A0A087XTL0_POEFO Loading...

ATP-dependent zinc metalloprotease YME1L1

AlphaFold DB , UniProt , Accession A0A087XTL0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 722 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	27	Very low	233 Å²	233	160.4 Å²	160.4	100%	1.148	85%	0.847	S	S	*	*				0	111.9	0	-69.3	178.7	174.5	0	0	106.4
2	F	27.4	Very low	27.3	Very low	203 Å²	203	161.7 Å²	161.7	89%	0.89	85%	0.845	S	S	*	*			cis	-133.8	145.8	19.4	-88.4	-99	0	0	0	110.2
3	S	22	Very low	27.6	Very low	107 Å²	107	162.5 Å²	162.5	75%	0.748	85%	0.845	S	S	*	*			trans	-77.6	138	160.4	57.7	0	0	0	0	109.8
4	L	26	Very low	28.2	Very low	168 Å²	168	159.3 Å²	159.3	88%	0.88	84%	0.836	S	S	*	*			trans	-131.3	111	151	-91.1	166.5	0	0	0	108.3
5	S	25.7	Very low	28.8	Very low	110 Å²	110	154.3 Å²	154.3	77%	0.769	81%	0.814	S	S	*	*			trans	-71.1	118.1	166.9	46.9	0	0	0	0	109.6
6	M	25.5	Very low	29.8	Very low	163 Å²	163	148.7 Å²	148.7	80%	0.803	79%	0.789	S	S	*	*			trans	-128.2	103.6	154.2	-75.7	-164	81.7	0	0	108.5	F8	M6-F8 PolarHBondContact O-N 2.69Å
7	S	26.4	Very low	30.4	Very low	115 Å²	115	147.8 Å²	147.8	80%	0.804	78%	0.784	S	S	*	*			trans	-65.7	113.2	163.5	47.1	0	0	0	0	109.2
8	F	27.1	Very low	31.1	Very low	185 Å²	185	143.5 Å²	143.5	81%	0.811	77%	0.768	S	S	*	*			trans	-102.9	103.6	163	-116.4	-92.5	0	0	0	107.8	M6	M6-F8 PolarHBondContact O-N 2.69Å
9	Q	25.5	Very low	32.1	Very low	174 Å²	174	142.5 Å²	142.5	81%	0.813	76%	0.758	S	S	*	*			trans	-75.4	127.4	163.6	-81	175.9	-45.9	0	0	108	Q11	Q9-Q11 PolarHBondContact O-N 3.01Å
10	P	29.7	Very low	32.8	Very low	120 Å²	120	138.7 Å²	138.7	78%	0.779	74%	0.74	S	S	*	*			trans	-71.9	113.5	165.8	27.2	-28.2	0	0	0	108.6	Q12	P10-Q12 PolarHBondContact O-N 3.03Å; P10-Q12 VanDerWaalsContact O-N 3.1Å
11	Q	28.1	Very low	33.5	Very low	186 Å²	186	136.3 Å²	136.3	87%	0.869	73%	0.727	S	S	*	*			trans	-62.6	108	167.1	-77	-179.7	-24.1	0	0	108.6	Q9 M13	Q9-Q11 PolarHBondContact O-N 3.01Å; Q11-M13 PolarHBondContact O-N 3.08Å
12	Q	31.3	Very low	34.2	Very low	176 Å²	176	130.9 Å²	130.9	82%	0.822	70%	0.703	S	S	*	*			trans	-68.9	105	163.8	-77.1	177.2	-21.4	0	0	108.1	P10 V14	P10-Q12 PolarHBondContact O-N 3.03Å; P10-Q12 VanDerWaalsContact O-N 3.1Å; Q12-V14 HydrophobicContact CB-CG2 4.44Å; Q12-V14 PolarHBondContact O-N 3.45Å; Q12-V14 VanDerWaalsContact O-N 3.08Å
13	M	30.6	Very low	35.3	Very low	173 Å²	173	124 Å²	124	85%	0.852	68%	0.683	S	S	*	*			trans	-71.5	96.9	163	-92.5	-178.1	70.5	0	0	108.4	Q11	Q11-M13 PolarHBondContact O-N 3.08Å
14	V	35.8	Very low	36.3	Very low	117 Å²	117	123 Å²	123	71%	0.709	67%	0.669	S	S	*	*			trans	-85.1	110.7	166.4	-176.9	0	0	0	0	107.1	Q12 P16	Q12-V14 HydrophobicContact CB-CG2 4.44Å; Q12-V14 PolarHBondContact O-N 3.45Å; Q12-V14 VanDerWaalsContact O-N 3.08Å; V14-P16 WeakPolarHBondContact O-CD 3.4Å
15	V	37.9	Very low	37.4	Very low	84 Å²	84	121.1 Å²	121.1	51%	0.509	66%	0.656	S	S	.	*			trans	-78.1	119	170.1	179.6	0	0	0	0	107.7	L17 Q19	V15-L17 PolarHBondContact O-N 3Å; V15-Q19 HydrophobicContact CG1-CB 4.42Å
16	P	44.1	Very low	38.5	Very low	65 Å²	65	119.8 Å²	119.8	42%	0.422	65%	0.646	S	S	.	*			trans	-67.9	135	179.7	24.7	-30.2	0	0	0	110.7	V14 S18 Q19	V14-P16 WeakPolarHBondContact O-CD 3.4Å; P16-S18 PolarHBondContact O-N 2.93Å; P16-Q19 HydrophobicContact CG-CG 4.43Å; P16-Q19 PolarHBondContact O-N 3.35Å
17	L	39.8	Very low	39.6	Very low	134 Å²	134	116 Å²	116	70%	0.702	63%	0.628	S	S	*	*	H	α-helix	trans	-52.6	-21.8	-178.4	-128.7	144	0	0	0	113.7	V15 V20 L21	V15-L17 PolarHBondContact O-N 3Å; L17-V20 PolarHBondContact O-N 3.22Å; L17-L21 HydrophobicContact CD2-CD1 4.11Å; L17-L21 HydrophobicContact CD2-CG 4.48Å; L17-L21 PolarHBondContact O-N 3.3Å
18	S	44.2	Very low	40.3	Very low	70 Å²	70	118.7 Å²	118.7	49%	0.49	63%	0.626	S	S	.	*	H	α-helix	trans	-65.9	-31.9	175	54.5	0	0	0	0	114	P16 N22	P16-S18 PolarHBondContact O-N 2.93Å; S18-N22 PolarHBondContact O-N 3.41Å; S18-N22 VanDerWaalsContact O-N 3.11Å
19	Q	49.1	Very low	40.9	Very low	125 Å²	125	114.8 Å²	114.8	58%	0.584	62%	0.621	S	S	*	*	H	α-helix	trans	-73.3	-33.2	176	-75	-174.1	-17.5	0	0	111.9	V15 P16 A23	V15-Q19 HydrophobicContact CG1-CB 4.42Å; P16-Q19 HydrophobicContact CG-CG 4.43Å; P16-Q19 PolarHBondContact O-N 3.35Å; Q19-A23 PolarHBondContact O-N 3Å
20	V	45.9	Very low	41.7	Very low	65 Å²	65	111.6 Å²	111.6	39%	0.394	62%	0.618	S	S	.	*	H	α-helix	trans	-70.9	-41.1	175.5	-179.8	0	0	0	0	110.9	L17 A23 L24	L17-V20 PolarHBondContact O-N 3.22Å; V20-A23 PolarHBondContact O-N 3.1Å; V20-L24 HydrophobicContact CG1-CD1 4.19Å; V20-L24 PolarHBondContact O-N 3.32Å
21	L	48.8	Very low	42.1	Very low	89 Å²	89	109 Å²	109	47%	0.466	61%	0.607	S	S	.	*	H	α-helix	trans	-66.3	-37.2	176.5	-80.8	162.6	0	0	0	113.1	L17 L24 H25	L17-L21 HydrophobicContact CD2-CD1 4.11Å; L17-L21 HydrophobicContact CD2-CG 4.48Å; L17-L21 PolarHBondContact O-N 3.3Å; L21-L24 PolarHBondContact O-N 3.08Å; L21-H25 PolarHBondContact O-N 3.18Å
22	N	47.9	Very low	42.3	Very low	120 Å²	120	106.6 Å²	106.6	64%	0.642	61%	0.605	S	S	*	*	H	α-helix	trans	-68.1	-34.8	176.5	-83.3	-12	0	0	0	113	S18 S26	S18-N22 PolarHBondContact O-N 3.41Å; S18-N22 VanDerWaalsContact O-N 3.11Å; N22-S26 PolarHBondContact O-N 2.97Å
23	A	48.9	Very low	42.2	Very low	58 Å²	58	102.4 Å²	102.4	48%	0.479	60%	0.601	S	S	.	*	H	α-helix	trans	-67.1	-39.2	173.7	0	0	0	0	0	112	Q19 V20 S26	Q19-A23 PolarHBondContact O-N 3Å; V20-A23 PolarHBondContact O-N 3.1Å; A23-S26 PolarHBondContact O-N 2.98Å
24	L	44.9	Very low	42.1	Very low	86 Å²	86	99.7 Å²	99.7	45%	0.45	60%	0.599	S	S	.	*	H	α-helix	trans	-69.6	-34.7	177.8	-76.8	163.1	0	0	0	113.1	V20 L21 S26 L27	V20-L24 HydrophobicContact CG1-CD1 4.19Å; V20-L24 PolarHBondContact O-N 3.32Å; L21-L24 PolarHBondContact O-N 3.08Å; L24-S26 VanDerWaalsContact C-N 3.34Å; L24-S26 PolarHBondContact O-N 2.95Å; L24-L27 PolarHBondContact O-N 3.29Å
25	H	48.6	Very low	41.7	Very low	129 Å²	129	100.5 Å²	100.5	60%	0.597	60%	0.604	S	S	*	*	H	α-helix	trans	-69.3	-29	176.3	-99.2	-84	0	0	0	113.5	L21 L27 K28	L21-H25 PolarHBondContact O-N 3.18Å; H25-L27 VanDerWaalsContact C-N 3.3Å; H25-L27 PolarHBondContact O-N 3.47Å; H25-K28 PolarHBondContact O-N 3.46Å
26	S	48.1	Very low	41.2	Very low	82 Å²	82	105 Å²	105	57%	0.573	62%	0.619	S	S	*	*	H	α-helix	trans	-71	-21.6	177.8	130.2	0	0	0	0	113.6	N22 A23 L24 S29	N22-S26 PolarHBondContact O-N 2.97Å; A23-S26 PolarHBondContact O-N 2.98Å; L24-S26 VanDerWaalsContact C-N 3.34Å; L24-S26 PolarHBondContact O-N 2.95Å; S26-S29 PolarHBondContact O-OG 3.2Å
27	L	48.3	Very low	40.4	Very low	82 Å²	82	106.9 Å²	106.9	43%	0.429	63%	0.634	S	S	.	*	H	α-helix	trans	-84.5	-25.4	177.6	-90.4	135.8	0	0	0	112.7	L24 H25 S29 S30	L24-L27 PolarHBondContact O-N 3.29Å; H25-L27 VanDerWaalsContact C-N 3.3Å; H25-L27 PolarHBondContact O-N 3.47Å; L27-S29 VanDerWaalsContact C-N 3.31Å; L27-S29 PolarHBondContact O-N 3.28Å; L27-S30 PolarHBondContact O-N 3.33Å
28	K	41.3	Very low	39.8	Very low	172 Å²	172	107.3 Å²	107.3	75%	0.748	64%	0.636	S	S	*	*	H	α-helix	trans	-73.9	-18.9	-177.5	-150.2	174.4	-174.3	179.4	0	113.6	H25 S30	H25-K28 PolarHBondContact O-N 3.46Å; K28-S30 VanDerWaalsContact C-N 3.35Å
29	S	39.2	Very low	38.9	Very low	103 Å²	103	112 Å²	112	72%	0.72	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-0.7	178.2	57.7	0	0	0	0	114.4	S26 L27	S26-S29 PolarHBondContact O-OG 3.2Å; L27-S29 VanDerWaalsContact C-N 3.31Å; L27-S29 PolarHBondContact O-N 3.28Å
30	S	42.8	Very low	37.8	Very low	107 Å²	107	114.7 Å²	114.7	75%	0.748	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	5	-174.5	-165.6	0	0	0	0	114.6	L27 K28	L27-S30 PolarHBondContact O-N 3.33Å; K28-S30 VanDerWaalsContact C-N 3.35Å
31	A	37.7	Very low	36.9	Very low	65 Å²	65	118.3 Å²	118.3	54%	0.537	68%	0.677	S	S	.	*			trans	-124.9	67.1	-176.1	0	0	0	0	0	112.4
32	T	32.8	Very low	35.7	Very low	137 Å²	137	124.5 Å²	124.5	84%	0.84	70%	0.7	S	S	*	*			trans	-133	86.4	160	52.1	0	0	0	0	109.3
33	A	29.2	Very low	34.6	Very low	88 Å²	88	129.7 Å²	129.7	73%	0.727	71%	0.711	S	S	*	*			trans	-170.5	108.7	157.5	0	0	0	0	0	112.3
34	S	28.1	Very low	33.4	Very low	116 Å²	116	136.5 Å²	136.5	81%	0.811	73%	0.733	S	S	*	*			trans	70.6	141	139	87.9	0	0	0	0	117.6
35	V	29.3	Very low	32.5	Very low	134 Å²	134	139.8 Å²	139.8	81%	0.812	75%	0.746	S	S	*	*			cis	-159.7	158	10	170.7	0	0	0	0	109.6
36	H	27	Very low	31.4	Very low	178 Å²	178	141.4 Å²	141.4	82%	0.824	75%	0.753	S	S	*	*			trans	-43.7	165.8	170.9	-101	-68.2	0	0	0	122
37	S	27	Very low	30.3	Very low	105 Å²	105	146.2 Å²	146.2	73%	0.734	76%	0.764	S	S	*	*			trans	99.9	153.4	150	82.6	0	0	0	0	117.3
38	L	26.1	Very low	29.4	Very low	143 Å²	143	147.8 Å²	147.8	75%	0.749	78%	0.782	S	S	*	*			cis	-169.9	143.3	-17.8	-112.4	166.4	0	0	0	106.7
39	H	26.8	Very low	28.8	Very low	168 Å²	168	149.8 Å²	149.8	78%	0.778	79%	0.786	S	S	*	*			trans	52.1	156.5	151.9	-86	-44.7	0	0	0	120.8
40	K	26.3	Very low	28.4	Very low	181 Å²	181	153.2 Å²	153.2	79%	0.787	80%	0.795	S	S	*	*			cis	-162.9	164.4	10.7	-146.5	171.7	177.3	175.8	0	109.3
41	D	25.7	Very low	27.7	Very low	141 Å²	141	158.2 Å²	158.2	75%	0.754	80%	0.804	S	S	*	*			trans	-53.9	156.2	-177.1	-58.1	-66.6	0	0	0	118.6
42	F	24.4	Very low	27.5	Very low	219 Å²	219	161.5 Å²	161.5	96%	0.961	81%	0.808	S	S	*	*				-165.4	127.3	122.4	-113.5	-81.1	0	0	0	111.9
43	R	24.1	Very low	27.5	Very low	230 Å²	230	161.1 Å²	161.1	87%	0.868	81%	0.808	S	S	*	*			trans	-88	144.5	170.6	-91.5	-176.5	174.4	-179	-1	110.7
44	Q	24.6	Very low	28	Very low	200 Å²	200	162.2 Å²	162.2	94%	0.935	81%	0.81	S	S	*	*			trans	-149.4	130	150	-133.9	173.7	6.2	0	0	110.7
45	E	25.2	Very low	28.8	Very low	155 Å²	155	161.3 Å²	161.3	72%	0.724	80%	0.799	S	S	*	*			trans	-79.8	138.1	-178.4	-66.8	172.3	145.8	0	0	112
46	H	26.4	Very low	29.7	Very low	164 Å²	164	157.2 Å²	157.2	76%	0.759	78%	0.777	S	S	*	*				152.6	146.5	117.6	-94.5	-61.8	0	0	0	114
47	K	25.3	Very low	30.8	Very low	183 Å²	183	151.1 Å²	151.1	80%	0.796	75%	0.75	S	S	*	*			trans	92.6	108.8	154.5	-73.8	166.3	-176.7	-177.7	0	118.3
48	S	29.3	Very low	32	Very low	115 Å²	115	156 Å²	156	80%	0.804	75%	0.752	S	S	*	*			trans	-67.7	116.4	175.5	47.7	0	0	0	0	113
49	Y	28.7	Very low	33.1	Very low	213 Å²	213	155.2 Å²	155.2	84%	0.835	75%	0.749	S	S	*	*			trans	-131.6	128.9	154.1	-76.6	-83.4	0	0	0	107.9
50	L	29.5	Very low	34.2	Very low	175 Å²	175	152.1 Å²	152.1	92%	0.916	74%	0.738	S	S	*	*			trans	17.5	104.1	163.7	-66.9	156.3	0	0	0	116.9	E52	L50-E52 PolarHBondContact O-N 3.11Å
51	K	29.3	Very low	35.3	Very low	212 Å²	212	146.6 Å²	146.6	92%	0.922	73%	0.732	S	S	*	*			trans	-79.1	109.7	170.5	-97.7	-178.2	171.9	-178.4	0	110.5
52	E	32.1	Very low	36.8	Very low	134 Å²	134	143.5 Å²	143.5	63%	0.626	72%	0.715	S	S	*	*			trans	-64.6	145.2	152.7	-72.9	179.8	172	0	0	109	L50 S54 R132	L50-E52 PolarHBondContact O-N 3.11Å; E52-S54 PolarHBondContact O-N 3.17Å; E52-R132 IonicContact OE1-NH2 3.55Å; E52-R132 IonicContact OE2-CZ 2.73Å; E52-R132 IonicContact OE2-NH2 3.83Å; E52-R132 PolarHBondContact OE2-NH2 3.16Å
53	P	34.1	Very low	38.3	Very low	130 Å²	130	137.2 Å²	137.2	84%	0.844	70%	0.698	S	S	*	*			trans	-69.1	103.9	178.4	27.5	-32.1	0	0	0	110.2	V55	P53-V55 PolarHBondContact O-N 3.13Å
54	S	38.5	Very low	39.7	Very low	111 Å²	111	133.9 Å²	133.9	78%	0.776	69%	0.692	S	S	*	*			trans	-87.4	103.9	174.1	61.7	0	0	0	0	109.9	E52	E52-S54 PolarHBondContact O-N 3.17Å
55	V	45.7	Very low	41.2	Very low	96 Å²	96	126.5 Å²	126.5	58%	0.582	66%	0.661	S	S	*	*			trans	-77	122.3	167.8	-178	0	0	0	0	108	P53 L60	P53-V55 PolarHBondContact O-N 3.13Å; V55-L60 HydrophobicContact CG1-CD1 3.92Å; V55-L60 HydrophobicContact CG1-CG 4.05Å
56	S	47.1	Very low	42.7	Very low	48 Å²	48	125.6 Å²	125.6	34%	0.336	66%	0.657	S	S	.	*			trans	-90.2	146.6	176.5	88.9	0	0	0	0	110.7	R58 D59	S56-R58 PolarHBondContact O-N 3.48Å; S56-R58 VanDerWaalsContact O-N 3.09Å; S56-R58 PolarHBondContact OG-N 3.28Å; S56-D59 WeakPolarHBondContact CB-OD2 3.37Å; S56-D59 PolarHBondContact N-OD2 3.09Å; S56-D59 PolarHBondContact O-N 3.17Å; S56-D59 PolarHBondContact OG-N 3.39Å; S56-D59 PolarHBondContact OG-OD2 2.98Å
57	L	50.3	Low	44	Very low	51 Å²	51	119.6 Å²	119.6	27%	0.267	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.5	-18.3	175.4	-74.5	165.5	0	0	0	113.1	L62 L70 L131	L57-L62 CarbonylContact O-C 3.53Å; L57-L62 PolarHBondContact O-N 3.47Å; L57-L62 VanDerWaalsContact O-N 3.1Å; L57-L70 HydrophobicContact CD1-CD1 4.2Å; L57-L70 HydrophobicContact CD2-CD1 4.24Å; L57-L131 HydrophobicContact CD1-CD1 4.43Å; L57-L131 HydrophobicContact CD2-CD1 3.65Å; L57-L131 HydrophobicContact CD2-CG 4.28Å; L57-L131 HydrophobicContact CG-CD1 3.8Å
58	R	51.7	Low	45.5	Very low	207 Å²	207	114.8 Å²	114.8	78%	0.781	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-38.5	171.3	-84.4	-177.1	179	-178.4	-0.5	112.3	S56 L60 G61	S56-R58 PolarHBondContact O-N 3.48Å; S56-R58 VanDerWaalsContact O-N 3.09Å; S56-R58 PolarHBondContact OG-N 3.28Å; R58-L60 PolarHBondContact O-N 3.31Å; R58-G61 PolarHBondContact O-N 3.23Å; R58-G61 VanDerWaalsContact O-N 3.12Å
59	D	49.4	Very low	46.7	Very low	126 Å²	126	113 Å²	113	67%	0.674	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-18	-177.6	-54.3	-44	0	0	0	111.9	S56	S56-D59 WeakPolarHBondContact CB-OD2 3.37Å; S56-D59 PolarHBondContact N-OD2 3.09Å; S56-D59 PolarHBondContact O-N 3.17Å; S56-D59 PolarHBondContact OG-N 3.39Å; S56-D59 PolarHBondContact OG-OD2 2.98Å
60	L	50.7	Low	48	Very low	104 Å²	104	104.4 Å²	104.4	55%	0.545	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96	3.3	175.3	-65.1	170.9	0	0	0	113.5	V55 R58 L62	V55-L60 HydrophobicContact CG1-CD1 3.92Å; V55-L60 HydrophobicContact CG1-CG 4.05Å; R58-L60 PolarHBondContact O-N 3.31Å; L60-L62 VanDerWaalsContact C-N 3.27Å; L60-L62 HydrophobicContact CB-CD1 4.41Å; L60-L62 PolarHBondContact O-N 3.03Å
61	G	49.8	Very low	49	Very low	65 Å²	65	101 Å²	101	67%	0.67	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	71	16.7	179.8	0	0	0	0	0	114.9	R58	R58-G61 PolarHBondContact O-N 3.23Å; R58-G61 VanDerWaalsContact O-N 3.12Å
62	L	55.9	Low	50.2	Low	76 Å²	76	95.6 Å²	95.6	40%	0.398	54%	0.537	S	S	.	.			trans	-109.8	38.6	-175.1	-65.3	171.4	0	0	0	111.9	L57 L60 E64 V65	L57-L62 CarbonylContact O-C 3.53Å; L57-L62 PolarHBondContact O-N 3.47Å; L57-L62 VanDerWaalsContact O-N 3.1Å; L60-L62 VanDerWaalsContact C-N 3.27Å; L60-L62 HydrophobicContact CB-CD1 4.41Å; L60-L62 PolarHBondContact O-N 3.03Å; L62-E64 PolarHBondContact O-N 3.22Å; L62-V65 HydrophobicContact CB-CG2 4.44Å; L62-V65 HydrophobicContact CD2-CG2 4.38Å
63	S	56.4	Low	51.3	Low	86 Å²	86	92.4 Å²	92.4	60%	0.601	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-12.7	-174.7	50.6	0	0	0	0	115.1
64	E	54.5	Low	52.4	Low	160 Å²	160	88.5 Å²	88.5	75%	0.748	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-0.7	-174.1	-63.5	-174.7	169.9	0	0	114.1	L62	L62-E64 PolarHBondContact O-N 3.22Å
65	V	54.9	Low	53.1	Low	45 Å²	45	87 Å²	87	27%	0.273	49%	0.487	S	S	.	.			trans	-89.2	121.1	-176.5	-176	0	0	0	0	110.5	L62 Q69 L70	L62-V65 HydrophobicContact CB-CG2 4.44Å; L62-V65 HydrophobicContact CD2-CG2 4.38Å; V65-Q69 HydrophobicContact CG1-CB 3.89Å; V65-L70 HydrophobicContact CG1-CD1 4.46Å; V65-L70 HydrophobicContact CG1-CG 4.35Å
66	Q	57.7	Low	53.6	Low	137 Å²	137	91.8 Å²	91.8	64%	0.64	49%	0.494	S	S	*	.			trans	-75.3	149.1	174.7	-70.4	-176.4	2.2	0	0	111.1	S68 Q69 L70	Q66-S68 PolarHBondContact O-N 2.87Å; Q66-Q69 WeakPolarHBondContact O-CB 3.28Å; Q66-Q69 PolarHBondContact O-N 3.05Å; Q66-L70 PolarHBondContact O-N 2.97Å
67	G	54.2	Low	53.7	Low	38 Å²	38	95.1 Å²	95.1	39%	0.392	51%	0.508	S	S	.	.	H	α-helix	trans	-57.7	-24.7	-175.5	0	0	0	0	0	115.4
68	S	55.3	Low	53.6	Low	82 Å²	82	95.9 Å²	95.9	57%	0.573	51%	0.512	S	S	*	.	H	α-helix	trans	-69.6	-35.5	173.5	47	0	0	0	0	113.1	Q66 E72	Q66-S68 PolarHBondContact O-N 2.87Å; S68-E72 PolarHBondContact O-N 3.49Å
69	Q	54.8	Low	53.1	Low	77 Å²	77	91 Å²	91	36%	0.36	51%	0.507	S	S	.	.	H	α-helix	trans	-74.2	-29.7	179.4	-65.7	174.1	-27.3	0	0	111.7	V65 Q66 E72 L73	V65-Q69 HydrophobicContact CG1-CB 3.89Å; Q66-Q69 WeakPolarHBondContact O-CB 3.28Å; Q66-Q69 PolarHBondContact O-N 3.05Å; Q69-E72 PolarHBondContact O-N 3.01Å; Q69-L73 WeakPolarHBondContact O-CB 3.41Å; Q69-L73 PolarHBondContact O-N 2.93Å
70	L	55.4	Low	52.7	Low	32 Å²	32	90.2 Å²	90.2	17%	0.168	51%	0.509	C	S	.	.	H	α-helix	trans	-64.4	-41.3	174.8	-116.2	153.1	0	0	0	111.7	L57 V65 Q66 E72 L73 V74 L131	L57-L70 HydrophobicContact CD1-CD1 4.2Å; L57-L70 HydrophobicContact CD2-CD1 4.24Å; V65-L70 HydrophobicContact CG1-CD1 4.46Å; V65-L70 HydrophobicContact CG1-CG 4.35Å; Q66-L70 PolarHBondContact O-N 2.97Å; L70-E72 VanDerWaalsContact C-N 3.34Å; L70-E72 PolarHBondContact O-N 3.39Å; L70-L73 WeakPolarHBondContact O-CB 3.31Å; L70-L73 PolarHBondContact O-N 3.16Å; L70-V74 VanDerWaalsContact O-CG2 3.3Å; L70-V74 WeakPolarHBondContact O-CG2 3.35Å; L70-V74 PolarHBondContact O-N 3.35Å; L70-L131 HydrophobicContact CD2-CD2 4.27Å
71	N	50.5	Low	52.1	Low	105 Å²	105	91.3 Å²	91.3	56%	0.561	52%	0.522	S	S	*	.	H	α-helix	trans	-66.8	-34.3	176	-74.7	-7.7	0	0	0	112.6	S75	N71-S75 WeakPolarHBondContact O-CB 3.32Å; N71-S75 PolarHBondContact O-N 3.41Å; N71-S75 VanDerWaalsContact O-N 3.08Å; N71-S75 PolarHBondContact O-OG 2.99Å
72	E	54.9	Low	51.3	Low	97 Å²	97	92.8 Å²	92.8	45%	0.453	52%	0.522	S	S	.	.	H	α-helix	trans	-70.7	-34.1	173.8	-165.8	179.8	172.1	0	0	112.2	S68 Q69 L70 S75 R76	S68-E72 PolarHBondContact O-N 3.49Å; Q69-E72 PolarHBondContact O-N 3.01Å; L70-E72 VanDerWaalsContact C-N 3.34Å; L70-E72 PolarHBondContact O-N 3.39Å; E72-S75 WeakPolarHBondContact CA-OG 3.46Å; E72-S75 PolarHBondContact O-OG 3.04Å; E72-S75 VanDerWaalsContact O-OG 3.06Å; E72-R76 WeakPolarHBondContact O-CG 3.25Å; E72-R76 PolarHBondContact O-N 2.96Å; E72-R76 VanDerWaalsContact O-N 3.11Å; E72-R76 IonicContact OE1-CZ 3.1Å; E72-R76 IonicContact OE1-NE 3.96Å; E72-R76 IonicContact OE1-NH2 3.6Å; E72-R76 PolarHBondContact OE1-NH2 3.42Å
73	L	55.9	Low	50.4	Low	67 Å²	67	97.9 Å²	97.9	35%	0.351	55%	0.549	S	S	.	.	H	α-helix	trans	-68.2	-41.6	176.6	-137.6	159	0	0	0	111.1	Q69 L70 R76 L77	Q69-L73 WeakPolarHBondContact O-CB 3.41Å; Q69-L73 PolarHBondContact O-N 2.93Å; L70-L73 WeakPolarHBondContact O-CB 3.31Å; L70-L73 PolarHBondContact O-N 3.16Å; L73-R76 PolarHBondContact O-N 3.41Å; L73-L77 HydrophobicContact CD2-CD1 3.34Å; L73-L77 HydrophobicContact CD2-CG 4.11Å; L73-L77 WeakPolarHBondContact O-CB 3.38Å; L73-L77 WeakPolarHBondContact O-CG 3.33Å; L73-L77 PolarHBondContact O-N 3.39Å; L73-L77 VanDerWaalsContact O-N 3.1Å
74	V	55.7	Low	49.1	Very low	49 Å²	49	101.6 Å²	101.6	30%	0.297	56%	0.557	S	S	.	*	H	α-helix	trans	-66	-41.9	176.1	173.2	0	0	0	0	111.3	L70 R76 L77 L78	L70-V74 VanDerWaalsContact O-CG2 3.3Å; L70-V74 WeakPolarHBondContact O-CG2 3.35Å; L70-V74 PolarHBondContact O-N 3.35Å; V74-R76 VanDerWaalsContact C-N 3.33Å; V74-R76 PolarHBondContact O-N 3.43Å; V74-L77 PolarHBondContact O-N 3.36Å; V74-L78 HydrophobicContact CG1-CD1 3.92Å; V74-L78 PolarHBondContact O-N 2.84Å; V74-L78 VanDerWaalsContact O-N 3.07Å
75	S	54.9	Low	48	Very low	79 Å²	79	102.9 Å²	102.9	55%	0.552	56%	0.562	S	S	*	*	H	α-helix	trans	-72.6	-21.4	179.3	68	0	0	0	0	114.3	N71 E72	N71-S75 WeakPolarHBondContact O-CB 3.32Å; N71-S75 PolarHBondContact O-N 3.41Å; N71-S75 VanDerWaalsContact O-N 3.08Å; N71-S75 PolarHBondContact O-OG 2.99Å; E72-S75 WeakPolarHBondContact CA-OG 3.46Å; E72-S75 PolarHBondContact O-OG 3.04Å; E72-S75 VanDerWaalsContact O-OG 3.06Å
76	R	54.9	Low	46.9	Very low	196 Å²	196	106.1 Å²	106.1	74%	0.74	58%	0.584	S	S	*	*	H	α-helix	trans	-86.5	-28.2	172.6	-73.6	-171.2	-170.9	-170.2	6.8	113.9	E72 L73 V74	E72-R76 WeakPolarHBondContact O-CG 3.25Å; E72-R76 PolarHBondContact O-N 2.96Å; E72-R76 VanDerWaalsContact O-N 3.11Å; E72-R76 IonicContact OE1-CZ 3.1Å; E72-R76 IonicContact OE1-NE 3.96Å; E72-R76 IonicContact OE1-NH2 3.6Å; E72-R76 PolarHBondContact OE1-NH2 3.42Å; L73-R76 PolarHBondContact O-N 3.41Å; V74-R76 VanDerWaalsContact C-N 3.33Å; V74-R76 PolarHBondContact O-N 3.43Å
77	L	50.6	Low	45.7	Very low	119 Å²	119	105.1 Å²	105.1	62%	0.623	59%	0.59	S	S	*	*	H	α-helix	trans	-88.6	-27.6	-178.8	-77.8	173.5	0	0	0	113.6	L73 V74	L73-L77 HydrophobicContact CD2-CD1 3.34Å; L73-L77 HydrophobicContact CD2-CG 4.11Å; L73-L77 WeakPolarHBondContact O-CB 3.38Å; L73-L77 WeakPolarHBondContact O-CG 3.33Å; L73-L77 PolarHBondContact O-N 3.39Å; L73-L77 VanDerWaalsContact O-N 3.1Å; V74-L77 PolarHBondContact O-N 3.36Å
78	L	46.8	Very low	44.8	Very low	67 Å²	67	110.2 Å²	110.2	35%	0.351	61%	0.613	S	S	.	*	S	Bend	trans	-107.7	133.3	179	-61.8	174.3	0	0	0	109.8	V74 L138 L141	V74-L78 HydrophobicContact CG1-CD1 3.92Å; V74-L78 PolarHBondContact O-N 2.84Å; V74-L78 VanDerWaalsContact O-N 3.07Å; L78-L138 HydrophobicContact CD1-CD2 4.16Å; L78-L141 HydrophobicContact CD1-CD1 4.34Å
79	P	41.3	Very low	43.8	Very low	103 Å²	103	112.1 Å²	112.1	67%	0.669	62%	0.622	S	S	*	*			trans	-61.6	138.5	174.5	24.9	-31.3	0	0	0	109.9
80	P	42.1	Very low	43	Very low	110 Å²	110	115.4 Å²	115.4	71%	0.714	65%	0.647	S	S	*	*			trans	-62.1	144.1	175.4	26	-32.9	0	0	0	109.7	S82	P80-S82 PolarHBondContact O-N 2.91Å
81	P	38.1	Very low	42.2	Very low	128 Å²	128	117.4 Å²	117.4	83%	0.831	66%	0.664	S	S	*	*			trans	-63.5	110.4	175	25.6	-31.6	0	0	0	108.8	L83	P81-L83 PolarHBondContact O-N 3.14Å
82	S	32.3	Very low	41.7	Very low	95 Å²	95	120.2 Å²	120.2	66%	0.664	68%	0.677	S	S	*	*			trans	-65.8	117.5	169.9	45.4	0	0	0	0	108.8	P80 E84	P80-S82 PolarHBondContact O-N 2.91Å; S82-E84 PolarHBondContact O-N 3.24Å
83	L	36.4	Very low	40.8	Very low	183 Å²	183	121.1 Å²	121.1	96%	0.958	68%	0.676	S	S	*	*			trans	-70.3	73.3	162	-86.7	153.2	0	0	0	108.2	P81	P81-L83 PolarHBondContact O-N 3.14Å
84	E	30.5	Very low	40.1	Very low	165 Å²	165	128 Å²	128	77%	0.771	70%	0.704	S	S	*	*			trans	-106.6	111	164.9	-79.9	-174.4	158.6	0	0	108.5	S82	S82-E84 PolarHBondContact O-N 3.24Å
85	E	30.5	Very low	39.3	Very low	186 Å²	186	129.8 Å²	129.8	87%	0.869	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-57.4	129.6	167.3	-69.2	-178.7	152	0	0	109.3
86	P	32.9	Very low	38.7	Very low	113 Å²	113	129.8 Å²	129.8	73%	0.734	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-66.3	138.9	175.3	26.4	-31.9	0	0	0	109.7	T88	P86-T88 PolarHBondContact O-N 3.46Å
87	P	32.5	Very low	38	Very low	116 Å²	116	126.7 Å²	126.7	75%	0.753	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-60.8	129.8	-175.5	23.5	-32.8	0	0	0	111	V89	P87-V89 PolarHBondContact O-N 3.42Å
88	T	35.1	Very low	37.7	Very low	145 Å²	145	126 Å²	126	89%	0.89	71%	0.708	S	S	*	*			trans	-66.5	90.2	174.6	48	0	0	0	0	110.7	P86	P86-T88 PolarHBondContact O-N 3.46Å
89	V	33.2	Very low	37.7	Very low	123 Å²	123	127.5 Å²	127.5	75%	0.745	73%	0.725	S	S	*	*			trans	-102.5	119.2	162.3	-176	0	0	0	0	108.2	P87 S91	P87-V89 PolarHBondContact O-N 3.42Å; V89-S91 VanDerWaalsContact C-N 3.27Å; V89-S91 PolarHBondContact O-N 3.01Å
90	T	38.1	Very low	38.3	Very low	146 Å²	146	124.5 Å²	124.5	90%	0.896	71%	0.708	S	S	*	*			trans	-72.3	75.2	179.7	41.1	0	0	0	0	111.6
91	S	39.4	Very low	38.5	Very low	73 Å²	73	127.4 Å²	127.4	51%	0.51	72%	0.718	S	S	.	*			trans	-82.1	134.4	166.5	159.1	0	0	0	0	110.4	V89 W93	V89-S91 VanDerWaalsContact C-N 3.27Å; V89-S91 PolarHBondContact O-N 3.01Å; S91-W93 PolarHBondContact O-N 3.5Å; S91-W93 VanDerWaalsContact O-N 3.13Å; S91-W93 WeakPolarHBondContact OG-CB 3.46Å; S91-W93 PolarHBondContact OG-N 2.85Å; S91-W93 PolarHBondContact OG-O 2.95Å
92	I	40.4	Very low	39.1	Very low	165 Å²	165	123.3 Å²	123.3	85%	0.846	69%	0.693	S	S	*	*	S	Bend	trans	-62.1	-15.3	172.5	-64.6	168.6	0	0	0	111.5
93	W	36.2	Very low	39.7	Very low	116 Å²	116	126 Å²	126	44%	0.439	69%	0.692	S	S	.	*	P	Polyproline II helix	trans	-103.2	123.8	179.4	-59.8	91	0	0	0	110.7	S91 K151 L153	S91-W93 PolarHBondContact O-N 3.5Å; S91-W93 VanDerWaalsContact O-N 3.13Å; S91-W93 WeakPolarHBondContact OG-CB 3.46Å; S91-W93 PolarHBondContact OG-N 2.85Å; S91-W93 PolarHBondContact OG-O 2.95Å; W93-K151 HydrophobicContact CE3-CB 4.39Å; W93-K151 HydrophobicContact CZ3-CB 4.07Å; W93-L153 HydrophobicContact CH2-CB 3.7Å; W93-L153 HydrophobicContact CH2-CD1 3.54Å; W93-L153 HydrophobicContact CH2-CG 3.54Å; W93-L153 HydrophobicContact CZ2-CD1 3.74Å; W93-L153 HydrophobicContact CZ2-CG 3.89Å; W93-L153 HydrophobicContact CZ3-CB 3.96Å; W93-L153 HydrophobicContact CZ3-CG 4.17Å
94	K	41	Very low	40.3	Very low	212 Å²	212	123.8 Å²	123.8	92%	0.922	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-98.3	129	163.7	-99.5	-173.5	172.7	-174.6	0	109.1
95	T	39.1	Very low	41.4	Very low	86 Å²	86	119.8 Å²	119.8	53%	0.528	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-99.5	125	169.6	42.1	0	0	0	0	108.8	H97	T95-H97 PolarHBondContact OG1-NE2 3.33Å
96	S	41.8	Very low	42.5	Very low	78 Å²	78	114 Å²	114	55%	0.545	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-95.7	137.7	161.7	81.7	0	0	0	0	108.1	V98	S96-V98 PolarHBondContact OG-O 3.41Å
97	H	40.5	Very low	43.2	Very low	131 Å²	131	113.5 Å²	113.5	61%	0.606	62%	0.618	S	S	*	*	S	Bend	trans	-101.5	6.9	-174.6	-65.7	-82.8	0	0	0	112.7	T95	T95-H97 PolarHBondContact OG1-NE2 3.33Å
98	V	44.4	Very low	44.1	Very low	104 Å²	104	114 Å²	114	63%	0.63	61%	0.606	S	S	*	*	S	Bend	trans	-139.7	132.7	178.5	-173.7	0	0	0	0	108.9	S96	S96-V98 PolarHBondContact OG-O 3.41Å
99	S	45.3	Very low	44.8	Very low	100 Å²	100	109.6 Å²	109.6	70%	0.699	59%	0.59	S	S	*	*			trans	-90	121.1	173.4	55	0	0	0	0	110.7
100	A	53.9	Low	45.2	Very low	39 Å²	39	111.4 Å²	111.4	32%	0.322	59%	0.588	S	S	.	*			trans	-79.4	160.6	169.2	0	0	0	0	0	112.4	S102 Q105 N106	A100-S102 PolarHBondContact O-N 3.5Å; A100-S102 VanDerWaalsContact O-N 3.07Å; A100-Q105 HydrophobicContact CB-CB 3.9Å; A100-N106 WeakPolarHBondContact CB-OD1 3.38Å; A100-N106 PolarHBondContact N-ND2 2.89Å; A100-N106 PolarHBondContact N-OD1 2.97Å; A100-N106 PolarHBondContact O-ND2 3.45Å
101	D	47.3	Very low	45.2	Very low	172 Å²	172	108.9 Å²	108.9	92%	0.92	58%	0.576	S	S	*	*	S	Bend	trans	-63.9	-13.2	-174.3	-60.5	-32.2	0	0	0	114.7
102	S	49.8	Very low	45	Very low	42 Å²	42	113.8 Å²	113.8	29%	0.294	59%	0.591	S	S	.	*	S	Bend	trans	-133.1	144.4	173.2	72.2	0	0	0	0	112.9	A100 F104 Q105 N106	A100-S102 PolarHBondContact O-N 3.5Å; A100-S102 VanDerWaalsContact O-N 3.07Å; S102-F104 PolarHBondContact O-N 2.93Å; S102-Q105 PolarHBondContact O-N 3.09Å; S102-Q105 VanDerWaalsContact O-N 3.13Å; S102-Q105 WeakPolarHBondContact OG-CB 3.41Å; S102-Q105 VanDerWaalsContact OG-CD 3.28Å; S102-Q105 VanDerWaalsContact OG-CG 3.23Å; S102-Q105 WeakPolarHBondContact OG-CG 3.22Å; S102-Q105 PolarHBondContact OG-N 2.93Å; S102-Q105 PolarHBondContact OG-OE1 3.3Å; S102-N106 PolarHBondContact O-N 3.29Å; S102-N106 VanDerWaalsContact O-N 3.1Å
103	F	44.5	Very low	44.6	Very low	151 Å²	151	115 Å²	115	66%	0.662	59%	0.59	S	S	*	*	H	α-helix	trans	-56.9	-34.6	174.3	180	-99.4	0	0	0	112.3	N106 K107	F103-N106 PolarHBondContact O-N 2.96Å; F103-K107 HydrophobicContact CE1-CD 3.93Å; F103-K107 HydrophobicContact CZ-CD 4.33Å; F103-K107 VanDerWaalsContact O-CB 3.3Å; F103-K107 WeakPolarHBondContact O-CB 3.37Å; F103-K107 PolarHBondContact O-N 3.47Å
104	F	49.9	Very low	44.2	Very low	136 Å²	136	121 Å²	121	60%	0.596	61%	0.612	S	S	*	*	H	α-helix	trans	-62.5	-48.5	176.7	-168.5	-90.1	0	0	0	110.9	S102 N106 K107 Y108	S102-F104 PolarHBondContact O-N 2.93Å; F104-N106 PolarHBondContact O-N 3.14Å; F104-K107 PolarHBondContact O-N 2.64Å; F104-K107 VanDerWaalsContact O-N 3.1Å; F104-Y108 AromaticContact CD1-CD2 3.79Å; F104-Y108 HydrophobicContact CD1-CD2 3.79Å; F104-Y108 HydrophobicContact CD1-CE2 4.48Å; F104-Y108 AromaticContact CD2-CD2 3.54Å; F104-Y108 HydrophobicContact CD2-CD2 3.54Å; F104-Y108 AromaticContact CD2-CE2 3.38Å; F104-Y108 HydrophobicContact CD2-CE2 3.38Å; F104-Y108 AromaticContact CE1-CD2 3.72Å; F104-Y108 HydrophobicContact CE1-CD2 3.72Å; F104-Y108 HydrophobicContact CE1-CE2 4.39Å; F104-Y108 HydrophobicContact CE1-CG 4.31Å; F104-Y108 AromaticContact CE2-CD2 3.47Å; F104-Y108 HydrophobicContact CE2-CD2 3.47Å; F104-Y108 VanDerWaalsContact CE2-CD2 3.47Å; F104-Y108 AromaticContact CE2-CE2 3.27Å; F104-Y108 HydrophobicContact CE2-CE2 3.27Å; F104-Y108 HydrophobicContact CE2-CG 4.48Å; F104-Y108 AromaticContact CG-CD2 3.7Å; F104-Y108 HydrophobicContact CG-CD2 3.7Å; F104-Y108 HydrophobicContact CG-CE2 4.01Å; F104-Y108 AromaticContact CZ-CD2 3.56Å; F104-Y108 HydrophobicContact CZ-CD2 3.56Å; F104-Y108 AromaticContact CZ-CE2 3.82Å; F104-Y108 HydrophobicContact CZ-CE2 3.82Å; F104-Y108 HydrophobicContact CZ-CG 4.22Å; F104-Y108 WeakPolarHBondContact O-CD2 3.37Å; F104-Y108 PolarHBondContact O-N 3.39Å
105	Q	53.4	Low	43.9	Very low	82 Å²	82	118.2 Å²	118.2	38%	0.383	61%	0.607	S	S	.	*	H	α-helix	trans	-64.8	-38.5	179.1	-73.3	167.3	-6.8	0	0	112.5	A100 S102 K107 G109	A100-Q105 HydrophobicContact CB-CB 3.9Å; S102-Q105 PolarHBondContact O-N 3.09Å; S102-Q105 VanDerWaalsContact O-N 3.13Å; S102-Q105 WeakPolarHBondContact OG-CB 3.41Å; S102-Q105 VanDerWaalsContact OG-CD 3.28Å; S102-Q105 VanDerWaalsContact OG-CG 3.23Å; S102-Q105 WeakPolarHBondContact OG-CG 3.22Å; S102-Q105 PolarHBondContact OG-N 2.93Å; S102-Q105 PolarHBondContact OG-OE1 3.3Å; Q105-K107 VanDerWaalsContact C-N 3.26Å; Q105-K107 PolarHBondContact O-N 2.92Å; Q105-G109 PolarHBondContact O-N 3.45Å
106	N	54.4	Low	43.6	Very low	65 Å²	65	122.4 Å²	122.4	35%	0.348	63%	0.625	S	S	.	*	H	α-helix	trans	-62.8	-32.4	173.4	-79.3	-35.8	0	0	0	113.1	A100 S102 F103 F104	A100-N106 WeakPolarHBondContact CB-OD1 3.38Å; A100-N106 PolarHBondContact N-ND2 2.89Å; A100-N106 PolarHBondContact N-OD1 2.97Å; A100-N106 PolarHBondContact O-ND2 3.45Å; S102-N106 PolarHBondContact O-N 3.29Å; S102-N106 VanDerWaalsContact O-N 3.1Å; F103-N106 PolarHBondContact O-N 2.96Å; F104-N106 PolarHBondContact O-N 3.14Å
107	K	47.8	Very low	42.9	Very low	101 Å²	101	121.9 Å²	121.9	44%	0.439	63%	0.632	S	S	.	*	H	α-helix	trans	-84.5	-30	-177.3	-173	174.6	178.9	-175.4	0	113.9	F103 F104 Q105	F103-K107 HydrophobicContact CE1-CD 3.93Å; F103-K107 HydrophobicContact CZ-CD 4.33Å; F103-K107 VanDerWaalsContact O-CB 3.3Å; F103-K107 WeakPolarHBondContact O-CB 3.37Å; F103-K107 PolarHBondContact O-N 3.47Å; F104-K107 PolarHBondContact O-N 2.64Å; F104-K107 VanDerWaalsContact O-N 3.1Å; Q105-K107 VanDerWaalsContact C-N 3.26Å; Q105-K107 PolarHBondContact O-N 2.92Å
108	Y	51.2	Low	42.3	Very low	126 Å²	126	125.3 Å²	125.3	49%	0.494	65%	0.648	S	S	.	*	H	α-helix	trans	-114.4	-12.3	-171.5	-61.4	-74.7	0	0	0	114.6	F104	F104-Y108 AromaticContact CD1-CD2 3.79Å; F104-Y108 HydrophobicContact CD1-CD2 3.79Å; F104-Y108 HydrophobicContact CD1-CE2 4.48Å; F104-Y108 AromaticContact CD2-CD2 3.54Å; F104-Y108 HydrophobicContact CD2-CD2 3.54Å; F104-Y108 AromaticContact CD2-CE2 3.38Å; F104-Y108 HydrophobicContact CD2-CE2 3.38Å; F104-Y108 AromaticContact CE1-CD2 3.72Å; F104-Y108 HydrophobicContact CE1-CD2 3.72Å; F104-Y108 HydrophobicContact CE1-CE2 4.39Å; F104-Y108 HydrophobicContact CE1-CG 4.31Å; F104-Y108 AromaticContact CE2-CD2 3.47Å; F104-Y108 HydrophobicContact CE2-CD2 3.47Å; F104-Y108 VanDerWaalsContact CE2-CD2 3.47Å; F104-Y108 AromaticContact CE2-CE2 3.27Å; F104-Y108 HydrophobicContact CE2-CE2 3.27Å; F104-Y108 HydrophobicContact CE2-CG 4.48Å; F104-Y108 AromaticContact CG-CD2 3.7Å; F104-Y108 HydrophobicContact CG-CD2 3.7Å; F104-Y108 HydrophobicContact CG-CE2 4.01Å; F104-Y108 AromaticContact CZ-CD2 3.56Å; F104-Y108 HydrophobicContact CZ-CD2 3.56Å; F104-Y108 AromaticContact CZ-CE2 3.82Å; F104-Y108 HydrophobicContact CZ-CE2 3.82Å; F104-Y108 HydrophobicContact CZ-CG 4.22Å; F104-Y108 WeakPolarHBondContact O-CD2 3.37Å; F104-Y108 PolarHBondContact O-N 3.39Å
109	G	48.3	Very low	41.4	Very low	54 Å²	54	124.1 Å²	124.1	56%	0.557	66%	0.656	S	S	*	*			trans	80	160.7	178.7	0	0	0	0	0	114	Q105	Q105-G109 PolarHBondContact O-N 3.45Å
110	F	42.6	Very low	40.6	Very low	161 Å²	161	124.8 Å²	124.8	71%	0.706	66%	0.661	S	S	*	*			trans	-86.4	133.5	-176.1	-149.8	-94.3	0	0	0	111.2
111	S	38.3	Very low	39.9	Very low	92 Å²	92	128.2 Å²	128.2	64%	0.643	68%	0.68	S	S	*	*			trans	-90.1	110	172.8	177	0	0	0	0	110	K113	S111-K113 PolarHBondContact O-N 3.48Å
112	Q	34.8	Very low	39.1	Very low	177 Å²	177	127.4 Å²	127.4	83%	0.827	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-66.5	-0.3	-177.2	-87.6	177.5	-29.5	0	0	115.4	R114	Q112-R114 PolarHBondContact O-N 3.4Å
113	K	31.9	Very low	38.3	Very low	189 Å²	189	134.3 Å²	134.3	82%	0.822	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-85.4	6.3	-174.7	-77.4	-174.1	175.5	-178.5	0	115.8	S111	S111-K113 PolarHBondContact O-N 3.48Å
114	R	28.9	Very low	37.5	Very low	243 Å²	243	136.2 Å²	136.2	92%	0.917	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-106.5	16.1	-179.4	-103	-171	-150.2	-175.5	6.6	115.8	Q112	Q112-R114 PolarHBondContact O-N 3.4Å
115	L	34.5	Very low	36.4	Very low	154 Å²	154	139.8 Å²	139.8	81%	0.806	72%	0.72	S	S	*	*	S	Bend	trans	-110.5	7.5	-180	-96	162.8	0	0	0	114.9
116	L	33	Very low	35.4	Very low	174 Å²	174	145.9 Å²	145.9	91%	0.911	74%	0.74	S	S	*	*	S	Bend	trans	-128.4	101.9	176.4	-85.7	153.9	0	0	0	110.1
117	G	27.2	Very low	34.4	Very low	66 Å²	66	151.9 Å²	151.9	68%	0.68	76%	0.759	S	S	*	*	S	Bend	trans	111.8	81.1	158.9	0	0	0	0	0	115.1
118	H	26.8	Very low	33.9	Very low	203 Å²	203	154.5 Å²	154.5	94%	0.94	77%	0.772	S	S	*	*	S	Bend		-165.6	105	124.3	-98.1	28.8	0	0	0	108.2
119	G	25.8	Very low	33.6	Very low	79 Å²	79	151.5 Å²	151.5	81%	0.814	77%	0.769	S	S	*	*			trans	154.3	61.5	178.6	0	0	0	0	0	113.4
120	S	27.4	Very low	33.5	Very low	114 Å²	114	151.6 Å²	151.6	80%	0.797	76%	0.76	S	S	*	*			trans	-90.3	166.8	151.5	68.8	0	0	0	0	108.1
121	P	40.5	Very low	33.7	Very low	111 Å²	111	146.6 Å²	146.6	72%	0.721	74%	0.741	S	S	*	*				-131	108	-89.7	29.8	-9.9	0	0	0	110.1
122	L	30.9	Very low	34.1	Very low	155 Å²	155	149.7 Å²	149.7	81%	0.812	74%	0.738	S	S	*	*	S	Bend	trans	-136.2	114.6	173.8	-72.5	172.1	0	0	0	110
123	F	32	Very low	34.6	Very low	187 Å²	187	146.5 Å²	146.5	82%	0.82	73%	0.727	S	S	*	*			trans	73.8	71	171.6	-55	-77.5	0	0	0	117.8
124	H	27.5	Very low	35.4	Very low	191 Å²	191	138.7 Å²	138.7	88%	0.884	70%	0.698	S	S	*	*			trans	-132.4	111.7	140.9	-105.9	24.6	0	0	0	110.7	R126	H124-R126 PolarHBondContact O-N 2.96Å
125	R	28.3	Very low	36.3	Very low	211 Å²	211	130.9 Å²	130.9	80%	0.796	68%	0.68	S	S	*	*			trans	-65	113.9	173.6	-168.3	175.5	-174	171.7	1.3	107.4	Y127	R125-Y127 HydrophobicContact CG-CE2 4.43Å; R125-Y127 PolarHBondContact O-N 3.5Å; R125-Y127 VanDerWaalsContact O-N 3.11Å
126	R	32	Very low	37.1	Very low	211 Å²	211	126.4 Å²	126.4	80%	0.796	66%	0.661	S	S	*	*			trans	-56.8	111.4	176.6	-73.4	179.2	177.3	-177.8	0.8	110.1	H124	H124-R126 PolarHBondContact O-N 2.96Å
127	Y	32.8	Very low	37.6	Very low	190 Å²	190	124.9 Å²	124.9	75%	0.745	65%	0.649	S	S	*	*			trans	-107.7	103.6	152.3	-81.4	-82.4	0	0	0	106.8	R125 S129	R125-Y127 HydrophobicContact CG-CE2 4.43Å; R125-Y127 PolarHBondContact O-N 3.5Å; R125-Y127 VanDerWaalsContact O-N 3.11Å; Y127-S129 PolarHBondContact O-N 2.96Å
128	H	36.6	Very low	38.4	Very low	156 Å²	156	126.1 Å²	126.1	72%	0.722	64%	0.64	S	S	*	*			trans	-75.5	112.8	174.5	-80.4	-80.1	0	0	0	108.9
129	S	44.8	Very low	39.2	Very low	63 Å²	63	124.4 Å²	124.4	44%	0.441	63%	0.632	S	S	.	*			trans	-122.1	111.9	165.4	63.9	0	0	0	0	109.1	Y127 L131 R132	Y127-S129 PolarHBondContact O-N 2.96Å; S129-L131 PolarHBondContact O-N 3.34Å; S129-L131 VanDerWaalsContact O-N 3.12Å; S129-R132 PolarHBondContact O-N 3.49Å; S129-R132 VanDerWaalsContact O-N 3.09Å
130	P	47.7	Very low	40	Very low	56 Å²	56	127.7 Å²	127.7	36%	0.364	63%	0.631	S	S	.	*	H	α-helix	trans	-62.2	-21.2	-175.5	22.1	-31.8	0	0	0	113.9	R132 A134	P130-R132 VanDerWaalsContact C-N 3.32Å; P130-R132 PolarHBondContact O-N 3.35Å; P130-A134 PolarHBondContact O-N 3.29Å
131	L	46.4	Very low	40.5	Very low	56 Å²	56	125.3 Å²	125.3	29%	0.293	61%	0.608	S	S	.	*	H	α-helix	trans	-67.6	-28.3	175.4	-75.1	173.5	0	0	0	113.8	L57 L70 S129 C135	L57-L131 HydrophobicContact CD1-CD1 4.43Å; L57-L131 HydrophobicContact CD2-CD1 3.65Å; L57-L131 HydrophobicContact CD2-CG 4.28Å; L57-L131 HydrophobicContact CG-CD1 3.8Å; L70-L131 HydrophobicContact CD2-CD2 4.27Å; S129-L131 PolarHBondContact O-N 3.34Å; S129-L131 VanDerWaalsContact O-N 3.12Å; L131-C135 WeakPolarHBondContact O-CB 3.35Å; L131-C135 PolarHBondContact O-N 3.48Å; L131-C135 PolarHBondContact O-SG 3.19Å; L131-C135 VanDerWaalsContact O-SG 3.38Å
132	R	47	Very low	40.5	Very low	157 Å²	157	125.2 Å²	125.2	59%	0.592	61%	0.608	S	S	*	*	H	α-helix	trans	-72.6	-35.8	-177.5	-157.7	-179.9	-165.7	-166.5	6.8	111.4	E52 S129 P130 S136	E52-R132 IonicContact OE1-NH2 3.55Å; E52-R132 IonicContact OE2-CZ 2.73Å; E52-R132 IonicContact OE2-NH2 3.83Å; E52-R132 PolarHBondContact OE2-NH2 3.16Å; S129-R132 PolarHBondContact O-N 3.49Å; S129-R132 VanDerWaalsContact O-N 3.09Å; P130-R132 VanDerWaalsContact C-N 3.32Å; P130-R132 PolarHBondContact O-N 3.35Å; R132-S136 PolarHBondContact O-N 2.98Å
133	D	45.5	Very low	40.8	Very low	110 Å²	110	123.4 Å²	123.4	59%	0.588	60%	0.603	S	S	*	*	H	α-helix	trans	-67.2	-45.9	174.7	-72.7	-19	0	0	0	110.6	C135 S136 E137	D133-C135 PolarHBondContact O-N 3.26Å; D133-S136 PolarHBondContact O-N 3.46Å; D133-S136 VanDerWaalsContact O-N 3.14Å; D133-S136 PolarHBondContact O-OG 2.9Å; D133-E137 PolarHBondContact O-N 3.25Å; D133-E137 VanDerWaalsContact O-N 3.07Å
134	A	48.3	Very low	40.9	Very low	26 Å²	26	125.8 Å²	125.8	22%	0.215	61%	0.606	C	S	.	*	H	α-helix	trans	-61.3	-39.8	176.5	0	0	0	0	0	113.2	P130 S136 E137 L138	P130-A134 PolarHBondContact O-N 3.29Å; A134-S136 VanDerWaalsContact C-N 3.35Å; A134-E137 PolarHBondContact O-N 3.44Å; A134-L138 WeakPolarHBondContact O-CG 3.35Å; A134-L138 PolarHBondContact O-N 3.33Å; A134-L138 VanDerWaalsContact O-N 3.1Å
135	C	47.9	Very low	41.2	Very low	79 Å²	79	122.2 Å²	122.2	53%	0.534	59%	0.593	S	S	.	*	H	α-helix	trans	-69.1	-31	175.7	-73.8	0	0	0	0	113.2	L131 D133	L131-C135 WeakPolarHBondContact O-CB 3.35Å; L131-C135 PolarHBondContact O-N 3.48Å; L131-C135 PolarHBondContact O-SG 3.19Å; L131-C135 VanDerWaalsContact O-SG 3.38Å; D133-C135 PolarHBondContact O-N 3.26Å
136	S	49.8	Very low	41.3	Very low	60 Å²	60	120.8 Å²	120.8	42%	0.42	60%	0.596	S	S	.	*	H	α-helix	trans	-71	-34.2	175.1	73.2	0	0	0	0	112.4	R132 D133 A134	R132-S136 PolarHBondContact O-N 2.98Å; D133-S136 PolarHBondContact O-N 3.46Å; D133-S136 VanDerWaalsContact O-N 3.14Å; D133-S136 PolarHBondContact O-OG 2.9Å; A134-S136 VanDerWaalsContact C-N 3.35Å
137	E	44.3	Very low	41.6	Very low	142 Å²	142	114.6 Å²	114.6	66%	0.664	59%	0.585	S	S	*	*	H	α-helix	trans	-74.5	-29	174.8	-69.8	-166.1	163.6	0	0	112.8	D133 A134 Q139 L140	D133-E137 PolarHBondContact O-N 3.25Å; D133-E137 VanDerWaalsContact O-N 3.07Å; A134-E137 PolarHBondContact O-N 3.44Å; E137-Q139 VanDerWaalsContact C-N 3.28Å; E137-Q139 PolarHBondContact O-N 3.41Å; E137-L140 PolarHBondContact O-N 3.41Å; E137-L140 VanDerWaalsContact O-N 3.17Å
138	L	43.7	Very low	41.7	Very low	91 Å²	91	116.5 Å²	116.5	48%	0.476	59%	0.59	S	S	.	*	H	α-helix	trans	-65	-27	174.7	-79.8	163.7	0	0	0	113.6	L78 A134 L140 L141	L78-L138 HydrophobicContact CD1-CD2 4.16Å; A134-L138 WeakPolarHBondContact O-CG 3.35Å; A134-L138 PolarHBondContact O-N 3.33Å; A134-L138 VanDerWaalsContact O-N 3.1Å; L138-L140 PolarHBondContact O-N 2.95Å; L138-L141 HydrophobicContact CD2-CD1 3.81Å; L138-L141 PolarHBondContact O-N 3.33Å
139	Q	43.2	Very low	41.8	Very low	167 Å²	167	112.3 Å²	112.3	78%	0.78	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-13.3	175.6	-74.1	-174.7	-17.7	0	0	113.5	E137	E137-Q139 VanDerWaalsContact C-N 3.28Å; E137-Q139 PolarHBondContact O-N 3.41Å
140	L	44	Very low	41.4	Very low	149 Å²	149	119 Å²	119	78%	0.78	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	0.7	-178.6	-74.5	156	0	0	0	113.3	E137 L138	E137-L140 PolarHBondContact O-N 3.41Å; E137-L140 VanDerWaalsContact O-N 3.17Å; L138-L140 PolarHBondContact O-N 2.95Å
141	L	37.5	Very low	41	Very low	64 Å²	64	124.4 Å²	124.4	34%	0.335	63%	0.629	S	S	.	*			trans	-79.8	124.7	177.2	-89.5	153.3	0	0	0	111.1	L78 L138 V143	L78-L141 HydrophobicContact CD1-CD1 4.34Å; L138-L141 HydrophobicContact CD2-CD1 3.81Å; L138-L141 PolarHBondContact O-N 3.33Å; L141-V143 PolarHBondContact O-N 2.96Å
142	P	40.3	Very low	40.6	Very low	109 Å²	109	127.2 Å²	127.2	71%	0.708	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-74.1	7.8	-169.6	29.8	-34.9	0	0	0	114.6
143	V	37	Very low	39.9	Very low	116 Å²	116	125.9 Å²	125.9	70%	0.703	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-85.9	-11.4	-169.4	-175.2	0	0	0	0	112.9	L141	L141-V143 PolarHBondContact O-N 2.96Å
144	W	34.1	Very low	39.5	Very low	237 Å²	237	129.3 Å²	129.3	90%	0.898	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-124.7	26.2	-175.2	-71.7	78.3	0	0	0	114.9
145	L	33.6	Very low	38.7	Very low	117 Å²	117	132 Å²	132	61%	0.613	68%	0.68	S	S	*	*			trans	-110.5	113.5	169.4	-97.5	92.9	0	0	0	111.8	S147	L145-S147 PolarHBondContact O-N 3.26Å
146	Q	31.4	Very low	38	Very low	181 Å²	181	138.1 Å²	138.1	85%	0.846	70%	0.697	S	S	*	*			trans	-70.6	105.9	165.9	-172.7	179.5	21.2	0	0	109.5
147	S	36.6	Very low	37.1	Very low	80 Å²	80	141.7 Å²	141.7	56%	0.559	72%	0.717	S	S	*	*			trans	-88.1	122.5	-179	65.3	0	0	0	0	112.5	L145	L145-S147 PolarHBondContact O-N 3.26Å
148	R	35.5	Very low	36.5	Very low	230 Å²	230	146.3 Å²	146.3	87%	0.868	73%	0.728	S	S	*	*			trans	-107.5	125.6	160.1	-69.7	-175.3	177.9	-177.3	0.5	108.5
149	G	38.7	Very low	35.7	Very low	68 Å²	68	153.5 Å²	153.5	70%	0.701	75%	0.749	S	S	*	*			trans	-111.7	145.3	-176.6	0	0	0	0	0	113.6
150	F	37	Very low	35.2	Very low	205 Å²	205	151.3 Å²	151.3	90%	0.899	75%	0.746	S	S	*	*			trans	-107	136.5	167.9	-84.9	-90.9	0	0	0	110.2
151	K	38.5	Very low	34.5	Very low	169 Å²	169	153.5 Å²	153.5	74%	0.735	75%	0.753	S	S	*	*			trans	-99.2	123	173.3	-68.6	-176.3	-179.7	178.3	0	109.7	W93	W93-K151 HydrophobicContact CE3-CB 4.39Å; W93-K151 HydrophobicContact CZ3-CB 4.07Å
152	T	39.3	Very low	34.2	Very low	114 Å²	114	155.6 Å²	155.6	70%	0.699	77%	0.773	S	S	*	*			trans	-121	130.4	171.5	56.2	0	0	0	0	111.2
153	L	32.3	Very low	33.7	Very low	130 Å²	130	153.9 Å²	153.9	68%	0.681	78%	0.775	S	S	*	*			trans	-87.7	118.8	-177.4	-152.3	161.2	0	0	0	109.4	W93	W93-L153 HydrophobicContact CH2-CB 3.7Å; W93-L153 HydrophobicContact CH2-CD1 3.54Å; W93-L153 HydrophobicContact CH2-CG 3.54Å; W93-L153 HydrophobicContact CZ2-CD1 3.74Å; W93-L153 HydrophobicContact CZ2-CG 3.89Å; W93-L153 HydrophobicContact CZ3-CB 3.96Å; W93-L153 HydrophobicContact CZ3-CG 4.17Å
154	R	37.5	Very low	33.4	Very low	182 Å²	182	159.3 Å²	159.3	69%	0.687	78%	0.784	S	S	*	*			trans	-84.1	110.6	171.4	-105.6	-168.3	-173.3	-166.7	4.1	109.5	K156	R154-K156 PolarHBondContact O-N 3.03Å
155	A	31.3	Very low	33.3	Very low	83 Å²	83	155.9 Å²	155.9	69%	0.686	78%	0.783	S	S	*	*			trans	-70.2	122.5	160.9	0	0	0	0	0	108.8	T157	A155-T157 PolarHBondContact O-N 3.1Å
156	K	32.6	Very low	33.1	Very low	206 Å²	206	152.9 Å²	152.9	90%	0.896	78%	0.781	S	S	*	*			trans	-68.1	90.2	176.6	-80.2	179.4	175.5	174.2	0	110.3	R154	R154-K156 PolarHBondContact O-N 3.03Å
157	T	30.8	Very low	33	Very low	136 Å²	136	150.7 Å²	150.7	83%	0.834	78%	0.782	S	S	*	*			trans	-97.4	101.4	151.2	39.5	0	0	0	0	107.6	A155 R159	A155-T157 PolarHBondContact O-N 3.1Å; T157-R159 PolarHBondContact O-N 3.42Å
158	R	31.5	Very low	32.7	Very low	238 Å²	238	153.6 Å²	153.6	90%	0.898	80%	0.797	S	S	*	*			trans	-73.7	92	-179.1	-167.5	-177.4	-166.2	179.4	2.4	108.4
159	R	27.2	Very low	32.4	Very low	242 Å²	242	150.7 Å²	150.7	91%	0.913	79%	0.793	S	S	*	*			trans	-96.9	119.6	156.5	-128.5	179.6	-170.2	174.9	2.5	107	T157 E161	T157-R159 PolarHBondContact O-N 3.42Å; R159-E161 PolarHBondContact O-N 3Å
160	V	32.1	Very low	32.2	Very low	121 Å²	121	153.4 Å²	153.4	73%	0.733	80%	0.798	S	S	*	*			trans	-69.9	117.4	-174.9	172.9	0	0	0	0	108.8
161	E	29.8	Very low	32	Very low	195 Å²	195	150 Å²	150	91%	0.911	79%	0.789	S	S	*	*			trans	-75.2	114.8	161.6	-77	172.6	164.3	0	0	107.6	R159	R159-E161 PolarHBondContact O-N 3Å
162	S	30.4	Very low	31.6	Very low	109 Å²	109	145.9 Å²	145.9	76%	0.762	79%	0.787	S	S	*	*			trans	-84.3	118.7	166.7	53.9	0	0	0	0	108.6
163	G	31.7	Very low	31.5	Very low	72 Å²	72	152 Å²	152	74%	0.742	80%	0.799	S	S	*	*			trans	-70.6	131.5	170.9	0	0	0	0	0	111.1
164	Y	28.8	Very low	31.7	Very low	231 Å²	231	150 Å²	150	91%	0.906	79%	0.792	S	S	*	*			trans	-150.4	114.3	159.1	-124.2	-90.8	0	0	0	108.3
165	D	32.4	Very low	31.7	Very low	164 Å²	164	146.1 Å²	146.1	88%	0.877	79%	0.79	S	S	*	*			trans	-79.3	121.8	164.4	-96.5	-34.2	0	0	0	107.6
166	G	30.4	Very low	31.9	Very low	55 Å²	55	146.4 Å²	146.4	57%	0.567	79%	0.793	S	S	*	*			trans	-159	150.1	174.5	0	0	0	0	0	110.6
167	P	28.9	Very low	32.2	Very low	135 Å²	135	144.9 Å²	144.9	88%	0.877	79%	0.787	S	S	*	*			trans	-72.8	140.9	-167.7	29.7	-32.7	0	0	0	112.2
168	V	30	Very low	32.5	Very low	141 Å²	141	144 Å²	144	86%	0.855	78%	0.775	S	S	*	*			trans	-85.4	113.9	-173.1	178.7	0	0	0	0	110.3
169	E	28.8	Very low	32.8	Very low	169 Å²	169	138.6 Å²	138.6	79%	0.79	76%	0.757	S	S	*	*			trans	-87.1	153.5	157.7	-82.6	-164.2	167.3	0	0	110.5	D171	E169-D171 PolarHBondContact O-N 3.03Å
170	P	35.6	Very low	33.4	Very low	125 Å²	125	130.4 Å²	130.4	81%	0.812	75%	0.749	S	S	*	*			trans	-81	106.5	-171.4	31.6	-31	0	0	0	111.1	A172	P170-A172 PolarHBondContact O-N 3.45Å
171	D	31.5	Very low	33.6	Very low	132 Å²	132	131.5 Å²	131.5	71%	0.706	75%	0.75	S	S	*	*			trans	-69.5	117.4	179.7	-97.2	-13.4	0	0	0	112.1	E169 K179	E169-D171 PolarHBondContact O-N 3.03Å; D171-K179 IonicContact OD2-NZ 3.89Å
172	A	31.3	Very low	34.1	Very low	84 Å²	84	129.7 Å²	129.7	69%	0.694	75%	0.745	S	S	*	*			trans	-68.5	134.9	155.9	0	0	0	0	0	109.6	P170 T174	P170-A172 PolarHBondContact O-N 3.45Å; A172-T174 PolarHBondContact O-N 3.23Å
173	Y	37.5	Very low	34.3	Very low	242 Å²	242	131.6 Å²	131.6	95%	0.949	74%	0.742	S	S	*	*			trans	-71.8	97.4	-178	-80.3	-92.6	0	0	0	111.9
174	T	34.8	Very low	34.4	Very low	89 Å²	89	139.9 Å²	139.9	55%	0.546	75%	0.751	S	S	.	*			trans	-96.5	133.7	156.5	52.8	0	0	0	0	110.5	A172	A172-T174 PolarHBondContact O-N 3.23Å
175	P	37.7	Very low	34.6	Very low	99 Å²	99	137.4 Å²	137.4	64%	0.643	75%	0.748	S	S	*	*			trans	-61.7	142.5	-179.3	-21.2	31.3	0	0	0	113.5	F177 M178	P175-F177 PolarHBondContact O-N 2.89Å; P175-M178 PolarHBondContact O-N 2.69Å
176	A	37.1	Very low	34.6	Very low	90 Å²	90	139.5 Å²	139.5	74%	0.744	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-12	-171.2	0	0	0	0	0	116.7
177	F	37.7	Very low	34.6	Very low	174 Å²	174	140.5 Å²	140.5	76%	0.763	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-33.9	178	-176.8	-105.7	0	0	0	112.9	P175	P175-F177 PolarHBondContact O-N 2.89Å
178	M	37.3	Very low	34.9	Very low	118 Å²	118	139.1 Å²	139.1	58%	0.581	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-27.4	-176.8	-69.8	-158.4	-72.7	0	0	113.8	P175 G180 L181	P175-M178 PolarHBondContact O-N 2.69Å; M178-G180 VanDerWaalsContact C-N 3.27Å; M178-G180 PolarHBondContact O-N 2.86Å; M178-L181 PolarHBondContact O-N 3.24Å
179	K	38.7	Very low	35.2	Very low	123 Å²	123	141.3 Å²	141.3	54%	0.535	76%	0.761	S	S	.	*	G	3₁₀ helix	trans	-65	-30.1	179.7	-115.4	174.8	179.9	171.9	0	112.6	D171 L181	D171-K179 IonicContact OD2-NZ 3.89Å; K179-L181 VanDerWaalsContact C-N 3.34Å; K179-L181 PolarHBondContact O-N 2.61Å
180	G	39.1	Very low	35.9	Very low	71 Å²	71	137.3 Å²	137.3	73%	0.732	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-76.5	-13.3	-178.1	0	0	0	0	0	115.7	M178	M178-G180 VanDerWaalsContact C-N 3.27Å; M178-G180 PolarHBondContact O-N 2.86Å
181	L	36.9	Very low	36.4	Very low	144 Å²	144	138.8 Å²	138.8	75%	0.754	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-92.5	-16.5	-174.7	-131.4	106.9	0	0	0	113.7	M178 K179	M178-L181 PolarHBondContact O-N 3.24Å; K179-L181 VanDerWaalsContact C-N 3.34Å; K179-L181 PolarHBondContact O-N 2.61Å
182	L	40.4	Very low	37.7	Very low	156 Å²	156	135.7 Å²	135.7	82%	0.817	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	-6.3	-167.1	-71.1	171.8	0	0	0	115.5
183	Q	33.9	Very low	39	Very low	149 Å²	149	133.9 Å²	133.9	70%	0.696	72%	0.719	S	S	*	*			trans	-108.3	100.1	-178.3	-108.8	156.9	-12	0	0	112.7	E185	Q183-E185 PolarHBondContact O-N 2.47Å
184	R	34	Very low	40.1	Very low	246 Å²	246	126.9 Å²	126.9	93%	0.928	70%	0.698	S	S	*	*			trans	-76.8	92.3	166.7	-173.7	179.2	-176.6	170	0.7	108.2	K186	R184-K186 PolarHBondContact O-N 3.2Å
185	E	33.5	Very low	41.4	Very low	179 Å²	179	127.7 Å²	127.7	84%	0.836	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-71.3	121.1	176.5	-76.3	-170.6	158.3	0	0	111.3	Q183	Q183-E185 PolarHBondContact O-N 2.47Å
186	K	30.6	Very low	42.5	Very low	208 Å²	208	125.2 Å²	125.2	90%	0.904	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-71.7	131	166.8	-79.6	176.6	171.2	178.5	0	108.6	R184	R184-K186 PolarHBondContact O-N 3.2Å
187	G	31.5	Very low	43.6	Very low	77 Å²	77	121.4 Å²	121.4	79%	0.794	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-65.9	133.2	178.2	0	0	0	0	0	112.3
188	A	34.7	Very low	44.7	Very low	105 Å²	105	121.2 Å²	121.2	87%	0.868	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-72.5	136.6	174	0	0	0	0	0	111.1
189	E	36.5	Very low	45.8	Very low	188 Å²	188	122.6 Å²	122.6	88%	0.879	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-60.5	133	-176.8	-64.7	175.1	159	0	0	112.1	H191	E189-H191 PolarHBondContact O-N 3.01Å
190	A	43.1	Very low	46.8	Very low	84 Å²	84	123.1 Å²	123.1	69%	0.694	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-77.4	119.9	179.3	0	0	0	0	0	110.8	S192	A190-S192 PolarHBondContact O-N 2.82Å
191	H	47.6	Very low	47.8	Very low	156 Å²	156	126.8 Å²	126.8	72%	0.722	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-57.9	131.3	171.3	-73.4	-79.9	0	0	0	111.2	E189	E189-H191 PolarHBondContact O-N 3.01Å
192	S	57.7	Low	49.1	Very low	68 Å²	68	122.3 Å²	122.3	48%	0.476	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-68.9	138.1	-175.7	56.3	0	0	0	0	112.1	A190 D194 Q195	A190-S192 PolarHBondContact O-N 2.82Å; S192-D194 PolarHBondContact O-N 3.28Å; S192-Q195 WeakPolarHBondContact O-CB 3.32Å; S192-Q195 PolarHBondContact O-N 3.49Å
193	L	59.1	Low	50.2	Low	46 Å²	46	119 Å²	119	24%	0.241	62%	0.624	C	S	.	*	H	α-helix	trans	-49.1	-35.8	-174.6	-170	75.8	0	0	0	113.6	Q195 V196 V197 K211 F214 T215	L193-Q195 VanDerWaalsContact C-N 3.31Å; L193-Q195 PolarHBondContact O-N 2.98Å; L193-V196 PolarHBondContact O-N 3.44Å; L193-V197 WeakPolarHBondContact O-CG2 3.49Å; L193-V197 PolarHBondContact O-N 2.92Å; L193-K211 HydrophobicContact CD2-CB 4.2Å; L193-K211 HydrophobicContact CD2-CD 4.4Å; L193-K211 HydrophobicContact CD2-CG 3.95Å; L193-F214 HydrophobicContact CD1-CB 4.09Å; L193-F214 HydrophobicContact CD1-CD1 3.01Å; L193-F214 HydrophobicContact CD1-CD2 4.5Å; L193-F214 HydrophobicContact CD1-CE1 3.4Å; L193-F214 VanDerWaalsContact CD1-CE1 3.4Å; L193-F214 HydrophobicContact CD1-CG 3.63Å; L193-F214 HydrophobicContact CD1-CZ 4.3Å; L193-T215 HydrophobicContact CD2-CG2 4.17Å
194	D	59.4	Low	51.7	Low	95 Å²	95	119.7 Å²	119.7	51%	0.508	63%	0.627	S	S	.	*	H	α-helix	trans	-68.5	-25.7	-177.9	-72.9	-32.3	0	0	0	113.6	S192 K198 K211	S192-D194 PolarHBondContact O-N 3.28Å; D194-K198 PolarHBondContact O-N 2.96Å; D194-K211 IonicContact OD1-NZ 3.28Å; D194-K211 PolarHBondContact OD1-NZ 3.45Å
195	Q	62.1	Low	53.2	Low	105 Å²	105	115.6 Å²	115.6	49%	0.491	62%	0.623	S	S	.	*	H	α-helix	trans	-70.5	-36.1	173.9	-72.1	-178.1	-17.7	0	0	111.5	S192 L193 L199	S192-Q195 WeakPolarHBondContact O-CB 3.32Å; S192-Q195 PolarHBondContact O-N 3.49Å; L193-Q195 VanDerWaalsContact C-N 3.31Å; L193-Q195 PolarHBondContact O-N 2.98Å; Q195-L199 PolarHBondContact O-N 3Å
196	V	61.4	Low	54.7	Low	48 Å²	48	113 Å²	113	29%	0.291	61%	0.611	S	S	.	*	H	α-helix	trans	-73.9	-34.8	-179.4	-178.9	0	0	0	0	111.4	L193	L193-V196 PolarHBondContact O-N 3.44Å
197	V	61.5	Low	56.4	Low	9 Å²	9	105.8 Å²	105.8	6%	0.055	58%	0.581	C	S	.	*	H	α-helix	trans	-69.6	-40	177.1	176.2	0	0	0	0	111.3	L193 L199 K200 Q207 F210 K211	L193-V197 WeakPolarHBondContact O-CG2 3.49Å; L193-V197 PolarHBondContact O-N 2.92Å; V197-L199 PolarHBondContact O-N 3.07Å; V197-K200 PolarHBondContact O-N 3.39Å; V197-Q207 HydrophobicContact CG1-CG 4.19Å; V197-F210 HydrophobicContact CG2-CD1 4.17Å; V197-F210 HydrophobicContact CG2-CE1 4.3Å; V197-K211 HydrophobicContact CG2-CG 4.18Å
198	K	59.9	Low	58.2	Low	170 Å²	170	109.6 Å²	109.6	74%	0.739	58%	0.578	S	S	*	*	H	α-helix	trans	-66	-34.2	176.1	-78.7	-177.3	177.2	-179.1	0	113.6	D194 K200 N201	D194-K198 PolarHBondContact O-N 2.96Å; K198-K200 PolarHBondContact O-N 3.38Å; K198-N201 PolarHBondContact O-OD1 3.22Å
199	L	60.3	Low	60.2	Low	147 Å²	147	108 Å²	108	77%	0.77	57%	0.565	S	S	*	*	H	α-helix	trans	-68.5	-20.5	178.6	-95.1	157.1	0	0	0	114	Q195 V197	Q195-L199 PolarHBondContact O-N 3Å; V197-L199 PolarHBondContact O-N 3.07Å
200	K	59.7	Low	62	Low	135 Å²	135	102.2 Å²	102.2	59%	0.587	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-2.1	-173.4	-79.9	-160	170.9	-168.6	0	115.6	V197 K198 L202	V197-K200 PolarHBondContact O-N 3.39Å; K198-K200 PolarHBondContact O-N 3.38Å; K200-L202 HydrophobicContact CB-CD1 4.31Å; K200-L202 HydrophobicContact CB-CG 4.26Å; K200-L202 PolarHBondContact O-N 2.9Å
201	N	59.7	Low	63.5	Low	147 Å²	147	101.4 Å²	101.4	79%	0.786	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	39.9	57.8	176.5	-75.6	-17.3	0	0	0	113.7	K198	K198-N201 PolarHBondContact O-OD1 3.22Å
202	L	64.4	Low	65.1	Low	50 Å²	50	98.4 Å²	98.4	26%	0.262	51%	0.511	S	S	.	.			trans	-90	141.1	179.8	-69.6	165	0	0	0	111.2	K200 Q207 F210	K200-L202 HydrophobicContact CB-CD1 4.31Å; K200-L202 HydrophobicContact CB-CG 4.26Å; K200-L202 PolarHBondContact O-N 2.9Å; L202-Q207 HydrophobicContact CB-CG 4.22Å; L202-Q207 PolarHBondContact O-NE2 3.47Å; L202-F210 HydrophobicContact CD1-CG 4.34Å
203	P	64.5	Low	66	Low	88 Å²	88	97.4 Å²	97.4	57%	0.571	51%	0.511	S	S	*	.			trans	-62.4	142.6	175.5	24.1	-31.3	0	0	0	111.6	N205 Q206	P203-N205 PolarHBondContact O-N 3.46Å; P203-Q206 PolarHBondContact O-N 2.97Å
204	E	65	Low	66.9	Low	162 Å²	162	99.2 Å²	99.2	76%	0.757	52%	0.517	S	S	*	.	H	α-helix	trans	-52.1	-36	-168.2	-75.3	-178.6	157.8	0	0	113.6	Q206 Q207	E204-Q206 PolarHBondContact O-N 3.4Å; E204-Q206 VanDerWaalsContact O-N 3.07Å; E204-Q207 PolarHBondContact O-N 3.39Å; E204-Q207 VanDerWaalsContact O-N 3.16Å
205	N	64.2	Low	67.6	Low	161 Å²	161	97.7 Å²	97.7	86%	0.861	51%	0.511	S	S	*	.	H	α-helix	trans	-64.1	-16.5	-178.3	-56.2	0.2	0	0	0	114.2	P203	P203-N205 PolarHBondContact O-N 3.46Å
206	Q	65.3	Low	68.3	Low	125 Å²	125	97.1 Å²	97.1	58%	0.584	51%	0.511	S	S	*	.	H	α-helix	trans	-112.1	-4.2	178.6	-64.8	-159.9	-9.2	0	0	114	P203 E204 F210	P203-Q206 PolarHBondContact O-N 2.97Å; E204-Q206 PolarHBondContact O-N 3.4Å; E204-Q206 VanDerWaalsContact O-N 3.07Å; Q206-F210 WeakPolarHBondContact O-CB 3.22Å; Q206-F210 PolarHBondContact O-N 2.99Å; Q206-F210 VanDerWaalsContact O-N 3.13Å
207	Q	67.8	Low	68.7	Low	55 Å²	55	96.8 Å²	96.8	26%	0.257	52%	0.518	S	S	.	.	H	α-helix	trans	-70	-38.7	-178.9	-71.6	-173.9	6.1	0	0	112.1	V197 L202 E204 F210 K211	V197-Q207 HydrophobicContact CG1-CG 4.19Å; L202-Q207 HydrophobicContact CB-CG 4.22Å; L202-Q207 PolarHBondContact O-NE2 3.47Å; E204-Q207 PolarHBondContact O-N 3.39Å; E204-Q207 VanDerWaalsContact O-N 3.16Å; Q207-F210 PolarHBondContact O-N 3.16Å; Q207-K211 WeakPolarHBondContact O-CB 3.43Å; Q207-K211 VanDerWaalsContact O-CG 3.31Å; Q207-K211 WeakPolarHBondContact O-CG 3.04Å; Q207-K211 PolarHBondContact O-N 2.75Å
208	E	69.3	Low	69.5	Low	157 Å²	157	100.6 Å²	100.6	73%	0.734	53%	0.534	S	S	*	.	H	α-helix	trans	-65.9	-45.6	177.9	-69.5	-165.8	157.9	0	0	111.8	F210 K211 T212	E208-F210 VanDerWaalsContact C-N 3.28Å; E208-F210 PolarHBondContact O-N 3.04Å; E208-K211 PolarHBondContact O-N 3Å; E208-T212 PolarHBondContact O-N 2.86Å; E208-T212 PolarHBondContact O-OG1 2.9Å
209	A	75.8	Confident	70.2	Confident	73 Å²	73	98.2 Å²	98.2	60%	0.603	53%	0.527	S	S	*	.	H	α-helix	trans	-59.9	-38.5	176	0	0	0	0	0	112.2	G213	A209-G213 PolarHBondContact O-N 3.42Å
210	F	74.2	Confident	70.7	Confident	65 Å²	65	99.4 Å²	99.4	29%	0.285	52%	0.521	S	S	.	.	H	α-helix	trans	-69	-44.1	175.7	-177.3	-95.1	0	0	0	112.4	V197 L202 Q206 Q207 E208 T212 G213 F214	V197-F210 HydrophobicContact CG2-CD1 4.17Å; V197-F210 HydrophobicContact CG2-CE1 4.3Å; L202-F210 HydrophobicContact CD1-CG 4.34Å; Q206-F210 WeakPolarHBondContact O-CB 3.22Å; Q206-F210 PolarHBondContact O-N 2.99Å; Q206-F210 VanDerWaalsContact O-N 3.13Å; Q207-F210 PolarHBondContact O-N 3.16Å; E208-F210 VanDerWaalsContact C-N 3.28Å; E208-F210 PolarHBondContact O-N 3.04Å; F210-T212 VanDerWaalsContact C-N 3.34Å; F210-T212 PolarHBondContact O-N 3Å; F210-G213 PolarHBondContact O-N 3.17Å; F210-F214 HydrophobicContact CZ-CD2 4.36Å; F210-F214 VanDerWaalsContact O-CB 3.25Å; F210-F214 WeakPolarHBondContact O-CB 3.49Å; F210-F214 PolarHBondContact O-N 3.18Å
211	K	75.7	Confident	70.9	Confident	68 Å²	68	96.1 Å²	96.1	30%	0.296	52%	0.516	S	S	.	.	H	α-helix	trans	-60.1	-45.9	177.2	-75.5	-176.8	-178.8	-166.4	0	110.5	L193 D194 V197 Q207 E208 F214 T215	L193-K211 HydrophobicContact CD2-CB 4.2Å; L193-K211 HydrophobicContact CD2-CD 4.4Å; L193-K211 HydrophobicContact CD2-CG 3.95Å; D194-K211 IonicContact OD1-NZ 3.28Å; D194-K211 PolarHBondContact OD1-NZ 3.45Å; V197-K211 HydrophobicContact CG2-CG 4.18Å; Q207-K211 WeakPolarHBondContact O-CB 3.43Å; Q207-K211 VanDerWaalsContact O-CG 3.31Å; Q207-K211 WeakPolarHBondContact O-CG 3.04Å; Q207-K211 PolarHBondContact O-N 2.75Å; E208-K211 PolarHBondContact O-N 3Å; K211-F214 PolarHBondContact O-N 3.46Å; K211-T215 WeakPolarHBondContact O-CG2 3.37Å; K211-T215 PolarHBondContact O-N 3.12Å; K211-T215 PolarHBondContact O-OG1 2.7Å
212	T	79.3	Confident	71.2	Confident	93 Å²	93	93.3 Å²	93.3	57%	0.571	50%	0.498	S	S	*	.	H	α-helix	trans	-66.9	-41.5	178.7	-43.6	0	0	0	0	112.3	E208 F210 T215 D216	E208-T212 PolarHBondContact O-N 2.86Å; E208-T212 PolarHBondContact O-OG1 2.9Å; F210-T212 VanDerWaalsContact C-N 3.34Å; F210-T212 PolarHBondContact O-N 3Å; T212-T215 WeakPolarHBondContact CA-OG1 3.3Å; T212-T215 PolarHBondContact O-OG1 3.39Å; T212-T215 VanDerWaalsContact O-OG1 3.05Å; T212-D216 WeakPolarHBondContact O-CB 3.22Å; T212-D216 PolarHBondContact O-N 2.81Å
213	G	77.1	Confident	71.4	Confident	47 Å²	47	93.1 Å²	93.1	49%	0.485	50%	0.503	S	S	.	.	H	α-helix	trans	-67.3	-35.9	175.9	0	0	0	0	0	113.2	A209 F210 G217	A209-G213 PolarHBondContact O-N 3.42Å; F210-G213 PolarHBondContact O-N 3.17Å; G213-G217 PolarHBondContact O-N 2.84Å
214	F	78.2	Confident	71.3	Confident	83 Å²	83	94.5 Å²	94.5	36%	0.364	51%	0.505	S	S	.	.	H	α-helix	trans	-71	-43.7	176.8	-173.3	-81.9	0	0	0	111.7	L193 F210 K211 G217 F218	L193-F214 HydrophobicContact CD1-CB 4.09Å; L193-F214 HydrophobicContact CD1-CD1 3.01Å; L193-F214 HydrophobicContact CD1-CD2 4.5Å; L193-F214 HydrophobicContact CD1-CE1 3.4Å; L193-F214 VanDerWaalsContact CD1-CE1 3.4Å; L193-F214 HydrophobicContact CD1-CG 3.63Å; L193-F214 HydrophobicContact CD1-CZ 4.3Å; F210-F214 HydrophobicContact CZ-CD2 4.36Å; F210-F214 VanDerWaalsContact O-CB 3.25Å; F210-F214 WeakPolarHBondContact O-CB 3.49Å; F210-F214 PolarHBondContact O-N 3.18Å; K211-F214 PolarHBondContact O-N 3.46Å; F214-G217 PolarHBondContact O-N 3.18Å; F214-F218 HydrophobicContact CD1-CB 4.47Å; F214-F218 HydrophobicContact CE1-CB 4.38Å; F214-F218 VanDerWaalsContact O-CB 3.22Å; F214-F218 WeakPolarHBondContact O-CB 3.34Å; F214-F218 PolarHBondContact O-N 2.87Å
215	T	75.1	Confident	71.2	Confident	64 Å²	64	90.3 Å²	90.3	39%	0.393	49%	0.491	S	S	.	.	H	α-helix	trans	-65.4	-43.5	178.4	51.8	0	0	0	0	111.5	L193 K211 T212 F218 M219	L193-T215 HydrophobicContact CD2-CG2 4.17Å; K211-T215 WeakPolarHBondContact O-CG2 3.37Å; K211-T215 PolarHBondContact O-N 3.12Å; K211-T215 PolarHBondContact O-OG1 2.7Å; T212-T215 WeakPolarHBondContact CA-OG1 3.3Å; T212-T215 PolarHBondContact O-OG1 3.39Å; T212-T215 VanDerWaalsContact O-OG1 3.05Å; T215-F218 PolarHBondContact O-N 2.93Å; T215-M219 WeakPolarHBondContact O-CB 3.44Å; T215-M219 VanDerWaalsContact O-CG 3.26Å; T215-M219 WeakPolarHBondContact O-CG 3.37Å; T215-M219 PolarHBondContact O-N 3.37Å
216	D	75.4	Confident	71.2	Confident	92 Å²	92	88.5 Å²	88.5	49%	0.492	48%	0.477	S	S	.	.	H	α-helix	trans	-63.3	-43.7	176.1	-168.1	42.2	0	0	0	111.5	T212 F218 M219 R220	T212-D216 WeakPolarHBondContact O-CB 3.22Å; T212-D216 PolarHBondContact O-N 2.81Å; D216-F218 PolarHBondContact O-N 3.31Å; D216-M219 PolarHBondContact O-N 3.22Å; D216-R220 WeakPolarHBondContact O-CB 3.35Å; D216-R220 PolarHBondContact O-N 2.89Å; D216-R220 IonicContact OD2-NH1 2.63Å
217	G	70.8	Confident	71	Confident	42 Å²	42	92 Å²	92	43%	0.433	49%	0.485	S	S	.	.	H	α-helix	trans	-62.8	-40.5	175.6	0	0	0	0	0	113.7	G213 F214 S221	G213-G217 PolarHBondContact O-N 2.84Å; F214-G217 PolarHBondContact O-N 3.18Å; G217-S221 WeakPolarHBondContact O-CB 3.36Å; G217-S221 PolarHBondContact O-N 2.85Å
218	F	78.3	Confident	70.6	Confident	89 Å²	89	93.3 Å²	93.3	39%	0.39	50%	0.497	S	S	.	.	H	α-helix	trans	-68.6	-43.8	178.8	-175.2	-100	0	0	0	111.9	F214 T215 D216 S221 Q222	F214-F218 HydrophobicContact CD1-CB 4.47Å; F214-F218 HydrophobicContact CE1-CB 4.38Å; F214-F218 VanDerWaalsContact O-CB 3.22Å; F214-F218 WeakPolarHBondContact O-CB 3.34Å; F214-F218 PolarHBondContact O-N 2.87Å; T215-F218 PolarHBondContact O-N 2.93Å; D216-F218 PolarHBondContact O-N 3.31Å; F218-S221 WeakPolarHBondContact O-CB 3.46Å; F218-S221 PolarHBondContact O-N 2.68Å; F218-Q222 HydrophobicContact CE1-CG 4.22Å; F218-Q222 HydrophobicContact CZ-CG 4.41Å; F218-Q222 PolarHBondContact O-N 3.21Å
219	M	74.3	Confident	70.4	Confident	120 Å²	120	91.3 Å²	91.3	59%	0.591	49%	0.487	S	S	*	.	H	α-helix	trans	-64.9	-40.2	177.2	-69.9	-61.4	-72	0	0	111.9	T215 D216 Q222 A223	T215-M219 WeakPolarHBondContact O-CB 3.44Å; T215-M219 VanDerWaalsContact O-CG 3.26Å; T215-M219 WeakPolarHBondContact O-CG 3.37Å; T215-M219 PolarHBondContact O-N 3.37Å; D216-M219 PolarHBondContact O-N 3.22Å; M219-Q222 PolarHBondContact O-N 2.97Å; M219-A223 PolarHBondContact O-N 3.08Å
220	R	71.7	Confident	69.9	Low	171 Å²	171	91.6 Å²	91.6	65%	0.645	48%	0.479	S	S	*	.	H	α-helix	trans	-64.2	-39.7	173.9	-117	168.7	173.8	145	-4.8	112.6	D216 A223 L224	D216-R220 WeakPolarHBondContact O-CB 3.35Å; D216-R220 PolarHBondContact O-N 2.89Å; D216-R220 IonicContact OD2-NH1 2.63Å; R220-A223 PolarHBondContact O-N 3.03Å; R220-L224 WeakPolarHBondContact O-CG 3.38Å; R220-L224 PolarHBondContact O-N 3.45Å; R220-L224 VanDerWaalsContact O-N 3.14Å
221	S	62.7	Low	69.6	Low	67 Å²	67	91.8 Å²	91.8	47%	0.469	49%	0.488	S	S	.	.	H	α-helix	trans	-62.3	-44.9	175.5	179.7	0	0	0	0	111.6	G217 F218 L224 T225	G217-S221 WeakPolarHBondContact O-CB 3.36Å; G217-S221 PolarHBondContact O-N 2.85Å; F218-S221 WeakPolarHBondContact O-CB 3.46Å; F218-S221 PolarHBondContact O-N 2.68Å; S221-L224 PolarHBondContact O-N 3.02Å; S221-T225 PolarHBondContact O-N 3.02Å; S221-T225 VanDerWaalsContact O-N 3.11Å; S221-T225 PolarHBondContact O-OG1 3.23Å
222	Q	66.9	Low	69.2	Low	88 Å²	88	93.2 Å²	93.2	41%	0.411	50%	0.499	S	S	.	.	H	α-helix	trans	-64.5	-42	177.8	-77.4	-161	-1.2	0	0	112.8	F218 M219 L224 T225 Q226	F218-Q222 HydrophobicContact CE1-CG 4.22Å; F218-Q222 HydrophobicContact CZ-CG 4.41Å; F218-Q222 PolarHBondContact O-N 3.21Å; M219-Q222 PolarHBondContact O-N 2.97Å; Q222-L224 VanDerWaalsContact C-N 3.3Å; Q222-L224 PolarHBondContact O-N 3Å; Q222-T225 WeakPolarHBondContact CA-OG1 3.33Å; Q222-T225 PolarHBondContact O-N 3.28Å; Q222-T225 PolarHBondContact O-OG1 3.34Å; Q222-Q226 PolarHBondContact O-N 2.99Å
223	A	67.6	Low	68.9	Low	46 Å²	46	96.6 Å²	96.6	38%	0.38	50%	0.501	S	S	.	.	H	α-helix	trans	-62	-36.4	177.3	0	0	0	0	0	112.6	M219 R220 R227	M219-A223 PolarHBondContact O-N 3.08Å; R220-A223 PolarHBondContact O-N 3.03Å; A223-R227 PolarHBondContact O-N 3.04Å
224	L	63.2	Low	68.8	Low	116 Å²	116	103.3 Å²	103.3	61%	0.607	51%	0.512	S	S	*	.	H	α-helix	trans	-67.8	-42.8	174.7	-72.2	172.2	0	0	0	111.7	R220 S221 Q222 Q226 R227 T228	R220-L224 WeakPolarHBondContact O-CG 3.38Å; R220-L224 PolarHBondContact O-N 3.45Å; R220-L224 VanDerWaalsContact O-N 3.14Å; S221-L224 PolarHBondContact O-N 3.02Å; Q222-L224 VanDerWaalsContact C-N 3.3Å; Q222-L224 PolarHBondContact O-N 3Å; L224-Q226 PolarHBondContact O-N 3.24Å; L224-R227 PolarHBondContact O-N 3.44Å; L224-T228 PolarHBondContact O-N 3.16Å; L224-T228 PolarHBondContact O-OG1 3.17Å
225	T	61.9	Low	68.6	Low	74 Å²	74	102.9 Å²	102.9	45%	0.454	52%	0.516	S	S	.	.	H	α-helix	trans	-63.8	-39.8	176.7	45.8	0	0	0	0	112.5	S221 Q222 T228 Q229	S221-T225 PolarHBondContact O-N 3.02Å; S221-T225 VanDerWaalsContact O-N 3.11Å; S221-T225 PolarHBondContact O-OG1 3.23Å; Q222-T225 WeakPolarHBondContact CA-OG1 3.33Å; Q222-T225 PolarHBondContact O-N 3.28Å; Q222-T225 PolarHBondContact O-OG1 3.34Å; T225-T228 PolarHBondContact O-N 2.85Å; T225-T228 PolarHBondContact O-OG1 2.75Å; T225-Q229 PolarHBondContact O-N 3.17Å; T225-Q229 VanDerWaalsContact O-N 3.08Å
226	Q	64.1	Low	68.8	Low	124 Å²	124	108.9 Å²	108.9	58%	0.579	53%	0.532	S	S	*	.	H	α-helix	trans	-63.7	-46.9	176.6	-80.5	-179.5	-17.8	0	0	112.3	Q222 L224 T228 Q229 D230	Q222-Q226 PolarHBondContact O-N 2.99Å; L224-Q226 PolarHBondContact O-N 3.24Å; Q226-T228 VanDerWaalsContact C-N 3.28Å; Q226-T228 PolarHBondContact O-N 2.88Å; Q226-Q229 PolarHBondContact O-N 3.49Å; Q226-Q229 VanDerWaalsContact O-N 3.15Å; Q226-D230 PolarHBondContact O-N 2.96Å
227	R	62.5	Low	69.1	Low	198 Å²	198	110 Å²	110	75%	0.747	54%	0.537	S	S	*	.	H	α-helix	trans	-59.8	-37.6	178.4	-75.3	-175.7	178.7	-176.4	0.6	112.9	A223 L224 S231	A223-R227 PolarHBondContact O-N 3.04Å; L224-R227 PolarHBondContact O-N 3.44Å; R227-S231 PolarHBondContact O-N 2.97Å
228	T	59.5	Low	69.6	Low	83 Å²	83	112.3 Å²	112.3	51%	0.509	54%	0.542	S	S	.	.	H	α-helix	trans	-70	-39	176.6	56.1	0	0	0	0	112.8	L224 T225 Q226 L232	L224-T228 PolarHBondContact O-N 3.16Å; L224-T228 PolarHBondContact O-OG1 3.17Å; T225-T228 PolarHBondContact O-N 2.85Å; T225-T228 PolarHBondContact O-OG1 2.75Å; Q226-T228 VanDerWaalsContact C-N 3.28Å; Q226-T228 PolarHBondContact O-N 2.88Å; T228-L232 WeakPolarHBondContact O-CG 3.47Å; T228-L232 PolarHBondContact O-N 3.48Å; T228-L232 VanDerWaalsContact O-N 3.16Å
229	Q	63.5	Low	69.7	Low	114 Å²	114	114 Å²	114	53%	0.533	56%	0.555	S	S	.	*	H	α-helix	trans	-69.9	-37.8	177.1	-75.8	-164.9	-16.9	0	0	112.7	T225 Q226 L232 R233	T225-Q229 PolarHBondContact O-N 3.17Å; T225-Q229 VanDerWaalsContact O-N 3.08Å; Q226-Q229 PolarHBondContact O-N 3.49Å; Q226-Q229 VanDerWaalsContact O-N 3.15Å; Q229-L232 PolarHBondContact O-N 3.27Å; Q229-R233 WeakPolarHBondContact O-CG 3.44Å; Q229-R233 PolarHBondContact O-N 2.72Å
230	D	66.4	Low	70.1	Confident	79 Å²	79	113.2 Å²	113.2	42%	0.422	55%	0.553	S	S	.	*	H	α-helix	trans	-67.6	-37.1	178.1	-72.2	-23.8	0	0	0	112.2	Q226 R233 R234	Q226-D230 PolarHBondContact O-N 2.96Å; D230-R233 PolarHBondContact O-N 3.23Å; D230-R234 WeakPolarHBondContact O-CB 3.48Å; D230-R234 VanDerWaalsContact O-CG 3.28Å; D230-R234 WeakPolarHBondContact O-CG 3.29Å; D230-R234 PolarHBondContact O-N 3.37Å
231	S	67.3	Low	70.8	Confident	69 Å²	69	108.2 Å²	108.2	48%	0.483	54%	0.541	S	S	.	.	H	α-helix	trans	-63.4	-42.4	172.8	-177.2	0	0	0	0	112	R227 R234 T235	R227-S231 PolarHBondContact O-N 2.97Å; S231-R234 PolarHBondContact O-N 3.44Å; S231-T235 WeakPolarHBondContact O-CG2 3.16Å; S231-T235 PolarHBondContact O-N 3.47Å; S231-T235 PolarHBondContact O-OG1 3.11Å
232	L	68.5	Low	71.8	Confident	98 Å²	98	110.4 Å²	110.4	51%	0.513	55%	0.547	S	S	.	.	H	α-helix	trans	-68.5	-35.6	176.8	-72.8	172.6	0	0	0	112.9	T228 Q229 T235 R236	T228-L232 WeakPolarHBondContact O-CG 3.47Å; T228-L232 PolarHBondContact O-N 3.48Å; T228-L232 VanDerWaalsContact O-N 3.16Å; Q229-L232 PolarHBondContact O-N 3.27Å; L232-T235 VanDerWaalsContact CA-OG1 3.3Å; L232-T235 WeakPolarHBondContact CA-OG1 3.37Å; L232-T235 PolarHBondContact O-OG1 3.46Å; L232-R236 WeakPolarHBondContact O-CB 3.28Å; L232-R236 VanDerWaalsContact O-CG 3.27Å; L232-R236 WeakPolarHBondContact O-CG 3.14Å; L232-R236 PolarHBondContact O-N 3.35Å
233	R	71.3	Confident	72.6	Confident	164 Å²	164	111.1 Å²	111.1	62%	0.619	55%	0.553	S	S	*	*	H	α-helix	trans	-66.8	-44.4	173.6	-75.1	178.1	-179.1	-177.9	2.1	111.2	Q229 D230 R236 L237	Q229-R233 WeakPolarHBondContact O-CG 3.44Å; Q229-R233 PolarHBondContact O-N 2.72Å; D230-R233 PolarHBondContact O-N 3.23Å; R233-R236 PolarHBondContact O-N 3.01Å; R233-L237 WeakPolarHBondContact O-CB 3.02Å; R233-L237 PolarHBondContact O-N 3.22Å
234	R	74.8	Confident	73.5	Confident	189 Å²	189	113.7 Å²	113.7	71%	0.713	56%	0.559	S	S	*	*	H	α-helix	trans	-61.5	-45.4	177.3	-74	175.9	-173.9	-167	2	112	D230 S231 L237 V238	D230-R234 WeakPolarHBondContact O-CB 3.48Å; D230-R234 VanDerWaalsContact O-CG 3.28Å; D230-R234 WeakPolarHBondContact O-CG 3.29Å; D230-R234 PolarHBondContact O-N 3.37Å; S231-R234 PolarHBondContact O-N 3.44Å; R234-L237 PolarHBondContact O-N 2.85Å; R234-V238 VanDerWaalsContact O-CG2 3.29Å; R234-V238 WeakPolarHBondContact O-CG2 3.49Å; R234-V238 PolarHBondContact O-N 2.84Å
235	T	75	Confident	74.5	Confident	74 Å²	74	113.1 Å²	113.1	45%	0.454	56%	0.556	S	S	.	*	H	α-helix	trans	-64.5	-41.8	178	46.4	0	0	0	0	112.3	S231 L232 L237 V238 L239	S231-T235 WeakPolarHBondContact O-CG2 3.16Å; S231-T235 PolarHBondContact O-N 3.47Å; S231-T235 PolarHBondContact O-OG1 3.11Å; L232-T235 VanDerWaalsContact CA-OG1 3.3Å; L232-T235 WeakPolarHBondContact CA-OG1 3.37Å; L232-T235 PolarHBondContact O-OG1 3.46Å; T235-L237 PolarHBondContact O-N 3.08Å; T235-V238 PolarHBondContact O-N 3.44Å; T235-L239 WeakPolarHBondContact O-CB 3.44Å; T235-L239 PolarHBondContact O-N 3.09Å
236	R	79.6	Confident	75.3	Confident	190 Å²	190	111.7 Å²	111.7	72%	0.717	56%	0.556	S	S	*	*	H	α-helix	trans	-63.1	-39.7	174.3	-74.4	177.5	-175.4	-171.3	1.3	112.8	L232 R233 L239 L240	L232-R236 WeakPolarHBondContact O-CB 3.28Å; L232-R236 VanDerWaalsContact O-CG 3.27Å; L232-R236 WeakPolarHBondContact O-CG 3.14Å; L232-R236 PolarHBondContact O-N 3.35Å; R233-R236 PolarHBondContact O-N 3.01Å; R236-L239 PolarHBondContact O-N 3.41Å; R236-L240 WeakPolarHBondContact O-CB 3.47Å; R236-L240 PolarHBondContact O-N 3.19Å
237	L	81.6	Confident	76	Confident	116 Å²	116	110.8 Å²	110.8	61%	0.607	55%	0.554	S	S	*	*	H	α-helix	trans	-68.2	-41.4	179.5	-134.8	156.9	0	0	0	111.3	R233 R234 T235 L239 L240 V241	R233-L237 WeakPolarHBondContact O-CB 3.02Å; R233-L237 PolarHBondContact O-N 3.22Å; R234-L237 PolarHBondContact O-N 2.85Å; T235-L237 PolarHBondContact O-N 3.08Å; L237-L239 VanDerWaalsContact C-N 3.34Å; L237-L239 PolarHBondContact O-N 3.07Å; L237-L240 PolarHBondContact O-N 3.08Å; L237-V241 HydrophobicContact CD2-CG2 4.15Å; L237-V241 VanDerWaalsContact O-CG2 3.29Å; L237-V241 WeakPolarHBondContact O-CG2 2.98Å; L237-V241 PolarHBondContact O-N 3.33Å
238	V	81.3	Confident	76.7	Confident	90 Å²	90	107.4 Å²	107.4	55%	0.545	54%	0.542	S	S	.	.	H	α-helix	trans	-61.7	-42.4	174.2	171	0	0	0	0	111.3	R234 T235 V241 L242	R234-V238 VanDerWaalsContact O-CG2 3.29Å; R234-V238 WeakPolarHBondContact O-CG2 3.49Å; R234-V238 PolarHBondContact O-N 2.84Å; T235-V238 PolarHBondContact O-N 3.44Å; V238-V241 PolarHBondContact O-N 2.88Å; V238-L242 HydrophobicContact CG1-CD1 4.2Å; V238-L242 WeakPolarHBondContact O-CG 3.4Å; V238-L242 PolarHBondContact O-N 2.93Å
239	L	79.3	Confident	77.4	Confident	124 Å²	124	105.2 Å²	105.2	65%	0.649	54%	0.536	S	S	*	.	H	α-helix	trans	-67.7	-37	-179.9	-141.6	150.4	0	0	0	111.8	T235 R236 L237 L243	T235-L239 WeakPolarHBondContact O-CB 3.44Å; T235-L239 PolarHBondContact O-N 3.09Å; R236-L239 PolarHBondContact O-N 3.41Å; L237-L239 VanDerWaalsContact C-N 3.34Å; L237-L239 PolarHBondContact O-N 3.07Å; L239-L243 WeakPolarHBondContact O-CB 3.33Å; L239-L243 PolarHBondContact O-N 3.36Å; L239-L243 VanDerWaalsContact O-N 3.07Å
240	L	83.9	Confident	77.7	Confident	104 Å²	104	106 Å²	106	55%	0.545	54%	0.543	S	S	.	.	H	α-helix	trans	-68.3	-39.6	174.6	-170.3	148.9	0	0	0	112	R236 L237 L243 L244	R236-L240 WeakPolarHBondContact O-CB 3.47Å; R236-L240 PolarHBondContact O-N 3.19Å; L237-L240 PolarHBondContact O-N 3.08Å; L240-L243 PolarHBondContact O-N 3.31Å; L240-L244 HydrophobicContact CD2-CD1 3.66Å; L240-L244 HydrophobicContact CD2-CG 4.3Å; L240-L244 WeakPolarHBondContact O-CG 3.43Å; L240-L244 PolarHBondContact O-N 2.9Å
241	V	86.9	Confident	77.7	Confident	66 Å²	66	106.6 Å²	106.6	40%	0.4	55%	0.553	S	S	.	*	H	α-helix	trans	-66.3	-42.3	175.6	170.5	0	0	0	0	111.3	L237 V238 L243 L244 I245	L237-V241 HydrophobicContact CD2-CG2 4.15Å; L237-V241 VanDerWaalsContact O-CG2 3.29Å; L237-V241 WeakPolarHBondContact O-CG2 2.98Å; L237-V241 PolarHBondContact O-N 3.33Å; V238-V241 PolarHBondContact O-N 2.88Å; V241-L243 VanDerWaalsContact C-N 3.3Å; V241-L243 PolarHBondContact O-N 2.98Å; V241-L244 PolarHBondContact O-N 3.48Å; V241-I245 HydrophobicContact CG1-CD1 3.72Å; V241-I245 HydrophobicContact CG1-CG1 4.36Å; V241-I245 VanDerWaalsContact O-CG1 3.28Å; V241-I245 WeakPolarHBondContact O-CG1 3.49Å; V241-I245 PolarHBondContact O-N 3.37Å
242	L	82.4	Confident	77.7	Confident	113 Å²	113	112.1 Å²	112.1	59%	0.592	56%	0.564	S	S	*	*	H	α-helix	trans	-61	-38.9	174.4	-79.3	170.5	0	0	0	112.3	V238 I245 G246	V238-L242 HydrophobicContact CG1-CD1 4.2Å; V238-L242 WeakPolarHBondContact O-CG 3.4Å; V238-L242 PolarHBondContact O-N 2.93Å; L242-I245 PolarHBondContact O-N 2.82Å; L242-G246 PolarHBondContact O-N 3.13Å
243	L	84.8	Confident	77.1	Confident	102 Å²	102	111.1 Å²	111.1	53%	0.534	56%	0.562	S	S	.	*	H	α-helix	trans	-65.3	-42.7	176.2	-174.1	149.2	0	0	0	111.6	L239 L240 V241 G246 I247	L239-L243 WeakPolarHBondContact O-CB 3.33Å; L239-L243 PolarHBondContact O-N 3.36Å; L239-L243 VanDerWaalsContact O-N 3.07Å; L240-L243 PolarHBondContact O-N 3.31Å; V241-L243 VanDerWaalsContact C-N 3.3Å; V241-L243 PolarHBondContact O-N 2.98Å; L243-G246 PolarHBondContact O-N 3.41Å; L243-I247 HydrophobicContact CD2-CD1 3.55Å; L243-I247 HydrophobicContact CD2-CG1 4.47Å; L243-I247 HydrophobicContact CG-CD1 4.44Å; L243-I247 WeakPolarHBondContact O-CG1 3.47Å; L243-I247 PolarHBondContact O-N 3.49Å
244	L	84.8	Confident	76.1	Confident	100 Å²	100	109.3 Å²	109.3	52%	0.524	57%	0.571	S	S	.	*	H	α-helix	trans	-67.3	-38.3	176.3	-71.8	175	0	0	0	112.5	L240 V241 G246 I247 Y248	L240-L244 HydrophobicContact CD2-CD1 3.66Å; L240-L244 HydrophobicContact CD2-CG 4.3Å; L240-L244 WeakPolarHBondContact O-CG 3.43Å; L240-L244 PolarHBondContact O-N 2.9Å; V241-L244 PolarHBondContact O-N 3.48Å; L244-G246 VanDerWaalsContact C-N 3.34Å; L244-I247 PolarHBondContact O-N 3Å; L244-Y248 WeakPolarHBondContact O-CB 3.47Å; L244-Y248 PolarHBondContact O-N 3.39Å
245	I	85	Confident	74.9	Confident	104 Å²	104	109.6 Å²	109.6	53%	0.533	58%	0.578	S	S	.	*	H	α-helix	trans	-64.9	-39.6	173.9	-67.8	167.2	0	0	0	110.5	V241 L242 Y248 G249	V241-I245 HydrophobicContact CG1-CD1 3.72Å; V241-I245 HydrophobicContact CG1-CG1 4.36Å; V241-I245 VanDerWaalsContact O-CG1 3.28Å; V241-I245 WeakPolarHBondContact O-CG1 3.49Å; V241-I245 PolarHBondContact O-N 3.37Å; L242-I245 PolarHBondContact O-N 2.82Å; I245-Y248 PolarHBondContact O-N 2.94Å; I245-G249 PolarHBondContact O-N 3.25Å
246	G	77.9	Confident	73.7	Confident	45 Å²	45	113.4 Å²	113.4	46%	0.464	60%	0.595	S	S	.	*	H	α-helix	trans	-62	-44.4	175.3	0	0	0	0	0	112.8	L242 L243 L244 G249 L250	L242-G246 PolarHBondContact O-N 3.13Å; L243-G246 PolarHBondContact O-N 3.41Å; L244-G246 VanDerWaalsContact C-N 3.34Å; G246-G249 PolarHBondContact O-N 3.44Å; G246-L250 PolarHBondContact O-N 3.04Å
247	I	79.3	Confident	72	Confident	104 Å²	104	110.4 Å²	110.4	53%	0.533	60%	0.603	S	S	.	*	H	α-helix	trans	-67.3	-41.3	177	-66.1	171	0	0	0	111.2	L243 L244 L250 S251	L243-I247 HydrophobicContact CD2-CD1 3.55Å; L243-I247 HydrophobicContact CD2-CG1 4.47Å; L243-I247 HydrophobicContact CG-CD1 4.44Å; L243-I247 WeakPolarHBondContact O-CG1 3.47Å; L243-I247 PolarHBondContact O-N 3.49Å; L244-I247 PolarHBondContact O-N 3Å; I247-L250 PolarHBondContact O-N 2.92Å; I247-S251 PolarHBondContact O-N 3.43Å
248	Y	78.4	Confident	69.9	Low	128 Å²	128	108.1 Å²	108.1	50%	0.502	61%	0.607	S	S	.	*	H	α-helix	trans	-67.4	-36.3	176.1	-175.7	-99	0	0	0	112.5	L244 I245 S251 R252	L244-Y248 WeakPolarHBondContact O-CB 3.47Å; L244-Y248 PolarHBondContact O-N 3.39Å; I245-Y248 PolarHBondContact O-N 2.94Å; Y248-S251 PolarHBondContact O-N 3.43Å; Y248-S251 PolarHBondContact O-OG 3.49Å; Y248-S251 VanDerWaalsContact O-OG 3.05Å; Y248-R252 PolarHBondContact O-N 2.92Å; Y248-R252 PolarHBondContact OH-NH1 3.25Å; Y248-R252 VanDerWaalsContact OH-NH1 3.09Å
249	G	74	Confident	68.2	Low	36 Å²	36	114.6 Å²	114.6	37%	0.371	63%	0.628	S	S	.	*	H	α-helix	trans	-63.4	-43	172.5	0	0	0	0	0	111.7	I245 G246 S251 R252 T253	I245-G249 PolarHBondContact O-N 3.25Å; G246-G249 PolarHBondContact O-N 3.44Å; G249-S251 VanDerWaalsContact C-N 3.34Å; G249-S251 PolarHBondContact O-N 2.92Å; G249-R252 PolarHBondContact O-N 3.3Å; G249-T253 WeakPolarHBondContact O-CG2 3.35Å; G249-T253 PolarHBondContact O-N 3.41Å
250	L	68.6	Low	66.2	Low	132 Å²	132	112.1 Å²	112.1	69%	0.691	63%	0.632	S	S	*	*	H	α-helix	trans	-63.2	-39.9	176.9	-137.4	83.7	0	0	0	112	G246 I247 R252 T253	G246-L250 PolarHBondContact O-N 3.04Å; I247-L250 PolarHBondContact O-N 2.92Å; L250-R252 VanDerWaalsContact C-N 3.32Å; L250-R252 PolarHBondContact O-N 3.45Å; L250-T253 PolarHBondContact O-OG1 2.97Å; L250-T253 VanDerWaalsContact O-OG1 3.14Å
251	S	67.7	Low	64	Low	90 Å²	90	110.8 Å²	110.8	63%	0.629	63%	0.632	S	S	*	*	H	α-helix	trans	-74.7	-17	-178.8	72.5	0	0	0	0	114.4	I247 Y248 G249	I247-S251 PolarHBondContact O-N 3.43Å; Y248-S251 PolarHBondContact O-N 3.43Å; Y248-S251 PolarHBondContact O-OG 3.49Å; Y248-S251 VanDerWaalsContact O-OG 3.05Å; G249-S251 VanDerWaalsContact C-N 3.34Å; G249-S251 PolarHBondContact O-N 2.92Å
252	R	65.6	Low	61.8	Low	185 Å²	185	115.9 Å²	115.9	70%	0.698	65%	0.649	S	S	*	*	H	α-helix	trans	-101.6	-5.2	178.6	-110.2	-158.5	178.9	157.9	3.1	115.5	Y248 G249 L250	Y248-R252 PolarHBondContact O-N 2.92Å; Y248-R252 PolarHBondContact OH-NH1 3.25Å; Y248-R252 VanDerWaalsContact OH-NH1 3.09Å; G249-R252 PolarHBondContact O-N 3.3Å; L250-R252 VanDerWaalsContact C-N 3.32Å; L250-R252 PolarHBondContact O-N 3.45Å
253	T	55.8	Low	59.8	Low	78 Å²	78	114.7 Å²	114.7	48%	0.479	65%	0.65	S	S	.	*	S	Bend	trans	-76.4	125.8	172.7	54.8	0	0	0	0	110.5	G249 L250 F255	G249-T253 WeakPolarHBondContact O-CG2 3.35Å; G249-T253 PolarHBondContact O-N 3.41Å; L250-T253 PolarHBondContact O-OG1 2.97Å; L250-T253 VanDerWaalsContact O-OG1 3.14Å; T253-F255 PolarHBondContact O-N 2.79Å
254	P	51.3	Low	57.6	Low	125 Å²	125	115 Å²	115	81%	0.812	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	34.8	-175.9	33.4	-35.1	0	0	0	112.9
255	F	50	Low	55.6	Low	195 Å²	195	114 Å²	114	86%	0.855	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	3.7	-179.7	-136.9	-92.2	0	0	0	113.4	T253	T253-F255 PolarHBondContact O-N 2.79Å
256	L	49.3	Very low	53.5	Low	154 Å²	154	113.7 Å²	113.7	81%	0.806	66%	0.661	S	S	*	*			trans	-130.3	31.1	-176.1	-86.2	154.3	0	0	0	113.2	G258	L256-G258 PolarHBondContact O-N 3.3Å
257	S	44.2	Very low	51.3	Low	128 Å²	128	120.8 Å²	120.8	90%	0.895	67%	0.674	S	S	*	*			trans	-97	75.9	166.4	-92.5	0	0	0	0	110.7
258	G	37	Very low	49.2	Very low	67 Å²	67	124 Å²	124	69%	0.691	68%	0.684	S	S	*	*	S	Bend	trans	-145.2	116.7	168.5	0	0	0	0	0	109.4	L256 G260	L256-G258 PolarHBondContact O-N 3.3Å; G258-G260 PolarHBondContact O-N 3.03Å
259	K	45	Very low	47	Very low	226 Å²	226	128.5 Å²	128.5	98%	0.983	70%	0.701	S	S	*	*			trans	-42.5	114.1	-179.3	-76.8	169.8	168.8	173.1	0	113.1
260	G	38.4	Very low	45.1	Very low	72 Å²	72	131.5 Å²	131.5	74%	0.742	71%	0.712	S	S	*	*			trans	-170.8	129.2	168.8	0	0	0	0	0	110.9	G258	G258-G260 PolarHBondContact O-N 3.03Å
261	S	37.2	Very low	43.6	Very low	77 Å²	77	130.2 Å²	130.2	54%	0.538	71%	0.709	S	S	.	*			trans	-59.5	139.2	-171.6	-172.6	0	0	0	0	113.7	S263 D264	S261-S263 PolarHBondContact O-N 3.44Å; S261-S263 PolarHBondContact OG-OG 2.92Å; S261-D264 PolarHBondContact O-N 3.09Å; S261-D264 VanDerWaalsContact O-N 3.08Å
262	F	40	Very low	42	Very low	173 Å²	173	131.6 Å²	131.6	76%	0.759	71%	0.714	S	S	*	*	H	α-helix	trans	-61.9	-14.2	177.8	-157.7	-96.7	0	0	0	113.4	D264 V266	F262-D264 VanDerWaalsContact C-N 3.34Å; F262-V266 HydrophobicContact CD1-CG2 4.47Å; F262-V266 HydrophobicContact CE1-CG2 4.22Å
263	S	40.6	Very low	40.6	Very low	88 Å²	88	125 Å²	125	62%	0.615	70%	0.704	S	S	*	*	H	α-helix	trans	-73.2	-19.2	174	55.8	0	0	0	0	114.3	S261	S261-S263 PolarHBondContact O-N 3.44Å; S261-S263 PolarHBondContact OG-OG 2.92Å
264	D	38.7	Very low	39.8	Very low	107 Å²	107	125.8 Å²	125.8	57%	0.572	71%	0.705	S	S	*	*	H	α-helix	trans	-92.7	-16.9	175.2	-86.1	-36.8	0	0	0	113.3	S261 F262 R267	S261-D264 PolarHBondContact O-N 3.09Å; S261-D264 VanDerWaalsContact O-N 3.08Å; F262-D264 VanDerWaalsContact C-N 3.34Å; D264-R267 IonicContact OD1-NH2 2.85Å
265	A	43.1	Very low	39.3	Very low	80 Å²	80	125.7 Å²	125.7	66%	0.661	70%	0.697	S	S	*	*	H	α-helix	trans	-84.7	-14.1	178.8	0	0	0	0	0	113.7
266	V	41.1	Very low	38.9	Very low	97 Å²	97	120.6 Å²	120.6	59%	0.588	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	40.6	172	-163	0	0	0	0	110.3	F262 F268	F262-V266 HydrophobicContact CD1-CG2 4.47Å; F262-V266 HydrophobicContact CE1-CG2 4.22Å; V266-F268 PolarHBondContact O-N 3.38Å
267	R	31.3	Very low	38.6	Very low	195 Å²	195	115.7 Å²	115.7	74%	0.736	67%	0.667	S	S	*	*			trans	-77.7	92.2	141.3	-75.7	-172.1	-150.4	173.8	11.4	106.3	D264 R269	D264-R267 IonicContact OD1-NH2 2.85Å; R267-R269 VanDerWaalsContact C-N 3.32Å; R267-R269 PolarHBondContact O-N 2.92Å
268	F	34.9	Very low	39	Very low	170 Å²	170	111.3 Å²	111.3	75%	0.746	64%	0.635	S	S	*	*			trans	-44.4	105.2	157.9	-142.6	-95.7	0	0	0	106.4	V266 T270	V266-F268 PolarHBondContact O-N 3.38Å; F268-T270 HydrophobicContact CD1-CG2 3.87Å; F268-T270 PolarHBondContact O-N 2.71Å
269	R	34.1	Very low	39.7	Very low	224 Å²	224	114.2 Å²	114.2	85%	0.845	64%	0.635	S	S	*	*			trans	-65.5	76.1	163	-100.3	178	160.8	163	-5.4	105.8	R267 T271	R267-R269 VanDerWaalsContact C-N 3.32Å; R267-R269 PolarHBondContact O-N 2.92Å; R269-T271 PolarHBondContact O-N 3.21Å
270	T	32.4	Very low	40.3	Very low	99 Å²	99	106.2 Å²	106.2	61%	0.607	61%	0.606	S	S	*	*			trans	-56.9	97.8	147.7	44.8	0	0	0	0	105.2	F268 T272	F268-T270 HydrophobicContact CD1-CG2 3.87Å; F268-T270 PolarHBondContact O-N 2.71Å; T270-T272 PolarHBondContact O-N 3.41Å
271	T	37.1	Very low	41.3	Very low	104 Å²	104	105.9 Å²	105.9	64%	0.638	59%	0.587	S	S	*	*			trans	27.6	88.2	149.8	56.4	0	0	0	0	114.7	R269 G273 L274	R269-T271 PolarHBondContact O-N 3.21Å; T271-G273 PolarHBondContact O-N 2.88Å; T271-L274 PolarHBondContact O-N 2.79Å
272	T	35.5	Very low	41.9	Very low	120 Å²	120	111.7 Å²	111.7	74%	0.736	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	51.3	154.9	49.1	0	0	0	0	110.1	T270	T270-T272 PolarHBondContact O-N 3.41Å
273	G	35.4	Very low	42.6	Very low	46 Å²	46	107.7 Å²	107.7	47%	0.474	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-123.7	5.5	167.4	0	0	0	0	0	111.3	T271	T271-G273 PolarHBondContact O-N 2.88Å
274	L	39.1	Very low	43.2	Very low	95 Å²	95	113 Å²	113	50%	0.497	60%	0.602	S	S	.	*	S	Bend	trans	-101.2	-25.9	172.4	-123.3	83.5	0	0	0	112.8	T271	T271-L274 PolarHBondContact O-N 2.79Å
275	D	40.1	Very low	44.8	Very low	123 Å²	123	113.1 Å²	113.1	66%	0.658	60%	0.602	S	S	*	*			trans	-104	69.2	174.9	-64.6	-32	0	0	0	109	A277	D275-A277 PolarHBondContact O-N 3.29Å
276	S	43.2	Very low	46.9	Very low	87 Å²	87	110.4 Å²	110.4	61%	0.608	58%	0.578	S	S	*	*			trans	-71.2	85.6	153.9	-54.4	0	0	0	0	105.7	V278	S276-V278 PolarHBondContact O-N 2.91Å; S276-V278 VanDerWaalsContact O-N 3.12Å
277	A	41.5	Very low	49.3	Very low	51 Å²	51	107.3 Å²	107.3	42%	0.421	56%	0.559	S	S	.	*			trans	-52.1	121.1	159.9	0	0	0	0	0	105.5	D275 D279	D275-A277 PolarHBondContact O-N 3.29Å; A277-D279 PolarHBondContact O-N 2.97Å
278	V	53.8	Low	52.2	Low	37 Å²	37	98.7 Å²	98.7	22%	0.224	53%	0.527	C	S	.	.			trans	-78.8	81.7	-179.2	-178.7	0	0	0	0	104.5	S276 Y351 L373 E376	S276-V278 PolarHBondContact O-N 2.91Å; S276-V278 VanDerWaalsContact O-N 3.12Å; V278-Y351 HydrophobicContact CB-CD1 4.36Å; V278-Y351 HydrophobicContact CG1-CD1 4.06Å; V278-Y351 WeakPolarHBondContact O-CD1 3.33Å; V278-Y351 VanDerWaalsContact O-CE1 3.29Å; V278-Y351 WeakPolarHBondContact O-CE1 3.33Å; V278-L373 HydrophobicContact CB-CD1 4.23Å; V278-L373 HydrophobicContact CG1-CD1 4.3Å; V278-L373 HydrophobicContact CG2-CD1 4.2Å; V278-E376 PolarHBondContact N-OE2 2.71Å
279	D	51.1	Low	54.8	Low	127 Å²	127	97.1 Å²	97.1	68%	0.679	52%	0.522	S	S	*	.			trans	-55.1	128.9	177.2	-76.5	-31	0	0	0	107.8	A277 I281	A277-D279 PolarHBondContact O-N 2.97Å; D279-I281 PolarHBondContact O-N 3.48Å
280	P	56.9	Low	57.5	Low	58 Å²	58	89.5 Å²	89.5	38%	0.377	50%	0.496	S	S	.	.			trans	-58.6	120.2	179.8	24.1	-32.3	0	0	0	107.2	Q282 P349 Y351	P280-Q282 PolarHBondContact O-N 3.43Å; P280-P349 HydrophobicContact CB-CB 4.49Å; P280-Y351 HydrophobicContact CB-CE1 4.28Å
281	I	59.9	Low	60.3	Low	66 Å²	66	85.1 Å²	85.1	34%	0.338	47%	0.469	S	S	.	.			trans	-70.5	104.7	-175	-44.4	176.1	0	0	0	106.9	D279 M283 Y352	D279-I281 PolarHBondContact O-N 3.48Å; I281-M283 HydrophobicContact CB-CG 3.98Å; I281-M283 HydrophobicContact CD1-CE 4.3Å; I281-M283 HydrophobicContact CG2-CE 3.54Å; I281-M283 HydrophobicContact CG2-CG 3.28Å; I281-M283 HydrophobicContact CG2-SD 4.19Å; I281-M283 PolarHBondContact O-N 3.19Å; I281-Y352 HydrophobicContact CD1-CG 4.43Å
282	Q	50.6	Low	63	Low	199 Å²	199	83.2 Å²	83.2	93%	0.93	45%	0.452	S	S	*	.			trans	-68.6	79	169.4	-73.9	-172.5	-6.4	0	0	108.7	P280	P280-Q282 PolarHBondContact O-N 3.43Å
283	M	54.3	Low	65.4	Low	89 Å²	89	78.3 Å²	78.3	44%	0.438	43%	0.425	S	S	.	.			trans	-92.2	143.6	174.9	-70	-122.5	-173	0	0	109.7	I281 N285 R340	I281-M283 HydrophobicContact CB-CG 3.98Å; I281-M283 HydrophobicContact CD1-CE 4.3Å; I281-M283 HydrophobicContact CG2-CE 3.54Å; I281-M283 HydrophobicContact CG2-CG 3.28Å; I281-M283 HydrophobicContact CG2-SD 4.19Å; I281-M283 PolarHBondContact O-N 3.19Å; M283-N285 PolarHBondContact O-N 2.93Å; M283-R340 VanDerWaalsContact CE-NH2 3.31Å; M283-R340 PolarHBondContact SD-NH1 2.95Å; M283-R340 PolarHBondContact SD-NH2 2.85Å
284	K	54.1	Low	68.1	Low	199 Å²	199	76.5 Å²	76.5	87%	0.865	41%	0.405	S	S	*	.			trans	-43.2	125	168.5	-81.1	179.3	173.2	179	0	109.6	V286	K284-V286 PolarHBondContact O-N 2.87Å
285	N	71.3	Confident	70.6	Confident	109 Å²	109	75.5 Å²	75.5	58%	0.583	40%	0.397	S	S	*	.			trans	-50.6	101.2	-174.3	-62.6	6.5	0	0	0	111.2	M283	M283-N285 PolarHBondContact O-N 2.93Å
286	V	87.4	Confident	73	Confident	24 Å²	24	75.6 Å²	75.6	15%	0.145	39%	0.394	C	S	.	.			trans	-80.7	126.4	168.3	179.7	0	0	0	0	106.4	K284 H290 L337 A341 G344	K284-V286 PolarHBondContact O-N 2.87Å; V286-H290 HydrophobicContact CG1-CB 4.03Å; V286-L337 HydrophobicContact CG1-CD1 3.84Å; V286-L337 HydrophobicContact CG1-CG 4.45Å; V286-A341 HydrophobicContact CG1-CB 4.22Å; V286-A341 WeakPolarHBondContact O-CA 3.44Å; V286-G344 WeakPolarHBondContact O-CA 3.32Å
287	T	91.3	Very high	75.4	Confident	31 Å²	31	71.6 Å²	71.6	19%	0.19	37%	0.366	C	S	.	.			trans	-113.7	173.5	179.3	52.4	0	0	0	0	110.6	E289 H290 E345	T287-E289 PolarHBondContact O-N 3.38Å; T287-H290 PolarHBondContact N-ND1 2.93Å; T287-H290 PolarHBondContact O-N 3.13Å; T287-H290 VanDerWaalsContact O-N 3.08Å; T287-E345 VanDerWaalsContact CB-OE1 3.26Å; T287-E345 WeakPolarHBondContact CB-OE1 3.35Å
288	F	91.9	Very high	77.8	Confident	14 Å²	14	70 Å²	70	6%	0.061	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-64.5	-19.7	177.6	-75.9	-32.4	0	0	0	113	H290 V291 K298 L301 Q302 V305 L338 A341 V342 E345	F288-H290 PolarHBondContact O-N 3.29Å; F288-V291 PolarHBondContact O-N 3.13Å; F288-V291 VanDerWaalsContact O-O 3.06Å; F288-K298 HydrophobicContact CD1-CG 4.33Å; F288-K298 WeakPolarHBondContact O-CE 3.36Å; F288-K298 PolarHBondContact O-NZ 3.26Å; F288-L301 HydrophobicContact CZ-CB 4.07Å; F288-Q302 VanDerWaalsContact CE2-OE1 3.31Å; F288-V305 HydrophobicContact CE2-CG2 3.75Å; F288-V305 HydrophobicContact CZ-CG2 3.72Å; F288-L338 HydrophobicContact CD1-CD1 4.38Å; F288-L338 HydrophobicContact CE1-CD1 4.08Å; F288-A341 HydrophobicContact CD1-CB 3.6Å; F288-A341 HydrophobicContact CE1-CB 3.99Å; F288-V342 HydrophobicContact CE1-CG2 3.81Å; F288-V342 HydrophobicContact CZ-CG2 3.84Å; F288-E345 HydrophobicContact CB-CG 4.17Å; F288-E345 HydrophobicContact CD1-CG 4.34Å; F288-E345 HydrophobicContact CD2-CG 3.66Å; F288-E345 HydrophobicContact CE2-CG 4.1Å; F288-E345 HydrophobicContact CG-CG 3.77Å; F288-E345 PolarHBondContact N-OE1 3.49Å
289	E	90.4	Very high	79.6	Confident	138 Å²	138	73.3 Å²	73.3	65%	0.645	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-61.3	-30.7	172.5	-63.6	-171.9	166.7	0	0	112.8	T287 K292	T287-E289 PolarHBondContact O-N 3.38Å; E289-K292 WeakPolarHBondContact O-CE 3.35Å; E289-K292 PolarHBondContact O-NZ 2.86Å
290	H	89.4	Confident	81.6	Confident	63 Å²	63	71.4 Å²	71.4	29%	0.292	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-82.3	-16	-178.9	-62.2	148.3	0	0	0	113.8	V286 T287 F288 W468	V286-H290 HydrophobicContact CG1-CB 4.03Å; T287-H290 PolarHBondContact N-ND1 2.93Å; T287-H290 PolarHBondContact O-N 3.13Å; T287-H290 VanDerWaalsContact O-N 3.08Å; F288-H290 PolarHBondContact O-N 3.29Å; H290-W468 HydrophobicContact CB-CZ2 4.33Å; H290-W468 AromaticContact CD2-CH2 3.34Å; H290-W468 WeakPolarHBondContact CD2-CH2 3.45Å; H290-W468 AromaticContact CD2-CZ2 3.38Å; H290-W468 WeakPolarHBondContact CD2-CZ2 3.47Å; H290-W468 AromaticContact NE2-CH2 3.96Å
291	V	92.1	Very high	83.3	Confident	7 Å²	7	68.7 Å²	68.7	4%	0.042	34%	0.335	C	S	.	.			trans	-91	129.5	173.5	-175.8	0	0	0	0	106.9	F288 K298 L337 L338 A341	F288-V291 PolarHBondContact O-N 3.13Å; F288-V291 VanDerWaalsContact O-O 3.06Å; V291-K298 WeakPolarHBondContact O-CE 3.18Å; V291-K298 PolarHBondContact O-NZ 2.96Å; V291-L337 HydrophobicContact CG2-CD2 4.12Å; V291-L337 HydrophobicContact CG2-CG 4.02Å; V291-L338 HydrophobicContact CG1-CD1 4.15Å; V291-L338 HydrophobicContact CG2-CD1 4.43Å; V291-A341 HydrophobicContact CG2-CB 3.74Å
292	K	92.9	Very high	84.8	Confident	65 Å²	65	69.3 Å²	69.3	28%	0.283	34%	0.337	S	S	.	.			trans	-126.7	150.7	-179.7	-62.2	-58.9	-172.2	-160.1	0	110.3	E289 V294 E464 I465 W468	E289-K292 WeakPolarHBondContact O-CE 3.35Å; E289-K292 PolarHBondContact O-NZ 2.86Å; K292-V294 PolarHBondContact O-N 3.32Å; K292-E464 HydrophobicContact CB-CB 4.04Å; K292-I465 HydrophobicContact CB-CG1 3.82Å; K292-I465 WeakPolarHBondContact O-CG1 3.24Å; K292-W468 HydrophobicContact CG-CB 4.2Å; K292-W468 HydrophobicContact CG-CG 4.45Å
293	G	87.3	Confident	86.5	Confident	16 Å²	16	64.8 Å²	64.8	17%	0.165	32%	0.319	C	S	.	.	S	Bend	trans	74.4	16.1	172.6	0	0	0	0	0	117	G461 E464	G293-G461 VanDerWaalsContact CA-CA 3.41Å; G293-E464 PolarHBondContact N-OE2 3Å
294	V	91.6	Very high	88.1	Confident	9 Å²	9	60.9 Å²	60.9	6%	0.055	30%	0.3	C	S	.	.			trans	-137.1	61.1	176	-160.5	0	0	0	0	110.1	K292 A297 K298 V454	K292-V294 PolarHBondContact O-N 3.32Å; V294-A297 HydrophobicContact CG1-CB 3.41Å; V294-A297 VanDerWaalsContact CG1-CB 3.41Å; V294-K298 VanDerWaalsContact O-CG 3.3Å; V294-K298 WeakPolarHBondContact O-CG 3.42Å; V294-K298 PolarHBondContact O-N 3.03Å; V294-V454 HydrophobicContact CG1-CG1 4.04Å; V294-V454 HydrophobicContact CG2-CG1 4.33Å
295	E	90.7	Very high	89.9	Confident	73 Å²	73	51.4 Å²	51.4	34%	0.341	26%	0.259	S	S	.	.	H	α-helix	trans	-70.9	-34.7	-172.3	-62.3	-53.5	126.7	0	0	112.6	K298 N299	E295-K298 PolarHBondContact O-N 2.79Å; E295-K298 IonicContact OE1-NZ 3.73Å; E295-K298 PolarHBondContact OE1-NZ 3.3Å; E295-K298 IonicContact OE2-NZ 3.76Å; E295-N299 PolarHBondContact O-N 3.41Å; E295-N299 PolarHBondContact O-ND2 3.18Å
296	E	91.3	Very high	90.7	Very high	126 Å²	126	49.2 Å²	49.2	59%	0.589	25%	0.245	S	C	*	.	H	α-helix	trans	-62.6	-49.8	177.9	-62.3	75.1	-164.5	0	0	111.1	K298 N299 E300	E296-K298 VanDerWaalsContact C-N 3.3Å; E296-K298 PolarHBondContact O-N 2.77Å; E296-N299 PolarHBondContact O-N 2.87Å; E296-E300 PolarHBondContact O-N 2.94Å; E296-E300 VanDerWaalsContact O-N 3.13Å
297	A	92.6	Very high	90.6	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-65.7	-33.8	178.5	0	0	0	0	0	112.2	V294 L301 L338 V452 V454	V294-A297 HydrophobicContact CG1-CB 3.41Å; V294-A297 VanDerWaalsContact CG1-CB 3.41Å; A297-L301 WeakPolarHBondContact O-CB 3.36Å; A297-L301 VanDerWaalsContact O-CG 3.24Å; A297-L301 WeakPolarHBondContact O-CG 3.42Å; A297-L301 PolarHBondContact O-N 3.44Å; A297-L301 VanDerWaalsContact O-N 3.13Å; A297-L338 HydrophobicContact CB-CD2 4.02Å; A297-V452 HydrophobicContact CB-CG1 3.58Å; A297-V454 HydrophobicContact CB-CG2 4.32Å
298	K	92.4	Very high	90.3	Very high	17 Å²	17	47.9 Å²	47.9	7%	0.074	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-45	173.5	-76.3	173.7	-179.2	176.6	0	111.8	F288 V291 V294 E295 E296 E300 L301 Q302 L338	F288-K298 HydrophobicContact CD1-CG 4.33Å; F288-K298 WeakPolarHBondContact O-CE 3.36Å; F288-K298 PolarHBondContact O-NZ 3.26Å; V291-K298 WeakPolarHBondContact O-CE 3.18Å; V291-K298 PolarHBondContact O-NZ 2.96Å; V294-K298 VanDerWaalsContact O-CG 3.3Å; V294-K298 WeakPolarHBondContact O-CG 3.42Å; V294-K298 PolarHBondContact O-N 3.03Å; E295-K298 PolarHBondContact O-N 2.79Å; E295-K298 IonicContact OE1-NZ 3.73Å; E295-K298 PolarHBondContact OE1-NZ 3.3Å; E295-K298 IonicContact OE2-NZ 3.76Å; E296-K298 VanDerWaalsContact C-N 3.3Å; E296-K298 PolarHBondContact O-N 2.77Å; K298-E300 VanDerWaalsContact C-N 3.32Å; K298-E300 PolarHBondContact O-N 3.4Å; K298-L301 CarbonylContact O-C 3.58Å; K298-L301 PolarHBondContact O-N 3.48Å; K298-L301 VanDerWaalsContact O-N 3.15Å; K298-Q302 WeakPolarHBondContact O-CB 3.24Å; K298-Q302 PolarHBondContact O-N 2.91Å; K298-L338 HydrophobicContact CG-CD1 4.11Å
299	N	92.6	Very high	90.1	Very high	108 Å²	108	52 Å²	52	58%	0.578	25%	0.253	S	S	*	.	H	α-helix	trans	-61	-43.2	-179.9	-71.6	-27.8	0	0	0	111.2	E295 E296 L301 Q302	E295-N299 PolarHBondContact O-N 3.41Å; E295-N299 PolarHBondContact O-ND2 3.18Å; E296-N299 PolarHBondContact O-N 2.87Å; N299-L301 VanDerWaalsContact C-N 3.32Å; N299-L301 PolarHBondContact O-N 2.97Å; N299-Q302 WeakPolarHBondContact O-CB 3.3Å; N299-Q302 PolarHBondContact O-N 3.34Å
300	E	91.6	Very high	89.9	Confident	86 Å²	86	49.8 Å²	49.8	40%	0.402	25%	0.246	S	C	.	.	H	α-helix	trans	-62.2	-38.9	174.9	-73.1	-174.4	-161.1	0	0	112.5	E296 K298 Q302 M450 V452	E296-E300 PolarHBondContact O-N 2.94Å; E296-E300 VanDerWaalsContact O-N 3.13Å; K298-E300 VanDerWaalsContact C-N 3.32Å; K298-E300 PolarHBondContact O-N 3.4Å; E300-Q302 VanDerWaalsContact C-N 3.34Å; E300-M450 HydrophobicContact CB-CE 3.72Å; E300-M450 WeakPolarHBondContact O-CE 3.46Å; E300-V452 HydrophobicContact CB-CG2 4.44Å; E300-V452 WeakPolarHBondContact OE2-CG2 3.27Å
301	L	92.8	Very high	89.5	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-80.1	-15.5	178.5	-66.2	172.9	0	0	0	113.5	F288 A297 K298 N299 D303 V304 V305 I325 L327 L338 V342 V452	F288-L301 HydrophobicContact CZ-CB 4.07Å; A297-L301 WeakPolarHBondContact O-CB 3.36Å; A297-L301 VanDerWaalsContact O-CG 3.24Å; A297-L301 WeakPolarHBondContact O-CG 3.42Å; A297-L301 PolarHBondContact O-N 3.44Å; A297-L301 VanDerWaalsContact O-N 3.13Å; K298-L301 CarbonylContact O-C 3.58Å; K298-L301 PolarHBondContact O-N 3.48Å; K298-L301 VanDerWaalsContact O-N 3.15Å; N299-L301 VanDerWaalsContact C-N 3.32Å; N299-L301 PolarHBondContact O-N 2.97Å; L301-D303 VanDerWaalsContact C-N 3.29Å; L301-D303 PolarHBondContact O-N 2.76Å; L301-V304 HydrophobicContact CD2-CG2 4.46Å; L301-V304 WeakPolarHBondContact O-CB 3.25Å; L301-V304 PolarHBondContact O-N 3.46Å; L301-V305 PolarHBondContact O-N 3.1Å; L301-I325 HydrophobicContact CD2-CD1 4.05Å; L301-I325 HydrophobicContact CD2-CG2 4.03Å; L301-L327 HydrophobicContact CD1-CD2 4.25Å; L301-L338 HydrophobicContact CD1-CD1 3.86Å; L301-L338 HydrophobicContact CD1-CD2 3.45Å; L301-L338 VanDerWaalsContact CD1-CD2 3.45Å; L301-L338 HydrophobicContact CD1-CG 3.44Å; L301-L338 VanDerWaalsContact CD1-CG 3.44Å; L301-V342 HydrophobicContact CB-CG2 3.89Å; L301-V342 HydrophobicContact CD1-CG2 3.87Å; L301-V342 HydrophobicContact CD2-CG2 4.36Å; L301-V342 HydrophobicContact CG-CG2 4.28Å; L301-V452 HydrophobicContact CD2-CG2 4.19Å
302	Q	92.3	Very high	89.1	Confident	80 Å²	80	56.9 Å²	56.9	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-37.3	176.9	-173.7	61.5	54.7	0	0	111.1	F288 K298 N299 E300 V304 V305 E306	F288-Q302 VanDerWaalsContact CE2-OE1 3.31Å; K298-Q302 WeakPolarHBondContact O-CB 3.24Å; K298-Q302 PolarHBondContact O-N 2.91Å; N299-Q302 WeakPolarHBondContact O-CB 3.3Å; N299-Q302 PolarHBondContact O-N 3.34Å; E300-Q302 VanDerWaalsContact C-N 3.34Å; Q302-V304 PolarHBondContact O-N 3.41Å; Q302-V305 PolarHBondContact O-N 3.39Å; Q302-E306 PolarHBondContact O-N 3.16Å
303	D	86.8	Confident	88.7	Confident	104 Å²	104	59.7 Å²	59.7	56%	0.556	30%	0.296	S	S	*	.	H	α-helix	trans	-60.9	-38.5	174.9	-67.7	-14.3	0	0	0	111.2	L301 E306 F307	L301-D303 VanDerWaalsContact C-N 3.29Å; L301-D303 PolarHBondContact O-N 2.76Å; D303-E306 PolarHBondContact O-N 3.35Å; D303-F307 PolarHBondContact O-N 2.94Å
304	V	88.3	Confident	88.5	Confident	6 Å²	6	61.5 Å²	61.5	4%	0.036	30%	0.299	C	S	.	.	H	α-helix	trans	-67.9	-42.7	177.8	-176.3	0	0	0	0	110.8	L301 Q302 F307 L308 I325 I427 M450	L301-V304 HydrophobicContact CD2-CG2 4.46Å; L301-V304 WeakPolarHBondContact O-CB 3.25Å; L301-V304 PolarHBondContact O-N 3.46Å; Q302-V304 PolarHBondContact O-N 3.41Å; V304-F307 PolarHBondContact O-N 3.11Å; V304-L308 WeakPolarHBondContact O-CG 3.3Å; V304-L308 PolarHBondContact O-N 2.9Å; V304-I325 HydrophobicContact CB-CD1 4.28Å; V304-I325 HydrophobicContact CG1-CD1 3.76Å; V304-I325 HydrophobicContact CG2-CD1 3.67Å; V304-I427 HydrophobicContact CG1-CD1 3.39Å; V304-M450 HydrophobicContact CG2-SD 4.21Å
305	V	90.6	Very high	87.9	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-45	174.7	171	0	0	0	0	111	F288 L301 Q302 F307 L308 K309 V342 E345 A346	F288-V305 HydrophobicContact CE2-CG2 3.75Å; F288-V305 HydrophobicContact CZ-CG2 3.72Å; L301-V305 PolarHBondContact O-N 3.1Å; Q302-V305 PolarHBondContact O-N 3.39Å; V305-F307 VanDerWaalsContact C-N 3.27Å; V305-F307 PolarHBondContact O-N 3.18Å; V305-L308 PolarHBondContact O-N 2.96Å; V305-K309 HydrophobicContact CG1-CD 4.23Å; V305-K309 WeakPolarHBondContact O-CG 3.39Å; V305-K309 PolarHBondContact O-N 3.38Å; V305-V342 HydrophobicContact CG2-CB 4.35Å; V305-V342 HydrophobicContact CG2-CG1 3.9Å; V305-E345 HydrophobicContact CG1-CB 3.78Å; V305-E345 HydrophobicContact CG2-CB 4.04Å; V305-A346 HydrophobicContact CG1-CB 4.3Å
306	E	88.3	Confident	87.6	Confident	63 Å²	63	66.6 Å²	66.6	29%	0.294	34%	0.335	S	S	.	.	H	α-helix	trans	-62.4	-38.1	178.9	-168	179.6	173.4	0	0	111.3	Q302 D303 K309 N310 K313 F314	Q302-E306 PolarHBondContact O-N 3.16Å; D303-E306 PolarHBondContact O-N 3.35Å; E306-K309 PolarHBondContact O-N 2.79Å; E306-N310 PolarHBondContact O-N 3.08Å; E306-K313 IonicContact OE1-NZ 2.69Å; E306-K313 PolarHBondContact OE1-NZ 3.13Å; E306-F314 HydrophobicContact CB-CE2 4.37Å; E306-F314 HydrophobicContact CB-CZ 4.29Å; E306-F314 HydrophobicContact CG-CE2 4.08Å; E306-F314 HydrophobicContact CG-CZ 4.13Å
307	F	84.4	Confident	87.2	Confident	15 Å²	15	67.8 Å²	67.8	7%	0.066	35%	0.345	C	S	.	.	H	α-helix	trans	-63.1	-47	173.8	-171.1	-76.5	0	0	0	112.2	D303 V304 V305 K309 N310 P311 F314 L321	D303-F307 PolarHBondContact O-N 2.94Å; V304-F307 PolarHBondContact O-N 3.11Å; V305-F307 VanDerWaalsContact C-N 3.27Å; V305-F307 PolarHBondContact O-N 3.18Å; F307-K309 VanDerWaalsContact C-N 3.28Å; F307-K309 PolarHBondContact O-N 2.97Å; F307-N310 CarbonylContact O-C 3.55Å; F307-N310 PolarHBondContact O-N 2.89Å; F307-P311 HydrophobicContact CD1-CB 4.47Å; F307-P311 HydrophobicContact CE1-CB 4.02Å; F307-P311 HydrophobicContact CZ-CB 4.35Å; F307-P311 VanDerWaalsContact O-CA 3.31Å; F307-P311 WeakPolarHBondContact O-CA 3.28Å; F307-P311 WeakPolarHBondContact O-CD 3.41Å; F307-F314 HydrophobicContact CB-CD2 4.09Å; F307-F314 HydrophobicContact CB-CE2 4.07Å; F307-F314 HydrophobicContact CD2-CB 3.5Å; F307-F314 HydrophobicContact CD2-CD1 4.21Å; F307-F314 AromaticContact CD2-CD2 3.53Å; F307-F314 HydrophobicContact CD2-CD2 3.53Å; F307-F314 HydrophobicContact CD2-CE2 4.29Å; F307-F314 AromaticContact CD2-CG 3.48Å; F307-F314 HydrophobicContact CD2-CG 3.48Å; F307-F314 VanDerWaalsContact CD2-CG 3.48Å; F307-F314 HydrophobicContact CE2-CB 3.44Å; F307-F314 VanDerWaalsContact CE2-CB 3.44Å; F307-F314 HydrophobicContact CE2-CD2 4.28Å; F307-F314 AromaticContact CE2-CG 3.99Å; F307-F314 HydrophobicContact CE2-CG 3.99Å; F307-F314 HydrophobicContact CG-CD2 4.11Å; F307-F314 HydrophobicContact CG-CG 4.46Å; F307-L321 HydrophobicContact CB-CD1 4.18Å; F307-L321 HydrophobicContact CD1-CB 4.29Å; F307-L321 HydrophobicContact CD1-CD1 3.22Å; F307-L321 HydrophobicContact CD1-CD2 4.08Å; F307-L321 HydrophobicContact CD1-CG 4.03Å; F307-L321 HydrophobicContact CD2-CD1 4.18Å; F307-L321 HydrophobicContact CE1-CB 3.72Å; F307-L321 HydrophobicContact CE1-CD1 3.57Å; F307-L321 HydrophobicContact CE1-CD2 3.71Å; F307-L321 HydrophobicContact CE1-CG 3.84Å; F307-L321 HydrophobicContact CE2-CB 4.2Å; F307-L321 HydrophobicContact CE2-CD1 4.44Å; F307-L321 HydrophobicContact CG-CD1 3.59Å; F307-L321 HydrophobicContact CZ-CB 3.67Å; F307-L321 HydrophobicContact CZ-CD1 4.18Å; F307-L321 HydrophobicContact CZ-CD2 4.48Å; F307-L321 HydrophobicContact CZ-CG 4.31Å
308	L	86.4	Confident	86.7	Confident	13 Å²	13	70.4 Å²	70.4	7%	0.068	37%	0.372	C	S	.	.	H	α-helix	trans	-61.3	-37.3	178.5	-74.7	173.2	0	0	0	112.1	V304 V305 V342 A346 V348 V384 I427	V304-L308 WeakPolarHBondContact O-CG 3.3Å; V304-L308 PolarHBondContact O-N 2.9Å; V305-L308 PolarHBondContact O-N 2.96Å; L308-V342 HydrophobicContact CD1-CG1 4.47Å; L308-A346 HydrophobicContact CB-CB 3.69Å; L308-A346 HydrophobicContact CD1-CB 3.76Å; L308-A346 HydrophobicContact CG-CB 4.4Å; L308-V348 HydrophobicContact CD1-CG2 4.23Å; L308-V384 HydrophobicContact CD1-CG2 3.97Å; L308-I427 HydrophobicContact CD1-CD1 3.92Å; L308-I427 HydrophobicContact CD2-CD1 3.61Å; L308-I427 HydrophobicContact CD2-CG1 4.08Å; L308-I427 HydrophobicContact CG-CD1 3.7Å
309	K	87.6	Confident	86	Confident	99 Å²	99	71.1 Å²	71.1	43%	0.43	38%	0.384	S	S	.	.	H	α-helix	trans	-69.7	-44.3	175.7	-72.4	-178.4	179.3	178.9	0	112.7	V305 E306 F307 E345	V305-K309 HydrophobicContact CG1-CD 4.23Å; V305-K309 WeakPolarHBondContact O-CG 3.39Å; V305-K309 PolarHBondContact O-N 3.38Å; E306-K309 PolarHBondContact O-N 2.79Å; F307-K309 VanDerWaalsContact C-N 3.28Å; F307-K309 PolarHBondContact O-N 2.97Å; K309-E345 WeakPolarHBondContact CE-O 3.25Å; K309-E345 PolarHBondContact NZ-O 3.14Å; K309-E345 IonicContact NZ-OE2 3.74Å
310	N	85.6	Confident	85.2	Confident	92 Å²	92	73.9 Å²	73.9	49%	0.492	39%	0.391	S	S	.	.			trans	-134.1	68.4	-171.6	-68.5	-52.8	0	0	0	112.6	E306 F307 Q312 K313	E306-N310 PolarHBondContact O-N 3.08Å; F307-N310 CarbonylContact O-C 3.55Å; F307-N310 PolarHBondContact O-N 2.89Å; N310-Q312 PolarHBondContact O-N 3.21Å; N310-Q312 VanDerWaalsContact O-N 3.15Å; N310-K313 HydrophobicContact CB-CB 4.43Å; N310-K313 PolarHBondContact O-N 3.03Å
311	P	82.4	Confident	84.5	Confident	59 Å²	59	70.3 Å²	70.3	38%	0.383	38%	0.375	S	S	.	.	H	α-helix	trans	-64.3	-26.3	-174.4	24.1	-34.3	0	0	0	113.4	F307 K313 F314 T315	F307-P311 HydrophobicContact CD1-CB 4.47Å; F307-P311 HydrophobicContact CE1-CB 4.02Å; F307-P311 HydrophobicContact CZ-CB 4.35Å; F307-P311 VanDerWaalsContact O-CA 3.31Å; F307-P311 WeakPolarHBondContact O-CA 3.28Å; F307-P311 WeakPolarHBondContact O-CD 3.41Å; P311-K313 PolarHBondContact O-N 3.46Å; P311-F314 PolarHBondContact O-N 3.43Å; P311-T315 WeakPolarHBondContact O-CB 3.47Å; P311-T315 PolarHBondContact O-N 3.35Å; P311-T315 VanDerWaalsContact O-N 3.08Å; P311-T315 PolarHBondContact O-OG1 3.05Å
312	Q	83.1	Confident	84.1	Confident	161 Å²	161	71.7 Å²	71.7	75%	0.752	38%	0.383	S	S	*	.	H	α-helix	trans	-64.4	-38.4	179.5	-63.7	-176.5	2.3	0	0	112.5	N310 F314 T315 V316	N310-Q312 PolarHBondContact O-N 3.21Å; N310-Q312 VanDerWaalsContact O-N 3.15Å; Q312-F314 VanDerWaalsContact C-N 3.26Å; Q312-F314 PolarHBondContact O-N 2.97Å; Q312-T315 PolarHBondContact O-N 3.39Å; Q312-V316 WeakPolarHBondContact O-CG2 3.22Å; Q312-V316 PolarHBondContact O-N 3.37Å
313	K	84.8	Confident	83.8	Confident	124 Å²	124	69.7 Å²	69.7	54%	0.539	37%	0.373	S	S	.	.	H	α-helix	trans	-57.1	-41.5	-178.5	-176.9	-178.3	174	-174.2	0	111.4	E306 N310 P311	E306-K313 IonicContact OE1-NZ 2.69Å; E306-K313 PolarHBondContact OE1-NZ 3.13Å; N310-K313 HydrophobicContact CB-CB 4.43Å; N310-K313 PolarHBondContact O-N 3.03Å; P311-K313 PolarHBondContact O-N 3.46Å
314	F	81.8	Confident	84	Confident	54 Å²	54	64.7 Å²	64.7	24%	0.237	35%	0.347	C	S	.	.	H	α-helix	trans	-82.3	-35.4	179.7	-63.4	-86.7	0	0	0	112.5	E306 F307 P311 Q312 V316 L317 G318 G319	E306-F314 HydrophobicContact CB-CE2 4.37Å; E306-F314 HydrophobicContact CB-CZ 4.29Å; E306-F314 HydrophobicContact CG-CE2 4.08Å; E306-F314 HydrophobicContact CG-CZ 4.13Å; F307-F314 HydrophobicContact CB-CD2 4.09Å; F307-F314 HydrophobicContact CB-CE2 4.07Å; F307-F314 HydrophobicContact CD2-CB 3.5Å; F307-F314 HydrophobicContact CD2-CD1 4.21Å; F307-F314 AromaticContact CD2-CD2 3.53Å; F307-F314 HydrophobicContact CD2-CD2 3.53Å; F307-F314 HydrophobicContact CD2-CE2 4.29Å; F307-F314 AromaticContact CD2-CG 3.48Å; F307-F314 HydrophobicContact CD2-CG 3.48Å; F307-F314 VanDerWaalsContact CD2-CG 3.48Å; F307-F314 HydrophobicContact CE2-CB 3.44Å; F307-F314 VanDerWaalsContact CE2-CB 3.44Å; F307-F314 HydrophobicContact CE2-CD2 4.28Å; F307-F314 AromaticContact CE2-CG 3.99Å; F307-F314 HydrophobicContact CE2-CG 3.99Å; F307-F314 HydrophobicContact CG-CD2 4.11Å; F307-F314 HydrophobicContact CG-CG 4.46Å; P311-F314 PolarHBondContact O-N 3.43Å; Q312-F314 VanDerWaalsContact C-N 3.26Å; Q312-F314 PolarHBondContact O-N 2.97Å; F314-V316 VanDerWaalsContact C-N 3.34Å; F314-V316 PolarHBondContact O-N 3.17Å; F314-L317 PolarHBondContact O-N 3.35Å; F314-G318 PolarHBondContact O-N 2.68Å; F314-G319 WeakPolarHBondContact O-CA 3.26Å; F314-G319 PolarHBondContact O-N 3.29Å
315	T	80.7	Confident	84.3	Confident	63 Å²	63	64.4 Å²	64.4	39%	0.387	35%	0.345	S	S	.	.	H	α-helix	trans	-63.2	-38	178.9	-56.1	0	0	0	0	112.1	P311 Q312 L317 G318	P311-T315 WeakPolarHBondContact O-CB 3.47Å; P311-T315 PolarHBondContact O-N 3.35Å; P311-T315 VanDerWaalsContact O-N 3.08Å; P311-T315 PolarHBondContact O-OG1 3.05Å; Q312-T315 PolarHBondContact O-N 3.39Å; T315-L317 PolarHBondContact O-N 2.85Å; T315-G318 PolarHBondContact O-N 2.9Å
316	V	84.3	Confident	84.5	Confident	126 Å²	126	64.4 Å²	64.4	76%	0.764	35%	0.345	S	S	*	.	H	α-helix	trans	-61	-34.9	178.1	170.4	0	0	0	0	112.1	Q312 F314 G318	Q312-V316 WeakPolarHBondContact O-CG2 3.22Å; Q312-V316 PolarHBondContact O-N 3.37Å; F314-V316 VanDerWaalsContact C-N 3.34Å; F314-V316 PolarHBondContact O-N 3.17Å; V316-G318 VanDerWaalsContact C-N 3.28Å
317	L	83	Confident	84.9	Confident	151 Å²	151	61.4 Å²	61.4	79%	0.791	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	1.3	178.5	-63	173.6	0	0	0	112.8	F314 T315 G319	F314-L317 PolarHBondContact O-N 3.35Å; T315-L317 PolarHBondContact O-N 2.85Å; L317-G319 VanDerWaalsContact C-N 3.26Å; L317-G319 PolarHBondContact O-N 2.94Å
318	G	80.3	Confident	85.4	Confident	57 Å²	57	61.7 Å²	61.7	59%	0.588	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	12.9	-176	0	0	0	0	0	114.2	F314 T315 V316	F314-G318 PolarHBondContact O-N 2.68Å; T315-G318 PolarHBondContact O-N 2.9Å; V316-G318 VanDerWaalsContact C-N 3.28Å
319	G	78.5	Confident	85.8	Confident	31 Å²	31	61.4 Å²	61.4	32%	0.32	33%	0.334	S	S	.	.			trans	-63.6	135.9	173.9	0	0	0	0	0	110.9	F314 L317	F314-G319 WeakPolarHBondContact O-CA 3.26Å; F314-G319 PolarHBondContact O-N 3.29Å; L317-G319 VanDerWaalsContact C-N 3.26Å; L317-G319 PolarHBondContact O-N 2.94Å
320	K	76.6	Confident	86.1	Confident	167 Å²	167	58.4 Å²	58.4	73%	0.726	33%	0.325	S	S	*	.			trans	-107.9	140	177.5	-65.1	179	-177.3	174.8	0	109.3
321	L	76.6	Confident	86.4	Confident	11 Å²	11	58 Å²	58	6%	0.058	33%	0.327	C	S	.	.			trans	-70.1	134.1	174.7	-173.6	62	0	0	0	110.1	F307 K323 I427	F307-L321 HydrophobicContact CB-CD1 4.18Å; F307-L321 HydrophobicContact CD1-CB 4.29Å; F307-L321 HydrophobicContact CD1-CD1 3.22Å; F307-L321 HydrophobicContact CD1-CD2 4.08Å; F307-L321 HydrophobicContact CD1-CG 4.03Å; F307-L321 HydrophobicContact CD2-CD1 4.18Å; F307-L321 HydrophobicContact CE1-CB 3.72Å; F307-L321 HydrophobicContact CE1-CD1 3.57Å; F307-L321 HydrophobicContact CE1-CD2 3.71Å; F307-L321 HydrophobicContact CE1-CG 3.84Å; F307-L321 HydrophobicContact CE2-CB 4.2Å; F307-L321 HydrophobicContact CE2-CD1 4.44Å; F307-L321 HydrophobicContact CG-CD1 3.59Å; F307-L321 HydrophobicContact CZ-CB 3.67Å; F307-L321 HydrophobicContact CZ-CD1 4.18Å; F307-L321 HydrophobicContact CZ-CD2 4.48Å; F307-L321 HydrophobicContact CZ-CG 4.31Å; L321-K323 PolarHBondContact O-N 2.94Å; L321-I427 HydrophobicContact CD1-CD1 3.61Å; L321-I427 HydrophobicContact CD1-CG1 4.19Å; L321-I427 HydrophobicContact CD2-CD1 3.98Å; L321-I427 HydrophobicContact CD2-CG1 3.67Å; L321-I427 HydrophobicContact CG-CD1 4.16Å; L321-I427 HydrophobicContact CG-CG1 4.18Å
322	P	83.4	Confident	86.8	Confident	29 Å²	29	56.7 Å²	56.7	19%	0.188	32%	0.324	C	S	.	.			trans	-60.3	125.6	165.6	25.6	-33.6	0	0	0	108.8	G324 D449 M450	P322-G324 VanDerWaalsContact C-N 3.25Å; P322-G324 PolarHBondContact O-N 3.35Å; P322-D449 WeakPolarHBondContact CA-OD2 3.46Å; P322-D449 WeakPolarHBondContact CB-OD1 3.47Å; P322-M450 HydrophobicContact CB-CB 4.26Å; P322-M450 HydrophobicContact CG-SD 4.46Å
323	K	86.1	Confident	87.3	Confident	38 Å²	38	49.6 Å²	49.6	17%	0.165	29%	0.292	C	S	.	.	S	Bend	trans	-70.5	-29.4	-177.4	-74.9	178.4	161.9	-158.4	0	111.4	L321 M417 D418 F420 V428 G446 D449	L321-K323 PolarHBondContact O-N 2.94Å; K323-M417 PolarHBondContact NZ-O 2.86Å; K323-D418 PolarHBondContact NZ-O 2.69Å; K323-F420 HydrophobicContact CD-CB 4.47Å; K323-F420 VanDerWaalsContact CE-O 3.23Å; K323-F420 WeakPolarHBondContact CE-O 3.3Å; K323-F420 PolarHBondContact NZ-O 3.39Å; K323-V428 PolarHBondContact O-N 3.07Å; K323-G446 WeakPolarHBondContact CD-O 3.44Å; K323-D449 PolarHBondContact N-OD1 3.46Å
324	G	91.4	Very high	87.6	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	135.8	-175.4	0	0	0	0	0	112.8	P322 V428 R447 F448 D449 M450	P322-G324 VanDerWaalsContact C-N 3.25Å; P322-G324 PolarHBondContact O-N 3.35Å; G324-V428 CarbonylContact C-O 3.53Å; G324-V428 WeakPolarHBondContact CA-O 3.48Å; G324-R447 WeakPolarHBondContact CA-O 3.44Å; G324-R447 PolarHBondContact N-O 2.63Å; G324-F448 CarbonylContact O-C 3.54Å; G324-F448 WeakPolarHBondContact O-CA 3.31Å; G324-D449 PolarHBondContact N-OD1 3.29Å; G324-D449 PolarHBondContact O-N 2.93Å; G324-M450 PolarHBondContact O-N 2.69Å
325	I	94.4	Very high	88.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.3	177.1	-56.5	164.8	0	0	0	108	L301 V304 L327 I427 V428 I429 G430 F448 M450 V452	L301-I325 HydrophobicContact CD2-CD1 4.05Å; L301-I325 HydrophobicContact CD2-CG2 4.03Å; V304-I325 HydrophobicContact CB-CD1 4.28Å; V304-I325 HydrophobicContact CG1-CD1 3.76Å; V304-I325 HydrophobicContact CG2-CD1 3.67Å; I325-L327 HydrophobicContact CG2-CD2 4.17Å; I325-I427 HydrophobicContact CD1-CG2 3.91Å; I325-I427 HydrophobicContact CG1-CG2 4.42Å; I325-V428 PolarHBondContact N-O 2.95Å; I325-I429 HydrophobicContact CB-CG1 4.33Å; I325-I429 HydrophobicContact CD1-CG1 4.36Å; I325-I429 CarbonylContact O-C 3.55Å; I325-I429 VanDerWaalsContact O-CA 3.28Å; I325-I429 WeakPolarHBondContact O-CA 3.41Å; I325-G430 PolarHBondContact O-N 3.36Å; I325-F448 WeakPolarHBondContact O-CD1 3.15Å; I325-M450 CarbonylContact C-O 3.52Å; I325-M450 WeakPolarHBondContact CA-O 3.46Å; I325-M450 HydrophobicContact CD1-SD 4.5Å; I325-M450 HydrophobicContact CG1-CB 4.17Å; I325-M450 HydrophobicContact CG1-CG 4.5Å; I325-M450 HydrophobicContact CG1-SD 4.18Å; I325-M450 HydrophobicContact CG2-CG 4.38Å; I325-V452 HydrophobicContact CG2-CG2 3.79Å
326	L	95.3	Very high	88.8	Confident	0 Å²	0	42 Å²	42	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113.6	174.7	-174.9	69.8	0	0	0	109.6	V328 L390 G430 T432 L438 V443 F448 M450 Q451 V452	L326-V328 HydrophobicContact CD2-CG2 3.78Å; L326-V328 HydrophobicContact CG-CG2 3.76Å; L326-L390 HydrophobicContact CD1-CD2 3.74Å; L326-G430 CarbonylContact C-O 3.5Å; L326-G430 WeakPolarHBondContact CA-O 3.43Å; L326-T432 HydrophobicContact CD1-CG2 3.95Å; L326-T432 HydrophobicContact CD2-CG2 4.34Å; L326-T432 HydrophobicContact CG-CG2 4.25Å; L326-L438 HydrophobicContact CD1-CD1 3.98Å; L326-L438 HydrophobicContact CD2-CD1 3.83Å; L326-V443 HydrophobicContact CD2-CG2 4.46Å; L326-F448 HydrophobicContact CB-CB 4.12Å; L326-F448 HydrophobicContact CB-CD1 4.21Å; L326-F448 HydrophobicContact CB-CG 4.33Å; L326-M450 PolarHBondContact N-O 2.98Å; L326-Q451 HydrophobicContact CB-CG 4.21Å; L326-Q451 HydrophobicContact CD2-CG 4.31Å; L326-Q451 WeakPolarHBondContact O-CA 3.4Å; L326-V452 PolarHBondContact O-N 3.23Å
327	L	96.5	Very high	89.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	113.8	170.5	-56.8	-175.2	0	0	0	109.3	L301 I325 K335 L338 A339 F386 I429 G430 A431 T432 V452	L301-L327 HydrophobicContact CD1-CD2 4.25Å; I325-L327 HydrophobicContact CG2-CD2 4.17Å; L327-K335 HydrophobicContact CB-CB 4.36Å; L327-K335 HydrophobicContact CB-CD 4.29Å; L327-K335 HydrophobicContact CB-CG 4.35Å; L327-K335 HydrophobicContact CD1-CB 4.28Å; L327-K335 WeakPolarHBondContact CD1-O 3.41Å; L327-L338 HydrophobicContact CD1-CD2 4.49Å; L327-L338 HydrophobicContact CD2-CD2 4.45Å; L327-A339 HydrophobicContact CD1-CB 4.28Å; L327-F386 HydrophobicContact CD1-CE2 4.42Å; L327-I429 HydrophobicContact CD1-CG2 3.79Å; L327-I429 HydrophobicContact CG-CG2 3.77Å; L327-G430 PolarHBondContact N-O 3.18Å; L327-A431 HydrophobicContact CB-CB 4.44Å; L327-A431 WeakPolarHBondContact O-CA 3.38Å; L327-T432 PolarHBondContact O-N 3.45Å; L327-V452 WeakPolarHBondContact CA-O 3.39Å; L327-V452 HydrophobicContact CD2-CB 3.84Å; L327-V452 HydrophobicContact CD2-CG1 4.34Å; L327-V452 HydrophobicContact CD2-CG2 4.38Å
328	V	95.1	Very high	89.8	Confident	21 Å²	21	31.7 Å²	31.7	13%	0.127	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.6	-177.6	-177	0	0	0	0	109.5	L326 T432 A435 V452 T453 V454	L326-V328 HydrophobicContact CD2-CG2 3.78Å; L326-V328 HydrophobicContact CG-CG2 3.76Å; V328-T432 HydrophobicContact CG2-CG2 4.09Å; V328-A435 HydrophobicContact CB-CB 4.37Å; V328-A435 HydrophobicContact CG1-CB 3.61Å; V328-A435 HydrophobicContact CG2-CB 3.79Å; V328-V452 PolarHBondContact N-O 3.28Å; V328-T453 CarbonylContact O-C 3.48Å; V328-T453 WeakPolarHBondContact O-CA 3.29Å; V328-V454 PolarHBondContact O-N 3.03Å
329	G	94.3	Very high	90.4	Very high	6 Å²	6	29 Å²	29	6%	0.062	18%	0.177	C	C	.	.			trans	172	169.5	173.4	0	0	0	0	0	113.2	K335 T432 N433 V454	G329-K335 PolarHBondContact O-NZ 3Å; G329-T432 PolarHBondContact N-O 2.79Å; G329-N433 WeakPolarHBondContact O-CA 3.36Å; G329-N433 PolarHBondContact O-OD1 2.97Å; G329-V454 WeakPolarHBondContact CA-O 3.4Å
330	P	92.9	Very high	91.1	Very high	37 Å²	37	30.4 Å²	30.4	24%	0.24	17%	0.173	C	C	.	.			trans	-60.3	161	179.2	17.9	-22.6	0	0	0	112.5	T333 K335 R456	P330-T333 HydrophobicContact CB-CG2 4.4Å; P330-T333 HydrophobicContact CG-CG2 3.7Å; P330-T333 PolarHBondContact O-OG1 3.42Å; P330-T333 VanDerWaalsContact O-OG1 3.09Å; P330-K335 PolarHBondContact O-NZ 3.2Å; P330-R456 HydrophobicContact CG-CG 3.6Å
331	P	92.1	Very high	91.8	Very high	84 Å²	84	22.5 Å²	22.5	55%	0.545	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	150.8	177.1	27.3	-35.1	0	0	0	110.9	T333	P331-T333 VanDerWaalsContact C-N 3.31Å; P331-T333 PolarHBondContact O-N 2.92Å
332	G	91.1	Very high	92.6	Very high	31 Å²	31	22 Å²	22	32%	0.32	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	7.7	175.2	0	0	0	0	0	116.2	G334 G493 A494	G332-G334 VanDerWaalsContact C-N 3.31Å; G332-G493 PolarHBondContact O-N 3.44Å; G332-G493 VanDerWaalsContact O-N 3.12Å; G332-A494 PolarHBondContact O-N 3.02Å
333	T	93.3	Very high	93.1	Very high	12 Å²	12	20.7 Å²	20.7	7%	0.074	13%	0.128	C	C	.	.	S	Bend	trans	-84	-0.1	176.4	58	0	0	0	0	114.6	P330 P331 V454 P455 R456	P330-T333 HydrophobicContact CB-CG2 4.4Å; P330-T333 HydrophobicContact CG-CG2 3.7Å; P330-T333 PolarHBondContact O-OG1 3.42Å; P330-T333 VanDerWaalsContact O-OG1 3.09Å; P331-T333 VanDerWaalsContact C-N 3.31Å; P331-T333 PolarHBondContact O-N 2.92Å; T333-V454 WeakPolarHBondContact OG1-CG1 3.01Å; T333-P455 WeakPolarHBondContact CG2-O 3.19Å; T333-R456 HydrophobicContact CG2-CG 4.43Å
334	G	91.9	Very high	93.3	Very high	25 Å²	25	19.8 Å²	19.8	26%	0.258	13%	0.13	S	C	.	.	S	Bend	trans	89.1	23.6	176.6	0	0	0	0	0	115.2	G332 T336 L337 L338	G332-G334 VanDerWaalsContact C-N 3.31Å; G334-T336 PolarHBondContact O-N 3.38Å; G334-L337 CarbonylContact O-C 3.5Å; G334-L337 WeakPolarHBondContact O-CB 3.44Å; G334-L337 PolarHBondContact O-N 3.23Å; G334-L337 VanDerWaalsContact O-N 3.09Å; G334-L338 WeakPolarHBondContact O-CB 3.33Å; G334-L338 PolarHBondContact O-N 3.3Å
335	K	94.8	Very high	93.3	Very high	11 Å²	11	21.9 Å²	21.9	5%	0.048	14%	0.139	C	C	.	.	H	α-helix	trans	-51.8	-49.2	175.3	-62	-174.6	-69.5	-85.1	0	112.9	L327 G329 P330 L337 L338 A339 A431 N433 V454	L327-K335 HydrophobicContact CB-CB 4.36Å; L327-K335 HydrophobicContact CB-CD 4.29Å; L327-K335 HydrophobicContact CB-CG 4.35Å; L327-K335 HydrophobicContact CD1-CB 4.28Å; L327-K335 WeakPolarHBondContact CD1-O 3.41Å; G329-K335 PolarHBondContact O-NZ 3Å; P330-K335 PolarHBondContact O-NZ 3.2Å; K335-L337 VanDerWaalsContact C-N 3.34Å; K335-L337 PolarHBondContact O-N 2.65Å; K335-L338 PolarHBondContact O-N 2.98Å; K335-A339 PolarHBondContact O-N 3.33Å; K335-A431 HydrophobicContact CB-CB 4.1Å; K335-A431 HydrophobicContact CD-CB 4.18Å; K335-N433 PolarHBondContact NZ-OD1 3.07Å; K335-V454 HydrophobicContact CG-CB 4.25Å; K335-V454 HydrophobicContact CG-CG1 4.46Å; K335-V454 HydrophobicContact CG-CG2 4.3Å
336	T	93.1	Very high	93.1	Very high	45 Å²	45	22.4 Å²	22.4	28%	0.276	14%	0.143	S	C	.	.	H	α-helix	trans	-64.3	-38.1	176.9	-38.9	0	0	0	0	112	G334 R340 Y352 F386 D388	G334-T336 PolarHBondContact O-N 3.38Å; T336-R340 WeakPolarHBondContact O-CD 3.31Å; T336-R340 WeakPolarHBondContact O-CG 3.47Å; T336-R340 PolarHBondContact O-N 3.47Å; T336-R340 VanDerWaalsContact O-N 3.16Å; T336-Y352 HydrophobicContact CG2-CE2 4.06Å; T336-F386 HydrophobicContact CG2-CD1 4.39Å; T336-F386 HydrophobicContact CG2-CE1 3.67Å; T336-F386 HydrophobicContact CG2-CZ 4.2Å; T336-D388 PolarHBondContact OG1-OD2 2.93Å
337	L	93	Very high	92.8	Very high	59 Å²	59	28.7 Å²	28.7	31%	0.309	18%	0.177	S	C	.	.	H	α-helix	trans	-66.8	-40.6	176.7	-173.2	71.4	0	0	0	111.2	V286 V291 G334 K335 R340 A341	V286-L337 HydrophobicContact CG1-CD1 3.84Å; V286-L337 HydrophobicContact CG1-CG 4.45Å; V291-L337 HydrophobicContact CG2-CD2 4.12Å; V291-L337 HydrophobicContact CG2-CG 4.02Å; G334-L337 CarbonylContact O-C 3.5Å; G334-L337 WeakPolarHBondContact O-CB 3.44Å; G334-L337 PolarHBondContact O-N 3.23Å; G334-L337 VanDerWaalsContact O-N 3.09Å; K335-L337 VanDerWaalsContact C-N 3.34Å; K335-L337 PolarHBondContact O-N 2.65Å; L337-R340 PolarHBondContact O-N 2.91Å; L337-A341 WeakPolarHBondContact O-CB 3.31Å; L337-A341 PolarHBondContact O-N 3.28Å
338	L	94.5	Very high	92.5	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-65.8	-44.8	178.5	-175.9	64.1	0	0	0	111.6	F288 V291 A297 K298 L301 L327 G334 K335 R340 A341 V342 V454	F288-L338 HydrophobicContact CD1-CD1 4.38Å; F288-L338 HydrophobicContact CE1-CD1 4.08Å; V291-L338 HydrophobicContact CG1-CD1 4.15Å; V291-L338 HydrophobicContact CG2-CD1 4.43Å; A297-L338 HydrophobicContact CB-CD2 4.02Å; K298-L338 HydrophobicContact CG-CD1 4.11Å; L301-L338 HydrophobicContact CD1-CD1 3.86Å; L301-L338 HydrophobicContact CD1-CD2 3.45Å; L301-L338 VanDerWaalsContact CD1-CD2 3.45Å; L301-L338 HydrophobicContact CD1-CG 3.44Å; L301-L338 VanDerWaalsContact CD1-CG 3.44Å; L327-L338 HydrophobicContact CD1-CD2 4.49Å; L327-L338 HydrophobicContact CD2-CD2 4.45Å; G334-L338 WeakPolarHBondContact O-CB 3.33Å; G334-L338 PolarHBondContact O-N 3.3Å; K335-L338 PolarHBondContact O-N 2.98Å; L338-R340 VanDerWaalsContact C-N 3.3Å; L338-R340 PolarHBondContact O-N 2.96Å; L338-A341 WeakPolarHBondContact O-CB 3.27Å; L338-A341 PolarHBondContact O-N 3.17Å; L338-A341 VanDerWaalsContact O-N 3.13Å; L338-V342 WeakPolarHBondContact O-CG2 3.41Å; L338-V342 PolarHBondContact O-N 2.65Å; L338-V454 HydrophobicContact CD2-CG2 3.97Å
339	A	93.8	Very high	92.3	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-38.3	175.4	0	0	0	0	0	112.6	L327 K335 A341 V342 A343 F350 F386 I429	L327-A339 HydrophobicContact CD1-CB 4.28Å; K335-A339 PolarHBondContact O-N 3.33Å; A339-A341 VanDerWaalsContact C-N 3.35Å; A339-V342 PolarHBondContact O-N 3.47Å; A339-A343 PolarHBondContact O-N 3.38Å; A339-F350 HydrophobicContact CB-CE2 4.21Å; A339-F386 HydrophobicContact CB-CD2 3.19Å; A339-F386 HydrophobicContact CB-CE2 3.42Å; A339-F386 VanDerWaalsContact CB-CE2 3.42Å; A339-F386 HydrophobicContact CB-CG 3.93Å; A339-F386 HydrophobicContact CB-CZ 4.3Å; A339-I429 HydrophobicContact CB-CD1 4.31Å; A339-I429 HydrophobicContact CB-CG2 4.1Å
340	R	92.2	Very high	92.2	Very high	61 Å²	61	31.7 Å²	31.7	23%	0.23	19%	0.193	C	C	.	.	H	α-helix	trans	-66.5	-37.6	174	-74.8	161.7	59	119	143.4	111.9	M283 T336 L337 L338 A343 G344 F350	M283-R340 VanDerWaalsContact CE-NH2 3.31Å; M283-R340 PolarHBondContact SD-NH1 2.95Å; M283-R340 PolarHBondContact SD-NH2 2.85Å; T336-R340 WeakPolarHBondContact O-CD 3.31Å; T336-R340 WeakPolarHBondContact O-CG 3.47Å; T336-R340 PolarHBondContact O-N 3.47Å; T336-R340 VanDerWaalsContact O-N 3.16Å; L337-R340 PolarHBondContact O-N 2.91Å; L338-R340 VanDerWaalsContact C-N 3.3Å; L338-R340 PolarHBondContact O-N 2.96Å; R340-A343 PolarHBondContact O-N 2.92Å; R340-G344 PolarHBondContact O-N 3.29Å; R340-F350 HydrophobicContact CG-CD1 4.09Å; R340-F350 HydrophobicContact CG-CD2 4.49Å; R340-F350 HydrophobicContact CG-CE1 3.5Å; R340-F350 VanDerWaalsContact CG-CE1 3.5Å; R340-F350 HydrophobicContact CG-CE2 3.95Å; R340-F350 HydrophobicContact CG-CZ 3.42Å; R340-F350 VanDerWaalsContact CG-CZ 3.42Å
341	A	93.1	Very high	92.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.9	-39.4	175.2	0	0	0	0	0	112.4	V286 F288 V291 L337 L338 A339 A343 G344 E345	V286-A341 HydrophobicContact CG1-CB 4.22Å; V286-A341 WeakPolarHBondContact O-CA 3.44Å; F288-A341 HydrophobicContact CD1-CB 3.6Å; F288-A341 HydrophobicContact CE1-CB 3.99Å; V291-A341 HydrophobicContact CG2-CB 3.74Å; L337-A341 WeakPolarHBondContact O-CB 3.31Å; L337-A341 PolarHBondContact O-N 3.28Å; L338-A341 WeakPolarHBondContact O-CB 3.27Å; L338-A341 PolarHBondContact O-N 3.17Å; L338-A341 VanDerWaalsContact O-N 3.13Å; A339-A341 VanDerWaalsContact C-N 3.35Å; A341-A343 PolarHBondContact O-N 2.99Å; A341-G344 PolarHBondContact O-N 3.46Å; A341-E345 VanDerWaalsContact O-CB 3.28Å; A341-E345 WeakPolarHBondContact O-CB 3.28Å; A341-E345 VanDerWaalsContact O-CG 3.28Å; A341-E345 WeakPolarHBondContact O-CG 3.42Å; A341-E345 PolarHBondContact O-N 3.26Å
342	V	93	Very high	92.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.2	-48.2	174.6	172.9	0	0	0	0	111.3	F288 L301 V305 L308 L338 A339 A346 I429	F288-V342 HydrophobicContact CE1-CG2 3.81Å; F288-V342 HydrophobicContact CZ-CG2 3.84Å; L301-V342 HydrophobicContact CB-CG2 3.89Å; L301-V342 HydrophobicContact CD1-CG2 3.87Å; L301-V342 HydrophobicContact CD2-CG2 4.36Å; L301-V342 HydrophobicContact CG-CG2 4.28Å; V305-V342 HydrophobicContact CG2-CB 4.35Å; V305-V342 HydrophobicContact CG2-CG1 3.9Å; L308-V342 HydrophobicContact CD1-CG1 4.47Å; L338-V342 WeakPolarHBondContact O-CG2 3.41Å; L338-V342 PolarHBondContact O-N 2.65Å; A339-V342 PolarHBondContact O-N 3.47Å; V342-A346 WeakPolarHBondContact O-CB 3.49Å; V342-A346 PolarHBondContact O-N 2.92Å; V342-A346 VanDerWaalsContact O-N 3.08Å; V342-I429 HydrophobicContact CB-CD1 4.5Å; V342-I429 HydrophobicContact CG1-CD1 4.35Å
343	A	92.3	Very high	92.3	Very high	3 Å²	3	28.1 Å²	28.1	3%	0.025	16%	0.156	C	C	.	.	H	α-helix	trans	-68.3	-40.7	-179.9	0	0	0	0	0	112.5	A339 R340 A341 A346 D347 V348 F350 V384	A339-A343 PolarHBondContact O-N 3.38Å; R340-A343 PolarHBondContact O-N 2.92Å; A341-A343 PolarHBondContact O-N 2.99Å; A343-A346 PolarHBondContact O-N 2.83Å; A343-D347 PolarHBondContact O-N 3.14Å; A343-V348 HydrophobicContact CB-CG2 4.23Å; A343-V348 PolarHBondContact O-N 3.34Å; A343-V348 VanDerWaalsContact O-N 3.12Å; A343-F350 HydrophobicContact CB-CB 3.9Å; A343-F350 HydrophobicContact CB-CD2 3.68Å; A343-F350 HydrophobicContact CB-CG 4.21Å; A343-V384 HydrophobicContact CB-CB 4.17Å; A343-V384 HydrophobicContact CB-CG2 4.14Å
344	G	91.4	Very high	92.2	Very high	19 Å²	19	28.1 Å²	28.1	20%	0.196	16%	0.156	C	C	.	.	H	α-helix	trans	-69.6	-33	177.9	0	0	0	0	0	113.5	V286 R340 A341 D347	V286-G344 WeakPolarHBondContact O-CA 3.32Å; R340-G344 PolarHBondContact O-N 3.29Å; A341-G344 PolarHBondContact O-N 3.46Å; G344-D347 PolarHBondContact O-N 3.06Å
345	E	91.4	Very high	92	Very high	44 Å²	44	27 Å²	27	21%	0.206	14%	0.144	C	C	.	.	H	α-helix	trans	-67.8	-42.1	171.8	-80.6	-67.9	170.2	0	0	112	T287 F288 V305 K309 A341 D347	T287-E345 VanDerWaalsContact CB-OE1 3.26Å; T287-E345 WeakPolarHBondContact CB-OE1 3.35Å; F288-E345 HydrophobicContact CB-CG 4.17Å; F288-E345 HydrophobicContact CD1-CG 4.34Å; F288-E345 HydrophobicContact CD2-CG 3.66Å; F288-E345 HydrophobicContact CE2-CG 4.1Å; F288-E345 HydrophobicContact CG-CG 3.77Å; F288-E345 PolarHBondContact N-OE1 3.49Å; V305-E345 HydrophobicContact CG1-CB 3.78Å; V305-E345 HydrophobicContact CG2-CB 4.04Å; K309-E345 WeakPolarHBondContact CE-O 3.25Å; K309-E345 PolarHBondContact NZ-O 3.14Å; K309-E345 IonicContact NZ-OE2 3.74Å; A341-E345 VanDerWaalsContact O-CB 3.28Å; A341-E345 WeakPolarHBondContact O-CB 3.28Å; A341-E345 VanDerWaalsContact O-CG 3.28Å; A341-E345 WeakPolarHBondContact O-CG 3.42Å; A341-E345 PolarHBondContact O-N 3.26Å; E345-D347 VanDerWaalsContact C-N 3.27Å; E345-D347 PolarHBondContact O-N 2.95Å
346	A	90.2	Very high	91.6	Very high	10 Å²	10	29.1 Å²	29.1	8%	0.083	16%	0.16	C	C	.	.	H	α-helix	trans	-77.5	-9.4	178.4	0	0	0	0	0	114	V305 L308 V342 A343 V348	V305-A346 HydrophobicContact CG1-CB 4.3Å; L308-A346 HydrophobicContact CB-CB 3.69Å; L308-A346 HydrophobicContact CD1-CB 3.76Å; L308-A346 HydrophobicContact CG-CB 4.4Å; V342-A346 WeakPolarHBondContact O-CB 3.49Å; V342-A346 PolarHBondContact O-N 2.92Å; V342-A346 VanDerWaalsContact O-N 3.08Å; A343-A346 PolarHBondContact O-N 2.83Å; A346-V348 VanDerWaalsContact C-N 3.33Å; A346-V348 HydrophobicContact CB-CG1 4.21Å; A346-V348 HydrophobicContact CB-CG2 4.01Å; A346-V348 PolarHBondContact O-N 3.48Å
347	D	90	Very high	91.3	Very high	132 Å²	132	31.1 Å²	31.1	71%	0.706	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	44.9	-174.8	-161.7	37.1	0	0	0	113	A343 G344 E345	A343-D347 PolarHBondContact O-N 3.14Å; G344-D347 PolarHBondContact O-N 3.06Å; E345-D347 VanDerWaalsContact C-N 3.27Å; E345-D347 PolarHBondContact O-N 2.95Å
348	V	90	Very high	90.9	Very high	20 Å²	20	28.8 Å²	28.8	12%	0.121	15%	0.154	C	C	.	.			trans	-117.9	153	-179.7	-62.4	0	0	0	0	112	L308 A343 A346 P382 V384	L308-V348 HydrophobicContact CD1-CG2 4.23Å; A343-V348 HydrophobicContact CB-CG2 4.23Å; A343-V348 PolarHBondContact O-N 3.34Å; A343-V348 VanDerWaalsContact O-N 3.12Å; A346-V348 VanDerWaalsContact C-N 3.33Å; A346-V348 HydrophobicContact CB-CG1 4.21Å; A346-V348 HydrophobicContact CB-CG2 4.01Å; A346-V348 PolarHBondContact O-N 3.48Å; V348-P382 HydrophobicContact CG1-CB 4.29Å; V348-P382 HydrophobicContact CG1-CG 4.11Å; V348-V384 HydrophobicContact CG2-CG2 3.85Å
349	P	90.8	Very high	90.1	Very high	51 Å²	51	32.7 Å²	32.7	33%	0.331	18%	0.175	S	C	.	.			trans	-56.1	139.5	175.1	-25.2	34.9	0	0	0	113.1	P280 Y351 P382 C383 V384	P280-P349 HydrophobicContact CB-CB 4.49Å; P349-Y351 HydrophobicContact CB-CE2 4.32Å; P349-P382 WeakPolarHBondContact CD-O 3.49Å; P349-C383 HydrophobicContact CB-CB 4.12Å; P349-C383 WeakPolarHBondContact O-CB 3.48Å; P349-V384 PolarHBondContact O-N 2.9Å
350	F	92	Very high	89.2	Confident	19 Å²	19	35.4 Å²	35.4	8%	0.083	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	114.6	179.3	-177.5	-99	0	0	0	110.7	A339 R340 A343 Y352 V384 F386	A339-F350 HydrophobicContact CB-CE2 4.21Å; R340-F350 HydrophobicContact CG-CD1 4.09Å; R340-F350 HydrophobicContact CG-CD2 4.49Å; R340-F350 HydrophobicContact CG-CE1 3.5Å; R340-F350 VanDerWaalsContact CG-CE1 3.5Å; R340-F350 HydrophobicContact CG-CE2 3.95Å; R340-F350 HydrophobicContact CG-CZ 3.42Å; R340-F350 VanDerWaalsContact CG-CZ 3.42Å; A343-F350 HydrophobicContact CB-CB 3.9Å; A343-F350 HydrophobicContact CB-CD2 3.68Å; A343-F350 HydrophobicContact CB-CG 4.21Å; F350-Y352 HydrophobicContact CE1-CD2 4.3Å; F350-V384 HydrophobicContact CD2-CB 4.31Å; F350-V384 HydrophobicContact CD2-CG1 4.1Å; F350-V384 HydrophobicContact CE2-CG1 4.28Å; F350-F386 HydrophobicContact CE1-CB 4.31Å; F350-F386 HydrophobicContact CE2-CB 3.49Å; F350-F386 VanDerWaalsContact CE2-CB 3.49Å; F350-F386 HydrophobicContact CE2-CG 4.19Å; F350-F386 HydrophobicContact CZ-CB 3.33Å; F350-F386 HydrophobicContact CZ-CD1 4.06Å; F350-F386 AromaticContact CZ-CG 3.79Å; F350-F386 HydrophobicContact CZ-CG 3.79Å
351	Y	93.1	Very high	88.4	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.1	172.3	-67.3	-84.8	0	0	0	109.5	V278 P280 P349 L373 E376 A377 N380 C383 V384 F386	V278-Y351 HydrophobicContact CB-CD1 4.36Å; V278-Y351 HydrophobicContact CG1-CD1 4.06Å; V278-Y351 WeakPolarHBondContact O-CD1 3.33Å; V278-Y351 VanDerWaalsContact O-CE1 3.29Å; V278-Y351 WeakPolarHBondContact O-CE1 3.33Å; P280-Y351 HydrophobicContact CB-CE1 4.28Å; P349-Y351 HydrophobicContact CB-CE2 4.32Å; Y351-L373 HydrophobicContact CD1-CD1 4.36Å; Y351-L373 HydrophobicContact CG-CD1 4.42Å; Y351-E376 HydrophobicContact CE1-CB 4.49Å; Y351-A377 HydrophobicContact CD2-CB 4.19Å; Y351-A377 HydrophobicContact CE2-CB 4.2Å; Y351-N380 WeakPolarHBondContact OH-CB 3.18Å; Y351-N380 PolarHBondContact OH-ND2 2.79Å; Y351-C383 HydrophobicContact CD2-CB 4.26Å; Y351-C383 HydrophobicContact CE2-CB 4.02Å; Y351-V384 PolarHBondContact N-O 3.35Å; Y351-F386 PolarHBondContact O-N 2.65Å
352	Y	92.6	Very high	87.6	Confident	73 Å²	73	48.4 Å²	48.4	29%	0.286	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.4	177.1	175.2	-89.5	0	0	0	109.5	I281 T336 F350 F386 D388	I281-Y352 HydrophobicContact CD1-CG 4.43Å; T336-Y352 HydrophobicContact CG2-CE2 4.06Å; F350-Y352 HydrophobicContact CE1-CD2 4.3Å; Y352-F386 AromaticContact CD2-CD1 3.66Å; Y352-F386 HydrophobicContact CD2-CD1 3.66Å; Y352-F386 HydrophobicContact CD2-CE1 4.2Å; Y352-F386 AromaticContact CE2-CD1 3.89Å; Y352-F386 HydrophobicContact CE2-CD1 3.89Å; Y352-F386 AromaticContact CE2-CE1 3.97Å; Y352-F386 HydrophobicContact CE2-CE1 3.97Å; Y352-D388 HydrophobicContact CE2-CB 4.29Å
353	A	91.8	Very high	87	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	142.7	167.5	0	0	0	0	0	109.8	F358 L373 F386 I387 D388	A353-F358 HydrophobicContact CB-CE2 3.97Å; A353-F358 HydrophobicContact CB-CZ 3.53Å; A353-L373 HydrophobicContact CB-CD2 4.03Å; A353-F386 PolarHBondContact N-O 3.33Å; A353-I387 VanDerWaalsContact O-CA 3.3Å; A353-I387 WeakPolarHBondContact O-CA 3.32Å; A353-D388 PolarHBondContact O-N 3.28Å
354	S	91.4	Very high	86.4	Confident	12 Å²	12	53.1 Å²	53.1	8%	0.084	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	136.5	169.7	-170.1	0	0	0	0	109.7	S356 E357	S354-S356 PolarHBondContact O-N 3.31Å; S354-S356 PolarHBondContact OG-OG 2.69Å; S354-E357 VanDerWaalsContact O-CB 3.3Å; S354-E357 WeakPolarHBondContact O-CB 3.44Å; S354-E357 PolarHBondContact O-N 3.44Å
355	G	87.1	Confident	86.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-54.8	-38.4	175.8	0	0	0	0	0	111.7	E357 F358 D388 S392 V393	G355-E357 PolarHBondContact O-N 3.24Å; G355-E357 VanDerWaalsContact O-N 3.17Å; G355-F358 PolarHBondContact O-N 2.87Å; G355-D388 WeakPolarHBondContact CA-O 3.41Å; G355-D388 PolarHBondContact N-O 3.26Å; G355-S392 VanDerWaalsContact CA-OG 3.27Å; G355-S392 WeakPolarHBondContact CA-OG 3.33Å; G355-S392 PolarHBondContact O-OG 3.27Å; G355-V393 WeakPolarHBondContact O-CG1 3.29Å
356	S	86.6	Confident	85.9	Confident	57 Å²	57	51.2 Å²	51.2	40%	0.399	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-62.1	-21.6	177.4	41.2	0	0	0	0	113.8	S354 F358 D359 E389 S392	S354-S356 PolarHBondContact O-N 3.31Å; S354-S356 PolarHBondContact OG-OG 2.69Å; S356-F358 PolarHBondContact O-N 2.94Å; S356-D359 PolarHBondContact O-N 3.09Å; S356-E389 PolarHBondContact OG-OE2 3.48Å; S356-S392 PolarHBondContact N-OG 2.85Å
357	E	87.1	Confident	85.8	Confident	87 Å²	87	50.8 Å²	50.8	41%	0.407	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-72.7	-15.8	175	-69.5	167.7	-167.8	0	0	113.4	S354 G355 R369	S354-E357 VanDerWaalsContact O-CB 3.3Å; S354-E357 WeakPolarHBondContact O-CB 3.44Å; S354-E357 PolarHBondContact O-N 3.44Å; G355-E357 PolarHBondContact O-N 3.24Å; G355-E357 VanDerWaalsContact O-N 3.17Å; E357-R369 PolarHBondContact O-NH1 2.78Å
358	F	84.2	Confident	85.7	Confident	9 Å²	9	47 Å²	47	4%	0.039	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-98.8	-11	177	-44.7	-68.5	0	0	0	113.3	A353 G355 S356 E360 G366 R369 I370 L373 I387 V393 T409	A353-F358 HydrophobicContact CB-CE2 3.97Å; A353-F358 HydrophobicContact CB-CZ 3.53Å; G355-F358 PolarHBondContact O-N 2.87Å; S356-F358 PolarHBondContact O-N 2.94Å; F358-E360 PolarHBondContact O-N 3.23Å; F358-G366 WeakPolarHBondContact O-CA 3.41Å; F358-R369 HydrophobicContact CD1-CB 3.96Å; F358-R369 HydrophobicContact CE1-CB 4.06Å; F358-I370 HydrophobicContact CB-CD1 4.45Å; F358-I370 HydrophobicContact CD1-CD1 4.37Å; F358-I370 HydrophobicContact CD1-CG1 3.69Å; F358-I370 HydrophobicContact CE1-CG1 3.81Å; F358-I370 HydrophobicContact CG-CD1 4.29Å; F358-I370 HydrophobicContact CG-CG1 4.07Å; F358-I370 HydrophobicContact CZ-CG1 4.28Å; F358-L373 HydrophobicContact CZ-CD2 3.98Å; F358-I387 HydrophobicContact CE2-CG2 4.22Å; F358-V393 HydrophobicContact CB-CG1 3.86Å; F358-V393 HydrophobicContact CD2-CG1 4.37Å; F358-T409 HydrophobicContact CB-CG2 3.56Å
359	D	78.1	Confident	85.7	Confident	84 Å²	84	48.6 Å²	48.6	45%	0.449	26%	0.256	S	S	.	.			trans	-89.9	78.5	174.6	-168.7	32.5	0	0	0	110.6	S356 V393	S356-D359 PolarHBondContact O-N 3.09Å; D359-V393 HydrophobicContact CB-CG1 4.44Å
360	E	75.6	Confident	85.7	Confident	58 Å²	58	46.4 Å²	46.4	27%	0.271	24%	0.241	S	C	.	.			trans	-109.2	153.2	-178.4	-64.7	-161	157.8	0	0	113.5	F358 F362 V365 R369	F358-E360 PolarHBondContact O-N 3.23Å; E360-F362 PolarHBondContact O-N 3.31Å; E360-V365 WeakPolarHBondContact OE2-CG1 3.37Å; E360-R369 IonicContact OE1-CZ 3.91Å; E360-R369 IonicContact OE1-NE 3.69Å; E360-R369 IonicContact OE1-NH1 2.74Å; E360-R369 PolarHBondContact OE1-NH1 3.14Å; E360-R369 IonicContact OE1-NH2 3.69Å; E360-R369 PolarHBondContact OE1-NH2 3.43Å; E360-R369 IonicContact OE2-CZ 3.36Å; E360-R369 IonicContact OE2-NH2 2.74Å; E360-R369 PolarHBondContact OE2-NH2 3.23Å
361	M	73.8	Confident	85.7	Confident	181 Å²	181	51.5 Å²	51.5	89%	0.892	26%	0.26	S	S	*	.	S	Bend	trans	-65.6	-21.6	176.9	-66.4	-177.6	-109.3	0	0	113.2
362	F	78.1	Confident	85.6	Confident	152 Å²	152	53.9 Å²	53.9	67%	0.667	27%	0.273	S	S	*	.	S	Bend	trans	-90.3	125.7	-178	-63	-72.1	0	0	0	111.4	E360 G364 V365	E360-F362 PolarHBondContact O-N 3.31Å; F362-G364 PolarHBondContact O-N 3.35Å; F362-V365 HydrophobicContact CB-CB 4.31Å; F362-V365 HydrophobicContact CB-CG2 3.51Å; F362-V365 PolarHBondContact O-N 2.92Å
363	V	78.9	Confident	85.5	Confident	80 Å²	80	50.6 Å²	50.6	49%	0.485	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	127.4	-178.6	-171.1	0	0	0	0	110.9	V365 Y405	V363-V365 VanDerWaalsContact C-N 3.25Å; V363-V365 PolarHBondContact O-N 2.93Å; V363-Y405 HydrophobicContact CB-CD1 3.96Å; V363-Y405 HydrophobicContact CB-CE1 4.05Å; V363-Y405 HydrophobicContact CB-CG 4.49Å; V363-Y405 HydrophobicContact CG1-CD1 3.53Å; V363-Y405 HydrophobicContact CG1-CE1 3.74Å; V363-Y405 HydrophobicContact CG1-CG 4.41Å; V363-Y405 HydrophobicContact CG2-CD1 3.44Å; V363-Y405 VanDerWaalsContact CG2-CD1 3.44Å; V363-Y405 HydrophobicContact CG2-CD2 4.09Å; V363-Y405 HydrophobicContact CG2-CE1 3.16Å; V363-Y405 HydrophobicContact CG2-CE2 3.87Å; V363-Y405 HydrophobicContact CG2-CG 3.88Å
364	G	80.8	Confident	85.5	Confident	23 Å²	23	50.6 Å²	50.6	24%	0.237	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	-7.1	173	0	0	0	0	0	115.8	F362 S368	F362-G364 PolarHBondContact O-N 3.35Å; G364-S368 WeakPolarHBondContact O-CB 3.31Å; G364-S368 PolarHBondContact O-N 3.34Å
365	V	85.8	Confident	85.4	Confident	21 Å²	21	57.4 Å²	57.4	13%	0.127	29%	0.289	C	S	.	.	H	α-helix	trans	-67.4	-47	177.4	-177.5	0	0	0	0	110.8	E360 F362 V363 A367 S368 R369	E360-V365 WeakPolarHBondContact OE2-CG1 3.37Å; F362-V365 HydrophobicContact CB-CB 4.31Å; F362-V365 HydrophobicContact CB-CG2 3.51Å; F362-V365 PolarHBondContact O-N 2.92Å; V363-V365 VanDerWaalsContact C-N 3.25Å; V363-V365 PolarHBondContact O-N 2.93Å; V365-A367 VanDerWaalsContact C-N 3.35Å; V365-A367 PolarHBondContact O-N 3.08Å; V365-S368 WeakPolarHBondContact O-CB 3.45Å; V365-S368 PolarHBondContact O-N 2.94Å; V365-S368 VanDerWaalsContact O-N 3.11Å; V365-R369 PolarHBondContact O-N 2.89Å
366	G	86.6	Confident	85.5	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-57.4	-44.8	175.3	0	0	0	0	0	113	F358 S368 R369 I370	F358-G366 WeakPolarHBondContact O-CA 3.41Å; G366-S368 PolarHBondContact O-N 3.47Å; G366-R369 PolarHBondContact O-N 3.19Å; G366-I370 WeakPolarHBondContact O-CG1 3.46Å; G366-I370 PolarHBondContact O-N 3.34Å; G366-I370 VanDerWaalsContact O-N 3.1Å
367	A	86.9	Confident	85.6	Confident	2 Å²	2	57.6 Å²	57.6	2%	0.017	28%	0.283	C	S	.	.	H	α-helix	trans	-63.1	-38.1	175.7	0	0	0	0	0	112.7	V365 R371 Q408 Q412	V365-A367 VanDerWaalsContact C-N 3.35Å; V365-A367 PolarHBondContact O-N 3.08Å; A367-R371 WeakPolarHBondContact O-CG 3.36Å; A367-R371 PolarHBondContact O-N 3.34Å; A367-R371 VanDerWaalsContact O-N 3.15Å; A367-Q408 HydrophobicContact CB-CG 4.3Å; A367-Q412 HydrophobicContact CB-CB 3.89Å; A367-Q412 HydrophobicContact CB-CG 4.09Å; A367-Q412 WeakPolarHBondContact O-CG 3.15Å
368	S	89.4	Confident	85.6	Confident	53 Å²	53	57 Å²	57	37%	0.371	28%	0.279	S	S	.	.	H	α-helix	trans	-66.5	-41.3	176.4	-166	0	0	0	0	112.1	G364 V365 G366 I370 R371 N372	G364-S368 WeakPolarHBondContact O-CB 3.31Å; G364-S368 PolarHBondContact O-N 3.34Å; V365-S368 WeakPolarHBondContact O-CB 3.45Å; V365-S368 PolarHBondContact O-N 2.94Å; V365-S368 VanDerWaalsContact O-N 3.11Å; G366-S368 PolarHBondContact O-N 3.47Å; S368-I370 PolarHBondContact O-N 2.78Å; S368-R371 WeakPolarHBondContact O-CB 3.46Å; S368-R371 PolarHBondContact O-N 3.12Å; S368-N372 PolarHBondContact O-N 3.25Å
369	R	89.6	Confident	85.9	Confident	53 Å²	53	60.5 Å²	60.5	20%	0.2	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-43.2	176.9	-72.3	-175.6	-177.4	178.2	4.7	112.2	E357 F358 E360 V365 G366 R371 N372 L373	E357-R369 PolarHBondContact O-NH1 2.78Å; F358-R369 HydrophobicContact CD1-CB 3.96Å; F358-R369 HydrophobicContact CE1-CB 4.06Å; E360-R369 IonicContact OE1-CZ 3.91Å; E360-R369 IonicContact OE1-NE 3.69Å; E360-R369 IonicContact OE1-NH1 2.74Å; E360-R369 PolarHBondContact OE1-NH1 3.14Å; E360-R369 IonicContact OE1-NH2 3.69Å; E360-R369 PolarHBondContact OE1-NH2 3.43Å; E360-R369 IonicContact OE2-CZ 3.36Å; E360-R369 IonicContact OE2-NH2 2.74Å; E360-R369 PolarHBondContact OE2-NH2 3.23Å; V365-R369 PolarHBondContact O-N 2.89Å; G366-R369 PolarHBondContact O-N 3.19Å; R369-R371 PolarHBondContact O-N 3.38Å; R369-N372 PolarHBondContact O-N 3.06Å; R369-L373 WeakPolarHBondContact O-CB 3.41Å; R369-L373 PolarHBondContact O-N 3.46Å
370	I	91.2	Very high	86.3	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-57	-50.5	173.9	-70.2	169.8	0	0	0	109.8	F358 G366 S368 N372 L373 F374 T409 Q412 L413 E416	F358-I370 HydrophobicContact CB-CD1 4.45Å; F358-I370 HydrophobicContact CD1-CD1 4.37Å; F358-I370 HydrophobicContact CD1-CG1 3.69Å; F358-I370 HydrophobicContact CE1-CG1 3.81Å; F358-I370 HydrophobicContact CG-CD1 4.29Å; F358-I370 HydrophobicContact CG-CG1 4.07Å; F358-I370 HydrophobicContact CZ-CG1 4.28Å; G366-I370 WeakPolarHBondContact O-CG1 3.46Å; G366-I370 PolarHBondContact O-N 3.34Å; G366-I370 VanDerWaalsContact O-N 3.1Å; S368-I370 PolarHBondContact O-N 2.78Å; I370-N372 VanDerWaalsContact C-N 3.3Å; I370-N372 PolarHBondContact O-N 3.12Å; I370-L373 PolarHBondContact O-N 2.96Å; I370-F374 HydrophobicContact CG2-CD2 3.7Å; I370-F374 HydrophobicContact CG2-CE2 3.82Å; I370-F374 VanDerWaalsContact O-CD2 3.24Å; I370-F374 WeakPolarHBondContact O-CD2 3.37Å; I370-F374 PolarHBondContact O-N 2.92Å; I370-T409 HydrophobicContact CD1-CG2 3.39Å; I370-T409 WeakPolarHBondContact CD1-O 3.34Å; I370-Q412 HydrophobicContact CB-CG 4.37Å; I370-Q412 HydrophobicContact CG2-CG 4.09Å; I370-L413 HydrophobicContact CD1-CB 4.16Å; I370-L413 HydrophobicContact CG2-CB 4.45Å; I370-L413 HydrophobicContact CG2-CD1 4.41Å; I370-E416 HydrophobicContact CG2-CG 4.14Å
371	R	90.6	Very high	86.8	Confident	126 Å²	126	59.7 Å²	59.7	48%	0.475	31%	0.313	S	S	.	.	H	α-helix	trans	-56.5	-44	177.6	-72.2	177.2	-171.1	160.3	5.6	112.8	A367 S368 R369 K375 Q412	A367-R371 WeakPolarHBondContact O-CG 3.36Å; A367-R371 PolarHBondContact O-N 3.34Å; A367-R371 VanDerWaalsContact O-N 3.15Å; S368-R371 WeakPolarHBondContact O-CB 3.46Å; S368-R371 PolarHBondContact O-N 3.12Å; R369-R371 PolarHBondContact O-N 3.38Å; R371-K375 VanDerWaalsContact O-CB 3.24Å; R371-K375 WeakPolarHBondContact O-CB 3.12Å; R371-K375 PolarHBondContact O-N 3.44Å; R371-Q412 HydrophobicContact CG-CG 3.93Å; R371-Q412 VanDerWaalsContact CG-NE2 3.26Å; R371-Q412 VanDerWaalsContact CZ-OE1 3.31Å; R371-Q412 VanDerWaalsContact NE-NE2 3.16Å
372	N	91.3	Very high	87.5	Confident	55 Å²	55	54.1 Å²	54.1	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-65.4	-46.3	-179.8	-70.9	-10.8	0	0	0	111.4	S368 R369 I370 F374 K375 E376	S368-N372 PolarHBondContact O-N 3.25Å; R369-N372 PolarHBondContact O-N 3.06Å; I370-N372 VanDerWaalsContact C-N 3.3Å; I370-N372 PolarHBondContact O-N 3.12Å; N372-F374 PolarHBondContact O-N 2.98Å; N372-K375 WeakPolarHBondContact O-CB 3.14Å; N372-K375 PolarHBondContact O-N 3.15Å; N372-K375 VanDerWaalsContact O-N 3.16Å; N372-E376 WeakPolarHBondContact O-CG 3.21Å; N372-E376 PolarHBondContact O-N 3Å
373	L	91.1	Very high	88.1	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-55.5	-49.4	175.5	175.8	64.8	0	0	0	111.7	V278 Y351 A353 F358 R369 I370 K375 E376 A377 I385	V278-L373 HydrophobicContact CB-CD1 4.23Å; V278-L373 HydrophobicContact CG1-CD1 4.3Å; V278-L373 HydrophobicContact CG2-CD1 4.2Å; Y351-L373 HydrophobicContact CD1-CD1 4.36Å; Y351-L373 HydrophobicContact CG-CD1 4.42Å; A353-L373 HydrophobicContact CB-CD2 4.03Å; F358-L373 HydrophobicContact CZ-CD2 3.98Å; R369-L373 WeakPolarHBondContact O-CB 3.41Å; R369-L373 PolarHBondContact O-N 3.46Å; I370-L373 PolarHBondContact O-N 2.96Å; L373-K375 VanDerWaalsContact C-N 3.34Å; L373-K375 PolarHBondContact O-N 3.17Å; L373-E376 PolarHBondContact O-N 3.1Å; L373-A377 WeakPolarHBondContact O-CB 3.39Å; L373-A377 PolarHBondContact O-N 2.85Å; L373-I385 HydrophobicContact CD1-CG2 4.43Å; L373-I385 HydrophobicContact CD2-CG2 3.87Å; L373-I385 HydrophobicContact CG-CG2 4.22Å
374	F	90.7	Very high	88.7	Confident	1 Å²	1	43.1 Å²	43.1	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-67.8	-33.8	179	-82.9	-83.8	0	0	0	112.5	I370 N372 K378 I385 L413 E416 F420 V428	I370-F374 HydrophobicContact CG2-CD2 3.7Å; I370-F374 HydrophobicContact CG2-CE2 3.82Å; I370-F374 VanDerWaalsContact O-CD2 3.24Å; I370-F374 WeakPolarHBondContact O-CD2 3.37Å; I370-F374 PolarHBondContact O-N 2.92Å; N372-F374 PolarHBondContact O-N 2.98Å; F374-K378 WeakPolarHBondContact O-CB 3.27Å; F374-K378 WeakPolarHBondContact O-CD 3.25Å; F374-K378 WeakPolarHBondContact O-CG 3.03Å; F374-K378 PolarHBondContact O-N 3.13Å; F374-I385 HydrophobicContact CD1-CD1 3.82Å; F374-I385 HydrophobicContact CE1-CD1 3.76Å; F374-I385 HydrophobicContact CG-CD1 4.4Å; F374-I385 HydrophobicContact CZ-CD1 4.28Å; F374-L413 HydrophobicContact CE2-CD1 3.56Å; F374-L413 HydrophobicContact CZ-CD1 3.71Å; F374-E416 HydrophobicContact CB-CB 4.31Å; F374-E416 HydrophobicContact CB-CG 4.09Å; F374-E416 HydrophobicContact CD1-CB 3.97Å; F374-E416 HydrophobicContact CD2-CB 3.77Å; F374-E416 HydrophobicContact CD2-CG 3.88Å; F374-E416 HydrophobicContact CE1-CB 4.25Å; F374-E416 HydrophobicContact CE2-CB 4.08Å; F374-E416 HydrophobicContact CG-CB 3.73Å; F374-E416 HydrophobicContact CG-CG 3.94Å; F374-E416 HydrophobicContact CZ-CB 4.31Å; F374-F420 HydrophobicContact CD1-CE1 4.09Å; F374-F420 AromaticContact CD1-CE2 3.88Å; F374-F420 HydrophobicContact CD1-CE2 3.88Å; F374-F420 AromaticContact CD1-CZ 3.28Å; F374-F420 HydrophobicContact CD1-CZ 3.28Å; F374-F420 HydrophobicContact CE1-CE1 4.45Å; F374-F420 AromaticContact CE1-CE2 3.47Å; F374-F420 HydrophobicContact CE1-CE2 3.47Å; F374-F420 VanDerWaalsContact CE1-CE2 3.47Å; F374-F420 AromaticContact CE1-CZ 3.28Å; F374-F420 HydrophobicContact CE1-CZ 3.28Å; F374-V428 HydrophobicContact CE1-CG2 3.74Å; F374-V428 HydrophobicContact CZ-CG2 4Å
375	K	90.2	Very high	89.4	Confident	155 Å²	155	42 Å²	42	67%	0.674	22%	0.224	S	C	*	.	H	α-helix	trans	-66.5	-42.9	175.5	-175.4	-175.7	177.5	-170.5	0	111.8	R371 N372 L373 A379	R371-K375 VanDerWaalsContact O-CB 3.24Å; R371-K375 WeakPolarHBondContact O-CB 3.12Å; R371-K375 PolarHBondContact O-N 3.44Å; N372-K375 WeakPolarHBondContact O-CB 3.14Å; N372-K375 PolarHBondContact O-N 3.15Å; N372-K375 VanDerWaalsContact O-N 3.16Å; L373-K375 VanDerWaalsContact C-N 3.34Å; L373-K375 PolarHBondContact O-N 3.17Å; K375-A379 PolarHBondContact O-N 3.3Å
376	E	89.4	Confident	89.9	Confident	60 Å²	60	41 Å²	41	28%	0.28	22%	0.218	S	C	.	.	H	α-helix	trans	-67.7	-43.5	177.5	-73.7	177	180	0	0	111.8	V278 Y351 N372 L373 A379 N380	V278-E376 PolarHBondContact N-OE2 2.71Å; Y351-E376 HydrophobicContact CE1-CB 4.49Å; N372-E376 WeakPolarHBondContact O-CG 3.21Å; N372-E376 PolarHBondContact O-N 3Å; L373-E376 PolarHBondContact O-N 3.1Å; E376-A379 PolarHBondContact O-N 3.01Å; E376-N380 PolarHBondContact O-N 3.29Å; E376-N380 PolarHBondContact O-ND2 2.65Å
377	A	89.3	Confident	90.2	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-43.6	174.3	0	0	0	0	0	112.4	Y351 L373 A379 N380 A381 C383 I385 V426	Y351-A377 HydrophobicContact CD2-CB 4.19Å; Y351-A377 HydrophobicContact CE2-CB 4.2Å; L373-A377 WeakPolarHBondContact O-CB 3.39Å; L373-A377 PolarHBondContact O-N 2.85Å; A377-A379 PolarHBondContact O-N 2.73Å; A377-N380 CarbonylContact O-C 3.46Å; A377-N380 PolarHBondContact O-N 3.08Å; A377-N380 VanDerWaalsContact O-N 3.09Å; A377-A381 PolarHBondContact O-N 2.97Å; A377-A381 VanDerWaalsContact O-N 3.16Å; A377-C383 VanDerWaalsContact CB-SG 3.59Å; A377-C383 PolarHBondContact O-SG 2.74Å; A377-I385 HydrophobicContact CB-CD1 3.45Å; A377-I385 VanDerWaalsContact CB-CD1 3.45Å; A377-I385 HydrophobicContact CB-CG1 3.69Å; A377-V426 HydrophobicContact CB-CG1 4.35Å
378	K	87.1	Confident	90.5	Very high	76 Å²	76	42.1 Å²	42.1	33%	0.33	22%	0.224	S	C	.	.	H	α-helix	trans	-60.5	-32.8	175.6	-75.9	166.7	-177.1	169.4	0	112.6	F374 N380 E416 F420	F374-K378 WeakPolarHBondContact O-CB 3.27Å; F374-K378 WeakPolarHBondContact O-CD 3.25Å; F374-K378 WeakPolarHBondContact O-CG 3.03Å; F374-K378 PolarHBondContact O-N 3.13Å; K378-N380 VanDerWaalsContact C-N 3.34Å; K378-E416 IonicContact NZ-OE2 3.59Å; K378-E416 PolarHBondContact NZ-OE2 2.73Å; K378-F420 VanDerWaalsContact CE-CE1 3.47Å; K378-F420 HydrophobicContact CG-CE1 4.23Å
379	A	88.9	Confident	90.6	Very high	81 Å²	81	43.9 Å²	43.9	67%	0.669	23%	0.226	S	C	*	.	H	α-helix	trans	-73.5	-25.2	177.4	0	0	0	0	0	113.2	K375 E376 A377	K375-A379 PolarHBondContact O-N 3.3Å; E376-A379 PolarHBondContact O-N 3.01Å; A377-A379 PolarHBondContact O-N 2.73Å
380	N	87.9	Confident	90.7	Very high	83 Å²	83	41.4 Å²	41.4	44%	0.444	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	25.2	-175.7	-63.4	-69.9	0	0	0	113.1	Y351 E376 A377 K378	Y351-N380 WeakPolarHBondContact OH-CB 3.18Å; Y351-N380 PolarHBondContact OH-ND2 2.79Å; E376-N380 PolarHBondContact O-N 3.29Å; E376-N380 PolarHBondContact O-ND2 2.65Å; A377-N380 CarbonylContact O-C 3.46Å; A377-N380 PolarHBondContact O-N 3.08Å; A377-N380 VanDerWaalsContact O-N 3.09Å; K378-N380 VanDerWaalsContact C-N 3.34Å
381	A	85.6	Confident	90.5	Very high	43 Å²	43	43.2 Å²	43.2	36%	0.355	23%	0.227	S	C	.	.			trans	-68.8	143.7	178.4	0	0	0	0	0	111.8	A377 E424 V426	A377-A381 PolarHBondContact O-N 2.97Å; A377-A381 VanDerWaalsContact O-N 3.16Å; A381-E424 VanDerWaalsContact CB-O 3.29Å; A381-E424 WeakPolarHBondContact CB-O 3.45Å; A381-V426 HydrophobicContact CB-CG2 3.81Å
382	P	88.6	Confident	90.2	Very high	64 Å²	64	39.1 Å²	39.1	42%	0.416	22%	0.217	S	C	.	.	S	Bend	cis	-76.8	137.7	3.9	31.4	-34.8	0	0	0	112.9	V348 P349 G425	V348-P382 HydrophobicContact CG1-CB 4.29Å; V348-P382 HydrophobicContact CG1-CG 4.11Å; P349-P382 WeakPolarHBondContact CD-O 3.49Å; P382-G425 WeakPolarHBondContact CA-O 3.36Å; P382-G425 WeakPolarHBondContact CB-O 3.47Å
383	C	90.6	Very high	89.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	164.5	-178.6	68.9	0	0	0	0	112.4	P349 Y351 A377 G425 I427	P349-C383 HydrophobicContact CB-CB 4.12Å; P349-C383 WeakPolarHBondContact O-CB 3.48Å; Y351-C383 HydrophobicContact CD2-CB 4.26Å; Y351-C383 HydrophobicContact CE2-CB 4.02Å; A377-C383 VanDerWaalsContact CB-SG 3.59Å; A377-C383 PolarHBondContact O-SG 2.74Å; C383-G425 PolarHBondContact N-O 3.38Å; C383-I427 PolarHBondContact O-N 3.36Å; C383-I427 VanDerWaalsContact O-N 3.14Å
384	V	92.3	Very high	89.1	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.3	175.5	176.4	0	0	0	0	109.9	L308 A343 V348 P349 F350 Y351 I429	L308-V384 HydrophobicContact CD1-CG2 3.97Å; A343-V384 HydrophobicContact CB-CB 4.17Å; A343-V384 HydrophobicContact CB-CG2 4.14Å; V348-V384 HydrophobicContact CG2-CG2 3.85Å; P349-V384 PolarHBondContact O-N 2.9Å; F350-V384 HydrophobicContact CD2-CB 4.31Å; F350-V384 HydrophobicContact CD2-CG1 4.1Å; F350-V384 HydrophobicContact CE2-CG1 4.28Å; Y351-V384 PolarHBondContact N-O 3.35Å; V384-I429 HydrophobicContact CG1-CD1 3.71Å; V384-I429 HydrophobicContact CG1-CG1 4.04Å
385	I	94.2	Very high	88.6	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	119.5	169.8	-54.9	175.2	0	0	0	107.8	L373 F374 A377 I387 V426 I427 V428 I429	L373-I385 HydrophobicContact CD1-CG2 4.43Å; L373-I385 HydrophobicContact CD2-CG2 3.87Å; L373-I385 HydrophobicContact CG-CG2 4.22Å; F374-I385 HydrophobicContact CD1-CD1 3.82Å; F374-I385 HydrophobicContact CE1-CD1 3.76Å; F374-I385 HydrophobicContact CG-CD1 4.4Å; F374-I385 HydrophobicContact CZ-CD1 4.28Å; A377-I385 HydrophobicContact CB-CD1 3.45Å; A377-I385 VanDerWaalsContact CB-CD1 3.45Å; A377-I385 HydrophobicContact CB-CG1 3.69Å; I385-I387 HydrophobicContact CG2-CG1 4.29Å; I385-V426 HydrophobicContact CD1-CG1 3.85Å; I385-V426 HydrophobicContact CG1-CG1 4.18Å; I385-I427 PolarHBondContact N-O 2.74Å; I385-V428 HydrophobicContact CD1-CG2 4.46Å; I385-V428 CarbonylContact O-C 3.49Å; I385-V428 WeakPolarHBondContact O-CA 3.43Å; I385-I429 PolarHBondContact O-N 3.2Å
386	F	95.6	Very high	87.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.5	174.3	-178.4	-102.9	0	0	0	111.2	L327 T336 A339 F350 Y351 Y352 A353 D388 I429 A431	L327-F386 HydrophobicContact CD1-CE2 4.42Å; T336-F386 HydrophobicContact CG2-CD1 4.39Å; T336-F386 HydrophobicContact CG2-CE1 3.67Å; T336-F386 HydrophobicContact CG2-CZ 4.2Å; A339-F386 HydrophobicContact CB-CD2 3.19Å; A339-F386 HydrophobicContact CB-CE2 3.42Å; A339-F386 VanDerWaalsContact CB-CE2 3.42Å; A339-F386 HydrophobicContact CB-CG 3.93Å; A339-F386 HydrophobicContact CB-CZ 4.3Å; F350-F386 HydrophobicContact CE1-CB 4.31Å; F350-F386 HydrophobicContact CE2-CB 3.49Å; F350-F386 VanDerWaalsContact CE2-CB 3.49Å; F350-F386 HydrophobicContact CE2-CG 4.19Å; F350-F386 HydrophobicContact CZ-CB 3.33Å; F350-F386 HydrophobicContact CZ-CD1 4.06Å; F350-F386 AromaticContact CZ-CG 3.79Å; F350-F386 HydrophobicContact CZ-CG 3.79Å; Y351-F386 PolarHBondContact O-N 2.65Å; Y352-F386 AromaticContact CD2-CD1 3.66Å; Y352-F386 HydrophobicContact CD2-CD1 3.66Å; Y352-F386 HydrophobicContact CD2-CE1 4.2Å; Y352-F386 AromaticContact CE2-CD1 3.89Å; Y352-F386 HydrophobicContact CE2-CD1 3.89Å; Y352-F386 AromaticContact CE2-CE1 3.97Å; Y352-F386 HydrophobicContact CE2-CE1 3.97Å; A353-F386 PolarHBondContact N-O 3.33Å; F386-D388 HydrophobicContact CD1-CB 4.41Å; F386-D388 HydrophobicContact CE1-CB 3.61Å; F386-D388 HydrophobicContact CZ-CB 4.19Å; F386-I429 CarbonylContact C-O 3.35Å; F386-I429 VanDerWaalsContact CA-O 3.27Å; F386-I429 WeakPolarHBondContact CA-O 3.39Å; F386-I429 HydrophobicContact CD2-CB 3.97Å; F386-I429 HydrophobicContact CD2-CG2 3.79Å; F386-I429 WeakPolarHBondContact CD2-O 3.32Å; F386-I429 HydrophobicContact CE2-CG2 4.08Å; F386-A431 HydrophobicContact CE2-CB 3.82Å; F386-A431 HydrophobicContact CZ-CB 3.61Å
387	I	94.4	Very high	86.5	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	106	175.3	-56.2	175.3	0	0	0	108.2	A353 F358 I385 L390 L413 V428 I429 G430 A431	A353-I387 VanDerWaalsContact O-CA 3.3Å; A353-I387 WeakPolarHBondContact O-CA 3.32Å; F358-I387 HydrophobicContact CE2-CG2 4.22Å; I385-I387 HydrophobicContact CG2-CG1 4.29Å; I387-L390 HydrophobicContact CG2-CD1 3.91Å; I387-L413 HydrophobicContact CD1-CD1 4.02Å; I387-V428 HydrophobicContact CD1-CG1 4.22Å; I387-I429 PolarHBondContact N-O 3.1Å; I387-G430 CarbonylContact O-C 3.54Å; I387-G430 WeakPolarHBondContact O-CA 3.45Å; I387-A431 PolarHBondContact O-N 3.11Å
388	D	93.6	Very high	84.9	Confident	25 Å²	25	47.2 Å²	47.2	13%	0.134	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	161.9	173.7	-143.3	-25.2	0	0	0	111.2	T336 Y352 A353 G355 F386 L390	T336-D388 PolarHBondContact OG1-OD2 2.93Å; Y352-D388 HydrophobicContact CE2-CB 4.29Å; A353-D388 PolarHBondContact O-N 3.28Å; G355-D388 WeakPolarHBondContact CA-O 3.41Å; G355-D388 PolarHBondContact N-O 3.26Å; F386-D388 HydrophobicContact CD1-CB 4.41Å; F386-D388 HydrophobicContact CE1-CB 3.61Å; F386-D388 HydrophobicContact CZ-CB 4.19Å; D388-L390 PolarHBondContact O-N 3.49Å; D388-L390 VanDerWaalsContact O-N 3.16Å
389	E	90.9	Very high	83.2	Confident	90 Å²	90	51.7 Å²	51.7	42%	0.421	28%	0.279	S	S	.	.			trans	47.4	45.9	177.8	-58.4	-174	154.7	0	0	113.1	S356 D391 S392 A431	S356-E389 PolarHBondContact OG-OE2 3.48Å; E389-D391 WeakPolarHBondContact CA-OD1 3.43Å; E389-D391 PolarHBondContact O-N 3.34Å; E389-S392 WeakPolarHBondContact O-CB 3.1Å; E389-S392 PolarHBondContact O-N 3.36Å; E389-S392 PolarHBondContact O-OG 3.09Å; E389-A431 PolarHBondContact N-O 3.03Å
390	L	90.7	Very high	81.5	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59	-22.2	-175.7	-175.5	66.5	0	0	0	112.1	L326 I387 D388 S392 V393 G394 L413 A431 L438 F448	L326-L390 HydrophobicContact CD1-CD2 3.74Å; I387-L390 HydrophobicContact CG2-CD1 3.91Å; D388-L390 PolarHBondContact O-N 3.49Å; D388-L390 VanDerWaalsContact O-N 3.16Å; L390-S392 VanDerWaalsContact C-N 3.28Å; L390-S392 PolarHBondContact O-N 3.32Å; L390-V393 HydrophobicContact CD1-CG2 3.97Å; L390-V393 WeakPolarHBondContact O-CG2 3.32Å; L390-V393 PolarHBondContact O-N 3.48Å; L390-G394 WeakPolarHBondContact O-CA 3.26Å; L390-G394 PolarHBondContact O-N 3Å; L390-L413 HydrophobicContact CD1-CD2 4.11Å; L390-A431 WeakPolarHBondContact CB-O 3.23Å; L390-A431 PolarHBondContact N-O 3.41Å; L390-L438 HydrophobicContact CD2-CD1 4.27Å; L390-L438 HydrophobicContact CG-CD2 4.29Å; L390-F448 HydrophobicContact CD2-CD2 4.2Å; L390-F448 HydrophobicContact CD2-CE2 3.58Å; L390-F448 HydrophobicContact CD2-CZ 3.8Å
391	D	87.7	Confident	80.1	Confident	43 Å²	43	52.7 Å²	52.7	23%	0.23	29%	0.285	C	S	.	.	H	α-helix	trans	-65.5	-24.2	175.4	51.8	-35.8	0	0	0	114.5	E389 V393 G395 L438	E389-D391 WeakPolarHBondContact CA-OD1 3.43Å; E389-D391 PolarHBondContact O-N 3.34Å; D391-V393 VanDerWaalsContact C-N 3.32Å; D391-V393 PolarHBondContact O-N 2.91Å; D391-G395 PolarHBondContact O-N 3.24Å; D391-L438 HydrophobicContact CB-CD2 4.2Å
392	S	84	Confident	78.6	Confident	39 Å²	39	58 Å²	58	27%	0.273	31%	0.305	S	S	.	.	H	α-helix	trans	-61.6	-40.8	173.8	59.6	0	0	0	0	112.2	G355 S356 E389 L390	G355-S392 VanDerWaalsContact CA-OG 3.27Å; G355-S392 WeakPolarHBondContact CA-OG 3.33Å; G355-S392 PolarHBondContact O-OG 3.27Å; S356-S392 PolarHBondContact N-OG 2.85Å; E389-S392 WeakPolarHBondContact O-CB 3.1Å; E389-S392 PolarHBondContact O-N 3.36Å; E389-S392 PolarHBondContact O-OG 3.09Å; L390-S392 VanDerWaalsContact C-N 3.28Å; L390-S392 PolarHBondContact O-N 3.32Å
393	V	80.8	Confident	77.2	Confident	7 Å²	7	60.4 Å²	60.4	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-99	-33.2	179.4	-68.4	0	0	0	0	112	G355 F358 D359 L390 D391 G395 T409 I410	G355-V393 WeakPolarHBondContact O-CG1 3.29Å; F358-V393 HydrophobicContact CB-CG1 3.86Å; F358-V393 HydrophobicContact CD2-CG1 4.37Å; D359-V393 HydrophobicContact CB-CG1 4.44Å; L390-V393 HydrophobicContact CD1-CG2 3.97Å; L390-V393 WeakPolarHBondContact O-CG2 3.32Å; L390-V393 PolarHBondContact O-N 3.48Å; D391-V393 VanDerWaalsContact C-N 3.32Å; D391-V393 PolarHBondContact O-N 2.91Å; V393-G395 PolarHBondContact O-N 3.16Å; V393-T409 HydrophobicContact CG1-CG2 4.46Å; V393-I410 WeakPolarHBondContact O-CD1 3.37Å; V393-I410 WeakPolarHBondContact O-CG1 3.4Å
394	G	79.5	Confident	75.9	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-92.5	9.8	-168	0	0	0	0	0	115.5	L390 L438 D439 L442	L390-G394 WeakPolarHBondContact O-CA 3.26Å; L390-G394 PolarHBondContact O-N 3Å; G394-L438 CarbonylContact O-C 3.55Å; G394-L438 VanDerWaalsContact O-CA 3.3Å; G394-L438 WeakPolarHBondContact O-CA 3.37Å; G394-D439 PolarHBondContact O-N 3.34Å; G394-L442 VanDerWaalsContact CA-CD1 3.47Å
395	G	79.5	Confident	74.7	Confident	28 Å²	28	68.8 Å²	68.8	29%	0.289	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-57.6	148.9	-175.7	0	0	0	0	0	114.8	D391 V393 R397 A437	D391-G395 PolarHBondContact O-N 3.24Å; V393-G395 PolarHBondContact O-N 3.16Å; G395-R397 PolarHBondContact O-N 2.63Å; G395-A437 CarbonylContact C-O 3.49Å; G395-A437 WeakPolarHBondContact CA-O 3.15Å
396	K	71	Confident	73.4	Confident	109 Å²	109	70.3 Å²	70.3	47%	0.474	36%	0.361	S	S	.	.			trans	-52.4	138.7	175.5	-83.3	174.3	176.4	166.9	0	110.8	I398 E436 A437 L438	K396-I398 VanDerWaalsContact C-N 3.3Å; K396-I398 PolarHBondContact O-N 3.18Å; K396-E436 WeakPolarHBondContact CE-O 3.3Å; K396-E436 PolarHBondContact NZ-O 3.46Å; K396-A437 WeakPolarHBondContact CG-O 3.35Å; K396-A437 PolarHBondContact N-O 3.46Å; K396-L438 WeakPolarHBondContact CE-O 3.49Å; K396-L438 WeakPolarHBondContact CG-O 3.32Å
397	R	64.4	Low	72.4	Confident	167 Å²	167	75.3 Å²	75.3	63%	0.63	38%	0.38	S	S	*	.			trans	-58.3	84.5	-179.8	-57.2	174.2	-169.3	-161.1	-4.5	111.4	G395 D439	G395-R397 PolarHBondContact O-N 2.63Å; R397-D439 IonicContact CZ-OD2 3.45Å; R397-D439 IonicContact NE-OD1 3.97Å; R397-D439 IonicContact NE-OD2 2.7Å; R397-D439 PolarHBondContact NE-OD2 3.31Å; R397-D439 IonicContact NH2-OD2 2.68Å; R397-D439 PolarHBondContact NH2-OD2 2.92Å
398	I	56.7	Low	71.7	Confident	135 Å²	135	79.2 Å²	79.2	69%	0.692	40%	0.399	S	S	*	.			trans	-87.2	123.5	164.6	-57.2	174.5	0	0	0	105.5	K396 S400	K396-I398 VanDerWaalsContact C-N 3.3Å; K396-I398 PolarHBondContact O-N 3.18Å; I398-S400 PolarHBondContact O-N 3.04Å
399	E	50.4	Low	71.3	Confident	169 Å²	169	78.5 Å²	78.5	79%	0.79	40%	0.395	S	S	*	.			trans	-68	68.2	169.1	-71.4	178.2	162.1	0	0	109.3	P401	E399-P401 WeakPolarHBondContact O-CD 3.34Å
400	S	53.8	Low	71	Confident	52 Å²	52	75 Å²	75	36%	0.364	38%	0.379	S	S	.	.			trans	-83.4	121.2	164.9	73.1	0	0	0	0	107.4	I398 M402	I398-S400 PolarHBondContact O-N 3.04Å; S400-M402 PolarHBondContact O-N 3.42Å
401	P	56.9	Low	70.8	Confident	133 Å²	133	79.3 Å²	79.3	86%	0.864	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-8.5	174.6	-20.8	32.4	0	0	0	113.3	E399	E399-P401 WeakPolarHBondContact O-CD 3.34Å
402	M	55	Low	70.9	Confident	156 Å²	156	78.5 Å²	78.5	77%	0.768	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-24.2	-169.5	-157.9	126.4	114.4	0	0	113.5	S400	S400-M402 PolarHBondContact O-N 3.42Å
403	H	59.2	Low	71.2	Confident	114 Å²	114	77 Å²	77	53%	0.528	39%	0.386	S	S	.	.			trans	-139.8	72	-177	-65.1	-74	0	0	0	113.6	Y405	H403-Y405 PolarHBondContact O-N 3.12Å
404	P	64.1	Low	71.6	Confident	67 Å²	67	77 Å²	77	44%	0.435	39%	0.386	S	S	.	.	S	Bend	trans	-67.1	-17.6	176.4	27.2	-33.7	0	0	0	113.7
405	Y	65.5	Low	72.1	Confident	108 Å²	108	79.5 Å²	79.5	42%	0.424	41%	0.406	S	S	.	.	S	Bend	trans	-83.4	-30.7	-169.6	-50.5	-57.6	0	0	0	114.7	V363 H403 R407 Q408	V363-Y405 HydrophobicContact CB-CD1 3.96Å; V363-Y405 HydrophobicContact CB-CE1 4.05Å; V363-Y405 HydrophobicContact CB-CG 4.49Å; V363-Y405 HydrophobicContact CG1-CD1 3.53Å; V363-Y405 HydrophobicContact CG1-CE1 3.74Å; V363-Y405 HydrophobicContact CG1-CG 4.41Å; V363-Y405 HydrophobicContact CG2-CD1 3.44Å; V363-Y405 VanDerWaalsContact CG2-CD1 3.44Å; V363-Y405 HydrophobicContact CG2-CD2 4.09Å; V363-Y405 HydrophobicContact CG2-CE1 3.16Å; V363-Y405 HydrophobicContact CG2-CE2 3.87Å; V363-Y405 HydrophobicContact CG2-CG 3.88Å; H403-Y405 PolarHBondContact O-N 3.12Å; Y405-R407 PolarHBondContact O-N 3.1Å; Y405-R407 VanDerWaalsContact O-N 3.14Å; Y405-Q408 WeakPolarHBondContact O-CB 3.42Å; Y405-Q408 PolarHBondContact O-N 3.29Å
406	S	67.4	Low	72.6	Confident	32 Å²	32	79.7 Å²	79.7	22%	0.224	40%	0.4	C	S	.	.	H	α-helix	trans	-55	-33.8	174.4	172.1	0	0	0	0	111.4	Q408 T409 I410	S406-Q408 VanDerWaalsContact C-N 3.33Å; S406-Q408 PolarHBondContact O-N 2.96Å; S406-T409 PolarHBondContact O-N 3.15Å; S406-I410 PolarHBondContact O-N 3.5Å
407	R	74.4	Confident	73.5	Confident	106 Å²	106	74.6 Å²	74.6	40%	0.4	38%	0.377	S	S	.	.	H	α-helix	trans	-61.4	-36	175.4	-61.7	179.7	174.9	-167.5	-6.2	113.8	Y405 N411	Y405-R407 PolarHBondContact O-N 3.1Å; Y405-R407 VanDerWaalsContact O-N 3.14Å; R407-N411 WeakPolarHBondContact O-CB 3.41Å; R407-N411 VanDerWaalsContact O-CG 3.28Å; R407-N411 PolarHBondContact O-N 2.85Å; R407-N411 VanDerWaalsContact O-N 3.12Å; R407-N411 PolarHBondContact O-ND2 3.3Å; R407-N411 VanDerWaalsContact O-ND2 3.16Å
408	Q	80.9	Confident	74.4	Confident	84 Å²	84	70.5 Å²	70.5	39%	0.393	37%	0.368	S	S	.	.	H	α-helix	trans	-68.3	-41.4	-178.9	-174.9	-178.7	-8.1	0	0	110.7	A367 Y405 S406 N411 Q412	A367-Q408 HydrophobicContact CB-CG 4.3Å; Y405-Q408 WeakPolarHBondContact O-CB 3.42Å; Y405-Q408 PolarHBondContact O-N 3.29Å; S406-Q408 VanDerWaalsContact C-N 3.33Å; S406-Q408 PolarHBondContact O-N 2.96Å; Q408-N411 PolarHBondContact O-N 3.47Å; Q408-Q412 PolarHBondContact O-N 3.45Å
409	T	84.4	Confident	75.4	Confident	10 Å²	10	66.5 Å²	66.5	6%	0.061	36%	0.36	C	S	.	.	H	α-helix	trans	-61.8	-47	177.3	-59.5	0	0	0	0	111.4	F358 I370 V393 S406 Q412 L413	F358-T409 HydrophobicContact CB-CG2 3.56Å; I370-T409 HydrophobicContact CD1-CG2 3.39Å; I370-T409 WeakPolarHBondContact CD1-O 3.34Å; V393-T409 HydrophobicContact CG1-CG2 4.46Å; S406-T409 PolarHBondContact O-N 3.15Å; T409-Q412 WeakPolarHBondContact O-CB 3.43Å; T409-Q412 PolarHBondContact O-N 2.93Å; T409-L413 PolarHBondContact O-N 3.46Å
410	I	84.8	Confident	76.5	Confident	15 Å²	15	59 Å²	59	8%	0.077	33%	0.325	C	S	.	.	H	α-helix	trans	-59.2	-51.2	175.8	-60.8	168.8	0	0	0	111.2	V393 S406 Q412 L413 L414	V393-I410 WeakPolarHBondContact O-CD1 3.37Å; V393-I410 WeakPolarHBondContact O-CG1 3.4Å; S406-I410 PolarHBondContact O-N 3.5Å; I410-Q412 PolarHBondContact O-N 3.01Å; I410-L413 WeakPolarHBondContact O-CB 3.15Å; I410-L413 PolarHBondContact O-N 3.24Å; I410-L414 HydrophobicContact CG2-CD1 4.04Å; I410-L414 HydrophobicContact CG2-CG 4.16Å; I410-L414 WeakPolarHBondContact O-CG 3.4Å; I410-L414 PolarHBondContact O-N 2.8Å
411	N	87.3	Confident	77.3	Confident	92 Å²	92	63.6 Å²	63.6	49%	0.492	34%	0.338	S	S	.	.	H	α-helix	trans	-60.6	-32.1	-177.5	-73.2	-28.4	0	0	0	111.6	R407 Q408 A415	R407-N411 WeakPolarHBondContact O-CB 3.41Å; R407-N411 VanDerWaalsContact O-CG 3.28Å; R407-N411 PolarHBondContact O-N 2.85Å; R407-N411 VanDerWaalsContact O-N 3.12Å; R407-N411 PolarHBondContact O-ND2 3.3Å; R407-N411 VanDerWaalsContact O-ND2 3.16Å; Q408-N411 PolarHBondContact O-N 3.47Å; N411-A415 WeakPolarHBondContact O-CB 3.45Å; N411-A415 PolarHBondContact O-N 3.15Å
412	Q	90	Very high	77.6	Confident	26 Å²	26	60 Å²	60	12%	0.121	32%	0.315	C	S	.	.	H	α-helix	trans	-68.2	-43.3	173.2	-171.7	59.7	48.5	0	0	112.3	A367 I370 R371 Q408 T409 I410 L414 A415 E416	A367-Q412 HydrophobicContact CB-CB 3.89Å; A367-Q412 HydrophobicContact CB-CG 4.09Å; A367-Q412 WeakPolarHBondContact O-CG 3.15Å; I370-Q412 HydrophobicContact CB-CG 4.37Å; I370-Q412 HydrophobicContact CG2-CG 4.09Å; R371-Q412 HydrophobicContact CG-CG 3.93Å; R371-Q412 VanDerWaalsContact CG-NE2 3.26Å; R371-Q412 VanDerWaalsContact CZ-OE1 3.31Å; R371-Q412 VanDerWaalsContact NE-NE2 3.16Å; Q408-Q412 PolarHBondContact O-N 3.45Å; T409-Q412 WeakPolarHBondContact O-CB 3.43Å; T409-Q412 PolarHBondContact O-N 2.93Å; I410-Q412 PolarHBondContact O-N 3.01Å; Q412-L414 VanDerWaalsContact C-N 3.31Å; Q412-L414 PolarHBondContact O-N 3.43Å; Q412-A415 PolarHBondContact O-N 3.13Å; Q412-E416 PolarHBondContact NE2-OE1 2.74Å; Q412-E416 PolarHBondContact O-N 3.13Å
413	L	90.2	Very high	78	Confident	6 Å²	6	57.3 Å²	57.3	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-57.1	-46.7	173.5	-178.9	59.8	0	0	0	110.9	I370 F374 I387 L390 T409 I410 A415 E416 M417 L442	I370-L413 HydrophobicContact CD1-CB 4.16Å; I370-L413 HydrophobicContact CG2-CB 4.45Å; I370-L413 HydrophobicContact CG2-CD1 4.41Å; F374-L413 HydrophobicContact CE2-CD1 3.56Å; F374-L413 HydrophobicContact CZ-CD1 3.71Å; I387-L413 HydrophobicContact CD1-CD1 4.02Å; L390-L413 HydrophobicContact CD1-CD2 4.11Å; T409-L413 PolarHBondContact O-N 3.46Å; I410-L413 WeakPolarHBondContact O-CB 3.15Å; I410-L413 PolarHBondContact O-N 3.24Å; L413-A415 VanDerWaalsContact C-N 3.34Å; L413-A415 PolarHBondContact O-N 3.45Å; L413-E416 PolarHBondContact O-N 3.24Å; L413-M417 HydrophobicContact CD1-CG 4.35Å; L413-M417 HydrophobicContact CD1-SD 4.38Å; L413-M417 HydrophobicContact CG-SD 4.18Å; L413-M417 VanDerWaalsContact O-CG 3.31Å; L413-M417 WeakPolarHBondContact O-CG 3.26Å; L413-M417 PolarHBondContact O-N 2.86Å; L413-L442 HydrophobicContact CD2-CD2 4.05Å
414	L	89.3	Confident	78.7	Confident	9 Å²	9	55.1 Å²	55.1	5%	0.047	29%	0.294	C	S	.	.	H	α-helix	trans	-60.3	-42.9	177.7	-63.5	-178.6	0	0	0	112.2	I410 Q412 M417 D418 A441 L442	I410-L414 HydrophobicContact CG2-CD1 4.04Å; I410-L414 HydrophobicContact CG2-CG 4.16Å; I410-L414 WeakPolarHBondContact O-CG 3.4Å; I410-L414 PolarHBondContact O-N 2.8Å; Q412-L414 VanDerWaalsContact C-N 3.31Å; Q412-L414 PolarHBondContact O-N 3.43Å; L414-M417 PolarHBondContact O-N 2.9Å; L414-D418 WeakPolarHBondContact O-CB 3.36Å; L414-D418 VanDerWaalsContact O-CG 3.26Å; L414-D418 PolarHBondContact O-N 2.69Å; L414-A441 HydrophobicContact CD1-CB 3.99Å; L414-L442 HydrophobicContact CD2-CD2 3.43Å; L414-L442 VanDerWaalsContact CD2-CD2 3.43Å; L414-L442 HydrophobicContact CD2-CG 4.03Å; L414-L442 HydrophobicContact CG-CD2 4.43Å
415	A	89.9	Confident	79.5	Confident	52 Å²	52	52.8 Å²	52.8	43%	0.43	28%	0.282	S	S	.	.	H	α-helix	trans	-64.9	-39.8	177.8	0	0	0	0	0	112.3	N411 Q412 L413 G419	N411-A415 WeakPolarHBondContact O-CB 3.45Å; N411-A415 PolarHBondContact O-N 3.15Å; Q412-A415 PolarHBondContact O-N 3.13Å; L413-A415 VanDerWaalsContact C-N 3.34Å; L413-A415 PolarHBondContact O-N 3.45Å; A415-G419 PolarHBondContact O-N 3.27Å
416	E	90.3	Very high	80.6	Confident	32 Å²	32	48 Å²	48	15%	0.15	26%	0.264	C	S	.	.	H	α-helix	trans	-67.1	-41	175.3	-69.8	-57.9	151.1	0	0	112.2	I370 F374 K378 Q412 L413 G419 F420	I370-E416 HydrophobicContact CG2-CG 4.14Å; F374-E416 HydrophobicContact CB-CB 4.31Å; F374-E416 HydrophobicContact CB-CG 4.09Å; F374-E416 HydrophobicContact CD1-CB 3.97Å; F374-E416 HydrophobicContact CD2-CB 3.77Å; F374-E416 HydrophobicContact CD2-CG 3.88Å; F374-E416 HydrophobicContact CE1-CB 4.25Å; F374-E416 HydrophobicContact CE2-CB 4.08Å; F374-E416 HydrophobicContact CG-CB 3.73Å; F374-E416 HydrophobicContact CG-CG 3.94Å; F374-E416 HydrophobicContact CZ-CB 4.31Å; K378-E416 IonicContact NZ-OE2 3.59Å; K378-E416 PolarHBondContact NZ-OE2 2.73Å; Q412-E416 PolarHBondContact NE2-OE1 2.74Å; Q412-E416 PolarHBondContact O-N 3.13Å; L413-E416 PolarHBondContact O-N 3.24Å; E416-G419 PolarHBondContact O-N 3.4Å; E416-F420 WeakPolarHBondContact O-CD2 3.44Å
417	M	88.3	Confident	81.7	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-65.7	-43.1	177.3	-68.7	-177.8	84.9	0	0	112.6	K323 L413 L414 G419 F420 R447 F448	K323-M417 PolarHBondContact NZ-O 2.86Å; L413-M417 HydrophobicContact CD1-CG 4.35Å; L413-M417 HydrophobicContact CD1-SD 4.38Å; L413-M417 HydrophobicContact CG-SD 4.18Å; L413-M417 VanDerWaalsContact O-CG 3.31Å; L413-M417 WeakPolarHBondContact O-CG 3.26Å; L413-M417 PolarHBondContact O-N 2.86Å; L414-M417 PolarHBondContact O-N 2.9Å; M417-G419 VanDerWaalsContact C-N 3.26Å; M417-G419 PolarHBondContact O-N 2.75Å; M417-F420 WeakPolarHBondContact O-CD2 3.26Å; M417-R447 HydrophobicContact CB-CG 4.22Å; M417-R447 HydrophobicContact CE-CB 3.84Å; M417-R447 HydrophobicContact SD-CB 4.22Å; M417-F448 HydrophobicContact CE-CD1 4.18Å; M417-F448 HydrophobicContact CE-CD2 3.82Å; M417-F448 HydrophobicContact CE-CE1 4.07Å; M417-F448 HydrophobicContact CE-CE2 3.72Å; M417-F448 HydrophobicContact CE-CG 4.06Å; M417-F448 HydrophobicContact CE-CZ 3.85Å; M417-F448 HydrophobicContact SD-CD2 4.28Å; M417-F448 HydrophobicContact SD-CE2 3.84Å; M417-F448 HydrophobicContact SD-CZ 4.25Å
418	D	84.7	Confident	82.6	Confident	81 Å²	81	41.4 Å²	41.4	43%	0.433	23%	0.234	S	C	.	.	H	α-helix	trans	-67	-32.9	176.3	-69.5	-13.1	0	0	0	111	K323 L414 F420 R447	K323-D418 PolarHBondContact NZ-O 2.69Å; L414-D418 WeakPolarHBondContact O-CB 3.36Å; L414-D418 VanDerWaalsContact O-CG 3.26Å; L414-D418 PolarHBondContact O-N 2.69Å; D418-F420 VanDerWaalsContact C-N 3.27Å; D418-F420 PolarHBondContact O-N 3.43Å; D418-R447 WeakPolarHBondContact OD1-CG 3.5Å; D418-R447 IonicContact OD1-CZ 2.9Å; D418-R447 IonicContact OD1-NE 2.93Å; D418-R447 PolarHBondContact OD1-NE 2.65Å; D418-R447 IonicContact OD1-NH2 3.81Å; D418-R447 IonicContact OD2-CZ 2.71Å; D418-R447 IonicContact OD2-NE 3.5Å; D418-R447 IonicContact OD2-NH2 2.85Å; D418-R447 PolarHBondContact OD2-NH2 3.39Å
419	G	77.9	Confident	83.3	Confident	51 Å²	51	37.5 Å²	37.5	53%	0.526	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-13.8	-178.6	0	0	0	0	0	115.9	A415 E416 M417	A415-G419 PolarHBondContact O-N 3.27Å; E416-G419 PolarHBondContact O-N 3.4Å; M417-G419 VanDerWaalsContact C-N 3.26Å; M417-G419 PolarHBondContact O-N 2.75Å
420	F	73.3	Confident	83.8	Confident	11 Å²	11	37 Å²	37	5%	0.048	21%	0.213	C	C	.	.			trans	-69.7	134.9	177.4	-70.4	-60.6	0	0	0	113.1	K323 F374 K378 E416 M417 D418 E424 V426 V428	K323-F420 HydrophobicContact CD-CB 4.47Å; K323-F420 VanDerWaalsContact CE-O 3.23Å; K323-F420 WeakPolarHBondContact CE-O 3.3Å; K323-F420 PolarHBondContact NZ-O 3.39Å; F374-F420 HydrophobicContact CD1-CE1 4.09Å; F374-F420 AromaticContact CD1-CE2 3.88Å; F374-F420 HydrophobicContact CD1-CE2 3.88Å; F374-F420 AromaticContact CD1-CZ 3.28Å; F374-F420 HydrophobicContact CD1-CZ 3.28Å; F374-F420 HydrophobicContact CE1-CE1 4.45Å; F374-F420 AromaticContact CE1-CE2 3.47Å; F374-F420 HydrophobicContact CE1-CE2 3.47Å; F374-F420 VanDerWaalsContact CE1-CE2 3.47Å; F374-F420 AromaticContact CE1-CZ 3.28Å; F374-F420 HydrophobicContact CE1-CZ 3.28Å; K378-F420 VanDerWaalsContact CE-CE1 3.47Å; K378-F420 HydrophobicContact CG-CE1 4.23Å; E416-F420 WeakPolarHBondContact O-CD2 3.44Å; M417-F420 WeakPolarHBondContact O-CD2 3.26Å; D418-F420 VanDerWaalsContact C-N 3.27Å; D418-F420 PolarHBondContact O-N 3.43Å; F420-E424 WeakPolarHBondContact CD1-OE2 3.44Å; F420-V426 HydrophobicContact CE1-CB 3.97Å; F420-V426 HydrophobicContact CE1-CG1 3.97Å; F420-V426 HydrophobicContact CE1-CG2 4.43Å; F420-V426 HydrophobicContact CZ-CB 4.27Å; F420-V426 HydrophobicContact CZ-CG1 3.84Å; F420-V428 HydrophobicContact CE2-CG2 3.96Å; F420-V428 HydrophobicContact CZ-CG2 4.32Å
421	K	69.9	Low	84.4	Confident	149 Å²	149	36.3 Å²	36.3	65%	0.648	21%	0.209	S	C	*	.			trans	-74.3	140.3	158.2	-62.7	174.8	-175.9	172.5	0	108.9	N423 E424	K421-N423 PolarHBondContact O-N 3.27Å; K421-E424 HydrophobicContact CB-CG 4.03Å; K421-E424 WeakPolarHBondContact CB-OE1 3.31Å; K421-E424 WeakPolarHBondContact CG-OE1 3.34Å; K421-E424 PolarHBondContact N-OE1 2.93Å; K421-E424 PolarHBondContact O-N 3.09Å; K421-E424 VanDerWaalsContact O-N 3.17Å
422	P	63.3	Low	84.7	Confident	59 Å²	59	32 Å²	32	38%	0.383	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-9.4	-173.8	20.7	-31.5	0	0	0	115.7
423	N	63.5	Low	84.8	Confident	98 Å²	98	33.1 Å²	33.1	52%	0.524	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	18.5	-177.5	-64.6	1.7	0	0	0	113.2	K421 G425	K421-N423 PolarHBondContact O-N 3.27Å; N423-G425 PolarHBondContact O-N 2.96Å
424	E	73.9	Confident	84.8	Confident	69 Å²	69	38.3 Å²	38.3	32%	0.322	22%	0.216	S	C	.	.	S	Bend	trans	-74.6	-7	177.9	-83.9	169.4	-161.7	0	0	113.7	A381 F420 K421 V426	A381-E424 VanDerWaalsContact CB-O 3.29Å; A381-E424 WeakPolarHBondContact CB-O 3.45Å; F420-E424 WeakPolarHBondContact CD1-OE2 3.44Å; K421-E424 HydrophobicContact CB-CG 4.03Å; K421-E424 WeakPolarHBondContact CB-OE1 3.31Å; K421-E424 WeakPolarHBondContact CG-OE1 3.34Å; K421-E424 PolarHBondContact N-OE1 2.93Å; K421-E424 PolarHBondContact O-N 3.09Å; K421-E424 VanDerWaalsContact O-N 3.17Å; E424-V426 VanDerWaalsContact C-N 3.27Å; E424-V426 PolarHBondContact O-N 3.36Å
425	G	80.8	Confident	84.7	Confident	17 Å²	17	39.4 Å²	39.4	18%	0.175	23%	0.226	C	C	.	.			trans	73.3	14	174.6	0	0	0	0	0	114.9	P382 C383 N423	P382-G425 WeakPolarHBondContact CA-O 3.36Å; P382-G425 WeakPolarHBondContact CB-O 3.47Å; C383-G425 PolarHBondContact N-O 3.38Å; N423-G425 PolarHBondContact O-N 2.96Å
426	V	88.4	Confident	84.6	Confident	8 Å²	8	44.1 Å²	44.1	5%	0.048	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.5	176.5	-178	0	0	0	0	109.3	A377 A381 I385 F420 E424	A377-V426 HydrophobicContact CB-CG1 4.35Å; A381-V426 HydrophobicContact CB-CG2 3.81Å; I385-V426 HydrophobicContact CD1-CG1 3.85Å; I385-V426 HydrophobicContact CG1-CG1 4.18Å; F420-V426 HydrophobicContact CE1-CB 3.97Å; F420-V426 HydrophobicContact CE1-CG1 3.97Å; F420-V426 HydrophobicContact CE1-CG2 4.43Å; F420-V426 HydrophobicContact CZ-CB 4.27Å; F420-V426 HydrophobicContact CZ-CG1 3.84Å; E424-V426 VanDerWaalsContact C-N 3.27Å; E424-V426 PolarHBondContact O-N 3.36Å
427	I	90.6	Very high	84.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132	177.1	-58.8	-175	0	0	0	109.7	V304 L308 L321 I325 C383 I385 I429	V304-I427 HydrophobicContact CG1-CD1 3.39Å; L308-I427 HydrophobicContact CD1-CD1 3.92Å; L308-I427 HydrophobicContact CD2-CD1 3.61Å; L308-I427 HydrophobicContact CD2-CG1 4.08Å; L308-I427 HydrophobicContact CG-CD1 3.7Å; L321-I427 HydrophobicContact CD1-CD1 3.61Å; L321-I427 HydrophobicContact CD1-CG1 4.19Å; L321-I427 HydrophobicContact CD2-CD1 3.98Å; L321-I427 HydrophobicContact CD2-CG1 3.67Å; L321-I427 HydrophobicContact CG-CD1 4.16Å; L321-I427 HydrophobicContact CG-CG1 4.18Å; I325-I427 HydrophobicContact CD1-CG2 3.91Å; I325-I427 HydrophobicContact CG1-CG2 4.42Å; C383-I427 PolarHBondContact O-N 3.36Å; C383-I427 VanDerWaalsContact O-N 3.14Å; I385-I427 PolarHBondContact N-O 2.74Å; I427-I429 HydrophobicContact CG2-CG1 4.11Å
428	V	93.5	Very high	84.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.1	174.5	-172.3	0	0	0	0	109.6	K323 G324 I325 F374 I385 I387 F420 F448	K323-V428 PolarHBondContact O-N 3.07Å; G324-V428 CarbonylContact C-O 3.53Å; G324-V428 WeakPolarHBondContact CA-O 3.48Å; I325-V428 PolarHBondContact N-O 2.95Å; F374-V428 HydrophobicContact CE1-CG2 3.74Å; F374-V428 HydrophobicContact CZ-CG2 4Å; I385-V428 HydrophobicContact CD1-CG2 4.46Å; I385-V428 CarbonylContact O-C 3.49Å; I385-V428 WeakPolarHBondContact O-CA 3.43Å; I387-V428 HydrophobicContact CD1-CG1 4.22Å; F420-V428 HydrophobicContact CE2-CG2 3.96Å; F420-V428 HydrophobicContact CZ-CG2 4.32Å; V428-F448 HydrophobicContact CG1-CE1 4.02Å; V428-F448 HydrophobicContact CG1-CZ 4Å
429	I	95.4	Very high	84.4	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	116.3	174.2	-55.3	-177.9	0	0	0	108.2	I325 L327 A339 V342 V384 I385 F386 I387 I427	I325-I429 HydrophobicContact CB-CG1 4.33Å; I325-I429 HydrophobicContact CD1-CG1 4.36Å; I325-I429 CarbonylContact O-C 3.55Å; I325-I429 VanDerWaalsContact O-CA 3.28Å; I325-I429 WeakPolarHBondContact O-CA 3.41Å; L327-I429 HydrophobicContact CD1-CG2 3.79Å; L327-I429 HydrophobicContact CG-CG2 3.77Å; A339-I429 HydrophobicContact CB-CD1 4.31Å; A339-I429 HydrophobicContact CB-CG2 4.1Å; V342-I429 HydrophobicContact CB-CD1 4.5Å; V342-I429 HydrophobicContact CG1-CD1 4.35Å; V384-I429 HydrophobicContact CG1-CD1 3.71Å; V384-I429 HydrophobicContact CG1-CG1 4.04Å; I385-I429 PolarHBondContact O-N 3.2Å; F386-I429 CarbonylContact C-O 3.35Å; F386-I429 VanDerWaalsContact CA-O 3.27Å; F386-I429 WeakPolarHBondContact CA-O 3.39Å; F386-I429 HydrophobicContact CD2-CB 3.97Å; F386-I429 HydrophobicContact CD2-CG2 3.79Å; F386-I429 WeakPolarHBondContact CD2-O 3.32Å; F386-I429 HydrophobicContact CE2-CG2 4.08Å; I387-I429 PolarHBondContact N-O 3.1Å; I427-I429 HydrophobicContact CG2-CG1 4.11Å
430	G	95.3	Very high	84.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.8	173.4	0	0	0	0	0	110.6	I325 L326 L327 I387	I325-G430 PolarHBondContact O-N 3.36Å; L326-G430 CarbonylContact C-O 3.5Å; L326-G430 WeakPolarHBondContact CA-O 3.43Å; L327-G430 PolarHBondContact N-O 3.18Å; I387-G430 CarbonylContact O-C 3.54Å; I387-G430 WeakPolarHBondContact O-CA 3.45Å
431	A	95.8	Very high	85.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	138.7	170.4	0	0	0	0	0	111.1	L327 K335 F386 I387 E389 L390	L327-A431 HydrophobicContact CB-CB 4.44Å; L327-A431 WeakPolarHBondContact O-CA 3.38Å; K335-A431 HydrophobicContact CB-CB 4.1Å; K335-A431 HydrophobicContact CD-CB 4.18Å; F386-A431 HydrophobicContact CE2-CB 3.82Å; F386-A431 HydrophobicContact CZ-CB 3.61Å; I387-A431 PolarHBondContact O-N 3.11Å; E389-A431 PolarHBondContact N-O 3.03Å; L390-A431 WeakPolarHBondContact CB-O 3.23Å; L390-A431 PolarHBondContact N-O 3.41Å
432	T	94.1	Very high	86.4	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	150.1	174.5	-173.4	0	0	0	0	111.6	L326 L327 V328 G329 F434 A435 L438	L326-T432 HydrophobicContact CD1-CG2 3.95Å; L326-T432 HydrophobicContact CD2-CG2 4.34Å; L326-T432 HydrophobicContact CG-CG2 4.25Å; L327-T432 PolarHBondContact O-N 3.45Å; V328-T432 HydrophobicContact CG2-CG2 4.09Å; G329-T432 PolarHBondContact N-O 2.79Å; T432-F434 PolarHBondContact OG1-N 3.49Å; T432-F434 VanDerWaalsContact OG1-N 3.13Å; T432-A435 HydrophobicContact CG2-CB 4.39Å; T432-L438 HydrophobicContact CG2-CD1 3.82Å
433	N	93.5	Very high	87.6	Confident	50 Å²	50	35.8 Å²	35.8	27%	0.267	20%	0.195	S	C	.	.	S	Bend	trans	-86	-23.1	169.2	-59	-48.1	0	0	0	112.3	G329 K335	G329-N433 WeakPolarHBondContact O-CA 3.36Å; G329-N433 PolarHBondContact O-OD1 2.97Å; K335-N433 PolarHBondContact NZ-OD1 3.07Å
434	F	88.9	Confident	88.8	Confident	116 Å²	116	38.4 Å²	38.4	51%	0.509	20%	0.198	S	C	.	.			trans	-133.4	81.8	-171.4	-55.7	-73.7	0	0	0	110.9	T432 E436 A437	T432-F434 PolarHBondContact OG1-N 3.49Å; T432-F434 VanDerWaalsContact OG1-N 3.13Å; F434-E436 PolarHBondContact O-N 3.41Å; F434-A437 HydrophobicContact CB-CB 3.74Å; F434-A437 WeakPolarHBondContact O-CB 3.47Å; F434-A437 PolarHBondContact O-N 3.44Å
435	A	87.9	Confident	89.3	Confident	32 Å²	32	41 Å²	41	26%	0.264	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-57.5	-33.2	176.8	0	0	0	0	0	112.7	V328 T432 A437 L438	V328-A435 HydrophobicContact CB-CB 4.37Å; V328-A435 HydrophobicContact CG1-CB 3.61Å; V328-A435 HydrophobicContact CG2-CB 3.79Å; T432-A435 HydrophobicContact CG2-CB 4.39Å; A435-A437 VanDerWaalsContact C-N 3.26Å; A435-A437 PolarHBondContact O-N 3.38Å; A435-L438 WeakPolarHBondContact O-CB 3.38Å; A435-L438 PolarHBondContact O-N 3.45Å
436	E	87.1	Confident	89.4	Confident	151 Å²	151	41.5 Å²	41.5	71%	0.706	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-70	-18.3	177.2	63.9	-170.4	175.6	0	0	114.2	K396 F434 L438	K396-E436 WeakPolarHBondContact CE-O 3.3Å; K396-E436 PolarHBondContact NZ-O 3.46Å; F434-E436 PolarHBondContact O-N 3.41Å; E436-L438 VanDerWaalsContact C-N 3.35Å
437	A	85.8	Confident	89.5	Confident	40 Å²	40	42.9 Å²	42.9	33%	0.331	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-82.4	-16	175.9	0	0	0	0	0	112.4	G395 K396 F434 A435	G395-A437 CarbonylContact C-O 3.49Å; G395-A437 WeakPolarHBondContact CA-O 3.15Å; K396-A437 WeakPolarHBondContact CG-O 3.35Å; K396-A437 PolarHBondContact N-O 3.46Å; F434-A437 HydrophobicContact CB-CB 3.74Å; F434-A437 WeakPolarHBondContact O-CB 3.47Å; F434-A437 PolarHBondContact O-N 3.44Å; A435-A437 VanDerWaalsContact C-N 3.26Å; A435-A437 PolarHBondContact O-N 3.38Å
438	L	87.3	Confident	89.5	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-75.2	149.9	-177.9	-64.5	177.3	0	0	0	112.9	L326 L390 D391 G394 K396 T432 A435 E436 N440	L326-L438 HydrophobicContact CD1-CD1 3.98Å; L326-L438 HydrophobicContact CD2-CD1 3.83Å; L390-L438 HydrophobicContact CD2-CD1 4.27Å; L390-L438 HydrophobicContact CG-CD2 4.29Å; D391-L438 HydrophobicContact CB-CD2 4.2Å; G394-L438 CarbonylContact O-C 3.55Å; G394-L438 VanDerWaalsContact O-CA 3.3Å; G394-L438 WeakPolarHBondContact O-CA 3.37Å; K396-L438 WeakPolarHBondContact CE-O 3.49Å; K396-L438 WeakPolarHBondContact CG-O 3.32Å; T432-L438 HydrophobicContact CG2-CD1 3.82Å; A435-L438 WeakPolarHBondContact O-CB 3.38Å; A435-L438 PolarHBondContact O-N 3.45Å; E436-L438 VanDerWaalsContact C-N 3.35Å; L438-N440 PolarHBondContact O-N 3.16Å
439	D	86.9	Confident	89.1	Confident	16 Å²	16	46.2 Å²	46.2	9%	0.086	25%	0.248	C	C	.	.			trans	-63.1	128.5	170.6	-171.8	-15.9	0	0	0	109.5	G394 R397 A441 L442	G394-D439 PolarHBondContact O-N 3.34Å; R397-D439 IonicContact CZ-OD2 3.45Å; R397-D439 IonicContact NE-OD1 3.97Å; R397-D439 IonicContact NE-OD2 2.7Å; R397-D439 PolarHBondContact NE-OD2 3.31Å; R397-D439 IonicContact NH2-OD2 2.68Å; R397-D439 PolarHBondContact NH2-OD2 2.92Å; D439-A441 PolarHBondContact O-N 3.44Å; D439-A441 WeakPolarHBondContact OD1-CB 3.34Å; D439-A441 PolarHBondContact OD1-N 3.15Å; D439-L442 WeakPolarHBondContact O-CB 3.07Å; D439-L442 PolarHBondContact O-N 3.34Å
440	N	86.9	Confident	88.8	Confident	109 Å²	109	48.2 Å²	48.2	58%	0.583	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-21	173.5	-67.5	-16.7	0	0	0	112.6	L438 L442 R444	L438-N440 PolarHBondContact O-N 3.16Å; N440-L442 VanDerWaalsContact C-N 3.34Å; N440-R444 WeakPolarHBondContact O-CG 3.49Å
441	A	87.3	Confident	88.7	Confident	3 Å²	3	52.9 Å²	52.9	3%	0.025	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-35.8	172.8	0	0	0	0	0	113	L414 D439 R447	L414-A441 HydrophobicContact CD1-CB 3.99Å; D439-A441 PolarHBondContact O-N 3.44Å; D439-A441 WeakPolarHBondContact OD1-CB 3.34Å; D439-A441 PolarHBondContact OD1-N 3.15Å; A441-R447 WeakPolarHBondContact O-CD 3.17Å; A441-R447 PolarHBondContact O-NH1 2.94Å
442	L	87.6	Confident	88.6	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-36.9	-179.3	-74.2	164.6	0	0	0	111.9	G394 L413 L414 D439 N440 R444 R447 F448	G394-L442 VanDerWaalsContact CA-CD1 3.47Å; L413-L442 HydrophobicContact CD2-CD2 4.05Å; L414-L442 HydrophobicContact CD2-CD2 3.43Å; L414-L442 VanDerWaalsContact CD2-CD2 3.43Å; L414-L442 HydrophobicContact CD2-CG 4.03Å; L414-L442 HydrophobicContact CG-CD2 4.43Å; D439-L442 WeakPolarHBondContact O-CB 3.07Å; D439-L442 PolarHBondContact O-N 3.34Å; N440-L442 VanDerWaalsContact C-N 3.34Å; L442-R444 VanDerWaalsContact C-N 3.27Å; L442-R444 PolarHBondContact O-N 3.39Å; L442-R447 VanDerWaalsContact O-CB 3.28Å; L442-R447 WeakPolarHBondContact O-CB 3.03Å; L442-F448 HydrophobicContact CB-CD2 4.13Å; L442-F448 HydrophobicContact CD2-CD2 4.34Å; L442-F448 HydrophobicContact CD2-CE2 4.09Å; L442-F448 WeakPolarHBondContact O-CB 3.35Å; L442-F448 PolarHBondContact O-N 3.38Å; L442-F448 VanDerWaalsContact O-N 3.09Å
443	V	88.5	Confident	88.6	Confident	39 Å²	39	57.2 Å²	57.2	24%	0.236	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	5.7	-174	-168.5	0	0	0	0	112.7	L326 Q451	L326-V443 HydrophobicContact CD2-CG2 4.46Å; V443-Q451 HydrophobicContact CG1-CG 4.48Å
444	R	89.4	Confident	88.7	Confident	153 Å²	153	54.9 Å²	54.9	58%	0.577	29%	0.294	S	S	*	.	S	Bend	trans	-72.9	148.4	178.6	-85.5	169.7	-169.6	-171.7	0.5	111.7	N440 L442 G446 R447	N440-R444 WeakPolarHBondContact O-CG 3.49Å; L442-R444 VanDerWaalsContact C-N 3.27Å; L442-R444 PolarHBondContact O-N 3.39Å; R444-G446 PolarHBondContact O-N 3.15Å; R444-R447 PolarHBondContact O-N 3.42Å; R444-R447 VanDerWaalsContact O-N 3.11Å
445	P	84.3	Confident	88.9	Confident	123 Å²	123	52.4 Å²	52.4	80%	0.799	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	134.5	172.5	-26.9	34.8	0	0	0	112.1
446	G	82.3	Confident	89.1	Confident	28 Å²	28	57.1 Å²	57.1	29%	0.289	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	0	-174.3	0	0	0	0	0	115.2	K323 R444	K323-G446 WeakPolarHBondContact CD-O 3.44Å; R444-G446 PolarHBondContact O-N 3.15Å
447	R	90.4	Very high	89.4	Confident	36 Å²	36	50.3 Å²	50.3	14%	0.136	27%	0.269	C	S	.	.	S	Bend	trans	-123	-107.1	172.4	-65.9	165.1	179.2	-176.9	-2.1	109.3	G324 M417 D418 A441 L442 R444 D449	G324-R447 WeakPolarHBondContact CA-O 3.44Å; G324-R447 PolarHBondContact N-O 2.63Å; M417-R447 HydrophobicContact CB-CG 4.22Å; M417-R447 HydrophobicContact CE-CB 3.84Å; M417-R447 HydrophobicContact SD-CB 4.22Å; D418-R447 WeakPolarHBondContact OD1-CG 3.5Å; D418-R447 IonicContact OD1-CZ 2.9Å; D418-R447 IonicContact OD1-NE 2.93Å; D418-R447 PolarHBondContact OD1-NE 2.65Å; D418-R447 IonicContact OD1-NH2 3.81Å; D418-R447 IonicContact OD2-CZ 2.71Å; D418-R447 IonicContact OD2-NE 3.5Å; D418-R447 IonicContact OD2-NH2 2.85Å; D418-R447 PolarHBondContact OD2-NH2 3.39Å; A441-R447 WeakPolarHBondContact O-CD 3.17Å; A441-R447 PolarHBondContact O-NH1 2.94Å; L442-R447 VanDerWaalsContact O-CB 3.28Å; L442-R447 WeakPolarHBondContact O-CB 3.03Å; R444-R447 PolarHBondContact O-N 3.42Å; R444-R447 VanDerWaalsContact O-N 3.11Å; R447-D449 VanDerWaalsContact C-N 3.27Å; R447-D449 PolarHBondContact O-N 2.96Å; R447-D449 VanDerWaalsContact O-N 3.17Å
448	F	91.2	Very high	89.6	Confident	1 Å²	1	52.4 Å²	52.4	0%	0.004	28%	0.275	C	S	.	.	S	Bend	trans	-85.2	74.6	166.7	-67.5	-70.5	0	0	0	109.5	G324 I325 L326 L390 M417 V428 L442	G324-F448 CarbonylContact O-C 3.54Å; G324-F448 WeakPolarHBondContact O-CA 3.31Å; I325-F448 WeakPolarHBondContact O-CD1 3.15Å; L326-F448 HydrophobicContact CB-CB 4.12Å; L326-F448 HydrophobicContact CB-CD1 4.21Å; L326-F448 HydrophobicContact CB-CG 4.33Å; L390-F448 HydrophobicContact CD2-CD2 4.2Å; L390-F448 HydrophobicContact CD2-CE2 3.58Å; L390-F448 HydrophobicContact CD2-CZ 3.8Å; M417-F448 HydrophobicContact CE-CD1 4.18Å; M417-F448 HydrophobicContact CE-CD2 3.82Å; M417-F448 HydrophobicContact CE-CE1 4.07Å; M417-F448 HydrophobicContact CE-CE2 3.72Å; M417-F448 HydrophobicContact CE-CG 4.06Å; M417-F448 HydrophobicContact CE-CZ 3.85Å; M417-F448 HydrophobicContact SD-CD2 4.28Å; M417-F448 HydrophobicContact SD-CE2 3.84Å; M417-F448 HydrophobicContact SD-CZ 4.25Å; V428-F448 HydrophobicContact CG1-CE1 4.02Å; V428-F448 HydrophobicContact CG1-CZ 4Å; L442-F448 HydrophobicContact CB-CD2 4.13Å; L442-F448 HydrophobicContact CD2-CD2 4.34Å; L442-F448 HydrophobicContact CD2-CE2 4.09Å; L442-F448 WeakPolarHBondContact O-CB 3.35Å; L442-F448 PolarHBondContact O-N 3.38Å; L442-F448 VanDerWaalsContact O-N 3.09Å
449	D	84.6	Confident	89.8	Confident	69 Å²	69	53.5 Å²	53.5	37%	0.369	28%	0.282	S	S	.	.			trans	-80.1	-29.7	-176	52.2	-20.6	0	0	0	113.1	P322 K323 G324 R447	P322-D449 WeakPolarHBondContact CA-OD2 3.46Å; P322-D449 WeakPolarHBondContact CB-OD1 3.47Å; K323-D449 PolarHBondContact N-OD1 3.46Å; G324-D449 PolarHBondContact N-OD1 3.29Å; G324-D449 PolarHBondContact O-N 2.93Å; R447-D449 VanDerWaalsContact C-N 3.27Å; R447-D449 PolarHBondContact O-N 2.96Å; R447-D449 VanDerWaalsContact O-N 3.17Å
450	M	90.1	Very high	90	Very high	43 Å²	43	60.1 Å²	60.1	21%	0.212	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.6	173.9	-174.1	171.7	-179.6	0	0	110.5	E300 V304 P322 G324 I325 L326 V452	E300-M450 HydrophobicContact CB-CE 3.72Å; E300-M450 WeakPolarHBondContact O-CE 3.46Å; V304-M450 HydrophobicContact CG2-SD 4.21Å; P322-M450 HydrophobicContact CB-CB 4.26Å; P322-M450 HydrophobicContact CG-SD 4.46Å; G324-M450 PolarHBondContact O-N 2.69Å; I325-M450 CarbonylContact C-O 3.52Å; I325-M450 WeakPolarHBondContact CA-O 3.46Å; I325-M450 HydrophobicContact CD1-SD 4.5Å; I325-M450 HydrophobicContact CG1-CB 4.17Å; I325-M450 HydrophobicContact CG1-CG 4.5Å; I325-M450 HydrophobicContact CG1-SD 4.18Å; I325-M450 HydrophobicContact CG2-CG 4.38Å; L326-M450 PolarHBondContact N-O 2.98Å; M450-V452 HydrophobicContact CE-CG2 3.75Å; M450-V452 HydrophobicContact CG-CG2 4.14Å
451	Q	92.3	Very high	90.3	Very high	98 Å²	98	55.2 Å²	55.2	46%	0.458	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.2	174.9	-70.2	177.6	57.8	0	0	109.2	L326 V443	L326-Q451 HydrophobicContact CB-CG 4.21Å; L326-Q451 HydrophobicContact CD2-CG 4.31Å; L326-Q451 WeakPolarHBondContact O-CA 3.4Å; V443-Q451 HydrophobicContact CG1-CG 4.48Å
452	V	94.7	Very high	90.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.5	178.7	-174.7	0	0	0	0	107.8	A297 E300 L301 I325 L326 L327 V328 M450	A297-V452 HydrophobicContact CB-CG1 3.58Å; E300-V452 HydrophobicContact CB-CG2 4.44Å; E300-V452 WeakPolarHBondContact OE2-CG2 3.27Å; L301-V452 HydrophobicContact CD2-CG2 4.19Å; I325-V452 HydrophobicContact CG2-CG2 3.79Å; L326-V452 PolarHBondContact O-N 3.23Å; L327-V452 WeakPolarHBondContact CA-O 3.39Å; L327-V452 HydrophobicContact CD2-CB 3.84Å; L327-V452 HydrophobicContact CD2-CG1 4.34Å; L327-V452 HydrophobicContact CD2-CG2 4.38Å; V328-V452 PolarHBondContact N-O 3.28Å; M450-V452 HydrophobicContact CE-CG2 3.75Å; M450-V452 HydrophobicContact CG-CG2 4.14Å
453	T	94.3	Very high	91	Very high	93 Å²	93	58.4 Å²	58.4	57%	0.571	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	127	177.5	-57.8	0	0	0	0	109.7	V328 P455	V328-T453 CarbonylContact O-C 3.48Å; V328-T453 WeakPolarHBondContact O-CA 3.29Å; T453-P455 VanDerWaalsContact O-CD 3.25Å; T453-P455 WeakPolarHBondContact O-CD 3.49Å
454	V	95.2	Very high	91.3	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.006	30%	0.299	C	S	.	.			trans	-108.8	89	176.4	-175.1	0	0	0	0	107.9	V294 A297 V328 G329 T333 K335 L338	V294-V454 HydrophobicContact CG1-CG1 4.04Å; V294-V454 HydrophobicContact CG2-CG1 4.33Å; A297-V454 HydrophobicContact CB-CG2 4.32Å; V328-V454 PolarHBondContact O-N 3.03Å; G329-V454 WeakPolarHBondContact CA-O 3.4Å; T333-V454 WeakPolarHBondContact OG1-CG1 3.01Å; K335-V454 HydrophobicContact CG-CB 4.25Å; K335-V454 HydrophobicContact CG-CG1 4.46Å; K335-V454 HydrophobicContact CG-CG2 4.3Å; L338-V454 HydrophobicContact CD2-CG2 3.97Å
455	P	92.8	Very high	91.5	Very high	64 Å²	64	52.6 Å²	52.6	42%	0.416	28%	0.275	S	S	.	.			trans	-70.9	175.9	-178.2	31.7	-36.4	0	0	0	111.9	T333 T453	T333-P455 WeakPolarHBondContact CG2-O 3.19Å; T453-P455 VanDerWaalsContact O-CD 3.25Å; T453-P455 WeakPolarHBondContact O-CD 3.49Å
456	R	92.4	Very high	92.1	Very high	130 Å²	130	46.8 Å²	46.8	49%	0.491	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-66.8	147.3	164.5	-64.4	-173.3	177.8	-173.3	3.6	109	P330 T333 G490	P330-R456 HydrophobicContact CG-CG 3.6Å; T333-R456 HydrophobicContact CG2-CG 4.43Å; R456-G490 VanDerWaalsContact CD-O 3.29Å; R456-G490 WeakPolarHBondContact CD-O 2.71Å; R456-G490 PolarHBondContact NH1-O 3.24Å
457	P	92.6	Very high	92.7	Very high	8 Å²	8	49.2 Å²	49.2	5%	0.052	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-68.8	138.8	-178.9	27.6	-35.6	0	0	0	112.7	R462 I465 F491	P457-R462 HydrophobicContact CB-CG 3.91Å; P457-R462 HydrophobicContact CG-CG 3.74Å; P457-R462 PolarHBondContact O-NH1 3.46Å; P457-I465 HydrophobicContact CB-CD1 3.81Å; P457-I465 HydrophobicContact CG-CD1 3.9Å; P457-F491 WeakPolarHBondContact CD-O 3.47Å; P457-F491 WeakPolarHBondContact CG-O 3.22Å
458	D	90.9	Very high	92.8	Very high	84 Å²	84	50.9 Å²	50.9	45%	0.449	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-70.7	171	169.7	-61.6	-28.2	0	0	0	111.7	K460 G461 R462	D458-K460 PolarHBondContact O-N 2.96Å; D458-K460 VanDerWaalsContact O-N 3.13Å; D458-G461 CarbonylContact O-C 3.54Å; D458-G461 WeakPolarHBondContact O-CA 3.25Å; D458-G461 PolarHBondContact O-N 3.27Å; D458-R462 WeakPolarHBondContact O-CG 3.45Å; D458-R462 PolarHBondContact O-N 3.46Å
459	V	90.9	Very high	93	Very high	26 Å²	26	52.6 Å²	52.6	16%	0.158	26%	0.257	C	S	.	.	H	α-helix	trans	-45.9	-47.5	177.4	-169.9	0	0	0	0	112.7	R462 K463 A485 R486 D588	V459-R462 PolarHBondContact O-N 3.32Å; V459-K463 WeakPolarHBondContact O-CB 3.46Å; V459-K463 PolarHBondContact O-N 2.81Å; V459-A485 HydrophobicContact CG1-CB 4.25Å; V459-R486 HydrophobicContact CG1-CG 4.23Å; V459-D588 HydrophobicContact CG2-CB 3.83Å; V459-D588 WeakPolarHBondContact CG2-OD1 3.38Å; V459-D588 WeakPolarHBondContact CG2-OD2 3.47Å; V459-D588 PolarHBondContact N-OD2 2.82Å; V459-D588 VanDerWaalsContact N-OD2 3.13Å
460	K	91.7	Very high	93.5	Very high	154 Å²	154	49.9 Å²	49.9	67%	0.67	24%	0.242	S	C	*	.	H	α-helix	trans	-63.9	-45.5	178.8	-174.1	-176.1	173.6	-167.8	0	111.4	D458 R462 K463 E464	D458-K460 PolarHBondContact O-N 2.96Å; D458-K460 VanDerWaalsContact O-N 3.13Å; K460-R462 PolarHBondContact O-N 3.41Å; K460-K463 WeakPolarHBondContact O-CB 3.47Å; K460-K463 PolarHBondContact O-N 2.92Å; K460-E464 VanDerWaalsContact CE-OE1 3.31Å; K460-E464 WeakPolarHBondContact CE-OE1 3.35Å; K460-E464 WeakPolarHBondContact O-CG 3.38Å; K460-E464 PolarHBondContact O-N 3.45Å
461	G	93.1	Very high	93.6	Very high	6 Å²	6	51.9 Å²	51.9	6%	0.062	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-42.1	176.4	0	0	0	0	0	112.4	G293 D458 K463 E464 I465	G293-G461 VanDerWaalsContact CA-CA 3.41Å; D458-G461 CarbonylContact O-C 3.54Å; D458-G461 WeakPolarHBondContact O-CA 3.25Å; D458-G461 PolarHBondContact O-N 3.27Å; G461-K463 PolarHBondContact O-N 3.08Å; G461-E464 PolarHBondContact O-N 3.47Å; G461-I465 WeakPolarHBondContact O-CB 3.34Å; G461-I465 WeakPolarHBondContact O-CD1 3.34Å; G461-I465 WeakPolarHBondContact O-CG1 3.46Å; G461-I465 PolarHBondContact O-N 2.86Å
462	R	94.6	Very high	93.6	Very high	3 Å²	3	53 Å²	53	1%	0.011	26%	0.264	C	S	.	.	H	α-helix	trans	-62.1	-42.6	174.9	-64.1	-164.1	-63.5	-88.5	7	111.6	P457 D458 V459 K460 I465 L466 A485 T488 L496 D588	P457-R462 HydrophobicContact CB-CG 3.91Å; P457-R462 HydrophobicContact CG-CG 3.74Å; P457-R462 PolarHBondContact O-NH1 3.46Å; D458-R462 WeakPolarHBondContact O-CG 3.45Å; D458-R462 PolarHBondContact O-N 3.46Å; V459-R462 PolarHBondContact O-N 3.32Å; K460-R462 PolarHBondContact O-N 3.41Å; R462-I465 PolarHBondContact O-N 3.38Å; R462-L466 VanDerWaalsContact O-CB 3.31Å; R462-L466 WeakPolarHBondContact O-CB 3.44Å; R462-L466 VanDerWaalsContact O-CG 3.26Å; R462-L466 WeakPolarHBondContact O-CG 3.3Å; R462-L466 PolarHBondContact O-N 2.96Å; R462-A485 HydrophobicContact CB-CB 4.02Å; R462-A485 PolarHBondContact NE-O 2.91Å; R462-A485 PolarHBondContact NH2-O 2.87Å; R462-T488 VanDerWaalsContact CD-O 3.23Å; R462-T488 WeakPolarHBondContact CD-O 3.44Å; R462-T488 PolarHBondContact NE-O 3.23Å; R462-L496 HydrophobicContact CB-CD1 3.89Å; R462-L496 HydrophobicContact CG-CD1 3.85Å; R462-D588 IonicContact CZ-OD1 3.77Å; R462-D588 IonicContact CZ-OD2 2.76Å; R462-D588 IonicContact NH1-OD1 3.72Å; R462-D588 IonicContact NH1-OD2 3.82Å; R462-D588 PolarHBondContact NH1-OD2 2.78Å; R462-D588 VanDerWaalsContact NH2-CG 3.32Å; R462-D588 IonicContact NH2-OD1 3.39Å; R462-D588 PolarHBondContact NH2-OD1 2.95Å; R462-D588 IonicContact NH2-OD2 2.7Å; R462-D588 PolarHBondContact NH2-OD2 2.98Å
463	K	94.4	Very high	93.6	Very high	68 Å²	68	55.5 Å²	55.5	30%	0.296	28%	0.277	S	S	.	.	H	α-helix	trans	-59.5	-45.5	174.7	-177.1	176.6	-176.9	170	0	111.7	V459 K460 G461 L466 N467 E482 A485	V459-K463 WeakPolarHBondContact O-CB 3.46Å; V459-K463 PolarHBondContact O-N 2.81Å; K460-K463 WeakPolarHBondContact O-CB 3.47Å; K460-K463 PolarHBondContact O-N 2.92Å; G461-K463 PolarHBondContact O-N 3.08Å; K463-L466 PolarHBondContact O-N 3.19Å; K463-N467 WeakPolarHBondContact O-CB 3.46Å; K463-N467 PolarHBondContact O-N 2.97Å; K463-N467 PolarHBondContact O-ND2 3.28Å; K463-E482 HydrophobicContact CD-CB 4.39Å; K463-E482 IonicContact NZ-OE2 3.26Å; K463-E482 PolarHBondContact NZ-OE2 3.25Å; K463-A485 HydrophobicContact CB-CB 4.22Å
464	E	94.6	Very high	93.6	Very high	55 Å²	55	59 Å²	59	26%	0.257	28%	0.284	S	S	.	.	H	α-helix	trans	-65.1	-42.9	177.6	-70	174.7	-170.7	0	0	112.6	K292 G293 K460 G461 N467 W468	K292-E464 HydrophobicContact CB-CB 4.04Å; G293-E464 PolarHBondContact N-OE2 3Å; K460-E464 VanDerWaalsContact CE-OE1 3.31Å; K460-E464 WeakPolarHBondContact CE-OE1 3.35Å; K460-E464 WeakPolarHBondContact O-CG 3.38Å; K460-E464 PolarHBondContact O-N 3.45Å; G461-E464 PolarHBondContact O-N 3.47Å; E464-N467 PolarHBondContact O-N 2.98Å; E464-W468 WeakPolarHBondContact O-CB 3.42Å; E464-W468 PolarHBondContact O-N 2.93Å
465	I	95.2	Very high	93.5	Very high	14 Å²	14	61 Å²	61	7%	0.072	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-46.4	176.2	-67.9	164.3	0	0	0	110.5	K292 P457 G461 R462 W468 Y469 L496	K292-I465 HydrophobicContact CB-CG1 3.82Å; K292-I465 WeakPolarHBondContact O-CG1 3.24Å; P457-I465 HydrophobicContact CB-CD1 3.81Å; P457-I465 HydrophobicContact CG-CD1 3.9Å; G461-I465 WeakPolarHBondContact O-CB 3.34Å; G461-I465 WeakPolarHBondContact O-CD1 3.34Å; G461-I465 WeakPolarHBondContact O-CG1 3.46Å; G461-I465 PolarHBondContact O-N 2.86Å; R462-I465 PolarHBondContact O-N 3.38Å; I465-W468 WeakPolarHBondContact O-CB 3.29Å; I465-W468 PolarHBondContact O-N 3.44Å; I465-Y469 HydrophobicContact CG2-CD2 3.73Å; I465-Y469 HydrophobicContact CG2-CE2 3.65Å; I465-Y469 VanDerWaalsContact O-CD2 3.22Å; I465-Y469 WeakPolarHBondContact O-CD2 3.43Å; I465-Y469 PolarHBondContact O-N 3.43Å; I465-Y469 VanDerWaalsContact O-N 3.08Å; I465-L496 HydrophobicContact CB-CD1 4.05Å; I465-L496 HydrophobicContact CD1-CD1 4.27Å; I465-L496 HydrophobicContact CG2-CB 4.02Å; I465-L496 HydrophobicContact CG2-CD1 3.83Å
466	L	95.5	Very high	93.6	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-60.3	-49.1	177	-77	168.4	0	0	0	110.8	R462 K463 W468 Y469 L470 A481 I484 A485 L496 L499 V500	R462-L466 VanDerWaalsContact O-CB 3.31Å; R462-L466 WeakPolarHBondContact O-CB 3.44Å; R462-L466 VanDerWaalsContact O-CG 3.26Å; R462-L466 WeakPolarHBondContact O-CG 3.3Å; R462-L466 PolarHBondContact O-N 2.96Å; K463-L466 PolarHBondContact O-N 3.19Å; L466-W468 VanDerWaalsContact C-N 3.26Å; L466-W468 PolarHBondContact O-N 2.9Å; L466-Y469 PolarHBondContact O-N 2.99Å; L466-Y469 VanDerWaalsContact O-N 3.13Å; L466-L470 HydrophobicContact CB-CD1 4.47Å; L466-L470 VanDerWaalsContact O-CB 3.31Å; L466-L470 WeakPolarHBondContact O-CB 3.49Å; L466-L470 WeakPolarHBondContact O-CG 3.25Å; L466-L470 PolarHBondContact O-N 3.39Å; L466-A481 HydrophobicContact CB-CB 4.27Å; L466-I484 HydrophobicContact CD1-CB 4.1Å; L466-I484 HydrophobicContact CD1-CG2 3.85Å; L466-I484 HydrophobicContact CD2-CG2 4.4Å; L466-A485 HydrophobicContact CD1-CB 4.08Å; L466-L496 HydrophobicContact CD1-CD2 4.35Å; L466-L496 HydrophobicContact CD2-CB 4.31Å; L466-L496 HydrophobicContact CD2-CD2 4.07Å; L466-L496 HydrophobicContact CG-CD2 4.16Å; L466-L499 HydrophobicContact CD2-CD2 4.5Å; L466-V500 HydrophobicContact CD2-CG2 3.89Å
467	N	94.8	Very high	93.4	Very high	79 Å²	79	60.2 Å²	60.2	42%	0.422	31%	0.305	S	S	.	.	H	α-helix	trans	-57.7	-39.8	177.9	-75.3	-19.8	0	0	0	112.4	K463 E464 S471 A481	K463-N467 WeakPolarHBondContact O-CB 3.46Å; K463-N467 PolarHBondContact O-N 2.97Å; K463-N467 PolarHBondContact O-ND2 3.28Å; E464-N467 PolarHBondContact O-N 2.98Å; N467-S471 WeakPolarHBondContact O-CB 3.38Å; N467-S471 PolarHBondContact O-N 3.35Å; N467-A481 VanDerWaalsContact OD1-CB 3.26Å; N467-A481 WeakPolarHBondContact OD1-CB 3.44Å
468	W	94	Very high	93.2	Very high	71 Å²	71	63.8 Å²	63.8	27%	0.269	34%	0.335	S	S	.	.	H	α-helix	trans	-64.7	-39.1	176.5	175.7	-110.8	0	0	0	113.5	H290 K292 E464 I465 L466 S471	H290-W468 HydrophobicContact CB-CZ2 4.33Å; H290-W468 AromaticContact CD2-CH2 3.34Å; H290-W468 WeakPolarHBondContact CD2-CH2 3.45Å; H290-W468 AromaticContact CD2-CZ2 3.38Å; H290-W468 WeakPolarHBondContact CD2-CZ2 3.47Å; H290-W468 AromaticContact NE2-CH2 3.96Å; K292-W468 HydrophobicContact CG-CB 4.2Å; K292-W468 HydrophobicContact CG-CG 4.45Å; E464-W468 WeakPolarHBondContact O-CB 3.42Å; E464-W468 PolarHBondContact O-N 2.93Å; I465-W468 WeakPolarHBondContact O-CB 3.29Å; I465-W468 PolarHBondContact O-N 3.44Å; L466-W468 VanDerWaalsContact C-N 3.26Å; L466-W468 PolarHBondContact O-N 2.9Å; W468-S471 PolarHBondContact O-OG 3.06Å
469	Y	94.4	Very high	93.2	Very high	36 Å²	36	61.1 Å²	61.1	14%	0.141	32%	0.32	C	S	.	.	H	α-helix	trans	-79.3	-34.8	176.9	-74.3	-64.4	0	0	0	112.4	I465 L466 S471 K472 E497	I465-Y469 HydrophobicContact CG2-CD2 3.73Å; I465-Y469 HydrophobicContact CG2-CE2 3.65Å; I465-Y469 VanDerWaalsContact O-CD2 3.22Å; I465-Y469 WeakPolarHBondContact O-CD2 3.43Å; I465-Y469 PolarHBondContact O-N 3.43Å; I465-Y469 VanDerWaalsContact O-N 3.08Å; L466-Y469 PolarHBondContact O-N 2.99Å; L466-Y469 VanDerWaalsContact O-N 3.13Å; Y469-S471 VanDerWaalsContact C-N 3.29Å; Y469-S471 PolarHBondContact O-N 3.01Å; Y469-K472 HydrophobicContact CD1-CD 4.24Å; Y469-K472 WeakPolarHBondContact O-CB 3.35Å; Y469-K472 PolarHBondContact O-N 3.23Å; Y469-K472 VanDerWaalsContact O-N 3.15Å; Y469-E497 HydrophobicContact CD1-CB 4.35Å; Y469-E497 HydrophobicContact CD1-CG 3.93Å; Y469-E497 HydrophobicContact CD2-CB 4.09Å; Y469-E497 HydrophobicContact CE1-CB 4Å; Y469-E497 VanDerWaalsContact CE1-CD 3.47Å; Y469-E497 HydrophobicContact CE1-CG 3.55Å; Y469-E497 WeakPolarHBondContact CE1-OE1 3.47Å; Y469-E497 HydrophobicContact CE2-CB 3.68Å; Y469-E497 HydrophobicContact CE2-CG 4.2Å; Y469-E497 HydrophobicContact CG-CB 4.42Å; Y469-E497 HydrophobicContact CG-CG 4.43Å; Y469-E497 PolarHBondContact OH-OE2 3.23Å
470	L	94.4	Very high	93.1	Very high	12 Å²	12	63.1 Å²	63.1	6%	0.063	33%	0.33	C	S	.	.	H	α-helix	trans	-63.4	-34.9	174.1	-69.7	170.7	0	0	0	111.4	L466 K472 I473 V475 I479 A481 V500 L520	L466-L470 HydrophobicContact CB-CD1 4.47Å; L466-L470 VanDerWaalsContact O-CB 3.31Å; L466-L470 WeakPolarHBondContact O-CB 3.49Å; L466-L470 WeakPolarHBondContact O-CG 3.25Å; L466-L470 PolarHBondContact O-N 3.39Å; L470-K472 PolarHBondContact O-N 3.24Å; L470-K472 VanDerWaalsContact O-N 3.17Å; L470-I473 HydrophobicContact CD2-CD1 4.22Å; L470-I473 WeakPolarHBondContact O-CG1 3.45Å; L470-I473 PolarHBondContact O-N 3.39Å; L470-I473 VanDerWaalsContact O-N 3.15Å; L470-V475 HydrophobicContact CB-CG1 4.31Å; L470-V475 HydrophobicContact CD2-CG1 3.71Å; L470-I479 HydrophobicContact CD1-CG2 4.44Å; L470-A481 HydrophobicContact CD1-CB 4.1Å; L470-V500 HydrophobicContact CD2-CG1 4.21Å; L470-V500 HydrophobicContact CD2-CG2 4.21Å; L470-V500 HydrophobicContact CG-CG2 4.4Å; L470-L520 HydrophobicContact CD2-CD1 4.2Å; L470-L520 HydrophobicContact CD2-CD2 4.13Å
471	S	92.9	Very high	93.1	Very high	85 Å²	85	56 Å²	56	59%	0.594	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.8	176.3	70.7	0	0	0	0	114.1	N467 W468 Y469	N467-S471 WeakPolarHBondContact O-CB 3.38Å; N467-S471 PolarHBondContact O-N 3.35Å; W468-S471 PolarHBondContact O-OG 3.06Å; Y469-S471 VanDerWaalsContact C-N 3.29Å; Y469-S471 PolarHBondContact O-N 3.01Å
472	K	92.8	Very high	93	Very high	122 Å²	122	58.2 Å²	58.2	53%	0.53	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-10.5	176.5	-62.9	176.9	-177.3	174.4	0	113	Y469 L470	Y469-K472 HydrophobicContact CD1-CD 4.24Å; Y469-K472 WeakPolarHBondContact O-CB 3.35Å; Y469-K472 PolarHBondContact O-N 3.23Å; Y469-K472 VanDerWaalsContact O-N 3.15Å; L470-K472 PolarHBondContact O-N 3.24Å; L470-K472 VanDerWaalsContact O-N 3.17Å
473	I	93.9	Very high	92.7	Very high	53 Å²	53	61.1 Å²	61.1	27%	0.272	32%	0.324	S	S	.	.	S	Bend	trans	-124.6	165.1	-177.6	57.9	153.8	0	0	0	111.1	L470 V475 V500 A504 V515	L470-I473 HydrophobicContact CD2-CD1 4.22Å; L470-I473 WeakPolarHBondContact O-CG1 3.45Å; L470-I473 PolarHBondContact O-N 3.39Å; L470-I473 VanDerWaalsContact O-N 3.15Å; I473-V475 HydrophobicContact CD1-CG1 3.6Å; I473-V475 HydrophobicContact CG1-CG1 3.72Å; I473-V475 PolarHBondContact O-N 3.29Å; I473-V500 HydrophobicContact CD1-CG1 3.52Å; I473-V500 HydrophobicContact CG1-CG1 4.02Å; I473-A504 HydrophobicContact CD1-CB 4.38Å; I473-V515 HydrophobicContact CD1-CB 4.34Å; I473-V515 HydrophobicContact CD1-CG2 3.9Å
474	K	93.7	Very high	92.6	Very high	165 Å²	165	58 Å²	58	72%	0.717	31%	0.311	S	S	*	.			trans	-81.9	114.3	174.7	-66.4	-176	179.1	-177.8	0	109.7	M514 V515	K474-M514 HydrophobicContact CB-CG 4.5Å; K474-V515 PolarHBondContact O-N 3.17Å
475	V	94.3	Very high	92.5	Very high	44 Å²	44	55.4 Å²	55.4	27%	0.267	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-124.8	149.4	-175.6	-70.2	0	0	0	0	110.5	L470 I473 I479 V515	L470-V475 HydrophobicContact CB-CG1 4.31Å; L470-V475 HydrophobicContact CD2-CG1 3.71Å; I473-V475 HydrophobicContact CD1-CG1 3.6Å; I473-V475 HydrophobicContact CG1-CG1 3.72Å; I473-V475 PolarHBondContact O-N 3.29Å; V475-I479 HydrophobicContact CB-CD1 4.03Å; V475-I479 HydrophobicContact CG1-CD1 4.41Å; V475-V515 HydrophobicContact CG1-CB 4.16Å
476	D	93.7	Very high	92.2	Very high	53 Å²	53	58.1 Å²	58.1	28%	0.283	31%	0.308	S	S	.	.			trans	-66.2	127.5	169.6	-173.7	-22	0	0	0	110	A478 I479 V515	D476-A478 PolarHBondContact O-N 3.15Å; D476-A478 VanDerWaalsContact O-N 3.09Å; D476-A478 WeakPolarHBondContact OD1-CB 3.32Å; D476-A478 PolarHBondContact OD1-N 3.34Å; D476-I479 HydrophobicContact CB-CD1 4.19Å; D476-I479 HydrophobicContact CB-CG1 4.28Å; D476-I479 WeakPolarHBondContact O-CB 3.23Å; D476-I479 WeakPolarHBondContact O-CG1 3.34Å; D476-I479 PolarHBondContact O-N 3.22Å; D476-I479 VanDerWaalsContact O-N 3.07Å; D476-V515 PolarHBondContact N-O 3.48Å
477	P	88.8	Confident	91.9	Very high	124 Å²	124	58.8 Å²	58.8	81%	0.805	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-14.1	177.6	23.5	-33.1	0	0	0	114.3	I479	P477-I479 PolarHBondContact O-N 3.47Å
478	A	88.8	Confident	91.7	Very high	83 Å²	83	55 Å²	55	69%	0.686	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-5.8	173.7	0	0	0	0	0	114.3	D476 D480	D476-A478 PolarHBondContact O-N 3.15Å; D476-A478 VanDerWaalsContact O-N 3.09Å; D476-A478 WeakPolarHBondContact OD1-CB 3.32Å; D476-A478 PolarHBondContact OD1-N 3.34Å; A478-D480 PolarHBondContact O-N 3.02Å
479	I	90.1	Very high	91.4	Very high	28 Å²	28	55.5 Å²	55.5	14%	0.144	31%	0.306	C	S	.	.			trans	-71.2	123.4	-179	-71.3	167.7	0	0	0	110.9	L470 V475 D476 P477 V515 M517 L520	L470-I479 HydrophobicContact CD1-CG2 4.44Å; V475-I479 HydrophobicContact CB-CD1 4.03Å; V475-I479 HydrophobicContact CG1-CD1 4.41Å; D476-I479 HydrophobicContact CB-CD1 4.19Å; D476-I479 HydrophobicContact CB-CG1 4.28Å; D476-I479 WeakPolarHBondContact O-CB 3.23Å; D476-I479 WeakPolarHBondContact O-CG1 3.34Å; D476-I479 PolarHBondContact O-N 3.22Å; D476-I479 VanDerWaalsContact O-N 3.07Å; P477-I479 PolarHBondContact O-N 3.47Å; I479-V515 WeakPolarHBondContact CD1-O 3.45Å; I479-M517 HydrophobicContact CG1-CB 4.39Å; I479-M517 HydrophobicContact CG2-SD 4.48Å; I479-L520 HydrophobicContact CD1-CD1 3.99Å; I479-L520 HydrophobicContact CG1-CD1 4.4Å; I479-L520 HydrophobicContact CG2-CD1 3.6Å
480	D	89.3	Confident	91.1	Very high	68 Å²	68	54.9 Å²	54.9	36%	0.364	31%	0.31	S	S	.	.			trans	-98.7	106.8	167.3	-174.1	4.3	0	0	0	110.8	A478 E482 I483	A478-D480 PolarHBondContact O-N 3.02Å; D480-E482 PolarHBondContact O-N 3.17Å; D480-E482 WeakPolarHBondContact OD1-CB 3.5Å; D480-E482 PolarHBondContact OD1-N 3.37Å; D480-I483 HydrophobicContact CB-CD1 4.18Å; D480-I483 HydrophobicContact CB-CG1 4.36Å; D480-I483 PolarHBondContact O-N 3.05Å
481	A	91.8	Very high	91	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.033	31%	0.31	C	S	.	.	H	α-helix	trans	-64	-18.6	177.2	0	0	0	0	0	113.2	L466 N467 L470 I484 A485	L466-A481 HydrophobicContact CB-CB 4.27Å; N467-A481 VanDerWaalsContact OD1-CB 3.26Å; N467-A481 WeakPolarHBondContact OD1-CB 3.44Å; L470-A481 HydrophobicContact CD1-CB 4.1Å; A481-I484 PolarHBondContact O-N 2.99Å; A481-A485 WeakPolarHBondContact O-CB 3.34Å; A481-A485 PolarHBondContact O-N 2.91Å
482	E	91.1	Very high	91.1	Very high	54 Å²	54	51.2 Å²	51.2	25%	0.252	28%	0.284	S	S	.	.	H	α-helix	trans	-66.2	-38.8	179.6	-168.8	166.5	143.9	0	0	112.4	K463 D480 I484 A485 R486	K463-E482 HydrophobicContact CD-CB 4.39Å; K463-E482 IonicContact NZ-OE2 3.26Å; K463-E482 PolarHBondContact NZ-OE2 3.25Å; D480-E482 PolarHBondContact O-N 3.17Å; D480-E482 WeakPolarHBondContact OD1-CB 3.5Å; D480-E482 PolarHBondContact OD1-N 3.37Å; E482-I484 VanDerWaalsContact C-N 3.35Å; E482-I484 PolarHBondContact O-N 3.09Å; E482-A485 PolarHBondContact O-N 3.48Å; E482-R486 WeakPolarHBondContact O-CG 3.27Å; E482-R486 PolarHBondContact O-N 3.34Å; E482-R486 IonicContact OE1-CZ 2.84Å; E482-R486 VanDerWaalsContact OE1-CZ 3.26Å; E482-R486 IonicContact OE1-NH1 3.25Å; E482-R486 PolarHBondContact OE1-NH1 2.75Å; E482-R486 IonicContact OE1-NH2 2.69Å; E482-R486 PolarHBondContact OE1-NH2 2.77Å
483	I	89.4	Confident	91.2	Very high	63 Å²	63	46 Å²	46	32%	0.323	27%	0.265	S	S	.	.	H	α-helix	trans	-63.5	-43.5	177.9	-60.3	173	0	0	0	110.2	D480 G487 M517	D480-I483 HydrophobicContact CB-CD1 4.18Å; D480-I483 HydrophobicContact CB-CG1 4.36Å; D480-I483 PolarHBondContact O-N 3.05Å; I483-G487 PolarHBondContact O-N 3.03Å; I483-M517 HydrophobicContact CB-CE 3.62Å; I483-M517 HydrophobicContact CD1-CE 4.26Å; I483-M517 HydrophobicContact CG2-CE 3.48Å; I483-M517 VanDerWaalsContact CG2-CE 3.48Å
484	I	91.9	Very high	91.2	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.015	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-43.2	176.2	-58.1	-58.4	0	0	0	110.7	L466 A481 E482 R486 G487 T488 L499 M517 L520 E521	L466-I484 HydrophobicContact CD1-CB 4.1Å; L466-I484 HydrophobicContact CD1-CG2 3.85Å; L466-I484 HydrophobicContact CD2-CG2 4.4Å; A481-I484 PolarHBondContact O-N 2.99Å; E482-I484 VanDerWaalsContact C-N 3.35Å; E482-I484 PolarHBondContact O-N 3.09Å; I484-R486 VanDerWaalsContact C-N 3.31Å; I484-R486 PolarHBondContact O-N 3.35Å; I484-G487 CarbonylContact O-C 3.58Å; I484-G487 WeakPolarHBondContact O-CA 3.37Å; I484-G487 PolarHBondContact O-N 3.33Å; I484-T488 HydrophobicContact CG2-CG2 4Å; I484-T488 WeakPolarHBondContact O-CG2 3.38Å; I484-T488 PolarHBondContact O-N 3.24Å; I484-T488 PolarHBondContact O-OG1 3.42Å; I484-T488 VanDerWaalsContact O-OG1 3.14Å; I484-L499 HydrophobicContact CG2-CD1 4.11Å; I484-L499 HydrophobicContact CG2-CD2 4.15Å; I484-M517 HydrophobicContact CD1-CE 3.44Å; I484-M517 VanDerWaalsContact CD1-CE 3.44Å; I484-M517 HydrophobicContact CD1-SD 3.93Å; I484-M517 HydrophobicContact CG1-CE 3.76Å; I484-M517 HydrophobicContact CG1-SD 3.98Å; I484-L520 HydrophobicContact CD1-CB 3.89Å; I484-L520 HydrophobicContact CG1-CB 4.1Å; I484-L520 HydrophobicContact CG1-CD1 4.36Å; I484-E521 HydrophobicContact CD1-CG 4.03Å
485	A	92.2	Very high	91.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.6	-38.9	179.4	0	0	0	0	0	112.8	V459 R462 K463 L466 A481 E482 G487 T488	V459-A485 HydrophobicContact CG1-CB 4.25Å; R462-A485 HydrophobicContact CB-CB 4.02Å; R462-A485 PolarHBondContact NE-O 2.91Å; R462-A485 PolarHBondContact NH2-O 2.87Å; K463-A485 HydrophobicContact CB-CB 4.22Å; L466-A485 HydrophobicContact CD1-CB 4.08Å; A481-A485 WeakPolarHBondContact O-CB 3.34Å; A481-A485 PolarHBondContact O-N 2.91Å; E482-A485 PolarHBondContact O-N 3.48Å; A485-G487 VanDerWaalsContact C-N 3.32Å; A485-T488 PolarHBondContact O-OG1 3.2Å
486	R	89.3	Confident	91.3	Very high	71 Å²	71	39.4 Å²	39.4	27%	0.268	24%	0.241	S	C	.	.	H	α-helix	trans	-66	-33.8	172.1	-73.7	-178.8	174.3	128	11.2	112.3	V459 E482 I484 V489 L584 E586	V459-R486 HydrophobicContact CG1-CG 4.23Å; E482-R486 WeakPolarHBondContact O-CG 3.27Å; E482-R486 PolarHBondContact O-N 3.34Å; E482-R486 IonicContact OE1-CZ 2.84Å; E482-R486 VanDerWaalsContact OE1-CZ 3.26Å; E482-R486 IonicContact OE1-NH1 3.25Å; E482-R486 PolarHBondContact OE1-NH1 2.75Å; E482-R486 IonicContact OE1-NH2 2.69Å; E482-R486 PolarHBondContact OE1-NH2 2.77Å; I484-R486 VanDerWaalsContact C-N 3.31Å; I484-R486 PolarHBondContact O-N 3.35Å; R486-V489 VanDerWaalsContact O-CG2 3.27Å; R486-V489 WeakPolarHBondContact O-CG2 3.36Å; R486-L584 HydrophobicContact CB-CD1 3.71Å; R486-L584 HydrophobicContact CB-CD2 4.31Å; R486-L584 HydrophobicContact CB-CG 4.09Å; R486-E586 WeakPolarHBondContact CD-O 3.48Å; R486-E586 PolarHBondContact NE-O 2.81Å
487	G	87.7	Confident	91.4	Very high	17 Å²	17	41.2 Å²	41.2	18%	0.175	25%	0.247	C	C	.	.	H	α-helix	trans	-82.3	-10	-177.7	0	0	0	0	0	115	I483 I484 A485	I483-G487 PolarHBondContact O-N 3.03Å; I484-G487 CarbonylContact O-C 3.58Å; I484-G487 WeakPolarHBondContact O-CA 3.37Å; I484-G487 PolarHBondContact O-N 3.33Å; A485-G487 VanDerWaalsContact C-N 3.32Å
488	T	90.8	Very high	91.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-112.3	43.5	-177.4	60.3	0	0	0	0	111.4	R462 I484 A485 G490 F491 L496 L499 K524	R462-T488 VanDerWaalsContact CD-O 3.23Å; R462-T488 WeakPolarHBondContact CD-O 3.44Å; R462-T488 PolarHBondContact NE-O 3.23Å; I484-T488 HydrophobicContact CG2-CG2 4Å; I484-T488 WeakPolarHBondContact O-CG2 3.38Å; I484-T488 PolarHBondContact O-N 3.24Å; I484-T488 PolarHBondContact O-OG1 3.42Å; I484-T488 VanDerWaalsContact O-OG1 3.14Å; A485-T488 PolarHBondContact O-OG1 3.2Å; T488-G490 PolarHBondContact O-N 3.15Å; T488-F491 HydrophobicContact CG2-CD2 3.8Å; T488-F491 HydrophobicContact CG2-CE2 3.86Å; T488-F491 HydrophobicContact CG2-CG 4.22Å; T488-F491 HydrophobicContact CG2-CZ 4.33Å; T488-F491 WeakPolarHBondContact O-CB 3.4Å; T488-F491 PolarHBondContact O-N 2.81Å; T488-F491 VanDerWaalsContact O-N 3.09Å; T488-L496 HydrophobicContact CG2-CD2 4.22Å; T488-L499 HydrophobicContact CG2-CD1 3.63Å; T488-K524 HydrophobicContact CG2-CG 4.14Å
489	V	88.3	Confident	92	Very high	80 Å²	80	34.6 Å²	34.6	49%	0.485	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	130.1	178.7	-175.2	0	0	0	0	109.7	R486 F491 P585	R486-V489 VanDerWaalsContact O-CG2 3.27Å; R486-V489 WeakPolarHBondContact O-CG2 3.36Å; V489-F491 VanDerWaalsContact C-N 3.27Å; V489-F491 PolarHBondContact O-N 3.18Å; V489-P585 HydrophobicContact CG2-CG 3.91Å
490	G	87.6	Confident	92.3	Very high	23 Å²	23	33.5 Å²	33.5	24%	0.237	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	5.7	-179.9	0	0	0	0	0	115	R456 T488	R456-G490 VanDerWaalsContact CD-O 3.29Å; R456-G490 WeakPolarHBondContact CD-O 2.71Å; R456-G490 PolarHBondContact NH1-O 3.24Å; T488-G490 PolarHBondContact O-N 3.15Å
491	F	93.1	Very high	92.6	Very high	13 Å²	13	34.3 Å²	34.3	6%	0.057	19%	0.193	C	C	.	.			trans	-69.8	139.2	172.1	-81.3	34.2	0	0	0	110.6	P457 T488 V489 E495 L496 L499 I527 L528	P457-F491 WeakPolarHBondContact CD-O 3.47Å; P457-F491 WeakPolarHBondContact CG-O 3.22Å; T488-F491 HydrophobicContact CG2-CD2 3.8Å; T488-F491 HydrophobicContact CG2-CE2 3.86Å; T488-F491 HydrophobicContact CG2-CG 4.22Å; T488-F491 HydrophobicContact CG2-CZ 4.33Å; T488-F491 WeakPolarHBondContact O-CB 3.4Å; T488-F491 PolarHBondContact O-N 2.81Å; T488-F491 VanDerWaalsContact O-N 3.09Å; V489-F491 VanDerWaalsContact C-N 3.27Å; V489-F491 PolarHBondContact O-N 3.18Å; F491-E495 WeakPolarHBondContact CA-OE2 3.26Å; F491-E495 HydrophobicContact CB-CB 4.22Å; F491-E495 HydrophobicContact CD2-CB 3.88Å; F491-E495 HydrophobicContact CG-CB 4.19Å; F491-L496 HydrophobicContact CB-CD2 3.95Å; F491-L496 HydrophobicContact CB-CG 4.11Å; F491-L496 HydrophobicContact CD2-CD2 4.09Å; F491-L496 HydrophobicContact CG-CD2 4.45Å; F491-L499 HydrophobicContact CE2-CD1 4.11Å; F491-I527 HydrophobicContact CE2-CB 4.45Å; F491-I527 HydrophobicContact CE2-CG2 3.84Å; F491-I527 HydrophobicContact CZ-CB 4.42Å; F491-I527 HydrophobicContact CZ-CG2 3.75Å; F491-L528 HydrophobicContact CE1-CD2 3.53Å; F491-L528 HydrophobicContact CE1-CG 4.26Å; F491-L528 HydrophobicContact CZ-CD2 3.72Å; F491-L528 HydrophobicContact CZ-CG 3.96Å
492	S	94.8	Very high	92.8	Very high	8 Å²	8	36 Å²	36	6%	0.056	20%	0.2	C	C	.	.			trans	-78.6	163.4	168.8	64.7	0	0	0	0	111.4	A494 E495 L496	S492-A494 PolarHBondContact O-N 3.35Å; S492-E495 WeakPolarHBondContact CB-OE2 3.28Å; S492-E495 PolarHBondContact N-OE2 3.26Å; S492-E495 PolarHBondContact O-N 2.67Å; S492-E495 VanDerWaalsContact O-N 3.1Å; S492-E495 VanDerWaalsContact OG-CD 3.32Å; S492-E495 WeakPolarHBondContact OG-CG 3.28Å; S492-E495 PolarHBondContact OG-N 3.49Å; S492-E495 PolarHBondContact OG-OE2 3.48Å; S492-L496 WeakPolarHBondContact O-CG 3.25Å; S492-L496 PolarHBondContact O-N 3.29Å
493	G	93.8	Very high	93	Very high	12 Å²	12	33.4 Å²	33.4	12%	0.124	19%	0.188	C	C	.	.	H	α-helix	trans	-58.6	-36.3	177.4	0	0	0	0	0	113.1	G332 L496 E497	G332-G493 PolarHBondContact O-N 3.44Å; G332-G493 VanDerWaalsContact O-N 3.12Å; G493-L496 PolarHBondContact O-N 3.43Å; G493-E497 PolarHBondContact O-N 2.96Å
494	A	93.9	Very high	93.3	Very high	47 Å²	47	31.7 Å²	31.7	39%	0.388	18%	0.183	S	C	.	.	H	α-helix	trans	-67.8	-36.7	175.2	0	0	0	0	0	112.9	G332 S492 E497 N498	G332-A494 PolarHBondContact O-N 3.02Å; S492-A494 PolarHBondContact O-N 3.35Å; A494-E497 PolarHBondContact O-N 3.49Å; A494-N498 WeakPolarHBondContact O-CB 3.45Å; A494-N498 PolarHBondContact O-N 3.39Å
495	E	95	Very high	93.4	Very high	76 Å²	76	35.8 Å²	35.8	36%	0.355	20%	0.204	S	C	.	.	H	α-helix	trans	-69	-36.1	175.3	-73.4	163.3	148.9	0	0	111.7	F491 S492 N498 L499	F491-E495 WeakPolarHBondContact CA-OE2 3.26Å; F491-E495 HydrophobicContact CB-CB 4.22Å; F491-E495 HydrophobicContact CD2-CB 3.88Å; F491-E495 HydrophobicContact CG-CB 4.19Å; S492-E495 WeakPolarHBondContact CB-OE2 3.28Å; S492-E495 PolarHBondContact N-OE2 3.26Å; S492-E495 PolarHBondContact O-N 2.67Å; S492-E495 VanDerWaalsContact O-N 3.1Å; S492-E495 VanDerWaalsContact OG-CD 3.32Å; S492-E495 WeakPolarHBondContact OG-CG 3.28Å; S492-E495 PolarHBondContact OG-N 3.49Å; S492-E495 PolarHBondContact OG-OE2 3.48Å; E495-N498 PolarHBondContact O-N 3.08Å; E495-L499 WeakPolarHBondContact O-CB 3.4Å; E495-L499 PolarHBondContact O-N 3.39Å
496	L	95.9	Very high	93.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.9	-41.4	173.5	-65.3	173.2	0	0	0	112.2	R462 I465 L466 T488 F491 S492 G493 N498 L499 V500	R462-L496 HydrophobicContact CB-CD1 3.89Å; R462-L496 HydrophobicContact CG-CD1 3.85Å; I465-L496 HydrophobicContact CB-CD1 4.05Å; I465-L496 HydrophobicContact CD1-CD1 4.27Å; I465-L496 HydrophobicContact CG2-CB 4.02Å; I465-L496 HydrophobicContact CG2-CD1 3.83Å; L466-L496 HydrophobicContact CD1-CD2 4.35Å; L466-L496 HydrophobicContact CD2-CB 4.31Å; L466-L496 HydrophobicContact CD2-CD2 4.07Å; L466-L496 HydrophobicContact CG-CD2 4.16Å; T488-L496 HydrophobicContact CG2-CD2 4.22Å; F491-L496 HydrophobicContact CB-CD2 3.95Å; F491-L496 HydrophobicContact CB-CG 4.11Å; F491-L496 HydrophobicContact CD2-CD2 4.09Å; F491-L496 HydrophobicContact CG-CD2 4.45Å; S492-L496 WeakPolarHBondContact O-CG 3.25Å; S492-L496 PolarHBondContact O-N 3.29Å; G493-L496 PolarHBondContact O-N 3.43Å; L496-N498 VanDerWaalsContact C-N 3.32Å; L496-N498 PolarHBondContact O-N 3.46Å; L496-L499 WeakPolarHBondContact O-CB 3.47Å; L496-L499 PolarHBondContact O-N 3.4Å; L496-V500 PolarHBondContact O-N 3.48Å; L496-V500 VanDerWaalsContact O-N 3.09Å
497	E	95.1	Very high	93.8	Very high	91 Å²	91	34.5 Å²	34.5	43%	0.425	20%	0.201	S	C	.	.	H	α-helix	trans	-58.9	-46.2	172.2	-179.1	174	-162.3	0	0	110.9	Y469 G493 A494 L499 V500 N501	Y469-E497 HydrophobicContact CD1-CB 4.35Å; Y469-E497 HydrophobicContact CD1-CG 3.93Å; Y469-E497 HydrophobicContact CD2-CB 4.09Å; Y469-E497 HydrophobicContact CE1-CB 4Å; Y469-E497 VanDerWaalsContact CE1-CD 3.47Å; Y469-E497 HydrophobicContact CE1-CG 3.55Å; Y469-E497 WeakPolarHBondContact CE1-OE1 3.47Å; Y469-E497 HydrophobicContact CE2-CB 3.68Å; Y469-E497 HydrophobicContact CE2-CG 4.2Å; Y469-E497 HydrophobicContact CG-CB 4.42Å; Y469-E497 HydrophobicContact CG-CG 4.43Å; Y469-E497 PolarHBondContact OH-OE2 3.23Å; G493-E497 PolarHBondContact O-N 2.96Å; A494-E497 PolarHBondContact O-N 3.49Å; E497-L499 VanDerWaalsContact C-N 3.34Å; E497-L499 PolarHBondContact O-N 3.49Å; E497-V500 PolarHBondContact O-N 2.97Å; E497-N501 WeakPolarHBondContact O-CB 3.09Å; E497-N501 PolarHBondContact O-N 3.39Å
498	N	95.7	Very high	94.1	Very high	68 Å²	68	37 Å²	37	36%	0.364	22%	0.22	S	C	.	.	H	α-helix	trans	-63.2	-39	177.1	-174.2	39.2	0	0	0	111.8	A494 E495 L496 V500 N501 Q502	A494-N498 WeakPolarHBondContact O-CB 3.45Å; A494-N498 PolarHBondContact O-N 3.39Å; E495-N498 PolarHBondContact O-N 3.08Å; L496-N498 VanDerWaalsContact C-N 3.32Å; L496-N498 PolarHBondContact O-N 3.46Å; N498-V500 PolarHBondContact O-N 3.45Å; N498-N501 PolarHBondContact O-N 3.47Å; N498-Q502 WeakPolarHBondContact O-CB 3.44Å; N498-Q502 VanDerWaalsContact O-CG 3.25Å; N498-Q502 WeakPolarHBondContact O-CG 3.45Å; N498-Q502 PolarHBondContact O-N 3Å; N498-Q502 PolarHBondContact OD1-NE2 2.83Å
499	L	96.2	Very high	94.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.3	-49.7	175.1	-176	157.3	0	0	0	111.3	L466 I484 T488 F491 E495 L496 E497 N501 Q502 S503 L520 A523 K524 I527	L466-L499 HydrophobicContact CD2-CD2 4.5Å; I484-L499 HydrophobicContact CG2-CD1 4.11Å; I484-L499 HydrophobicContact CG2-CD2 4.15Å; T488-L499 HydrophobicContact CG2-CD1 3.63Å; F491-L499 HydrophobicContact CE2-CD1 4.11Å; E495-L499 WeakPolarHBondContact O-CB 3.4Å; E495-L499 PolarHBondContact O-N 3.39Å; L496-L499 WeakPolarHBondContact O-CB 3.47Å; L496-L499 PolarHBondContact O-N 3.4Å; E497-L499 VanDerWaalsContact C-N 3.34Å; E497-L499 PolarHBondContact O-N 3.49Å; L499-N501 VanDerWaalsContact C-N 3.34Å; L499-N501 PolarHBondContact O-N 3.4Å; L499-Q502 PolarHBondContact O-N 3.13Å; L499-S503 PolarHBondContact O-N 3.39Å; L499-L520 HydrophobicContact CD2-CD2 3.69Å; L499-A523 HydrophobicContact CG-CB 4.22Å; L499-A523 WeakPolarHBondContact O-CB 3.47Å; L499-K524 HydrophobicContact CD1-CB 3.94Å; L499-K524 HydrophobicContact CD1-CG 4.36Å; L499-I527 HydrophobicContact CB-CD1 3.69Å; L499-I527 HydrophobicContact CG-CD1 4.27Å
500	V	96.3	Very high	94.5	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.03	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-44.4	178	176.3	0	0	0	0	110.4	L466 L470 I473 L496 E497 N498 Q502 S503 A504	L466-V500 HydrophobicContact CD2-CG2 3.89Å; L470-V500 HydrophobicContact CD2-CG1 4.21Å; L470-V500 HydrophobicContact CD2-CG2 4.21Å; L470-V500 HydrophobicContact CG-CG2 4.4Å; I473-V500 HydrophobicContact CD1-CG1 3.52Å; I473-V500 HydrophobicContact CG1-CG1 4.02Å; L496-V500 PolarHBondContact O-N 3.48Å; L496-V500 VanDerWaalsContact O-N 3.09Å; E497-V500 PolarHBondContact O-N 2.97Å; N498-V500 PolarHBondContact O-N 3.45Å; V500-Q502 PolarHBondContact O-N 2.92Å; V500-S503 PolarHBondContact O-N 3.33Å; V500-S503 PolarHBondContact O-OG 3.16Å; V500-A504 PolarHBondContact O-N 3.31Å
501	N	95.8	Very high	94.8	Very high	85 Å²	85	44.5 Å²	44.5	46%	0.455	27%	0.272	S	S	.	.	H	α-helix	trans	-61.5	-44.1	177.2	-174.1	41.4	0	0	0	112.7	E497 N498 L499 S503 A504 L505	E497-N501 WeakPolarHBondContact O-CB 3.09Å; E497-N501 PolarHBondContact O-N 3.39Å; N498-N501 PolarHBondContact O-N 3.47Å; L499-N501 VanDerWaalsContact C-N 3.34Å; L499-N501 PolarHBondContact O-N 3.4Å; N501-S503 VanDerWaalsContact C-N 3.3Å; N501-S503 PolarHBondContact O-N 3.34Å; N501-A504 PolarHBondContact O-N 2.81Å; N501-L505 WeakPolarHBondContact O-CG 3.34Å; N501-L505 PolarHBondContact O-N 3.4Å
502	Q	94.9	Very high	94.8	Very high	40 Å²	40	47.7 Å²	47.7	19%	0.187	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-36.3	176.8	-69.4	-59.9	-46.8	0	0	112.1	N498 L499 V500 K506 A523	N498-Q502 WeakPolarHBondContact O-CB 3.44Å; N498-Q502 VanDerWaalsContact O-CG 3.25Å; N498-Q502 WeakPolarHBondContact O-CG 3.45Å; N498-Q502 PolarHBondContact O-N 3Å; N498-Q502 PolarHBondContact OD1-NE2 2.83Å; L499-Q502 PolarHBondContact O-N 3.13Å; V500-Q502 PolarHBondContact O-N 2.92Å; Q502-K506 WeakPolarHBondContact O-CB 3.47Å; Q502-K506 PolarHBondContact O-N 2.77Å; Q502-A523 HydrophobicContact CB-CB 3.86Å
503	S	95.8	Very high	94.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.4	-41.1	176	75	0	0	0	0	112	L499 V500 N501 K506 A507 D519 L520	L499-S503 PolarHBondContact O-N 3.39Å; V500-S503 PolarHBondContact O-N 3.33Å; V500-S503 PolarHBondContact O-OG 3.16Å; N501-S503 VanDerWaalsContact C-N 3.3Å; N501-S503 PolarHBondContact O-N 3.34Å; S503-K506 PolarHBondContact O-N 3.37Å; S503-A507 WeakPolarHBondContact O-CB 3.46Å; S503-A507 PolarHBondContact O-N 3.08Å; S503-D519 WeakPolarHBondContact CB-O 3.35Å; S503-L520 WeakPolarHBondContact OG-CD2 3.45Å
504	A	95.3	Very high	94.7	Very high	26 Å²	26	59.6 Å²	59.6	22%	0.215	34%	0.338	C	S	.	.	H	α-helix	trans	-65.5	-43.1	176.1	0	0	0	0	0	111.8	I473 V500 N501 K506 A507 A508 V515	I473-A504 HydrophobicContact CD1-CB 4.38Å; V500-A504 PolarHBondContact O-N 3.31Å; N501-A504 PolarHBondContact O-N 2.81Å; A504-K506 VanDerWaalsContact C-N 3.32Å; A504-K506 PolarHBondContact O-N 3.48Å; A504-A507 PolarHBondContact O-N 3.02Å; A504-A508 WeakPolarHBondContact O-CB 3.35Å; A504-A508 PolarHBondContact O-N 2.75Å; A504-V515 HydrophobicContact CB-CG2 4.17Å
505	L	94.3	Very high	94.8	Very high	89 Å²	89	57.6 Å²	57.6	47%	0.466	32%	0.321	S	S	.	.	H	α-helix	trans	-61.4	-40.9	174.3	-71.4	172.7	0	0	0	111.7	N501 A508 V509	N501-L505 WeakPolarHBondContact O-CG 3.34Å; N501-L505 PolarHBondContact O-N 3.4Å; L505-A508 PolarHBondContact O-N 2.81Å; L505-V509 VanDerWaalsContact O-CG2 3.27Å; L505-V509 WeakPolarHBondContact O-CG2 3.39Å; L505-V509 PolarHBondContact O-N 3.09Å
506	K	93.9	Very high	94.8	Very high	42 Å²	42	55.7 Å²	55.7	18%	0.183	32%	0.315	C	S	.	.	H	α-helix	trans	-63.5	-48.2	176.6	177	56.1	174.7	149.3	0	111.6	Q502 S503 A504 A508 V509 D510 F522	Q502-K506 WeakPolarHBondContact O-CB 3.47Å; Q502-K506 PolarHBondContact O-N 2.77Å; S503-K506 PolarHBondContact O-N 3.37Å; A504-K506 VanDerWaalsContact C-N 3.32Å; A504-K506 PolarHBondContact O-N 3.48Å; K506-A508 VanDerWaalsContact C-N 3.29Å; K506-A508 PolarHBondContact O-N 2.97Å; K506-V509 PolarHBondContact O-N 2.94Å; K506-D510 WeakPolarHBondContact CE-OD2 3.33Å; K506-D510 IonicContact NZ-OD1 2.76Å; K506-D510 PolarHBondContact NZ-OD1 3.29Å; K506-D510 IonicContact NZ-OD2 3.44Å; K506-D510 PolarHBondContact NZ-OD2 3.31Å; K506-D510 PolarHBondContact O-N 2.89Å; K506-F522 HydrophobicContact CB-CD1 4.14Å; K506-F522 HydrophobicContact CB-CE1 4.34Å; K506-F522 HydrophobicContact CD-CD1 3.97Å; K506-F522 HydrophobicContact CD-CE1 3.75Å; K506-F522 HydrophobicContact CD-CZ 4.27Å; K506-F522 HydrophobicContact CG-CD1 3.65Å; K506-F522 HydrophobicContact CG-CE1 3.92Å; K506-F522 HydrophobicContact CG-CG 4.34Å
507	A	95.1	Very high	94.6	Very high	3 Å²	3	57.5 Å²	57.5	3%	0.025	32%	0.324	C	S	.	.	H	α-helix	trans	-59.4	-41.2	177.1	0	0	0	0	0	111.8	S503 A504 D510 G511 K512 V515	S503-A507 WeakPolarHBondContact O-CB 3.46Å; S503-A507 PolarHBondContact O-N 3.08Å; A504-A507 PolarHBondContact O-N 3.02Å; A507-D510 CarbonylContact O-C 3.5Å; A507-D510 PolarHBondContact O-N 2.76Å; A507-G511 PolarHBondContact O-N 3.44Å; A507-G511 VanDerWaalsContact O-N 3.16Å; A507-K512 HydrophobicContact CB-CB 4.26Å; A507-K512 HydrophobicContact CB-CD 4.49Å; A507-K512 PolarHBondContact O-N 2.81Å; A507-V515 HydrophobicContact CB-CG2 3.94Å
508	A	94.6	Very high	94.3	Very high	70 Å²	70	60.8 Å²	60.8	58%	0.579	34%	0.337	S	S	*	.	H	α-helix	trans	-65	-42.1	176.5	0	0	0	0	0	112.7	A504 L505 K506 D510 G511	A504-A508 WeakPolarHBondContact O-CB 3.35Å; A504-A508 PolarHBondContact O-N 2.75Å; L505-A508 PolarHBondContact O-N 2.81Å; K506-A508 VanDerWaalsContact C-N 3.29Å; K506-A508 PolarHBondContact O-N 2.97Å; A508-D510 VanDerWaalsContact C-N 3.29Å; A508-D510 PolarHBondContact O-N 3.39Å; A508-G511 PolarHBondContact O-N 3.32Å; A508-G511 VanDerWaalsContact O-N 3.15Å
509	V	94	Very high	94.2	Very high	121 Å²	121	57.7 Å²	57.7	73%	0.733	32%	0.32	S	S	*	.	H	α-helix	trans	-63.8	-36.1	175.4	168.7	0	0	0	0	111.5	L505 K506 G511	L505-V509 VanDerWaalsContact O-CG2 3.27Å; L505-V509 WeakPolarHBondContact O-CG2 3.39Å; L505-V509 PolarHBondContact O-N 3.09Å; K506-V509 PolarHBondContact O-N 2.94Å; V509-G511 PolarHBondContact O-N 2.89Å
510	D	93.3	Very high	94.1	Very high	72 Å²	72	57.8 Å²	57.8	39%	0.385	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-1	177.5	-67.6	-9.6	0	0	0	113.1	K506 A507 A508 K512	K506-D510 WeakPolarHBondContact CE-OD2 3.33Å; K506-D510 IonicContact NZ-OD1 2.76Å; K506-D510 PolarHBondContact NZ-OD1 3.29Å; K506-D510 IonicContact NZ-OD2 3.44Å; K506-D510 PolarHBondContact NZ-OD2 3.31Å; K506-D510 PolarHBondContact O-N 2.89Å; A507-D510 CarbonylContact O-C 3.5Å; A507-D510 PolarHBondContact O-N 2.76Å; A508-D510 VanDerWaalsContact C-N 3.29Å; A508-D510 PolarHBondContact O-N 3.39Å; D510-K512 VanDerWaalsContact C-N 3.3Å; D510-K512 HydrophobicContact CB-CD 4.44Å; D510-K512 HydrophobicContact CB-CG 4.15Å; D510-K512 PolarHBondContact O-N 3.17Å
511	G	93.4	Very high	93.8	Very high	66 Å²	66	59.1 Å²	59.1	68%	0.68	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	21.6	-179.6	0	0	0	0	0	114.4	A507 A508 V509	A507-G511 PolarHBondContact O-N 3.44Å; A507-G511 VanDerWaalsContact O-N 3.16Å; A508-G511 PolarHBondContact O-N 3.32Å; A508-G511 VanDerWaalsContact O-N 3.15Å; V509-G511 PolarHBondContact O-N 2.89Å
512	K	94.1	Very high	93.5	Very high	80 Å²	80	57.1 Å²	57.1	35%	0.348	31%	0.314	S	S	.	.			trans	-80.5	144.4	177.3	-59.5	178.5	-175.2	173.4	0	110.8	A507 D510 D519	A507-K512 HydrophobicContact CB-CB 4.26Å; A507-K512 HydrophobicContact CB-CD 4.49Å; A507-K512 PolarHBondContact O-N 2.81Å; D510-K512 VanDerWaalsContact C-N 3.3Å; D510-K512 HydrophobicContact CB-CD 4.44Å; D510-K512 HydrophobicContact CB-CG 4.15Å; D510-K512 PolarHBondContact O-N 3.17Å; K512-D519 VanDerWaalsContact NZ-CG 3.29Å; K512-D519 IonicContact NZ-OD1 3.54Å; K512-D519 PolarHBondContact NZ-OD1 2.89Å; K512-D519 IonicContact NZ-OD2 2.71Å; K512-D519 PolarHBondContact NZ-OD2 3.42Å; K512-D519 VanDerWaalsContact NZ-OD2 3.1Å
513	E	92.4	Very high	93.5	Very high	178 Å²	178	55.2 Å²	55.2	83%	0.832	31%	0.305	S	S	*	.	S	Bend	trans	-79.9	-25.3	177.6	-63.7	-171	166.6	0	0	113.8
514	M	94.6	Very high	93.2	Very high	92 Å²	92	55.5 Å²	55.5	45%	0.453	31%	0.306	S	S	.	.	S	Bend	trans	-134.9	146.8	-178.2	-63.4	-175	-72.3	0	0	110.3	K474	K474-M514 HydrophobicContact CB-CG 4.5Å
515	V	95.3	Very high	92.9	Very high	6 Å²	6	54.5 Å²	54.5	4%	0.036	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-73.2	132.2	173.3	178.7	0	0	0	0	109.3	I473 K474 V475 D476 I479 A504 A507 D519 L520	I473-V515 HydrophobicContact CD1-CB 4.34Å; I473-V515 HydrophobicContact CD1-CG2 3.9Å; K474-V515 PolarHBondContact O-N 3.17Å; V475-V515 HydrophobicContact CG1-CB 4.16Å; D476-V515 PolarHBondContact N-O 3.48Å; I479-V515 WeakPolarHBondContact CD1-O 3.45Å; A504-V515 HydrophobicContact CB-CG2 4.17Å; A507-V515 HydrophobicContact CB-CG2 3.94Å; V515-D519 HydrophobicContact CG1-CB 4.08Å; V515-L520 HydrophobicContact CG1-CG 4.28Å
516	T	94.3	Very high	92.6	Very high	35 Å²	35	53.7 Å²	53.7	22%	0.215	29%	0.29	C	S	.	.			trans	-108.1	165.3	179.2	63.7	0	0	0	0	111.7	K518 D519 L520	T516-K518 PolarHBondContact O-N 3.37Å; T516-D519 PolarHBondContact N-OD2 2.89Å; T516-D519 WeakPolarHBondContact O-CB 3.49Å; T516-D519 PolarHBondContact O-N 3.13Å; T516-D519 PolarHBondContact OG1-OD2 3.39Å; T516-L520 PolarHBondContact O-N 3.11Å
517	M	91.4	Very high	92.5	Very high	39 Å²	39	54.1 Å²	54.1	19%	0.192	29%	0.294	C	S	.	.	H	α-helix	trans	-55.7	-37.7	176.3	-173.4	61.4	179.5	0	0	112.4	I479 I483 I484 D519 L520 E521	I479-M517 HydrophobicContact CG1-CB 4.39Å; I479-M517 HydrophobicContact CG2-SD 4.48Å; I483-M517 HydrophobicContact CB-CE 3.62Å; I483-M517 HydrophobicContact CD1-CE 4.26Å; I483-M517 HydrophobicContact CG2-CE 3.48Å; I483-M517 VanDerWaalsContact CG2-CE 3.48Å; I484-M517 HydrophobicContact CD1-CE 3.44Å; I484-M517 VanDerWaalsContact CD1-CE 3.44Å; I484-M517 HydrophobicContact CD1-SD 3.93Å; I484-M517 HydrophobicContact CG1-CE 3.76Å; I484-M517 HydrophobicContact CG1-SD 3.98Å; M517-D519 PolarHBondContact O-N 2.97Å; M517-L520 PolarHBondContact O-N 3.09Å; M517-L520 VanDerWaalsContact O-N 3.17Å; M517-L520 HydrophobicContact SD-CD1 4.49Å; M517-E521 HydrophobicContact CE-CG 4.21Å; M517-E521 WeakPolarHBondContact O-CG 3.38Å; M517-E521 PolarHBondContact O-N 2.86Å
518	K	89.9	Confident	92	Very high	160 Å²	160	58.1 Å²	58.1	70%	0.696	31%	0.314	S	S	*	.	H	α-helix	trans	-60.8	-33	176.5	-65.5	-174	176.7	-174.2	0	112.8	T516 F522	T516-K518 PolarHBondContact O-N 3.37Å; K518-F522 VanDerWaalsContact O-CB 3.3Å; K518-F522 WeakPolarHBondContact O-CB 3.42Å; K518-F522 PolarHBondContact O-N 3.02Å
519	D	93.7	Very high	91.5	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.016	29%	0.294	C	S	.	.	H	α-helix	trans	-75	-35.3	178.6	-56.7	-50.2	0	0	0	111.4	S503 K512 V515 T516 M517 A523	S503-D519 WeakPolarHBondContact CB-O 3.35Å; K512-D519 VanDerWaalsContact NZ-CG 3.29Å; K512-D519 IonicContact NZ-OD1 3.54Å; K512-D519 PolarHBondContact NZ-OD1 2.89Å; K512-D519 IonicContact NZ-OD2 2.71Å; K512-D519 PolarHBondContact NZ-OD2 3.42Å; K512-D519 VanDerWaalsContact NZ-OD2 3.1Å; V515-D519 HydrophobicContact CG1-CB 4.08Å; T516-D519 PolarHBondContact N-OD2 2.89Å; T516-D519 WeakPolarHBondContact O-CB 3.49Å; T516-D519 PolarHBondContact O-N 3.13Å; T516-D519 PolarHBondContact OG1-OD2 3.39Å; M517-D519 PolarHBondContact O-N 2.97Å; D519-A523 WeakPolarHBondContact O-CB 3.43Å; D519-A523 PolarHBondContact O-N 2.96Å
520	L	93.7	Very high	91.2	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-67.4	-43.9	173.3	-71.6	168.7	0	0	0	111.6	L470 I479 I484 L499 S503 V515 T516 M517 A523 K524	L470-L520 HydrophobicContact CD2-CD1 4.2Å; L470-L520 HydrophobicContact CD2-CD2 4.13Å; I479-L520 HydrophobicContact CD1-CD1 3.99Å; I479-L520 HydrophobicContact CG1-CD1 4.4Å; I479-L520 HydrophobicContact CG2-CD1 3.6Å; I484-L520 HydrophobicContact CD1-CB 3.89Å; I484-L520 HydrophobicContact CG1-CB 4.1Å; I484-L520 HydrophobicContact CG1-CD1 4.36Å; L499-L520 HydrophobicContact CD2-CD2 3.69Å; S503-L520 WeakPolarHBondContact OG-CD2 3.45Å; V515-L520 HydrophobicContact CG1-CG 4.28Å; T516-L520 PolarHBondContact O-N 3.11Å; M517-L520 PolarHBondContact O-N 3.09Å; M517-L520 VanDerWaalsContact O-N 3.17Å; M517-L520 HydrophobicContact SD-CD1 4.49Å; L520-A523 PolarHBondContact O-N 2.8Å; L520-K524 WeakPolarHBondContact O-CB 3.39Å; L520-K524 PolarHBondContact O-N 3.1Å
521	E	90.3	Very high	90.8	Very high	32 Å²	32	51.8 Å²	51.8	15%	0.15	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-41.8	174.4	-72.1	178.4	169.5	0	0	111.9	I484 M517 A523 K524 D525	I484-E521 HydrophobicContact CD1-CG 4.03Å; M517-E521 HydrophobicContact CE-CG 4.21Å; M517-E521 WeakPolarHBondContact O-CG 3.38Å; M517-E521 PolarHBondContact O-N 2.86Å; E521-A523 VanDerWaalsContact C-N 3.32Å; E521-A523 PolarHBondContact O-N 3.18Å; E521-K524 WeakPolarHBondContact O-CB 3.35Å; E521-K524 PolarHBondContact O-N 3.08Å; E521-D525 WeakPolarHBondContact O-CB 3.5Å; E521-D525 VanDerWaalsContact O-CG 3.25Å; E521-D525 PolarHBondContact O-N 3.38Å
522	F	90	Very high	90.4	Very high	43 Å²	43	50.4 Å²	50.4	19%	0.189	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-43.6	173.6	176.1	-92.3	0	0	0	111.9	K506 K518 D525 K526	K506-F522 HydrophobicContact CB-CD1 4.14Å; K506-F522 HydrophobicContact CB-CE1 4.34Å; K506-F522 HydrophobicContact CD-CD1 3.97Å; K506-F522 HydrophobicContact CD-CE1 3.75Å; K506-F522 HydrophobicContact CD-CZ 4.27Å; K506-F522 HydrophobicContact CG-CD1 3.65Å; K506-F522 HydrophobicContact CG-CE1 3.92Å; K506-F522 HydrophobicContact CG-CG 4.34Å; K518-F522 VanDerWaalsContact O-CB 3.3Å; K518-F522 WeakPolarHBondContact O-CB 3.42Å; K518-F522 PolarHBondContact O-N 3.02Å; F522-D525 PolarHBondContact O-N 3.41Å; F522-K526 HydrophobicContact CE1-CD 4.24Å; F522-K526 VanDerWaalsContact O-CB 3.25Å; F522-K526 WeakPolarHBondContact O-CB 3.39Å; F522-K526 PolarHBondContact O-N 3.44Å
523	A	93.5	Very high	89.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65	-42.5	177.4	0	0	0	0	0	112.1	L499 Q502 D519 L520 E521 K526 I527	L499-A523 HydrophobicContact CG-CB 4.22Å; L499-A523 WeakPolarHBondContact O-CB 3.47Å; Q502-A523 HydrophobicContact CB-CB 3.86Å; D519-A523 WeakPolarHBondContact O-CB 3.43Å; D519-A523 PolarHBondContact O-N 2.96Å; L520-A523 PolarHBondContact O-N 2.8Å; E521-A523 VanDerWaalsContact C-N 3.32Å; E521-A523 PolarHBondContact O-N 3.18Å; A523-K526 PolarHBondContact O-N 3.09Å; A523-I527 WeakPolarHBondContact O-CG1 3.43Å; A523-I527 PolarHBondContact O-N 3.12Å
524	K	91.2	Very high	89	Confident	7 Å²	7	53 Å²	53	3%	0.03	25%	0.25	C	S	.	.	H	α-helix	trans	-56.2	-53.8	173.3	-176.4	-162.8	68.6	172.7	0	110.8	T488 L499 L520 E521 K526 I527 L528	T488-K524 HydrophobicContact CG2-CG 4.14Å; L499-K524 HydrophobicContact CD1-CB 3.94Å; L499-K524 HydrophobicContact CD1-CG 4.36Å; L520-K524 WeakPolarHBondContact O-CB 3.39Å; L520-K524 PolarHBondContact O-N 3.1Å; E521-K524 WeakPolarHBondContact O-CB 3.35Å; E521-K524 PolarHBondContact O-N 3.08Å; K524-K526 VanDerWaalsContact C-N 3.28Å; K524-K526 PolarHBondContact O-N 3.49Å; K524-I527 PolarHBondContact O-N 3Å; K524-I527 VanDerWaalsContact O-N 3.15Å; K524-L528 HydrophobicContact CD-CD1 4.41Å; K524-L528 HydrophobicContact CG-CD1 3.94Å; K524-L528 WeakPolarHBondContact O-CG 3.46Å; K524-L528 PolarHBondContact O-N 3.46Å
525	D	87.9	Confident	88.1	Confident	4 Å²	4	54 Å²	54	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-37.4	-179	-67.5	-7.7	0	0	0	111.3	E521 F522 I527 L528 M529 K568	E521-D525 WeakPolarHBondContact O-CB 3.5Å; E521-D525 VanDerWaalsContact O-CG 3.25Å; E521-D525 PolarHBondContact O-N 3.38Å; F522-D525 PolarHBondContact O-N 3.41Å; D525-I527 PolarHBondContact O-N 3.26Å; D525-L528 PolarHBondContact O-N 2.99Å; D525-M529 WeakPolarHBondContact O-CB 3.42Å; D525-M529 PolarHBondContact O-N 3.06Å; D525-K568 IonicContact OD2-NZ 2.79Å; D525-K568 PolarHBondContact OD2-NZ 3.25Å
526	K	89	Confident	87.2	Confident	72 Å²	72	56 Å²	56	31%	0.313	28%	0.279	S	S	.	.	H	α-helix	trans	-64.2	-37.9	175.8	-177.7	-177.4	177.3	-171.1	0	112.5	F522 A523 K524 G530	F522-K526 HydrophobicContact CE1-CD 4.24Å; F522-K526 VanDerWaalsContact O-CB 3.25Å; F522-K526 WeakPolarHBondContact O-CB 3.39Å; F522-K526 PolarHBondContact O-N 3.44Å; A523-K526 PolarHBondContact O-N 3.09Å; K524-K526 VanDerWaalsContact C-N 3.28Å; K524-K526 PolarHBondContact O-N 3.49Å; K526-G530 WeakPolarHBondContact CA-O 3.31Å; K526-G530 CarbonylContact O-C 3.56Å; K526-G530 WeakPolarHBondContact O-CA 3.48Å; K526-G530 PolarHBondContact O-N 3.39Å
527	I	90.2	Very high	86.3	Confident	52 Å²	52	63.6 Å²	63.6	27%	0.267	31%	0.312	S	S	.	.	H	α-helix	trans	-73.7	-42.2	178.1	-69.1	167.9	0	0	0	110.6	F491 L499 A523 K524 D525	F491-I527 HydrophobicContact CE2-CB 4.45Å; F491-I527 HydrophobicContact CE2-CG2 3.84Å; F491-I527 HydrophobicContact CZ-CB 4.42Å; F491-I527 HydrophobicContact CZ-CG2 3.75Å; L499-I527 HydrophobicContact CB-CD1 3.69Å; L499-I527 HydrophobicContact CG-CD1 4.27Å; A523-I527 WeakPolarHBondContact O-CG1 3.43Å; A523-I527 PolarHBondContact O-N 3.12Å; K524-I527 PolarHBondContact O-N 3Å; K524-I527 VanDerWaalsContact O-N 3.15Å; D525-I527 PolarHBondContact O-N 3.26Å
528	L	85.6	Confident	85.8	Confident	87 Å²	87	63.9 Å²	63.9	46%	0.455	31%	0.314	S	S	.	.	H	α-helix	trans	-72	-45.8	-178.5	-72.7	174.3	0	0	0	113.3	F491 K524 D525	F491-L528 HydrophobicContact CE1-CD2 3.53Å; F491-L528 HydrophobicContact CE1-CG 4.26Å; F491-L528 HydrophobicContact CZ-CD2 3.72Å; F491-L528 HydrophobicContact CZ-CG 3.96Å; K524-L528 HydrophobicContact CD-CD1 4.41Å; K524-L528 HydrophobicContact CG-CD1 3.94Å; K524-L528 WeakPolarHBondContact O-CG 3.46Å; K524-L528 PolarHBondContact O-N 3.46Å; D525-L528 PolarHBondContact O-N 2.99Å
529	M	83.9	Confident	85.7	Confident	29 Å²	29	61.7 Å²	61.7	14%	0.143	31%	0.31	C	S	.	.	H	α-helix	trans	-113.3	-11	-168.1	-54.2	172.6	-161.7	0	0	113.1	D525 R574 G575 H580	D525-M529 WeakPolarHBondContact O-CB 3.42Å; D525-M529 PolarHBondContact O-N 3.06Å; M529-R574 HydrophobicContact CB-CB 3.86Å; M529-R574 CarbonylContact O-C 3.36Å; M529-G575 WeakPolarHBondContact O-CA 3.34Å; M529-G575 PolarHBondContact O-N 2.78Å; M529-H580 HydrophobicContact CE-CB 4.35Å; M529-H580 WeakPolarHBondContact CE-CD2 3.2Å; M529-H580 WeakPolarHBondContact CE-NE2 3.33Å; M529-H580 HydrophobicContact SD-CB 3.97Å
530	G	86.6	Confident	85.5	Confident	18 Å²	18	70.4 Å²	70.4	19%	0.186	35%	0.348	C	S	.	.			trans	90.3	177.5	-172.5	0	0	0	0	0	113.6	K526	K526-G530 WeakPolarHBondContact CA-O 3.31Å; K526-G530 CarbonylContact O-C 3.56Å; K526-G530 WeakPolarHBondContact O-CA 3.48Å; K526-G530 PolarHBondContact O-N 3.39Å
531	P	86.3	Confident	85.3	Confident	83 Å²	83	77 Å²	77	54%	0.539	38%	0.376	S	S	.	.			trans	-67	146.9	-176.8	28.8	-34.7	0	0	0	112.1	G575	P531-G575 PolarHBondContact O-N 2.88Å
532	E	84	Confident	85.2	Confident	37 Å²	37	79 Å²	79	17%	0.173	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-68.4	133.8	174.9	-168.9	-177.2	135	0	0	111.3	R534 M572 R574	E532-R534 HydrophobicContact CG-CG 4.21Å; E532-R534 VanDerWaalsContact OE1-CG 3.29Å; E532-R534 WeakPolarHBondContact OE1-CG 3.39Å; E532-R534 IonicContact OE1-CZ 3.71Å; E532-R534 IonicContact OE1-NE 3.21Å; E532-R534 PolarHBondContact OE1-NE 2.94Å; E532-R534 IonicContact OE1-NH2 3.57Å; E532-R534 PolarHBondContact OE1-NH2 3.09Å; E532-R534 IonicContact OE2-NH2 3.38Å; E532-M572 HydrophobicContact CG-CE 4.15Å; E532-M572 WeakPolarHBondContact OE1-CE 3.16Å; E532-R574 IonicContact OE2-CZ 2.79Å; E532-R574 IonicContact OE2-NH1 2.65Å; E532-R574 IonicContact OE2-NH2 3.14Å; E532-R574 PolarHBondContact OE2-NH2 2.73Å
533	R	81.8	Confident	85.2	Confident	128 Å²	128	79.5 Å²	79.5	48%	0.483	39%	0.39	S	S	.	.			trans	-104	71.9	-176.1	-65.5	-176.7	65.9	-174.3	-2	112.1	S535 V536 P573	R533-S535 PolarHBondContact O-N 2.89Å; R533-V536 HydrophobicContact CB-CG2 3.89Å; R533-V536 PolarHBondContact O-N 3.12Å; R533-P573 HydrophobicContact CB-CB 4.46Å; R533-P573 HydrophobicContact CB-CG 4.28Å; R533-P573 PolarHBondContact N-O 3.21Å
534	R	76.1	Confident	85.2	Confident	183 Å²	183	81.5 Å²	81.5	69%	0.691	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.9	179.6	-65.8	-174.4	179.9	-171.8	-2.7	114.9	E532 V536 M572	E532-R534 HydrophobicContact CG-CG 4.21Å; E532-R534 VanDerWaalsContact OE1-CG 3.29Å; E532-R534 WeakPolarHBondContact OE1-CG 3.39Å; E532-R534 IonicContact OE1-CZ 3.71Å; E532-R534 IonicContact OE1-NE 3.21Å; E532-R534 PolarHBondContact OE1-NE 2.94Å; E532-R534 IonicContact OE1-NH2 3.57Å; E532-R534 PolarHBondContact OE1-NH2 3.09Å; E532-R534 IonicContact OE2-NH2 3.38Å; R534-V536 VanDerWaalsContact C-N 3.31Å; R534-M572 HydrophobicContact CG-CE 4.48Å
535	S	75.8	Confident	85.3	Confident	113 Å²	113	81.9 Å²	81.9	79%	0.79	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-8	-178	56.7	0	0	0	0	114.3	R533 E537	R533-S535 PolarHBondContact O-N 2.89Å; S535-E537 PolarHBondContact O-N 3.2Å
536	V	76.2	Confident	85.6	Confident	50 Å²	50	82.3 Å²	82.3	30%	0.303	41%	0.407	S	S	.	.			trans	-82.8	105.1	179.1	-179.4	0	0	0	0	108	R533 R534 I538	R533-V536 HydrophobicContact CB-CG2 3.89Å; R533-V536 PolarHBondContact O-N 3.12Å; R534-V536 VanDerWaalsContact C-N 3.31Å; V536-I538 HydrophobicContact CG1-CG1 3.95Å; V536-I538 PolarHBondContact O-N 2.93Å; V536-I538 VanDerWaalsContact O-N 3.16Å
537	E	76	Confident	85.9	Confident	194 Å²	194	78.9 Å²	78.9	91%	0.907	39%	0.392	S	S	*	.			trans	-67.1	110.5	165.5	-77.6	-174.8	152.6	0	0	108.6	S535	S535-E537 PolarHBondContact O-N 3.2Å
538	I	80.1	Confident	86.1	Confident	44 Å²	44	77.5 Å²	77.5	23%	0.226	38%	0.384	C	S	.	.			trans	-94.2	127.6	174.3	-60	175.6	0	0	0	107.8	V536 K540 N542 K543 P573 L578	V536-I538 HydrophobicContact CG1-CG1 3.95Å; V536-I538 PolarHBondContact O-N 2.93Å; V536-I538 VanDerWaalsContact O-N 3.16Å; I538-K540 PolarHBondContact O-N 3.14Å; I538-N542 HydrophobicContact CG2-CB 3.71Å; I538-K543 HydrophobicContact CG2-CB 4.14Å; I538-P573 HydrophobicContact CD1-CB 4.17Å; I538-P573 HydrophobicContact CD1-CG 3.83Å; I538-L578 HydrophobicContact CD1-CD2 4.17Å
539	D	87.8	Confident	86.6	Confident	114 Å²	114	74 Å²	74	61%	0.61	37%	0.365	S	S	*	.			trans	-52.5	139.6	172.8	-72.4	-28.7	0	0	0	111.1	K541 N542 K543	D539-K541 PolarHBondContact O-N 2.85Å; D539-K541 VanDerWaalsContact O-N 3.08Å; D539-N542 HydrophobicContact CB-CB 4.43Å; D539-N542 PolarHBondContact O-N 2.76Å; D539-K543 PolarHBondContact O-N 3.17Å
540	K	88.7	Confident	87.1	Confident	187 Å²	187	73.3 Å²	73.3	81%	0.813	36%	0.361	S	S	*	.	H	α-helix	trans	-51.6	-39.4	179	-69	-175.9	179.6	-178.8	0	112.2	I538 K543 T544	I538-K540 PolarHBondContact O-N 3.14Å; K540-K543 PolarHBondContact O-N 2.85Å; K540-T544 WeakPolarHBondContact O-CB 3.36Å; K540-T544 PolarHBondContact O-N 3.28Å; K540-T544 PolarHBondContact O-OG1 2.99Å
541	K	89.8	Confident	87.5	Confident	139 Å²	139	72.4 Å²	72.4	60%	0.604	35%	0.353	S	S	*	.	H	α-helix	trans	-60.3	-47.7	176.7	-174	-178.7	177.5	-174.9	0	111.9	D539 T544 I545	D539-K541 PolarHBondContact O-N 2.85Å; D539-K541 VanDerWaalsContact O-N 3.08Å; K541-T544 PolarHBondContact O-N 2.85Å; K541-I545 HydrophobicContact CG-CD1 4.17Å; K541-I545 WeakPolarHBondContact O-CG1 3.41Å; K541-I545 PolarHBondContact O-N 3.16Å
542	N	88.6	Confident	88	Confident	74 Å²	74	68.5 Å²	68.5	40%	0.396	33%	0.327	S	S	.	.	H	α-helix	trans	-67.5	-40.6	179.5	-69.3	-18.9	0	0	0	111.1	I538 D539 T544 I545 T546	I538-N542 HydrophobicContact CG2-CB 3.71Å; D539-N542 HydrophobicContact CB-CB 4.43Å; D539-N542 PolarHBondContact O-N 2.76Å; N542-T544 VanDerWaalsContact C-N 3.31Å; N542-T544 PolarHBondContact O-N 2.73Å; N542-I545 PolarHBondContact O-N 3.37Å; N542-T546 PolarHBondContact O-N 2.8Å; N542-T546 PolarHBondContact O-OG1 2.89Å; N542-T546 VanDerWaalsContact O-OG1 3.1Å
543	K	90.7	Very high	88.5	Confident	54 Å²	54	67.4 Å²	67.4	24%	0.235	32%	0.322	C	S	.	.	H	α-helix	trans	-59.4	-42.1	174.4	-166.9	178.8	-174.6	179.4	0	111.7	I538 D539 K540 T546 A547 I571 L701 E704	I538-K543 HydrophobicContact CG2-CB 4.14Å; D539-K543 PolarHBondContact O-N 3.17Å; K540-K543 PolarHBondContact O-N 2.85Å; K543-T546 PolarHBondContact O-N 2.75Å; K543-A547 WeakPolarHBondContact O-CB 3.37Å; K543-A547 PolarHBondContact O-N 3.01Å; K543-I571 HydrophobicContact CD-CD1 4.3Å; K543-I571 VanDerWaalsContact CE-CD1 3.45Å; K543-I571 HydrophobicContact CG-CD1 3.88Å; K543-L701 HydrophobicContact CD-CD2 4.48Å; K543-L701 HydrophobicContact CG-CD2 4.03Å; K543-E704 IonicContact NZ-OE1 3.54Å; K543-E704 PolarHBondContact NZ-OE1 3.05Å
544	T	93.2	Very high	89.1	Confident	42 Å²	42	61.3 Å²	61.3	26%	0.258	30%	0.299	S	S	.	.	H	α-helix	trans	-63.4	-45.9	173.9	-59	0	0	0	0	111.6	K540 K541 N542 T546 A547 Y548 F615 L701	K540-T544 WeakPolarHBondContact O-CB 3.36Å; K540-T544 PolarHBondContact O-N 3.28Å; K540-T544 PolarHBondContact O-OG1 2.99Å; K541-T544 PolarHBondContact O-N 2.85Å; N542-T544 VanDerWaalsContact C-N 3.31Å; N542-T544 PolarHBondContact O-N 2.73Å; T544-T546 VanDerWaalsContact C-N 3.34Å; T544-T546 PolarHBondContact O-N 3.16Å; T544-A547 PolarHBondContact O-N 3.37Å; T544-Y548 HydrophobicContact CG2-CD2 3.75Å; T544-Y548 HydrophobicContact CG2-CE2 3.71Å; T544-Y548 VanDerWaalsContact O-CD2 3.3Å; T544-Y548 WeakPolarHBondContact O-CD2 3.28Å; T544-Y548 PolarHBondContact O-N 3.41Å; T544-F615 HydrophobicContact CG2-CZ 4.27Å; T544-L701 HydrophobicContact CG2-CD1 4.28Å
545	I	93.1	Very high	90.1	Very high	15 Å²	15	52.6 Å²	52.6	8%	0.077	27%	0.266	C	S	.	.	H	α-helix	trans	-58.4	-48.2	177.3	-67.2	163.6	0	0	0	110.6	K541 N542 A547 Y548 H549 E611 F615 T621	K541-I545 HydrophobicContact CG-CD1 4.17Å; K541-I545 WeakPolarHBondContact O-CG1 3.41Å; K541-I545 PolarHBondContact O-N 3.16Å; N542-I545 PolarHBondContact O-N 3.37Å; I545-A547 VanDerWaalsContact C-N 3.33Å; I545-A547 PolarHBondContact O-N 2.72Å; I545-Y548 PolarHBondContact O-N 2.98Å; I545-H549 VanDerWaalsContact O-CB 3.32Å; I545-H549 WeakPolarHBondContact O-CB 3.5Å; I545-H549 PolarHBondContact O-N 3.32Å; I545-E611 HydrophobicContact CG2-CG 4.11Å; I545-F615 HydrophobicContact CB-CE2 4.16Å; I545-F615 HydrophobicContact CB-CZ 4.36Å; I545-F615 HydrophobicContact CG1-CD2 4.22Å; I545-F615 HydrophobicContact CG1-CE1 4.2Å; I545-F615 HydrophobicContact CG1-CE2 3.78Å; I545-F615 HydrophobicContact CG1-CZ 3.77Å; I545-F615 HydrophobicContact CG2-CE2 4.24Å; I545-T621 HydrophobicContact CD1-CG2 4.28Å; I545-T621 HydrophobicContact CG2-CG2 3.68Å
546	T	93.7	Very high	91	Very high	14 Å²	14	47.2 Å²	47.2	9%	0.086	23%	0.229	C	C	.	.	H	α-helix	trans	-59.2	-42.3	176.2	-56.8	0	0	0	0	111.8	N542 K543 T544 Y548 H549 E550 I571 L578	N542-T546 PolarHBondContact O-N 2.8Å; N542-T546 PolarHBondContact O-OG1 2.89Å; N542-T546 VanDerWaalsContact O-OG1 3.1Å; K543-T546 PolarHBondContact O-N 2.75Å; T544-T546 VanDerWaalsContact C-N 3.34Å; T544-T546 PolarHBondContact O-N 3.16Å; T546-Y548 PolarHBondContact O-N 2.61Å; T546-H549 WeakPolarHBondContact O-CB 3.44Å; T546-H549 PolarHBondContact O-N 3.18Å; T546-E550 HydrophobicContact CG2-CG 4.07Å; T546-E550 WeakPolarHBondContact O-CG 3.44Å; T546-E550 PolarHBondContact O-N 3.49Å; T546-I571 HydrophobicContact CG2-CB 4.23Å; T546-I571 HydrophobicContact CG2-CG2 4.22Å; T546-L578 HydrophobicContact CG2-CB 4.14Å
547	A	94.9	Very high	91.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-41.6	177.3	0	0	0	0	0	113.2	K543 T544 I545 H549 S551 I571 L700 L701	K543-A547 WeakPolarHBondContact O-CB 3.37Å; K543-A547 PolarHBondContact O-N 3.01Å; T544-A547 PolarHBondContact O-N 3.37Å; I545-A547 VanDerWaalsContact C-N 3.33Å; I545-A547 PolarHBondContact O-N 2.72Å; A547-H549 VanDerWaalsContact C-N 3.33Å; A547-S551 VanDerWaalsContact O-CB 3.25Å; A547-S551 WeakPolarHBondContact O-CB 3.45Å; A547-S551 PolarHBondContact O-N 3.48Å; A547-S551 PolarHBondContact O-OG 2.71Å; A547-I571 HydrophobicContact CB-CD1 4.48Å; A547-I571 HydrophobicContact CB-CG2 4.09Å; A547-L700 HydrophobicContact CB-CB 4.26Å; A547-L701 HydrophobicContact CB-CD1 4.45Å; A547-L701 HydrophobicContact CB-CD2 3.8Å; A547-L701 HydrophobicContact CB-CG 3.69Å
548	Y	95.4	Very high	92.8	Very high	22 Å²	22	40.8 Å²	40.8	9%	0.086	19%	0.193	C	C	.	.	H	α-helix	trans	-68.2	-34.1	174	-82.4	-81.8	0	0	0	112.3	T544 I545 T546 S551 G552 A610 I614 F615 H693 A697	T544-Y548 HydrophobicContact CG2-CD2 3.75Å; T544-Y548 HydrophobicContact CG2-CE2 3.71Å; T544-Y548 VanDerWaalsContact O-CD2 3.3Å; T544-Y548 WeakPolarHBondContact O-CD2 3.28Å; T544-Y548 PolarHBondContact O-N 3.41Å; I545-Y548 PolarHBondContact O-N 2.98Å; T546-Y548 PolarHBondContact O-N 2.61Å; Y548-S551 VanDerWaalsContact CA-OG 3.3Å; Y548-S551 WeakPolarHBondContact CA-OG 3.4Å; Y548-S551 PolarHBondContact O-OG 2.72Å; Y548-G552 PolarHBondContact O-N 3.47Å; Y548-A610 VanDerWaalsContact O-CB 3.25Å; Y548-A610 WeakPolarHBondContact O-CB 3.47Å; Y548-I614 HydrophobicContact CD1-CB 4.39Å; Y548-I614 HydrophobicContact CD1-CD1 4.36Å; Y548-I614 HydrophobicContact CD1-CG1 3.77Å; Y548-I614 HydrophobicContact CD1-CG2 4.14Å; Y548-I614 HydrophobicContact CE1-CD1 4.18Å; Y548-I614 HydrophobicContact CE1-CG1 4.06Å; Y548-I614 HydrophobicContact CE1-CG2 4.12Å; Y548-I614 HydrophobicContact CG-CG2 4.35Å; Y548-F615 HydrophobicContact CD2-CE2 4.43Å; Y548-F615 AromaticContact CD2-CZ 3.83Å; Y548-F615 HydrophobicContact CD2-CZ 3.83Å; Y548-F615 HydrophobicContact CG-CE2 4.38Å; Y548-F615 HydrophobicContact CG-CZ 4.2Å; Y548-H693 AromaticContact CD1-CE1 3.63Å; Y548-H693 PolarHBondContact O-NE2 3.15Å; Y548-A697 HydrophobicContact CD1-CB 3.74Å; Y548-A697 HydrophobicContact CD2-CB 4.11Å; Y548-A697 HydrophobicContact CE1-CB 3.75Å; Y548-A697 HydrophobicContact CE2-CB 4.08Å; Y548-A697 HydrophobicContact CG-CB 3.94Å
549	H	95.3	Very high	93.4	Very high	14 Å²	14	42.2 Å²	42.2	7%	0.065	20%	0.196	C	C	.	.	H	α-helix	trans	-65.4	-55.4	175.9	-172.2	110	0	0	0	111.9	I545 T546 A547 S551 G552 H553 G607 E611 D627	I545-H549 VanDerWaalsContact O-CB 3.32Å; I545-H549 WeakPolarHBondContact O-CB 3.5Å; I545-H549 PolarHBondContact O-N 3.32Å; T546-H549 WeakPolarHBondContact O-CB 3.44Å; T546-H549 PolarHBondContact O-N 3.18Å; A547-H549 VanDerWaalsContact C-N 3.33Å; H549-S551 PolarHBondContact O-N 2.78Å; H549-G552 WeakPolarHBondContact O-CA 3.09Å; H549-G552 PolarHBondContact O-N 2.74Å; H549-H553 AromaticContact CD2-CD2 3.67Å; H549-H553 AromaticContact CD2-NE2 3.46Å; H549-H553 PolarHBondContact CD2-NE2 2.85Å; H549-H553 AromaticContact NE2-CD2 3.87Å; H549-H553 AromaticContact NE2-NE2 3.16Å; H549-H553 PolarHBondContact NE2-NE2 2.94Å; H549-H553 VanDerWaalsContact NE2-NE2 3.16Å; H549-H553 PolarHBondContact O-N 3.36Å; H549-G607 WeakPolarHBondContact O-CA 3.41Å; H549-E611 HydrophobicContact CB-CG 4.38Å; H549-E611 IonicContact CE1-OE1 2.71Å; H549-E611 IonicContact CG-OE1 3.77Å; H549-E611 IonicContact ND1-OE1 3.03Å; H549-E611 PolarHBondContact ND1-OE1 3.44Å; H549-D627 IonicContact CE1-OD2 3.56Å; H549-D627 IonicContact NE2-OD2 3.64Å; H549-D627 PolarHBondContact NE2-OD2 3.46Å
550	E	95.1	Very high	93.8	Very high	14 Å²	14	37.8 Å²	37.8	7%	0.065	17%	0.173	C	C	.	.	H	α-helix	trans	-65.5	-39	-179.4	-60.6	-52.9	149.1	0	0	112.1	T546 G552 H553 A554 I571 G579 H580 V581 L700	T546-E550 HydrophobicContact CG2-CG 4.07Å; T546-E550 WeakPolarHBondContact O-CG 3.44Å; T546-E550 PolarHBondContact O-N 3.49Å; E550-G552 PolarHBondContact O-N 3.41Å; E550-H553 PolarHBondContact O-N 3.28Å; E550-A554 PolarHBondContact O-N 3.07Å; E550-I571 HydrophobicContact CB-CG2 4.44Å; E550-I571 HydrophobicContact CG-CG2 4.19Å; E550-G579 VanDerWaalsContact CD-C 3.41Å; E550-G579 WeakPolarHBondContact OE1-CA 3.45Å; E550-H580 VanDerWaalsContact CD-N 3.34Å; E550-H580 VanDerWaalsContact OE2-C 3.26Å; E550-H580 VanDerWaalsContact OE2-CA 3.25Å; E550-H580 WeakPolarHBondContact OE2-CA 3.49Å; E550-H580 PolarHBondContact OE2-N 3.36Å; E550-V581 HydrophobicContact CB-CG2 4.13Å; E550-V581 VanDerWaalsContact O-CG2 3.24Å; E550-V581 WeakPolarHBondContact O-CG2 3.45Å; E550-V581 PolarHBondContact OE2-N 3.09Å; E550-L700 HydrophobicContact CB-CD1 4.33Å
551	S	95.2	Very high	93.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.1	-28.7	172.3	57	0	0	0	0	112.2	A547 Y548 H549 A554 I555 H693	A547-S551 VanDerWaalsContact O-CB 3.25Å; A547-S551 WeakPolarHBondContact O-CB 3.45Å; A547-S551 PolarHBondContact O-N 3.48Å; A547-S551 PolarHBondContact O-OG 2.71Å; Y548-S551 VanDerWaalsContact CA-OG 3.3Å; Y548-S551 WeakPolarHBondContact CA-OG 3.4Å; Y548-S551 PolarHBondContact O-OG 2.72Å; H549-S551 PolarHBondContact O-N 2.78Å; S551-A554 PolarHBondContact O-N 3.47Å; S551-I555 WeakPolarHBondContact O-CB 3.3Å; S551-I555 VanDerWaalsContact O-CG1 3.22Å; S551-I555 WeakPolarHBondContact O-CG1 3.43Å; S551-I555 PolarHBondContact O-N 3.42Å; S551-H693 PolarHBondContact OG-CD2 3.21Å; S551-H693 PolarHBondContact OG-NE2 2.76Å; S551-H693 VanDerWaalsContact OG-NE2 3.08Å
552	G	95.5	Very high	93.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.5	-50.6	172.1	0	0	0	0	0	112.1	Y548 H549 E550 A554 V556 H693	Y548-G552 PolarHBondContact O-N 3.47Å; H549-G552 WeakPolarHBondContact O-CA 3.09Å; H549-G552 PolarHBondContact O-N 2.74Å; E550-G552 PolarHBondContact O-N 3.41Å; G552-A554 PolarHBondContact O-N 3.24Å; G552-V556 WeakPolarHBondContact O-CG2 3.28Å; G552-V556 PolarHBondContact O-N 3.38Å; G552-V556 VanDerWaalsContact O-N 3.14Å; G552-H693 PolarHBondContact N-NE2 3.08Å
553	H	95.6	Very high	94	Very high	14 Å²	14	31.9 Å²	31.9	7%	0.065	15%	0.149	C	C	.	.	H	α-helix	trans	-58.5	-46.3	173.7	-68.4	-59.1	0	0	0	111.9	H549 E550 V556 A557 V581 V603 S604 G607 D627	H549-H553 AromaticContact CD2-CD2 3.67Å; H549-H553 AromaticContact CD2-NE2 3.46Å; H549-H553 PolarHBondContact CD2-NE2 2.85Å; H549-H553 AromaticContact NE2-CD2 3.87Å; H549-H553 AromaticContact NE2-NE2 3.16Å; H549-H553 PolarHBondContact NE2-NE2 2.94Å; H549-H553 VanDerWaalsContact NE2-NE2 3.16Å; H549-H553 PolarHBondContact O-N 3.36Å; E550-H553 PolarHBondContact O-N 3.28Å; H553-V556 PolarHBondContact O-N 2.71Å; H553-A557 VanDerWaalsContact O-CB 3.3Å; H553-A557 WeakPolarHBondContact O-CB 3.49Å; H553-A557 PolarHBondContact O-N 3.11Å; H553-V581 HydrophobicContact CB-CB 4.25Å; H553-V581 HydrophobicContact CB-CG2 3.86Å; H553-V603 HydrophobicContact CB-CG1 4.45Å; H553-V603 PolarHBondContact CE1-O 3.24Å; H553-V603 PolarHBondContact ND1-O 2.85Å; H553-S604 PolarHBondContact CE1-O 2.98Å; H553-G607 PolarHBondContact CE1-N 3.43Å; H553-D627 IonicContact CE1-OD2 2.61Å; H553-D627 IonicContact NE2-OD2 3.44Å
554	A	95.2	Very high	93.9	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-63.2	-45.1	-178.5	0	0	0	0	0	112.5	E550 S551 G552 A557 Y558 I566 V581 L696	E550-A554 PolarHBondContact O-N 3.07Å; S551-A554 PolarHBondContact O-N 3.47Å; G552-A554 PolarHBondContact O-N 3.24Å; A554-A557 PolarHBondContact O-N 3.25Å; A554-Y558 WeakPolarHBondContact O-CB 3.35Å; A554-Y558 PolarHBondContact O-N 3.44Å; A554-I566 HydrophobicContact CB-CD1 4.12Å; A554-I566 WeakPolarHBondContact O-CD1 3.3Å; A554-V581 HydrophobicContact CB-CG1 4.47Å; A554-V581 HydrophobicContact CB-CG2 4.35Å; A554-L696 HydrophobicContact CB-CD2 3.73Å
555	I	95.4	Very high	93.8	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.8	-44.6	179.3	-68.8	-69.9	0	0	0	111	S551 A557 Y558 Y559 I685 L686 E692 H693 L696 L715	S551-I555 WeakPolarHBondContact O-CB 3.3Å; S551-I555 VanDerWaalsContact O-CG1 3.22Å; S551-I555 WeakPolarHBondContact O-CG1 3.43Å; S551-I555 PolarHBondContact O-N 3.42Å; I555-A557 VanDerWaalsContact C-N 3.34Å; I555-A557 PolarHBondContact O-N 3.14Å; I555-Y558 PolarHBondContact O-N 3.07Å; I555-Y559 HydrophobicContact CD1-CE2 4.37Å; I555-Y559 HydrophobicContact CG2-CD2 3.84Å; I555-Y559 HydrophobicContact CG2-CE2 4.07Å; I555-Y559 WeakPolarHBondContact O-CD2 3.02Å; I555-Y559 PolarHBondContact O-N 3.07Å; I555-Y559 VanDerWaalsContact O-N 3.13Å; I555-I685 HydrophobicContact CG2-CG2 4.45Å; I555-L686 HydrophobicContact CB-CD2 3.98Å; I555-L686 HydrophobicContact CG2-CD2 3.82Å; I555-E692 HydrophobicContact CD1-CB 4.09Å; I555-H693 HydrophobicContact CG1-CB 4.15Å; I555-L696 HydrophobicContact CD1-CD2 4.1Å; I555-L696 HydrophobicContact CG1-CD2 4.11Å; I555-L715 HydrophobicContact CD1-CD2 3.47Å; I555-L715 VanDerWaalsContact CD1-CD2 3.47Å
556	V	96.1	Very high	93.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.5	-41.1	179	178.4	0	0	0	0	110.9	G552 H553 Y558 T560 D602 V603 A682 I685 L686	G552-V556 WeakPolarHBondContact O-CG2 3.28Å; G552-V556 PolarHBondContact O-N 3.38Å; G552-V556 VanDerWaalsContact O-N 3.14Å; H553-V556 PolarHBondContact O-N 2.71Å; V556-Y558 VanDerWaalsContact C-N 3.34Å; V556-Y558 PolarHBondContact O-N 3.44Å; V556-T560 WeakPolarHBondContact O-CB 3.37Å; V556-T560 PolarHBondContact O-N 3.43Å; V556-T560 VanDerWaalsContact O-N 3.16Å; V556-T560 PolarHBondContact O-OG1 3.1Å; V556-D602 HydrophobicContact CG1-CB 4.09Å; V556-D602 WeakPolarHBondContact CG1-O 3.32Å; V556-V603 HydrophobicContact CG1-CG2 4.21Å; V556-A682 HydrophobicContact CG2-CB 4.32Å; V556-I685 HydrophobicContact CG1-CD1 4.3Å; V556-I685 HydrophobicContact CG2-CG2 4.37Å; V556-L686 HydrophobicContact CG2-CD1 4.12Å; V556-L686 HydrophobicContact CG2-CD2 4.22Å; V556-L686 HydrophobicContact CG2-CG 3.91Å
557	A	95.1	Very high	93.4	Very high	6 Å²	6	33 Å²	33	5%	0.05	16%	0.158	C	C	.	.	H	α-helix	trans	-63.9	-38.9	176.1	0	0	0	0	0	112.3	H553 A554 I555 A563 I566 M583 V603	H553-A557 VanDerWaalsContact O-CB 3.3Å; H553-A557 WeakPolarHBondContact O-CB 3.49Å; H553-A557 PolarHBondContact O-N 3.11Å; A554-A557 PolarHBondContact O-N 3.25Å; I555-A557 VanDerWaalsContact C-N 3.34Å; I555-A557 PolarHBondContact O-N 3.14Å; A557-A563 WeakPolarHBondContact O-CB 3.47Å; A557-I566 HydrophobicContact CB-CD1 3.93Å; A557-I566 HydrophobicContact CB-CG1 3.79Å; A557-M583 HydrophobicContact CB-SD 4.36Å; A557-V603 HydrophobicContact CB-CG1 4.23Å; A557-V603 HydrophobicContact CB-CG2 3.7Å
558	Y	93.8	Very high	93.2	Very high	102 Å²	102	34 Å²	34	40%	0.4	16%	0.162	S	C	.	.	H	α-helix	trans	-69.3	-41.2	-177.8	-172.3	-96.7	0	0	0	113.3	A554 I555 V556 L715	A554-Y558 WeakPolarHBondContact O-CB 3.35Å; A554-Y558 PolarHBondContact O-N 3.44Å; I555-Y558 PolarHBondContact O-N 3.07Å; V556-Y558 VanDerWaalsContact C-N 3.34Å; V556-Y558 PolarHBondContact O-N 3.44Å; Y558-L715 HydrophobicContact CD1-CD1 3.74Å; Y558-L715 HydrophobicContact CD2-CD1 3.92Å; Y558-L715 HydrophobicContact CE1-CD1 3.83Å; Y558-L715 HydrophobicContact CE2-CD1 4.01Å; Y558-L715 HydrophobicContact CG-CD1 3.78Å
559	Y	94.1	Very high	93	Very high	74 Å²	74	33 Å²	33	29%	0.29	16%	0.158	S	C	.	.	H	α-helix	trans	-89.9	-10.4	-176.3	-72.4	-70.1	0	0	0	114.4	I555 Y689	I555-Y559 HydrophobicContact CD1-CE2 4.37Å; I555-Y559 HydrophobicContact CG2-CD2 3.84Å; I555-Y559 HydrophobicContact CG2-CE2 4.07Å; I555-Y559 WeakPolarHBondContact O-CD2 3.02Å; I555-Y559 PolarHBondContact O-N 3.07Å; I555-Y559 VanDerWaalsContact O-N 3.13Å; Y559-Y689 HydrophobicContact CD1-CD2 4.19Å; Y559-Y689 HydrophobicContact CD1-CE1 4.02Å; Y559-Y689 AromaticContact CD1-CE2 3.62Å; Y559-Y689 HydrophobicContact CD1-CE2 3.62Å; Y559-Y689 AromaticContact CD1-CZ 3.51Å; Y559-Y689 HydrophobicContact CD2-CD1 4.41Å; Y559-Y689 AromaticContact CD2-CD2 3.56Å; Y559-Y689 HydrophobicContact CD2-CD2 3.56Å; Y559-Y689 AromaticContact CD2-CE2 3.83Å; Y559-Y689 HydrophobicContact CD2-CE2 3.83Å; Y559-Y689 AromaticContact CD2-CG 3.87Å; Y559-Y689 HydrophobicContact CD2-CG 3.87Å; Y559-Y689 AromaticContact CE1-CD1 3.92Å; Y559-Y689 HydrophobicContact CE1-CD1 3.92Å; Y559-Y689 HydrophobicContact CE1-CD2 4.34Å; Y559-Y689 AromaticContact CE1-CE1 3.49Å; Y559-Y689 HydrophobicContact CE1-CE1 3.49Å; Y559-Y689 VanDerWaalsContact CE1-CE1 3.49Å; Y559-Y689 AromaticContact CE1-CE2 3.95Å; Y559-Y689 HydrophobicContact CE1-CE2 3.95Å; Y559-Y689 HydrophobicContact CE1-CG 4.32Å; Y559-Y689 AromaticContact CE1-CZ 3.49Å; Y559-Y689 VanDerWaalsContact CE1-CZ 3.49Å; Y559-Y689 AromaticContact CE2-CD1 3.77Å; Y559-Y689 HydrophobicContact CE2-CD1 3.77Å; Y559-Y689 AromaticContact CE2-CD2 3.74Å; Y559-Y689 HydrophobicContact CE2-CD2 3.74Å; Y559-Y689 HydrophobicContact CE2-CE1 4.19Å; Y559-Y689 HydrophobicContact CE2-CE2 4.16Å; Y559-Y689 AromaticContact CE2-CG 3.52Å; Y559-Y689 HydrophobicContact CE2-CG 3.52Å; Y559-Y689 AromaticContact CG-CD2 3.8Å; Y559-Y689 HydrophobicContact CG-CD2 3.8Å; Y559-Y689 AromaticContact CG-CE2 3.55Å; Y559-Y689 HydrophobicContact CG-CE2 3.55Å; Y559-Y689 HydrophobicContact CG-CG 4.4Å; Y559-Y689 AromaticContact CG-CZ 3.97Å; Y559-Y689 AromaticContact CZ-CD1 3.48Å; Y559-Y689 VanDerWaalsContact CZ-CD1 3.48Å; Y559-Y689 AromaticContact CZ-CE1 3.58Å; Y559-Y689 AromaticContact CZ-CG 3.76Å; Y559-Y689 AromaticContact CZ-CZ 3.93Å
560	T	94.6	Very high	92.8	Very high	22 Å²	22	32.5 Å²	32.5	14%	0.135	16%	0.156	C	C	.	.			trans	-86.5	116.2	178.1	-58	0	0	0	0	110.1	V556 D562 A563 A599	V556-T560 WeakPolarHBondContact O-CB 3.37Å; V556-T560 PolarHBondContact O-N 3.43Å; V556-T560 VanDerWaalsContact O-N 3.16Å; V556-T560 PolarHBondContact O-OG1 3.1Å; T560-D562 VanDerWaalsContact C-N 3.31Å; T560-D562 PolarHBondContact O-N 3.1Å; T560-A563 HydrophobicContact CG2-CB 4.11Å; T560-A563 WeakPolarHBondContact O-CB 3.49Å; T560-A563 PolarHBondContact O-N 3.4Å; T560-A563 VanDerWaalsContact O-N 3.11Å; T560-A599 HydrophobicContact CG2-CB 3.5Å; T560-A599 VanDerWaalsContact CG2-CB 3.5Å
561	K	89.6	Confident	92.7	Very high	198 Å²	198	32.1 Å²	32.1	86%	0.861	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-41	-171.7	-176.6	-176.1	175.1	-172.3	0	115
562	D	90.8	Very high	92.3	Very high	64 Å²	64	33.3 Å²	33.3	34%	0.342	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	8	-174.9	-61.8	-66.9	0	0	0	113.1	T560 A595 Q596 A599	T560-D562 VanDerWaalsContact C-N 3.31Å; T560-D562 PolarHBondContact O-N 3.1Å; D562-A595 HydrophobicContact CB-CB 4.31Å; D562-Q596 HydrophobicContact CB-CG 4.14Å; D562-A599 HydrophobicContact CB-CB 4.3Å
563	A	90.8	Very high	91.9	Very high	14 Å²	14	33.8 Å²	33.8	12%	0.116	16%	0.164	C	C	.	.	S	Bend	trans	-71	159.2	175.7	0	0	0	0	0	111.5	A557 T560 A599 V603	A557-A563 WeakPolarHBondContact O-CB 3.47Å; T560-A563 HydrophobicContact CG2-CB 4.11Å; T560-A563 WeakPolarHBondContact O-CB 3.49Å; T560-A563 PolarHBondContact O-N 3.4Å; T560-A563 VanDerWaalsContact O-N 3.11Å; A563-A599 HydrophobicContact CB-CB 4.16Å; A563-V603 HydrophobicContact CB-CG2 4.21Å
564	M	89.5	Confident	91.3	Very high	42 Å²	42	33.7 Å²	33.7	21%	0.207	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-71.9	139.2	174.8	-64.5	-169.3	-165.3	0	0	110.2	M583 Q600	M564-M583 HydrophobicContact CB-CB 3.79Å; M564-M583 HydrophobicContact CB-CG 4.3Å; M564-M583 HydrophobicContact CB-SD 4.09Å; M564-Q600 VanDerWaalsContact CE-NE2 3.33Å
565	P	90.3	Very high	90.7	Very high	55 Å²	55	34.8 Å²	34.8	36%	0.357	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-57.7	139.4	176.2	-24.9	34	0	0	0	112.2	M583 L584 E586	P565-M583 CarbonylContact O-C 3.51Å; P565-M583 VanDerWaalsContact O-CA 3.27Å; P565-M583 WeakPolarHBondContact O-CA 3.27Å; P565-L584 PolarHBondContact O-N 3.21Å; P565-E586 HydrophobicContact CG-CG 4.49Å
566	I	91.4	Very high	89.9	Confident	22 Å²	22	41 Å²	41	11%	0.113	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	134.4	177.2	-57.4	162.3	0	0	0	108.6	A554 A557 V581 A708 I711	A554-I566 HydrophobicContact CB-CD1 4.12Å; A554-I566 WeakPolarHBondContact O-CD1 3.3Å; A557-I566 HydrophobicContact CB-CD1 3.93Å; A557-I566 HydrophobicContact CB-CG1 3.79Å; I566-V581 HydrophobicContact CG2-CG1 4.02Å; I566-A708 WeakPolarHBondContact O-CB 3.48Å; I566-I711 HydrophobicContact CG2-CD1 3.69Å
567	N	88.5	Confident	89.2	Confident	28 Å²	28	43.3 Å²	43.3	15%	0.15	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-42.1	174	-175.1	70.5	0	0	0	112.2	S582 L584 A708	N567-S582 PolarHBondContact N-O 2.96Å; N567-L584 HydrophobicContact CB-CB 3.7Å; N567-A708 WeakPolarHBondContact O-CB 3.31Å; N567-A708 PolarHBondContact O-N 3.39Å
568	K	89.4	Confident	88.7	Confident	22 Å²	22	47.2 Å²	47.2	10%	0.096	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	143.8	-173.4	173.5	176.4	165.6	179.1	0	111.1	D525 V581 S582 T705 L706	D525-K568 IonicContact OD2-NZ 2.79Å; D525-K568 PolarHBondContact OD2-NZ 3.25Å; K568-V581 CarbonylContact O-C 3.59Å; K568-S582 PolarHBondContact N-O 3.35Å; K568-S582 PolarHBondContact O-N 3.28Å; K568-T705 HydrophobicContact CD-CG2 4.21Å; K568-T705 VanDerWaalsContact CE-CG2 3.43Å; K568-T705 HydrophobicContact CG-CG2 4.13Å; K568-L706 CarbonylContact C-O 3.59Å; K568-L706 WeakPolarHBondContact CA-O 3.46Å
569	A	92.3	Very high	88.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.5	170.1	0	0	0	0	0	109.8	V581 L700 T705 L706 I711	A569-V581 HydrophobicContact CB-CG2 4.06Å; A569-L700 HydrophobicContact CB-CD2 4.13Å; A569-T705 CarbonylContact O-C 3.58Å; A569-T705 WeakPolarHBondContact O-CA 3.22Å; A569-L706 PolarHBondContact N-O 2.85Å; A569-L706 PolarHBondContact O-N 3.4Å; A569-I711 HydrophobicContact CB-CD1 3.92Å
570	T	91.1	Very high	88.1	Confident	5 Å²	5	42.4 Å²	42.4	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	142.7	178.9	-172.1	0	0	0	0	111.6	M572 G579 H580 E704 T705	T570-M572 WeakPolarHBondContact OG1-CB 3.45Å; T570-M572 PolarHBondContact OG1-N 3.08Å; T570-G579 CarbonylContact O-C 3.59Å; T570-G579 WeakPolarHBondContact O-CA 3.5Å; T570-H580 PolarHBondContact N-O 3.3Å; T570-H580 PolarHBondContact O-N 3.16Å; T570-E704 WeakPolarHBondContact CA-O 3.43Å; T570-E704 PolarHBondContact OG1-O 3.43Å; T570-T705 PolarHBondContact OG1-OG1 2.95Å
571	I	91.6	Very high	87.9	Confident	5 Å²	5	41.8 Å²	41.8	3%	0.026	23%	0.23	C	C	.	.			trans	-104.9	15.4	172.1	61.4	163.8	0	0	0	111.7	K543 T546 A547 E550 L578 L700 L701 E704	K543-I571 HydrophobicContact CD-CD1 4.3Å; K543-I571 VanDerWaalsContact CE-CD1 3.45Å; K543-I571 HydrophobicContact CG-CD1 3.88Å; T546-I571 HydrophobicContact CG2-CB 4.23Å; T546-I571 HydrophobicContact CG2-CG2 4.22Å; A547-I571 HydrophobicContact CB-CD1 4.48Å; A547-I571 HydrophobicContact CB-CG2 4.09Å; E550-I571 HydrophobicContact CB-CG2 4.44Å; E550-I571 HydrophobicContact CG-CG2 4.19Å; I571-L578 CarbonylContact C-O 3.58Å; I571-L578 VanDerWaalsContact O-O 3.09Å; I571-L700 WeakPolarHBondContact CD1-O 3.41Å; I571-L700 HydrophobicContact CG2-CB 4.14Å; I571-L700 HydrophobicContact CG2-CD1 4.33Å; I571-L701 HydrophobicContact CD1-CD2 4.39Å; I571-E704 HydrophobicContact CG1-CB 4.22Å; I571-E704 WeakPolarHBondContact CG1-O 3.43Å; I571-E704 PolarHBondContact N-O 3.05Å
572	M	87.4	Confident	87.8	Confident	26 Å²	26	33 Å²	33	13%	0.128	19%	0.193	C	C	.	.	S	Bend	trans	-82	127.3	176.8	-71.2	-61.1	-59.4	0	0	110.2	E532 R534 T570 R574 L578 E704	E532-M572 HydrophobicContact CG-CE 4.15Å; E532-M572 WeakPolarHBondContact OE1-CE 3.16Å; R534-M572 HydrophobicContact CG-CE 4.48Å; T570-M572 WeakPolarHBondContact OG1-CB 3.45Å; T570-M572 PolarHBondContact OG1-N 3.08Å; M572-R574 PolarHBondContact O-N 3.11Å; M572-L578 CarbonylContact C-O 3.54Å; M572-E704 HydrophobicContact CG-CB 4.21Å; M572-E704 HydrophobicContact SD-CB 4.06Å; M572-E704 HydrophobicContact SD-CG 4.49Å; M572-E704 VanDerWaalsContact SD-OE2 3.42Å
573	P	86.4	Confident	87.8	Confident	10 Å²	10	33.3 Å²	33.3	7%	0.065	19%	0.194	C	C	.	.			trans	-66.8	128.1	-178.8	28.4	-36.5	0	0	0	111.2	R533 I538 T577 L578	R533-P573 HydrophobicContact CB-CB 4.46Å; R533-P573 HydrophobicContact CB-CG 4.28Å; R533-P573 PolarHBondContact N-O 3.21Å; I538-P573 HydrophobicContact CD1-CB 4.17Å; I538-P573 HydrophobicContact CD1-CG 3.83Å; P573-T577 CarbonylContact C-O 3.59Å; P573-T577 WeakPolarHBondContact CA-O 3.43Å; P573-L578 HydrophobicContact CB-CD2 4.41Å
574	R	84.8	Confident	87.5	Confident	12 Å²	12	34 Å²	34	5%	0.045	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-131.1	124.1	177.4	-68.2	-173.7	-179.7	-82.1	-14.8	109.9	M529 E532 M572 P576 T577	M529-R574 HydrophobicContact CB-CB 3.86Å; M529-R574 CarbonylContact O-C 3.36Å; E532-R574 IonicContact OE2-CZ 2.79Å; E532-R574 IonicContact OE2-NH1 2.65Å; E532-R574 IonicContact OE2-NH2 3.14Å; E532-R574 PolarHBondContact OE2-NH2 2.73Å; M572-R574 PolarHBondContact O-N 3.11Å; R574-P576 VanDerWaalsContact O-N 3.13Å; R574-T577 PolarHBondContact N-O 3.06Å; R574-T577 PolarHBondContact O-N 2.97Å; R574-T577 PolarHBondContact O-OG1 3.03Å; R574-T577 VanDerWaalsContact O-OG1 3.06Å
575	G	81.6	Confident	87.2	Confident	24 Å²	24	32.9 Å²	32.9	25%	0.247	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	-120.8	-177	0	0	0	0	0	112.1	M529 P531	M529-G575 WeakPolarHBondContact O-CA 3.34Å; M529-G575 PolarHBondContact O-N 2.78Å; P531-G575 PolarHBondContact O-N 2.88Å
576	P	79	Confident	86.6	Confident	129 Å²	129	36.5 Å²	36.5	84%	0.838	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-11.5	175.7	35.5	-34.1	0	0	0	114.8	R574	R574-P576 VanDerWaalsContact O-N 3.13Å
577	T	81.9	Confident	85.8	Confident	50 Å²	50	40.6 Å²	40.6	31%	0.307	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-92.9	144.6	-176.8	67.8	0	0	0	0	111.6	P573 R574	P573-T577 CarbonylContact C-O 3.59Å; P573-T577 WeakPolarHBondContact CA-O 3.43Å; R574-T577 PolarHBondContact N-O 3.06Å; R574-T577 PolarHBondContact O-N 2.97Å; R574-T577 PolarHBondContact O-OG1 3.03Å; R574-T577 VanDerWaalsContact O-OG1 3.06Å
578	L	83.7	Confident	85.2	Confident	88 Å²	88	40.5 Å²	40.5	46%	0.461	23%	0.225	S	C	.	.	S	Bend	trans	-89.8	-24.5	178.2	-68.4	175	0	0	0	112.8	I538 T546 I571 M572 P573	I538-L578 HydrophobicContact CD1-CD2 4.17Å; T546-L578 HydrophobicContact CG2-CB 4.14Å; I571-L578 CarbonylContact C-O 3.58Å; I571-L578 VanDerWaalsContact O-O 3.09Å; M572-L578 CarbonylContact C-O 3.54Å; P573-L578 HydrophobicContact CB-CD2 4.41Å
579	G	85.7	Confident	84.5	Confident	6 Å²	6	43.9 Å²	43.9	6%	0.062	24%	0.237	C	C	.	.			trans	-154	172.5	174.6	0	0	0	0	0	109.3	E550 T570	E550-G579 VanDerWaalsContact CD-C 3.41Å; E550-G579 WeakPolarHBondContact OE1-CA 3.45Å; T570-G579 CarbonylContact O-C 3.59Å; T570-G579 WeakPolarHBondContact O-CA 3.5Å
580	H	89.6	Confident	83.7	Confident	69 Å²	69	54.6 Å²	54.6	32%	0.319	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	141.2	173.6	-175.3	76.3	0	0	0	112.3	M529 E550 T570 S582	M529-H580 HydrophobicContact CE-CB 4.35Å; M529-H580 WeakPolarHBondContact CE-CD2 3.2Å; M529-H580 WeakPolarHBondContact CE-NE2 3.33Å; M529-H580 HydrophobicContact SD-CB 3.97Å; E550-H580 VanDerWaalsContact CD-N 3.34Å; E550-H580 VanDerWaalsContact OE2-C 3.26Å; E550-H580 VanDerWaalsContact OE2-CA 3.25Å; E550-H580 WeakPolarHBondContact OE2-CA 3.49Å; E550-H580 PolarHBondContact OE2-N 3.36Å; T570-H580 PolarHBondContact N-O 3.3Å; T570-H580 PolarHBondContact O-N 3.16Å; H580-S582 PolarHBondContact CD2-N 2.89Å
581	V	90.6	Very high	83.4	Confident	9 Å²	9	59.1 Å²	59.1	6%	0.055	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	111.9	165	-177.6	0	0	0	0	110.3	E550 H553 A554 I566 K568 A569	E550-V581 HydrophobicContact CB-CG2 4.13Å; E550-V581 VanDerWaalsContact O-CG2 3.24Å; E550-V581 WeakPolarHBondContact O-CG2 3.45Å; E550-V581 PolarHBondContact OE2-N 3.09Å; H553-V581 HydrophobicContact CB-CB 4.25Å; H553-V581 HydrophobicContact CB-CG2 3.86Å; A554-V581 HydrophobicContact CB-CG1 4.47Å; A554-V581 HydrophobicContact CB-CG2 4.35Å; I566-V581 HydrophobicContact CG2-CG1 4.02Å; K568-V581 CarbonylContact O-C 3.59Å; A569-V581 HydrophobicContact CB-CG2 4.06Å
582	S	88.4	Confident	83.3	Confident	14 Å²	14	62.4 Å²	62.4	10%	0.098	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.5	174.4	179.7	0	0	0	0	110	N567 K568 H580	N567-S582 PolarHBondContact N-O 2.96Å; K568-S582 PolarHBondContact N-O 3.35Å; K568-S582 PolarHBondContact O-N 3.28Å; H580-S582 PolarHBondContact CD2-N 2.89Å
583	M	89	Confident	83.6	Confident	70 Å²	70	64.6 Å²	64.6	35%	0.345	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	143.8	170.3	-66.9	170.6	-82.3	0	0	109.6	A557 M564 P565 V603	A557-M583 HydrophobicContact CB-SD 4.36Å; M564-M583 HydrophobicContact CB-CB 3.79Å; M564-M583 HydrophobicContact CB-CG 4.3Å; M564-M583 HydrophobicContact CB-SD 4.09Å; P565-M583 CarbonylContact O-C 3.51Å; P565-M583 VanDerWaalsContact O-CA 3.27Å; P565-M583 WeakPolarHBondContact O-CA 3.27Å; M583-V603 HydrophobicContact CE-CG1 4.03Å; M583-V603 HydrophobicContact SD-CG1 4.15Å
584	L	85	Confident	83.9	Confident	27 Å²	27	69.4 Å²	69.4	14%	0.141	36%	0.356	C	S	.	.			trans	-122.1	117.7	-178.9	-174.3	73.4	0	0	0	109.5	R486 P565 N567	R486-L584 HydrophobicContact CB-CD1 3.71Å; R486-L584 HydrophobicContact CB-CD2 4.31Å; R486-L584 HydrophobicContact CB-CG 4.09Å; P565-L584 PolarHBondContact O-N 3.21Å; N567-L584 HydrophobicContact CB-CB 3.7Å
585	P	83	Confident	84.4	Confident	20 Å²	20	70.9 Å²	70.9	13%	0.13	37%	0.371	C	S	.	.			trans	-70.9	147.2	173	29.4	-32.7	0	0	0	110.8	V489	V489-P585 HydrophobicContact CG2-CG 3.91Å
586	E	78.1	Confident	85	Confident	130 Å²	130	71.2 Å²	71.2	61%	0.607	37%	0.366	S	S	*	.	S	Bend	trans	-68.6	-40.5	174	-64.5	-178	167.6	0	0	111.3	R486 P565	R486-E586 WeakPolarHBondContact CD-O 3.48Å; R486-E586 PolarHBondContact NE-O 2.81Å; P565-E586 HydrophobicContact CG-CG 4.49Å
587	D	74.8	Confident	85.7	Confident	108 Å²	108	65.3 Å²	65.3	58%	0.578	33%	0.327	S	S	*	.	S	Bend	trans	-137.7	155.5	-179.9	-67	-44.1	0	0	0	111.6	R589	D587-R589 PolarHBondContact O-N 3.39Å; D587-R589 VanDerWaalsContact O-N 3.16Å
588	D	75.4	Confident	86.4	Confident	26 Å²	26	64 Å²	64	14%	0.139	32%	0.318	C	S	.	.			trans	-65.1	112.9	170.5	-78.6	-8.8	0	0	0	109	V459 R462	V459-D588 HydrophobicContact CG2-CB 3.83Å; V459-D588 WeakPolarHBondContact CG2-OD1 3.38Å; V459-D588 WeakPolarHBondContact CG2-OD2 3.47Å; V459-D588 PolarHBondContact N-OD2 2.82Å; V459-D588 VanDerWaalsContact N-OD2 3.13Å; R462-D588 IonicContact CZ-OD1 3.77Å; R462-D588 IonicContact CZ-OD2 2.76Å; R462-D588 IonicContact NH1-OD1 3.72Å; R462-D588 IonicContact NH1-OD2 3.82Å; R462-D588 PolarHBondContact NH1-OD2 2.78Å; R462-D588 VanDerWaalsContact NH2-CG 3.32Å; R462-D588 IonicContact NH2-OD1 3.39Å; R462-D588 PolarHBondContact NH2-OD1 2.95Å; R462-D588 IonicContact NH2-OD2 2.7Å; R462-D588 PolarHBondContact NH2-OD2 2.98Å
589	R	74.6	Confident	87	Confident	93 Å²	93	59.9 Å²	59.9	35%	0.351	30%	0.297	S	S	.	.			trans	-88.2	121.1	-179.5	-60.9	-179.9	-177	174.6	0.3	110	D587	D587-R589 PolarHBondContact O-N 3.39Å; D587-R589 VanDerWaalsContact O-N 3.16Å
590	W	76.2	Confident	87.4	Confident	226 Å²	226	61.6 Å²	61.6	86%	0.856	30%	0.304	S	S	*	.	S	Bend	trans	-79.8	-24.9	171.3	-64.2	-82.4	0	0	0	113.4
591	S	85	Confident	87.7	Confident	100 Å²	100	58.3 Å²	58.3	70%	0.699	29%	0.288	S	S	*	.	S	Bend	trans	-141.2	143	-178.8	60.5	0	0	0	0	110.9
592	E	89.5	Confident	88	Confident	74 Å²	74	58.3 Å²	58.3	35%	0.346	29%	0.288	S	S	.	.			trans	-113.2	141.3	178.6	-61.9	-172.5	130.9	0	0	111.2	L597 Q600	E592-L597 HydrophobicContact CB-CD2 4.11Å; E592-L597 HydrophobicContact CB-CG 4.22Å; E592-L597 WeakPolarHBondContact OE2-CD2 3.41Å; E592-Q600 PolarHBondContact OE1-NE2 3.28Å
593	T	93.1	Very high	88.4	Confident	72 Å²	72	58 Å²	58	44%	0.442	29%	0.286	S	S	.	.			trans	-83	159	177.2	72	0	0	0	0	111.1	A595 Q596 L597	T593-A595 PolarHBondContact O-N 3.07Å; T593-Q596 PolarHBondContact O-N 3.3Å; T593-Q596 VanDerWaalsContact O-N 3.1Å; T593-Q596 WeakPolarHBondContact OG1-CG 3.38Å; T593-Q596 PolarHBondContact OG1-N 3.42Å; T593-L597 PolarHBondContact O-N 3.02Å
594	R	93.6	Very high	88.7	Confident	111 Å²	111	55.9 Å²	55.9	42%	0.419	28%	0.278	S	S	.	.	H	α-helix	trans	-54	-39.6	173.5	-174	178.5	-177	-85.6	-0.7	111.9	L597 L598 M638 M644	R594-L597 PolarHBondContact O-N 3.41Å; R594-L598 HydrophobicContact CG-CD1 4.32Å; R594-L598 VanDerWaalsContact O-CG 3.28Å; R594-L598 WeakPolarHBondContact O-CG 3.3Å; R594-L598 PolarHBondContact O-N 3.27Å; R594-M638 HydrophobicContact CG-CE 3.86Å; R594-M644 HydrophobicContact CB-CE 4.38Å; R594-M644 HydrophobicContact CB-SD 3.86Å; R594-M644 HydrophobicContact CG-SD 4.04Å
595	A	94.3	Very high	89.2	Confident	42 Å²	42	54.7 Å²	54.7	35%	0.347	27%	0.271	S	S	.	.	H	α-helix	trans	-65.1	-40.4	179	0	0	0	0	0	112.2	D562 T593 L598 A599	D562-A595 HydrophobicContact CB-CB 4.31Å; T593-A595 PolarHBondContact O-N 3.07Å; A595-L598 PolarHBondContact O-N 2.97Å; A595-A599 WeakPolarHBondContact O-CB 3.11Å; A595-A599 PolarHBondContact O-N 3Å
596	Q	93.8	Very high	89.8	Confident	32 Å²	32	53.8 Å²	53.8	15%	0.15	27%	0.265	C	S	.	.	H	α-helix	trans	-66.7	-41.6	176.4	-71.3	168.7	-15	0	0	112.1	D562 T593 L598 A599 Q600	D562-Q596 HydrophobicContact CB-CG 4.14Å; T593-Q596 PolarHBondContact O-N 3.3Å; T593-Q596 VanDerWaalsContact O-N 3.1Å; T593-Q596 WeakPolarHBondContact OG1-CG 3.38Å; T593-Q596 PolarHBondContact OG1-N 3.42Å; Q596-L598 VanDerWaalsContact C-N 3.35Å; Q596-A599 WeakPolarHBondContact O-CB 3.31Å; Q596-A599 PolarHBondContact O-N 2.94Å; Q596-Q600 WeakPolarHBondContact O-CG 3.39Å; Q596-Q600 PolarHBondContact O-N 2.97Å
597	L	95.2	Very high	90.6	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-63.8	-41.3	175.9	-66.2	174.5	0	0	0	111.6	E592 T593 R594 A599 Q600 M601 I634 M638 F642 M644	E592-L597 HydrophobicContact CB-CD2 4.11Å; E592-L597 HydrophobicContact CB-CG 4.22Å; E592-L597 WeakPolarHBondContact OE2-CD2 3.41Å; T593-L597 PolarHBondContact O-N 3.02Å; R594-L597 PolarHBondContact O-N 3.41Å; L597-A599 VanDerWaalsContact C-N 3.35Å; L597-Q600 PolarHBondContact O-N 3.44Å; L597-M601 WeakPolarHBondContact O-CG 3.41Å; L597-M601 PolarHBondContact O-N 2.97Å; L597-I634 HydrophobicContact CB-CG2 4.09Å; L597-I634 HydrophobicContact CD2-CG2 4.08Å; L597-M638 HydrophobicContact CB-CE 4.17Å; L597-M638 HydrophobicContact CB-CG 4.24Å; L597-M638 HydrophobicContact CB-SD 3.78Å; L597-M638 HydrophobicContact CD1-CG 3.7Å; L597-M638 HydrophobicContact CD1-SD 4.34Å; L597-F642 HydrophobicContact CD1-CD2 3.76Å; L597-F642 HydrophobicContact CD1-CE2 3.86Å; L597-M644 HydrophobicContact CD1-CE 3.79Å; L597-M644 HydrophobicContact CD1-SD 3.72Å
598	L	96	Very high	91.5	Very high	22 Å²	22	44.2 Å²	44.2	12%	0.115	22%	0.216	C	C	.	.	H	α-helix	trans	-63.5	-41.1	173.2	-70.3	175.1	0	0	0	111.7	R594 A595 Q596 Q600 M601 D602 M638 L674	R594-L598 HydrophobicContact CG-CD1 4.32Å; R594-L598 VanDerWaalsContact O-CG 3.28Å; R594-L598 WeakPolarHBondContact O-CG 3.3Å; R594-L598 PolarHBondContact O-N 3.27Å; A595-L598 PolarHBondContact O-N 2.97Å; Q596-L598 VanDerWaalsContact C-N 3.35Å; L598-Q600 VanDerWaalsContact C-N 3.34Å; L598-Q600 PolarHBondContact O-N 2.93Å; L598-M601 WeakPolarHBondContact O-CB 3.23Å; L598-M601 PolarHBondContact O-N 3.43Å; L598-D602 PolarHBondContact O-N 3.22Å; L598-M638 HydrophobicContact CD2-CE 4Å; L598-M638 HydrophobicContact CG-CE 4.14Å; L598-L674 HydrophobicContact CD2-CD2 4.36Å
599	A	95.5	Very high	92.5	Very high	3 Å²	3	43 Å²	43	3%	0.025	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-41.2	176.1	0	0	0	0	0	112	T560 D562 A563 A595 Q596 L597 D602 V603	T560-A599 HydrophobicContact CG2-CB 3.5Å; T560-A599 VanDerWaalsContact CG2-CB 3.5Å; D562-A599 HydrophobicContact CB-CB 4.3Å; A563-A599 HydrophobicContact CB-CB 4.16Å; A595-A599 WeakPolarHBondContact O-CB 3.11Å; A595-A599 PolarHBondContact O-N 3Å; Q596-A599 WeakPolarHBondContact O-CB 3.31Å; Q596-A599 PolarHBondContact O-N 2.94Å; L597-A599 VanDerWaalsContact C-N 3.35Å; A599-D602 PolarHBondContact O-N 3.25Å; A599-V603 WeakPolarHBondContact O-CG2 3.14Å; A599-V603 PolarHBondContact O-N 3.17Å
600	Q	94.6	Very high	93.5	Very high	41 Å²	41	38.6 Å²	38.6	19%	0.192	19%	0.192	C	C	.	.	H	α-helix	trans	-61.8	-43.8	174	-71.9	174.7	24.8	0	0	111.8	M564 E592 Q596 L597 L598 D602 V603 S604 I634	M564-Q600 VanDerWaalsContact CE-NE2 3.33Å; E592-Q600 PolarHBondContact OE1-NE2 3.28Å; Q596-Q600 WeakPolarHBondContact O-CG 3.39Å; Q596-Q600 PolarHBondContact O-N 2.97Å; L597-Q600 PolarHBondContact O-N 3.44Å; L598-Q600 VanDerWaalsContact C-N 3.34Å; L598-Q600 PolarHBondContact O-N 2.93Å; Q600-D602 VanDerWaalsContact C-N 3.34Å; Q600-D602 PolarHBondContact O-N 3.02Å; Q600-V603 PolarHBondContact O-N 2.93Å; Q600-S604 PolarHBondContact O-N 3.06Å; Q600-S604 PolarHBondContact O-OG 3.2Å; Q600-I634 HydrophobicContact CB-CD1 3.98Å
601	M	96.1	Very high	94.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.7	-42.4	175	-69.4	177.2	59.2	0	0	112	L597 L598 V603 S604 M605 I634 A635 M638 L674 L675	L597-M601 WeakPolarHBondContact O-CG 3.41Å; L597-M601 PolarHBondContact O-N 2.97Å; L598-M601 WeakPolarHBondContact O-CB 3.23Å; L598-M601 PolarHBondContact O-N 3.43Å; M601-V603 VanDerWaalsContact C-N 3.34Å; M601-V603 PolarHBondContact O-N 2.92Å; M601-S604 PolarHBondContact O-N 3.18Å; M601-M605 WeakPolarHBondContact O-CG 3.44Å; M601-M605 PolarHBondContact O-N 2.98Å; M601-M605 VanDerWaalsContact O-N 3.09Å; M601-I634 HydrophobicContact CG-CB 4.07Å; M601-I634 HydrophobicContact CG-CG2 3.73Å; M601-I634 HydrophobicContact SD-CG2 3.97Å; M601-A635 HydrophobicContact CE-CB 3.8Å; M601-A635 HydrophobicContact SD-CB 4.12Å; M601-M638 HydrophobicContact SD-SD 3.82Å; M601-L674 HydrophobicContact CE-CB 4.03Å; M601-L675 HydrophobicContact CE-CD2 3.71Å; M601-L675 HydrophobicContact CE-CG 4.21Å
602	D	96.8	Very high	94.9	Very high	10 Å²	10	24.6 Å²	24.6	5%	0.053	13%	0.126	C	C	.	.	H	α-helix	trans	-60.7	-45.2	177.9	-66.4	-9	0	0	0	110.4	V556 L598 A599 Q600 M605 G606 S678 R681	V556-D602 HydrophobicContact CG1-CB 4.09Å; V556-D602 WeakPolarHBondContact CG1-O 3.32Å; L598-D602 PolarHBondContact O-N 3.22Å; A599-D602 PolarHBondContact O-N 3.25Å; Q600-D602 VanDerWaalsContact C-N 3.34Å; Q600-D602 PolarHBondContact O-N 3.02Å; D602-M605 PolarHBondContact O-N 3.12Å; D602-G606 PolarHBondContact O-N 2.78Å; D602-S678 WeakPolarHBondContact OD1-CA 3.37Å; D602-S678 WeakPolarHBondContact OD1-CB 3.47Å; D602-R681 IonicContact OD1-CZ 2.86Å; D602-R681 VanDerWaalsContact OD1-CZ 3.25Å; D602-R681 IonicContact OD1-NE 3.05Å; D602-R681 PolarHBondContact OD1-NE 3.46Å; D602-R681 IonicContact OD1-NH2 3.88Å; D602-R681 PolarHBondContact OD1-NH2 3.18Å; D602-R681 IonicContact OD2-CZ 2.69Å; D602-R681 IonicContact OD2-NE 2.87Å; D602-R681 PolarHBondContact OD2-NE 3.44Å; D602-R681 IonicContact OD2-NH2 2.69Å
603	V	96.2	Very high	95.1	Very high	7 Å²	7	24 Å²	24	4%	0.042	12%	0.124	C	C	.	.	H	α-helix	trans	-60.4	-46.7	175.3	174.2	0	0	0	0	111	H553 V556 A557 A563 M583 A599 Q600 M601 M605 G606	H553-V603 HydrophobicContact CB-CG1 4.45Å; H553-V603 PolarHBondContact CE1-O 3.24Å; H553-V603 PolarHBondContact ND1-O 2.85Å; V556-V603 HydrophobicContact CG1-CG2 4.21Å; A557-V603 HydrophobicContact CB-CG1 4.23Å; A557-V603 HydrophobicContact CB-CG2 3.7Å; A563-V603 HydrophobicContact CB-CG2 4.21Å; M583-V603 HydrophobicContact CE-CG1 4.03Å; M583-V603 HydrophobicContact SD-CG1 4.15Å; A599-V603 WeakPolarHBondContact O-CG2 3.14Å; A599-V603 PolarHBondContact O-N 3.17Å; Q600-V603 PolarHBondContact O-N 2.93Å; M601-V603 VanDerWaalsContact C-N 3.34Å; M601-V603 PolarHBondContact O-N 2.92Å; V603-M605 PolarHBondContact O-N 3.21Å; V603-G606 PolarHBondContact O-N 2.91Å
604	S	95.6	Very high	95.2	Very high	25 Å²	25	24.2 Å²	24.2	18%	0.175	12%	0.122	C	C	.	.	H	α-helix	trans	-59.1	-30.4	177.4	-64.1	0	0	0	0	113.2	H553 Q600 M601 G606 D627	H553-S604 PolarHBondContact CE1-O 2.98Å; Q600-S604 PolarHBondContact O-N 3.06Å; Q600-S604 PolarHBondContact O-OG 3.2Å; M601-S604 PolarHBondContact O-N 3.18Å; S604-G606 VanDerWaalsContact C-N 3.34Å; S604-D627 WeakPolarHBondContact O-CB 3.49Å
605	M	95.8	Very high	95.1	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.015	11%	0.113	C	C	.	.	H	α-helix	trans	-79.1	-17.2	176.1	-62.7	-58.8	176.3	0	0	113.4	M601 D602 V603 G607 R608 V609 F628 A631 L675 Y679 A682	M601-M605 WeakPolarHBondContact O-CG 3.44Å; M601-M605 PolarHBondContact O-N 2.98Å; M601-M605 VanDerWaalsContact O-N 3.09Å; D602-M605 PolarHBondContact O-N 3.12Å; V603-M605 PolarHBondContact O-N 3.21Å; M605-G607 PolarHBondContact O-N 3.4Å; M605-R608 PolarHBondContact O-N 2.92Å; M605-V609 HydrophobicContact CB-CG2 4.49Å; M605-V609 WeakPolarHBondContact O-CB 3.48Å; M605-V609 VanDerWaalsContact O-CG2 3.26Å; M605-V609 WeakPolarHBondContact O-CG2 3.4Å; M605-V609 PolarHBondContact O-N 3.47Å; M605-V609 VanDerWaalsContact O-N 3.08Å; M605-F628 HydrophobicContact CE-CD1 4.12Å; M605-F628 HydrophobicContact CE-CE1 4.3Å; M605-F628 HydrophobicContact SD-CD1 3.83Å; M605-F628 HydrophobicContact SD-CE1 3.59Å; M605-F628 VanDerWaalsContact SD-CE1 3.59Å; M605-A631 HydrophobicContact CE-CB 3.71Å; M605-L675 HydrophobicContact CE-CB 4.14Å; M605-L675 HydrophobicContact CE-CD2 3.39Å; M605-L675 HydrophobicContact CE-CG 4.35Å; M605-Y679 HydrophobicContact CB-CD2 4.24Å; M605-Y679 HydrophobicContact CG-CD2 4.3Å; M605-Y679 HydrophobicContact SD-CD2 3.95Å; M605-A682 HydrophobicContact CB-CB 4.03Å
606	G	95.4	Very high	95	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.4	-43.7	-172.6	0	0	0	0	0	114.3	D602 V603 S604 V609 A610 L686	D602-G606 PolarHBondContact O-N 2.78Å; V603-G606 PolarHBondContact O-N 2.91Å; S604-G606 VanDerWaalsContact C-N 3.34Å; G606-V609 PolarHBondContact O-N 3.42Å; G606-A610 VanDerWaalsContact O-CB 3.28Å; G606-A610 WeakPolarHBondContact O-CB 3.39Å; G606-A610 PolarHBondContact O-N 2.87Å; G606-L686 WeakPolarHBondContact O-CD1 3.38Å
607	G	94.8	Very high	94.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.6	-51.3	-179.4	0	0	0	0	0	113	H549 H553 M605 V609 A610 E611	H549-G607 WeakPolarHBondContact O-CA 3.41Å; H553-G607 PolarHBondContact CE1-N 3.43Å; M605-G607 PolarHBondContact O-N 3.4Å; G607-V609 PolarHBondContact O-N 2.98Å; G607-A610 PolarHBondContact O-N 3.22Å; G607-E611 PolarHBondContact O-N 3.16Å; G607-E611 VanDerWaalsContact O-N 3.11Å
608	R	94.9	Very high	94.6	Very high	38 Å²	38	33.4 Å²	33.4	14%	0.143	17%	0.174	C	C	.	.	H	α-helix	trans	-58.3	-47.9	175.7	169.3	65.6	83.7	-134.1	14	112	M605 A610 E611 E612 T621 A624 F628 Y679	M605-R608 PolarHBondContact O-N 2.92Å; R608-A610 VanDerWaalsContact C-N 3.29Å; R608-A610 PolarHBondContact O-N 3.47Å; R608-E611 IonicContact NH1-OE2 2.85Å; R608-E611 PolarHBondContact NH1-OE2 2.9Å; R608-E611 VanDerWaalsContact NH1-OE2 3.14Å; R608-E611 WeakPolarHBondContact O-CB 3.34Å; R608-E611 PolarHBondContact O-N 3.17Å; R608-E612 PolarHBondContact O-N 3.03Å; R608-T621 PolarHBondContact NH1-O 3.46Å; R608-T621 PolarHBondContact NH2-O 3.16Å; R608-A624 HydrophobicContact CB-CB 3.92Å; R608-F628 HydrophobicContact CB-CE2 4.27Å; R608-F628 HydrophobicContact CB-CZ 4Å; R608-F628 HydrophobicContact CG-CE2 4.2Å; R608-F628 HydrophobicContact CG-CZ 3.72Å; R608-Y679 HydrophobicContact CB-CE2 4.44Å; R608-Y679 HydrophobicContact CG-CE2 3.75Å; R608-Y679 WeakPolarHBondContact CG-OH 3.4Å
609	V	96.4	Very high	94.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.2	-38.2	-176.7	170.7	0	0	0	0	110.8	M605 G606 G607 E612 L613 Y679 A682 K683 L686	M605-V609 HydrophobicContact CB-CG2 4.49Å; M605-V609 WeakPolarHBondContact O-CB 3.48Å; M605-V609 VanDerWaalsContact O-CG2 3.26Å; M605-V609 WeakPolarHBondContact O-CG2 3.4Å; M605-V609 PolarHBondContact O-N 3.47Å; M605-V609 VanDerWaalsContact O-N 3.08Å; G606-V609 PolarHBondContact O-N 3.42Å; G607-V609 PolarHBondContact O-N 2.98Å; V609-E612 PolarHBondContact O-N 3.27Å; V609-L613 HydrophobicContact CG1-CD1 3.93Å; V609-L613 HydrophobicContact CG1-CG 4.3Å; V609-L613 VanDerWaalsContact O-CG 3.29Å; V609-L613 WeakPolarHBondContact O-CG 3.48Å; V609-L613 PolarHBondContact O-N 3.1Å; V609-Y679 HydrophobicContact CG2-CD1 4.17Å; V609-Y679 HydrophobicContact CG2-CD2 3.76Å; V609-Y679 HydrophobicContact CG2-CE1 3.89Å; V609-Y679 HydrophobicContact CG2-CE2 3.44Å; V609-Y679 VanDerWaalsContact CG2-CE2 3.44Å; V609-Y679 HydrophobicContact CG2-CG 4.11Å; V609-A682 HydrophobicContact CG2-CB 4.21Å; V609-K683 VanDerWaalsContact CG1-CA 3.42Å; V609-K683 HydrophobicContact CG1-CB 3.76Å; V609-K683 HydrophobicContact CG1-CG 4.11Å; V609-L686 HydrophobicContact CB-CD1 3.88Å; V609-L686 HydrophobicContact CG1-CD1 3.58Å
610	A	95.6	Very high	94	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-42.7	174.9	0	0	0	0	0	112.1	Y548 G606 G607 R608 I614 L686	Y548-A610 VanDerWaalsContact O-CB 3.25Å; Y548-A610 WeakPolarHBondContact O-CB 3.47Å; G606-A610 VanDerWaalsContact O-CB 3.28Å; G606-A610 WeakPolarHBondContact O-CB 3.39Å; G606-A610 PolarHBondContact O-N 2.87Å; G607-A610 PolarHBondContact O-N 3.22Å; R608-A610 VanDerWaalsContact C-N 3.29Å; R608-A610 PolarHBondContact O-N 3.47Å; A610-I614 WeakPolarHBondContact O-CG1 3.3Å; A610-I614 PolarHBondContact O-N 2.96Å; A610-L686 HydrophobicContact CB-CD1 4.05Å
611	E	94.3	Very high	93.7	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.009	21%	0.205	C	C	.	.	H	α-helix	trans	-60.5	-47.2	174.1	-68.7	179.7	-179.3	0	0	111.7	I545 H549 G607 R608 L613 I614 F615 T621	I545-E611 HydrophobicContact CG2-CG 4.11Å; H549-E611 HydrophobicContact CB-CG 4.38Å; H549-E611 IonicContact CE1-OE1 2.71Å; H549-E611 IonicContact CG-OE1 3.77Å; H549-E611 IonicContact ND1-OE1 3.03Å; H549-E611 PolarHBondContact ND1-OE1 3.44Å; G607-E611 PolarHBondContact O-N 3.16Å; G607-E611 VanDerWaalsContact O-N 3.11Å; R608-E611 IonicContact NH1-OE2 2.85Å; R608-E611 PolarHBondContact NH1-OE2 2.9Å; R608-E611 VanDerWaalsContact NH1-OE2 3.14Å; R608-E611 WeakPolarHBondContact O-CB 3.34Å; R608-E611 PolarHBondContact O-N 3.17Å; E611-L613 PolarHBondContact O-N 3.5Å; E611-I614 PolarHBondContact O-N 3.32Å; E611-F615 HydrophobicContact CB-CD2 4.31Å; E611-F615 WeakPolarHBondContact O-CB 3.34Å; E611-F615 WeakPolarHBondContact O-CD2 3.48Å; E611-F615 PolarHBondContact O-N 3.3Å; E611-T621 PolarHBondContact OE1-OG1 3.33Å; E611-T621 PolarHBondContact OE2-N 3.3Å; E611-T621 PolarHBondContact OE2-OG1 2.95Å; E611-T621 VanDerWaalsContact OE2-OG1 3.08Å
612	E	94.9	Very high	93.4	Very high	31 Å²	31	44.7 Å²	44.7	15%	0.145	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-46.6	-179.5	-168.5	-164.6	116.2	0	0	111.6	R608 V609 I614 G616 D617 V620 Y679 K683	R608-E612 PolarHBondContact O-N 3.03Å; V609-E612 PolarHBondContact O-N 3.27Å; E612-I614 VanDerWaalsContact C-N 3.34Å; E612-I614 PolarHBondContact O-N 3.44Å; E612-G616 WeakPolarHBondContact O-CA 3.29Å; E612-G616 PolarHBondContact O-N 3.24Å; E612-D617 WeakPolarHBondContact CG-OD1 3.42Å; E612-V620 HydrophobicContact CB-CG2 4.21Å; E612-V620 HydrophobicContact CG-CG2 4.43Å; E612-Y679 WeakPolarHBondContact OE2-CE1 3.44Å; E612-Y679 PolarHBondContact OE2-OH 3.15Å; E612-K683 IonicContact OE1-NZ 3.71Å; E612-K683 PolarHBondContact OE1-NZ 3.32Å
613	L	94.8	Very high	92.8	Very high	61 Å²	61	46.2 Å²	46.2	32%	0.319	26%	0.26	S	S	.	.	H	α-helix	trans	-68	-31.8	-176.3	-70.7	176.2	0	0	0	113.4	V609 E611 K683 L686 K687	V609-L613 HydrophobicContact CG1-CD1 3.93Å; V609-L613 HydrophobicContact CG1-CG 4.3Å; V609-L613 VanDerWaalsContact O-CG 3.29Å; V609-L613 WeakPolarHBondContact O-CG 3.48Å; V609-L613 PolarHBondContact O-N 3.1Å; E611-L613 PolarHBondContact O-N 3.5Å; L613-K683 HydrophobicContact CD2-CG 4.28Å; L613-L686 HydrophobicContact CD1-CB 3.71Å; L613-K687 HydrophobicContact CD1-CG 4.07Å; L613-K687 HydrophobicContact CD2-CG 4.09Å
614	I	94.8	Very high	92.5	Very high	77 Å²	77	45.9 Å²	45.9	40%	0.395	26%	0.259	S	S	.	.	H	α-helix	trans	-96.1	-42.6	-174.4	-59.9	-62.6	0	0	0	112	Y548 A610 E611 E612	Y548-I614 HydrophobicContact CD1-CB 4.39Å; Y548-I614 HydrophobicContact CD1-CD1 4.36Å; Y548-I614 HydrophobicContact CD1-CG1 3.77Å; Y548-I614 HydrophobicContact CD1-CG2 4.14Å; Y548-I614 HydrophobicContact CE1-CD1 4.18Å; Y548-I614 HydrophobicContact CE1-CG1 4.06Å; Y548-I614 HydrophobicContact CE1-CG2 4.12Å; Y548-I614 HydrophobicContact CG-CG2 4.35Å; A610-I614 WeakPolarHBondContact O-CG1 3.3Å; A610-I614 PolarHBondContact O-N 2.96Å; E611-I614 PolarHBondContact O-N 3.32Å; E612-I614 VanDerWaalsContact C-N 3.34Å; E612-I614 PolarHBondContact O-N 3.44Å
615	F	92.5	Very high	92.3	Very high	53 Å²	53	48.1 Å²	48.1	23%	0.232	27%	0.274	C	S	.	.	H	α-helix	trans	-102.5	-12.4	-174.8	-53.1	-68.1	0	0	0	113.5	T544 I545 Y548 E611 N619	T544-F615 HydrophobicContact CG2-CZ 4.27Å; I545-F615 HydrophobicContact CB-CE2 4.16Å; I545-F615 HydrophobicContact CB-CZ 4.36Å; I545-F615 HydrophobicContact CG1-CD2 4.22Å; I545-F615 HydrophobicContact CG1-CE1 4.2Å; I545-F615 HydrophobicContact CG1-CE2 3.78Å; I545-F615 HydrophobicContact CG1-CZ 3.77Å; I545-F615 HydrophobicContact CG2-CE2 4.24Å; Y548-F615 HydrophobicContact CD2-CE2 4.43Å; Y548-F615 AromaticContact CD2-CZ 3.83Å; Y548-F615 HydrophobicContact CD2-CZ 3.83Å; Y548-F615 HydrophobicContact CG-CE2 4.38Å; Y548-F615 HydrophobicContact CG-CZ 4.2Å; E611-F615 HydrophobicContact CB-CD2 4.31Å; E611-F615 WeakPolarHBondContact O-CB 3.34Å; E611-F615 WeakPolarHBondContact O-CD2 3.48Å; E611-F615 PolarHBondContact O-N 3.3Å; F615-N619 HydrophobicContact CB-CB 3.76Å; F615-N619 WeakPolarHBondContact O-CB 3.36Å; F615-N619 PolarHBondContact O-ND2 3.05Å
616	G	92.2	Very high	92	Very high	30 Å²	30	51.1 Å²	51.1	31%	0.309	30%	0.296	S	S	.	.			trans	82.5	162.1	-177.3	0	0	0	0	0	113.5	E612 E618 N619	E612-G616 WeakPolarHBondContact O-CA 3.29Å; E612-G616 PolarHBondContact O-N 3.24Å; G616-E618 VanDerWaalsContact C-N 3.27Å; G616-E618 PolarHBondContact O-N 3.38Å; G616-N619 PolarHBondContact O-N 3.43Å
617	D	90.3	Very high	91.9	Very high	117 Å²	117	52.7 Å²	52.7	63%	0.626	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-55.6	-36.7	-172.3	-60.3	-14.8	0	0	0	113.9	E612 N619 V620	E612-D617 WeakPolarHBondContact CG-OD1 3.42Å; D617-N619 VanDerWaalsContact C-N 3.3Å; D617-N619 PolarHBondContact O-N 3.25Å; D617-V620 WeakPolarHBondContact O-CB 3.36Å; D617-V620 VanDerWaalsContact O-CG2 3.31Å; D617-V620 WeakPolarHBondContact O-CG2 3.24Å
618	E	90.2	Very high	91.9	Very high	182 Å²	182	55.7 Å²	55.7	85%	0.85	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-74	-19.2	-177.6	-62.1	-65.2	159.1	0	0	113.5	G616	G616-E618 VanDerWaalsContact C-N 3.27Å; G616-E618 PolarHBondContact O-N 3.38Å
619	N	87.6	Confident	91.8	Very high	89 Å²	89	59 Å²	59	48%	0.476	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-105.1	10.5	-176.7	-66.9	-57	0	0	0	113.2	F615 G616 D617	F615-N619 HydrophobicContact CB-CB 3.76Å; F615-N619 WeakPolarHBondContact O-CB 3.36Å; F615-N619 PolarHBondContact O-ND2 3.05Å; G616-N619 PolarHBondContact O-N 3.43Å; D617-N619 VanDerWaalsContact C-N 3.3Å; D617-N619 PolarHBondContact O-N 3.25Å
620	V	89.8	Confident	91.7	Very high	44 Å²	44	60.4 Å²	60.4	27%	0.267	35%	0.353	S	S	.	.			trans	-65.6	130.7	177.1	170.8	0	0	0	0	110.3	E612 D617	E612-V620 HydrophobicContact CB-CG2 4.21Å; E612-V620 HydrophobicContact CG-CG2 4.43Å; D617-V620 WeakPolarHBondContact O-CB 3.36Å; D617-V620 VanDerWaalsContact O-CG2 3.31Å; D617-V620 WeakPolarHBondContact O-CG2 3.24Å
621	T	89.6	Confident	91.7	Very high	41 Å²	41	60.4 Å²	60.4	25%	0.252	35%	0.353	S	S	.	.			trans	-91	173.9	-169.7	76.2	0	0	0	0	113.9	I545 R608 E611 G623	I545-T621 HydrophobicContact CD1-CG2 4.28Å; I545-T621 HydrophobicContact CG2-CG2 3.68Å; R608-T621 PolarHBondContact NH1-O 3.46Å; R608-T621 PolarHBondContact NH2-O 3.16Å; E611-T621 PolarHBondContact OE1-OG1 3.33Å; E611-T621 PolarHBondContact OE2-N 3.3Å; E611-T621 PolarHBondContact OE2-OG1 2.95Å; E611-T621 VanDerWaalsContact OE2-OG1 3.08Å; T621-G623 VanDerWaalsContact C-N 3.27Å; T621-G623 PolarHBondContact OG1-N 3.14Å; T621-G623 VanDerWaalsContact OG1-N 3.11Å
622	T	89.3	Confident	91.7	Very high	129 Å²	129	61.9 Å²	61.9	79%	0.791	36%	0.362	S	S	*	.	S	Bend	trans	-82.8	-1.8	169.1	56.2	0	0	0	0	113.2	A624 S625	T622-A624 VanDerWaalsContact C-N 3.31Å; T622-A624 PolarHBondContact O-N 3.04Å; T622-S625 PolarHBondContact O-N 3Å
623	G	85	Confident	91.8	Very high	41 Å²	41	65.5 Å²	65.5	42%	0.423	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-30.3	-174	0	0	0	0	0	114.3	T621 S625	T621-G623 VanDerWaalsContact C-N 3.27Å; T621-G623 PolarHBondContact OG1-N 3.14Å; T621-G623 VanDerWaalsContact OG1-N 3.11Å; G623-S625 PolarHBondContact O-N 3.26Å; G623-S625 VanDerWaalsContact O-N 3.14Å
624	A	89.1	Confident	91.8	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.008	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	3.3	-177.8	0	0	0	0	0	115.2	R608 T622 S626 D627 F628	R608-A624 HydrophobicContact CB-CB 3.92Å; T622-A624 VanDerWaalsContact C-N 3.31Å; T622-A624 PolarHBondContact O-N 3.04Å; A624-S626 VanDerWaalsContact C-N 3.32Å; A624-S626 PolarHBondContact O-N 3.07Å; A624-D627 WeakPolarHBondContact CA-OD2 3.01Å; A624-D627 PolarHBondContact O-N 3.27Å; A624-D627 VanDerWaalsContact O-N 3.17Å; A624-F628 HydrophobicContact CB-CD2 4.08Å; A624-F628 HydrophobicContact CB-CE2 3.83Å; A624-F628 WeakPolarHBondContact O-CD2 3.27Å; A624-F628 PolarHBondContact O-N 2.91Å; A624-F628 VanDerWaalsContact O-N 3.13Å
625	S	90.6	Very high	91.8	Very high	71 Å²	71	60.2 Å²	60.2	50%	0.497	35%	0.351	S	S	.	.	H	α-helix	trans	-61.4	-39.5	-172.5	65.7	0	0	0	0	112.7	T622 G623 D627 F628 D629	T622-S625 PolarHBondContact O-N 3Å; G623-S625 PolarHBondContact O-N 3.26Å; G623-S625 VanDerWaalsContact O-N 3.14Å; S625-D627 VanDerWaalsContact C-N 3.29Å; S625-D627 PolarHBondContact O-N 2.75Å; S625-F628 PolarHBondContact O-N 3Å; S625-D629 PolarHBondContact O-N 3.23Å
626	S	90.3	Very high	91.9	Very high	67 Å²	67	61.6 Å²	61.6	47%	0.469	36%	0.357	S	S	.	.	H	α-helix	trans	-62.9	-36.9	176.9	47.4	0	0	0	0	112.4	A624 D629 G630	A624-S626 VanDerWaalsContact C-N 3.32Å; A624-S626 PolarHBondContact O-N 3.07Å; S626-D629 PolarHBondContact O-N 3.22Å; S626-G630 PolarHBondContact O-N 3.12Å
627	D	93.8	Very high	92	Very high	32 Å²	32	62.9 Å²	62.9	17%	0.171	36%	0.357	C	S	.	.	H	α-helix	trans	-74.5	-37.5	-175.4	-41.1	-40.2	0	0	0	110.1	H549 H553 S604 A624 S625 G630 A631	H549-D627 IonicContact CE1-OD2 3.56Å; H549-D627 IonicContact NE2-OD2 3.64Å; H549-D627 PolarHBondContact NE2-OD2 3.46Å; H553-D627 IonicContact CE1-OD2 2.61Å; H553-D627 IonicContact NE2-OD2 3.44Å; S604-D627 WeakPolarHBondContact O-CB 3.49Å; A624-D627 WeakPolarHBondContact CA-OD2 3.01Å; A624-D627 PolarHBondContact O-N 3.27Å; A624-D627 VanDerWaalsContact O-N 3.17Å; S625-D627 VanDerWaalsContact C-N 3.29Å; S625-D627 PolarHBondContact O-N 2.75Å; D627-G630 PolarHBondContact O-N 3.02Å; D627-A631 WeakPolarHBondContact O-CB 3.38Å; D627-A631 PolarHBondContact O-N 2.68Å
628	F	93.4	Very high	92.2	Very high	63 Å²	63	57.4 Å²	57.4	28%	0.276	33%	0.327	S	S	.	.	H	α-helix	trans	-64.1	-41.7	170.8	-74.5	-59.8	0	0	0	112.9	M605 R608 A624 S625 G630 T632	M605-F628 HydrophobicContact CE-CD1 4.12Å; M605-F628 HydrophobicContact CE-CE1 4.3Å; M605-F628 HydrophobicContact SD-CD1 3.83Å; M605-F628 HydrophobicContact SD-CE1 3.59Å; M605-F628 VanDerWaalsContact SD-CE1 3.59Å; R608-F628 HydrophobicContact CB-CE2 4.27Å; R608-F628 HydrophobicContact CB-CZ 4Å; R608-F628 HydrophobicContact CG-CE2 4.2Å; R608-F628 HydrophobicContact CG-CZ 3.72Å; A624-F628 HydrophobicContact CB-CD2 4.08Å; A624-F628 HydrophobicContact CB-CE2 3.83Å; A624-F628 WeakPolarHBondContact O-CD2 3.27Å; A624-F628 PolarHBondContact O-N 2.91Å; A624-F628 VanDerWaalsContact O-N 3.13Å; S625-F628 PolarHBondContact O-N 3Å; F628-G630 VanDerWaalsContact C-N 3.33Å; F628-T632 WeakPolarHBondContact O-CB 3.34Å; F628-T632 PolarHBondContact O-N 2.97Å; F628-T632 PolarHBondContact O-OG1 3.38Å
629	D	93.6	Very high	92.3	Very high	107 Å²	107	48.7 Å²	48.7	57%	0.572	29%	0.287	S	S	*	.	H	α-helix	trans	-60.2	-47.4	175.5	-76.4	-26	0	0	0	110.1	S625 S626 T632 Q633	S625-D629 PolarHBondContact O-N 3.23Å; S626-D629 PolarHBondContact O-N 3.22Å; D629-T632 PolarHBondContact O-N 2.99Å; D629-Q633 VanDerWaalsContact O-CG 3.29Å; D629-Q633 WeakPolarHBondContact O-CG 3.42Å; D629-Q633 PolarHBondContact O-N 3.37Å
630	G	93.4	Very high	92.5	Very high	31 Å²	31	44.9 Å²	44.9	32%	0.32	27%	0.267	S	S	.	.	H	α-helix	trans	-57	-54.2	175.6	0	0	0	0	0	113	S626 D627 F628 T632 Q633 I634	S626-G630 PolarHBondContact O-N 3.12Å; D627-G630 PolarHBondContact O-N 3.02Å; F628-G630 VanDerWaalsContact C-N 3.33Å; G630-T632 VanDerWaalsContact C-N 3.3Å; G630-T632 PolarHBondContact O-N 3.3Å; G630-Q633 PolarHBondContact O-N 2.97Å; G630-I634 WeakPolarHBondContact O-CG1 3.41Å; G630-I634 PolarHBondContact O-N 3.45Å
631	A	96	Very high	92.6	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.9	-39.3	179	0	0	0	0	0	112.3	M605 D627 I634 A635 L675	M605-A631 HydrophobicContact CE-CB 3.71Å; D627-A631 WeakPolarHBondContact O-CB 3.38Å; D627-A631 PolarHBondContact O-N 2.68Å; A631-I634 PolarHBondContact O-N 2.7Å; A631-A635 WeakPolarHBondContact O-CB 3.41Å; A631-A635 PolarHBondContact O-N 3.25Å; A631-L675 HydrophobicContact CB-CD2 3.78Å
632	T	95.7	Very high	92.7	Very high	33 Å²	33	52.7 Å²	52.7	20%	0.202	29%	0.29	C	S	.	.	H	α-helix	trans	-66.4	-39.1	178.5	-60.7	0	0	0	0	111.4	F628 D629 G630 K636	F628-T632 WeakPolarHBondContact O-CB 3.34Å; F628-T632 PolarHBondContact O-N 2.97Å; F628-T632 PolarHBondContact O-OG1 3.38Å; D629-T632 PolarHBondContact O-N 2.99Å; G630-T632 VanDerWaalsContact C-N 3.3Å; G630-T632 PolarHBondContact O-N 3.3Å; T632-K636 HydrophobicContact CG2-CD 4.12Å; T632-K636 WeakPolarHBondContact O-CB 2.83Å; T632-K636 VanDerWaalsContact O-CG 3.26Å; T632-K636 WeakPolarHBondContact O-CG 2.91Å; T632-K636 PolarHBondContact O-N 3.11Å
633	Q	95.3	Very high	92.8	Very high	106 Å²	106	47.1 Å²	47.1	50%	0.495	26%	0.258	S	S	.	.	H	α-helix	trans	-64.7	-44	174.9	-69.2	-58.3	-29.5	0	0	111.5	D629 G630 K636 L637	D629-Q633 VanDerWaalsContact O-CG 3.29Å; D629-Q633 WeakPolarHBondContact O-CG 3.42Å; D629-Q633 PolarHBondContact O-N 3.37Å; G630-Q633 PolarHBondContact O-N 2.97Å; Q633-K636 PolarHBondContact O-N 3.28Å; Q633-L637 VanDerWaalsContact O-CG 3.32Å; Q633-L637 WeakPolarHBondContact O-CG 3.37Å; Q633-L637 PolarHBondContact O-N 3.32Å
634	I	95.6	Very high	93.1	Very high	27 Å²	27	47.3 Å²	47.3	14%	0.138	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-51.1	176.3	-66.3	167	0	0	0	110.3	L597 Q600 M601 G630 A631 K636 L637 M638	L597-I634 HydrophobicContact CB-CG2 4.09Å; L597-I634 HydrophobicContact CD2-CG2 4.08Å; Q600-I634 HydrophobicContact CB-CD1 3.98Å; M601-I634 HydrophobicContact CG-CB 4.07Å; M601-I634 HydrophobicContact CG-CG2 3.73Å; M601-I634 HydrophobicContact SD-CG2 3.97Å; G630-I634 WeakPolarHBondContact O-CG1 3.41Å; G630-I634 PolarHBondContact O-N 3.45Å; A631-I634 PolarHBondContact O-N 2.7Å; I634-K636 VanDerWaalsContact C-N 3.31Å; I634-K636 PolarHBondContact O-N 3.26Å; I634-L637 PolarHBondContact O-N 3.23Å; I634-L637 VanDerWaalsContact O-N 3.08Å; I634-M638 HydrophobicContact CG2-CG 4.31Å; I634-M638 HydrophobicContact CG2-SD 4Å; I634-M638 WeakPolarHBondContact O-CG 3.14Å; I634-M638 PolarHBondContact O-N 3.35Å
635	A	95.6	Very high	93.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58	-43	178.2	0	0	0	0	0	112	M601 A631 L637 M638 V639 V671 L674 L675	M601-A635 HydrophobicContact CE-CB 3.8Å; M601-A635 HydrophobicContact SD-CB 4.12Å; A631-A635 WeakPolarHBondContact O-CB 3.41Å; A631-A635 PolarHBondContact O-N 3.25Å; A635-L637 PolarHBondContact O-N 3.13Å; A635-M638 PolarHBondContact O-N 3.43Å; A635-V639 VanDerWaalsContact O-CG2 3.27Å; A635-V639 WeakPolarHBondContact O-CG2 3.32Å; A635-V639 PolarHBondContact O-N 2.93Å; A635-V639 VanDerWaalsContact O-N 3.13Å; A635-V671 HydrophobicContact CB-CG1 3.94Å; A635-L674 HydrophobicContact CB-CB 4.46Å; A635-L674 HydrophobicContact CB-CD1 4.48Å; A635-L675 HydrophobicContact CB-CD2 4.24Å; A635-L675 HydrophobicContact CB-CG 4.18Å
636	K	93.8	Very high	92.9	Very high	82 Å²	82	51.5 Å²	51.5	36%	0.357	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-42.7	174.9	-77.6	173.2	179.8	174.5	0	111.9	T632 Q633 I634 V639 T640 V671	T632-K636 HydrophobicContact CG2-CD 4.12Å; T632-K636 WeakPolarHBondContact O-CB 2.83Å; T632-K636 VanDerWaalsContact O-CG 3.26Å; T632-K636 WeakPolarHBondContact O-CG 2.91Å; T632-K636 PolarHBondContact O-N 3.11Å; Q633-K636 PolarHBondContact O-N 3.28Å; I634-K636 VanDerWaalsContact C-N 3.31Å; I634-K636 PolarHBondContact O-N 3.26Å; K636-V639 PolarHBondContact O-N 3.36Å; K636-T640 VanDerWaalsContact O-CB 3.3Å; K636-T640 WeakPolarHBondContact O-CB 3.29Å; K636-T640 WeakPolarHBondContact O-CG2 3.42Å; K636-T640 PolarHBondContact O-N 3.19Å; K636-T640 PolarHBondContact O-OG1 2.81Å; K636-V671 HydrophobicContact CG-CG1 4.26Å; K636-V671 HydrophobicContact CG-CG2 4Å
637	L	93.9	Very high	92.8	Very high	58 Å²	58	55 Å²	55	30%	0.304	27%	0.272	S	S	.	.	H	α-helix	trans	-66.9	-41.4	178.9	-71.7	171.1	0	0	0	112.1	Q633 I634 A635 V639 T640 R641 F642	Q633-L637 VanDerWaalsContact O-CG 3.32Å; Q633-L637 WeakPolarHBondContact O-CG 3.37Å; Q633-L637 PolarHBondContact O-N 3.32Å; I634-L637 PolarHBondContact O-N 3.23Å; I634-L637 VanDerWaalsContact O-N 3.08Å; A635-L637 PolarHBondContact O-N 3.13Å; L637-V639 VanDerWaalsContact C-N 3.28Å; L637-V639 PolarHBondContact O-N 3.1Å; L637-T640 PolarHBondContact O-N 3.04Å; L637-R641 HydrophobicContact CD2-CB 4.44Å; L637-R641 HydrophobicContact CD2-CG 4.15Å; L637-R641 PolarHBondContact O-N 3.47Å; L637-F642 HydrophobicContact CB-CD2 4.32Å; L637-F642 HydrophobicContact CB-CE2 3.83Å; L637-F642 HydrophobicContact CB-CZ 4.13Å; L637-F642 PolarHBondContact O-N 3.5Å
638	M	94.2	Very high	92.5	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-54.7	-45.8	174	-72.3	177.1	77.3	0	0	111.6	R594 L597 L598 M601 I634 A635 F642 G643 M644	R594-M638 HydrophobicContact CG-CE 3.86Å; L597-M638 HydrophobicContact CB-CE 4.17Å; L597-M638 HydrophobicContact CB-CG 4.24Å; L597-M638 HydrophobicContact CB-SD 3.78Å; L597-M638 HydrophobicContact CD1-CG 3.7Å; L597-M638 HydrophobicContact CD1-SD 4.34Å; L598-M638 HydrophobicContact CD2-CE 4Å; L598-M638 HydrophobicContact CG-CE 4.14Å; M601-M638 HydrophobicContact SD-SD 3.82Å; I634-M638 HydrophobicContact CG2-CG 4.31Å; I634-M638 HydrophobicContact CG2-SD 4Å; I634-M638 WeakPolarHBondContact O-CG 3.14Å; I634-M638 PolarHBondContact O-N 3.35Å; A635-M638 PolarHBondContact O-N 3.43Å; M638-F642 HydrophobicContact CG-CD2 4.35Å; M638-G643 PolarHBondContact O-N 2.97Å; M638-M644 HydrophobicContact CB-CB 4.28Å; M638-M644 HydrophobicContact CB-SD 4.48Å; M638-M644 HydrophobicContact CE-SD 4.06Å; M638-M644 HydrophobicContact CG-SD 4.13Å; M638-M644 WeakPolarHBondContact O-CB 3.39Å; M638-M644 PolarHBondContact O-N 2.89Å
639	V	93.3	Very high	92.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-78.8	-42.3	-176.9	179	0	0	0	0	112	A635 K636 L637 L648 I667 E670 V671 L674	A635-V639 VanDerWaalsContact O-CG2 3.27Å; A635-V639 WeakPolarHBondContact O-CG2 3.32Å; A635-V639 PolarHBondContact O-N 2.93Å; A635-V639 VanDerWaalsContact O-N 3.13Å; K636-V639 PolarHBondContact O-N 3.36Å; L637-V639 VanDerWaalsContact C-N 3.28Å; L637-V639 PolarHBondContact O-N 3.1Å; V639-L648 HydrophobicContact CG1-CD1 3.4Å; V639-I667 HydrophobicContact CG1-CB 4.39Å; V639-I667 HydrophobicContact CG1-CG1 4.3Å; V639-I667 HydrophobicContact CG1-CG2 4.03Å; V639-E670 HydrophobicContact CG1-CB 4.28Å; V639-E670 HydrophobicContact CG1-CG 4.42Å; V639-E670 HydrophobicContact CG2-CB 4.2Å; V639-E670 HydrophobicContact CG2-CG 3.82Å; V639-V671 HydrophobicContact CB-CG2 4.26Å; V639-V671 HydrophobicContact CG2-CG2 4.01Å; V639-L674 HydrophobicContact CG2-CD1 3.66Å
640	T	91.4	Very high	92	Very high	9 Å²	9	55 Å²	55	6%	0.055	29%	0.286	C	S	.	.	H	α-helix	trans	-92.3	-38.4	-170.3	59.7	0	0	0	0	114.8	K636 L637 T652 Y653 I656 I667	K636-T640 VanDerWaalsContact O-CB 3.3Å; K636-T640 WeakPolarHBondContact O-CB 3.29Å; K636-T640 WeakPolarHBondContact O-CG2 3.42Å; K636-T640 PolarHBondContact O-N 3.19Å; K636-T640 PolarHBondContact O-OG1 2.81Å; L637-T640 PolarHBondContact O-N 3.04Å; T640-T652 CarbonylContact O-C 3.42Å; T640-T652 WeakPolarHBondContact O-CA 3.42Å; T640-Y653 PolarHBondContact O-N 3.45Å; T640-I656 HydrophobicContact CG2-CD1 4.43Å; T640-I667 HydrophobicContact CG2-CD1 4.39Å; T640-I667 HydrophobicContact CG2-CG2 3.95Å
641	R	91.1	Very high	91.6	Very high	151 Å²	151	58.3 Å²	58.3	57%	0.57	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-41.4	-173.2	-71.7	-162.5	179.5	178.9	-0.1	112.9	L637	L637-R641 HydrophobicContact CD2-CB 4.44Å; L637-R641 HydrophobicContact CD2-CG 4.15Å; L637-R641 PolarHBondContact O-N 3.47Å
642	F	92	Very high	91.2	Very high	98 Å²	98	62.2 Å²	62.2	43%	0.43	32%	0.318	S	S	.	.	S	Bend	trans	-87.3	-11.4	-173.5	-53.8	-30.1	0	0	0	113.7	L597 L637 M638 M644	L597-F642 HydrophobicContact CD1-CD2 3.76Å; L597-F642 HydrophobicContact CD1-CE2 3.86Å; L637-F642 HydrophobicContact CB-CD2 4.32Å; L637-F642 HydrophobicContact CB-CE2 3.83Å; L637-F642 HydrophobicContact CB-CZ 4.13Å; L637-F642 PolarHBondContact O-N 3.5Å; M638-F642 HydrophobicContact CG-CD2 4.35Å; F642-M644 VanDerWaalsContact C-N 3.27Å; F642-M644 HydrophobicContact CB-CE 3.96Å; F642-M644 HydrophobicContact CB-CG 3.78Å; F642-M644 HydrophobicContact CB-SD 4.11Å; F642-M644 HydrophobicContact CD2-CE 4.3Å; F642-M644 HydrophobicContact CD2-SD 4.42Å; F642-M644 HydrophobicContact CG-CE 4.41Å; F642-M644 PolarHBondContact O-N 3.03Å
643	G	91	Very high	90.6	Very high	12 Å²	12	61.3 Å²	61.3	12%	0.124	31%	0.311	C	S	.	.			trans	63.2	32.9	179.3	0	0	0	0	0	113	M638 S645	M638-G643 PolarHBondContact O-N 2.97Å; G643-S645 VanDerWaalsContact C-N 3.29Å; G643-S645 PolarHBondContact O-N 3.1Å
644	M	91.8	Very high	89.9	Confident	44 Å²	44	64.6 Å²	64.6	22%	0.217	32%	0.324	C	S	.	.			trans	-91.7	20.5	-176.6	-63.2	-175.4	176.9	0	0	113.4	R594 L597 M638 F642	R594-M644 HydrophobicContact CB-CE 4.38Å; R594-M644 HydrophobicContact CB-SD 3.86Å; R594-M644 HydrophobicContact CG-SD 4.04Å; L597-M644 HydrophobicContact CD1-CE 3.79Å; L597-M644 HydrophobicContact CD1-SD 3.72Å; M638-M644 HydrophobicContact CB-CB 4.28Å; M638-M644 HydrophobicContact CB-SD 4.48Å; M638-M644 HydrophobicContact CE-SD 4.06Å; M638-M644 HydrophobicContact CG-SD 4.13Å; M638-M644 WeakPolarHBondContact O-CB 3.39Å; M638-M644 PolarHBondContact O-N 2.89Å; F642-M644 VanDerWaalsContact C-N 3.27Å; F642-M644 HydrophobicContact CB-CE 3.96Å; F642-M644 HydrophobicContact CB-CG 3.78Å; F642-M644 HydrophobicContact CB-SD 4.11Å; F642-M644 HydrophobicContact CD2-CE 4.3Å; F642-M644 HydrophobicContact CD2-SD 4.42Å; F642-M644 HydrophobicContact CG-CE 4.41Å; F642-M644 PolarHBondContact O-N 3.03Å
645	S	89.7	Confident	89.1	Confident	4 Å²	4	66.7 Å²	66.7	3%	0.028	34%	0.335	C	S	.	.			trans	-111.9	126.6	173.4	174.6	0	0	0	0	110.4	G643 K647 G649 E670	G643-S645 VanDerWaalsContact C-N 3.29Å; G643-S645 PolarHBondContact O-N 3.1Å; S645-K647 VanDerWaalsContact C-N 3.25Å; S645-K647 PolarHBondContact O-N 3.4Å; S645-K647 PolarHBondContact OG-N 3.06Å; S645-G649 PolarHBondContact O-N 3.31Å; S645-E670 WeakPolarHBondContact OG-CG 3.37Å; S645-E670 PolarHBondContact OG-OE1 3.13Å
646	D	87.1	Confident	88.1	Confident	156 Å²	156	70.3 Å²	70.3	83%	0.834	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-28.6	179.5	-59.8	-36.2	0	0	0	112.2
647	K	87.8	Confident	87.4	Confident	142 Å²	142	72.4 Å²	72.4	62%	0.617	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-39.4	-177.1	-66.5	180	-165.5	139.9	0	113.4	S645 E670	S645-K647 VanDerWaalsContact C-N 3.25Å; S645-K647 PolarHBondContact O-N 3.4Å; S645-K647 PolarHBondContact OG-N 3.06Å; K647-E670 IonicContact NZ-OE2 3.66Å; K647-E670 PolarHBondContact NZ-OE2 2.89Å
648	L	87.1	Confident	86.9	Confident	33 Å²	33	77.1 Å²	77.1	17%	0.173	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-18.2	179.8	-68.6	176.1	0	0	0	112.3	V639 Y653 A666 I667	V639-L648 HydrophobicContact CG1-CD1 3.4Å; L648-Y653 HydrophobicContact CB-CE2 4.24Å; L648-Y653 HydrophobicContact CD1-CE2 4.31Å; L648-A666 HydrophobicContact CD2-CB 3.88Å; L648-I667 HydrophobicContact CD1-CB 4.28Å; L648-I667 HydrophobicContact CD1-CG1 3.42Å; L648-I667 VanDerWaalsContact CD1-CG1 3.42Å
649	G	86	Confident	86.4	Confident	27 Å²	27	79.9 Å²	79.9	28%	0.278	40%	0.404	S	S	.	.			trans	74.5	-172	-179.9	0	0	0	0	0	113.3	S645 M651	S645-G649 PolarHBondContact O-N 3.31Å; G649-M651 VanDerWaalsContact C-N 3.31Å; G649-M651 PolarHBondContact O-N 3.24Å
650	V	89.6	Confident	86.2	Confident	142 Å²	142	82.2 Å²	82.2	86%	0.861	42%	0.421	S	S	*	.	S	Bend	trans	-87	67.8	-173.8	-166.9	0	0	0	0	110.3
651	M	84.7	Confident	86.2	Confident	100 Å²	100	86.6 Å²	86.6	49%	0.493	45%	0.449	S	S	.	.			trans	-129.4	148.2	178.2	-170.5	169	69.7	0	0	111.9	G649 Y653	G649-M651 VanDerWaalsContact C-N 3.31Å; G649-M651 PolarHBondContact O-N 3.24Å; M651-Y653 HydrophobicContact CB-CE2 4.41Å; M651-Y653 HydrophobicContact CE-CD1 4.09Å; M651-Y653 HydrophobicContact CE-CE1 3.26Å; M651-Y653 HydrophobicContact CE-CE2 4.27Å; M651-Y653 WeakPolarHBondContact CE-OH 3.47Å
652	T	87.9	Confident	86.2	Confident	81 Å²	81	87 Å²	87	50%	0.497	46%	0.458	S	S	.	.			trans	-96.6	125.6	176.8	-51.9	0	0	0	0	112.1	T640 K654	T640-T652 CarbonylContact O-C 3.42Å; T640-T652 WeakPolarHBondContact O-CA 3.42Å; T652-K654 HydrophobicContact CG2-CG 4Å
653	Y	84.8	Confident	86.1	Confident	15 Å²	15	83.9 Å²	83.9	6%	0.059	45%	0.447	C	S	.	.			trans	-105.9	87.5	175.4	-56.4	-89.4	0	0	0	110.2	T640 L648 M651 Q659 T663 I667	T640-Y653 PolarHBondContact O-N 3.45Å; L648-Y653 HydrophobicContact CB-CE2 4.24Å; L648-Y653 HydrophobicContact CD1-CE2 4.31Å; M651-Y653 HydrophobicContact CB-CE2 4.41Å; M651-Y653 HydrophobicContact CE-CD1 4.09Å; M651-Y653 HydrophobicContact CE-CE1 3.26Å; M651-Y653 HydrophobicContact CE-CE2 4.27Å; M651-Y653 WeakPolarHBondContact CE-OH 3.47Å; Y653-Q659 HydrophobicContact CD1-CG 4.15Å; Y653-T663 HydrophobicContact CD1-CG2 4.07Å; Y653-T663 HydrophobicContact CE1-CG2 3.47Å; Y653-T663 VanDerWaalsContact CE1-CG2 3.47Å; Y653-I667 HydrophobicContact CD1-CD1 4.24Å; Y653-I667 HydrophobicContact CD2-CD1 4.49Å; Y653-I667 HydrophobicContact CG-CD1 4.17Å
654	K	79.3	Confident	86.1	Confident	174 Å²	174	85.9 Å²	85.9	76%	0.757	45%	0.453	S	S	*	.	S	Bend	trans	-70.1	-44.4	-177.7	-70.7	-173.8	178.9	-179.5	0	113.4	T652	T652-K654 HydrophobicContact CG2-CG 4Å
655	D	78.7	Confident	86.1	Confident	71 Å²	71	86.4 Å²	86.4	38%	0.38	46%	0.464	S	S	.	.			trans	-115.5	98.9	-179.3	-70.7	-33.9	0	0	0	109.5	T657 K658 Q659	D655-T657 PolarHBondContact O-N 2.87Å; D655-K658 HydrophobicContact CB-CB 3.97Å; D655-K658 HydrophobicContact CB-CD 3.78Å; D655-K658 HydrophobicContact CB-CG 3.85Å; D655-K658 PolarHBondContact O-N 2.96Å; D655-K658 WeakPolarHBondContact OD2-CD 3.38Å; D655-K658 VanDerWaalsContact OD2-CE 3.23Å; D655-K658 WeakPolarHBondContact OD2-CE 3.49Å; D655-K658 IonicContact OD2-NZ 3.33Å; D655-K658 PolarHBondContact OD2-NZ 2.76Å; D655-Q659 WeakPolarHBondContact O-CG 3.39Å; D655-Q659 PolarHBondContact O-NE2 2.94Å
656	I	76	Confident	86.2	Confident	77 Å²	77	88.2 Å²	88.2	40%	0.395	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-58.8	-39.9	178.9	-59.5	171.5	0	0	0	110.1	T640 K658 Q659 Q664	T640-I656 HydrophobicContact CG2-CD1 4.43Å; I656-K658 PolarHBondContact O-N 2.86Å; I656-Q659 WeakPolarHBondContact O-CB 3.48Å; I656-Q659 PolarHBondContact O-N 3.02Å; I656-Q659 VanDerWaalsContact O-N 3.12Å; I656-Q664 HydrophobicContact CG2-CG 4.15Å; I656-Q664 PolarHBondContact O-NE2 3.06Å
657	T	78.1	Confident	86.5	Confident	125 Å²	125	81.1 Å²	81.1	77%	0.767	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-67.6	-19.9	-177.7	55.1	0	0	0	0	114.3	D655	D655-T657 PolarHBondContact O-N 2.87Å
658	K	84	Confident	86.7	Confident	157 Å²	157	80 Å²	80	68%	0.683	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-89.7	-5.7	176.5	-65.9	-177.7	-173	159.4	0	113.1	D655 I656	D655-K658 HydrophobicContact CB-CB 3.97Å; D655-K658 HydrophobicContact CB-CD 3.78Å; D655-K658 HydrophobicContact CB-CG 3.85Å; D655-K658 PolarHBondContact O-N 2.96Å; D655-K658 WeakPolarHBondContact OD2-CD 3.38Å; D655-K658 VanDerWaalsContact OD2-CE 3.23Å; D655-K658 WeakPolarHBondContact OD2-CE 3.49Å; D655-K658 IonicContact OD2-NZ 3.33Å; D655-K658 PolarHBondContact OD2-NZ 2.76Å; I656-K658 PolarHBondContact O-N 2.86Å
659	Q	83.6	Confident	87.1	Confident	59 Å²	59	83.4 Å²	83.4	28%	0.276	45%	0.453	S	S	.	.	S	Bend	trans	-81.6	161.9	-179.3	-53.1	-48.8	-44.3	0	0	112.1	Y653 D655 I656 T663 Q664	Y653-Q659 HydrophobicContact CD1-CG 4.15Å; D655-Q659 WeakPolarHBondContact O-CG 3.39Å; D655-Q659 PolarHBondContact O-NE2 2.94Å; I656-Q659 WeakPolarHBondContact O-CB 3.48Å; I656-Q659 PolarHBondContact O-N 3.02Å; I656-Q659 VanDerWaalsContact O-N 3.12Å; Q659-T663 HydrophobicContact CB-CG2 4.27Å; Q659-Q664 HydrophobicContact CB-CG 4.2Å; Q659-Q664 PolarHBondContact O-NE2 3.43Å
660	S	89.6	Confident	87.5	Confident	49 Å²	49	83.1 Å²	83.1	34%	0.343	45%	0.445	S	S	.	.			trans	-63.9	148.3	172.9	68.2	0	0	0	0	110.9	E662 T663 Q664	S660-E662 PolarHBondContact O-N 3.29Å; S660-T663 WeakPolarHBondContact O-CB 3.37Å; S660-T663 PolarHBondContact O-N 3.07Å; S660-T663 WeakPolarHBondContact OG-CB 3.48Å; S660-T663 PolarHBondContact OG-N 3.25Å; S660-T663 PolarHBondContact OG-OG1 2.89Å; S660-Q664 PolarHBondContact O-N 3.42Å
661	P	91.2	Very high	87.7	Confident	101 Å²	101	76.9 Å²	76.9	66%	0.656	41%	0.407	S	S	*	.	H	α-helix	trans	-55.5	-34.3	176.4	-26.4	34.7	0	0	0	113.2	Q664 A665	P661-Q664 PolarHBondContact O-N 3.08Å; P661-A665 WeakPolarHBondContact O-CB 3.48Å; P661-A665 PolarHBondContact O-N 3.39Å
662	E	91.4	Very high	88.3	Confident	160 Å²	160	79.8 Å²	79.8	75%	0.748	41%	0.412	S	S	*	.	H	α-helix	trans	-62.8	-44.2	175.6	-65.4	166.3	179.7	0	0	111.8	S660 A665 A666	S660-E662 PolarHBondContact O-N 3.29Å; E662-A665 PolarHBondContact O-N 3.33Å; E662-A666 WeakPolarHBondContact O-CB 3.48Å; E662-A666 PolarHBondContact O-N 3.5Å
663	T	89.6	Confident	88.7	Confident	32 Å²	32	77.2 Å²	77.2	20%	0.196	40%	0.399	C	S	.	.	H	α-helix	trans	-66.8	-41	177.2	-55.7	0	0	0	0	110.8	Y653 Q659 S660 A666 I667	Y653-T663 HydrophobicContact CD1-CG2 4.07Å; Y653-T663 HydrophobicContact CE1-CG2 3.47Å; Y653-T663 VanDerWaalsContact CE1-CG2 3.47Å; Q659-T663 HydrophobicContact CB-CG2 4.27Å; S660-T663 WeakPolarHBondContact O-CB 3.37Å; S660-T663 PolarHBondContact O-N 3.07Å; S660-T663 WeakPolarHBondContact OG-CB 3.48Å; S660-T663 PolarHBondContact OG-N 3.25Å; S660-T663 PolarHBondContact OG-OG1 2.89Å; T663-A666 PolarHBondContact O-N 3.24Å; T663-I667 HydrophobicContact CG2-CD1 4.02Å; T663-I667 VanDerWaalsContact O-CG1 3.28Å; T663-I667 WeakPolarHBondContact O-CG1 3.49Å; T663-I667 PolarHBondContact O-N 3.27Å
664	Q	91.2	Very high	89.2	Confident	55 Å²	55	76.7 Å²	76.7	26%	0.257	40%	0.397	S	S	.	.	H	α-helix	trans	-61	-46.8	176	-68.5	173.9	-2.9	0	0	111.2	I656 Q659 S660 P661 A666 I667 E668	I656-Q664 HydrophobicContact CG2-CG 4.15Å; I656-Q664 PolarHBondContact O-NE2 3.06Å; Q659-Q664 HydrophobicContact CB-CG 4.2Å; Q659-Q664 PolarHBondContact O-NE2 3.43Å; S660-Q664 PolarHBondContact O-N 3.42Å; P661-Q664 PolarHBondContact O-N 3.08Å; Q664-A666 VanDerWaalsContact C-N 3.31Å; Q664-A666 PolarHBondContact O-N 2.9Å; Q664-I667 PolarHBondContact O-N 3.14Å; Q664-E668 WeakPolarHBondContact O-CG 3.49Å; Q664-E668 PolarHBondContact O-N 3.35Å
665	A	91.9	Very high	90	Very high	55 Å²	55	69.9 Å²	69.9	46%	0.455	37%	0.369	S	S	.	.	H	α-helix	trans	-61.7	-39	176.7	0	0	0	0	0	112.2	P661 E662 E668 H669	P661-A665 WeakPolarHBondContact O-CB 3.48Å; P661-A665 PolarHBondContact O-N 3.39Å; E662-A665 PolarHBondContact O-N 3.33Å; A665-E668 PolarHBondContact O-N 2.99Å; A665-H669 WeakPolarHBondContact O-CB 3.24Å; A665-H669 PolarHBondContact O-N 2.9Å
666	A	91.8	Very high	90.9	Very high	42 Å²	42	73 Å²	73	35%	0.347	38%	0.379	S	S	.	.	H	α-helix	trans	-64.9	-43.1	175.5	0	0	0	0	0	112.3	L648 E662 T663 Q664 H669 E670	L648-A666 HydrophobicContact CD2-CB 3.88Å; E662-A666 WeakPolarHBondContact O-CB 3.48Å; E662-A666 PolarHBondContact O-N 3.5Å; T663-A666 PolarHBondContact O-N 3.24Å; Q664-A666 VanDerWaalsContact C-N 3.31Å; Q664-A666 PolarHBondContact O-N 2.9Å; A666-H669 PolarHBondContact O-N 3.22Å; A666-E670 PolarHBondContact O-N 3.43Å
667	I	92.5	Very high	91.8	Very high	7 Å²	7	74 Å²	74	4%	0.036	38%	0.382	C	S	.	.	H	α-helix	trans	-59.4	-49.8	173.9	-69.3	163.5	0	0	0	110.4	V639 T640 L648 Y653 T663 Q664 H669 E670 V671	V639-I667 HydrophobicContact CG1-CB 4.39Å; V639-I667 HydrophobicContact CG1-CG1 4.3Å; V639-I667 HydrophobicContact CG1-CG2 4.03Å; T640-I667 HydrophobicContact CG2-CD1 4.39Å; T640-I667 HydrophobicContact CG2-CG2 3.95Å; L648-I667 HydrophobicContact CD1-CB 4.28Å; L648-I667 HydrophobicContact CD1-CG1 3.42Å; L648-I667 VanDerWaalsContact CD1-CG1 3.42Å; Y653-I667 HydrophobicContact CD1-CD1 4.24Å; Y653-I667 HydrophobicContact CD2-CD1 4.49Å; Y653-I667 HydrophobicContact CG-CD1 4.17Å; T663-I667 HydrophobicContact CG2-CD1 4.02Å; T663-I667 VanDerWaalsContact O-CG1 3.28Å; T663-I667 WeakPolarHBondContact O-CG1 3.49Å; T663-I667 PolarHBondContact O-N 3.27Å; Q664-I667 PolarHBondContact O-N 3.14Å; I667-H669 VanDerWaalsContact C-N 3.34Å; I667-H669 PolarHBondContact O-N 3.43Å; I667-E670 PolarHBondContact O-N 3.03Å; I667-V671 HydrophobicContact CG2-CG2 4.37Å; I667-V671 WeakPolarHBondContact O-CG2 3.48Å; I667-V671 PolarHBondContact O-N 3.41Å
668	E	92.3	Very high	92.7	Very high	117 Å²	117	68 Å²	68	55%	0.547	35%	0.346	S	S	.	.	H	α-helix	trans	-61.9	-41.2	-179.7	-74	-179.1	-174.6	0	0	112.7	Q664 A665 E670 V671 R672	Q664-E668 WeakPolarHBondContact O-CG 3.49Å; Q664-E668 PolarHBondContact O-N 3.35Å; A665-E668 PolarHBondContact O-N 2.99Å; E668-E670 VanDerWaalsContact C-N 3.34Å; E668-V671 PolarHBondContact O-N 3.36Å; E668-R672 WeakPolarHBondContact O-CB 3.05Å; E668-R672 PolarHBondContact O-N 3.04Å
669	H	94.5	Very high	93.3	Very high	106 Å²	106	62.7 Å²	62.7	49%	0.491	32%	0.321	S	S	.	.	H	α-helix	trans	-60.9	-45.3	176.4	179.1	-78.3	0	0	0	111.2	A665 A666 I667 R672 A673	A665-H669 WeakPolarHBondContact O-CB 3.24Å; A665-H669 PolarHBondContact O-N 2.9Å; A666-H669 PolarHBondContact O-N 3.22Å; I667-H669 VanDerWaalsContact C-N 3.34Å; I667-H669 PolarHBondContact O-N 3.43Å; H669-R672 PolarHBondContact O-N 3.48Å; H669-A673 PolarHBondContact O-N 3.41Å
670	E	94.5	Very high	94	Very high	21 Å²	21	63.3 Å²	63.3	10%	0.098	33%	0.326	C	S	.	.	H	α-helix	trans	-67	-43	179.9	-167.1	76.6	161	0	0	112.4	V639 S645 K647 A666 I667 E668 R672 A673 L674	V639-E670 HydrophobicContact CG1-CB 4.28Å; V639-E670 HydrophobicContact CG1-CG 4.42Å; V639-E670 HydrophobicContact CG2-CB 4.2Å; V639-E670 HydrophobicContact CG2-CG 3.82Å; S645-E670 WeakPolarHBondContact OG-CG 3.37Å; S645-E670 PolarHBondContact OG-OE1 3.13Å; K647-E670 IonicContact NZ-OE2 3.66Å; K647-E670 PolarHBondContact NZ-OE2 2.89Å; A666-E670 PolarHBondContact O-N 3.43Å; I667-E670 PolarHBondContact O-N 3.03Å; E668-E670 VanDerWaalsContact C-N 3.34Å; E670-R672 VanDerWaalsContact C-N 3.3Å; E670-R672 PolarHBondContact O-N 3.42Å; E670-A673 WeakPolarHBondContact O-CB 3.5Å; E670-A673 PolarHBondContact O-N 3.07Å; E670-A673 VanDerWaalsContact O-N 3.16Å; E670-L674 WeakPolarHBondContact O-CG 3.41Å; E670-L674 PolarHBondContact O-N 3.06Å
671	V	95.3	Very high	94.3	Very high	11 Å²	11	64.3 Å²	64.3	7%	0.067	32%	0.323	C	S	.	.	H	α-helix	trans	-58.2	-44.5	174.7	169.1	0	0	0	0	110.7	A635 K636 V639 I667 E668 A673 L674 L675	A635-V671 HydrophobicContact CB-CG1 3.94Å; K636-V671 HydrophobicContact CG-CG1 4.26Å; K636-V671 HydrophobicContact CG-CG2 4Å; V639-V671 HydrophobicContact CB-CG2 4.26Å; V639-V671 HydrophobicContact CG2-CG2 4.01Å; I667-V671 HydrophobicContact CG2-CG2 4.37Å; I667-V671 WeakPolarHBondContact O-CG2 3.48Å; I667-V671 PolarHBondContact O-N 3.41Å; E668-V671 PolarHBondContact O-N 3.36Å; V671-A673 VanDerWaalsContact C-N 3.34Å; V671-A673 PolarHBondContact O-N 3.39Å; V671-L674 PolarHBondContact O-N 3.45Å; V671-L675 HydrophobicContact CG1-CD1 3.89Å; V671-L675 VanDerWaalsContact O-CG 3.31Å; V671-L675 WeakPolarHBondContact O-CG 3.13Å; V671-L675 PolarHBondContact O-N 3.48Å
672	R	95.7	Very high	94.5	Very high	161 Å²	161	59.5 Å²	59.5	61%	0.608	29%	0.292	S	S	*	.	H	α-helix	trans	-63.5	-39.1	177.1	-171.1	-178.5	-65	115.7	1.7	112.1	E668 H669 E670 K676	E668-R672 WeakPolarHBondContact O-CB 3.05Å; E668-R672 PolarHBondContact O-N 3.04Å; H669-R672 PolarHBondContact O-N 3.48Å; E670-R672 VanDerWaalsContact C-N 3.3Å; E670-R672 PolarHBondContact O-N 3.42Å; R672-K676 WeakPolarHBondContact O-CB 3.23Å; R672-K676 PolarHBondContact O-N 2.91Å
673	A	95.9	Very high	94.8	Very high	26 Å²	26	54.2 Å²	54.2	22%	0.215	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-49.1	176.9	0	0	0	0	0	111.2	H669 E670 V671 L675 K676 E677	H669-A673 PolarHBondContact O-N 3.41Å; E670-A673 WeakPolarHBondContact O-CB 3.5Å; E670-A673 PolarHBondContact O-N 3.07Å; E670-A673 VanDerWaalsContact O-N 3.16Å; V671-A673 VanDerWaalsContact C-N 3.34Å; V671-A673 PolarHBondContact O-N 3.39Å; A673-L675 PolarHBondContact O-N 3Å; A673-K676 PolarHBondContact O-N 3.3Å; A673-E677 WeakPolarHBondContact O-CG 3.49Å; A673-E677 PolarHBondContact O-N 3.31Å
674	L	96.1	Very high	95.2	Very high	5 Å²	5	57.4 Å²	57.4	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-58.4	-45	178	-69.9	172.8	0	0	0	112.4	L598 M601 A635 V639 E670 V671 E677 S678	L598-L674 HydrophobicContact CD2-CD2 4.36Å; M601-L674 HydrophobicContact CE-CB 4.03Å; A635-L674 HydrophobicContact CB-CB 4.46Å; A635-L674 HydrophobicContact CB-CD1 4.48Å; V639-L674 HydrophobicContact CG2-CD1 3.66Å; E670-L674 WeakPolarHBondContact O-CG 3.41Å; E670-L674 PolarHBondContact O-N 3.06Å; V671-L674 PolarHBondContact O-N 3.45Å; L674-E677 PolarHBondContact O-N 2.82Å; L674-S678 PolarHBondContact O-N 3.45Å; L674-S678 PolarHBondContact O-OG 3.33Å
675	L	96.3	Very high	95.4	Very high	30 Å²	30	56.3 Å²	56.3	16%	0.157	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-39.2	178.8	-69.6	167.8	0	0	0	112.4	M601 M605 A631 A635 V671 A673 S678 Y679	M601-L675 HydrophobicContact CE-CD2 3.71Å; M601-L675 HydrophobicContact CE-CG 4.21Å; M605-L675 HydrophobicContact CE-CB 4.14Å; M605-L675 HydrophobicContact CE-CD2 3.39Å; M605-L675 HydrophobicContact CE-CG 4.35Å; A631-L675 HydrophobicContact CB-CD2 3.78Å; A635-L675 HydrophobicContact CB-CD2 4.24Å; A635-L675 HydrophobicContact CB-CG 4.18Å; V671-L675 HydrophobicContact CG1-CD1 3.89Å; V671-L675 VanDerWaalsContact O-CG 3.31Å; V671-L675 WeakPolarHBondContact O-CG 3.13Å; V671-L675 PolarHBondContact O-N 3.48Å; A673-L675 PolarHBondContact O-N 3Å; L675-S678 WeakPolarHBondContact CA-OG 3.35Å; L675-S678 PolarHBondContact O-N 3.48Å; L675-S678 PolarHBondContact O-OG 3.36Å; L675-Y679 WeakPolarHBondContact O-CB 3.3Å; L675-Y679 PolarHBondContact O-N 3.49Å
676	K	96.8	Very high	95.6	Very high	138 Å²	138	53.8 Å²	53.8	60%	0.6	26%	0.257	S	S	*	.	H	α-helix	trans	-66.3	-45.1	176.9	-176.1	177.8	178	-178	0	111	R672 A673 S678 Y679 D680	R672-K676 WeakPolarHBondContact O-CB 3.23Å; R672-K676 PolarHBondContact O-N 2.91Å; A673-K676 PolarHBondContact O-N 3.3Å; K676-S678 VanDerWaalsContact C-N 3.33Å; K676-S678 PolarHBondContact O-N 3.25Å; K676-Y679 WeakPolarHBondContact O-CB 3.47Å; K676-Y679 PolarHBondContact O-N 3.24Å; K676-D680 PolarHBondContact O-N 3.16Å
677	E	96.4	Very high	95.8	Very high	97 Å²	97	57 Å²	57	45%	0.453	26%	0.263	S	S	.	.	H	α-helix	trans	-62.3	-40.1	177.1	-70.9	175.6	-168.2	0	0	112	A673 L674 Y679 D680 R681	A673-E677 WeakPolarHBondContact O-CG 3.49Å; A673-E677 PolarHBondContact O-N 3.31Å; L674-E677 PolarHBondContact O-N 2.82Å; E677-Y679 VanDerWaalsContact C-N 3.33Å; E677-D680 PolarHBondContact O-N 3.2Å; E677-R681 WeakPolarHBondContact O-CG 3.48Å; E677-R681 PolarHBondContact O-N 3.34Å
678	S	96.5	Very high	96	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.7	-38.7	174.5	57.9	0	0	0	0	112.5	D602 L674 L675 K676 R681 A682	D602-S678 WeakPolarHBondContact OD1-CA 3.37Å; D602-S678 WeakPolarHBondContact OD1-CB 3.47Å; L674-S678 PolarHBondContact O-N 3.45Å; L674-S678 PolarHBondContact O-OG 3.33Å; L675-S678 WeakPolarHBondContact CA-OG 3.35Å; L675-S678 PolarHBondContact O-N 3.48Å; L675-S678 PolarHBondContact O-OG 3.36Å; K676-S678 VanDerWaalsContact C-N 3.33Å; K676-S678 PolarHBondContact O-N 3.25Å; S678-R681 VanDerWaalsContact CA-NH2 3.32Å; S678-R681 PolarHBondContact O-N 3.23Å; S678-A682 WeakPolarHBondContact O-CB 3.43Å; S678-A682 PolarHBondContact O-N 3.05Å
679	Y	96.6	Very high	96.1	Very high	44 Å²	44	59.4 Å²	59.4	17%	0.173	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-47.4	175.1	-162.3	-93.5	0	0	0	112	M605 R608 V609 E612 L675 K676 E677 R681 A682 K683	M605-Y679 HydrophobicContact CB-CD2 4.24Å; M605-Y679 HydrophobicContact CG-CD2 4.3Å; M605-Y679 HydrophobicContact SD-CD2 3.95Å; R608-Y679 HydrophobicContact CB-CE2 4.44Å; R608-Y679 HydrophobicContact CG-CE2 3.75Å; R608-Y679 WeakPolarHBondContact CG-OH 3.4Å; V609-Y679 HydrophobicContact CG2-CD1 4.17Å; V609-Y679 HydrophobicContact CG2-CD2 3.76Å; V609-Y679 HydrophobicContact CG2-CE1 3.89Å; V609-Y679 HydrophobicContact CG2-CE2 3.44Å; V609-Y679 VanDerWaalsContact CG2-CE2 3.44Å; V609-Y679 HydrophobicContact CG2-CG 4.11Å; E612-Y679 WeakPolarHBondContact OE2-CE1 3.44Å; E612-Y679 PolarHBondContact OE2-OH 3.15Å; L675-Y679 WeakPolarHBondContact O-CB 3.3Å; L675-Y679 PolarHBondContact O-N 3.49Å; K676-Y679 WeakPolarHBondContact O-CB 3.47Å; K676-Y679 PolarHBondContact O-N 3.24Å; E677-Y679 VanDerWaalsContact C-N 3.33Å; Y679-R681 PolarHBondContact O-N 3.36Å; Y679-A682 PolarHBondContact O-N 3.05Å; Y679-K683 WeakPolarHBondContact O-CB 3.42Å; Y679-K683 PolarHBondContact O-N 2.93Å
680	D	97.2	Very high	96.1	Very high	72 Å²	72	57.5 Å²	57.5	39%	0.385	28%	0.276	S	S	.	.	H	α-helix	trans	-66.1	-38	180	-70.6	-30	0	0	0	111.7	K676 E677 K683 N684	K676-D680 PolarHBondContact O-N 3.16Å; E677-D680 PolarHBondContact O-N 3.2Å; D680-K683 PolarHBondContact O-N 2.8Å; D680-N684 VanDerWaalsContact O-CG 3.24Å; D680-N684 PolarHBondContact O-N 2.91Å; D680-N684 PolarHBondContact O-ND2 3.45Å
681	R	96.4	Very high	96.1	Very high	71 Å²	71	64.2 Å²	64.2	27%	0.268	31%	0.305	S	S	.	.	H	α-helix	trans	-62.5	-50.1	173.2	-75.1	-168.8	-57.7	-87.2	-0.9	112	D602 E677 S678 Y679 K683 N684 I685	D602-R681 IonicContact OD1-CZ 2.86Å; D602-R681 VanDerWaalsContact OD1-CZ 3.25Å; D602-R681 IonicContact OD1-NE 3.05Å; D602-R681 PolarHBondContact OD1-NE 3.46Å; D602-R681 IonicContact OD1-NH2 3.88Å; D602-R681 PolarHBondContact OD1-NH2 3.18Å; D602-R681 IonicContact OD2-CZ 2.69Å; D602-R681 IonicContact OD2-NE 2.87Å; D602-R681 PolarHBondContact OD2-NE 3.44Å; D602-R681 IonicContact OD2-NH2 2.69Å; E677-R681 WeakPolarHBondContact O-CG 3.48Å; E677-R681 PolarHBondContact O-N 3.34Å; S678-R681 VanDerWaalsContact CA-NH2 3.32Å; S678-R681 PolarHBondContact O-N 3.23Å; Y679-R681 PolarHBondContact O-N 3.36Å; R681-K683 VanDerWaalsContact C-N 3.27Å; R681-K683 PolarHBondContact O-N 3.35Å; R681-N684 PolarHBondContact O-N 3.24Å; R681-N684 VanDerWaalsContact O-N 3.16Å; R681-I685 WeakPolarHBondContact O-CG1 3.3Å; R681-I685 PolarHBondContact O-N 3.26Å
682	A	96.7	Very high	96	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58.6	-40.6	177	0	0	0	0	0	111.6	V556 M605 V609 S678 Y679 N684 I685 L686	V556-A682 HydrophobicContact CG2-CB 4.32Å; M605-A682 HydrophobicContact CB-CB 4.03Å; V609-A682 HydrophobicContact CG2-CB 4.21Å; S678-A682 WeakPolarHBondContact O-CB 3.43Å; S678-A682 PolarHBondContact O-N 3.05Å; Y679-A682 PolarHBondContact O-N 3.05Å; A682-N684 PolarHBondContact O-N 3.43Å; A682-I685 PolarHBondContact O-N 3.02Å; A682-L686 PolarHBondContact O-N 3.35Å
683	K	96.6	Very high	95.9	Very high	49 Å²	49	58.6 Å²	58.6	21%	0.213	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-39.5	175.8	-169.4	166.9	-176	164.5	0	113.2	V609 E612 L613 Y679 D680 R681 K687	V609-K683 VanDerWaalsContact CG1-CA 3.42Å; V609-K683 HydrophobicContact CG1-CB 3.76Å; V609-K683 HydrophobicContact CG1-CG 4.11Å; E612-K683 IonicContact OE1-NZ 3.71Å; E612-K683 PolarHBondContact OE1-NZ 3.32Å; L613-K683 HydrophobicContact CD2-CG 4.28Å; Y679-K683 WeakPolarHBondContact O-CB 3.42Å; Y679-K683 PolarHBondContact O-N 2.93Å; D680-K683 PolarHBondContact O-N 2.8Å; R681-K683 VanDerWaalsContact C-N 3.27Å; R681-K683 PolarHBondContact O-N 3.35Å; K683-K687 HydrophobicContact CG-CD 4.37Å; K683-K687 WeakPolarHBondContact O-CB 3.27Å; K683-K687 VanDerWaalsContact O-CG 3.22Å; K683-K687 WeakPolarHBondContact O-CG 3.42Å; K683-K687 PolarHBondContact O-N 3.36Å; K683-K687 VanDerWaalsContact O-N 3.09Å
684	N	97.1	Very high	95.9	Very high	99 Å²	99	62.9 Å²	62.9	53%	0.529	30%	0.299	S	S	.	.	H	α-helix	trans	-67.2	-44.4	175.6	-69.3	-26.8	0	0	0	111.5	D680 R681 A682 K687 T688	D680-N684 VanDerWaalsContact O-CG 3.24Å; D680-N684 PolarHBondContact O-N 2.91Å; D680-N684 PolarHBondContact O-ND2 3.45Å; R681-N684 PolarHBondContact O-N 3.24Å; R681-N684 VanDerWaalsContact O-N 3.16Å; A682-N684 PolarHBondContact O-N 3.43Å; N684-K687 PolarHBondContact O-N 2.91Å; N684-T688 PolarHBondContact O-N 3Å; N684-T688 PolarHBondContact O-OG1 2.98Å; N684-T688 VanDerWaalsContact O-OG1 3.08Å
685	I	96.6	Very high	95.8	Very high	32 Å²	32	67.8 Å²	67.8	16%	0.164	32%	0.32	C	S	.	.	H	α-helix	trans	-59.3	-50.7	178.2	-66.2	167.8	0	0	0	110.7	I555 V556 R681 A682 K687 T688 Y689	I555-I685 HydrophobicContact CG2-CG2 4.45Å; V556-I685 HydrophobicContact CG1-CD1 4.3Å; V556-I685 HydrophobicContact CG2-CG2 4.37Å; R681-I685 WeakPolarHBondContact O-CG1 3.3Å; R681-I685 PolarHBondContact O-N 3.26Å; A682-I685 PolarHBondContact O-N 3.02Å; I685-K687 VanDerWaalsContact C-N 3.32Å; I685-K687 PolarHBondContact O-N 2.94Å; I685-T688 PolarHBondContact O-N 2.96Å; I685-Y689 HydrophobicContact CG2-CD2 4.06Å; I685-Y689 HydrophobicContact CG2-CE2 4.5Å; I685-Y689 VanDerWaalsContact O-CD2 3.31Å; I685-Y689 WeakPolarHBondContact O-CD2 3.47Å; I685-Y689 PolarHBondContact O-N 3.31Å
686	L	95.8	Very high	95.7	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-67.2	-31.2	-178.2	-72.6	169.3	0	0	0	113.1	I555 V556 G606 V609 A610 L613 A682 Y689 S690	I555-L686 HydrophobicContact CB-CD2 3.98Å; I555-L686 HydrophobicContact CG2-CD2 3.82Å; V556-L686 HydrophobicContact CG2-CD1 4.12Å; V556-L686 HydrophobicContact CG2-CD2 4.22Å; V556-L686 HydrophobicContact CG2-CG 3.91Å; G606-L686 WeakPolarHBondContact O-CD1 3.38Å; V609-L686 HydrophobicContact CB-CD1 3.88Å; V609-L686 HydrophobicContact CG1-CD1 3.58Å; A610-L686 HydrophobicContact CB-CD1 4.05Å; L613-L686 HydrophobicContact CD1-CB 3.71Å; A682-L686 PolarHBondContact O-N 3.35Å; L686-Y689 CarbonylContact O-C 3.5Å; L686-S690 WeakPolarHBondContact O-CA 3.41Å; L686-S690 PolarHBondContact O-N 2.97Å
687	K	96.1	Very high	95.6	Very high	110 Å²	110	59.8 Å²	59.8	48%	0.478	28%	0.284	S	S	.	.	H	α-helix	trans	-67.1	-44.6	172	-78.5	176.7	177.5	-175.8	0	112	L613 K683 N684 I685 Y689 S690	L613-K687 HydrophobicContact CD1-CG 4.07Å; L613-K687 HydrophobicContact CD2-CG 4.09Å; K683-K687 HydrophobicContact CG-CD 4.37Å; K683-K687 WeakPolarHBondContact O-CB 3.27Å; K683-K687 VanDerWaalsContact O-CG 3.22Å; K683-K687 WeakPolarHBondContact O-CG 3.42Å; K683-K687 PolarHBondContact O-N 3.36Å; K683-K687 VanDerWaalsContact O-N 3.09Å; N684-K687 PolarHBondContact O-N 2.91Å; I685-K687 VanDerWaalsContact C-N 3.32Å; I685-K687 PolarHBondContact O-N 2.94Å; K687-Y689 VanDerWaalsContact C-N 3.35Å; K687-S690 PolarHBondContact O-OG 3.41Å
688	T	96.6	Very high	95.5	Very high	99 Å²	99	58.4 Å²	58.4	61%	0.607	28%	0.28	S	S	*	.	H	α-helix	trans	-62.8	-41.8	179.2	-62.6	0	0	0	0	111.6	N684 I685	N684-T688 PolarHBondContact O-N 3Å; N684-T688 PolarHBondContact O-OG1 2.98Å; N684-T688 VanDerWaalsContact O-OG1 3.08Å; I685-T688 PolarHBondContact O-N 2.96Å
689	Y	95.3	Very high	95.4	Very high	75 Å²	75	59 Å²	59	29%	0.294	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	36.6	-176.6	-58	-71.4	0	0	0	113.6	Y559 I685 L686 K687 K691 E692 H693	Y559-Y689 HydrophobicContact CD1-CD2 4.19Å; Y559-Y689 HydrophobicContact CD1-CE1 4.02Å; Y559-Y689 AromaticContact CD1-CE2 3.62Å; Y559-Y689 HydrophobicContact CD1-CE2 3.62Å; Y559-Y689 AromaticContact CD1-CZ 3.51Å; Y559-Y689 HydrophobicContact CD2-CD1 4.41Å; Y559-Y689 AromaticContact CD2-CD2 3.56Å; Y559-Y689 HydrophobicContact CD2-CD2 3.56Å; Y559-Y689 AromaticContact CD2-CE2 3.83Å; Y559-Y689 HydrophobicContact CD2-CE2 3.83Å; Y559-Y689 AromaticContact CD2-CG 3.87Å; Y559-Y689 HydrophobicContact CD2-CG 3.87Å; Y559-Y689 AromaticContact CE1-CD1 3.92Å; Y559-Y689 HydrophobicContact CE1-CD1 3.92Å; Y559-Y689 HydrophobicContact CE1-CD2 4.34Å; Y559-Y689 AromaticContact CE1-CE1 3.49Å; Y559-Y689 HydrophobicContact CE1-CE1 3.49Å; Y559-Y689 VanDerWaalsContact CE1-CE1 3.49Å; Y559-Y689 AromaticContact CE1-CE2 3.95Å; Y559-Y689 HydrophobicContact CE1-CE2 3.95Å; Y559-Y689 HydrophobicContact CE1-CG 4.32Å; Y559-Y689 AromaticContact CE1-CZ 3.49Å; Y559-Y689 VanDerWaalsContact CE1-CZ 3.49Å; Y559-Y689 AromaticContact CE2-CD1 3.77Å; Y559-Y689 HydrophobicContact CE2-CD1 3.77Å; Y559-Y689 AromaticContact CE2-CD2 3.74Å; Y559-Y689 HydrophobicContact CE2-CD2 3.74Å; Y559-Y689 HydrophobicContact CE2-CE1 4.19Å; Y559-Y689 HydrophobicContact CE2-CE2 4.16Å; Y559-Y689 AromaticContact CE2-CG 3.52Å; Y559-Y689 HydrophobicContact CE2-CG 3.52Å; Y559-Y689 AromaticContact CG-CD2 3.8Å; Y559-Y689 HydrophobicContact CG-CD2 3.8Å; Y559-Y689 AromaticContact CG-CE2 3.55Å; Y559-Y689 HydrophobicContact CG-CE2 3.55Å; Y559-Y689 HydrophobicContact CG-CG 4.4Å; Y559-Y689 AromaticContact CG-CZ 3.97Å; Y559-Y689 AromaticContact CZ-CD1 3.48Å; Y559-Y689 VanDerWaalsContact CZ-CD1 3.48Å; Y559-Y689 AromaticContact CZ-CE1 3.58Å; Y559-Y689 AromaticContact CZ-CG 3.76Å; Y559-Y689 AromaticContact CZ-CZ 3.93Å; I685-Y689 HydrophobicContact CG2-CD2 4.06Å; I685-Y689 HydrophobicContact CG2-CE2 4.5Å; I685-Y689 VanDerWaalsContact O-CD2 3.31Å; I685-Y689 WeakPolarHBondContact O-CD2 3.47Å; I685-Y689 PolarHBondContact O-N 3.31Å; L686-Y689 CarbonylContact O-C 3.5Å; K687-Y689 VanDerWaalsContact C-N 3.35Å; Y689-K691 VanDerWaalsContact C-N 3.26Å; Y689-K691 PolarHBondContact O-N 2.96Å; Y689-E692 VanDerWaalsContact C-OE2 3.27Å; Y689-E692 VanDerWaalsContact CA-OE2 3.28Å; Y689-E692 WeakPolarHBondContact CA-OE2 3.28Å; Y689-E692 PolarHBondContact O-N 2.88Å; Y689-H693 WeakPolarHBondContact O-CB 3.38Å; Y689-H693 PolarHBondContact O-N 2.94Å
690	S	93.9	Very high	95.2	Very high	65 Å²	65	57 Å²	57	46%	0.455	28%	0.277	S	S	.	.	H	α-helix	trans	-62.7	-29.4	-176.2	54.7	0	0	0	0	113.9	L686 K687 K694	L686-S690 WeakPolarHBondContact O-CA 3.41Å; L686-S690 PolarHBondContact O-N 2.97Å; K687-S690 PolarHBondContact O-OG 3.41Å; S690-K694 PolarHBondContact O-N 2.97Å
691	K	93.8	Very high	95.1	Very high	162 Å²	162	55.9 Å²	55.9	70%	0.704	27%	0.271	S	S	*	.	H	α-helix	trans	-72.7	-44.2	178.7	-68.6	180	-179.3	174.9	0	111.2	Y689 K694 K695	Y689-K691 VanDerWaalsContact C-N 3.26Å; Y689-K691 PolarHBondContact O-N 2.96Å; K691-K694 PolarHBondContact O-N 3.41Å; K691-K695 WeakPolarHBondContact O-CG 3.29Å; K691-K695 PolarHBondContact O-N 3.18Å; K691-K695 VanDerWaalsContact O-N 3.09Å
692	E	93.7	Very high	94.8	Very high	51 Å²	51	57.4 Å²	57.4	24%	0.238	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-42.6	177.8	-64.8	76.9	-172	0	0	110.5	I555 Y689 K694 K695 L696 L715	I555-E692 HydrophobicContact CD1-CB 4.09Å; Y689-E692 VanDerWaalsContact C-OE2 3.27Å; Y689-E692 VanDerWaalsContact CA-OE2 3.28Å; Y689-E692 WeakPolarHBondContact CA-OE2 3.28Å; Y689-E692 PolarHBondContact O-N 2.88Å; E692-K694 PolarHBondContact O-N 3.23Å; E692-K695 PolarHBondContact O-N 2.98Å; E692-L696 WeakPolarHBondContact O-CB 3.33Å; E692-L696 PolarHBondContact O-N 3.11Å; E692-L715 HydrophobicContact CB-CD2 3.98Å
693	H	94.6	Very high	94.6	Very high	4 Å²	4	62 Å²	62	2%	0.019	31%	0.306	C	S	.	.	H	α-helix	trans	-56.5	-48.9	174.4	178	-131.5	0	0	0	112.1	Y548 S551 G552 I555 Y689 K695 L696 A697	Y548-H693 AromaticContact CD1-CE1 3.63Å; Y548-H693 PolarHBondContact O-NE2 3.15Å; S551-H693 PolarHBondContact OG-CD2 3.21Å; S551-H693 PolarHBondContact OG-NE2 2.76Å; S551-H693 VanDerWaalsContact OG-NE2 3.08Å; G552-H693 PolarHBondContact N-NE2 3.08Å; I555-H693 HydrophobicContact CG1-CB 4.15Å; Y689-H693 WeakPolarHBondContact O-CB 3.38Å; Y689-H693 PolarHBondContact O-N 2.94Å; H693-K695 PolarHBondContact O-N 2.75Å; H693-L696 PolarHBondContact O-N 3.37Å; H693-A697 WeakPolarHBondContact O-CB 3.45Å; H693-A697 PolarHBondContact O-N 3.48Å
694	K	94.8	Very high	94.3	Very high	115 Å²	115	63.2 Å²	63.2	50%	0.5	31%	0.313	S	S	.	.	H	α-helix	trans	-61.5	-45.3	176.9	-177.4	170.6	-176.7	179.6	0	112.7	S690 K691 E692 L696 A697 D698	S690-K694 PolarHBondContact O-N 2.97Å; K691-K694 PolarHBondContact O-N 3.41Å; E692-K694 PolarHBondContact O-N 3.23Å; K694-L696 VanDerWaalsContact C-N 3.3Å; K694-L696 PolarHBondContact O-N 3.35Å; K694-A697 PolarHBondContact O-N 3.28Å; K694-D698 VanDerWaalsContact O-CG 3.32Å; K694-D698 PolarHBondContact O-N 3.41Å
695	K	94.1	Very high	93.9	Very high	108 Å²	108	60.6 Å²	60.6	47%	0.47	30%	0.3	S	S	.	.	H	α-helix	trans	-59.3	-42.8	177.6	-74.9	178.3	179.2	-176.9	0	111.9	K691 E692 H693 D698 A699 V714	K691-K695 WeakPolarHBondContact O-CG 3.29Å; K691-K695 PolarHBondContact O-N 3.18Å; K691-K695 VanDerWaalsContact O-N 3.09Å; E692-K695 PolarHBondContact O-N 2.98Å; H693-K695 PolarHBondContact O-N 2.75Å; K695-D698 PolarHBondContact O-N 3.25Å; K695-A699 WeakPolarHBondContact O-CB 3.42Å; K695-A699 PolarHBondContact O-N 3.21Å; K695-V714 HydrophobicContact CB-CG1 4.38Å
696	L	94.4	Very high	93.7	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-67.9	-40.9	179.3	-172.9	62.6	0	0	0	111.7	A554 I555 E692 H693 K694 A699 L700 L706 I711 V714	A554-L696 HydrophobicContact CB-CD2 3.73Å; I555-L696 HydrophobicContact CD1-CD2 4.1Å; I555-L696 HydrophobicContact CG1-CD2 4.11Å; E692-L696 WeakPolarHBondContact O-CB 3.33Å; E692-L696 PolarHBondContact O-N 3.11Å; H693-L696 PolarHBondContact O-N 3.37Å; K694-L696 VanDerWaalsContact C-N 3.3Å; K694-L696 PolarHBondContact O-N 3.35Å; L696-A699 PolarHBondContact O-N 3.14Å; L696-L700 WeakPolarHBondContact O-CG 3.28Å; L696-L700 PolarHBondContact O-N 2.98Å; L696-L706 HydrophobicContact CD1-CD1 3.77Å; L696-I711 HydrophobicContact CD1-CG1 4.3Å; L696-I711 HydrophobicContact CD1-CG2 4.11Å; L696-I711 HydrophobicContact CD2-CG2 4.43Å; L696-V714 HydrophobicContact CD1-CG1 4.2Å
697	A	94.9	Very high	93.4	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.5	-44	174.5	0	0	0	0	0	111.9	Y548 H693 K694 L700 L701	Y548-A697 HydrophobicContact CD1-CB 3.74Å; Y548-A697 HydrophobicContact CD2-CB 4.11Å; Y548-A697 HydrophobicContact CE1-CB 3.75Å; Y548-A697 HydrophobicContact CE2-CB 4.08Å; Y548-A697 HydrophobicContact CG-CB 3.94Å; H693-A697 WeakPolarHBondContact O-CB 3.45Å; H693-A697 PolarHBondContact O-N 3.48Å; K694-A697 PolarHBondContact O-N 3.28Å; A697-L700 PolarHBondContact O-N 3.27Å; A697-L701 WeakPolarHBondContact O-CG 3.38Å; A697-L701 PolarHBondContact O-N 3.03Å
698	D	94.3	Very high	93	Very high	69 Å²	69	58.3 Å²	58.3	37%	0.369	30%	0.299	S	S	.	.	H	α-helix	trans	-64.4	-41.3	177.5	-69.8	-21.8	0	0	0	111	K694 K695 L701 T702	K694-D698 VanDerWaalsContact O-CG 3.32Å; K694-D698 PolarHBondContact O-N 3.41Å; K695-D698 PolarHBondContact O-N 3.25Å; D698-L701 WeakPolarHBondContact O-CB 3.46Å; D698-L701 PolarHBondContact O-N 3.01Å; D698-T702 PolarHBondContact O-N 3.48Å; D698-T702 VanDerWaalsContact O-N 3.12Å; D698-T702 PolarHBondContact O-OG1 3.47Å
699	A	93.7	Very high	92.6	Very high	13 Å²	13	61.2 Å²	61.2	11%	0.107	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-42.7	174.2	0	0	0	0	0	112.2	K695 L696 L701 T702 Y703 L706 V714	K695-A699 WeakPolarHBondContact O-CB 3.42Å; K695-A699 PolarHBondContact O-N 3.21Å; L696-A699 PolarHBondContact O-N 3.14Å; A699-L701 VanDerWaalsContact C-N 3.3Å; A699-L701 PolarHBondContact O-N 3.04Å; A699-T702 PolarHBondContact O-N 3.37Å; A699-Y703 WeakPolarHBondContact O-CD2 3.33Å; A699-Y703 PolarHBondContact O-N 3.36Å; A699-L706 HydrophobicContact CB-CD1 3.88Å; A699-V714 HydrophobicContact CB-CG1 4.06Å; A699-V714 HydrophobicContact CB-CG2 4.05Å
700	L	93.8	Very high	92.4	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-36	174.4	-75.9	171.4	0	0	0	112.2	A547 E550 A569 I571 L696 A697 T702 E704 L706	A547-L700 HydrophobicContact CB-CB 4.26Å; E550-L700 HydrophobicContact CB-CD1 4.33Å; A569-L700 HydrophobicContact CB-CD2 4.13Å; I571-L700 WeakPolarHBondContact CD1-O 3.41Å; I571-L700 HydrophobicContact CG2-CB 4.14Å; I571-L700 HydrophobicContact CG2-CD1 4.33Å; L696-L700 WeakPolarHBondContact O-CG 3.28Å; L696-L700 PolarHBondContact O-N 2.98Å; A697-L700 PolarHBondContact O-N 3.27Å; L700-T702 VanDerWaalsContact C-N 3.3Å; L700-T702 PolarHBondContact O-N 2.95Å; L700-E704 WeakPolarHBondContact O-CA 3.45Å; L700-E704 PolarHBondContact O-N 2.84Å; L700-L706 HydrophobicContact CD2-CB 4.32Å; L700-L706 HydrophobicContact CD2-CD1 3.77Å; L700-L706 HydrophobicContact CD2-CG 3.91Å; L700-L706 HydrophobicContact CG-CD1 3.9Å
701	L	93.4	Very high	92.3	Very high	49 Å²	49	58 Å²	58	26%	0.257	28%	0.283	S	S	.	.	H	α-helix	trans	-66	-32.5	175.2	-77	172.8	0	0	0	112.8	K543 T544 A547 I571 A697 D698 A699	K543-L701 HydrophobicContact CD-CD2 4.48Å; K543-L701 HydrophobicContact CG-CD2 4.03Å; T544-L701 HydrophobicContact CG2-CD1 4.28Å; A547-L701 HydrophobicContact CB-CD1 4.45Å; A547-L701 HydrophobicContact CB-CD2 3.8Å; A547-L701 HydrophobicContact CB-CG 3.69Å; I571-L701 HydrophobicContact CD1-CD2 4.39Å; A697-L701 WeakPolarHBondContact O-CG 3.38Å; A697-L701 PolarHBondContact O-N 3.03Å; D698-L701 WeakPolarHBondContact O-CB 3.46Å; D698-L701 PolarHBondContact O-N 3.01Å; A699-L701 VanDerWaalsContact C-N 3.3Å; A699-L701 PolarHBondContact O-N 3.04Å
702	T	91.6	Very high	92.1	Very high	103 Å²	103	54.4 Å²	54.4	63%	0.632	27%	0.269	S	S	*	.	H	α-helix	trans	-80.7	-50.1	178.9	-55.4	0	0	0	0	112.8	D698 A699 L700	D698-T702 PolarHBondContact O-N 3.48Å; D698-T702 VanDerWaalsContact O-N 3.12Å; D698-T702 PolarHBondContact O-OG1 3.47Å; A699-T702 PolarHBondContact O-N 3.37Å; L700-T702 VanDerWaalsContact C-N 3.3Å; L700-T702 PolarHBondContact O-N 2.95Å
703	Y	90.6	Very high	91.9	Very high	98 Å²	98	55.1 Å²	55.1	38%	0.384	27%	0.273	S	S	.	.	H	α-helix	trans	-100.1	-11	-171.2	-59.9	-76.9	0	0	0	114	A699 T705 L706 L720 D721	A699-Y703 WeakPolarHBondContact O-CD2 3.33Å; A699-Y703 PolarHBondContact O-N 3.36Å; Y703-T705 PolarHBondContact O-N 3.34Å; Y703-L706 HydrophobicContact CD2-CD2 4.2Å; Y703-L706 HydrophobicContact CG-CD2 4.4Å; Y703-L720 HydrophobicContact CD2-CD1 3.83Å; Y703-L720 HydrophobicContact CE2-CB 4.1Å; Y703-L720 HydrophobicContact CE2-CD1 3.69Å; Y703-L720 HydrophobicContact CE2-CG 4.48Å; Y703-D721 PolarHBondContact OH-OD1 2.92Å
704	E	90.4	Very high	91.7	Very high	74 Å²	74	55.5 Å²	55.5	35%	0.346	28%	0.276	S	S	.	.	S	Bend	trans	64.6	-27.6	179.9	-51.9	-175.1	143	0	0	116.1	K543 T570 I571 M572 L700	K543-E704 IonicContact NZ-OE1 3.54Å; K543-E704 PolarHBondContact NZ-OE1 3.05Å; T570-E704 WeakPolarHBondContact CA-O 3.43Å; T570-E704 PolarHBondContact OG1-O 3.43Å; I571-E704 HydrophobicContact CG1-CB 4.22Å; I571-E704 WeakPolarHBondContact CG1-O 3.43Å; I571-E704 PolarHBondContact N-O 3.05Å; M572-E704 HydrophobicContact CG-CB 4.21Å; M572-E704 HydrophobicContact SD-CB 4.06Å; M572-E704 HydrophobicContact SD-CG 4.49Å; M572-E704 VanDerWaalsContact SD-OE2 3.42Å; L700-E704 WeakPolarHBondContact O-CA 3.45Å; L700-E704 PolarHBondContact O-N 2.84Å
705	T	90.4	Very high	91.4	Very high	43 Å²	43	51.1 Å²	51.1	26%	0.264	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	137.6	178.5	-60.6	0	0	0	0	108.8	K568 A569 T570 Y703	K568-T705 HydrophobicContact CD-CG2 4.21Å; K568-T705 VanDerWaalsContact CE-CG2 3.43Å; K568-T705 HydrophobicContact CG-CG2 4.13Å; A569-T705 CarbonylContact O-C 3.58Å; A569-T705 WeakPolarHBondContact O-CA 3.22Å; T570-T705 PolarHBondContact OG1-OG1 2.95Å; Y703-T705 PolarHBondContact O-N 3.34Å
706	L	91.4	Very high	91	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	133.1	176.4	-63.4	173.3	0	0	0	110.2	K568 A569 L696 A699 L700 Y703 E710 I711 L720	K568-L706 CarbonylContact C-O 3.59Å; K568-L706 WeakPolarHBondContact CA-O 3.46Å; A569-L706 PolarHBondContact N-O 2.85Å; A569-L706 PolarHBondContact O-N 3.4Å; L696-L706 HydrophobicContact CD1-CD1 3.77Å; A699-L706 HydrophobicContact CB-CD1 3.88Å; L700-L706 HydrophobicContact CD2-CB 4.32Å; L700-L706 HydrophobicContact CD2-CD1 3.77Å; L700-L706 HydrophobicContact CD2-CG 3.91Å; L700-L706 HydrophobicContact CG-CD1 3.9Å; Y703-L706 HydrophobicContact CD2-CD2 4.2Å; Y703-L706 HydrophobicContact CG-CD2 4.4Å; L706-E710 WeakPolarHBondContact CA-OE2 3.29Å; L706-E710 HydrophobicContact CB-CB 4.46Å; L706-E710 HydrophobicContact CD2-CB 4.24Å; L706-I711 HydrophobicContact CB-CD1 4.4Å; L706-I711 HydrophobicContact CB-CG1 3.74Å; L706-L720 HydrophobicContact CD2-CD1 3.56Å
707	D	90.1	Very high	90.3	Very high	61 Å²	61	52.9 Å²	52.9	33%	0.326	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	163.4	173	-72.5	-18.5	0	0	0	111.6	K709 E710 I711	D707-K709 VanDerWaalsContact C-N 3.25Å; D707-K709 PolarHBondContact O-N 2.86Å; D707-K709 VanDerWaalsContact O-N 3.14Å; D707-E710 HydrophobicContact CB-CG 4.35Å; D707-E710 PolarHBondContact N-OE2 3.32Å; D707-E710 WeakPolarHBondContact O-CA 3.44Å; D707-E710 WeakPolarHBondContact O-CB 3.49Å; D707-E710 PolarHBondContact O-N 3.48Å; D707-I711 WeakPolarHBondContact O-CG1 3.25Å; D707-I711 PolarHBondContact O-N 3.13Å
708	A	87.7	Confident	89.7	Confident	36 Å²	36	58.8 Å²	58.8	30%	0.298	31%	0.306	S	S	.	.	H	α-helix	trans	-50.1	-43.5	-178.8	0	0	0	0	0	113.8	I566 N567 I711 Q712	I566-A708 WeakPolarHBondContact O-CB 3.48Å; N567-A708 WeakPolarHBondContact O-CB 3.31Å; N567-A708 PolarHBondContact O-N 3.39Å; A708-I711 PolarHBondContact O-N 2.95Å; A708-Q712 PolarHBondContact O-N 3.48Å
709	K	88.8	Confident	88.7	Confident	159 Å²	159	59.4 Å²	59.4	69%	0.691	32%	0.316	S	S	*	.	H	α-helix	trans	-66.4	-40.3	178.6	-66.1	179.9	-178.4	174.5	0	111.6	D707 Q712 M713	D707-K709 VanDerWaalsContact C-N 3.25Å; D707-K709 PolarHBondContact O-N 2.86Å; D707-K709 VanDerWaalsContact O-N 3.14Å; K709-Q712 PolarHBondContact O-N 3.22Å; K709-M713 HydrophobicContact CB-CE 4.31Å; K709-M713 WeakPolarHBondContact O-CG 3.26Å; K709-M713 PolarHBondContact O-N 3.22Å
710	E	90.8	Very high	87.8	Confident	70 Å²	70	60.4 Å²	60.4	33%	0.327	32%	0.319	S	S	.	.	H	α-helix	trans	-69.1	-42.2	179.2	-61.7	174.9	155.8	0	0	110.5	L706 D707 Q712 M713 V714 L720	L706-E710 WeakPolarHBondContact CA-OE2 3.29Å; L706-E710 HydrophobicContact CB-CB 4.46Å; L706-E710 HydrophobicContact CD2-CB 4.24Å; D707-E710 HydrophobicContact CB-CG 4.35Å; D707-E710 PolarHBondContact N-OE2 3.32Å; D707-E710 WeakPolarHBondContact O-CA 3.44Å; D707-E710 WeakPolarHBondContact O-CB 3.49Å; D707-E710 PolarHBondContact O-N 3.48Å; E710-Q712 VanDerWaalsContact C-N 3.31Å; E710-Q712 PolarHBondContact O-N 3.37Å; E710-M713 PolarHBondContact O-N 2.98Å; E710-V714 VanDerWaalsContact O-CG2 3.32Å; E710-V714 WeakPolarHBondContact O-CG2 3.49Å; E710-V714 PolarHBondContact O-N 3.07Å; E710-L720 HydrophobicContact CB-CD1 4.43Å; E710-L720 HydrophobicContact CB-CD2 3.66Å; E710-L720 HydrophobicContact CG-CD2 4.02Å
711	I	90.4	Very high	85.9	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.015	35%	0.35	C	S	.	.	H	α-helix	trans	-56.5	-48.4	172.9	-64.9	169.9	0	0	0	109.6	I566 A569 L696 L706 D707 A708 M713 V714 L715	I566-I711 HydrophobicContact CG2-CD1 3.69Å; A569-I711 HydrophobicContact CB-CD1 3.92Å; L696-I711 HydrophobicContact CD1-CG1 4.3Å; L696-I711 HydrophobicContact CD1-CG2 4.11Å; L696-I711 HydrophobicContact CD2-CG2 4.43Å; L706-I711 HydrophobicContact CB-CD1 4.4Å; L706-I711 HydrophobicContact CB-CG1 3.74Å; D707-I711 WeakPolarHBondContact O-CG1 3.25Å; D707-I711 PolarHBondContact O-N 3.13Å; A708-I711 PolarHBondContact O-N 2.95Å; I711-M713 VanDerWaalsContact C-N 3.35Å; I711-M713 PolarHBondContact O-N 3.38Å; I711-V714 PolarHBondContact O-N 3Å; I711-L715 HydrophobicContact CG2-CD1 3.97Å; I711-L715 HydrophobicContact CG2-CG 4.38Å; I711-L715 VanDerWaalsContact O-CG 3.25Å; I711-L715 WeakPolarHBondContact O-CG 3.43Å; I711-L715 PolarHBondContact O-N 3.26Å
712	Q	90.1	Very high	83.5	Confident	87 Å²	87	75.4 Å²	75.4	41%	0.407	39%	0.391	S	S	.	.	H	α-helix	trans	-59.8	-43.6	177.6	-172.1	-179.6	-8.2	0	0	112.1	A708 K709 E710 V714 L715 E716	A708-Q712 PolarHBondContact O-N 3.48Å; K709-Q712 PolarHBondContact O-N 3.22Å; E710-Q712 VanDerWaalsContact C-N 3.31Å; E710-Q712 PolarHBondContact O-N 3.37Å; Q712-V714 PolarHBondContact O-N 3.04Å; Q712-L715 PolarHBondContact O-N 2.86Å; Q712-E716 PolarHBondContact NE2-OE1 3.05Å; Q712-E716 WeakPolarHBondContact O-CG 3.34Å; Q712-E716 PolarHBondContact O-N 3.09Å
713	M	90.4	Very high	83.1	Confident	65 Å²	65	74 Å²	74	32%	0.32	38%	0.379	S	S	.	.	H	α-helix	trans	-61.4	-42	176.6	-71.1	-177.4	-143.3	0	0	112.5	K709 E710 I711 L715 E716 G717 K718 L720	K709-M713 HydrophobicContact CB-CE 4.31Å; K709-M713 WeakPolarHBondContact O-CG 3.26Å; K709-M713 PolarHBondContact O-N 3.22Å; E710-M713 PolarHBondContact O-N 2.98Å; I711-M713 VanDerWaalsContact C-N 3.35Å; I711-M713 PolarHBondContact O-N 3.38Å; M713-L715 VanDerWaalsContact C-N 3.35Å; M713-E716 CarbonylContact O-C 3.58Å; M713-E716 PolarHBondContact O-N 3.04Å; M713-G717 PolarHBondContact O-N 3.21Å; M713-G717 VanDerWaalsContact O-N 3.1Å; M713-K718 HydrophobicContact CB-CB 4.3Å; M713-K718 PolarHBondContact O-N 3.16Å; M713-L720 HydrophobicContact CB-CD2 4.09Å; M713-L720 HydrophobicContact SD-CD2 4.42Å
714	V	89.6	Confident	82.7	Confident	13 Å²	13	72.7 Å²	72.7	8%	0.079	38%	0.379	C	S	.	.	H	α-helix	trans	-64	-41	177.3	172.3	0	0	0	0	111.1	K695 L696 A699 E710 I711 Q712 G717 L720	K695-V714 HydrophobicContact CB-CG1 4.38Å; L696-V714 HydrophobicContact CD1-CG1 4.2Å; A699-V714 HydrophobicContact CB-CG1 4.06Å; A699-V714 HydrophobicContact CB-CG2 4.05Å; E710-V714 VanDerWaalsContact O-CG2 3.32Å; E710-V714 WeakPolarHBondContact O-CG2 3.49Å; E710-V714 PolarHBondContact O-N 3.07Å; I711-V714 PolarHBondContact O-N 3Å; Q712-V714 PolarHBondContact O-N 3.04Å; V714-G717 PolarHBondContact O-N 3.01Å; V714-G717 VanDerWaalsContact O-N 3.08Å; V714-L720 HydrophobicContact CG2-CD1 3.48Å; V714-L720 VanDerWaalsContact CG2-CD1 3.48Å; V714-L720 HydrophobicContact CG2-CD2 4.15Å; V714-L720 HydrophobicContact CG2-CG 3.78Å
715	L	87.6	Confident	82.3	Confident	22 Å²	22	72.7 Å²	72.7	12%	0.115	38%	0.381	C	S	.	.	H	α-helix	trans	-66.5	-37	176.9	-65.6	175.8	0	0	0	112	I555 Y558 E692 I711 Q712 M713 G717	I555-L715 HydrophobicContact CD1-CD2 3.47Å; I555-L715 VanDerWaalsContact CD1-CD2 3.47Å; Y558-L715 HydrophobicContact CD1-CD1 3.74Å; Y558-L715 HydrophobicContact CD2-CD1 3.92Å; Y558-L715 HydrophobicContact CE1-CD1 3.83Å; Y558-L715 HydrophobicContact CE2-CD1 4.01Å; Y558-L715 HydrophobicContact CG-CD1 3.78Å; E692-L715 HydrophobicContact CB-CD2 3.98Å; I711-L715 HydrophobicContact CG2-CD1 3.97Å; I711-L715 HydrophobicContact CG2-CG 4.38Å; I711-L715 VanDerWaalsContact O-CG 3.25Å; I711-L715 WeakPolarHBondContact O-CG 3.43Å; I711-L715 PolarHBondContact O-N 3.26Å; Q712-L715 PolarHBondContact O-N 2.86Å; M713-L715 VanDerWaalsContact C-N 3.35Å; L715-G717 PolarHBondContact O-N 2.82Å
716	E	86.3	Confident	81.8	Confident	97 Å²	97	74.4 Å²	74.4	45%	0.453	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-8.5	172.6	-70.2	176	-168.7	0	0	113.3	Q712 M713 K718	Q712-E716 PolarHBondContact NE2-OE1 3.05Å; Q712-E716 WeakPolarHBondContact O-CG 3.34Å; Q712-E716 PolarHBondContact O-N 3.09Å; M713-E716 CarbonylContact O-C 3.58Å; M713-E716 PolarHBondContact O-N 3.04Å; E716-K718 WeakPolarHBondContact OE2-CE 3.47Å; E716-K718 IonicContact OE2-NZ 2.69Å; E716-K718 PolarHBondContact OE2-NZ 3.44Å
717	G	80.4	Confident	81.2	Confident	48 Å²	48	79.1 Å²	79.1	50%	0.495	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	19	179.4	0	0	0	0	0	114.7	M713 V714 L715	M713-G717 PolarHBondContact O-N 3.21Å; M713-G717 VanDerWaalsContact O-N 3.1Å; V714-G717 PolarHBondContact O-N 3.01Å; V714-G717 VanDerWaalsContact O-N 3.08Å; L715-G717 PolarHBondContact O-N 2.82Å
718	K	81.5	Confident	80.6	Confident	124 Å²	124	80.3 Å²	80.3	54%	0.539	42%	0.418	S	S	.	.			trans	-83.4	145.9	173.2	-65.8	170.4	-179.6	160.4	0	109.9	M713 E716	M713-K718 HydrophobicContact CB-CB 4.3Å; M713-K718 PolarHBondContact O-N 3.16Å; E716-K718 WeakPolarHBondContact OE2-CE 3.47Å; E716-K718 IonicContact OE2-NZ 2.69Å; E716-K718 PolarHBondContact OE2-NZ 3.44Å
719	S	74.2	Confident	80.1	Confident	83 Å²	83	83.4 Å²	83.4	58%	0.58	43%	0.426	S	S	*	.			trans	-73.3	140.8	173.6	53.3	0	0	0	0	110.5	D721	S719-D721 VanDerWaalsContact C-N 3.26Å
720	L	73.4	Confident	79.4	Confident	33 Å²	33	77.6 Å²	77.6	17%	0.173	41%	0.406	C	S	.	.			trans	-81.3	-3.9	175.3	-68.4	173.8	0	0	0	113.4	Y703 L706 E710 M713 V714 H722	Y703-L720 HydrophobicContact CD2-CD1 3.83Å; Y703-L720 HydrophobicContact CE2-CB 4.1Å; Y703-L720 HydrophobicContact CE2-CD1 3.69Å; Y703-L720 HydrophobicContact CE2-CG 4.48Å; L706-L720 HydrophobicContact CD2-CD1 3.56Å; E710-L720 HydrophobicContact CB-CD1 4.43Å; E710-L720 HydrophobicContact CB-CD2 3.66Å; E710-L720 HydrophobicContact CG-CD2 4.02Å; M713-L720 HydrophobicContact CB-CD2 4.09Å; M713-L720 HydrophobicContact SD-CD2 4.42Å; V714-L720 HydrophobicContact CG2-CD1 3.48Å; V714-L720 VanDerWaalsContact CG2-CD1 3.48Å; V714-L720 HydrophobicContact CG2-CD2 4.15Å; V714-L720 HydrophobicContact CG2-CG 3.78Å; L720-H722 PolarHBondContact O-N 3.28Å
721	D	54.9	Low	78.5	Confident	121 Å²	121	78.3 Å²	78.3	65%	0.647	41%	0.412	S	S	*	.			trans	-72.2	98.9	177.3	-64.5	-21.5	0	0	0	110.1	Y703 S719	Y703-D721 PolarHBondContact OH-OD1 2.92Å; S719-D721 VanDerWaalsContact C-N 3.26Å
722	H	43.2	Very low	77.4	Confident	243 Å²	243	85.1 Å²	85.1	100%	1.125	45%	0.448	S	S	*	.			trans	-126.2	0	167.1	-86.6	-42.8	0	0	0	111.3	L720	L720-H722 PolarHBondContact O-N 3.28Å

Retrieved 722 of 722 residues in 1094.2 ms (Link to these results)

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