobicContact CZ-CE1 3.73Å; W593-F601 HydrophobicContact CH2-CB 3.99Å; W593-F601 HydrophobicContact CH2-CD1 4.05Å; W593-F601 AromaticContact CH2-CD2 3.85Å; W593-F601 HydrophobicContact CH2-CD2 3.85Å; W593-F601 HydrophobicContact CH2-CE2 4.38Å; W593-F601 AromaticContact CH2-CG 3.67Å; W593-F601 HydrophobicContact CH2-CG 3.67Å; W593-F601 HydrophobicContact CZ3-CB 3.68Å; W593-F601 AromaticContact CZ3-CD1 3.76Å; W593-F601 HydrophobicContact CZ3-CD1 3.76Å; W593-F601 HydrophobicContact CZ3-CD2 4.29Å; W593-F601 AromaticContact CZ3-CG 3.63Å; W593-F601 HydrophobicContact CZ3-CG 3.63Å; D597-F601 WeakPolarHBondContact O-CB 3.43Å; D597-F601 PolarHBondContact O-N 3.19Å; I599-F601 PolarHBondContact O-N 2.96Å; F601-I603 VanDerWaalsContact C-N 3.33Å; F601-I603 PolarHBondContact O-N 3.35Å; F601-S605 WeakPolarHBondContact O-CB 3.5Å; F601-S605 PolarHBondContact O-N 2.85Å; F601-S605 VanDerWaalsContact O-N 3.08Å; F601-S605 PolarHBondContact O-OG 2.81Å; F601-M614 WeakPolarHBondContact CD2-O 3.49Å; F601-A616 HydrophobicContact CE1-CB 3.85Å; F601-A616 HydrophobicContact CE2-CB 4.46Å; F601-A616 HydrophobicContact CZ-CB 3.76Å; F601-T641 HydrophobicContact CE1-CG2 4.37Å; F601-T641 HydrophobicContact CZ-CG2 4.06Å
602	C	95.2	Very high	91.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.3	-42.4	176.8	-65	0	0	0	0	112.1	I579 A598 I599 Y600 L606 Y644	I579-C602 HydrophobicContact CB-CB 4.31Å; I579-C602 HydrophobicContact CG1-CB 4.26Å; I579-C602 HydrophobicContact CG2-CB 4.04Å; A598-C602 PolarHBondContact O-N 2.97Å; A598-C602 VanDerWaalsContact O-N 3.14Å; A598-C602 PolarHBondContact O-SG 2.94Å; I599-C602 WeakPolarHBondContact O-CB 3.29Å; I599-C602 PolarHBondContact O-N 2.88Å; Y600-C602 VanDerWaalsContact C-N 3.34Å; Y600-C602 PolarHBondContact O-N 2.84Å; C602-L606 WeakPolarHBondContact O-CB 3.46Å; C602-L606 WeakPolarHBondContact O-CG 3.44Å; C602-L606 PolarHBondContact O-N 3.43Å; C602-Y644 WeakPolarHBondContact CB-OH 3.44Å; C602-Y644 PolarHBondContact SG-OH 2.99Å; C602-Y644 VanDerWaalsContact SG-OH 3.38Å
603	I	94.5	Very high	91.9	Very high	80 Å²	80	46.7 Å²	46.7	41%	0.41	24%	0.24	S	C	.	.	H	α-helix	trans	-66.6	-55.6	179.4	-69.9	169.3	0	0	0	111.3	I579 I599 Y600 F601 S605 L606 S607	I579-I603 HydrophobicContact CD1-CG1 4.01Å; I579-I603 HydrophobicContact CG2-CG1 4.03Å; I599-I603 HydrophobicContact CG2-CD1 3.6Å; I599-I603 HydrophobicContact CG2-CG1 4.31Å; I599-I603 WeakPolarHBondContact O-CG1 3.45Å; I599-I603 PolarHBondContact O-N 3.3Å; Y600-I603 PolarHBondContact O-N 3.1Å; Y600-I603 VanDerWaalsContact O-N 3.09Å; F601-I603 VanDerWaalsContact C-N 3.33Å; F601-I603 PolarHBondContact O-N 3.35Å; I603-S605 PolarHBondContact O-N 3.2Å; I603-L606 PolarHBondContact O-N 3.19Å; I603-S607 VanDerWaalsContact O-CB 3.28Å; I603-S607 WeakPolarHBondContact O-CB 3.5Å; I603-S607 PolarHBondContact O-N 2.86Å; I603-S607 PolarHBondContact O-OG 3.38Å
604	I	93.8	Very high	91.9	Very high	8 Å²	8	47 Å²	47	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-63.6	-27.9	-176.4	66.2	164.8	0	0	0	112	Y600 A608 V609 G610 F611	Y600-I604 HydrophobicContact CD1-CD1 4.31Å; Y600-I604 HydrophobicContact CD2-CG2 4.1Å; Y600-I604 HydrophobicContact CE1-CD1 3.75Å; Y600-I604 HydrophobicContact CE1-CG1 4.4Å; Y600-I604 HydrophobicContact CE1-CG2 4.26Å; Y600-I604 HydrophobicContact CE2-CG2 3.78Å; Y600-I604 HydrophobicContact CG-CG2 4.48Å; Y600-I604 WeakPolarHBondContact O-CG1 3.43Å; Y600-I604 PolarHBondContact O-N 3.49Å; I604-A608 PolarHBondContact O-N 2.84Å; I604-V609 HydrophobicContact CB-CB 4.41Å; I604-V609 PolarHBondContact O-N 3.35Å; I604-G610 PolarHBondContact O-N 3.01Å; I604-F611 HydrophobicContact CD1-CB 4.3Å; I604-F611 HydrophobicContact CD1-CD2 4.4Å; I604-F611 HydrophobicContact CG2-CD2 4.07Å; I604-F611 HydrophobicContact CG2-CE2 4.3Å
605	S	94.8	Very high	91.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-80.3	-48.6	179.6	-51.6	0	0	0	0	112	I178 Y180 F601 I603 S607 A608	I178-S605 VanDerWaalsContact CD1-O 3.31Å; I178-S605 WeakPolarHBondContact CD1-O 3.02Å; I178-S605 WeakPolarHBondContact CG1-O 3.39Å; Y180-S605 WeakPolarHBondContact OH-CB 3.43Å; Y180-S605 PolarHBondContact OH-OG 3.42Å; F601-S605 WeakPolarHBondContact O-CB 3.5Å; F601-S605 PolarHBondContact O-N 2.85Å; F601-S605 VanDerWaalsContact O-N 3.08Å; F601-S605 PolarHBondContact O-OG 2.81Å; I603-S605 PolarHBondContact O-N 3.2Å; S605-S607 VanDerWaalsContact C-N 3.34Å; S605-S607 PolarHBondContact O-N 2.9Å; S605-A608 PolarHBondContact O-N 3.5Å; S605-A608 VanDerWaalsContact O-N 3.13Å
606	L	94.7	Very high	90.9	Very high	9 Å²	9	38.9 Å²	38.9	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-78.4	-16.7	-178.3	-61.6	-165.6	0	0	0	114	S578 C602 I603 A608 Y644 L645 I652	S578-L606 WeakPolarHBondContact O-CD1 3.37Å; C602-L606 WeakPolarHBondContact O-CB 3.46Å; C602-L606 WeakPolarHBondContact O-CG 3.44Å; C602-L606 PolarHBondContact O-N 3.43Å; I603-L606 PolarHBondContact O-N 3.19Å; L606-A608 VanDerWaalsContact C-N 3.34Å; L606-Y644 HydrophobicContact CD1-CE2 4.23Å; L606-Y644 WeakPolarHBondContact CD1-OH 3.42Å; L606-Y644 HydrophobicContact CD2-CE1 4.36Å; L606-L645 HydrophobicContact CD2-CD2 4.22Å; L606-I652 HydrophobicContact CB-CG1 4.09Å
607	S	92.9	Very high	89.9	Confident	66 Å²	66	32 Å²	32	46%	0.462	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-3.8	166.5	61	0	0	0	0	113.9	I603 S605 V609	I603-S607 VanDerWaalsContact O-CB 3.28Å; I603-S607 WeakPolarHBondContact O-CB 3.5Å; I603-S607 PolarHBondContact O-N 2.86Å; I603-S607 PolarHBondContact O-OG 3.38Å; S605-S607 VanDerWaalsContact C-N 3.34Å; S605-S607 PolarHBondContact O-N 2.9Å; S607-V609 VanDerWaalsContact C-N 3.28Å; S607-V609 PolarHBondContact O-N 2.92Å; S607-V609 WeakPolarHBondContact OG-CG2 3.42Å
608	A	93	Very high	88.8	Confident	38 Å²	38	32.9 Å²	32.9	31%	0.314	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	37.1	-175	0	0	0	0	0	114.2	I178 I604 S605 L606	I178-A608 HydrophobicContact CG1-CB 4.18Å; I604-A608 PolarHBondContact O-N 2.84Å; S605-A608 PolarHBondContact O-N 3.5Å; S605-A608 VanDerWaalsContact O-N 3.13Å; L606-A608 VanDerWaalsContact C-N 3.34Å
609	V	93.3	Very high	87.2	Confident	72 Å²	72	35.9 Å²	35.9	44%	0.436	20%	0.198	S	C	.	.			trans	-85.5	-39	170.6	173.2	0	0	0	0	111.1	I604 S607 F611	I604-V609 HydrophobicContact CB-CB 4.41Å; I604-V609 PolarHBondContact O-N 3.35Å; S607-V609 VanDerWaalsContact C-N 3.28Å; S607-V609 PolarHBondContact O-N 2.92Å; S607-V609 WeakPolarHBondContact OG-CG2 3.42Å; V609-F611 HydrophobicContact CG1-CD1 4.17Å; V609-F611 HydrophobicContact CG1-CD2 3.99Å; V609-F611 HydrophobicContact CG1-CE1 3.73Å; V609-F611 HydrophobicContact CG1-CE2 3.53Å; V609-F611 HydrophobicContact CG1-CG 4.29Å; V609-F611 HydrophobicContact CG1-CZ 3.39Å; V609-F611 PolarHBondContact O-N 2.7Å
610	G	89.5	Confident	85.3	Confident	7 Å²	7	41.9 Å²	41.9	7%	0.072	22%	0.223	C	C	.	.			trans	54.3	49.9	160.7	0	0	0	0	0	117.3	I178 Y180 I604 G612	I178-G610 WeakPolarHBondContact O-CA 3.32Å; Y180-G610 WeakPolarHBondContact CA-O 3.07Å; I604-G610 PolarHBondContact O-N 3.01Å; G610-G612 VanDerWaalsContact C-N 3.28Å; G610-G612 PolarHBondContact O-N 2.81Å
611	F	88.1	Confident	83.2	Confident	132 Å²	132	44 Å²	44	58%	0.579	24%	0.239	S	C	*	.			trans	-62	-26.4	-177.9	-66.3	-54.1	0	0	0	115.7	Y600 I604 V609 D613	Y600-F611 WeakPolarHBondContact OH-CD2 3.31Å; I604-F611 HydrophobicContact CD1-CB 4.3Å; I604-F611 HydrophobicContact CD1-CD2 4.4Å; I604-F611 HydrophobicContact CG2-CD2 4.07Å; I604-F611 HydrophobicContact CG2-CE2 4.3Å; V609-F611 HydrophobicContact CG1-CD1 4.17Å; V609-F611 HydrophobicContact CG1-CD2 3.99Å; V609-F611 HydrophobicContact CG1-CE1 3.73Å; V609-F611 HydrophobicContact CG1-CE2 3.53Å; V609-F611 HydrophobicContact CG1-CG 4.29Å; V609-F611 HydrophobicContact CG1-CZ 3.39Å; V609-F611 PolarHBondContact O-N 2.7Å; F611-D613 PolarHBondContact O-N 2.89Å
612	G	84.8	Confident	81.2	Confident	5 Å²	5	49.2 Å²	49.2	5%	0.052	28%	0.275	C	S	.	.			trans	70.5	8.8	178.2	0	0	0	0	0	115.5	Y180 T182 G610 M614	Y180-G612 WeakPolarHBondContact O-CA 3.39Å; T182-G612 WeakPolarHBondContact CG2-O 3.46Å; G610-G612 VanDerWaalsContact C-N 3.28Å; G610-G612 PolarHBondContact O-N 2.81Å; G612-M614 VanDerWaalsContact C-N 3.35Å
613	D	82.2	Confident	78.9	Confident	67 Å²	67	53.4 Å²	53.4	36%	0.358	31%	0.305	S	S	.	.	S	Bend	trans	-59.3	-45.7	166.1	53.8	-14.3	0	0	0	111.3	Y600 F611	Y600-D613 VanDerWaalsContact CE1-OD2 3.23Å; Y600-D613 WeakPolarHBondContact CE1-OD2 3.46Å; Y600-D613 VanDerWaalsContact CZ-OD2 3.3Å; Y600-D613 PolarHBondContact OH-OD2 2.99Å; F611-D613 PolarHBondContact O-N 2.89Å
614	M	83.3	Confident	76.5	Confident	39 Å²	39	56.2 Å²	56.2	19%	0.192	33%	0.325	C	S	.	.	S	Bend	trans	-125.6	126.8	174.8	-65.6	-166.4	-66.2	0	0	111.4	W593 D597 Y600 F601 G612	W593-M614 HydrophobicContact CH2-CB 4.32Å; W593-M614 HydrophobicContact CZ2-CB 3.84Å; D597-M614 HydrophobicContact CB-CE 3.68Å; D597-M614 HydrophobicContact CB-SD 3.98Å; Y600-M614 HydrophobicContact CD1-CE 3.41Å; Y600-M614 VanDerWaalsContact CD1-CE 3.41Å; Y600-M614 HydrophobicContact CE1-CE 3.77Å; Y600-M614 HydrophobicContact CG-CE 4.42Å; F601-M614 WeakPolarHBondContact CD2-O 3.49Å; G612-M614 VanDerWaalsContact C-N 3.35Å
615	V	84.3	Confident	74.5	Confident	2 Å²	2	60 Å²	60	1%	0.012	35%	0.352	C	S	.	.			trans	-135.1	121.3	176.1	-171.5	0	0	0	0	109.3	F169 Y180 T182 S617 E618	F169-V615 HydrophobicContact CE1-CG1 3.54Å; F169-V615 HydrophobicContact CZ-CG1 3.69Å; Y180-V615 HydrophobicContact CD1-CG2 4.31Å; Y180-V615 HydrophobicContact CD2-CG1 4.34Å; Y180-V615 HydrophobicContact CD2-CG2 4.39Å; Y180-V615 HydrophobicContact CE2-CG1 4.28Å; Y180-V615 HydrophobicContact CG-CG2 4.13Å; T182-V615 HydrophobicContact CG2-CG2 3.83Å; V615-S617 PolarHBondContact O-N 3.38Å; V615-E618 WeakPolarHBondContact O-CB 3.41Å; V615-E618 PolarHBondContact O-N 3.16Å
616	A	80.9	Confident	72.7	Confident	0 Å²	0	64 Å²	64	0%	0	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	126.7	177.6	0	0	0	0	0	111.2	F586 W593 F601 Y637 R638 T641	F586-A616 HydrophobicContact CD1-CB 4.02Å; F586-A616 HydrophobicContact CE1-CB 3.71Å; W593-A616 HydrophobicContact CH2-CB 4.04Å; W593-A616 HydrophobicContact CZ3-CB 4.49Å; F601-A616 HydrophobicContact CE1-CB 3.85Å; F601-A616 HydrophobicContact CE2-CB 4.46Å; F601-A616 HydrophobicContact CZ-CB 3.76Å; A616-Y637 WeakPolarHBondContact CB-OH 3.21Å; A616-R638 PolarHBondContact O-NH1 2.73Å; A616-T641 HydrophobicContact CB-CG2 4Å
617	S	74	Confident	71.1	Confident	5 Å²	5	68.1 Å²	68.1	4%	0.035	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	15	-171.8	-167.6	0	0	0	0	117.5	E590 V615 K634	E590-S617 WeakPolarHBondContact OE1-CA 3.26Å; E590-S617 PolarHBondContact OE1-N 3.43Å; V615-S617 PolarHBondContact O-N 3.38Å; S617-K634 WeakPolarHBondContact OG-CG 3.28Å
618	E	68.8	Low	69.5	Low	63 Å²	63	70.4 Å²	70.4	29%	0.294	41%	0.413	S	S	.	.			trans	-86.4	-11.5	169.9	-162.7	178.5	143.4	0	0	113.9	K105 V615 K620	K105-E618 IonicContact NZ-OE1 3.6Å; K105-E618 PolarHBondContact NZ-OE1 3.46Å; K105-E618 IonicContact NZ-OE2 2.67Å; V615-E618 WeakPolarHBondContact O-CB 3.41Å; V615-E618 PolarHBondContact O-N 3.16Å; E618-K620 WeakPolarHBondContact O-CG 3.13Å
619	S	60.2	Low	67.8	Low	62 Å²	62	72.5 Å²	72.5	43%	0.434	42%	0.421	S	S	.	.			trans	-56.2	135.8	-177.7	43.2	0	0	0	0	113.1	E590	E590-S619 VanDerWaalsContact OE2-CB 3.24Å; E590-S619 WeakPolarHBondContact OE2-CB 3.1Å; E590-S619 PolarHBondContact OE2-OG 2.86Å
620	K	54.2	Low	66.6	Low	158 Å²	158	72.4 Å²	72.4	69%	0.687	42%	0.418	S	S	*	.			trans	-108.6	3.4	-165.9	-70.5	-173.7	178.9	173.1	0	115.4	E618 S622	E618-K620 WeakPolarHBondContact O-CG 3.13Å; K620-S622 PolarHBondContact O-N 2.79Å; K620-S622 PolarHBondContact O-OG 3.39Å
621	D	51.6	Low	65.4	Low	110 Å²	110	73.2 Å²	73.2	59%	0.588	42%	0.42	S	S	*	.			trans	-65.8	99.9	-176.5	-75.2	-49.8	0	0	0	111.3	N592 S623	N592-D621 PolarHBondContact ND2-OD2 2.89Å; D621-S623 PolarHBondContact O-N 3.12Å
622	S	50.7	Low	64.6	Low	110 Å²	110	74.7 Å²	74.7	77%	0.769	42%	0.423	S	S	*	.			trans	-88.4	19.8	-172	-57.7	0	0	0	0	111.9	K620	K620-S622 PolarHBondContact O-N 2.79Å; K620-S622 PolarHBondContact O-OG 3.39Å
623	S	47.4	Very low	64.3	Low	88 Å²	88	78.6 Å²	78.6	62%	0.615	45%	0.446	S	S	*	.			trans	-92.1	107	-172.6	38.3	0	0	0	0	112.1	D621	D621-S623 PolarHBondContact O-N 3.12Å
624	V	44.6	Very low	64	Low	139 Å²	139	77.5 Å²	77.5	84%	0.842	44%	0.438	S	S	*	.	S	Bend	trans	71.9	67.4	160	-158.9	0	0	0	0	116.6
625	S	51.3	Low	64	Low	87 Å²	87	77.2 Å²	77.2	61%	0.608	44%	0.437	S	S	*	.	S	Bend	trans	-160.2	164.1	147.2	-98.5	0	0	0	0	113.1	I627 I630	S625-I627 PolarHBondContact O-N 2.89Å; S625-I630 WeakPolarHBondContact O-CD1 3.38Å
626	S	57.8	Low	64	Low	84 Å²	84	80.4 Å²	80.4	59%	0.587	45%	0.453	S	S	*	.			trans	-58.1	121	177.7	-62.5	0	0	0	0	111.3	V628 T629 I630	S626-V628 VanDerWaalsContact C-N 3.31Å; S626-V628 PolarHBondContact O-N 3.13Å; S626-V628 VanDerWaalsContact O-N 3.17Å; S626-T629 WeakPolarHBondContact O-CA 3.31Å; S626-T629 WeakPolarHBondContact O-CB 3.33Å; S626-T629 PolarHBondContact O-N 3.33Å; S626-I630 PolarHBondContact O-N 2.9Å
627	I	61.2	Low	64.2	Low	96 Å²	96	81.8 Å²	81.8	49%	0.492	46%	0.459	S	S	.	.	H	α-helix	trans	-47.4	-50.2	-174.1	-63	168.8	0	0	0	112	N158 S625 T629 I630 L631	N158-I627 VanDerWaalsContact OD1-CG2 3.26Å; N158-I627 WeakPolarHBondContact OD1-CG2 3.45Å; S625-I627 PolarHBondContact O-N 2.89Å; I627-T629 VanDerWaalsContact C-N 3.3Å; I627-T629 PolarHBondContact O-N 3.17Å; I627-I630 PolarHBondContact O-N 3.4Å; I627-L631 HydrophobicContact CG2-CD1 4.11Å; I627-L631 HydrophobicContact CG2-CG 4.38Å; I627-L631 WeakPolarHBondContact O-CG 3.2Å; I627-L631 PolarHBondContact O-N 2.78Å
628	V	58	Low	64.9	Low	115 Å²	115	82.4 Å²	82.4	70%	0.697	46%	0.461	S	S	*	.	H	α-helix	trans	-59.4	-38.8	180	-177.7	0	0	0	0	112.4	S626 Y632	S626-V628 VanDerWaalsContact C-N 3.31Å; S626-V628 PolarHBondContact O-N 3.13Å; S626-V628 VanDerWaalsContact O-N 3.17Å; V628-Y632 WeakPolarHBondContact O-CB 3.5Å; V628-Y632 PolarHBondContact O-N 3.32Å
629	T	58.7	Low	65.7	Low	81 Å²	81	81.7 Å²	81.7	50%	0.497	46%	0.46	S	S	.	.	H	α-helix	trans	-68.4	-44.9	177.3	-50.2	0	0	0	0	111	S626 I627 L631 Y632 V633	S626-T629 WeakPolarHBondContact O-CA 3.31Å; S626-T629 WeakPolarHBondContact O-CB 3.33Å; S626-T629 PolarHBondContact O-N 3.33Å; I627-T629 VanDerWaalsContact C-N 3.3Å; I627-T629 PolarHBondContact O-N 3.17Å; T629-L631 VanDerWaalsContact C-N 3.34Å; T629-L631 PolarHBondContact O-N 3.44Å; T629-Y632 PolarHBondContact O-N 3.18Å; T629-V633 WeakPolarHBondContact O-CB 3.27Å; T629-V633 WeakPolarHBondContact O-CG2 3.48Å; T629-V633 PolarHBondContact O-N 3.14Å
630	I	66.7	Low	67.1	Low	70 Å²	70	84 Å²	84	36%	0.359	47%	0.466	S	S	.	.	H	α-helix	trans	-57.3	-48.9	175.7	-62.3	176.4	0	0	0	109.7	S625 S626 I627 Y632 V633 K634	S625-I630 WeakPolarHBondContact O-CD1 3.38Å; S626-I630 PolarHBondContact O-N 2.9Å; I627-I630 PolarHBondContact O-N 3.4Å; I630-Y632 PolarHBondContact O-N 3.24Å; I630-V633 PolarHBondContact O-N 3.27Å; I630-K634 WeakPolarHBondContact O-CB 3.17Å; I630-K634 PolarHBondContact O-N 2.98Å
631	L	65.8	Low	68.9	Low	25 Å²	25	76.6 Å²	76.6	13%	0.131	43%	0.434	C	S	.	.	H	α-helix	trans	-64.4	-41	180	-62.4	180	0	0	0	113.2	M157 N158 I627 T629 K634 N635	M157-L631 HydrophobicContact CB-CD1 4.41Å; M157-L631 WeakPolarHBondContact O-CD1 3.19Å; N158-L631 HydrophobicContact CB-CD2 4.37Å; N158-L631 WeakPolarHBondContact OD1-CD1 3.33Å; I627-L631 HydrophobicContact CG2-CD1 4.11Å; I627-L631 HydrophobicContact CG2-CG 4.38Å; I627-L631 WeakPolarHBondContact O-CG 3.2Å; I627-L631 PolarHBondContact O-N 2.78Å; T629-L631 VanDerWaalsContact C-N 3.34Å; T629-L631 PolarHBondContact O-N 3.44Å; L631-K634 PolarHBondContact O-N 3.28Å; L631-N635 VanDerWaalsContact O-CB 3.28Å; L631-N635 WeakPolarHBondContact O-CB 3.39Å; L631-N635 PolarHBondContact O-N 3.06Å; L631-N635 PolarHBondContact O-ND2 3.35Å
632	Y	70.4	Confident	70.8	Confident	162 Å²	162	71.5 Å²	71.5	64%	0.635	41%	0.406	S	S	*	.	H	α-helix	trans	-63.5	-44	177.9	-175.4	-107.4	0	0	0	111.5	V628 T629 I630 I636	V628-Y632 WeakPolarHBondContact O-CB 3.5Å; V628-Y632 PolarHBondContact O-N 3.32Å; T629-Y632 PolarHBondContact O-N 3.18Å; I630-Y632 PolarHBondContact O-N 3.24Å; Y632-I636 HydrophobicContact CD1-CD1 3.92Å; Y632-I636 HydrophobicContact CD2-CD1 4.45Å; Y632-I636 HydrophobicContact CE1-CD1 3.42Å; Y632-I636 VanDerWaalsContact CE1-CD1 3.42Å; Y632-I636 HydrophobicContact CE2-CD1 4.01Å; Y632-I636 HydrophobicContact CG-CD1 4.41Å; Y632-I636 VanDerWaalsContact CZ-CD1 3.47Å; Y632-I636 WeakPolarHBondContact O-CG1 3.39Å; Y632-I636 PolarHBondContact O-N 3.33Å
633	V	77.8	Confident	72.8	Confident	87 Å²	87	70.1 Å²	70.1	53%	0.527	39%	0.39	S	S	.	.	H	α-helix	trans	-64.5	-48.5	175.3	173.1	0	0	0	0	111	T629 I630 N635 I636 Y637	T629-V633 WeakPolarHBondContact O-CB 3.27Å; T629-V633 WeakPolarHBondContact O-CG2 3.48Å; T629-V633 PolarHBondContact O-N 3.14Å; I630-V633 PolarHBondContact O-N 3.27Å; V633-N635 PolarHBondContact O-N 2.94Å; V633-I636 PolarHBondContact O-N 2.91Å; V633-Y637 WeakPolarHBondContact O-CB 3.44Å; V633-Y637 PolarHBondContact O-N 3.47Å
634	K	77.6	Confident	75	Confident	45 Å²	45	67.5 Å²	67.5	20%	0.196	37%	0.366	C	S	.	.	H	α-helix	trans	-54.5	-49.1	177.2	-169.1	-177	179.3	175.3	0	111.8	N158 S617 I630 L631 Y637 R638	N158-K634 PolarHBondContact O-NZ 3.37Å; S617-K634 WeakPolarHBondContact OG-CG 3.28Å; I630-K634 WeakPolarHBondContact O-CB 3.17Å; I630-K634 PolarHBondContact O-N 2.98Å; L631-K634 PolarHBondContact O-N 3.28Å; K634-Y637 PolarHBondContact O-N 3.38Å; K634-R638 PolarHBondContact O-N 3.27Å
635	N	82.1	Confident	77.4	Confident	33 Å²	33	60.9 Å²	60.9	18%	0.176	33%	0.326	C	S	.	.	H	α-helix	trans	-66.4	-42.2	-179.7	-71.5	-32	0	0	0	112.7	Y165 L631 V633 Y637 V639	Y165-N635 HydrophobicContact CD1-CB 4.1Å; Y165-N635 HydrophobicContact CD2-CB 3.67Å; Y165-N635 VanDerWaalsContact CD2-OD1 3.31Å; Y165-N635 WeakPolarHBondContact CD2-OD1 3.18Å; Y165-N635 HydrophobicContact CE1-CB 4.3Å; Y165-N635 HydrophobicContact CE2-CB 3.9Å; Y165-N635 HydrophobicContact CG-CB 3.77Å; L631-N635 VanDerWaalsContact O-CB 3.28Å; L631-N635 WeakPolarHBondContact O-CB 3.39Å; L631-N635 PolarHBondContact O-N 3.06Å; L631-N635 PolarHBondContact O-ND2 3.35Å; V633-N635 PolarHBondContact O-N 2.94Å; N635-Y637 VanDerWaalsContact C-N 3.35Å; N635-V639 WeakPolarHBondContact O-CG2 3.39Å; N635-V639 PolarHBondContact O-N 3.32Å
636	I	83.8	Confident	79.5	Confident	68 Å²	68	57.4 Å²	57.4	35%	0.349	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-45.3	173.1	-74.8	175.1	0	0	0	110.4	Y632 V633 R638 V639 M640	Y632-I636 HydrophobicContact CD1-CD1 3.92Å; Y632-I636 HydrophobicContact CD2-CD1 4.45Å; Y632-I636 HydrophobicContact CE1-CD1 3.42Å; Y632-I636 VanDerWaalsContact CE1-CD1 3.42Å; Y632-I636 HydrophobicContact CE2-CD1 4.01Å; Y632-I636 HydrophobicContact CG-CD1 4.41Å; Y632-I636 VanDerWaalsContact CZ-CD1 3.47Å; Y632-I636 WeakPolarHBondContact O-CG1 3.39Å; Y632-I636 PolarHBondContact O-N 3.33Å; V633-I636 PolarHBondContact O-N 2.91Å; I636-R638 PolarHBondContact O-N 3Å; I636-V639 CarbonylContact O-C 3.6Å; I636-V639 PolarHBondContact O-N 2.76Å; I636-V639 VanDerWaalsContact O-N 3.1Å; I636-M640 HydrophobicContact CG2-CE 4.13Å; I636-M640 HydrophobicContact CG2-CG 4.05Å; I636-M640 WeakPolarHBondContact O-CG 3.2Å; I636-M640 PolarHBondContact O-N 2.91Å
637	Y	86.7	Confident	81.2	Confident	30 Å²	30	57.7 Å²	57.7	12%	0.118	30%	0.296	C	S	.	.	H	α-helix	trans	-64.8	-39.5	-176.9	175.3	-138.9	0	0	0	112.7	F586 L589 E590 A616 V633 K634 N635 V639 M640 T641	F586-Y637 HydrophobicContact CD1-CE2 4.19Å; F586-Y637 WeakPolarHBondContact CD1-OH 3.4Å; F586-Y637 AromaticContact CE1-CE2 3.94Å; F586-Y637 HydrophobicContact CE1-CE2 3.94Å; L589-Y637 HydrophobicContact CB-CE2 4.21Å; L589-Y637 HydrophobicContact CD1-CD2 3.99Å; L589-Y637 HydrophobicContact CD1-CE2 3.55Å; L589-Y637 HydrophobicContact CG-CE2 4.5Å; E590-Y637 WeakPolarHBondContact CG-OH 3.41Å; E590-Y637 WeakPolarHBondContact OE1-CE1 3.27Å; E590-Y637 PolarHBondContact OE1-OH 2.91Å; A616-Y637 WeakPolarHBondContact CB-OH 3.21Å; V633-Y637 WeakPolarHBondContact O-CB 3.44Å; V633-Y637 PolarHBondContact O-N 3.47Å; K634-Y637 PolarHBondContact O-N 3.38Å; N635-Y637 VanDerWaalsContact C-N 3.35Å; Y637-V639 PolarHBondContact O-N 3.25Å; Y637-M640 PolarHBondContact O-N 3.42Å; Y637-T641 WeakPolarHBondContact O-CB 3.44Å; Y637-T641 PolarHBondContact O-N 3.47Å; Y637-T641 PolarHBondContact O-OG1 3.02Å
638	R	87.1	Confident	82.8	Confident	18 Å²	18	53.2 Å²	53.2	7%	0.068	27%	0.274	C	S	.	.	H	α-helix	trans	-56.9	-46.4	167.5	-75.8	-71.9	-158.6	-155.8	13	112.1	E166 A616 K634 I636 T641 A642	E166-R638 VanDerWaalsContact CD-NH2 3.25Å; E166-R638 IonicContact OE1-CZ 3.61Å; E166-R638 VanDerWaalsContact OE1-CZ 3.26Å; E166-R638 IonicContact OE1-NE 3.86Å; E166-R638 PolarHBondContact OE1-NE 3.13Å; E166-R638 IonicContact OE1-NH2 3.68Å; E166-R638 PolarHBondContact OE1-NH2 2.76Å; E166-R638 IonicContact OE2-CZ 2.72Å; E166-R638 IonicContact OE2-NE 3.17Å; E166-R638 PolarHBondContact OE2-NE 3.19Å; E166-R638 IonicContact OE2-NH2 3.73Å; E166-R638 PolarHBondContact OE2-NH2 3.37Å; A616-R638 PolarHBondContact O-NH1 2.73Å; K634-R638 PolarHBondContact O-N 3.27Å; I636-R638 PolarHBondContact O-N 3Å; R638-T641 PolarHBondContact O-N 3.06Å; R638-A642 PolarHBondContact O-N 2.92Å
639	V	86.9	Confident	84.4	Confident	47 Å²	47	48.7 Å²	48.7	29%	0.285	25%	0.246	S	C	.	.	H	α-helix	trans	-65.5	-42.5	178.6	172.1	0	0	0	0	111.8	Y165 N635 I636 Y637 T641 A642 I643	Y165-V639 HydrophobicContact CD1-CG2 3.83Å; Y165-V639 HydrophobicContact CE1-CG2 4.5Å; N635-V639 WeakPolarHBondContact O-CG2 3.39Å; N635-V639 PolarHBondContact O-N 3.32Å; I636-V639 CarbonylContact O-C 3.6Å; I636-V639 PolarHBondContact O-N 2.76Å; I636-V639 VanDerWaalsContact O-N 3.1Å; Y637-V639 PolarHBondContact O-N 3.25Å; V639-T641 VanDerWaalsContact C-N 3.33Å; V639-T641 PolarHBondContact O-N 2.85Å; V639-A642 WeakPolarHBondContact O-CB 3.26Å; V639-A642 PolarHBondContact O-N 3.01Å; V639-I643 HydrophobicContact CG1-CD1 4Å; V639-I643 WeakPolarHBondContact O-CG1 3.38Å; V639-I643 PolarHBondContact O-N 2.9Å
640	M	89.5	Confident	86.1	Confident	112 Å²	112	45.1 Å²	45.1	55%	0.552	23%	0.225	S	C	*	.	H	α-helix	trans	-64.6	-38.3	176.1	-65.7	-60	165.6	0	0	111.7	I636 Y637 I643 Y644	I636-M640 HydrophobicContact CG2-CE 4.13Å; I636-M640 HydrophobicContact CG2-CG 4.05Å; I636-M640 WeakPolarHBondContact O-CG 3.2Å; I636-M640 PolarHBondContact O-N 2.91Å; Y637-M640 PolarHBondContact O-N 3.42Å; M640-I643 PolarHBondContact O-N 3.32Å; M640-I643 HydrophobicContact SD-CD1 4.26Å; M640-Y644 WeakPolarHBondContact O-CB 3.38Å; M640-Y644 PolarHBondContact O-N 2.84Å
641	T	91.6	Very high	87.4	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-44.7	172.3	-54.8	0	0	0	0	110.7	F169 F586 F601 A616 Y637 R638 V639 I643 Y644 L645	F169-T641 HydrophobicContact CE2-CG2 3.74Å; F169-T641 HydrophobicContact CZ-CG2 4.29Å; F586-T641 HydrophobicContact CE1-CG2 4.37Å; F586-T641 HydrophobicContact CZ-CG2 4.27Å; F601-T641 HydrophobicContact CE1-CG2 4.37Å; F601-T641 HydrophobicContact CZ-CG2 4.06Å; A616-T641 HydrophobicContact CB-CG2 4Å; Y637-T641 WeakPolarHBondContact O-CB 3.44Å; Y637-T641 PolarHBondContact O-N 3.47Å; Y637-T641 PolarHBondContact O-OG1 3.02Å; R638-T641 PolarHBondContact O-N 3.06Å; V639-T641 VanDerWaalsContact C-N 3.33Å; V639-T641 PolarHBondContact O-N 2.85Å; T641-I643 VanDerWaalsContact C-N 3.33Å; T641-I643 PolarHBondContact O-N 3.4Å; T641-Y644 WeakPolarHBondContact O-CB 3.44Å; T641-Y644 PolarHBondContact O-N 3.31Å; T641-Y644 VanDerWaalsContact O-N 3.14Å; T641-L645 WeakPolarHBondContact O-CG 3.5Å; T641-L645 PolarHBondContact O-N 3.03Å
642	A	91.8	Very high	88.7	Confident	2 Å²	2	45.3 Å²	45.3	2%	0.017	23%	0.226	C	C	.	.	H	α-helix	trans	-60.4	-40.6	176.5	0	0	0	0	0	112.7	F169 I172 R638 V639 L645 V646	F169-A642 HydrophobicContact CD2-CB 4.03Å; I172-A642 HydrophobicContact CB-CB 4.43Å; I172-A642 HydrophobicContact CD1-CB 3.7Å; I172-A642 HydrophobicContact CG2-CB 4.19Å; R638-A642 PolarHBondContact O-N 2.92Å; V639-A642 WeakPolarHBondContact O-CB 3.26Å; V639-A642 PolarHBondContact O-N 3.01Å; A642-L645 PolarHBondContact O-N 3.26Å; A642-V646 PolarHBondContact O-N 2.89Å
643	I	92.5	Very high	89.7	Confident	82 Å²	82	38.5 Å²	38.5	42%	0.421	20%	0.203	S	C	.	.	H	α-helix	trans	-63.5	-44	173.7	-68	164.5	0	0	0	110.6	V639 M640 T641 L645 V646 L647	V639-I643 HydrophobicContact CG1-CD1 4Å; V639-I643 WeakPolarHBondContact O-CG1 3.38Å; V639-I643 PolarHBondContact O-N 2.9Å; M640-I643 PolarHBondContact O-N 3.32Å; M640-I643 HydrophobicContact SD-CD1 4.26Å; T641-I643 VanDerWaalsContact C-N 3.33Å; T641-I643 PolarHBondContact O-N 3.4Å; I643-L645 VanDerWaalsContact C-N 3.33Å; I643-L645 PolarHBondContact O-N 3.05Å; I643-V646 PolarHBondContact O-N 2.86Å; I643-L647 HydrophobicContact CG2-CD1 3.78Å; I643-L647 HydrophobicContact CG2-CG 4.3Å; I643-L647 WeakPolarHBondContact O-CG 3.28Å; I643-L647 PolarHBondContact O-N 3.13Å
644	Y	94.6	Very high	90.4	Very high	32 Å²	32	34.5 Å²	34.5	13%	0.125	18%	0.179	C	C	.	.	H	α-helix	trans	-57.7	-42.1	174.7	160.1	-105.9	0	0	0	112.3	S578 P582 F586 C602 L606 M640 T641 V646 L647 G648	S578-Y644 WeakPolarHBondContact O-CE2 3.3Å; S578-Y644 PolarHBondContact O-OH 3.38Å; P582-Y644 HydrophobicContact CB-CD2 4.36Å; P582-Y644 HydrophobicContact CB-CE2 3.7Å; P582-Y644 HydrophobicContact CG-CD2 4.25Å; P582-Y644 HydrophobicContact CG-CE2 3.62Å; F586-Y644 AromaticContact CE2-CD1 3.95Å; F586-Y644 HydrophobicContact CE2-CD1 3.95Å; F586-Y644 AromaticContact CE2-CE1 3.76Å; F586-Y644 HydrophobicContact CE2-CE1 3.76Å; F586-Y644 AromaticContact CZ-CD1 3.87Å; F586-Y644 HydrophobicContact CZ-CD1 3.87Å; F586-Y644 HydrophobicContact CZ-CE1 4.12Å; C602-Y644 WeakPolarHBondContact CB-OH 3.44Å; C602-Y644 PolarHBondContact SG-OH 2.99Å; C602-Y644 VanDerWaalsContact SG-OH 3.38Å; L606-Y644 HydrophobicContact CD1-CE2 4.23Å; L606-Y644 WeakPolarHBondContact CD1-OH 3.42Å; L606-Y644 HydrophobicContact CD2-CE1 4.36Å; M640-Y644 WeakPolarHBondContact O-CB 3.38Å; M640-Y644 PolarHBondContact O-N 2.84Å; T641-Y644 WeakPolarHBondContact O-CB 3.44Å; T641-Y644 PolarHBondContact O-N 3.31Å; T641-Y644 VanDerWaalsContact O-N 3.14Å; Y644-V646 PolarHBondContact O-N 2.91Å; Y644-L647 PolarHBondContact O-N 3.36Å; Y644-G648 WeakPolarHBondContact O-CA 3.46Å; Y644-G648 PolarHBondContact O-N 3Å
645	L	94.7	Very high	91.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.6	-40.3	178.7	-63.8	177.9	0	0	0	112.5	F169 T173 I178 Y180 L606 T641 A642 I643 T649	F169-L645 HydrophobicContact CE2-CD1 4.14Å; F169-L645 HydrophobicContact CZ-CD1 4.26Å; T173-L645 HydrophobicContact CG2-CD1 3.74Å; I178-L645 HydrophobicContact CD1-CB 4.04Å; I178-L645 HydrophobicContact CD1-CD1 4.05Å; I178-L645 HydrophobicContact CD1-CD2 4.02Å; I178-L645 HydrophobicContact CD1-CG 4.24Å; Y180-L645 HydrophobicContact CE2-CD1 4.14Å; Y180-L645 WeakPolarHBondContact OH-CD1 3.36Å; L606-L645 HydrophobicContact CD2-CD2 4.22Å; T641-L645 WeakPolarHBondContact O-CG 3.5Å; T641-L645 PolarHBondContact O-N 3.03Å; A642-L645 PolarHBondContact O-N 3.26Å; I643-L645 VanDerWaalsContact C-N 3.33Å; I643-L645 PolarHBondContact O-N 3.05Å; L645-T649 WeakPolarHBondContact O-CB 3.39Å; L645-T649 WeakPolarHBondContact O-CG2 3.28Å; L645-T649 PolarHBondContact O-N 3.33Å; L645-T649 VanDerWaalsContact O-N 3.07Å; L645-T649 PolarHBondContact O-OG1 3.26Å
646	V	94.1	Very high	91.5	Very high	15 Å²	15	35.9 Å²	35.9	9%	0.091	19%	0.191	C	C	.	.	H	α-helix	trans	-69.6	-39.8	176.8	176.4	0	0	0	0	111.8	I172 T176 L208 L212 A642 I643 Y644 T649 A650	I172-V646 HydrophobicContact CG2-CG2 3.72Å; T176-V646 HydrophobicContact CG2-CG2 4.08Å; L208-V646 HydrophobicContact CD2-CG1 3.63Å; L212-V646 HydrophobicContact CD1-CG1 4.49Å; A642-V646 PolarHBondContact O-N 2.89Å; I643-V646 PolarHBondContact O-N 2.86Å; Y644-V646 PolarHBondContact O-N 2.91Å; V646-T649 PolarHBondContact O-OG1 2.84Å; V646-A650 PolarHBondContact O-N 2.58Å
647	L	94.1	Very high	91.8	Very high	90 Å²	90	36.2 Å²	36.2	47%	0.471	19%	0.188	S	C	.	.	H	α-helix	trans	-73.8	-38.8	177.3	-67.2	177.6	0	0	0	112.4	L212 I643 Y644 A650 L651	L212-L647 HydrophobicContact CD1-CD2 4.39Å; I643-L647 HydrophobicContact CG2-CD1 3.78Å; I643-L647 HydrophobicContact CG2-CG 4.3Å; I643-L647 WeakPolarHBondContact O-CG 3.28Å; I643-L647 PolarHBondContact O-N 3.13Å; Y644-L647 PolarHBondContact O-N 3.36Å; L647-A650 WeakPolarHBondContact O-CB 3.26Å; L647-A650 PolarHBondContact O-N 3.16Å; L647-L651 WeakPolarHBondContact O-CG 3.31Å; L647-L651 PolarHBondContact O-N 2.6Å
648	G	94.5	Very high	91.9	Very high	2 Å²	2	35 Å²	35	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-43.3	179	0	0	0	0	0	112.3	Y644 A650 L651 I652	Y644-G648 WeakPolarHBondContact O-CA 3.46Å; Y644-G648 PolarHBondContact O-N 3Å; G648-A650 VanDerWaalsContact C-N 3.29Å; G648-A650 PolarHBondContact O-N 2.69Å; G648-L651 WeakPolarHBondContact O-CB 3.47Å; G648-L651 PolarHBondContact O-N 3.34Å; G648-L651 VanDerWaalsContact O-N 3.08Å; G648-I652 WeakPolarHBondContact O-CG1 3.35Å; G648-I652 PolarHBondContact O-N 3.32Å
649	T	92.6	Very high	91.9	Very high	20 Å²	20	37 Å²	37	12%	0.123	19%	0.193	C	C	.	.	H	α-helix	trans	-63.7	-34.6	173.1	49.4	0	0	0	0	112	L645 V646 I652 A653	L645-T649 WeakPolarHBondContact O-CB 3.39Å; L645-T649 WeakPolarHBondContact O-CG2 3.28Å; L645-T649 PolarHBondContact O-N 3.33Å; L645-T649 VanDerWaalsContact O-N 3.07Å; L645-T649 PolarHBondContact O-OG1 3.26Å; V646-T649 PolarHBondContact O-OG1 2.84Å; T649-I652 PolarHBondContact O-N 3.21Å; T649-A653 WeakPolarHBondContact O-CB 3.44Å; T649-A653 PolarHBondContact O-N 2.97Å
650	A	93.3	Very high	91.7	Very high	6 Å²	6	39.1 Å²	39.1	5%	0.05	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-39.3	169.3	0	0	0	0	0	113.1	L212 V646 L647 G648 A653 V654	L212-A650 HydrophobicContact CB-CB 3.73Å; L212-A650 HydrophobicContact CD1-CB 3.94Å; V646-A650 PolarHBondContact O-N 2.58Å; L647-A650 WeakPolarHBondContact O-CB 3.26Å; L647-A650 PolarHBondContact O-N 3.16Å; G648-A650 VanDerWaalsContact C-N 3.29Å; G648-A650 PolarHBondContact O-N 2.69Å; A650-A653 PolarHBondContact O-N 3.09Å; A650-V654 WeakPolarHBondContact O-CG2 3.36Å; A650-V654 PolarHBondContact O-N 3.18Å; A650-V654 VanDerWaalsContact O-N 3.1Å
651	L	94	Very high	91.4	Very high	52 Å²	52	34.9 Å²	34.9	27%	0.272	18%	0.179	S	C	.	.	H	α-helix	trans	-67	-38.8	174.7	-71	173.8	0	0	0	112.7	V574 L647 G648 A653 V654 L655	V574-L651 HydrophobicContact CG1-CB 4.02Å; L647-L651 WeakPolarHBondContact O-CG 3.31Å; L647-L651 PolarHBondContact O-N 2.6Å; G648-L651 WeakPolarHBondContact O-CB 3.47Å; G648-L651 PolarHBondContact O-N 3.34Å; G648-L651 VanDerWaalsContact O-N 3.08Å; L651-A653 VanDerWaalsContact C-N 3.34Å; L651-V654 WeakPolarHBondContact O-CB 3.27Å; L651-V654 PolarHBondContact O-N 2.73Å; L651-L655 PolarHBondContact O-N 2.87Å
652	I	92.6	Very high	90.9	Very high	46 Å²	46	35.3 Å²	35.3	24%	0.236	18%	0.181	C	C	.	.	H	α-helix	trans	-64.3	-40.2	172.5	-61.4	-54.5	0	0	0	110.7	L606 G648 T649 V654 L655 V656	L606-I652 HydrophobicContact CB-CG1 4.09Å; G648-I652 WeakPolarHBondContact O-CG1 3.35Å; G648-I652 PolarHBondContact O-N 3.32Å; T649-I652 PolarHBondContact O-N 3.21Å; I652-V654 PolarHBondContact O-N 3.32Å; I652-L655 HydrophobicContact CD1-CD1 4.5Å; I652-L655 WeakPolarHBondContact O-CB 3.38Å; I652-L655 PolarHBondContact O-N 3.26Å; I652-V656 PolarHBondContact O-N 3.2Å; I652-V656 VanDerWaalsContact O-N 3.13Å
653	A	91.5	Very high	90.1	Very high	19 Å²	19	37.7 Å²	37.7	16%	0.157	19%	0.193	C	C	.	.	H	α-helix	trans	-63.2	-27.5	174.8	0	0	0	0	0	113.7	V209 A213 T649 A650 L651 R657	V209-A653 HydrophobicContact CG1-CB 3.46Å; V209-A653 VanDerWaalsContact CG1-CB 3.46Å; A213-A653 HydrophobicContact CB-CB 4.31Å; T649-A653 WeakPolarHBondContact O-CB 3.44Å; T649-A653 PolarHBondContact O-N 2.97Å; A650-A653 PolarHBondContact O-N 3.09Å; L651-A653 VanDerWaalsContact C-N 3.34Å; A653-R657 WeakPolarHBondContact O-CB 3.46Å; A653-R657 WeakPolarHBondContact O-CD 3.32Å; A653-R657 VanDerWaalsContact O-CG 3.29Å; A653-R657 WeakPolarHBondContact O-CG 3.23Å; A653-R657 PolarHBondContact O-N 3.1Å; A653-R657 VanDerWaalsContact O-N 3.11Å
654	V	93.2	Very high	89.2	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.018	19%	0.193	C	C	.	.	H	α-helix	trans	-65.1	-38.5	170.6	170	0	0	0	0	111.6	A213 C216 M217 I220 A650 L651 I652 S658	A213-V654 HydrophobicContact CB-CG2 3.52Å; C216-V654 HydrophobicContact CB-CG1 4.31Å; C216-V654 HydrophobicContact CB-CG2 3.79Å; M217-V654 HydrophobicContact SD-CG1 4.29Å; I220-V654 HydrophobicContact CD1-CG1 3.15Å; A650-V654 WeakPolarHBondContact O-CG2 3.36Å; A650-V654 PolarHBondContact O-N 3.18Å; A650-V654 VanDerWaalsContact O-N 3.1Å; L651-V654 WeakPolarHBondContact O-CB 3.27Å; L651-V654 PolarHBondContact O-N 2.73Å; I652-V654 PolarHBondContact O-N 3.32Å; V654-S658 WeakPolarHBondContact O-CB 3.33Å; V654-S658 PolarHBondContact O-N 3.01Å; V654-S658 PolarHBondContact O-OG 2.78Å
655	L	92.8	Very high	88	Confident	14 Å²	14	37.4 Å²	37.4	7%	0.073	19%	0.193	C	C	.	.	H	α-helix	trans	-66.8	-48	175.5	-66.9	178.5	0	0	0	111.8	V570 F571 V574 L651 I652 R657 S658 F659	V570-L655 HydrophobicContact CG1-CD2 4.02Å; F571-L655 HydrophobicContact CB-CD2 4.32Å; F571-L655 HydrophobicContact CD2-CD1 3.88Å; F571-L655 HydrophobicContact CD2-CD2 4.42Å; F571-L655 HydrophobicContact CE2-CD1 4.3Å; V574-L655 HydrophobicContact CB-CD1 3.91Å; V574-L655 HydrophobicContact CB-CD2 3.87Å; V574-L655 HydrophobicContact CB-CG 3.94Å; V574-L655 HydrophobicContact CG1-CD1 3.62Å; V574-L655 HydrophobicContact CG1-CD2 4.32Å; V574-L655 HydrophobicContact CG1-CG 3.81Å; V574-L655 HydrophobicContact CG2-CD2 3.84Å; V574-L655 HydrophobicContact CG2-CG 4.13Å; L651-L655 PolarHBondContact O-N 2.87Å; I652-L655 HydrophobicContact CD1-CD1 4.5Å; I652-L655 WeakPolarHBondContact O-CB 3.38Å; I652-L655 PolarHBondContact O-N 3.26Å; L655-R657 PolarHBondContact O-N 2.72Å; L655-S658 PolarHBondContact O-N 3.44Å; L655-S658 VanDerWaalsContact O-N 3.09Å; L655-F659 PolarHBondContact O-N 3.46Å
656	V	90.4	Very high	86.7	Confident	93 Å²	93	38.7 Å²	38.7	56%	0.564	20%	0.199	S	C	*	.	H	α-helix	trans	-54.9	-42.8	177.2	177.5	0	0	0	0	110.9	I652 F659 Q660	I652-V656 PolarHBondContact O-N 3.2Å; I652-V656 VanDerWaalsContact O-N 3.13Å; V656-F659 PolarHBondContact O-N 3.4Å; V656-Q660 WeakPolarHBondContact O-CB 3.46Å; V656-Q660 PolarHBondContact O-N 2.73Å
657	R	89.6	Confident	85.2	Confident	75 Å²	75	43.9 Å²	43.9	28%	0.283	22%	0.22	S	C	.	.	H	α-helix	trans	-69.7	-38.3	176.7	-73.4	170.5	174.8	-163.6	-5.7	113.9	S210 S214 M217 A653 L655 F659 Q660 E661	S210-R657 VanDerWaalsContact CA-NH2 3.35Å; S210-R657 VanDerWaalsContact CB-NH2 3.32Å; S210-R657 PolarHBondContact O-NH1 2.87Å; S210-R657 PolarHBondContact OG-NH2 3.34Å; S214-R657 PolarHBondContact OG-NH1 3.29Å; M217-R657 HydrophobicContact CE-CB 4.14Å; M217-R657 HydrophobicContact SD-CB 4.1Å; A653-R657 WeakPolarHBondContact O-CB 3.46Å; A653-R657 WeakPolarHBondContact O-CD 3.32Å; A653-R657 VanDerWaalsContact O-CG 3.29Å; A653-R657 WeakPolarHBondContact O-CG 3.23Å; A653-R657 PolarHBondContact O-N 3.1Å; A653-R657 VanDerWaalsContact O-N 3.11Å; L655-R657 PolarHBondContact O-N 2.72Å; R657-F659 PolarHBondContact O-N 3Å; R657-Q660 PolarHBondContact O-N 3.34Å; R657-E661 PolarHBondContact O-N 3.48Å
658	S	88.3	Confident	83.6	Confident	5 Å²	5	44 Å²	44	4%	0.035	22%	0.221	C	C	.	.	H	α-helix	trans	-64.8	-33.5	176.8	-59.4	0	0	0	0	111.4	V654 L655 I662	V654-S658 WeakPolarHBondContact O-CB 3.33Å; V654-S658 PolarHBondContact O-N 3.01Å; V654-S658 PolarHBondContact O-OG 2.78Å; L655-S658 PolarHBondContact O-N 3.44Å; L655-S658 VanDerWaalsContact O-N 3.09Å; S658-I662 WeakPolarHBondContact O-CG1 3.34Å
659	F	87.7	Confident	82	Confident	59 Å²	59	46.2 Å²	46.2	26%	0.259	23%	0.232	S	C	.	.	H	α-helix	trans	-74.1	-45.2	172.8	-166.4	-118.6	0	0	0	112.2	F567 L655 V656 R657 E661 I662 I663	F567-F659 HydrophobicContact CD1-CD2 4.46Å; F567-F659 HydrophobicContact CD2-CB 4.47Å; F567-F659 AromaticContact CE1-CD2 3.95Å; F567-F659 HydrophobicContact CE1-CD2 3.95Å; F567-F659 HydrophobicContact CE2-CB 3.69Å; F567-F659 HydrophobicContact CE2-CD2 4.17Å; F567-F659 HydrophobicContact CE2-CG 4.38Å; F567-F659 HydrophobicContact CZ-CB 3.91Å; F567-F659 AromaticContact CZ-CD2 3.79Å; F567-F659 HydrophobicContact CZ-CD2 3.79Å; F567-F659 HydrophobicContact CZ-CG 4.17Å; L655-F659 PolarHBondContact O-N 3.46Å; V656-F659 PolarHBondContact O-N 3.4Å; R657-F659 PolarHBondContact O-N 3Å; F659-E661 VanDerWaalsContact C-N 3.34Å; F659-E661 PolarHBondContact O-N 2.92Å; F659-I662 WeakPolarHBondContact O-CB 3.47Å; F659-I662 PolarHBondContact O-N 2.78Å; F659-I663 HydrophobicContact CD1-CD1 3.81Å; F659-I663 HydrophobicContact CE1-CD1 3.63Å; F659-I663 HydrophobicContact CE1-CG1 4.4Å; F659-I663 HydrophobicContact CZ-CD1 4.3Å; F659-I663 PolarHBondContact O-N 2.83Å; F659-I663 VanDerWaalsContact O-N 3.13Å
660	Q	83	Confident	80.4	Confident	92 Å²	92	48.4 Å²	48.4	43%	0.43	25%	0.246	S	C	.	.	H	α-helix	trans	-57.2	-44.5	177.4	-173.1	64.7	50.3	0	0	112	V656 R657 I662 I663 D664	V656-Q660 WeakPolarHBondContact O-CB 3.46Å; V656-Q660 PolarHBondContact O-N 2.73Å; R657-Q660 PolarHBondContact O-N 3.34Å; Q660-I662 PolarHBondContact O-N 3.23Å; Q660-I663 PolarHBondContact O-N 3.15Å; Q660-I663 VanDerWaalsContact O-N 3.14Å; Q660-D664 PolarHBondContact NE2-OD1 2.98Å; Q660-D664 PolarHBondContact O-N 2.94Å
661	E	82.8	Confident	78.2	Confident	24 Å²	24	50.4 Å²	50.4	11%	0.112	26%	0.257	C	S	.	.	H	α-helix	trans	-57	-33.9	175.8	-77.9	-171.3	-162.6	0	0	112.5	M217 R221 R224 R657 F659 Y665	M217-E661 WeakPolarHBondContact CE-OE1 3.3Å; R221-E661 IonicContact CZ-OE1 3.33Å; R221-E661 IonicContact NE-OE1 3.32Å; R221-E661 PolarHBondContact NE-OE1 2.92Å; R221-E661 IonicContact NE-OE2 3.52Å; R221-E661 IonicContact NH2-OE1 2.73Å; R221-E661 PolarHBondContact NH2-OE1 3.48Å; R224-E661 IonicContact CZ-OE2 2.73Å; R224-E661 IonicContact NH1-OE2 3.44Å; R224-E661 PolarHBondContact NH1-OE2 2.91Å; R224-E661 IonicContact NH2-OE2 3.1Å; R224-E661 PolarHBondContact NH2-OE2 3.17Å; R657-E661 PolarHBondContact O-N 3.48Å; F659-E661 VanDerWaalsContact C-N 3.34Å; F659-E661 PolarHBondContact O-N 2.92Å; E661-Y665 WeakPolarHBondContact O-CD2 3.33Å; E661-Y665 PolarHBondContact O-N 3.45Å; E661-Y665 VanDerWaalsContact O-N 3.12Å
662	I	80.4	Confident	75.8	Confident	10 Å²	10	48.9 Å²	48.9	5%	0.051	25%	0.254	C	S	.	.	H	α-helix	trans	-73.2	-40.8	179.1	-66.7	169.6	0	0	0	110.9	F560 F567 S658 F659 Q660 Y665 E666	F560-I662 HydrophobicContact CE2-CG2 4.2Å; F567-I662 HydrophobicContact CB-CD1 3.63Å; F567-I662 HydrophobicContact CD2-CD1 4.31Å; F567-I662 HydrophobicContact CG-CD1 4.1Å; S658-I662 WeakPolarHBondContact O-CG1 3.34Å; F659-I662 WeakPolarHBondContact O-CB 3.47Å; F659-I662 PolarHBondContact O-N 2.78Å; Q660-I662 PolarHBondContact O-N 3.23Å; I662-Y665 PolarHBondContact O-N 3.19Å; I662-E666 PolarHBondContact O-N 3.3Å; I662-E666 VanDerWaalsContact O-N 3.1Å
663	I	75.4	Confident	73.4	Confident	52 Å²	52	48.2 Å²	48.2	27%	0.267	26%	0.259	S	S	.	.	H	α-helix	trans	-61.6	-49	173.5	-65.3	171	0	0	0	110.3	F529 F659 Q660 Y665 E666 F667	F529-I663 HydrophobicContact CE1-CD1 4.44Å; F529-I663 HydrophobicContact CE1-CG1 4.43Å; F659-I663 HydrophobicContact CD1-CD1 3.81Å; F659-I663 HydrophobicContact CE1-CD1 3.63Å; F659-I663 HydrophobicContact CE1-CG1 4.4Å; F659-I663 HydrophobicContact CZ-CD1 4.3Å; F659-I663 PolarHBondContact O-N 2.83Å; F659-I663 VanDerWaalsContact O-N 3.13Å; Q660-I663 PolarHBondContact O-N 3.15Å; Q660-I663 VanDerWaalsContact O-N 3.14Å; I663-Y665 VanDerWaalsContact C-N 3.3Å; I663-Y665 PolarHBondContact O-N 3.02Å; I663-E666 PolarHBondContact O-N 3.17Å; I663-E666 VanDerWaalsContact O-N 3.16Å; I663-F667 WeakPolarHBondContact O-CB 3.46Å; I663-F667 PolarHBondContact O-N 2.89Å
664	D	73.2	Confident	70.8	Confident	77 Å²	77	54 Å²	54	41%	0.412	28%	0.277	S	S	.	.	H	α-helix	trans	-58.3	-43.2	-179.1	-65.2	-19.1	0	0	0	111.1	Q660 L668	Q660-D664 PolarHBondContact NE2-OD1 2.98Å; Q660-D664 PolarHBondContact O-N 2.94Å; D664-L668 WeakPolarHBondContact O-CB 3.36Å; D664-L668 WeakPolarHBondContact O-CD1 3.17Å; D664-L668 VanDerWaalsContact O-CG 3.23Å; D664-L668 WeakPolarHBondContact O-CG 3.23Å; D664-L668 PolarHBondContact O-N 3.32Å; D664-L668 VanDerWaalsContact O-N 3.09Å
665	Y	70.1	Confident	67.9	Low	32 Å²	32	61.8 Å²	61.8	13%	0.125	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-43.2	175.6	-87	-58.5	0	0	0	113.4	M263 R563 E661 I662 I663 L668 N669	M263-Y665 HydrophobicContact CE-CE1 4.46Å; M263-Y665 HydrophobicContact SD-CE1 4.42Å; R563-Y665 VanDerWaalsContact NH1-CD2 3.32Å; E661-Y665 WeakPolarHBondContact O-CD2 3.33Å; E661-Y665 PolarHBondContact O-N 3.45Å; E661-Y665 VanDerWaalsContact O-N 3.12Å; I662-Y665 PolarHBondContact O-N 3.19Å; I663-Y665 VanDerWaalsContact C-N 3.3Å; I663-Y665 PolarHBondContact O-N 3.02Å; Y665-L668 PolarHBondContact O-N 3.39Å; Y665-N669 PolarHBondContact O-N 3.49Å; Y665-N669 PolarHBondContact O-ND2 2.92Å; Y665-N669 PolarHBondContact O-OD1 3.07Å
666	E	67	Low	65.5	Low	26 Å²	26	64.7 Å²	64.7	12%	0.121	32%	0.321	C	S	.	.	H	α-helix	trans	-76	-34	-176.9	-171.7	59.8	-172.7	0	0	112	R536 H556 F560 I662 I663 L668 N669 V670	R536-E666 IonicContact NE-OE1 2.69Å; H556-E666 IonicContact CE1-OE2 3.65Å; F560-E666 HydrophobicContact CE2-CB 4.46Å; F560-E666 HydrophobicContact CE2-CG 4.37Å; I662-E666 PolarHBondContact O-N 3.3Å; I662-E666 VanDerWaalsContact O-N 3.1Å; I663-E666 PolarHBondContact O-N 3.17Å; I663-E666 VanDerWaalsContact O-N 3.16Å; E666-L668 PolarHBondContact O-N 2.95Å; E666-N669 WeakPolarHBondContact O-CB 3.23Å; E666-N669 PolarHBondContact O-N 3.47Å; E666-N669 PolarHBondContact OE2-ND2 2.93Å; E666-V670 WeakPolarHBondContact O-CG2 3.49Å; E666-V670 PolarHBondContact O-N 2.97Å
667	F	63.4	Low	63.4	Low	125 Å²	125	67 Å²	67	55%	0.548	33%	0.325	S	S	.	.	H	α-helix	trans	-59.8	-46.5	170.1	-170.6	-94	0	0	0	111.1	I663 N669 V670 T671	I663-F667 WeakPolarHBondContact O-CB 3.46Å; I663-F667 PolarHBondContact O-N 2.89Å; F667-N669 VanDerWaalsContact C-N 3.31Å; F667-N669 PolarHBondContact O-N 3.19Å; F667-V670 PolarHBondContact O-N 3.03Å; F667-T671 HydrophobicContact CD1-CG2 4.13Å; F667-T671 HydrophobicContact CE1-CG2 3.7Å; F667-T671 HydrophobicContact CE2-CG2 4.46Å; F667-T671 HydrophobicContact CZ-CG2 3.89Å; F667-T671 PolarHBondContact O-N 3.31Å; F667-T671 PolarHBondContact O-OG1 3.45Å; F667-T671 VanDerWaalsContact O-OG1 3.08Å
668	L	59.2	Low	61.1	Low	91 Å²	91	68.2 Å²	68.2	48%	0.476	33%	0.333	S	S	.	.	H	α-helix	trans	-61.8	-34.8	175.4	-73.8	169.7	0	0	0	113	D664 Y665 E666 T671 G672	D664-L668 WeakPolarHBondContact O-CB 3.36Å; D664-L668 WeakPolarHBondContact O-CD1 3.17Å; D664-L668 VanDerWaalsContact O-CG 3.23Å; D664-L668 WeakPolarHBondContact O-CG 3.23Å; D664-L668 PolarHBondContact O-N 3.32Å; D664-L668 VanDerWaalsContact O-N 3.09Å; Y665-L668 PolarHBondContact O-N 3.39Å; E666-L668 PolarHBondContact O-N 2.95Å; L668-T671 PolarHBondContact O-OG1 3.46Å; L668-G672 WeakPolarHBondContact O-CA 3.48Å; L668-G672 PolarHBondContact O-N 2.85Å
669	N	61.1	Low	58.7	Low	50 Å²	50	74 Å²	74	27%	0.267	36%	0.357	S	S	.	.	H	α-helix	trans	-66	-49.9	173.7	-67.3	-29.6	0	0	0	111.6	H556 Y665 E666 F667 G672 G673	H556-N669 PolarHBondContact CE1-ND2 2.98Å; H556-N669 PolarHBondContact NE2-ND2 3.01Å; Y665-N669 PolarHBondContact O-N 3.49Å; Y665-N669 PolarHBondContact O-ND2 2.92Å; Y665-N669 PolarHBondContact O-OD1 3.07Å; E666-N669 WeakPolarHBondContact O-CB 3.23Å; E666-N669 PolarHBondContact O-N 3.47Å; E666-N669 PolarHBondContact OE2-ND2 2.93Å; F667-N669 VanDerWaalsContact C-N 3.31Å; F667-N669 PolarHBondContact O-N 3.19Å; N669-G672 PolarHBondContact O-N 3.25Å; N669-G673 PolarHBondContact O-N 3.46Å
670	V	59.3	Low	56.8	Low	66 Å²	66	76.3 Å²	76.3	40%	0.4	37%	0.372	S	S	.	.	H	α-helix	trans	-63.6	-46.1	-178.2	172	0	0	0	0	111	E666 F667 Y674	E666-V670 WeakPolarHBondContact O-CG2 3.49Å; E666-V670 PolarHBondContact O-N 2.97Å; F667-V670 PolarHBondContact O-N 3.03Å; V670-Y674 PolarHBondContact O-N 3.2Å
671	T	48.2	Very low	55.1	Low	48 Å²	48	77.7 Å²	77.7	29%	0.294	38%	0.379	S	S	.	.	H	α-helix	trans	-69	-37.5	175.3	58.6	0	0	0	0	112.1	F667 L668 Y674 Y675	F667-T671 HydrophobicContact CD1-CG2 4.13Å; F667-T671 HydrophobicContact CE1-CG2 3.7Å; F667-T671 HydrophobicContact CE2-CG2 4.46Å; F667-T671 HydrophobicContact CZ-CG2 3.89Å; F667-T671 PolarHBondContact O-N 3.31Å; F667-T671 PolarHBondContact O-OG1 3.45Å; F667-T671 VanDerWaalsContact O-OG1 3.08Å; L668-T671 PolarHBondContact O-OG1 3.46Å; T671-Y674 PolarHBondContact O-N 2.87Å; T671-Y675 WeakPolarHBondContact O-CD2 3.42Å; T671-Y675 PolarHBondContact O-N 3.48Å
672	G	42.4	Very low	53.1	Low	19 Å²	19	82 Å²	82	20%	0.196	40%	0.399	C	S	.	.	H	α-helix	trans	-63.9	-47	-178.4	0	0	0	0	0	112.5	L668 N669 Y674 Y675 E676	L668-G672 WeakPolarHBondContact O-CA 3.48Å; L668-G672 PolarHBondContact O-N 2.85Å; N669-G672 PolarHBondContact O-N 3.25Å; G672-Y674 VanDerWaalsContact C-N 3.33Å; G672-Y674 PolarHBondContact O-N 2.84Å; G672-Y675 PolarHBondContact O-N 3.46Å; G672-Y675 VanDerWaalsContact O-N 3.14Å; G672-E676 PolarHBondContact O-N 2.88Å
673	G	43.1	Very low	51.1	Low	33 Å²	33	86 Å²	86	34%	0.34	42%	0.418	S	S	.	.	H	α-helix	trans	-61.2	-39.5	177.1	0	0	0	0	0	113.1	N669 Y675 E676 E677	N669-G673 PolarHBondContact O-N 3.46Å; G673-Y675 VanDerWaalsContact C-N 3.27Å; G673-Y675 PolarHBondContact O-N 2.89Å; G673-E676 PolarHBondContact O-N 2.66Å; G673-E677 WeakPolarHBondContact O-CB 3.27Å; G673-E677 PolarHBondContact O-N 3.41Å
674	Y	35.4	Very low	49.7	Very low	140 Å²	140	86.4 Å²	86.4	55%	0.549	43%	0.43	S	S	.	.	H	α-helix	trans	-65.6	-28.3	176.4	-173.4	-100.3	0	0	0	113.2	V670 T671 G672 K678	V670-Y674 PolarHBondContact O-N 3.2Å; T671-Y674 PolarHBondContact O-N 2.87Å; G672-Y674 VanDerWaalsContact C-N 3.33Å; G672-Y674 PolarHBondContact O-N 2.84Å; Y674-K678 WeakPolarHBondContact O-CB 3.5Å
675	Y	33.7	Very low	48.5	Very low	167 Å²	167	87.3 Å²	87.3	66%	0.655	43%	0.431	S	S	*	.	H	α-helix	trans	-81.8	-35.6	171	-76	-68.2	0	0	0	112.9	T671 G672 G673 F679	T671-Y675 WeakPolarHBondContact O-CD2 3.42Å; T671-Y675 PolarHBondContact O-N 3.48Å; G672-Y675 PolarHBondContact O-N 3.46Å; G672-Y675 VanDerWaalsContact O-N 3.14Å; G673-Y675 VanDerWaalsContact C-N 3.27Å; G673-Y675 PolarHBondContact O-N 2.89Å; Y675-F679 WeakPolarHBondContact O-CB 3.49Å; Y675-F679 PolarHBondContact O-N 2.87Å
676	E	41.7	Very low	47	Very low	75 Å²	75	91.4 Å²	91.4	35%	0.35	46%	0.455	S	S	.	.	H	α-helix	trans	-63.1	-51.3	174.5	-82.6	171.5	132.6	0	0	110.9	R259 G672 G673 K678 F679 D680	R259-E676 IonicContact CZ-OE1 3.21Å; R259-E676 IonicContact CZ-OE2 2.88Å; R259-E676 IonicContact NH1-OE1 2.76Å; R259-E676 PolarHBondContact NH1-OE1 3.12Å; R259-E676 IonicContact NH1-OE2 3.32Å; R259-E676 PolarHBondContact NH1-OE2 2.81Å; R259-E676 IonicContact NH2-OE1 2.73Å; R259-E676 IonicContact NH2-OE2 2.84Å; R259-E676 PolarHBondContact NH2-OE2 2.75Å; G672-E676 PolarHBondContact O-N 2.88Å; G673-E676 PolarHBondContact O-N 2.66Å; E676-K678 VanDerWaalsContact C-N 3.33Å; E676-K678 PolarHBondContact O-N 3.45Å; E676-F679 PolarHBondContact O-N 3.41Å; E676-F679 VanDerWaalsContact O-N 3.07Å; E676-D680 PolarHBondContact O-N 2.85Å
677	E	46.7	Very low	45.5	Very low	141 Å²	141	93.8 Å²	93.8	66%	0.659	48%	0.475	S	S	*	.	H	α-helix	trans	-57.3	-43.3	180	-173.1	166.7	-131.7	0	0	112.4	G673 F679 E681	G673-E677 WeakPolarHBondContact O-CB 3.27Å; G673-E677 PolarHBondContact O-N 3.41Å; E677-F679 PolarHBondContact O-N 3.36Å; E677-E681 PolarHBondContact O-N 3.48Å; E677-E681 VanDerWaalsContact O-N 3.17Å
678	K	40.3	Very low	44.2	Very low	101 Å²	101	91.5 Å²	91.5	44%	0.439	47%	0.474	S	S	.	.	H	α-helix	trans	-75.9	-20.2	179	-161.5	167	-165.9	163.5	0	114.1	Y674 E676 H682	Y674-K678 WeakPolarHBondContact O-CB 3.5Å; E676-K678 VanDerWaalsContact C-N 3.33Å; E676-K678 PolarHBondContact O-N 3.45Å; K678-H682 PolarHBondContact O-CD2 3.46Å
679	F	38.6	Very low	43.1	Very low	126 Å²	126	91.6 Å²	91.6	55%	0.553	48%	0.482	S	S	*	.	H	α-helix	trans	-82.9	-39.2	174.6	-170.6	-96.6	0	0	0	111	Y675 E676 E677 H682 M683	Y675-F679 WeakPolarHBondContact O-CB 3.49Å; Y675-F679 PolarHBondContact O-N 2.87Å; E676-F679 PolarHBondContact O-N 3.41Å; E676-F679 VanDerWaalsContact O-N 3.07Å; E677-F679 PolarHBondContact O-N 3.36Å; F679-H682 PolarHBondContact O-N 3.21Å; F679-M683 HydrophobicContact CD1-CG 4.14Å; F679-M683 HydrophobicContact CE1-CE 3.54Å; F679-M683 HydrophobicContact CE1-CG 3.94Å; F679-M683 HydrophobicContact CZ-CE 3.62Å; F679-M683 PolarHBondContact O-N 3.03Å
680	D	47.1	Very low	42.2	Very low	107 Å²	107	98 Å²	98	57%	0.572	51%	0.51	S	S	*	.	H	α-helix	trans	-65.3	-38	175.2	-75.7	-14.3	0	0	0	112	E676 H682 M683 A684	E676-D680 PolarHBondContact O-N 2.85Å; D680-H682 PolarHBondContact O-N 2.84Å; D680-M683 PolarHBondContact O-N 3.01Å; D680-A684 VanDerWaalsContact O-CB 3.3Å; D680-A684 WeakPolarHBondContact O-CB 3.49Å; D680-A684 PolarHBondContact O-N 2.95Å
681	E	48	Very low	40.9	Very low	122 Å²	122	101.9 Å²	101.9	57%	0.57	53%	0.528	S	S	*	.	H	α-helix	trans	-57.6	-45.5	170.2	-78.7	-164.8	125.5	0	0	112.3	E677 A684 Q685	E677-E681 PolarHBondContact O-N 3.48Å; E677-E681 VanDerWaalsContact O-N 3.17Å; E681-A684 PolarHBondContact O-N 3.31Å; E681-Q685 WeakPolarHBondContact O-CG 3.39Å; E681-Q685 PolarHBondContact O-N 2.81Å; E681-Q685 VanDerWaalsContact O-N 3.15Å
682	H	40.7	Very low	40.2	Very low	113 Å²	113	108 Å²	108	52%	0.523	55%	0.551	S	S	.	*	H	α-helix	trans	-69.4	-35.5	179.3	-87.2	-53.4	0	0	0	112.9	K678 F679 D680	K678-H682 PolarHBondContact O-CD2 3.46Å; F679-H682 PolarHBondContact O-N 3.21Å; D680-H682 PolarHBondContact O-N 2.84Å
683	M	38.5	Very low	39.8	Very low	95 Å²	95	117.1 Å²	117.1	47%	0.468	59%	0.585	S	S	.	*	H	α-helix	trans	-65	-48.2	172.4	-81.2	-71.6	-172.3	0	0	111.6	F679 D680 Q685 N686 S687	F679-M683 HydrophobicContact CD1-CG 4.14Å; F679-M683 HydrophobicContact CE1-CE 3.54Å; F679-M683 HydrophobicContact CE1-CG 3.94Å; F679-M683 HydrophobicContact CZ-CE 3.62Å; F679-M683 PolarHBondContact O-N 3.03Å; D680-M683 PolarHBondContact O-N 3.01Å; M683-Q685 VanDerWaalsContact C-N 3.27Å; M683-Q685 PolarHBondContact O-N 2.94Å; M683-N686 PolarHBondContact O-N 3.25Å; M683-N686 VanDerWaalsContact O-N 3.14Å; M683-S687 PolarHBondContact O-N 2.64Å; M683-S687 PolarHBondContact O-OG 2.76Å
684	A	46.8	Very low	39.3	Very low	61 Å²	61	122.6 Å²	122.6	50%	0.504	61%	0.607	S	S	.	*	H	α-helix	trans	-62.2	-33.1	-178.3	0	0	0	0	0	112.9	D680 E681 C688	D680-A684 VanDerWaalsContact O-CB 3.3Å; D680-A684 WeakPolarHBondContact O-CB 3.49Å; D680-A684 PolarHBondContact O-N 2.95Å; E681-A684 PolarHBondContact O-N 3.31Å; A684-C688 PolarHBondContact O-SG 3.03Å
685	Q	46.2	Very low	39.2	Very low	96 Å²	96	122.7 Å²	122.7	45%	0.449	62%	0.617	S	S	.	*	H	α-helix	trans	-66.5	-38.8	175.5	-74.6	174.6	6.3	0	0	112.8	E681 M683	E681-Q685 WeakPolarHBondContact O-CG 3.39Å; E681-Q685 PolarHBondContact O-N 2.81Å; E681-Q685 VanDerWaalsContact O-N 3.15Å; M683-Q685 VanDerWaalsContact C-N 3.27Å; M683-Q685 PolarHBondContact O-N 2.94Å
686	N	39.8	Very low	39.3	Very low	117 Å²	117	120 Å²	120	63%	0.626	62%	0.618	S	S	*	*	H	α-helix	trans	-76.9	-45.2	-178.6	-72.7	-10.1	0	0	0	112.9	M683 C688 S689	M683-N686 PolarHBondContact O-N 3.25Å; M683-N686 VanDerWaalsContact O-N 3.14Å; N686-C688 PolarHBondContact O-N 2.7Å; N686-C688 VanDerWaalsContact O-N 3.07Å; N686-S689 PolarHBondContact O-N 3.21Å
687	S	36.3	Very low	38.9	Very low	76 Å²	76	122.8 Å²	122.8	53%	0.531	64%	0.64	S	S	.	*	H	α-helix	trans	-65.9	-12.9	-175.1	-60.8	0	0	0	0	114.8	M683 S689	M683-S687 PolarHBondContact O-N 2.64Å; M683-S687 PolarHBondContact O-OG 2.76Å; S687-S689 VanDerWaalsContact C-N 3.29Å; S687-S689 PolarHBondContact O-N 3.5Å
688	C	34.3	Very low	38.2	Very low	78 Å²	78	122.1 Å²	122.1	53%	0.527	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.9	-8.4	172.8	-71.4	0	0	0	0	114.5	A684 N686	A684-C688 PolarHBondContact O-SG 3.03Å; N686-C688 PolarHBondContact O-N 2.7Å; N686-C688 VanDerWaalsContact O-N 3.07Å
689	S	37.9	Very low	37.7	Very low	93 Å²	93	122.5 Å²	122.5	65%	0.65	66%	0.664	S	S	*	*	S	Bend	trans	-102.6	-8.3	-168.5	-56.8	0	0	0	0	115.2	N686 S687	N686-S689 PolarHBondContact O-N 3.21Å; S687-S689 VanDerWaalsContact C-N 3.29Å; S687-S689 PolarHBondContact O-N 3.5Å
690	E	41.1	Very low	37.6	Very low	183 Å²	183	124.4 Å²	124.4	86%	0.855	67%	0.674	S	S	*	*	S	Bend	trans	-109.4	2.7	-175.1	-63.4	-169.6	142.8	0	0	114.3
691	L	33.2	Very low	36.8	Very low	148 Å²	148	125.9 Å²	125.9	78%	0.775	68%	0.682	S	S	*	*			trans	-105	24.9	-163.6	-110.4	164	0	0	0	115.8
692	F	31.8	Very low	35.9	Very low	176 Å²	176	131.7 Å²	131.7	77%	0.772	70%	0.699	S	S	*	*			trans	-129.6	89.1	174.6	-79.1	-86.8	0	0	0	111.6
693	F	35.8	Very low	35.4	Very low	211 Å²	211	136 Å²	136	93%	0.925	72%	0.716	S	S	*	*	S	Bend	trans	-169.5	144.7	142.5	-107.5	-67.3	0	0	0	111.4
694	D	31.4	Very low	35	Very low	148 Å²	148	136.8 Å²	136.8	79%	0.791	73%	0.731	S	S	*	*			trans	-55.1	145.7	-155.2	-76.2	-60.8	0	0	0	121.5
695	D	32.7	Very low	34.4	Very low	142 Å²	142	141.7 Å²	141.7	76%	0.759	74%	0.744	S	S	*	*			trans	-28.5	167.4	135.2	-98.6	-49.6	0	0	0	116.7
696	T	37.6	Very low	33.6	Very low	112 Å²	112	143.9 Å²	143.9	69%	0.687	76%	0.758	S	S	*	*			cis	-159	173.4	22.1	7.6	0	0	0	0	112.4
697	T	32.9	Very low	33.2	Very low	132 Å²	132	148.3 Å²	148.3	81%	0.81	77%	0.771	S	S	*	*			trans	100.6	116.3	157.4	72.3	0	0	0	0	118.7
698	P	31.9	Very low	33	Very low	128 Å²	128	152.4 Å²	152.4	83%	0.831	78%	0.782	S	S	*	*			trans	-120.7	153.5	178.4	40	-30.2	0	0	0	115.1
699	S	29.9	Very low	32.9	Very low	108 Å²	108	159.4 Å²	159.4	76%	0.755	80%	0.797	S	S	*	*			trans	-162.6	162.9	145.8	69.3	0	0	0	0	114.1
700	Q	34.9	Very low	32.6	Very low	167 Å²	167	159.3 Å²	159.3	78%	0.78	79%	0.789	S	S	*	*			trans	75.3	94.8	162.6	-52.9	-137.1	22.7	0	0	121
701	N	31.1	Very low	32.3	Very low	137 Å²	137	158.9 Å²	158.9	73%	0.733	79%	0.791	S	S	*	*				46.3	100	114.6	-80.4	-29.2	0	0	0	119.9
702	R	30.2	Very low	32.7	Very low	245 Å²	245	158.8 Å²	158.8	93%	0.925	83%	0.826	S	S	*	*				-178.1	161.9	92.1	-94.9	165.7	-149.4	-135.6	3.5	113.1
703	K	28.7	Very low	32.7	Very low	202 Å²	202	158 Å²	158	88%	0.878	83%	0.829	S	S	*	*			trans	-76.4	135.1	175.8	-55.2	164.8	-179.7	172.9	0	110.6
704	S	31.4	Very low	32.5	Very low	113 Å²	113	155.2 Å²	155.2	79%	0.79	82%	0.824	S	S	*	*				178.4	141	117.2	52.6	0	0	0	0	115.2
705	Q	32.5	Very low	32.6	Very low	164 Å²	164	155.6 Å²	155.6	77%	0.766	83%	0.825	S	S	*	*			trans	45.5	106	148.3	-61.2	-63.8	-4	0	0	122.1
706	L	30	Very low	32.6	Very low	142 Å²	142	156.4 Å²	156.4	74%	0.743	83%	0.829	S	S	*	*			trans	11.5	132.1	131.9	-82.1	64.6	0	0	0	119.1
707	K	32.3	Very low	32.3	Very low	210 Å²	210	159.1 Å²	159.1	91%	0.913	84%	0.838	S	S	*	*				-158.1	145.9	103.6	-112	168.1	-174.7	172.9	0	114.6
708	H	31.6	Very low	32.3	Very low	162 Å²	162	160.9 Å²	160.9	75%	0.75	84%	0.84	S	S	*	*			trans	-57.8	151.9	172.3	-83.7	-113.6	0	0	0	113.4
709	R	31.7	Very low	32.3	Very low	224 Å²	224	163.3 Å²	163.3	85%	0.845	84%	0.841	S	S	*	*				170.5	155.8	119	-90.6	-148.6	147.9	128.9	-1	110.1
710	D	33	Very low	32.5	Very low	92 Å²	92	167.5 Å²	167.5	49%	0.492	85%	0.847	S	S	.	*			cis	-172.6	173.6	-25.9	-103.4	-1.7	0	0	0	106.2
711	I	33.2	Very low	32.3	Very low	174 Å²	174	167.6 Å²	167.6	89%	0.892	85%	0.853	S	S	*	*			trans	80.5	132.7	164.5	-54.4	121.8	0	0	0	117.2
712	G	41.5	Very low	32.4	Very low	146 Å²	146	170.4 Å²	170.4	100%	1.505	86%	0.864	S	S	*	*			trans	176.1	0	177.8	0	0	0	0	0	109.3

Retrieved 712 of 712 residues in 1247.1 ms (Link to these results)

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