A0A077Z1X5_TRITR Loading...

Hunchback transcription factor

AlphaFold DB , UniProt , Accession A0A077Z1X5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 771 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	37.2	Very low	239 Å²	239	130 Å²	130	100%	1.177	85%	0.852	S	S	*	*				0	112	0	-57.2	171.6	-176.7	0	0	106
2	L	40	Very low	36.8	Very low	158 Å²	158	128.6 Å²	128.6	83%	0.827	85%	0.847	S	S	*	*			cis	-134.4	127.6	1.3	-65.8	154.8	0	0	0	105.8
3	S	37.3	Very low	36.9	Very low	110 Å²	110	129.8 Å²	129.8	77%	0.769	85%	0.85	S	S	*	*				45.6	122.7	79.1	64.1	0	0	0	0	114.2
4	G	37.7	Very low	36.6	Very low	71 Å²	71	133.7 Å²	133.7	73%	0.732	85%	0.851	S	S	*	*			cis	-146.5	-161.4	-1.7	0	0	0	0	0	110.1
5	S	44.7	Very low	36.6	Very low	124 Å²	124	138.1 Å²	138.1	87%	0.867	86%	0.856	S	S	*	*			cis	-159.2	162.6	20.4	-60.9	0	0	0	0	111.6
6	T	33.3	Very low	36.7	Very low	134 Å²	134	135.9 Å²	135.9	82%	0.822	85%	0.848	S	S	*	*			trans	-111.5	148	172.9	41	0	0	0	0	111.9
7	C	36.1	Very low	36.7	Very low	132 Å²	132	138.2 Å²	138.2	89%	0.892	85%	0.853	S	S	*	*			trans	-131.3	141.8	169.6	-59.9	0	0	0	0	109.5
8	T	34.5	Very low	36.5	Very low	138 Å²	138	135.7 Å²	135.7	85%	0.847	85%	0.848	S	S	*	*			trans	-135.9	135.2	-169.6	-47.4	0	0	0	0	110.8
9	A	37.2	Very low	36.8	Very low	99 Å²	99	137.5 Å²	137.5	82%	0.818	85%	0.851	S	S	*	*			trans	-178.8	147.8	149.1	0	0	0	0	0	111.4
10	A	31.6	Very low	36.8	Very low	91 Å²	91	138.1 Å²	138.1	75%	0.752	85%	0.848	S	S	*	*			trans	-111.4	178.4	156.8	0	0	0	0	0	108.3
11	P	38.5	Very low	37.2	Very low	134 Å²	134	138.7 Å²	138.7	87%	0.87	85%	0.851	S	S	*	*				-144.3	-179.3	82.5	38.5	-21.4	0	0	0	114.8
12	S	32.4	Very low	37.2	Very low	113 Å²	113	135 Å²	135	79%	0.79	84%	0.836	S	S	*	*			trans	-103.4	148.7	-178	53.3	0	0	0	0	113.4
13	T	38.2	Very low	36.9	Very low	145 Å²	145	131.1 Å²	131.1	89%	0.89	84%	0.835	S	S	*	*			trans	-135.3	136.3	157.3	46.8	0	0	0	0	109.9
14	Q	31.9	Very low	36.8	Very low	184 Å²	184	129.9 Å²	129.9	86%	0.86	84%	0.839	S	S	*	*			trans	-81.4	150.8	171.1	-58.7	158.5	-89.7	0	0	109.8
15	E	37	Very low	36.6	Very low	199 Å²	199	132.1 Å²	132.1	93%	0.93	84%	0.843	S	S	*	*			trans	-142.4	149.1	131.9	-77.4	-152.6	108.1	0	0	108.5
16	S	38	Very low	36.2	Very low	104 Å²	104	131.8 Å²	131.8	73%	0.727	84%	0.841	S	S	*	*			trans	-135.5	130.9	-172.7	55.9	0	0	0	0	110.7
17	N	36.6	Very low	36.4	Very low	174 Å²	174	131.1 Å²	131.1	93%	0.93	84%	0.839	S	S	*	*			trans	-139	131	164.2	-87.1	-60	0	0	0	109.3
18	A	33.2	Very low	36.2	Very low	93 Å²	93	130.1 Å²	130.1	77%	0.769	83%	0.834	S	S	*	*			trans	-134	136.4	175.3	0	0	0	0	0	108.2
19	L	41.6	Very low	36.1	Very low	171 Å²	171	131 Å²	131	90%	0.895	83%	0.833	S	S	*	*			trans	-148.4	155	167.6	-76.6	-177.2	0	0	0	109.4
20	D	37.1	Very low	35.8	Very low	148 Å²	148	130.6 Å²	130.6	79%	0.791	84%	0.838	S	S	*	*			trans	-100	152.2	-155.7	-39.5	-102	0	0	0	114.4
21	V	46.6	Very low	36.1	Very low	152 Å²	152	131.6 Å²	131.6	92%	0.921	83%	0.831	S	S	*	*			trans	-147.5	140	147.5	-175.5	0	0	0	0	109.8
22	D	37	Very low	36.4	Very low	161 Å²	161	130.7 Å²	130.7	86%	0.861	83%	0.828	S	S	*	*			trans	-79.6	161	-175.9	-107.9	-68.2	0	0	0	117
23	G	34	Very low	37.4	Very low	77 Å²	77	129.9 Å²	129.9	79%	0.794	82%	0.815	S	S	*	*			trans	82.9	115.2	136.2	0	0	0	0	0	120.6
24	G	35.2	Very low	38.4	Very low	83 Å²	83	125.4 Å²	125.4	86%	0.856	79%	0.787	S	S	*	*			trans	175.6	85.1	168.5	0	0	0	0	0	115.8
25	S	35	Very low	39.8	Very low	118 Å²	118	122.1 Å²	122.1	83%	0.825	77%	0.772	S	S	*	*			trans	-65.5	141.9	-172.8	-50.5	0	0	0	0	116.6
26	S	34.7	Very low	41.5	Very low	117 Å²	117	117.7 Å²	117.7	82%	0.818	75%	0.751	S	S	*	*			trans	19.1	158.6	135.7	-55.1	0	0	0	0	122.5
27	P	38.5	Very low	42.8	Very low	120 Å²	120	118.8 Å²	118.8	78%	0.779	74%	0.74	S	S	*	*			cis	-132.2	-173.7	13.3	40.8	-22.5	0	0	0	115.8
28	S	31.3	Very low	44.4	Very low	112 Å²	112	116.4 Å²	116.4	78%	0.783	72%	0.721	S	S	*	*			trans	-95	137.8	-177.7	55.1	0	0	0	0	114.4
29	D	32.1	Very low	45.9	Very low	157 Å²	157	115.3 Å²	115.3	84%	0.84	70%	0.703	S	S	*	*			trans	-142.5	107.1	169.7	-100.2	-46.4	0	0	0	115.2	N31	D29-N31 PolarHBondContact O-N 3.07Å
30	G	31.4	Very low	46.9	Very low	89 Å²	89	115.2 Å²	115.2	92%	0.918	70%	0.697	S	S	*	*	S	Bend	trans	70.8	-17.1	130.7	0	0	0	0	0	123.5
31	N	38.5	Very low	48.2	Very low	112 Å²	112	117.5 Å²	117.5	60%	0.599	70%	0.7	S	S	*	*			trans	-117.7	78	-166.8	-170.3	17.3	0	0	0	116.2	D29 N33	D29-N31 PolarHBondContact O-N 3.07Å; N31-N33 VanDerWaalsContact C-N 3.3Å; N31-N33 PolarHBondContact O-N 2.97Å
32	S	45	Very low	49.3	Very low	116 Å²	116	114.4 Å²	114.4	81%	0.811	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	8.6	-177.4	55.3	0	0	0	0	116.7
33	N	52.9	Low	50.9	Low	95 Å²	95	109.1 Å²	109.1	51%	0.508	67%	0.665	S	S	.	*	T	Hydrogen-bonded Turn	trans	-117.3	7.2	-170.3	-99.3	-56.9	0	0	0	116	N31	N31-N33 VanDerWaalsContact C-N 3.3Å; N31-N33 PolarHBondContact O-N 2.97Å
34	V	58.3	Low	52.7	Low	51 Å²	51	107.6 Å²	107.6	31%	0.309	64%	0.641	S	S	.	*			trans	-123.5	104.6	-177	-177.6	0	0	0	0	111.5	Y47 F61	V34-Y47 HydrophobicContact CG1-CD1 4.39Å; V34-F61 HydrophobicContact CB-CE1 4.49Å; V34-F61 HydrophobicContact CG1-CE1 3.81Å; V34-F61 HydrophobicContact CG1-CZ 4.26Å; V34-F61 HydrophobicContact CG2-CE1 4.07Å
35	H	62.1	Low	54.9	Low	116 Å²	116	105.5 Å²	105.5	54%	0.537	61%	0.612	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.6	115.6	165.9	-83.1	-104.3	0	0	0	110.1	Y37 V48	H35-Y37 HydrophobicContact CB-CD2 4.39Å; H35-Y37 HydrophobicContact CB-CE2 3.79Å; H35-Y37 PolarHBondContact ND1-OH 3.41Å; H35-V48 HydrophobicContact CB-CB 4.32Å; H35-V48 PolarHBondContact O-N 3.39Å
36	Q	72.5	Confident	57.1	Low	106 Å²	106	101.9 Å²	101.9	50%	0.495	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.4	118.6	171.5	178.1	176.9	-31.5	0	0	109	Y47	Q36-Y47 HydrophobicContact CB-CD1 4.36Å; Q36-Y47 HydrophobicContact CB-CE1 4.42Å; Q36-Y47 HydrophobicContact CG-CD1 4.33Å; Q36-Y47 HydrophobicContact CG-CE1 4.05Å
37	Y	65.9	Low	59.5	Low	127 Å²	127	97.3 Å²	97.3	50%	0.498	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	115.2	173.1	-68	-88.1	0	0	0	109.4	H35 T46 V48	H35-Y37 HydrophobicContact CB-CD2 4.39Å; H35-Y37 HydrophobicContact CB-CE2 3.79Å; H35-Y37 PolarHBondContact ND1-OH 3.41Å; Y37-T46 PolarHBondContact N-O 3.13Å; Y37-T46 PolarHBondContact O-N 3.04Å; Y37-T46 PolarHBondContact O-OG1 3.27Å; Y37-V48 HydrophobicContact CD2-CB 4.23Å; Y37-V48 HydrophobicContact CD2-CG2 3.6Å; Y37-V48 HydrophobicContact CE2-CB 4.2Å; Y37-V48 HydrophobicContact CE2-CG2 3.96Å
38	F	69.3	Low	61.6	Low	124 Å²	124	93.4 Å²	93.4	54%	0.544	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	124.4	168	-177.9	-111.8	0	0	0	109.1	E40 T45	F38-E40 HydrophobicContact CD1-CG 3.88Å; F38-E40 HydrophobicContact CE1-CB 4.41Å; F38-E40 HydrophobicContact CE1-CG 3.97Å; F38-T45 HydrophobicContact CD2-CG2 3.84Å
39	N	64.6	Low	64.1	Low	70 Å²	70	88.2 Å²	88.2	37%	0.374	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	98	174	-175.6	-10.9	0	0	0	109.4	K41 T42 G43 V44	N39-K41 PolarHBondContact O-N 3.18Å; N39-K41 PolarHBondContact OD1-N 3.11Å; N39-K41 VanDerWaalsContact OD1-N 3.11Å; N39-T42 PolarHBondContact O-N 3.06Å; N39-G43 PolarHBondContact O-N 3.32Å; N39-V44 PolarHBondContact N-O 2.92Å
40	E	64.1	Low	66.1	Low	168 Å²	168	86.6 Å²	86.6	79%	0.785	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-29.8	179.5	-60.3	173.3	152.6	0	0	113.2	F38 T42	F38-E40 HydrophobicContact CD1-CG 3.88Å; F38-E40 HydrophobicContact CE1-CB 4.41Å; F38-E40 HydrophobicContact CE1-CG 3.97Å; E40-T42 VanDerWaalsContact C-N 3.34Å
41	K	63.4	Low	68.4	Low	196 Å²	196	85.7 Å²	85.7	85%	0.852	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.3	-178	-59.2	-176.1	-179.7	-178.8	0	114	N39	N39-K41 PolarHBondContact O-N 3.18Å; N39-K41 PolarHBondContact OD1-N 3.11Å; N39-K41 VanDerWaalsContact OD1-N 3.11Å
42	T	70.4	Confident	70.2	Confident	87 Å²	87	83.2 Å²	83.2	53%	0.534	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-11.1	175.8	65.4	0	0	0	0	113.8	N39 E40 V44	N39-T42 PolarHBondContact O-N 3.06Å; E40-T42 VanDerWaalsContact C-N 3.34Å; T42-V44 PolarHBondContact O-N 3.25Å; T42-V44 PolarHBondContact OG1-N 3.5Å
43	G	68.9	Low	72	Confident	50 Å²	50	81.3 Å²	81.3	52%	0.515	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	4.6	-172.4	0	0	0	0	0	114.3	N39	N39-G43 PolarHBondContact O-N 3.32Å
44	V	73.6	Confident	73.5	Confident	45 Å²	45	80.8 Å²	80.8	27%	0.273	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	128.9	-174.3	-176.6	0	0	0	0	110.6	N39 T42 T46 E56	N39-V44 PolarHBondContact N-O 2.92Å; T42-V44 PolarHBondContact O-N 3.25Å; T42-V44 PolarHBondContact OG1-N 3.5Å; V44-T46 HydrophobicContact CG1-CG2 4.34Å; V44-E56 HydrophobicContact CG1-CB 3.74Å; V44-E56 HydrophobicContact CG1-CG 3.68Å
45	T	80	Confident	74.7	Confident	40 Å²	40	80.6 Å²	80.6	25%	0.245	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	125.5	166.1	49.3	0	0	0	0	109.6	F38 E56	F38-T45 HydrophobicContact CD2-CG2 3.84Å; T45-E56 WeakPolarHBondContact O-CA 3.49Å
46	T	82.4	Confident	75.7	Confident	41 Å²	41	81.6 Å²	81.6	25%	0.252	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.1	175.3	54.8	0	0	0	0	109.7	Y37 V44 E56	Y37-T46 PolarHBondContact N-O 3.13Å; Y37-T46 PolarHBondContact O-N 3.04Å; Y37-T46 PolarHBondContact O-OG1 3.27Å; V44-T46 HydrophobicContact CG1-CG2 4.34Å; T46-E56 HydrophobicContact CG2-CG 4.3Å
47	Y	84.2	Confident	76.2	Confident	21 Å²	21	78.6 Å²	78.6	8%	0.082	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.3	179.1	-58	-91.4	0	0	0	108.9	V34 Q36 T54 N55 K58 F61	V34-Y47 HydrophobicContact CG1-CD1 4.39Å; Q36-Y47 HydrophobicContact CB-CD1 4.36Å; Q36-Y47 HydrophobicContact CB-CE1 4.42Å; Q36-Y47 HydrophobicContact CG-CD1 4.33Å; Q36-Y47 HydrophobicContact CG-CE1 4.05Å; Y47-T54 CarbonylContact O-C 3.57Å; Y47-T54 WeakPolarHBondContact O-CA 3.47Å; Y47-N55 WeakPolarHBondContact CD2-O 3.47Å; Y47-N55 PolarHBondContact N-O 3.16Å; Y47-N55 PolarHBondContact O-N 2.84Å; Y47-K58 HydrophobicContact CD2-CB 4.38Å; Y47-K58 HydrophobicContact CE1-CB 4.37Å; Y47-K58 HydrophobicContact CE1-CD 4.21Å; Y47-K58 HydrophobicContact CE1-CG 4.09Å; Y47-K58 HydrophobicContact CE2-CB 3.76Å; Y47-K58 HydrophobicContact CE2-CG 4.38Å; Y47-F61 HydrophobicContact CD1-CD1 4.32Å; Y47-F61 HydrophobicContact CG-CB 4.17Å; Y47-F61 HydrophobicContact CG-CD1 4.21Å; Y47-F61 HydrophobicContact CG-CG 4.05Å
48	V	83.2	Confident	76.9	Confident	38 Å²	38	79.2 Å²	79.2	23%	0.23	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.9	-172.5	-179.4	0	0	0	0	110	H35 Y37 T54	H35-V48 HydrophobicContact CB-CB 4.32Å; H35-V48 PolarHBondContact O-N 3.39Å; Y37-V48 HydrophobicContact CD2-CB 4.23Å; Y37-V48 HydrophobicContact CD2-CG2 3.6Å; Y37-V48 HydrophobicContact CE2-CB 4.2Å; Y37-V48 HydrophobicContact CE2-CG2 3.96Å; V48-T54 HydrophobicContact CB-CG2 4.47Å; V48-T54 HydrophobicContact CG1-CG2 4.23Å; V48-T54 HydrophobicContact CG2-CG2 3.92Å
49	C	83.1	Confident	77.5	Confident	4 Å²	4	80.4 Å²	80.4	3%	0.027	44%	0.435	C	S	.	.			trans	-97.1	148	176.8	171.2	0	0	0	0	110.6	C51 G52 F53 F61 H64 M65 H68	C49-C51 PolarHBondContact O-N 3Å; C49-C51 PolarHBondContact SG-N 2.87Å; C49-C51 VanDerWaalsContact SG-SG 3.64Å; C49-G52 PolarHBondContact O-N 3.07Å; C49-F53 HydrophobicContact CB-CB 4.23Å; C49-F53 WeakPolarHBondContact CB-O 3.44Å; C49-F53 PolarHBondContact N-O 3.25Å; C49-F61 HydrophobicContact CB-CE2 3.91Å; C49-F61 HydrophobicContact CB-CZ 4.44Å; C49-H64 PolarHBondContact SG-NE2 3.01Å; C49-M65 HydrophobicContact CB-CE 3.6Å; C49-M65 WeakPolarHBondContact SG-CE 3.33Å; C49-H68 PolarHBondContact SG-NE2 2.97Å
50	H	75.2	Confident	78.3	Confident	122 Å²	122	82.1 Å²	82.1	57%	0.565	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-23.1	168.8	57.1	81.2	0	0	0	114.9	H68	H50-H68 AromaticContact CE1-CD2 3.79Å; H50-H68 AromaticContact CE1-CE1 3.61Å; H50-H68 AromaticContact CE1-CG 3.7Å; H50-H68 AromaticContact CE1-ND1 3.61Å; H50-H68 AromaticContact CE1-NE2 3.74Å; H50-H68 AromaticContact NE2-CD2 3.66Å; H50-H68 AromaticContact NE2-CG 3.83Å; H50-H68 AromaticContact NE2-NE2 3.91Å
51	C	79.1	Confident	79.2	Confident	71 Å²	71	74.4 Å²	74.4	48%	0.48	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	9.1	174.5	90.4	0	0	0	0	114.5	C49 F53 H64	C49-C51 PolarHBondContact O-N 3Å; C49-C51 PolarHBondContact SG-N 2.87Å; C49-C51 VanDerWaalsContact SG-SG 3.64Å; C51-F53 VanDerWaalsContact C-N 3.33Å; C51-F53 PolarHBondContact O-N 3.01Å; C51-H64 PolarHBondContact SG-CE1 2.86Å; C51-H64 PolarHBondContact SG-NE2 2.81Å; C51-H64 VanDerWaalsContact SG-NE2 3.39Å
52	G	76.3	Confident	80	Confident	60 Å²	60	69.5 Å²	69.5	62%	0.619	39%	0.387	S	S	*	.	S	Bend	trans	78.8	6.8	-179.5	0	0	0	0	0	115.5	C49	C49-G52 PolarHBondContact O-N 3.07Å
53	F	82.1	Confident	80.4	Confident	75 Å²	75	68 Å²	68	33%	0.329	38%	0.38	S	S	.	.			trans	-75.6	127.5	170	-179.8	-95.5	0	0	0	110	C49 C51 N55 H64	C49-F53 HydrophobicContact CB-CB 4.23Å; C49-F53 WeakPolarHBondContact CB-O 3.44Å; C49-F53 PolarHBondContact N-O 3.25Å; C51-F53 VanDerWaalsContact C-N 3.33Å; C51-F53 PolarHBondContact O-N 3.01Å; F53-N55 HydrophobicContact CE1-CB 3.88Å; F53-N55 HydrophobicContact CZ-CB 4.27Å; F53-H64 WeakPolarHBondContact CB-NE2 3.44Å; F53-H64 HydrophobicContact CD1-CB 3.72Å; F53-H64 AromaticContact CD1-CD2 3.31Å; F53-H64 WeakPolarHBondContact CD1-CD2 3.29Å; F53-H64 AromaticContact CD1-CG 3.33Å; F53-H64 AromaticContact CD1-ND1 3.94Å; F53-H64 AromaticContact CD1-NE2 3.92Å; F53-H64 HydrophobicContact CE1-CB 3.55Å; F53-H64 AromaticContact CE1-CG 3.71Å; F53-H64 HydrophobicContact CG-CB 4.45Å; F53-H64 AromaticContact CG-CD2 3.71Å; F53-H64 AromaticContact CG-CE1 3.89Å; F53-H64 AromaticContact CG-CG 3.71Å; F53-H64 AromaticContact CG-ND1 3.83Å; F53-H64 AromaticContact CG-NE2 3.82Å; F53-H64 HydrophobicContact CZ-CB 4.19Å
54	T	85.1	Confident	81	Confident	85 Å²	85	66.8 Å²	66.8	52%	0.521	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146.3	176	65.4	0	0	0	0	110.7	Y47 V48	Y47-T54 CarbonylContact O-C 3.57Å; Y47-T54 WeakPolarHBondContact O-CA 3.47Å; V48-T54 HydrophobicContact CB-CG2 4.47Å; V48-T54 HydrophobicContact CG1-CG2 4.23Å; V48-T54 HydrophobicContact CG2-CG2 3.92Å
55	N	83.9	Confident	81.3	Confident	46 Å²	46	66 Å²	66	25%	0.246	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	146.5	171.3	-144	-87.9	0	0	0	113.1	Y47 F53 S57 H60 F61	Y47-N55 WeakPolarHBondContact CD2-O 3.47Å; Y47-N55 PolarHBondContact N-O 3.16Å; Y47-N55 PolarHBondContact O-N 2.84Å; F53-N55 HydrophobicContact CE1-CB 3.88Å; F53-N55 HydrophobicContact CZ-CB 4.27Å; N55-S57 WeakPolarHBondContact OD1-CB 3.43Å; N55-S57 PolarHBondContact OD1-N 3.25Å; N55-H60 HydrophobicContact CB-CB 4.44Å; N55-H60 WeakPolarHBondContact OD1-CB 3.46Å; N55-F61 HydrophobicContact CB-CB 4.45Å
56	E	82.7	Confident	80.9	Confident	138 Å²	138	68.4 Å²	68.4	65%	0.645	37%	0.367	S	S	*	.	S	Bend	trans	-77.8	-28	173.6	-55.8	170.2	164	0	0	111.3	V44 T45 T46	V44-E56 HydrophobicContact CG1-CB 3.74Å; V44-E56 HydrophobicContact CG1-CG 3.68Å; T45-E56 WeakPolarHBondContact O-CA 3.49Å; T46-E56 HydrophobicContact CG2-CG 4.3Å
57	S	82.1	Confident	80.4	Confident	43 Å²	43	68.2 Å²	68.2	30%	0.301	37%	0.365	S	S	.	.			trans	-93.5	112.5	-177.4	179.7	0	0	0	0	111.1	N55 F59 H60 F61	N55-S57 WeakPolarHBondContact OD1-CB 3.43Å; N55-S57 PolarHBondContact OD1-N 3.25Å; S57-F59 PolarHBondContact O-N 2.85Å; S57-F59 VanDerWaalsContact O-N 3.09Å; S57-H60 WeakPolarHBondContact CB-ND1 3.32Å; S57-H60 PolarHBondContact O-N 3.33Å; S57-H60 PolarHBondContact OG-ND1 3.13Å; S57-F61 PolarHBondContact O-N 3.01Å
58	K	82.3	Confident	79.7	Confident	139 Å²	139	70.9 Å²	70.9	60%	0.604	38%	0.378	S	S	*	.	H	α-helix	trans	-51.2	-33	173	-168	172.5	-177.5	171.5	0	112.7	Y47 N62	Y47-K58 HydrophobicContact CD2-CB 4.38Å; Y47-K58 HydrophobicContact CE1-CB 4.37Å; Y47-K58 HydrophobicContact CE1-CD 4.21Å; Y47-K58 HydrophobicContact CE1-CG 4.09Å; Y47-K58 HydrophobicContact CE2-CB 3.76Å; Y47-K58 HydrophobicContact CE2-CG 4.38Å; K58-N62 WeakPolarHBondContact O-CB 3.39Å; K58-N62 PolarHBondContact O-N 3.4Å
59	F	81.1	Confident	78.9	Confident	150 Å²	150	71.4 Å²	71.4	66%	0.658	39%	0.386	S	S	*	.	H	α-helix	trans	-66.4	-45.1	175	178.6	-92.7	0	0	0	112.9	S57 S63	S57-F59 PolarHBondContact O-N 2.85Å; S57-F59 VanDerWaalsContact O-N 3.09Å; F59-S63 VanDerWaalsContact O-CB 3.29Å; F59-S63 WeakPolarHBondContact O-CB 3.48Å; F59-S63 PolarHBondContact O-N 2.92Å; F59-S63 PolarHBondContact O-OG 3.4Å
60	H	80.4	Confident	78.3	Confident	105 Å²	105	74.9 Å²	74.9	49%	0.486	41%	0.405	S	S	.	.	H	α-helix	trans	-71.1	-34.8	176.7	-71.3	84.7	0	0	0	111.6	N55 S57 H64	N55-H60 HydrophobicContact CB-CB 4.44Å; N55-H60 WeakPolarHBondContact OD1-CB 3.46Å; S57-H60 WeakPolarHBondContact CB-ND1 3.32Å; S57-H60 PolarHBondContact O-N 3.33Å; S57-H60 PolarHBondContact OG-ND1 3.13Å; H60-H64 WeakPolarHBondContact O-CB 3.45Å; H60-H64 PolarHBondContact O-N 3Å
61	F	83.7	Confident	78.4	Confident	7 Å²	7	72.3 Å²	72.3	3%	0.031	39%	0.393	C	S	.	.	H	α-helix	trans	-63.6	-48.3	172.1	-175.5	-100.3	0	0	0	112	V34 Y47 C49 N55 S57 S63 H64 M65	V34-F61 HydrophobicContact CB-CE1 4.49Å; V34-F61 HydrophobicContact CG1-CE1 3.81Å; V34-F61 HydrophobicContact CG1-CZ 4.26Å; V34-F61 HydrophobicContact CG2-CE1 4.07Å; Y47-F61 HydrophobicContact CD1-CD1 4.32Å; Y47-F61 HydrophobicContact CG-CB 4.17Å; Y47-F61 HydrophobicContact CG-CD1 4.21Å; Y47-F61 HydrophobicContact CG-CG 4.05Å; C49-F61 HydrophobicContact CB-CE2 3.91Å; C49-F61 HydrophobicContact CB-CZ 4.44Å; N55-F61 HydrophobicContact CB-CB 4.45Å; S57-F61 PolarHBondContact O-N 3.01Å; F61-S63 VanDerWaalsContact C-N 3.32Å; F61-S63 PolarHBondContact O-N 3.43Å; F61-H64 CarbonylContact O-C 3.54Å; F61-H64 WeakPolarHBondContact O-CA 3.36Å; F61-H64 WeakPolarHBondContact O-CB 3.32Å; F61-H64 PolarHBondContact O-N 3.22Å; F61-M65 HydrophobicContact CD1-CG 3.91Å; F61-M65 HydrophobicContact CE1-CE 4.06Å; F61-M65 HydrophobicContact CE1-CG 3.54Å; F61-M65 HydrophobicContact CE1-SD 3.75Å; F61-M65 HydrophobicContact CE2-CE 3.9Å; F61-M65 HydrophobicContact CZ-CE 3.53Å; F61-M65 HydrophobicContact CZ-CG 4.05Å; F61-M65 HydrophobicContact CZ-SD 3.76Å; F61-M65 PolarHBondContact O-N 2.85Å
62	N	80.3	Confident	78.5	Confident	92 Å²	92	75.4 Å²	75.4	49%	0.492	40%	0.398	S	S	.	.	H	α-helix	trans	-66.7	-36	177.9	-158.8	28.1	0	0	0	111.8	K58 H64 M65 N66	K58-N62 WeakPolarHBondContact O-CB 3.39Å; K58-N62 PolarHBondContact O-N 3.4Å; N62-H64 PolarHBondContact O-N 3.24Å; N62-M65 PolarHBondContact O-N 2.96Å; N62-N66 WeakPolarHBondContact O-CB 3.11Å; N62-N66 PolarHBondContact O-N 3.17Å
63	S	79.3	Confident	78.9	Confident	55 Å²	55	73.1 Å²	73.1	39%	0.385	37%	0.373	S	S	.	.	H	α-helix	trans	-60.5	-24.5	169.6	-60.6	0	0	0	0	113	F59 F61	F59-S63 VanDerWaalsContact O-CB 3.29Å; F59-S63 WeakPolarHBondContact O-CB 3.48Å; F59-S63 PolarHBondContact O-N 2.92Å; F59-S63 PolarHBondContact O-OG 3.4Å; F61-S63 VanDerWaalsContact C-N 3.32Å; F61-S63 PolarHBondContact O-N 3.43Å
64	H	81.2	Confident	78.9	Confident	25 Å²	25	76.7 Å²	76.7	12%	0.116	40%	0.395	C	S	.	.	H	α-helix	trans	-88.5	-35.2	173.6	171.4	71.8	0	0	0	112.9	C49 C51 F53 H60 F61 N62 N66 T67 H68	C49-H64 PolarHBondContact SG-NE2 3.01Å; C51-H64 PolarHBondContact SG-CE1 2.86Å; C51-H64 PolarHBondContact SG-NE2 2.81Å; C51-H64 VanDerWaalsContact SG-NE2 3.39Å; F53-H64 WeakPolarHBondContact CB-NE2 3.44Å; F53-H64 HydrophobicContact CD1-CB 3.72Å; F53-H64 AromaticContact CD1-CD2 3.31Å; F53-H64 WeakPolarHBondContact CD1-CD2 3.29Å; F53-H64 AromaticContact CD1-CG 3.33Å; F53-H64 AromaticContact CD1-ND1 3.94Å; F53-H64 AromaticContact CD1-NE2 3.92Å; F53-H64 HydrophobicContact CE1-CB 3.55Å; F53-H64 AromaticContact CE1-CG 3.71Å; F53-H64 HydrophobicContact CG-CB 4.45Å; F53-H64 AromaticContact CG-CD2 3.71Å; F53-H64 AromaticContact CG-CE1 3.89Å; F53-H64 AromaticContact CG-CG 3.71Å; F53-H64 AromaticContact CG-ND1 3.83Å; F53-H64 AromaticContact CG-NE2 3.82Å; F53-H64 HydrophobicContact CZ-CB 4.19Å; H60-H64 WeakPolarHBondContact O-CB 3.45Å; H60-H64 PolarHBondContact O-N 3Å; F61-H64 CarbonylContact O-C 3.54Å; F61-H64 WeakPolarHBondContact O-CA 3.36Å; F61-H64 WeakPolarHBondContact O-CB 3.32Å; F61-H64 PolarHBondContact O-N 3.22Å; N62-H64 PolarHBondContact O-N 3.24Å; H64-N66 VanDerWaalsContact C-N 3.28Å; H64-N66 PolarHBondContact O-N 2.89Å; H64-T67 PolarHBondContact ND1-OG1 3.45Å; H64-T67 WeakPolarHBondContact O-CA 3.27Å; H64-T67 WeakPolarHBondContact O-CB 3.41Å; H64-T67 PolarHBondContact O-N 3.39Å; H64-T67 PolarHBondContact O-OG1 3.25Å; H64-H68 AromaticContact CD2-NE2 3.83Å; H64-H68 AromaticContact CE1-CE1 3.92Å; H64-H68 AromaticContact CE1-NE2 3.33Å; H64-H68 PolarHBondContact CE1-NE2 2.84Å; H64-H68 VanDerWaalsContact CE1-NE2 3.33Å; H64-H68 AromaticContact NE2-CD2 3.88Å; H64-H68 AromaticContact NE2-CE1 3.88Å; H64-H68 AromaticContact NE2-NE2 2.96Å; H64-H68 PolarHBondContact NE2-NE2 3.33Å
65	M	79.1	Confident	78.9	Confident	30 Å²	30	77.8 Å²	77.8	15%	0.148	40%	0.397	C	S	.	.	H	α-helix	trans	-57.3	-43.3	169.1	-68	-70.2	97.2	0	0	111.1	C49 F61 N62 T67 H68 A69	C49-M65 HydrophobicContact CB-CE 3.6Å; C49-M65 WeakPolarHBondContact SG-CE 3.33Å; F61-M65 HydrophobicContact CD1-CG 3.91Å; F61-M65 HydrophobicContact CE1-CE 4.06Å; F61-M65 HydrophobicContact CE1-CG 3.54Å; F61-M65 HydrophobicContact CE1-SD 3.75Å; F61-M65 HydrophobicContact CE2-CE 3.9Å; F61-M65 HydrophobicContact CZ-CE 3.53Å; F61-M65 HydrophobicContact CZ-CG 4.05Å; F61-M65 HydrophobicContact CZ-SD 3.76Å; F61-M65 PolarHBondContact O-N 2.85Å; N62-M65 PolarHBondContact O-N 2.96Å; M65-T67 PolarHBondContact O-N 3.47Å; M65-H68 PolarHBondContact O-N 2.92Å; M65-A69 PolarHBondContact O-N 3.33Å
66	N	71.9	Confident	79	Confident	90 Å²	90	78.1 Å²	78.1	48%	0.481	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	2.2	170	-68.4	-2.5	0	0	0	114.1	N62 H64	N62-N66 WeakPolarHBondContact O-CB 3.11Å; N62-N66 PolarHBondContact O-N 3.17Å; H64-N66 VanDerWaalsContact C-N 3.28Å; H64-N66 PolarHBondContact O-N 2.89Å
67	T	71.5	Confident	79.1	Confident	36 Å²	36	79.5 Å²	79.5	22%	0.221	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-5.5	169.5	72.9	0	0	0	0	115.9	H64 M65 R81	H64-T67 PolarHBondContact ND1-OG1 3.45Å; H64-T67 WeakPolarHBondContact O-CA 3.27Å; H64-T67 WeakPolarHBondContact O-CB 3.41Å; H64-T67 PolarHBondContact O-N 3.39Å; H64-T67 PolarHBondContact O-OG1 3.25Å; M65-T67 PolarHBondContact O-N 3.47Å; T67-R81 VanDerWaalsContact CB-NE 3.29Å; T67-R81 VanDerWaalsContact CB-NH2 3.27Å; T67-R81 HydrophobicContact CG2-CG 4.35Å; T67-R81 PolarHBondContact OG1-NH2 3.22Å
68	H	70.5	Confident	79.2	Confident	77 Å²	77	81.1 Å²	81.1	36%	0.356	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-22.9	163.4	-55.5	-68.2	0	0	0	111.4	C49 H50 H64 M65 D70	C49-H68 PolarHBondContact SG-NE2 2.97Å; H50-H68 AromaticContact CE1-CD2 3.79Å; H50-H68 AromaticContact CE1-CE1 3.61Å; H50-H68 AromaticContact CE1-CG 3.7Å; H50-H68 AromaticContact CE1-ND1 3.61Å; H50-H68 AromaticContact CE1-NE2 3.74Å; H50-H68 AromaticContact NE2-CD2 3.66Å; H50-H68 AromaticContact NE2-CG 3.83Å; H50-H68 AromaticContact NE2-NE2 3.91Å; H64-H68 AromaticContact CD2-NE2 3.83Å; H64-H68 AromaticContact CE1-CE1 3.92Å; H64-H68 AromaticContact CE1-NE2 3.33Å; H64-H68 PolarHBondContact CE1-NE2 2.84Å; H64-H68 VanDerWaalsContact CE1-NE2 3.33Å; H64-H68 AromaticContact NE2-CD2 3.88Å; H64-H68 AromaticContact NE2-CE1 3.88Å; H64-H68 AromaticContact NE2-NE2 2.96Å; H64-H68 PolarHBondContact NE2-NE2 3.33Å; M65-H68 PolarHBondContact O-N 2.92Å; H68-D70 VanDerWaalsContact C-N 3.29Å; H68-D70 PolarHBondContact O-N 3.26Å
69	A	65.3	Low	79.2	Confident	49 Å²	49	77.5 Å²	77.5	41%	0.405	40%	0.404	S	S	.	.			trans	-70.7	78.2	168.9	0	0	0	0	0	111.8	M65 H71	M65-A69 PolarHBondContact O-N 3.33Å; A69-H71 PolarHBondContact O-N 2.98Å
70	D	71.7	Confident	79.2	Confident	78 Å²	78	70.6 Å²	70.6	42%	0.417	37%	0.374	S	S	.	.			trans	-72.1	107.5	168.6	-96.6	-21.5	0	0	0	110.1	H68 K72	H68-D70 VanDerWaalsContact C-N 3.29Å; H68-D70 PolarHBondContact O-N 3.26Å; D70-K72 PolarHBondContact O-N 3.42Å; D70-K72 VanDerWaalsContact O-N 3.11Å
71	H	76.2	Confident	78.8	Confident	68 Å²	68	72.5 Å²	72.5	32%	0.315	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	107.1	172.9	-53.7	-96	0	0	0	109.1	A69 S80 T82 E83 L86	A69-H71 PolarHBondContact O-N 2.98Å; H71-S80 WeakPolarHBondContact CB-O 3.36Å; H71-S80 PolarHBondContact CD2-O 3.28Å; H71-S80 PolarHBondContact N-O 3.47Å; H71-S80 PolarHBondContact O-N 3.41Å; H71-S80 PolarHBondContact O-OG 3.02Å; H71-T82 VanDerWaalsContact CD2-C 3.41Å; H71-E83 PolarHBondContact CD2-N 3.3Å; H71-E83 PolarHBondContact NE2-N 2.79Å; H71-E83 VanDerWaalsContact NE2-N 3.11Å; H71-L86 HydrophobicContact CB-CB 4.23Å; H71-L86 HydrophobicContact CB-CD2 3.89Å
72	K	81.5	Confident	78.4	Confident	136 Å²	136	75.9 Å²	75.9	59%	0.591	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	157.7	177.2	-56.6	-177.4	-177.8	-69.3	0	110.8	D70 Y78 T79 L86	D70-K72 PolarHBondContact O-N 3.42Å; D70-K72 VanDerWaalsContact O-N 3.11Å; K72-Y78 CarbonylContact C-O 3.59Å; K72-T79 HydrophobicContact CG-CG2 4.14Å; K72-L86 WeakPolarHBondContact O-CD1 3.37Å; K72-L86 WeakPolarHBondContact O-CD2 3.31Å
73	C	85.3	Confident	78.4	Confident	12 Å²	12	76 Å²	76	8%	0.081	40%	0.395	C	S	.	.			trans	-90.1	135	165.4	167.3	0	0	0	0	108.9	I75 C76 Y78 L86 H89 M90	C73-I75 PolarHBondContact O-N 2.99Å; C73-I75 PolarHBondContact SG-N 3.08Å; C73-C76 VanDerWaalsContact CB-O 3.26Å; C73-C76 WeakPolarHBondContact CB-O 3.34Å; C73-C76 VanDerWaalsContact O-O 3.08Å; C73-C76 PolarHBondContact SG-N 3.15Å; C73-C76 VanDerWaalsContact SG-SG 3.67Å; C73-Y78 VanDerWaalsContact CB-O 3.3Å; C73-Y78 WeakPolarHBondContact CB-O 3.39Å; C73-Y78 PolarHBondContact N-O 3.02Å; C73-L86 HydrophobicContact CB-CD1 3.86Å; C73-H89 PolarHBondContact SG-NE2 3.42Å; C73-M90 HydrophobicContact CB-CE 3.97Å; C73-M90 WeakPolarHBondContact SG-CE 3.36Å
74	D	82.2	Confident	78.5	Confident	149 Å²	149	75.6 Å²	75.6	80%	0.797	40%	0.4	S	S	*	.	S	Bend	trans	-80.7	-1.8	-177.7	-45.4	-59.2	0	0	0	112.7
75	I	84.1	Confident	78.6	Confident	109 Å²	109	80.8 Å²	80.8	56%	0.559	42%	0.419	S	S	*	.	S	Bend	trans	-125	-16.2	-170	-48.7	168.9	0	0	0	111.9	C73 M90 H94	C73-I75 PolarHBondContact O-N 2.99Å; C73-I75 PolarHBondContact SG-N 3.08Å; I75-M90 HydrophobicContact CD1-CE 4.25Å; I75-M90 HydrophobicContact CD1-SD 4.45Å; I75-H94 HydrophobicContact CD1-CB 3.68Å; I75-H94 VanDerWaalsContact CG2-ND1 3.32Å; I75-H94 WeakPolarHBondContact CG2-ND1 3.42Å
76	C	87	Confident	78.9	Confident	52 Å²	52	80.4 Å²	80.4	35%	0.351	42%	0.417	S	S	.	.	S	Bend	trans	-160.8	170.1	171.3	71.8	0	0	0	0	111.8	C73 Y78 H89 H94	C73-C76 VanDerWaalsContact CB-O 3.26Å; C73-C76 WeakPolarHBondContact CB-O 3.34Å; C73-C76 VanDerWaalsContact O-O 3.08Å; C73-C76 PolarHBondContact SG-N 3.15Å; C73-C76 VanDerWaalsContact SG-SG 3.67Å; C76-Y78 PolarHBondContact O-N 3.36Å; C76-H89 PolarHBondContact SG-CE1 2.91Å; C76-H94 PolarHBondContact SG-NE2 3.39Å
77	D	84.4	Confident	79.4	Confident	167 Å²	167	82.6 Å²	82.6	89%	0.893	42%	0.422	S	S	*	.	S	Bend	trans	-64.6	9	-174	-51.2	-43	0	0	0	116.3	T79	D77-T79 PolarHBondContact O-N 2.91Å
78	Y	84.4	Confident	80.1	Confident	78 Å²	78	88 Å²	88	31%	0.306	44%	0.439	S	S	.	.			trans	-69.8	111.1	-179.2	-176.6	-96.1	0	0	0	112	K72 C73 C76 R85 L86 H89	K72-Y78 CarbonylContact C-O 3.59Å; C73-Y78 VanDerWaalsContact CB-O 3.3Å; C73-Y78 WeakPolarHBondContact CB-O 3.39Å; C73-Y78 PolarHBondContact N-O 3.02Å; C76-Y78 PolarHBondContact O-N 3.36Å; Y78-R85 WeakPolarHBondContact OH-CD 3.36Å; Y78-R85 WeakPolarHBondContact OH-CG 3.47Å; Y78-L86 HydrophobicContact CD1-CD1 4.42Å; Y78-H89 HydrophobicContact CD1-CB 3.68Å; Y78-H89 AromaticContact CD1-CD2 3.35Å; Y78-H89 WeakPolarHBondContact CD1-CD2 3.33Å; Y78-H89 AromaticContact CD1-CG 3.29Å; Y78-H89 AromaticContact CD1-ND1 3.78Å; Y78-H89 AromaticContact CD1-NE2 3.87Å; Y78-H89 HydrophobicContact CE1-CB 3.45Å; Y78-H89 VanDerWaalsContact CE1-CB 3.45Å; Y78-H89 AromaticContact CE1-CG 3.64Å; Y78-H89 HydrophobicContact CG-CB 4.38Å; Y78-H89 AromaticContact CG-CD2 3.79Å; Y78-H89 AromaticContact CG-CE1 3.74Å; Y78-H89 AromaticContact CG-CG 3.66Å; Y78-H89 AromaticContact CG-ND1 3.62Å; Y78-H89 AromaticContact CG-NE2 3.84Å
79	T	82.7	Confident	80.9	Confident	63 Å²	63	84.8 Å²	84.8	39%	0.387	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	150.3	169.7	72.9	0	0	0	0	111.9	K72 D77	K72-T79 HydrophobicContact CG-CG2 4.14Å; D77-T79 PolarHBondContact O-N 2.91Å
80	S	80.5	Confident	81.8	Confident	5 Å²	5	84.6 Å²	84.6	4%	0.035	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	133.4	175	67.9	0	0	0	0	115	H71 T82 L86	H71-S80 WeakPolarHBondContact CB-O 3.36Å; H71-S80 PolarHBondContact CD2-O 3.28Å; H71-S80 PolarHBondContact N-O 3.47Å; H71-S80 PolarHBondContact O-N 3.41Å; H71-S80 PolarHBondContact O-OG 3.02Å; S80-T82 PolarHBondContact O-N 2.95Å; S80-T82 PolarHBondContact OG-O 3.4Å; S80-L86 WeakPolarHBondContact OG-CB 3.44Å; S80-L86 PolarHBondContact OG-N 3.31Å
81	R	73	Confident	82.6	Confident	145 Å²	145	88.6 Å²	88.6	55%	0.547	43%	0.429	S	S	.	.	S	Bend	trans	-67.9	8.2	179.2	-158.1	175.1	179.5	142.6	7.8	115.8	T67	T67-R81 VanDerWaalsContact CB-NE 3.29Å; T67-R81 VanDerWaalsContact CB-NH2 3.27Å; T67-R81 HydrophobicContact CG2-CG 4.35Å; T67-R81 PolarHBondContact OG1-NH2 3.22Å
82	T	75.4	Confident	82.9	Confident	78 Å²	78	91.6 Å²	91.6	48%	0.479	44%	0.443	S	S	.	.	S	Bend	trans	-156.2	134.6	169.7	51.3	0	0	0	0	111.7	H71 S80 G84 R85 L86	H71-T82 VanDerWaalsContact CD2-C 3.41Å; S80-T82 PolarHBondContact O-N 2.95Å; S80-T82 PolarHBondContact OG-O 3.4Å; T82-G84 VanDerWaalsContact C-N 3.29Å; T82-G84 PolarHBondContact O-N 2.97Å; T82-R85 WeakPolarHBondContact O-CA 3.49Å; T82-R85 WeakPolarHBondContact O-CB 3.32Å; T82-R85 PolarHBondContact O-N 3.45Å; T82-L86 PolarHBondContact O-N 3.02Å
83	E	79.8	Confident	82.9	Confident	93 Å²	93	92 Å²	92	44%	0.435	45%	0.445	S	S	.	.	H	α-helix	trans	-49.6	-43.6	176.5	-167	-148.5	147.1	0	0	113.5	H71 R85 L86 K87	H71-E83 PolarHBondContact CD2-N 3.3Å; H71-E83 PolarHBondContact NE2-N 2.79Å; H71-E83 VanDerWaalsContact NE2-N 3.11Å; E83-R85 PolarHBondContact O-N 2.81Å; E83-R85 VanDerWaalsContact O-N 3.11Å; E83-L86 CarbonylContact O-C 3.51Å; E83-L86 WeakPolarHBondContact O-CB 3.44Å; E83-L86 PolarHBondContact O-N 3.47Å; E83-K87 HydrophobicContact CG-CD 4.44Å; E83-K87 PolarHBondContact O-N 3.31Å; E83-K87 WeakPolarHBondContact OE1-CD 3.48Å; E83-K87 WeakPolarHBondContact OE1-CE 3.37Å; E83-K87 IonicContact OE1-NZ 2.61Å; E83-K87 PolarHBondContact OE1-NZ 3.49Å
84	G	81.8	Confident	82.8	Confident	47 Å²	47	93.9 Å²	93.9	49%	0.485	45%	0.453	S	S	.	.	H	α-helix	trans	-65.9	-11	177	0	0	0	0	0	114.8	T82	T82-G84 VanDerWaalsContact C-N 3.29Å; T82-G84 PolarHBondContact O-N 2.97Å
85	R	83	Confident	82.1	Confident	134 Å²	134	90.1 Å²	90.1	51%	0.506	44%	0.438	S	S	.	.	H	α-helix	trans	-89.9	-42.2	169	-160.3	-170.1	-146.5	117.6	-2.3	110.7	Y78 T82 E83 R88 H89	Y78-R85 WeakPolarHBondContact OH-CD 3.36Å; Y78-R85 WeakPolarHBondContact OH-CG 3.47Å; T82-R85 WeakPolarHBondContact O-CA 3.49Å; T82-R85 WeakPolarHBondContact O-CB 3.32Å; T82-R85 PolarHBondContact O-N 3.45Å; E83-R85 PolarHBondContact O-N 2.81Å; E83-R85 VanDerWaalsContact O-N 3.11Å; R85-R88 WeakPolarHBondContact O-CB 3.3Å; R85-R88 PolarHBondContact O-N 3.3Å; R85-H89 PolarHBondContact O-N 3.37Å
86	L	84.2	Confident	80.9	Confident	23 Å²	23	90.5 Å²	90.5	12%	0.12	45%	0.448	C	S	.	.	H	α-helix	trans	-58	-52	171.2	179.5	62.6	0	0	0	111.2	H71 K72 C73 Y78 S80 T82 E83 R88 H89 M90	H71-L86 HydrophobicContact CB-CB 4.23Å; H71-L86 HydrophobicContact CB-CD2 3.89Å; K72-L86 WeakPolarHBondContact O-CD1 3.37Å; K72-L86 WeakPolarHBondContact O-CD2 3.31Å; C73-L86 HydrophobicContact CB-CD1 3.86Å; Y78-L86 HydrophobicContact CD1-CD1 4.42Å; S80-L86 WeakPolarHBondContact OG-CB 3.44Å; S80-L86 PolarHBondContact OG-N 3.31Å; T82-L86 PolarHBondContact O-N 3.02Å; E83-L86 CarbonylContact O-C 3.51Å; E83-L86 WeakPolarHBondContact O-CB 3.44Å; E83-L86 PolarHBondContact O-N 3.47Å; L86-R88 PolarHBondContact O-N 3.24Å; L86-R88 VanDerWaalsContact O-N 3.12Å; L86-H89 CarbonylContact O-C 3.25Å; L86-H89 WeakPolarHBondContact O-CA 3.45Å; L86-H89 WeakPolarHBondContact O-CB 3.49Å; L86-H89 PolarHBondContact O-N 3.41Å; L86-M90 HydrophobicContact CD1-CE 4.34Å; L86-M90 HydrophobicContact CD1-CG 4.35Å; L86-M90 HydrophobicContact CG-CG 4.29Å; L86-M90 WeakPolarHBondContact O-CB 3.43Å; L86-M90 WeakPolarHBondContact O-CG 3.12Å; L86-M90 PolarHBondContact O-N 3.09Å
87	K	83.5	Confident	78.9	Confident	135 Å²	135	90.1 Å²	90.1	59%	0.587	45%	0.452	S	S	*	.	H	α-helix	trans	-56.8	-28.5	176	-80.7	-179.5	166.7	169	0	113.3	E83 K91	E83-K87 HydrophobicContact CG-CD 4.44Å; E83-K87 PolarHBondContact O-N 3.31Å; E83-K87 WeakPolarHBondContact OE1-CD 3.48Å; E83-K87 WeakPolarHBondContact OE1-CE 3.37Å; E83-K87 IonicContact OE1-NZ 2.61Å; E83-K87 PolarHBondContact OE1-NZ 3.49Å; K87-K91 WeakPolarHBondContact O-CB 3.41Å; K87-K91 PolarHBondContact O-N 2.85Å
88	R	85.8	Confident	76.9	Confident	149 Å²	149	92 Å²	92	56%	0.562	45%	0.452	S	S	*	.	H	α-helix	trans	-75.2	-43.8	171.5	-174.1	-179.3	-62.4	116	6.9	112	R85 L86 K91 Q92	R85-R88 WeakPolarHBondContact O-CB 3.3Å; R85-R88 PolarHBondContact O-N 3.3Å; L86-R88 PolarHBondContact O-N 3.24Å; L86-R88 VanDerWaalsContact O-N 3.12Å; R88-K91 PolarHBondContact O-N 2.88Å; R88-Q92 HydrophobicContact CG-CG 4.36Å; R88-Q92 WeakPolarHBondContact O-CB 3.5Å; R88-Q92 VanDerWaalsContact O-CG 3.25Å; R88-Q92 WeakPolarHBondContact O-CG 3.48Å; R88-Q92 PolarHBondContact O-N 3.04Å
89	H	86.8	Confident	74.7	Confident	10 Å²	10	95.2 Å²	95.2	5%	0.046	48%	0.475	C	S	.	.	H	α-helix	trans	-62.5	-48.3	176	159.4	77.2	0	0	0	111.3	C73 C76 Y78 R85 L86 K91 Q92 F93 H94	C73-H89 PolarHBondContact SG-NE2 3.42Å; C76-H89 PolarHBondContact SG-CE1 2.91Å; Y78-H89 HydrophobicContact CD1-CB 3.68Å; Y78-H89 AromaticContact CD1-CD2 3.35Å; Y78-H89 WeakPolarHBondContact CD1-CD2 3.33Å; Y78-H89 AromaticContact CD1-CG 3.29Å; Y78-H89 AromaticContact CD1-ND1 3.78Å; Y78-H89 AromaticContact CD1-NE2 3.87Å; Y78-H89 HydrophobicContact CE1-CB 3.45Å; Y78-H89 VanDerWaalsContact CE1-CB 3.45Å; Y78-H89 AromaticContact CE1-CG 3.64Å; Y78-H89 HydrophobicContact CG-CB 4.38Å; Y78-H89 AromaticContact CG-CD2 3.79Å; Y78-H89 AromaticContact CG-CE1 3.74Å; Y78-H89 AromaticContact CG-CG 3.66Å; Y78-H89 AromaticContact CG-ND1 3.62Å; Y78-H89 AromaticContact CG-NE2 3.84Å; R85-H89 PolarHBondContact O-N 3.37Å; L86-H89 CarbonylContact O-C 3.25Å; L86-H89 WeakPolarHBondContact O-CA 3.45Å; L86-H89 WeakPolarHBondContact O-CB 3.49Å; L86-H89 PolarHBondContact O-N 3.41Å; H89-K91 VanDerWaalsContact C-N 3.34Å; H89-K91 PolarHBondContact O-N 2.98Å; H89-Q92 PolarHBondContact O-N 2.92Å; H89-F93 AromaticContact CE1-CD2 3.9Å; H89-F93 AromaticContact ND1-CD2 3.26Å; H89-F93 VanDerWaalsContact ND1-CD2 3.26Å; H89-F93 WeakPolarHBondContact ND1-CD2 3.48Å; H89-F93 AromaticContact ND1-CE2 3.92Å; H89-F93 AromaticContact ND1-CG 3.92Å; H89-F93 WeakPolarHBondContact O-CD2 3.25Å; H89-F93 PolarHBondContact O-N 2.93Å; H89-H94 AromaticContact CE1-CD2 3.79Å; H89-H94 AromaticContact CE1-NE2 3.47Å; H89-H94 PolarHBondContact CE1-NE2 2.82Å; H89-H94 AromaticContact NE2-CD2 3.38Å; H89-H94 PolarHBondContact NE2-CD2 2.66Å; H89-H94 AromaticContact NE2-NE2 3.29Å; H89-H94 PolarHBondContact NE2-NE2 3.2Å
90	M	85.4	Confident	72.5	Confident	46 Å²	46	100.1 Å²	100.1	23%	0.227	50%	0.498	C	S	.	.	H	α-helix	trans	-44.1	-57.9	167.8	-75.1	-72.4	108.2	0	0	111	C73 I75 L86 Q92 H94 S95	C73-M90 HydrophobicContact CB-CE 3.97Å; C73-M90 WeakPolarHBondContact SG-CE 3.36Å; I75-M90 HydrophobicContact CD1-CE 4.25Å; I75-M90 HydrophobicContact CD1-SD 4.45Å; L86-M90 HydrophobicContact CD1-CE 4.34Å; L86-M90 HydrophobicContact CD1-CG 4.35Å; L86-M90 HydrophobicContact CG-CG 4.29Å; L86-M90 WeakPolarHBondContact O-CB 3.43Å; L86-M90 WeakPolarHBondContact O-CG 3.12Å; L86-M90 PolarHBondContact O-N 3.09Å; M90-Q92 PolarHBondContact O-N 2.88Å; M90-Q92 VanDerWaalsContact O-N 3.14Å; M90-H94 HydrophobicContact CE-CB 4.29Å; M90-H94 CarbonylContact O-C 3.5Å; M90-H94 VanDerWaalsContact O-CA 3.32Å; M90-H94 WeakPolarHBondContact O-CA 3.37Å; M90-H94 PolarHBondContact O-N 3.26Å; M90-H94 HydrophobicContact SD-CB 4.48Å; M90-S95 PolarHBondContact O-N 3.44Å
91	K	86.8	Confident	70.4	Confident	161 Å²	161	105.4 Å²	105.4	70%	0.7	54%	0.535	S	S	*	.	H	α-helix	trans	-67.1	-12.3	179.8	-174.3	160.9	-176.7	163.8	0	115.3	K87 R88 H89	K87-K91 WeakPolarHBondContact O-CB 3.41Å; K87-K91 PolarHBondContact O-N 2.85Å; R88-K91 PolarHBondContact O-N 2.88Å; H89-K91 VanDerWaalsContact C-N 3.34Å; H89-K91 PolarHBondContact O-N 2.98Å
92	Q	82.5	Confident	68.8	Low	131 Å²	131	103.6 Å²	103.6	61%	0.612	55%	0.551	S	S	*	*	H	α-helix	trans	-104.4	-26.1	-178.5	-77.2	-177.5	-38.7	0	0	114	R88 H89 M90	R88-Q92 HydrophobicContact CG-CG 4.36Å; R88-Q92 WeakPolarHBondContact O-CB 3.5Å; R88-Q92 VanDerWaalsContact O-CG 3.25Å; R88-Q92 WeakPolarHBondContact O-CG 3.48Å; R88-Q92 PolarHBondContact O-N 3.04Å; H89-Q92 PolarHBondContact O-N 2.92Å; M90-Q92 PolarHBondContact O-N 2.88Å; M90-Q92 VanDerWaalsContact O-N 3.14Å
93	F	82.6	Confident	66.7	Low	146 Å²	146	103.5 Å²	103.5	64%	0.64	57%	0.566	S	S	*	*	H	α-helix	trans	-126.2	-19.9	-173.7	-63.6	-84.9	0	0	0	113.6	H89	H89-F93 AromaticContact CE1-CD2 3.9Å; H89-F93 AromaticContact ND1-CD2 3.26Å; H89-F93 VanDerWaalsContact ND1-CD2 3.26Å; H89-F93 WeakPolarHBondContact ND1-CD2 3.48Å; H89-F93 AromaticContact ND1-CE2 3.92Å; H89-F93 AromaticContact ND1-CG 3.92Å; H89-F93 WeakPolarHBondContact O-CD2 3.25Å; H89-F93 PolarHBondContact O-N 2.93Å
94	H	82.7	Confident	64.6	Low	51 Å²	51	108.6 Å²	108.6	24%	0.236	59%	0.592	C	S	.	*	S	Bend	trans	-136.6	18.6	-173.6	-52.1	-69.3	0	0	0	112.9	I75 C76 H89 M90 P96	I75-H94 HydrophobicContact CD1-CB 3.68Å; I75-H94 VanDerWaalsContact CG2-ND1 3.32Å; I75-H94 WeakPolarHBondContact CG2-ND1 3.42Å; C76-H94 PolarHBondContact SG-NE2 3.39Å; H89-H94 AromaticContact CE1-CD2 3.79Å; H89-H94 AromaticContact CE1-NE2 3.47Å; H89-H94 PolarHBondContact CE1-NE2 2.82Å; H89-H94 AromaticContact NE2-CD2 3.38Å; H89-H94 PolarHBondContact NE2-CD2 2.66Å; H89-H94 AromaticContact NE2-NE2 3.29Å; H89-H94 PolarHBondContact NE2-NE2 3.2Å; M90-H94 HydrophobicContact CE-CB 4.29Å; M90-H94 CarbonylContact O-C 3.5Å; M90-H94 VanDerWaalsContact O-CA 3.32Å; M90-H94 WeakPolarHBondContact O-CA 3.37Å; M90-H94 PolarHBondContact O-N 3.26Å; M90-H94 HydrophobicContact SD-CB 4.48Å; H94-P96 WeakPolarHBondContact O-CD 3.42Å
95	S	68.7	Low	62.7	Low	70 Å²	70	112.7 Å²	112.7	49%	0.49	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-70.1	118.4	171.2	-133.5	0	0	0	0	106.6	M90 G97	M90-S95 PolarHBondContact O-N 3.44Å; S95-G97 PolarHBondContact O-N 2.94Å; S95-G97 VanDerWaalsContact O-N 3.14Å
96	P	57.3	Low	60.4	Low	117 Å²	117	111.4 Å²	111.4	76%	0.76	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-61.6	122.3	-179.4	24.2	-33.1	0	0	0	108.9	H94 K98	H94-P96 WeakPolarHBondContact O-CD 3.42Å; P96-K98 PolarHBondContact O-N 3.21Å
97	G	45.6	Very low	58.2	Low	43 Å²	43	114 Å²	114	44%	0.443	66%	0.659	S	S	.	*	P	Polyproline II helix	trans	-60.1	126.8	169.8	0	0	0	0	0	108.6	S95 D99	S95-G97 PolarHBondContact O-N 2.94Å; S95-G97 VanDerWaalsContact O-N 3.14Å; G97-D99 VanDerWaalsContact CA-OD2 3.28Å; G97-D99 WeakPolarHBondContact CA-OD2 3.27Å; G97-D99 PolarHBondContact O-N 3.05Å
98	K	41.6	Very low	56	Low	206 Å²	206	114.3 Å²	114.3	90%	0.896	67%	0.672	S	S	*	*			trans	-81.5	53	168.5	-78.1	-160.5	169.8	-163.3	0	109.3	P96	P96-K98 PolarHBondContact O-N 3.21Å
99	D	38.9	Very low	53.6	Low	146 Å²	146	114.3 Å²	114.3	78%	0.781	68%	0.683	S	S	*	*			trans	-109.2	52	-173.8	-50.5	-43.3	0	0	0	107.9	G97	G97-D99 VanDerWaalsContact CA-OD2 3.28Å; G97-D99 WeakPolarHBondContact CA-OD2 3.27Å; G97-D99 PolarHBondContact O-N 3.05Å
100	L	37.7	Very low	51.3	Low	166 Å²	166	120.6 Å²	120.6	87%	0.869	72%	0.716	S	S	*	*			trans	-126.9	56.9	-173.2	-83.4	172.5	0	0	0	111
101	S	36.3	Very low	49	Very low	117 Å²	117	123.8 Å²	123.8	82%	0.818	74%	0.738	S	S	*	*			trans	-161.9	59.3	171.5	64.3	0	0	0	0	114.1
102	A	37.6	Very low	46.7	Very low	106 Å²	106	124.5 Å²	124.5	88%	0.876	74%	0.744	S	S	*	*	S	Bend	trans	-166.6	130.7	157.9	0	0	0	0	0	113.1
103	G	33	Very low	44.7	Very low	77 Å²	77	123.5 Å²	123.5	79%	0.794	75%	0.747	S	S	*	*			trans	93.8	8.2	139.1	0	0	0	0	0	121.3	T105	G103-T105 PolarHBondContact O-N 3.44Å
104	M	35.9	Very low	42.5	Very low	199 Å²	199	122.5 Å²	122.5	98%	0.98	75%	0.748	S	S	*	*			trans	-88.9	83.6	165.8	-86.6	-171.7	163.1	0	0	111.3
105	T	40.9	Very low	40.4	Very low	134 Å²	134	128.2 Å²	128.2	82%	0.822	78%	0.775	S	S	*	*			trans	-83.3	113.7	166.4	49.9	0	0	0	0	109.8	G103	G103-T105 PolarHBondContact O-N 3.44Å
106	A	34.8	Very low	38.7	Very low	106 Å²	106	131.3 Å²	131.3	88%	0.876	79%	0.785	S	S	*	*			trans	-70.3	139.3	173.8	0	0	0	0	0	111.3
107	G	38.7	Very low	38	Very low	79 Å²	79	132 Å²	132	81%	0.814	79%	0.79	S	S	*	*			trans	-158.5	97.7	176	0	0	0	0	0	108.9
108	T	36	Very low	37.4	Very low	140 Å²	140	135.9 Å²	135.9	86%	0.859	81%	0.805	S	S	*	*			trans	-85.8	137.5	-172.3	48.1	0	0	0	0	112.6
109	D	36.6	Very low	37.3	Very low	149 Å²	149	129.5 Å²	129.5	80%	0.797	80%	0.798	S	S	*	*			trans	-149.5	167.2	139.2	-146.7	-18.2	0	0	0	111.1
110	L	38.7	Very low	37.3	Very low	142 Å²	142	130.4 Å²	130.4	74%	0.743	80%	0.797	S	S	*	*			trans	-76.9	158.9	-170.5	-75.8	74.3	0	0	0	111.9
111	T	36.9	Very low	37.4	Very low	114 Å²	114	128.7 Å²	128.7	70%	0.699	79%	0.788	S	S	*	*				-174.8	144.7	71	33.8	0	0	0	0	113.5
112	Q	38.4	Very low	37.5	Very low	175 Å²	175	129.9 Å²	129.9	82%	0.818	79%	0.79	S	S	*	*			trans	63.7	142.6	149.1	-67.6	-174.5	17.9	0	0	118.8
113	V	40.4	Very low	37.4	Very low	110 Å²	110	128.4 Å²	128.4	67%	0.667	78%	0.779	S	S	*	*			cis	-153.5	153.4	-4.2	-107.3	0	0	0	0	109.5
114	N	36.6	Very low	37.5	Very low	125 Å²	125	130.8 Å²	130.8	67%	0.668	78%	0.778	S	S	*	*			trans	55.9	145.1	148.5	-64.6	29.3	0	0	0	120.1
115	E	38.5	Very low	37.6	Very low	172 Å²	172	130.1 Å²	130.1	80%	0.804	77%	0.769	S	S	*	*			cis	-153.7	165.1	-3.4	-121.4	161.4	143.5	0	0	110.1
116	L	33.3	Very low	37.4	Very low	134 Å²	134	130.1 Å²	130.1	70%	0.702	76%	0.764	S	S	*	*			trans	-116.9	160.4	-179.5	-148.2	74.7	0	0	0	110.3	T118	L116-T118 HydrophobicContact CD2-CG2 3.7Å; L116-T118 HydrophobicContact CG-CG2 4.25Å
117	P	41.4	Very low	37.5	Very low	133 Å²	133	133.1 Å²	133.1	86%	0.864	76%	0.76	S	S	*	*				-145.3	161.4	105.4	37.1	-22.6	0	0	0	115.2
118	T	33.4	Very low	37.3	Very low	124 Å²	124	136.4 Å²	136.4	76%	0.761	76%	0.758	S	S	*	*			trans	-121.4	151	-177.7	43.4	0	0	0	0	113.4	L116	L116-T118 HydrophobicContact CD2-CG2 3.7Å; L116-T118 HydrophobicContact CG-CG2 4.25Å
119	G	39.6	Very low	37.6	Very low	72 Å²	72	134.9 Å²	134.9	74%	0.742	75%	0.751	S	S	*	*			trans	155	159.3	154.1	0	0	0	0	0	113.7
120	H	39.3	Very low	37.6	Very low	165 Å²	165	134.3 Å²	134.3	76%	0.764	75%	0.753	S	S	*	*			cis	-167.5	170.4	-27.7	-153	-113.6	0	0	0	108.2
121	D	38.1	Very low	37.4	Very low	129 Å²	129	131 Å²	131	69%	0.69	75%	0.753	S	S	*	*			trans	74.7	154.2	156.5	-67.6	-51.8	0	0	0	125
122	V	39.6	Very low	37.6	Very low	142 Å²	142	131 Å²	131	86%	0.861	76%	0.758	S	S	*	*			trans	71.2	139.8	163.3	-152.7	0	0	0	0	119.5
123	A	36.1	Very low	37.4	Very low	76 Å²	76	133 Å²	133	63%	0.628	76%	0.759	S	S	*	*				-178.7	139.9	-63.5	0	0	0	0	0	111.8
124	T	33.9	Very low	37.4	Very low	127 Å²	127	130.4 Å²	130.4	78%	0.779	76%	0.755	S	S	*	*			trans	44.9	116.5	148.7	58.1	0	0	0	0	123.1
125	K	38.1	Very low	37.7	Very low	184 Å²	184	132.2 Å²	132.2	80%	0.8	77%	0.765	S	S	*	*				-171.5	134.6	116.1	-96.7	-168.4	171.2	-170.2	0	108.2
126	L	36.8	Very low	37.6	Very low	134 Å²	134	128.7 Å²	128.7	70%	0.702	77%	0.765	S	S	*	*				62.8	132	64.8	-82.2	74.6	0	0	0	112.1
127	E	37	Very low	38.6	Very low	169 Å²	169	130 Å²	130	79%	0.79	77%	0.772	S	S	*	*			cis	-144.4	179.2	20.5	-103.1	134.1	-131.9	0	0	113.8
128	N	35.2	Very low	39.2	Very low	148 Å²	148	126.2 Å²	126.2	79%	0.791	75%	0.749	S	S	*	*			trans	-150.9	142.9	-175.7	-169.8	29	0	0	0	111.4
129	P	42	Very low	40.5	Very low	109 Å²	109	128.9 Å²	128.9	71%	0.708	75%	0.753	S	S	*	*			trans	-144.8	116.4	151.2	30.2	-10.5	0	0	0	114.6
130	T	35.3	Very low	41.6	Very low	137 Å²	137	132.8 Å²	132.8	84%	0.84	75%	0.752	S	S	*	*				88	128.8	77.4	59.1	0	0	0	0	117.8
131	G	36.4	Very low	43.1	Very low	72 Å²	72	130.3 Å²	130.3	74%	0.742	74%	0.741	S	S	*	*			trans	158.4	105.2	166.7	0	0	0	0	0	111.1
132	S	39.4	Very low	44.5	Very low	114 Å²	114	127.4 Å²	127.4	80%	0.797	73%	0.734	S	S	*	*				83.2	126.4	54.3	-162.7	0	0	0	0	112
133	Y	35.5	Very low	46.5	Very low	216 Å²	216	127 Å²	127	85%	0.847	72%	0.721	S	S	*	*			cis	-158.7	167.9	5.1	-152.9	-101.6	0	0	0	112
134	G	39.9	Very low	48.6	Very low	56 Å²	56	129 Å²	129	58%	0.577	72%	0.717	S	S	*	*			trans	81.6	145.2	161.1	0	0	0	0	0	117.6
135	D	41.9	Very low	50.8	Low	163 Å²	163	127.9 Å²	127.9	87%	0.872	71%	0.71	S	S	*	*			cis	-146.1	157.6	-9.6	-83.5	-43.9	0	0	0	109.8
136	A	37.8	Very low	52.7	Low	99 Å²	99	124.9 Å²	124.9	82%	0.818	70%	0.699	S	S	*	*			trans	-106.1	126	-176	0	0	0	0	0	112.8
137	L	53.5	Low	55.1	Low	161 Å²	161	122.4 Å²	122.4	84%	0.843	69%	0.686	S	S	*	*			trans	-111.7	153.2	160.8	-68.4	175.8	0	0	0	108.8
138	S	54.3	Low	57.4	Low	54 Å²	54	120.4 Å²	120.4	38%	0.378	68%	0.677	S	S	.	*			trans	-72.2	141.3	-164.9	78.9	0	0	0	0	113	Q140 E141 A142	S138-Q140 PolarHBondContact O-N 2.89Å; S138-Q140 VanDerWaalsContact O-N 3.14Å; S138-E141 WeakPolarHBondContact CB-OE2 3.27Å; S138-E141 PolarHBondContact N-OE2 2.85Å; S138-E141 PolarHBondContact O-N 2.96Å; S138-E141 VanDerWaalsContact OG-CD 3.31Å; S138-E141 VanDerWaalsContact OG-CG 3.31Å; S138-E141 WeakPolarHBondContact OG-CG 3.4Å; S138-E141 PolarHBondContact OG-N 3.4Å; S138-E141 PolarHBondContact OG-OE2 3.09Å; S138-A142 PolarHBondContact O-N 3.06Å
139	E	60.3	Low	59.7	Low	180 Å²	180	117 Å²	117	84%	0.841	66%	0.664	S	S	*	*	H	α-helix	trans	-60.8	-24.1	177	-63.6	-172.3	121.4	0	0	112.3	F143	E139-F143 WeakPolarHBondContact O-CB 3.31Å; E139-F143 PolarHBondContact O-N 3.11Å
140	Q	64.1	Low	61.7	Low	153 Å²	153	115.2 Å²	115.2	72%	0.715	65%	0.651	S	S	*	*	H	α-helix	trans	-71.7	-43.8	179.1	-171.7	168.3	-18.5	0	0	112.2	S138 F143 E144	S138-Q140 PolarHBondContact O-N 2.89Å; S138-Q140 VanDerWaalsContact O-N 3.14Å; Q140-F143 PolarHBondContact O-N 2.94Å; Q140-E144 PolarHBondContact O-N 2.99Å
141	E	69.2	Low	64.2	Low	114 Å²	114	112.5 Å²	112.5	53%	0.533	63%	0.63	S	S	.	*	H	α-helix	trans	-65.7	-40.1	175.2	-69.2	162.7	115.8	0	0	111.4	S138 F143 E144 V145	S138-E141 WeakPolarHBondContact CB-OE2 3.27Å; S138-E141 PolarHBondContact N-OE2 2.85Å; S138-E141 PolarHBondContact O-N 2.96Å; S138-E141 VanDerWaalsContact OG-CD 3.31Å; S138-E141 VanDerWaalsContact OG-CG 3.31Å; S138-E141 WeakPolarHBondContact OG-CG 3.4Å; S138-E141 PolarHBondContact OG-N 3.4Å; S138-E141 PolarHBondContact OG-OE2 3.09Å; E141-F143 VanDerWaalsContact C-N 3.3Å; E141-F143 PolarHBondContact O-N 2.91Å; E141-E144 PolarHBondContact O-N 3.26Å; E141-V145 WeakPolarHBondContact O-CG2 3.36Å; E141-V145 PolarHBondContact O-N 3.25Å
142	A	69.2	Low	66.5	Low	67 Å²	67	111.5 Å²	111.5	55%	0.554	61%	0.612	S	S	*	*	H	α-helix	trans	-62.5	-36.5	174.9	0	0	0	0	0	112.5	S138 H146	S138-A142 PolarHBondContact O-N 3.06Å; A142-H146 PolarHBondContact O-N 2.9Å
143	F	81.1	Confident	68.5	Low	135 Å²	135	107.5 Å²	107.5	59%	0.592	59%	0.589	S	S	*	*	H	α-helix	trans	-70.5	-42.8	175.1	-175.4	-104.7	0	0	0	112.4	E139 Q140 E141 H146 L147	E139-F143 WeakPolarHBondContact O-CB 3.31Å; E139-F143 PolarHBondContact O-N 3.11Å; Q140-F143 PolarHBondContact O-N 2.94Å; E141-F143 VanDerWaalsContact C-N 3.3Å; E141-F143 PolarHBondContact O-N 2.91Å; F143-H146 WeakPolarHBondContact O-CB 3.29Å; F143-H146 PolarHBondContact O-N 2.95Å; F143-L147 HydrophobicContact CE1-CD1 3.98Å; F143-L147 HydrophobicContact CE2-CD1 4.46Å; F143-L147 HydrophobicContact CZ-CD1 3.84Å; F143-L147 PolarHBondContact O-N 2.87Å
144	E	79.9	Confident	70.7	Confident	117 Å²	117	103 Å²	103	55%	0.547	58%	0.576	S	S	.	*	H	α-helix	trans	-65	-44.3	180	-172.2	163.8	-170.2	0	0	112.1	Q140 E141 H146 L147 Q148	Q140-E144 PolarHBondContact O-N 2.99Å; E141-E144 PolarHBondContact O-N 3.26Å; E144-H146 VanDerWaalsContact C-N 3.29Å; E144-H146 PolarHBondContact O-N 3.29Å; E144-L147 WeakPolarHBondContact O-CB 3.49Å; E144-L147 PolarHBondContact O-N 3.35Å; E144-L147 VanDerWaalsContact O-N 3.13Å; E144-Q148 PolarHBondContact O-N 2.74Å
145	V	79.6	Confident	72.9	Confident	103 Å²	103	105.6 Å²	105.6	62%	0.624	57%	0.573	S	S	*	*	H	α-helix	trans	-60.7	-37.8	174	172.9	0	0	0	0	111.6	E141 S149	E141-V145 WeakPolarHBondContact O-CG2 3.36Å; E141-V145 PolarHBondContact O-N 3.25Å; V145-S149 WeakPolarHBondContact O-CB 3.35Å; V145-S149 PolarHBondContact O-N 3.01Å
146	H	78.6	Confident	74.7	Confident	121 Å²	121	103.5 Å²	103.5	56%	0.56	56%	0.558	S	S	*	*	H	α-helix	trans	-65.7	-43.5	173.8	-170.9	66.9	0	0	0	111.9	A142 F143 E144 Q148 S149 V150	A142-H146 PolarHBondContact O-N 2.9Å; F143-H146 WeakPolarHBondContact O-CB 3.29Å; F143-H146 PolarHBondContact O-N 2.95Å; E144-H146 VanDerWaalsContact C-N 3.29Å; E144-H146 PolarHBondContact O-N 3.29Å; H146-Q148 PolarHBondContact O-N 2.94Å; H146-S149 WeakPolarHBondContact O-CB 3.29Å; H146-S149 PolarHBondContact O-N 3.31Å; H146-V150 WeakPolarHBondContact O-CG2 3.33Å; H146-V150 PolarHBondContact O-N 3.17Å
147	L	87.3	Confident	76.5	Confident	83 Å²	83	104.5 Å²	104.5	44%	0.435	55%	0.546	S	S	.	.	H	α-helix	trans	-61	-44.1	178	-140.6	85.2	0	0	0	111.6	F143 E144 S149 V150 I151	F143-L147 HydrophobicContact CE1-CD1 3.98Å; F143-L147 HydrophobicContact CE2-CD1 4.46Å; F143-L147 HydrophobicContact CZ-CD1 3.84Å; F143-L147 PolarHBondContact O-N 2.87Å; E144-L147 WeakPolarHBondContact O-CB 3.49Å; E144-L147 PolarHBondContact O-N 3.35Å; E144-L147 VanDerWaalsContact O-N 3.13Å; L147-S149 VanDerWaalsContact C-N 3.34Å; L147-S149 PolarHBondContact O-N 2.96Å; L147-V150 PolarHBondContact O-N 2.9Å; L147-V150 VanDerWaalsContact O-N 3.15Å; L147-I151 HydrophobicContact CD2-CD1 4.41Å; L147-I151 WeakPolarHBondContact O-CG1 3.34Å; L147-I151 PolarHBondContact O-N 3.16Å
148	Q	85.7	Confident	77.8	Confident	127 Å²	127	102.2 Å²	102.2	59%	0.593	53%	0.531	S	S	*	.	H	α-helix	trans	-69	-32.5	-180	-132.2	164.6	39.3	0	0	112.3	E144 H146 S152	E144-Q148 PolarHBondContact O-N 2.74Å; H146-Q148 PolarHBondContact O-N 2.94Å; Q148-S152 WeakPolarHBondContact O-CB 3.3Å; Q148-S152 PolarHBondContact O-N 2.88Å; Q148-S152 PolarHBondContact O-OG 2.93Å
149	S	82.5	Confident	79	Confident	76 Å²	76	104.9 Å²	104.9	53%	0.531	54%	0.537	S	S	.	.	H	α-helix	trans	-64.8	-38.5	168.9	-175.1	0	0	0	0	112.6	V145 H146 L147 S152 G153	V145-S149 WeakPolarHBondContact O-CB 3.35Å; V145-S149 PolarHBondContact O-N 3.01Å; H146-S149 WeakPolarHBondContact O-CB 3.29Å; H146-S149 PolarHBondContact O-N 3.31Å; L147-S149 VanDerWaalsContact C-N 3.34Å; L147-S149 PolarHBondContact O-N 2.96Å; S149-S152 WeakPolarHBondContact CA-OG 3.46Å; S149-S152 PolarHBondContact O-OG 3.4Å; S149-S152 VanDerWaalsContact O-OG 3.08Å; S149-G153 PolarHBondContact O-N 3.49Å; S149-G153 VanDerWaalsContact O-N 3.08Å
150	V	85.1	Confident	79.6	Confident	71 Å²	71	101.4 Å²	101.4	43%	0.43	52%	0.521	S	S	.	.	H	α-helix	trans	-70.5	-41.4	176.2	172	0	0	0	0	111.9	H146 L147 G153 Q154	H146-V150 WeakPolarHBondContact O-CG2 3.33Å; H146-V150 PolarHBondContact O-N 3.17Å; L147-V150 PolarHBondContact O-N 2.9Å; L147-V150 VanDerWaalsContact O-N 3.15Å; V150-G153 PolarHBondContact O-N 3.38Å; V150-Q154 PolarHBondContact O-N 2.91Å
151	I	87.9	Confident	80	Confident	80 Å²	80	99.2 Å²	99.2	41%	0.41	51%	0.511	S	S	.	.	H	α-helix	trans	-64.9	-46.3	178.5	-68.5	164	0	0	0	110.9	L147 G153 Q154 Q155	L147-I151 HydrophobicContact CD2-CD1 4.41Å; L147-I151 WeakPolarHBondContact O-CG1 3.34Å; L147-I151 PolarHBondContact O-N 3.16Å; I151-G153 VanDerWaalsContact C-N 3.31Å; I151-G153 PolarHBondContact O-N 3.06Å; I151-Q154 PolarHBondContact O-N 3.32Å; I151-Q155 WeakPolarHBondContact O-CG 3.26Å; I151-Q155 PolarHBondContact O-N 3.5Å
152	S	84.4	Confident	80.1	Confident	51 Å²	51	98.7 Å²	98.7	36%	0.357	51%	0.508	S	S	.	.	H	α-helix	trans	-63.3	-36.8	175.6	51.8	0	0	0	0	112.3	Q148 S149 Q154 Q155 Q156	Q148-S152 WeakPolarHBondContact O-CB 3.3Å; Q148-S152 PolarHBondContact O-N 2.88Å; Q148-S152 PolarHBondContact O-OG 2.93Å; S149-S152 WeakPolarHBondContact CA-OG 3.46Å; S149-S152 PolarHBondContact O-OG 3.4Å; S149-S152 VanDerWaalsContact O-OG 3.08Å; S152-Q154 PolarHBondContact O-N 3.29Å; S152-Q155 PolarHBondContact O-N 2.92Å; S152-Q156 WeakPolarHBondContact O-CG 3.14Å; S152-Q156 PolarHBondContact O-N 3.46Å
153	G	81	Confident	80	Confident	31 Å²	31	102.1 Å²	102.1	32%	0.32	51%	0.513	S	S	.	.	H	α-helix	trans	-60.5	-40	171.1	0	0	0	0	0	113.9	S149 V150 I151 Q157	S149-G153 PolarHBondContact O-N 3.49Å; S149-G153 VanDerWaalsContact O-N 3.08Å; V150-G153 PolarHBondContact O-N 3.38Å; I151-G153 VanDerWaalsContact C-N 3.31Å; I151-G153 PolarHBondContact O-N 3.06Å; G153-Q157 PolarHBondContact O-N 2.82Å
154	Q	82.4	Confident	79	Confident	120 Å²	120	103.3 Å²	103.3	56%	0.561	52%	0.52	S	S	*	.	H	α-helix	trans	-70	-41.6	174	-74.8	-166.8	0.2	0	0	112.6	V150 I151 S152 Q156 Q157 Q158	V150-Q154 PolarHBondContact O-N 2.91Å; I151-Q154 PolarHBondContact O-N 3.32Å; S152-Q154 PolarHBondContact O-N 3.29Å; Q154-Q156 VanDerWaalsContact C-N 3.32Å; Q154-Q156 PolarHBondContact O-N 2.7Å; Q154-Q157 PolarHBondContact O-N 3.26Å; Q154-Q157 VanDerWaalsContact O-N 3.15Å; Q154-Q158 PolarHBondContact O-N 3.35Å
155	Q	84.3	Confident	78	Confident	112 Å²	112	104.1 Å²	104.1	52%	0.523	52%	0.524	S	S	.	.	H	α-helix	trans	-61.3	-40.2	177.5	-72.2	-177.7	5	0	0	111.8	I151 S152 Q157 Q158 Q159	I151-Q155 WeakPolarHBondContact O-CG 3.26Å; I151-Q155 PolarHBondContact O-N 3.5Å; S152-Q155 PolarHBondContact O-N 2.92Å; Q155-Q157 PolarHBondContact O-N 2.87Å; Q155-Q158 PolarHBondContact O-N 3.11Å; Q155-Q159 WeakPolarHBondContact O-CG 3.48Å; Q155-Q159 PolarHBondContact O-N 3.38Å
156	Q	80.8	Confident	76.9	Confident	118 Å²	118	106.5 Å²	106.5	55%	0.551	53%	0.529	S	S	*	.	H	α-helix	trans	-63.3	-38.8	174	-71.6	179.2	12.8	0	0	112.5	S152 Q154 Q159 Q160	S152-Q156 WeakPolarHBondContact O-CG 3.14Å; S152-Q156 PolarHBondContact O-N 3.46Å; Q154-Q156 VanDerWaalsContact C-N 3.32Å; Q154-Q156 PolarHBondContact O-N 2.7Å; Q156-Q159 PolarHBondContact O-N 2.79Å; Q156-Q160 WeakPolarHBondContact O-CG 3.32Å; Q156-Q160 PolarHBondContact O-N 3.18Å
157	Q	75.9	Confident	75.2	Confident	121 Å²	121	104.3 Å²	104.3	57%	0.565	54%	0.538	S	S	*	.	H	α-helix	trans	-67.9	-35.9	174.1	-73.1	-171.3	5.6	0	0	112.9	G153 Q154 Q155 Q161	G153-Q157 PolarHBondContact O-N 2.82Å; Q154-Q157 PolarHBondContact O-N 3.26Å; Q154-Q157 VanDerWaalsContact O-N 3.15Å; Q155-Q157 PolarHBondContact O-N 2.87Å; Q157-Q161 VanDerWaalsContact O-CG 3.32Å; Q157-Q161 WeakPolarHBondContact O-CG 3.35Å; Q157-Q161 PolarHBondContact O-N 3.33Å; Q157-Q161 PolarHBondContact O-NE2 3.5Å
158	Q	80.2	Confident	72.6	Confident	113 Å²	113	107.9 Å²	107.9	53%	0.528	56%	0.555	S	S	.	*	H	α-helix	trans	-68.4	-41.6	174.2	-72	-172.9	3.4	0	0	111.9	Q154 Q155 Q160 Q161 Q162	Q154-Q158 PolarHBondContact O-N 3.35Å; Q155-Q158 PolarHBondContact O-N 3.11Å; Q158-Q160 PolarHBondContact O-N 3.45Å; Q158-Q161 PolarHBondContact O-N 3.06Å; Q158-Q162 WeakPolarHBondContact O-CG 3.41Å; Q158-Q162 PolarHBondContact O-N 3.42Å
159	Q	78.8	Confident	70.8	Confident	109 Å²	109	108.4 Å²	108.4	51%	0.509	57%	0.566	S	S	.	*	H	α-helix	trans	-62.3	-42	174.7	-72.7	179	7.3	0	0	111.9	Q155 Q156 Q161 Q162 Q163	Q155-Q159 WeakPolarHBondContact O-CG 3.48Å; Q155-Q159 PolarHBondContact O-N 3.38Å; Q156-Q159 PolarHBondContact O-N 2.79Å; Q159-Q161 VanDerWaalsContact C-N 3.32Å; Q159-Q161 PolarHBondContact O-N 3.49Å; Q159-Q162 PolarHBondContact O-N 2.98Å; Q159-Q163 WeakPolarHBondContact O-CB 3.44Å; Q159-Q163 WeakPolarHBondContact O-CG 3.48Å; Q159-Q163 PolarHBondContact O-N 3.2Å
160	Q	73.7	Confident	68.9	Low	108 Å²	108	110.2 Å²	110.2	51%	0.505	58%	0.576	S	S	.	*	H	α-helix	trans	-62.7	-36.7	173.7	-73.4	176	17.1	0	0	112.7	Q156 Q158 Q164	Q156-Q160 WeakPolarHBondContact O-CG 3.32Å; Q156-Q160 PolarHBondContact O-N 3.18Å; Q158-Q160 PolarHBondContact O-N 3.45Å; Q160-Q164 VanDerWaalsContact O-CG 3.31Å; Q160-Q164 WeakPolarHBondContact O-CG 3.31Å; Q160-Q164 PolarHBondContact O-N 2.89Å; Q160-Q164 VanDerWaalsContact O-N 3.16Å; Q160-Q164 PolarHBondContact O-NE2 3.34Å
161	Q	73.4	Confident	66.6	Low	106 Å²	106	111.7 Å²	111.7	50%	0.495	59%	0.585	S	S	.	*	H	α-helix	trans	-71.9	-33.5	175.2	-74.6	172.3	55.7	0	0	112.8	Q157 Q158 Q159 Q165	Q157-Q161 VanDerWaalsContact O-CG 3.32Å; Q157-Q161 WeakPolarHBondContact O-CG 3.35Å; Q157-Q161 PolarHBondContact O-N 3.33Å; Q157-Q161 PolarHBondContact O-NE2 3.5Å; Q158-Q161 PolarHBondContact O-N 3.06Å; Q159-Q161 VanDerWaalsContact C-N 3.32Å; Q159-Q161 PolarHBondContact O-N 3.49Å; Q161-Q165 WeakPolarHBondContact O-CG 3.02Å; Q161-Q165 PolarHBondContact O-N 3.38Å; Q161-Q165 PolarHBondContact O-NE2 3.26Å
162	Q	71	Confident	64.2	Low	104 Å²	104	111.3 Å²	111.3	49%	0.486	59%	0.59	S	S	.	*	H	α-helix	trans	-72.5	-41.5	175.5	-71.8	176.4	15.9	0	0	111.5	Q158 Q159 Q164 Q165 Q166	Q158-Q162 WeakPolarHBondContact O-CG 3.41Å; Q158-Q162 PolarHBondContact O-N 3.42Å; Q159-Q162 PolarHBondContact O-N 2.98Å; Q162-Q164 VanDerWaalsContact C-N 3.26Å; Q162-Q164 PolarHBondContact O-N 3.36Å; Q162-Q165 PolarHBondContact O-N 3.49Å; Q162-Q166 WeakPolarHBondContact O-CG 3.42Å; Q162-Q166 PolarHBondContact O-N 3.43Å
163	Q	66.1	Low	62.1	Low	139 Å²	139	113.8 Å²	113.8	65%	0.65	60%	0.597	S	S	*	*	H	α-helix	trans	-61.5	-34.3	173.9	-71.7	172.8	9	0	0	112.1	Q159 Q165	Q159-Q163 WeakPolarHBondContact O-CB 3.44Å; Q159-Q163 WeakPolarHBondContact O-CG 3.48Å; Q159-Q163 PolarHBondContact O-N 3.2Å; Q163-Q165 VanDerWaalsContact C-N 3.25Å; Q163-Q165 PolarHBondContact O-N 2.99Å
164	Q	60	Low	60	Low	159 Å²	159	117 Å²	117	74%	0.743	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-10.7	172.9	-74.1	172.1	47.8	0	0	114.5	Q160 Q162	Q160-Q164 VanDerWaalsContact O-CG 3.31Å; Q160-Q164 WeakPolarHBondContact O-CG 3.31Å; Q160-Q164 PolarHBondContact O-N 2.89Å; Q160-Q164 VanDerWaalsContact O-N 3.16Å; Q160-Q164 PolarHBondContact O-NE2 3.34Å; Q162-Q164 VanDerWaalsContact C-N 3.26Å; Q162-Q164 PolarHBondContact O-N 3.36Å
165	Q	60.1	Low	58	Low	135 Å²	135	119 Å²	119	63%	0.631	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	-8.1	-179.8	-75.6	172.9	95.4	0	0	114	Q161 Q162 Q163	Q161-Q165 WeakPolarHBondContact O-CG 3.02Å; Q161-Q165 PolarHBondContact O-N 3.38Å; Q161-Q165 PolarHBondContact O-NE2 3.26Å; Q162-Q165 PolarHBondContact O-N 3.49Å; Q163-Q165 VanDerWaalsContact C-N 3.25Å; Q163-Q165 PolarHBondContact O-N 2.99Å
166	Q	55.1	Low	55.7	Low	153 Å²	153	118.5 Å²	118.5	72%	0.715	63%	0.634	S	S	*	*	S	Bend	trans	-95.5	3.6	178.6	-68.5	177	14.9	0	0	113.7	Q162 M168	Q162-Q166 WeakPolarHBondContact O-CG 3.42Å; Q162-Q166 PolarHBondContact O-N 3.43Å; Q166-M168 PolarHBondContact O-N 3.35Å
167	G	43.6	Very low	53.9	Low	74 Å²	74	119.8 Å²	119.8	76%	0.763	65%	0.645	S	S	*	*			trans	-88.3	64.2	171.8	0	0	0	0	0	113.7
168	M	33.3	Very low	52.3	Low	159 Å²	159	119.6 Å²	119.6	78%	0.783	66%	0.655	S	S	*	*			trans	-82.3	155.5	169.3	-65.7	-158.4	172.5	0	0	109.9	Q166	Q166-M168 PolarHBondContact O-N 3.35Å
169	V	47.6	Very low	50.2	Low	137 Å²	137	121.3 Å²	121.3	83%	0.83	67%	0.667	S	S	*	*				-152.1	159.5	54	-76.6	0	0	0	0	114.5
170	P	43	Very low	48.4	Very low	114 Å²	114	124.9 Å²	124.9	74%	0.74	69%	0.686	S	S	*	*			trans	-101.6	160.5	176.5	39.3	-34.2	0	0	0	114
171	T	36.4	Very low	46.4	Very low	102 Å²	102	127 Å²	127	63%	0.626	69%	0.694	S	S	*	*			trans	-149.2	149.3	164.4	-44.8	0	0	0	0	110.9	S379	T171-S379 VanDerWaalsContact CG2-C 3.42Å; T171-S379 WeakPolarHBondContact CG2-O 3.35Å
172	S	37.5	Very low	44.8	Very low	72 Å²	72	128 Å²	128	50%	0.503	70%	0.701	S	S	.	*			trans	-130.5	163.2	-165.5	50	0	0	0	0	114.1	G378	S172-G378 PolarHBondContact OG-O 3.41Å
173	M	39	Very low	43.2	Very low	104 Å²	104	131.1 Å²	131.1	51%	0.512	72%	0.718	S	S	.	*			trans	176.2	125.8	146.9	-83	-104.9	157	0	0	106.2	A377 G378 S379	M173-A377 HydrophobicContact CE-CB 4.25Å; M173-G378 WeakPolarHBondContact CE-O 3.48Å; M173-S379 WeakPolarHBondContact CE-OG 3.3Å
174	S	37.3	Very low	41.9	Very low	97 Å²	97	129 Å²	129	68%	0.678	72%	0.724	S	S	*	*			cis	74.6	125.8	49.2	-172.5	0	0	0	0	112.3
175	M	40.6	Very low	40.8	Very low	163 Å²	163	129 Å²	129	80%	0.803	73%	0.729	S	S	*	*			cis	-160.4	-174.7	-3.4	-105.8	-70.2	-175.9	0	0	108.2
176	S	36.7	Very low	39.7	Very low	101 Å²	101	129.2 Å²	129.2	71%	0.706	74%	0.74	S	S	*	*			trans	69.6	147.9	168.9	-10.3	0	0	0	0	116.9
177	D	42.6	Very low	39	Very low	146 Å²	146	127.1 Å²	127.1	78%	0.781	74%	0.742	S	S	*	*			cis	-140.9	150.9	-0.8	-93.5	-48.8	0	0	0	112.2
178	P	43	Very low	39	Very low	117 Å²	117	128.7 Å²	128.7	76%	0.76	74%	0.742	S	S	*	*			trans	-107.3	44.6	-177.5	41.5	-35.9	0	0	0	114.9
179	N	35	Very low	39.5	Very low	148 Å²	148	126.9 Å²	126.9	79%	0.791	75%	0.745	S	S	*	*			trans	-163.6	133.4	166.6	-115.9	-37.1	0	0	0	112.5
180	M	40.7	Very low	39.8	Very low	185 Å²	185	125.9 Å²	125.9	91%	0.911	74%	0.741	S	S	*	*			trans	-126	112.7	152.3	-152.1	-154.6	94.5	0	0	109.1
181	F	32.6	Very low	39.8	Very low	153 Å²	153	128 Å²	128	67%	0.671	75%	0.751	S	S	*	*			trans	-93	150.2	-169.8	179.4	-102.7	0	0	0	111.8	M183	F181-M183 HydrophobicContact CE1-CE 4.47Å
182	I	38.6	Very low	39.7	Very low	126 Å²	126	126.8 Å²	126.8	65%	0.646	76%	0.76	S	S	*	*			trans	-14.5	128.7	159.1	-52.5	-61.9	0	0	0	116.1
183	M	39	Very low	39.9	Very low	170 Å²	170	128 Å²	128	84%	0.837	77%	0.774	S	S	*	*			trans	173	151	139.9	-97.6	168.3	-149	0	0	109.9	F181	F181-M183 HydrophobicContact CE1-CE 4.47Å
184	A	38.9	Very low	39.7	Very low	93 Å²	93	127.1 Å²	127.1	77%	0.769	79%	0.791	S	S	*	*			cis	-148.2	170	-6.3	0	0	0	0	0	111
185	N	35.3	Very low	40.1	Very low	160 Å²	160	129.1 Å²	129.1	86%	0.856	80%	0.799	S	S	*	*			trans	-84	148.2	176.4	-65.2	-41.6	0	0	0	112.7
186	T	38	Very low	40.2	Very low	140 Å²	140	126.4 Å²	126.4	86%	0.859	80%	0.796	S	S	*	*			trans	-145	125	146.2	23.3	0	0	0	0	111.5
187	S	40.5	Very low	40.7	Very low	108 Å²	108	126.4 Å²	126.4	76%	0.755	80%	0.797	S	S	*	*			trans	-26.1	137.1	168.7	49	0	0	0	0	116.9
188	S	43.5	Very low	40.8	Very low	108 Å²	108	125.1 Å²	125.1	76%	0.755	80%	0.799	S	S	*	*				-177.3	126.9	74	36.8	0	0	0	0	115.6
189	S	44.4	Very low	41	Very low	121 Å²	121	125.2 Å²	125.2	85%	0.846	80%	0.801	S	S	*	*			trans	61.1	154.1	142.5	-61.1	0	0	0	0	123.9
190	P	52.6	Low	42.4	Very low	116 Å²	116	128.8 Å²	128.8	75%	0.753	80%	0.804	S	S	*	*			trans	-139.6	150.1	-149	39.9	-19.9	0	0	0	119
191	V	44.3	Very low	43.7	Very low	157 Å²	157	124.6 Å²	124.6	95%	0.952	79%	0.79	S	S	*	*			trans	-166.7	151.2	144.8	-99.3	0	0	0	0	108.1
192	G	34.5	Very low	45.9	Very low	78 Å²	78	125 Å²	125	80%	0.804	79%	0.792	S	S	*	*			cis	166.8	54.5	-0.9	0	0	0	0	0	113.8
193	A	40	Very low	48.2	Very low	97 Å²	97	122.3 Å²	122.3	80%	0.802	78%	0.781	S	S	*	*			trans	-146.8	120.9	178.6	0	0	0	0	0	112.7
194	G	36.6	Very low	50.5	Low	85 Å²	85	117.6 Å²	117.6	88%	0.876	75%	0.754	S	S	*	*			trans	-90.5	126.4	176.6	0	0	0	0	0	112.2
195	T	45.4	Very low	52.7	Low	139 Å²	139	122.1 Å²	122.1	85%	0.853	75%	0.752	S	S	*	*			trans	-131	157.7	177.2	54.6	0	0	0	0	113.1
196	S	41.8	Very low	55.3	Low	106 Å²	106	115.4 Å²	115.4	74%	0.741	72%	0.717	S	S	*	*			trans	-74	143.1	-162.7	54.9	0	0	0	0	116
197	S	48.5	Very low	57.5	Low	102 Å²	102	118.6 Å²	118.6	71%	0.713	72%	0.719	S	S	*	*	S	Bend	trans	30.4	117.9	145.1	63.2	0	0	0	0	119.2	C199	S197-C199 PolarHBondContact O-N 3.2Å
198	S	44.6	Very low	59.4	Low	119 Å²	119	119.5 Å²	119.5	83%	0.832	71%	0.711	S	S	*	*			trans	-43.6	102.6	179.9	-168.8	0	0	0	0	115.2	R200	S198-R200 PolarHBondContact O-N 3.24Å
199	C	46.4	Very low	61.5	Low	119 Å²	119	116.8 Å²	116.8	80%	0.804	69%	0.692	S	S	*	*			trans	-87.9	88.1	176.3	-170.9	0	0	0	0	110.9	S197	S197-C199 PolarHBondContact O-N 3.2Å
200	R	63.6	Low	63.6	Low	222 Å²	222	116.7 Å²	116.7	84%	0.838	69%	0.691	S	S	*	*			trans	-80.1	120.3	163.7	-79.9	-174.2	173.8	-114.6	2	109.4	S198 K202	S198-R200 PolarHBondContact O-N 3.24Å; R200-K202 PolarHBondContact O-N 2.84Å
201	P	69.3	Low	65.2	Low	97 Å²	97	115.1 Å²	115.1	63%	0.63	67%	0.673	S	S	*	*			trans	-62.9	131.3	178.6	25	-33.4	0	0	0	110.8	T203	P201-T203 PolarHBondContact O-N 3.21Å; P201-T203 VanDerWaalsContact O-N 3.12Å
202	K	77.5	Confident	67.4	Low	163 Å²	163	110.4 Å²	110.4	71%	0.709	64%	0.644	S	S	*	*			trans	-84.8	89.6	-172.3	-171.8	175.2	-177.2	170.4	0	111.2	R200 Y204	R200-K202 PolarHBondContact O-N 2.84Å; K202-Y204 WeakPolarHBondContact O-CD2 3.36Å; K202-Y204 WeakPolarHBondContact O-CE2 3.47Å
203	T	87.8	Confident	70	Confident	68 Å²	68	106.8 Å²	106.8	42%	0.417	61%	0.607	S	S	.	*			trans	-75.7	151.8	-178.9	58.7	0	0	0	0	113.3	P201 V212 A213 N214	P201-T203 PolarHBondContact O-N 3.21Å; P201-T203 VanDerWaalsContact O-N 3.12Å; T203-V212 HydrophobicContact CG2-CG1 4.32Å; T203-A213 CarbonylContact C-O 3.6Å; T203-A213 WeakPolarHBondContact CA-O 3.48Å; T203-N214 WeakPolarHBondContact CG2-OD1 3.45Å
204	Y	86.1	Confident	72.2	Confident	71 Å²	71	107.9 Å²	107.9	28%	0.278	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121	107.1	-178.3	-59.7	-95.7	0	0	0	109.6	K202 V212 A213 K216 F219	K202-Y204 WeakPolarHBondContact O-CD2 3.36Å; K202-Y204 WeakPolarHBondContact O-CE2 3.47Å; Y204-V212 WeakPolarHBondContact O-CA 3.35Å; Y204-A213 PolarHBondContact N-O 2.88Å; Y204-A213 PolarHBondContact O-N 3.16Å; Y204-K216 HydrophobicContact CE1-CB 4.34Å; Y204-K216 HydrophobicContact CE1-CG 4.43Å; Y204-K216 HydrophobicContact CE2-CB 4.1Å; Y204-F219 VanDerWaalsContact CB-CD2 3.47Å; Y204-F219 HydrophobicContact CG-CB 4.15Å; Y204-F219 HydrophobicContact CG-CG 4.27Å
205	R	86.8	Confident	74.6	Confident	189 Å²	189	106.2 Å²	106.2	71%	0.713	57%	0.574	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.1	135.2	178.5	-55.3	-161.1	174.7	-163.7	-2.6	111.5	V212 F219	R205-V212 HydrophobicContact CB-CG2 4.41Å; R205-V212 HydrophobicContact CG-CG1 4.07Å; R205-V212 HydrophobicContact CG-CG2 3.83Å; R205-F219 WeakPolarHBondContact O-CE2 3.35Å
206	C	88.1	Confident	76.5	Confident	18 Å²	18	106.4 Å²	106.4	12%	0.122	56%	0.563	C	S	.	*			trans	-67.3	156.6	171	-168.5	0	0	0	0	111.3	Q208 C209 F211 H222	C206-Q208 PolarHBondContact SG-N 3.11Å; C206-Q208 VanDerWaalsContact SG-N 3.43Å; C206-C209 WeakPolarHBondContact CB-O 3.21Å; C206-F211 HydrophobicContact CB-CB 4.36Å; C206-F211 PolarHBondContact N-O 3.32Å; C206-H222 WeakPolarHBondContact CB-NE2 3.41Å; C206-H222 PolarHBondContact SG-NE2 3.04Å
207	K	84.7	Confident	78.6	Confident	207 Å²	207	106.6 Å²	106.6	90%	0.9	56%	0.556	S	S	*	*	S	Bend	trans	-101.9	-9.9	175.7	-65.5	-171.2	177.6	-173.3	0	113.8
208	Q	80.6	Confident	80.5	Confident	128 Å²	128	105 Å²	105	60%	0.598	54%	0.539	S	S	*	.	S	Bend	trans	-112.8	-9.4	-174.6	-68.1	168.5	-79.9	0	0	112.4	C206 H226	C206-Q208 PolarHBondContact SG-N 3.11Å; C206-Q208 VanDerWaalsContact SG-N 3.43Å; Q208-H226 WeakPolarHBondContact CB-ND1 3.26Å
209	C	87.9	Confident	82.6	Confident	51 Å²	51	101.6 Å²	101.6	35%	0.345	51%	0.509	S	S	.	.	S	Bend	trans	-159	176.3	170.8	64.8	0	0	0	0	110.4	C206 F211 H222 H226	C206-C209 WeakPolarHBondContact CB-O 3.21Å; C209-F211 VanDerWaalsContact C-N 3.26Å; C209-F211 PolarHBondContact O-N 3.47Å; C209-H222 PolarHBondContact SG-CE1 2.86Å; C209-H222 PolarHBondContact SG-NE2 2.71Å; C209-H226 PolarHBondContact SG-CE1 3.47Å; C209-H226 PolarHBondContact SG-NE2 3.38Å; C209-H226 VanDerWaalsContact SG-NE2 3.37Å
210	S	87.6	Confident	84.4	Confident	119 Å²	119	99.8 Å²	99.8	83%	0.832	49%	0.486	S	S	*	.	S	Bend	trans	-68.9	-7.9	-179.5	47.8	0	0	0	0	116.4
211	F	88	Confident	85.5	Confident	83 Å²	83	93.5 Å²	93.5	36%	0.364	47%	0.468	S	S	.	.			trans	-58.2	138.6	-175.5	-175.7	-98.8	0	0	0	113.9	C206 C209 A213 H222	C206-F211 HydrophobicContact CB-CB 4.36Å; C206-F211 PolarHBondContact N-O 3.32Å; C209-F211 VanDerWaalsContact C-N 3.26Å; C209-F211 PolarHBondContact O-N 3.47Å; F211-A213 HydrophobicContact CE1-CB 3.9Å; F211-H222 WeakPolarHBondContact CB-CE1 3.35Å; F211-H222 HydrophobicContact CD1-CB 3.75Å; F211-H222 AromaticContact CD1-CD2 3.46Å; F211-H222 VanDerWaalsContact CD1-CD2 3.46Å; F211-H222 WeakPolarHBondContact CD1-CD2 3.32Å; F211-H222 AromaticContact CD1-CE1 3.64Å; F211-H222 AromaticContact CD1-CG 3.2Å; F211-H222 AromaticContact CD1-ND1 3.33Å; F211-H222 VanDerWaalsContact CD1-ND1 3.33Å; F211-H222 WeakPolarHBondContact CD1-ND1 3.29Å; F211-H222 AromaticContact CD1-NE2 3.73Å; F211-H222 AromaticContact CD2-ND1 3.94Å; F211-H222 HydrophobicContact CE1-CB 3.43Å; F211-H222 VanDerWaalsContact CE1-CB 3.43Å; F211-H222 AromaticContact CE1-CG 3.45Å; F211-H222 VanDerWaalsContact CE1-CG 3.45Å; F211-H222 AromaticContact CE1-ND1 3.74Å; F211-H222 AromaticContact CG-CE1 3.46Å; F211-H222 VanDerWaalsContact CG-CE1 3.46Å; F211-H222 WeakPolarHBondContact CG-CE1 3.4Å; F211-H222 AromaticContact CG-CG 3.82Å; F211-H222 AromaticContact CG-ND1 3.42Å; F211-H222 WeakPolarHBondContact CG-ND1 3.37Å; F211-H222 AromaticContact CG-NE2 3.88Å; F211-H222 HydrophobicContact CZ-CB 4.15Å
212	V	89.7	Confident	86.3	Confident	57 Å²	57	90 Å²	90	35%	0.345	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126.1	177.6	-173.5	0	0	0	0	109	T203 Y204 R205	T203-V212 HydrophobicContact CG2-CG1 4.32Å; Y204-V212 WeakPolarHBondContact O-CA 3.35Å; R205-V212 HydrophobicContact CB-CG2 4.41Å; R205-V212 HydrophobicContact CG-CG1 4.07Å; R205-V212 HydrophobicContact CG-CG2 3.83Å
213	A	88.2	Confident	86.7	Confident	3 Å²	3	86.3 Å²	86.3	3%	0.025	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	148.8	174.8	0	0	0	0	0	111.7	T203 Y204 F211 S215 D218 F219	T203-A213 CarbonylContact C-O 3.6Å; T203-A213 WeakPolarHBondContact CA-O 3.48Å; Y204-A213 PolarHBondContact N-O 2.88Å; Y204-A213 PolarHBondContact O-N 3.16Å; F211-A213 HydrophobicContact CE1-CB 3.9Å; A213-S215 WeakPolarHBondContact CB-O 3.49Å; A213-D218 HydrophobicContact CB-CB 4.01Å; A213-F219 HydrophobicContact CB-CB 3.88Å
214	N	86.3	Confident	86.5	Confident	120 Å²	120	86.3 Å²	86.3	64%	0.642	42%	0.421	S	S	*	.	S	Bend	trans	-91.1	-25.7	173.9	-68.2	-5.6	0	0	0	111.7	T203	T203-N214 WeakPolarHBondContact CG2-OD1 3.45Å
215	S	87.5	Confident	86.4	Confident	50 Å²	50	87.9 Å²	87.9	35%	0.35	44%	0.437	S	S	.	.	S	Bend	trans	-105.4	155.6	170	-169.6	0	0	0	0	113	A213 N217 D218 F219	A213-S215 WeakPolarHBondContact CB-O 3.49Å; S215-N217 PolarHBondContact O-N 3.3Å; S215-N217 PolarHBondContact OG-N 3.27Å; S215-D218 WeakPolarHBondContact CA-OD2 3.48Å; S215-D218 WeakPolarHBondContact CB-OD1 3.47Å; S215-D218 WeakPolarHBondContact CB-OD2 3.38Å; S215-D218 PolarHBondContact N-OD2 2.59Å; S215-F219 PolarHBondContact O-N 3.37Å
216	K	86	Confident	86.2	Confident	142 Å²	142	81.5 Å²	81.5	62%	0.617	42%	0.416	S	S	*	.	H	α-helix	trans	-64.4	-29.4	170.4	-174.5	-173.1	172	-166	0	111.7	Y204 W220	Y204-K216 HydrophobicContact CE1-CB 4.34Å; Y204-K216 HydrophobicContact CE1-CG 4.43Å; Y204-K216 HydrophobicContact CE2-CB 4.1Å; K216-W220 PolarHBondContact O-N 2.61Å
217	N	85.6	Confident	85.9	Confident	111 Å²	111	81.7 Å²	81.7	59%	0.594	42%	0.415	S	S	*	.	H	α-helix	trans	-71.7	-52.6	180	-74.9	1.2	0	0	0	110.8	S215 F219 W220 I221	S215-N217 PolarHBondContact O-N 3.3Å; S215-N217 PolarHBondContact OG-N 3.27Å; N217-F219 VanDerWaalsContact C-N 3.26Å; N217-F219 PolarHBondContact O-N 3.14Å; N217-W220 CarbonylContact O-C 3.58Å; N217-W220 WeakPolarHBondContact O-CA 3.46Å; N217-W220 PolarHBondContact O-N 3.36Å; N217-I221 WeakPolarHBondContact O-CG1 3.41Å; N217-I221 PolarHBondContact O-N 3Å
218	D	87.6	Confident	85.8	Confident	69 Å²	69	79.5 Å²	79.5	37%	0.369	41%	0.406	S	S	.	.	H	α-helix	trans	-59.8	-37.8	178.4	-8.8	-47.1	0	0	0	111.3	A213 S215 W220 I221 H222	A213-D218 HydrophobicContact CB-CB 4.01Å; S215-D218 WeakPolarHBondContact CA-OD2 3.48Å; S215-D218 WeakPolarHBondContact CB-OD1 3.47Å; S215-D218 WeakPolarHBondContact CB-OD2 3.38Å; S215-D218 PolarHBondContact N-OD2 2.59Å; D218-W220 VanDerWaalsContact C-N 3.32Å; D218-W220 PolarHBondContact O-N 3.02Å; D218-I221 PolarHBondContact O-N 3.18Å; D218-H222 WeakPolarHBondContact O-CB 3.4Å; D218-H222 PolarHBondContact O-N 2.94Å
219	F	89.6	Confident	85.7	Confident	46 Å²	46	77.8 Å²	77.8	20%	0.202	41%	0.408	C	S	.	.	H	α-helix	trans	-56.7	-44.4	170.6	-179.9	-100.1	0	0	0	112.6	Y204 R205 A213 S215 N217 Q223	Y204-F219 VanDerWaalsContact CB-CD2 3.47Å; Y204-F219 HydrophobicContact CG-CB 4.15Å; Y204-F219 HydrophobicContact CG-CG 4.27Å; R205-F219 WeakPolarHBondContact O-CE2 3.35Å; A213-F219 HydrophobicContact CB-CB 3.88Å; S215-F219 PolarHBondContact O-N 3.37Å; N217-F219 VanDerWaalsContact C-N 3.26Å; N217-F219 PolarHBondContact O-N 3.14Å; F219-Q223 WeakPolarHBondContact O-CB 3.39Å; F219-Q223 PolarHBondContact O-N 2.99Å
220	W	84.9	Confident	85.1	Confident	82 Å²	82	80.6 Å²	80.6	31%	0.311	42%	0.42	S	S	.	.	H	α-helix	trans	-74.3	-38	-179.2	-166.8	75.6	0	0	0	112.4	K216 N217 D218 H222 Q223 R224 P239 F240 I241	K216-W220 PolarHBondContact O-N 2.61Å; N217-W220 CarbonylContact O-C 3.58Å; N217-W220 WeakPolarHBondContact O-CA 3.46Å; N217-W220 PolarHBondContact O-N 3.36Å; D218-W220 VanDerWaalsContact C-N 3.32Å; D218-W220 PolarHBondContact O-N 3.02Å; W220-H222 VanDerWaalsContact C-N 3.32Å; W220-H222 PolarHBondContact O-N 3.38Å; W220-Q223 PolarHBondContact O-N 2.75Å; W220-R224 HydrophobicContact CH2-CG 4.21Å; W220-R224 HydrophobicContact CZ2-CG 4.44Å; W220-R224 HydrophobicContact CZ3-CG 4.38Å; W220-R224 PolarHBondContact O-N 2.69Å; W220-P239 WeakPolarHBondContact CH2-O 3.35Å; W220-F240 AromaticContact CZ2-CD2 3.98Å; W220-F240 HydrophobicContact CZ2-CD2 3.98Å; W220-I241 HydrophobicContact CH2-CB 4.45Å
221	I	85.2	Confident	84.7	Confident	90 Å²	90	80.8 Å²	80.8	46%	0.462	41%	0.406	S	S	.	.	H	α-helix	trans	-56.5	-49.7	170.8	-68.3	169.9	0	0	0	109.5	N217 D218 R224	N217-I221 WeakPolarHBondContact O-CG1 3.41Å; N217-I221 PolarHBondContact O-N 3Å; D218-I221 PolarHBondContact O-N 3.18Å; I221-R224 WeakPolarHBondContact O-CB 3.41Å; I221-R224 PolarHBondContact O-N 2.68Å
222	H	86.9	Confident	84.5	Confident	24 Å²	24	80.5 Å²	80.5	11%	0.111	41%	0.405	C	S	.	.	H	α-helix	trans	-62.5	-41.3	175.8	173	82.6	0	0	0	112.7	C206 C209 F211 D218 W220 R224 T225 H226	C206-H222 WeakPolarHBondContact CB-NE2 3.41Å; C206-H222 PolarHBondContact SG-NE2 3.04Å; C209-H222 PolarHBondContact SG-CE1 2.86Å; C209-H222 PolarHBondContact SG-NE2 2.71Å; F211-H222 WeakPolarHBondContact CB-CE1 3.35Å; F211-H222 HydrophobicContact CD1-CB 3.75Å; F211-H222 AromaticContact CD1-CD2 3.46Å; F211-H222 VanDerWaalsContact CD1-CD2 3.46Å; F211-H222 WeakPolarHBondContact CD1-CD2 3.32Å; F211-H222 AromaticContact CD1-CE1 3.64Å; F211-H222 AromaticContact CD1-CG 3.2Å; F211-H222 AromaticContact CD1-ND1 3.33Å; F211-H222 VanDerWaalsContact CD1-ND1 3.33Å; F211-H222 WeakPolarHBondContact CD1-ND1 3.29Å; F211-H222 AromaticContact CD1-NE2 3.73Å; F211-H222 AromaticContact CD2-ND1 3.94Å; F211-H222 HydrophobicContact CE1-CB 3.43Å; F211-H222 VanDerWaalsContact CE1-CB 3.43Å; F211-H222 AromaticContact CE1-CG 3.45Å; F211-H222 VanDerWaalsContact CE1-CG 3.45Å; F211-H222 AromaticContact CE1-ND1 3.74Å; F211-H222 AromaticContact CG-CE1 3.46Å; F211-H222 VanDerWaalsContact CG-CE1 3.46Å; F211-H222 WeakPolarHBondContact CG-CE1 3.4Å; F211-H222 AromaticContact CG-CG 3.82Å; F211-H222 AromaticContact CG-ND1 3.42Å; F211-H222 WeakPolarHBondContact CG-ND1 3.37Å; F211-H222 AromaticContact CG-NE2 3.88Å; F211-H222 HydrophobicContact CZ-CB 4.15Å; D218-H222 WeakPolarHBondContact O-CB 3.4Å; D218-H222 PolarHBondContact O-N 2.94Å; W220-H222 VanDerWaalsContact C-N 3.32Å; W220-H222 PolarHBondContact O-N 3.38Å; H222-R224 PolarHBondContact O-N 3.08Å; H222-T225 PolarHBondContact O-N 3.29Å; H222-T225 PolarHBondContact O-OG1 3.41Å; H222-H226 AromaticContact CD2-NE2 3.84Å; H222-H226 AromaticContact CE1-NE2 3.38Å; H222-H226 PolarHBondContact CE1-NE2 2.93Å; H222-H226 AromaticContact NE2-CD2 3.57Å; H222-H226 AromaticContact NE2-NE2 2.93Å; H222-H226 PolarHBondContact NE2-NE2 3.34Å
223	Q	85	Confident	84.1	Confident	84 Å²	84	79.9 Å²	79.9	39%	0.393	40%	0.4	S	S	.	.	H	α-helix	trans	-60.1	-22.7	178.7	-169.7	174.7	-7.1	0	0	112.5	F219 W220	F219-Q223 WeakPolarHBondContact O-CB 3.39Å; F219-Q223 PolarHBondContact O-N 2.99Å; W220-Q223 PolarHBondContact O-N 2.75Å
224	R	83.8	Confident	83.9	Confident	69 Å²	69	82.6 Å²	82.6	26%	0.26	42%	0.422	S	S	.	.	H	α-helix	trans	-69.8	-29.5	172.4	-61.5	-176.5	-67.4	-170.1	6.8	113.7	W220 I221 H222 H226 I227 I241	W220-R224 HydrophobicContact CH2-CG 4.21Å; W220-R224 HydrophobicContact CZ2-CG 4.44Å; W220-R224 HydrophobicContact CZ3-CG 4.38Å; W220-R224 PolarHBondContact O-N 2.69Å; I221-R224 WeakPolarHBondContact O-CB 3.41Å; I221-R224 PolarHBondContact O-N 2.68Å; H222-R224 PolarHBondContact O-N 3.08Å; R224-H226 VanDerWaalsContact C-N 3.28Å; R224-H226 PolarHBondContact O-N 2.68Å; R224-I227 WeakPolarHBondContact O-CB 3.36Å; R224-I227 PolarHBondContact O-N 3.37Å; R224-I241 HydrophobicContact CG-CB 4.48Å
225	T	84.4	Confident	83.9	Confident	103 Å²	103	77.3 Å²	77.3	63%	0.632	40%	0.395	S	S	*	.	H	α-helix	trans	-71.1	-25	-176.8	70.4	0	0	0	0	112.7	H222 I227	H222-T225 PolarHBondContact O-N 3.29Å; H222-T225 PolarHBondContact O-OG1 3.41Å; T225-I227 PolarHBondContact O-N 2.89Å
226	H	83.3	Confident	83.7	Confident	56 Å²	56	79.8 Å²	79.8	26%	0.259	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-16	171.2	-66.9	-78.1	0	0	0	113.6	Q208 C209 H222 R224	Q208-H226 WeakPolarHBondContact CB-ND1 3.26Å; C209-H226 PolarHBondContact SG-CE1 3.47Å; C209-H226 PolarHBondContact SG-NE2 3.38Å; C209-H226 VanDerWaalsContact SG-NE2 3.37Å; H222-H226 AromaticContact CD2-NE2 3.84Å; H222-H226 AromaticContact CE1-NE2 3.38Å; H222-H226 PolarHBondContact CE1-NE2 2.93Å; H222-H226 AromaticContact NE2-CD2 3.57Å; H222-H226 AromaticContact NE2-NE2 2.93Å; H222-H226 PolarHBondContact NE2-NE2 3.34Å; R224-H226 VanDerWaalsContact C-N 3.28Å; R224-H226 PolarHBondContact O-N 2.68Å
227	I	82.3	Confident	83.4	Confident	22 Å²	22	78 Å²	78	11%	0.113	40%	0.402	C	S	.	.	S	Bend	trans	-87.6	113	177.6	-55.4	173.9	0	0	0	109	R224 T225 S229 Q232 E243	R224-I227 WeakPolarHBondContact O-CB 3.36Å; R224-I227 PolarHBondContact O-N 3.37Å; T225-I227 PolarHBondContact O-N 2.89Å; I227-S229 PolarHBondContact O-N 2.95Å; I227-Q232 HydrophobicContact CB-CG 4.09Å; I227-Q232 HydrophobicContact CG2-CG 3.54Å; I227-Q232 PolarHBondContact O-NE2 3.06Å; I227-E243 HydrophobicContact CG2-CB 3.7Å
228	K	81.3	Confident	83.3	Confident	160 Å²	160	74.8 Å²	74.8	70%	0.696	39%	0.387	S	S	*	.			trans	-51.7	125.6	174.5	-60.8	-164.1	176.2	-160.8	0	110.6	D230 K231 Q232	K228-D230 VanDerWaalsContact C-N 3.31Å; K228-D230 PolarHBondContact O-N 2.95Å; K228-K231 WeakPolarHBondContact O-CA 3.47Å; K228-K231 PolarHBondContact O-N 2.78Å; K228-Q232 PolarHBondContact O-N 3.18Å
229	S	77.9	Confident	83	Confident	93 Å²	93	76.3 Å²	76.3	65%	0.65	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-48.1	-47.2	-175.6	48.5	0	0	0	0	113.4	I227 K231 Q232	I227-S229 PolarHBondContact O-N 2.95Å; S229-K231 PolarHBondContact O-N 3.12Å; S229-Q232 PolarHBondContact O-N 2.8Å
230	D	76.2	Confident	82.7	Confident	110 Å²	110	76.8 Å²	76.8	59%	0.588	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-54.5	-15.6	175.5	-78.3	-27.9	0	0	0	115.7	K228 R599	K228-D230 VanDerWaalsContact C-N 3.31Å; K228-D230 PolarHBondContact O-N 2.95Å; D230-R599 IonicContact OD1-CZ 3.17Å; D230-R599 IonicContact OD1-NH1 3.88Å; D230-R599 PolarHBondContact OD1-NH1 2.97Å; D230-R599 IonicContact OD1-NH2 2.69Å; D230-R599 PolarHBondContact OD1-NH2 2.86Å; D230-R599 IonicContact OD2-NH2 2.68Å
231	K	78.6	Confident	82.7	Confident	123 Å²	123	74.3 Å²	74.3	54%	0.535	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-115	-1.7	179.8	-61.5	-173.6	-179.7	-177.9	0	113.6	K228 S229 L233 E243	K228-K231 WeakPolarHBondContact O-CA 3.47Å; K228-K231 PolarHBondContact O-N 2.78Å; S229-K231 PolarHBondContact O-N 3.12Å; K231-L233 PolarHBondContact O-N 3.11Å; K231-E243 WeakPolarHBondContact O-CA 3.11Å
232	Q	84.2	Confident	82.7	Confident	77 Å²	77	70.7 Å²	70.7	36%	0.36	38%	0.378	S	S	.	.			trans	-68.4	121.7	179.4	-69.8	-176.4	16.1	0	0	110.2	I227 K228 S229 I241	I227-Q232 HydrophobicContact CB-CG 4.09Å; I227-Q232 HydrophobicContact CG2-CG 3.54Å; I227-Q232 PolarHBondContact O-NE2 3.06Å; K228-Q232 PolarHBondContact O-N 3.18Å; S229-Q232 PolarHBondContact O-N 2.8Å; Q232-I241 HydrophobicContact CB-CG2 3.9Å; Q232-I241 HydrophobicContact CG-CG2 3.98Å
233	L	81.6	Confident	82.6	Confident	44 Å²	44	73.2 Å²	73.2	23%	0.23	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	104.6	173.1	-54.7	178	0	0	0	107.9	K231 I241 T242 K245 L248 L606	K231-L233 PolarHBondContact O-N 3.11Å; L233-I241 WeakPolarHBondContact O-CA 3.15Å; L233-T242 WeakPolarHBondContact CA-O 3.46Å; L233-T242 WeakPolarHBondContact CB-O 3.24Å; L233-T242 PolarHBondContact N-O 2.79Å; L233-T242 PolarHBondContact O-N 2.96Å; L233-K245 HydrophobicContact CD1-CB 4.13Å; L233-L248 HydrophobicContact CB-CD2 3.8Å; L233-L606 HydrophobicContact CD2-CD1 4.14Å
234	A	84.8	Confident	82.5	Confident	59 Å²	59	74.7 Å²	74.7	49%	0.488	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	159.9	176.6	0	0	0	0	0	111.9	F240 I241 L248	A234-F240 CarbonylContact C-O 3.46Å; A234-F240 WeakPolarHBondContact CA-O 3.39Å; A234-I241 HydrophobicContact CB-CG1 3.94Å; A234-L248 WeakPolarHBondContact O-CD2 3.4Å
235	C	85.8	Confident	82.5	Confident	10 Å²	10	75.1 Å²	75.1	7%	0.068	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.8	166.1	-173.2	0	0	0	0	110.9	K237 F240 L248 H251	C235-K237 PolarHBondContact O-N 2.99Å; C235-K237 VanDerWaalsContact O-N 3.11Å; C235-K237 PolarHBondContact SG-N 3.43Å; C235-K237 VanDerWaalsContact SG-N 3.43Å; C235-F240 HydrophobicContact CB-CB 4.37Å; C235-F240 PolarHBondContact N-O 3.23Å; C235-L248 HydrophobicContact CB-CD1 4Å; C235-H251 WeakPolarHBondContact CB-NE2 3.41Å; C235-H251 VanDerWaalsContact SG-CD2 3.54Å; C235-H251 PolarHBondContact SG-NE2 3.34Å
236	P	82.3	Confident	82.3	Confident	102 Å²	102	74.3 Å²	74.3	66%	0.662	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-1.3	174.1	29.8	-37.3	0	0	0	114.3	L252	P236-L252 HydrophobicContact CG-CD2 4.3Å
237	K	79.7	Confident	82.3	Confident	104 Å²	104	75.9 Å²	75.9	45%	0.452	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-7.1	-176.8	-73.5	-172.4	167.1	-171.2	0	115.2	C235 H255	C235-K237 PolarHBondContact O-N 2.99Å; C235-K237 VanDerWaalsContact O-N 3.11Å; C235-K237 PolarHBondContact SG-N 3.43Å; C235-K237 VanDerWaalsContact SG-N 3.43Å; K237-H255 HydrophobicContact CD-CB 3.9Å
238	C	83.3	Confident	82.4	Confident	43 Å²	43	75 Å²	75	29%	0.291	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	164	174.9	83.2	0	0	0	0	110.3	F240 H251 H255	C238-F240 PolarHBondContact O-N 3.21Å; C238-F240 VanDerWaalsContact SG-CB 3.5Å; C238-H251 PolarHBondContact SG-CE1 3.42Å; C238-H251 PolarHBondContact SG-NE2 2.97Å; C238-H255 PolarHBondContact SG-NE2 3.41Å; C238-H255 VanDerWaalsContact SG-NE2 3.39Å
239	P	82.5	Confident	82.5	Confident	102 Å²	102	69.5 Å²	69.5	66%	0.662	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	13.4	-173.6	29.3	-36.9	0	0	0	115.5	W220	W220-P239 WeakPolarHBondContact CH2-O 3.35Å
240	F	82.6	Confident	82.7	Confident	55 Å²	55	68.7 Å²	68.7	24%	0.241	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	130.1	179.5	179.5	-99.5	0	0	0	112.1	W220 A234 C235 C238 T242 H251	W220-F240 AromaticContact CZ2-CD2 3.98Å; W220-F240 HydrophobicContact CZ2-CD2 3.98Å; A234-F240 CarbonylContact C-O 3.46Å; A234-F240 WeakPolarHBondContact CA-O 3.39Å; C235-F240 HydrophobicContact CB-CB 4.37Å; C235-F240 PolarHBondContact N-O 3.23Å; C238-F240 PolarHBondContact O-N 3.21Å; C238-F240 VanDerWaalsContact SG-CB 3.5Å; F240-T242 HydrophobicContact CE1-CG2 3.89Å; F240-T242 HydrophobicContact CZ-CG2 4.44Å; F240-H251 HydrophobicContact CD1-CB 4.11Å; F240-H251 AromaticContact CD1-CD2 3.55Å; F240-H251 AromaticContact CD1-CE1 3.84Å; F240-H251 AromaticContact CD1-CG 3.52Å; F240-H251 AromaticContact CD1-ND1 3.7Å; F240-H251 AromaticContact CD1-NE2 3.75Å; F240-H251 HydrophobicContact CE1-CB 3.89Å; F240-H251 AromaticContact CE1-CG 3.8Å; F240-H251 AromaticContact CG-CE1 3.66Å; F240-H251 AromaticContact CG-ND1 3.79Å; F240-H251 AromaticContact CG-NE2 3.87Å
241	I	85.5	Confident	83.1	Confident	30 Å²	30	65.3 Å²	65.3	15%	0.154	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.8	-179.3	-70.3	159.5	0	0	0	109.1	W220 R224 Q232 L233 A234	W220-I241 HydrophobicContact CH2-CB 4.45Å; R224-I241 HydrophobicContact CG-CB 4.48Å; Q232-I241 HydrophobicContact CB-CG2 3.9Å; Q232-I241 HydrophobicContact CG-CG2 3.98Å; L233-I241 WeakPolarHBondContact O-CA 3.15Å; A234-I241 HydrophobicContact CB-CG1 3.94Å
242	T	84.6	Confident	83.3	Confident	14 Å²	14	59.7 Å²	59.7	9%	0.086	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	155.6	177.1	-171.8	0	0	0	0	111.5	L233 F240 H247 L248	L233-T242 WeakPolarHBondContact CA-O 3.46Å; L233-T242 WeakPolarHBondContact CB-O 3.24Å; L233-T242 PolarHBondContact N-O 2.79Å; L233-T242 PolarHBondContact O-N 2.96Å; F240-T242 HydrophobicContact CE1-CG2 3.89Å; F240-T242 HydrophobicContact CZ-CG2 4.44Å; T242-H247 HydrophobicContact CG2-CB 3.98Å; T242-L248 HydrophobicContact CG2-CB 3.93Å
243	E	85.9	Confident	83.2	Confident	77 Å²	77	58.6 Å²	58.6	36%	0.36	30%	0.297	S	S	.	.	S	Bend	trans	-85.6	-10.9	175.1	75	-179.1	137.3	0	0	113.9	I227 K231	I227-E243 HydrophobicContact CG2-CB 3.7Å; K231-E243 WeakPolarHBondContact O-CA 3.11Å
244	Y	82.7	Confident	83.2	Confident	115 Å²	115	61.1 Å²	61.1	45%	0.451	31%	0.31	S	S	.	.			trans	-113	119.4	-171.4	-59.3	-75.4	0	0	0	112.5	H246 H247 L248	Y244-H246 AromaticContact CG-CE1 3.99Å; Y244-H246 PolarHBondContact O-N 2.9Å; Y244-H246 VanDerWaalsContact O-N 3.1Å; Y244-H247 AromaticContact CD2-CD2 3.76Å; Y244-H247 PolarHBondContact O-N 3.42Å; Y244-L248 PolarHBondContact O-N 2.86Å
245	K	82.3	Confident	83	Confident	78 Å²	78	61.2 Å²	61.2	34%	0.339	30%	0.301	S	S	.	.	H	α-helix	trans	-48.7	-41.7	178.4	-162.2	-168.8	-170.2	-59.1	0	113.4	L233 H247 L248 E249 L606 I609	L233-K245 HydrophobicContact CD1-CB 4.13Å; K245-H247 PolarHBondContact O-N 2.9Å; K245-L248 PolarHBondContact O-N 3.36Å; K245-E249 IonicContact NZ-OE1 3.67Å; K245-E249 PolarHBondContact NZ-OE1 3.14Å; K245-E249 WeakPolarHBondContact O-CG 3.2Å; K245-E249 PolarHBondContact O-N 2.91Å; K245-L606 HydrophobicContact CG-CD2 3.97Å; K245-I609 VanDerWaalsContact NZ-CD1 3.35Å
246	H	81.3	Confident	82.5	Confident	86 Å²	86	62 Å²	62	40%	0.398	30%	0.303	S	S	.	.	H	α-helix	trans	-68.3	-32.9	-179	68	-101.4	0	0	0	112.9	Y244 E249 Y250	Y244-H246 AromaticContact CG-CE1 3.99Å; Y244-H246 PolarHBondContact O-N 2.9Å; Y244-H246 VanDerWaalsContact O-N 3.1Å; H246-E249 PolarHBondContact O-N 2.86Å; H246-Y250 HydrophobicContact CB-CE2 4.22Å; H246-Y250 WeakPolarHBondContact O-CD2 3.37Å; H246-Y250 PolarHBondContact O-N 3.21Å
247	H	82.6	Confident	82.1	Confident	89 Å²	89	62.4 Å²	62.4	41%	0.412	30%	0.3	S	S	.	.	H	α-helix	trans	-68.7	-40.2	174.2	-78.2	-48.9	0	0	0	111.2	T242 Y244 K245 Y250 H251	T242-H247 HydrophobicContact CG2-CB 3.98Å; Y244-H247 AromaticContact CD2-CD2 3.76Å; Y244-H247 PolarHBondContact O-N 3.42Å; K245-H247 PolarHBondContact O-N 2.9Å; H247-Y250 PolarHBondContact O-N 3Å; H247-H251 VanDerWaalsContact O-CB 3.23Å; H247-H251 WeakPolarHBondContact O-CB 3.48Å; H247-H251 PolarHBondContact O-N 3.28Å
248	L	85.7	Confident	81.8	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-41.5	173.1	-178.4	59.5	0	0	0	111.7	L233 A234 C235 T242 Y244 K245 Y250 H251 L252 L606	L233-L248 HydrophobicContact CB-CD2 3.8Å; A234-L248 WeakPolarHBondContact O-CD2 3.4Å; C235-L248 HydrophobicContact CB-CD1 4Å; T242-L248 HydrophobicContact CG2-CB 3.93Å; Y244-L248 PolarHBondContact O-N 2.86Å; K245-L248 PolarHBondContact O-N 3.36Å; L248-Y250 PolarHBondContact O-N 3.26Å; L248-H251 PolarHBondContact O-N 3.05Å; L248-L252 HydrophobicContact CD1-CD1 4.24Å; L248-L252 HydrophobicContact CD1-CG 4.05Å; L248-L252 HydrophobicContact CG-CD1 3.94Å; L248-L252 HydrophobicContact CG-CG 4.26Å; L248-L252 WeakPolarHBondContact O-CB 3.49Å; L248-L252 WeakPolarHBondContact O-CG 3.42Å; L248-L252 PolarHBondContact O-N 3.04Å; L248-L606 HydrophobicContact CD2-CD1 4.21Å; L248-L606 HydrophobicContact CD2-CD2 4.27Å
249	E	82.6	Confident	81.7	Confident	44 Å²	44	62.1 Å²	62.1	21%	0.206	30%	0.298	C	S	.	.	H	α-helix	trans	-61.2	-43	175.5	-75.9	176.6	-157.2	0	0	113	K245 H246 R253	K245-E249 IonicContact NZ-OE1 3.67Å; K245-E249 PolarHBondContact NZ-OE1 3.14Å; K245-E249 WeakPolarHBondContact O-CG 3.2Å; K245-E249 PolarHBondContact O-N 2.91Å; H246-E249 PolarHBondContact O-N 2.86Å; E249-R253 WeakPolarHBondContact O-CG 3.43Å; E249-R253 PolarHBondContact O-N 3.34Å; E249-R253 VanDerWaalsContact O-N 3.16Å; E249-R253 IonicContact OE2-NH2 2.75Å
250	Y	81.7	Confident	81.7	Confident	76 Å²	76	60.8 Å²	60.8	30%	0.298	29%	0.29	S	S	.	.	H	α-helix	trans	-67.4	-36.9	175	-64.8	-49.1	0	0	0	112	H246 H247 L248 N254 V271 N272	H246-Y250 HydrophobicContact CB-CE2 4.22Å; H246-Y250 WeakPolarHBondContact O-CD2 3.37Å; H246-Y250 PolarHBondContact O-N 3.21Å; H247-Y250 PolarHBondContact O-N 3Å; L248-Y250 PolarHBondContact O-N 3.26Å; Y250-N254 PolarHBondContact O-N 3.08Å; Y250-V271 HydrophobicContact CD1-CG1 4.35Å; Y250-V271 WeakPolarHBondContact O-CG1 3.34Å; Y250-N272 HydrophobicContact CD1-CB 4.09Å; Y250-N272 HydrophobicContact CE1-CB 3.94Å
251	H	84.4	Confident	81.7	Confident	38 Å²	38	61.1 Å²	61.1	18%	0.176	29%	0.291	C	S	.	.	H	α-helix	trans	-67.3	-45.8	176.9	172.7	81.1	0	0	0	112.1	C235 C238 F240 H247 L248 R253 N254 H255	C235-H251 WeakPolarHBondContact CB-NE2 3.41Å; C235-H251 VanDerWaalsContact SG-CD2 3.54Å; C235-H251 PolarHBondContact SG-NE2 3.34Å; C238-H251 PolarHBondContact SG-CE1 3.42Å; C238-H251 PolarHBondContact SG-NE2 2.97Å; F240-H251 HydrophobicContact CD1-CB 4.11Å; F240-H251 AromaticContact CD1-CD2 3.55Å; F240-H251 AromaticContact CD1-CE1 3.84Å; F240-H251 AromaticContact CD1-CG 3.52Å; F240-H251 AromaticContact CD1-ND1 3.7Å; F240-H251 AromaticContact CD1-NE2 3.75Å; F240-H251 HydrophobicContact CE1-CB 3.89Å; F240-H251 AromaticContact CE1-CG 3.8Å; F240-H251 AromaticContact CG-CE1 3.66Å; F240-H251 AromaticContact CG-ND1 3.79Å; F240-H251 AromaticContact CG-NE2 3.87Å; H247-H251 VanDerWaalsContact O-CB 3.23Å; H247-H251 WeakPolarHBondContact O-CB 3.48Å; H247-H251 PolarHBondContact O-N 3.28Å; L248-H251 PolarHBondContact O-N 3.05Å; H251-R253 PolarHBondContact O-N 3.37Å; H251-N254 VanDerWaalsContact O-CB 3.27Å; H251-N254 WeakPolarHBondContact O-CB 3.43Å; H251-N254 PolarHBondContact O-N 2.84Å; H251-H255 AromaticContact CD2-CD2 3.96Å; H251-H255 AromaticContact CE1-CD2 3.92Å; H251-H255 AromaticContact CE1-NE2 3.61Å; H251-H255 AromaticContact NE2-CD2 3.45Å; H251-H255 PolarHBondContact NE2-CD2 3.13Å; H251-H255 AromaticContact NE2-NE2 3.27Å; H251-H255 PolarHBondContact NE2-NE2 3.21Å; H251-H255 PolarHBondContact O-N 3.25Å
252	L	83.8	Confident	81.7	Confident	5 Å²	5	67.1 Å²	67.1	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-57.6	-44.9	174.9	-79.6	169.7	0	0	0	112.1	P236 L248 N254 H255 F256	P236-L252 HydrophobicContact CG-CD2 4.3Å; L248-L252 HydrophobicContact CD1-CD1 4.24Å; L248-L252 HydrophobicContact CD1-CG 4.05Å; L248-L252 HydrophobicContact CG-CD1 3.94Å; L248-L252 HydrophobicContact CG-CG 4.26Å; L248-L252 WeakPolarHBondContact O-CB 3.49Å; L248-L252 WeakPolarHBondContact O-CG 3.42Å; L248-L252 PolarHBondContact O-N 3.04Å; L252-N254 PolarHBondContact O-N 2.9Å; L252-N254 VanDerWaalsContact O-N 3.16Å; L252-H255 WeakPolarHBondContact O-CA 3.43Å; L252-H255 WeakPolarHBondContact O-CB 3.46Å; L252-H255 PolarHBondContact O-N 2.98Å; L252-F256 HydrophobicContact CD2-CE2 4.34Å; L252-F256 WeakPolarHBondContact O-CD2 3.29Å; L252-F256 PolarHBondContact O-N 3.08Å; L252-F256 VanDerWaalsContact O-N 3.14Å
253	R	82	Confident	82	Confident	55 Å²	55	67.2 Å²	67.2	21%	0.208	32%	0.317	C	S	.	.	H	α-helix	trans	-57.1	-31	175.4	-73.4	175.4	-154.7	169.1	8.7	112.9	E249 H251 F256 N257 S258 V271 L613	E249-R253 WeakPolarHBondContact O-CG 3.43Å; E249-R253 PolarHBondContact O-N 3.34Å; E249-R253 VanDerWaalsContact O-N 3.16Å; E249-R253 IonicContact OE2-NH2 2.75Å; H251-R253 PolarHBondContact O-N 3.37Å; R253-F256 CarbonylContact O-C 3.56Å; R253-F256 PolarHBondContact O-N 2.82Å; R253-N257 PolarHBondContact O-N 2.95Å; R253-N257 VanDerWaalsContact O-N 3.16Å; R253-S258 PolarHBondContact O-N 3.01Å; R253-V271 HydrophobicContact CB-CG1 3.48Å; R253-V271 VanDerWaalsContact CB-CG1 3.48Å; R253-V271 HydrophobicContact CG-CG1 4.32Å; R253-V271 PolarHBondContact NH1-O 3.14Å; R253-L613 HydrophobicContact CG-CD1 4.31Å; R253-L613 HydrophobicContact CG-CD2 4.43Å
254	N	80.9	Confident	82	Confident	96 Å²	96	68.7 Å²	68.7	51%	0.513	34%	0.337	S	S	.	.	H	α-helix	trans	-68.9	-39.8	174.5	-161.2	77.4	0	0	0	111.9	Y250 H251 L252 F256 N257	Y250-N254 PolarHBondContact O-N 3.08Å; H251-N254 VanDerWaalsContact O-CB 3.27Å; H251-N254 WeakPolarHBondContact O-CB 3.43Å; H251-N254 PolarHBondContact O-N 2.84Å; L252-N254 PolarHBondContact O-N 2.9Å; L252-N254 VanDerWaalsContact O-N 3.16Å; N254-F256 PolarHBondContact O-N 3.17Å; N254-N257 PolarHBondContact O-N 2.92Å; N254-N257 VanDerWaalsContact O-N 3.09Å
255	H	80	Confident	82.2	Confident	61 Å²	61	69.9 Å²	69.9	28%	0.282	34%	0.344	S	S	.	.	H	α-helix	trans	-64.2	-22.8	172.1	-83	-73.5	0	0	0	114.3	K237 C238 H251 L252	K237-H255 HydrophobicContact CD-CB 3.9Å; C238-H255 PolarHBondContact SG-NE2 3.41Å; C238-H255 VanDerWaalsContact SG-NE2 3.39Å; H251-H255 AromaticContact CD2-CD2 3.96Å; H251-H255 AromaticContact CE1-CD2 3.92Å; H251-H255 AromaticContact CE1-NE2 3.61Å; H251-H255 AromaticContact NE2-CD2 3.45Å; H251-H255 PolarHBondContact NE2-CD2 3.13Å; H251-H255 AromaticContact NE2-NE2 3.27Å; H251-H255 PolarHBondContact NE2-NE2 3.21Å; H251-H255 PolarHBondContact O-N 3.25Å; L252-H255 WeakPolarHBondContact O-CA 3.43Å; L252-H255 WeakPolarHBondContact O-CB 3.46Å; L252-H255 PolarHBondContact O-N 2.98Å
256	F	75.2	Confident	82.5	Confident	28 Å²	28	68.5 Å²	68.5	12%	0.123	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	10.1	174.1	-62.7	-67.8	0	0	0	113	L252 R253 N254 S258 L613 Q614	L252-F256 HydrophobicContact CD2-CE2 4.34Å; L252-F256 WeakPolarHBondContact O-CD2 3.29Å; L252-F256 PolarHBondContact O-N 3.08Å; L252-F256 VanDerWaalsContact O-N 3.14Å; R253-F256 CarbonylContact O-C 3.56Å; R253-F256 PolarHBondContact O-N 2.82Å; N254-F256 PolarHBondContact O-N 3.17Å; F256-S258 PolarHBondContact O-N 2.98Å; F256-L613 HydrophobicContact CB-CB 4.44Å; F256-L613 HydrophobicContact CD1-CB 4.42Å; F256-L613 HydrophobicContact CD2-CB 3.49Å; F256-L613 VanDerWaalsContact CD2-CB 3.49Å; F256-L613 HydrophobicContact CD2-CD1 3.83Å; F256-L613 HydrophobicContact CD2-CG 4.23Å; F256-L613 HydrophobicContact CE2-CB 3.74Å; F256-L613 HydrophobicContact CE2-CD1 4.11Å; F256-L613 HydrophobicContact CG-CB 3.87Å; F256-L613 HydrophobicContact CZ-CB 4.31Å; F256-Q614 HydrophobicContact CD1-CG 4.4Å; F256-Q614 HydrophobicContact CE1-CG 3.42Å; F256-Q614 VanDerWaalsContact CE1-CG 3.42Å; F256-Q614 HydrophobicContact CZ-CG 3.81Å
257	N	73.9	Confident	82.8	Confident	110 Å²	110	72.2 Å²	72.2	59%	0.588	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	18	-173.2	-74.5	-55.3	0	0	0	115.1	R253 N254 K259	R253-N257 PolarHBondContact O-N 2.95Å; R253-N257 VanDerWaalsContact O-N 3.16Å; N254-N257 PolarHBondContact O-N 2.92Å; N254-N257 VanDerWaalsContact O-N 3.09Å; N257-K259 PolarHBondContact O-N 3.49Å
258	S	74.2	Confident	83	Confident	41 Å²	41	72.3 Å²	72.3	29%	0.287	36%	0.364	S	S	.	.			trans	-77.2	99.9	-171.3	-169.9	0	0	0	0	110.4	R253 F256 P260	R253-S258 PolarHBondContact O-N 3.01Å; F256-S258 PolarHBondContact O-N 2.98Å; S258-P260 WeakPolarHBondContact O-CD 3.48Å
259	K	82.1	Confident	83.1	Confident	99 Å²	99	73.8 Å²	73.8	43%	0.43	38%	0.375	S	S	.	.			trans	-111.7	68.8	-178	-69.9	166.5	176.8	175.5	0	110.6	N257 F261 C270 V271	N257-K259 PolarHBondContact O-N 3.49Å; K259-F261 PolarHBondContact O-N 2.76Å; K259-C270 CarbonylContact C-O 3.55Å; K259-C270 VanDerWaalsContact C-O 3.25Å; K259-C270 VanDerWaalsContact CA-O 3.31Å; K259-C270 WeakPolarHBondContact CA-O 3.29Å; K259-V271 HydrophobicContact CG-CG2 4.12Å
260	P	81.1	Confident	83.2	Confident	75 Å²	75	72 Å²	72	49%	0.487	37%	0.367	S	S	.	.			trans	-68.7	-17.5	-172.3	28.7	-36.7	0	0	0	114.1	S258 K262	S258-P260 WeakPolarHBondContact O-CD 3.48Å; P260-K262 PolarHBondContact O-N 2.94Å
261	F	82.9	Confident	83.3	Confident	61 Å²	61	69.4 Å²	69.4	27%	0.268	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	91.7	-179.4	-59	-75.4	0	0	0	110.5	K259 S269 C270 N272 K273 L276	K259-F261 PolarHBondContact O-N 2.76Å; F261-S269 WeakPolarHBondContact O-CA 3.29Å; F261-C270 PolarHBondContact N-O 3.41Å; F261-C270 VanDerWaalsContact N-O 3.11Å; F261-C270 PolarHBondContact O-N 2.99Å; F261-C270 PolarHBondContact O-SG 3.24Å; F261-C270 VanDerWaalsContact O-SG 3.41Å; F261-N272 VanDerWaalsContact CD2-C 3.5Å; F261-K273 HydrophobicContact CD1-CB 4.01Å; F261-K273 HydrophobicContact CD1-CG 4.42Å; F261-K273 HydrophobicContact CE1-CB 3.75Å; F261-K273 HydrophobicContact CE1-CG 4.29Å; F261-K273 HydrophobicContact CE2-CB 4.44Å; F261-K273 HydrophobicContact CG-CB 4.48Å; F261-K273 HydrophobicContact CZ-CB 3.97Å; F261-L276 HydrophobicContact CB-CB 4.09Å; F261-L276 HydrophobicContact CB-CD2 3.96Å
262	K	86	Confident	83.3	Confident	156 Å²	156	69.4 Å²	69.4	68%	0.678	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	150.4	172.8	-55.3	-169.8	177.9	-179.7	0	111.3	P260 L276	P260-K262 PolarHBondContact O-N 2.94Å; K262-L276 WeakPolarHBondContact O-CD2 3.29Å
263	C	89.9	Confident	83.4	Confident	16 Å²	16	76.2 Å²	76.2	11%	0.108	39%	0.39	C	S	.	.			trans	-80.4	147.3	167.9	-177.1	0	0	0	0	110.9	K265 C266 Y268 L276 H279 M280 H283	C263-K265 PolarHBondContact SG-N 3.06Å; C263-C266 WeakPolarHBondContact CB-O 3.35Å; C263-Y268 PolarHBondContact N-O 3.37Å; C263-L276 HydrophobicContact CB-CD1 4.03Å; C263-H279 WeakPolarHBondContact CB-NE2 3.25Å; C263-H279 PolarHBondContact SG-NE2 3.37Å; C263-M280 PolarHBondContact SG-SD 2.9Å; C263-H283 PolarHBondContact SG-NE2 3.19Å; C263-H283 VanDerWaalsContact SG-NE2 3.38Å
264	S	87	Confident	83.4	Confident	109 Å²	109	77.3 Å²	77.3	76%	0.762	41%	0.406	S	S	*	.	S	Bend	trans	-87.7	-9.8	174.1	54.8	0	0	0	0	113.8
265	K	86	Confident	83.6	Confident	139 Å²	139	77.8 Å²	77.8	60%	0.604	41%	0.406	S	S	*	.	S	Bend	trans	-113.8	-6.8	-176.8	-67.8	-172.4	172.8	-169.1	0	114.4	C263 M280 H283	C263-K265 PolarHBondContact SG-N 3.06Å; K265-M280 HydrophobicContact CD-CE 4.38Å; K265-M280 HydrophobicContact CG-CE 4.48Å; K265-H283 HydrophobicContact CD-CB 3.88Å
266	C	88.9	Confident	84	Confident	50 Å²	50	76.2 Å²	76.2	34%	0.338	40%	0.4	S	S	.	.	S	Bend	trans	-164.1	173.7	170.3	70.4	0	0	0	0	111.2	C263 Y268 H279 H283	C263-C266 WeakPolarHBondContact CB-O 3.35Å; C266-Y268 PolarHBondContact O-N 3.22Å; C266-Y268 VanDerWaalsContact SG-CB 3.58Å; C266-H279 VanDerWaalsContact SG-CE1 3.53Å; C266-H279 PolarHBondContact SG-NE2 3.04Å; C266-H279 VanDerWaalsContact SG-NE2 3.43Å; C266-H283 PolarHBondContact SG-NE2 2.95Å
267	N	87.7	Confident	84.5	Confident	164 Å²	164	79.7 Å²	79.7	88%	0.877	42%	0.419	S	S	*	.	S	Bend	trans	-71.2	4.9	-176.6	-60.4	-14.5	0	0	0	114.8	S269	N267-S269 PolarHBondContact O-N 3.34Å; N267-S269 PolarHBondContact O-OG 3.36Å
268	Y	87.5	Confident	84.9	Confident	90 Å²	90	77 Å²	77	35%	0.353	41%	0.409	S	S	.	.			trans	-63.3	131.5	179.2	-178.2	-96.6	0	0	0	111.7	C263 C266 C270 M275 H279	C263-Y268 PolarHBondContact N-O 3.37Å; C266-Y268 PolarHBondContact O-N 3.22Å; C266-Y268 VanDerWaalsContact SG-CB 3.58Å; Y268-C270 HydrophobicContact CE1-CB 3.68Å; Y268-M275 WeakPolarHBondContact OH-CG 3.49Å; Y268-H279 VanDerWaalsContact CB-CE1 3.47Å; Y268-H279 WeakPolarHBondContact CB-CE1 3.43Å; Y268-H279 HydrophobicContact CD1-CB 4Å; Y268-H279 AromaticContact CD1-CD2 3.51Å; Y268-H279 AromaticContact CD1-CE1 3.79Å; Y268-H279 AromaticContact CD1-CG 3.4Å; Y268-H279 VanDerWaalsContact CD1-CG 3.4Å; Y268-H279 AromaticContact CD1-ND1 3.59Å; Y268-H279 AromaticContact CD1-NE2 3.75Å; Y268-H279 HydrophobicContact CE1-CB 3.79Å; Y268-H279 AromaticContact CE1-CG 3.72Å; Y268-H279 AromaticContact CG-CE1 3.61Å; Y268-H279 AromaticContact CG-CG 3.99Å; Y268-H279 AromaticContact CG-ND1 3.68Å; Y268-H279 AromaticContact CG-NE2 3.86Å
269	S	87.4	Confident	85.5	Confident	37 Å²	37	76.3 Å²	76.3	26%	0.259	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	138.1	-178.7	-57.3	0	0	0	0	110.7	F261 N267	F261-S269 WeakPolarHBondContact O-CA 3.29Å; N267-S269 PolarHBondContact O-N 3.34Å; N267-S269 PolarHBondContact O-OG 3.36Å
270	C	84.5	Confident	85.6	Confident	5 Å²	5	74.6 Å²	74.6	3%	0.034	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	168.2	-172.7	70.9	0	0	0	0	114.2	K259 F261 Y268 N272 M275 L276	K259-C270 CarbonylContact C-O 3.55Å; K259-C270 VanDerWaalsContact C-O 3.25Å; K259-C270 VanDerWaalsContact CA-O 3.31Å; K259-C270 WeakPolarHBondContact CA-O 3.29Å; F261-C270 PolarHBondContact N-O 3.41Å; F261-C270 VanDerWaalsContact N-O 3.11Å; F261-C270 PolarHBondContact O-N 2.99Å; F261-C270 PolarHBondContact O-SG 3.24Å; F261-C270 VanDerWaalsContact O-SG 3.41Å; Y268-C270 HydrophobicContact CE1-CB 3.68Å; C270-N272 PolarHBondContact SG-O 3.1Å; C270-M275 HydrophobicContact CB-CB 4.23Å; C270-M275 HydrophobicContact CB-CG 4.1Å; C270-L276 PolarHBondContact SG-N 3.05Å; C270-L276 VanDerWaalsContact SG-N 3.42Å
271	V	84.9	Confident	85.7	Confident	22 Å²	22	75.3 Å²	75.3	13%	0.133	39%	0.391	C	S	.	.	S	Bend	trans	-85.4	-19	-170	-180	0	0	0	0	113.7	Y250 R253 K259	Y250-V271 HydrophobicContact CD1-CG1 4.35Å; Y250-V271 WeakPolarHBondContact O-CG1 3.34Å; R253-V271 HydrophobicContact CB-CG1 3.48Å; R253-V271 VanDerWaalsContact CB-CG1 3.48Å; R253-V271 HydrophobicContact CG-CG1 4.32Å; R253-V271 PolarHBondContact NH1-O 3.14Å; K259-V271 HydrophobicContact CG-CG2 4.12Å
272	N	83.6	Confident	85.7	Confident	39 Å²	39	74.8 Å²	74.8	21%	0.209	40%	0.395	C	S	.	.			trans	-141.4	132.6	-170.6	-178.8	-16.8	0	0	0	111.8	Y250 F261 C270 S274 M275 L276	Y250-N272 HydrophobicContact CD1-CB 4.09Å; Y250-N272 HydrophobicContact CE1-CB 3.94Å; F261-N272 VanDerWaalsContact CD2-C 3.5Å; C270-N272 PolarHBondContact SG-O 3.1Å; N272-S274 PolarHBondContact O-N 3.12Å; N272-S274 VanDerWaalsContact O-N 3.15Å; N272-S274 PolarHBondContact OD1-N 3.16Å; N272-M275 WeakPolarHBondContact O-CA 3.28Å; N272-M275 VanDerWaalsContact O-CB 3.3Å; N272-M275 WeakPolarHBondContact O-CB 3.5Å; N272-M275 PolarHBondContact O-N 3.45Å; N272-L276 PolarHBondContact O-N 3.12Å; N272-L276 VanDerWaalsContact O-N 3.16Å
273	K	84.8	Confident	85.6	Confident	148 Å²	148	70 Å²	70	64%	0.643	38%	0.375	S	S	*	.	H	α-helix	trans	-53.2	-32.1	176.9	-168.7	173.7	-178.8	175.8	0	113.8	F261 M275 L276 N277	F261-K273 HydrophobicContact CD1-CB 4.01Å; F261-K273 HydrophobicContact CD1-CG 4.42Å; F261-K273 HydrophobicContact CE1-CB 3.75Å; F261-K273 HydrophobicContact CE1-CG 4.29Å; F261-K273 HydrophobicContact CE2-CB 4.44Å; F261-K273 HydrophobicContact CG-CB 4.48Å; F261-K273 HydrophobicContact CZ-CB 3.97Å; K273-M275 VanDerWaalsContact C-N 3.32Å; K273-L276 PolarHBondContact O-N 3.38Å; K273-N277 PolarHBondContact O-N 2.99Å
274	S	82.8	Confident	85.1	Confident	78 Å²	78	71.7 Å²	71.7	55%	0.545	39%	0.387	S	S	.	.	H	α-helix	trans	-68.7	-31	175.5	-57.3	0	0	0	0	112.9	N272 S278	N272-S274 PolarHBondContact O-N 3.12Å; N272-S274 VanDerWaalsContact O-N 3.15Å; N272-S274 PolarHBondContact OD1-N 3.16Å; S274-S278 WeakPolarHBondContact O-CB 3.46Å; S274-S278 PolarHBondContact O-N 3.48Å; S274-S278 VanDerWaalsContact O-N 3.12Å; S274-S278 PolarHBondContact O-OG 3.36Å
275	M	84.5	Confident	84.6	Confident	105 Å²	105	73.7 Å²	73.7	52%	0.517	39%	0.389	S	S	.	.	H	α-helix	trans	-71.6	-42.9	172.8	-166.7	68.4	76.6	0	0	109.6	Y268 C270 N272 K273 N277 S278 H279	Y268-M275 WeakPolarHBondContact OH-CG 3.49Å; C270-M275 HydrophobicContact CB-CB 4.23Å; C270-M275 HydrophobicContact CB-CG 4.1Å; N272-M275 WeakPolarHBondContact O-CA 3.28Å; N272-M275 VanDerWaalsContact O-CB 3.3Å; N272-M275 WeakPolarHBondContact O-CB 3.5Å; N272-M275 PolarHBondContact O-N 3.45Å; K273-M275 VanDerWaalsContact C-N 3.32Å; M275-N277 PolarHBondContact O-N 3.02Å; M275-S278 PolarHBondContact O-N 3.43Å; M275-H279 WeakPolarHBondContact O-CB 3.44Å; M275-H279 PolarHBondContact O-N 2.84Å
276	L	88.5	Confident	84.2	Confident	29 Å²	29	70.1 Å²	70.1	15%	0.152	37%	0.374	C	S	.	.	H	α-helix	trans	-59.7	-46.9	174.3	179.7	60.1	0	0	0	111.6	F261 K262 C263 C270 N272 K273 S278 H279 M280	F261-L276 HydrophobicContact CB-CB 4.09Å; F261-L276 HydrophobicContact CB-CD2 3.96Å; K262-L276 WeakPolarHBondContact O-CD2 3.29Å; C263-L276 HydrophobicContact CB-CD1 4.03Å; C270-L276 PolarHBondContact SG-N 3.05Å; C270-L276 VanDerWaalsContact SG-N 3.42Å; N272-L276 PolarHBondContact O-N 3.12Å; N272-L276 VanDerWaalsContact O-N 3.16Å; K273-L276 PolarHBondContact O-N 3.38Å; L276-S278 VanDerWaalsContact C-N 3.33Å; L276-S278 PolarHBondContact O-N 3.34Å; L276-H279 CarbonylContact O-C 3.48Å; L276-H279 WeakPolarHBondContact O-CB 3.45Å; L276-H279 PolarHBondContact O-N 3.41Å; L276-H279 VanDerWaalsContact O-N 3.14Å; L276-M280 HydrophobicContact CD1-CG 4.3Å; L276-M280 HydrophobicContact CD1-SD 4.29Å; L276-M280 HydrophobicContact CG-CG 4.4Å; L276-M280 WeakPolarHBondContact O-CG 3.11Å; L276-M280 PolarHBondContact O-N 3.28Å
277	N	85.5	Confident	83.8	Confident	100 Å²	100	72.8 Å²	72.8	54%	0.535	38%	0.378	S	S	.	.	H	α-helix	trans	-58.7	-43.9	176.3	-175.8	-79.4	0	0	0	112.1	K273 M275 H279 M280 K281	K273-N277 PolarHBondContact O-N 2.99Å; M275-N277 PolarHBondContact O-N 3.02Å; N277-H279 VanDerWaalsContact C-N 3.29Å; N277-H279 PolarHBondContact O-N 3.33Å; N277-M280 PolarHBondContact O-N 3Å; N277-K281 PolarHBondContact O-N 3.33Å
278	S	83.8	Confident	83.5	Confident	54 Å²	54	67.4 Å²	67.4	38%	0.378	35%	0.347	S	S	.	.	H	α-helix	trans	-63.7	-34.2	176.1	-56.1	0	0	0	0	112.7	S274 M275 L276 Y300	S274-S278 WeakPolarHBondContact O-CB 3.46Å; S274-S278 PolarHBondContact O-N 3.48Å; S274-S278 VanDerWaalsContact O-N 3.12Å; S274-S278 PolarHBondContact O-OG 3.36Å; M275-S278 PolarHBondContact O-N 3.43Å; L276-S278 VanDerWaalsContact C-N 3.33Å; L276-S278 PolarHBondContact O-N 3.34Å; S278-Y300 WeakPolarHBondContact O-CE1 3.49Å; S278-Y300 PolarHBondContact O-OH 3.44Å
279	H	86.7	Confident	83.3	Confident	27 Å²	27	64.9 Å²	64.9	13%	0.125	34%	0.337	C	S	.	.	H	α-helix	trans	-72.9	-38.3	172.8	167.3	79.3	0	0	0	112.5	C263 C266 Y268 M275 L276 N277 K281 S282 H283	C263-H279 WeakPolarHBondContact CB-NE2 3.25Å; C263-H279 PolarHBondContact SG-NE2 3.37Å; C266-H279 VanDerWaalsContact SG-CE1 3.53Å; C266-H279 PolarHBondContact SG-NE2 3.04Å; C266-H279 VanDerWaalsContact SG-NE2 3.43Å; Y268-H279 VanDerWaalsContact CB-CE1 3.47Å; Y268-H279 WeakPolarHBondContact CB-CE1 3.43Å; Y268-H279 HydrophobicContact CD1-CB 4Å; Y268-H279 AromaticContact CD1-CD2 3.51Å; Y268-H279 AromaticContact CD1-CE1 3.79Å; Y268-H279 AromaticContact CD1-CG 3.4Å; Y268-H279 VanDerWaalsContact CD1-CG 3.4Å; Y268-H279 AromaticContact CD1-ND1 3.59Å; Y268-H279 AromaticContact CD1-NE2 3.75Å; Y268-H279 HydrophobicContact CE1-CB 3.79Å; Y268-H279 AromaticContact CE1-CG 3.72Å; Y268-H279 AromaticContact CG-CE1 3.61Å; Y268-H279 AromaticContact CG-CG 3.99Å; Y268-H279 AromaticContact CG-ND1 3.68Å; Y268-H279 AromaticContact CG-NE2 3.86Å; M275-H279 WeakPolarHBondContact O-CB 3.44Å; M275-H279 PolarHBondContact O-N 2.84Å; L276-H279 CarbonylContact O-C 3.48Å; L276-H279 WeakPolarHBondContact O-CB 3.45Å; L276-H279 PolarHBondContact O-N 3.41Å; L276-H279 VanDerWaalsContact O-N 3.14Å; N277-H279 VanDerWaalsContact C-N 3.29Å; N277-H279 PolarHBondContact O-N 3.33Å; H279-K281 PolarHBondContact O-N 3.24Å; H279-K281 VanDerWaalsContact O-N 3.1Å; H279-S282 WeakPolarHBondContact O-CB 3.35Å; H279-S282 PolarHBondContact O-N 3.14Å; H279-S282 PolarHBondContact O-OG 3.33Å; H279-H283 AromaticContact CE1-NE2 3.66Å; H279-H283 AromaticContact NE2-CD2 3.59Å; H279-H283 AromaticContact NE2-NE2 3.28Å; H279-H283 PolarHBondContact NE2-NE2 3.25Å
280	M	84.6	Confident	83.1	Confident	63 Å²	63	69.5 Å²	69.5	31%	0.31	35%	0.349	S	S	.	.	H	α-helix	trans	-59.2	-26.5	175.2	-68.8	-55.2	-67.2	0	0	112.3	C263 K265 L276 N277 S282 H283	C263-M280 PolarHBondContact SG-SD 2.9Å; K265-M280 HydrophobicContact CD-CE 4.38Å; K265-M280 HydrophobicContact CG-CE 4.48Å; L276-M280 HydrophobicContact CD1-CG 4.3Å; L276-M280 HydrophobicContact CD1-SD 4.29Å; L276-M280 HydrophobicContact CG-CG 4.4Å; L276-M280 WeakPolarHBondContact O-CG 3.11Å; L276-M280 PolarHBondContact O-N 3.28Å; N277-M280 PolarHBondContact O-N 3Å; M280-S282 VanDerWaalsContact C-N 3.31Å; M280-S282 PolarHBondContact O-N 2.97Å; M280-H283 PolarHBondContact O-N 3.36Å
281	K	82.7	Confident	83.2	Confident	90 Å²	90	69.6 Å²	69.6	39%	0.391	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-69.4	-18.8	171.2	-62.4	-174.1	179.3	-163.7	0	114.5	N277 H279 H283 S284 K299 Y300	N277-K281 PolarHBondContact O-N 3.33Å; H279-K281 PolarHBondContact O-N 3.24Å; H279-K281 VanDerWaalsContact O-N 3.1Å; K281-H283 VanDerWaalsContact C-N 3.29Å; K281-S284 PolarHBondContact O-OG 2.86Å; K281-K299 VanDerWaalsContact O-CD 3.26Å; K281-K299 WeakPolarHBondContact O-CD 3.1Å; K281-Y300 HydrophobicContact CB-CE1 4.31Å
282	S	83	Confident	83.2	Confident	49 Å²	49	71.4 Å²	71.4	34%	0.343	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-73.6	-26.1	172.2	75.5	0	0	0	0	111.9	H279 M280 K299	H279-S282 WeakPolarHBondContact O-CB 3.35Å; H279-S282 PolarHBondContact O-N 3.14Å; H279-S282 PolarHBondContact O-OG 3.33Å; M280-S282 VanDerWaalsContact C-N 3.31Å; M280-S282 PolarHBondContact O-N 2.97Å; S282-K299 PolarHBondContact O-NZ 3.35Å
283	H	83.9	Confident	83.1	Confident	56 Å²	56	73.7 Å²	73.7	26%	0.259	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-81.6	-6.1	179.3	-76.7	-71.9	0	0	0	115.6	C263 K265 C266 H279 M280 K281	C263-H283 PolarHBondContact SG-NE2 3.19Å; C263-H283 VanDerWaalsContact SG-NE2 3.38Å; K265-H283 HydrophobicContact CD-CB 3.88Å; C266-H283 PolarHBondContact SG-NE2 2.95Å; H279-H283 AromaticContact CE1-NE2 3.66Å; H279-H283 AromaticContact NE2-CD2 3.59Å; H279-H283 AromaticContact NE2-NE2 3.28Å; H279-H283 PolarHBondContact NE2-NE2 3.25Å; M280-H283 PolarHBondContact O-N 3.36Å; K281-H283 VanDerWaalsContact C-N 3.29Å
284	S	79.7	Confident	83.3	Confident	51 Å²	51	68.9 Å²	68.9	36%	0.357	36%	0.363	S	S	.	.	S	Bend	trans	-86.5	141.4	164.5	59.5	0	0	0	0	109.4	K281 F286 K299	K281-S284 PolarHBondContact O-OG 2.86Å; S284-F286 PolarHBondContact O-N 2.92Å; S284-K299 WeakPolarHBondContact O-CE 3.36Å; S284-K299 PolarHBondContact O-NZ 3.07Å
285	N	76.2	Confident	83.4	Confident	152 Å²	152	72.2 Å²	72.2	81%	0.813	38%	0.381	S	S	*	.			trans	-81.2	10.4	174.2	-67.3	-24	0	0	0	112.7	Y287	N285-Y287 VanDerWaalsContact O-CD2 3.31Å; N285-Y287 WeakPolarHBondContact O-CD2 3.47Å
286	F	76.7	Confident	83.6	Confident	64 Å²	64	71.2 Å²	71.2	28%	0.281	37%	0.372	S	S	.	.			trans	-97.8	127.2	-172.4	-169.2	-110.9	0	0	0	112.3	S284 Q288 I319 N320	S284-F286 PolarHBondContact O-N 2.92Å; F286-Q288 HydrophobicContact CD1-CG 3.64Å; F286-Q288 HydrophobicContact CE1-CB 4.47Å; F286-Q288 HydrophobicContact CE1-CG 3.54Å; F286-I319 WeakPolarHBondContact CE1-O 3.45Å; F286-I319 HydrophobicContact CE2-CG2 4.41Å; F286-I319 HydrophobicContact CZ-CB 3.92Å; F286-I319 HydrophobicContact CZ-CG2 3.78Å; F286-N320 VanDerWaalsContact CE1-O 3.3Å; F286-N320 WeakPolarHBondContact CE1-O 3.34Å; F286-N320 WeakPolarHBondContact CZ-O 3.43Å
287	Y	81.8	Confident	83.4	Confident	106 Å²	106	71.3 Å²	71.3	42%	0.416	38%	0.377	S	S	.	.			trans	-110.6	89.6	-175.3	-70	-106.4	0	0	0	110.3	N285 Y289 A297 K299	N285-Y287 VanDerWaalsContact O-CD2 3.31Å; N285-Y287 WeakPolarHBondContact O-CD2 3.47Å; Y287-Y289 VanDerWaalsContact C-N 3.3Å; Y287-Y289 PolarHBondContact O-N 3.4Å; Y287-A297 HydrophobicContact CD1-CB 4.05Å; Y287-A297 HydrophobicContact CG-CB 4.25Å; Y287-K299 HydrophobicContact CD1-CG 3.95Å; Y287-K299 HydrophobicContact CE1-CG 4.14Å; Y287-K299 HydrophobicContact CG-CG 4.26Å
288	Q	80.9	Confident	83.4	Confident	50 Å²	50	67.1 Å²	67.1	23%	0.234	36%	0.355	C	S	.	.			trans	-61.1	-31	-174.5	-75.5	175.9	-29.2	0	0	114.8	F286 I319	F286-Q288 HydrophobicContact CD1-CG 3.64Å; F286-Q288 HydrophobicContact CE1-CB 4.47Å; F286-Q288 HydrophobicContact CE1-CG 3.54Å; Q288-I319 PolarHBondContact O-N 2.84Å
289	Y	82.5	Confident	83.4	Confident	38 Å²	38	66 Å²	66	15%	0.149	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	117.1	-170.3	-57.9	-76.2	0	0	0	109.9	Y287 A297 T298 C301 V318	Y287-Y289 VanDerWaalsContact C-N 3.3Å; Y287-Y289 PolarHBondContact O-N 3.4Å; Y289-A297 CarbonylContact O-C 3.56Å; Y289-A297 WeakPolarHBondContact O-CA 3.33Å; Y289-T298 WeakPolarHBondContact CB-O 3.43Å; Y289-T298 PolarHBondContact N-O 3.24Å; Y289-T298 PolarHBondContact O-N 3.27Å; Y289-C301 HydrophobicContact CD1-CB 4.34Å; Y289-C301 HydrophobicContact CD2-CB 4.5Å; Y289-C301 HydrophobicContact CE1-CB 3.83Å; Y289-C301 HydrophobicContact CE2-CB 3.99Å; Y289-C301 VanDerWaalsContact CE2-N 3.32Å; Y289-V318 HydrophobicContact CD1-CG1 4.38Å; Y289-V318 HydrophobicContact CD1-CG2 4.04Å; Y289-V318 HydrophobicContact CE1-CG1 4.12Å; Y289-V318 HydrophobicContact CE1-CG2 4.1Å
290	R	83.6	Confident	83.2	Confident	133 Å²	133	68.6 Å²	68.6	50%	0.502	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	149.6	176	-66.8	-175.1	176.5	-164	-2.6	110.9	A297 A316	R290-A297 HydrophobicContact CG-CB 4.02Å; R290-A316 HydrophobicContact CB-CB 4.04Å; R290-A316 WeakPolarHBondContact O-CB 3.44Å; R290-A316 PolarHBondContact O-N 3.49Å; R290-A316 VanDerWaalsContact O-N 3.1Å
291	C	86.6	Confident	83.2	Confident	8 Å²	8	67.3 Å²	67.3	5%	0.054	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-72.7	151.2	159.9	-168.4	0	0	0	0	109.3	D293 C294 Y296 L304 H307 H313	C291-D293 PolarHBondContact SG-N 3.11Å; C291-C294 VanDerWaalsContact SG-SG 3.64Å; C291-Y296 PolarHBondContact N-O 2.9Å; C291-L304 HydrophobicContact CB-CD1 4.39Å; C291-H307 PolarHBondContact SG-NE2 3.48Å; C291-H307 VanDerWaalsContact SG-NE2 3.36Å; C291-H313 WeakPolarHBondContact SG-CB 3.37Å; C291-H313 PolarHBondContact SG-ND1 3.48Å; C291-H313 VanDerWaalsContact SG-ND1 3.4Å
292	A	84.1	Confident	83.2	Confident	59 Å²	59	69.6 Å²	69.6	49%	0.488	36%	0.361	S	S	.	.	S	Bend	trans	-80	-49	167	0	0	0	0	0	110	C294 S314 A316	A292-C294 VanDerWaalsContact C-N 3.28Å; A292-C294 PolarHBondContact O-N 3.17Å; A292-S314 PolarHBondContact N-O 3.43Å; A292-A316 HydrophobicContact CB-CB 4.19Å
293	D	82.9	Confident	83.5	Confident	88 Å²	88	69 Å²	69	47%	0.471	36%	0.357	S	S	.	.	S	Bend	trans	-82.1	-0.8	-166.3	-41.9	-21.5	0	0	0	114.3	C291 H313 S314	C291-D293 PolarHBondContact SG-N 3.11Å; D293-H313 HydrophobicContact CB-CB 4.18Å; D293-H313 WeakPolarHBondContact OD2-CA 3.48Å; D293-H313 WeakPolarHBondContact OD2-CB 3.46Å; D293-H313 IonicContact OD2-CD2 2.64Å; D293-H313 IonicContact OD2-CG 3.15Å; D293-S314 PolarHBondContact OD2-N 3.41Å
294	C	87.4	Confident	83.7	Confident	46 Å²	46	66.4 Å²	66.4	31%	0.311	35%	0.345	S	S	.	.	S	Bend	trans	-159.8	171.1	174.7	74.5	0	0	0	0	112.4	C291 A292 Y296 H307	C291-C294 VanDerWaalsContact SG-SG 3.64Å; A292-C294 VanDerWaalsContact C-N 3.28Å; A292-C294 PolarHBondContact O-N 3.17Å; C294-Y296 PolarHBondContact O-N 3.42Å; C294-Y296 VanDerWaalsContact SG-CB 3.55Å; C294-H307 PolarHBondContact SG-CE1 3.3Å; C294-H307 PolarHBondContact SG-NE2 3.07Å
295	T	86.6	Confident	84	Confident	149 Å²	149	66.8 Å²	66.8	91%	0.914	34%	0.34	S	S	*	.	S	Bend	trans	-68.2	1.7	-179.4	53.6	0	0	0	0	115.2	A297	T295-A297 PolarHBondContact O-N 3.42Å; T295-A297 VanDerWaalsContact O-N 3.15Å
296	Y	87.1	Confident	84.5	Confident	83 Å²	83	64.1 Å²	64.1	33%	0.325	33%	0.326	S	S	.	.			trans	-66.4	114.2	-177.2	-175.3	-99.5	0	0	0	112.5	C291 C294 T298 L304 H307	C291-Y296 PolarHBondContact N-O 2.9Å; C294-Y296 PolarHBondContact O-N 3.42Å; C294-Y296 VanDerWaalsContact SG-CB 3.55Å; Y296-T298 HydrophobicContact CE1-CG2 3.88Å; Y296-L304 HydrophobicContact CD1-CD1 4.34Å; Y296-H307 VanDerWaalsContact CB-CE1 3.49Å; Y296-H307 WeakPolarHBondContact CB-CE1 3.44Å; Y296-H307 HydrophobicContact CD1-CB 3.79Å; Y296-H307 AromaticContact CD1-CD2 3.79Å; Y296-H307 AromaticContact CD1-CG 3.43Å; Y296-H307 VanDerWaalsContact CD1-CG 3.43Å; Y296-H307 AromaticContact CD1-ND1 3.61Å; Y296-H307 HydrophobicContact CE1-CB 3.66Å; Y296-H307 AromaticContact CE1-CG 3.86Å; Y296-H307 AromaticContact CG-CE1 3.74Å; Y296-H307 AromaticContact CG-CG 3.86Å; Y296-H307 AromaticContact CG-ND1 3.52Å
297	A	85.7	Confident	85.1	Confident	32 Å²	32	62 Å²	62	26%	0.264	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	143.1	175.5	0	0	0	0	0	111	Y287 Y289 R290 T295	Y287-A297 HydrophobicContact CD1-CB 4.05Å; Y287-A297 HydrophobicContact CG-CB 4.25Å; Y289-A297 CarbonylContact O-C 3.56Å; Y289-A297 WeakPolarHBondContact O-CA 3.33Å; R290-A297 HydrophobicContact CG-CB 4.02Å; T295-A297 PolarHBondContact O-N 3.42Å; T295-A297 VanDerWaalsContact O-N 3.15Å
298	T	84.8	Confident	85.5	Confident	12 Å²	12	57.2 Å²	57.2	7%	0.074	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	156.5	-179.5	-173.5	0	0	0	0	113.4	Y289 Y296 Y300 S303 L304	Y289-T298 WeakPolarHBondContact CB-O 3.43Å; Y289-T298 PolarHBondContact N-O 3.24Å; Y289-T298 PolarHBondContact O-N 3.27Å; Y296-T298 HydrophobicContact CE1-CG2 3.88Å; T298-Y300 VanDerWaalsContact C-N 3.34Å; T298-Y300 WeakPolarHBondContact CG2-O 3.48Å; T298-Y300 PolarHBondContact OG1-N 3.22Å; T298-S303 WeakPolarHBondContact OG1-CB 3.4Å; T298-L304 HydrophobicContact CG2-CB 3.88Å
299	K	83.7	Confident	85.8	Confident	29 Å²	29	63.4 Å²	63.4	13%	0.126	32%	0.319	C	S	.	.	S	Bend	trans	-89.1	-3	177.7	-45.8	-173.8	-167.2	179.4	0	112.2	K281 S282 S284 Y287	K281-K299 VanDerWaalsContact O-CD 3.26Å; K281-K299 WeakPolarHBondContact O-CD 3.1Å; S282-K299 PolarHBondContact O-NZ 3.35Å; S284-K299 WeakPolarHBondContact O-CE 3.36Å; S284-K299 PolarHBondContact O-NZ 3.07Å; Y287-K299 HydrophobicContact CD1-CG 3.95Å; Y287-K299 HydrophobicContact CE1-CG 4.14Å; Y287-K299 HydrophobicContact CG-CG 4.26Å
300	Y	83.6	Confident	86.1	Confident	83 Å²	83	68.6 Å²	68.6	33%	0.325	34%	0.342	S	S	.	.			trans	-131.5	118.9	-172.9	-55	-69.6	0	0	0	112.7	S278 K281 T298 H302 S303 L304	S278-Y300 WeakPolarHBondContact O-CE1 3.49Å; S278-Y300 PolarHBondContact O-OH 3.44Å; K281-Y300 HydrophobicContact CB-CE1 4.31Å; T298-Y300 VanDerWaalsContact C-N 3.34Å; T298-Y300 WeakPolarHBondContact CG2-O 3.48Å; T298-Y300 PolarHBondContact OG1-N 3.22Å; Y300-H302 PolarHBondContact O-N 2.94Å; Y300-H302 VanDerWaalsContact O-N 3.1Å; Y300-S303 WeakPolarHBondContact O-CB 3.27Å; Y300-S303 PolarHBondContact O-N 3.11Å; Y300-L304 PolarHBondContact O-N 3.35Å
301	C	83.7	Confident	86.3	Confident	35 Å²	35	68.3 Å²	68.3	24%	0.236	34%	0.342	C	S	.	.	H	α-helix	trans	-50.3	-37	176.6	175.6	0	0	0	0	113.5	Y289 S303 L304 K305	Y289-C301 HydrophobicContact CD1-CB 4.34Å; Y289-C301 HydrophobicContact CD2-CB 4.5Å; Y289-C301 HydrophobicContact CE1-CB 3.83Å; Y289-C301 HydrophobicContact CE2-CB 3.99Å; Y289-C301 VanDerWaalsContact CE2-N 3.32Å; C301-S303 VanDerWaalsContact C-N 3.35Å; C301-S303 PolarHBondContact O-N 2.94Å; C301-L304 PolarHBondContact O-N 2.64Å; C301-K305 WeakPolarHBondContact O-CB 3.4Å; C301-K305 WeakPolarHBondContact O-CG 3.31Å; C301-K305 PolarHBondContact O-N 2.88Å; C301-K305 VanDerWaalsContact SG-CE 3.56Å
302	H	83.7	Confident	86.1	Confident	138 Å²	138	71.2 Å²	71.2	64%	0.639	37%	0.373	S	S	*	.	H	α-helix	trans	-65.8	-35.6	178.3	-174.9	68.8	0	0	0	113	Y300 K305 L306	Y300-H302 PolarHBondContact O-N 2.94Å; Y300-H302 VanDerWaalsContact O-N 3.1Å; H302-K305 PolarHBondContact O-N 3.45Å; H302-L306 WeakPolarHBondContact O-CB 3.49Å; H302-L306 PolarHBondContact O-N 3.23Å
303	S	87.3	Confident	86.3	Confident	37 Å²	37	70.7 Å²	70.7	26%	0.259	36%	0.361	S	S	.	.	H	α-helix	trans	-68.7	-39.8	176.5	-57.9	0	0	0	0	111.3	T298 Y300 C301 L306 H307	T298-S303 WeakPolarHBondContact OG1-CB 3.4Å; Y300-S303 WeakPolarHBondContact O-CB 3.27Å; Y300-S303 PolarHBondContact O-N 3.11Å; C301-S303 VanDerWaalsContact C-N 3.35Å; C301-S303 PolarHBondContact O-N 2.94Å; S303-L306 PolarHBondContact O-N 3.32Å; S303-H307 WeakPolarHBondContact O-CB 3.3Å; S303-H307 PolarHBondContact O-N 3.18Å
304	L	88.5	Confident	86	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-63.8	-50.5	172.2	-174.5	65.4	0	0	0	110.2	C291 Y296 T298 Y300 C301 L306 H307 L308 A315 V333	C291-L304 HydrophobicContact CB-CD1 4.39Å; Y296-L304 HydrophobicContact CD1-CD1 4.34Å; T298-L304 HydrophobicContact CG2-CB 3.88Å; Y300-L304 PolarHBondContact O-N 3.35Å; C301-L304 PolarHBondContact O-N 2.64Å; L304-L306 PolarHBondContact O-N 2.78Å; L304-L306 VanDerWaalsContact O-N 3.07Å; L304-H307 WeakPolarHBondContact O-CA 3.41Å; L304-H307 WeakPolarHBondContact O-CB 3.46Å; L304-H307 PolarHBondContact O-N 3.37Å; L304-L308 HydrophobicContact CD1-CD1 4.36Å; L304-L308 HydrophobicContact CD1-CD2 3.92Å; L304-L308 HydrophobicContact CD1-CG 3.98Å; L304-L308 HydrophobicContact CD2-CD1 4.28Å; L304-L308 HydrophobicContact CG-CD1 3.85Å; L304-L308 HydrophobicContact CG-CD2 4.33Å; L304-L308 HydrophobicContact CG-CG 3.94Å; L304-L308 VanDerWaalsContact O-CG 3.3Å; L304-L308 WeakPolarHBondContact O-CG 3.35Å; L304-L308 PolarHBondContact O-N 3.13Å; L304-A315 HydrophobicContact CD2-CB 4.45Å; L304-V333 HydrophobicContact CD2-CG1 4.46Å
305	K	86.1	Confident	85.5	Confident	59 Å²	59	69.4 Å²	69.4	26%	0.257	36%	0.361	S	S	.	.	H	α-helix	trans	-51.2	-33.6	174.7	-78.4	169.5	165.4	167.9	0	113.9	C301 H302 V333	C301-K305 WeakPolarHBondContact O-CB 3.4Å; C301-K305 WeakPolarHBondContact O-CG 3.31Å; C301-K305 PolarHBondContact O-N 2.88Å; C301-K305 VanDerWaalsContact SG-CE 3.56Å; H302-K305 PolarHBondContact O-N 3.45Å; K305-V333 WeakPolarHBondContact CE-O 3.36Å; K305-V333 HydrophobicContact CG-CG1 4.09Å; K305-V333 WeakPolarHBondContact CG-O 3.37Å
306	L	88.1	Confident	84.9	Confident	97 Å²	97	63.6 Å²	63.6	51%	0.508	33%	0.329	S	S	.	.	H	α-helix	trans	-79.3	-41.4	176.3	-176.3	62	0	0	0	112.1	H302 S303 L304 K310	H302-L306 WeakPolarHBondContact O-CB 3.49Å; H302-L306 PolarHBondContact O-N 3.23Å; S303-L306 PolarHBondContact O-N 3.32Å; L304-L306 PolarHBondContact O-N 2.78Å; L304-L306 VanDerWaalsContact O-N 3.07Å; L306-K310 WeakPolarHBondContact O-CB 3.37Å; L306-K310 PolarHBondContact O-N 3.4Å
307	H	88.5	Confident	83.9	Confident	19 Å²	19	65 Å²	65	9%	0.088	34%	0.342	C	S	.	.	H	α-helix	trans	-60.2	-54	175.2	171.3	87.7	0	0	0	111.6	C291 C294 Y296 S303 L304 R309 K310 Y311 H313	C291-H307 PolarHBondContact SG-NE2 3.48Å; C291-H307 VanDerWaalsContact SG-NE2 3.36Å; C294-H307 PolarHBondContact SG-CE1 3.3Å; C294-H307 PolarHBondContact SG-NE2 3.07Å; Y296-H307 VanDerWaalsContact CB-CE1 3.49Å; Y296-H307 WeakPolarHBondContact CB-CE1 3.44Å; Y296-H307 HydrophobicContact CD1-CB 3.79Å; Y296-H307 AromaticContact CD1-CD2 3.79Å; Y296-H307 AromaticContact CD1-CG 3.43Å; Y296-H307 VanDerWaalsContact CD1-CG 3.43Å; Y296-H307 AromaticContact CD1-ND1 3.61Å; Y296-H307 HydrophobicContact CE1-CB 3.66Å; Y296-H307 AromaticContact CE1-CG 3.86Å; Y296-H307 AromaticContact CG-CE1 3.74Å; Y296-H307 AromaticContact CG-CG 3.86Å; Y296-H307 AromaticContact CG-ND1 3.52Å; S303-H307 WeakPolarHBondContact O-CB 3.3Å; S303-H307 PolarHBondContact O-N 3.18Å; L304-H307 WeakPolarHBondContact O-CA 3.41Å; L304-H307 WeakPolarHBondContact O-CB 3.46Å; L304-H307 PolarHBondContact O-N 3.37Å; H307-R309 VanDerWaalsContact C-N 3.3Å; H307-R309 PolarHBondContact O-N 3.02Å; H307-K310 PolarHBondContact O-N 3.15Å; H307-Y311 AromaticContact CE1-CD2 3.7Å; H307-Y311 AromaticContact ND1-CD2 3.54Å; H307-Y311 AromaticContact ND1-CE2 3.78Å; H307-Y311 WeakPolarHBondContact O-CD2 3.49Å; H307-Y311 PolarHBondContact O-N 3.08Å; H307-H313 AromaticContact CD2-ND1 3.94Å; H307-H313 AromaticContact CE1-ND1 3.6Å; H307-H313 AromaticContact NE2-CE1 3.82Å; H307-H313 AromaticContact NE2-CG 3.99Å; H307-H313 AromaticContact NE2-ND1 2.97Å; H307-H313 PolarHBondContact NE2-ND1 3.31Å
308	L	89.2	Confident	82.9	Confident	5 Å²	5	64.3 Å²	64.3	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-54.2	-45.9	178.6	-59.4	176.4	0	0	0	111.1	L304 K310 G312 H313 S314 A315 V333 F334	L304-L308 HydrophobicContact CD1-CD1 4.36Å; L304-L308 HydrophobicContact CD1-CD2 3.92Å; L304-L308 HydrophobicContact CD1-CG 3.98Å; L304-L308 HydrophobicContact CD2-CD1 4.28Å; L304-L308 HydrophobicContact CG-CD1 3.85Å; L304-L308 HydrophobicContact CG-CD2 4.33Å; L304-L308 HydrophobicContact CG-CG 3.94Å; L304-L308 VanDerWaalsContact O-CG 3.3Å; L304-L308 WeakPolarHBondContact O-CG 3.35Å; L304-L308 PolarHBondContact O-N 3.13Å; L308-K310 PolarHBondContact O-N 2.91Å; L308-G312 CarbonylContact O-C 3.14Å; L308-G312 WeakPolarHBondContact O-CA 3.23Å; L308-G312 PolarHBondContact O-N 3.46Å; L308-H313 WeakPolarHBondContact CB-O 3.41Å; L308-H313 HydrophobicContact CD2-CB 3.97Å; L308-H313 VanDerWaalsContact CD2-O 3.29Å; L308-H313 WeakPolarHBondContact CD2-O 3.36Å; L308-H313 PolarHBondContact O-N 3.08Å; L308-S314 VanDerWaalsContact CD2-C 3.45Å; L308-S314 VanDerWaalsContact CD2-O 3.27Å; L308-S314 WeakPolarHBondContact CD2-O 2.94Å; L308-A315 HydrophobicContact CD1-CB 3.76Å; L308-V333 HydrophobicContact CD1-CG1 4.06Å; L308-F334 HydrophobicContact CD1-CZ 4.02Å
309	R	88.3	Confident	81.9	Confident	181 Å²	181	65.5 Å²	65.5	68%	0.683	34%	0.34	S	S	*	.	H	α-helix	trans	-67.5	-31	176.7	-165.1	-170.8	-58	112.6	7.1	113.7	H307	H307-R309 VanDerWaalsContact C-N 3.3Å; H307-R309 PolarHBondContact O-N 3.02Å
310	K	88.2	Confident	80.7	Confident	146 Å²	146	66.6 Å²	66.6	64%	0.635	35%	0.347	S	S	*	.	H	α-helix	trans	-76.3	-36.6	-178.4	-176.6	-177.3	171.4	-157.8	0	112.1	L306 H307 L308	L306-K310 WeakPolarHBondContact O-CB 3.37Å; L306-K310 PolarHBondContact O-N 3.4Å; H307-K310 PolarHBondContact O-N 3.15Å; L308-K310 PolarHBondContact O-N 2.91Å
311	Y	88.1	Confident	79.5	Confident	127 Å²	127	67.5 Å²	67.5	50%	0.498	36%	0.363	S	S	.	.	H	α-helix	trans	-110	-3.5	-172.8	-64	-79.9	0	0	0	114.2	H307 H313	H307-Y311 AromaticContact CE1-CD2 3.7Å; H307-Y311 AromaticContact ND1-CD2 3.54Å; H307-Y311 AromaticContact ND1-CE2 3.78Å; H307-Y311 WeakPolarHBondContact O-CD2 3.49Å; H307-Y311 PolarHBondContact O-N 3.08Å; Y311-H313 PolarHBondContact O-CD2 2.99Å; Y311-H313 PolarHBondContact O-N 3.02Å
312	G	82.9	Confident	78.4	Confident	69 Å²	69	71.6 Å²	71.6	71%	0.711	38%	0.383	S	S	*	.			trans	78	6	-177	0	0	0	0	0	114.4	L308	L308-G312 CarbonylContact O-C 3.14Å; L308-G312 WeakPolarHBondContact O-CA 3.23Å; L308-G312 PolarHBondContact O-N 3.46Å
313	H	87.4	Confident	77.1	Confident	49 Å²	49	67.3 Å²	67.3	23%	0.227	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-74.9	161.3	-170.2	-61.4	167.7	0	0	0	115	C291 D293 H307 L308 Y311	C291-H313 WeakPolarHBondContact SG-CB 3.37Å; C291-H313 PolarHBondContact SG-ND1 3.48Å; C291-H313 VanDerWaalsContact SG-ND1 3.4Å; D293-H313 HydrophobicContact CB-CB 4.18Å; D293-H313 WeakPolarHBondContact OD2-CA 3.48Å; D293-H313 WeakPolarHBondContact OD2-CB 3.46Å; D293-H313 IonicContact OD2-CD2 2.64Å; D293-H313 IonicContact OD2-CG 3.15Å; H307-H313 AromaticContact CD2-ND1 3.94Å; H307-H313 AromaticContact CE1-ND1 3.6Å; H307-H313 AromaticContact NE2-CE1 3.82Å; H307-H313 AromaticContact NE2-CG 3.99Å; H307-H313 AromaticContact NE2-ND1 2.97Å; H307-H313 PolarHBondContact NE2-ND1 3.31Å; L308-H313 WeakPolarHBondContact CB-O 3.41Å; L308-H313 HydrophobicContact CD2-CB 3.97Å; L308-H313 VanDerWaalsContact CD2-O 3.29Å; L308-H313 WeakPolarHBondContact CD2-O 3.36Å; L308-H313 PolarHBondContact O-N 3.08Å; Y311-H313 PolarHBondContact O-CD2 2.99Å; Y311-H313 PolarHBondContact O-N 3.02Å
314	S	77.3	Confident	75.9	Confident	68 Å²	68	68 Å²	68	48%	0.476	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-88.4	146.5	173.9	-58.8	0	0	0	0	113.5	A292 D293 L308	A292-S314 PolarHBondContact N-O 3.43Å; D293-S314 PolarHBondContact OD2-N 3.41Å; L308-S314 VanDerWaalsContact CD2-C 3.45Å; L308-S314 VanDerWaalsContact CD2-O 3.27Å; L308-S314 WeakPolarHBondContact CD2-O 2.94Å
315	A	75.9	Confident	74.4	Confident	38 Å²	38	72 Å²	72	31%	0.314	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-78.4	131	175.4	0	0	0	0	0	110.8	L304 L308 V333	L304-A315 HydrophobicContact CD2-CB 4.45Å; L308-A315 HydrophobicContact CD1-CB 3.76Å; A315-V333 HydrophobicContact CB-CB 4.39Å; A315-V333 HydrophobicContact CB-CG1 4.39Å; A315-V333 HydrophobicContact CB-CG2 4.15Å
316	A	73.8	Confident	72.8	Confident	28 Å²	28	69.7 Å²	69.7	23%	0.231	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-79.1	164.8	166.7	0	0	0	0	0	111.1	R290 A292 V318	R290-A316 HydrophobicContact CB-CB 4.04Å; R290-A316 WeakPolarHBondContact O-CB 3.44Å; R290-A316 PolarHBondContact O-N 3.49Å; R290-A316 VanDerWaalsContact O-N 3.1Å; A292-A316 HydrophobicContact CB-CB 4.19Å; A316-V318 PolarHBondContact O-N 3.42Å
317	N	66.3	Low	71	Confident	113 Å²	113	70 Å²	70	60%	0.604	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-54.6	133.9	173.8	-72.7	-18.1	0	0	0	111.3	I319	N317-I319 PolarHBondContact O-N 2.9Å
318	V	65.9	Low	69.2	Low	16 Å²	16	73.3 Å²	73.3	10%	0.097	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-71.5	127.6	175.6	-179	0	0	0	0	108.4	Y289 A316 A326 I331	Y289-V318 HydrophobicContact CD1-CG1 4.38Å; Y289-V318 HydrophobicContact CD1-CG2 4.04Å; Y289-V318 HydrophobicContact CE1-CG1 4.12Å; Y289-V318 HydrophobicContact CE1-CG2 4.1Å; A316-V318 PolarHBondContact O-N 3.42Å; V318-A326 VanDerWaalsContact O-CB 3.27Å; V318-A326 WeakPolarHBondContact O-CB 3.47Å; V318-A326 PolarHBondContact O-N 2.84Å; V318-I331 HydrophobicContact CG1-CD1 4.32Å
319	I	63	Low	67.1	Low	37 Å²	37	75.6 Å²	75.6	19%	0.19	46%	0.456	C	S	.	.	B	Isolated β-bridge	trans	-92.1	129.7	179	-44.7	178.9	0	0	0	108.4	F286 Q288 N317 S324	F286-I319 WeakPolarHBondContact CE1-O 3.45Å; F286-I319 HydrophobicContact CE2-CG2 4.41Å; F286-I319 HydrophobicContact CZ-CB 3.92Å; F286-I319 HydrophobicContact CZ-CG2 3.78Å; Q288-I319 PolarHBondContact O-N 2.84Å; N317-I319 PolarHBondContact O-N 2.9Å; I319-S324 WeakPolarHBondContact CG2-O 3.41Å
320	N	58.4	Low	65.3	Low	53 Å²	53	73.3 Å²	73.3	28%	0.283	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-69	156.4	176.4	-76.6	-34.1	0	0	0	111.1	F286 D322 G323 S324	F286-N320 VanDerWaalsContact CE1-O 3.3Å; F286-N320 WeakPolarHBondContact CE1-O 3.34Å; F286-N320 WeakPolarHBondContact CZ-O 3.43Å; N320-D322 WeakPolarHBondContact CB-OD1 3.49Å; N320-D322 PolarHBondContact O-N 3.06Å; N320-G323 PolarHBondContact O-N 3.32Å; N320-S324 VanDerWaalsContact CB-OG 3.32Å; N320-S324 WeakPolarHBondContact CB-OG 3.49Å; N320-S324 PolarHBondContact N-O 3.14Å; N320-S324 PolarHBondContact ND2-OG 3.32Å
321	P	59.2	Low	63.5	Low	101 Å²	101	69.9 Å²	69.9	66%	0.656	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-9.2	-177.6	28.6	-36.7	0	0	0	115.3
322	D	60.4	Low	61.9	Low	121 Å²	121	68.1 Å²	68.1	65%	0.647	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-4.9	172.2	52.9	23.5	0	0	0	113.3	N320 S324	N320-D322 WeakPolarHBondContact CB-OD1 3.49Å; N320-D322 PolarHBondContact O-N 3.06Å; D322-S324 VanDerWaalsContact OD1-CB 3.26Å; D322-S324 WeakPolarHBondContact OD1-CB 3.41Å; D322-S324 PolarHBondContact OD1-N 3.33Å; D322-S324 PolarHBondContact OD1-OG 3.09Å; D322-S324 PolarHBondContact OD2-OG 3.16Å
323	G	56.2	Low	60.6	Low	49 Å²	49	65.6 Å²	65.6	51%	0.505	42%	0.42	S	S	.	.	S	Bend	trans	89.5	-6.5	-174.9	0	0	0	0	0	114.8	N320	N320-G323 PolarHBondContact O-N 3.32Å
324	S	62.8	Low	59	Low	51 Å²	51	70.2 Å²	70.2	36%	0.357	44%	0.439	S	S	.	.			trans	-67.2	137.4	176.7	66.7	0	0	0	0	111.7	I319 N320 D322 A326	I319-S324 WeakPolarHBondContact CG2-O 3.41Å; N320-S324 VanDerWaalsContact CB-OG 3.32Å; N320-S324 WeakPolarHBondContact CB-OG 3.49Å; N320-S324 PolarHBondContact N-O 3.14Å; N320-S324 PolarHBondContact ND2-OG 3.32Å; D322-S324 VanDerWaalsContact OD1-CB 3.26Å; D322-S324 WeakPolarHBondContact OD1-CB 3.41Å; D322-S324 PolarHBondContact OD1-N 3.33Å; D322-S324 PolarHBondContact OD1-OG 3.09Å; D322-S324 PolarHBondContact OD2-OG 3.16Å; S324-A326 PolarHBondContact O-N 2.98Å
325	S	57.1	Low	57.5	Low	85 Å²	85	68.2 Å²	68.2	59%	0.594	43%	0.43	S	S	*	.	B	Isolated β-bridge	trans	-73.4	122.2	167.1	51.4	0	0	0	0	108.6	S327	S325-S327 PolarHBondContact O-N 2.89Å
326	A	51.6	Low	55.7	Low	11 Å²	11	74.7 Å²	74.7	9%	0.091	46%	0.459	C	S	.	.			trans	-77.1	53.5	-173.9	0	0	0	0	0	113.2	V318 S324 A328 V329	V318-A326 VanDerWaalsContact O-CB 3.27Å; V318-A326 WeakPolarHBondContact O-CB 3.47Å; V318-A326 PolarHBondContact O-N 2.84Å; S324-A326 PolarHBondContact O-N 2.98Å; A326-A328 PolarHBondContact O-N 3.01Å; A326-A328 VanDerWaalsContact O-N 3.11Å; A326-V329 CarbonylContact O-C 3.58Å; A326-V329 PolarHBondContact O-N 2.84Å
327	S	51.6	Low	54	Low	103 Å²	103	83.8 Å²	83.8	72%	0.72	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.4	-174.5	-154.3	0	0	0	0	113.4	S325	S325-S327 PolarHBondContact O-N 2.89Å
328	A	49	Very low	52.5	Low	88 Å²	88	90.8 Å²	90.8	73%	0.727	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-7.4	176.1	0	0	0	0	0	114.9	A326	A326-A328 PolarHBondContact O-N 3.01Å; A326-A328 VanDerWaalsContact O-N 3.11Å
329	V	46.8	Very low	51.1	Low	54 Å²	54	92.7 Å²	92.7	33%	0.327	53%	0.528	S	S	.	.			trans	-132.7	83.4	-174	-169	0	0	0	0	111.1	A326 I331	A326-V329 CarbonylContact O-C 3.58Å; A326-V329 PolarHBondContact O-N 2.84Å; V329-I331 VanDerWaalsContact C-N 3.3Å; V329-I331 HydrophobicContact CG1-CG1 3.99Å; V329-I331 PolarHBondContact O-N 3.16Å
330	T	48.4	Very low	49.8	Very low	133 Å²	133	96.2 Å²	96.2	82%	0.816	55%	0.554	S	S	*	*			trans	-65.5	86.6	169.9	-39.2	0	0	0	0	110.5	D332	T330-D332 PolarHBondContact O-N 3.43Å
331	I	51.7	Low	48.6	Very low	73 Å²	73	104.6 Å²	104.6	37%	0.374	58%	0.581	S	S	.	*			trans	-69.6	102.6	172.5	-58.8	179.1	0	0	0	107.9	V318 V329 V333	V318-I331 HydrophobicContact CG1-CD1 4.32Å; V329-I331 VanDerWaalsContact C-N 3.3Å; V329-I331 HydrophobicContact CG1-CG1 3.99Å; V329-I331 PolarHBondContact O-N 3.16Å; I331-V333 WeakPolarHBondContact O-CG2 3.48Å; I331-V333 PolarHBondContact O-N 3.02Å
332	D	54.1	Low	47.7	Very low	90 Å²	90	108.3 Å²	108.3	48%	0.481	59%	0.59	S	S	.	*			trans	-54	106.2	-179.7	-176.1	-8.8	0	0	0	111.8	T330 F334 G335	T330-D332 PolarHBondContact O-N 3.43Å; D332-F334 PolarHBondContact O-N 3.42Å; D332-F334 WeakPolarHBondContact OD1-CA 3.41Å; D332-F334 PolarHBondContact OD1-N 3.16Å; D332-G335 PolarHBondContact OD1-N 2.8Å; D332-G335 WeakPolarHBondContact OD2-CA 3.47Å; D332-G335 PolarHBondContact OD2-N 3.48Å
333	V	56.7	Low	46.5	Very low	16 Å²	16	111.4 Å²	111.4	10%	0.097	60%	0.598	C	S	.	*	S	Bend	trans	-75.2	-0.7	-179.5	-174.7	0	0	0	0	111.5	L304 K305 L308 A315 I331	L304-V333 HydrophobicContact CD2-CG1 4.46Å; K305-V333 WeakPolarHBondContact CE-O 3.36Å; K305-V333 HydrophobicContact CG-CG1 4.09Å; K305-V333 WeakPolarHBondContact CG-O 3.37Å; L308-V333 HydrophobicContact CD1-CG1 4.06Å; A315-V333 HydrophobicContact CB-CB 4.39Å; A315-V333 HydrophobicContact CB-CG1 4.39Å; A315-V333 HydrophobicContact CB-CG2 4.15Å; I331-V333 WeakPolarHBondContact O-CG2 3.48Å; I331-V333 PolarHBondContact O-N 3.02Å
334	F	52.1	Low	45.6	Very low	146 Å²	146	120.1 Å²	120.1	64%	0.64	62%	0.615	S	S	*	*	S	Bend	trans	-124.8	-24.6	-179.5	-62.3	-83.5	0	0	0	113.7	L308 D332	L308-F334 HydrophobicContact CD1-CZ 4.02Å; D332-F334 PolarHBondContact O-N 3.42Å; D332-F334 WeakPolarHBondContact OD1-CA 3.41Å; D332-F334 PolarHBondContact OD1-N 3.16Å
335	G	46.3	Very low	44.5	Very low	27 Å²	27	122.6 Å²	122.6	28%	0.278	63%	0.629	S	S	.	*			trans	-77.7	148.8	-170.2	0	0	0	0	0	117.9	D332 R337	D332-G335 PolarHBondContact OD1-N 2.8Å; D332-G335 WeakPolarHBondContact OD2-CA 3.47Å; D332-G335 PolarHBondContact OD2-N 3.48Å; G335-R337 PolarHBondContact O-N 3.28Å; G335-R337 VanDerWaalsContact O-N 3.17Å
336	N	38.9	Very low	43.9	Very low	173 Å²	173	124.6 Å²	124.6	93%	0.925	64%	0.637	S	S	*	*			trans	-83.1	28.9	179.8	-72.3	-36.3	0	0	0	114.2
337	R	37.9	Very low	43.2	Very low	219 Å²	219	129.9 Å²	129.9	83%	0.826	66%	0.664	S	S	*	*			trans	-101.4	123.2	-175.4	-55.3	-168.1	-161.5	-89.5	4	111.5	G335 G339	G335-R337 PolarHBondContact O-N 3.28Å; G335-R337 VanDerWaalsContact O-N 3.17Å; R337-G339 PolarHBondContact O-N 3.38Å
338	R	33.6	Very low	42.6	Very low	260 Å²	260	133.9 Å²	133.9	98%	0.981	67%	0.671	S	S	*	*			trans	-84.1	108.4	177.4	-67.1	-175.9	-174.6	-130	4.3	110.4
339	G	36.8	Very low	41.8	Very low	56 Å²	56	135.2 Å²	135.2	58%	0.577	67%	0.67	S	S	*	*	S	Bend	trans	104.4	145.9	172.7	0	0	0	0	0	113.2	R337	R337-G339 PolarHBondContact O-N 3.38Å
340	P	37	Very low	41.3	Very low	111 Å²	111	137 Å²	137	72%	0.721	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-65.4	134.2	171.8	-15	29.6	0	0	0	110.4
341	R	32.5	Very low	41	Very low	229 Å²	229	137.9 Å²	137.9	86%	0.864	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-103.7	131.5	152.9	-77.3	-179	63.8	176.9	-1.4	106.5	K343	R341-K343 PolarHBondContact O-N 3.23Å
342	Q	40.6	Very low	40.3	Very low	180 Å²	180	140.8 Å²	140.8	84%	0.841	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-57.9	127.2	159.9	-72.6	156.9	-48.9	0	0	107.5
343	K	34.6	Very low	39.8	Very low	185 Å²	185	145.8 Å²	145.8	80%	0.804	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-76.3	121	165.5	-175.2	-174.6	177	-169.4	0	105.4	R341 T345	R341-K343 PolarHBondContact O-N 3.23Å; K343-T345 PolarHBondContact O-N 3.49Å
344	R	37.4	Very low	38.7	Very low	232 Å²	232	150 Å²	150	88%	0.875	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-59.1	124.4	166.9	-83.1	-177.3	163.8	-177.4	-9.7	107.5
345	T	40.7	Very low	38.2	Very low	104 Å²	104	151 Å²	151	64%	0.638	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-62.3	147	153.3	46.1	0	0	0	0	107.7	K343 D347	K343-T345 PolarHBondContact O-N 3.49Å; T345-D347 VanDerWaalsContact CB-OD1 3.26Å; T345-D347 WeakPolarHBondContact CB-OD1 3.47Å; T345-D347 PolarHBondContact OG1-OD1 3.16Å
346	V	43.7	Very low	37.8	Very low	127 Å²	127	154.5 Å²	154.5	77%	0.77	79%	0.788	S	S	*	*			trans	-104.1	107.7	157.9	174.2	0	0	0	0	102.8	Q348	V346-Q348 PolarHBondContact O-N 2.9Å
347	D	36	Very low	37.8	Very low	122 Å²	122	150.8 Å²	150.8	65%	0.652	78%	0.776	S	S	*	*			trans	-74.7	116.2	-174.9	-53.3	-48.9	0	0	0	108.2	T345	T345-D347 VanDerWaalsContact CB-OD1 3.26Å; T345-D347 WeakPolarHBondContact CB-OD1 3.47Å; T345-D347 PolarHBondContact OG1-OD1 3.16Å
348	Q	39	Very low	37.9	Very low	186 Å²	186	146.9 Å²	146.9	87%	0.869	78%	0.776	S	S	*	*			trans	-101	79.2	176	-74.5	-174	-31.2	0	0	108.7	V346	V346-Q348 PolarHBondContact O-N 2.9Å
349	T	33.9	Very low	38.3	Very low	116 Å²	116	140 Å²	140	71%	0.712	77%	0.765	S	S	*	*			trans	-139.5	157.3	177.2	47.3	0	0	0	0	110.3
350	S	35	Very low	38.4	Very low	93 Å²	93	144.1 Å²	144.1	65%	0.65	78%	0.778	S	S	*	*			trans	58.5	98.1	-178.3	69.2	0	0	0	0	117.1
351	V	42.8	Very low	38.4	Very low	151 Å²	151	142.4 Å²	142.4	92%	0.915	77%	0.773	S	S	*	*			trans	-127.8	73.2	136.6	-82	0	0	0	0	107.7	H353	V351-H353 PolarHBondContact O-N 3.15Å
352	D	37.3	Very low	38.7	Very low	134 Å²	134	139.5 Å²	139.5	72%	0.717	78%	0.775	S	S	*	*			trans	-83.7	110.3	178.6	-71.4	-75	0	0	0	110.8
353	H	44	Very low	38.5	Very low	194 Å²	194	134.1 Å²	134.1	90%	0.898	77%	0.768	S	S	*	*			trans	-130.6	89.9	161.5	-91.5	-60.8	0	0	0	109.9	V351	V351-H353 PolarHBondContact O-N 3.15Å
354	S	33.7	Very low	38.7	Very low	106 Å²	106	132 Å²	132	74%	0.741	77%	0.77	S	S	*	*			trans	-81	130.1	161.5	-69.2	0	0	0	0	109.5
355	L	40.3	Very low	38.8	Very low	167 Å²	167	127.8 Å²	127.8	87%	0.874	77%	0.77	S	S	*	*				177.5	120.6	127.6	-95.9	165.3	0	0	0	113.3
356	S	38.4	Very low	38.6	Very low	100 Å²	100	126.1 Å²	126.1	70%	0.699	77%	0.774	S	S	*	*			trans	73.9	128.4	140.2	-154.3	0	0	0	0	123.3
357	S	38.3	Very low	38.4	Very low	95 Å²	95	126.4 Å²	126.4	66%	0.664	78%	0.782	S	S	*	*			trans	76.7	105.9	136	48.1	0	0	0	0	123.7
358	V	40.2	Very low	38.3	Very low	137 Å²	137	124.3 Å²	124.3	83%	0.83	79%	0.788	S	S	*	*			trans	81.6	126.8	133.2	-175.8	0	0	0	0	119.3
359	P	42.9	Very low	38.2	Very low	116 Å²	116	119.6 Å²	119.6	75%	0.753	79%	0.79	S	S	*	*			trans	-106.2	173.1	177.5	41.6	-35.8	0	0	0	114.1
360	V	38	Very low	38.1	Very low	141 Å²	141	117.6 Å²	117.6	86%	0.855	79%	0.792	S	S	*	*			trans	-168	124.3	137.2	132.3	0	0	0	0	114.5
361	A	37.3	Very low	37.9	Very low	75 Å²	75	121.3 Å²	121.3	62%	0.62	80%	0.804	S	S	*	*			trans	38.4	157.4	144.5	0	0	0	0	0	126.6
362	N	39.1	Very low	37.4	Very low	168 Å²	168	119.3 Å²	119.3	90%	0.898	80%	0.797	S	S	*	*			trans	78.5	136.9	162.3	-54.8	-22.5	0	0	0	117.8
363	G	35.8	Very low	37.2	Very low	68 Å²	68	118.4 Å²	118.4	70%	0.701	80%	0.796	S	S	*	*			cis	169.5	171.2	-5.9	0	0	0	0	0	112.6
364	V	38.9	Very low	36.5	Very low	139 Å²	139	117.4 Å²	117.4	84%	0.842	79%	0.791	S	S	*	*			trans	71.1	110.4	179.1	-178.8	0	0	0	0	113.7
365	V	39.6	Very low	36.3	Very low	144 Å²	144	117.6 Å²	117.6	87%	0.873	79%	0.789	S	S	*	*				76.9	125.3	54.7	179.7	0	0	0	0	112.7
366	G	37.3	Very low	36	Very low	70 Å²	70	115 Å²	115	72%	0.722	78%	0.784	S	S	*	*			cis	-175.7	-155.2	2.2	0	0	0	0	0	114.8
367	S	39.5	Very low	35.8	Very low	133 Å²	133	114.5 Å²	114.5	93%	0.93	79%	0.786	S	S	*	*			trans	-30.2	157.6	-179	-46.7	0	0	0	0	119.8
368	G	33.7	Very low	35.6	Very low	77 Å²	77	111.5 Å²	111.5	79%	0.794	77%	0.77	S	S	*	*			cis	159.8	171.4	-0.5	0	0	0	0	0	113.1
369	G	35.5	Very low	35.4	Very low	88 Å²	88	109 Å²	109	91%	0.907	76%	0.759	S	S	*	*			trans	84.6	162.8	-179.7	0	0	0	0	0	115.2
370	G	33.3	Very low	34.9	Very low	73 Å²	73	108 Å²	108	75%	0.753	75%	0.751	S	S	*	*			cis	167.6	109.8	-11.3	0	0	0	0	0	115.6
371	L	30.4	Very low	35	Very low	172 Å²	172	106.8 Å²	106.8	90%	0.901	75%	0.746	S	S	*	*			trans	65.3	155.2	158	-75.9	158.6	0	0	0	121.5
372	S	32.5	Very low	34.8	Very low	109 Å²	109	110 Å²	110	76%	0.762	75%	0.753	S	S	*	*			trans	73.6	155	166.1	-56	0	0	0	0	118.9
373	V	31.6	Very low	34.7	Very low	115 Å²	115	107 Å²	107	70%	0.697	74%	0.744	S	S	*	*			cis	163.1	139	-41.6	150.2	0	0	0	0	108.4
374	Q	30.9	Very low	34.7	Very low	172 Å²	172	109.5 Å²	109.5	80%	0.804	75%	0.752	S	S	*	*			trans	67.7	157.6	174.2	-68.5	165.9	31.1	0	0	116.1
375	T	28.7	Very low	34.4	Very low	111 Å²	111	106.6 Å²	106.6	68%	0.681	75%	0.749	S	S	*	*			cis	-165.1	165.6	-10	18.1	0	0	0	0	111.9
376	S	34.2	Very low	33.9	Very low	112 Å²	112	108.2 Å²	108.2	78%	0.783	75%	0.747	S	S	*	*			trans	63.4	160.2	151.3	50.8	0	0	0	0	119.8
377	A	34	Very low	33.9	Very low	90 Å²	90	111.6 Å²	111.6	74%	0.744	75%	0.753	S	S	*	*			cis	-164.6	170.9	-24.2	0	0	0	0	0	109.5	M173	M173-A377 HydrophobicContact CE-CB 4.25Å
378	G	33.7	Very low	33.4	Very low	32 Å²	32	112.5 Å²	112.5	33%	0.33	75%	0.748	S	S	.	*			trans	-171.3	152.4	175.3	0	0	0	0	0	113.3	S172 M173	S172-G378 PolarHBondContact OG-O 3.41Å; M173-G378 WeakPolarHBondContact CE-O 3.48Å
379	S	37.5	Very low	33.4	Very low	84 Å²	84	115.4 Å²	115.4	59%	0.587	75%	0.75	S	S	*	*			trans	-128.3	158.9	-151.9	-46.6	0	0	0	0	116.9	T171 M173	T171-S379 VanDerWaalsContact CG2-C 3.42Å; T171-S379 WeakPolarHBondContact CG2-O 3.35Å; M173-S379 WeakPolarHBondContact CE-OG 3.3Å
380	T	32.4	Very low	33.2	Very low	95 Å²	95	114.3 Å²	114.3	58%	0.583	74%	0.739	S	S	*	*			trans	-58.7	173.6	169.2	53.3	0	0	0	0	114.8
381	P	40.2	Very low	33.4	Very low	115 Å²	115	119.9 Å²	119.9	75%	0.747	75%	0.748	S	S	*	*			cis	-147.5	167.3	21	44.5	-24.2	0	0	0	121
382	D	32.1	Very low	33.7	Very low	144 Å²	144	115 Å²	115	77%	0.77	74%	0.739	S	S	*	*			trans	38.6	128.2	134.3	-160.1	29.6	0	0	0	124.2
383	S	38.1	Very low	33.7	Very low	103 Å²	103	117.1 Å²	117.1	72%	0.72	74%	0.736	S	S	*	*				168	127.7	114.4	48.2	0	0	0	0	116.9
384	S	35.6	Very low	34	Very low	122 Å²	122	119.6 Å²	119.6	85%	0.853	74%	0.74	S	S	*	*			trans	30.1	123.6	143.5	-56	0	0	0	0	123.3
385	G	31.9	Very low	34.6	Very low	77 Å²	77	119.6 Å²	119.6	79%	0.794	74%	0.74	S	S	*	*			trans	174.7	70.6	165.1	0	0	0	0	0	120.7
386	H	29.7	Very low	35.3	Very low	179 Å²	179	119.5 Å²	119.5	83%	0.829	73%	0.734	S	S	*	*			trans	-24.1	126.1	162.7	168.5	-57.2	0	0	0	119.4
387	V	35.6	Very low	36	Very low	141 Å²	141	120.1 Å²	120.1	86%	0.855	73%	0.726	S	S	*	*			trans	-165.3	169.5	139.5	-100.4	0	0	0	0	113.3
388	D	30.1	Very low	37.2	Very low	152 Å²	152	120 Å²	120	81%	0.813	72%	0.718	S	S	*	*			trans	-99	-170.9	-166.9	-152	-67.9	0	0	0	114.2
389	V	34.3	Very low	37.8	Very low	137 Å²	137	124.6 Å²	124.6	83%	0.83	73%	0.734	S	S	*	*			trans	78.1	133.9	169.2	-165.3	0	0	0	0	116
390	G	31.1	Very low	38.7	Very low	66 Å²	66	125.6 Å²	125.6	68%	0.68	73%	0.731	S	S	*	*			cis	170.5	129.6	-8.9	0	0	0	0	0	112.2
391	M	37.3	Very low	40.4	Very low	190 Å²	190	128 Å²	128	94%	0.936	73%	0.733	S	S	*	*			trans	-95	111.2	-172.2	-70.3	-173.8	176	0	0	114.1	H393	M391-H393 PolarHBondContact O-N 3.42Å
392	G	35.7	Very low	41.4	Very low	70 Å²	70	125.2 Å²	125.2	72%	0.722	72%	0.72	S	S	*	*			trans	-66.1	112.6	-170.3	0	0	0	0	0	117	H394	G392-H394 PolarHBondContact O-N 3.25Å; G392-H394 VanDerWaalsContact O-N 3.16Å
393	H	33.9	Very low	42.6	Very low	152 Å²	152	125.3 Å²	125.3	70%	0.704	71%	0.714	S	S	*	*			trans	-82.9	69.5	175.2	-98.7	75.3	0	0	0	113.5	M391	M391-H393 PolarHBondContact O-N 3.42Å
394	H	37.2	Very low	44.1	Very low	168 Å²	168	126.3 Å²	126.3	78%	0.778	71%	0.707	S	S	*	*			trans	-112.7	29.3	-167.1	-89	-92.8	0	0	0	118.7	G392	G392-H394 PolarHBondContact O-N 3.25Å; G392-H394 VanDerWaalsContact O-N 3.16Å
395	H	42.7	Very low	45.8	Very low	172 Å²	172	125.1 Å²	125.1	80%	0.796	69%	0.691	S	S	*	*	S	Bend	trans	-139.5	-8.7	167.4	-103.3	-69.2	0	0	0	117.8
396	L	44.1	Very low	47.4	Very low	108 Å²	108	125.9 Å²	125.9	57%	0.565	68%	0.677	S	S	*	*	S	Bend	trans	-87.5	-26.6	179.6	-88.8	161.3	0	0	0	114.2	L399 M400	L396-L399 PolarHBondContact O-N 2.94Å; L396-M400 PolarHBondContact O-N 3.48Å
397	M	48.6	Very low	49.4	Very low	126 Å²	126	122.2 Å²	122.2	62%	0.621	66%	0.662	S	S	*	*	H	α-helix	trans	-64.6	-41.5	-177	-72.5	-61.3	-177.9	0	0	114.7	L399 M400 K401	M397-L399 VanDerWaalsContact C-N 3.32Å; M397-L399 PolarHBondContact O-N 3.01Å; M397-M400 PolarHBondContact O-N 3.44Å; M397-M400 HydrophobicContact SD-CE 3.98Å; M397-K401 WeakPolarHBondContact O-CB 3.39Å; M397-K401 PolarHBondContact O-N 3.45Å
398	P	58.4	Low	51.3	Low	87 Å²	87	120.7 Å²	120.7	57%	0.565	65%	0.648	S	S	*	*	H	α-helix	trans	-60.8	-40.3	178.3	-24.8	35.2	0	0	0	112.7	A402	P398-A402 VanDerWaalsContact O-CB 3.29Å; P398-A402 WeakPolarHBondContact O-CB 3.37Å; P398-A402 PolarHBondContact O-N 3.27Å
399	L	47.1	Very low	53.2	Low	129 Å²	129	116.1 Å²	116.1	68%	0.675	63%	0.632	S	S	*	*	H	α-helix	trans	-71.2	-41.3	-179.1	-168.7	68.3	0	0	0	112	L396 M397 F403	L396-L399 PolarHBondContact O-N 2.94Å; M397-L399 VanDerWaalsContact C-N 3.32Å; M397-L399 PolarHBondContact O-N 3.01Å; L399-F403 WeakPolarHBondContact O-CB 3.47Å; L399-F403 PolarHBondContact O-N 3.23Å
400	M	56.7	Low	54.7	Low	104 Å²	104	114.8 Å²	114.8	51%	0.512	62%	0.616	S	S	.	*	H	α-helix	trans	-67.7	-39.4	174.7	-70.1	-163.4	-63.4	0	0	111.9	L396 M397 F403 Q404	L396-M400 PolarHBondContact O-N 3.48Å; M397-M400 PolarHBondContact O-N 3.44Å; M397-M400 HydrophobicContact SD-CE 3.98Å; M400-F403 PolarHBondContact O-N 2.79Å; M400-Q404 WeakPolarHBondContact O-CB 3.26Å; M400-Q404 PolarHBondContact O-N 3.34Å
401	K	67.3	Low	56.5	Low	145 Å²	145	114.5 Å²	114.5	63%	0.63	61%	0.608	S	S	*	*	H	α-helix	trans	-70	-35.7	177.5	-162	155	-174.2	171.9	0	112.1	M397 Q404 N405	M397-K401 WeakPolarHBondContact O-CB 3.39Å; M397-K401 PolarHBondContact O-N 3.45Å; K401-Q404 PolarHBondContact O-N 3.48Å; K401-N405 VanDerWaalsContact O-CB 3.29Å; K401-N405 WeakPolarHBondContact O-CB 3.5Å; K401-N405 PolarHBondContact O-N 2.93Å; K401-N405 PolarHBondContact O-OD1 3.31Å
402	A	62.4	Low	58.1	Low	57 Å²	57	107.7 Å²	107.7	47%	0.471	58%	0.582	S	S	.	*	H	α-helix	trans	-62.2	-43.3	169.3	0	0	0	0	0	112.2	P398 N406	P398-A402 VanDerWaalsContact O-CB 3.29Å; P398-A402 WeakPolarHBondContact O-CB 3.37Å; P398-A402 PolarHBondContact O-N 3.27Å; A402-N406 WeakPolarHBondContact O-CB 3.47Å; A402-N406 PolarHBondContact O-N 3.14Å
403	F	57	Low	59.6	Low	147 Å²	147	107.9 Å²	107.9	65%	0.645	57%	0.568	S	S	*	*	H	α-helix	trans	-65.6	-40.8	176.7	-168.4	-92.1	0	0	0	112.3	L399 M400 N406 M407	L399-F403 WeakPolarHBondContact O-CB 3.47Å; L399-F403 PolarHBondContact O-N 3.23Å; M400-F403 PolarHBondContact O-N 2.79Å; F403-N406 PolarHBondContact O-N 3.41Å; F403-M407 HydrophobicContact CD1-CG 4.34Å; F403-M407 HydrophobicContact CE1-CG 4.04Å; F403-M407 HydrophobicContact CE1-SD 4.25Å; F403-M407 PolarHBondContact O-N 2.8Å
404	Q	70.4	Confident	61.2	Low	124 Å²	124	104.6 Å²	104.6	58%	0.579	56%	0.559	S	S	*	*	H	α-helix	trans	-70.5	-40.1	178.5	-169.9	162.5	0.5	0	0	111.9	M400 K401 N406 M407 L408	M400-Q404 WeakPolarHBondContact O-CB 3.26Å; M400-Q404 PolarHBondContact O-N 3.34Å; K401-Q404 PolarHBondContact O-N 3.48Å; Q404-N406 VanDerWaalsContact C-N 3.29Å; Q404-N406 PolarHBondContact O-N 2.87Å; Q404-M407 PolarHBondContact O-N 3.12Å; Q404-L408 HydrophobicContact CG-CD1 4Å; Q404-L408 VanDerWaalsContact O-CD1 3.29Å; Q404-L408 WeakPolarHBondContact O-CD1 3.3Å; Q404-L408 PolarHBondContact O-N 2.93Å
405	N	70.1	Confident	62.8	Low	97 Å²	97	100 Å²	100	52%	0.519	55%	0.545	S	S	.	.	H	α-helix	trans	-60.6	-39.3	170.9	-72	4.3	0	0	0	111.4	K401 L408 A409	K401-N405 VanDerWaalsContact O-CB 3.29Å; K401-N405 WeakPolarHBondContact O-CB 3.5Å; K401-N405 PolarHBondContact O-N 2.93Å; K401-N405 PolarHBondContact O-OD1 3.31Å; N405-L408 PolarHBondContact O-N 3.48Å; N405-A409 WeakPolarHBondContact O-CB 3.4Å; N405-A409 PolarHBondContact O-N 2.94Å
406	N	66.4	Low	64.1	Low	92 Å²	92	98.2 Å²	98.2	49%	0.492	54%	0.538	S	S	.	.	H	α-helix	trans	-65.9	-40.5	175.6	-161.9	-71.5	0	0	0	111.9	A402 F403 Q404 A409 Q410	A402-N406 WeakPolarHBondContact O-CB 3.47Å; A402-N406 PolarHBondContact O-N 3.14Å; F403-N406 PolarHBondContact O-N 3.41Å; Q404-N406 VanDerWaalsContact C-N 3.29Å; Q404-N406 PolarHBondContact O-N 2.87Å; N406-A409 PolarHBondContact O-N 3.4Å; N406-Q410 WeakPolarHBondContact O-CG 3.05Å; N406-Q410 PolarHBondContact O-N 3.32Å; N406-Q410 PolarHBondContact OD1-NE2 3.41Å
407	M	70.6	Confident	65.3	Low	103 Å²	103	99 Å²	99	51%	0.507	54%	0.539	S	S	.	.	H	α-helix	trans	-65.6	-38.9	172.5	-74.9	-129	71.3	0	0	113.1	F403 Q404 Q410 A411	F403-M407 HydrophobicContact CD1-CG 4.34Å; F403-M407 HydrophobicContact CE1-CG 4.04Å; F403-M407 HydrophobicContact CE1-SD 4.25Å; F403-M407 PolarHBondContact O-N 2.8Å; Q404-M407 PolarHBondContact O-N 3.12Å; M407-Q410 PolarHBondContact O-N 2.83Å; M407-A411 WeakPolarHBondContact O-CB 3.26Å; M407-A411 PolarHBondContact O-N 2.93Å
408	L	76.4	Confident	66	Low	109 Å²	109	100.1 Å²	100.1	57%	0.571	54%	0.54	S	S	*	.	H	α-helix	trans	-65.7	-41	174.5	-96	74.8	0	0	0	111.6	Q404 N405 A411 A412	Q404-L408 HydrophobicContact CG-CD1 4Å; Q404-L408 VanDerWaalsContact O-CD1 3.29Å; Q404-L408 WeakPolarHBondContact O-CD1 3.3Å; Q404-L408 PolarHBondContact O-N 2.93Å; N405-L408 PolarHBondContact O-N 3.48Å; L408-A411 PolarHBondContact O-N 2.87Å; L408-A412 WeakPolarHBondContact O-CB 3.32Å; L408-A412 PolarHBondContact O-N 2.67Å
409	A	69.6	Low	66.1	Low	56 Å²	56	98.5 Å²	98.5	46%	0.463	53%	0.533	S	S	.	.	H	α-helix	trans	-61.7	-43.8	174.5	0	0	0	0	0	111.7	N405 N406 A411 A412 V413	N405-A409 WeakPolarHBondContact O-CB 3.4Å; N405-A409 PolarHBondContact O-N 2.94Å; N406-A409 PolarHBondContact O-N 3.4Å; A409-A411 VanDerWaalsContact C-N 3.34Å; A409-A411 PolarHBondContact O-N 3.1Å; A409-A412 PolarHBondContact O-N 3.3Å; A409-V413 WeakPolarHBondContact O-CG2 3.26Å; A409-V413 PolarHBondContact O-N 3.22Å
410	Q	66.6	Low	66.5	Low	108 Å²	108	95.4 Å²	95.4	51%	0.505	53%	0.526	S	S	.	.	H	α-helix	trans	-62.8	-39	173.5	-71.5	-179.6	42.1	0	0	112.2	N406 M407 V413 V414	N406-Q410 WeakPolarHBondContact O-CG 3.05Å; N406-Q410 PolarHBondContact O-N 3.32Å; N406-Q410 PolarHBondContact OD1-NE2 3.41Å; M407-Q410 PolarHBondContact O-N 2.83Å; Q410-V413 PolarHBondContact O-N 2.99Å; Q410-V414 WeakPolarHBondContact O-CG2 3.41Å; Q410-V414 PolarHBondContact O-N 3.47Å
411	A	67.5	Low	66.2	Low	61 Å²	61	93.3 Å²	93.3	50%	0.504	53%	0.526	S	S	.	.	H	α-helix	trans	-65.8	-38.5	176.1	0	0	0	0	0	112.5	M407 L408 A409 V414 S415	M407-A411 WeakPolarHBondContact O-CB 3.26Å; M407-A411 PolarHBondContact O-N 2.93Å; L408-A411 PolarHBondContact O-N 2.87Å; A409-A411 VanDerWaalsContact C-N 3.34Å; A409-A411 PolarHBondContact O-N 3.1Å; A411-V414 PolarHBondContact O-N 3.18Å; A411-S415 PolarHBondContact O-N 3.49Å; A411-S415 PolarHBondContact O-OG 2.91Å
412	A	70.5	Confident	65.5	Low	47 Å²	47	89.6 Å²	89.6	39%	0.388	52%	0.522	S	S	.	.	H	α-helix	trans	-67.4	-40.5	176.4	0	0	0	0	0	112.6	L408 A409 V414 S415 Q416	L408-A412 WeakPolarHBondContact O-CB 3.32Å; L408-A412 PolarHBondContact O-N 2.67Å; A409-A412 PolarHBondContact O-N 3.3Å; A412-V414 VanDerWaalsContact C-N 3.33Å; A412-V414 PolarHBondContact O-N 3.01Å; A412-S415 PolarHBondContact O-N 2.95Å; A412-S415 PolarHBondContact O-OG 3.34Å; A412-Q416 WeakPolarHBondContact O-CB 3.42Å; A412-Q416 WeakPolarHBondContact O-CG 3.22Å; A412-Q416 PolarHBondContact O-N 2.79Å
413	V	69.1	Low	65	Low	73 Å²	73	94.2 Å²	94.2	44%	0.442	54%	0.536	S	S	.	.	H	α-helix	trans	-64.1	-40.2	173.5	172.9	0	0	0	0	110.9	A409 Q410 Q417	A409-V413 WeakPolarHBondContact O-CG2 3.26Å; A409-V413 PolarHBondContact O-N 3.22Å; Q410-V413 PolarHBondContact O-N 2.99Å; V413-Q417 WeakPolarHBondContact O-CB 3.37Å; V413-Q417 VanDerWaalsContact O-CG 3.3Å; V413-Q417 WeakPolarHBondContact O-CG 3.18Å; V413-Q417 PolarHBondContact O-N 3.41Å
414	V	67.1	Low	64.8	Low	83 Å²	83	90.7 Å²	90.7	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-68.5	-36.5	176.5	170.8	0	0	0	0	112.1	Q410 A411 A412 K418	Q410-V414 WeakPolarHBondContact O-CG2 3.41Å; Q410-V414 PolarHBondContact O-N 3.47Å; A411-V414 PolarHBondContact O-N 3.18Å; A412-V414 VanDerWaalsContact C-N 3.33Å; A412-V414 PolarHBondContact O-N 3.01Å; V414-K418 WeakPolarHBondContact O-CB 3.47Å; V414-K418 PolarHBondContact O-N 3.35Å
415	S	70.5	Confident	63.7	Low	71 Å²	71	89 Å²	89	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-70.6	-39.5	175.6	66	0	0	0	0	112.2	A411 A412 K418 A419	A411-S415 PolarHBondContact O-N 3.49Å; A411-S415 PolarHBondContact O-OG 2.91Å; A412-S415 PolarHBondContact O-N 2.95Å; A412-S415 PolarHBondContact O-OG 3.34Å; S415-K418 PolarHBondContact O-N 2.63Å; S415-A419 WeakPolarHBondContact O-CB 3.37Å; S415-A419 PolarHBondContact O-N 3.43Å
416	Q	69	Low	62.5	Low	136 Å²	136	89.2 Å²	89.2	64%	0.636	55%	0.55	S	S	*	*	H	α-helix	trans	-61	-45.9	172.1	-75.8	178.4	-18.1	0	0	112	A412 K418 A419 A420	A412-Q416 WeakPolarHBondContact O-CB 3.42Å; A412-Q416 WeakPolarHBondContact O-CG 3.22Å; A412-Q416 PolarHBondContact O-N 2.79Å; Q416-K418 VanDerWaalsContact C-N 3.31Å; Q416-K418 PolarHBondContact O-N 3.33Å; Q416-A419 PolarHBondContact O-N 3.02Å; Q416-A420 WeakPolarHBondContact O-CB 3.38Å; Q416-A420 PolarHBondContact O-N 3.02Å
417	Q	69.2	Low	61.5	Low	125 Å²	125	89.5 Å²	89.5	58%	0.584	56%	0.559	S	S	*	*	H	α-helix	trans	-61	-38.9	174.7	-75.5	175.4	-4.2	0	0	112.3	V413 A421	V413-Q417 WeakPolarHBondContact O-CB 3.37Å; V413-Q417 VanDerWaalsContact O-CG 3.3Å; V413-Q417 WeakPolarHBondContact O-CG 3.18Å; V413-Q417 PolarHBondContact O-N 3.41Å; Q417-A421 WeakPolarHBondContact O-CB 3.31Å; Q417-A421 PolarHBondContact O-N 3.43Å
418	K	64.6	Low	59.9	Low	149 Å²	149	88.7 Å²	88.7	65%	0.648	58%	0.578	S	S	*	*	H	α-helix	trans	-72.3	-32.6	178.5	-155.4	178.3	-174.7	-169.4	0	112.7	V414 S415 Q416 A422	V414-K418 WeakPolarHBondContact O-CB 3.47Å; V414-K418 PolarHBondContact O-N 3.35Å; S415-K418 PolarHBondContact O-N 2.63Å; Q416-K418 VanDerWaalsContact C-N 3.31Å; Q416-K418 PolarHBondContact O-N 3.33Å; K418-A422 WeakPolarHBondContact O-CB 3.48Å; K418-A422 PolarHBondContact O-N 3.3Å; K418-A422 VanDerWaalsContact O-N 3.08Å
419	A	60.7	Low	57.8	Low	52 Å²	52	87.2 Å²	87.2	43%	0.43	59%	0.589	S	S	.	*	H	α-helix	trans	-69.6	-44.6	172.5	0	0	0	0	0	111.8	S415 Q416 A421 A422 M423	S415-A419 WeakPolarHBondContact O-CB 3.37Å; S415-A419 PolarHBondContact O-N 3.43Å; Q416-A419 PolarHBondContact O-N 3.02Å; A419-A421 PolarHBondContact O-N 3.11Å; A419-A422 WeakPolarHBondContact O-CB 3Å; A419-A422 PolarHBondContact O-N 3.43Å; A419-A422 VanDerWaalsContact O-N 3.15Å; A419-M423 PolarHBondContact O-N 3.39Å
420	A	54.2	Low	56.2	Low	64 Å²	64	93.4 Å²	93.4	53%	0.529	61%	0.613	S	S	.	*	H	α-helix	trans	-60.4	-43.6	174.7	0	0	0	0	0	111.9	Q416 A422 M423 A424	Q416-A420 WeakPolarHBondContact O-CB 3.38Å; Q416-A420 PolarHBondContact O-N 3.02Å; A420-A422 VanDerWaalsContact C-N 3.31Å; A420-A422 PolarHBondContact O-N 3.27Å; A420-M423 PolarHBondContact O-N 3.45Å; A420-A424 PolarHBondContact O-N 3.34Å
421	A	50.7	Low	54.6	Low	61 Å²	61	92.2 Å²	92.2	50%	0.504	63%	0.63	S	S	.	*	H	α-helix	trans	-63.8	-33.4	174.6	0	0	0	0	0	113.1	Q417 A419 A425	Q417-A421 WeakPolarHBondContact O-CB 3.31Å; Q417-A421 PolarHBondContact O-N 3.43Å; A419-A421 PolarHBondContact O-N 3.11Å; A421-A425 PolarHBondContact O-N 3.38Å
422	A	52.5	Low	53	Low	66 Å²	66	94.6 Å²	94.6	55%	0.545	64%	0.643	S	S	.	*	H	α-helix	trans	-70.4	-38.7	175	0	0	0	0	0	112.4	K418 A419 A420 A425	K418-A422 WeakPolarHBondContact O-CB 3.48Å; K418-A422 PolarHBondContact O-N 3.3Å; K418-A422 VanDerWaalsContact O-N 3.08Å; A419-A422 WeakPolarHBondContact O-CB 3Å; A419-A422 PolarHBondContact O-N 3.43Å; A419-A422 VanDerWaalsContact O-N 3.15Å; A420-A422 VanDerWaalsContact C-N 3.31Å; A420-A422 PolarHBondContact O-N 3.27Å; A422-A425 PolarHBondContact O-N 2.83Å
423	M	53.3	Low	51.5	Low	154 Å²	154	99.8 Å²	99.8	76%	0.759	66%	0.663	S	S	*	*	H	α-helix	trans	-72.9	-25.9	176.3	-68.8	-168.6	176.4	0	0	113.4	A419 A420 A425 S426	A419-M423 PolarHBondContact O-N 3.39Å; A420-M423 PolarHBondContact O-N 3.45Å; M423-A425 VanDerWaalsContact C-N 3.31Å; M423-S426 PolarHBondContact O-OG 3.29Å
424	A	52.3	Low	50	Low	74 Å²	74	101.7 Å²	101.7	61%	0.612	68%	0.679	S	S	*	*	H	α-helix	trans	-73.7	-20.7	172.2	0	0	0	0	0	113.5	A420	A420-A424 PolarHBondContact O-N 3.34Å
425	A	46.6	Very low	48.2	Very low	88 Å²	88	105.6 Å²	105.6	73%	0.727	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-0	-173.3	0	0	0	0	0	114.7	A421 A422 M423	A421-A425 PolarHBondContact O-N 3.38Å; A422-A425 PolarHBondContact O-N 2.83Å; M423-A425 VanDerWaalsContact C-N 3.31Å
426	S	44.9	Very low	46.5	Very low	102 Å²	102	107 Å²	107	71%	0.713	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	10.1	-173.3	51.8	0	0	0	0	115.3	M423	M423-S426 PolarHBondContact O-OG 3.29Å
427	S	45.8	Very low	44.7	Very low	97 Å²	97	106.7 Å²	106.7	68%	0.678	73%	0.726	S	S	*	*			trans	-125.7	112.3	-176.9	44.8	0	0	0	0	113.6
428	G	36.2	Very low	43.1	Very low	87 Å²	87	112 Å²	112	90%	0.897	74%	0.741	S	S	*	*			trans	91.8	140.6	169.4	0	0	0	0	0	115.6
429	G	32.9	Very low	41.8	Very low	78 Å²	78	113.5 Å²	113.5	80%	0.804	75%	0.752	S	S	*	*			cis	158.2	59.8	-2.9	0	0	0	0	0	115.5
430	L	36	Very low	40.6	Very low	186 Å²	186	120.3 Å²	120.3	97%	0.974	78%	0.778	S	S	*	*			trans	30	115.3	161.7	-59.8	176.7	0	0	0	119.7
431	G	33.7	Very low	39.8	Very low	83 Å²	83	122.6 Å²	122.6	86%	0.856	79%	0.79	S	S	*	*			trans	-158.4	137	161.6	0	0	0	0	0	111
432	S	33.2	Very low	39.1	Very low	110 Å²	110	127.4 Å²	127.4	77%	0.769	81%	0.805	S	S	*	*			trans	-145.3	140.3	-171.5	-180	0	0	0	0	111.5
433	L	38.2	Very low	38.4	Very low	157 Å²	157	130.1 Å²	130.1	82%	0.822	82%	0.817	S	S	*	*				168.8	157	126.3	-91.3	163.6	0	0	0	114.6
434	S	39.2	Very low	37.5	Very low	112 Å²	112	126.2 Å²	126.2	78%	0.783	82%	0.817	S	S	*	*			trans	64.1	114.8	153.9	51.1	0	0	0	0	122
435	N	29.1	Very low	36.7	Very low	166 Å²	166	132.8 Å²	132.8	89%	0.888	83%	0.832	S	S	*	*			trans	-48.1	145.4	167.2	-58.3	-26.5	0	0	0	116.8
436	A	34.4	Very low	36.2	Very low	100 Å²	100	136 Å²	136	83%	0.826	84%	0.836	S	S	*	*			trans	-155.1	134	136.6	0	0	0	0	0	111	R438	A436-R438 PolarHBondContact O-N 2.89Å
437	S	31.6	Very low	35.6	Very low	129 Å²	129	136.5 Å²	136.5	90%	0.902	84%	0.837	S	S	*	*			trans	-77.9	109.2	-172.2	-56.9	0	0	0	0	113.7
438	R	34.9	Very low	35	Very low	236 Å²	236	139.5 Å²	139.5	89%	0.891	85%	0.845	S	S	*	*			trans	-141.7	105	162.4	-92	-177.3	179	169.4	0.6	113.1	A436	A436-R438 PolarHBondContact O-N 2.89Å
439	M	36.5	Very low	34.8	Very low	181 Å²	181	143.6 Å²	143.6	89%	0.892	84%	0.841	S	S	*	*			trans	18	108.6	145.7	-53.8	169	-166.7	0	0	116.6	S441	M439-S441 PolarHBondContact O-N 3.28Å
440	M	35.6	Very low	34.6	Very low	195 Å²	195	146.1 Å²	146.1	96%	0.961	85%	0.846	S	S	*	*			trans	-65.8	106.5	179.6	-70.7	-165.4	-179.2	0	0	112.7
441	S	38	Very low	34.5	Very low	112 Å²	112	142.4 Å²	142.4	78%	0.783	84%	0.835	S	S	*	*			trans	-84.9	111.6	165.2	-64.8	0	0	0	0	109.7	M439 P443	M439-S441 PolarHBondContact O-N 3.28Å; S441-P443 WeakPolarHBondContact O-CD 3.27Å
442	I	36.8	Very low	34.4	Very low	162 Å²	162	143.6 Å²	143.6	83%	0.831	83%	0.831	S	S	*	*			trans	-72.5	119	175.9	-61.1	175.3	0	0	0	108.9
443	P	36.6	Very low	34.4	Very low	123 Å²	123	145.8 Å²	145.8	80%	0.799	83%	0.834	S	S	*	*			trans	-70.8	142.2	179.5	-16.1	31	0	0	0	111.7	S441	S441-P443 WeakPolarHBondContact O-CD 3.27Å
444	G	35.1	Very low	34.2	Very low	73 Å²	73	146 Å²	146	75%	0.753	83%	0.832	S	S	*	*			trans	162.7	-17.7	169.1	0	0	0	0	0	118.1
445	F	34.5	Very low	34.2	Very low	211 Å²	211	145.5 Å²	145.5	93%	0.925	83%	0.829	S	S	*	*			trans	-132.7	114.6	178.2	-106	-97.9	0	0	0	111.6
446	L	36.2	Very low	35	Very low	155 Å²	155	143.6 Å²	143.6	81%	0.812	83%	0.826	S	S	*	*			trans	-74.7	144.8	166.1	-70.1	170.1	0	0	0	109.8	L448	L446-L448 PolarHBondContact O-N 2.87Å
447	P	33.4	Very low	35.7	Very low	114 Å²	114	143.8 Å²	143.8	74%	0.74	82%	0.821	S	S	*	*			trans	-70.6	109.7	169.3	29.6	-32	0	0	0	108.9	Q449	P447-Q449 PolarHBondContact O-N 3Å
448	L	33.7	Very low	36.5	Very low	159 Å²	159	144.8 Å²	144.8	83%	0.832	81%	0.813	S	S	*	*			trans	-69.9	99.5	170.8	-86.2	171.5	0	0	0	109.4	L446	L446-L448 PolarHBondContact O-N 2.87Å
449	Q	31.5	Very low	37.5	Very low	174 Å²	174	138.5 Å²	138.5	81%	0.813	80%	0.801	S	S	*	*			trans	-58.2	159.3	167.2	-66.5	176	-68.2	0	0	110.8	P447 S451	P447-Q449 PolarHBondContact O-N 3Å; Q449-S451 PolarHBondContact O-N 2.71Å
450	S	28.1	Very low	38.7	Very low	130 Å²	130	133.5 Å²	133.5	91%	0.909	78%	0.776	S	S	*	*			trans	-64	104.5	-176.8	51.1	0	0	0	0	113
451	S	34	Very low	40.4	Very low	108 Å²	108	129.7 Å²	129.7	76%	0.755	75%	0.753	S	S	*	*			trans	-111.6	104.9	158.1	54.5	0	0	0	0	110	Q449 N453	Q449-S451 PolarHBondContact O-N 2.71Å; S451-N453 PolarHBondContact O-N 3.26Å
452	S	32.9	Very low	42.2	Very low	108 Å²	108	124.5 Å²	124.5	76%	0.755	72%	0.717	S	S	*	*			trans	-69.2	119.5	172.5	49.1	0	0	0	0	110.2
453	N	32.9	Very low	43.5	Very low	156 Å²	156	124.4 Å²	124.4	83%	0.834	72%	0.718	S	S	*	*			trans	162.8	72	148.3	-83.5	-18.4	0	0	0	111.9	S451	S451-N453 PolarHBondContact O-N 3.26Å
454	M	33.3	Very low	45.1	Very low	161 Å²	161	125.1 Å²	125.1	79%	0.793	71%	0.705	S	S	*	*			trans	-143.2	135.7	161.6	-76.9	-163.8	160.7	0	0	110.5
455	S	39.2	Very low	47.2	Very low	103 Å²	103	122.9 Å²	122.9	72%	0.72	68%	0.677	S	S	*	*			trans	-71.5	137.8	-168.3	-174.8	0	0	0	0	113.2	S457	S455-S457 PolarHBondContact O-N 2.89Å; S455-S457 VanDerWaalsContact O-N 3.13Å
456	P	45.7	Very low	49.1	Very low	125 Å²	125	116.7 Å²	116.7	81%	0.812	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-5.6	-174.3	-20.4	33.5	0	0	0	116.5	M458	P456-M458 PolarHBondContact O-N 3.27Å
457	S	48.7	Very low	51	Low	105 Å²	105	113.5 Å²	113.5	73%	0.734	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-10.7	-157.3	-163	0	0	0	0	116.9	S455	S455-S457 PolarHBondContact O-N 2.89Å; S455-S457 VanDerWaalsContact O-N 3.13Å
458	M	49.3	Very low	53.2	Low	149 Å²	149	111.8 Å²	111.8	73%	0.734	62%	0.622	S	S	*	*			trans	-100.2	107.6	-176.6	-86.4	-167	-84.9	0	0	114.1	P456 Q460	P456-M458 PolarHBondContact O-N 3.27Å; M458-Q460 WeakPolarHBondContact O-CG 3.32Å; M458-Q460 PolarHBondContact O-N 3.46Å; M458-Q460 PolarHBondContact O-NE2 2.84Å
459	V	55.1	Low	55.2	Low	104 Å²	104	104.3 Å²	104.3	63%	0.63	58%	0.583	S	S	*	*			trans	-48.9	114	163.7	172.8	0	0	0	0	111	V468	V459-V468 HydrophobicContact CG1-CG1 3.12Å
460	Q	63	Low	57.3	Low	77 Å²	77	102.2 Å²	102.2	36%	0.36	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.1	121.3	-173.8	-64.6	-57.4	-52.4	0	0	112.1	M458 A469 L475	M458-Q460 WeakPolarHBondContact O-CG 3.32Å; M458-Q460 PolarHBondContact O-N 3.46Å; M458-Q460 PolarHBondContact O-NE2 2.84Å; Q460-A469 PolarHBondContact N-O 3.48Å; Q460-A469 PolarHBondContact O-N 2.99Å; Q460-L475 HydrophobicContact CB-CD1 4.28Å; Q460-L475 HydrophobicContact CB-CD2 3.91Å; Q460-L475 HydrophobicContact CB-CG 4.47Å; Q460-L475 HydrophobicContact CG-CD2 4.28Å
461	K	69.7	Low	59.7	Low	114 Å²	114	97.2 Å²	97.2	50%	0.496	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.3	132	172.7	-170.3	172.8	-176.7	176.3	0	111.4	N463 D466 V468	K461-N463 PolarHBondContact O-N 3.19Å; K461-D466 VanDerWaalsContact CE-OD1 3.29Å; K461-D466 WeakPolarHBondContact CE-OD1 3.34Å; K461-D466 IonicContact NZ-OD1 2.7Å; K461-D466 PolarHBondContact NZ-OD1 2.87Å; K461-V468 HydrophobicContact CG-CG2 4.44Å
462	C	77.2	Confident	61.7	Low	3 Å²	3	100.7 Å²	100.7	2%	0.02	55%	0.548	C	S	.	.	P	Polyproline II helix	trans	-70.9	121.7	173.1	179.6	0	0	0	0	111	W464 C465 H467 L475 H478	C462-W464 PolarHBondContact O-N 2.88Å; C462-W464 VanDerWaalsContact O-N 3.11Å; C462-W464 PolarHBondContact SG-N 2.87Å; C462-W464 VanDerWaalsContact SG-N 3.35Å; C462-C465 PolarHBondContact O-N 3.25Å; C462-H467 PolarHBondContact N-O 3.1Å; C462-L475 HydrophobicContact CB-CD1 4.2Å; C462-H478 PolarHBondContact SG-NE2 3.1Å
463	N	64.2	Low	63.8	Low	160 Å²	160	102.1 Å²	102.1	86%	0.856	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-17	175.6	-80.4	-34.1	0	0	0	113.9	K461	K461-N463 PolarHBondContact O-N 3.19Å
464	W	69.2	Low	65.9	Low	139 Å²	139	96.3 Å²	96.3	53%	0.527	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	0.5	-179.5	-72.6	-5.8	0	0	0	114.9	C462 H482 L486 R612	C462-W464 PolarHBondContact O-N 2.88Å; C462-W464 VanDerWaalsContact O-N 3.11Å; C462-W464 PolarHBondContact SG-N 2.87Å; C462-W464 VanDerWaalsContact SG-N 3.35Å; W464-H482 HydrophobicContact CE3-CB 3.59Å; W464-H482 AromaticContact CE3-CG 3.85Å; W464-H482 AromaticContact CE3-ND1 4Å; W464-H482 HydrophobicContact CZ3-CB 3.9Å; W464-L486 HydrophobicContact CE3-CD1 4.42Å; W464-L486 HydrophobicContact CH2-CD1 3.61Å; W464-L486 HydrophobicContact CZ3-CD1 3.5Å; W464-L486 VanDerWaalsContact CZ3-CD1 3.5Å; W464-R612 VanDerWaalsContact C-NH2 3.35Å; W464-R612 PolarHBondContact O-NH1 3.43Å; W464-R612 PolarHBondContact O-NH2 3.12Å; W464-R612 VanDerWaalsContact O-NH2 3.08Å
465	C	79.4	Confident	68.1	Low	25 Å²	25	90 Å²	90	17%	0.169	49%	0.486	C	S	.	.	S	Bend	trans	-149.2	-151.4	168.5	66.1	0	0	0	0	111.5	C462 H467 H478 R612	C462-C465 PolarHBondContact O-N 3.25Å; C465-H467 WeakPolarHBondContact SG-CB 3.34Å; C465-H467 PolarHBondContact SG-N 2.94Å; C465-H478 PolarHBondContact SG-CE1 3.26Å; C465-H478 PolarHBondContact SG-NE2 3.26Å; C465-R612 VanDerWaalsContact CA-NH2 3.31Å
466	D	74.3	Confident	70.1	Confident	81 Å²	81	87.9 Å²	87.9	43%	0.433	47%	0.474	S	S	.	.	S	Bend	trans	-111.5	6.6	166.3	-81.1	-58.8	0	0	0	112.4	K461 R616	K461-D466 VanDerWaalsContact CE-OD1 3.29Å; K461-D466 WeakPolarHBondContact CE-OD1 3.34Å; K461-D466 IonicContact NZ-OD1 2.7Å; K461-D466 PolarHBondContact NZ-OD1 2.87Å; D466-R616 IonicContact OD2-CZ 3.87Å; D466-R616 IonicContact OD2-NH1 3.92Å; D466-R616 PolarHBondContact OD2-NH1 3.24Å; D466-R616 IonicContact OD2-NH2 3.48Å; D466-R616 PolarHBondContact OD2-NH2 2.81Å
467	H	76.9	Confident	71.9	Confident	89 Å²	89	88.6 Å²	88.6	41%	0.412	46%	0.464	S	S	.	.			trans	-62	138.3	176.6	-170.6	-83.2	0	0	0	111	C462 C465 H478	C462-H467 PolarHBondContact N-O 3.1Å; C465-H467 WeakPolarHBondContact SG-CB 3.34Å; C465-H467 PolarHBondContact SG-N 2.94Å; H467-H478 VanDerWaalsContact CB-CE1 3.42Å; H467-H478 WeakPolarHBondContact CB-CE1 3.48Å; H467-H478 AromaticContact CD2-ND1 3.88Å; H467-H478 AromaticContact CG-CE1 3.64Å; H467-H478 AromaticContact CG-ND1 3.62Å; H467-H478 AromaticContact ND1-CG 3.94Å; H467-H478 AromaticContact ND1-ND1 3.8Å
468	V	79.4	Confident	73.6	Confident	78 Å²	78	85.1 Å²	85.1	47%	0.473	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	109.3	-177.9	175.4	0	0	0	0	106.7	V459 K461	V459-V468 HydrophobicContact CG1-CG1 3.12Å; K461-V468 HydrophobicContact CG-CG2 4.44Å
469	A	75.5	Confident	75.2	Confident	1 Å²	1	81.6 Å²	81.6	1%	0.008	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	132.2	-179.2	0	0	0	0	0	110.8	Q460 G471 A474 L475	Q460-A469 PolarHBondContact N-O 3.48Å; Q460-A469 PolarHBondContact O-N 2.99Å; A469-G471 PolarHBondContact O-N 2.64Å; A469-A474 HydrophobicContact CB-CB 4.08Å; A469-L475 HydrophobicContact CB-CB 3.76Å; A469-L475 HydrophobicContact CB-CD1 4.05Å
470	T	75.8	Confident	76.7	Confident	131 Å²	131	81.2 Å²	81.2	80%	0.804	41%	0.414	S	S	*	.	S	Bend	trans	-74.8	-4.8	177.8	47.9	0	0	0	0	114
471	G	77.8	Confident	77.6	Confident	24 Å²	24	81.5 Å²	81.5	25%	0.247	42%	0.421	C	S	.	.	S	Bend	trans	-174.7	172	178.4	0	0	0	0	0	112.9	A469 E473 A474 L475	A469-G471 PolarHBondContact O-N 2.64Å; G471-E473 PolarHBondContact O-N 3.06Å; G471-A474 PolarHBondContact O-N 3.3Å; G471-L475 PolarHBondContact O-N 3.24Å
472	R	76	Confident	78.1	Confident	182 Å²	182	77.5 Å²	77.5	69%	0.687	40%	0.404	S	S	*	.	H	α-helix	trans	-62.1	-38.8	-174.8	-162.5	175.8	-171	163.7	2.2	112.8	L475 A476	R472-L475 PolarHBondContact O-N 2.92Å; R472-A476 WeakPolarHBondContact O-CB 3.36Å; R472-A476 PolarHBondContact O-N 3.16Å
473	E	76.8	Confident	78.2	Confident	137 Å²	137	82.8 Å²	82.8	64%	0.64	43%	0.427	S	S	*	.	H	α-helix	trans	-67.9	-42.2	175.1	-69.1	-172.7	-159.2	0	0	113.3	G471 L475 A476 K477	G471-E473 PolarHBondContact O-N 3.06Å; E473-L475 PolarHBondContact O-N 2.99Å; E473-A476 PolarHBondContact O-N 3.44Å; E473-A476 VanDerWaalsContact O-N 3.13Å; E473-K477 WeakPolarHBondContact O-CB 3.41Å; E473-K477 WeakPolarHBondContact O-CG 3.42Å; E473-K477 PolarHBondContact O-N 2.92Å; E473-K477 IonicContact OE2-NZ 3.54Å
474	A	77.6	Confident	78.9	Confident	34 Å²	34	78.6 Å²	78.6	28%	0.281	40%	0.404	S	S	.	.	H	α-helix	trans	-62	-37.8	176.4	0	0	0	0	0	110.4	A469 G471 H478	A469-A474 HydrophobicContact CB-CB 4.08Å; G471-A474 PolarHBondContact O-N 3.3Å; A474-H478 WeakPolarHBondContact O-CB 3.42Å; A474-H478 PolarHBondContact O-N 3.48Å
475	L	80.1	Confident	79.3	Confident	30 Å²	30	75.6 Å²	75.6	16%	0.157	40%	0.398	C	S	.	.	H	α-helix	trans	-66.3	-42.4	171.9	-170.3	72.4	0	0	0	111.9	Q460 C462 A469 G471 R472 E473 H478 L479	Q460-L475 HydrophobicContact CB-CD1 4.28Å; Q460-L475 HydrophobicContact CB-CD2 3.91Å; Q460-L475 HydrophobicContact CB-CG 4.47Å; Q460-L475 HydrophobicContact CG-CD2 4.28Å; C462-L475 HydrophobicContact CB-CD1 4.2Å; A469-L475 HydrophobicContact CB-CB 3.76Å; A469-L475 HydrophobicContact CB-CD1 4.05Å; G471-L475 PolarHBondContact O-N 3.24Å; R472-L475 PolarHBondContact O-N 2.92Å; E473-L475 PolarHBondContact O-N 2.99Å; L475-H478 PolarHBondContact O-N 3.27Å; L475-L479 HydrophobicContact CD2-CD1 4.37Å; L475-L479 HydrophobicContact CG-CD1 3.99Å; L475-L479 HydrophobicContact CG-CG 4.37Å; L475-L479 WeakPolarHBondContact O-CB 3.38Å; L475-L479 VanDerWaalsContact O-CG 3.27Å; L475-L479 WeakPolarHBondContact O-CG 3.46Å; L475-L479 PolarHBondContact O-N 3.36Å
476	A	81.1	Confident	79.2	Confident	57 Å²	57	78.1 Å²	78.1	47%	0.471	41%	0.409	S	S	.	.	H	α-helix	trans	-64.3	-48.8	179.6	0	0	0	0	0	112.2	R472 E473 H478 L479 L480	R472-A476 WeakPolarHBondContact O-CB 3.36Å; R472-A476 PolarHBondContact O-N 3.16Å; E473-A476 PolarHBondContact O-N 3.44Å; E473-A476 VanDerWaalsContact O-N 3.13Å; A476-H478 VanDerWaalsContact C-N 3.3Å; A476-H478 PolarHBondContact O-N 3Å; A476-L479 PolarHBondContact O-N 3.32Å; A476-L480 PolarHBondContact O-N 3.48Å
477	K	83.4	Confident	79.2	Confident	141 Å²	141	78.1 Å²	78.1	61%	0.613	41%	0.409	S	S	*	.	H	α-helix	trans	-57.1	-44.3	173.3	-71.5	167.9	178.2	161.7	0	110.8	E473 L480 V481	E473-K477 WeakPolarHBondContact O-CB 3.41Å; E473-K477 WeakPolarHBondContact O-CG 3.42Å; E473-K477 PolarHBondContact O-N 2.92Å; E473-K477 IonicContact OE2-NZ 3.54Å; K477-L480 VanDerWaalsContact O-CB 3.32Å; K477-L480 WeakPolarHBondContact O-CB 3.41Å; K477-L480 PolarHBondContact O-N 3.15Å; K477-V481 PolarHBondContact O-N 3.42Å
478	H	83.6	Confident	79	Confident	32 Å²	32	79.4 Å²	79.4	15%	0.148	42%	0.417	C	S	.	.	H	α-helix	trans	-64.6	-40.2	176.5	178.2	78.8	0	0	0	113.5	C462 C465 H467 A474 L475 A476 L480 V481 H482	C462-H478 PolarHBondContact SG-NE2 3.1Å; C465-H478 PolarHBondContact SG-CE1 3.26Å; C465-H478 PolarHBondContact SG-NE2 3.26Å; H467-H478 VanDerWaalsContact CB-CE1 3.42Å; H467-H478 WeakPolarHBondContact CB-CE1 3.48Å; H467-H478 AromaticContact CD2-ND1 3.88Å; H467-H478 AromaticContact CG-CE1 3.64Å; H467-H478 AromaticContact CG-ND1 3.62Å; H467-H478 AromaticContact ND1-CG 3.94Å; H467-H478 AromaticContact ND1-ND1 3.8Å; A474-H478 WeakPolarHBondContact O-CB 3.42Å; A474-H478 PolarHBondContact O-N 3.48Å; L475-H478 PolarHBondContact O-N 3.27Å; A476-H478 VanDerWaalsContact C-N 3.3Å; A476-H478 PolarHBondContact O-N 3Å; H478-L480 VanDerWaalsContact C-N 3.29Å; H478-L480 PolarHBondContact O-N 3.16Å; H478-V481 WeakPolarHBondContact O-CB 3.46Å; H478-V481 PolarHBondContact O-N 3Å; H478-H482 AromaticContact CD2-CD2 3.85Å; H478-H482 AromaticContact CD2-NE2 3.72Å; H478-H482 AromaticContact CE1-NE2 3.56Å; H478-H482 AromaticContact NE2-CD2 3.52Å; H478-H482 AromaticContact NE2-NE2 2.92Å; H478-H482 PolarHBondContact NE2-NE2 2.94Å; H478-H482 PolarHBondContact O-CD2 2.89Å; H478-H482 VanDerWaalsContact O-CD2 3.31Å; H478-H482 PolarHBondContact O-N 3.48Å
479	L	83.8	Confident	78.7	Confident	74 Å²	74	78.3 Å²	78.3	39%	0.387	41%	0.407	S	S	.	.	H	α-helix	trans	-68.7	-27.3	176.1	-73.7	171.1	0	0	0	112.5	L475 A476 H482 K483	L475-L479 HydrophobicContact CD2-CD1 4.37Å; L475-L479 HydrophobicContact CG-CD1 3.99Å; L475-L479 HydrophobicContact CG-CG 4.37Å; L475-L479 WeakPolarHBondContact O-CB 3.38Å; L475-L479 VanDerWaalsContact O-CG 3.27Å; L475-L479 WeakPolarHBondContact O-CG 3.46Å; L475-L479 PolarHBondContact O-N 3.36Å; A476-L479 PolarHBondContact O-N 3.32Å; L479-H482 PolarHBondContact O-N 3.32Å; L479-K483 PolarHBondContact O-N 2.9Å; L479-K483 VanDerWaalsContact O-N 3.09Å
480	L	85.5	Confident	78.5	Confident	97 Å²	97	83 Å²	83	51%	0.508	43%	0.432	S	S	.	.	H	α-helix	trans	-61.7	-44.4	171.7	-142.6	72	0	0	0	111.2	A476 K477 H478 H482 K483 D484	A476-L480 PolarHBondContact O-N 3.48Å; K477-L480 VanDerWaalsContact O-CB 3.32Å; K477-L480 WeakPolarHBondContact O-CB 3.41Å; K477-L480 PolarHBondContact O-N 3.15Å; H478-L480 VanDerWaalsContact C-N 3.29Å; H478-L480 PolarHBondContact O-N 3.16Å; L480-H482 PolarHBondContact O-N 3.17Å; L480-K483 HydrophobicContact CD1-CD 4.39Å; L480-K483 WeakPolarHBondContact O-CA 3.42Å; L480-K483 VanDerWaalsContact O-CB 3.29Å; L480-K483 WeakPolarHBondContact O-CB 3.46Å; L480-K483 PolarHBondContact O-N 3.45Å; L480-D484 PolarHBondContact O-N 3.28Å
481	V	83.4	Confident	77.9	Confident	82 Å²	82	83.1 Å²	83.1	50%	0.497	43%	0.425	S	S	.	.	H	α-helix	trans	-57.2	-36.9	174.6	-178.6	0	0	0	0	112	K477 H478 D484 I485	K477-V481 PolarHBondContact O-N 3.42Å; H478-V481 WeakPolarHBondContact O-CB 3.46Å; H478-V481 PolarHBondContact O-N 3Å; V481-D484 PolarHBondContact O-N 3Å; V481-I485 HydrophobicContact CG1-CD1 3.92Å; V481-I485 WeakPolarHBondContact O-CB 3.34Å; V481-I485 WeakPolarHBondContact O-CD1 3.46Å; V481-I485 VanDerWaalsContact O-CG1 3.25Å; V481-I485 WeakPolarHBondContact O-CG1 3.43Å; V481-I485 PolarHBondContact O-N 3.45Å
482	H	80.1	Confident	77.4	Confident	30 Å²	30	88.5 Å²	88.5	14%	0.139	45%	0.448	C	S	.	.	H	α-helix	trans	-68.9	-37.3	173.4	-72.2	-88.8	0	0	0	113.3	W464 H478 L479 L480 D484 L486	W464-H482 HydrophobicContact CE3-CB 3.59Å; W464-H482 AromaticContact CE3-CG 3.85Å; W464-H482 AromaticContact CE3-ND1 4Å; W464-H482 HydrophobicContact CZ3-CB 3.9Å; H478-H482 AromaticContact CD2-CD2 3.85Å; H478-H482 AromaticContact CD2-NE2 3.72Å; H478-H482 AromaticContact CE1-NE2 3.56Å; H478-H482 AromaticContact NE2-CD2 3.52Å; H478-H482 AromaticContact NE2-NE2 2.92Å; H478-H482 PolarHBondContact NE2-NE2 2.94Å; H478-H482 PolarHBondContact O-CD2 2.89Å; H478-H482 VanDerWaalsContact O-CD2 3.31Å; H478-H482 PolarHBondContact O-N 3.48Å; L479-H482 PolarHBondContact O-N 3.32Å; L480-H482 PolarHBondContact O-N 3.17Å; H482-D484 VanDerWaalsContact C-N 3.3Å; H482-L486 WeakPolarHBondContact O-CB 3.38Å; H482-L486 VanDerWaalsContact O-CG 3.27Å; H482-L486 WeakPolarHBondContact O-CG 2.69Å; H482-L486 PolarHBondContact O-N 3.26Å
483	K	78.8	Confident	76.5	Confident	115 Å²	115	83 Å²	83	50%	0.5	44%	0.437	S	S	.	.	H	α-helix	trans	-60	-44	174.1	176.8	-164.1	170.7	-164.1	0	110.3	L479 L480 L486 N487	L479-K483 PolarHBondContact O-N 2.9Å; L479-K483 VanDerWaalsContact O-N 3.09Å; L480-K483 HydrophobicContact CD1-CD 4.39Å; L480-K483 WeakPolarHBondContact O-CA 3.42Å; L480-K483 VanDerWaalsContact O-CB 3.29Å; L480-K483 WeakPolarHBondContact O-CB 3.46Å; L480-K483 PolarHBondContact O-N 3.45Å; K483-L486 PolarHBondContact O-N 3.29Å; K483-N487 PolarHBondContact O-N 3.11Å
484	D	78.7	Confident	75.3	Confident	71 Å²	71	80.2 Å²	80.2	38%	0.38	43%	0.433	S	S	.	.	H	α-helix	trans	-72.8	-37.9	-176.6	-57.5	-31.3	0	0	0	111.7	L480 V481 H482 N487 M488	L480-D484 PolarHBondContact O-N 3.28Å; V481-D484 PolarHBondContact O-N 3Å; H482-D484 VanDerWaalsContact C-N 3.3Å; D484-N487 PolarHBondContact O-N 3.32Å; D484-M488 WeakPolarHBondContact O-CG 3.49Å; D484-M488 PolarHBondContact O-N 3.03Å
485	I	77.7	Confident	73.7	Confident	77 Å²	77	83.4 Å²	83.4	40%	0.395	45%	0.453	S	S	.	.	H	α-helix	trans	-60.3	-43.9	169	-70.2	166.8	0	0	0	111.5	V481 M488 I489	V481-I485 HydrophobicContact CG1-CD1 3.92Å; V481-I485 WeakPolarHBondContact O-CB 3.34Å; V481-I485 WeakPolarHBondContact O-CD1 3.46Å; V481-I485 VanDerWaalsContact O-CG1 3.25Å; V481-I485 WeakPolarHBondContact O-CG1 3.43Å; V481-I485 PolarHBondContact O-N 3.45Å; I485-M488 HydrophobicContact CG1-CE 4.25Å; I485-M488 PolarHBondContact O-N 3.4Å; I485-I489 HydrophobicContact CG2-CD1 3.87Å; I485-I489 VanDerWaalsContact O-CG1 3.31Å; I485-I489 WeakPolarHBondContact O-CG1 3.37Å; I485-I489 PolarHBondContact O-N 2.96Å
486	L	77.4	Confident	71.7	Confident	78 Å²	78	85.3 Å²	85.3	41%	0.408	48%	0.48	S	S	.	.	H	α-helix	trans	-64.7	-39.9	176.6	-75.3	171.4	0	0	0	111.9	W464 H482 K483 I489 N490	W464-L486 HydrophobicContact CE3-CD1 4.42Å; W464-L486 HydrophobicContact CH2-CD1 3.61Å; W464-L486 HydrophobicContact CZ3-CD1 3.5Å; W464-L486 VanDerWaalsContact CZ3-CD1 3.5Å; H482-L486 WeakPolarHBondContact O-CB 3.38Å; H482-L486 VanDerWaalsContact O-CG 3.27Å; H482-L486 WeakPolarHBondContact O-CG 2.69Å; H482-L486 PolarHBondContact O-N 3.26Å; K483-L486 PolarHBondContact O-N 3.29Å; L486-I489 PolarHBondContact O-N 3.36Å; L486-N490 WeakPolarHBondContact O-CB 3.46Å; L486-N490 PolarHBondContact O-N 3.36Å
487	N	74.2	Confident	69.7	Low	81 Å²	81	89 Å²	89	43%	0.433	50%	0.496	S	S	.	.	H	α-helix	trans	-61.7	-45.4	175	-76.2	-17.5	0	0	0	111.7	K483 D484 I489 N490 M491	K483-N487 PolarHBondContact O-N 3.11Å; D484-N487 PolarHBondContact O-N 3.32Å; N487-I489 PolarHBondContact O-N 3.29Å; N487-N490 PolarHBondContact O-N 3.47Å; N487-M491 WeakPolarHBondContact O-CG 3.19Å; N487-M491 PolarHBondContact O-N 3.28Å
488	M	73.1	Confident	67.4	Low	116 Å²	116	87.4 Å²	87.4	57%	0.571	51%	0.51	S	S	*	.	H	α-helix	trans	-60.4	-44.7	175.5	-73.2	-172.9	-73.6	0	0	112	D484 I485 N490 M491 L492	D484-M488 WeakPolarHBondContact O-CG 3.49Å; D484-M488 PolarHBondContact O-N 3.03Å; I485-M488 HydrophobicContact CG1-CE 4.25Å; I485-M488 PolarHBondContact O-N 3.4Å; M488-N490 VanDerWaalsContact C-N 3.28Å; M488-N490 PolarHBondContact O-N 3.05Å; M488-M491 PolarHBondContact O-N 3.06Å; M488-L492 WeakPolarHBondContact O-CB 3.31Å; M488-L492 VanDerWaalsContact O-CG 3.3Å; M488-L492 WeakPolarHBondContact O-CG 3.41Å; M488-L492 PolarHBondContact O-N 3.32Å
489	I	73.3	Confident	65.1	Low	54 Å²	54	89.7 Å²	89.7	28%	0.277	54%	0.542	S	S	.	.	H	α-helix	trans	-61.5	-38.1	175.5	-68.2	166	0	0	0	111.2	I485 L486 N487 S493	I485-I489 HydrophobicContact CG2-CD1 3.87Å; I485-I489 VanDerWaalsContact O-CG1 3.31Å; I485-I489 WeakPolarHBondContact O-CG1 3.37Å; I485-I489 PolarHBondContact O-N 2.96Å; L486-I489 PolarHBondContact O-N 3.36Å; N487-I489 PolarHBondContact O-N 3.29Å; I489-S493 WeakPolarHBondContact O-CB 3.08Å; I489-S493 PolarHBondContact O-N 3.32Å; I489-S493 PolarHBondContact O-OG 3.06Å
490	N	70.4	Confident	62.9	Low	100 Å²	100	91.8 Å²	91.8	54%	0.535	56%	0.563	S	S	.	*	H	α-helix	trans	-73	-36.9	-179	-147.5	42.5	0	0	0	112.2	L486 N487 M488 S493 S494	L486-N490 WeakPolarHBondContact O-CB 3.46Å; L486-N490 PolarHBondContact O-N 3.36Å; N487-N490 PolarHBondContact O-N 3.47Å; M488-N490 VanDerWaalsContact C-N 3.28Å; M488-N490 PolarHBondContact O-N 3.05Å; N490-S493 PolarHBondContact O-N 2.97Å; N490-S494 WeakPolarHBondContact O-CB 3.48Å; N490-S494 PolarHBondContact O-N 3.24Å; N490-S494 PolarHBondContact O-OG 2.93Å
491	M	63.2	Low	60.7	Low	133 Å²	133	92.5 Å²	92.5	66%	0.655	57%	0.574	S	S	*	*	H	α-helix	trans	-60.9	-51.6	170.4	-70.5	-71.9	102.3	0	0	111.1	N487 M488 S493 S494 S495	N487-M491 WeakPolarHBondContact O-CG 3.19Å; N487-M491 PolarHBondContact O-N 3.28Å; M488-M491 PolarHBondContact O-N 3.06Å; M491-S493 PolarHBondContact O-N 3.39Å; M491-S494 PolarHBondContact O-N 3.06Å; M491-S495 PolarHBondContact O-N 3.25Å
492	L	67	Low	58.3	Low	138 Å²	138	97.1 Å²	97.1	72%	0.723	59%	0.587	S	S	*	*	H	α-helix	trans	-61.2	-24.1	176.8	-69.2	168.1	0	0	0	113.4	M488	M488-L492 WeakPolarHBondContact O-CB 3.31Å; M488-L492 VanDerWaalsContact O-CG 3.3Å; M488-L492 WeakPolarHBondContact O-CG 3.41Å; M488-L492 PolarHBondContact O-N 3.32Å
493	S	57.4	Low	56	Low	65 Å²	65	102.3 Å²	102.3	46%	0.455	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85	-7.5	175.3	-58.1	0	0	0	0	113.8	I489 N490 M491	I489-S493 WeakPolarHBondContact O-CB 3.08Å; I489-S493 PolarHBondContact O-N 3.32Å; I489-S493 PolarHBondContact O-OG 3.06Å; N490-S493 PolarHBondContact O-N 2.97Å; M491-S493 PolarHBondContact O-N 3.39Å
494	S	51.3	Low	54.1	Low	80 Å²	80	103.6 Å²	103.6	56%	0.559	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	-23	-172.5	-58.9	0	0	0	0	113.8	N490 M491 G496	N490-S494 WeakPolarHBondContact O-CB 3.48Å; N490-S494 PolarHBondContact O-N 3.24Å; N490-S494 PolarHBondContact O-OG 2.93Å; M491-S494 PolarHBondContact O-N 3.06Å; S494-G496 PolarHBondContact O-N 3.39Å
495	S	43.3	Very low	52.1	Low	101 Å²	101	108 Å²	108	71%	0.706	65%	0.646	S	S	*	*			trans	-76.8	53	-179.6	57.4	0	0	0	0	113	M491	M491-S495 PolarHBondContact O-N 3.25Å
496	G	38.3	Very low	50.5	Low	69 Å²	69	110.6 Å²	110.6	71%	0.711	67%	0.666	S	S	*	*			trans	-102.1	1.6	-168.7	0	0	0	0	0	116.7	S494	S494-G496 PolarHBondContact O-N 3.39Å
497	T	38.7	Very low	48.7	Very low	134 Å²	134	112.7 Å²	112.7	82%	0.822	69%	0.687	S	S	*	*	S	Bend	trans	-149.4	120.9	-178.4	49.3	0	0	0	0	112.4
498	A	36.2	Very low	47.2	Very low	109 Å²	109	119 Å²	119	90%	0.901	71%	0.705	S	S	*	*			trans	34.3	129.1	152.8	0	0	0	0	0	121.5
499	G	36.1	Very low	45.5	Very low	80 Å²	80	120.6 Å²	120.6	83%	0.825	72%	0.715	S	S	*	*			trans	111.6	122	150.9	0	0	0	0	0	115.9
500	S	36.4	Very low	43.6	Very low	117 Å²	117	121.8 Å²	121.8	82%	0.818	74%	0.74	S	S	*	*			trans	-81.9	172.5	164.2	58.3	0	0	0	0	110.1
501	P	40	Very low	42.2	Very low	113 Å²	113	128 Å²	128	73%	0.734	76%	0.758	S	S	*	*			cis	-139.8	-166.8	14.1	44	-25.5	0	0	0	116.4
502	F	33	Very low	40.9	Very low	178 Å²	178	125.8 Å²	125.8	78%	0.781	77%	0.768	S	S	*	*			trans	103.4	106.8	152.6	-117.9	-93.7	0	0	0	119.1
503	D	31.2	Very low	39.7	Very low	139 Å²	139	125.8 Å²	125.8	74%	0.743	77%	0.769	S	S	*	*			trans	-64.3	145	165.5	-43.5	-104.5	0	0	0	111.5
504	N	39.4	Very low	39.2	Very low	143 Å²	143	126.6 Å²	126.6	77%	0.765	78%	0.78	S	S	*	*			trans	-178	-3.2	144.5	-105.8	-63.1	0	0	0	117.2
505	E	37	Very low	39	Very low	162 Å²	162	124.9 Å²	124.9	76%	0.757	78%	0.775	S	S	*	*	S	Bend	trans	-116	-5.8	-169.9	-129.3	172.1	163.3	0	0	117.7
506	V	43.2	Very low	39.2	Very low	133 Å²	133	126.2 Å²	126.2	81%	0.806	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-76	-30	178	-178.4	0	0	0	0	112.4	R508 L509	V506-R508 PolarHBondContact O-N 3.43Å; V506-L509 PolarHBondContact O-N 3.32Å
507	S	38.9	Very low	39.8	Very low	122 Å²	122	129.1 Å²	129.1	85%	0.853	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-66.9	3.7	-177.2	-48.2	0	0	0	0	115.4
508	R	43	Very low	40	Very low	214 Å²	214	130.2 Å²	130.2	81%	0.808	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-100.3	-7.6	-179	-110	178.6	171.5	173.5	-2	115	V506	V506-R508 PolarHBondContact O-N 3.43Å
509	L	38.8	Very low	40.5	Very low	149 Å²	149	129.9 Å²	129.9	78%	0.78	75%	0.748	S	S	*	*	S	Bend	trans	-119.2	85.4	-179.7	-62.6	177.6	0	0	0	109.8	V506 Y511	V506-L509 PolarHBondContact O-N 3.32Å; L509-Y511 PolarHBondContact O-N 3.25Å
510	G	32.7	Very low	41.2	Very low	78 Å²	78	131.4 Å²	131.4	80%	0.804	74%	0.735	S	S	*	*			trans	-71.4	79.2	-166	0	0	0	0	0	116
511	Y	41.8	Very low	41.9	Very low	232 Å²	232	129.3 Å²	129.3	91%	0.91	73%	0.725	S	S	*	*			trans	-128.4	101.3	161.9	-80.7	-81.7	0	0	0	110.1	L509	L509-Y511 PolarHBondContact O-N 3.25Å
512	G	35.1	Very low	42.1	Very low	85 Å²	85	127.7 Å²	127.7	88%	0.876	72%	0.722	S	S	*	*			trans	-102.4	120.9	175.1	0	0	0	0	0	112
513	D	42.1	Very low	42.8	Very low	139 Å²	139	125.7 Å²	125.7	74%	0.743	72%	0.718	S	S	*	*			trans	-144.1	132.5	153.8	-170.3	-2.4	0	0	0	108.4	G515	D513-G515 VanDerWaalsContact C-N 3.31Å; D513-G515 PolarHBondContact O-N 3.47Å
514	A	47.3	Very low	43.5	Very low	82 Å²	82	123.2 Å²	123.2	68%	0.678	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-22.4	-167.4	0	0	0	0	0	113.5	M516 L517	A514-M516 PolarHBondContact O-N 3.46Å; A514-M516 VanDerWaalsContact O-N 3.07Å; A514-L517 PolarHBondContact O-N 3.41Å
515	G	46.6	Very low	43.2	Very low	44 Å²	44	119.1 Å²	119.1	45%	0.454	71%	0.708	S	S	.	*	H	α-helix	trans	-63.5	-15.8	-172.9	0	0	0	0	0	115.8	D513 L519	D513-G515 VanDerWaalsContact C-N 3.31Å; D513-G515 PolarHBondContact O-N 3.47Å; G515-L519 PolarHBondContact O-N 3.25Å
516	M	48	Very low	43.2	Very low	128 Å²	128	120.3 Å²	120.3	63%	0.631	71%	0.714	S	S	*	*	H	α-helix	trans	-84.1	-27.8	-177.7	-146.8	-171.6	-57.1	0	0	114	A514 M520	A514-M516 PolarHBondContact O-N 3.46Å; A514-M516 VanDerWaalsContact O-N 3.07Å; M516-M520 HydrophobicContact CB-CE 4.48Å; M516-M520 HydrophobicContact CG-CE 4.17Å; M516-M520 WeakPolarHBondContact O-CE 3.45Å; M516-M520 PolarHBondContact O-N 2.94Å; M516-M520 VanDerWaalsContact O-N 3.17Å; M516-M520 HydrophobicContact SD-CE 4.4Å
517	L	49.7	Very low	42.8	Very low	131 Å²	131	123.5 Å²	123.5	69%	0.686	72%	0.72	S	S	*	*	H	α-helix	trans	-71.1	-40.4	174.7	-89.7	85.5	0	0	0	111.6	A514 L519 M520 A521	A514-L517 PolarHBondContact O-N 3.41Å; L517-L519 VanDerWaalsContact C-N 3.29Å; L517-L519 PolarHBondContact O-N 2.78Å; L517-M520 PolarHBondContact O-N 3.11Å; L517-M520 VanDerWaalsContact O-N 3.11Å; L517-A521 PolarHBondContact O-N 3.17Å
518	E	43.8	Very low	42.7	Very low	156 Å²	156	122.1 Å²	122.1	73%	0.729	72%	0.716	S	S	*	*	H	α-helix	trans	-64.2	-36.3	178	-165.6	171.6	-167.1	0	0	111.4	A521 A522	E518-A521 PolarHBondContact O-N 3.28Å; E518-A522 WeakPolarHBondContact O-CB 3.31Å; E518-A522 PolarHBondContact O-N 3.05Å
519	L	46.5	Very low	42.2	Very low	102 Å²	102	120.3 Å²	120.3	53%	0.534	72%	0.721	S	S	.	*	H	α-helix	trans	-66.5	-35.7	172	-174.5	62.4	0	0	0	112.9	G515 L517 L523	G515-L519 PolarHBondContact O-N 3.25Å; L517-L519 VanDerWaalsContact C-N 3.29Å; L517-L519 PolarHBondContact O-N 2.78Å; L519-L523 HydrophobicContact CD1-CD1 4.36Å; L519-L523 HydrophobicContact CG-CD1 4.2Å; L519-L523 WeakPolarHBondContact O-CD1 3.31Å; L519-L523 VanDerWaalsContact O-CG 3.29Å; L519-L523 WeakPolarHBondContact O-CG 3.41Å; L519-L523 PolarHBondContact O-N 2.83Å
520	M	50	Low	41.7	Very low	112 Å²	112	118 Å²	118	55%	0.552	72%	0.723	S	S	*	*	H	α-helix	trans	-71.4	-38	174.7	-76.2	-173.2	-92.5	0	0	112.1	M516 L517 A522 L523 A524	M516-M520 HydrophobicContact CB-CE 4.48Å; M516-M520 HydrophobicContact CG-CE 4.17Å; M516-M520 WeakPolarHBondContact O-CE 3.45Å; M516-M520 PolarHBondContact O-N 2.94Å; M516-M520 VanDerWaalsContact O-N 3.17Å; M516-M520 HydrophobicContact SD-CE 4.4Å; L517-M520 PolarHBondContact O-N 3.11Å; L517-M520 VanDerWaalsContact O-N 3.11Å; M520-A522 VanDerWaalsContact C-N 3.34Å; M520-A522 PolarHBondContact O-N 3.43Å; M520-L523 PolarHBondContact O-N 3.03Å; M520-A524 PolarHBondContact O-N 2.97Å
521	A	51.4	Low	41.6	Very low	73 Å²	73	119.2 Å²	119.2	60%	0.603	73%	0.725	S	S	*	*	H	α-helix	trans	-61.1	-41.8	171.8	0	0	0	0	0	111.9	L517 E518 L523	L517-A521 PolarHBondContact O-N 3.17Å; E518-A521 PolarHBondContact O-N 3.28Å; A521-L523 VanDerWaalsContact C-N 3.25Å; A521-L523 PolarHBondContact O-N 3.35Å
522	A	45.3	Very low	41.2	Very low	80 Å²	80	113.1 Å²	113.1	66%	0.661	72%	0.723	S	S	*	*	H	α-helix	trans	-68.3	-18	177.3	0	0	0	0	0	114.5	E518 M520	E518-A522 WeakPolarHBondContact O-CB 3.31Å; E518-A522 PolarHBondContact O-N 3.05Å; M520-A522 VanDerWaalsContact C-N 3.34Å; M520-A522 PolarHBondContact O-N 3.43Å
523	L	47.9	Very low	40.9	Very low	135 Å²	135	115.6 Å²	115.6	71%	0.707	72%	0.721	S	S	*	*	H	α-helix	trans	-100.4	-12.6	-179	-72	171.1	0	0	0	114.2	L519 M520 A521	L519-L523 HydrophobicContact CD1-CD1 4.36Å; L519-L523 HydrophobicContact CG-CD1 4.2Å; L519-L523 WeakPolarHBondContact O-CD1 3.31Å; L519-L523 VanDerWaalsContact O-CG 3.29Å; L519-L523 WeakPolarHBondContact O-CG 3.41Å; L519-L523 PolarHBondContact O-N 2.83Å; M520-L523 PolarHBondContact O-N 3.03Å; A521-L523 VanDerWaalsContact C-N 3.25Å; A521-L523 PolarHBondContact O-N 3.35Å
524	A	44	Very low	40.5	Very low	87 Å²	87	113.9 Å²	113.9	72%	0.719	72%	0.72	S	S	*	*	S	Bend	trans	-82.1	-12.3	178.3	0	0	0	0	0	114.1	M520 Q526	M520-A524 PolarHBondContact O-N 2.97Å; A524-Q526 PolarHBondContact O-N 3.19Å
525	G	34.8	Very low	40	Very low	57 Å²	57	115.6 Å²	115.6	59%	0.588	72%	0.722	S	S	*	*			trans	-97.8	51.1	-165.1	0	0	0	0	0	117.2
526	Q	36.2	Very low	39.5	Very low	188 Å²	188	121 Å²	121	88%	0.879	74%	0.741	S	S	*	*			trans	-168.6	94	167.7	-114	146.8	80.6	0	0	114.6	A524	A524-Q526 PolarHBondContact O-N 3.19Å
527	E	36	Very low	38.7	Very low	200 Å²	200	118.2 Å²	118.2	94%	0.935	75%	0.745	S	S	*	*			trans	179.2	159	132	-103.9	179.7	-161.9	0	0	113.4
528	A	35.4	Very low	37.9	Very low	92 Å²	92	119.1 Å²	119.1	76%	0.76	75%	0.748	S	S	*	*			trans	64.8	91	159.3	0	0	0	0	0	122
529	I	33.2	Very low	37.4	Very low	177 Å²	177	122.4 Å²	122.4	91%	0.908	75%	0.754	S	S	*	*			trans	-140.1	100.6	134	-54.3	-177.4	0	0	0	109.3
530	A	28.9	Very low	36.8	Very low	99 Å²	99	122 Å²	122	82%	0.818	77%	0.765	S	S	*	*			trans	176.7	84.3	158.7	0	0	0	0	0	112.9
531	A	30.1	Very low	36.6	Very low	104 Å²	104	122.4 Å²	122.4	86%	0.86	78%	0.776	S	S	*	*			trans	173.3	98.8	151.7	0	0	0	0	0	111.4
532	A	32.1	Very low	35.6	Very low	105 Å²	105	125.8 Å²	125.8	87%	0.868	78%	0.784	S	S	*	*			trans	-151.4	68.6	171.5	0	0	0	0	0	110.9
533	T	29.4	Very low	35.2	Very low	136 Å²	136	129.4 Å²	129.4	83%	0.834	79%	0.792	S	S	*	*			trans	-86.7	112.3	-178.2	-34.6	0	0	0	0	110.9
534	S	34.5	Very low	34.7	Very low	103 Å²	103	127 Å²	127	72%	0.72	79%	0.791	S	S	*	*			trans	-172.5	136.8	149.2	-89.8	0	0	0	0	115.2
535	T	36.1	Very low	34.8	Very low	118 Å²	118	128.7 Å²	128.7	72%	0.724	80%	0.795	S	S	*	*			trans	62.5	126.7	147.3	55.5	0	0	0	0	121.7
536	N	36	Very low	35.1	Very low	157 Å²	157	130.2 Å²	130.2	84%	0.84	80%	0.802	S	S	*	*			trans	79.6	94.4	144.9	-56	-3.3	0	0	0	119.6
537	G	32.2	Very low	35.1	Very low	71 Å²	71	127.8 Å²	127.8	73%	0.732	80%	0.8	S	S	*	*				120.2	110	88.9	0	0	0	0	0	119.9
538	M	33.1	Very low	35.3	Very low	149 Å²	149	122.8 Å²	122.8	73%	0.734	79%	0.787	S	S	*	*			trans	87	130	137.2	-113.6	75.4	104.2	0	0	123.7
539	W	32.6	Very low	35.8	Very low	225 Å²	225	124.3 Å²	124.3	85%	0.852	79%	0.787	S	S	*	*			trans	57.8	99.2	150.1	-59.6	-41.4	0	0	0	123.6
540	A	33.9	Very low	36.5	Very low	94 Å²	94	120.8 Å²	120.8	78%	0.777	78%	0.776	S	S	*	*				73.1	153.7	105	0	0	0	0	0	121.9
541	P	45.3	Very low	37.2	Very low	120 Å²	120	123.5 Å²	123.5	78%	0.779	78%	0.776	S	S	*	*			trans	-112.3	-179.4	-168.6	43.8	-34.6	0	0	0	114.3
542	D	30.8	Very low	37.9	Very low	145 Å²	145	123.8 Å²	123.8	78%	0.775	77%	0.769	S	S	*	*				-173.1	171.2	122.6	-135.7	-30.6	0	0	0	115.8
543	L	37.9	Very low	38.1	Very low	156 Å²	156	126.5 Å²	126.5	82%	0.817	77%	0.768	S	S	*	*			trans	79.8	136.6	150.3	-70.6	159.2	0	0	0	123.6
544	A	37.2	Very low	38.9	Very low	85 Å²	85	125.6 Å²	125.6	70%	0.702	76%	0.764	S	S	*	*			trans	-120.7	-173.3	164.6	0	0	0	0	0	109.5
545	P	46.2	Very low	39.2	Very low	122 Å²	122	125.6 Å²	125.6	79%	0.792	77%	0.771	S	S	*	*				-163.4	-174.4	82.5	43.6	-22	0	0	0	118.4
546	A	39.7	Very low	39.4	Very low	88 Å²	88	123.7 Å²	123.7	73%	0.727	77%	0.774	S	S	*	*			trans	66.3	143.5	154.6	0	0	0	0	0	119
547	T	37	Very low	39.7	Very low	137 Å²	137	120.7 Å²	120.7	84%	0.84	77%	0.771	S	S	*	*			cis	-164.4	176	-1.4	4	0	0	0	0	106.8
548	S	40.6	Very low	40.1	Very low	95 Å²	95	124.7 Å²	124.7	66%	0.664	78%	0.776	S	S	*	*			cis	-158.4	-164.2	-4.5	54.4	0	0	0	0	106.1
549	T	44.3	Very low	40.3	Very low	124 Å²	124	125.8 Å²	125.8	76%	0.761	78%	0.779	S	S	*	*			cis	-156.6	166	-1	-2.1	0	0	0	0	106.8
550	P	48.3	Very low	40.6	Very low	104 Å²	104	120.2 Å²	120.2	68%	0.675	78%	0.775	S	S	*	*			trans	-137.3	-165.9	-139.1	34.5	-11.3	0	0	0	119.1
551	L	43	Very low	40.7	Very low	155 Å²	155	122.7 Å²	122.7	81%	0.812	77%	0.774	S	S	*	*			trans	99.3	154.7	154.9	-54.3	-176.3	0	0	0	119.2
552	P	45.5	Very low	40.1	Very low	110 Å²	110	123.6 Å²	123.6	71%	0.714	77%	0.772	S	S	*	*			cis	-140.8	156.9	-36	37.1	-19.6	0	0	0	117.8
553	L	36.1	Very low	40.4	Very low	163 Å²	163	120.7 Å²	120.7	85%	0.853	76%	0.763	S	S	*	*			trans	6.3	166.3	135	-71.3	169.3	0	0	0	122.2
554	P	47.1	Very low	40.4	Very low	117 Å²	117	120.8 Å²	120.8	76%	0.76	76%	0.759	S	S	*	*			cis	-150.2	168.2	29.3	44.6	-24.2	0	0	0	122
555	A	40.4	Very low	40.2	Very low	103 Å²	103	121.7 Å²	121.7	85%	0.851	76%	0.76	S	S	*	*			trans	61.5	137.6	139.3	0	0	0	0	0	124.3
556	G	40.3	Very low	40	Very low	78 Å²	78	120.8 Å²	120.8	80%	0.804	75%	0.754	S	S	*	*			trans	170.6	116.3	165.4	0	0	0	0	0	113.4
557	A	43.2	Very low	39.6	Very low	93 Å²	93	124.6 Å²	124.6	77%	0.769	76%	0.757	S	S	*	*			trans	-67.7	171.1	-178	0	0	0	0	0	113.9
558	D	40.5	Very low	39.4	Very low	155 Å²	155	122.5 Å²	122.5	83%	0.829	75%	0.753	S	S	*	*			cis	-152.8	171.7	19	-136.5	-33.1	0	0	0	114.1
559	Q	35.7	Very low	38.9	Very low	172 Å²	172	122.8 Å²	122.8	80%	0.804	76%	0.755	S	S	*	*			trans	-98.3	161.3	174.9	-55.4	176.9	18.6	0	0	112.1
560	S	38.9	Very low	38.3	Very low	109 Å²	109	122 Å²	122	76%	0.762	76%	0.755	S	S	*	*				176.8	149.1	127.1	-88.5	0	0	0	0	116.3
561	L	36.7	Very low	37.6	Very low	145 Å²	145	124.2 Å²	124.2	76%	0.759	76%	0.756	S	S	*	*			trans	67.8	111.6	159.8	-61.7	155.5	0	0	0	117
562	L	33.8	Very low	37.1	Very low	140 Å²	140	123 Å²	123	73%	0.733	75%	0.75	S	S	*	*				71.6	138.1	65	-80.8	77.3	0	0	0	112.6
563	S	36.5	Very low	36.3	Very low	84 Å²	84	123.9 Å²	123.9	59%	0.587	75%	0.748	S	S	*	*			cis	-145.2	141.7	22.3	-89.7	0	0	0	0	113.9
564	Q	38.4	Very low	36.2	Very low	158 Å²	158	122.6 Å²	122.6	74%	0.738	74%	0.741	S	S	*	*				47.2	150.9	118.5	-52.3	172.4	73.3	0	0	121.6
565	S	31.6	Very low	35.6	Very low	103 Å²	103	124 Å²	124	72%	0.72	74%	0.742	S	S	*	*			cis	-167.8	165.7	-21.7	-96	0	0	0	0	109.6
566	P	42.3	Very low	35.4	Very low	103 Å²	103	121.6 Å²	121.6	67%	0.669	73%	0.728	S	S	*	*			trans	-124.6	-150.3	-171.4	31.4	-7.6	0	0	0	112.9
567	E	30.9	Very low	35.1	Very low	168 Å²	168	124.8 Å²	124.8	79%	0.785	73%	0.726	S	S	*	*			trans	79.3	163.8	161.8	-50.4	-52.3	89.7	0	0	121
568	A	33.5	Very low	34.6	Very low	93 Å²	93	126.6 Å²	126.6	77%	0.769	72%	0.723	S	S	*	*			trans	82.6	141	166.3	0	0	0	0	0	119
569	S	31.1	Very low	34.4	Very low	101 Å²	101	125.8 Å²	125.8	71%	0.706	72%	0.724	S	S	*	*			cis	169.3	140.3	-42.7	-97.5	0	0	0	0	108
570	S	31.5	Very low	34.3	Very low	107 Å²	107	122.7 Å²	122.7	75%	0.748	72%	0.721	S	S	*	*			trans	65.7	159.6	157.3	-53.7	0	0	0	0	115.3
571	E	31.9	Very low	34.2	Very low	152 Å²	152	124.8 Å²	124.8	71%	0.71	73%	0.729	S	S	*	*			cis	-160.6	177.2	-11.3	-130.1	-175.8	130.2	0	0	112.1
572	L	32.5	Very low	34	Very low	128 Å²	128	121.3 Å²	121.3	67%	0.67	73%	0.729	S	S	*	*			trans	68.3	120.4	147	-68.8	162.4	0	0	0	121.7
573	L	30.1	Very low	33.9	Very low	129 Å²	129	119 Å²	119	68%	0.675	73%	0.729	S	S	*	*				90.3	129.4	123.1	-74.9	176.1	0	0	0	123.9
574	L	32.6	Very low	33.6	Very low	137 Å²	137	126.1 Å²	126.1	72%	0.717	75%	0.745	S	S	*	*			trans	67.3	146	146.3	-55.7	162.8	0	0	0	116.7
575	N	34.4	Very low	33.5	Very low	145 Å²	145	124.4 Å²	124.4	78%	0.775	75%	0.748	S	S	*	*			cis	-153.6	169	-7.6	-95.5	-25.2	0	0	0	106.6
576	G	36.9	Very low	33.4	Very low	54 Å²	54	124.9 Å²	124.9	56%	0.557	75%	0.751	S	S	*	*			cis	148.6	143.1	-0.2	0	0	0	0	0	110.5
577	N	33.6	Very low	32.9	Very low	144 Å²	144	125.4 Å²	125.4	77%	0.77	76%	0.757	S	S	*	*			trans	64.7	152.7	166.1	-61	61.2	0	0	0	116.7
578	D	33.3	Very low	33	Very low	132 Å²	132	122.4 Å²	122.4	71%	0.706	76%	0.761	S	S	*	*			cis	-153.8	-177.9	-19.7	-93.6	-29.9	0	0	0	106.1
579	T	37.3	Very low	33.3	Very low	137 Å²	137	124.4 Å²	124.4	84%	0.84	76%	0.763	S	S	*	*			cis	-148.7	167.4	16.9	-36.3	0	0	0	0	109.6
580	S	32.4	Very low	33.3	Very low	107 Å²	107	126.4 Å²	126.4	75%	0.748	77%	0.766	S	S	*	*			trans	-108.2	139.1	-176.4	55.6	0	0	0	0	115.6
581	V	37.4	Very low	33.4	Very low	153 Å²	153	127.8 Å²	127.8	93%	0.927	77%	0.765	S	S	*	*			trans	-151.1	136.6	159.2	-173.8	0	0	0	0	111.1
582	G	32.1	Very low	33.8	Very low	73 Å²	73	124.3 Å²	124.3	75%	0.753	76%	0.758	S	S	*	*			trans	84.4	97.9	143.9	0	0	0	0	0	119.3
583	A	32	Very low	34.1	Very low	90 Å²	90	121.6 Å²	121.6	74%	0.744	75%	0.75	S	S	*	*			trans	-71.8	152.5	173.1	0	0	0	0	0	114.9
584	Y	30.3	Very low	34.2	Very low	235 Å²	235	124 Å²	124	92%	0.922	75%	0.75	S	S	*	*			trans	-151.8	153.7	142.4	-80.1	-60.9	0	0	0	111.1
585	P	35.7	Very low	34.3	Very low	121 Å²	121	121.1 Å²	121.1	79%	0.786	74%	0.741	S	S	*	*			trans	-104.3	173.5	-161.8	40.1	-37.5	0	0	0	116.8
586	S	29.1	Very low	34.4	Very low	114 Å²	114	117.2 Å²	117.2	80%	0.797	73%	0.725	S	S	*	*			trans	-54.7	140	-178.8	-47.4	0	0	0	0	116.7
587	S	32.4	Very low	34.4	Very low	113 Å²	113	123.4 Å²	123.4	79%	0.79	73%	0.732	S	S	*	*				178.6	113	117	41.5	0	0	0	0	113.3
588	A	32.6	Very low	34.8	Very low	105 Å²	105	125.5 Å²	125.5	87%	0.868	73%	0.729	S	S	*	*			trans	-115.2	102.1	165.5	0	0	0	0	0	108.7
589	V	39.3	Very low	35.4	Very low	135 Å²	135	125 Å²	125	82%	0.818	72%	0.717	S	S	*	*			trans	-96.2	117	-179.6	-79.9	0	0	0	0	111.4
590	D	32	Very low	35.9	Very low	144 Å²	144	125.5 Å²	125.5	77%	0.77	71%	0.708	S	S	*	*			trans	-64	133.6	-175	-91.9	-51.8	0	0	0	114.4	S592	D590-S592 PolarHBondContact O-N 3.49Å
591	N	34.4	Very low	36.4	Very low	135 Å²	135	126.1 Å²	126.1	72%	0.722	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	12.5	178	-100.7	-54.2	0	0	0	114.5	S593	N591-S593 VanDerWaalsContact C-N 3.34Å; N591-S593 PolarHBondContact O-N 2.91Å
592	S	40.4	Very low	37.1	Very low	79 Å²	79	125.5 Å²	125.5	55%	0.552	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-25.1	-174.6	60.3	0	0	0	0	114.1	D590 W594 S595	D590-S592 PolarHBondContact O-N 3.49Å; S592-W594 PolarHBondContact O-N 2.87Å; S592-S595 PolarHBondContact O-N 3.34Å
593	S	38.2	Very low	38.2	Very low	72 Å²	72	124.3 Å²	124.3	50%	0.503	67%	0.671	S	S	.	*	H	α-helix	trans	-61.4	-37.7	-171	-173.7	0	0	0	0	115.1	N591 S595 S596 R597	N591-S593 VanDerWaalsContact C-N 3.34Å; N591-S593 PolarHBondContact O-N 2.91Å; S593-S595 VanDerWaalsContact C-N 3.33Å; S593-S595 PolarHBondContact O-N 3.26Å; S593-S596 PolarHBondContact O-N 3.43Å; S593-S596 VanDerWaalsContact O-N 3.16Å; S593-R597 PolarHBondContact O-N 2.81Å; S593-R597 VanDerWaalsContact O-N 3.12Å
594	W	31.1	Very low	39.1	Very low	178 Å²	178	125.4 Å²	125.4	67%	0.674	66%	0.659	S	S	*	*	H	α-helix	trans	-63.8	-36.8	-177.6	-104.2	-40.3	0	0	0	113	S592 S596 R598	S592-W594 PolarHBondContact O-N 2.87Å; W594-S596 VanDerWaalsContact C-N 3.31Å; W594-S596 PolarHBondContact O-N 2.76Å; W594-R598 PolarHBondContact O-N 3.41Å; W594-R598 VanDerWaalsContact O-N 3.12Å
595	S	35.2	Very low	40.3	Very low	77 Å²	77	121 Å²	121	54%	0.538	65%	0.645	S	S	.	*	H	α-helix	trans	-65.3	-35.3	176.7	-71.9	0	0	0	0	111.9	S592 S593 R599	S592-S595 PolarHBondContact O-N 3.34Å; S593-S595 VanDerWaalsContact C-N 3.33Å; S593-S595 PolarHBondContact O-N 3.26Å; S595-R599 WeakPolarHBondContact O-CB 3.45Å; S595-R599 PolarHBondContact O-N 2.86Å; S595-R599 VanDerWaalsContact O-N 3.1Å
596	S	37.3	Very low	41.7	Very low	64 Å²	64	116.4 Å²	116.4	45%	0.448	61%	0.613	S	S	.	*	H	α-helix	trans	-72.3	-42.7	177.7	-65.2	0	0	0	0	112.5	S593 W594 R598 R599 K600	S593-S596 PolarHBondContact O-N 3.43Å; S593-S596 VanDerWaalsContact O-N 3.16Å; W594-S596 VanDerWaalsContact C-N 3.31Å; W594-S596 PolarHBondContact O-N 2.76Å; S596-R598 PolarHBondContact O-N 3.24Å; S596-R599 WeakPolarHBondContact O-CA 3.47Å; S596-R599 VanDerWaalsContact O-CB 3.29Å; S596-R599 WeakPolarHBondContact O-CB 3.2Å; S596-R599 PolarHBondContact O-N 3.49Å; S596-K600 PolarHBondContact O-N 2.8Å
597	R	37.2	Very low	43.4	Very low	183 Å²	183	114.9 Å²	114.9	69%	0.691	60%	0.596	S	S	*	*	H	α-helix	trans	-60.1	-43.7	172.5	-72.4	-169.3	178.9	-159.2	-0.3	111.8	S593 R599 K600 N601	S593-R597 PolarHBondContact O-N 2.81Å; S593-R597 VanDerWaalsContact O-N 3.12Å; R597-R599 PolarHBondContact O-N 3.41Å; R597-K600 PolarHBondContact O-N 2.94Å; R597-N601 PolarHBondContact O-N 3.48Å; R597-N601 PolarHBondContact O-OD1 3.1Å
598	R	41.9	Very low	45	Very low	189 Å²	189	113.9 Å²	113.9	71%	0.713	58%	0.581	S	S	*	*	H	α-helix	trans	-70	-12.8	176.1	-155.7	-177.5	-70.8	-153.7	1.3	113.3	W594 S596 K602	W594-R598 PolarHBondContact O-N 3.41Å; W594-R598 VanDerWaalsContact O-N 3.12Å; S596-R598 PolarHBondContact O-N 3.24Å; R598-K602 WeakPolarHBondContact O-CD 3.5Å; R598-K602 WeakPolarHBondContact O-CG 3.47Å
599	R	44.9	Very low	46.5	Very low	122 Å²	122	111 Å²	111	46%	0.46	55%	0.551	S	S	.	*	H	α-helix	trans	-82.8	-50.8	170.6	-124	-176.8	-85.4	-144.6	-10.4	111.6	D230 S595 S596 R597 N601 K602 A603	D230-R599 IonicContact OD1-CZ 3.17Å; D230-R599 IonicContact OD1-NH1 3.88Å; D230-R599 PolarHBondContact OD1-NH1 2.97Å; D230-R599 IonicContact OD1-NH2 2.69Å; D230-R599 PolarHBondContact OD1-NH2 2.86Å; D230-R599 IonicContact OD2-NH2 2.68Å; S595-R599 WeakPolarHBondContact O-CB 3.45Å; S595-R599 PolarHBondContact O-N 2.86Å; S595-R599 VanDerWaalsContact O-N 3.1Å; S596-R599 WeakPolarHBondContact O-CA 3.47Å; S596-R599 VanDerWaalsContact O-CB 3.29Å; S596-R599 WeakPolarHBondContact O-CB 3.2Å; S596-R599 PolarHBondContact O-N 3.49Å; R597-R599 PolarHBondContact O-N 3.41Å; R599-N601 PolarHBondContact O-N 3.31Å; R599-K602 WeakPolarHBondContact O-CB 3.49Å; R599-K602 PolarHBondContact O-N 2.98Å; R599-A603 PolarHBondContact O-N 3.43Å
600	K	48.4	Very low	47.7	Very low	146 Å²	146	105.1 Å²	105.1	64%	0.635	52%	0.516	S	S	*	.	H	α-helix	trans	-53.5	-49	179.5	-70.3	-169.4	174.7	-168.2	0	111.9	S596 R597 K602 A603 F604	S596-K600 PolarHBondContact O-N 2.8Å; R597-K600 PolarHBondContact O-N 2.94Å; K600-K602 PolarHBondContact O-N 3.46Å; K600-A603 WeakPolarHBondContact O-CB 3.42Å; K600-A603 PolarHBondContact O-N 3.31Å; K600-F604 WeakPolarHBondContact O-CD2 3.5Å; K600-F604 PolarHBondContact O-N 2.93Å
601	N	42.9	Very low	49.4	Very low	120 Å²	120	102.5 Å²	102.5	64%	0.642	50%	0.502	S	S	*	.	H	α-helix	trans	-64.8	-12.8	178.9	-65	31.2	0	0	0	114.4	R597 R599	R597-N601 PolarHBondContact O-N 3.48Å; R597-N601 PolarHBondContact O-OD1 3.1Å; R599-N601 PolarHBondContact O-N 3.31Å
602	K	52.6	Low	50.7	Low	140 Å²	140	100.6 Å²	100.6	61%	0.609	49%	0.485	S	S	*	.	H	α-helix	trans	-90.3	-32.6	172.7	-70.3	175.3	-179	176.1	0	112.7	R598 R599 K600 K605 L606	R598-K602 WeakPolarHBondContact O-CD 3.5Å; R598-K602 WeakPolarHBondContact O-CG 3.47Å; R599-K602 WeakPolarHBondContact O-CB 3.49Å; R599-K602 PolarHBondContact O-N 2.98Å; K600-K602 PolarHBondContact O-N 3.46Å; K602-K605 PolarHBondContact O-N 3.38Å; K602-L606 PolarHBondContact O-N 2.92Å
603	A	54.8	Low	51.7	Low	49 Å²	49	98.2 Å²	98.2	41%	0.405	47%	0.466	S	S	.	.	H	α-helix	trans	-62.4	-54.3	172.2	0	0	0	0	0	110.2	R599 K600 K605 L606 D607	R599-A603 PolarHBondContact O-N 3.43Å; K600-A603 WeakPolarHBondContact O-CB 3.42Å; K600-A603 PolarHBondContact O-N 3.31Å; A603-K605 PolarHBondContact O-N 3.37Å; A603-L606 WeakPolarHBondContact O-CA 3.35Å; A603-L606 WeakPolarHBondContact O-CB 3.44Å; A603-L606 PolarHBondContact O-N 3.38Å; A603-D607 PolarHBondContact O-N 3.48Å
604	F	49.6	Very low	52.7	Low	113 Å²	113	99.3 Å²	99.3	50%	0.496	46%	0.463	S	S	.	.	H	α-helix	trans	-48.8	-32.7	173.8	-82.4	-71.9	0	0	0	114	K600 L608	K600-F604 WeakPolarHBondContact O-CD2 3.5Å; K600-F604 PolarHBondContact O-N 2.93Å; F604-L608 WeakPolarHBondContact O-CB 3.48Å; F604-L608 PolarHBondContact O-N 2.84Å
605	K	56.8	Low	53.5	Low	142 Å²	142	93.1 Å²	93.1	62%	0.617	45%	0.454	S	S	*	.	H	α-helix	trans	-84.1	-6.3	178.6	-164.4	161.3	-173.6	167.4	0	114.4	K602 A603 I609	K602-K605 PolarHBondContact O-N 3.38Å; A603-K605 PolarHBondContact O-N 3.37Å; K605-I609 WeakPolarHBondContact O-CD1 3.45Å; K605-I609 WeakPolarHBondContact O-CG1 3.3Å
606	L	65.1	Low	54.2	Low	24 Å²	24	95 Å²	95	13%	0.126	45%	0.45	C	S	.	.	H	α-helix	trans	-93.7	-41.9	163.4	-76.9	168.1	0	0	0	110.5	L233 K245 L248 K602 A603 L608 I609 A610	L233-L606 HydrophobicContact CD2-CD1 4.14Å; K245-L606 HydrophobicContact CG-CD2 3.97Å; L248-L606 HydrophobicContact CD2-CD1 4.21Å; L248-L606 HydrophobicContact CD2-CD2 4.27Å; K602-L606 PolarHBondContact O-N 2.92Å; A603-L606 WeakPolarHBondContact O-CA 3.35Å; A603-L606 WeakPolarHBondContact O-CB 3.44Å; A603-L606 PolarHBondContact O-N 3.38Å; L606-L608 PolarHBondContact O-N 3.3Å; L606-I609 CarbonylContact O-C 3.54Å; L606-I609 WeakPolarHBondContact O-CA 3.46Å; L606-I609 WeakPolarHBondContact O-CB 3.3Å; L606-I609 PolarHBondContact O-N 2.79Å; L606-A610 PolarHBondContact O-N 3.34Å
607	D	63.5	Low	54.4	Low	83 Å²	83	100.5 Å²	100.5	44%	0.444	46%	0.461	S	S	.	.	H	α-helix	trans	-65.4	-41.6	179.3	-53.8	-42.3	0	0	0	111.2	A603 I609 A610 L611	A603-D607 PolarHBondContact O-N 3.48Å; D607-I609 PolarHBondContact O-N 2.85Å; D607-I609 VanDerWaalsContact O-N 3.17Å; D607-A610 WeakPolarHBondContact O-CB 3.48Å; D607-A610 PolarHBondContact O-N 3.1Å; D607-L611 WeakPolarHBondContact O-CB 3.27Å; D607-L611 WeakPolarHBondContact O-CG 3.29Å; D607-L611 PolarHBondContact O-N 3.35Å
608	L	67.1	Low	54.7	Low	91 Å²	91	96.2 Å²	96.2	48%	0.476	46%	0.456	S	S	.	.	H	α-helix	trans	-60	-25.2	170.3	-175.5	63.1	0	0	0	113.1	F604 L606 R612	F604-L608 WeakPolarHBondContact O-CB 3.48Å; F604-L608 PolarHBondContact O-N 2.84Å; L606-L608 PolarHBondContact O-N 3.3Å; L608-R612 WeakPolarHBondContact O-CB 3.29Å; L608-R612 PolarHBondContact O-N 3.38Å
609	I	63.4	Low	54.6	Low	44 Å²	44	93.3 Å²	93.3	23%	0.226	45%	0.454	C	S	.	.	H	α-helix	trans	-80.8	-36.8	173	-66.7	173.2	0	0	0	110.8	K245 K605 L606 D607 L613	K245-I609 VanDerWaalsContact NZ-CD1 3.35Å; K605-I609 WeakPolarHBondContact O-CD1 3.45Å; K605-I609 WeakPolarHBondContact O-CG1 3.3Å; L606-I609 CarbonylContact O-C 3.54Å; L606-I609 WeakPolarHBondContact O-CA 3.46Å; L606-I609 WeakPolarHBondContact O-CB 3.3Å; L606-I609 PolarHBondContact O-N 2.79Å; D607-I609 PolarHBondContact O-N 2.85Å; D607-I609 VanDerWaalsContact O-N 3.17Å; I609-L613 HydrophobicContact CG2-CD1 4.06Å; I609-L613 WeakPolarHBondContact O-CD1 3.42Å; I609-L613 VanDerWaalsContact O-CG 3.24Å; I609-L613 WeakPolarHBondContact O-CG 3.33Å; I609-L613 PolarHBondContact O-N 2.93Å; I609-L613 VanDerWaalsContact O-N 3.13Å
610	A	65.9	Low	54.3	Low	12 Å²	12	92.7 Å²	92.7	10%	0.099	47%	0.469	C	S	.	.	H	α-helix	trans	-64.8	-49.1	174	0	0	0	0	0	111.5	L606 D607 R612 L613 Q614	L606-A610 PolarHBondContact O-N 3.34Å; D607-A610 WeakPolarHBondContact O-CB 3.48Å; D607-A610 PolarHBondContact O-N 3.1Å; A610-R612 PolarHBondContact O-N 3.18Å; A610-L613 CarbonylContact O-C 3.56Å; A610-L613 WeakPolarHBondContact O-CA 3.11Å; A610-L613 WeakPolarHBondContact O-CB 3.46Å; A610-L613 PolarHBondContact O-N 2.68Å; A610-Q614 PolarHBondContact O-N 2.98Å; A610-Q614 PolarHBondContact O-OE1 3.16Å
611	L	66.2	Low	53.7	Low	89 Å²	89	92 Å²	92	47%	0.466	48%	0.476	S	S	.	.	H	α-helix	trans	-58	-44.6	175.4	-68.9	167.3	0	0	0	111.7	D607 L613 Q614 G615	D607-L611 WeakPolarHBondContact O-CB 3.27Å; D607-L611 WeakPolarHBondContact O-CG 3.29Å; D607-L611 PolarHBondContact O-N 3.35Å; L611-L613 PolarHBondContact O-N 2.99Å; L611-Q614 WeakPolarHBondContact O-CB 3.46Å; L611-Q614 PolarHBondContact O-N 3.39Å; L611-Q614 VanDerWaalsContact O-N 3.08Å; L611-G615 PolarHBondContact O-N 3.46Å
612	R	61.3	Low	53.1	Low	95 Å²	95	90.1 Å²	90.1	36%	0.358	49%	0.486	S	S	.	.	H	α-helix	trans	-64.6	-20.6	174.8	-172.5	-163.9	-163.7	85.8	-6.8	113.8	W464 C465 L608 A610	W464-R612 VanDerWaalsContact C-NH2 3.35Å; W464-R612 PolarHBondContact O-NH1 3.43Å; W464-R612 PolarHBondContact O-NH2 3.12Å; W464-R612 VanDerWaalsContact O-NH2 3.08Å; C465-R612 VanDerWaalsContact CA-NH2 3.31Å; L608-R612 WeakPolarHBondContact O-CB 3.29Å; L608-R612 PolarHBondContact O-N 3.38Å; A610-R612 PolarHBondContact O-N 3.18Å
613	L	62.2	Low	52.1	Low	30 Å²	30	89.5 Å²	89.5	16%	0.157	50%	0.499	C	S	.	.	H	α-helix	trans	-90.5	-23	173	-71	167	0	0	0	112.3	R253 F256 I609 A610 L611	R253-L613 HydrophobicContact CG-CD1 4.31Å; R253-L613 HydrophobicContact CG-CD2 4.43Å; F256-L613 HydrophobicContact CB-CB 4.44Å; F256-L613 HydrophobicContact CD1-CB 4.42Å; F256-L613 HydrophobicContact CD2-CB 3.49Å; F256-L613 VanDerWaalsContact CD2-CB 3.49Å; F256-L613 HydrophobicContact CD2-CD1 3.83Å; F256-L613 HydrophobicContact CD2-CG 4.23Å; F256-L613 HydrophobicContact CE2-CB 3.74Å; F256-L613 HydrophobicContact CE2-CD1 4.11Å; F256-L613 HydrophobicContact CG-CB 3.87Å; F256-L613 HydrophobicContact CZ-CB 4.31Å; I609-L613 HydrophobicContact CG2-CD1 4.06Å; I609-L613 WeakPolarHBondContact O-CD1 3.42Å; I609-L613 VanDerWaalsContact O-CG 3.24Å; I609-L613 WeakPolarHBondContact O-CG 3.33Å; I609-L613 PolarHBondContact O-N 2.93Å; I609-L613 VanDerWaalsContact O-N 3.13Å; A610-L613 CarbonylContact O-C 3.56Å; A610-L613 WeakPolarHBondContact O-CA 3.11Å; A610-L613 WeakPolarHBondContact O-CB 3.46Å; A610-L613 PolarHBondContact O-N 2.68Å; L611-L613 PolarHBondContact O-N 2.99Å
614	Q	58.6	Low	50.7	Low	95 Å²	95	92.5 Å²	92.5	44%	0.444	52%	0.516	S	S	.	.	H	α-helix	trans	-74.6	-53.4	170.5	-72	164.4	-78.5	0	0	111.2	F256 A610 L611 R616 Y617	F256-Q614 HydrophobicContact CD1-CG 4.4Å; F256-Q614 HydrophobicContact CE1-CG 3.42Å; F256-Q614 VanDerWaalsContact CE1-CG 3.42Å; F256-Q614 HydrophobicContact CZ-CG 3.81Å; A610-Q614 PolarHBondContact O-N 2.98Å; A610-Q614 PolarHBondContact O-OE1 3.16Å; L611-Q614 WeakPolarHBondContact O-CB 3.46Å; L611-Q614 PolarHBondContact O-N 3.39Å; L611-Q614 VanDerWaalsContact O-N 3.08Å; Q614-R616 PolarHBondContact O-N 2.86Å; Q614-Y617 PolarHBondContact O-N 3.24Å; Q614-Y617 VanDerWaalsContact O-N 3.08Å
615	G	49.4	Very low	50	Low	47 Å²	47	92.5 Å²	92.5	49%	0.485	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	23.4	-178.2	0	0	0	0	0	116	L611	L611-G615 PolarHBondContact O-N 3.46Å
616	R	49.7	Very low	49	Very low	118 Å²	118	91.6 Å²	91.6	45%	0.445	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	6	166.8	-69.6	-172.3	-173.2	-156	-1.7	112.7	D466 Q614	D466-R616 IonicContact OD2-CZ 3.87Å; D466-R616 IonicContact OD2-NH1 3.92Å; D466-R616 PolarHBondContact OD2-NH1 3.24Å; D466-R616 IonicContact OD2-NH2 3.48Å; D466-R616 PolarHBondContact OD2-NH2 2.81Å; Q614-R616 PolarHBondContact O-N 2.86Å
617	Y	40.3	Very low	47.6	Very low	178 Å²	178	93.7 Å²	93.7	70%	0.698	57%	0.569	S	S	*	*	S	Bend	trans	-108.4	-9	-177.3	-142.7	-93	0	0	0	113.1	Q614	Q614-Y617 PolarHBondContact O-N 3.24Å; Q614-Y617 VanDerWaalsContact O-N 3.08Å
618	T	44.2	Very low	46	Very low	93 Å²	93	98.8 Å²	98.8	57%	0.571	59%	0.59	S	S	*	*	S	Bend	trans	-79.7	-31.3	177.4	42.1	0	0	0	0	113	S620	T618-S620 VanDerWaalsContact C-N 3.3Å; T618-S620 PolarHBondContact O-N 2.88Å; T618-S620 VanDerWaalsContact O-N 3.14Å
619	D	39.8	Very low	44.5	Very low	128 Å²	128	99.6 Å²	99.6	68%	0.684	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	34.1	-162.7	-49.4	-5.2	0	0	0	112.7
620	S	38.4	Very low	43.4	Very low	109 Å²	109	104.8 Å²	104.8	76%	0.762	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.7	22.7	-175.8	-69.4	0	0	0	0	115.1	T618	T618-S620 VanDerWaalsContact C-N 3.3Å; T618-S620 PolarHBondContact O-N 2.88Å; T618-S620 VanDerWaalsContact O-N 3.14Å
621	V	36.2	Very low	41.7	Very low	131 Å²	131	110.6 Å²	110.6	79%	0.794	66%	0.664	S	S	*	*	S	Bend	trans	-139.9	119.9	170	-80.8	0	0	0	0	110.4
622	G	31.2	Very low	40.3	Very low	81 Å²	81	115.6 Å²	115.6	84%	0.835	68%	0.683	S	S	*	*			trans	115.4	85.3	171	0	0	0	0	0	115.8
623	S	31.3	Very low	39	Very low	128 Å²	128	115.5 Å²	115.5	90%	0.895	69%	0.693	S	S	*	*			trans	-155	108.1	147.2	-163.9	0	0	0	0	109
624	C	24.4	Very low	37.8	Very low	111 Å²	111	121.9 Å²	121.9	75%	0.75	72%	0.722	S	S	*	*			trans	-156.7	158.1	175.9	54.6	0	0	0	0	110
625	S	36.1	Very low	36.7	Very low	113 Å²	113	126.1 Å²	126.1	79%	0.79	74%	0.742	S	S	*	*			trans	77.3	142.2	-174.4	-39.7	0	0	0	0	113.6
626	S	34.8	Very low	36	Very low	123 Å²	123	127.9 Å²	127.9	86%	0.86	75%	0.751	S	S	*	*			cis	-174.7	162.2	-9.2	40.3	0	0	0	0	109.6
627	G	35.2	Very low	35.3	Very low	69 Å²	69	128.8 Å²	128.8	71%	0.711	77%	0.77	S	S	*	*			trans	124.3	94.8	178.1	0	0	0	0	0	110.6
628	E	30.7	Very low	35.1	Very low	189 Å²	189	124.1 Å²	124.1	88%	0.883	77%	0.768	S	S	*	*				97.7	127.8	64	-80	-76.5	80.6	0	0	110.7
629	P	35.9	Very low	34.6	Very low	109 Å²	109	127.2 Å²	127.2	71%	0.708	78%	0.776	S	S	*	*			trans	-102.9	161.4	-166.3	39.5	-35.8	0	0	0	114.6
630	T	38.9	Very low	34.5	Very low	152 Å²	152	125 Å²	125	93%	0.933	77%	0.771	S	S	*	*			trans	-141.3	157.7	158.1	28.4	0	0	0	0	110.8
631	D	32.1	Very low	34.4	Very low	135 Å²	135	126 Å²	126	72%	0.722	77%	0.773	S	S	*	*			trans	-95.3	161	-172.4	-172.6	13.1	0	0	0	112
632	F	35.1	Very low	34.2	Very low	194 Å²	194	131.2 Å²	131.2	85%	0.851	78%	0.778	S	S	*	*			trans	170.4	101.9	145.4	-95.6	-62.7	0	0	0	113.1
633	T	35.4	Very low	34.2	Very low	93 Å²	93	137 Å²	137	57%	0.571	78%	0.775	S	S	*	*			trans	8.1	155.1	148.1	53.2	0	0	0	0	125.6
634	E	36.8	Very low	34.4	Very low	163 Å²	163	136.5 Å²	136.5	76%	0.762	77%	0.768	S	S	*	*			trans	76.1	112.2	149.5	-76.4	159.5	158.4	0	0	118.7
635	E	34.3	Very low	34.8	Very low	185 Å²	185	135 Å²	135	86%	0.864	76%	0.759	S	S	*	*				83.5	135.5	89.9	-81.1	-147.1	142	0	0	113.7
636	A	34.9	Very low	34.7	Very low	83 Å²	83	137 Å²	137	69%	0.686	76%	0.76	S	S	*	*			cis	-141.7	-163.2	1.6	0	0	0	0	0	108.8
637	T	35.6	Very low	35.1	Very low	138 Å²	138	137 Å²	137	85%	0.847	76%	0.757	S	S	*	*			cis	-144.8	-166.4	18.2	60.4	0	0	0	0	112.3
638	A	36.2	Very low	34.9	Very low	79 Å²	79	141 Å²	141	65%	0.653	76%	0.762	S	S	*	*			trans	-80.4	179.2	175.6	0	0	0	0	0	112.9
639	E	34.4	Very low	35	Very low	158 Å²	158	138.3 Å²	138.3	74%	0.738	76%	0.763	S	S	*	*			cis	-165.8	140.5	45.2	-180	40.5	-147.2	0	0	115.9
640	S	36.8	Very low	34.9	Very low	82 Å²	82	138 Å²	138	57%	0.573	77%	0.77	S	S	*	*			trans	57.9	158	154.7	-104.6	0	0	0	0	124
641	T	36.3	Very low	34.7	Very low	131 Å²	131	135.5 Å²	135.5	80%	0.804	76%	0.764	S	S	*	*			cis	-140.3	-173.6	-12.3	-28.8	0	0	0	0	110.4
642	R	32	Very low	34.8	Very low	240 Å²	240	133 Å²	133	91%	0.906	76%	0.763	S	S	*	*			trans	-103.9	165.4	-156.8	-54.5	178.6	-175.4	-178.8	1.1	116.6
643	R	31.4	Very low	35	Very low	203 Å²	203	132 Å²	132	77%	0.766	76%	0.763	S	S	*	*			trans	-101.1	144.1	164.3	173.5	-174.1	-176.3	-78	-0.1	111.2	S645	R643-S645 PolarHBondContact NH1-OG 2.88Å
644	P	36.3	Very low	35.1	Very low	117 Å²	117	133.6 Å²	133.6	76%	0.76	77%	0.768	S	S	*	*			trans	-114.4	-178.8	160.7	12.1	10.1	0	0	0	113.4
645	S	32.4	Very low	35.1	Very low	80 Å²	80	133.6 Å²	133.6	56%	0.559	77%	0.765	S	S	*	*			trans	-147.5	142.5	-174.5	-38.1	0	0	0	0	114.1	R643	R643-S645 PolarHBondContact NH1-OG 2.88Å
646	L	33.7	Very low	35.3	Very low	154 Å²	154	130.8 Å²	130.8	81%	0.806	76%	0.756	S	S	*	*			trans	62.2	155.5	160.5	-60.6	170.7	0	0	0	117.3
647	P	42.7	Very low	35.3	Very low	123 Å²	123	132.5 Å²	132.5	80%	0.799	76%	0.758	S	S	*	*				-143.5	-179.2	85.8	40.6	-24.1	0	0	0	115.5
648	D	31.9	Very low	35.4	Very low	152 Å²	152	133.4 Å²	133.4	81%	0.813	75%	0.753	S	S	*	*			trans	-91.4	156.5	178.1	-56.9	-85.5	0	0	0	114.8
649	C	33.1	Very low	35.3	Very low	133 Å²	133	137.4 Å²	137.4	90%	0.899	76%	0.758	S	S	*	*			trans	-160.8	154.6	148.2	62.6	0	0	0	0	111.3
650	A	32.4	Very low	35.3	Very low	103 Å²	103	135 Å²	135	85%	0.851	76%	0.759	S	S	*	*			trans	-145.1	149.4	-177.8	0	0	0	0	0	112.6
651	A	34.5	Very low	35.3	Very low	99 Å²	99	136.3 Å²	136.3	82%	0.818	77%	0.768	S	S	*	*			trans	168.8	153.7	142.6	0	0	0	0	0	114.2
652	A	35.7	Very low	35.1	Very low	84 Å²	84	137.5 Å²	137.5	69%	0.694	77%	0.769	S	S	*	*			trans	72.6	110.7	149.9	0	0	0	0	0	122.4
653	M	39.2	Very low	35.2	Very low	172 Å²	172	133.9 Å²	133.9	85%	0.847	77%	0.766	S	S	*	*				56.7	137.8	118.4	-62.3	179.1	110.1	0	0	119.9
654	D	37.6	Very low	35.4	Very low	126 Å²	126	133 Å²	133	67%	0.674	77%	0.771	S	S	*	*			cis	-161.9	178.5	2.9	-146.7	-56.1	0	0	0	110.9
655	K	36.9	Very low	35.4	Very low	164 Å²	164	137.9 Å²	137.9	71%	0.713	77%	0.774	S	S	*	*			trans	82.1	107.1	157.2	-68.9	-165.9	167	-151	0	123.7
656	D	36.8	Very low	35.9	Very low	126 Å²	126	138.3 Å²	138.3	67%	0.674	78%	0.775	S	S	*	*				87.4	132.3	116	-58.8	-18.4	0	0	0	122.8
657	T	35.9	Very low	36.3	Very low	119 Å²	119	142 Å²	142	73%	0.73	78%	0.778	S	S	*	*			trans	91.1	80.8	148.8	-50.3	0	0	0	0	121
658	E	37.2	Very low	36.6	Very low	156 Å²	156	139.5 Å²	139.5	73%	0.729	76%	0.764	S	S	*	*				86.3	145.2	120.8	-74.9	-159.3	77.8	0	0	125.9
659	Q	34	Very low	37.4	Very low	164 Å²	164	135 Å²	135	77%	0.766	75%	0.748	S	S	*	*			trans	78.1	90	150.1	-74	169.6	46.7	0	0	122.6
660	S	34	Very low	38.4	Very low	108 Å²	108	132.8 Å²	132.8	76%	0.755	73%	0.73	S	S	*	*				104.2	80.5	116.3	-146.6	0	0	0	0	121.8
661	S	37.1	Very low	39.6	Very low	108 Å²	108	133.3 Å²	133.3	76%	0.755	72%	0.717	S	S	*	*			trans	61	117	139.2	65.4	0	0	0	0	122.3
662	D	31.6	Very low	40.9	Very low	156 Å²	156	130.9 Å²	130.9	83%	0.834	69%	0.694	S	S	*	*			trans	-71.8	137.8	169.9	-64.6	-96.7	0	0	0	115.9
663	I	36	Very low	41.9	Very low	164 Å²	164	131.1 Å²	131.1	84%	0.841	68%	0.682	S	S	*	*			trans	-138.7	75.3	151.3	-49.5	-179.7	0	0	0	110.5
664	Q	34.7	Very low	42.9	Very low	186 Å²	186	129.4 Å²	129.4	87%	0.869	67%	0.674	S	S	*	*			trans	-135.1	67.5	173.5	-74.3	-155.4	3.4	0	0	115.2
665	R	35.2	Very low	44.4	Very low	218 Å²	218	129.4 Å²	129.4	82%	0.823	67%	0.669	S	S	*	*			trans	-158.3	150.3	159.3	-105.6	154	178.7	-147.4	0.2	107.9
666	P	43	Very low	45.5	Very low	90 Å²	90	127.3 Å²	127.3	58%	0.584	66%	0.657	S	S	*	*			cis	-142.9	65.9	44.4	40.3	-19.7	0	0	0	115.1	S668 A669	P666-S668 PolarHBondContact O-N 3.21Å; P666-A669 HydrophobicContact CB-CB 4.31Å; P666-A669 PolarHBondContact O-N 3.41Å
667	R	42.6	Very low	46.6	Very low	231 Å²	231	124.3 Å²	124.3	87%	0.872	64%	0.641	S	S	*	*	H	α-helix	trans	-62.8	-25.1	176.9	-101.9	-174.2	168.5	103	0.6	114.8
668	S	48.9	Very low	48	Very low	71 Å²	71	125.9 Å²	125.9	50%	0.497	64%	0.64	S	S	.	*	H	α-helix	trans	-74.9	-35.4	-179.7	48.5	0	0	0	0	113.8	P666 T670 I671 S672	P666-S668 PolarHBondContact O-N 3.21Å; S668-T670 PolarHBondContact O-N 2.98Å; S668-I671 PolarHBondContact O-N 2.97Å; S668-S672 PolarHBondContact O-N 2.97Å
669	A	48.5	Very low	49.2	Very low	58 Å²	58	124.5 Å²	124.5	48%	0.479	63%	0.633	S	S	.	*	H	α-helix	trans	-63.3	-43.8	-176.7	0	0	0	0	0	111.9	P666 I671 S672 M673	P666-A669 HydrophobicContact CB-CB 4.31Å; P666-A669 PolarHBondContact O-N 3.41Å; A669-I671 VanDerWaalsContact C-N 3.29Å; A669-I671 PolarHBondContact O-N 3.32Å; A669-S672 PolarHBondContact O-N 3.05Å; A669-M673 PolarHBondContact O-N 2.87Å
670	T	54.9	Low	50.3	Low	85 Å²	85	122.6 Å²	122.6	52%	0.521	63%	0.625	S	S	.	*	H	α-helix	trans	-60.5	-37.1	178.2	-42.9	0	0	0	0	112.3	S668 M673 M674	S668-T670 PolarHBondContact O-N 2.98Å; T670-M673 PolarHBondContact O-N 3.23Å; T670-M674 WeakPolarHBondContact O-CG 3.49Å; T670-M674 PolarHBondContact O-N 3.31Å
671	I	56.8	Low	51.3	Low	115 Å²	115	124.6 Å²	124.6	59%	0.59	62%	0.622	S	S	*	*	H	α-helix	trans	-67.1	-46.8	179.3	-61.6	170.7	0	0	0	110.2	S668 A669 M673 M674 Q675	S668-I671 PolarHBondContact O-N 2.97Å; A669-I671 VanDerWaalsContact C-N 3.29Å; A669-I671 PolarHBondContact O-N 3.32Å; I671-M673 VanDerWaalsContact C-N 3.28Å; I671-M673 PolarHBondContact O-N 3.19Å; I671-M674 PolarHBondContact O-N 2.93Å; I671-Q675 PolarHBondContact O-N 3.37Å
672	S	63.2	Low	51.8	Low	47 Å²	47	123.1 Å²	123.1	33%	0.329	61%	0.612	S	S	.	*	H	α-helix	trans	-63.4	-32.3	175.6	-172.4	0	0	0	0	112.9	S668 A669 R676	S668-S672 PolarHBondContact O-N 2.97Å; A669-S672 PolarHBondContact O-N 3.05Å; S672-R676 PolarHBondContact O-N 3.24Å; S672-R676 VanDerWaalsContact O-N 3.16Å; S672-R676 PolarHBondContact OG-NH2 3.19Å
673	M	56.7	Low	52.3	Low	89 Å²	89	119.6 Å²	119.6	44%	0.438	60%	0.598	S	S	.	*	H	α-helix	trans	-68.7	-47.7	174.8	-169.4	-178.9	-173.4	0	0	111.7	A669 T670 I671 Q675 R676 L677	A669-M673 PolarHBondContact O-N 2.87Å; T670-M673 PolarHBondContact O-N 3.23Å; I671-M673 VanDerWaalsContact C-N 3.28Å; I671-M673 PolarHBondContact O-N 3.19Å; M673-Q675 VanDerWaalsContact C-N 3.32Å; M673-Q675 PolarHBondContact O-N 3.42Å; M673-R676 PolarHBondContact O-N 3.15Å; M673-L677 HydrophobicContact CG-CD1 4.03Å; M673-L677 WeakPolarHBondContact O-CD1 3.26Å; M673-L677 PolarHBondContact O-N 2.93Å
674	M	58.6	Low	52.7	Low	136 Å²	136	116.8 Å²	116.8	67%	0.67	59%	0.593	S	S	*	*	H	α-helix	trans	-60.3	-41.5	177.3	-70.1	-174.6	105.9	0	0	112	T670 I671 R676 L677 Q678	T670-M674 WeakPolarHBondContact O-CG 3.49Å; T670-M674 PolarHBondContact O-N 3.31Å; I671-M674 PolarHBondContact O-N 2.93Å; M674-R676 VanDerWaalsContact C-N 3.33Å; M674-R676 PolarHBondContact O-N 3.03Å; M674-L677 PolarHBondContact O-N 2.99Å; M674-Q678 PolarHBondContact O-N 2.98Å; M674-Q678 VanDerWaalsContact O-N 3.11Å
675	Q	69.5	Low	53	Low	126 Å²	126	111.9 Å²	111.9	59%	0.589	59%	0.585	S	S	*	*	H	α-helix	trans	-62.6	-39.6	176.7	-163.3	168.2	9.3	0	0	111.8	I671 M673 Q678 Q679	I671-Q675 PolarHBondContact O-N 3.37Å; M673-Q675 VanDerWaalsContact C-N 3.32Å; M673-Q675 PolarHBondContact O-N 3.42Å; Q675-Q678 PolarHBondContact O-N 2.89Å; Q675-Q679 PolarHBondContact O-N 3.25Å
676	R	60	Low	53.1	Low	120 Å²	120	110.7 Å²	110.7	45%	0.453	59%	0.585	S	S	.	*	H	α-helix	trans	-66.9	-38.3	174.9	-103.6	176.5	-80.7	-157.7	-2.7	114.1	S672 M673 M674 Q678 Q679 Q680	S672-R676 PolarHBondContact O-N 3.24Å; S672-R676 VanDerWaalsContact O-N 3.16Å; S672-R676 PolarHBondContact OG-NH2 3.19Å; M673-R676 PolarHBondContact O-N 3.15Å; M674-R676 VanDerWaalsContact C-N 3.33Å; M674-R676 PolarHBondContact O-N 3.03Å; R676-Q678 VanDerWaalsContact C-N 3.29Å; R676-Q678 PolarHBondContact O-N 2.92Å; R676-Q679 WeakPolarHBondContact O-CB 3.43Å; R676-Q679 PolarHBondContact O-N 3.36Å; R676-Q680 WeakPolarHBondContact O-CG 3.38Å; R676-Q680 PolarHBondContact O-N 2.86Å
677	L	60.5	Low	52.7	Low	64 Å²	64	112.1 Å²	112.1	34%	0.335	59%	0.593	S	S	.	*	H	α-helix	trans	-62.7	-38	172.8	-90.5	79.5	0	0	0	111.5	M673 M674 Q679 Q680 Q681	M673-L677 HydrophobicContact CG-CD1 4.03Å; M673-L677 WeakPolarHBondContact O-CD1 3.26Å; M673-L677 PolarHBondContact O-N 2.93Å; M674-L677 PolarHBondContact O-N 2.99Å; L677-Q679 VanDerWaalsContact C-N 3.34Å; L677-Q680 PolarHBondContact O-N 3.07Å; L677-Q681 WeakPolarHBondContact O-CG 3.47Å; L677-Q681 PolarHBondContact O-N 3.33Å
678	Q	65.3	Low	52.3	Low	151 Å²	151	113.2 Å²	113.2	71%	0.706	60%	0.597	S	S	*	*	H	α-helix	trans	-70.6	-31.8	178.1	-159.4	157.9	-2.8	0	0	111.9	M674 Q675 R676	M674-Q678 PolarHBondContact O-N 2.98Å; M674-Q678 VanDerWaalsContact O-N 3.11Å; Q675-Q678 PolarHBondContact O-N 2.89Å; R676-Q678 VanDerWaalsContact C-N 3.29Å; R676-Q678 PolarHBondContact O-N 2.92Å
679	Q	61.5	Low	51.7	Low	127 Å²	127	119.5 Å²	119.5	59%	0.593	62%	0.615	S	S	*	*	H	α-helix	trans	-62.2	-50	166.3	-136.2	84.8	32	0	0	111.5	Q675 R676 L677 Q681 S682	Q675-Q679 PolarHBondContact O-N 3.25Å; R676-Q679 WeakPolarHBondContact O-CB 3.43Å; R676-Q679 PolarHBondContact O-N 3.36Å; L677-Q679 VanDerWaalsContact C-N 3.34Å; Q679-Q681 VanDerWaalsContact C-N 3.33Å; Q679-Q681 PolarHBondContact O-N 2.91Å; Q679-S682 WeakPolarHBondContact O-CB 3.48Å; Q679-S682 PolarHBondContact O-N 3.24Å; Q679-S682 PolarHBondContact O-OG 2.97Å
680	Q	57.9	Low	51.3	Low	125 Å²	125	121.4 Å²	121.4	58%	0.584	63%	0.625	S	S	*	*	H	α-helix	trans	-64.6	-32.1	-176.9	-75.9	179	-19.9	0	0	113.8	R676 L677 S682 C683	R676-Q680 WeakPolarHBondContact O-CG 3.38Å; R676-Q680 PolarHBondContact O-N 2.86Å; L677-Q680 PolarHBondContact O-N 3.07Å; Q680-S682 PolarHBondContact O-N 2.97Å; Q680-C683 PolarHBondContact O-SG 3.18Å
681	Q	55.6	Low	50.6	Low	150 Å²	150	126.8 Å²	126.8	70%	0.701	64%	0.641	S	S	*	*	H	α-helix	trans	-68	-19.1	173.7	-71.7	176.3	12.5	0	0	113.4	L677 Q679	L677-Q681 WeakPolarHBondContact O-CG 3.47Å; L677-Q681 PolarHBondContact O-N 3.33Å; Q679-Q681 VanDerWaalsContact C-N 3.33Å; Q679-Q681 PolarHBondContact O-N 2.91Å
682	S	47.6	Very low	49.6	Very low	77 Å²	77	128.8 Å²	128.8	54%	0.538	65%	0.653	S	S	.	*	H	α-helix	trans	-83.8	-27.4	-179.5	76.2	0	0	0	0	114.4	Q679 Q680	Q679-S682 WeakPolarHBondContact O-CB 3.48Å; Q679-S682 PolarHBondContact O-N 3.24Å; Q679-S682 PolarHBondContact O-OG 2.97Å; Q680-S682 PolarHBondContact O-N 2.97Å
683	C	42.2	Very low	48.5	Very low	81 Å²	81	132.1 Å²	132.1	55%	0.547	67%	0.673	S	S	.	*	H	α-helix	trans	-90.5	-23.9	-174.4	51.1	0	0	0	0	114.7	Q680 A685	Q680-C683 PolarHBondContact O-SG 3.18Å; C683-A685 PolarHBondContact O-N 3.08Å; C683-A685 VanDerWaalsContact O-N 3.1Å
684	S	44.3	Very low	47.5	Very low	105 Å²	105	132.1 Å²	132.1	73%	0.734	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-5.6	176.1	-60.8	0	0	0	0	115.1
685	A	39.7	Very low	46.4	Very low	84 Å²	84	130 Å²	130	69%	0.694	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	2.5	-173.8	0	0	0	0	0	115.3	C683	C683-A685 PolarHBondContact O-N 3.08Å; C683-A685 VanDerWaalsContact O-N 3.1Å
686	K	37.3	Very low	44.9	Very low	192 Å²	192	132 Å²	132	84%	0.835	71%	0.706	S	S	*	*	S	Bend	trans	-128.8	18.7	-166.2	-77	-167.9	173.3	-175.2	0	117.6
687	T	35.2	Very low	43.9	Very low	121 Å²	121	132 Å²	132	74%	0.742	72%	0.722	S	S	*	*			trans	-140.6	53.6	-173.2	47.5	0	0	0	0	116.7
688	R	34.2	Very low	42.5	Very low	253 Å²	253	132.5 Å²	132.5	96%	0.955	74%	0.742	S	S	*	*			trans	-145.4	97.3	161.1	-71.9	-162.7	178	-162.9	-2.2	114.3
689	K	37.3	Very low	41.4	Very low	204 Å²	204	131.7 Å²	131.7	89%	0.887	75%	0.749	S	S	*	*			trans	-154.4	138.3	154.4	-159.2	163.5	-175.1	173.8	0	111.2
690	S	39.4	Very low	40.1	Very low	97 Å²	97	130.2 Å²	130.2	68%	0.678	75%	0.753	S	S	*	*			trans	74.4	116.9	170.8	-75.3	0	0	0	0	121.1
691	K	39.3	Very low	39.1	Very low	199 Å²	199	130.3 Å²	130.3	87%	0.865	76%	0.758	S	S	*	*			trans	85.2	107.5	134.4	-63.5	174.7	-177.9	-175.7	0	120.6
692	N	36.8	Very low	38.2	Very low	157 Å²	157	131.1 Å²	131.1	84%	0.84	76%	0.762	S	S	*	*			trans	-76.3	165.4	157.2	-125.5	14.5	0	0	0	110.2
693	P	40.4	Very low	37.6	Very low	116 Å²	116	136.3 Å²	136.3	75%	0.753	78%	0.777	S	S	*	*				-155.5	170.3	88	41	-22	0	0	0	118.5
694	A	36.1	Very low	37.3	Very low	89 Å²	89	141.1 Å²	141.1	74%	0.736	80%	0.796	S	S	*	*			trans	50.7	115.6	150.1	0	0	0	0	0	120.9
695	A	34.8	Very low	36.9	Very low	93 Å²	93	140.1 Å²	140.1	77%	0.769	79%	0.794	S	S	*	*				93.8	150	79.8	0	0	0	0	0	112.2
696	L	37.8	Very low	36.6	Very low	167 Å²	167	141.6 Å²	141.6	87%	0.874	80%	0.799	S	S	*	*			cis	-138.5	179.7	20.7	-81.5	170.8	0	0	0	112.8
697	P	38.5	Very low	36.4	Very low	121 Å²	121	140.5 Å²	140.5	79%	0.786	80%	0.802	S	S	*	*			trans	-131.3	174.8	-158.6	44.6	-31.6	0	0	0	119.5
698	G	32.2	Very low	36.2	Very low	74 Å²	74	137.6 Å²	137.6	76%	0.763	80%	0.797	S	S	*	*			trans	85.6	177.3	154.9	0	0	0	0	0	117.3
699	P	42.3	Very low	36.3	Very low	133 Å²	133	132 Å²	132	86%	0.864	79%	0.79	S	S	*	*			cis	-116.1	-156.9	-8.7	40.8	-26.2	0	0	0	111.6
700	S	34.2	Very low	36.4	Very low	96 Å²	96	126.8 Å²	126.8	67%	0.671	78%	0.78	S	S	*	*				-155.5	-172.8	-54	62.9	0	0	0	0	109.8
701	N	35.2	Very low	36.3	Very low	128 Å²	128	128.4 Å²	128.4	68%	0.684	79%	0.791	S	S	*	*			trans	68.1	145	172.7	-69.3	38.4	0	0	0	117.4
702	E	37.6	Very low	36.1	Very low	166 Å²	166	122.7 Å²	122.7	78%	0.776	78%	0.775	S	S	*	*			cis	-144.8	176.2	-1.8	-133	159.9	125.4	0	0	112.7
703	Q	34.2	Very low	36.3	Very low	186 Å²	186	121.1 Å²	121.1	87%	0.869	77%	0.767	S	S	*	*			trans	-106.7	135.6	-159.1	-59.1	159.6	-88.1	0	0	114.7
704	I	36.6	Very low	36.6	Very low	183 Å²	183	124.3 Å²	124.3	94%	0.938	76%	0.764	S	S	*	*			trans	-135.7	147.2	152.1	-61.3	-175.4	0	0	0	108
705	A	35.8	Very low	37.7	Very low	83 Å²	83	124 Å²	124	69%	0.686	76%	0.757	S	S	*	*			trans	-101.9	152.3	-156.9	0	0	0	0	0	116.7
706	S	32.7	Very low	38.8	Very low	116 Å²	116	125.7 Å²	125.7	81%	0.811	75%	0.753	S	S	*	*			trans	40.1	108.4	145.8	61.5	0	0	0	0	120.6
707	D	33.3	Very low	40.3	Very low	168 Å²	168	119.4 Å²	119.4	90%	0.898	73%	0.725	S	S	*	*				-145.6	159.6	113.3	-154.3	-10.1	0	0	0	109.9
708	G	31.4	Very low	42.5	Very low	61 Å²	61	117.9 Å²	117.9	63%	0.629	71%	0.706	S	S	*	*			trans	-94.4	128.1	-166.4	0	0	0	0	0	114.9
709	T	37.2	Very low	45.1	Very low	134 Å²	134	117.1 Å²	117.1	82%	0.822	69%	0.686	S	S	*	*			trans	-154.5	133.8	164.2	-8.4	0	0	0	0	114.5
710	S	38.9	Very low	47.2	Very low	95 Å²	95	110.8 Å²	110.8	66%	0.664	65%	0.645	S	S	*	*			trans	23.9	107.2	159.9	59.8	0	0	0	0	119.4	C712	S710-C712 PolarHBondContact O-N 3.39Å
711	S	36.2	Very low	49.5	Very low	131 Å²	131	112.1 Å²	112.1	92%	0.916	65%	0.645	S	S	*	*			trans	-56.2	122	152.1	179.2	0	0	0	0	109.5
712	C	35.8	Very low	51.8	Low	79 Å²	79	110.9 Å²	110.9	53%	0.534	63%	0.631	S	S	.	*			trans	-118.3	110.9	178.1	45.6	0	0	0	0	109.4	S710 W714	S710-C712 PolarHBondContact O-N 3.39Å; C712-W714 PolarHBondContact O-N 3.28Å
713	D	41.6	Very low	53.9	Low	125 Å²	125	103.6 Å²	103.6	67%	0.668	60%	0.598	S	S	*	*			trans	-75.8	107.5	178.8	-178.8	4.6	0	0	0	110.5	S715	D713-S715 VanDerWaalsContact C-N 3.28Å; D713-S715 PolarHBondContact O-N 3.41Å; D713-S715 WeakPolarHBondContact OD1-CB 3.32Å; D713-S715 PolarHBondContact OD1-N 3.26Å; D713-S715 PolarHBondContact OD1-OG 3.23Å; D713-S715 PolarHBondContact OD2-OG 3.2Å
714	W	47.2	Very low	56.2	Low	183 Å²	183	99.8 Å²	99.8	69%	0.693	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-79.3	-4.2	-179.4	-69.3	85.5	0	0	0	113.8	C712 N716 A717 A726	C712-W714 PolarHBondContact O-N 3.28Å; W714-N716 PolarHBondContact O-N 3.46Å; W714-A717 HydrophobicContact CE3-CB 4.41Å; W714-A717 PolarHBondContact O-N 2.73Å; W714-A717 VanDerWaalsContact O-N 3.12Å; W714-A726 HydrophobicContact CZ3-CB 4.23Å
715	S	58.9	Low	58.4	Low	82 Å²	82	93.2 Å²	93.2	57%	0.573	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-58.6	-14.9	-172.8	62.2	0	0	0	0	115.9	D713	D713-S715 VanDerWaalsContact C-N 3.28Å; D713-S715 PolarHBondContact O-N 3.41Å; D713-S715 WeakPolarHBondContact OD1-CB 3.32Å; D713-S715 PolarHBondContact OD1-N 3.26Å; D713-S715 PolarHBondContact OD1-OG 3.23Å; D713-S715 PolarHBondContact OD2-OG 3.2Å
716	N	56.6	Low	60.8	Low	129 Å²	129	91.5 Å²	91.5	69%	0.69	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-117.7	19.2	-177.4	-71.9	-91.2	0	0	0	113.7	W714	W714-N716 PolarHBondContact O-N 3.46Å
717	A	70.8	Confident	63.4	Low	34 Å²	34	87.7 Å²	87.7	28%	0.281	50%	0.504	S	S	.	.			trans	-79.3	129.6	177.3	0	0	0	0	0	112.5	W714 V719 A726	W714-A717 HydrophobicContact CE3-CB 4.41Å; W714-A717 PolarHBondContact O-N 2.73Å; W714-A717 VanDerWaalsContact O-N 3.12Å; A717-V719 PolarHBondContact O-N 3.47Å; A717-A726 HydrophobicContact CB-CB 4.41Å
718	F	83.4	Confident	65.7	Low	90 Å²	90	89.6 Å²	89.6	40%	0.395	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	103.3	174.3	-64.9	-93.8	0	0	0	109.6	F727 C730 Y733	F718-F727 HydrophobicContact CB-CB 4.34Å; F718-F727 PolarHBondContact N-O 2.92Å; F718-F727 WeakPolarHBondContact O-CD2 3.34Å; F718-F727 PolarHBondContact O-N 3.41Å; F718-C730 HydrophobicContact CD1-CB 4.45Å; F718-C730 HydrophobicContact CD2-CB 4.29Å; F718-C730 HydrophobicContact CE1-CB 3.95Å; F718-C730 HydrophobicContact CE2-CB 3.76Å; F718-C730 HydrophobicContact CZ-CB 3.58Å; F718-Y733 HydrophobicContact CB-CD1 4.38Å; F718-Y733 HydrophobicContact CB-CD2 3.73Å; F718-Y733 HydrophobicContact CB-CG 3.65Å; F718-Y733 HydrophobicContact CD1-CD1 4.38Å; F718-Y733 HydrophobicContact CD1-CG 4.45Å; F718-Y733 HydrophobicContact CG-CG 4.36Å
719	V	86.5	Confident	68.1	Low	58 Å²	58	90.4 Å²	90.4	35%	0.352	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.5	-175	-173.4	0	0	0	0	111.7	A717 N721 L724 I725 A726 Y733	A717-V719 PolarHBondContact O-N 3.47Å; V719-N721 PolarHBondContact O-N 3.43Å; V719-L724 HydrophobicContact CG1-CD2 3.78Å; V719-I725 WeakPolarHBondContact CA-O 3.46Å; V719-A726 HydrophobicContact CG2-CB 4.07Å; V719-Y733 WeakPolarHBondContact O-CE2 3.43Å
720	C	86.9	Confident	70.4	Confident	0 Å²	0	86.5 Å²	86.5	0%	0	47%	0.472	C	S	.	.			trans	-75.3	116.3	170.5	173.8	0	0	0	0	111.1	Y722 C723 L724 I725 F727 H736 M737	C720-Y722 PolarHBondContact O-N 3.48Å; C720-Y722 PolarHBondContact SG-N 3.2Å; C720-Y722 VanDerWaalsContact SG-N 3.41Å; C720-C723 HydrophobicContact CB-CB 4.45Å; C720-C723 PolarHBondContact O-N 3.21Å; C720-C723 PolarHBondContact SG-N 3.34Å; C720-L724 WeakPolarHBondContact O-CA 3.31Å; C720-L724 PolarHBondContact O-N 2.96Å; C720-I725 PolarHBondContact N-O 3.24Å; C720-F727 HydrophobicContact CB-CE2 4.27Å; C720-H736 WeakPolarHBondContact CB-NE2 3.44Å; C720-H736 PolarHBondContact SG-NE2 2.82Å; C720-M737 HydrophobicContact CB-CE 3.82Å; C720-M737 WeakPolarHBondContact SG-CE 3.43Å
721	N	83.3	Confident	72.7	Confident	124 Å²	124	85.8 Å²	85.8	66%	0.663	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.7	178.4	-68.3	-19	0	0	0	113.5	V719 R758	V719-N721 PolarHBondContact O-N 3.43Å; N721-R758 PolarHBondContact O-NH2 3.34Å
722	Y	82.9	Confident	75.1	Confident	102 Å²	102	84.8 Å²	84.8	40%	0.4	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-36.1	-179.4	-50.8	-53.1	0	0	0	113.1	C720 M737 H740 P745 R758	C720-Y722 PolarHBondContact O-N 3.48Å; C720-Y722 PolarHBondContact SG-N 3.2Å; C720-Y722 VanDerWaalsContact SG-N 3.41Å; Y722-M737 HydrophobicContact CD2-CE 4.29Å; Y722-H740 HydrophobicContact CD2-CB 4.26Å; Y722-H740 AromaticContact CD2-CD2 3.98Å; Y722-H740 AromaticContact CD2-CG 3.74Å; Y722-H740 AromaticContact CD2-ND1 3.78Å; Y722-H740 HydrophobicContact CE2-CB 4.48Å; Y722-P745 HydrophobicContact CD1-CB 3.46Å; Y722-P745 VanDerWaalsContact CD1-CB 3.46Å; Y722-P745 HydrophobicContact CD1-CG 3.85Å; Y722-P745 HydrophobicContact CD2-CB 4.05Å; Y722-P745 HydrophobicContact CE1-CB 3.69Å; Y722-P745 HydrophobicContact CE1-CG 3.56Å; Y722-P745 HydrophobicContact CE2-CB 4.24Å; Y722-P745 HydrophobicContact CG-CB 3.66Å; Y722-P745 HydrophobicContact CG-CG 4.46Å; Y722-R758 VanDerWaalsContact O-CZ 3.31Å; Y722-R758 PolarHBondContact O-NE 3.15Å; Y722-R758 PolarHBondContact O-NH2 2.86Å
723	C	82.1	Confident	77.6	Confident	12 Å²	12	83.8 Å²	83.8	8%	0.081	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-10.2	-177.8	-68	0	0	0	0	115.2	C720 I725 H740	C720-C723 HydrophobicContact CB-CB 4.45Å; C720-C723 PolarHBondContact O-N 3.21Å; C720-C723 PolarHBondContact SG-N 3.34Å; C723-I725 HydrophobicContact CB-CD1 3.84Å; C723-I725 HydrophobicContact CB-CG1 3.82Å; C723-I725 PolarHBondContact O-N 2.82Å; C723-H740 PolarHBondContact SG-CE1 2.92Å
724	L	82.3	Confident	79.8	Confident	107 Å²	107	81.1 Å²	81.1	56%	0.56	42%	0.417	S	S	*	.			trans	50.8	23.3	-167.3	-74.6	-175.5	0	0	0	115.8	V719 C720 A726 R758	V719-L724 HydrophobicContact CG1-CD2 3.78Å; C720-L724 WeakPolarHBondContact O-CA 3.31Å; C720-L724 PolarHBondContact O-N 2.96Å; L724-A726 PolarHBondContact O-N 3.44Å; L724-R758 VanDerWaalsContact CD1-NH1 3.29Å
725	I	83.1	Confident	81.7	Confident	45 Å²	45	76.5 Å²	76.5	23%	0.231	41%	0.405	C	S	.	.			trans	-74.8	124	170.5	-53.5	168.8	0	0	0	108.6	V719 C720 C723 F727 F762	V719-I725 WeakPolarHBondContact CA-O 3.46Å; C720-I725 PolarHBondContact N-O 3.24Å; C723-I725 HydrophobicContact CB-CD1 3.84Å; C723-I725 HydrophobicContact CB-CG1 3.82Å; C723-I725 PolarHBondContact O-N 2.82Å; I725-F727 HydrophobicContact CB-CD2 4.47Å; I725-F727 HydrophobicContact CB-CE2 3.65Å; I725-F727 HydrophobicContact CB-CZ 3.83Å; I725-F727 HydrophobicContact CD1-CZ 4.35Å; I725-F727 HydrophobicContact CG2-CD1 4.48Å; I725-F727 HydrophobicContact CG2-CD2 4.17Å; I725-F727 HydrophobicContact CG2-CE1 3.9Å; I725-F727 HydrophobicContact CG2-CE2 3.53Å; I725-F727 HydrophobicContact CG2-CZ 3.37Å; I725-F727 WeakPolarHBondContact O-CD2 3.15Å; I725-F727 WeakPolarHBondContact O-CE2 3.45Å; I725-F762 HydrophobicContact CD1-CD2 3.54Å; I725-F762 HydrophobicContact CD1-CE2 3.76Å; I725-F762 HydrophobicContact CG1-CD2 4.47Å
726	A	86.4	Confident	83.1	Confident	46 Å²	46	73 Å²	73	38%	0.38	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120.7	174.1	0	0	0	0	0	110.7	W714 A717 V719 L724	W714-A726 HydrophobicContact CZ3-CB 4.23Å; A717-A726 HydrophobicContact CB-CB 4.41Å; V719-A726 HydrophobicContact CG2-CB 4.07Å; L724-A726 PolarHBondContact O-N 3.44Å
727	F	86.4	Confident	84.6	Confident	36 Å²	36	68.4 Å²	68.4	16%	0.158	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.3	179.4	-62.6	-88.4	0	0	0	111.1	F718 C720 I725 D729 M732 Y733 H736	F718-F727 HydrophobicContact CB-CB 4.34Å; F718-F727 PolarHBondContact N-O 2.92Å; F718-F727 WeakPolarHBondContact O-CD2 3.34Å; F718-F727 PolarHBondContact O-N 3.41Å; C720-F727 HydrophobicContact CB-CE2 4.27Å; I725-F727 HydrophobicContact CB-CD2 4.47Å; I725-F727 HydrophobicContact CB-CE2 3.65Å; I725-F727 HydrophobicContact CB-CZ 3.83Å; I725-F727 HydrophobicContact CD1-CZ 4.35Å; I725-F727 HydrophobicContact CG2-CD1 4.48Å; I725-F727 HydrophobicContact CG2-CD2 4.17Å; I725-F727 HydrophobicContact CG2-CE1 3.9Å; I725-F727 HydrophobicContact CG2-CE2 3.53Å; I725-F727 HydrophobicContact CG2-CZ 3.37Å; I725-F727 WeakPolarHBondContact O-CD2 3.15Å; I725-F727 WeakPolarHBondContact O-CE2 3.45Å; F727-D729 VanDerWaalsContact C-N 3.25Å; F727-D729 PolarHBondContact O-N 3.43Å; F727-M732 HydrophobicContact CD1-CB 3.71Å; F727-M732 HydrophobicContact CE1-CB 4.38Å; F727-M732 HydrophobicContact CG-CB 4.47Å; F727-Y733 HydrophobicContact CD2-CD2 4.05Å; F727-H736 HydrophobicContact CE1-CB 4Å; F727-H736 HydrophobicContact CE2-CB 3.81Å; F727-H736 AromaticContact CE2-CD2 3.32Å; F727-H736 WeakPolarHBondContact CE2-CD2 3.35Å; F727-H736 AromaticContact CE2-CG 3.63Å; F727-H736 HydrophobicContact CZ-CB 3.39Å; F727-H736 AromaticContact CZ-CD2 3.48Å; F727-H736 VanDerWaalsContact CZ-CD2 3.48Å; F727-H736 WeakPolarHBondContact CZ-CD2 3.43Å; F727-H736 AromaticContact CZ-CG 3.3Å; F727-H736 AromaticContact CZ-ND1 3.94Å
728	K	81.1	Confident	85.4	Confident	208 Å²	208	68.2 Å²	68.2	90%	0.904	36%	0.355	S	S	*	.	S	Bend	trans	-76.4	-10.3	174.8	-170.3	165.9	-177	167.5	0	113.7
729	D	82.8	Confident	85.7	Confident	78 Å²	78	66.7 Å²	66.7	42%	0.417	35%	0.347	S	S	.	.	S	Bend	trans	-132.7	130.2	-179.5	-172.8	-8.8	0	0	0	110.6	F727 V731 M732 Y733	F727-D729 VanDerWaalsContact C-N 3.25Å; F727-D729 PolarHBondContact O-N 3.43Å; D729-V731 PolarHBondContact O-N 2.88Å; D729-V731 PolarHBondContact OD1-N 2.95Å; D729-M732 PolarHBondContact O-N 3.12Å; D729-Y733 PolarHBondContact O-N 2.82Å
730	C	86.1	Confident	85.8	Confident	52 Å²	52	64.6 Å²	64.6	35%	0.351	33%	0.334	S	S	.	.	H	α-helix	trans	-54	-31.4	171.6	66	0	0	0	0	113.2	F718 N734	F718-C730 HydrophobicContact CD1-CB 4.45Å; F718-C730 HydrophobicContact CD2-CB 4.29Å; F718-C730 HydrophobicContact CE1-CB 3.95Å; F718-C730 HydrophobicContact CE2-CB 3.76Å; F718-C730 HydrophobicContact CZ-CB 3.58Å; C730-N734 WeakPolarHBondContact O-CB 3.08Å; C730-N734 PolarHBondContact O-N 2.97Å; C730-N734 PolarHBondContact O-ND2 3.4Å
731	V	85.2	Confident	85.8	Confident	80 Å²	80	65.4 Å²	65.4	49%	0.485	34%	0.34	S	S	.	.	H	α-helix	trans	-67.6	-46	178.7	-179.8	0	0	0	0	110.3	D729 N734 I735	D729-V731 PolarHBondContact O-N 2.88Å; D729-V731 PolarHBondContact OD1-N 2.95Å; V731-N734 PolarHBondContact O-N 3.4Å; V731-I735 HydrophobicContact CG1-CD1 3.96Å; V731-I735 VanDerWaalsContact O-CG1 3.31Å; V731-I735 WeakPolarHBondContact O-CG1 3.38Å; V731-I735 PolarHBondContact O-N 3.3Å
732	M	86.8	Confident	85.7	Confident	110 Å²	110	66.9 Å²	66.9	54%	0.542	34%	0.341	S	S	.	.	H	α-helix	trans	-67.8	-37.3	177.1	-72.4	-64.7	-175.4	0	0	112.1	F727 D729 I735 H736	F727-M732 HydrophobicContact CD1-CB 3.71Å; F727-M732 HydrophobicContact CE1-CB 4.38Å; F727-M732 HydrophobicContact CG-CB 4.47Å; D729-M732 PolarHBondContact O-N 3.12Å; M732-I735 PolarHBondContact O-N 3.36Å; M732-I735 HydrophobicContact SD-CD1 4.31Å; M732-H736 WeakPolarHBondContact O-CB 3.33Å; M732-H736 PolarHBondContact O-N 3.47Å
733	Y	89.8	Confident	85.6	Confident	58 Å²	58	69.3 Å²	69.3	23%	0.227	36%	0.361	C	S	.	.	H	α-helix	trans	-59.4	-46.9	171.6	175.5	-98.7	0	0	0	112.3	F718 V719 F727 D729 H736 M737	F718-Y733 HydrophobicContact CB-CD1 4.38Å; F718-Y733 HydrophobicContact CB-CD2 3.73Å; F718-Y733 HydrophobicContact CB-CG 3.65Å; F718-Y733 HydrophobicContact CD1-CD1 4.38Å; F718-Y733 HydrophobicContact CD1-CG 4.45Å; F718-Y733 HydrophobicContact CG-CG 4.36Å; V719-Y733 WeakPolarHBondContact O-CE2 3.43Å; F727-Y733 HydrophobicContact CD2-CD2 4.05Å; D729-Y733 PolarHBondContact O-N 2.82Å; Y733-H736 PolarHBondContact O-N 3.4Å; Y733-M737 HydrophobicContact CD1-CG 4.13Å; Y733-M737 HydrophobicContact CD2-CG 4.49Å; Y733-M737 HydrophobicContact CE1-CG 3.69Å; Y733-M737 HydrophobicContact CE1-SD 4.43Å; Y733-M737 HydrophobicContact CE2-CE 4.13Å; Y733-M737 HydrophobicContact CE2-CG 4.09Å; Y733-M737 HydrophobicContact CE2-SD 4.26Å; Y733-M737 VanDerWaalsContact O-CG 3.31Å; Y733-M737 WeakPolarHBondContact O-CG 3.44Å; Y733-M737 PolarHBondContact O-N 3.24Å
734	N	87.6	Confident	85.5	Confident	70 Å²	70	71.3 Å²	71.3	37%	0.374	37%	0.371	S	S	.	.	H	α-helix	trans	-66.8	-36.8	179.2	-78.3	-65.1	0	0	0	112.6	C730 V731 G738	C730-N734 WeakPolarHBondContact O-CB 3.08Å; C730-N734 PolarHBondContact O-N 2.97Å; C730-N734 PolarHBondContact O-ND2 3.4Å; V731-N734 PolarHBondContact O-N 3.4Å; N734-G738 PolarHBondContact O-N 2.97Å
735	I	86.8	Confident	85.6	Confident	85 Å²	85	68 Å²	68	44%	0.436	36%	0.355	S	S	.	.	H	α-helix	trans	-62.5	-46.2	171.7	-69.1	164.5	0	0	0	110	V731 M732 M737 G738 Y739	V731-I735 HydrophobicContact CG1-CD1 3.96Å; V731-I735 VanDerWaalsContact O-CG1 3.31Å; V731-I735 WeakPolarHBondContact O-CG1 3.38Å; V731-I735 PolarHBondContact O-N 3.3Å; M732-I735 PolarHBondContact O-N 3.36Å; M732-I735 HydrophobicContact SD-CD1 4.31Å; I735-M737 PolarHBondContact O-N 3.23Å; I735-G738 WeakPolarHBondContact O-CA 3.37Å; I735-G738 PolarHBondContact O-N 3.29Å; I735-Y739 HydrophobicContact CG2-CE2 4.1Å; I735-Y739 WeakPolarHBondContact O-CD2 3.3Å
736	H	88.9	Confident	85.8	Confident	10 Å²	10	69 Å²	69	5%	0.046	36%	0.358	C	S	.	.	H	α-helix	trans	-63.3	-41.7	179	178.5	61.2	0	0	0	113.1	C720 F727 M732 Y733 G738 Y739 H740	C720-H736 WeakPolarHBondContact CB-NE2 3.44Å; C720-H736 PolarHBondContact SG-NE2 2.82Å; F727-H736 HydrophobicContact CE1-CB 4Å; F727-H736 HydrophobicContact CE2-CB 3.81Å; F727-H736 AromaticContact CE2-CD2 3.32Å; F727-H736 WeakPolarHBondContact CE2-CD2 3.35Å; F727-H736 AromaticContact CE2-CG 3.63Å; F727-H736 HydrophobicContact CZ-CB 3.39Å; F727-H736 AromaticContact CZ-CD2 3.48Å; F727-H736 VanDerWaalsContact CZ-CD2 3.48Å; F727-H736 WeakPolarHBondContact CZ-CD2 3.43Å; F727-H736 AromaticContact CZ-CG 3.3Å; F727-H736 AromaticContact CZ-ND1 3.94Å; M732-H736 WeakPolarHBondContact O-CB 3.33Å; M732-H736 PolarHBondContact O-N 3.47Å; Y733-H736 PolarHBondContact O-N 3.4Å; H736-G738 PolarHBondContact O-N 3.03Å; H736-Y739 PolarHBondContact O-N 2.89Å; H736-Y739 VanDerWaalsContact O-N 3.15Å; H736-H740 AromaticContact CE1-NE2 3.62Å; H736-H740 AromaticContact NE2-NE2 3.43Å; H736-H740 PolarHBondContact NE2-NE2 2.99Å
737	M	88.2	Confident	85.8	Confident	32 Å²	32	71 Å²	71	16%	0.158	36%	0.359	C	S	.	.	H	α-helix	trans	-57.7	-27.2	170.8	-72.1	-68.6	99.4	0	0	112.8	C720 Y722 Y733 I735 Y739 H740	C720-M737 HydrophobicContact CB-CE 3.82Å; C720-M737 WeakPolarHBondContact SG-CE 3.43Å; Y722-M737 HydrophobicContact CD2-CE 4.29Å; Y733-M737 HydrophobicContact CD1-CG 4.13Å; Y733-M737 HydrophobicContact CD2-CG 4.49Å; Y733-M737 HydrophobicContact CE1-CG 3.69Å; Y733-M737 HydrophobicContact CE1-SD 4.43Å; Y733-M737 HydrophobicContact CE2-CE 4.13Å; Y733-M737 HydrophobicContact CE2-CG 4.09Å; Y733-M737 HydrophobicContact CE2-SD 4.26Å; Y733-M737 VanDerWaalsContact O-CG 3.31Å; Y733-M737 WeakPolarHBondContact O-CG 3.44Å; Y733-M737 PolarHBondContact O-N 3.24Å; I735-M737 PolarHBondContact O-N 3.23Å; M737-Y739 VanDerWaalsContact C-N 3.26Å; M737-Y739 PolarHBondContact O-N 3.44Å; M737-H740 PolarHBondContact O-N 3.29Å
738	G	87.3	Confident	85.9	Confident	29 Å²	29	69.4 Å²	69.4	30%	0.299	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.9	176.5	0	0	0	0	0	115.2	N734 I735 H736 N749	N734-G738 PolarHBondContact O-N 2.97Å; I735-G738 WeakPolarHBondContact O-CA 3.37Å; I735-G738 PolarHBondContact O-N 3.29Å; H736-G738 PolarHBondContact O-N 3.03Å; G738-N749 VanDerWaalsContact O-CB 3.31Å; G738-N749 WeakPolarHBondContact O-CB 3.35Å; G738-N749 PolarHBondContact O-ND2 2.89Å
739	Y	89	Confident	86.2	Confident	58 Å²	58	63.5 Å²	63.5	23%	0.227	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-19	177	-61.7	-82.2	0	0	0	113.8	I735 H736 M737 C748 N749 M750 M761 I765 H770	I735-Y739 HydrophobicContact CG2-CE2 4.1Å; I735-Y739 WeakPolarHBondContact O-CD2 3.3Å; H736-Y739 PolarHBondContact O-N 2.89Å; H736-Y739 VanDerWaalsContact O-N 3.15Å; M737-Y739 VanDerWaalsContact C-N 3.26Å; M737-Y739 PolarHBondContact O-N 3.44Å; Y739-C748 CarbonylContact O-C 3.56Å; Y739-C748 WeakPolarHBondContact O-CA 3.34Å; Y739-N749 WeakPolarHBondContact O-CB 3.1Å; Y739-N749 PolarHBondContact O-N 2.74Å; Y739-M750 HydrophobicContact CD1-CG 3.76Å; Y739-M750 HydrophobicContact CE1-CG 4.07Å; Y739-M761 WeakPolarHBondContact O-CE 3.44Å; Y739-I765 HydrophobicContact CD1-CG1 4.33Å; Y739-I765 HydrophobicContact CD1-CG2 4.29Å; Y739-I765 HydrophobicContact CD2-CG2 3.88Å; Y739-I765 HydrophobicContact CE1-CG2 4.48Å; Y739-I765 HydrophobicContact CE2-CG2 4.08Å; Y739-I765 HydrophobicContact CG-CD1 4.2Å; Y739-I765 HydrophobicContact CG-CG1 4.07Å; Y739-I765 HydrophobicContact CG-CG2 4Å; Y739-H770 AromaticContact CD1-ND1 3.73Å; Y739-H770 HydrophobicContact CE1-CB 4.17Å; Y739-H770 AromaticContact CE1-CG 3.88Å; Y739-H770 AromaticContact CE1-ND1 3.3Å; Y739-H770 VanDerWaalsContact CE1-ND1 3.3Å; Y739-H770 WeakPolarHBondContact CE1-ND1 3.49Å
740	H	89.1	Confident	86.3	Confident	15 Å²	15	63.8 Å²	63.8	7%	0.069	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-82.8	122.6	178.7	-67.2	-78	0	0	0	110.2	Y722 C723 H736 M737 P745	Y722-H740 HydrophobicContact CD2-CB 4.26Å; Y722-H740 AromaticContact CD2-CD2 3.98Å; Y722-H740 AromaticContact CD2-CG 3.74Å; Y722-H740 AromaticContact CD2-ND1 3.78Å; Y722-H740 HydrophobicContact CE2-CB 4.48Å; C723-H740 PolarHBondContact SG-CE1 2.92Å; H736-H740 AromaticContact CE1-NE2 3.62Å; H736-H740 AromaticContact NE2-NE2 3.43Å; H736-H740 PolarHBondContact NE2-NE2 2.99Å; M737-H740 PolarHBondContact O-N 3.29Å; H740-P745 PolarHBondContact ND1-O 3.37Å
741	A	85.9	Confident	86.4	Confident	16 Å²	16	64.7 Å²	64.7	13%	0.132	34%	0.336	C	S	.	.			trans	-70.8	148.2	178.8	0	0	0	0	0	111.5	N743 D744 K747 N749	A741-N743 VanDerWaalsContact C-N 3.28Å; A741-N743 PolarHBondContact O-N 2.74Å; A741-D744 CarbonylContact O-C 3.54Å; A741-D744 PolarHBondContact O-N 2.76Å; A741-K747 HydrophobicContact CB-CB 3.98Å; A741-K747 HydrophobicContact CB-CG 4.22Å; A741-K747 VanDerWaalsContact CB-O 3.26Å; A741-K747 WeakPolarHBondContact CB-O 3.39Å; A741-K747 PolarHBondContact N-O 2.85Å; A741-N749 HydrophobicContact CB-CB 4.29Å
742	F	82	Confident	86.4	Confident	156 Å²	156	62.5 Å²	62.5	68%	0.684	33%	0.33	S	S	*	.	S	Bend	trans	-63.3	-31.1	-176	-177.4	-103.6	0	0	0	114
743	N	79.7	Confident	86.3	Confident	153 Å²	153	61.9 Å²	61.9	82%	0.818	33%	0.326	S	S	*	.	S	Bend	trans	-89.9	-23.3	-176.9	-63.5	21.4	0	0	0	113.3	A741	A741-N743 VanDerWaalsContact C-N 3.28Å; A741-N743 PolarHBondContact O-N 2.74Å
744	D	81.6	Confident	86.1	Confident	53 Å²	53	63.2 Å²	63.2	28%	0.283	34%	0.344	S	S	.	.			trans	-153.6	111.8	-172.9	172	7.7	0	0	0	109.1	A741 F746 K747	A741-D744 CarbonylContact O-C 3.54Å; A741-D744 PolarHBondContact O-N 2.76Å; D744-F746 PolarHBondContact O-N 3.18Å; D744-F746 PolarHBondContact OD1-N 2.83Å; D744-K747 HydrophobicContact CB-CB 3.85Å; D744-K747 PolarHBondContact O-N 3.43Å; D744-K747 VanDerWaalsContact O-N 3.08Å; D744-K747 WeakPolarHBondContact OD2-CB 2.98Å
745	P	84.7	Confident	86	Confident	37 Å²	37	61.1 Å²	61.1	24%	0.24	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.4	179	-23.3	34.4	0	0	0	115.5	Y722 H740 M761	Y722-P745 HydrophobicContact CD1-CB 3.46Å; Y722-P745 VanDerWaalsContact CD1-CB 3.46Å; Y722-P745 HydrophobicContact CD1-CG 3.85Å; Y722-P745 HydrophobicContact CD2-CB 4.05Å; Y722-P745 HydrophobicContact CE1-CB 3.69Å; Y722-P745 HydrophobicContact CE1-CG 3.56Å; Y722-P745 HydrophobicContact CE2-CB 4.24Å; Y722-P745 HydrophobicContact CG-CB 3.66Å; Y722-P745 HydrophobicContact CG-CG 4.46Å; H740-P745 PolarHBondContact ND1-O 3.37Å; P745-M761 WeakPolarHBondContact O-CE 3.47Å
746	F	85.6	Confident	85.8	Confident	67 Å²	67	67.9 Å²	67.9	29%	0.294	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-4	175.9	-56	-74.6	0	0	0	112.7	D744 N755 R758 M761	D744-F746 PolarHBondContact O-N 3.18Å; D744-F746 PolarHBondContact OD1-N 2.83Å; F746-N755 HydrophobicContact CB-CB 4.46Å; F746-N755 VanDerWaalsContact CB-O 3.3Å; F746-N755 WeakPolarHBondContact CB-O 3.38Å; F746-N755 VanDerWaalsContact O-CB 3.31Å; F746-N755 WeakPolarHBondContact O-CB 3.45Å; F746-N755 PolarHBondContact O-N 3.42Å; F746-N755 PolarHBondContact O-ND2 2.88Å; F746-R758 HydrophobicContact CE1-CB 4.33Å; F746-M761 HydrophobicContact CD1-CB 4.32Å
747	K	88.2	Confident	85.5	Confident	89 Å²	89	72 Å²	72	39%	0.387	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-87.5	129.3	169.6	-172.3	175.4	-171.5	176	0	111.2	A741 D744 N749 G752 Q753 M761	A741-K747 HydrophobicContact CB-CB 3.98Å; A741-K747 HydrophobicContact CB-CG 4.22Å; A741-K747 VanDerWaalsContact CB-O 3.26Å; A741-K747 WeakPolarHBondContact CB-O 3.39Å; A741-K747 PolarHBondContact N-O 2.85Å; D744-K747 HydrophobicContact CB-CB 3.85Å; D744-K747 PolarHBondContact O-N 3.43Å; D744-K747 VanDerWaalsContact O-N 3.08Å; D744-K747 WeakPolarHBondContact OD2-CB 2.98Å; K747-N749 PolarHBondContact O-N 3.5Å; K747-G752 WeakPolarHBondContact CE-O 3.3Å; K747-G752 WeakPolarHBondContact CG-O 3.31Å; K747-Q753 WeakPolarHBondContact CA-O 3.31Å; K747-M761 WeakPolarHBondContact O-CE 3.12Å
748	C	88.3	Confident	85.3	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.007	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-68.6	122.2	172.8	-175.1	0	0	0	0	110.9	Y739 M750 C751 G752 Q753 H764	Y739-C748 CarbonylContact O-C 3.56Å; Y739-C748 WeakPolarHBondContact O-CA 3.34Å; C748-M750 PolarHBondContact O-N 3.23Å; C748-M750 PolarHBondContact SG-N 3.35Å; C748-M750 VanDerWaalsContact SG-N 3.43Å; C748-C751 VanDerWaalsContact SG-SG 3.67Å; C748-G752 WeakPolarHBondContact O-CA 3.49Å; C748-G752 PolarHBondContact O-N 3.33Å; C748-Q753 PolarHBondContact N-O 3.5Å; C748-H764 VanDerWaalsContact CB-NE2 3.31Å; C748-H764 WeakPolarHBondContact CB-NE2 3.46Å; C748-H764 PolarHBondContact SG-NE2 3.44Å
749	N	86.9	Confident	85.2	Confident	84 Å²	84	79.1 Å²	79.1	45%	0.449	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-20.6	177.2	-167	44.2	0	0	0	113	G738 Y739 A741 K747	G738-N749 VanDerWaalsContact O-CB 3.31Å; G738-N749 WeakPolarHBondContact O-CB 3.35Å; G738-N749 PolarHBondContact O-ND2 2.89Å; Y739-N749 WeakPolarHBondContact O-CB 3.1Å; Y739-N749 PolarHBondContact O-N 2.74Å; A741-N749 HydrophobicContact CB-CB 4.29Å; K747-N749 PolarHBondContact O-N 3.5Å
750	M	85	Confident	85.1	Confident	84 Å²	84	78.3 Å²	78.3	41%	0.414	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-39.8	-174.8	-60.7	-67.9	90.1	0	0	113.7	Y739 C748 H770	Y739-M750 HydrophobicContact CD1-CG 3.76Å; Y739-M750 HydrophobicContact CE1-CG 4.07Å; C748-M750 PolarHBondContact O-N 3.23Å; C748-M750 PolarHBondContact SG-N 3.35Å; C748-M750 VanDerWaalsContact SG-N 3.43Å; M750-H770 HydrophobicContact CB-CB 3.85Å; M750-H770 HydrophobicContact CG-CB 4.12Å
751	C	87.9	Confident	84.9	Confident	71 Å²	71	77.7 Å²	77.7	48%	0.48	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-6.4	177.6	69.7	0	0	0	0	114.4	C748 Q753 H764	C748-C751 VanDerWaalsContact SG-SG 3.67Å; C751-Q753 VanDerWaalsContact C-N 3.32Å; C751-Q753 PolarHBondContact O-N 3.38Å; C751-Q753 VanDerWaalsContact SG-CB 3.52Å; C751-Q753 PolarHBondContact SG-N 3.45Å; C751-H764 PolarHBondContact SG-CE1 3.24Å; C751-H764 PolarHBondContact SG-NE2 3.16Å
752	G	84.3	Confident	84.9	Confident	35 Å²	35	81.5 Å²	81.5	36%	0.361	41%	0.413	S	S	.	.			trans	81.1	-2.1	-178.5	0	0	0	0	0	116	K747 C748 S754	K747-G752 WeakPolarHBondContact CE-O 3.3Å; K747-G752 WeakPolarHBondContact CG-O 3.31Å; C748-G752 WeakPolarHBondContact O-CA 3.49Å; C748-G752 PolarHBondContact O-N 3.33Å; G752-S754 PolarHBondContact O-N 3.29Å
753	Q	84.7	Confident	85.2	Confident	96 Å²	96	77.5 Å²	77.5	45%	0.449	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-68.8	121.4	-176.5	-173.4	171.1	-0.7	0	0	112.5	K747 C748 C751 H764	K747-Q753 WeakPolarHBondContact CA-O 3.31Å; C748-Q753 PolarHBondContact N-O 3.5Å; C751-Q753 VanDerWaalsContact C-N 3.32Å; C751-Q753 PolarHBondContact O-N 3.38Å; C751-Q753 VanDerWaalsContact SG-CB 3.52Å; C751-Q753 PolarHBondContact SG-N 3.45Å; Q753-H764 PolarHBondContact OE1-CE1 3.18Å; Q753-H764 PolarHBondContact OE1-ND1 2.93Å
754	S	86.3	Confident	85.6	Confident	87 Å²	87	70.5 Å²	70.5	61%	0.608	36%	0.361	S	S	*	.	B	Isolated β-bridge	trans	-83.2	122	173.5	53.6	0	0	0	0	111.4	G752	G752-S754 PolarHBondContact O-N 3.29Å
755	N	85.9	Confident	85.8	Confident	26 Å²	26	69.3 Å²	69.3	14%	0.139	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-97.2	155.2	173.9	-70.8	-81.5	0	0	0	110.9	F746 S760 M761	F746-N755 HydrophobicContact CB-CB 4.46Å; F746-N755 VanDerWaalsContact CB-O 3.3Å; F746-N755 WeakPolarHBondContact CB-O 3.38Å; F746-N755 VanDerWaalsContact O-CB 3.31Å; F746-N755 WeakPolarHBondContact O-CB 3.45Å; F746-N755 PolarHBondContact O-N 3.42Å; F746-N755 PolarHBondContact O-ND2 2.88Å; N755-S760 VanDerWaalsContact OD1-C 3.32Å; N755-S760 WeakPolarHBondContact OD1-CB 3.45Å; N755-S760 PolarHBondContact OD1-O 3.28Å; N755-M761 HydrophobicContact CB-CB 3.97Å
756	R	83.4	Confident	85.9	Confident	227 Å²	227	71 Å²	71	86%	0.857	37%	0.366	S	S	*	.	S	Bend	trans	-83.6	-39.4	177.8	-63.8	-178.3	-177	172	0.7	112.4
757	D	82	Confident	85.9	Confident	96 Å²	96	76.5 Å²	76.5	51%	0.513	39%	0.385	S	S	.	.	S	Bend	trans	-125.9	161.7	-171.5	-63.6	-74.4	0	0	0	112.9	L759 S760 M761	D757-L759 PolarHBondContact O-N 3.36Å; D757-S760 PolarHBondContact O-N 3.42Å; D757-M761 PolarHBondContact O-N 3.26Å
758	R	84.1	Confident	85.6	Confident	90 Å²	90	75.7 Å²	75.7	34%	0.34	39%	0.385	S	S	.	.	H	α-helix	trans	-46.2	-48.5	164.8	161.5	171.6	-64.6	166.1	0	112.3	N721 Y722 L724 F746 M761 F762	N721-R758 PolarHBondContact O-NH2 3.34Å; Y722-R758 VanDerWaalsContact O-CZ 3.31Å; Y722-R758 PolarHBondContact O-NE 3.15Å; Y722-R758 PolarHBondContact O-NH2 2.86Å; L724-R758 VanDerWaalsContact CD1-NH1 3.29Å; F746-R758 HydrophobicContact CE1-CB 4.33Å; R758-M761 PolarHBondContact O-N 3.37Å; R758-F762 WeakPolarHBondContact O-CB 3.35Å; R758-F762 PolarHBondContact O-N 3.22Å
759	L	85	Confident	85.3	Confident	121 Å²	121	81.6 Å²	81.6	63%	0.634	42%	0.424	S	S	*	.	H	α-helix	trans	-69.5	-39.1	-176.3	-76.5	88.8	0	0	0	111.1	D757 F762 L763	D757-L759 PolarHBondContact O-N 3.36Å; L759-F762 PolarHBondContact O-N 3.19Å; L759-L763 VanDerWaalsContact O-CB 3.3Å; L759-L763 WeakPolarHBondContact O-CB 3.43Å; L759-L763 WeakPolarHBondContact O-CG 3.3Å; L759-L763 PolarHBondContact O-N 3.48Å
760	S	87.3	Confident	84.8	Confident	41 Å²	41	79.6 Å²	79.6	29%	0.287	41%	0.411	S	S	.	.	H	α-helix	trans	-60.6	-46.9	173.4	-54.2	0	0	0	0	111.5	N755 D757 F762 L763 H764	N755-S760 VanDerWaalsContact OD1-C 3.32Å; N755-S760 WeakPolarHBondContact OD1-CB 3.45Å; N755-S760 PolarHBondContact OD1-O 3.28Å; D757-S760 PolarHBondContact O-N 3.42Å; S760-F762 PolarHBondContact O-N 3.45Å; S760-L763 PolarHBondContact O-N 2.82Å; S760-H764 WeakPolarHBondContact O-CB 3.25Å; S760-H764 PolarHBondContact O-N 2.93Å
761	M	85	Confident	83.9	Confident	1 Å²	1	84 Å²	84	1%	0.005	45%	0.446	C	S	.	.	H	α-helix	trans	-62.2	-40.5	177.2	-176.2	55.7	159.6	0	0	112.3	Y739 P745 F746 K747 N755 D757 R758 I765	Y739-M761 WeakPolarHBondContact O-CE 3.44Å; P745-M761 WeakPolarHBondContact O-CE 3.47Å; F746-M761 HydrophobicContact CD1-CB 4.32Å; K747-M761 WeakPolarHBondContact O-CE 3.12Å; N755-M761 HydrophobicContact CB-CB 3.97Å; D757-M761 PolarHBondContact O-N 3.26Å; R758-M761 PolarHBondContact O-N 3.37Å; M761-I765 HydrophobicContact CE-CD1 3.97Å; M761-I765 HydrophobicContact CG-CD1 3.99Å; M761-I765 WeakPolarHBondContact O-CD1 3.23Å; M761-I765 VanDerWaalsContact O-CG1 3.25Å; M761-I765 WeakPolarHBondContact O-CG1 3.23Å; M761-I765 PolarHBondContact O-N 3.04Å; M761-I765 HydrophobicContact SD-CD1 3.93Å; M761-I765 HydrophobicContact SD-CG1 4.34Å
762	F	85.9	Confident	83.7	Confident	97 Å²	97	84.7 Å²	84.7	43%	0.425	45%	0.445	S	S	.	.	H	α-helix	trans	-67.2	-43.6	173.9	172.5	-117.5	0	0	0	112.9	I725 R758 L759 S760 H764 I765 S766	I725-F762 HydrophobicContact CD1-CD2 3.54Å; I725-F762 HydrophobicContact CD1-CE2 3.76Å; I725-F762 HydrophobicContact CG1-CD2 4.47Å; R758-F762 WeakPolarHBondContact O-CB 3.35Å; R758-F762 PolarHBondContact O-N 3.22Å; L759-F762 PolarHBondContact O-N 3.19Å; S760-F762 PolarHBondContact O-N 3.45Å; F762-H764 VanDerWaalsContact C-N 3.31Å; F762-H764 PolarHBondContact O-N 3.12Å; F762-I765 PolarHBondContact O-N 3.04Å; F762-S766 WeakPolarHBondContact O-CB 3.44Å; F762-S766 PolarHBondContact O-N 3.3Å; F762-S766 PolarHBondContact O-OG 3.06Å
763	L	86.9	Confident	83.7	Confident	71 Å²	71	87.3 Å²	87.3	37%	0.372	45%	0.449	S	S	.	.	H	α-helix	trans	-62.8	-38.7	176.8	-74.5	168.7	0	0	0	111.4	L759 S760 S766 R767	L759-L763 VanDerWaalsContact O-CB 3.3Å; L759-L763 WeakPolarHBondContact O-CB 3.43Å; L759-L763 WeakPolarHBondContact O-CG 3.3Å; L759-L763 PolarHBondContact O-N 3.48Å; S760-L763 PolarHBondContact O-N 2.82Å; L763-S766 WeakPolarHBondContact CA-OG 3.15Å; L763-S766 PolarHBondContact O-N 2.69Å; L763-S766 PolarHBondContact O-OG 3.49Å; L763-R767 VanDerWaalsContact O-CB 3.23Å; L763-R767 WeakPolarHBondContact O-CB 3.03Å; L763-R767 VanDerWaalsContact O-CG 3.23Å; L763-R767 WeakPolarHBondContact O-CG 3.2Å; L763-R767 PolarHBondContact O-N 2.7Å
764	H	88.8	Confident	83.6	Confident	7 Å²	7	86.8 Å²	86.8	3%	0.032	45%	0.449	C	S	.	.	H	α-helix	trans	-60.3	-56.3	172.4	174.9	61.4	0	0	0	111.5	C748 C751 Q753 S760 F762 S766 R767 D768 H770	C748-H764 VanDerWaalsContact CB-NE2 3.31Å; C748-H764 WeakPolarHBondContact CB-NE2 3.46Å; C748-H764 PolarHBondContact SG-NE2 3.44Å; C751-H764 PolarHBondContact SG-CE1 3.24Å; C751-H764 PolarHBondContact SG-NE2 3.16Å; Q753-H764 PolarHBondContact OE1-CE1 3.18Å; Q753-H764 PolarHBondContact OE1-ND1 2.93Å; S760-H764 WeakPolarHBondContact O-CB 3.25Å; S760-H764 PolarHBondContact O-N 2.93Å; F762-H764 VanDerWaalsContact C-N 3.31Å; F762-H764 PolarHBondContact O-N 3.12Å; H764-S766 PolarHBondContact O-N 2.97Å; H764-S766 VanDerWaalsContact O-N 3.12Å; H764-R767 PolarHBondContact O-N 3.46Å; H764-D768 IonicContact CE1-OD2 2.78Å; H764-D768 PolarHBondContact CE1-OD2 2.96Å; H764-D768 IonicContact CG-OD2 2.67Å; H764-D768 IonicContact ND1-OD2 3.93Å; H764-D768 PolarHBondContact ND1-OD2 3.37Å; H764-D768 PolarHBondContact O-N 2.98Å; H764-H770 AromaticContact CE1-NE2 3.49Å; H764-H770 PolarHBondContact CE1-NE2 3.23Å; H764-H770 AromaticContact NE2-CE1 3.66Å; H764-H770 AromaticContact NE2-NE2 3.06Å; H764-H770 PolarHBondContact NE2-NE2 3.46Å
765	I	86.4	Confident	83.4	Confident	28 Å²	28	86.8 Å²	86.8	14%	0.144	44%	0.44	C	S	.	.	H	α-helix	trans	-61.2	-24	-179.5	-65.9	164.8	0	0	0	112.8	Y739 M761 F762	Y739-I765 HydrophobicContact CD1-CG1 4.33Å; Y739-I765 HydrophobicContact CD1-CG2 4.29Å; Y739-I765 HydrophobicContact CD2-CG2 3.88Å; Y739-I765 HydrophobicContact CE1-CG2 4.48Å; Y739-I765 HydrophobicContact CE2-CG2 4.08Å; Y739-I765 HydrophobicContact CG-CD1 4.2Å; Y739-I765 HydrophobicContact CG-CG1 4.07Å; Y739-I765 HydrophobicContact CG-CG2 4Å; M761-I765 HydrophobicContact CE-CD1 3.97Å; M761-I765 HydrophobicContact CG-CD1 3.99Å; M761-I765 WeakPolarHBondContact O-CD1 3.23Å; M761-I765 VanDerWaalsContact O-CG1 3.25Å; M761-I765 WeakPolarHBondContact O-CG1 3.23Å; M761-I765 PolarHBondContact O-N 3.04Å; M761-I765 HydrophobicContact SD-CD1 3.93Å; M761-I765 HydrophobicContact SD-CG1 4.34Å; F762-I765 PolarHBondContact O-N 3.04Å
766	S	85.2	Confident	83.3	Confident	71 Å²	71	90.6 Å²	90.6	50%	0.497	46%	0.458	S	S	.	.	H	α-helix	trans	-98.9	-9.7	-178.8	56.5	0	0	0	0	115.2	F762 L763 H764	F762-S766 WeakPolarHBondContact O-CB 3.44Å; F762-S766 PolarHBondContact O-N 3.3Å; F762-S766 PolarHBondContact O-OG 3.06Å; L763-S766 WeakPolarHBondContact CA-OG 3.15Å; L763-S766 PolarHBondContact O-N 2.69Å; L763-S766 PolarHBondContact O-OG 3.49Å; H764-S766 PolarHBondContact O-N 2.97Å; H764-S766 VanDerWaalsContact O-N 3.12Å
767	R	86.5	Confident	83.3	Confident	184 Å²	184	81.5 Å²	81.5	69%	0.694	43%	0.432	S	S	*	.	H	α-helix	trans	-115.4	-42.2	-179.6	-68.5	176.2	173.9	-170	-2.2	113.3	L763 H764	L763-R767 VanDerWaalsContact O-CB 3.23Å; L763-R767 WeakPolarHBondContact O-CB 3.03Å; L763-R767 VanDerWaalsContact O-CG 3.23Å; L763-R767 WeakPolarHBondContact O-CG 3.2Å; L763-R767 PolarHBondContact O-N 2.7Å; H764-R767 PolarHBondContact O-N 3.46Å
768	D	82.7	Confident	83.4	Confident	71 Å²	71	80.4 Å²	80.4	38%	0.38	43%	0.426	S	S	.	.	S	Bend	trans	-89.6	128.3	-170.7	-60.6	-49.9	0	0	0	110.4	H764 H770	H764-D768 IonicContact CE1-OD2 2.78Å; H764-D768 PolarHBondContact CE1-OD2 2.96Å; H764-D768 IonicContact CG-OD2 2.67Å; H764-D768 IonicContact ND1-OD2 3.93Å; H764-D768 PolarHBondContact ND1-OD2 3.37Å; H764-D768 PolarHBondContact O-N 2.98Å; D768-H770 PolarHBondContact O-CE1 3.3Å; D768-H770 PolarHBondContact O-ND1 3.3Å
769	P	80.6	Confident	83.3	Confident	126 Å²	126	79.7 Å²	79.7	82%	0.818	43%	0.433	S	S	*	.			trans	-76.7	128.2	-178.8	29.7	-33.6	0	0	0	111.6
770	H	77.5	Confident	83.2	Confident	42 Å²	42	76.3 Å²	76.3	19%	0.194	42%	0.416	C	S	.	.			trans	-104.3	150.9	173.6	-54.2	105.3	0	0	0	111.5	Y739 M750 H764 D768	Y739-H770 AromaticContact CD1-ND1 3.73Å; Y739-H770 HydrophobicContact CE1-CB 4.17Å; Y739-H770 AromaticContact CE1-CG 3.88Å; Y739-H770 AromaticContact CE1-ND1 3.3Å; Y739-H770 VanDerWaalsContact CE1-ND1 3.3Å; Y739-H770 WeakPolarHBondContact CE1-ND1 3.49Å; M750-H770 HydrophobicContact CB-CB 3.85Å; M750-H770 HydrophobicContact CG-CB 4.12Å; H764-H770 AromaticContact CE1-NE2 3.49Å; H764-H770 PolarHBondContact CE1-NE2 3.23Å; H764-H770 AromaticContact NE2-CE1 3.66Å; H764-H770 AromaticContact NE2-NE2 3.06Å; H764-H770 PolarHBondContact NE2-NE2 3.46Å; D768-H770 PolarHBondContact O-CE1 3.3Å; D768-H770 PolarHBondContact O-ND1 3.3Å
771	P	65.6	Low	82.8	Confident	176 Å²	176	79.5 Å²	79.5	100%	1.143	43%	0.428	S	S	*	.			trans	-75.3	0	-176.5	31.8	-36.9	0	0	0	114.9

Retrieved 771 of 771 residues in 1172.7 ms (Link to these results)

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