G4VB52_SCHMA Loading...

YTH domain-containing protein

AlphaFold DB , UniProt , Accession G4VB52, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 736 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	39.4	Very low	35	Very low	254 Å²	254	135.5 Å²	135.5	100%	1.251	87%	0.865	S	S	*	*				0	113.9	0	-63.4	175.2	-177.1	0	0	107
2	G	39.2	Very low	35	Very low	78 Å²	78	133.4 Å²	133.4	80%	0.804	85%	0.849	S	S	*	*			cis	-148.9	154.5	-5.7	0	0	0	0	0	110.7
3	E	34	Very low	35.3	Very low	208 Å²	208	131.6 Å²	131.6	97%	0.972	84%	0.839	S	S	*	*			trans	-80.8	154.8	173.7	-64	156.2	119.4	0	0	110
4	G	34.7	Very low	35.8	Very low	75 Å²	75	129.1 Å²	129.1	77%	0.773	82%	0.816	S	S	*	*			trans	-155.3	113.9	-179.6	0	0	0	0	0	112
5	N	35.4	Very low	36.2	Very low	170 Å²	170	126 Å²	126	91%	0.909	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-72.3	129.7	-176.3	-69.5	-49.3	0	0	0	112.3
6	G	34.8	Very low	36.6	Very low	74 Å²	74	127.1 Å²	127.1	76%	0.763	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-96.7	126	167.8	0	0	0	0	0	111.2
7	V	33.4	Very low	37.2	Very low	138 Å²	138	126.1 Å²	126.1	84%	0.836	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-81.9	127.5	-175.8	-177.5	0	0	0	0	110.9
8	N	34.5	Very low	37.6	Very low	161 Å²	161	122.6 Å²	122.6	86%	0.861	77%	0.771	S	S	*	*			trans	-111.5	132.4	165.3	-80	-37.1	0	0	0	109.7
9	S	30.9	Very low	38.2	Very low	106 Å²	106	119.3 Å²	119.3	74%	0.741	76%	0.757	S	S	*	*			trans	-76	137.5	-170.7	50.3	0	0	0	0	113.3	T11	S9-T11 PolarHBondContact O-N 3.44Å
10	A	31.2	Very low	38.6	Very low	100 Å²	100	115.6 Å²	115.6	83%	0.826	74%	0.738	S	S	*	*			trans	-71.3	108.5	168.3	0	0	0	0	0	110.2	T12	A10-T12 PolarHBondContact O-N 3.23Å
11	T	37.2	Very low	39	Very low	127 Å²	127	113 Å²	113	78%	0.779	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-66	118.3	175.8	-51.7	0	0	0	0	110.3	S9	S9-T11 PolarHBondContact O-N 3.44Å
12	T	35.3	Very low	39.5	Very low	110 Å²	110	103.8 Å²	103.8	68%	0.675	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-59.9	142.3	171.4	45.8	0	0	0	0	111.3	A10 N14	A10-T12 PolarHBondContact O-N 3.23Å; T12-N14 PolarHBondContact O-N 3.49Å
13	P	38.9	Very low	40	Very low	110 Å²	110	101.3 Å²	101.3	71%	0.714	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-65.7	126.7	176.8	27.6	-33.9	0	0	0	110.9
14	N	42	Very low	40.8	Very low	96 Å²	96	93.7 Å²	93.7	51%	0.513	64%	0.636	S	S	.	*	P	Polyproline II helix	trans	-56.6	144.6	174	-73.4	4	0	0	0	111	T12 E16 N17	T12-N14 PolarHBondContact O-N 3.49Å; N14-E16 PolarHBondContact O-N 3.44Å; N14-N17 PolarHBondContact O-N 3.13Å
15	A	41.8	Very low	41.5	Very low	83 Å²	83	93.1 Å²	93.1	69%	0.686	62%	0.624	S	S	*	*	H	α-helix	trans	-56.1	-28	-177.6	0	0	0	0	0	113.7	N17 A18 A19	A15-N17 VanDerWaalsContact C-N 3.33Å; A15-N17 PolarHBondContact O-N 2.78Å; A15-A18 WeakPolarHBondContact O-CB 3.41Å; A15-A18 PolarHBondContact O-N 2.91Å; A15-A19 PolarHBondContact O-N 3.29Å
16	E	42.9	Very low	42.2	Very low	144 Å²	144	87.4 Å²	87.4	67%	0.673	60%	0.6	S	S	*	*	H	α-helix	trans	-60	-39.3	175.5	-60.7	168.1	136.8	0	0	112.5	N14 A19 A20	N14-E16 PolarHBondContact O-N 3.44Å; E16-A19 PolarHBondContact O-N 3.34Å; E16-A20 WeakPolarHBondContact O-CB 3.44Å; E16-A20 PolarHBondContact O-N 2.97Å
17	N	45.9	Very low	42.9	Very low	109 Å²	109	89.3 Å²	89.3	58%	0.583	59%	0.592	S	S	*	*	H	α-helix	trans	-69.9	-34.3	176.5	-72.2	-13	0	0	0	111.6	N14 A15 A21	N14-N17 PolarHBondContact O-N 3.13Å; A15-N17 VanDerWaalsContact C-N 3.33Å; A15-N17 PolarHBondContact O-N 2.78Å; N17-A21 WeakPolarHBondContact O-CB 3.45Å; N17-A21 PolarHBondContact O-N 2.95Å
18	A	46.1	Very low	43.5	Very low	63 Å²	63	85.4 Å²	85.4	52%	0.521	57%	0.574	S	S	.	*	H	α-helix	trans	-68.7	-40.5	174.3	0	0	0	0	0	111.5	A15 A21 A22	A15-A18 WeakPolarHBondContact O-CB 3.41Å; A15-A18 PolarHBondContact O-N 2.91Å; A18-A21 PolarHBondContact O-N 3.29Å; A18-A22 WeakPolarHBondContact O-CB 3.46Å; A18-A22 PolarHBondContact O-N 3.07Å
19	A	47.8	Very low	44.2	Very low	60 Å²	60	79.9 Å²	79.9	50%	0.496	55%	0.551	S	S	.	*	H	α-helix	trans	-63.8	-43.5	174.3	0	0	0	0	0	112.2	A15 E16 A22 A23	A15-A19 PolarHBondContact O-N 3.29Å; E16-A19 PolarHBondContact O-N 3.34Å; A19-A22 PolarHBondContact O-N 2.96Å; A19-A23 WeakPolarHBondContact O-CB 3.32Å; A19-A23 PolarHBondContact O-N 2.84Å
20	A	46.1	Very low	44.9	Very low	46 Å²	46	79.4 Å²	79.4	38%	0.38	54%	0.543	S	S	.	.	H	α-helix	trans	-63.4	-42.7	175.8	0	0	0	0	0	112.4	E16 A23 A24	E16-A20 WeakPolarHBondContact O-CB 3.44Å; E16-A20 PolarHBondContact O-N 2.97Å; A20-A23 PolarHBondContact O-N 2.81Å; A20-A24 PolarHBondContact O-N 3.35Å
21	A	46.5	Very low	45.6	Very low	61 Å²	61	77.2 Å²	77.2	50%	0.504	53%	0.525	S	S	.	.	H	α-helix	trans	-64.1	-40.1	175	0	0	0	0	0	112.3	N17 A18 A24 A25	N17-A21 WeakPolarHBondContact O-CB 3.45Å; N17-A21 PolarHBondContact O-N 2.95Å; A18-A21 PolarHBondContact O-N 3.29Å; A21-A24 PolarHBondContact O-N 2.9Å; A21-A25 WeakPolarHBondContact O-CB 3.27Å; A21-A25 PolarHBondContact O-N 2.94Å
22	A	50.6	Low	45.8	Very low	60 Å²	60	74.8 Å²	74.8	50%	0.496	51%	0.513	S	S	.	.	H	α-helix	trans	-65.1	-40.4	174.9	0	0	0	0	0	112.3	A18 A19 A25 A26	A18-A22 WeakPolarHBondContact O-CB 3.46Å; A18-A22 PolarHBondContact O-N 3.07Å; A19-A22 PolarHBondContact O-N 2.96Å; A22-A25 PolarHBondContact O-N 3.46Å; A22-A26 WeakPolarHBondContact O-CB 3.36Å; A22-A26 PolarHBondContact O-N 3.07Å
23	A	50.4	Low	46.1	Very low	27 Å²	27	71.8 Å²	71.8	22%	0.223	51%	0.505	C	S	.	.	H	α-helix	trans	-64.4	-42.1	175.2	0	0	0	0	0	112.2	A19 A20 A26 L27 M49	A19-A23 WeakPolarHBondContact O-CB 3.32Å; A19-A23 PolarHBondContact O-N 2.84Å; A20-A23 PolarHBondContact O-N 2.81Å; A23-A26 PolarHBondContact O-N 3.25Å; A23-L27 WeakPolarHBondContact O-CG 3.27Å; A23-L27 PolarHBondContact O-N 3.33Å; A23-M49 HydrophobicContact CB-CE 4.3Å; A23-M49 HydrophobicContact CB-SD 4.46Å
24	A	49.7	Very low	46.1	Very low	48 Å²	48	76.2 Å²	76.2	40%	0.397	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-42	174	0	0	0	0	0	112	A20 A21 L27 A28	A20-A24 PolarHBondContact O-N 3.35Å; A21-A24 PolarHBondContact O-N 2.9Å; A24-L27 PolarHBondContact O-N 3.5Å; A24-A28 WeakPolarHBondContact O-CB 3.37Å; A24-A28 PolarHBondContact O-N 3.48Å
25	A	50	Low	46.1	Very low	63 Å²	63	78.3 Å²	78.3	52%	0.521	52%	0.518	S	S	.	.	H	α-helix	trans	-65	-38.7	175.4	0	0	0	0	0	112.7	A21 A22 A28 A29	A21-A25 WeakPolarHBondContact O-CB 3.27Å; A21-A25 PolarHBondContact O-N 2.94Å; A22-A25 PolarHBondContact O-N 3.46Å; A25-A28 PolarHBondContact O-N 3.15Å; A25-A29 WeakPolarHBondContact O-CB 3.13Å; A25-A29 PolarHBondContact O-N 3.46Å
26	A	50	Low	45.9	Very low	49 Å²	49	81.3 Å²	81.3	41%	0.405	52%	0.523	S	S	.	.	H	α-helix	trans	-65.5	-44.2	175.4	0	0	0	0	0	112	A22 A23 A28 A29 V30	A22-A26 WeakPolarHBondContact O-CB 3.36Å; A22-A26 PolarHBondContact O-N 3.07Å; A23-A26 PolarHBondContact O-N 3.25Å; A26-A28 VanDerWaalsContact C-N 3.34Å; A26-A28 PolarHBondContact O-N 3.2Å; A26-A29 WeakPolarHBondContact O-CB 3.42Å; A26-A29 PolarHBondContact O-N 2.93Å; A26-V30 WeakPolarHBondContact O-CG2 3.42Å; A26-V30 PolarHBondContact O-N 2.96Å
27	L	49	Very low	45.8	Very low	114 Å²	114	81.7 Å²	81.7	60%	0.597	52%	0.518	S	S	*	.	H	α-helix	trans	-63.6	-38.8	174.6	-73.8	167.6	0	0	0	112	A23 A24 A29 V30 A31	A23-L27 WeakPolarHBondContact O-CG 3.27Å; A23-L27 PolarHBondContact O-N 3.33Å; A24-L27 PolarHBondContact O-N 3.5Å; L27-A29 VanDerWaalsContact C-N 3.35Å; L27-V30 PolarHBondContact O-N 3.28Å; L27-A31 WeakPolarHBondContact O-CB 3.42Å; L27-A31 PolarHBondContact O-N 3.13Å
28	A	47.5	Very low	45.4	Very low	57 Å²	57	81.6 Å²	81.6	47%	0.471	53%	0.526	S	S	.	.	H	α-helix	trans	-66.9	-32.9	173.4	0	0	0	0	0	113	A24 A25 A26 S32	A24-A28 WeakPolarHBondContact O-CB 3.37Å; A24-A28 PolarHBondContact O-N 3.48Å; A25-A28 PolarHBondContact O-N 3.15Å; A26-A28 VanDerWaalsContact C-N 3.34Å; A26-A28 PolarHBondContact O-N 3.2Å; A28-S32 WeakPolarHBondContact O-CB 3.36Å; A28-S32 PolarHBondContact O-N 3.16Å; A28-S32 VanDerWaalsContact O-N 3.1Å; A28-S32 PolarHBondContact O-OG 2.93Å
29	A	48.1	Very low	45.2	Very low	44 Å²	44	82.7 Å²	82.7	36%	0.364	52%	0.523	S	S	.	.	H	α-helix	trans	-67.7	-42.4	173.5	0	0	0	0	0	112	A25 A26 L27 S32 G33	A25-A29 WeakPolarHBondContact O-CB 3.13Å; A25-A29 PolarHBondContact O-N 3.46Å; A26-A29 WeakPolarHBondContact O-CB 3.42Å; A26-A29 PolarHBondContact O-N 2.93Å; L27-A29 VanDerWaalsContact C-N 3.35Å; A29-S32 WeakPolarHBondContact CA-OG 3.28Å; A29-S32 PolarHBondContact O-N 3.02Å; A29-S32 PolarHBondContact O-OG 2.87Å; A29-G33 PolarHBondContact O-N 3.05Å
30	V	46.6	Very low	44.9	Very low	97 Å²	97	84.7 Å²	84.7	59%	0.588	53%	0.529	S	S	*	.	H	α-helix	trans	-61.2	-46.5	172.7	172.2	0	0	0	0	110.8	A26 L27 S32 G33 W37	A26-V30 WeakPolarHBondContact O-CG2 3.42Å; A26-V30 PolarHBondContact O-N 2.96Å; L27-V30 PolarHBondContact O-N 3.28Å; V30-S32 PolarHBondContact O-N 2.71Å; V30-G33 PolarHBondContact O-N 3.49Å; V30-W37 HydrophobicContact CG2-CZ2 4.35Å
31	A	44.9	Very low	44.7	Very low	54 Å²	54	87.5 Å²	87.5	45%	0.446	54%	0.538	S	S	.	.	H	α-helix	trans	-68.3	-14.6	178.8	0	0	0	0	0	114.6	L27 A97	L27-A31 WeakPolarHBondContact O-CB 3.42Å; L27-A31 PolarHBondContact O-N 3.13Å; A31-A97 HydrophobicContact CB-CB 4.08Å
32	S	42.6	Very low	44.5	Very low	75 Å²	75	87.2 Å²	87.2	52%	0.524	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	10	-179.6	55.3	0	0	0	0	114.6	A28 A29 V30 R34	A28-S32 WeakPolarHBondContact O-CB 3.36Å; A28-S32 PolarHBondContact O-N 3.16Å; A28-S32 VanDerWaalsContact O-N 3.1Å; A28-S32 PolarHBondContact O-OG 2.93Å; A29-S32 WeakPolarHBondContact CA-OG 3.28Å; A29-S32 PolarHBondContact O-N 3.02Å; A29-S32 PolarHBondContact O-OG 2.87Å; V30-S32 PolarHBondContact O-N 2.71Å; S32-R34 VanDerWaalsContact C-N 3.29Å; S32-R34 PolarHBondContact O-N 3.26Å
33	G	40.1	Very low	44.1	Very low	48 Å²	48	91.8 Å²	91.8	50%	0.495	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	24	168.8	0	0	0	0	0	115.3	A29 V30 N35	A29-G33 PolarHBondContact O-N 3.05Å; V30-G33 PolarHBondContact O-N 3.49Å; G33-N35 PolarHBondContact O-N 3.01Å; G33-N35 PolarHBondContact O-OD1 3.37Å
34	R	39.7	Very low	44	Very low	202 Å²	202	93.3 Å²	93.3	76%	0.762	55%	0.545	S	S	*	.			trans	-81.1	93.8	176.9	-80.4	-174.6	163.3	-176.9	-4.7	110.8	S32 D36	S32-R34 VanDerWaalsContact C-N 3.29Å; S32-R34 PolarHBondContact O-N 3.26Å; R34-D36 PolarHBondContact O-N 3.29Å
35	N	41.3	Very low	43.8	Very low	141 Å²	141	93.9 Å²	93.9	75%	0.754	55%	0.55	S	S	*	.			trans	-75.9	36.8	-168.9	-63.6	-25.4	0	0	0	116	G33 W37	G33-N35 PolarHBondContact O-N 3.01Å; G33-N35 PolarHBondContact O-OD1 3.37Å; N35-W37 PolarHBondContact O-N 2.89Å
36	D	37.3	Very low	43.7	Very low	145 Å²	145	94.4 Å²	94.4	78%	0.775	55%	0.546	S	S	*	.			trans	-91.5	73.3	177.1	-99	-51.6	0	0	0	111.9	R34 S38	R34-D36 PolarHBondContact O-N 3.29Å; D36-S38 VanDerWaalsContact C-N 3.32Å; D36-S38 PolarHBondContact O-N 3.05Å
37	W	40.9	Very low	43.6	Very low	152 Å²	152	94 Å²	94	58%	0.576	54%	0.541	S	S	*	.			trans	-94.5	39.8	178.2	-76.7	78.4	0	0	0	113.2	V30 N35 N39	V30-W37 HydrophobicContact CG2-CZ2 4.35Å; N35-W37 PolarHBondContact O-N 2.89Å; W37-N39 VanDerWaalsContact C-N 3.32Å
38	S	38.5	Very low	43.5	Very low	107 Å²	107	93.1 Å²	93.1	75%	0.748	54%	0.537	S	S	*	.			trans	-79.2	-10.8	177.3	55.4	0	0	0	0	114	D36	D36-S38 VanDerWaalsContact C-N 3.32Å; D36-S38 PolarHBondContact O-N 3.05Å
39	N	41.1	Very low	43.5	Very low	86 Å²	86	94.9 Å²	94.9	46%	0.46	54%	0.536	S	S	.	.			trans	-112.8	110.4	-178	-169	-6	0	0	0	113.3	W37 D41	W37-N39 VanDerWaalsContact C-N 3.32Å; N39-D41 PolarHBondContact O-N 3.36Å; N39-D41 VanDerWaalsContact OD1-CB 3.31Å; N39-D41 WeakPolarHBondContact OD1-CB 3.31Å; N39-D41 VanDerWaalsContact OD1-CG 3.22Å; N39-D41 PolarHBondContact OD1-N 3.5Å; N39-D41 PolarHBondContact OD1-OD2 3.04Å
40	T	42.1	Very low	43.5	Very low	102 Å²	102	98 Å²	98	63%	0.626	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.2	175.8	-39.2	0	0	0	0	113.9	A42 Y43 N44	T40-A42 VanDerWaalsContact C-N 3.32Å; T40-A42 PolarHBondContact O-N 3.05Å; T40-Y43 PolarHBondContact O-N 3.26Å; T40-N44 PolarHBondContact O-N 3.38Å; T40-N44 PolarHBondContact O-ND2 2.85Å
41	D	41.1	Very low	43.5	Very low	106 Å²	106	97.1 Å²	97.1	57%	0.567	54%	0.537	S	S	*	.	H	α-helix	trans	-64.6	-34.1	-174.3	-62.5	-25.5	0	0	0	112.7	N39 Y43 N44 A45	N39-D41 PolarHBondContact O-N 3.36Å; N39-D41 VanDerWaalsContact OD1-CB 3.31Å; N39-D41 WeakPolarHBondContact OD1-CB 3.31Å; N39-D41 VanDerWaalsContact OD1-CG 3.22Å; N39-D41 PolarHBondContact OD1-N 3.5Å; N39-D41 PolarHBondContact OD1-OD2 3.04Å; D41-Y43 PolarHBondContact O-N 3.08Å; D41-N44 PolarHBondContact O-N 3.46Å; D41-A45 WeakPolarHBondContact O-CB 3.43Å; D41-A45 PolarHBondContact O-N 3.21Å
42	A	42.5	Very low	43.5	Very low	54 Å²	54	99.7 Å²	99.7	45%	0.446	54%	0.543	S	S	.	.	H	α-helix	trans	-64.3	-42	-176.8	0	0	0	0	0	112.4	T40 A45 V46	T40-A42 VanDerWaalsContact C-N 3.32Å; T40-A42 PolarHBondContact O-N 3.05Å; A42-A45 PolarHBondContact O-N 3.21Å; A42-V46 WeakPolarHBondContact O-CG2 3.45Å; A42-V46 PolarHBondContact O-N 2.89Å
43	Y	43.4	Very low	43.5	Very low	156 Å²	156	100.3 Å²	100.3	61%	0.612	54%	0.538	S	S	*	.	H	α-helix	trans	-65.2	-44.7	176.8	-176.3	-94.8	0	0	0	111.5	T40 D41 A45 V46 S47	T40-Y43 PolarHBondContact O-N 3.26Å; D41-Y43 PolarHBondContact O-N 3.08Å; Y43-A45 PolarHBondContact O-N 3.04Å; Y43-V46 PolarHBondContact O-N 3.42Å; Y43-S47 WeakPolarHBondContact O-CB 3.36Å; Y43-S47 PolarHBondContact O-N 2.84Å
44	N	48.4	Very low	43.6	Very low	60 Å²	60	107.9 Å²	107.9	32%	0.321	55%	0.552	S	S	.	*	H	α-helix	trans	-65.2	-38.4	178.7	-69.8	-36.5	0	0	0	112	T40 D41 S47 N48	T40-N44 PolarHBondContact O-N 3.38Å; T40-N44 PolarHBondContact O-ND2 2.85Å; D41-N44 PolarHBondContact O-N 3.46Å; N44-S47 PolarHBondContact O-N 2.92Å; N44-N48 WeakPolarHBondContact O-CB 3.41Å; N44-N48 VanDerWaalsContact O-CG 3.28Å; N44-N48 PolarHBondContact O-N 3.32Å; N44-N48 PolarHBondContact O-ND2 3.15Å
45	A	45.6	Very low	43.8	Very low	59 Å²	59	103.2 Å²	103.2	49%	0.488	55%	0.546	S	S	.	.	H	α-helix	trans	-61.8	-48.4	176	0	0	0	0	0	112	D41 A42 Y43 M49	D41-A45 WeakPolarHBondContact O-CB 3.43Å; D41-A45 PolarHBondContact O-N 3.21Å; A42-A45 PolarHBondContact O-N 3.21Å; Y43-A45 PolarHBondContact O-N 3.04Å; A45-M49 VanDerWaalsContact O-CB 3.29Å; A45-M49 WeakPolarHBondContact O-CB 3.23Å; A45-M49 PolarHBondContact O-N 2.97Å
46	V	47	Very low	43.5	Very low	74 Å²	74	102 Å²	102	45%	0.448	54%	0.536	S	S	.	.	H	α-helix	trans	-64	-43.2	177.9	174	0	0	0	0	111.4	A42 Y43 M49 M50	A42-V46 WeakPolarHBondContact O-CG2 3.45Å; A42-V46 PolarHBondContact O-N 2.89Å; Y43-V46 PolarHBondContact O-N 3.42Å; V46-M49 PolarHBondContact O-N 2.91Å; V46-M50 HydrophobicContact CG1-CE 4Å; V46-M50 WeakPolarHBondContact O-CG 3.26Å; V46-M50 PolarHBondContact O-N 3.41Å
47	S	47.2	Very low	43.4	Very low	42 Å²	42	100.4 Å²	100.4	29%	0.294	53%	0.533	S	S	.	.	H	α-helix	trans	-63.7	-45.8	179.2	-168.7	0	0	0	0	112.2	Y43 N44 M49 M50 N51	Y43-S47 WeakPolarHBondContact O-CB 3.36Å; Y43-S47 PolarHBondContact O-N 2.84Å; N44-S47 PolarHBondContact O-N 2.92Å; S47-M49 VanDerWaalsContact C-N 3.35Å; S47-M49 PolarHBondContact O-N 2.78Å; S47-M50 PolarHBondContact O-N 3.26Å; S47-N51 PolarHBondContact O-N 2.98Å; S47-N51 VanDerWaalsContact O-N 3.09Å; S47-N51 PolarHBondContact O-ND2 3.04Å
48	N	48.6	Very low	43.3	Very low	95 Å²	95	97.8 Å²	97.8	51%	0.508	54%	0.538	S	S	.	.	H	α-helix	trans	-64.3	-37.7	175.1	-72.9	-22.3	0	0	0	112.3	N44 N51 N52	N44-N48 WeakPolarHBondContact O-CB 3.41Å; N44-N48 VanDerWaalsContact O-CG 3.28Å; N44-N48 PolarHBondContact O-N 3.32Å; N44-N48 PolarHBondContact O-ND2 3.15Å; N48-N51 PolarHBondContact O-N 3.35Å; N48-N52 PolarHBondContact O-N 3.39Å
49	M	47.2	Very low	43	Very low	93 Å²	93	100 Å²	100	46%	0.458	54%	0.539	S	S	.	.	H	α-helix	trans	-64.3	-41.9	175.5	-178.2	177.7	154.9	0	0	112	A23 A45 V46 S47 N51 N52 M53	A23-M49 HydrophobicContact CB-CE 4.3Å; A23-M49 HydrophobicContact CB-SD 4.46Å; A45-M49 VanDerWaalsContact O-CB 3.29Å; A45-M49 WeakPolarHBondContact O-CB 3.23Å; A45-M49 PolarHBondContact O-N 2.97Å; V46-M49 PolarHBondContact O-N 2.91Å; S47-M49 VanDerWaalsContact C-N 3.35Å; S47-M49 PolarHBondContact O-N 2.78Å; M49-N51 VanDerWaalsContact C-N 3.34Å; M49-N51 PolarHBondContact O-N 3.42Å; M49-N52 PolarHBondContact O-N 3.36Å; M49-M53 HydrophobicContact CE-CE 4.31Å; M49-M53 HydrophobicContact CE-SD 4.32Å; M49-M53 HydrophobicContact CG-CE 4.32Å; M49-M53 WeakPolarHBondContact O-CG 3.41Å; M49-M53 PolarHBondContact O-N 3.23Å
50	M	47	Very low	42.7	Very low	111 Å²	111	100.8 Å²	100.8	55%	0.547	55%	0.546	S	S	.	.	H	α-helix	trans	-63.6	-37.5	174.3	-72.2	-168.8	-176.1	0	0	112.9	V46 S47 M53 R54	V46-M50 HydrophobicContact CG1-CE 4Å; V46-M50 WeakPolarHBondContact O-CG 3.26Å; V46-M50 PolarHBondContact O-N 3.41Å; S47-M50 PolarHBondContact O-N 3.26Å; M50-M53 HydrophobicContact CG-CE 4.16Å; M50-R54 PolarHBondContact O-N 3.25Å
51	N	46.6	Very low	42.1	Very low	78 Å²	78	100 Å²	100	42%	0.417	55%	0.551	S	S	.	*	H	α-helix	trans	-67.6	-44	175.5	-70.4	-34.5	0	0	0	111.6	S47 N48 M49 M53 R54 T55	S47-N51 PolarHBondContact O-N 2.98Å; S47-N51 VanDerWaalsContact O-N 3.09Å; S47-N51 PolarHBondContact O-ND2 3.04Å; N48-N51 PolarHBondContact O-N 3.35Å; M49-N51 VanDerWaalsContact C-N 3.34Å; M49-N51 PolarHBondContact O-N 3.42Å; N51-M53 VanDerWaalsContact C-N 3.3Å; N51-M53 PolarHBondContact O-N 3.45Å; N51-R54 WeakPolarHBondContact O-CB 3.11Å; N51-R54 PolarHBondContact O-N 3.21Å; N51-T55 PolarHBondContact O-N 2.88Å
52	N	45.5	Very low	41.6	Very low	108 Å²	108	100.5 Å²	100.5	58%	0.578	56%	0.561	S	S	*	*	H	α-helix	trans	-64.2	-32	176.9	-72	-9.8	0	0	0	113	N48 M49 R54 T55	N48-N52 PolarHBondContact O-N 3.39Å; M49-N52 PolarHBondContact O-N 3.36Å; N52-R54 VanDerWaalsContact C-N 3.28Å; N52-R54 PolarHBondContact O-N 3.34Å; N52-T55 WeakPolarHBondContact CA-OG1 3.4Å; N52-T55 PolarHBondContact O-N 3.03Å; N52-T55 PolarHBondContact O-OG1 3.27Å
53	M	41.6	Very low	41.1	Very low	87 Å²	87	102.2 Å²	102.2	43%	0.429	57%	0.57	S	S	.	*	H	α-helix	trans	-66.8	-27.5	172.7	-73.7	-172.2	-65	0	0	113	M49 M50 N51	M49-M53 HydrophobicContact CE-CE 4.31Å; M49-M53 HydrophobicContact CE-SD 4.32Å; M49-M53 HydrophobicContact CG-CE 4.32Å; M49-M53 WeakPolarHBondContact O-CG 3.41Å; M49-M53 PolarHBondContact O-N 3.23Å; M50-M53 HydrophobicContact CG-CE 4.16Å; N51-M53 VanDerWaalsContact C-N 3.3Å; N51-M53 PolarHBondContact O-N 3.45Å
54	R	43.1	Very low	40.5	Very low	208 Å²	208	102.8 Å²	102.8	79%	0.785	58%	0.583	S	S	*	*	H	α-helix	trans	-78.3	-18.6	176.2	-71.5	177.6	174.7	173.1	-0.9	113.9	M50 N51 N52	M50-R54 PolarHBondContact O-N 3.25Å; N51-R54 WeakPolarHBondContact O-CB 3.11Å; N51-R54 PolarHBondContact O-N 3.21Å; N52-R54 VanDerWaalsContact C-N 3.28Å; N52-R54 PolarHBondContact O-N 3.34Å
55	T	43.8	Very low	39.8	Very low	104 Å²	104	104.5 Å²	104.5	64%	0.638	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	6.3	-176.8	52.1	0	0	0	0	114.2	N51 N52 P57	N51-T55 PolarHBondContact O-N 2.88Å; N52-T55 WeakPolarHBondContact CA-OG1 3.4Å; N52-T55 PolarHBondContact O-N 3.03Å; N52-T55 PolarHBondContact O-OG1 3.27Å; T55-P57 WeakPolarHBondContact O-CD 3.46Å
56	H	34.3	Very low	39.1	Very low	116 Å²	116	105.7 Å²	105.7	54%	0.537	62%	0.618	S	S	.	*			trans	-77	122.6	-176.3	-111.2	-88.4	0	0	0	112.7	S58 M59	H56-S58 PolarHBondContact O-N 2.74Å; H56-M59 PolarHBondContact O-N 3.4Å
57	P	36.1	Very low	38.2	Very low	110 Å²	110	109 Å²	109	71%	0.714	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-10.2	-173.9	-26.4	35.7	0	0	0	116.7	T55	T55-P57 WeakPolarHBondContact O-CD 3.46Å
58	S	38.2	Very low	37.4	Very low	98 Å²	98	115.5 Å²	115.5	69%	0.685	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-9.1	179.8	51	0	0	0	0	114.6	H56	H56-S58 PolarHBondContact O-N 2.74Å
59	M	33.6	Very low	36.5	Very low	154 Å²	154	116.1 Å²	116.1	76%	0.759	68%	0.676	S	S	*	*	S	Bend	trans	-104.8	-6.8	174.8	-74.6	-167.1	160.6	0	0	114	H56 A61	H56-M59 PolarHBondContact O-N 3.4Å; M59-A61 VanDerWaalsContact C-N 3.25Å; M59-A61 PolarHBondContact O-N 3.46Å
60	T	33.1	Very low	35.9	Very low	101 Å²	101	120.8 Å²	120.8	62%	0.62	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-79.5	-3.7	-177.9	-25.6	0	0	0	0	113.7
61	A	31	Very low	35	Very low	87 Å²	87	120.4 Å²	120.4	72%	0.719	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-83.9	-15.3	-171.3	0	0	0	0	0	115.4	M59	M59-A61 VanDerWaalsContact C-N 3.25Å; M59-A61 PolarHBondContact O-N 3.46Å
62	C	30.4	Very low	34.2	Very low	115 Å²	115	122.5 Å²	122.5	78%	0.777	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-101	12.5	-174.6	-58.7	0	0	0	0	114.1
63	S	31.1	Very low	33.5	Very low	91 Å²	91	124.5 Å²	124.5	64%	0.636	74%	0.735	S	S	*	*	S	Bend	trans	-118.6	30	-168.1	-54.4	0	0	0	0	113.7
64	N	31.3	Very low	33.1	Very low	167 Å²	167	127.1 Å²	127.1	89%	0.893	75%	0.749	S	S	*	*			trans	-157.3	57.5	178.2	-95.6	-40.3	0	0	0	112.6
65	S	34.1	Very low	32.3	Very low	97 Å²	97	121.7 Å²	121.7	68%	0.678	74%	0.741	S	S	*	*			trans	-145.3	89.4	172.6	57.2	0	0	0	0	110.9	D67	S65-D67 VanDerWaalsContact C-N 3.31Å; S65-D67 PolarHBondContact O-N 2.93Å; S65-D67 VanDerWaalsContact O-N 3.13Å
66	G	29.9	Very low	31.6	Very low	84 Å²	84	123 Å²	123	87%	0.866	75%	0.754	S	S	*	*			trans	-84.1	65.7	178.3	0	0	0	0	0	112.9
67	D	28.5	Very low	31.5	Very low	142 Å²	142	122.7 Å²	122.7	76%	0.759	77%	0.765	S	S	*	*			trans	-153.8	119.7	164.2	-99.5	-41.4	0	0	0	108.9	S65	S65-D67 VanDerWaalsContact C-N 3.31Å; S65-D67 PolarHBondContact O-N 2.93Å; S65-D67 VanDerWaalsContact O-N 3.13Å
68	L	31.2	Very low	31.4	Very low	180 Å²	180	121.2 Å²	121.2	94%	0.942	76%	0.757	S	S	*	*			trans	-119.9	68	178.8	-76.5	177.7	0	0	0	110.5
69	S	28.6	Very low	31.2	Very low	107 Å²	107	124 Å²	124	75%	0.748	76%	0.763	S	S	*	*			trans	-141.4	29	173.2	67.6	0	0	0	0	114.1
70	E	34.4	Very low	31.3	Very low	192 Å²	192	122.1 Å²	122.1	90%	0.897	77%	0.766	S	S	*	*	S	Bend	trans	-148.2	146.7	166.9	-128.1	168.5	-150.4	0	0	112.7
71	S	29.6	Very low	32.1	Very low	102 Å²	102	120.5 Å²	120.5	71%	0.713	76%	0.758	S	S	*	*			trans	-95.3	100.9	-166.8	57.5	0	0	0	0	113.1	N73	S71-N73 PolarHBondContact O-N 2.96Å
72	C	29.1	Very low	33	Very low	122 Å²	122	121.3 Å²	121.3	82%	0.824	76%	0.756	S	S	*	*			trans	-74	83.8	173.8	-74.4	0	0	0	0	112.7	I74	C72-I74 PolarHBondContact O-N 2.9Å
73	N	29.8	Very low	33.5	Very low	151 Å²	151	122.8 Å²	122.8	81%	0.807	75%	0.746	S	S	*	*			trans	-63.7	113.7	164.7	-80.3	-39.6	0	0	0	110.5	S71	S71-N73 PolarHBondContact O-N 2.96Å
74	I	33.4	Very low	34.4	Very low	141 Å²	141	120.4 Å²	120.4	72%	0.723	73%	0.733	S	S	*	*			trans	-100.7	126.1	171.4	-60.5	-179.5	0	0	0	108.9	C72	C72-I74 PolarHBondContact O-N 2.9Å
75	P	27.6	Very low	35.2	Very low	95 Å²	95	115.6 Å²	115.6	62%	0.617	72%	0.716	S	S	*	*			trans	-65.2	141.9	-177	-23.2	34.2	0	0	0	114	S77	P75-S77 PolarHBondContact O-N 2.87Å
76	S	29.1	Very low	36	Very low	132 Å²	132	115 Å²	115	92%	0.923	71%	0.708	S	S	*	*	S	Bend	trans	-75.4	36.6	-175.7	46.4	0	0	0	0	115
77	S	32.3	Very low	37	Very low	108 Å²	108	115.3 Å²	115.3	76%	0.755	69%	0.689	S	S	*	*			trans	-134.7	23.2	-170.8	71.8	0	0	0	0	115.1	P75	P75-S77 PolarHBondContact O-N 2.87Å
78	S	33	Very low	38.2	Very low	79 Å²	79	114.8 Å²	114.8	55%	0.552	69%	0.686	S	S	*	*			trans	-122.4	-6.3	-172.3	59.2	0	0	0	0	116.1	S80	S78-S80 PolarHBondContact O-N 3.18Å
79	L	33.8	Very low	39.2	Very low	157 Å²	157	109 Å²	109	82%	0.822	67%	0.665	S	S	*	*			trans	-80	63.3	177	-76.9	92.3	0	0	0	112.8
80	S	35.8	Very low	40.2	Very low	115 Å²	115	105.7 Å²	105.7	80%	0.804	64%	0.643	S	S	*	*			trans	-114.2	59.6	172.2	67.9	0	0	0	0	111.5	S78	S78-S80 PolarHBondContact O-N 3.18Å
81	S	50.6	Low	41	Very low	66 Å²	66	101 Å²	101	46%	0.462	63%	0.628	S	S	.	*			trans	-126.2	129.4	170.3	176.3	0	0	0	0	110.1	Y83 A84	S81-Y83 PolarHBondContact O-N 3.15Å; S81-Y83 VanDerWaalsContact O-N 3.17Å; S81-Y83 PolarHBondContact OG-N 2.91Å; S81-A84 PolarHBondContact O-N 3.25Å
82	P	49.7	Very low	42	Very low	104 Å²	104	98.8 Å²	98.8	68%	0.675	62%	0.616	S	S	*	*	H	α-helix	trans	-61.6	-26.5	179.9	26.1	-34.5	0	0	0	112.2	A84 A85 T86	P82-A84 VanDerWaalsContact C-N 3.35Å; P82-A84 PolarHBondContact O-N 3.41Å; P82-A85 PolarHBondContact O-N 3.3Å; P82-T86 PolarHBondContact O-N 3.42Å; P82-T86 PolarHBondContact O-OG1 2.95Å; P82-T86 VanDerWaalsContact O-OG1 3.08Å
83	Y	41.7	Very low	42.9	Very low	146 Å²	146	96 Å²	96	57%	0.573	60%	0.601	S	S	*	*	H	α-helix	trans	-60.9	-41.2	178.5	-167.2	-100.8	0	0	0	112.6	S81 T86 L87	S81-Y83 PolarHBondContact O-N 3.15Å; S81-Y83 VanDerWaalsContact O-N 3.17Å; S81-Y83 PolarHBondContact OG-N 2.91Å; Y83-T86 PolarHBondContact O-N 3.43Å; Y83-L87 HydrophobicContact CD1-CD1 3.95Å; Y83-L87 HydrophobicContact CE1-CD1 3.52Å; Y83-L87 WeakPolarHBondContact O-CB 3.18Å; Y83-L87 PolarHBondContact O-N 3.1Å
84	A	49.4	Very low	43.7	Very low	42 Å²	42	91.3 Å²	91.3	35%	0.347	58%	0.583	S	S	.	*	H	α-helix	trans	-68.1	-41.8	178.7	0	0	0	0	0	111.8	S81 P82 L87 L88	S81-A84 PolarHBondContact O-N 3.25Å; P82-A84 VanDerWaalsContact C-N 3.35Å; P82-A84 PolarHBondContact O-N 3.41Å; A84-L87 PolarHBondContact O-N 3.43Å; A84-L88 WeakPolarHBondContact O-CB 3.4Å; A84-L88 PolarHBondContact O-N 2.95Å
85	A	47.9	Very low	44.3	Very low	66 Å²	66	87.2 Å²	87.2	55%	0.545	57%	0.57	S	S	.	*	H	α-helix	trans	-63.6	-42.5	175.7	0	0	0	0	0	111.9	P82 L88 A89	P82-A85 PolarHBondContact O-N 3.3Å; A85-L88 PolarHBondContact O-N 2.9Å; A85-A89 VanDerWaalsContact O-CB 3.28Å; A85-A89 WeakPolarHBondContact O-CB 3.48Å; A85-A89 PolarHBondContact O-N 2.58Å
86	T	50.9	Low	45.3	Very low	84 Å²	84	86 Å²	86	52%	0.515	57%	0.569	S	S	.	*	H	α-helix	trans	-65.1	-41.6	176.4	-60	0	0	0	0	112.3	P82 Y83 A90	P82-T86 PolarHBondContact O-N 3.42Å; P82-T86 PolarHBondContact O-OG1 2.95Å; P82-T86 VanDerWaalsContact O-OG1 3.08Å; Y83-T86 PolarHBondContact O-N 3.43Å; T86-A90 WeakPolarHBondContact O-CB 3.47Å; T86-A90 PolarHBondContact O-N 3.06Å
87	L	50.3	Low	46.2	Very low	90 Å²	90	82.3 Å²	82.3	47%	0.471	55%	0.546	S	S	.	.	H	α-helix	trans	-61.4	-47.3	175	-106.2	164.5	0	0	0	111.8	Y83 A84 A90 V91	Y83-L87 HydrophobicContact CD1-CD1 3.95Å; Y83-L87 HydrophobicContact CE1-CD1 3.52Å; Y83-L87 WeakPolarHBondContact O-CB 3.18Å; Y83-L87 PolarHBondContact O-N 3.1Å; A84-L87 PolarHBondContact O-N 3.43Å; L87-A90 PolarHBondContact O-N 2.81Å; L87-V91 WeakPolarHBondContact O-CG2 3.36Å; L87-V91 PolarHBondContact O-N 3.45Å
88	L	55.2	Low	46.6	Very low	131 Å²	131	80.4 Å²	80.4	69%	0.686	54%	0.537	S	S	*	.	H	α-helix	trans	-68.1	-36.9	-178.2	-160.7	149.8	0	0	0	111.4	A84 A85 A92	A84-L88 WeakPolarHBondContact O-CB 3.4Å; A84-L88 PolarHBondContact O-N 2.95Å; A85-L88 PolarHBondContact O-N 2.9Å; L88-A92 WeakPolarHBondContact O-CB 3.44Å; L88-A92 PolarHBondContact O-N 2.73Å
89	A	52.2	Low	46.9	Very low	60 Å²	60	85.9 Å²	85.9	50%	0.496	55%	0.547	S	S	.	.	H	α-helix	trans	-65.3	-39.7	171.1	0	0	0	0	0	113	A85 A92 A93	A85-A89 VanDerWaalsContact O-CB 3.28Å; A85-A89 WeakPolarHBondContact O-CB 3.48Å; A85-A89 PolarHBondContact O-N 2.58Å; A89-A92 PolarHBondContact O-N 2.93Å; A89-A93 WeakPolarHBondContact O-CB 3.49Å; A89-A93 PolarHBondContact O-N 3.28Å
90	A	48.3	Very low	47.4	Very low	36 Å²	36	83.8 Å²	83.8	30%	0.298	54%	0.542	S	S	.	.	H	α-helix	trans	-66.5	-41.1	176.5	0	0	0	0	0	112.1	T86 L87 A93 A94	T86-A90 WeakPolarHBondContact O-CB 3.47Å; T86-A90 PolarHBondContact O-N 3.06Å; L87-A90 PolarHBondContact O-N 2.81Å; A90-A93 PolarHBondContact O-N 2.92Å; A90-A94 WeakPolarHBondContact O-CB 3.34Å; A90-A94 PolarHBondContact O-N 2.92Å
91	V	51	Low	47.4	Very low	95 Å²	95	85.6 Å²	85.6	58%	0.576	54%	0.542	S	S	*	.	H	α-helix	trans	-64.8	-43.2	173.8	172	0	0	0	0	111.1	L87 A93 A94 A95	L87-V91 WeakPolarHBondContact O-CG2 3.36Å; L87-V91 PolarHBondContact O-N 3.45Å; V91-A93 PolarHBondContact O-N 3.26Å; V91-A94 PolarHBondContact O-N 3.48Å; V91-A95 WeakPolarHBondContact O-CB 3.33Å; V91-A95 PolarHBondContact O-N 3.35Å
92	A	51.8	Low	46.7	Very low	55 Å²	55	88.4 Å²	88.4	46%	0.455	56%	0.559	S	S	.	*	H	α-helix	trans	-63	-40.7	175.9	0	0	0	0	0	112.6	L88 A89 A95 A96	L88-A92 WeakPolarHBondContact O-CB 3.44Å; L88-A92 PolarHBondContact O-N 2.73Å; A89-A92 PolarHBondContact O-N 2.93Å; A92-A95 PolarHBondContact O-N 2.82Å; A92-A96 WeakPolarHBondContact O-CB 3.47Å; A92-A96 PolarHBondContact O-N 2.85Å
93	A	48.2	Very low	46.1	Very low	63 Å²	63	92.4 Å²	92.4	52%	0.521	57%	0.569	S	S	.	*	H	α-helix	trans	-65.5	-40.5	175.4	0	0	0	0	0	112.3	A89 A90 V91 A96 A97	A89-A93 WeakPolarHBondContact O-CB 3.49Å; A89-A93 PolarHBondContact O-N 3.28Å; A90-A93 PolarHBondContact O-N 2.92Å; V91-A93 PolarHBondContact O-N 3.26Å; A93-A96 PolarHBondContact O-N 2.99Å; A93-A97 WeakPolarHBondContact O-CB 3.32Å; A93-A97 PolarHBondContact O-N 2.97Å
94	A	45.9	Very low	45.7	Very low	52 Å²	52	89.1 Å²	89.1	43%	0.43	58%	0.579	S	S	.	*	H	α-helix	trans	-64.8	-41	174.5	0	0	0	0	0	112.2	A90 V91 A97 A98	A90-A94 WeakPolarHBondContact O-CB 3.34Å; A90-A94 PolarHBondContact O-N 2.92Å; V91-A94 PolarHBondContact O-N 3.48Å; A94-A97 PolarHBondContact O-N 3.32Å; A94-A98 WeakPolarHBondContact O-CB 3.29Å; A94-A98 PolarHBondContact O-N 2.95Å
95	A	46.4	Very low	44.7	Very low	55 Å²	55	92.1 Å²	92.1	46%	0.455	60%	0.604	S	S	.	*	H	α-helix	trans	-64.1	-41.2	175.1	0	0	0	0	0	112.3	V91 A92 A98 Y99	V91-A95 WeakPolarHBondContact O-CB 3.33Å; V91-A95 PolarHBondContact O-N 3.35Å; A92-A95 PolarHBondContact O-N 2.82Å; A95-A98 PolarHBondContact O-N 2.73Å; A95-Y99 PolarHBondContact O-N 3.25Å
96	A	48.1	Very low	44.2	Very low	71 Å²	71	93.5 Å²	93.5	59%	0.587	62%	0.615	S	S	*	*	H	α-helix	trans	-66.1	-35.8	175.6	0	0	0	0	0	112.8	A92 A93	A92-A96 WeakPolarHBondContact O-CB 3.47Å; A92-A96 PolarHBondContact O-N 2.85Å; A93-A96 PolarHBondContact O-N 2.99Å
97	A	47.5	Very low	43.3	Very low	54 Å²	54	97.1 Å²	97.1	45%	0.446	63%	0.632	S	S	.	*	H	α-helix	trans	-70	-32.1	174.5	0	0	0	0	0	112.9	A31 A93 A94 Y99	A31-A97 HydrophobicContact CB-CB 4.08Å; A93-A97 WeakPolarHBondContact O-CB 3.32Å; A93-A97 PolarHBondContact O-N 2.97Å; A94-A97 PolarHBondContact O-N 3.32Å; A97-Y99 VanDerWaalsContact C-N 3.32Å; A97-Y99 PolarHBondContact O-N 3.46Å
98	A	41.4	Very low	42.5	Very low	67 Å²	67	97.8 Å²	97.8	55%	0.554	65%	0.65	S	S	*	*	H	α-helix	trans	-73	-19.4	179.7	0	0	0	0	0	114.3	A94 A95	A94-A98 WeakPolarHBondContact O-CB 3.29Å; A94-A98 PolarHBondContact O-N 2.95Å; A95-A98 PolarHBondContact O-N 2.73Å
99	Y	39	Very low	41.5	Very low	194 Å²	194	97.9 Å²	97.9	76%	0.761	66%	0.656	S	S	*	*	S	Bend	trans	-129.9	77.8	-178.1	-70.9	-81.7	0	0	0	112.1	A95 A97 L101	A95-Y99 PolarHBondContact O-N 3.25Å; A97-Y99 VanDerWaalsContact C-N 3.32Å; A97-Y99 PolarHBondContact O-N 3.46Å; Y99-L101 PolarHBondContact O-N 3.04Å
100	P	43.3	Very low	40.5	Very low	113 Å²	113	100.6 Å²	100.6	73%	0.734	67%	0.671	S	S	*	*			trans	-65.1	109.7	171.8	27.3	-33.7	0	0	0	110.4
101	L	36.6	Very low	39.8	Very low	153 Å²	153	102.2 Å²	102.2	80%	0.801	69%	0.692	S	S	*	*			trans	-56.9	135.5	170.4	-74.6	168.6	0	0	0	110	Y99 Q103	Y99-L101 PolarHBondContact O-N 3.04Å; L101-Q103 PolarHBondContact O-N 2.97Å
102	P	35.2	Very low	39.1	Very low	125 Å²	125	107.3 Å²	107.3	81%	0.812	71%	0.709	S	S	*	*			trans	-70.8	97.1	-179.1	28.5	-34.2	0	0	0	110.5	G104	P102-G104 PolarHBondContact O-N 3.41Å
103	Q	37.3	Very low	38.3	Very low	189 Å²	189	111.5 Å²	111.5	88%	0.883	73%	0.729	S	S	*	*			trans	-66.7	126.4	170.4	-66.1	-169.2	5.9	0	0	109.7	L101 A105	L101-Q103 PolarHBondContact O-N 2.97Å; Q103-A105 PolarHBondContact O-N 2.79Å
104	G	33.3	Very low	37.6	Very low	76 Å²	76	112.1 Å²	112.1	78%	0.784	74%	0.742	S	S	*	*			trans	-64.3	131.9	-178.9	0	0	0	0	0	112.1	P102 A106	P102-G104 PolarHBondContact O-N 3.41Å; G104-A106 PolarHBondContact O-N 3.02Å; G104-A106 VanDerWaalsContact O-N 3.13Å
105	A	30.1	Very low	37.2	Very low	105 Å²	105	121 Å²	121	87%	0.868	76%	0.764	S	S	*	*			trans	-67.9	109.3	179.1	0	0	0	0	0	111.2	Q103	Q103-A105 PolarHBondContact O-N 2.79Å
106	A	36.8	Very low	36.4	Very low	96 Å²	96	123 Å²	123	79%	0.793	77%	0.774	S	S	*	*			trans	-74.8	140.5	172	0	0	0	0	0	111	G104 A108	G104-A106 PolarHBondContact O-N 3.02Å; G104-A106 VanDerWaalsContact O-N 3.13Å; A106-A108 PolarHBondContact O-N 2.94Å
107	N	31.4	Very low	35.8	Very low	160 Å²	160	129.4 Å²	129.4	86%	0.856	79%	0.79	S	S	*	*			trans	-61.4	125.7	-172.2	-63.7	-62.7	0	0	0	113.6
108	A	33.1	Very low	35.2	Very low	104 Å²	104	134.6 Å²	134.6	86%	0.86	81%	0.809	S	S	*	*			trans	-104.4	107.4	159.1	0	0	0	0	0	108.8	A106	A106-A108 PolarHBondContact O-N 2.94Å
109	V	35.3	Very low	35.1	Very low	132 Å²	132	136.7 Å²	136.7	80%	0.8	82%	0.817	S	S	*	*			trans	-78.6	145.3	-174.1	173.6	0	0	0	0	111.6
110	S	31.2	Very low	34.8	Very low	117 Å²	117	134.9 Å²	134.9	82%	0.818	82%	0.82	S	S	*	*			trans	-55.2	144.7	-178.6	56.9	0	0	0	0	114.9
111	G	33.2	Very low	34.7	Very low	71 Å²	71	134.3 Å²	134.3	73%	0.732	82%	0.817	S	S	*	*			trans	-160.7	57.5	176.8	0	0	0	0	0	117.1
112	Q	36.8	Very low	34.4	Very low	201 Å²	201	132.1 Å²	132.1	94%	0.939	81%	0.814	S	S	*	*			trans	-171.7	134.9	141.2	-107.8	167.8	24.8	0	0	113.8
113	T	33.7	Very low	34.5	Very low	144 Å²	144	134.2 Å²	134.2	88%	0.883	82%	0.815	S	S	*	*			trans	-106.8	136.4	171.5	50.1	0	0	0	0	110.1
114	G	34.6	Very low	34.4	Very low	76 Å²	76	131.2 Å²	131.2	78%	0.784	81%	0.805	S	S	*	*			trans	-150.7	16.1	-162	0	0	0	0	0	121
115	R	35.9	Very low	34.3	Very low	238 Å²	238	134.5 Å²	134.5	90%	0.898	81%	0.805	S	S	*	*			trans	58.8	101.9	171.9	-63	-178.6	176.9	-144.3	-2.1	116.4
116	S	31.4	Very low	34.5	Very low	96 Å²	96	141.4 Å²	141.4	67%	0.671	81%	0.808	S	S	*	*				67.4	103.7	76.6	76.2	0	0	0	0	116.2
117	F	34.6	Very low	34.1	Very low	207 Å²	207	141.4 Å²	141.4	91%	0.908	81%	0.809	S	S	*	*			trans	-158.6	133.2	134.2	-98.9	-67.4	0	0	0	110.7
118	L	34.7	Very low	34.2	Very low	163 Å²	163	137.9 Å²	137.9	85%	0.853	80%	0.801	S	S	*	*			trans	-125.2	178.4	167.5	-65.4	173.7	0	0	0	106
119	P	39.6	Very low	34	Very low	111 Å²	111	139.4 Å²	139.4	72%	0.721	80%	0.795	S	S	*	*			cis	-138.2	-169.2	3.5	38.9	-18.5	0	0	0	115.4
120	N	33.6	Very low	33.9	Very low	155 Å²	155	143 Å²	143	83%	0.829	80%	0.801	S	S	*	*			trans	115.7	143.7	133.5	-127.2	36	0	0	0	118.4
121	P	40.3	Very low	33.9	Very low	102 Å²	102	143.1 Å²	143.1	66%	0.662	80%	0.797	S	S	*	*			trans	-117.3	-162.7	-167.8	45.5	-35.6	0	0	0	114.6
122	S	30.5	Very low	33.9	Very low	107 Å²	107	146 Å²	146	75%	0.748	80%	0.8	S	S	*	*			trans	96.9	165.1	168.1	82	0	0	0	0	117.1
123	M	37	Very low	33.8	Very low	168 Å²	168	143.8 Å²	143.8	83%	0.828	79%	0.792	S	S	*	*			trans	71.9	142.8	-169.5	-58.1	-76.1	176.6	0	0	115.9
124	N	35.6	Very low	33.9	Very low	127 Å²	127	146.3 Å²	146.3	68%	0.679	79%	0.786	S	S	*	*			cis	-159.4	171.6	-38.2	-140.4	-35.7	0	0	0	110.5
125	N	31.2	Very low	33.8	Very low	144 Å²	144	151.2 Å²	151.2	77%	0.77	79%	0.786	S	S	*	*			trans	-49.8	140.5	176.9	-67.2	-64	0	0	0	115.2
126	R	33.1	Very low	33.7	Very low	250 Å²	250	143.8 Å²	143.8	94%	0.943	78%	0.784	S	S	*	*				-165.3	154.5	119.1	-110.5	168.3	-178.8	139.5	1.1	113.5
127	A	29.4	Very low	33.7	Very low	97 Å²	97	144 Å²	144	80%	0.802	79%	0.785	S	S	*	*			trans	-123.2	-176.6	171.3	0	0	0	0	0	109.4
128	A	33	Very low	33.7	Very low	85 Å²	85	139.9 Å²	139.9	70%	0.702	78%	0.782	S	S	*	*			trans	84.7	122	178.4	0	0	0	0	0	117.2
129	D	29.7	Very low	33.6	Very low	137 Å²	137	137.1 Å²	137.1	73%	0.733	78%	0.783	S	S	*	*			trans	48.7	136	139.1	-51.7	-38.6	0	0	0	121.9
130	F	33.5	Very low	33.1	Very low	208 Å²	208	142.6 Å²	142.6	91%	0.912	79%	0.789	S	S	*	*				-168.9	164.5	92.4	-105.4	-76.6	0	0	0	113.2
131	T	29.5	Very low	33.1	Very low	119 Å²	119	141 Å²	141	73%	0.73	79%	0.787	S	S	*	*			trans	-103.2	173.2	-169.3	-62.1	0	0	0	0	113.1
132	T	34.5	Very low	32.6	Very low	131 Å²	131	140.9 Å²	140.9	80%	0.804	79%	0.789	S	S	*	*			trans	75.3	148.5	168.2	15.5	0	0	0	0	115.3
133	M	35.4	Very low	32.7	Very low	155 Å²	155	142.8 Å²	142.8	76%	0.764	80%	0.796	S	S	*	*			cis	-126.8	-175.1	12.6	-61.5	-179.6	-80.8	0	0	110.9
134	Y	35.4	Very low	32.4	Very low	196 Å²	196	140.3 Å²	140.3	77%	0.769	79%	0.79	S	S	*	*			cis	-140.5	-120.9	11.5	-143.4	-74.2	0	0	0	112.2
135	F	32	Very low	32	Very low	180 Å²	180	141.1 Å²	141.1	79%	0.789	80%	0.795	S	S	*	*			trans	-140.9	160	-168.2	-83.4	-109	0	0	0	114
136	G	34.7	Very low	31.9	Very low	82 Å²	82	138.1 Å²	138.1	85%	0.845	79%	0.79	S	S	*	*			trans	-174.9	58.4	173.3	0	0	0	0	0	113.9
137	S	31	Very low	31.7	Very low	99 Å²	99	133 Å²	133	69%	0.692	78%	0.781	S	S	*	*			trans	-81.7	144.8	-168	-49.6	0	0	0	0	115.3
138	S	34.2	Very low	31.7	Very low	122 Å²	122	137.4 Å²	137.4	85%	0.853	79%	0.785	S	S	*	*			trans	-164.6	129.9	136.3	-88.2	0	0	0	0	115.5
139	A	32.6	Very low	31.7	Very low	105 Å²	105	142 Å²	142	87%	0.868	80%	0.797	S	S	*	*			trans	17.1	125.9	157.6	0	0	0	0	0	122.3
140	R	28.5	Very low	31.7	Very low	225 Å²	225	143.5 Å²	143.5	85%	0.849	81%	0.805	S	S	*	*			trans	-120	130.7	155.2	-176.7	-169.4	-162.1	-133.4	8.5	108.8
141	P	34.9	Very low	31.6	Very low	121 Å²	121	136.8 Å²	136.8	79%	0.786	80%	0.795	S	S	*	*			trans	-92.8	148.8	165.7	34.2	-30.5	0	0	0	111.4
142	S	28.1	Very low	31.8	Very low	100 Å²	100	139.8 Å²	139.8	70%	0.699	81%	0.805	S	S	*	*			trans	-137.4	119.5	175.7	56	0	0	0	0	110.7
143	V	33.9	Very low	31.6	Very low	147 Å²	147	142 Å²	142	89%	0.891	81%	0.811	S	S	*	*			trans	-138.2	155.1	168.7	-174.6	0	0	0	0	108.9
144	T	29.5	Very low	31.4	Very low	116 Å²	116	138 Å²	138	71%	0.712	81%	0.809	S	S	*	*			trans	-102.6	-178.4	-165.6	49.3	0	0	0	0	114.1
145	N	29	Very low	31.4	Very low	145 Å²	145	135.7 Å²	135.7	78%	0.775	81%	0.811	S	S	*	*			trans	87.1	101.1	154.8	-66.8	-7.5	0	0	0	120.4
146	A	27.7	Very low	31.5	Very low	81 Å²	81	134.4 Å²	134.4	67%	0.669	81%	0.811	S	S	*	*				66.6	129.9	109.3	0	0	0	0	0	121.8
147	N	28.5	Very low	31.6	Very low	142 Å²	142	135.6 Å²	135.6	76%	0.759	80%	0.804	S	S	*	*			trans	50.5	93.3	140.2	-59	-3.3	0	0	0	118.9
148	Q	30.5	Very low	31.6	Very low	189 Å²	189	137.7 Å²	137.7	88%	0.883	81%	0.807	S	S	*	*				-178.7	129.6	114.6	-98.9	154.2	101.7	0	0	112.2
149	L	33.1	Very low	31.6	Very low	181 Å²	181	142.9 Å²	142.9	95%	0.948	81%	0.808	S	S	*	*				-173.9	103.4	127.2	-103.2	165.3	0	0	0	108.7
150	N	29.2	Very low	31.5	Very low	169 Å²	169	143.1 Å²	143.1	90%	0.904	80%	0.801	S	S	*	*			trans	-103.5	144.7	176.1	-136.5	-0.4	0	0	0	108.1
151	G	31.3	Very low	31.8	Very low	68 Å²	68	141 Å²	141	70%	0.701	80%	0.798	S	S	*	*			trans	103.7	98.8	160.8	0	0	0	0	0	117.1
152	L	33.1	Very low	31.6	Very low	182 Å²	182	141.8 Å²	141.8	95%	0.953	80%	0.801	S	S	*	*			trans	-146.4	104.8	131.7	-111.5	167.8	0	0	0	108
153	L	30.3	Very low	32	Very low	177 Å²	177	143.1 Å²	143.1	93%	0.927	80%	0.804	S	S	*	*			trans	-88.4	141.3	175.9	-76.1	160.9	0	0	0	109.4
154	G	32.3	Very low	32	Very low	70 Å²	70	140.7 Å²	140.7	72%	0.722	79%	0.792	S	S	*	*			trans	-175.8	85.8	178.5	0	0	0	0	0	116.1
155	N	36.1	Very low	32.4	Very low	149 Å²	149	140.8 Å²	140.8	80%	0.797	79%	0.794	S	S	*	*			trans	43.3	109	147.6	-60.4	-9.9	0	0	0	121.8
156	L	33	Very low	32.7	Very low	152 Å²	152	140.5 Å²	140.5	80%	0.796	80%	0.798	S	S	*	*				61.4	167	120.9	-66.2	168.5	0	0	0	120.1
157	P	36.7	Very low	32.9	Very low	107 Å²	107	145.4 Å²	145.4	70%	0.695	81%	0.807	S	S	*	*			cis	-123	-178.4	-1.9	41.5	-27.1	0	0	0	115.6
158	N	32	Very low	33.2	Very low	144 Å²	144	148.9 Å²	148.9	77%	0.77	81%	0.811	S	S	*	*			trans	-50.8	148.8	178.4	-51	-38.4	0	0	0	115.6
159	W	32.6	Very low	33.7	Very low	231 Å²	231	145.5 Å²	145.5	88%	0.875	81%	0.805	S	S	*	*			trans	-125.4	122.2	160.9	-95.6	70.2	0	0	0	110.5
160	P	31.7	Very low	33.6	Very low	109 Å²	109	144.3 Å²	144.3	71%	0.708	80%	0.8	S	S	*	*			trans	-110.4	111.3	176.6	35.3	-24.9	0	0	0	112.3
161	F	34.2	Very low	33.9	Very low	181 Å²	181	142.1 Å²	142.1	79%	0.794	80%	0.798	S	S	*	*			trans	-148.9	94.1	157.8	-89.6	-65.4	0	0	0	111.2
162	T	30.7	Very low	34	Very low	138 Å²	138	143.4 Å²	143.4	85%	0.847	80%	0.796	S	S	*	*			trans	-93.7	113.1	161.7	-57	0	0	0	0	107.6	P164	T162-P164 WeakPolarHBondContact O-CD 3.26Å
163	V	36.6	Very low	34	Very low	127 Å²	127	144.8 Å²	144.8	77%	0.77	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-82.6	119.5	174	-172.9	0	0	0	0	108.3
164	P	33.9	Very low	34.3	Very low	97 Å²	97	142.6 Å²	142.6	63%	0.63	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-77.3	150.7	174.8	32.5	-34	0	0	0	110.8	T162	T162-P164 WeakPolarHBondContact O-CD 3.26Å
165	P	37.4	Very low	34.4	Very low	117 Å²	117	146.5 Å²	146.5	76%	0.76	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-65.1	138.9	171.7	28.7	-34.3	0	0	0	110.6	H167	P165-H167 PolarHBondContact O-N 3.5Å
166	T	35	Very low	34.2	Very low	139 Å²	139	150.3 Å²	150.3	85%	0.853	79%	0.79	S	S	*	*			trans	-73.3	108.2	-179.2	34.9	0	0	0	0	111.5	Y168	T166-Y168 PolarHBondContact O-N 2.95Å
167	H	32.4	Very low	34.6	Very low	185 Å²	185	147.9 Å²	147.9	86%	0.856	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-70.5	123.8	167.5	-93	-63.1	0	0	0	110.8	P165	P165-H167 PolarHBondContact O-N 3.5Å
168	Y	36.1	Very low	34.6	Very low	215 Å²	215	149.9 Å²	149.9	84%	0.843	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-63.3	134.4	155.5	-84.6	-95.5	0	0	0	109.3	T166	T166-Y168 PolarHBondContact O-N 2.95Å
169	P	39.8	Very low	34.6	Very low	118 Å²	118	146.9 Å²	146.9	77%	0.766	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-75.1	136.3	175.1	30.5	-33.3	0	0	0	110.8	S171	P169-S171 PolarHBondContact O-N 3.01Å
170	N	32.3	Very low	34.7	Very low	156 Å²	156	140.7 Å²	140.7	83%	0.834	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-64.8	132.5	168.2	-74.7	-35	0	0	0	110.1	S172	N170-S172 PolarHBondContact O-N 3.09Å
171	S	34.4	Very low	34.7	Very low	123 Å²	123	142.2 Å²	142.2	86%	0.86	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-70.7	118.8	149.8	44.9	0	0	0	0	108.2	P169	P169-S171 PolarHBondContact O-N 3.01Å
172	S	34	Very low	34.8	Very low	95 Å²	95	140.1 Å²	140.1	66%	0.664	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-87.3	137.3	175.9	43.6	0	0	0	0	110.7	N170	N170-S172 PolarHBondContact O-N 3.09Å
173	F	32.8	Very low	35	Very low	211 Å²	211	138.7 Å²	138.7	93%	0.925	80%	0.797	S	S	*	*			trans	-127.3	149.5	144.9	-128.2	-90.9	0	0	0	109.6
174	I	37.3	Very low	34.9	Very low	130 Å²	130	142.2 Å²	142.2	67%	0.667	80%	0.798	S	S	*	*			trans	-111.5	122.3	-158.7	-65.6	162.8	0	0	0	108
175	D	33.9	Very low	34.9	Very low	152 Å²	152	144.7 Å²	144.7	81%	0.813	80%	0.801	S	S	*	*				-172.2	163	109.6	-116	-43.7	0	0	0	115.6
176	R	31.1	Very low	34.7	Very low	229 Å²	229	142.2 Å²	142.2	86%	0.864	80%	0.797	S	S	*	*			trans	-164.6	161.1	-179.8	-123.7	-163.3	173.1	-175.2	-1.2	108.2
177	P	41.5	Very low	34.6	Very low	102 Å²	102	147.8 Å²	147.8	66%	0.662	80%	0.802	S	S	*	*			cis	-125.1	178.2	-32.5	39.7	-27	0	0	0	111.2
178	T	37.6	Very low	34.9	Very low	149 Å²	149	143.2 Å²	143.2	91%	0.914	80%	0.796	S	S	*	*				-179.9	161.5	128.3	23.5	0	0	0	0	109.8
179	G	31.8	Very low	35	Very low	80 Å²	80	138.5 Å²	138.5	83%	0.825	80%	0.795	S	S	*	*			trans	-115.1	145.4	-178.7	0	0	0	0	0	112.9
180	A	33.9	Very low	34.8	Very low	101 Å²	101	137 Å²	137	84%	0.835	79%	0.787	S	S	*	*			trans	-147.6	148.3	163.8	0	0	0	0	0	109
181	V	32.6	Very low	35.1	Very low	141 Å²	141	137 Å²	137	86%	0.855	79%	0.788	S	S	*	*			trans	-114.1	110.3	179.5	175	0	0	0	0	109.2
182	V	35.2	Very low	35.2	Very low	138 Å²	138	134.9 Å²	134.9	84%	0.836	78%	0.784	S	S	*	*			trans	-151.3	130.4	159.1	-164.1	0	0	0	0	109.3
183	P	35.3	Very low	35.4	Very low	108 Å²	108	140.1 Å²	140.1	70%	0.701	80%	0.799	S	S	*	*			trans	-108.5	141.4	168.4	36.3	-27.9	0	0	0	112.4
184	Y	34.1	Very low	35.2	Very low	200 Å²	200	138.1 Å²	138.1	78%	0.784	79%	0.792	S	S	*	*			trans	-158.4	176.1	156.5	-144.6	-113.8	0	0	0	113.4
185	E	35	Very low	35.1	Very low	150 Å²	150	140 Å²	140	70%	0.701	80%	0.802	S	S	*	*			trans	-45.8	158.7	-177.5	-65.4	165.1	-171.3	0	0	115.9
186	G	31.9	Very low	35.2	Very low	65 Å²	65	137.5 Å²	137.5	67%	0.67	79%	0.793	S	S	*	*			cis	135.2	125.2	2.7	0	0	0	0	0	111.9
187	W	34.7	Very low	35.2	Very low	255 Å²	255	133.8 Å²	133.8	97%	0.966	79%	0.79	S	S	*	*			trans	-135	125	178.1	-88.3	62.5	0	0	0	111.3
188	A	38.3	Very low	34.9	Very low	89 Å²	89	135 Å²	135	74%	0.736	80%	0.8	S	S	*	*			trans	-85.8	178.2	161.2	0	0	0	0	0	109.2
189	S	36.9	Very low	34.9	Very low	116 Å²	116	133 Å²	133	81%	0.811	79%	0.79	S	S	*	*			cis	-151.8	179.4	1.3	-150.3	0	0	0	0	105.5
190	S	37.1	Very low	35	Very low	87 Å²	87	136 Å²	136	61%	0.608	80%	0.797	S	S	*	*			cis	-149.9	163.6	9.1	52.8	0	0	0	0	107.5
191	N	38.8	Very low	35.1	Very low	157 Å²	157	135 Å²	135	84%	0.84	80%	0.796	S	S	*	*				-160.6	134.3	74.3	-68.3	-36.3	0	0	0	108.8
192	G	34.9	Very low	35.2	Very low	77 Å²	77	136.3 Å²	136.3	79%	0.794	79%	0.793	S	S	*	*			trans	-107.1	146.7	-171.5	0	0	0	0	0	115.1
193	Q	39.3	Very low	35.2	Very low	206 Å²	206	135.4 Å²	135.4	96%	0.963	78%	0.783	S	S	*	*			trans	-137.7	142.7	142.9	-89.7	-173.2	-11.4	0	0	108.4
194	Q	27.4	Very low	35.4	Very low	168 Å²	168	138.1 Å²	138.1	79%	0.785	79%	0.792	S	S	*	*			trans	-137.8	124.5	-161.8	174.4	-172.3	-6.4	0	0	111.6
195	L	35.7	Very low	35.4	Very low	169 Å²	169	134 Å²	134	89%	0.885	79%	0.787	S	S	*	*			trans	-144.1	86.5	161.9	-69.9	177.8	0	0	0	108.2
196	T	35.9	Very low	35.5	Very low	100 Å²	100	133.4 Å²	133.4	61%	0.613	79%	0.788	S	S	*	*				75.1	78.4	96.7	58.1	0	0	0	0	116.7
197	L	31.9	Very low	35.7	Very low	152 Å²	152	136.8 Å²	136.8	80%	0.796	79%	0.791	S	S	*	*				46.8	133.4	129	-64.9	170.5	0	0	0	122.4
198	S	34.4	Very low	35.9	Very low	126 Å²	126	132 Å²	132	88%	0.881	78%	0.779	S	S	*	*				-168.8	113.6	129.8	-80.7	0	0	0	0	112.4
199	P	38.9	Very low	35.7	Very low	109 Å²	109	137.1 Å²	137.1	71%	0.708	79%	0.785	S	S	*	*			trans	-127.5	137.3	171.8	37.2	-23.4	0	0	0	115.1
200	C	32.1	Very low	35.6	Very low	142 Å²	142	134.8 Å²	134.8	96%	0.959	78%	0.779	S	S	*	*			trans	-158.3	149.7	163.4	-84.4	0	0	0	0	107.1
201	G	37.7	Very low	35.6	Very low	80 Å²	80	140.3 Å²	140.3	83%	0.825	80%	0.795	S	S	*	*			cis	-153.4	-165.6	-2.7	0	0	0	0	0	110.2
202	E	34.6	Very low	35.2	Very low	169 Å²	169	136.3 Å²	136.3	79%	0.79	79%	0.791	S	S	*	*			trans	-134.3	166.2	-156.5	-159.7	-172.9	-137.9	0	0	113.8
203	N	35.2	Very low	35.5	Very low	119 Å²	119	139.4 Å²	139.4	64%	0.636	80%	0.797	S	S	*	*			trans	76.7	126.9	163.9	-56.7	-61.8	0	0	0	119.8
204	D	38.3	Very low	35.3	Very low	164 Å²	164	134.8 Å²	134.8	88%	0.877	79%	0.788	S	S	*	*				-160.1	160.2	115.6	-115.4	-22.4	0	0	0	110.8
205	T	34.4	Very low	35.8	Very low	113 Å²	113	136.3 Å²	136.3	69%	0.693	80%	0.795	S	S	*	*			trans	-147	160.1	-161.2	8.3	0	0	0	0	116.8
206	I	36.2	Very low	35.8	Very low	138 Å²	138	132.2 Å²	132.2	71%	0.708	79%	0.786	S	S	*	*			trans	80.8	151.1	147.8	-77.9	159.6	0	0	0	119.8
207	N	37	Very low	35.8	Very low	136 Å²	136	135.3 Å²	135.3	73%	0.727	80%	0.798	S	S	*	*			trans	73.1	156.7	168.6	-71	-25	0	0	0	120.1
208	H	39.1	Very low	36	Very low	155 Å²	155	137.7 Å²	137.7	72%	0.718	81%	0.808	S	S	*	*			cis	-166.2	163.1	-46.3	-122	-21.6	0	0	0	111
209	F	33	Very low	36	Very low	197 Å²	197	137 Å²	137	86%	0.864	80%	0.803	S	S	*	*			trans	0.9	141.4	171	-77.1	-82	0	0	0	124.8
210	G	35.7	Very low	35.7	Very low	67 Å²	67	136.4 Å²	136.4	69%	0.691	80%	0.802	S	S	*	*			trans	162	94.6	157.1	0	0	0	0	0	111.9
211	Q	37	Very low	35.9	Very low	202 Å²	202	139.4 Å²	139.4	94%	0.944	80%	0.798	S	S	*	*				61.8	136.8	94.8	-67.3	-163	3	0	0	116.8
212	G	31.4	Very low	35.7	Very low	73 Å²	73	143.2 Å²	143.2	75%	0.753	80%	0.8	S	S	*	*			trans	-86.4	-157.5	-174.4	0	0	0	0	0	115
213	P	41.4	Very low	36.2	Very low	142 Å²	142	140 Å²	140	92%	0.922	79%	0.793	S	S	*	*				-142.6	-154.5	59.5	42.3	-24	0	0	0	114.7
214	S	34.5	Very low	36.4	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	80%	0.802	S	S	*	*			trans	-135.9	132.3	-169.4	58.6	0	0	0	0	114.5
215	E	37.3	Very low	36.2	Very low	199 Å²	199	140 Å²	140	93%	0.93	79%	0.791	S	S	*	*			trans	-151.6	171.3	163.3	-67.9	-166.8	145.2	0	0	109
216	A	36.9	Very low	36.2	Very low	84 Å²	84	145.7 Å²	145.7	69%	0.694	80%	0.802	S	S	*	*				-171.7	142.9	-52.3	0	0	0	0	0	107.7
217	N	35.2	Very low	35.9	Very low	165 Å²	165	148.8 Å²	148.8	88%	0.882	81%	0.806	S	S	*	*			trans	42.8	117.6	165	-73.3	-32	0	0	0	120.8
218	M	35.3	Very low	35.6	Very low	202 Å²	202	147.6 Å²	147.6	100%	0.995	80%	0.804	S	S	*	*				-147.9	127.7	129.5	-131.3	-179	177.1	0	0	115
219	S	34.5	Very low	35.1	Very low	110 Å²	110	145 Å²	145	77%	0.769	80%	0.803	S	S	*	*			trans	-60.4	139.1	-168.3	-168.2	0	0	0	0	118.6
220	S	33	Very low	35.2	Very low	98 Å²	98	140.7 Å²	140.7	69%	0.685	80%	0.797	S	S	*	*			trans	45.2	125.7	131.8	-167.6	0	0	0	0	122.2
221	K	35.7	Very low	34.9	Very low	205 Å²	205	144.9 Å²	144.9	89%	0.891	80%	0.804	S	S	*	*				-162.7	141.7	117.4	-108.1	164.6	-176	175.9	0	112.6
222	D	34.1	Very low	34.9	Very low	160 Å²	160	144.6 Å²	144.6	86%	0.856	81%	0.805	S	S	*	*			trans	-117.1	175.7	-173	-113.8	-13.2	0	0	0	112
223	P	45.4	Very low	35.1	Very low	100 Å²	100	144.5 Å²	144.5	65%	0.649	80%	0.804	S	S	*	*			trans	-106.6	168.8	-147.7	40.7	-40.3	0	0	0	117.4
224	H	38.1	Very low	34.6	Very low	178 Å²	178	145.5 Å²	145.5	82%	0.824	80%	0.801	S	S	*	*			trans	-136	125.2	153.1	-83	-64.9	0	0	0	109.3
225	T	35.2	Very low	34.6	Very low	106 Å²	106	146.8 Å²	146.8	65%	0.65	81%	0.805	S	S	*	*				65.9	114.5	82.2	-41.1	0	0	0	0	113.8
226	Y	33.5	Very low	34.3	Very low	233 Å²	233	143.5 Å²	143.5	91%	0.914	80%	0.798	S	S	*	*			trans	-161.9	168.2	134.8	-105	-65.6	0	0	0	111
227	Y	31.5	Very low	34.1	Very low	203 Å²	203	149.4 Å²	149.4	80%	0.796	81%	0.808	S	S	*	*			trans	-137.4	161.1	-157.2	-135.1	-120.8	0	0	0	111.6
228	T	30.3	Very low	33.9	Very low	111 Å²	111	145.3 Å²	145.3	68%	0.681	80%	0.798	S	S	*	*			trans	61.3	107.3	155.2	39.2	0	0	0	0	122.1
229	S	28.9	Very low	33.8	Very low	101 Å²	101	140.3 Å²	140.3	71%	0.706	79%	0.788	S	S	*	*				98.5	154.5	108.3	81.9	0	0	0	0	122
230	S	33.8	Very low	34	Very low	105 Å²	105	140.9 Å²	140.9	73%	0.734	79%	0.789	S	S	*	*			trans	86	113.5	148.1	-52.9	0	0	0	0	119.6
231	N	29.9	Very low	33.9	Very low	155 Å²	155	140.9 Å²	140.9	83%	0.829	80%	0.795	S	S	*	*			trans	5.2	135.1	151.6	-55.5	-7.5	0	0	0	119.6
232	M	36.4	Very low	33.8	Very low	196 Å²	196	137.4 Å²	137.4	97%	0.966	80%	0.795	S	S	*	*				-170.9	149.7	113.6	-104.3	177.4	-158.7	0	0	113
233	G	35.4	Very low	33.6	Very low	71 Å²	71	139.4 Å²	139.4	73%	0.732	79%	0.792	S	S	*	*			trans	82.3	108.5	144.4	0	0	0	0	0	118.9
234	D	31.6	Very low	33.2	Very low	163 Å²	163	140.4 Å²	140.4	87%	0.872	80%	0.802	S	S	*	*			trans	-62.6	143.9	154.6	-60.9	-83.2	0	0	0	111.1
235	T	33.8	Very low	32.8	Very low	137 Å²	137	139.4 Å²	139.4	84%	0.84	80%	0.797	S	S	*	*			trans	-142.2	115.6	154.7	8.3	0	0	0	0	110.3
236	V	32.6	Very low	32.9	Very low	130 Å²	130	142.7 Å²	142.7	79%	0.788	81%	0.805	S	S	*	*			trans	-77	130.4	172.9	176	0	0	0	0	109
237	F	32.9	Very low	33	Very low	208 Å²	208	139.7 Å²	139.7	91%	0.912	80%	0.8	S	S	*	*			trans	-136.8	138.7	156.7	-111.7	-84.6	0	0	0	109.9
238	A	30.5	Very low	33	Very low	80 Å²	80	138.9 Å²	138.9	66%	0.661	80%	0.803	S	S	*	*			trans	-139.9	159.3	-173.4	0	0	0	0	0	111.2
239	A	33.2	Very low	33.1	Very low	97 Å²	97	143.3 Å²	143.3	80%	0.802	82%	0.816	S	S	*	*			trans	66.4	169.2	170.9	0	0	0	0	0	116
240	P	37.9	Very low	33.1	Very low	121 Å²	121	141.3 Å²	141.3	79%	0.786	81%	0.811	S	S	*	*			cis	-119.1	175	-9.4	21.4	1.3	0	0	0	114
241	A	30.5	Very low	33.1	Very low	98 Å²	98	143.3 Å²	143.3	81%	0.81	82%	0.819	S	S	*	*			trans	-76.6	158.7	165.8	0	0	0	0	0	111.6
242	C	33.5	Very low	33.2	Very low	132 Å²	132	141.2 Å²	141.2	89%	0.892	81%	0.812	S	S	*	*			trans	-120.2	146.3	169.9	-85.3	0	0	0	0	112.4
243	Y	30.6	Very low	33.1	Very low	202 Å²	202	140 Å²	140	79%	0.792	80%	0.804	S	S	*	*			trans	-88.9	152.3	-175.2	-123.3	-114.9	0	0	0	111.8	Q245	Y243-Q245 HydrophobicContact CD1-CG 4.06Å; Y243-Q245 HydrophobicContact CE1-CG 3.94Å
244	S	36.2	Very low	33.1	Very low	122 Å²	122	144 Å²	144	85%	0.853	81%	0.809	S	S	*	*			trans	-154.5	138	142.3	47	0	0	0	0	110.3
245	Q	31.3	Very low	33.4	Very low	156 Å²	156	142.2 Å²	142.2	73%	0.729	81%	0.806	S	S	*	*			trans	-115.8	152.2	176.6	-68.4	176.7	-21.9	0	0	109.2	Y243	Y243-Q245 HydrophobicContact CD1-CG 4.06Å; Y243-Q245 HydrophobicContact CE1-CG 3.94Å
246	Q	36.9	Very low	33.4	Very low	175 Å²	175	139.1 Å²	139.1	82%	0.818	80%	0.802	S	S	*	*			trans	-160.3	129.9	142.6	-113.1	161.3	19.8	0	0	112.5
247	Q	36	Very low	33.5	Very low	171 Å²	171	139.2 Å²	139.2	80%	0.799	80%	0.802	S	S	*	*			trans	40	115.4	149.4	-62.9	160.7	5.8	0	0	118.6
248	Q	30	Very low	33.4	Very low	185 Å²	185	134.2 Å²	134.2	86%	0.864	79%	0.793	S	S	*	*				68.4	93.5	54.7	-67.5	-163.2	-8.3	0	0	116.9
249	Q	32.3	Very low	33.6	Very low	205 Å²	205	138.9 Å²	138.9	96%	0.958	80%	0.798	S	S	*	*			trans	172.6	150.8	138.7	-95.1	164.9	38.2	0	0	107.7
250	G	30.2	Very low	33.7	Very low	58 Å²	58	140.9 Å²	140.9	60%	0.598	79%	0.794	S	S	*	*			cis	153.6	121.8	-8.2	0	0	0	0	0	111.9
251	T	34	Very low	33.2	Very low	147 Å²	147	144.9 Å²	144.9	90%	0.902	80%	0.795	S	S	*	*			trans	65.1	175.1	173.8	64.2	0	0	0	0	117.9
252	T	31.5	Very low	33.4	Very low	111 Å²	111	149 Å²	149	68%	0.681	80%	0.797	S	S	*	*				-154.1	173.2	-75.1	-33.6	0	0	0	0	108.4
253	E	34	Very low	33.2	Very low	171 Å²	171	150.3 Å²	150.3	80%	0.799	79%	0.79	S	S	*	*			trans	85.3	118.6	151.9	-75.4	161.8	-143.7	0	0	121.9
254	D	35.3	Very low	33.8	Very low	155 Å²	155	146.8 Å²	146.8	83%	0.829	79%	0.792	S	S	*	*			trans	63.4	136.5	146.2	-77.6	2	0	0	0	126.2
255	P	37.6	Very low	33.5	Very low	126 Å²	126	148.4 Å²	148.4	82%	0.818	79%	0.791	S	S	*	*			trans	-100.6	153.1	169.8	39.3	-32.6	0	0	0	113.2
256	G	34.4	Very low	33.7	Very low	72 Å²	72	146.4 Å²	146.4	74%	0.742	79%	0.794	S	S	*	*			trans	177.3	128.9	164.2	0	0	0	0	0	115.4
257	V	35.3	Very low	33.5	Very low	132 Å²	132	147.3 Å²	147.3	80%	0.8	80%	0.796	S	S	*	*				167.4	132.8	129.3	154.1	0	0	0	0	108.6	F259	V257-F259 HydrophobicContact CG1-CD2 3.91Å; V257-F259 HydrophobicContact CG1-CE2 3.72Å
258	S	30.2	Very low	33.7	Very low	103 Å²	103	145.3 Å²	145.3	72%	0.72	80%	0.797	S	S	*	*			trans	-104.8	144.2	178.7	49.1	0	0	0	0	111.9
259	F	34.3	Very low	33.8	Very low	177 Å²	177	140.3 Å²	140.3	78%	0.776	79%	0.787	S	S	*	*			trans	-136.1	101	159.7	-83.4	-86.1	0	0	0	107	V257	V257-F259 HydrophobicContact CG1-CD2 3.91Å; V257-F259 HydrophobicContact CG1-CE2 3.72Å
260	I	36.1	Very low	34	Very low	139 Å²	139	141.6 Å²	141.6	71%	0.713	79%	0.785	S	S	*	*				78.4	115	93.7	-74.7	166.8	0	0	0	112.2
261	Y	27.8	Very low	34.5	Very low	205 Å²	205	143.6 Å²	143.6	80%	0.804	79%	0.788	S	S	*	*			trans	-69.8	147.4	171.6	-90.2	-106.2	0	0	0	111.9
262	H	34.2	Very low	34.4	Very low	184 Å²	184	146.3 Å²	146.3	85%	0.852	79%	0.787	S	S	*	*			trans	-158.1	122.4	133.5	-96.8	-58.5	0	0	0	111.5
263	H	30	Very low	34.5	Very low	160 Å²	160	145.4 Å²	145.4	74%	0.741	79%	0.786	S	S	*	*			trans	-77.4	156	155.3	-89.9	-73.9	0	0	0	109.4
264	P	42.2	Very low	34.5	Very low	128 Å²	128	142 Å²	142	83%	0.831	78%	0.78	S	S	*	*				-135.6	171.3	107	37.7	-28.1	0	0	0	113.9
265	N	28.9	Very low	34.3	Very low	157 Å²	157	144.4 Å²	144.4	84%	0.84	79%	0.787	S	S	*	*			trans	-116.3	133.6	-174.6	-155.1	-10.7	0	0	0	109.1
266	S	35.9	Very low	34.1	Very low	114 Å²	114	141.3 Å²	141.3	80%	0.797	78%	0.778	S	S	*	*			trans	-157.5	138.6	167.7	57.3	0	0	0	0	112.6
267	K	34.1	Very low	34	Very low	194 Å²	194	145.2 Å²	145.2	84%	0.843	79%	0.787	S	S	*	*			trans	-87.8	171	171.1	-58.7	-178	178.4	-179	0	109.8
268	P	39.6	Very low	33.7	Very low	129 Å²	129	147.8 Å²	147.8	84%	0.838	79%	0.791	S	S	*	*				-136.6	175	91.4	36.3	-23.7	0	0	0	114.1
269	A	32.1	Very low	33.8	Very low	79 Å²	79	148 Å²	148	65%	0.653	79%	0.792	S	S	*	*			trans	-124.7	166.6	169.9	0	0	0	0	0	109
270	Y	36.7	Very low	33.8	Very low	232 Å²	232	147.2 Å²	147.2	91%	0.91	79%	0.791	S	S	*	*			trans	-172.7	161.6	147.6	-87.1	-45.6	0	0	0	110.9
271	P	39.6	Very low	33.5	Very low	100 Å²	100	147.3 Å²	147.3	65%	0.649	79%	0.792	S	S	*	*			trans	-145.1	-161.5	-137.7	44.2	-22.6	0	0	0	116.8
272	F	32.6	Very low	33.8	Very low	205 Å²	205	144.1 Å²	144.1	90%	0.899	79%	0.794	S	S	*	*			trans	74.3	155.8	164.4	-92.9	-116.8	0	0	0	116.6
273	S	34.1	Very low	33.5	Very low	92 Å²	92	142.8 Å²	142.8	64%	0.643	79%	0.793	S	S	*	*			cis	-158.2	155.3	9.1	54	0	0	0	0	115.2
274	S	33.1	Very low	33.7	Very low	98 Å²	98	138.7 Å²	138.7	69%	0.685	79%	0.793	S	S	*	*			trans	37.8	118.3	144.1	60.1	0	0	0	0	121.6
275	Q	30.6	Very low	33.3	Very low	206 Å²	206	141 Å²	141	96%	0.963	80%	0.798	S	S	*	*				84	137.6	72.5	-84.7	-163.6	-5.9	0	0	117.7
276	G	33.5	Very low	33.5	Very low	62 Å²	62	139.4 Å²	139.4	64%	0.639	80%	0.796	S	S	*	*			trans	148.9	96.2	168.8	0	0	0	0	0	111.8
277	T	33.1	Very low	33.4	Very low	153 Å²	153	137.5 Å²	137.5	94%	0.939	80%	0.795	S	S	*	*				97.4	153.4	74.2	47.8	0	0	0	0	114.5
278	Q	28.3	Very low	33.3	Very low	186 Å²	186	134.6 Å²	134.6	87%	0.869	80%	0.799	S	S	*	*			trans	-91.3	163.3	-157.9	-56.5	163.4	-30.4	0	0	115.1
279	S	32.8	Very low	32.7	Very low	107 Å²	107	132.9 Å²	132.9	75%	0.748	80%	0.795	S	S	*	*				-177.6	127.4	125.5	34.3	0	0	0	0	117.4
280	H	35	Very low	32.7	Very low	161 Å²	161	133.9 Å²	133.9	75%	0.745	80%	0.804	S	S	*	*			trans	52.7	119.4	136.4	-66.8	-67.1	0	0	0	126.4
281	L	29.4	Very low	32.3	Very low	141 Å²	141	130.5 Å²	130.5	74%	0.738	80%	0.802	S	S	*	*				69.6	130.6	123.7	-62.1	169.4	0	0	0	122.7
282	V	33.9	Very low	31.8	Very low	139 Å²	139	134.6 Å²	134.6	84%	0.842	81%	0.814	S	S	*	*				-175.8	152.3	101	151.6	0	0	0	0	110.9
283	N	28.9	Very low	31.9	Very low	156 Å²	156	132.7 Å²	132.7	83%	0.834	81%	0.812	S	S	*	*			trans	-93.8	162.8	-173.2	-61.7	-28.1	0	0	0	114.5
284	G	32.9	Very low	31.5	Very low	73 Å²	73	135.2 Å²	135.2	75%	0.753	82%	0.819	S	S	*	*			trans	-159.2	28.9	-172.9	0	0	0	0	0	123.1
285	L	34.3	Very low	31.4	Very low	176 Å²	176	135.6 Å²	135.6	92%	0.921	82%	0.819	S	S	*	*			trans	63.3	148	161.6	-72.1	161.4	0	0	0	121.3
286	P	33.6	Very low	31.4	Very low	124 Å²	124	135.4 Å²	135.4	81%	0.805	81%	0.811	S	S	*	*			trans	-107.6	172.8	-179.9	41.6	-35.5	0	0	0	114.9
287	G	33	Very low	31.2	Very low	75 Å²	75	136.7 Å²	136.7	77%	0.773	82%	0.816	S	S	*	*			trans	-161.1	108.6	175.9	0	0	0	0	0	118.3
288	S	32.6	Very low	31	Very low	132 Å²	132	134.9 Å²	134.9	92%	0.923	81%	0.809	S	S	*	*			trans	61.9	138.1	155.2	-149.5	0	0	0	0	121.5
289	A	26.4	Very low	31.2	Very low	93 Å²	93	131.7 Å²	131.7	77%	0.769	80%	0.802	S	S	*	*			trans	-108.4	165.4	170.3	0	0	0	0	0	111.5
290	A	32	Very low	30.9	Very low	101 Å²	101	132.8 Å²	132.8	84%	0.835	80%	0.8	S	S	*	*			trans	-144.3	135.5	167.6	0	0	0	0	0	110.4
291	N	27.9	Very low	30.8	Very low	161 Å²	161	133.3 Å²	133.3	86%	0.861	80%	0.802	S	S	*	*			trans	-87.8	147.2	-175.7	-52.4	-58.5	0	0	0	112.2
292	M	30.4	Very low	30.6	Very low	186 Å²	186	132.5 Å²	132.5	92%	0.916	81%	0.807	S	S	*	*			trans	-141.3	155.8	147.3	-91.6	-162.1	70.6	0	0	110.6
293	L	33.5	Very low	30.6	Very low	164 Å²	164	133.5 Å²	133.5	86%	0.859	80%	0.803	S	S	*	*			trans	-93.8	151.9	-163.9	-62	95.3	0	0	0	113.8
294	D	27.1	Very low	30.7	Very low	145 Å²	145	133 Å²	133	78%	0.775	81%	0.806	S	S	*	*			trans	-97.3	125	173.5	179.2	14.7	0	0	0	111.1
295	P	30.1	Very low	30.7	Very low	107 Å²	107	133.8 Å²	133.8	70%	0.695	79%	0.791	S	S	*	*			trans	-125.7	67.1	-179.5	41	-26.7	0	0	0	114.2
296	Y	31	Very low	30.7	Very low	202 Å²	202	129.6 Å²	129.6	79%	0.792	78%	0.777	S	S	*	*			trans	-125.1	92.6	169.4	-87.1	-72.4	0	0	0	114.5
297	A	28.5	Very low	30.8	Very low	89 Å²	89	130.4 Å²	130.4	74%	0.736	77%	0.77	S	S	*	*			trans	-141.5	138	166.9	0	0	0	0	0	110.8
298	S	28.6	Very low	31.1	Very low	115 Å²	115	132.8 Å²	132.8	80%	0.804	76%	0.76	S	S	*	*			trans	65.1	154.8	-167.8	80.9	0	0	0	0	113.9
299	V	33.3	Very low	31.3	Very low	118 Å²	118	129.4 Å²	129.4	72%	0.715	73%	0.732	S	S	*	*			cis	-132.2	143.1	17.7	175	0	0	0	0	111.3
300	N	27	Very low	32.1	Very low	131 Å²	131	129.6 Å²	129.6	70%	0.701	72%	0.719	S	S	*	*			trans	-81.7	130.4	167.5	-72.1	-29.2	0	0	0	111.3
301	Q	31.7	Very low	32.4	Very low	172 Å²	172	130.4 Å²	130.4	80%	0.804	71%	0.709	S	S	*	*			trans	-159.5	144.8	153.4	-114.7	163	36.3	0	0	112.1
302	C	26.3	Very low	33.3	Very low	124 Å²	124	125.9 Å²	125.9	84%	0.838	68%	0.683	S	S	*	*			trans	-86.7	145.9	-163.5	-52	0	0	0	0	114.1
303	Q	34.4	Very low	33.7	Very low	160 Å²	160	121 Å²	121	75%	0.748	66%	0.656	S	S	*	*			trans	-133.3	136.4	148	-70.4	-163.4	-2.6	0	0	110.1	I305	Q303-I305 PolarHBondContact O-N 3.27Å; Q303-I305 VanDerWaalsContact O-N 3.16Å
304	T	29.3	Very low	33.9	Very low	146 Å²	146	116 Å²	116	90%	0.896	65%	0.645	S	S	*	*			trans	-81.6	96.1	-169.5	-46.4	0	0	0	0	111.7
305	I	33.6	Very low	34.6	Very low	88 Å²	88	119.5 Å²	119.5	45%	0.451	65%	0.647	S	S	.	*			trans	-77	138.8	164.7	-60.7	176.3	0	0	0	108.4	Q303 Q307 L309	Q303-I305 PolarHBondContact O-N 3.27Å; Q303-I305 VanDerWaalsContact O-N 3.16Å; I305-Q307 PolarHBondContact O-N 3.37Å; I305-L309 HydrophobicContact CG2-CB 4.12Å; I305-L309 HydrophobicContact CG2-CD1 3.93Å
306	S	34.7	Very low	35	Very low	88 Å²	88	118.6 Å²	118.6	62%	0.615	64%	0.636	S	S	*	*			trans	-59.6	125.1	178.1	-57.7	0	0	0	0	111.3	H308 L309	S306-H308 PolarHBondContact O-N 3.48Å; S306-L309 PolarHBondContact O-N 3.33Å
307	Q	34.6	Very low	35.2	Very low	141 Å²	141	116.1 Å²	116.1	66%	0.659	64%	0.636	S	S	*	*	H	α-helix	trans	-50.7	-36.8	-172	-75.1	174.6	-46	0	0	114.4	I305 L309 I310 D311	I305-Q307 PolarHBondContact O-N 3.37Å; Q307-L309 PolarHBondContact O-N 3.09Å; Q307-I310 WeakPolarHBondContact O-CA 3.48Å; Q307-I310 WeakPolarHBondContact O-CB 3.29Å; Q307-I310 PolarHBondContact O-N 3.46Å; Q307-D311 PolarHBondContact O-N 3.29Å
308	H	39.5	Very low	35.6	Very low	125 Å²	125	116.4 Å²	116.4	58%	0.579	63%	0.629	S	S	*	*	H	α-helix	trans	-52.1	-29.9	175.9	-173.1	-46.6	0	0	0	113.9	S306 E312	S306-H308 PolarHBondContact O-N 3.48Å; H308-E312 IonicContact CE1-OE2 3.19Å; H308-E312 IonicContact ND1-OE2 2.82Å
309	L	37	Very low	35.6	Very low	61 Å²	61	114.1 Å²	114.1	32%	0.319	62%	0.624	S	S	.	*	H	α-helix	trans	-75.5	-35.6	175.5	-70.4	170.2	0	0	0	112.2	I305 S306 Q307 E312 F313 Y586	I305-L309 HydrophobicContact CG2-CB 4.12Å; I305-L309 HydrophobicContact CG2-CD1 3.93Å; S306-L309 PolarHBondContact O-N 3.33Å; Q307-L309 PolarHBondContact O-N 3.09Å; L309-E312 PolarHBondContact O-N 3.25Å; L309-F313 HydrophobicContact CB-CD2 4.47Å; L309-F313 HydrophobicContact CB-CE2 4.28Å; L309-F313 WeakPolarHBondContact O-CD2 3.46Å; L309-F313 PolarHBondContact O-N 2.95Å; L309-Y586 HydrophobicContact CD2-CE1 4.19Å
310	I	43.6	Very low	35.3	Very low	97 Å²	97	115.2 Å²	115.2	50%	0.497	64%	0.635	S	S	.	*	H	α-helix	trans	-66.6	-40.6	-178.1	-57.4	173.7	0	0	0	110	Q307 E312 F313 G314	Q307-I310 WeakPolarHBondContact O-CA 3.48Å; Q307-I310 WeakPolarHBondContact O-CB 3.29Å; Q307-I310 PolarHBondContact O-N 3.46Å; I310-E312 PolarHBondContact O-N 3.32Å; I310-F313 PolarHBondContact O-N 3.02Å; I310-G314 PolarHBondContact O-N 3.38Å
311	D	39.4	Very low	35.3	Very low	118 Å²	118	111.9 Å²	111.9	63%	0.631	63%	0.632	S	S	*	*	H	α-helix	trans	-68.1	-30.3	178.2	-63.7	-29	0	0	0	113.3	Q307	Q307-D311 PolarHBondContact O-N 3.29Å
312	E	46.4	Very low	35.1	Very low	67 Å²	67	110.6 Å²	110.6	31%	0.313	64%	0.635	S	S	.	*	H	α-helix	trans	-78.3	-38	173	-66.9	-160.6	132.2	0	0	112	H308 L309 I310 G314 R315 K651	H308-E312 IonicContact CE1-OE2 3.19Å; H308-E312 IonicContact ND1-OE2 2.82Å; L309-E312 PolarHBondContact O-N 3.25Å; I310-E312 PolarHBondContact O-N 3.32Å; E312-G314 PolarHBondContact O-N 3.32Å; E312-R315 PolarHBondContact O-N 2.95Å; E312-R315 VanDerWaalsContact O-N 3.16Å; E312-K651 IonicContact OE1-NZ 2.86Å; E312-K651 PolarHBondContact OE1-NZ 3.07Å; E312-K651 IonicContact OE2-NZ 2.77Å; E312-K651 PolarHBondContact OE2-NZ 2.6Å
313	F	39	Very low	35.2	Very low	82 Å²	82	113.9 Å²	113.9	36%	0.36	64%	0.638	S	S	.	*	H	α-helix	trans	-62	-29.3	175.1	-77.5	-55.8	0	0	0	113.5	L309 I310 R315 L316	L309-F313 HydrophobicContact CB-CD2 4.47Å; L309-F313 HydrophobicContact CB-CE2 4.28Å; L309-F313 WeakPolarHBondContact O-CD2 3.46Å; L309-F313 PolarHBondContact O-N 2.95Å; I310-F313 PolarHBondContact O-N 3.02Å; F313-R315 PolarHBondContact O-N 2.95Å; F313-L316 HydrophobicContact CD1-CD1 4.34Å; F313-L316 PolarHBondContact O-N 2.92Å
314	G	36.6	Very low	34.8	Very low	59 Å²	59	110.2 Å²	110.2	61%	0.608	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-63.3	-21.4	176	0	0	0	0	0	114.8	I310 E312 L316	I310-G314 PolarHBondContact O-N 3.38Å; E312-G314 PolarHBondContact O-N 3.32Å; G314-L316 PolarHBondContact O-N 3.35Å
315	R	42.1	Very low	34.8	Very low	220 Å²	220	107.7 Å²	107.7	83%	0.83	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-82.5	-6	-176.5	-70.3	-172.3	169.1	-135.4	-5.1	115.1	E312 F313 N317	E312-R315 PolarHBondContact O-N 2.95Å; E312-R315 VanDerWaalsContact O-N 3.16Å; F313-R315 PolarHBondContact O-N 2.95Å; R315-N317 PolarHBondContact O-N 2.89Å
316	L	38.2	Very low	34.5	Very low	87 Å²	87	109.7 Å²	109.7	46%	0.455	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-79.5	0.8	-178.2	-70	171.2	0	0	0	114.5	F313 G314 V318	F313-L316 HydrophobicContact CD1-CD1 4.34Å; F313-L316 PolarHBondContact O-N 2.92Å; G314-L316 PolarHBondContact O-N 3.35Å; L316-V318 VanDerWaalsContact C-N 3.34Å; L316-V318 PolarHBondContact O-N 3.35Å
317	N	34.6	Very low	34.2	Very low	150 Å²	150	111.5 Å²	111.5	80%	0.802	66%	0.657	S	S	*	*			trans	-83.2	72.9	178.7	-163.5	53	0	0	0	111.8	R315 G319	R315-N317 PolarHBondContact O-N 2.89Å; N317-G319 PolarHBondContact O-N 3.16Å
318	V	37.2	Very low	33.8	Very low	95 Å²	95	110.2 Å²	110.2	58%	0.576	66%	0.664	S	S	*	*			trans	-70.6	111.4	177	-177.7	0	0	0	0	109.8	L316 C320	L316-V318 VanDerWaalsContact C-N 3.34Å; L316-V318 PolarHBondContact O-N 3.35Å; V318-C320 PolarHBondContact O-N 2.94Å
319	G	28.7	Very low	33.5	Very low	68 Å²	68	111.7 Å²	111.7	70%	0.701	68%	0.676	S	S	*	*			trans	-69.9	126.7	172.1	0	0	0	0	0	111.5	N317	N317-G319 PolarHBondContact O-N 3.16Å
320	C	26.8	Very low	33.3	Very low	140 Å²	140	113.8 Å²	113.8	95%	0.946	70%	0.696	S	S	*	*			trans	-79.4	134.3	161.5	-172.1	0	0	0	0	108.6	V318	V318-C320 PolarHBondContact O-N 2.94Å
321	G	27.9	Very low	32.8	Very low	62 Å²	62	113 Å²	113	64%	0.639	71%	0.711	S	S	*	*			trans	153.3	78.3	-179.1	0	0	0	0	0	113.9
322	V	28.4	Very low	32.4	Very low	145 Å²	145	115 Å²	115	88%	0.879	72%	0.721	S	S	*	*			trans	-126.2	65.7	163.9	-169.3	0	0	0	0	108.4	A324	V322-A324 PolarHBondContact O-N 3.15Å
323	E	28	Very low	31.8	Very low	192 Å²	192	119.4 Å²	119.4	90%	0.897	75%	0.747	S	S	*	*			trans	-76.1	99.9	171.2	-71.2	-167.7	134.8	0	0	109.7	A325	E323-A325 PolarHBondContact O-N 3.06Å
324	A	26.1	Very low	31.3	Very low	84 Å²	84	123.8 Å²	123.8	69%	0.694	77%	0.768	S	S	*	*			trans	-73.7	88.7	170.5	0	0	0	0	0	109.8	V322 T326	V322-A324 PolarHBondContact O-N 3.15Å; A324-T326 VanDerWaalsContact C-N 3.34Å; A324-T326 PolarHBondContact O-N 3.33Å
325	A	28.8	Very low	31.1	Very low	92 Å²	92	128.7 Å²	128.7	76%	0.76	78%	0.78	S	S	*	*			trans	-68.1	83.2	-179.9	0	0	0	0	0	112.5	E323 C327	E323-A325 PolarHBondContact O-N 3.06Å; A325-C327 PolarHBondContact O-N 3.43Å; A325-C327 VanDerWaalsContact O-N 3.08Å
326	T	26.8	Very low	30.5	Very low	130 Å²	130	126.2 Å²	126.2	80%	0.798	78%	0.777	S	S	*	*			trans	-78.5	83.9	174.7	54.7	0	0	0	0	111.4	A324 S328	A324-T326 VanDerWaalsContact C-N 3.34Å; A324-T326 PolarHBondContact O-N 3.33Å; T326-S328 PolarHBondContact O-N 2.9Å
327	C	28.2	Very low	30.1	Very low	127 Å²	127	127.2 Å²	127.2	86%	0.858	79%	0.787	S	S	*	*			trans	-75	105.4	169.7	-70.5	0	0	0	0	110.9	A325	A325-C327 PolarHBondContact O-N 3.43Å; A325-C327 VanDerWaalsContact O-N 3.08Å
328	S	27.6	Very low	30.1	Very low	114 Å²	114	125.6 Å²	125.6	80%	0.797	78%	0.784	S	S	*	*			trans	-88.5	125.3	167.2	56.3	0	0	0	0	111.2	T326	T326-S328 PolarHBondContact O-N 2.9Å
329	D	32.4	Very low	29.5	Very low	156 Å²	156	129.8 Å²	129.8	83%	0.834	80%	0.795	S	S	*	*			trans	-157.1	163	132.1	-140.9	-16.3	0	0	0	114.1
330	S	33.7	Very low	29.6	Very low	105 Å²	105	137.9 Å²	137.9	73%	0.734	81%	0.806	S	S	*	*			trans	-15.2	137.3	171.6	65.9	0	0	0	0	120.3
331	G	32.6	Very low	29.5	Very low	79 Å²	79	138.7 Å²	138.7	81%	0.814	80%	0.796	S	S	*	*			trans	175.2	79.5	163.6	0	0	0	0	0	115.7	N333	G331-N333 PolarHBondContact O-N 3.33Å
332	L	30.2	Very low	29.5	Very low	162 Å²	162	141.6 Å²	141.6	85%	0.848	80%	0.802	S	S	*	*			trans	-73.4	121.3	172.2	-87.3	162.8	0	0	0	111.8
333	N	33.7	Very low	29.6	Very low	158 Å²	158	140.5 Å²	140.5	85%	0.845	80%	0.801	S	S	*	*				-170	160.2	113.8	-100	-45.3	0	0	0	113.6	G331	G331-N333 PolarHBondContact O-N 3.33Å
334	Q	29.8	Very low	29.6	Very low	174 Å²	174	138.1 Å²	138.1	81%	0.813	80%	0.799	S	S	*	*			trans	-86.7	150.9	-177.1	-54.3	171.2	16.5	0	0	111.6
335	L	31.4	Very low	29.8	Very low	162 Å²	162	140.6 Å²	140.6	85%	0.848	81%	0.805	S	S	*	*				179.5	110.9	122.4	-95.7	164.3	0	0	0	113.5
336	H	29.3	Very low	29.9	Very low	168 Å²	168	139.5 Å²	139.5	78%	0.778	80%	0.802	S	S	*	*			trans	49.8	106.3	135.9	-131.9	-117	0	0	0	122.3
337	V	30.7	Very low	30.2	Very low	109 Å²	109	141.7 Å²	141.7	66%	0.661	81%	0.809	S	S	*	*			trans	3.9	165.5	137	-68.1	0	0	0	0	122.3
338	P	33.6	Very low	30.4	Very low	116 Å²	116	139 Å²	139	75%	0.753	80%	0.804	S	S	*	*			cis	-136.1	178.1	-6.9	22.7	3	0	0	0	116.7
339	F	25.6	Very low	30.8	Very low	183 Å²	183	139.4 Å²	139.4	80%	0.803	81%	0.806	S	S	*	*			trans	4	133.1	141	-123.5	-98.2	0	0	0	119.7
340	Y	30.2	Very low	30.9	Very low	238 Å²	238	139.2 Å²	139.2	93%	0.933	81%	0.805	S	S	*	*			trans	-161.9	161.5	134.2	-104.6	-65.4	0	0	0	111.9
341	E	25.7	Very low	30.9	Very low	156 Å²	156	140 Å²	140	73%	0.729	81%	0.805	S	S	*	*			trans	-119.8	148.6	-168.1	-178.1	175.7	-151.5	0	0	112.1
342	T	27.1	Very low	31	Very low	123 Å²	123	143.7 Å²	143.7	76%	0.755	80%	0.802	S	S	*	*			trans	52.6	119.2	169.9	45.9	0	0	0	0	120
343	S	31.1	Very low	31.2	Very low	123 Å²	123	143.1 Å²	143.1	86%	0.86	80%	0.798	S	S	*	*				-173.1	158.1	118.8	36.3	0	0	0	0	111.8
344	V	28	Very low	31.2	Very low	141 Å²	141	143.4 Å²	143.4	86%	0.855	79%	0.794	S	S	*	*			trans	-106	131.1	177.4	175.2	0	0	0	0	109.4
345	V	30	Very low	31.4	Very low	136 Å²	136	141.7 Å²	141.7	82%	0.824	79%	0.791	S	S	*	*			trans	174.5	130.8	139.8	153	0	0	0	0	107.7
346	G	29.6	Very low	31.6	Very low	69 Å²	69	138.2 Å²	138.2	71%	0.711	79%	0.785	S	S	*	*			trans	-92	167.8	176.7	0	0	0	0	0	112.9
347	N	34	Very low	32	Very low	176 Å²	176	135.2 Å²	135.2	94%	0.941	78%	0.783	S	S	*	*			trans	-145.4	138.9	168.9	-128.3	-20.9	0	0	0	110.4
348	G	32.6	Very low	31.9	Very low	72 Å²	72	136 Å²	136	74%	0.742	79%	0.788	S	S	*	*			trans	-114.9	-176.8	-163	0	0	0	0	0	116.2
349	S	36.1	Very low	32	Very low	122 Å²	122	135.4 Å²	135.4	85%	0.853	78%	0.783	S	S	*	*			trans	-168.7	142.9	170.9	53.5	0	0	0	0	108.6
350	N	33.7	Very low	32.2	Very low	151 Å²	151	134.2 Å²	134.2	81%	0.807	78%	0.779	S	S	*	*			cis	-166.1	178	-14.3	-165.3	-5.8	0	0	0	107.4
351	V	34.4	Very low	32.3	Very low	121 Å²	121	133.9 Å²	133.9	73%	0.733	78%	0.777	S	S	*	*			trans	72.4	135.9	165.9	179.3	0	0	0	0	115.5
352	Q	34.1	Very low	32.4	Very low	158 Å²	158	130.4 Å²	130.4	74%	0.738	77%	0.77	S	S	*	*			cis	-171.9	139.1	-19.9	-156.3	176.6	10.9	0	0	106.4
353	L	34.7	Very low	32.5	Very low	149 Å²	149	132.7 Å²	132.7	78%	0.78	77%	0.771	S	S	*	*				175.9	156.5	90.3	-93.2	167.5	0	0	0	112.4
354	H	32.8	Very low	32.3	Very low	164 Å²	164	134.4 Å²	134.4	76%	0.759	77%	0.767	S	S	*	*			trans	-34.6	155.9	172	-91.9	-121.1	0	0	0	118.9
355	N	34.7	Very low	32.4	Very low	138 Å²	138	135.1 Å²	135.1	74%	0.738	76%	0.759	S	S	*	*			cis	-146	143	37.3	-99	-34.2	0	0	0	111.8
356	A	35.9	Very low	32.4	Very low	89 Å²	89	134.4 Å²	134.4	74%	0.736	75%	0.747	S	S	*	*				56.9	131.3	91.1	0	0	0	0	0	115.4
357	S	36.8	Very low	32.4	Very low	105 Å²	105	137.1 Å²	137.1	73%	0.734	75%	0.745	S	S	*	*			cis	-149	148.4	23.2	65.1	0	0	0	0	113.1
358	V	30.1	Very low	32.5	Very low	127 Å²	127	136.3 Å²	136.3	77%	0.77	74%	0.741	S	S	*	*				65.4	126.7	104.3	178.7	0	0	0	0	114.2
359	T	35.7	Very low	32.4	Very low	103 Å²	103	143 Å²	143	63%	0.632	74%	0.743	S	S	*	*			cis	-146.9	152.9	12.7	4.4	0	0	0	0	109
360	Q	29.5	Very low	32.4	Very low	157 Å²	157	144.6 Å²	144.6	73%	0.734	74%	0.741	S	S	*	*				44	134	89.7	-118.2	173.8	-9.6	0	0	114.3
361	W	31	Very low	32.4	Very low	232 Å²	232	140.2 Å²	140.2	88%	0.879	73%	0.731	S	S	*	*				-145.7	-174.1	65.8	-94.1	72.4	0	0	0	113.7
362	S	28.8	Very low	32.4	Very low	83 Å²	83	142.3 Å²	142.3	58%	0.58	74%	0.738	S	S	*	*			trans	-134.4	177.7	-159.1	60.2	0	0	0	0	115.8
363	H	29.2	Very low	32.4	Very low	171 Å²	171	139.6 Å²	139.6	79%	0.792	74%	0.737	S	S	*	*			trans	86.2	148.8	155.3	-102.1	-95.1	0	0	0	121.4
364	M	27.6	Very low	32.1	Very low	158 Å²	158	140 Å²	140	78%	0.778	74%	0.736	S	S	*	*			trans	74.2	145.8	158.6	-69	174.8	71.8	0	0	118.8
365	K	29.3	Very low	32	Very low	156 Å²	156	138.7 Å²	138.7	68%	0.678	75%	0.745	S	S	*	*			cis	-169.9	-179	-25.2	-145.4	167.4	166	-92.7	0	109.4
366	E	29.1	Very low	31.6	Very low	121 Å²	121	136.9 Å²	136.9	57%	0.565	74%	0.742	S	S	*	*			trans	71.4	92.3	151	-117.9	61.9	-117.1	0	0	121.9
367	N	29.5	Very low	31.4	Very low	126 Å²	126	140.9 Å²	140.9	67%	0.674	75%	0.748	S	S	*	*				40.6	116.1	118.7	-64.3	-48.9	0	0	0	122.8
368	N	35.9	Very low	31	Very low	159 Å²	159	141.3 Å²	141.3	85%	0.85	74%	0.742	S	S	*	*			trans	-161.9	122.9	131.4	-101.3	-31.8	0	0	0	108.8
369	R	31.4	Very low	31.1	Very low	212 Å²	212	143 Å²	143	80%	0.8	74%	0.739	S	S	*	*			cis	102.9	135.2	15.2	-155.7	-167.1	-156.3	-151.2	6.9	113.5
370	I	35.6	Very low	30.9	Very low	157 Å²	157	143 Å²	143	81%	0.805	74%	0.743	S	S	*	*			trans	74.4	129.4	175.4	-41.5	177.7	0	0	0	114.6
371	G	35.1	Very low	31.3	Very low	58 Å²	58	142.2 Å²	142.2	60%	0.598	74%	0.744	S	S	*	*			cis	164.4	161.8	-10.7	0	0	0	0	0	114.6
372	N	34	Very low	31.6	Very low	165 Å²	165	136.9 Å²	136.9	88%	0.882	73%	0.733	S	S	*	*			trans	68.6	152.5	162.9	-61.4	2.6	0	0	0	119.2
373	S	32.6	Very low	32	Very low	101 Å²	101	139.7 Å²	139.7	71%	0.706	74%	0.74	S	S	*	*			cis	-162.3	166	-31.1	-161.3	0	0	0	0	111.7
374	M	28.8	Very low	32.4	Very low	157 Å²	157	136.4 Å²	136.4	77%	0.773	74%	0.736	S	S	*	*			trans	-20.6	152.1	171.7	-61.3	165.3	61.9	0	0	120.6
375	C	30.8	Very low	32.8	Very low	138 Å²	138	140.4 Å²	140.4	93%	0.932	74%	0.743	S	S	*	*			trans	-140	116.5	143.6	-88.2	0	0	0	0	110.5
376	S	27.6	Very low	33.2	Very low	99 Å²	99	137.6 Å²	137.6	69%	0.692	74%	0.743	S	S	*	*			trans	-164.2	148.6	168.7	-171.2	0	0	0	0	110.4
377	M	30.3	Very low	33.6	Very low	173 Å²	173	141 Å²	141	85%	0.852	76%	0.758	S	S	*	*			trans	69.3	136.9	170.7	-71.8	179.6	163.2	0	0	121
378	D	30.1	Very low	34.2	Very low	114 Å²	114	139.8 Å²	139.8	61%	0.61	76%	0.76	S	S	*	*			trans	71.4	113.5	142.2	-84.9	-5.4	0	0	0	124.8
379	K	31	Very low	34.4	Very low	163 Å²	163	139.5 Å²	139.5	71%	0.709	76%	0.759	S	S	*	*				79.3	119.3	120.6	-69.9	169.4	-172.8	144.5	0	123.1
380	S	31.4	Very low	35.1	Very low	102 Å²	102	134.8 Å²	134.8	71%	0.713	76%	0.756	S	S	*	*			trans	78.2	147.5	131.7	57.7	0	0	0	0	122.2
381	D	37.9	Very low	35.3	Very low	142 Å²	142	132.8 Å²	132.8	76%	0.759	76%	0.755	S	S	*	*			trans	73.6	140	153.9	-75.4	21.2	0	0	0	119.4
382	N	36.6	Very low	35.3	Very low	120 Å²	120	135.1 Å²	135.1	64%	0.642	76%	0.762	S	S	*	*			cis	-162.7	173.9	-10.1	-138.4	-45.2	0	0	0	112.4
383	I	37.7	Very low	35.5	Very low	141 Å²	141	138.2 Å²	138.2	72%	0.723	76%	0.763	S	S	*	*			trans	62.3	110.3	154.9	-66.6	157	0	0	0	117.4
384	S	38.2	Very low	35.9	Very low	103 Å²	103	139.7 Å²	139.7	72%	0.72	77%	0.77	S	S	*	*				-168	139.5	74.1	-65.2	0	0	0	0	115.1
385	R	35.5	Very low	36.2	Very low	242 Å²	242	136.9 Å²	136.9	91%	0.913	77%	0.772	S	S	*	*			trans	36.9	137.6	142	-68.8	178.6	179	170.6	0.1	120.9
386	S	38.8	Very low	36.6	Very low	97 Å²	97	136.2 Å²	136.2	68%	0.678	77%	0.769	S	S	*	*			cis	-169.4	143.5	5.5	44.9	0	0	0	0	114.1
387	Q	37.5	Very low	37	Very low	191 Å²	191	142.8 Å²	142.8	89%	0.893	78%	0.779	S	S	*	*			trans	46.2	137.3	139.2	-64.1	175.5	-7.7	0	0	120
388	S	41	Very low	37.4	Very low	102 Å²	102	142.6 Å²	142.6	71%	0.713	78%	0.78	S	S	*	*			cis	-165.4	-172.3	2.8	60.6	0	0	0	0	108.2
389	N	40	Very low	37.7	Very low	153 Å²	153	141.5 Å²	141.5	82%	0.818	78%	0.782	S	S	*	*			cis	-155	171.7	3.9	-136.9	16.8	0	0	0	109.2
390	P	45.7	Very low	38	Very low	113 Å²	113	140 Å²	140	73%	0.734	79%	0.787	S	S	*	*			trans	-119.1	166.1	-160.5	42.8	-36.1	0	0	0	118
391	S	41.3	Very low	38.2	Very low	114 Å²	114	140 Å²	140	80%	0.797	79%	0.787	S	S	*	*			trans	-176	158.3	145.5	50.1	0	0	0	0	109.9
392	S	35.3	Very low	38.2	Very low	107 Å²	107	137.8 Å²	137.8	75%	0.748	79%	0.788	S	S	*	*			cis	170.8	113.7	-47.7	48.3	0	0	0	0	107.2
393	Y	36.4	Very low	38.5	Very low	230 Å²	230	138 Å²	138	90%	0.902	80%	0.799	S	S	*	*			trans	-67.1	164.9	172.8	-56.1	-90.3	0	0	0	111.5
394	P	41.9	Very low	38.6	Very low	132 Å²	132	138.8 Å²	138.8	86%	0.857	81%	0.805	S	S	*	*				-150.9	174.8	85.4	40	-20.7	0	0	0	117.7
395	A	35.1	Very low	38.8	Very low	98 Å²	98	145.5 Å²	145.5	81%	0.81	81%	0.814	S	S	*	*			trans	-61.9	167.6	-176.6	0	0	0	0	0	119.1
396	S	40.1	Very low	39.1	Very low	125 Å²	125	139.7 Å²	139.7	87%	0.874	81%	0.807	S	S	*	*			trans	-157	156.8	137.9	48.4	0	0	0	0	112.1
397	R	34.4	Very low	39	Very low	237 Å²	237	139.5 Å²	139.5	89%	0.894	81%	0.812	S	S	*	*			trans	-112.9	142.2	177.6	-61.2	174.7	176.9	177.2	-2.3	110.7
398	L	39	Very low	39.4	Very low	168 Å²	168	136.6 Å²	136.6	88%	0.88	81%	0.809	S	S	*	*			trans	-161.5	128.4	145.7	-85.7	124.1	0	0	0	105.7
399	S	37.2	Very low	39.2	Very low	91 Å²	91	136.8 Å²	136.8	64%	0.636	81%	0.811	S	S	*	*			cis	89.6	117.2	47.3	-65.8	0	0	0	0	113.5
400	T	37.3	Very low	39	Very low	133 Å²	133	135.7 Å²	135.7	82%	0.816	81%	0.81	S	S	*	*			trans	60.1	153.6	150.6	51.1	0	0	0	0	120.2
401	S	36.1	Very low	38.6	Very low	102 Å²	102	137.8 Å²	137.8	71%	0.713	81%	0.813	S	S	*	*			cis	-176.3	139.8	-32.1	50.6	0	0	0	0	109.4
402	A	37.9	Very low	38.2	Very low	95 Å²	95	137.1 Å²	137.1	79%	0.785	81%	0.814	S	S	*	*			trans	54.6	126.6	160.3	0	0	0	0	0	120.5
403	S	41.4	Very low	38.4	Very low	125 Å²	125	138.1 Å²	138.1	87%	0.874	82%	0.816	S	S	*	*			trans	-164.1	133.9	142.3	-88.9	0	0	0	0	113.6
404	N	40.1	Very low	38.4	Very low	157 Å²	157	132.8 Å²	132.8	84%	0.84	81%	0.812	S	S	*	*			trans	-60.3	150.5	-175	-50.3	-55.2	0	0	0	115.8
405	R	42.4	Very low	38.3	Very low	244 Å²	244	133.1 Å²	133.1	92%	0.921	81%	0.812	S	S	*	*				-170.6	162	111.2	-103.4	-170.5	167.8	-151.6	-5.7	113.7
406	P	42.2	Very low	38.5	Very low	119 Å²	119	135.4 Å²	135.4	77%	0.773	81%	0.81	S	S	*	*			trans	-101.6	177.7	-163.8	40.9	-38.3	0	0	0	115.4
407	A	35.9	Very low	38.2	Very low	93 Å²	93	134.6 Å²	134.6	77%	0.769	81%	0.805	S	S	*	*			trans	-78.8	167.7	173.6	0	0	0	0	0	114.2
408	P	46.3	Very low	38.4	Very low	130 Å²	130	128.6 Å²	128.6	84%	0.844	80%	0.799	S	S	*	*			trans	-118.3	174.9	142.8	38	-29.5	0	0	0	111.8
409	S	36.7	Very low	38.7	Very low	107 Å²	107	126.5 Å²	126.5	75%	0.748	80%	0.795	S	S	*	*			trans	-132.5	164.5	-173.2	57.8	0	0	0	0	113.1
410	V	36.8	Very low	39.2	Very low	130 Å²	130	132.8 Å²	132.8	79%	0.788	81%	0.805	S	S	*	*			trans	64.3	119	166.9	-166.3	0	0	0	0	117.6
411	I	37.7	Very low	39.8	Very low	157 Å²	157	132 Å²	132	81%	0.805	80%	0.8	S	S	*	*				-160.3	142	129.2	-99.5	152.7	0	0	0	107.1	T413	I411-T413 HydrophobicContact CG2-CG2 4.22Å
412	A	32.5	Very low	40.4	Very low	100 Å²	100	135.9 Å²	135.9	83%	0.826	80%	0.804	S	S	*	*			trans	-108.8	134.6	174.8	0	0	0	0	0	110.1
413	T	39.8	Very low	41.6	Very low	127 Å²	127	134.8 Å²	134.8	78%	0.779	79%	0.788	S	S	*	*			trans	-135.6	133	172.2	47.3	0	0	0	0	110	I411	I411-T413 HydrophobicContact CG2-CG2 4.22Å
414	S	35.2	Very low	42.1	Very low	118 Å²	118	138.4 Å²	138.4	83%	0.825	78%	0.783	S	S	*	*			trans	-90.3	131.3	-177.9	44.1	0	0	0	0	111.5
415	V	40.6	Very low	43	Very low	139 Å²	139	133.9 Å²	133.9	84%	0.842	77%	0.767	S	S	*	*			trans	-144.1	127.5	162.9	-85.5	0	0	0	0	112.3
416	N	38.3	Very low	43.7	Very low	146 Å²	146	126.4 Å²	126.4	78%	0.781	75%	0.745	S	S	*	*			trans	7.4	119.6	161.5	-80	-34.2	0	0	0	121.4
417	S	34.5	Very low	44.6	Very low	109 Å²	109	124.2 Å²	124.2	76%	0.762	73%	0.726	S	S	*	*				54.5	102.3	112.6	-50.8	0	0	0	0	119.1
418	S	39.6	Very low	45.6	Very low	111 Å²	111	122.8 Å²	122.8	78%	0.776	72%	0.715	S	S	*	*			trans	-138.4	143.6	151.4	-79	0	0	0	0	109.8	R420	S418-R420 PolarHBondContact O-N 3.16Å
419	P	44.9	Very low	46	Very low	123 Å²	123	119.6 Å²	119.6	80%	0.799	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-69.3	125.4	-171.6	27.1	-34	0	0	0	111.4	T421	P419-T421 PolarHBondContact O-N 3.14Å; P419-T421 VanDerWaalsContact O-N 3.13Å
420	R	47	Very low	46.6	Very low	224 Å²	224	120.8 Å²	120.8	85%	0.845	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-55.1	117.7	174.4	-92.9	-178.9	150.9	-157.3	-5.2	110.6	S418	S418-R420 PolarHBondContact O-N 3.16Å
421	T	49.1	Very low	47.2	Very low	116 Å²	116	119.5 Å²	119.5	71%	0.712	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-61.2	140.9	170.6	46.2	0	0	0	0	110.5	P419 T423	P419-T421 PolarHBondContact O-N 3.14Å; P419-T421 VanDerWaalsContact O-N 3.13Å; T421-T423 VanDerWaalsContact C-N 3.32Å; T421-T423 PolarHBondContact O-N 3.05Å
422	K	49.7	Very low	47.5	Very low	183 Å²	183	116.6 Å²	116.6	80%	0.796	68%	0.684	S	S	*	*			trans	-76.8	80.4	-179.5	-67.4	179.1	-177.6	173.5	0	110.3	I427	K422-I427 HydrophobicContact CB-CD1 4.34Å
423	T	62.2	Low	48.1	Very low	73 Å²	73	121.9 Å²	121.9	45%	0.448	69%	0.689	S	S	.	*			trans	-62.2	142.1	170	50	0	0	0	0	110.6	T421 A425 N426	T421-T423 VanDerWaalsContact C-N 3.32Å; T421-T423 PolarHBondContact O-N 3.05Å; T423-A425 PolarHBondContact O-N 2.72Å; T423-A425 VanDerWaalsContact O-N 3.13Å; T423-N426 WeakPolarHBondContact O-CB 3.44Å; T423-N426 PolarHBondContact O-N 2.83Å
424	W	52.3	Low	47.9	Very low	201 Å²	201	119.2 Å²	119.2	76%	0.761	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-27.6	-173.4	-147.9	-135.4	0	0	0	113	N426 I427 A428	W424-N426 VanDerWaalsContact C-N 3.29Å; W424-N426 PolarHBondContact O-N 3.15Å; W424-I427 HydrophobicContact CE3-CB 4.2Å; W424-I427 HydrophobicContact CE3-CD1 3.76Å; W424-I427 HydrophobicContact CE3-CG2 4.35Å; W424-I427 HydrophobicContact CH2-CG2 4.39Å; W424-I427 HydrophobicContact CZ3-CB 4.36Å; W424-I427 HydrophobicContact CZ3-CD1 3.63Å; W424-I427 HydrophobicContact CZ3-CG2 4.07Å; W424-I427 PolarHBondContact O-N 2.8Å; W424-A428 PolarHBondContact O-N 2.67Å
425	A	58.7	Low	47.9	Very low	61 Å²	61	118.6 Å²	118.6	50%	0.504	68%	0.682	S	S	.	*	H	α-helix	trans	-59	-33.7	171.9	0	0	0	0	0	113.9	T423 I427	T423-A425 PolarHBondContact O-N 2.72Å; T423-A425 VanDerWaalsContact O-N 3.13Å; A425-I427 VanDerWaalsContact C-N 3.25Å; A425-I427 PolarHBondContact O-N 2.85Å
426	N	58.4	Low	47.5	Very low	88 Å²	88	117 Å²	117	47%	0.471	68%	0.683	S	S	.	*	H	α-helix	trans	-76.7	-13.6	177.3	-68.2	-5.5	0	0	0	112.7	T423 W424	T423-N426 WeakPolarHBondContact O-CB 3.44Å; T423-N426 PolarHBondContact O-N 2.83Å; W424-N426 VanDerWaalsContact C-N 3.29Å; W424-N426 PolarHBondContact O-N 3.15Å
427	I	61	Low	47.3	Very low	73 Å²	73	114.2 Å²	114.2	37%	0.374	68%	0.681	S	S	.	*	H	α-helix	trans	-97.5	-39.8	178.3	-68	174.2	0	0	0	110.1	K422 W424 A425 G429 Q430	K422-I427 HydrophobicContact CB-CD1 4.34Å; W424-I427 HydrophobicContact CE3-CB 4.2Å; W424-I427 HydrophobicContact CE3-CD1 3.76Å; W424-I427 HydrophobicContact CE3-CG2 4.35Å; W424-I427 HydrophobicContact CH2-CG2 4.39Å; W424-I427 HydrophobicContact CZ3-CB 4.36Å; W424-I427 HydrophobicContact CZ3-CD1 3.63Å; W424-I427 HydrophobicContact CZ3-CG2 4.07Å; W424-I427 PolarHBondContact O-N 2.8Å; A425-I427 VanDerWaalsContact C-N 3.25Å; A425-I427 PolarHBondContact O-N 2.85Å; I427-G429 PolarHBondContact O-N 3.2Å; I427-G429 VanDerWaalsContact O-N 3.16Å; I427-Q430 PolarHBondContact O-N 3.1Å; I427-Q430 VanDerWaalsContact O-N 3.15Å
428	A	56.5	Low	47.2	Very low	63 Å²	63	114.3 Å²	114.3	52%	0.521	68%	0.676	S	S	.	*	H	α-helix	trans	-63.2	-17	174.7	0	0	0	0	0	114.5	W424	W424-A428 PolarHBondContact O-N 2.67Å
429	G	55.3	Low	47.1	Very low	62 Å²	62	116.4 Å²	116.4	64%	0.639	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	1.2	175.9	0	0	0	0	0	115.6	I427	I427-G429 PolarHBondContact O-N 3.2Å; I427-G429 VanDerWaalsContact O-N 3.16Å
430	Q	48.6	Very low	46.6	Very low	133 Å²	133	118.3 Å²	118.3	62%	0.621	68%	0.676	S	S	*	*	S	Bend	trans	-99	136.4	176.8	-68.8	-76.1	-67	0	0	109.9	I427	I427-Q430 PolarHBondContact O-N 3.1Å; I427-Q430 VanDerWaalsContact O-N 3.15Å
431	P	48.5	Very low	45.8	Very low	102 Å²	102	115.6 Å²	115.6	66%	0.662	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-63.7	147.4	168.7	28.5	-33.8	0	0	0	109.9	K433	P431-K433 PolarHBondContact O-N 3.28Å
432	P	45.6	Very low	45	Very low	96 Å²	96	115 Å²	115	62%	0.623	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-61.3	131.1	178.7	25.6	-33.7	0	0	0	110.6	G434	P432-G434 PolarHBondContact O-N 2.88Å
433	K	44.4	Very low	44.3	Very low	212 Å²	212	113.5 Å²	113.5	92%	0.922	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	79.8	175.1	-70.8	-171.3	174.8	-171.4	0	110.3	P431	P431-K433 PolarHBondContact O-N 3.28Å
434	G	35.2	Very low	42.7	Very low	70 Å²	70	113.3 Å²	113.3	72%	0.722	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-171.3	-34.2	179	0	0	0	0	0	113.4	P432	P432-G434 PolarHBondContact O-N 2.88Å
435	S	35.1	Very low	41.7	Very low	105 Å²	105	116.6 Å²	116.6	73%	0.734	71%	0.709	S	S	*	*			trans	-118	76.9	-171.2	-50.3	0	0	0	0	111.9
436	A	32.4	Very low	40.5	Very low	105 Å²	105	119.5 Å²	119.5	87%	0.868	73%	0.726	S	S	*	*			trans	-136.8	34.1	-176.4	0	0	0	0	0	114
437	A	33.9	Very low	39.2	Very low	89 Å²	89	119.5 Å²	119.5	74%	0.736	74%	0.738	S	S	*	*			trans	-159.9	145.8	163.1	0	0	0	0	0	105.8
438	V	33.6	Very low	37.9	Very low	110 Å²	110	125.5 Å²	125.5	67%	0.667	76%	0.761	S	S	*	*			cis	-130	145.7	20.2	167.6	0	0	0	0	110.6
439	I	35.9	Very low	36.7	Very low	155 Å²	155	133.1 Å²	133.1	80%	0.795	78%	0.777	S	S	*	*			trans	-94.9	134.1	160.8	-71.9	175.9	0	0	0	108
440	Q	35.5	Very low	35.7	Very low	164 Å²	164	135.4 Å²	135.4	77%	0.766	78%	0.783	S	S	*	*	S	Bend	trans	68.4	128.8	175.1	-70	167.6	-33.4	0	0	117.8
441	N	29	Very low	35	Very low	166 Å²	166	136.2 Å²	136.2	89%	0.888	79%	0.786	S	S	*	*			trans	47.7	82.9	154.3	-63	9	0	0	0	119.2
442	S	33.7	Very low	34.6	Very low	104 Å²	104	137.2 Å²	137.2	73%	0.727	79%	0.793	S	S	*	*			trans	-148.4	119.1	151.4	62.1	0	0	0	0	112.2
443	V	34.2	Very low	34.2	Very low	151 Å²	151	141.5 Å²	141.5	92%	0.915	80%	0.804	S	S	*	*			trans	-77	124.8	171.9	-79.9	0	0	0	0	111.3
444	G	28.7	Very low	33.8	Very low	69 Å²	69	138.8 Å²	138.8	71%	0.711	80%	0.8	S	S	*	*			trans	68.9	129.5	155.7	0	0	0	0	0	118.6
445	W	30.8	Very low	33.9	Very low	270 Å²	270	140 Å²	140	100%	1.023	80%	0.795	S	S	*	*			trans	-120.5	108	151.9	-89.2	-16.8	0	0	0	111.4
446	S	34.8	Very low	34.1	Very low	122 Å²	122	141.3 Å²	141.3	85%	0.853	80%	0.799	S	S	*	*			trans	-70.4	155	167.9	-173.4	0	0	0	0	111
447	A	31.3	Very low	34.5	Very low	88 Å²	88	141 Å²	141	73%	0.727	80%	0.796	S	S	*	*			trans	-66	132.8	-175.3	0	0	0	0	0	113.2
448	K	33.6	Very low	34.8	Very low	199 Å²	199	141.3 Å²	141.3	87%	0.865	80%	0.799	S	S	*	*			trans	-174.2	115	147.5	-105	152.5	-171.9	174.9	0	112.1
449	R	31.1	Very low	35	Very low	223 Å²	223	143.4 Å²	143.4	84%	0.842	81%	0.806	S	S	*	*			trans	-157.9	48.6	154.1	-136.4	-177.6	-63.7	-122.2	4.9	114.7
450	S	34.5	Very low	35.1	Very low	110 Å²	110	147.4 Å²	147.4	77%	0.769	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-87	130.5	156.2	45.2	0	0	0	0	109.2
451	H	34.3	Very low	35	Very low	150 Å²	150	144.2 Å²	144.2	69%	0.694	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-91.5	123.8	179.7	-65.8	77.7	0	0	0	109.7
452	P	38.9	Very low	35.4	Very low	123 Å²	123	146 Å²	146	80%	0.799	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-83.1	116.1	171.5	31.3	-30.6	0	0	0	110.4
453	H	38.1	Very low	35.6	Very low	186 Å²	186	149.3 Å²	149.3	86%	0.861	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-73.5	132.9	166.7	-82.5	-87.2	0	0	0	110.3
454	N	35.5	Very low	36.1	Very low	156 Å²	156	147.2 Å²	147.2	83%	0.834	80%	0.801	S	S	*	*			trans	-107.1	128.8	-178.4	-179.8	30.7	0	0	0	111.4
455	P	38	Very low	36.5	Very low	94 Å²	94	148.9 Å²	148.9	61%	0.61	80%	0.802	S	S	*	*			trans	-109.5	144	168.9	36.5	-27.8	0	0	0	114.2
456	T	38.6	Very low	36.9	Very low	134 Å²	134	142.4 Å²	142.4	82%	0.822	79%	0.792	S	S	*	*			trans	65.8	96.8	152.4	44.7	0	0	0	0	121.6
457	A	39.5	Very low	37.1	Very low	99 Å²	99	140.4 Å²	140.4	82%	0.818	79%	0.79	S	S	*	*				87.1	162	107.9	0	0	0	0	0	122.6
458	A	40.3	Very low	37.3	Very low	95 Å²	95	143 Å²	143	79%	0.785	79%	0.792	S	S	*	*			trans	79.7	71.3	162.1	0	0	0	0	0	120.7
459	N	38	Very low	37.5	Very low	153 Å²	153	145.1 Å²	145.1	82%	0.818	80%	0.796	S	S	*	*				36.9	110.7	120.6	-109.5	-15.6	0	0	0	119.8
460	R	37.9	Very low	37.6	Very low	240 Å²	240	139.7 Å²	139.7	91%	0.906	79%	0.793	S	S	*	*				-175.3	148.7	99	-94.7	170.6	-150.7	-135.6	4.7	113.4
461	S	35.1	Very low	37.8	Very low	97 Å²	97	141.3 Å²	141.3	68%	0.678	80%	0.798	S	S	*	*			trans	-72.2	152.4	-179.5	51.1	0	0	0	0	115.4
462	F	36.5	Very low	37.8	Very low	202 Å²	202	137.5 Å²	137.5	89%	0.886	80%	0.799	S	S	*	*				-162.9	158	121.2	-106.3	-70.6	0	0	0	112.4
463	Q	38.6	Very low	37.7	Very low	174 Å²	174	143.5 Å²	143.5	81%	0.813	81%	0.806	S	S	*	*			trans	-162	178.3	-172.5	-110.4	-162.2	-18.5	0	0	107.6
464	P	44.7	Very low	37.5	Very low	107 Å²	107	138.6 Å²	138.6	70%	0.695	80%	0.798	S	S	*	*			cis	-133	-179.4	-45.3	38.7	-22.3	0	0	0	112.1
465	S	35.8	Very low	37.5	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	80%	0.798	S	S	*	*			trans	-170.4	105.7	155.5	179.5	0	0	0	0	109
466	T	39.2	Very low	37.4	Very low	133 Å²	133	139.6 Å²	139.6	82%	0.816	81%	0.807	S	S	*	*				65.5	113.7	76.7	59.6	0	0	0	0	116.2
467	G	40.3	Very low	37.3	Very low	80 Å²	80	140.5 Å²	140.5	83%	0.825	81%	0.806	S	S	*	*			trans	174.5	84.2	175.2	0	0	0	0	0	113
468	N	35.1	Very low	37.2	Very low	144 Å²	144	143.9 Å²	143.9	77%	0.77	81%	0.807	S	S	*	*			trans	-79.9	156.9	170.1	-66.5	-25.4	0	0	0	110.6
469	Y	36.7	Very low	37.1	Very low	242 Å²	242	144.2 Å²	144.2	95%	0.949	81%	0.809	S	S	*	*				-173.1	162.8	120.7	-78.2	-49.7	0	0	0	110
470	S	33.3	Very low	37	Very low	110 Å²	110	144.3 Å²	144.3	77%	0.769	81%	0.81	S	S	*	*			trans	-138.1	166.2	-169	57.9	0	0	0	0	112.2
471	V	39	Very low	37	Very low	144 Å²	144	137.2 Å²	137.2	87%	0.873	80%	0.803	S	S	*	*			trans	160.7	146.7	145.3	152.3	0	0	0	0	112
472	G	35.3	Very low	37	Very low	70 Å²	70	137.8 Å²	137.8	72%	0.722	81%	0.807	S	S	*	*			trans	62.5	113.4	154	0	0	0	0	0	118.6
473	R	35.9	Very low	37	Very low	248 Å²	248	134.1 Å²	134.1	94%	0.936	81%	0.805	S	S	*	*			cis	88.5	94.2	25.3	-150.7	-174.5	-160.4	-160.6	6.8	116.7
474	A	34.8	Very low	37.1	Very low	84 Å²	84	132.5 Å²	132.5	69%	0.694	80%	0.802	S	S	*	*			trans	91	137.9	141.6	0	0	0	0	0	123.3
475	N	35.7	Very low	36.8	Very low	155 Å²	155	135.2 Å²	135.2	83%	0.829	81%	0.811	S	S	*	*			trans	80.2	103.5	147.6	-66.5	5.7	0	0	0	123.6
476	S	34.9	Very low	36.9	Very low	115 Å²	115	134.1 Å²	134.1	80%	0.804	82%	0.816	S	S	*	*				56.3	112.3	121	-163.2	0	0	0	0	122.1
477	L	37.8	Very low	36.7	Very low	154 Å²	154	135.7 Å²	135.7	81%	0.806	81%	0.813	S	S	*	*			trans	-160.4	116.2	148.8	-94.2	145.2	0	0	0	106.6
478	M	36.2	Very low	36.5	Very low	170 Å²	170	138.9 Å²	138.9	84%	0.837	81%	0.811	S	S	*	*				77.6	131.7	97.2	-85.1	-158.5	-178.1	0	0	118
479	A	39.2	Very low	36.6	Very low	101 Å²	101	137 Å²	137	84%	0.835	81%	0.805	S	S	*	*			trans	66.7	165.3	149.9	0	0	0	0	0	119.9
480	N	34.9	Very low	36.8	Very low	155 Å²	155	134 Å²	134	83%	0.829	80%	0.799	S	S	*	*			cis	-167.4	165.3	-43.1	-168.3	16.1	0	0	0	108.9
481	A	37.1	Very low	36.9	Very low	92 Å²	92	137 Å²	137	76%	0.76	80%	0.801	S	S	*	*			trans	72	163.4	159.1	0	0	0	0	0	119.5
482	S	36.4	Very low	36.9	Very low	109 Å²	109	135.9 Å²	135.9	76%	0.762	79%	0.79	S	S	*	*			trans	-138.6	152.8	-174.9	165.3	0	0	0	0	109.4
483	C	35.9	Very low	37.1	Very low	125 Å²	125	142 Å²	142	85%	0.845	79%	0.792	S	S	*	*			trans	-155.3	154.9	163.3	53.6	0	0	0	0	112.6
484	N	39.9	Very low	37.2	Very low	140 Å²	140	136 Å²	136	75%	0.749	78%	0.782	S	S	*	*			trans	-104.3	167.1	-166.8	-67.2	-43.4	0	0	0	114.3
485	N	38.5	Very low	37.3	Very low	164 Å²	164	138.7 Å²	138.7	88%	0.877	79%	0.785	S	S	*	*			trans	54.2	131.1	143.7	-65.1	-7.8	0	0	0	121.5
486	G	38.1	Very low	37.4	Very low	82 Å²	82	137.4 Å²	137.4	85%	0.845	78%	0.783	S	S	*	*			trans	-165	127.7	158.5	0	0	0	0	0	111
487	H	36.5	Very low	37.5	Very low	165 Å²	165	135.6 Å²	135.6	76%	0.764	78%	0.783	S	S	*	*			trans	-141.8	129.8	-172	156.9	88	0	0	0	110.7
488	L	36.2	Very low	37.7	Very low	147 Å²	147	134.6 Å²	134.6	77%	0.77	78%	0.778	S	S	*	*			trans	-166.1	175.7	146.2	-135.1	59.9	0	0	0	113.6
489	T	37.2	Very low	38.2	Very low	106 Å²	106	134.3 Å²	134.3	65%	0.65	77%	0.774	S	S	*	*			trans	-80.8	179.1	-174.7	52.1	0	0	0	0	112.4
490	Q	40.7	Very low	38.3	Very low	177 Å²	177	134.9 Å²	134.9	83%	0.827	77%	0.773	S	S	*	*			cis	-162.9	-174.4	38	-153.4	165.1	49.1	0	0	113.3
491	Q	35.1	Very low	38.6	Very low	173 Å²	173	130.9 Å²	130.9	81%	0.808	77%	0.768	S	S	*	*			trans	-88.9	152.2	-171.5	-56.8	152	-56	0	0	113.5
492	D	39.1	Very low	38.7	Very low	121 Å²	121	134.9 Å²	134.9	65%	0.647	78%	0.777	S	S	*	*				-177.5	154.5	115.6	-119.4	-25.1	0	0	0	117.9
493	R	38.3	Very low	38.9	Very low	200 Å²	200	133 Å²	133	76%	0.755	77%	0.774	S	S	*	*			trans	54.8	108	146	-76.2	173.6	-176.1	107.6	16	126.4
494	V	38.5	Very low	39.1	Very low	120 Å²	120	139.3 Å²	139.3	73%	0.727	78%	0.78	S	S	*	*				70.8	135.9	102.8	168.5	0	0	0	0	123.4
495	N	36.7	Very low	39.1	Very low	141 Å²	141	137 Å²	137	75%	0.754	78%	0.775	S	S	*	*			trans	71.9	152.8	159.3	-78.2	3.1	0	0	0	120
496	T	37.5	Very low	39	Very low	129 Å²	129	137.1 Å²	137.1	79%	0.791	78%	0.775	S	S	*	*			cis	-165.1	157.6	-14.2	19.9	0	0	0	0	111.4
497	G	38.4	Very low	39.1	Very low	77 Å²	77	136.9 Å²	136.9	79%	0.794	77%	0.765	S	S	*	*			trans	111.3	150.2	162.3	0	0	0	0	0	115.3
498	D	41.4	Very low	38.9	Very low	132 Å²	132	137.4 Å²	137.4	71%	0.706	77%	0.768	S	S	*	*			cis	-158.8	161.8	-4.9	-165	16.9	0	0	0	112.1
499	Q	46.1	Very low	39.2	Very low	164 Å²	164	136.2 Å²	136.2	77%	0.766	77%	0.771	S	S	*	*			trans	17.9	153.2	158.6	-80.1	169.9	92	0	0	122.9
500	S	41.6	Very low	39.1	Very low	114 Å²	114	138.6 Å²	138.6	80%	0.797	78%	0.78	S	S	*	*			cis	-172.1	160.5	-3.7	175.6	0	0	0	0	109
501	G	40.7	Very low	39.1	Very low	71 Å²	71	136.1 Å²	136.1	73%	0.732	78%	0.783	S	S	*	*			trans	163.6	44.7	172.9	0	0	0	0	0	123.2
502	N	40.5	Very low	39	Very low	176 Å²	176	136.2 Å²	136.2	94%	0.941	78%	0.783	S	S	*	*			trans	14.6	134.7	159.8	-83.1	-25.9	0	0	0	122.9
503	G	40.7	Very low	39	Very low	69 Å²	69	138.8 Å²	138.8	71%	0.711	80%	0.796	S	S	*	*			trans	156.1	68.8	135.8	0	0	0	0	0	123.6
504	R	39.4	Very low	38.9	Very low	257 Å²	257	138.2 Å²	138.2	97%	0.97	80%	0.799	S	S	*	*			trans	49.8	146.6	138.1	-63.8	177.9	-176.5	177	0.5	120.9
505	S	39.8	Very low	39	Very low	91 Å²	91	138.3 Å²	138.3	64%	0.636	81%	0.805	S	S	*	*			cis	177.9	131.6	-3	159.8	0	0	0	0	111.5
506	L	36.9	Very low	38.8	Very low	167 Å²	167	138.3 Å²	138.3	87%	0.874	81%	0.81	S	S	*	*			trans	51.2	159.6	152.8	-81.6	73.9	0	0	0	120.1
507	A	39.3	Very low	39.1	Very low	77 Å²	77	137.1 Å²	137.1	64%	0.636	81%	0.807	S	S	*	*			cis	-161.6	132.5	-18.1	0	0	0	0	0	106.3
508	E	33.5	Very low	39	Very low	177 Å²	177	140.3 Å²	140.3	83%	0.827	81%	0.806	S	S	*	*				59.1	112.8	86.3	-169.6	171.9	-167.9	0	0	116.7
509	S	42.2	Very low	39	Very low	121 Å²	121	141.2 Å²	141.2	85%	0.846	81%	0.811	S	S	*	*			trans	-173.4	146.4	147.6	-81.6	0	0	0	0	111.7
510	N	34.7	Very low	38.4	Very low	157 Å²	157	136.5 Å²	136.5	84%	0.84	81%	0.806	S	S	*	*			trans	-111.3	151.3	177	-66.7	-68.8	0	0	0	111.6
511	S	41	Very low	38.4	Very low	125 Å²	125	138.1 Å²	138.1	87%	0.874	81%	0.806	S	S	*	*			trans	-166.3	151.8	144.2	52.7	0	0	0	0	112.7
512	E	32.6	Very low	38.4	Very low	174 Å²	174	143.6 Å²	143.6	81%	0.813	81%	0.812	S	S	*	*			trans	-82.6	161.8	177	-61.9	163.6	70.6	0	0	112.5
513	L	40.2	Very low	38.5	Very low	176 Å²	176	140 Å²	140	92%	0.921	80%	0.801	S	S	*	*				-167.8	156.8	120	-103.8	165.1	0	0	0	112.5
514	K	36.2	Very low	38.6	Very low	188 Å²	188	140.9 Å²	140.9	82%	0.817	80%	0.801	S	S	*	*			trans	-89.4	147.9	-177.7	-64.8	169.5	178.9	168.4	0	112.1
515	S	38.7	Very low	38.7	Very low	122 Å²	122	135.6 Å²	135.6	85%	0.853	79%	0.792	S	S	*	*				-173.5	154.7	120.2	38.8	0	0	0	0	113.4
516	T	34.5	Very low	38.8	Very low	140 Å²	140	137.5 Å²	137.5	86%	0.859	80%	0.795	S	S	*	*			trans	-78.8	141.3	-173.1	46.2	0	0	0	0	114.5
517	S	42.5	Very low	39.1	Very low	104 Å²	104	134.8 Å²	134.8	73%	0.727	79%	0.79	S	S	*	*				-166.9	131.6	124.3	-158.4	0	0	0	0	114.2
518	N	36.5	Very low	39.2	Very low	144 Å²	144	136.7 Å²	136.7	77%	0.77	79%	0.794	S	S	*	*			trans	23	111.4	147.7	-55.3	-9.9	0	0	0	120.9
519	N	41.4	Very low	39.7	Very low	152 Å²	152	132.1 Å²	132.1	81%	0.813	78%	0.782	S	S	*	*				-163.9	114.4	118.1	-114.4	-16.7	0	0	0	112.9	N521	N519-N521 PolarHBondContact O-N 3.12Å
520	G	34.1	Very low	39.7	Very low	65 Å²	65	134.4 Å²	134.4	67%	0.67	78%	0.783	S	S	*	*			trans	-90.2	76.6	-179.7	0	0	0	0	0	113.1	H522	G520-H522 PolarHBondContact O-N 3.44Å
521	N	42	Very low	40.2	Very low	148 Å²	148	133 Å²	133	79%	0.791	78%	0.775	S	S	*	*			trans	-74.5	86.4	177.4	-95.7	-3.2	0	0	0	112	N519 S523	N519-N521 PolarHBondContact O-N 3.12Å; N521-S523 PolarHBondContact O-N 3.36Å
522	H	40.1	Very low	40.7	Very low	186 Å²	186	131.2 Å²	131.2	86%	0.861	76%	0.759	S	S	*	*			trans	-72.2	74.1	165.4	-72.1	-75.7	0	0	0	111	G520 A524	G520-H522 PolarHBondContact O-N 3.44Å; H522-A524 PolarHBondContact O-N 3.03Å; H522-A524 VanDerWaalsContact O-N 3.15Å
523	S	42.9	Very low	42	Very low	100 Å²	100	127 Å²	127	70%	0.699	75%	0.749	S	S	*	*			trans	-70.8	105	168.8	-167	0	0	0	0	109.1	N521 N525	N521-S523 PolarHBondContact O-N 3.36Å; S523-N525 PolarHBondContact O-N 2.95Å
524	A	42.3	Very low	43.1	Very low	87 Å²	87	123.3 Å²	123.3	72%	0.719	73%	0.73	S	S	*	*			trans	-69.9	116	176.9	0	0	0	0	0	109.8	H522 N526	H522-A524 PolarHBondContact O-N 3.03Å; H522-A524 VanDerWaalsContact O-N 3.15Å; A524-N526 PolarHBondContact O-N 2.63Å
525	N	42.3	Very low	44.8	Very low	146 Å²	146	115.9 Å²	115.9	78%	0.781	71%	0.707	S	S	*	*			trans	-70.2	74	174.3	-73.7	-18.8	0	0	0	110.5	S523 S527	S523-N525 PolarHBondContact O-N 2.95Å; N525-S527 PolarHBondContact O-N 2.75Å
526	N	41.3	Very low	46.5	Very low	132 Å²	132	112.8 Å²	112.8	71%	0.706	69%	0.685	S	S	*	*			trans	-77.1	76.3	176.5	-167.6	16.7	0	0	0	109.7	A524 T528	A524-N526 PolarHBondContact O-N 2.63Å; N526-T528 PolarHBondContact O-N 3.08Å
527	S	42.9	Very low	48.5	Very low	109 Å²	109	108.7 Å²	108.7	76%	0.762	67%	0.666	S	S	*	*			trans	-71.1	72.7	179.3	-61.1	0	0	0	0	111.2	N525 S529	N525-S527 PolarHBondContact O-N 2.75Å; S527-S529 PolarHBondContact O-N 3.19Å
528	T	41.8	Very low	50.3	Low	117 Å²	117	108.8 Å²	108.8	72%	0.718	66%	0.655	S	S	*	*			trans	-58.5	108.7	168.9	26.8	0	0	0	0	109.3	N526 L530	N526-T528 PolarHBondContact O-N 3.08Å; T528-L530 PolarHBondContact O-N 3.07Å; T528-L530 VanDerWaalsContact O-N 3.08Å
529	S	43.7	Very low	52.5	Low	82 Å²	82	104.7 Å²	104.7	57%	0.573	64%	0.641	S	S	*	*			trans	-65.2	111.1	-179.7	43.9	0	0	0	0	110.1	S527 L531	S527-S529 PolarHBondContact O-N 3.19Å; S529-L531 VanDerWaalsContact C-N 3.28Å; S529-L531 PolarHBondContact O-N 3.3Å
530	L	42.8	Very low	54.5	Low	168 Å²	168	98.7 Å²	98.7	88%	0.88	61%	0.607	S	S	*	*			trans	-62.5	95.1	162	-78.8	162.8	0	0	0	107.7	T528 T532	T528-L530 PolarHBondContact O-N 3.07Å; T528-L530 VanDerWaalsContact O-N 3.08Å; L530-T532 PolarHBondContact O-N 2.9Å
531	L	44.8	Very low	56.8	Low	127 Å²	127	99.3 Å²	99.3	67%	0.665	59%	0.593	S	S	*	*			trans	-57.2	103.6	173	-78.7	164.9	0	0	0	108.5	S529	S529-L531 VanDerWaalsContact C-N 3.28Å; S529-L531 PolarHBondContact O-N 3.3Å
532	T	50.9	Low	59	Low	88 Å²	88	99.2 Å²	99.2	54%	0.54	58%	0.581	S	S	.	*			trans	-60.6	150.3	170.3	56.1	0	0	0	0	109.2	L530 D534 G535	L530-T532 PolarHBondContact O-N 2.9Å; T532-D534 PolarHBondContact O-N 3.03Å; T532-G535 PolarHBondContact O-N 3.4Å; T532-G535 VanDerWaalsContact O-N 3.16Å
533	S	60.5	Low	61.2	Low	85 Å²	85	95.2 Å²	95.2	59%	0.594	56%	0.563	S	S	*	*	H	α-helix	trans	-44.1	-41.2	175.7	37.6	0	0	0	0	112.2	G535 S536 A537	S533-G535 PolarHBondContact O-N 2.85Å; S533-S536 PolarHBondContact O-N 3.44Å; S533-S536 VanDerWaalsContact O-N 3.15Å; S533-S536 PolarHBondContact O-OG 2.83Å; S533-A537 PolarHBondContact O-N 3.49Å; S533-A537 VanDerWaalsContact O-N 3.13Å
534	D	63.2	Low	63.2	Low	99 Å²	99	90.7 Å²	90.7	53%	0.529	53%	0.532	S	S	.	.	H	α-helix	trans	-69.6	-35.7	-168.4	-42.9	-17.1	0	0	0	111.3	T532 S536 A537 Q538	T532-D534 PolarHBondContact O-N 3.03Å; D534-S536 VanDerWaalsContact C-N 3.34Å; D534-S536 PolarHBondContact O-N 3.18Å; D534-A537 PolarHBondContact O-N 2.91Å; D534-Q538 WeakPolarHBondContact O-CG 3.35Å; D534-Q538 PolarHBondContact O-N 2.89Å
535	G	71.4	Confident	65.3	Low	32 Å²	32	90.6 Å²	90.6	33%	0.33	52%	0.516	S	S	.	.	H	α-helix	trans	-63.3	-39.5	173.6	0	0	0	0	0	112.3	T532 S533 A537 A539	T532-G535 PolarHBondContact O-N 3.4Å; T532-G535 VanDerWaalsContact O-N 3.16Å; S533-G535 PolarHBondContact O-N 2.85Å; G535-A537 VanDerWaalsContact C-N 3.34Å; G535-A539 WeakPolarHBondContact O-CB 3.46Å; G535-A539 PolarHBondContact O-N 3.23Å
536	S	75.2	Confident	67.5	Low	57 Å²	57	85.2 Å²	85.2	40%	0.399	49%	0.492	S	S	.	.	H	α-helix	trans	-70.3	-30.7	176.7	80.8	0	0	0	0	113.1	S533 D534 F540	S533-S536 PolarHBondContact O-N 3.44Å; S533-S536 VanDerWaalsContact O-N 3.15Å; S533-S536 PolarHBondContact O-OG 2.83Å; D534-S536 VanDerWaalsContact C-N 3.34Å; D534-S536 PolarHBondContact O-N 3.18Å; S536-F540 WeakPolarHBondContact O-CB 3.49Å; S536-F540 PolarHBondContact O-N 3.18Å
537	A	76.9	Confident	69.7	Low	55 Å²	55	79.8 Å²	79.8	46%	0.455	46%	0.463	S	S	.	.	H	α-helix	trans	-72.9	-45	175.2	0	0	0	0	0	111.5	S533 D534 G535 A539 F540 Q541	S533-A537 PolarHBondContact O-N 3.49Å; S533-A537 VanDerWaalsContact O-N 3.13Å; D534-A537 PolarHBondContact O-N 2.91Å; G535-A537 VanDerWaalsContact C-N 3.34Å; A537-A539 PolarHBondContact O-N 2.89Å; A537-F540 PolarHBondContact O-N 3.37Å; A537-Q541 PolarHBondContact O-N 3.42Å
538	Q	79.7	Confident	71.7	Confident	106 Å²	106	77.8 Å²	77.8	50%	0.495	44%	0.441	S	S	.	.	H	α-helix	trans	-63.3	-40.7	176.1	-71.6	-176.6	23.6	0	0	112.5	D534 F540 Q541 R542	D534-Q538 WeakPolarHBondContact O-CG 3.35Å; D534-Q538 PolarHBondContact O-N 2.89Å; Q538-F540 VanDerWaalsContact C-N 3.35Å; Q538-F540 PolarHBondContact O-N 3.14Å; Q538-Q541 PolarHBondContact O-N 2.96Å; Q538-R542 WeakPolarHBondContact O-CG 3.35Å; Q538-R542 PolarHBondContact O-N 2.66Å
539	A	83.4	Confident	73.9	Confident	58 Å²	58	77.9 Å²	77.9	48%	0.479	43%	0.434	S	S	.	.	H	α-helix	trans	-60.8	-44.5	176	0	0	0	0	0	111.8	G535 A537 R542 E543	G535-A539 WeakPolarHBondContact O-CB 3.46Å; G535-A539 PolarHBondContact O-N 3.23Å; A537-A539 PolarHBondContact O-N 2.89Å; A539-R542 PolarHBondContact O-N 3.45Å; A539-E543 PolarHBondContact O-N 3.18Å
540	F	82.3	Confident	76.1	Confident	25 Å²	25	82.1 Å²	82.1	11%	0.11	44%	0.437	C	S	.	.	H	α-helix	trans	-65.3	-39.3	177.1	-179.3	-117	0	0	0	113.1	S536 A537 Q538 E543 S544 F715 D718 R722	S536-F540 WeakPolarHBondContact O-CB 3.49Å; S536-F540 PolarHBondContact O-N 3.18Å; A537-F540 PolarHBondContact O-N 3.37Å; Q538-F540 VanDerWaalsContact C-N 3.35Å; Q538-F540 PolarHBondContact O-N 3.14Å; F540-E543 WeakPolarHBondContact O-CB 3.39Å; F540-E543 PolarHBondContact O-N 3.47Å; F540-S544 PolarHBondContact O-N 2.92Å; F540-F715 HydrophobicContact CD1-CE2 4.35Å; F540-D718 HydrophobicContact CE1-CB 4.2Å; F540-D718 HydrophobicContact CZ-CB 3.83Å; F540-D718 WeakPolarHBondContact CZ-O 3.29Å; F540-R722 HydrophobicContact CZ-CB 4.27Å
541	Q	83.7	Confident	78.3	Confident	78 Å²	78	75.2 Å²	75.2	36%	0.364	40%	0.401	S	S	.	.	H	α-helix	trans	-63.7	-43.2	175.2	-176.9	169.7	-18	0	0	111.5	A537 Q538 E543 S544 E545 F715	A537-Q541 PolarHBondContact O-N 3.42Å; Q538-Q541 PolarHBondContact O-N 2.96Å; Q541-E543 VanDerWaalsContact C-N 3.29Å; Q541-E543 PolarHBondContact O-N 2.81Å; Q541-S544 WeakPolarHBondContact O-CB 3.19Å; Q541-S544 PolarHBondContact O-N 2.72Å; Q541-E545 HydrophobicContact CG-CG 4.31Å; Q541-E545 VanDerWaalsContact CG-OE1 3.27Å; Q541-E545 WeakPolarHBondContact CG-OE1 3.46Å; Q541-E545 PolarHBondContact NE2-OE1 3.42Å; Q541-E545 WeakPolarHBondContact O-CB 3.03Å; Q541-E545 VanDerWaalsContact O-CG 3.31Å; Q541-E545 WeakPolarHBondContact O-CG 3.4Å; Q541-E545 PolarHBondContact O-N 3.04Å; Q541-F715 HydrophobicContact CB-CD2 4.33Å; Q541-F715 HydrophobicContact CB-CE2 3.64Å; Q541-F715 HydrophobicContact CB-CZ 4.17Å; Q541-F715 HydrophobicContact CG-CD2 4.08Å; Q541-F715 HydrophobicContact CG-CE2 3.77Å; Q541-F715 HydrophobicContact CG-CZ 4.21Å
542	R	86.7	Confident	80.2	Confident	146 Å²	146	71.6 Å²	71.6	55%	0.551	39%	0.389	S	S	*	.	H	α-helix	trans	-63.2	-33.1	175.1	-67.3	175.7	-161.3	179.4	8.4	113	Q538 A539 A546	Q538-R542 WeakPolarHBondContact O-CG 3.35Å; Q538-R542 PolarHBondContact O-N 2.66Å; A539-R542 PolarHBondContact O-N 3.45Å; R542-A546 WeakPolarHBondContact O-CB 3.35Å; R542-A546 PolarHBondContact O-N 3.42Å
543	E	86.1	Confident	81.9	Confident	103 Å²	103	75.8 Å²	75.8	48%	0.481	40%	0.4	S	S	.	.	H	α-helix	trans	-65.8	-46.9	174.5	-175.7	178	-158.6	0	0	111.3	A539 F540 Q541 A546 L547	A539-E543 PolarHBondContact O-N 3.18Å; F540-E543 WeakPolarHBondContact O-CB 3.39Å; F540-E543 PolarHBondContact O-N 3.47Å; Q541-E543 VanDerWaalsContact C-N 3.29Å; Q541-E543 PolarHBondContact O-N 2.81Å; E543-A546 PolarHBondContact O-N 3.14Å; E543-L547 PolarHBondContact O-N 3.3Å
544	S	84.8	Confident	83.2	Confident	5 Å²	5	76.3 Å²	76.3	4%	0.035	40%	0.399	C	S	.	.	H	α-helix	trans	-59.7	-50.2	174.5	-170	0	0	0	0	112	F540 Q541 A546 L547 H548 D718	F540-S544 PolarHBondContact O-N 2.92Å; Q541-S544 WeakPolarHBondContact O-CB 3.19Å; Q541-S544 PolarHBondContact O-N 2.72Å; S544-A546 PolarHBondContact O-N 3.22Å; S544-L547 PolarHBondContact O-N 3.1Å; S544-H548 PolarHBondContact O-N 2.83Å; S544-D718 WeakPolarHBondContact CB-OD2 3.49Å; S544-D718 PolarHBondContact OG-OD2 3.27Å
545	E	86.6	Confident	84.6	Confident	84 Å²	84	72.2 Å²	72.2	39%	0.393	38%	0.378	S	S	.	.	H	α-helix	trans	-62	-41.2	177.3	-71.6	168.4	178.1	0	0	112	Q541 H548 Q549	Q541-E545 HydrophobicContact CG-CG 4.31Å; Q541-E545 VanDerWaalsContact CG-OE1 3.27Å; Q541-E545 WeakPolarHBondContact CG-OE1 3.46Å; Q541-E545 PolarHBondContact NE2-OE1 3.42Å; Q541-E545 WeakPolarHBondContact O-CB 3.03Å; Q541-E545 VanDerWaalsContact O-CG 3.31Å; Q541-E545 WeakPolarHBondContact O-CG 3.4Å; Q541-E545 PolarHBondContact O-N 3.04Å; E545-H548 PolarHBondContact O-N 2.87Å; E545-Q549 WeakPolarHBondContact O-CB 3.25Å; E545-Q549 VanDerWaalsContact O-CG 3.26Å; E545-Q549 WeakPolarHBondContact O-CG 3.44Å; E545-Q549 PolarHBondContact O-N 2.87Å
546	A	88.9	Confident	85.6	Confident	33 Å²	33	72.3 Å²	72.3	27%	0.273	37%	0.37	S	S	.	.	H	α-helix	trans	-69.2	-31.9	177.3	0	0	0	0	0	112.9	R542 E543 S544 R550	R542-A546 WeakPolarHBondContact O-CB 3.35Å; R542-A546 PolarHBondContact O-N 3.42Å; E543-A546 PolarHBondContact O-N 3.14Å; S544-A546 PolarHBondContact O-N 3.22Å; A546-R550 WeakPolarHBondContact O-CD 3.47Å; A546-R550 VanDerWaalsContact O-CG 3.24Å; A546-R550 WeakPolarHBondContact O-CG 3.47Å; A546-R550 PolarHBondContact O-N 3.25Å
547	L	87.8	Confident	86.5	Confident	18 Å²	18	71.4 Å²	71.4	9%	0.094	36%	0.363	C	S	.	.	H	α-helix	trans	-68.5	-48.1	171.7	-179.7	62.1	0	0	0	110.7	E543 S544 Q549 R550 L551 K585 F714	E543-L547 PolarHBondContact O-N 3.3Å; S544-L547 PolarHBondContact O-N 3.1Å; L547-Q549 PolarHBondContact O-N 3.04Å; L547-R550 WeakPolarHBondContact O-CB 3.35Å; L547-R550 PolarHBondContact O-N 3.49Å; L547-R550 VanDerWaalsContact O-N 3.09Å; L547-L551 HydrophobicContact CD1-CD1 4.27Å; L547-L551 HydrophobicContact CD1-CG 4.37Å; L547-L551 HydrophobicContact CG-CD1 4.02Å; L547-L551 WeakPolarHBondContact O-CG 3.5Å; L547-L551 PolarHBondContact O-N 3.28Å; L547-K585 HydrophobicContact CD2-CB 4.37Å; L547-K585 HydrophobicContact CD2-CG 3.82Å; L547-F714 HydrophobicContact CD2-CE1 4.18Å; L547-F714 HydrophobicContact CD2-CZ 4.17Å
548	H	85.9	Confident	86.9	Confident	67 Å²	67	77 Å²	77	31%	0.31	39%	0.386	S	S	.	.	H	α-helix	trans	-55.6	-47.8	174.8	169.4	69.2	0	0	0	111.8	S544 E545 R550 L551 A552 F711	S544-H548 PolarHBondContact O-N 2.83Å; E545-H548 PolarHBondContact O-N 2.87Å; H548-R550 PolarHBondContact O-N 3.1Å; H548-L551 PolarHBondContact O-N 3.16Å; H548-A552 VanDerWaalsContact O-CB 3.23Å; H548-A552 WeakPolarHBondContact O-CB 3.42Å; H548-A552 PolarHBondContact O-N 3.2Å; H548-F711 AromaticContact CE1-CD1 3.98Å; H548-F711 AromaticContact CE1-CG 3.73Å; H548-F711 AromaticContact ND1-CD1 3.28Å; H548-F711 VanDerWaalsContact ND1-CD1 3.28Å; H548-F711 WeakPolarHBondContact ND1-CD1 3.46Å; H548-F711 AromaticContact ND1-CG 3.53Å
549	Q	86.9	Confident	87.3	Confident	120 Å²	120	78.9 Å²	78.9	56%	0.561	40%	0.399	S	S	*	.	H	α-helix	trans	-63.2	-21.8	177.3	-73.9	175.1	23.3	0	0	114.7	E545 L547 K553	E545-Q549 WeakPolarHBondContact O-CB 3.25Å; E545-Q549 VanDerWaalsContact O-CG 3.26Å; E545-Q549 WeakPolarHBondContact O-CG 3.44Å; E545-Q549 PolarHBondContact O-N 2.87Å; L547-Q549 PolarHBondContact O-N 3.04Å; Q549-K553 WeakPolarHBondContact O-CE 3.33Å; Q549-K553 WeakPolarHBondContact O-CG 3.24Å
550	R	89.8	Confident	87.7	Confident	170 Å²	170	78.3 Å²	78.3	64%	0.642	39%	0.386	S	S	*	.	H	α-helix	trans	-80.8	-47.8	172.4	-70.6	165.1	-167.8	176.9	5.4	110.6	A546 L547 H548 A552 K553	A546-R550 WeakPolarHBondContact O-CD 3.47Å; A546-R550 VanDerWaalsContact O-CG 3.24Å; A546-R550 WeakPolarHBondContact O-CG 3.47Å; A546-R550 PolarHBondContact O-N 3.25Å; L547-R550 WeakPolarHBondContact O-CB 3.35Å; L547-R550 PolarHBondContact O-N 3.49Å; L547-R550 VanDerWaalsContact O-N 3.09Å; H548-R550 PolarHBondContact O-N 3.1Å; R550-A552 PolarHBondContact O-N 3.31Å; R550-K553 PolarHBondContact O-N 2.96Å
551	L	89.6	Confident	88	Confident	23 Å²	23	81.5 Å²	81.5	12%	0.12	40%	0.404	C	S	.	.	H	α-helix	trans	-60.8	-45.6	178.8	-67.8	170	0	0	0	111.3	L547 H548 K553 V554 I555 I584 F711 F714	L547-L551 HydrophobicContact CD1-CD1 4.27Å; L547-L551 HydrophobicContact CD1-CG 4.37Å; L547-L551 HydrophobicContact CG-CD1 4.02Å; L547-L551 WeakPolarHBondContact O-CG 3.5Å; L547-L551 PolarHBondContact O-N 3.28Å; H548-L551 PolarHBondContact O-N 3.16Å; L551-K553 PolarHBondContact O-N 3.01Å; L551-V554 PolarHBondContact O-N 3.49Å; L551-I555 HydrophobicContact CB-CD1 4.18Å; L551-I555 WeakPolarHBondContact O-CD1 3.48Å; L551-I555 VanDerWaalsContact O-CG1 3.25Å; L551-I555 WeakPolarHBondContact O-CG1 3.4Å; L551-I555 PolarHBondContact O-N 3.43Å; L551-I584 HydrophobicContact CD1-CG2 3.71Å; L551-F711 HydrophobicContact CD1-CE1 4.29Å; L551-F714 HydrophobicContact CD1-CZ 4.48Å
552	A	84.1	Confident	88.3	Confident	51 Å²	51	79.2 Å²	79.2	42%	0.421	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-9.2	-180	0	0	0	0	0	115.5	H548 R550	H548-A552 VanDerWaalsContact O-CB 3.23Å; H548-A552 WeakPolarHBondContact O-CB 3.42Å; H548-A552 PolarHBondContact O-N 3.2Å; R550-A552 PolarHBondContact O-N 3.31Å
553	K	86.3	Confident	88.4	Confident	176 Å²	176	79.5 Å²	79.5	77%	0.765	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-12.4	174.6	-65.1	176.1	-177.2	-175.1	0	114.1	Q549 R550 L551	Q549-K553 WeakPolarHBondContact O-CE 3.33Å; Q549-K553 WeakPolarHBondContact O-CG 3.24Å; R550-K553 PolarHBondContact O-N 2.96Å; L551-K553 PolarHBondContact O-N 3.01Å
554	V	88.9	Confident	88.6	Confident	96 Å²	96	75.8 Å²	75.8	58%	0.582	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	-30.9	-172.1	-176.6	0	0	0	0	111.4	L551	L551-V554 PolarHBondContact O-N 3.49Å
555	I	92.2	Very high	89	Confident	14 Å²	14	84.2 Å²	84.2	7%	0.072	43%	0.425	C	S	.	.	S	Bend	trans	-84.8	161.5	176.1	71.4	-162.2	0	0	0	112	L551 I657 V659 F711	L551-I555 HydrophobicContact CB-CD1 4.18Å; L551-I555 WeakPolarHBondContact O-CD1 3.48Å; L551-I555 VanDerWaalsContact O-CG1 3.25Å; L551-I555 WeakPolarHBondContact O-CG1 3.4Å; L551-I555 PolarHBondContact O-N 3.43Å; I555-I657 CarbonylContact C-O 3.52Å; I555-I657 WeakPolarHBondContact CA-O 3.4Å; I555-V659 HydrophobicContact CD1-CB 4.5Å; I555-V659 HydrophobicContact CG2-CG2 4.38Å; I555-F711 HydrophobicContact CD1-CD2 4.23Å; I555-F711 HydrophobicContact CD1-CE1 4.28Å; I555-F711 HydrophobicContact CD1-CE2 3.15Å; I555-F711 HydrophobicContact CD1-CZ 3.19Å; I555-F711 HydrophobicContact CG1-CE2 4.43Å
556	N	93	Very high	89.4	Confident	33 Å²	33	86 Å²	86	18%	0.176	43%	0.431	C	S	.	.	S	Bend	trans	50.6	46.3	-176.5	-59.8	-32.9	0	0	0	114	N558 I657 F658 V659 K660	N556-N558 PolarHBondContact O-N 3.18Å; N556-I657 PolarHBondContact N-O 3.38Å; N556-F658 WeakPolarHBondContact OD1-CA 3.17Å; N556-V659 PolarHBondContact ND2-O 3.24Å; N556-V659 PolarHBondContact OD1-N 3.5Å; N556-K660 WeakPolarHBondContact OD1-CE 3.31Å
557	P	92.3	Very high	89.8	Confident	39 Å²	39	85 Å²	85	25%	0.253	42%	0.422	S	S	.	.			trans	-57.6	136	174.4	22.7	-30.9	0	0	0	111.4	D559 F560 I657	P557-D559 VanDerWaalsContact C-N 3.35Å; P557-F560 HydrophobicContact CG-CB 4.09Å; P557-F560 HydrophobicContact CG-CD2 3.98Å; P557-F560 HydrophobicContact CG-CG 4.45Å; P557-I657 WeakPolarHBondContact CD-O 3.34Å; P557-I657 HydrophobicContact CG-CG2 4.32Å
558	N	86.7	Confident	90.3	Very high	172 Å²	172	86.4 Å²	86.4	92%	0.92	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-22.3	-177	-63.4	-55	0	0	0	112.6	N556	N556-N558 PolarHBondContact O-N 3.18Å
559	D	88.1	Confident	90.9	Very high	146 Å²	146	83.2 Å²	83.2	78%	0.781	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	20.1	-173.1	58.1	-32.9	0	0	0	112.4	P557 D561	P557-D559 VanDerWaalsContact C-N 3.35Å; D559-D561 PolarHBondContact O-N 3.49Å
560	F	90.1	Very high	91.4	Very high	46 Å²	46	77.5 Å²	77.5	20%	0.202	39%	0.385	C	S	.	.			trans	-65.8	119.6	-178.7	-169.9	-93	0	0	0	112.3	P557 T562 Y613 M627 I657 F658 M698	P557-F560 HydrophobicContact CG-CB 4.09Å; P557-F560 HydrophobicContact CG-CD2 3.98Å; P557-F560 HydrophobicContact CG-CG 4.45Å; F560-T562 PolarHBondContact O-N 2.88Å; F560-Y613 HydrophobicContact CZ-CE1 4.4Å; F560-M627 HydrophobicContact CE1-CE 3.96Å; F560-M627 HydrophobicContact CE2-CE 4.33Å; F560-M627 HydrophobicContact CZ-CE 3.71Å; F560-I657 HydrophobicContact CD2-CG2 3.72Å; F560-I657 HydrophobicContact CE2-CD1 4.2Å; F560-I657 HydrophobicContact CE2-CG2 3.53Å; F560-I657 HydrophobicContact CZ-CD1 4.49Å; F560-I657 HydrophobicContact CZ-CG2 4.21Å; F560-F658 HydrophobicContact CB-CE1 4.49Å; F560-F658 HydrophobicContact CB-CZ 3.79Å; F560-F658 AromaticContact CD1-CE2 3.95Å; F560-F658 HydrophobicContact CD1-CE2 3.95Å; F560-F658 AromaticContact CD1-CZ 3.86Å; F560-F658 HydrophobicContact CD1-CZ 3.86Å; F560-F658 HydrophobicContact CD2-CZ 4.43Å; F560-F658 HydrophobicContact CE1-CE2 4.33Å; F560-F658 HydrophobicContact CG-CE2 4.19Å; F560-F658 AromaticContact CG-CZ 3.74Å; F560-F658 HydrophobicContact CG-CZ 3.74Å; F560-M698 HydrophobicContact CE1-CE 3.78Å; F560-M698 HydrophobicContact CE1-CG 4.06Å; F560-M698 HydrophobicContact CE1-SD 3.83Å; F560-M698 HydrophobicContact CZ-CE 4.1Å
561	D	89.8	Confident	91.9	Very high	92 Å²	92	69.4 Å²	69.4	49%	0.492	36%	0.355	S	S	.	.			trans	-69.9	124.4	177.2	-177.7	31.9	0	0	0	112.4	D559 H563	D559-D561 PolarHBondContact O-N 3.49Å; D561-H563 WeakPolarHBondContact OD1-CB 3.5Å; D561-H563 IonicContact OD1-CG 3.2Å; D561-H563 PolarHBondContact OD1-N 3.34Å; D561-H563 IonicContact OD1-ND1 3.05Å; D561-H563 PolarHBondContact OD1-ND1 3.18Å
562	T	89.9	Confident	92.3	Very high	30 Å²	30	68.3 Å²	68.3	18%	0.184	35%	0.349	C	S	.	.			trans	-97	-9.8	176.4	55.9	0	0	0	0	113	F560 I564 M698 A702	F560-T562 PolarHBondContact O-N 2.88Å; T562-I564 PolarHBondContact O-N 3.48Å; T562-I564 VanDerWaalsContact O-N 3.1Å; T562-M698 HydrophobicContact CG2-CG 4.29Å; T562-A702 HydrophobicContact CG2-CB 4.13Å
563	H	88.7	Confident	93	Very high	151 Å²	151	67.1 Å²	67.1	70%	0.699	33%	0.334	S	S	*	.			trans	-87.4	35.3	-171.4	-60.7	85.5	0	0	0	114	D561 E565	D561-H563 WeakPolarHBondContact OD1-CB 3.5Å; D561-H563 IonicContact OD1-CG 3.2Å; D561-H563 PolarHBondContact OD1-N 3.34Å; D561-H563 IonicContact OD1-ND1 3.05Å; D561-H563 PolarHBondContact OD1-ND1 3.18Å; H563-E565 PolarHBondContact O-N 3.22Å
564	I	90.9	Very high	93.4	Very high	26 Å²	26	58.9 Å²	58.9	13%	0.133	30%	0.299	C	S	.	.			trans	-68.3	116.9	-172.9	-62.5	161.6	0	0	0	110.7	T562 K566 A567 Y613 K695 M698	T562-I564 PolarHBondContact O-N 3.48Å; T562-I564 VanDerWaalsContact O-N 3.1Å; I564-K566 VanDerWaalsContact C-N 3.29Å; I564-K566 WeakPolarHBondContact CG2-O 3.42Å; I564-K566 PolarHBondContact O-N 3.25Å; I564-A567 HydrophobicContact CG2-CB 3.83Å; I564-Y613 HydrophobicContact CD1-CE2 3.71Å; I564-K695 WeakPolarHBondContact O-CE 3.47Å; I564-M698 HydrophobicContact CD1-CE 3.73Å; I564-M698 HydrophobicContact CD1-SD 3.76Å
565	E	93	Very high	93.6	Very high	181 Å²	181	60.1 Å²	60.1	85%	0.846	30%	0.297	S	S	*	.	S	Bend	trans	-59.5	-38.3	-179.3	-63.8	-168.7	154.4	0	0	112.8	H563 L691	H563-E565 PolarHBondContact O-N 3.22Å; E565-L691 WeakPolarHBondContact O-CD2 3.41Å
566	K	95.4	Very high	93.7	Very high	123 Å²	123	60.9 Å²	60.9	54%	0.535	30%	0.303	S	S	.	.	S	Bend	trans	-146.6	122.5	-174.7	-167.9	-178.6	-175.1	-174	0	110.7	I564 Y610	I564-K566 VanDerWaalsContact C-N 3.29Å; I564-K566 WeakPolarHBondContact CG2-O 3.42Å; I564-K566 PolarHBondContact O-N 3.25Å; K566-Y610 HydrophobicContact CD-CD1 3.64Å; K566-Y610 HydrophobicContact CD-CE1 4.27Å; K566-Y610 HydrophobicContact CD-CG 4Å; K566-Y610 VanDerWaalsContact CE-CE1 3.44Å; K566-Y610 HydrophobicContact CG-CD1 4.05Å; K566-Y610 HydrophobicContact CG-CD2 4.46Å; K566-Y610 HydrophobicContact CG-CG 3.9Å; K566-Y610 WeakPolarHBondContact O-CB 3.41Å
567	A	96.9	Very high	93.8	Very high	10 Å²	10	62.8 Å²	62.8	8%	0.083	31%	0.311	C	S	.	.			trans	-158.5	165.5	171.8	0	0	0	0	0	109.6	I564 F569 P611 Y613	I564-A567 HydrophobicContact CG2-CB 3.83Å; A567-F569 HydrophobicContact CB-CD2 4.44Å; A567-F569 HydrophobicContact CB-CE2 3.64Å; A567-F569 HydrophobicContact CB-CZ 3.73Å; A567-P611 WeakPolarHBondContact CA-O 3.42Å; A567-P611 HydrophobicContact CB-CG 4.09Å; A567-Y613 HydrophobicContact CB-CD2 4.04Å; A567-Y613 HydrophobicContact CB-CE2 3.99Å
568	R	97.9	Very high	93.9	Very high	49 Å²	49	61.1 Å²	61.1	19%	0.185	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	148.8	166.1	-72.9	173.1	78.4	172.6	5.9	110.7	F570 E605 Y610 P611 I612 Y613 E688	R568-F570 HydrophobicContact CB-CE2 3.94Å; R568-F570 HydrophobicContact CB-CZ 4.49Å; R568-E605 IonicContact CZ-OE2 3.17Å; R568-E605 IonicContact NH1-OE2 2.74Å; R568-E605 PolarHBondContact NH1-OE2 3.47Å; R568-E605 IonicContact NH2-OE2 3.37Å; R568-Y610 HydrophobicContact CB-CE2 4.39Å; R568-Y610 HydrophobicContact CG-CE2 3.75Å; R568-P611 PolarHBondContact N-O 3.43Å; R568-I612 HydrophobicContact CB-CG1 4.38Å; R568-I612 WeakPolarHBondContact O-CA 3.31Å; R568-Y613 PolarHBondContact O-N 3.33Å; R568-E688 IonicContact CZ-OE1 3.64Å; R568-E688 IonicContact NE-OE1 2.67Å; R568-E688 PolarHBondContact NE-OE1 3.49Å; R568-E688 IonicContact NH2-OE1 2.6Å; R568-E688 PolarHBondContact NH2-OE1 2.92Å; R568-E688 IonicContact NH2-OE2 3.59Å
569	F	98.3	Very high	94.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	127.9	-167.1	-64.4	-87.8	0	0	0	110.5	A567 Y613 F615 E688 L689 L691 M698	A567-F569 HydrophobicContact CB-CD2 4.44Å; A567-F569 HydrophobicContact CB-CE2 3.64Å; A567-F569 HydrophobicContact CB-CZ 3.73Å; F569-Y613 WeakPolarHBondContact CA-O 3.46Å; F569-Y613 HydrophobicContact CD1-CD2 4.19Å; F569-Y613 HydrophobicContact CD1-CG 4.47Å; F569-Y613 AromaticContact CE1-CD2 3.65Å; F569-Y613 HydrophobicContact CE1-CD2 3.65Å; F569-Y613 HydrophobicContact CE1-CG 4.23Å; F569-Y613 HydrophobicContact CZ-CD2 4.13Å; F569-F615 HydrophobicContact CB-CE2 3.95Å; F569-F615 AromaticContact CD1-CE2 3.48Å; F569-F615 HydrophobicContact CD1-CE2 3.48Å; F569-F615 VanDerWaalsContact CD1-CE2 3.48Å; F569-F615 AromaticContact CD1-CZ 3.47Å; F569-F615 HydrophobicContact CD1-CZ 3.47Å; F569-F615 VanDerWaalsContact CD1-CZ 3.47Å; F569-F615 HydrophobicContact CE1-CE2 4.37Å; F569-F615 AromaticContact CE1-CZ 3.94Å; F569-F615 HydrophobicContact CE1-CZ 3.94Å; F569-F615 HydrophobicContact CG-CE2 4.11Å; F569-F615 HydrophobicContact CG-CZ 4.49Å; F569-E688 CarbonylContact O-C 3.48Å; F569-E688 WeakPolarHBondContact O-CA 3.36Å; F569-L689 HydrophobicContact CB-CB 3.96Å; F569-L689 HydrophobicContact CB-CG 4.41Å; F569-L689 PolarHBondContact O-N 3.33Å; F569-L691 HydrophobicContact CE2-CD1 3.83Å; F569-M698 HydrophobicContact CE1-CE 3.81Å; F569-M698 HydrophobicContact CE1-SD 4.41Å; F569-M698 HydrophobicContact CZ-CE 4.39Å
570	F	98.6	Very high	94.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	138.7	179	-59.3	-91.6	0	0	0	111.2	R568 K598 L599 A602 I612 Y613 L614 F615 T687 E688	R568-F570 HydrophobicContact CB-CE2 3.94Å; R568-F570 HydrophobicContact CB-CZ 4.49Å; F570-K598 HydrophobicContact CE1-CD 4.21Å; F570-K598 HydrophobicContact CE1-CG 4.44Å; F570-L599 HydrophobicContact CB-CD2 3.95Å; F570-L599 HydrophobicContact CD1-CD2 3.94Å; F570-L599 HydrophobicContact CD2-CD2 3.66Å; F570-L599 HydrophobicContact CE1-CD2 4.38Å; F570-L599 HydrophobicContact CE2-CD2 4.14Å; F570-L599 HydrophobicContact CG-CD2 3.57Å; F570-L599 HydrophobicContact CZ-CD2 4.48Å; F570-A602 HydrophobicContact CE2-CB 3.85Å; F570-A602 HydrophobicContact CZ-CB 3.57Å; F570-I612 HydrophobicContact CD2-CG2 3.75Å; F570-I612 HydrophobicContact CE2-CG2 3.77Å; F570-Y613 PolarHBondContact N-O 3.5Å; F570-L614 HydrophobicContact CB-CD2 3.9Å; F570-L614 HydrophobicContact CD2-CD2 4.2Å; F570-L614 HydrophobicContact CG-CD2 4.46Å; F570-L614 CarbonylContact O-C 3.6Å; F570-L614 WeakPolarHBondContact O-CA 3.46Å; F570-F615 PolarHBondContact O-N 3.26Å; F570-T687 CarbonylContact C-O 3.56Å; F570-T687 VanDerWaalsContact CA-O 3.31Å; F570-T687 WeakPolarHBondContact CA-O 3.33Å; F570-E688 HydrophobicContact CD1-CB 3.78Å; F570-E688 HydrophobicContact CD1-CG 4.12Å; F570-E688 HydrophobicContact CE1-CB 3.63Å; F570-E688 VanDerWaalsContact CE1-CD 3.4Å; F570-E688 HydrophobicContact CE1-CG 3.64Å; F570-E688 WeakPolarHBondContact CE1-OE2 3.4Å; F570-E688 HydrophobicContact CZ-CB 4.48Å; F570-E688 HydrophobicContact CZ-CG 4.01Å
571	V	98.5	Very high	94.9	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	127.4	169.2	178.6	0	0	0	0	109.3	K573 F615 F624 V680 T686 T687 L689	V571-K573 HydrophobicContact CG1-CD 3.86Å; V571-K573 HydrophobicContact CG1-CG 4.22Å; V571-F615 WeakPolarHBondContact CA-O 3.5Å; V571-F624 HydrophobicContact CG1-CE1 3.85Å; V571-F624 HydrophobicContact CG1-CZ 4.05Å; V571-F624 HydrophobicContact CG2-CE1 4.24Å; V571-F624 HydrophobicContact CG2-CZ 4.4Å; V571-V680 HydrophobicContact CG2-CG2 4.06Å; V571-T686 WeakPolarHBondContact O-CA 3.39Å; V571-T686 PolarHBondContact O-N 3.04Å; V571-T687 PolarHBondContact N-O 3.4Å; V571-L689 HydrophobicContact CG2-CD1 4.06Å; V571-L689 HydrophobicContact CG2-CD2 4Å; V571-L689 HydrophobicContact CG2-CG 4.22Å
572	I	98.6	Very high	95.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.9	176.8	-59.2	-58.1	0	0	0	109.8	W589 L599 L614 F615 F616 S617 D685 T686	I572-W589 HydrophobicContact CG2-CD2 4.43Å; I572-W589 VanDerWaalsContact CG2-CE2 3.48Å; I572-W589 HydrophobicContact CG2-CH2 4.49Å; I572-W589 HydrophobicContact CG2-CZ2 3.52Å; I572-L599 HydrophobicContact CD1-CD1 4.04Å; I572-L614 HydrophobicContact CD1-CD2 4.28Å; I572-L614 HydrophobicContact CG1-CB 3.9Å; I572-L614 HydrophobicContact CG1-CD1 4.44Å; I572-L614 HydrophobicContact CG1-CD2 4.27Å; I572-L614 HydrophobicContact CG1-CG 4.43Å; I572-F615 PolarHBondContact N-O 3.16Å; I572-F616 HydrophobicContact CB-CD1 3.92Å; I572-F616 HydrophobicContact CB-CE1 3.98Å; I572-F616 HydrophobicContact CB-CG 4.31Å; I572-F616 HydrophobicContact CB-CZ 4.38Å; I572-F616 HydrophobicContact CG1-CE1 4.37Å; I572-F616 HydrophobicContact CG1-CZ 4.31Å; I572-F616 HydrophobicContact CG2-CD1 3.68Å; I572-F616 HydrophobicContact CG2-CE1 3.53Å; I572-F616 HydrophobicContact CG2-CZ 4.27Å; I572-S617 PolarHBondContact O-N 3.27Å; I572-D685 WeakPolarHBondContact CA-OD1 3.39Å; I572-T686 HydrophobicContact CD1-CG2 4.11Å
573	K	97.9	Very high	95.5	Very high	25 Å²	25	38.3 Å²	38.3	11%	0.109	18%	0.179	C	C	.	.			trans	-119.3	85.1	-171.7	-67.4	-56.1	-53.3	169.6	0	112	V571 S617 V618 N619 D685	V571-K573 HydrophobicContact CG1-CD 3.86Å; V571-K573 HydrophobicContact CG1-CG 4.22Å; K573-S617 WeakPolarHBondContact CA-O 3.23Å; K573-S617 VanDerWaalsContact CE-O 3.22Å; K573-S617 WeakPolarHBondContact CE-O 3.27Å; K573-S617 VanDerWaalsContact NZ-CB 3.33Å; K573-S617 PolarHBondContact NZ-O 3.05Å; K573-S617 PolarHBondContact NZ-OG 3.36Å; K573-V618 PolarHBondContact NZ-O 3.47Å; K573-N619 WeakPolarHBondContact CE-OD1 3.34Å; K573-N619 PolarHBondContact O-ND2 3.36Å; K573-D685 HydrophobicContact CB-CB 3.98Å; K573-D685 PolarHBondContact N-OD1 3.05Å
574	S	96.5	Very high	95.8	Very high	4 Å²	4	31.2 Å²	31.2	3%	0.028	15%	0.146	C	C	.	.			trans	-65.3	147.9	177.5	-171.2	0	0	0	0	113	S576 S617 N619	S574-S576 PolarHBondContact OG-N 3.5Å; S574-S576 VanDerWaalsContact OG-N 3.16Å; S574-S576 PolarHBondContact OG-O 3.17Å; S574-S617 PolarHBondContact N-O 3.18Å; S574-N619 WeakPolarHBondContact O-CB 3.25Å; S574-N619 PolarHBondContact O-N 3.5Å; S574-N619 PolarHBondContact O-ND2 3.49Å
575	F	92.5	Very high	96	Very high	122 Å²	122	31.3 Å²	31.3	54%	0.535	15%	0.145	S	C	.	.	S	Bend	trans	-88.8	-15	170.1	-73.7	-88.4	0	0	0	113.8	W648	F575-W648 HydrophobicContact CD2-CH2 4.08Å; F575-W648 AromaticContact CD2-CZ2 4Å; F575-W648 HydrophobicContact CD2-CZ2 4Å; F575-W648 HydrophobicContact CE2-CH2 4.12Å; F575-W648 HydrophobicContact CE2-CZ2 4.49Å
576	S	93.5	Very high	96	Very high	29 Å²	29	24.6 Å²	24.6	20%	0.203	11%	0.113	C	C	.	.			trans	-145.8	151.1	174	-166.4	0	0	0	0	112.7	S574 D578 D579	S574-S576 PolarHBondContact OG-N 3.5Å; S574-S576 VanDerWaalsContact OG-N 3.16Å; S574-S576 PolarHBondContact OG-O 3.17Å; S576-D578 WeakPolarHBondContact OG-CB 3.42Å; S576-D578 PolarHBondContact OG-N 2.93Å; S576-D578 VanDerWaalsContact OG-N 3.15Å; S576-D578 PolarHBondContact OG-OD2 2.99Å; S576-D579 PolarHBondContact O-N 3.13Å
577	E	95.4	Very high	96.1	Very high	74 Å²	74	20.1 Å²	20.1	35%	0.346	10%	0.097	S	C	.	.	H	α-helix	trans	-65.4	-27.3	165.6	-71.9	144.8	-163.4	0	0	111.1	D579 I580 H581 V618 I710 Y717	E577-D579 VanDerWaalsContact C-N 3.28Å; E577-D579 PolarHBondContact O-N 3.13Å; E577-I580 WeakPolarHBondContact O-CB 3.17Å; E577-I580 PolarHBondContact O-N 2.95Å; E577-I580 VanDerWaalsContact O-N 3.07Å; E577-H581 PolarHBondContact O-N 2.85Å; E577-V618 HydrophobicContact CG-CG1 4.25Å; E577-V618 HydrophobicContact CG-CG2 3.87Å; E577-I710 HydrophobicContact CB-CD1 4.44Å; E577-Y717 HydrophobicContact CB-CE1 3.91Å; E577-Y717 WeakPolarHBondContact CB-OH 3.35Å; E577-Y717 PolarHBondContact OE2-OH 2.81Å
578	D	94.4	Very high	96	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.016	9%	0.094	C	C	.	.	H	α-helix	trans	-52	-44.8	170.7	-70.5	-71.8	0	0	0	113.2	S576 I580 R582 A644 R720	S576-D578 WeakPolarHBondContact OG-CB 3.42Å; S576-D578 PolarHBondContact OG-N 2.93Å; S576-D578 VanDerWaalsContact OG-N 3.15Å; S576-D578 PolarHBondContact OG-OD2 2.99Å; D578-I580 VanDerWaalsContact C-N 3.35Å; D578-R582 WeakPolarHBondContact O-CB 3.43Å; D578-R582 WeakPolarHBondContact O-CD 3.43Å; D578-R582 WeakPolarHBondContact O-CG 3.44Å; D578-R582 PolarHBondContact O-N 3.2Å; D578-R582 VanDerWaalsContact O-N 3.08Å; D578-R582 PolarHBondContact O-NE 2.93Å; D578-R582 IonicContact OD1-NH2 4Å; D578-R582 PolarHBondContact OD1-NH2 3.22Å; D578-A644 HydrophobicContact CB-CB 3.99Å; D578-R720 VanDerWaalsContact CG-CZ 3.43Å; D578-R720 VanDerWaalsContact CG-NH1 3.3Å; D578-R720 VanDerWaalsContact CG-NH2 3.26Å; D578-R720 IonicContact OD1-CZ 3.9Å; D578-R720 IonicContact OD1-NE 2.83Å; D578-R720 IonicContact OD1-NH1 2.72Å; D578-R720 PolarHBondContact OD1-NH1 3.24Å; D578-R720 VanDerWaalsContact OD1-NH1 3.1Å; D578-R720 IonicContact OD1-NH2 3.07Å; D578-R720 PolarHBondContact OD1-NH2 2.7Å; D578-R720 IonicContact OD2-CZ 3.63Å; D578-R720 IonicContact OD2-NH1 2.6Å; D578-R720 PolarHBondContact OD2-NH1 2.86Å; D578-R720 IonicContact OD2-NH2 2.87Å; D578-R720 PolarHBondContact OD2-NH2 3.16Å
579	D	95.3	Very high	96	Very high	4 Å²	4	18 Å²	18	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-74	-30.1	-178.3	-66.1	-46.9	0	0	0	110.4	S576 E577 S583 W589 W643 A644	S576-D579 PolarHBondContact O-N 3.13Å; E577-D579 VanDerWaalsContact C-N 3.28Å; E577-D579 PolarHBondContact O-N 3.13Å; D579-S583 VanDerWaalsContact O-CB 3.23Å; D579-S583 WeakPolarHBondContact O-CB 3.42Å; D579-S583 PolarHBondContact O-N 2.92Å; D579-W589 HydrophobicContact CB-CH2 4.19Å; D579-W589 HydrophobicContact CB-CZ3 4.22Å; D579-W643 HydrophobicContact CB-CE3 4.27Å; D579-A644 WeakPolarHBondContact OD1-CB 3.46Å; D579-A644 PolarHBondContact OD1-N 2.75Å
580	I	96.6	Very high	95.9	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-67.6	-50	172.8	-56.6	-59.9	0	0	0	110.6	E577 D578 R582 S583 I584 W589 F616 V618 W656 I710	E577-I580 WeakPolarHBondContact O-CB 3.17Å; E577-I580 PolarHBondContact O-N 2.95Å; E577-I580 VanDerWaalsContact O-N 3.07Å; D578-I580 VanDerWaalsContact C-N 3.35Å; I580-R582 VanDerWaalsContact C-N 3.31Å; I580-R582 PolarHBondContact O-N 3.18Å; I580-S583 WeakPolarHBondContact O-CB 3.1Å; I580-S583 PolarHBondContact O-N 3.34Å; I580-S583 VanDerWaalsContact O-N 3.14Å; I580-I584 HydrophobicContact CG2-CD1 3.9Å; I580-I584 WeakPolarHBondContact O-CG1 3.47Å; I580-I584 PolarHBondContact O-N 2.91Å; I580-W589 HydrophobicContact CD1-CH2 4.09Å; I580-W589 HydrophobicContact CD1-CZ3 4.18Å; I580-F616 HydrophobicContact CD1-CB 4.37Å; I580-F616 HydrophobicContact CD1-CD1 3.71Å; I580-F616 HydrophobicContact CD1-CG 4.45Å; I580-V618 HydrophobicContact CD1-CG2 4.44Å; I580-V618 HydrophobicContact CG1-CG2 3.78Å; I580-W656 HydrophobicContact CG2-CH2 3.97Å; I580-W656 HydrophobicContact CG2-CZ2 4.35Å; I580-I710 HydrophobicContact CB-CD1 3.83Å; I580-I710 HydrophobicContact CG2-CD1 3.74Å
581	H	95.2	Very high	95.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-53.8	-49.6	175.3	164.7	-98.9	0	0	0	111.1	E577 S583 I584 K585 I710 F714 Y717 D718 E721	E577-H581 PolarHBondContact O-N 2.85Å; H581-S583 VanDerWaalsContact C-N 3.31Å; H581-S583 PolarHBondContact O-N 3.4Å; H581-I584 PolarHBondContact O-N 2.96Å; H581-K585 VanDerWaalsContact O-CB 3.28Å; H581-K585 WeakPolarHBondContact O-CB 3.46Å; H581-K585 PolarHBondContact O-N 3.45Å; H581-I710 HydrophobicContact CB-CD1 4.05Å; H581-F714 AromaticContact CD2-CD2 3.69Å; H581-F714 AromaticContact CD2-CE2 3.55Å; H581-F714 AromaticContact CD2-CZ 3.72Å; H581-F714 AromaticContact NE2-CD1 3.85Å; H581-F714 AromaticContact NE2-CE1 3.56Å; H581-F714 AromaticContact NE2-CE2 3.96Å; H581-F714 AromaticContact NE2-CZ 3.63Å; H581-Y717 HydrophobicContact CB-CD1 4.45Å; H581-Y717 HydrophobicContact CB-CD2 4.39Å; H581-Y717 HydrophobicContact CB-CG 3.95Å; H581-D718 IonicContact CE1-OD1 2.85Å; H581-D718 IonicContact NE2-OD1 3.26Å; H581-E721 IonicContact CE1-OE2 2.8Å
582	R	94.7	Very high	95.4	Very high	3 Å²	3	21.1 Å²	21.1	1%	0.011	11%	0.106	C	C	.	.	H	α-helix	trans	-67.5	-32.2	-179.1	-65.4	170.5	-136.8	-159.3	-3.6	111.7	D578 I580 Y586 V642 E724	D578-R582 WeakPolarHBondContact O-CB 3.43Å; D578-R582 WeakPolarHBondContact O-CD 3.43Å; D578-R582 WeakPolarHBondContact O-CG 3.44Å; D578-R582 PolarHBondContact O-N 3.2Å; D578-R582 VanDerWaalsContact O-N 3.08Å; D578-R582 PolarHBondContact O-NE 2.93Å; D578-R582 IonicContact OD1-NH2 4Å; D578-R582 PolarHBondContact OD1-NH2 3.22Å; I580-R582 VanDerWaalsContact C-N 3.31Å; I580-R582 PolarHBondContact O-N 3.18Å; R582-Y586 HydrophobicContact CB-CD2 4.17Å; R582-Y586 HydrophobicContact CB-CE2 4.33Å; R582-Y586 HydrophobicContact CG-CE2 4.42Å; R582-Y586 WeakPolarHBondContact O-CB 3.06Å; R582-Y586 WeakPolarHBondContact O-CD2 3.28Å; R582-Y586 PolarHBondContact O-N 3.43Å; R582-V642 WeakPolarHBondContact CD-O 3.4Å; R582-V642 PolarHBondContact NH1-O 3.34Å; R582-E724 IonicContact CZ-OE2 3.37Å; R582-E724 IonicContact NH1-OE2 3.77Å; R582-E724 PolarHBondContact NH1-OE2 3Å; R582-E724 IonicContact NH2-OE2 2.61Å; R582-E724 PolarHBondContact NH2-OE2 2.95Å
583	S	97	Very high	95.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.9	-42.1	171.9	-176	0	0	0	0	113.3	D579 I580 H581 S587 I588 W656	D579-S583 VanDerWaalsContact O-CB 3.23Å; D579-S583 WeakPolarHBondContact O-CB 3.42Å; D579-S583 PolarHBondContact O-N 2.92Å; I580-S583 WeakPolarHBondContact O-CB 3.1Å; I580-S583 PolarHBondContact O-N 3.34Å; I580-S583 VanDerWaalsContact O-N 3.14Å; H581-S583 VanDerWaalsContact C-N 3.31Å; H581-S583 PolarHBondContact O-N 3.4Å; S583-S587 WeakPolarHBondContact O-CA 3.38Å; S583-S587 PolarHBondContact O-N 2.92Å; S583-I588 VanDerWaalsContact CA-O 3.29Å; S583-I588 WeakPolarHBondContact CA-O 3.38Å; S583-I588 VanDerWaalsContact CB-O 3.25Å; S583-I588 WeakPolarHBondContact CB-O 3.46Å; S583-I588 PolarHBondContact O-N 3.13Å; S583-I588 PolarHBondContact OG-O 3.18Å; S583-W656 PolarHBondContact O-NE1 3.14Å; S583-W656 PolarHBondContact OG-NE1 3.49Å; S583-W656 VanDerWaalsContact OG-NE1 3.15Å
584	I	95.7	Very high	95	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-66.2	-51	176.1	-67.4	161.5	0	0	0	109.8	L551 I580 H581 Y586 W656 V659 I710 F711 F714	L551-I584 HydrophobicContact CD1-CG2 3.71Å; I580-I584 HydrophobicContact CG2-CD1 3.9Å; I580-I584 WeakPolarHBondContact O-CG1 3.47Å; I580-I584 PolarHBondContact O-N 2.91Å; H581-I584 PolarHBondContact O-N 2.96Å; I584-Y586 PolarHBondContact O-N 2.9Å; I584-W656 HydrophobicContact CG1-CD2 3.7Å; I584-W656 HydrophobicContact CG1-CE3 4.23Å; I584-W656 HydrophobicContact CG1-CG 4.01Å; I584-W656 HydrophobicContact CG1-CH2 4.34Å; I584-W656 HydrophobicContact CG1-CZ2 3.87Å; I584-V659 HydrophobicContact CD1-CG1 3.73Å; I584-V659 HydrophobicContact CD1-CG2 4.25Å; I584-V659 HydrophobicContact CG1-CG2 4.39Å; I584-I710 HydrophobicContact CD1-CG2 3.5Å; I584-I710 VanDerWaalsContact CD1-CG2 3.5Å; I584-F711 HydrophobicContact CG2-CE1 4.2Å; I584-F711 HydrophobicContact CG2-CZ 4.33Å; I584-F714 HydrophobicContact CG2-CE2 4.17Å
585	K	93.8	Very high	95.1	Very high	27 Å²	27	32.5 Å²	32.5	12%	0.117	16%	0.163	C	C	.	.	H	α-helix	trans	-59.8	-41.5	-177.5	176.9	172	176.9	-176	0	113.7	L547 H581 F714 D718 E721	L547-K585 HydrophobicContact CD2-CB 4.37Å; L547-K585 HydrophobicContact CD2-CG 3.82Å; H581-K585 VanDerWaalsContact O-CB 3.28Å; H581-K585 WeakPolarHBondContact O-CB 3.46Å; H581-K585 PolarHBondContact O-N 3.45Å; K585-F714 HydrophobicContact CB-CZ 4.32Å; K585-D718 WeakPolarHBondContact CE-OD1 3.2Å; K585-D718 IonicContact NZ-OD1 3.28Å; K585-D718 PolarHBondContact NZ-OD1 2.91Å; K585-E721 IonicContact NZ-OE2 3.39Å; K585-E721 PolarHBondContact NZ-OE2 2.99Å
586	Y	93.9	Very high	95.3	Very high	41 Å²	41	26.7 Å²	26.7	16%	0.161	14%	0.137	C	C	.	.	H	α-helix	trans	-107	2.3	-175.9	-57.1	-62.2	0	0	0	114.1	L309 R582 I584 I588 V642 E721	L309-Y586 HydrophobicContact CD2-CE1 4.19Å; R582-Y586 HydrophobicContact CB-CD2 4.17Å; R582-Y586 HydrophobicContact CB-CE2 4.33Å; R582-Y586 HydrophobicContact CG-CE2 4.42Å; R582-Y586 WeakPolarHBondContact O-CB 3.06Å; R582-Y586 WeakPolarHBondContact O-CD2 3.28Å; R582-Y586 PolarHBondContact O-N 3.43Å; I584-Y586 PolarHBondContact O-N 2.9Å; Y586-I588 VanDerWaalsContact C-N 3.31Å; Y586-I588 PolarHBondContact O-N 3.13Å; Y586-V642 HydrophobicContact CD2-CB 4.07Å; Y586-V642 HydrophobicContact CD2-CG1 3.84Å; Y586-V642 HydrophobicContact CD2-CG2 4.16Å; Y586-V642 HydrophobicContact CE2-CB 3.94Å; Y586-V642 HydrophobicContact CE2-CG1 3.63Å; Y586-E721 VanDerWaalsContact CE2-OE1 3.25Å; Y586-E721 WeakPolarHBondContact CE2-OE1 3.26Å; Y586-E721 PolarHBondContact OH-OE1 3.1Å; Y586-E721 PolarHBondContact OH-OE2 3.42Å
587	S	96.1	Very high	95.4	Very high	29 Å²	29	29.9 Å²	29.9	20%	0.203	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	42.3	179.2	-62.6	0	0	0	0	114.3	S583 S653 V654	S583-S587 WeakPolarHBondContact O-CA 3.38Å; S583-S587 PolarHBondContact O-N 2.92Å; S587-S653 CarbonylContact O-C 3.59Å; S587-S653 VanDerWaalsContact O-CA 3.31Å; S587-S653 WeakPolarHBondContact O-CA 3.45Å; S587-V654 CarbonylContact C-O 3.51Å; S587-V654 WeakPolarHBondContact CB-O 3.34Å; S587-V654 PolarHBondContact O-N 2.76Å
588	I	96.6	Very high	95.6	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	160.1	-178.1	53.4	169.2	0	0	0	112.5	S583 Y586 A640 V642 W643 K651 F652	S583-I588 VanDerWaalsContact CA-O 3.29Å; S583-I588 WeakPolarHBondContact CA-O 3.38Å; S583-I588 VanDerWaalsContact CB-O 3.25Å; S583-I588 WeakPolarHBondContact CB-O 3.46Å; S583-I588 PolarHBondContact O-N 3.13Å; S583-I588 PolarHBondContact OG-O 3.18Å; Y586-I588 VanDerWaalsContact C-N 3.31Å; Y586-I588 PolarHBondContact O-N 3.13Å; I588-A640 HydrophobicContact CD1-CB 4.04Å; I588-V642 HydrophobicContact CD1-CG2 4.11Å; I588-W643 HydrophobicContact CD1-CH2 4.19Å; I588-W643 HydrophobicContact CD1-CZ2 4.02Å; I588-W643 HydrophobicContact CG1-CH2 3.97Å; I588-W643 HydrophobicContact CG1-CZ2 4.21Å; I588-K651 HydrophobicContact CB-CD 4.36Å; I588-K651 HydrophobicContact CB-CG 4.05Å; I588-K651 HydrophobicContact CD1-CD 3.91Å; I588-K651 HydrophobicContact CD1-CG 4.19Å; I588-K651 HydrophobicContact CG2-CD 3.88Å; I588-K651 HydrophobicContact CG2-CG 3.91Å; I588-F652 CarbonylContact C-O 3.5Å; I588-F652 VanDerWaalsContact CA-O 3.23Å; I588-F652 WeakPolarHBondContact CA-O 3.28Å
589	W	97.6	Very high	95.7	Very high	11 Å²	11	29.7 Å²	29.7	4%	0.042	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	163.9	168.8	-167	-109.2	0	0	0	112.6	I572 D579 I580 F616 W643 F652 V654	I572-W589 HydrophobicContact CG2-CD2 4.43Å; I572-W589 VanDerWaalsContact CG2-CE2 3.48Å; I572-W589 HydrophobicContact CG2-CH2 4.49Å; I572-W589 HydrophobicContact CG2-CZ2 3.52Å; D579-W589 HydrophobicContact CB-CH2 4.19Å; D579-W589 HydrophobicContact CB-CZ3 4.22Å; I580-W589 HydrophobicContact CD1-CH2 4.09Å; I580-W589 HydrophobicContact CD1-CZ3 4.18Å; W589-F616 AromaticContact CD2-CE1 3.67Å; W589-F616 HydrophobicContact CD2-CE1 3.67Å; W589-F616 HydrophobicContact CD2-CZ 4.24Å; W589-F616 AromaticContact CE2-CE1 3.89Å; W589-F616 AromaticContact CE3-CE1 3.71Å; W589-F616 HydrophobicContact CE3-CE1 3.71Å; W589-F616 HydrophobicContact CE3-CZ 4.44Å; W589-F616 HydrophobicContact CG-CE1 4.23Å; W589-F616 HydrophobicContact CG-CZ 4.36Å; W589-F616 HydrophobicContact CH2-CE1 4.19Å; W589-F616 HydrophobicContact CZ2-CE1 4.15Å; W589-F616 AromaticContact CZ3-CE1 3.97Å; W589-F616 HydrophobicContact CZ3-CE1 3.97Å; W589-W643 HydrophobicContact CE3-CH2 4.31Å; W589-W643 HydrophobicContact CE3-CZ3 4.26Å; W589-W643 HydrophobicContact CZ3-CZ3 4.39Å; W589-F652 HydrophobicContact CB-CD2 4.43Å; W589-F652 HydrophobicContact CB-CE1 4.13Å; W589-F652 HydrophobicContact CB-CE2 3.86Å; W589-F652 HydrophobicContact CB-CZ 3.72Å; W589-F652 AromaticContact CD1-CE1 3.9Å; W589-F652 AromaticContact CD1-CZ 3.57Å; W589-F652 HydrophobicContact CG-CE1 4.43Å; W589-F652 HydrophobicContact CG-CZ 4.03Å; W589-F652 PolarHBondContact N-O 2.99Å; W589-F652 WeakPolarHBondContact O-CD1 3.49Å; W589-F652 PolarHBondContact O-N 2.7Å; W589-F652 VanDerWaalsContact O-N 3.11Å; W589-V654 HydrophobicContact CB-CG1 3.94Å
590	C	95.5	Very high	95.9	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.034	15%	0.151	C	C	.	.			trans	-148.5	129.9	166.2	-172.3	0	0	0	0	109.8	N596 W643 W648 Q649 G650	C590-N596 PolarHBondContact SG-ND2 2.84Å; C590-N596 VanDerWaalsContact SG-ND2 3.39Å; C590-W643 HydrophobicContact CB-CZ2 3.89Å; C590-W648 HydrophobicContact CB-CB 4.37Å; C590-Q649 PolarHBondContact SG-O 2.85Å; C590-G650 WeakPolarHBondContact CB-O 3.35Å; C590-G650 PolarHBondContact SG-O 3.12Å
591	S	94.4	Very high	95.9	Very high	3 Å²	3	34 Å²	34	2%	0.021	17%	0.171	C	C	.	.			trans	-100.4	-173.9	172.2	175.1	0	0	0	0	110.3	G595 N596 D685	S591-G595 WeakPolarHBondContact OG-CA 3.3Å; S591-N596 WeakPolarHBondContact CA-OD1 3.38Å; S591-N596 WeakPolarHBondContact CB-OD1 3.29Å; S591-N596 PolarHBondContact N-OD1 2.89Å; S591-N596 PolarHBondContact O-ND2 3.49Å; S591-N596 VanDerWaalsContact O-ND2 3.14Å; S591-D685 PolarHBondContact OG-OD2 2.94Å
592	T	92.8	Very high	96.1	Very high	56 Å²	56	34 Å²	34	34%	0.344	17%	0.171	S	C	.	.			trans	-54.9	158.5	161.8	63.9	0	0	0	0	111.5	L594 G595 N596 W648	T592-L594 PolarHBondContact O-N 3.03Å; T592-G595 PolarHBondContact O-N 2.69Å; T592-G595 PolarHBondContact OG1-N 2.79Å; T592-G595 VanDerWaalsContact OG1-N 3.12Å; T592-N596 WeakPolarHBondContact O-CB 3.45Å; T592-N596 PolarHBondContact O-N 3.38Å; T592-W648 HydrophobicContact CG2-CH2 4.49Å; T592-W648 HydrophobicContact CG2-CZ3 3.97Å
593	E	93.2	Very high	96.2	Very high	129 Å²	129	34.8 Å²	34.8	60%	0.603	18%	0.175	S	C	*	.	H	α-helix	trans	-54.4	-40.3	177.2	-167.6	-161.9	145.7	0	0	112.9	K597	E593-K597 WeakPolarHBondContact O-CB 3.48Å; E593-K597 VanDerWaalsContact O-CG 3.31Å; E593-K597 WeakPolarHBondContact O-CG 3.31Å; E593-K597 PolarHBondContact O-N 2.98Å; E593-K597 WeakPolarHBondContact OE1-CE 3.38Å; E593-K597 IonicContact OE1-NZ 3.17Å; E593-K597 PolarHBondContact OE1-NZ 3.14Å
594	L	94.8	Very high	96.2	Very high	139 Å²	139	36.3 Å²	36.3	73%	0.728	19%	0.187	S	C	*	.	H	α-helix	trans	-67	-42.2	176.4	179.7	61.8	0	0	0	112.1	T592 K597 K598	T592-L594 PolarHBondContact O-N 3.03Å; L594-K597 PolarHBondContact O-N 2.6Å; L594-K598 PolarHBondContact O-N 2.92Å
595	G	97.2	Very high	96.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.5	-42.4	177.5	0	0	0	0	0	112.6	S591 T592 K597 K598 L599 T686	S591-G595 WeakPolarHBondContact OG-CA 3.3Å; T592-G595 PolarHBondContact O-N 2.69Å; T592-G595 PolarHBondContact OG1-N 2.79Å; T592-G595 VanDerWaalsContact OG1-N 3.12Å; G595-K597 PolarHBondContact O-N 2.86Å; G595-K598 PolarHBondContact O-N 2.77Å; G595-K598 VanDerWaalsContact O-N 3.16Å; G595-L599 WeakPolarHBondContact O-CB 3.49Å; G595-L599 WeakPolarHBondContact O-CG 2.99Å; G595-L599 PolarHBondContact O-N 2.86Å; G595-T686 VanDerWaalsContact CA-CG2 3.48Å
596	N	96.9	Very high	96.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-56.2	-49.1	172.4	-77.2	-15.1	0	0	0	110.9	C590 S591 T592 K598 L599 D600 V634 Y636 Q649	C590-N596 PolarHBondContact SG-ND2 2.84Å; C590-N596 VanDerWaalsContact SG-ND2 3.39Å; S591-N596 WeakPolarHBondContact CA-OD1 3.38Å; S591-N596 WeakPolarHBondContact CB-OD1 3.29Å; S591-N596 PolarHBondContact N-OD1 2.89Å; S591-N596 PolarHBondContact O-ND2 3.49Å; S591-N596 VanDerWaalsContact O-ND2 3.14Å; T592-N596 WeakPolarHBondContact O-CB 3.45Å; T592-N596 PolarHBondContact O-N 3.38Å; N596-K598 VanDerWaalsContact C-N 3.34Å; N596-K598 PolarHBondContact O-N 3.36Å; N596-L599 PolarHBondContact O-N 3.17Å; N596-D600 VanDerWaalsContact O-CB 3.25Å; N596-D600 WeakPolarHBondContact O-CB 3.4Å; N596-D600 PolarHBondContact O-N 3.09Å; N596-V634 HydrophobicContact CB-CG1 4.21Å; N596-Y636 HydrophobicContact CB-CE1 4.15Å; N596-Q649 PolarHBondContact ND2-O 2.83Å; N596-Q649 VanDerWaalsContact ND2-O 3.1Å
597	K	97.2	Very high	96.3	Very high	97 Å²	97	44 Å²	44	42%	0.422	23%	0.23	S	C	.	.	H	α-helix	trans	-56.5	-45.5	174.4	-75.9	168.9	176.2	174	0	112.2	E593 L594 G595 D600 T601 Y636	E593-K597 WeakPolarHBondContact O-CB 3.48Å; E593-K597 VanDerWaalsContact O-CG 3.31Å; E593-K597 WeakPolarHBondContact O-CG 3.31Å; E593-K597 PolarHBondContact O-N 2.98Å; E593-K597 WeakPolarHBondContact OE1-CE 3.38Å; E593-K597 IonicContact OE1-NZ 3.17Å; E593-K597 PolarHBondContact OE1-NZ 3.14Å; L594-K597 PolarHBondContact O-N 2.6Å; G595-K597 PolarHBondContact O-N 2.86Å; K597-D600 PolarHBondContact O-N 3.15Å; K597-T601 WeakPolarHBondContact O-CB 3.35Å; K597-T601 PolarHBondContact O-N 3.33Å; K597-T601 PolarHBondContact O-OG1 2.94Å; K597-T601 VanDerWaalsContact O-OG1 3.09Å; K597-Y636 WeakPolarHBondContact CA-OH 3.49Å; K597-Y636 HydrophobicContact CG-CE1 4.08Å
598	K	97.8	Very high	96.1	Very high	73 Å²	73	50.2 Å²	50.2	32%	0.317	26%	0.255	S	S	.	.	H	α-helix	trans	-63.2	-44.7	179.6	-165.5	-174.8	-177.7	-162.1	0	112.6	F570 L594 G595 N596 A602 T686 E688	F570-K598 HydrophobicContact CE1-CD 4.21Å; F570-K598 HydrophobicContact CE1-CG 4.44Å; L594-K598 PolarHBondContact O-N 2.92Å; G595-K598 PolarHBondContact O-N 2.77Å; G595-K598 VanDerWaalsContact O-N 3.16Å; N596-K598 VanDerWaalsContact C-N 3.34Å; N596-K598 PolarHBondContact O-N 3.36Å; K598-A602 WeakPolarHBondContact O-CB 3.33Å; K598-A602 PolarHBondContact O-N 3.29Å; K598-T686 PolarHBondContact NZ-O 2.85Å; K598-E688 WeakPolarHBondContact CE-OE2 3.49Å; K598-E688 IonicContact NZ-OE2 2.75Å; K598-E688 PolarHBondContact NZ-OE2 3.39Å
599	L	98.3	Very high	96	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-69.1	-39.9	179.8	-68.2	174.8	0	0	0	111.9	F570 I572 G595 N596 A602 F603 L614 M630 F652 T686	F570-L599 HydrophobicContact CB-CD2 3.95Å; F570-L599 HydrophobicContact CD1-CD2 3.94Å; F570-L599 HydrophobicContact CD2-CD2 3.66Å; F570-L599 HydrophobicContact CE1-CD2 4.38Å; F570-L599 HydrophobicContact CE2-CD2 4.14Å; F570-L599 HydrophobicContact CG-CD2 3.57Å; F570-L599 HydrophobicContact CZ-CD2 4.48Å; I572-L599 HydrophobicContact CD1-CD1 4.04Å; G595-L599 WeakPolarHBondContact O-CB 3.49Å; G595-L599 WeakPolarHBondContact O-CG 2.99Å; G595-L599 PolarHBondContact O-N 2.86Å; N596-L599 PolarHBondContact O-N 3.17Å; L599-A602 PolarHBondContact O-N 2.77Å; L599-F603 WeakPolarHBondContact O-CB 3.22Å; L599-F603 PolarHBondContact O-N 3Å; L599-L614 HydrophobicContact CD2-CD2 3.82Å; L599-M630 HydrophobicContact CB-CE 4.1Å; L599-M630 HydrophobicContact CB-SD 3.92Å; L599-F652 HydrophobicContact CD1-CE1 4.02Å; L599-F652 HydrophobicContact CD1-CZ 3.65Å; L599-T686 HydrophobicContact CD1-CG2 3.92Å; L599-T686 HydrophobicContact CD2-CG2 4.45Å; L599-T686 HydrophobicContact CG-CG2 4.01Å
600	D	97.9	Very high	95.9	Very high	24 Å²	24	54.8 Å²	54.8	13%	0.128	29%	0.288	C	S	.	.	H	α-helix	trans	-67	-42.1	176.8	-167.3	48.2	0	0	0	112.2	N596 K597 A602 F603 A604 R633 V634 Y636	N596-D600 VanDerWaalsContact O-CB 3.25Å; N596-D600 WeakPolarHBondContact O-CB 3.4Å; N596-D600 PolarHBondContact O-N 3.09Å; K597-D600 PolarHBondContact O-N 3.15Å; D600-A602 VanDerWaalsContact C-N 3.34Å; D600-F603 PolarHBondContact O-N 2.9Å; D600-A604 WeakPolarHBondContact O-CB 3.21Å; D600-A604 PolarHBondContact O-N 2.74Å; D600-R633 WeakPolarHBondContact OD1-CA 3.43Å; D600-R633 WeakPolarHBondContact OD1-CD 3.45Å; D600-V634 HydrophobicContact CB-CB 4.03Å; D600-V634 HydrophobicContact CB-CG2 3.71Å; D600-V634 PolarHBondContact OD1-N 3.34Å; D600-Y636 WeakPolarHBondContact CB-OH 3.4Å; D600-Y636 WeakPolarHBondContact OD2-CE2 3.46Å; D600-Y636 PolarHBondContact OD2-OH 2.99Å
601	T	98	Very high	96	Very high	71 Å²	71	56.2 Å²	56.2	44%	0.436	30%	0.297	S	S	.	.	H	α-helix	trans	-58.6	-45.5	169.3	-65.7	0	0	0	0	110.9	K597 F603 A604 E605	K597-T601 WeakPolarHBondContact O-CB 3.35Å; K597-T601 PolarHBondContact O-N 3.33Å; K597-T601 PolarHBondContact O-OG1 2.94Å; K597-T601 VanDerWaalsContact O-OG1 3.09Å; T601-F603 PolarHBondContact O-N 2.65Å; T601-A604 WeakPolarHBondContact O-CB 3.19Å; T601-A604 PolarHBondContact O-N 3.36Å; T601-E605 HydrophobicContact CG2-CG 4.32Å; T601-E605 WeakPolarHBondContact CG2-OE1 3.37Å; T601-E605 WeakPolarHBondContact O-CB 3.42Å; T601-E605 WeakPolarHBondContact O-CG 2.95Å; T601-E605 PolarHBondContact O-N 2.82Å
602	A	97.9	Very high	96.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-41.8	178.6	0	0	0	0	0	112.5	F570 K598 L599 D600 A604 E605 A606 I612	F570-A602 HydrophobicContact CE2-CB 3.85Å; F570-A602 HydrophobicContact CZ-CB 3.57Å; K598-A602 WeakPolarHBondContact O-CB 3.33Å; K598-A602 PolarHBondContact O-N 3.29Å; L599-A602 PolarHBondContact O-N 2.77Å; D600-A602 VanDerWaalsContact C-N 3.34Å; A602-A604 VanDerWaalsContact C-N 3.32Å; A602-E605 PolarHBondContact O-N 2.85Å; A602-A606 WeakPolarHBondContact O-CB 3.31Å; A602-A606 PolarHBondContact O-N 2.87Å; A602-I612 HydrophobicContact CB-CD1 3.89Å; A602-I612 WeakPolarHBondContact O-CD1 3.41Å
603	F	98	Very high	96.5	Very high	19 Å²	19	54.4 Å²	54.4	8%	0.083	28%	0.284	C	S	.	.	H	α-helix	trans	-68	-31.5	175.8	-167.3	-85.2	0	0	0	112.1	L599 D600 T601 N607 H608 I612 M630 R633	L599-F603 WeakPolarHBondContact O-CB 3.22Å; L599-F603 PolarHBondContact O-N 3Å; D600-F603 PolarHBondContact O-N 2.9Å; T601-F603 PolarHBondContact O-N 2.65Å; F603-N607 PolarHBondContact O-N 3.37Å; F603-H608 AromaticContact CZ-CE1 3.96Å; F603-I612 VanDerWaalsContact CA-CD1 3.47Å; F603-I612 HydrophobicContact CB-CD1 4.02Å; F603-I612 HydrophobicContact CD2-CD1 4.38Å; F603-I612 VanDerWaalsContact N-CD1 3.34Å; F603-M630 HydrophobicContact CB-CE 3.84Å; F603-M630 HydrophobicContact CB-SD 4.19Å; F603-M630 HydrophobicContact CD2-CB 4.42Å; F603-M630 HydrophobicContact CD2-CE 4.33Å; F603-M630 HydrophobicContact CD2-CG 3.83Å; F603-M630 HydrophobicContact CD2-SD 4.24Å; F603-M630 HydrophobicContact CE2-CG 4.37Å; F603-M630 WeakPolarHBondContact CE2-O 3.34Å; F603-M630 HydrophobicContact CG-CE 4.21Å; F603-R633 HydrophobicContact CD1-CG 3.9Å; F603-R633 HydrophobicContact CE1-CG 4.13Å
604	A	97.5	Very high	96.7	Very high	32 Å²	32	48.2 Å²	48.2	26%	0.264	26%	0.255	S	S	.	.	H	α-helix	trans	-66.6	-46.7	171	0	0	0	0	0	112.5	D600 T601 A602 A606 N607	D600-A604 WeakPolarHBondContact O-CB 3.21Å; D600-A604 PolarHBondContact O-N 2.74Å; T601-A604 WeakPolarHBondContact O-CB 3.19Å; T601-A604 PolarHBondContact O-N 3.36Å; A602-A604 VanDerWaalsContact C-N 3.32Å; A604-A606 PolarHBondContact O-N 3.37Å; A604-N607 PolarHBondContact O-N 3.2Å
605	E	97	Very high	96.9	Very high	113 Å²	113	41.6 Å²	41.6	53%	0.528	22%	0.221	S	C	.	.	H	α-helix	trans	-70.2	-18.2	176.8	-69.5	170	167.8	0	0	113.1	R568 T601 A602 Y610	R568-E605 IonicContact CZ-OE2 3.17Å; R568-E605 IonicContact NH1-OE2 2.74Å; R568-E605 PolarHBondContact NH1-OE2 3.47Å; R568-E605 IonicContact NH2-OE2 3.37Å; T601-E605 HydrophobicContact CG2-CG 4.32Å; T601-E605 WeakPolarHBondContact CG2-OE1 3.37Å; T601-E605 WeakPolarHBondContact O-CB 3.42Å; T601-E605 WeakPolarHBondContact O-CG 2.95Å; T601-E605 PolarHBondContact O-N 2.82Å; A602-E605 PolarHBondContact O-N 2.85Å; E605-Y610 PolarHBondContact O-OH 2.66Å
606	A	95.6	Very high	97	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.033	22%	0.221	C	C	.	.	H	α-helix	trans	-76.4	-40	171	0	0	0	0	0	112.5	A602 A604 H608 A609 Y610 I612	A602-A606 WeakPolarHBondContact O-CB 3.31Å; A602-A606 PolarHBondContact O-N 2.87Å; A604-A606 PolarHBondContact O-N 3.37Å; A606-H608 PolarHBondContact O-N 3.03Å; A606-H608 VanDerWaalsContact O-N 3.09Å; A606-A609 WeakPolarHBondContact O-CB 3.28Å; A606-A609 PolarHBondContact O-N 3.31Å; A606-Y610 VanDerWaalsContact CA-CZ 3.43Å; A606-Y610 HydrophobicContact CB-CD1 4.5Å; A606-Y610 HydrophobicContact CB-CD2 4.11Å; A606-Y610 HydrophobicContact CB-CE1 4.17Å; A606-Y610 HydrophobicContact CB-CE2 3.74Å; A606-Y610 HydrophobicContact CB-CG 4.48Å; A606-Y610 PolarHBondContact N-OH 2.87Å; A606-I612 HydrophobicContact CB-CD1 4.07Å; A606-I612 HydrophobicContact CB-CG1 4.33Å
607	N	92.6	Very high	97	Very high	115 Å²	115	41.7 Å²	41.7	62%	0.615	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.9	42.9	178.3	-164	56.4	0	0	0	113.4	F603 A604 A609	F603-N607 PolarHBondContact O-N 3.37Å; A604-N607 PolarHBondContact O-N 3.2Å; N607-A609 PolarHBondContact O-N 3.34Å
608	H	90.6	Very high	97.1	Very high	159 Å²	159	37.5 Å²	37.5	74%	0.736	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	4.7	-175.5	-51.1	-80.4	0	0	0	116.6	F603 A606	F603-H608 AromaticContact CZ-CE1 3.96Å; A606-H608 PolarHBondContact O-N 3.03Å; A606-H608 VanDerWaalsContact O-N 3.09Å
609	A	95.1	Very high	97	Very high	75 Å²	75	37.4 Å²	37.4	62%	0.62	21%	0.207	S	C	*	.	S	Bend	trans	-83.5	-7.1	179.9	0	0	0	0	0	114.3	A606 N607	A606-A609 WeakPolarHBondContact O-CB 3.28Å; A606-A609 PolarHBondContact O-N 3.31Å; N607-A609 PolarHBondContact O-N 3.34Å
610	Y	96.2	Very high	96.9	Very high	37 Å²	37	41.1 Å²	41.1	15%	0.145	25%	0.245	C	C	.	.	S	Bend	trans	-164.5	152.1	172.2	53.4	-85.8	0	0	0	110.9	K566 R568 E605 A606	K566-Y610 HydrophobicContact CD-CD1 3.64Å; K566-Y610 HydrophobicContact CD-CE1 4.27Å; K566-Y610 HydrophobicContact CD-CG 4Å; K566-Y610 VanDerWaalsContact CE-CE1 3.44Å; K566-Y610 HydrophobicContact CG-CD1 4.05Å; K566-Y610 HydrophobicContact CG-CD2 4.46Å; K566-Y610 HydrophobicContact CG-CG 3.9Å; K566-Y610 WeakPolarHBondContact O-CB 3.41Å; R568-Y610 HydrophobicContact CB-CE2 4.39Å; R568-Y610 HydrophobicContact CG-CE2 3.75Å; E605-Y610 PolarHBondContact O-OH 2.66Å; A606-Y610 VanDerWaalsContact CA-CZ 3.43Å; A606-Y610 HydrophobicContact CB-CD1 4.5Å; A606-Y610 HydrophobicContact CB-CD2 4.11Å; A606-Y610 HydrophobicContact CB-CE1 4.17Å; A606-Y610 HydrophobicContact CB-CE2 3.74Å; A606-Y610 HydrophobicContact CB-CG 4.48Å; A606-Y610 PolarHBondContact N-OH 2.87Å
611	P	97	Very high	96.8	Very high	34 Å²	34	41.7 Å²	41.7	22%	0.221	25%	0.251	C	S	.	.			trans	-76	161.4	-180	30.9	-36.6	0	0	0	113.4	A567 R568 Y613	A567-P611 WeakPolarHBondContact CA-O 3.42Å; A567-P611 HydrophobicContact CB-CG 4.09Å; R568-P611 PolarHBondContact N-O 3.43Å; P611-Y613 HydrophobicContact CB-CE1 4.42Å; P611-Y613 HydrophobicContact CB-CE2 3.77Å; P611-Y613 HydrophobicContact CG-CD2 4.45Å; P611-Y613 HydrophobicContact CG-CE2 3.48Å; P611-Y613 VanDerWaalsContact CG-CE2 3.48Å; P611-Y613 WeakPolarHBondContact CG-OH 3.33Å
612	I	98.2	Very high	96.8	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116.5	172.8	-62.4	-175	0	0	0	109.2	R568 F570 A602 F603 A606 L614 E629 M630	R568-I612 HydrophobicContact CB-CG1 4.38Å; R568-I612 WeakPolarHBondContact O-CA 3.31Å; F570-I612 HydrophobicContact CD2-CG2 3.75Å; F570-I612 HydrophobicContact CE2-CG2 3.77Å; A602-I612 HydrophobicContact CB-CD1 3.89Å; A602-I612 WeakPolarHBondContact O-CD1 3.41Å; F603-I612 VanDerWaalsContact CA-CD1 3.47Å; F603-I612 HydrophobicContact CB-CD1 4.02Å; F603-I612 HydrophobicContact CD2-CD1 4.38Å; F603-I612 VanDerWaalsContact N-CD1 3.34Å; A606-I612 HydrophobicContact CB-CD1 4.07Å; A606-I612 HydrophobicContact CB-CG1 4.33Å; I612-L614 HydrophobicContact CG2-CD2 4.2Å; I612-E629 CarbonylContact O-C 3.57Å; I612-E629 WeakPolarHBondContact O-CA 3.22Å; I612-M630 HydrophobicContact CB-CB 4.21Å; I612-M630 HydrophobicContact CG2-CB 4.19Å; I612-M630 PolarHBondContact O-N 2.93Å
613	Y	98.4	Very high	96.8	Very high	19 Å²	19	41.7 Å²	41.7	8%	0.075	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	140.2	-179.8	-61.1	-71.2	0	0	0	112.2	F560 I564 A567 R568 F569 F570 P611 M627 E629 I657 M698	F560-Y613 HydrophobicContact CZ-CE1 4.4Å; I564-Y613 HydrophobicContact CD1-CE2 3.71Å; A567-Y613 HydrophobicContact CB-CD2 4.04Å; A567-Y613 HydrophobicContact CB-CE2 3.99Å; R568-Y613 PolarHBondContact O-N 3.33Å; F569-Y613 WeakPolarHBondContact CA-O 3.46Å; F569-Y613 HydrophobicContact CD1-CD2 4.19Å; F569-Y613 HydrophobicContact CD1-CG 4.47Å; F569-Y613 AromaticContact CE1-CD2 3.65Å; F569-Y613 HydrophobicContact CE1-CD2 3.65Å; F569-Y613 HydrophobicContact CE1-CG 4.23Å; F569-Y613 HydrophobicContact CZ-CD2 4.13Å; F570-Y613 PolarHBondContact N-O 3.5Å; P611-Y613 HydrophobicContact CB-CE1 4.42Å; P611-Y613 HydrophobicContact CB-CE2 3.77Å; P611-Y613 HydrophobicContact CG-CD2 4.45Å; P611-Y613 HydrophobicContact CG-CE2 3.48Å; P611-Y613 VanDerWaalsContact CG-CE2 3.48Å; P611-Y613 WeakPolarHBondContact CG-OH 3.33Å; Y613-M627 HydrophobicContact CD1-CE 3.94Å; Y613-M627 HydrophobicContact CD1-CG 4.34Å; Y613-M627 HydrophobicContact CD1-SD 3.97Å; Y613-M627 HydrophobicContact CE1-CE 4.2Å; Y613-M627 HydrophobicContact CG-SD 4.18Å; Y613-E629 HydrophobicContact CD1-CB 4.27Å; Y613-E629 HydrophobicContact CE1-CB 4.24Å; Y613-E629 HydrophobicContact CE1-CG 4.47Å; Y613-I657 HydrophobicContact CD1-CD1 4.14Å; Y613-I657 HydrophobicContact CE1-CD1 3.69Å; Y613-M698 HydrophobicContact CD1-CE 4.13Å; Y613-M698 HydrophobicContact CD2-CE 3.55Å; Y613-M698 HydrophobicContact CE1-CE 4.17Å; Y613-M698 HydrophobicContact CE2-CE 3.58Å; Y613-M698 HydrophobicContact CG-CE 3.82Å
614	L	98.7	Very high	96.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	113.7	-175.6	-56.5	-175.2	0	0	0	108.4	F570 I572 L599 I612 F616 M627 A628 M630 F652 V654	F570-L614 HydrophobicContact CB-CD2 3.9Å; F570-L614 HydrophobicContact CD2-CD2 4.2Å; F570-L614 HydrophobicContact CG-CD2 4.46Å; F570-L614 CarbonylContact O-C 3.6Å; F570-L614 WeakPolarHBondContact O-CA 3.46Å; I572-L614 HydrophobicContact CD1-CD2 4.28Å; I572-L614 HydrophobicContact CG1-CB 3.9Å; I572-L614 HydrophobicContact CG1-CD1 4.44Å; I572-L614 HydrophobicContact CG1-CD2 4.27Å; I572-L614 HydrophobicContact CG1-CG 4.43Å; L599-L614 HydrophobicContact CD2-CD2 3.82Å; I612-L614 HydrophobicContact CG2-CD2 4.2Å; L614-F616 HydrophobicContact CB-CD2 4.31Å; L614-F616 HydrophobicContact CB-CE2 3.59Å; L614-F616 HydrophobicContact CB-CZ 4.18Å; L614-F616 HydrophobicContact CD1-CE2 4.5Å; L614-F616 HydrophobicContact CD1-CZ 4.39Å; L614-F616 VanDerWaalsContact O-CD2 3.28Å; L614-F616 WeakPolarHBondContact O-CD2 3.28Å; L614-M627 VanDerWaalsContact O-CA 3.31Å; L614-M627 WeakPolarHBondContact O-CA 3.34Å; L614-A628 PolarHBondContact N-O 3.49Å; L614-A628 PolarHBondContact O-N 2.99Å; L614-M630 HydrophobicContact CD1-CB 4.15Å; L614-M630 HydrophobicContact CG-CB 4.44Å; L614-F652 HydrophobicContact CD1-CE2 3.75Å; L614-F652 HydrophobicContact CD1-CZ 4.14Å; L614-V654 HydrophobicContact CD1-CG1 3.99Å
615	F	98.6	Very high	96.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	112.2	179	-61.3	-56	0	0	0	110.1	F569 F570 V571 I572 F624 M627 L689 G694 V697 M698 L701	F569-F615 HydrophobicContact CB-CE2 3.95Å; F569-F615 AromaticContact CD1-CE2 3.48Å; F569-F615 HydrophobicContact CD1-CE2 3.48Å; F569-F615 VanDerWaalsContact CD1-CE2 3.48Å; F569-F615 AromaticContact CD1-CZ 3.47Å; F569-F615 HydrophobicContact CD1-CZ 3.47Å; F569-F615 VanDerWaalsContact CD1-CZ 3.47Å; F569-F615 HydrophobicContact CE1-CE2 4.37Å; F569-F615 AromaticContact CE1-CZ 3.94Å; F569-F615 HydrophobicContact CE1-CZ 3.94Å; F569-F615 HydrophobicContact CG-CE2 4.11Å; F569-F615 HydrophobicContact CG-CZ 4.49Å; F570-F615 PolarHBondContact O-N 3.26Å; V571-F615 WeakPolarHBondContact CA-O 3.5Å; I572-F615 PolarHBondContact N-O 3.16Å; F615-F624 HydrophobicContact CB-CD1 3.94Å; F615-F624 HydrophobicContact CB-CE1 3.83Å; F615-M627 HydrophobicContact CD1-CB 4.17Å; F615-M627 HydrophobicContact CD1-CG 3.89Å; F615-M627 HydrophobicContact CD1-SD 4.14Å; F615-M627 HydrophobicContact CE1-CB 4.46Å; F615-M627 HydrophobicContact CE1-CG 3.91Å; F615-M627 HydrophobicContact CE1-SD 3.53Å; F615-M627 VanDerWaalsContact CE1-SD 3.53Å; F615-M627 HydrophobicContact CZ-SD 4.43Å; F615-L689 HydrophobicContact CD2-CD1 3.79Å; F615-L689 HydrophobicContact CE2-CD1 3.83Å; F615-G694 WeakPolarHBondContact CZ-O 3.41Å; F615-V697 HydrophobicContact CD1-CG1 3.81Å; F615-V697 HydrophobicContact CD2-CB 4.35Å; F615-V697 HydrophobicContact CD2-CG1 3.79Å; F615-V697 HydrophobicContact CE1-CB 4.35Å; F615-V697 HydrophobicContact CE1-CG1 3.76Å; F615-V697 HydrophobicContact CE2-CB 3.86Å; F615-V697 HydrophobicContact CE2-CG1 3.74Å; F615-V697 HydrophobicContact CG-CG1 3.81Å; F615-V697 HydrophobicContact CZ-CB 3.85Å; F615-V697 HydrophobicContact CZ-CG1 3.72Å; F615-M698 HydrophobicContact CE1-CB 4.3Å; F615-M698 HydrophobicContact CZ-CB 4.14Å; F615-L701 HydrophobicContact CD1-CD1 3.33Å; F615-L701 HydrophobicContact CE1-CD1 3.49Å; F615-L701 VanDerWaalsContact CE1-CD1 3.49Å; F615-L701 HydrophobicContact CG-CD1 4.38Å
616	F	98.7	Very high	96.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	133.5	-172.6	-73.3	-98.9	0	0	0	112.1	I572 I580 W589 L614 F624 C625 G626 A628 W656	I572-F616 HydrophobicContact CB-CD1 3.92Å; I572-F616 HydrophobicContact CB-CE1 3.98Å; I572-F616 HydrophobicContact CB-CG 4.31Å; I572-F616 HydrophobicContact CB-CZ 4.38Å; I572-F616 HydrophobicContact CG1-CE1 4.37Å; I572-F616 HydrophobicContact CG1-CZ 4.31Å; I572-F616 HydrophobicContact CG2-CD1 3.68Å; I572-F616 HydrophobicContact CG2-CE1 3.53Å; I572-F616 HydrophobicContact CG2-CZ 4.27Å; I580-F616 HydrophobicContact CD1-CB 4.37Å; I580-F616 HydrophobicContact CD1-CD1 3.71Å; I580-F616 HydrophobicContact CD1-CG 4.45Å; W589-F616 AromaticContact CD2-CE1 3.67Å; W589-F616 HydrophobicContact CD2-CE1 3.67Å; W589-F616 HydrophobicContact CD2-CZ 4.24Å; W589-F616 AromaticContact CE2-CE1 3.89Å; W589-F616 AromaticContact CE3-CE1 3.71Å; W589-F616 HydrophobicContact CE3-CE1 3.71Å; W589-F616 HydrophobicContact CE3-CZ 4.44Å; W589-F616 HydrophobicContact CG-CE1 4.23Å; W589-F616 HydrophobicContact CG-CZ 4.36Å; W589-F616 HydrophobicContact CH2-CE1 4.19Å; W589-F616 HydrophobicContact CZ2-CE1 4.15Å; W589-F616 AromaticContact CZ3-CE1 3.97Å; W589-F616 HydrophobicContact CZ3-CE1 3.97Å; L614-F616 HydrophobicContact CB-CD2 4.31Å; L614-F616 HydrophobicContact CB-CE2 3.59Å; L614-F616 HydrophobicContact CB-CZ 4.18Å; L614-F616 HydrophobicContact CD1-CE2 4.5Å; L614-F616 HydrophobicContact CD1-CZ 4.39Å; L614-F616 VanDerWaalsContact O-CD2 3.28Å; L614-F616 WeakPolarHBondContact O-CD2 3.28Å; F616-F624 CarbonylContact O-C 3.5Å; F616-F624 VanDerWaalsContact O-CA 3.27Å; F616-F624 WeakPolarHBondContact O-CA 3.25Å; F616-F624 WeakPolarHBondContact O-CB 3.41Å; F616-F624 WeakPolarHBondContact O-CD1 3.49Å; F616-C625 PolarHBondContact O-N 2.95Å; F616-G626 PolarHBondContact N-O 3.42Å; F616-A628 HydrophobicContact CD2-CB 4.48Å; F616-A628 HydrophobicContact CE2-CB 3.73Å; F616-W656 HydrophobicContact CB-CH2 3.8Å; F616-W656 HydrophobicContact CB-CZ3 4.17Å; F616-W656 AromaticContact CD1-CH2 3.73Å; F616-W656 HydrophobicContact CD1-CH2 3.73Å; F616-W656 HydrophobicContact CD1-CZ2 4.07Å; F616-W656 AromaticContact CD2-CH2 3.48Å; F616-W656 HydrophobicContact CD2-CH2 3.48Å; F616-W656 VanDerWaalsContact CD2-CH2 3.48Å; F616-W656 HydrophobicContact CD2-CZ2 4.06Å; F616-W656 AromaticContact CD2-CZ3 3.77Å; F616-W656 HydrophobicContact CD2-CZ3 3.77Å; F616-W656 HydrophobicContact CE1-CH2 4.13Å; F616-W656 HydrophobicContact CE1-CZ2 4.02Å; F616-W656 AromaticContact CE2-CH2 3.93Å; F616-W656 HydrophobicContact CE2-CH2 3.93Å; F616-W656 HydrophobicContact CE2-CZ2 4.03Å; F616-W656 HydrophobicContact CE2-CZ3 4.36Å; F616-W656 AromaticContact CG-CH2 3.38Å; F616-W656 HydrophobicContact CG-CH2 3.38Å; F616-W656 HydrophobicContact CG-CZ2 4.09Å; F616-W656 AromaticContact CG-CZ3 3.99Å; F616-W656 HydrophobicContact CG-CZ3 3.99Å; F616-W656 HydrophobicContact CZ-CH2 4.23Å; F616-W656 HydrophobicContact CZ-CZ2 4.01Å
617	S	98.4	Very high	97	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.014	22%	0.215	C	C	.	.			trans	-150	124.8	174.5	170.8	0	0	0	0	110.1	I572 K573 S574 H623	I572-S617 PolarHBondContact O-N 3.27Å; K573-S617 WeakPolarHBondContact CA-O 3.23Å; K573-S617 VanDerWaalsContact CE-O 3.22Å; K573-S617 WeakPolarHBondContact CE-O 3.27Å; K573-S617 VanDerWaalsContact NZ-CB 3.33Å; K573-S617 PolarHBondContact NZ-O 3.05Å; K573-S617 PolarHBondContact NZ-OG 3.36Å; S574-S617 PolarHBondContact N-O 3.18Å; S617-H623 WeakPolarHBondContact CB-O 3.42Å; S617-H623 PolarHBondContact OG-O 3Å
618	V	97.7	Very high	97.2	Very high	8 Å²	8	28.6 Å²	28.6	5%	0.048	19%	0.186	C	C	.	.			trans	-71.1	148.7	179.4	-179.9	0	0	0	0	110.5	K573 E577 I580 G620	K573-V618 PolarHBondContact NZ-O 3.47Å; E577-V618 HydrophobicContact CG-CG1 4.25Å; E577-V618 HydrophobicContact CG-CG2 3.87Å; I580-V618 HydrophobicContact CD1-CG2 4.44Å; I580-V618 HydrophobicContact CG1-CG2 3.78Å; V618-G620 PolarHBondContact O-N 3.47Å; V618-G620 VanDerWaalsContact O-N 3.14Å
619	N	97	Very high	97.6	Very high	72 Å²	72	22.5 Å²	22.5	39%	0.385	16%	0.158	S	C	.	.	S	Bend	trans	-72.7	103.9	178.1	-75.3	-44.3	0	0	0	110.7	K573 S574	K573-N619 WeakPolarHBondContact CE-OD1 3.34Å; K573-N619 PolarHBondContact O-ND2 3.36Å; S574-N619 WeakPolarHBondContact O-CB 3.25Å; S574-N619 PolarHBondContact O-N 3.5Å; S574-N619 PolarHBondContact O-ND2 3.49Å
620	G	95.9	Very high	97.8	Very high	78 Å²	78	19.1 Å²	19.1	80%	0.804	13%	0.129	S	C	*	.	S	Bend	trans	105.7	-12.3	175.9	0	0	0	0	0	115.5	V618 G622	V618-G620 PolarHBondContact O-N 3.47Å; V618-G620 VanDerWaalsContact O-N 3.14Å; G620-G622 VanDerWaalsContact C-N 3.29Å; G620-G622 PolarHBondContact O-N 2.95Å
621	S	96.1	Very high	97.8	Very high	35 Å²	35	20.3 Å²	20.3	25%	0.245	14%	0.14	C	C	.	.	S	Bend	trans	-71.3	-19.8	-175.9	72.7	0	0	0	0	114.6	H623	S621-H623 VanDerWaalsContact CB-CE1 3.41Å; S621-H623 WeakPolarHBondContact CB-CE1 3.29Å; S621-H623 WeakPolarHBondContact CB-NE2 3.21Å; S621-H623 PolarHBondContact OG-CD2 3.2Å; S621-H623 PolarHBondContact OG-CE1 3.02Å; S621-H623 PolarHBondContact OG-NE2 2.85Å
622	G	97.1	Very high	97.8	Very high	39 Å²	39	20.3 Å²	20.3	40%	0.402	14%	0.141	S	C	.	.	S	Bend	trans	81.6	8.2	177.2	0	0	0	0	0	115.3	G620 N664	G620-G622 VanDerWaalsContact C-N 3.29Å; G620-G622 PolarHBondContact O-N 2.95Å; G622-N664 VanDerWaalsContact C-CG 3.49Å; G622-N664 WeakPolarHBondContact O-CB 3.39Å; G622-N664 PolarHBondContact O-N 3.08Å; G622-N664 PolarHBondContact O-ND2 3.44Å
623	H	97.8	Very high	97.8	Very high	33 Å²	33	26.2 Å²	26.2	15%	0.153	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	171.1	179.4	58.8	-122.3	0	0	0	112.1	S617 S621 D661 V662	S617-H623 WeakPolarHBondContact CB-O 3.42Å; S617-H623 PolarHBondContact OG-O 3Å; S621-H623 VanDerWaalsContact CB-CE1 3.41Å; S621-H623 WeakPolarHBondContact CB-CE1 3.29Å; S621-H623 WeakPolarHBondContact CB-NE2 3.21Å; S621-H623 PolarHBondContact OG-CD2 3.2Å; S621-H623 PolarHBondContact OG-CE1 3.02Å; S621-H623 PolarHBondContact OG-NE2 2.85Å; H623-D661 IonicContact CD2-OD1 3.84Å; H623-D661 IonicContact CE1-OD2 2.66Å; H623-D661 IonicContact NE2-OD1 3.75Å; H623-V662 CarbonylContact C-O 3.57Å; H623-V662 WeakPolarHBondContact CA-O 3.5Å; H623-V662 WeakPolarHBondContact CB-O 3.24Å
624	F	98.4	Very high	97.7	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	137.9	154.2	-77.9	-110.3	0	0	0	108.1	V571 F615 F616 D661 V662 L667 V680 T681	V571-F624 HydrophobicContact CG1-CE1 3.85Å; V571-F624 HydrophobicContact CG1-CZ 4.05Å; V571-F624 HydrophobicContact CG2-CE1 4.24Å; V571-F624 HydrophobicContact CG2-CZ 4.4Å; F615-F624 HydrophobicContact CB-CD1 3.94Å; F615-F624 HydrophobicContact CB-CE1 3.83Å; F616-F624 CarbonylContact O-C 3.5Å; F616-F624 VanDerWaalsContact O-CA 3.27Å; F616-F624 WeakPolarHBondContact O-CA 3.25Å; F616-F624 WeakPolarHBondContact O-CB 3.41Å; F616-F624 WeakPolarHBondContact O-CD1 3.49Å; F624-D661 WeakPolarHBondContact O-CA 3.47Å; F624-V662 PolarHBondContact N-O 3.01Å; F624-V662 PolarHBondContact O-N 3.11Å; F624-L667 HydrophobicContact CB-CD1 4.03Å; F624-L667 HydrophobicContact CD2-CD1 3.38Å; F624-L667 HydrophobicContact CE2-CD1 3.96Å; F624-L667 HydrophobicContact CG-CD1 3.77Å; F624-V680 HydrophobicContact CZ-CG2 4.33Å; F624-T681 HydrophobicContact CE2-CG2 4.28Å
625	C	97.7	Very high	97.5	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.041	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-4.8	-175.1	52.5	0	0	0	0	113.6	F616 K660 D661	F616-C625 PolarHBondContact O-N 2.95Å; C625-K660 CarbonylContact C-O 3.25Å; C625-K660 VanDerWaalsContact C-O 3.25Å; C625-K660 PolarHBondContact O-N 3.24Å; C625-D661 WeakPolarHBondContact CA-OD1 3.27Å; C625-D661 WeakPolarHBondContact CB-OD1 3.29Å
626	G	97.7	Very high	97.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.2	-172	173.3	0	0	0	0	0	116.3	F616 F658	F616-G626 PolarHBondContact N-O 3.42Å; G626-F658 CarbonylContact C-O 3.5Å; G626-F658 WeakPolarHBondContact CA-O 3.47Å
627	M	98.3	Very high	96.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134.4	176.2	-175	179.7	79.1	0	0	109.7	F560 Y613 L614 F615 I657 F658 M698 L701	F560-M627 HydrophobicContact CE1-CE 3.96Å; F560-M627 HydrophobicContact CE2-CE 4.33Å; F560-M627 HydrophobicContact CZ-CE 3.71Å; Y613-M627 HydrophobicContact CD1-CE 3.94Å; Y613-M627 HydrophobicContact CD1-CG 4.34Å; Y613-M627 HydrophobicContact CD1-SD 3.97Å; Y613-M627 HydrophobicContact CE1-CE 4.2Å; Y613-M627 HydrophobicContact CG-SD 4.18Å; L614-M627 VanDerWaalsContact O-CA 3.31Å; L614-M627 WeakPolarHBondContact O-CA 3.34Å; F615-M627 HydrophobicContact CD1-CB 4.17Å; F615-M627 HydrophobicContact CD1-CG 3.89Å; F615-M627 HydrophobicContact CD1-SD 4.14Å; F615-M627 HydrophobicContact CE1-CB 4.46Å; F615-M627 HydrophobicContact CE1-CG 3.91Å; F615-M627 HydrophobicContact CE1-SD 3.53Å; F615-M627 VanDerWaalsContact CE1-SD 3.53Å; F615-M627 HydrophobicContact CZ-SD 4.43Å; M627-I657 HydrophobicContact CE-CB 3.92Å; M627-I657 HydrophobicContact CE-CD1 3.94Å; M627-I657 HydrophobicContact CE-CG2 3.67Å; M627-I657 PolarHBondContact O-N 2.99Å; M627-F658 HydrophobicContact CB-CB 4.09Å; M627-F658 HydrophobicContact CB-CD2 4.01Å; M627-F658 HydrophobicContact CE-CD2 3.64Å; M627-F658 HydrophobicContact CE-CE2 3.73Å; M627-F658 PolarHBondContact N-O 2.96Å; M627-F658 PolarHBondContact O-N 2.92Å; M627-F658 HydrophobicContact SD-CD2 4.25Å; M627-M698 HydrophobicContact CE-CE 3.89Å; M627-M698 HydrophobicContact SD-CE 3.7Å; M627-M698 HydrophobicContact SD-CG 4.37Å; M627-L701 HydrophobicContact CB-CD1 4.28Å
628	A	98.5	Very high	96.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	158.3	166.7	0	0	0	0	0	111	L614 F616 V654 R655 W656	L614-A628 PolarHBondContact N-O 3.49Å; L614-A628 PolarHBondContact O-N 2.99Å; F616-A628 HydrophobicContact CD2-CB 4.48Å; F616-A628 HydrophobicContact CE2-CB 3.73Å; A628-V654 HydrophobicContact CB-CB 4.03Å; A628-V654 HydrophobicContact CB-CG2 4.38Å; A628-R655 CarbonylContact C-O 3.58Å; A628-R655 VanDerWaalsContact CA-O 3.23Å; A628-R655 WeakPolarHBondContact CA-O 3.41Å; A628-R655 WeakPolarHBondContact CB-O 3.23Å; A628-W656 HydrophobicContact CB-CB 4.47Å; A628-W656 HydrophobicContact CB-CD2 3.86Å; A628-W656 HydrophobicContact CB-CE3 4.16Å; A628-W656 HydrophobicContact CB-CG 3.99Å
629	E	98	Very high	95.3	Very high	31 Å²	31	48.6 Å²	48.6	15%	0.145	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	136.5	168.9	179.6	-172.6	-175.7	0	0	109.5	I612 Y613 V631 V654 R655 I657	I612-E629 CarbonylContact O-C 3.57Å; I612-E629 WeakPolarHBondContact O-CA 3.22Å; Y613-E629 HydrophobicContact CD1-CB 4.27Å; Y613-E629 HydrophobicContact CE1-CB 4.24Å; Y613-E629 HydrophobicContact CE1-CG 4.47Å; E629-V631 HydrophobicContact CB-CG1 4.37Å; E629-V631 HydrophobicContact CG-CG1 3.95Å; E629-V654 CarbonylContact O-C 3.54Å; E629-V654 WeakPolarHBondContact O-CA 3.06Å; E629-R655 HydrophobicContact CB-CB 4.42Å; E629-R655 PolarHBondContact N-O 3.36Å; E629-R655 PolarHBondContact O-N 3.28Å; E629-R655 IonicContact OE1-NH2 3.68Å; E629-R655 IonicContact OE2-CZ 2.66Å; E629-R655 IonicContact OE2-NE 3Å; E629-R655 PolarHBondContact OE2-NE 2.92Å; E629-R655 IonicContact OE2-NH2 3.2Å; E629-R655 PolarHBondContact OE2-NH2 3.2Å; E629-I657 HydrophobicContact CB-CD1 3.97Å
630	M	98.3	Very high	94.5	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	121.3	169.2	-177.9	171.6	177.8	0	0	109.1	L599 F603 I612 L614 S632 V634 F652	L599-M630 HydrophobicContact CB-CE 4.1Å; L599-M630 HydrophobicContact CB-SD 3.92Å; F603-M630 HydrophobicContact CB-CE 3.84Å; F603-M630 HydrophobicContact CB-SD 4.19Å; F603-M630 HydrophobicContact CD2-CB 4.42Å; F603-M630 HydrophobicContact CD2-CE 4.33Å; F603-M630 HydrophobicContact CD2-CG 3.83Å; F603-M630 HydrophobicContact CD2-SD 4.24Å; F603-M630 HydrophobicContact CE2-CG 4.37Å; F603-M630 WeakPolarHBondContact CE2-O 3.34Å; F603-M630 HydrophobicContact CG-CE 4.21Å; I612-M630 HydrophobicContact CB-CB 4.21Å; I612-M630 HydrophobicContact CG2-CB 4.19Å; I612-M630 PolarHBondContact O-N 2.93Å; L614-M630 HydrophobicContact CD1-CB 4.15Å; L614-M630 HydrophobicContact CG-CB 4.44Å; M630-S632 WeakPolarHBondContact CE-O 3.4Å; M630-V634 HydrophobicContact CE-CG2 4.07Å; M630-F652 HydrophobicContact CB-CE2 4.45Å; M630-F652 HydrophobicContact CE-CB 4.37Å; M630-F652 HydrophobicContact CE-CD2 4.03Å; M630-F652 HydrophobicContact CE-CE2 4.38Å; M630-F652 HydrophobicContact CE-CG 4.13Å; M630-F652 HydrophobicContact CG-CD2 3.76Å; M630-F652 HydrophobicContact CG-CE2 3.91Å; M630-F652 HydrophobicContact SD-CD2 4.18Å; M630-F652 HydrophobicContact SD-CE2 4.06Å
631	V	97.4	Very high	93.8	Very high	62 Å²	62	47.1 Å²	47.1	38%	0.376	25%	0.252	S	S	.	.			trans	-117.4	3	-173	-59.7	0	0	0	0	114.4	E629 S653 R655	E629-V631 HydrophobicContact CB-CG1 4.37Å; E629-V631 HydrophobicContact CG-CG1 3.95Å; V631-S653 WeakPolarHBondContact CG2-O 3.48Å; V631-S653 PolarHBondContact N-O 3.18Å; V631-R655 HydrophobicContact CG1-CB 3.87Å
632	S	97.3	Very high	93.2	Very high	34 Å²	34	46.7 Å²	46.7	24%	0.238	25%	0.248	C	C	.	.	S	Bend	trans	-143.4	162.6	170.9	79.8	0	0	0	0	112.7	M630 F652 S653	M630-S632 WeakPolarHBondContact CE-O 3.4Å; S632-F652 WeakPolarHBondContact OG-CA 3.46Å; S632-S653 PolarHBondContact OG-N 3.1Å
633	R	97	Very high	92.7	Very high	126 Å²	126	45 Å²	45	48%	0.475	23%	0.23	S	C	.	.			trans	-57.5	165.8	158.1	-68.1	-72.1	-176.6	112.1	9.1	111.5	D600 F603 F652	D600-R633 WeakPolarHBondContact OD1-CA 3.43Å; D600-R633 WeakPolarHBondContact OD1-CD 3.45Å; F603-R633 HydrophobicContact CD1-CG 3.9Å; F603-R633 HydrophobicContact CE1-CG 4.13Å; R633-F652 WeakPolarHBondContact O-CB 3.35Å
634	V	96.7	Very high	91.8	Very high	11 Å²	11	44.8 Å²	44.8	7%	0.067	23%	0.233	C	C	.	.			trans	-86.3	120.6	173.1	-177.2	0	0	0	0	110.9	N596 D600 M630 Y636 F652	N596-V634 HydrophobicContact CB-CG1 4.21Å; D600-V634 HydrophobicContact CB-CB 4.03Å; D600-V634 HydrophobicContact CB-CG2 3.71Å; D600-V634 PolarHBondContact OD1-N 3.34Å; M630-V634 HydrophobicContact CE-CG2 4.07Å; V634-Y636 HydrophobicContact CB-CD2 4.41Å; V634-Y636 HydrophobicContact CB-CE1 4.44Å; V634-Y636 HydrophobicContact CB-CE2 3.95Å; V634-Y636 HydrophobicContact CG1-CD1 4.09Å; V634-Y636 HydrophobicContact CG1-CD2 4.22Å; V634-Y636 HydrophobicContact CG1-CE1 4.02Å; V634-Y636 HydrophobicContact CG1-CE2 4.14Å; V634-Y636 HydrophobicContact CG1-CG 4.2Å; V634-Y636 VanDerWaalsContact O-CD2 3.29Å; V634-Y636 WeakPolarHBondContact O-CD2 3.05Å; V634-Y636 WeakPolarHBondContact O-CE2 3.36Å; V634-Y636 PolarHBondContact O-N 2.96Å; V634-F652 HydrophobicContact CG2-CB 4.12Å; V634-F652 HydrophobicContact CG2-CD1 3.74Å; V634-F652 HydrophobicContact CG2-CE1 4.45Å; V634-F652 HydrophobicContact CG2-CG 4.2Å
635	D	94.9	Very high	90.8	Very high	78 Å²	78	48.8 Å²	48.8	42%	0.417	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-82.7	103.2	161.9	179.5	0.7	0	0	0	109.2	N637 A638 G650 K651	D635-N637 VanDerWaalsContact C-N 3.26Å; D635-N637 PolarHBondContact O-N 3.38Å; D635-N637 WeakPolarHBondContact OD1-CA 3.32Å; D635-N637 WeakPolarHBondContact OD1-CB 3.44Å; D635-N637 PolarHBondContact OD1-N 2.93Å; D635-A638 HydrophobicContact CB-CB 4Å; D635-A638 PolarHBondContact O-N 3.34Å; D635-A638 PolarHBondContact OD1-N 3.08Å; D635-A638 WeakPolarHBondContact OD2-CB 3.31Å; D635-G650 CarbonylContact O-C 3.44Å; D635-G650 WeakPolarHBondContact O-CA 3.48Å; D635-K651 PolarHBondContact N-O 3.11Å; D635-K651 PolarHBondContact O-N 3.49Å
636	Y	93.3	Very high	89.8	Confident	71 Å²	71	54.2 Å²	54.2	28%	0.278	28%	0.281	S	S	.	.	S	Bend	trans	-73.6	-12.3	177.9	-59.6	-92.6	0	0	0	113.9	N596 K597 D600 V634 Q649	N596-Y636 HydrophobicContact CB-CE1 4.15Å; K597-Y636 WeakPolarHBondContact CA-OH 3.49Å; K597-Y636 HydrophobicContact CG-CE1 4.08Å; D600-Y636 WeakPolarHBondContact CB-OH 3.4Å; D600-Y636 WeakPolarHBondContact OD2-CE2 3.46Å; D600-Y636 PolarHBondContact OD2-OH 2.99Å; V634-Y636 HydrophobicContact CB-CD2 4.41Å; V634-Y636 HydrophobicContact CB-CE1 4.44Å; V634-Y636 HydrophobicContact CB-CE2 3.95Å; V634-Y636 HydrophobicContact CG1-CD1 4.09Å; V634-Y636 HydrophobicContact CG1-CD2 4.22Å; V634-Y636 HydrophobicContact CG1-CE1 4.02Å; V634-Y636 HydrophobicContact CG1-CE2 4.14Å; V634-Y636 HydrophobicContact CG1-CG 4.2Å; V634-Y636 VanDerWaalsContact O-CD2 3.29Å; V634-Y636 WeakPolarHBondContact O-CD2 3.05Å; V634-Y636 WeakPolarHBondContact O-CE2 3.36Å; V634-Y636 PolarHBondContact O-N 2.96Å; Y636-Q649 WeakPolarHBondContact O-CG 3.37Å; Y636-Q649 PolarHBondContact O-NE2 3.45Å
637	N	90.1	Very high	88.9	Confident	140 Å²	140	59.8 Å²	59.8	75%	0.749	31%	0.305	S	S	*	.	S	Bend	trans	-89.1	-27.4	176.8	-56.7	-61.6	0	0	0	111.4	D635 R639	D635-N637 VanDerWaalsContact C-N 3.26Å; D635-N637 PolarHBondContact O-N 3.38Å; D635-N637 WeakPolarHBondContact OD1-CA 3.32Å; D635-N637 WeakPolarHBondContact OD1-CB 3.44Å; D635-N637 PolarHBondContact OD1-N 2.93Å; N637-R639 PolarHBondContact O-N 3.18Å
638	A	85.6	Confident	87.8	Confident	19 Å²	19	61.4 Å²	61.4	16%	0.157	31%	0.311	C	S	.	.			trans	-59	131.3	174.1	0	0	0	0	0	112.4	D635 G650 K651	D635-A638 HydrophobicContact CB-CB 4Å; D635-A638 PolarHBondContact O-N 3.34Å; D635-A638 PolarHBondContact OD1-N 3.08Å; D635-A638 WeakPolarHBondContact OD2-CB 3.31Å; A638-G650 CarbonylContact O-C 3.6Å; A638-G650 PolarHBondContact O-N 3.2Å; A638-K651 HydrophobicContact CB-CB 3.52Å
639	R	79.3	Confident	87.1	Confident	181 Å²	181	65.5 Å²	65.5	68%	0.683	33%	0.33	S	S	*	.			trans	-122.7	95.5	165.8	-70.8	-174.7	177.2	136.5	-0.3	108.4	N637 S641 Q649	N637-R639 PolarHBondContact O-N 3.18Å; R639-S641 PolarHBondContact O-N 3.44Å; R639-Q649 HydrophobicContact CG-CG 4.35Å
640	A	80	Confident	86.7	Confident	21 Å²	21	64 Å²	64	17%	0.174	32%	0.323	C	S	.	.			trans	-73.1	114.1	174.8	0	0	0	0	0	109.3	I588 V642 K651	I588-A640 HydrophobicContact CD1-CB 4.04Å; A640-V642 HydrophobicContact CB-CG2 4.16Å; A640-V642 PolarHBondContact O-N 2.98Å; A640-K651 HydrophobicContact CB-CD 4.13Å
641	S	80.6	Confident	86.5	Confident	97 Å²	97	65.5 Å²	65.5	68%	0.678	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	7.1	-179	53.7	0	0	0	0	114.4	R639 R728	R639-S641 PolarHBondContact O-N 3.44Å; S641-R728 PolarHBondContact O-NH1 3.5Å
642	V	82.8	Confident	86.4	Confident	26 Å²	26	62.6 Å²	62.6	16%	0.158	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-30.4	-179.2	-56.5	0	0	0	0	112.8	R582 Y586 I588 A640	R582-V642 WeakPolarHBondContact CD-O 3.4Å; R582-V642 PolarHBondContact NH1-O 3.34Å; Y586-V642 HydrophobicContact CD2-CB 4.07Å; Y586-V642 HydrophobicContact CD2-CG1 3.84Å; Y586-V642 HydrophobicContact CD2-CG2 4.16Å; Y586-V642 HydrophobicContact CE2-CB 3.94Å; Y586-V642 HydrophobicContact CE2-CG1 3.63Å; I588-V642 HydrophobicContact CD1-CG2 4.11Å; A640-V642 HydrophobicContact CB-CG2 4.16Å; A640-V642 PolarHBondContact O-N 2.98Å
643	W	86.4	Confident	86.4	Confident	5 Å²	5	62.9 Å²	62.9	2%	0.019	31%	0.314	C	S	.	.	S	Bend	trans	-58.9	152.5	-172.1	-55.4	124.5	0	0	0	113.2	D579 I588 W589 C590 Q645 W648 R728	D579-W643 HydrophobicContact CB-CE3 4.27Å; I588-W643 HydrophobicContact CD1-CH2 4.19Å; I588-W643 HydrophobicContact CD1-CZ2 4.02Å; I588-W643 HydrophobicContact CG1-CH2 3.97Å; I588-W643 HydrophobicContact CG1-CZ2 4.21Å; W589-W643 HydrophobicContact CE3-CH2 4.31Å; W589-W643 HydrophobicContact CE3-CZ3 4.26Å; W589-W643 HydrophobicContact CZ3-CZ3 4.39Å; C590-W643 HydrophobicContact CB-CZ2 3.89Å; W643-Q645 PolarHBondContact O-N 3.21Å; W643-W648 HydrophobicContact CG-CB 4.36Å; W643-W648 AromaticContact CG-CD1 3.95Å; W643-R728 PolarHBondContact O-NH1 3.28Å; W643-R728 VanDerWaalsContact O-NH1 3.07Å; W643-R728 PolarHBondContact O-NH2 2.89Å
644	A	78.9	Confident	86.5	Confident	27 Å²	27	57 Å²	57	22%	0.223	29%	0.292	C	S	.	.	S	Bend	trans	-63.3	-28.2	179.1	0	0	0	0	0	112.8	D578 D579 R728	D578-A644 HydrophobicContact CB-CB 3.99Å; D579-A644 WeakPolarHBondContact OD1-CB 3.46Å; D579-A644 PolarHBondContact OD1-N 2.75Å; A644-R728 PolarHBondContact O-NH2 3.4Å
645	Q	78.9	Confident	86.5	Confident	87 Å²	87	61.8 Å²	61.8	41%	0.407	31%	0.309	S	S	.	.	S	Bend	trans	-125.9	122.4	176.9	-60.6	177.8	13.5	0	0	110	W643 K647	W643-Q645 PolarHBondContact O-N 3.21Å; Q645-K647 HydrophobicContact CB-CD 4.27Å; Q645-K647 HydrophobicContact CB-CG 4.18Å; Q645-K647 PolarHBondContact O-N 3.29Å; Q645-K647 VanDerWaalsContact OE1-CE 3.22Å
646	D	76	Confident	86.7	Confident	119 Å²	119	58.8 Å²	58.8	64%	0.636	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	17.7	-175.3	-54	-51.8	0	0	0	114.4	R728	D646-R728 IonicContact OD1-CZ 3.34Å; D646-R728 IonicContact OD1-NE 2.75Å; D646-R728 IonicContact OD1-NH1 3.26Å; D646-R728 PolarHBondContact OD1-NH1 2.67Å; D646-R728 IonicContact OD1-NH2 2.85Å; D646-R728 IonicContact OD2-CZ 3.71Å; D646-R728 IonicContact OD2-NE 3.52Å
647	K	78.5	Confident	86.8	Confident	117 Å²	117	56.1 Å²	56.1	51%	0.509	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-17	-179.8	75.6	-175.1	-173.2	-166.8	0	113.9	Q645	Q645-K647 HydrophobicContact CB-CD 4.27Å; Q645-K647 HydrophobicContact CB-CG 4.18Å; Q645-K647 PolarHBondContact O-N 3.29Å; Q645-K647 VanDerWaalsContact OE1-CE 3.22Å
648	W	75.7	Confident	87.2	Confident	35 Å²	35	49.4 Å²	49.4	13%	0.133	25%	0.246	C	C	.	.			trans	-82.3	123.4	-171.1	-57.5	118.8	0	0	0	110.5	F575 C590 T592 W643	F575-W648 HydrophobicContact CD2-CH2 4.08Å; F575-W648 AromaticContact CD2-CZ2 4Å; F575-W648 HydrophobicContact CD2-CZ2 4Å; F575-W648 HydrophobicContact CE2-CH2 4.12Å; F575-W648 HydrophobicContact CE2-CZ2 4.49Å; C590-W648 HydrophobicContact CB-CB 4.37Å; T592-W648 HydrophobicContact CG2-CH2 4.49Å; T592-W648 HydrophobicContact CG2-CZ3 3.97Å; W643-W648 HydrophobicContact CG-CB 4.36Å; W643-W648 AromaticContact CG-CD1 3.95Å
649	Q	83.5	Confident	87.7	Confident	86 Å²	86	48.5 Å²	48.5	40%	0.402	24%	0.239	S	C	.	.			trans	-121.5	132.9	176.9	176.1	171.3	-16.5	0	0	109.5	C590 N596 Y636 R639	C590-Q649 PolarHBondContact SG-O 2.85Å; N596-Q649 PolarHBondContact ND2-O 2.83Å; N596-Q649 VanDerWaalsContact ND2-O 3.1Å; Y636-Q649 WeakPolarHBondContact O-CG 3.37Å; Y636-Q649 PolarHBondContact O-NE2 3.45Å; R639-Q649 HydrophobicContact CG-CG 4.35Å
650	G	88.9	Confident	88.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.209	C	C	.	.			trans	118.5	142.5	-161.2	0	0	0	0	0	110.7	C590 D635 A638	C590-G650 WeakPolarHBondContact CB-O 3.35Å; C590-G650 PolarHBondContact SG-O 3.12Å; D635-G650 CarbonylContact O-C 3.44Å; D635-G650 WeakPolarHBondContact O-CA 3.48Å; A638-G650 CarbonylContact O-C 3.6Å; A638-G650 PolarHBondContact O-N 3.2Å
651	K	93.8	Very high	89.3	Confident	34 Å²	34	41 Å²	41	15%	0.148	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-142.5	136.9	161.6	-165.2	-179.7	98.1	165.8	0	108.8	E312 I588 D635 A638 A640	E312-K651 IonicContact OE1-NZ 2.86Å; E312-K651 PolarHBondContact OE1-NZ 3.07Å; E312-K651 IonicContact OE2-NZ 2.77Å; E312-K651 PolarHBondContact OE2-NZ 2.6Å; I588-K651 HydrophobicContact CB-CD 4.36Å; I588-K651 HydrophobicContact CB-CG 4.05Å; I588-K651 HydrophobicContact CD1-CD 3.91Å; I588-K651 HydrophobicContact CD1-CG 4.19Å; I588-K651 HydrophobicContact CG2-CD 3.88Å; I588-K651 HydrophobicContact CG2-CG 3.91Å; D635-K651 PolarHBondContact N-O 3.11Å; D635-K651 PolarHBondContact O-N 3.49Å; A638-K651 HydrophobicContact CB-CB 3.52Å; A640-K651 HydrophobicContact CB-CD 4.13Å
652	F	97.1	Very high	90.2	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	152.2	162.7	62.2	-90.1	0	0	0	109.8	I588 W589 L599 L614 M630 S632 R633 V634 V654	I588-F652 CarbonylContact C-O 3.5Å; I588-F652 VanDerWaalsContact CA-O 3.23Å; I588-F652 WeakPolarHBondContact CA-O 3.28Å; W589-F652 HydrophobicContact CB-CD2 4.43Å; W589-F652 HydrophobicContact CB-CE1 4.13Å; W589-F652 HydrophobicContact CB-CE2 3.86Å; W589-F652 HydrophobicContact CB-CZ 3.72Å; W589-F652 AromaticContact CD1-CE1 3.9Å; W589-F652 AromaticContact CD1-CZ 3.57Å; W589-F652 HydrophobicContact CG-CE1 4.43Å; W589-F652 HydrophobicContact CG-CZ 4.03Å; W589-F652 PolarHBondContact N-O 2.99Å; W589-F652 WeakPolarHBondContact O-CD1 3.49Å; W589-F652 PolarHBondContact O-N 2.7Å; W589-F652 VanDerWaalsContact O-N 3.11Å; L599-F652 HydrophobicContact CD1-CE1 4.02Å; L599-F652 HydrophobicContact CD1-CZ 3.65Å; L614-F652 HydrophobicContact CD1-CE2 3.75Å; L614-F652 HydrophobicContact CD1-CZ 4.14Å; M630-F652 HydrophobicContact CB-CE2 4.45Å; M630-F652 HydrophobicContact CE-CB 4.37Å; M630-F652 HydrophobicContact CE-CD2 4.03Å; M630-F652 HydrophobicContact CE-CE2 4.38Å; M630-F652 HydrophobicContact CE-CG 4.13Å; M630-F652 HydrophobicContact CG-CD2 3.76Å; M630-F652 HydrophobicContact CG-CE2 3.91Å; M630-F652 HydrophobicContact SD-CD2 4.18Å; M630-F652 HydrophobicContact SD-CE2 4.06Å; S632-F652 WeakPolarHBondContact OG-CA 3.46Å; R633-F652 WeakPolarHBondContact O-CB 3.35Å; V634-F652 HydrophobicContact CG2-CB 4.12Å; V634-F652 HydrophobicContact CG2-CD1 3.74Å; V634-F652 HydrophobicContact CG2-CE1 4.45Å; V634-F652 HydrophobicContact CG2-CG 4.2Å; F652-V654 HydrophobicContact CD2-CG1 3.73Å; F652-V654 HydrophobicContact CE2-CG1 3.48Å; F652-V654 VanDerWaalsContact CE2-CG1 3.48Å
653	S	97.5	Very high	90.9	Very high	39 Å²	39	36.9 Å²	36.9	27%	0.273	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	143.1	178.9	-68.9	0	0	0	0	111.4	S587 V631 S632	S587-S653 CarbonylContact O-C 3.59Å; S587-S653 VanDerWaalsContact O-CA 3.31Å; S587-S653 WeakPolarHBondContact O-CA 3.45Å; V631-S653 WeakPolarHBondContact CG2-O 3.48Å; V631-S653 PolarHBondContact N-O 3.18Å; S632-S653 PolarHBondContact OG-N 3.1Å
654	V	98.1	Very high	91.4	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.1	176.4	-61.6	0	0	0	0	111.1	S587 W589 L614 A628 E629 F652	S587-V654 CarbonylContact C-O 3.51Å; S587-V654 WeakPolarHBondContact CB-O 3.34Å; S587-V654 PolarHBondContact O-N 2.76Å; W589-V654 HydrophobicContact CB-CG1 3.94Å; L614-V654 HydrophobicContact CD1-CG1 3.99Å; A628-V654 HydrophobicContact CB-CB 4.03Å; A628-V654 HydrophobicContact CB-CG2 4.38Å; E629-V654 CarbonylContact O-C 3.54Å; E629-V654 WeakPolarHBondContact O-CA 3.06Å; F652-V654 HydrophobicContact CD2-CG1 3.73Å; F652-V654 HydrophobicContact CE2-CG1 3.48Å; F652-V654 VanDerWaalsContact CE2-CG1 3.48Å
655	R	97.2	Very high	92.3	Very high	112 Å²	112	41.3 Å²	41.3	42%	0.423	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	107.4	172.4	174.1	165.7	68	165.3	-1.5	108.9	A628 E629 V631	A628-R655 CarbonylContact C-O 3.58Å; A628-R655 VanDerWaalsContact CA-O 3.23Å; A628-R655 WeakPolarHBondContact CA-O 3.41Å; A628-R655 WeakPolarHBondContact CB-O 3.23Å; E629-R655 HydrophobicContact CB-CB 4.42Å; E629-R655 PolarHBondContact N-O 3.36Å; E629-R655 PolarHBondContact O-N 3.28Å; E629-R655 IonicContact OE1-NH2 3.68Å; E629-R655 IonicContact OE2-CZ 2.66Å; E629-R655 IonicContact OE2-NE 3Å; E629-R655 PolarHBondContact OE2-NE 2.92Å; E629-R655 IonicContact OE2-NH2 3.2Å; E629-R655 PolarHBondContact OE2-NH2 3.2Å; V631-R655 HydrophobicContact CG1-CB 3.87Å
656	W	97.7	Very high	93.2	Very high	14 Å²	14	38.4 Å²	38.4	5%	0.053	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	134.1	176.3	-75.2	87	0	0	0	111	I580 S583 I584 F616 A628 V659	I580-W656 HydrophobicContact CG2-CH2 3.97Å; I580-W656 HydrophobicContact CG2-CZ2 4.35Å; S583-W656 PolarHBondContact O-NE1 3.14Å; S583-W656 PolarHBondContact OG-NE1 3.49Å; S583-W656 VanDerWaalsContact OG-NE1 3.15Å; I584-W656 HydrophobicContact CG1-CD2 3.7Å; I584-W656 HydrophobicContact CG1-CE3 4.23Å; I584-W656 HydrophobicContact CG1-CG 4.01Å; I584-W656 HydrophobicContact CG1-CH2 4.34Å; I584-W656 HydrophobicContact CG1-CZ2 3.87Å; F616-W656 HydrophobicContact CB-CH2 3.8Å; F616-W656 HydrophobicContact CB-CZ3 4.17Å; F616-W656 AromaticContact CD1-CH2 3.73Å; F616-W656 HydrophobicContact CD1-CH2 3.73Å; F616-W656 HydrophobicContact CD1-CZ2 4.07Å; F616-W656 AromaticContact CD2-CH2 3.48Å; F616-W656 HydrophobicContact CD2-CH2 3.48Å; F616-W656 VanDerWaalsContact CD2-CH2 3.48Å; F616-W656 HydrophobicContact CD2-CZ2 4.06Å; F616-W656 AromaticContact CD2-CZ3 3.77Å; F616-W656 HydrophobicContact CD2-CZ3 3.77Å; F616-W656 HydrophobicContact CE1-CH2 4.13Å; F616-W656 HydrophobicContact CE1-CZ2 4.02Å; F616-W656 AromaticContact CE2-CH2 3.93Å; F616-W656 HydrophobicContact CE2-CH2 3.93Å; F616-W656 HydrophobicContact CE2-CZ2 4.03Å; F616-W656 HydrophobicContact CE2-CZ3 4.36Å; F616-W656 AromaticContact CG-CH2 3.38Å; F616-W656 HydrophobicContact CG-CH2 3.38Å; F616-W656 HydrophobicContact CG-CZ2 4.09Å; F616-W656 AromaticContact CG-CZ3 3.99Å; F616-W656 HydrophobicContact CG-CZ3 3.99Å; F616-W656 HydrophobicContact CZ-CH2 4.23Å; F616-W656 HydrophobicContact CZ-CZ2 4.01Å; A628-W656 HydrophobicContact CB-CB 4.47Å; A628-W656 HydrophobicContact CB-CD2 3.86Å; A628-W656 HydrophobicContact CB-CE3 4.16Å; A628-W656 HydrophobicContact CB-CG 3.99Å; W656-V659 HydrophobicContact CB-CG2 4.06Å; W656-V659 HydrophobicContact CD2-CG2 4.14Å; W656-V659 HydrophobicContact CE3-CG2 3.6Å; W656-V659 HydrophobicContact CG-CG2 4.37Å; W656-V659 HydrophobicContact CZ3-CG2 4.33Å
657	I	96.9	Very high	94.2	Very high	15 Å²	15	32.7 Å²	32.7	8%	0.077	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	-53.5	-176.1	-66.4	166.1	0	0	0	109.6	I555 N556 P557 F560 Y613 M627 E629	I555-I657 CarbonylContact C-O 3.52Å; I555-I657 WeakPolarHBondContact CA-O 3.4Å; N556-I657 PolarHBondContact N-O 3.38Å; P557-I657 WeakPolarHBondContact CD-O 3.34Å; P557-I657 HydrophobicContact CG-CG2 4.32Å; F560-I657 HydrophobicContact CD2-CG2 3.72Å; F560-I657 HydrophobicContact CE2-CD1 4.2Å; F560-I657 HydrophobicContact CE2-CG2 3.53Å; F560-I657 HydrophobicContact CZ-CD1 4.49Å; F560-I657 HydrophobicContact CZ-CG2 4.21Å; Y613-I657 HydrophobicContact CD1-CD1 4.14Å; Y613-I657 HydrophobicContact CE1-CD1 3.69Å; M627-I657 HydrophobicContact CE-CB 3.92Å; M627-I657 HydrophobicContact CE-CD1 3.94Å; M627-I657 HydrophobicContact CE-CG2 3.67Å; M627-I657 PolarHBondContact O-N 2.99Å; E629-I657 HydrophobicContact CB-CD1 3.97Å
658	F	97.2	Very high	95.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.7	171.7	-65.4	-56.6	0	0	0	109.6	N556 F560 G626 M627 K660 L701 A702	N556-F658 WeakPolarHBondContact OD1-CA 3.17Å; F560-F658 HydrophobicContact CB-CE1 4.49Å; F560-F658 HydrophobicContact CB-CZ 3.79Å; F560-F658 AromaticContact CD1-CE2 3.95Å; F560-F658 HydrophobicContact CD1-CE2 3.95Å; F560-F658 AromaticContact CD1-CZ 3.86Å; F560-F658 HydrophobicContact CD1-CZ 3.86Å; F560-F658 HydrophobicContact CD2-CZ 4.43Å; F560-F658 HydrophobicContact CE1-CE2 4.33Å; F560-F658 HydrophobicContact CG-CE2 4.19Å; F560-F658 AromaticContact CG-CZ 3.74Å; F560-F658 HydrophobicContact CG-CZ 3.74Å; G626-F658 CarbonylContact C-O 3.5Å; G626-F658 WeakPolarHBondContact CA-O 3.47Å; M627-F658 HydrophobicContact CB-CB 4.09Å; M627-F658 HydrophobicContact CB-CD2 4.01Å; M627-F658 HydrophobicContact CE-CD2 3.64Å; M627-F658 HydrophobicContact CE-CE2 3.73Å; M627-F658 PolarHBondContact N-O 2.96Å; M627-F658 PolarHBondContact O-N 2.92Å; M627-F658 HydrophobicContact SD-CD2 4.25Å; F658-K660 HydrophobicContact CB-CG 4.36Å; F658-K660 VanDerWaalsContact CD1-CE 3.4Å; F658-L701 HydrophobicContact CD2-CB 4.1Å; F658-A702 HydrophobicContact CE1-CB 4.46Å; F658-A702 HydrophobicContact CE2-CB 4.11Å; F658-A702 HydrophobicContact CZ-CB 3.68Å
659	V	96.9	Very high	96.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	91.1	173.1	-178.4	0	0	0	0	106.7	I555 N556 I584 W656 S709 I710 F711	I555-V659 HydrophobicContact CD1-CB 4.5Å; I555-V659 HydrophobicContact CG2-CG2 4.38Å; N556-V659 PolarHBondContact ND2-O 3.24Å; N556-V659 PolarHBondContact OD1-N 3.5Å; I584-V659 HydrophobicContact CD1-CG1 3.73Å; I584-V659 HydrophobicContact CD1-CG2 4.25Å; I584-V659 HydrophobicContact CG1-CG2 4.39Å; W656-V659 HydrophobicContact CB-CG2 4.06Å; W656-V659 HydrophobicContact CD2-CG2 4.14Å; W656-V659 HydrophobicContact CE3-CG2 3.6Å; W656-V659 HydrophobicContact CG-CG2 4.37Å; W656-V659 HydrophobicContact CZ3-CG2 4.33Å; V659-S709 PolarHBondContact O-OG 3.42Å; V659-I710 HydrophobicContact CG1-CG2 3.69Å; V659-F711 HydrophobicContact CB-CE2 3.57Å; V659-F711 HydrophobicContact CB-CZ 3.93Å; V659-F711 HydrophobicContact CG1-CD2 4.06Å; V659-F711 HydrophobicContact CG1-CE2 3.3Å; V659-F711 HydrophobicContact CG1-CZ 3.59Å; V659-F711 HydrophobicContact CG2-CE2 4.39Å; V659-F711 HydrophobicContact CG2-CZ 4.28Å
660	K	96.2	Very high	96.8	Very high	13 Å²	13	34.8 Å²	34.8	6%	0.057	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	141.8	-171.3	45.1	169.9	148.6	171.1	0	110.8	N556 C625 F658 V662 L701 A702 H706	N556-K660 WeakPolarHBondContact OD1-CE 3.31Å; C625-K660 CarbonylContact C-O 3.25Å; C625-K660 VanDerWaalsContact C-O 3.25Å; C625-K660 PolarHBondContact O-N 3.24Å; F658-K660 HydrophobicContact CB-CG 4.36Å; F658-K660 VanDerWaalsContact CD1-CE 3.4Å; K660-V662 PolarHBondContact O-N 3.1Å; K660-L701 WeakPolarHBondContact CE-O 3.45Å; K660-L701 PolarHBondContact NZ-O 3.14Å; K660-A702 PolarHBondContact NZ-O 3.36Å; K660-H706 HydrophobicContact CB-CB 3.69Å; K660-H706 WeakPolarHBondContact CB-CD2 3.49Å; K660-H706 HydrophobicContact CD-CB 4.35Å
661	D	97.5	Very high	97.2	Very high	30 Å²	30	40.4 Å²	40.4	16%	0.16	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	116.7	-178	-69.5	-14.2	0	0	0	112	H623 F624 C625 Y704 L708	H623-D661 IonicContact CD2-OD1 3.84Å; H623-D661 IonicContact CE1-OD2 2.66Å; H623-D661 IonicContact NE2-OD1 3.75Å; F624-D661 WeakPolarHBondContact O-CA 3.47Å; C625-D661 WeakPolarHBondContact CA-OD1 3.27Å; C625-D661 WeakPolarHBondContact CB-OD1 3.29Å; D661-Y704 WeakPolarHBondContact O-CE1 3.5Å; D661-L708 HydrophobicContact CB-CB 4.44Å; D661-L708 WeakPolarHBondContact CB-O 3.47Å; D661-L708 PolarHBondContact N-O 3.1Å; D661-L708 VanDerWaalsContact N-O 3.07Å
662	V	97.9	Very high	97.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	112.5	176.5	-178.3	0	0	0	0	108.9	H623 F624 K660 A666 L667 V700 L701 Y704	H623-V662 CarbonylContact C-O 3.57Å; H623-V662 WeakPolarHBondContact CA-O 3.5Å; H623-V662 WeakPolarHBondContact CB-O 3.24Å; F624-V662 PolarHBondContact N-O 3.01Å; F624-V662 PolarHBondContact O-N 3.11Å; K660-V662 PolarHBondContact O-N 3.1Å; V662-A666 HydrophobicContact CG1-CB 4.16Å; V662-L667 HydrophobicContact CG1-CD1 4.12Å; V662-L667 HydrophobicContact CG1-CG 4.28Å; V662-V700 HydrophobicContact CG1-CG1 4.05Å; V662-L701 HydrophobicContact CB-CD2 4.16Å; V662-L701 HydrophobicContact CG2-CD2 3.75Å; V662-Y704 HydrophobicContact CB-CD1 4.28Å; V662-Y704 HydrophobicContact CB-CG 4.49Å; V662-Y704 HydrophobicContact CG1-CD1 4.3Å; V662-Y704 HydrophobicContact CG1-CD2 4.32Å; V662-Y704 HydrophobicContact CG1-CG 4.05Å; V662-Y704 HydrophobicContact CG2-CD1 3.68Å; V662-Y704 HydrophobicContact CG2-CE1 4.46Å; V662-Y704 HydrophobicContact CG2-CG 3.97Å
663	P	98	Very high	97.1	Very high	37 Å²	37	43.1 Å²	43.1	24%	0.24	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	147.9	-171.1	29.4	-35.8	0	0	0	111.8	T665 A666 Y704	P663-T665 PolarHBondContact O-N 2.65Å; P663-A666 WeakPolarHBondContact O-CB 3.34Å; P663-A666 PolarHBondContact O-N 2.9Å; P663-Y704 VanDerWaalsContact CD-OH 3.27Å; P663-Y704 WeakPolarHBondContact CD-OH 3.4Å; P663-Y704 HydrophobicContact CG-CE2 4.34Å; P663-Y704 WeakPolarHBondContact CG-OH 3.29Å
664	N	98	Very high	96.8	Very high	37 Å²	37	46.1 Å²	46.1	20%	0.198	22%	0.221	C	C	.	.	H	α-helix	trans	-57.7	-19.6	178.5	-77.8	-14.5	0	0	0	113.1	G622 A666 L667 R668 T681	G622-N664 VanDerWaalsContact C-CG 3.49Å; G622-N664 WeakPolarHBondContact O-CB 3.39Å; G622-N664 PolarHBondContact O-N 3.08Å; G622-N664 PolarHBondContact O-ND2 3.44Å; N664-A666 VanDerWaalsContact C-N 3.3Å; N664-A666 PolarHBondContact O-N 3.12Å; N664-L667 PolarHBondContact O-N 2.81Å; N664-R668 WeakPolarHBondContact O-CB 3.31Å; N664-R668 WeakPolarHBondContact O-CG 3.43Å; N664-R668 PolarHBondContact O-N 3.24Å; N664-T681 HydrophobicContact CB-CG2 3.68Å; N664-T681 WeakPolarHBondContact OD1-CG2 3.43Å
665	T	97.3	Very high	96.5	Very high	88 Å²	88	47.5 Å²	47.5	54%	0.54	23%	0.229	S	C	.	.	H	α-helix	trans	-62.7	-32.2	172.8	45.3	0	0	0	0	113.6	P663 R668	P663-T665 PolarHBondContact O-N 2.65Å; T665-R668 WeakPolarHBondContact O-CG 3.37Å; T665-R668 PolarHBondContact O-NE 2.59Å
666	A	97.4	Very high	96.3	Very high	26 Å²	26	48.4 Å²	48.4	22%	0.215	24%	0.242	C	C	.	.	H	α-helix	trans	-73.1	-47.7	173.6	0	0	0	0	0	110.8	V662 P663 N664 H669 V700	V662-A666 HydrophobicContact CG1-CB 4.16Å; P663-A666 WeakPolarHBondContact O-CB 3.34Å; P663-A666 PolarHBondContact O-N 2.9Å; N664-A666 VanDerWaalsContact C-N 3.3Å; N664-A666 PolarHBondContact O-N 3.12Å; A666-H669 PolarHBondContact O-CE1 3.44Å; A666-H669 VanDerWaalsContact O-CE1 3.27Å; A666-H669 PolarHBondContact O-ND1 3.26Å; A666-V700 HydrophobicContact CB-CG1 4.15Å
667	L	97.8	Very high	96.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-85	-20.8	-170.9	-68.3	166.2	0	0	0	115.2	F624 V662 N664 H669 I670 V680 T681 V697 V700	F624-L667 HydrophobicContact CB-CD1 4.03Å; F624-L667 HydrophobicContact CD2-CD1 3.38Å; F624-L667 HydrophobicContact CE2-CD1 3.96Å; F624-L667 HydrophobicContact CG-CD1 3.77Å; V662-L667 HydrophobicContact CG1-CD1 4.12Å; V662-L667 HydrophobicContact CG1-CG 4.28Å; N664-L667 PolarHBondContact O-N 2.81Å; L667-H669 PolarHBondContact O-N 2.82Å; L667-I670 HydrophobicContact CD2-CD1 3.85Å; L667-I670 PolarHBondContact O-N 3.28Å; L667-V680 HydrophobicContact CB-CG1 4.04Å; L667-V680 WeakPolarHBondContact O-CG1 3.17Å; L667-T681 HydrophobicContact CB-CG2 3.92Å; L667-V697 HydrophobicContact CD2-CB 4.44Å; L667-V697 HydrophobicContact CD2-CG1 4.15Å; L667-V697 HydrophobicContact CD2-CG2 4.38Å; L667-V700 HydrophobicContact CD2-CB 3.81Å; L667-V700 HydrophobicContact CD2-CG1 3.63Å; L667-V700 HydrophobicContact CD2-CG2 4.4Å; L667-V700 HydrophobicContact CG-CG1 4.15Å
668	R	96.4	Very high	96.1	Very high	153 Å²	153	54.6 Å²	54.6	58%	0.577	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-13.9	-175.2	63.3	-178.1	175.4	171.2	5	116.4	N664 T665 T681	N664-R668 WeakPolarHBondContact O-CB 3.31Å; N664-R668 WeakPolarHBondContact O-CG 3.43Å; N664-R668 PolarHBondContact O-N 3.24Å; T665-R668 WeakPolarHBondContact O-CG 3.37Å; T665-R668 PolarHBondContact O-NE 2.59Å; R668-T681 HydrophobicContact CB-CG2 4.35Å
669	H	96.9	Very high	96.2	Very high	126 Å²	126	55.4 Å²	55.4	58%	0.583	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-28.1	177.5	75.2	-90.6	0	0	0	111.8	A666 L667 R671	A666-H669 PolarHBondContact O-CE1 3.44Å; A666-H669 VanDerWaalsContact O-CE1 3.27Å; A666-H669 PolarHBondContact O-ND1 3.26Å; L667-H669 PolarHBondContact O-N 2.82Å; H669-R671 PolarHBondContact O-N 3.07Å
670	I	97.3	Very high	96.2	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	28%	0.279	C	S	.	.			trans	-72.4	123.3	174.9	-52.2	169.8	0	0	0	108	L667 P679 V680 R693 Q696 V697	L667-I670 HydrophobicContact CD2-CD1 3.85Å; L667-I670 PolarHBondContact O-N 3.28Å; I670-P679 CarbonylContact O-C 3.49Å; I670-P679 WeakPolarHBondContact O-CA 3.5Å; I670-V680 HydrophobicContact CB-CG1 3.97Å; I670-V680 HydrophobicContact CG2-CG1 4.4Å; I670-V680 PolarHBondContact O-N 3.17Å; I670-R693 HydrophobicContact CG2-CB 4.37Å; I670-Q696 HydrophobicContact CD1-CB 3.8Å; I670-Q696 HydrophobicContact CG1-CB 4.14Å; I670-Q696 HydrophobicContact CG2-CB 4.29Å; I670-V697 HydrophobicContact CD1-CB 4.45Å; I670-V697 HydrophobicContact CD1-CG2 3.73Å; I670-V697 HydrophobicContact CG2-CG2 4.33Å
671	R	97.3	Very high	96.3	Very high	118 Å²	118	55.9 Å²	55.9	45%	0.445	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	154.2	178.8	-65.5	176.3	173.3	-93.7	2	111	H669 N677 K678 R693	H669-R671 PolarHBondContact O-N 3.07Å; R671-N677 WeakPolarHBondContact CB-OD1 3.42Å; R671-N677 WeakPolarHBondContact CD-O 3.42Å; R671-N677 WeakPolarHBondContact CD-OD1 3.39Å; R671-N677 PolarHBondContact NH1-O 3.15Å; R671-K678 CarbonylContact C-O 3.45Å; R671-K678 VanDerWaalsContact CA-O 3.31Å; R671-K678 WeakPolarHBondContact CA-O 3.19Å; R671-R693 VanDerWaalsContact O-CD 3.28Å; R671-R693 WeakPolarHBondContact O-CD 3.5Å; R671-R693 PolarHBondContact O-NE 3.41Å; R671-R693 VanDerWaalsContact O-NE 3.09Å
672	I	96.4	Very high	96.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	104	-176.1	-52.7	167	0	0	0	109.1	T674 N675 N677 K678 V680 S683 T687 L689	I672-T674 WeakPolarHBondContact CG2-OG1 3.5Å; I672-T674 PolarHBondContact O-N 2.87Å; I672-N675 HydrophobicContact CB-CB 4.03Å; I672-N675 HydrophobicContact CG2-CB 3.82Å; I672-N675 CarbonylContact O-C 3.56Å; I672-N675 PolarHBondContact O-N 2.86Å; I672-N677 VanDerWaalsContact O-CA 3.24Å; I672-N677 WeakPolarHBondContact O-CA 3.23Å; I672-N677 PolarHBondContact O-N 3.29Å; I672-N677 VanDerWaalsContact O-N 3.1Å; I672-K678 PolarHBondContact N-O 2.84Å; I672-V680 HydrophobicContact CD1-CB 4.21Å; I672-V680 HydrophobicContact CD1-CG2 4.24Å; I672-V680 HydrophobicContact CG1-CB 4.33Å; I672-S683 VanDerWaalsContact CD1-OG 3.29Å; I672-S683 WeakPolarHBondContact CD1-OG 3.44Å; I672-T687 HydrophobicContact CD1-CG2 4.14Å; I672-L689 HydrophobicContact CD1-CD2 3.32Å; I672-L689 HydrophobicContact CG1-CD2 3.81Å
673	E	92.7	Very high	96.2	Very high	93 Å²	93	58.8 Å²	58.8	44%	0.435	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-37.1	173.8	43.7	-79	169.6	0	0	113.4	N675 P690 R693	E673-N675 VanDerWaalsContact C-N 3.27Å; E673-N675 PolarHBondContact O-N 2.86Å; E673-P690 HydrophobicContact CG-CG 4.26Å; E673-P690 WeakPolarHBondContact OE1-CG 3.38Å; E673-R693 VanDerWaalsContact OE1-CG 3.31Å; E673-R693 WeakPolarHBondContact OE1-CG 3.32Å; E673-R693 IonicContact OE1-NE 3.74Å; E673-R693 PolarHBondContact OE1-NE 3.45Å; E673-R693 IonicContact OE2-CZ 3.03Å; E673-R693 VanDerWaalsContact OE2-CZ 3.26Å; E673-R693 IonicContact OE2-NE 3.8Å; E673-R693 PolarHBondContact OE2-NE 2.99Å; E673-R693 IonicContact OE2-NH2 3.87Å; E673-R693 PolarHBondContact OE2-NH2 3.36Å
674	T	91.1	Very high	96.1	Very high	101 Å²	101	67 Å²	67	62%	0.62	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-0.3	177.9	54.7	0	0	0	0	115.1	I672 P690	I672-T674 WeakPolarHBondContact CG2-OG1 3.5Å; I672-T674 PolarHBondContact O-N 2.87Å; T674-P690 HydrophobicContact CG2-CG 3.94Å
675	N	91.9	Very high	96.1	Very high	32 Å²	32	67.1 Å²	67.1	17%	0.171	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.1	62.6	-179.5	178.3	20.4	0	0	0	110.4	I672 E673 N677 K678	I672-N675 HydrophobicContact CB-CB 4.03Å; I672-N675 HydrophobicContact CG2-CB 3.82Å; I672-N675 CarbonylContact O-C 3.56Å; I672-N675 PolarHBondContact O-N 2.86Å; E673-N675 VanDerWaalsContact C-N 3.27Å; E673-N675 PolarHBondContact O-N 2.86Å; N675-N677 PolarHBondContact O-N 3.11Å; N675-N677 VanDerWaalsContact O-N 3.1Å; N675-K678 VanDerWaalsContact O-CB 3.29Å; N675-K678 WeakPolarHBondContact O-CB 3.33Å; N675-K678 WeakPolarHBondContact O-CD 3.31Å; N675-K678 VanDerWaalsContact O-CG 3.27Å; N675-K678 WeakPolarHBondContact O-CG 3.43Å; N675-K678 PolarHBondContact O-N 2.92Å; N675-K678 PolarHBondContact OD1-NZ 3.37Å
676	D	93.8	Very high	96.1	Very high	132 Å²	132	63.7 Å²	63.7	71%	0.706	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	30.7	179.3	-48.6	-34	0	0	0	114.5	K678	D676-K678 HydrophobicContact CB-CD 4.42Å; D676-K678 HydrophobicContact CB-CG 4.27Å; D676-K678 PolarHBondContact O-N 3.06Å; D676-K678 VanDerWaalsContact O-N 3.11Å; D676-K678 VanDerWaalsContact OD2-CE 3.31Å; D676-K678 WeakPolarHBondContact OD2-CE 3.41Å; D676-K678 IonicContact OD2-NZ 3.85Å; D676-K678 PolarHBondContact OD2-NZ 2.61Å
677	N	94.2	Very high	96.1	Very high	87 Å²	87	63.5 Å²	63.5	47%	0.465	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	27.2	-174.4	-160.1	11	0	0	0	113.7	R671 I672 N675	R671-N677 WeakPolarHBondContact CB-OD1 3.42Å; R671-N677 WeakPolarHBondContact CD-O 3.42Å; R671-N677 WeakPolarHBondContact CD-OD1 3.39Å; R671-N677 PolarHBondContact NH1-O 3.15Å; I672-N677 VanDerWaalsContact O-CA 3.24Å; I672-N677 WeakPolarHBondContact O-CA 3.23Å; I672-N677 PolarHBondContact O-N 3.29Å; I672-N677 VanDerWaalsContact O-N 3.1Å; N675-N677 PolarHBondContact O-N 3.11Å; N675-N677 VanDerWaalsContact O-N 3.1Å
678	K	96.7	Very high	96.1	Very high	71 Å²	71	65.9 Å²	65.9	31%	0.309	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	152.8	177.1	-67.8	167.5	-166.5	135.8	0	110.8	R671 I672 N675 D676 H682	R671-K678 CarbonylContact C-O 3.45Å; R671-K678 VanDerWaalsContact CA-O 3.31Å; R671-K678 WeakPolarHBondContact CA-O 3.19Å; I672-K678 PolarHBondContact N-O 2.84Å; N675-K678 VanDerWaalsContact O-CB 3.29Å; N675-K678 WeakPolarHBondContact O-CB 3.33Å; N675-K678 WeakPolarHBondContact O-CD 3.31Å; N675-K678 VanDerWaalsContact O-CG 3.27Å; N675-K678 WeakPolarHBondContact O-CG 3.43Å; N675-K678 PolarHBondContact O-N 2.92Å; N675-K678 PolarHBondContact OD1-NZ 3.37Å; D676-K678 HydrophobicContact CB-CD 4.42Å; D676-K678 HydrophobicContact CB-CG 4.27Å; D676-K678 PolarHBondContact O-N 3.06Å; D676-K678 VanDerWaalsContact O-N 3.11Å; D676-K678 VanDerWaalsContact OD2-CE 3.31Å; D676-K678 WeakPolarHBondContact OD2-CE 3.41Å; D676-K678 IonicContact OD2-NZ 3.85Å; D676-K678 PolarHBondContact OD2-NZ 2.61Å; K678-H682 HydrophobicContact CB-CB 4.35Å
679	P	97.5	Very high	96.2	Very high	18 Å²	18	58.9 Å²	58.9	12%	0.117	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	146	167.7	-25.5	35.9	0	0	0	112.1	I670 T681 H682	I670-P679 CarbonylContact O-C 3.49Å; I670-P679 WeakPolarHBondContact O-CA 3.5Å; P679-T681 WeakPolarHBondContact CB-OG1 3.38Å; P679-T681 PolarHBondContact O-N 2.89Å; P679-T681 VanDerWaalsContact O-N 3.13Å; P679-H682 WeakPolarHBondContact O-CB 3.47Å; P679-H682 PolarHBondContact O-N 2.89Å
680	V	97.9	Very high	96.2	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-57.2	-29.5	176	63.9	0	0	0	0	112.9	V571 F624 L667 I670 I672 H682 S683 L689 V697	V571-V680 HydrophobicContact CG2-CG2 4.06Å; F624-V680 HydrophobicContact CZ-CG2 4.33Å; L667-V680 HydrophobicContact CB-CG1 4.04Å; L667-V680 WeakPolarHBondContact O-CG1 3.17Å; I670-V680 HydrophobicContact CB-CG1 3.97Å; I670-V680 HydrophobicContact CG2-CG1 4.4Å; I670-V680 PolarHBondContact O-N 3.17Å; I672-V680 HydrophobicContact CD1-CB 4.21Å; I672-V680 HydrophobicContact CD1-CG2 4.24Å; I672-V680 HydrophobicContact CG1-CB 4.33Å; V680-H682 PolarHBondContact O-N 2.99Å; V680-S683 WeakPolarHBondContact O-CB 3.33Å; V680-S683 PolarHBondContact O-N 2.91Å; V680-S683 VanDerWaalsContact O-N 3.13Å; V680-S683 PolarHBondContact O-OG 2.88Å; V680-L689 HydrophobicContact CG2-CD1 3.83Å; V680-L689 HydrophobicContact CG2-CD2 4.07Å; V680-V697 HydrophobicContact CB-CG2 4.46Å; V680-V697 HydrophobicContact CG1-CG2 4.18Å; V680-V697 HydrophobicContact CG2-CG2 3.97Å
681	T	97.7	Very high	96.1	Very high	21 Å²	21	57.2 Å²	57.2	13%	0.129	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-66	-13.9	175.6	61.2	0	0	0	0	114.1	F624 N664 L667 R668 P679	F624-T681 HydrophobicContact CE2-CG2 4.28Å; N664-T681 HydrophobicContact CB-CG2 3.68Å; N664-T681 WeakPolarHBondContact OD1-CG2 3.43Å; L667-T681 HydrophobicContact CB-CG2 3.92Å; R668-T681 HydrophobicContact CB-CG2 4.35Å; P679-T681 WeakPolarHBondContact CB-OG1 3.38Å; P679-T681 PolarHBondContact O-N 2.89Å; P679-T681 VanDerWaalsContact O-N 3.13Å
682	H	96.6	Very high	96.1	Very high	82 Å²	82	56.5 Å²	56.5	38%	0.38	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-99.4	11.7	175.8	-67.1	-171.9	0	0	0	113	K678 P679 V680	K678-H682 HydrophobicContact CB-CB 4.35Å; P679-H682 WeakPolarHBondContact O-CB 3.47Å; P679-H682 PolarHBondContact O-N 2.89Å; V680-H682 PolarHBondContact O-N 2.99Å
683	S	97.3	Very high	96.1	Very high	10 Å²	10	59.6 Å²	59.6	7%	0.07	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-65.7	147	177.5	-63.2	0	0	0	0	113.1	I672 V680	I672-S683 VanDerWaalsContact CD1-OG 3.29Å; I672-S683 WeakPolarHBondContact CD1-OG 3.44Å; V680-S683 WeakPolarHBondContact O-CB 3.33Å; V680-S683 PolarHBondContact O-N 2.91Å; V680-S683 VanDerWaalsContact O-N 3.13Å; V680-S683 PolarHBondContact O-OG 2.88Å
684	R	96.7	Very high	96.3	Very high	209 Å²	209	55.1 Å²	55.1	79%	0.789	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-89	170.5	167.4	-69.3	179.6	173.4	165.1	-3	110.7	T686 T687	R684-T686 PolarHBondContact O-N 3.22Å; R684-T687 WeakPolarHBondContact CA-OG1 3.45Å; R684-T687 PolarHBondContact N-OG1 2.92Å; R684-T687 WeakPolarHBondContact O-CB 3.39Å; R684-T687 PolarHBondContact O-N 3.21Å; R684-T687 VanDerWaalsContact O-N 3.12Å; R684-T687 PolarHBondContact O-OG1 2.99Å
685	D	97.7	Very high	96.6	Very high	40 Å²	40	52.5 Å²	52.5	21%	0.214	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	134.4	174.6	-161.4	40.2	0	0	0	111.6	I572 K573 S591 T687	I572-D685 WeakPolarHBondContact CA-OD1 3.39Å; K573-D685 HydrophobicContact CB-CB 3.98Å; K573-D685 PolarHBondContact N-OD1 3.05Å; S591-D685 PolarHBondContact OG-OD2 2.94Å; D685-T687 PolarHBondContact O-N 3.4Å
686	T	97.4	Very high	96.9	Very high	15 Å²	15	54.2 Å²	54.2	9%	0.092	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	23.3	-174.6	69.6	0	0	0	0	116	V571 I572 G595 K598 L599 R684 E688	V571-T686 WeakPolarHBondContact O-CA 3.39Å; V571-T686 PolarHBondContact O-N 3.04Å; I572-T686 HydrophobicContact CD1-CG2 4.11Å; G595-T686 VanDerWaalsContact CA-CG2 3.48Å; K598-T686 PolarHBondContact NZ-O 2.85Å; L599-T686 HydrophobicContact CD1-CG2 3.92Å; L599-T686 HydrophobicContact CD2-CG2 4.45Å; L599-T686 HydrophobicContact CG-CG2 4.01Å; R684-T686 PolarHBondContact O-N 3.22Å; T686-E688 PolarHBondContact O-N 3.2Å
687	T	97.7	Very high	97.1	Very high	22 Å²	22	48 Å²	48	14%	0.135	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	128.1	164.4	-56.6	0	0	0	0	108.6	F570 V571 I672 R684 D685 L689	F570-T687 CarbonylContact C-O 3.56Å; F570-T687 VanDerWaalsContact CA-O 3.31Å; F570-T687 WeakPolarHBondContact CA-O 3.33Å; V571-T687 PolarHBondContact N-O 3.4Å; I672-T687 HydrophobicContact CD1-CG2 4.14Å; R684-T687 WeakPolarHBondContact CA-OG1 3.45Å; R684-T687 PolarHBondContact N-OG1 2.92Å; R684-T687 WeakPolarHBondContact O-CB 3.39Å; R684-T687 PolarHBondContact O-N 3.21Å; R684-T687 VanDerWaalsContact O-N 3.12Å; R684-T687 PolarHBondContact O-OG1 2.99Å; D685-T687 PolarHBondContact O-N 3.4Å; T687-L689 HydrophobicContact CG2-CD2 4.47Å
688	E	97.8	Very high	97.2	Very high	51 Å²	51	43.8 Å²	43.8	24%	0.238	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	135.4	-177.8	-178.2	164.9	-167.1	0	0	110.3	R568 F569 F570 K598 T686	R568-E688 IonicContact CZ-OE1 3.64Å; R568-E688 IonicContact NE-OE1 2.67Å; R568-E688 PolarHBondContact NE-OE1 3.49Å; R568-E688 IonicContact NH2-OE1 2.6Å; R568-E688 PolarHBondContact NH2-OE1 2.92Å; R568-E688 IonicContact NH2-OE2 3.59Å; F569-E688 CarbonylContact O-C 3.48Å; F569-E688 WeakPolarHBondContact O-CA 3.36Å; F570-E688 HydrophobicContact CD1-CB 3.78Å; F570-E688 HydrophobicContact CD1-CG 4.12Å; F570-E688 HydrophobicContact CE1-CB 3.63Å; F570-E688 VanDerWaalsContact CE1-CD 3.4Å; F570-E688 HydrophobicContact CE1-CG 3.64Å; F570-E688 WeakPolarHBondContact CE1-OE2 3.4Å; F570-E688 HydrophobicContact CZ-CB 4.48Å; F570-E688 HydrophobicContact CZ-CG 4.01Å; K598-E688 WeakPolarHBondContact CE-OE2 3.49Å; K598-E688 IonicContact NZ-OE2 2.75Å; K598-E688 PolarHBondContact NZ-OE2 3.39Å; T686-E688 PolarHBondContact O-N 3.2Å
689	L	97.7	Very high	97.2	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.9	-178.6	-47.2	-172.4	0	0	0	109.1	F569 V571 F615 I672 V680 T687 R693 V697	F569-L689 HydrophobicContact CB-CB 3.96Å; F569-L689 HydrophobicContact CB-CG 4.41Å; F569-L689 PolarHBondContact O-N 3.33Å; V571-L689 HydrophobicContact CG2-CD1 4.06Å; V571-L689 HydrophobicContact CG2-CD2 4Å; V571-L689 HydrophobicContact CG2-CG 4.22Å; F615-L689 HydrophobicContact CD2-CD1 3.79Å; F615-L689 HydrophobicContact CE2-CD1 3.83Å; I672-L689 HydrophobicContact CD1-CD2 3.32Å; I672-L689 HydrophobicContact CG1-CD2 3.81Å; V680-L689 HydrophobicContact CG2-CD1 3.83Å; V680-L689 HydrophobicContact CG2-CD2 4.07Å; T687-L689 HydrophobicContact CG2-CD2 4.47Å; L689-R693 HydrophobicContact CB-CB 4.29Å; L689-V697 HydrophobicContact CD1-CG2 4.03Å
690	P	96.5	Very high	97.1	Very high	38 Å²	38	45.8 Å²	45.8	25%	0.247	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-54.9	148.5	167.2	-26.9	37.6	0	0	0	111.3	E673 T674 E692 R693 G694	E673-P690 HydrophobicContact CG-CG 4.26Å; E673-P690 WeakPolarHBondContact OE1-CG 3.38Å; T674-P690 HydrophobicContact CG2-CG 3.94Å; P690-E692 VanDerWaalsContact C-N 3.31Å; P690-E692 PolarHBondContact O-N 2.98Å; P690-E692 VanDerWaalsContact O-N 3.15Å; P690-R693 HydrophobicContact CB-CG 4.32Å; P690-R693 HydrophobicContact CG-CG 4.48Å; P690-R693 WeakPolarHBondContact O-CA 3.12Å; P690-R693 WeakPolarHBondContact O-CB 3.33Å; P690-R693 PolarHBondContact O-N 3.44Å; P690-G694 PolarHBondContact O-N 2.88Å
691	L	96	Very high	97.1	Very high	54 Å²	54	45.8 Å²	45.8	28%	0.283	21%	0.214	S	C	.	.	H	α-helix	trans	-43.9	-51.3	-173.3	176.6	58.8	0	0	0	113.4	E565 F569 R693 G694 K695	E565-L691 WeakPolarHBondContact O-CD2 3.41Å; F569-L691 HydrophobicContact CE2-CD1 3.83Å; L691-R693 VanDerWaalsContact C-N 3.31Å; L691-R693 PolarHBondContact O-N 2.95Å; L691-G694 WeakPolarHBondContact O-CA 3.43Å; L691-G694 PolarHBondContact O-N 3.35Å; L691-G694 VanDerWaalsContact O-N 3.14Å; L691-K695 WeakPolarHBondContact O-CG 3.46Å; L691-K695 PolarHBondContact O-N 2.9Å
692	E	96.1	Very high	96.9	Very high	103 Å²	103	46 Å²	46	48%	0.481	22%	0.219	S	C	.	.	H	α-helix	trans	-67.9	-27.5	-178.7	-54.7	-48	117.5	0	0	113.5	P690 K695 Q696	P690-E692 VanDerWaalsContact C-N 3.31Å; P690-E692 PolarHBondContact O-N 2.98Å; P690-E692 VanDerWaalsContact O-N 3.15Å; E692-K695 IonicContact OE1-NZ 2.72Å; E692-K695 PolarHBondContact OE1-NZ 2.94Å; E692-K695 IonicContact OE2-NZ 4Å; E692-K695 PolarHBondContact OE2-NZ 3.49Å; E692-Q696 VanDerWaalsContact O-CG 3.26Å; E692-Q696 WeakPolarHBondContact O-CG 3.43Å; E692-Q696 PolarHBondContact O-N 3.43Å
693	R	97	Very high	96.8	Very high	65 Å²	65	46.9 Å²	46.9	25%	0.245	23%	0.23	C	C	.	.	H	α-helix	trans	-77.4	-34.9	172.2	-53.8	-51.3	-175.4	-178.2	4.8	111.7	I670 R671 E673 L689 P690 L691 Q696 V697	I670-R693 HydrophobicContact CG2-CB 4.37Å; R671-R693 VanDerWaalsContact O-CD 3.28Å; R671-R693 WeakPolarHBondContact O-CD 3.5Å; R671-R693 PolarHBondContact O-NE 3.41Å; R671-R693 VanDerWaalsContact O-NE 3.09Å; E673-R693 VanDerWaalsContact OE1-CG 3.31Å; E673-R693 WeakPolarHBondContact OE1-CG 3.32Å; E673-R693 IonicContact OE1-NE 3.74Å; E673-R693 PolarHBondContact OE1-NE 3.45Å; E673-R693 IonicContact OE2-CZ 3.03Å; E673-R693 VanDerWaalsContact OE2-CZ 3.26Å; E673-R693 IonicContact OE2-NE 3.8Å; E673-R693 PolarHBondContact OE2-NE 2.99Å; E673-R693 IonicContact OE2-NH2 3.87Å; E673-R693 PolarHBondContact OE2-NH2 3.36Å; L689-R693 HydrophobicContact CB-CB 4.29Å; P690-R693 HydrophobicContact CB-CG 4.32Å; P690-R693 HydrophobicContact CG-CG 4.48Å; P690-R693 WeakPolarHBondContact O-CA 3.12Å; P690-R693 WeakPolarHBondContact O-CB 3.33Å; P690-R693 PolarHBondContact O-N 3.44Å; L691-R693 VanDerWaalsContact C-N 3.31Å; L691-R693 PolarHBondContact O-N 2.95Å; R693-Q696 PolarHBondContact O-N 2.92Å; R693-V697 WeakPolarHBondContact O-CG2 3.43Å; R693-V697 PolarHBondContact O-N 3.01Å; R693-V697 VanDerWaalsContact O-N 3.1Å
694	G	97.5	Very high	96.7	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.6	-50.2	171.3	0	0	0	0	0	111.9	F615 P690 L691 Q696 V697 M698	F615-G694 WeakPolarHBondContact CZ-O 3.41Å; P690-G694 PolarHBondContact O-N 2.88Å; L691-G694 WeakPolarHBondContact O-CA 3.43Å; L691-G694 PolarHBondContact O-N 3.35Å; L691-G694 VanDerWaalsContact O-N 3.14Å; G694-Q696 PolarHBondContact O-N 3.47Å; G694-V697 PolarHBondContact O-N 2.85Å; G694-M698 WeakPolarHBondContact O-CB 3.39Å; G694-M698 PolarHBondContact O-N 3.27Å
695	K	97.1	Very high	96.6	Very high	46 Å²	46	45.1 Å²	45.1	20%	0.2	24%	0.238	C	C	.	.	H	α-helix	trans	-54.3	-50.1	173	-70	170.8	-178.3	166	0	112.1	I564 L691 E692 V697 M698 E699	I564-K695 WeakPolarHBondContact O-CE 3.47Å; L691-K695 WeakPolarHBondContact O-CG 3.46Å; L691-K695 PolarHBondContact O-N 2.9Å; E692-K695 IonicContact OE1-NZ 2.72Å; E692-K695 PolarHBondContact OE1-NZ 2.94Å; E692-K695 IonicContact OE2-NZ 4Å; E692-K695 PolarHBondContact OE2-NZ 3.49Å; K695-V697 VanDerWaalsContact C-N 3.31Å; K695-V697 PolarHBondContact O-N 3.42Å; K695-M698 WeakPolarHBondContact O-CB 3.43Å; K695-M698 PolarHBondContact O-N 2.94Å; K695-M698 VanDerWaalsContact O-N 3.14Å; K695-E699 WeakPolarHBondContact O-CB 3.1Å; K695-E699 PolarHBondContact O-N 2.92Å
696	Q	97.2	Very high	96.3	Very high	68 Å²	68	46.8 Å²	46.8	32%	0.318	25%	0.245	S	C	.	.	H	α-helix	trans	-58.6	-38.1	178.5	-74.9	171.2	-10.6	0	0	113.2	I670 E692 R693 G694 V700	I670-Q696 HydrophobicContact CD1-CB 3.8Å; I670-Q696 HydrophobicContact CG1-CB 4.14Å; I670-Q696 HydrophobicContact CG2-CB 4.29Å; E692-Q696 VanDerWaalsContact O-CG 3.26Å; E692-Q696 WeakPolarHBondContact O-CG 3.43Å; E692-Q696 PolarHBondContact O-N 3.43Å; R693-Q696 PolarHBondContact O-N 2.92Å; G694-Q696 PolarHBondContact O-N 3.47Å; Q696-V700 WeakPolarHBondContact O-CG2 3.48Å; Q696-V700 PolarHBondContact O-N 3.12Å
697	V	97.8	Very high	96	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-71.7	-41.8	176	175.2	0	0	0	0	111.2	F615 L667 I670 V680 L689 R693 G694 K695 V700 L701	F615-V697 HydrophobicContact CD1-CG1 3.81Å; F615-V697 HydrophobicContact CD2-CB 4.35Å; F615-V697 HydrophobicContact CD2-CG1 3.79Å; F615-V697 HydrophobicContact CE1-CB 4.35Å; F615-V697 HydrophobicContact CE1-CG1 3.76Å; F615-V697 HydrophobicContact CE2-CB 3.86Å; F615-V697 HydrophobicContact CE2-CG1 3.74Å; F615-V697 HydrophobicContact CG-CG1 3.81Å; F615-V697 HydrophobicContact CZ-CB 3.85Å; F615-V697 HydrophobicContact CZ-CG1 3.72Å; L667-V697 HydrophobicContact CD2-CB 4.44Å; L667-V697 HydrophobicContact CD2-CG1 4.15Å; L667-V697 HydrophobicContact CD2-CG2 4.38Å; I670-V697 HydrophobicContact CD1-CB 4.45Å; I670-V697 HydrophobicContact CD1-CG2 3.73Å; I670-V697 HydrophobicContact CG2-CG2 4.33Å; V680-V697 HydrophobicContact CB-CG2 4.46Å; V680-V697 HydrophobicContact CG1-CG2 4.18Å; V680-V697 HydrophobicContact CG2-CG2 3.97Å; L689-V697 HydrophobicContact CD1-CG2 4.03Å; R693-V697 WeakPolarHBondContact O-CG2 3.43Å; R693-V697 PolarHBondContact O-N 3.01Å; R693-V697 VanDerWaalsContact O-N 3.1Å; G694-V697 PolarHBondContact O-N 2.85Å; K695-V697 VanDerWaalsContact C-N 3.31Å; K695-V697 PolarHBondContact O-N 3.42Å; V697-V700 PolarHBondContact O-N 3.05Å; V697-L701 HydrophobicContact CG1-CD1 3.87Å; V697-L701 HydrophobicContact CG1-CG 4.48Å; V697-L701 WeakPolarHBondContact O-CB 3.44Å; V697-L701 VanDerWaalsContact O-CG 3.3Å; V697-L701 WeakPolarHBondContact O-CG 3.43Å; V697-L701 PolarHBondContact O-N 3.22Å
698	M	97.3	Very high	95.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.2	-42.2	178.3	174.9	-177.6	-93	0	0	112.5	F560 T562 I564 F569 Y613 F615 M627 G694 K695 L701 A702	F560-M698 HydrophobicContact CE1-CE 3.78Å; F560-M698 HydrophobicContact CE1-CG 4.06Å; F560-M698 HydrophobicContact CE1-SD 3.83Å; F560-M698 HydrophobicContact CZ-CE 4.1Å; T562-M698 HydrophobicContact CG2-CG 4.29Å; I564-M698 HydrophobicContact CD1-CE 3.73Å; I564-M698 HydrophobicContact CD1-SD 3.76Å; F569-M698 HydrophobicContact CE1-CE 3.81Å; F569-M698 HydrophobicContact CE1-SD 4.41Å; F569-M698 HydrophobicContact CZ-CE 4.39Å; Y613-M698 HydrophobicContact CD1-CE 4.13Å; Y613-M698 HydrophobicContact CD2-CE 3.55Å; Y613-M698 HydrophobicContact CE1-CE 4.17Å; Y613-M698 HydrophobicContact CE2-CE 3.58Å; Y613-M698 HydrophobicContact CG-CE 3.82Å; F615-M698 HydrophobicContact CE1-CB 4.3Å; F615-M698 HydrophobicContact CZ-CB 4.14Å; M627-M698 HydrophobicContact CE-CE 3.89Å; M627-M698 HydrophobicContact SD-CE 3.7Å; M627-M698 HydrophobicContact SD-CG 4.37Å; G694-M698 WeakPolarHBondContact O-CB 3.39Å; G694-M698 PolarHBondContact O-N 3.27Å; K695-M698 WeakPolarHBondContact O-CB 3.43Å; K695-M698 PolarHBondContact O-N 2.94Å; K695-M698 VanDerWaalsContact O-N 3.14Å; M698-L701 PolarHBondContact O-N 2.8Å; M698-A702 WeakPolarHBondContact O-CB 3.38Å; M698-A702 PolarHBondContact O-N 3Å
699	E	96.3	Very high	95.6	Very high	105 Å²	105	53.7 Å²	53.7	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-62.1	-46.2	176	-176.8	-175.1	-171.2	0	0	111.5	K695 A702 T703	K695-E699 WeakPolarHBondContact O-CB 3.1Å; K695-E699 PolarHBondContact O-N 2.92Å; E699-A702 PolarHBondContact O-N 3.32Å; E699-T703 WeakPolarHBondContact O-CB 3.47Å; E699-T703 WeakPolarHBondContact O-CG2 3.48Å; E699-T703 PolarHBondContact O-N 3.32Å; E699-T703 PolarHBondContact O-OG1 3.16Å
700	V	96.8	Very high	95.4	Very high	26 Å²	26	54.1 Å²	54.1	16%	0.158	29%	0.289	C	S	.	.	H	α-helix	trans	-64.2	-40.1	174.6	173.6	0	0	0	0	111	V662 A666 L667 Q696 V697 Y704	V662-V700 HydrophobicContact CG1-CG1 4.05Å; A666-V700 HydrophobicContact CB-CG1 4.15Å; L667-V700 HydrophobicContact CD2-CB 3.81Å; L667-V700 HydrophobicContact CD2-CG1 3.63Å; L667-V700 HydrophobicContact CD2-CG2 4.4Å; L667-V700 HydrophobicContact CG-CG1 4.15Å; Q696-V700 WeakPolarHBondContact O-CG2 3.48Å; Q696-V700 PolarHBondContact O-N 3.12Å; V697-V700 PolarHBondContact O-N 3.05Å; V700-Y704 WeakPolarHBondContact O-CB 3.42Å; V700-Y704 PolarHBondContact O-N 3.47Å
701	L	96.4	Very high	95.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.7	-43.7	175.1	-76.8	164.9	0	0	0	112	F615 M627 F658 K660 V662 V697 M698	F615-L701 HydrophobicContact CD1-CD1 3.33Å; F615-L701 HydrophobicContact CE1-CD1 3.49Å; F615-L701 VanDerWaalsContact CE1-CD1 3.49Å; F615-L701 HydrophobicContact CG-CD1 4.38Å; M627-L701 HydrophobicContact CB-CD1 4.28Å; F658-L701 HydrophobicContact CD2-CB 4.1Å; K660-L701 WeakPolarHBondContact CE-O 3.45Å; K660-L701 PolarHBondContact NZ-O 3.14Å; V662-L701 HydrophobicContact CB-CD2 4.16Å; V662-L701 HydrophobicContact CG2-CD2 3.75Å; V697-L701 HydrophobicContact CG1-CD1 3.87Å; V697-L701 HydrophobicContact CG1-CG 4.48Å; V697-L701 WeakPolarHBondContact O-CB 3.44Å; V697-L701 VanDerWaalsContact O-CG 3.3Å; V697-L701 WeakPolarHBondContact O-CG 3.43Å; V697-L701 PolarHBondContact O-N 3.22Å; M698-L701 PolarHBondContact O-N 2.8Å
702	A	94.8	Very high	95	Very high	27 Å²	27	56.2 Å²	56.2	22%	0.223	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-54.4	178.3	0	0	0	0	0	111.2	T562 F658 K660 M698 E699 Y704	T562-A702 HydrophobicContact CG2-CB 4.13Å; F658-A702 HydrophobicContact CE1-CB 4.46Å; F658-A702 HydrophobicContact CE2-CB 4.11Å; F658-A702 HydrophobicContact CZ-CB 3.68Å; K660-A702 PolarHBondContact NZ-O 3.36Å; M698-A702 WeakPolarHBondContact O-CB 3.38Å; M698-A702 PolarHBondContact O-N 3Å; E699-A702 PolarHBondContact O-N 3.32Å; A702-Y704 PolarHBondContact O-N 2.9Å
703	T	94.5	Very high	94.7	Very high	100 Å²	100	55.6 Å²	55.6	61%	0.613	30%	0.297	S	S	*	.	H	α-helix	trans	-74.7	-22.3	-173.1	56.1	0	0	0	0	115.1	E699 S705	E699-T703 WeakPolarHBondContact O-CB 3.47Å; E699-T703 WeakPolarHBondContact O-CG2 3.48Å; E699-T703 PolarHBondContact O-N 3.32Å; E699-T703 PolarHBondContact O-OG1 3.16Å; T703-S705 PolarHBondContact O-N 3.06Å
704	Y	95.5	Very high	94.3	Very high	75 Å²	75	52.8 Å²	52.8	29%	0.294	29%	0.287	S	S	.	.			trans	-70.3	119.2	-173.6	-172.1	-93.5	0	0	0	113.5	D661 V662 P663 V700 A702 H706	D661-Y704 WeakPolarHBondContact O-CE1 3.5Å; V662-Y704 HydrophobicContact CB-CD1 4.28Å; V662-Y704 HydrophobicContact CB-CG 4.49Å; V662-Y704 HydrophobicContact CG1-CD1 4.3Å; V662-Y704 HydrophobicContact CG1-CD2 4.32Å; V662-Y704 HydrophobicContact CG1-CG 4.05Å; V662-Y704 HydrophobicContact CG2-CD1 3.68Å; V662-Y704 HydrophobicContact CG2-CE1 4.46Å; V662-Y704 HydrophobicContact CG2-CG 3.97Å; P663-Y704 VanDerWaalsContact CD-OH 3.27Å; P663-Y704 WeakPolarHBondContact CD-OH 3.4Å; P663-Y704 HydrophobicContact CG-CE2 4.34Å; P663-Y704 WeakPolarHBondContact CG-OH 3.29Å; V700-Y704 WeakPolarHBondContact O-CB 3.42Å; V700-Y704 PolarHBondContact O-N 3.47Å; A702-Y704 PolarHBondContact O-N 2.9Å; Y704-H706 HydrophobicContact CD1-CB 4.21Å; Y704-H706 HydrophobicContact CE1-CB 4.35Å; Y704-H706 PolarHBondContact O-N 2.84Å
705	S	93.6	Very high	94	Very high	106 Å²	106	56.3 Å²	56.3	74%	0.741	30%	0.302	S	S	*	.			trans	-72.8	85.8	171	-49.7	0	0	0	0	111	T703	T703-S705 PolarHBondContact O-N 3.06Å
706	H	91.1	Very high	93.7	Very high	75 Å²	75	59.9 Å²	59.9	35%	0.347	32%	0.315	S	S	.	.			trans	-63.2	151.6	175.5	71	-58.7	0	0	0	113.8	K660 Y704 L708	K660-H706 HydrophobicContact CB-CB 3.69Å; K660-H706 WeakPolarHBondContact CB-CD2 3.49Å; K660-H706 HydrophobicContact CD-CB 4.35Å; Y704-H706 HydrophobicContact CD1-CB 4.21Å; Y704-H706 HydrophobicContact CE1-CB 4.35Å; Y704-H706 PolarHBondContact O-N 2.84Å; H706-L708 PolarHBondContact CD2-O 3.39Å
707	T	91.3	Very high	93.5	Very high	122 Å²	122	57.4 Å²	57.4	75%	0.748	30%	0.303	S	S	*	.	S	Bend	trans	-118.8	-5.9	174.7	59.3	0	0	0	0	113
708	L	93.4	Very high	93.1	Very high	104 Å²	104	57.6 Å²	57.6	55%	0.545	30%	0.304	S	S	.	.			trans	-145	149	-178.8	-66.5	174.4	0	0	0	109.2	D661 H706 D712	D661-L708 HydrophobicContact CB-CB 4.44Å; D661-L708 WeakPolarHBondContact CB-O 3.47Å; D661-L708 PolarHBondContact N-O 3.1Å; D661-L708 VanDerWaalsContact N-O 3.07Å; H706-L708 PolarHBondContact CD2-O 3.39Å; L708-D712 WeakPolarHBondContact CA-OD2 3.25Å
709	S	94.4	Very high	92.7	Very high	7 Å²	7	61.7 Å²	61.7	5%	0.049	32%	0.323	C	S	.	.			trans	-155	158.4	172.1	-171.8	0	0	0	0	110	V659 F711 D712	V659-S709 PolarHBondContact O-OG 3.42Å; S709-F711 PolarHBondContact O-N 3.09Å; S709-D712 PolarHBondContact N-OD2 2.82Å; S709-D712 WeakPolarHBondContact O-CB 3.21Å; S709-D712 PolarHBondContact O-N 3.45Å; S709-D712 VanDerWaalsContact O-OD2 3.07Å
710	I	93.4	Very high	92.4	Very high	16 Å²	16	60.2 Å²	60.2	8%	0.082	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-10	174.9	-164.3	169.2	0	0	0	113.8	E577 I580 H581 I584 V659 F714 Y717	E577-I710 HydrophobicContact CB-CD1 4.44Å; I580-I710 HydrophobicContact CB-CD1 3.83Å; I580-I710 HydrophobicContact CG2-CD1 3.74Å; H581-I710 HydrophobicContact CB-CD1 4.05Å; I584-I710 HydrophobicContact CD1-CG2 3.5Å; I584-I710 VanDerWaalsContact CD1-CG2 3.5Å; V659-I710 HydrophobicContact CG1-CG2 3.69Å; I710-F714 PolarHBondContact O-N 3.27Å; I710-Y717 HydrophobicContact CD1-CE2 4.37Å; I710-Y717 HydrophobicContact CG1-CD2 4.15Å; I710-Y717 HydrophobicContact CG1-CE2 3.95Å
711	F	91.9	Very high	92	Very high	27 Å²	27	60.2 Å²	60.2	12%	0.118	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-29.6	169.6	-63.9	-58.6	0	0	0	114.7	H548 L551 I555 I584 V659 S709 D713 F714	H548-F711 AromaticContact CE1-CD1 3.98Å; H548-F711 AromaticContact CE1-CG 3.73Å; H548-F711 AromaticContact ND1-CD1 3.28Å; H548-F711 VanDerWaalsContact ND1-CD1 3.28Å; H548-F711 WeakPolarHBondContact ND1-CD1 3.46Å; H548-F711 AromaticContact ND1-CG 3.53Å; L551-F711 HydrophobicContact CD1-CE1 4.29Å; I555-F711 HydrophobicContact CD1-CD2 4.23Å; I555-F711 HydrophobicContact CD1-CE1 4.28Å; I555-F711 HydrophobicContact CD1-CE2 3.15Å; I555-F711 HydrophobicContact CD1-CZ 3.19Å; I555-F711 HydrophobicContact CG1-CE2 4.43Å; I584-F711 HydrophobicContact CG2-CE1 4.2Å; I584-F711 HydrophobicContact CG2-CZ 4.33Å; V659-F711 HydrophobicContact CB-CE2 3.57Å; V659-F711 HydrophobicContact CB-CZ 3.93Å; V659-F711 HydrophobicContact CG1-CD2 4.06Å; V659-F711 HydrophobicContact CG1-CE2 3.3Å; V659-F711 HydrophobicContact CG1-CZ 3.59Å; V659-F711 HydrophobicContact CG2-CE2 4.39Å; V659-F711 HydrophobicContact CG2-CZ 4.28Å; S709-F711 PolarHBondContact O-N 3.09Å; F711-D713 PolarHBondContact O-N 2.75Å; F711-F714 AromaticContact CD1-CD2 3.59Å; F711-F714 HydrophobicContact CD1-CD2 3.59Å; F711-F714 HydrophobicContact CD1-CE2 4.09Å; F711-F714 HydrophobicContact CD1-CG 4.3Å; F711-F714 AromaticContact CE1-CD2 3.94Å; F711-F714 HydrophobicContact CE1-CD2 3.94Å; F711-F714 AromaticContact CE1-CE2 3.95Å; F711-F714 HydrophobicContact CE1-CE2 3.95Å; F711-F714 WeakPolarHBondContact O-CB 3.31Å; F711-F714 PolarHBondContact O-N 2.87Å; F711-F714 VanDerWaalsContact O-N 3.07Å
712	D	91.2	Very high	91.4	Very high	109 Å²	109	65 Å²	65	58%	0.583	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-30.2	-179.8	-57.6	-41.5	0	0	0	110.8	L708 S709	L708-D712 WeakPolarHBondContact CA-OD2 3.25Å; S709-D712 PolarHBondContact N-OD2 2.82Å; S709-D712 WeakPolarHBondContact O-CB 3.21Å; S709-D712 PolarHBondContact O-N 3.45Å; S709-D712 VanDerWaalsContact O-OD2 3.07Å
713	D	90.7	Very high	90.9	Very high	90 Å²	90	67.6 Å²	67.6	48%	0.481	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	12.5	176.5	-73.5	-53.3	0	0	0	113.9	F711 F715 Y716 Y717	F711-D713 PolarHBondContact O-N 2.75Å; D713-F715 PolarHBondContact O-N 2.87Å; D713-Y716 WeakPolarHBondContact O-CA 3.21Å; D713-Y716 VanDerWaalsContact O-CB 3.32Å; D713-Y716 WeakPolarHBondContact O-CB 3.42Å; D713-Y716 PolarHBondContact O-N 2.91Å; D713-Y717 HydrophobicContact CB-CD2 4.06Å; D713-Y717 HydrophobicContact CB-CE2 3.69Å; D713-Y717 VanDerWaalsContact O-CD2 3.29Å; D713-Y717 WeakPolarHBondContact O-CD2 3.41Å; D713-Y717 PolarHBondContact O-N 3.09Å
714	F	88.9	Confident	90.3	Very high	6 Å²	6	64.2 Å²	64.2	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-55.7	-47.8	-170.7	-156	-92.7	0	0	0	112.7	L547 L551 H581 I584 K585 I710 F711 Y716 Y717 D718	L547-F714 HydrophobicContact CD2-CE1 4.18Å; L547-F714 HydrophobicContact CD2-CZ 4.17Å; L551-F714 HydrophobicContact CD1-CZ 4.48Å; H581-F714 AromaticContact CD2-CD2 3.69Å; H581-F714 AromaticContact CD2-CE2 3.55Å; H581-F714 AromaticContact CD2-CZ 3.72Å; H581-F714 AromaticContact NE2-CD1 3.85Å; H581-F714 AromaticContact NE2-CE1 3.56Å; H581-F714 AromaticContact NE2-CE2 3.96Å; H581-F714 AromaticContact NE2-CZ 3.63Å; I584-F714 HydrophobicContact CG2-CE2 4.17Å; K585-F714 HydrophobicContact CB-CZ 4.32Å; I710-F714 PolarHBondContact O-N 3.27Å; F711-F714 AromaticContact CD1-CD2 3.59Å; F711-F714 HydrophobicContact CD1-CD2 3.59Å; F711-F714 HydrophobicContact CD1-CE2 4.09Å; F711-F714 HydrophobicContact CD1-CG 4.3Å; F711-F714 AromaticContact CE1-CD2 3.94Å; F711-F714 HydrophobicContact CE1-CD2 3.94Å; F711-F714 AromaticContact CE1-CE2 3.95Å; F711-F714 HydrophobicContact CE1-CE2 3.95Å; F711-F714 WeakPolarHBondContact O-CB 3.31Å; F711-F714 PolarHBondContact O-N 2.87Å; F711-F714 VanDerWaalsContact O-N 3.07Å; F714-Y716 VanDerWaalsContact C-N 3.25Å; F714-Y716 PolarHBondContact O-N 3.49Å; F714-Y717 PolarHBondContact O-N 3.07Å; F714-Y717 VanDerWaalsContact O-N 3.15Å; F714-D718 WeakPolarHBondContact CE1-OD2 3.35Å; F714-D718 PolarHBondContact O-N 3.25Å
715	F	89.6	Confident	89.4	Confident	74 Å²	74	62 Å²	62	33%	0.325	32%	0.315	S	S	.	.	H	α-helix	trans	-63.3	-29	178.3	179.5	-109.5	0	0	0	113.2	F540 Q541 D713 Q719	F540-F715 HydrophobicContact CD1-CE2 4.35Å; Q541-F715 HydrophobicContact CB-CD2 4.33Å; Q541-F715 HydrophobicContact CB-CE2 3.64Å; Q541-F715 HydrophobicContact CB-CZ 4.17Å; Q541-F715 HydrophobicContact CG-CD2 4.08Å; Q541-F715 HydrophobicContact CG-CE2 3.77Å; Q541-F715 HydrophobicContact CG-CZ 4.21Å; D713-F715 PolarHBondContact O-N 2.87Å; F715-Q719 VanDerWaalsContact O-CB 3.29Å; F715-Q719 WeakPolarHBondContact O-CB 3.43Å; F715-Q719 PolarHBondContact O-N 3.17Å
716	Y	91.4	Very high	88.3	Confident	120 Å²	120	62.5 Å²	62.5	47%	0.471	30%	0.304	S	S	.	.	H	α-helix	trans	-67.3	-46	173.6	162.1	-93.8	0	0	0	110.8	D713 F714 Q719 R720	D713-Y716 WeakPolarHBondContact O-CA 3.21Å; D713-Y716 VanDerWaalsContact O-CB 3.32Å; D713-Y716 WeakPolarHBondContact O-CB 3.42Å; D713-Y716 PolarHBondContact O-N 2.91Å; F714-Y716 VanDerWaalsContact C-N 3.25Å; F714-Y716 PolarHBondContact O-N 3.49Å; Y716-Q719 PolarHBondContact O-N 3.01Å; Y716-R720 VanDerWaalsContact O-CB 3.26Å; Y716-R720 WeakPolarHBondContact O-CB 3.32Å; Y716-R720 PolarHBondContact O-N 2.85Å
717	Y	92.5	Very high	87.4	Confident	16 Å²	16	66.4 Å²	66.4	6%	0.063	32%	0.315	C	S	.	.	H	α-helix	trans	-67.2	-38.3	176.5	-69.3	-71.7	0	0	0	112.5	E577 H581 I710 D713 F714 R720 E721	E577-Y717 HydrophobicContact CB-CE1 3.91Å; E577-Y717 WeakPolarHBondContact CB-OH 3.35Å; E577-Y717 PolarHBondContact OE2-OH 2.81Å; H581-Y717 HydrophobicContact CB-CD1 4.45Å; H581-Y717 HydrophobicContact CB-CD2 4.39Å; H581-Y717 HydrophobicContact CB-CG 3.95Å; I710-Y717 HydrophobicContact CD1-CE2 4.37Å; I710-Y717 HydrophobicContact CG1-CD2 4.15Å; I710-Y717 HydrophobicContact CG1-CE2 3.95Å; D713-Y717 HydrophobicContact CB-CD2 4.06Å; D713-Y717 HydrophobicContact CB-CE2 3.69Å; D713-Y717 VanDerWaalsContact O-CD2 3.29Å; D713-Y717 WeakPolarHBondContact O-CD2 3.41Å; D713-Y717 PolarHBondContact O-N 3.09Å; F714-Y717 PolarHBondContact O-N 3.07Å; F714-Y717 VanDerWaalsContact O-N 3.15Å; Y717-R720 PolarHBondContact O-N 3.31Å; Y717-E721 WeakPolarHBondContact O-CB 3.13Å; Y717-E721 PolarHBondContact O-N 3.32Å
718	D	90.7	Very high	86.4	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-59.9	-49.1	173.2	-110.9	-31.1	0	0	0	111.7	F540 S544 H581 K585 F714 R720 E721 R722	F540-D718 HydrophobicContact CE1-CB 4.2Å; F540-D718 HydrophobicContact CZ-CB 3.83Å; F540-D718 WeakPolarHBondContact CZ-O 3.29Å; S544-D718 WeakPolarHBondContact CB-OD2 3.49Å; S544-D718 PolarHBondContact OG-OD2 3.27Å; H581-D718 IonicContact CE1-OD1 2.85Å; H581-D718 IonicContact NE2-OD1 3.26Å; K585-D718 WeakPolarHBondContact CE-OD1 3.2Å; K585-D718 IonicContact NZ-OD1 3.28Å; K585-D718 PolarHBondContact NZ-OD1 2.91Å; F714-D718 WeakPolarHBondContact CE1-OD2 3.35Å; F714-D718 PolarHBondContact O-N 3.25Å; D718-R720 VanDerWaalsContact C-N 3.3Å; D718-R720 PolarHBondContact O-N 3.04Å; D718-E721 PolarHBondContact O-N 3.42Å; D718-R722 PolarHBondContact O-N 3.45Å; D718-R722 VanDerWaalsContact O-N 3.1Å
719	Q	89.3	Confident	85.3	Confident	87 Å²	87	65.5 Å²	65.5	41%	0.407	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-39.3	176.7	-168.8	-171.8	115.5	0	0	111.4	F715 Y716 R722 Q723	F715-Q719 VanDerWaalsContact O-CB 3.29Å; F715-Q719 WeakPolarHBondContact O-CB 3.43Å; F715-Q719 PolarHBondContact O-N 3.17Å; Y716-Q719 PolarHBondContact O-N 3.01Å; Q719-R722 PolarHBondContact O-N 3.43Å; Q719-Q723 WeakPolarHBondContact O-CG 3.46Å; Q719-Q723 PolarHBondContact O-N 3.46Å
720	R	89.2	Confident	84	Confident	73 Å²	73	70.1 Å²	70.1	28%	0.275	32%	0.315	S	S	.	.	H	α-helix	trans	-68.6	-42.7	179	-177.6	172.2	167.8	-141.1	-27.4	112.4	D578 Y716 Y717 D718 R722 Q723 E724	D578-R720 VanDerWaalsContact CG-CZ 3.43Å; D578-R720 VanDerWaalsContact CG-NH1 3.3Å; D578-R720 VanDerWaalsContact CG-NH2 3.26Å; D578-R720 IonicContact OD1-CZ 3.9Å; D578-R720 IonicContact OD1-NE 2.83Å; D578-R720 IonicContact OD1-NH1 2.72Å; D578-R720 PolarHBondContact OD1-NH1 3.24Å; D578-R720 VanDerWaalsContact OD1-NH1 3.1Å; D578-R720 IonicContact OD1-NH2 3.07Å; D578-R720 PolarHBondContact OD1-NH2 2.7Å; D578-R720 IonicContact OD2-CZ 3.63Å; D578-R720 IonicContact OD2-NH1 2.6Å; D578-R720 PolarHBondContact OD2-NH1 2.86Å; D578-R720 IonicContact OD2-NH2 2.87Å; D578-R720 PolarHBondContact OD2-NH2 3.16Å; Y716-R720 VanDerWaalsContact O-CB 3.26Å; Y716-R720 WeakPolarHBondContact O-CB 3.32Å; Y716-R720 PolarHBondContact O-N 2.85Å; Y717-R720 PolarHBondContact O-N 3.31Å; D718-R720 VanDerWaalsContact C-N 3.3Å; D718-R720 PolarHBondContact O-N 3.04Å; R720-R722 VanDerWaalsContact C-N 3.29Å; R720-R722 PolarHBondContact O-N 2.94Å; R720-Q723 PolarHBondContact O-N 3.36Å; R720-E724 HydrophobicContact CG-CG 4.49Å; R720-E724 IonicContact CZ-OE1 3.67Å; R720-E724 VanDerWaalsContact CZ-OE1 3.26Å; R720-E724 IonicContact NE-OE1 3.94Å; R720-E724 PolarHBondContact NE-OE1 3.04Å; R720-E724 IonicContact NH2-OE1 3.94Å; R720-E724 PolarHBondContact NH2-OE1 2.83Å; R720-E724 WeakPolarHBondContact O-CG 3.4Å; R720-E724 PolarHBondContact O-N 3.04Å
721	E	88.1	Confident	82.7	Confident	26 Å²	26	74.7 Å²	74.7	12%	0.121	34%	0.335	C	S	.	.	H	α-helix	trans	-56.5	-45.3	173.1	-173.9	-172.2	178.1	0	0	110.5	H581 K585 Y586 Y717 D718 Q723 E724 G725	H581-E721 IonicContact CE1-OE2 2.8Å; K585-E721 IonicContact NZ-OE2 3.39Å; K585-E721 PolarHBondContact NZ-OE2 2.99Å; Y586-E721 VanDerWaalsContact CE2-OE1 3.25Å; Y586-E721 WeakPolarHBondContact CE2-OE1 3.26Å; Y586-E721 PolarHBondContact OH-OE1 3.1Å; Y586-E721 PolarHBondContact OH-OE2 3.42Å; Y717-E721 WeakPolarHBondContact O-CB 3.13Å; Y717-E721 PolarHBondContact O-N 3.32Å; D718-E721 PolarHBondContact O-N 3.42Å; E721-Q723 PolarHBondContact O-N 3.24Å; E721-E724 PolarHBondContact O-N 2.89Å; E721-G725 PolarHBondContact O-N 3.28Å
722	R	84.6	Confident	81.5	Confident	101 Å²	101	78.6 Å²	78.6	38%	0.381	36%	0.357	S	S	.	.	H	α-helix	trans	-60.3	-42.9	176.9	-168.3	174.8	-178.7	130.1	-3.2	112.1	F540 D718 Q719 R720 G725 F726	F540-R722 HydrophobicContact CZ-CB 4.27Å; D718-R722 PolarHBondContact O-N 3.45Å; D718-R722 VanDerWaalsContact O-N 3.1Å; Q719-R722 PolarHBondContact O-N 3.43Å; R720-R722 VanDerWaalsContact C-N 3.29Å; R720-R722 PolarHBondContact O-N 2.94Å; R722-G725 PolarHBondContact O-N 2.9Å; R722-F726 HydrophobicContact CG-CD2 4.4Å; R722-F726 HydrophobicContact CG-CE2 3.91Å; R722-F726 WeakPolarHBondContact O-CD2 3.35Å; R722-F726 PolarHBondContact O-N 3.4Å
723	Q	83.5	Confident	80.6	Confident	81 Å²	81	78.9 Å²	78.9	38%	0.379	36%	0.363	S	S	.	.	H	α-helix	trans	-65.7	-42.3	175.4	-70	178.7	32	0	0	112.9	Q719 R720 E721 F726 R727	Q719-Q723 WeakPolarHBondContact O-CG 3.46Å; Q719-Q723 PolarHBondContact O-N 3.46Å; R720-Q723 PolarHBondContact O-N 3.36Å; E721-Q723 PolarHBondContact O-N 3.24Å; Q723-F726 PolarHBondContact O-N 3.04Å; Q723-R727 PolarHBondContact O-N 3.5Å; Q723-R727 VanDerWaalsContact O-N 3.12Å
724	E	82.2	Confident	79.5	Confident	29 Å²	29	83.7 Å²	83.7	14%	0.136	37%	0.374	C	S	.	.	H	α-helix	trans	-65.3	-39.5	176.6	-73	176.8	-173.1	0	0	111.5	R582 R720 E721 F726 R727 R728	R582-E724 IonicContact CZ-OE2 3.37Å; R582-E724 IonicContact NH1-OE2 3.77Å; R582-E724 PolarHBondContact NH1-OE2 3Å; R582-E724 IonicContact NH2-OE2 2.61Å; R582-E724 PolarHBondContact NH2-OE2 2.95Å; R720-E724 HydrophobicContact CG-CG 4.49Å; R720-E724 IonicContact CZ-OE1 3.67Å; R720-E724 VanDerWaalsContact CZ-OE1 3.26Å; R720-E724 IonicContact NE-OE1 3.94Å; R720-E724 PolarHBondContact NE-OE1 3.04Å; R720-E724 IonicContact NH2-OE1 3.94Å; R720-E724 PolarHBondContact NH2-OE1 2.83Å; R720-E724 WeakPolarHBondContact O-CG 3.4Å; R720-E724 PolarHBondContact O-N 3.04Å; E721-E724 PolarHBondContact O-N 2.89Å; E724-F726 VanDerWaalsContact C-N 3.35Å; E724-F726 PolarHBondContact O-N 3.33Å; E724-R727 PolarHBondContact O-N 3.09Å; E724-R728 WeakPolarHBondContact O-CG 3.39Å; E724-R728 PolarHBondContact O-N 2.92Å
725	G	76.5	Confident	78.1	Confident	30 Å²	30	92.7 Å²	92.7	31%	0.309	41%	0.408	S	S	.	.	H	α-helix	trans	-60.4	-38.3	173.8	0	0	0	0	0	113.6	E721 R722 K729	E721-G725 PolarHBondContact O-N 3.28Å; R722-G725 PolarHBondContact O-N 2.9Å; G725-K729 WeakPolarHBondContact O-CG 3.34Å; G725-K729 PolarHBondContact O-N 3.35Å
726	F	69.9	Low	76.2	Confident	116 Å²	116	95.2 Å²	95.2	51%	0.509	46%	0.455	S	S	.	.	H	α-helix	trans	-66.1	-45.2	171.3	-75.3	-61.9	0	0	0	112.1	R722 Q723 E724 R728 K729 E730	R722-F726 HydrophobicContact CG-CD2 4.4Å; R722-F726 HydrophobicContact CG-CE2 3.91Å; R722-F726 WeakPolarHBondContact O-CD2 3.35Å; R722-F726 PolarHBondContact O-N 3.4Å; Q723-F726 PolarHBondContact O-N 3.04Å; E724-F726 VanDerWaalsContact C-N 3.35Å; E724-F726 PolarHBondContact O-N 3.33Å; F726-R728 VanDerWaalsContact C-N 3.35Å; F726-R728 PolarHBondContact O-N 2.82Å; F726-K729 PolarHBondContact O-N 3.5Å; F726-E730 PolarHBondContact O-N 3.2Å
727	R	72.1	Confident	75.5	Confident	157 Å²	157	94 Å²	94	59%	0.592	45%	0.454	S	S	*	.	H	α-helix	trans	-60.8	-40	177.6	-70.2	178.1	-176.2	134	6.8	112.7	Q723 E724 E730 F731	Q723-R727 PolarHBondContact O-N 3.5Å; Q723-R727 VanDerWaalsContact O-N 3.12Å; E724-R727 PolarHBondContact O-N 3.09Å; R727-E730 PolarHBondContact O-N 2.9Å; R727-F731 WeakPolarHBondContact O-CB 3.41Å; R727-F731 PolarHBondContact O-N 3.41Å
728	R	71	Confident	74.6	Confident	62 Å²	62	98.1 Å²	98.1	23%	0.234	47%	0.474	C	S	.	.	H	α-helix	trans	-62.7	-42	174.7	-72.2	179.7	-177.6	177.4	0.5	111.8	S641 W643 A644 D646 E724 F726 F731 N732	S641-R728 PolarHBondContact O-NH1 3.5Å; W643-R728 PolarHBondContact O-NH1 3.28Å; W643-R728 VanDerWaalsContact O-NH1 3.07Å; W643-R728 PolarHBondContact O-NH2 2.89Å; A644-R728 PolarHBondContact O-NH2 3.4Å; D646-R728 IonicContact OD1-CZ 3.34Å; D646-R728 IonicContact OD1-NE 2.75Å; D646-R728 IonicContact OD1-NH1 3.26Å; D646-R728 PolarHBondContact OD1-NH1 2.67Å; D646-R728 IonicContact OD1-NH2 2.85Å; D646-R728 IonicContact OD2-CZ 3.71Å; D646-R728 IonicContact OD2-NE 3.52Å; E724-R728 WeakPolarHBondContact O-CG 3.39Å; E724-R728 PolarHBondContact O-N 2.92Å; F726-R728 VanDerWaalsContact C-N 3.35Å; F726-R728 PolarHBondContact O-N 2.82Å; R728-F731 PolarHBondContact O-N 3.43Å; R728-N732 PolarHBondContact O-N 3.17Å; R728-N732 VanDerWaalsContact O-N 3.14Å
729	K	69.7	Low	73.7	Confident	145 Å²	145	103.3 Å²	103.3	63%	0.63	50%	0.5	S	S	*	.	H	α-helix	trans	-62.4	-50.9	174.4	-72.1	173.2	-178.5	-179.6	0	111.4	G725 F726 F731 N732 T733	G725-K729 WeakPolarHBondContact O-CG 3.34Å; G725-K729 PolarHBondContact O-N 3.35Å; F726-K729 PolarHBondContact O-N 3.5Å; K729-F731 VanDerWaalsContact C-N 3.33Å; K729-F731 PolarHBondContact O-N 3.45Å; K729-N732 PolarHBondContact O-N 3.27Å; K729-T733 PolarHBondContact O-N 3.29Å; K729-T733 PolarHBondContact O-OG1 2.88Å; K729-T733 VanDerWaalsContact O-OG1 3.11Å
730	E	67.1	Low	72.7	Confident	103 Å²	103	104.2 Å²	104.2	48%	0.481	51%	0.505	S	S	.	.	H	α-helix	trans	-56.7	-43.1	176.7	-81	-167.1	-139.5	0	0	113.2	F726 R727 N732 T733 R734	F726-E730 PolarHBondContact O-N 3.2Å; R727-E730 PolarHBondContact O-N 2.9Å; E730-N732 VanDerWaalsContact C-N 3.35Å; E730-N732 PolarHBondContact O-N 3.36Å; E730-T733 PolarHBondContact O-N 3.07Å; E730-R734 WeakPolarHBondContact O-CG 3.43Å; E730-R734 PolarHBondContact O-N 2.6Å; E730-R734 VanDerWaalsContact O-N 3.12Å; E730-R734 IonicContact OE2-CZ 3.1Å; E730-R734 IonicContact OE2-NH2 3.57Å; E730-R734 PolarHBondContact OE2-NH2 3.48Å
731	F	67	Low	71.7	Confident	112 Å²	112	106.2 Å²	106.2	49%	0.491	52%	0.519	S	S	.	.	H	α-helix	trans	-65	-39.6	-179.5	-172.4	-100	0	0	0	112	R727 R728 K729 R734 R735	R727-F731 WeakPolarHBondContact O-CB 3.41Å; R727-F731 PolarHBondContact O-N 3.41Å; R728-F731 PolarHBondContact O-N 3.43Å; K729-F731 VanDerWaalsContact C-N 3.33Å; K729-F731 PolarHBondContact O-N 3.45Å; F731-R734 PolarHBondContact O-N 2.93Å; F731-R735 PolarHBondContact O-N 2.86Å
732	N	66.7	Low	70.6	Confident	110 Å²	110	111.5 Å²	111.5	59%	0.588	55%	0.546	S	S	*	.	H	α-helix	trans	-68.9	-40.8	175.8	-69.5	-9.4	0	0	0	111.7	R728 K729 E730 R734 R735 G736	R728-N732 PolarHBondContact O-N 3.17Å; R728-N732 VanDerWaalsContact O-N 3.14Å; K729-N732 PolarHBondContact O-N 3.27Å; E730-N732 VanDerWaalsContact C-N 3.35Å; E730-N732 PolarHBondContact O-N 3.36Å; N732-R734 PolarHBondContact O-N 3.4Å; N732-R735 PolarHBondContact O-N 3.13Å; N732-G736 PolarHBondContact O-N 3.38Å
733	T	72	Confident	69.6	Low	114 Å²	114	112.3 Å²	112.3	70%	0.699	56%	0.558	S	S	*	*	H	α-helix	trans	-66.4	-13.3	174.3	-55.6	0	0	0	0	113.6	K729 E730	K729-T733 PolarHBondContact O-N 3.29Å; K729-T733 PolarHBondContact O-OG1 2.88Å; K729-T733 VanDerWaalsContact O-OG1 3.11Å; E730-T733 PolarHBondContact O-N 3.07Å
734	R	67.7	Low	68.6	Low	191 Å²	191	114.7 Å²	114.7	72%	0.721	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	5	171.2	-65.2	178.6	-158.9	-155	10.6	113.8	E730 F731 N732	E730-R734 WeakPolarHBondContact O-CG 3.43Å; E730-R734 PolarHBondContact O-N 2.6Å; E730-R734 VanDerWaalsContact O-N 3.12Å; E730-R734 IonicContact OE2-CZ 3.1Å; E730-R734 IonicContact OE2-NH2 3.57Å; E730-R734 PolarHBondContact OE2-NH2 3.48Å; F731-R734 PolarHBondContact O-N 2.93Å; N732-R734 PolarHBondContact O-N 3.4Å
735	R	60.7	Low	67.4	Low	196 Å²	196	121.8 Å²	121.8	74%	0.74	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.3	-11.8	-179.8	-84.7	-171.2	165.6	-158.1	-3.3	114.6	F731 N732	F731-R735 PolarHBondContact O-N 2.86Å; N732-R735 PolarHBondContact O-N 3.13Å
736	G	48.8	Very low	66.6	Low	126 Å²	126	130.2 Å²	130.2	100%	1.299	64%	0.635	S	S	*	*			trans	-98	0	163	0	0	0	0	0	110.9	N732	N732-G736 PolarHBondContact O-N 3.38Å

Retrieved 736 of 736 residues in 94.9 ms (Link to these results)

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