A0A077Z802_TRITR Loading...

Splicing factor Cactin

AlphaFold DB , UniProt , Accession A0A077Z802, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 650 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	40.6	Very low	31.3	Very low	247 Å²	247	151.1 Å²	151.1	100%	1.217	83%	0.829	S	S	*	*				0	120.7	0	-75.8	-178.5	-172	0	0	107.7
2	E	32.6	Very low	30.9	Very low	180 Å²	180	144.1 Å²	144.1	84%	0.841	81%	0.806	S	S	*	*			trans	-56.1	150.9	165.6	-63.7	168	129.6	0	0	110.6
3	A	36.4	Very low	31	Very low	105 Å²	105	147.8 Å²	147.8	87%	0.868	81%	0.812	S	S	*	*			trans	-153.4	83	140	0	0	0	0	0	107.8
4	T	28	Very low	30.8	Very low	103 Å²	103	144.9 Å²	144.9	63%	0.632	81%	0.808	S	S	*	*			trans	-65.9	169.7	153.7	40.9	0	0	0	0	110.3
5	T	31.2	Very low	31.1	Very low	116 Å²	116	142.3 Å²	142.3	71%	0.712	80%	0.804	S	S	*	*			trans	83.5	141.5	161.4	73.5	0	0	0	0	115.9
6	R	28.9	Very low	31.5	Very low	200 Å²	200	140.3 Å²	140.3	76%	0.755	80%	0.802	S	S	*	*			cis	-175.9	155.9	1.7	-117.2	171.4	175.1	-178.9	-1.4	106.9
7	R	27.1	Very low	31.3	Very low	210 Å²	210	146.5 Å²	146.5	79%	0.792	81%	0.809	S	S	*	*			trans	69.3	143.8	137.4	-83.4	-178.9	162.6	-177.8	-6.6	122.3
8	G	32.7	Very low	31.6	Very low	69 Å²	69	146.1 Å²	146.1	71%	0.711	81%	0.812	S	S	*	*			trans	131.5	73.7	160.2	0	0	0	0	0	110.6
9	E	26.2	Very low	31.6	Very low	180 Å²	180	148.7 Å²	148.7	84%	0.841	82%	0.817	S	S	*	*				54.2	113.7	78.8	-78.2	-173.1	172.6	0	0	115.9
10	G	26.8	Very low	31.6	Very low	81 Å²	81	150.8 Å²	150.8	84%	0.835	82%	0.817	S	S	*	*			trans	93.6	110.8	146.2	0	0	0	0	0	117.5
11	N	33.7	Very low	31.9	Very low	171 Å²	171	150.6 Å²	150.6	91%	0.914	82%	0.816	S	S	*	*				-178.9	154.9	93.2	-149.3	6.2	0	0	0	112.5
12	A	26.9	Very low	31.8	Very low	67 Å²	67	148.3 Å²	148.3	55%	0.554	80%	0.799	S	S	*	*			trans	-92	172	-168.6	0	0	0	0	0	115.4
13	H	31.7	Very low	32	Very low	192 Å²	192	149.6 Å²	149.6	89%	0.889	80%	0.801	S	S	*	*			trans	78.7	143.4	166.2	-59.1	-36.4	0	0	0	116.4
14	S	28.1	Very low	32	Very low	107 Å²	107	153.6 Å²	153.6	75%	0.748	80%	0.802	S	S	*	*			cis	176.4	119	-13.9	156.6	0	0	0	0	103.6
15	S	36.1	Very low	32.6	Very low	107 Å²	107	158 Å²	158	75%	0.748	81%	0.812	S	S	*	*			trans	177.7	120.5	148.3	54.6	0	0	0	0	112.7
16	S	36.7	Very low	32.9	Very low	110 Å²	110	162.3 Å²	162.3	77%	0.769	82%	0.821	S	S	*	*			trans	43	118.1	146.4	63.3	0	0	0	0	121.5
17	R	28.8	Very low	33.2	Very low	246 Å²	246	161.9 Å²	161.9	93%	0.928	83%	0.827	S	S	*	*			trans	-56.4	120.5	164.1	-67.7	167.9	166.4	166.2	-4.9	113
18	T	35.9	Very low	33.8	Very low	139 Å²	139	161.6 Å²	161.6	85%	0.853	83%	0.832	S	S	*	*			trans	-135.8	113.2	151.1	45.5	0	0	0	0	109.9	K20	T18-K20 PolarHBondContact O-N 3.37Å
19	H	31.3	Very low	34.2	Very low	196 Å²	196	163.6 Å²	163.6	91%	0.907	84%	0.835	S	S	*	*			trans	-74.1	112.1	172.1	-101.9	-75.3	0	0	0	109.3
20	K	31.7	Very low	34.7	Very low	190 Å²	190	159.4 Å²	159.4	83%	0.826	83%	0.831	S	S	*	*			trans	-167.6	152.3	149.1	-113.9	171.3	-173.7	178.6	0	113.1	T18	T18-K20 PolarHBondContact O-N 3.37Å
21	D	37.8	Very low	35.3	Very low	147 Å²	147	165.2 Å²	165.2	79%	0.786	83%	0.833	S	S	*	*			trans	100.4	87.1	156.4	-54.7	-26.5	0	0	0	120.1
22	K	38.7	Very low	35.3	Very low	199 Å²	199	165.6 Å²	165.6	87%	0.865	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-46.3	122.7	157.8	-69.4	167.6	176.6	169.2	0	111.5
23	K	38.3	Very low	35.8	Very low	206 Å²	206	173.9 Å²	173.9	90%	0.896	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-57.8	129.6	172	-75.7	177.9	174.5	175.9	0	112.4
24	H	36.2	Very low	35.9	Very low	189 Å²	189	172.9 Å²	172.9	88%	0.875	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-55.1	126.3	175.2	-69.7	-92.9	0	0	0	113.2
25	K	40.5	Very low	36.5	Very low	196 Å²	196	173.1 Å²	173.1	85%	0.852	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-81.6	120.9	164.9	-81.8	-178	175.5	178.1	0	109.1	H27	K25-H27 PolarHBondContact O-N 2.85Å
26	K	37.7	Very low	36.6	Very low	206 Å²	206	173.1 Å²	173.1	90%	0.896	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-54	123.5	176.4	-77	179.2	173.2	179.3	0	111.6	K28	K26-K28 PolarHBondContact O-N 2.76Å
27	H	33.8	Very low	36.6	Very low	191 Å²	191	176.7 Å²	176.7	88%	0.884	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-63.1	117.6	169.4	-72.1	-97.3	0	0	0	110.1	K25	K25-H27 PolarHBondContact O-N 2.85Å
28	K	41.3	Very low	37.1	Very low	205 Å²	205	173.4 Å²	173.4	89%	0.891	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-92.8	120.2	160.8	-82.4	-174.8	175.5	179.2	0	107.9	K26 A30	K26-K28 PolarHBondContact O-N 2.76Å; K28-A30 PolarHBondContact O-N 2.71Å
29	S	39.7	Very low	37.2	Very low	111 Å²	111	174.6 Å²	174.6	78%	0.776	85%	0.845	S	S	*	*			trans	-42.6	125.3	-179.8	51.6	0	0	0	0	113.5	K31	S29-K31 PolarHBondContact O-N 3.09Å; S29-K31 VanDerWaalsContact O-N 3.15Å
30	A	37.9	Very low	37.3	Very low	92 Å²	92	168.2 Å²	168.2	76%	0.76	83%	0.833	S	S	*	*			trans	-65	106.3	170.4	0	0	0	0	0	109.7	K28 H32	K28-A30 PolarHBondContact O-N 2.71Å; A30-H32 VanDerWaalsContact C-N 3.34Å; A30-H32 PolarHBondContact O-N 3.21Å
31	K	39.2	Very low	37.6	Very low	202 Å²	202	171 Å²	171	88%	0.878	84%	0.838	S	S	*	*			trans	-67.1	99.7	161.2	-81.8	-177.1	174.8	179.9	0	107.2	S29 R33	S29-K31 PolarHBondContact O-N 3.09Å; S29-K31 VanDerWaalsContact O-N 3.15Å; K31-R33 PolarHBondContact O-N 2.79Å
32	H	32.5	Very low	37.4	Very low	179 Å²	179	173.1 Å²	173.1	83%	0.829	84%	0.843	S	S	*	*			trans	-47.6	103.8	160.8	-102.9	-101.4	0	0	0	108.1	A30	A30-H32 VanDerWaalsContact C-N 3.34Å; A30-H32 PolarHBondContact O-N 3.21Å
33	R	37.5	Very low	37.5	Very low	241 Å²	241	168.9 Å²	168.9	91%	0.909	84%	0.838	S	S	*	*			trans	-95.4	96.1	163	-149.9	173.5	179.4	173.5	-0.8	104.5	K31 S35	K31-R33 PolarHBondContact O-N 2.79Å; R33-S35 PolarHBondContact O-N 2.84Å
34	E	35.3	Very low	37.3	Very low	171 Å²	171	164.2 Å²	164.2	80%	0.799	83%	0.831	S	S	*	*			trans	-45.5	130.6	170.7	-83.4	-178.7	132	0	0	109.1	S36	E34-S36 VanDerWaalsContact C-N 3.3Å; E34-S36 PolarHBondContact O-N 2.62Å
35	S	39.3	Very low	37.1	Very low	113 Å²	113	162.1 Å²	162.1	79%	0.79	83%	0.827	S	S	*	*			trans	-58.8	94.5	172.1	178.2	0	0	0	0	108.2	R33 K37	R33-S35 PolarHBondContact O-N 2.84Å; S35-K37 VanDerWaalsContact C-N 3.31Å; S35-K37 PolarHBondContact O-N 2.97Å
36	S	39.3	Very low	37.1	Very low	106 Å²	106	157.4 Å²	157.4	74%	0.741	82%	0.819	S	S	*	*			trans	-61.4	100.7	167.1	54.3	0	0	0	0	107.3	E34 L38	E34-S36 VanDerWaalsContact C-N 3.3Å; E34-S36 PolarHBondContact O-N 2.62Å; S36-L38 PolarHBondContact O-N 2.81Å; S36-L38 VanDerWaalsContact O-N 3.09Å
37	K	36.7	Very low	36.8	Very low	185 Å²	185	157.9 Å²	157.9	80%	0.804	82%	0.82	S	S	*	*			trans	-35.8	111.2	167.5	-63.5	168.6	-178.5	172.8	0	108.5	S35 L39	S35-K37 VanDerWaalsContact C-N 3.31Å; S35-K37 PolarHBondContact O-N 2.97Å; K37-L39 VanDerWaalsContact C-N 3.31Å; K37-L39 PolarHBondContact O-N 2.86Å
38	L	39.3	Very low	36.9	Very low	177 Å²	177	152.3 Å²	152.3	93%	0.927	82%	0.815	S	S	*	*			trans	-64.9	102	166.7	-80	168.1	0	0	0	106.8	S36	S36-L38 PolarHBondContact O-N 2.81Å; S36-L38 VanDerWaalsContact O-N 3.09Å
39	L	38.4	Very low	37	Very low	164 Å²	164	148.6 Å²	148.6	86%	0.859	81%	0.812	S	S	*	*			trans	-51.6	136.3	166.2	-72.4	159.9	0	0	0	109.2	K37	K37-L39 VanDerWaalsContact C-N 3.31Å; K37-L39 PolarHBondContact O-N 2.86Å
40	G	33.4	Very low	36.8	Very low	62 Å²	62	148.9 Å²	148.9	64%	0.639	81%	0.813	S	S	*	*			trans	-58.2	134.3	-174.8	0	0	0	0	0	112.4	H42	G40-H42 PolarHBondContact O-N 2.83Å
41	R	36.4	Very low	37.1	Very low	250 Å²	250	153.1 Å²	153.1	94%	0.943	82%	0.818	S	S	*	*			trans	-76.7	105.4	162.5	-165.9	171.1	178	177.9	-1.6	106.9	S43	R41-S43 PolarHBondContact O-N 2.99Å
42	H	34.5	Very low	37.3	Very low	190 Å²	190	146.6 Å²	146.6	88%	0.88	81%	0.808	S	S	*	*			trans	-58.4	112.7	169.5	-70	-86.8	0	0	0	109.4	G40	G40-H42 PolarHBondContact O-N 2.83Å
43	S	39.7	Very low	38	Very low	110 Å²	110	140.7 Å²	140.7	77%	0.769	80%	0.795	S	S	*	*			trans	-108.1	121.6	153.1	-175.6	0	0	0	0	106.4	R41	R41-S43 PolarHBondContact O-N 2.99Å
44	S	34.7	Very low	38.6	Very low	108 Å²	108	133 Å²	133	76%	0.755	78%	0.784	S	S	*	*			trans	-45	131.2	168	47.1	0	0	0	0	112.7
45	N	32.1	Very low	39.4	Very low	146 Å²	146	129.2 Å²	129.2	78%	0.781	77%	0.769	S	S	*	*				157.8	137	107	-160.4	35.5	0	0	0	111.6
46	S	40	Very low	40.3	Very low	97 Å²	97	131.2 Å²	131.2	68%	0.678	76%	0.763	S	S	*	*			trans	59	124.6	151.1	60.5	0	0	0	0	122.9
47	K	33	Very low	41.4	Very low	215 Å²	215	133.1 Å²	133.1	94%	0.935	76%	0.761	S	S	*	*			trans	-40.9	138.9	159	-61.5	166.8	175	175.1	0	114.2
48	G	35.6	Very low	42.4	Very low	74 Å²	74	129.7 Å²	129.7	76%	0.763	75%	0.746	S	S	*	*			trans	-175.3	130.9	164.6	0	0	0	0	0	111.2
49	P	42	Very low	43.1	Very low	128 Å²	128	128.4 Å²	128.4	83%	0.831	73%	0.73	S	S	*	*			trans	-95.6	145.8	-153.7	35.8	-34.5	0	0	0	116.5
50	S	36.9	Very low	44.7	Very low	116 Å²	116	126.3 Å²	126.3	81%	0.811	72%	0.715	S	S	*	*			trans	24.3	97.9	139.1	-171.2	0	0	0	0	120
51	E	43.1	Very low	46.4	Very low	181 Å²	181	128.4 Å²	128.4	85%	0.846	71%	0.711	S	S	*	*			trans	-147	101.4	137.6	-92.9	-162.7	161.5	0	0	108.9
52	G	43.3	Very low	47.8	Very low	65 Å²	65	119.4 Å²	119.4	67%	0.67	68%	0.682	S	S	*	*			trans	-106.9	16.8	-159.5	0	0	0	0	0	116.7
53	G	47.6	Very low	49.4	Very low	55 Å²	55	116.3 Å²	116.3	57%	0.567	67%	0.668	S	S	*	*	S	Bend	trans	-88.2	-61.8	178.7	0	0	0	0	0	112.8	N55 K56	G53-N55 VanDerWaalsContact C-N 3.32Å; G53-N55 PolarHBondContact O-N 3.33Å; G53-K56 PolarHBondContact O-N 2.83Å
54	A	50.1	Low	51.1	Low	81 Å²	81	115.5 Å²	115.5	67%	0.669	65%	0.654	S	S	*	*	H	α-helix	trans	-67.7	-27.3	-171.3	0	0	0	0	0	114.3	F58	A54-F58 PolarHBondContact O-N 3.23Å
55	N	51.6	Low	53	Low	91 Å²	91	115.3 Å²	115.3	49%	0.487	64%	0.643	S	S	.	*	H	α-helix	trans	-71.4	-31.4	-178.7	-82.9	-39.6	0	0	0	113.2	G53 F58 Y59	G53-N55 VanDerWaalsContact C-N 3.32Å; G53-N55 PolarHBondContact O-N 3.33Å; N55-F58 PolarHBondContact O-N 3.31Å; N55-Y59 HydrophobicContact CB-CD2 4.43Å; N55-Y59 HydrophobicContact CB-CE2 4.26Å; N55-Y59 WeakPolarHBondContact O-CD2 3.35Å; N55-Y59 PolarHBondContact O-N 3.36Å
56	K	58.2	Low	54.9	Low	154 Å²	154	115.8 Å²	115.8	67%	0.67	63%	0.634	S	S	*	*	H	α-helix	trans	-69.9	-43.6	-175.1	-141	179	-175.7	-174.9	0	111.2	G53 F58 Y59 E60	G53-K56 PolarHBondContact O-N 2.83Å; K56-F58 VanDerWaalsContact C-N 3.31Å; K56-F58 PolarHBondContact O-N 3.09Å; K56-Y59 PolarHBondContact O-N 2.93Å; K56-E60 PolarHBondContact O-N 3.42Å
57	E	63.1	Low	56.7	Low	147 Å²	147	114.9 Å²	114.9	69%	0.687	62%	0.624	S	S	*	*	H	α-helix	trans	-62.1	-38.5	172.4	-64.4	-175.7	170.1	0	0	111.6	L61	E57-L61 WeakPolarHBondContact O-CB 3.04Å; E57-L61 PolarHBondContact O-N 3.14Å
58	F	58.2	Low	58.8	Low	112 Å²	112	110.5 Å²	110.5	49%	0.491	61%	0.607	S	S	.	*	H	α-helix	trans	-63.5	-45	175.1	-179.3	-101.9	0	0	0	112.7	A54 N55 K56 L61 L62	A54-F58 PolarHBondContact O-N 3.23Å; N55-F58 PolarHBondContact O-N 3.31Å; K56-F58 VanDerWaalsContact C-N 3.31Å; K56-F58 PolarHBondContact O-N 3.09Å; F58-L61 PolarHBondContact O-N 2.94Å; F58-L62 HydrophobicContact CD1-CD1 4.45Å; F58-L62 HydrophobicContact CE1-CD1 3.78Å; F58-L62 HydrophobicContact CE2-CD1 4.12Å; F58-L62 HydrophobicContact CZ-CD1 3.58Å; F58-L62 WeakPolarHBondContact O-CB 3.12Å; F58-L62 PolarHBondContact O-N 2.93Å
59	Y	54	Low	60.8	Low	151 Å²	151	110.1 Å²	110.1	59%	0.592	59%	0.59	S	S	*	*	H	α-helix	trans	-67.8	-40.1	177.1	-75.9	-68.2	0	0	0	112.6	N55 K56 L62 E63	N55-Y59 HydrophobicContact CB-CD2 4.43Å; N55-Y59 HydrophobicContact CB-CE2 4.26Å; N55-Y59 WeakPolarHBondContact O-CD2 3.35Å; N55-Y59 PolarHBondContact O-N 3.36Å; K56-Y59 PolarHBondContact O-N 2.93Å; Y59-L62 WeakPolarHBondContact O-CB 3.4Å; Y59-L62 PolarHBondContact O-N 3.43Å; Y59-E63 WeakPolarHBondContact O-CB 3.41Å; Y59-E63 PolarHBondContact O-N 3.39Å
60	E	71.4	Confident	62.7	Low	120 Å²	120	111.4 Å²	111.4	56%	0.561	58%	0.582	S	S	*	*	H	α-helix	trans	-63.6	-42.5	173.4	-85	-177.4	167.3	0	0	111.5	K56 L62 E63 N64	K56-E60 PolarHBondContact O-N 3.42Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 3.18Å; E60-E63 PolarHBondContact O-N 3.15Å; E60-N64 VanDerWaalsContact O-CB 3.29Å; E60-N64 WeakPolarHBondContact O-CB 3.4Å; E60-N64 PolarHBondContact O-N 3.37Å; E60-N64 PolarHBondContact O-ND2 3.3Å
61	L	68.6	Low	64.9	Low	106 Å²	106	110 Å²	110	56%	0.555	56%	0.563	S	S	*	*	H	α-helix	trans	-61.1	-42.1	173.1	-176.4	64.3	0	0	0	111	E57 F58 E63 N64 M65	E57-L61 WeakPolarHBondContact O-CB 3.04Å; E57-L61 PolarHBondContact O-N 3.14Å; F58-L61 PolarHBondContact O-N 2.94Å; L61-E63 PolarHBondContact O-N 3.16Å; L61-N64 PolarHBondContact O-N 3.26Å; L61-M65 HydrophobicContact CD1-CG 4.45Å; L61-M65 HydrophobicContact CG-CG 4.46Å; L61-M65 VanDerWaalsContact O-CB 3.26Å; L61-M65 WeakPolarHBondContact O-CB 3.49Å; L61-M65 WeakPolarHBondContact O-CG 3.36Å; L61-M65 PolarHBondContact O-N 3.15Å
62	L	66.8	Low	66.9	Low	60 Å²	60	110.9 Å²	110.9	31%	0.314	56%	0.558	S	S	.	*	H	α-helix	trans	-63.9	-40.6	177.2	-134.5	97.2	0	0	0	112.1	F58 Y59 E60 M65 R66	F58-L62 HydrophobicContact CD1-CD1 4.45Å; F58-L62 HydrophobicContact CE1-CD1 3.78Å; F58-L62 HydrophobicContact CE2-CD1 4.12Å; F58-L62 HydrophobicContact CZ-CD1 3.58Å; F58-L62 WeakPolarHBondContact O-CB 3.12Å; F58-L62 PolarHBondContact O-N 2.93Å; Y59-L62 WeakPolarHBondContact O-CB 3.4Å; Y59-L62 PolarHBondContact O-N 3.43Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 3.18Å; L62-M65 PolarHBondContact O-N 3.05Å; L62-R66 WeakPolarHBondContact O-CB 3.46Å; L62-R66 VanDerWaalsContact O-CG 3.24Å; L62-R66 WeakPolarHBondContact O-CG 3.29Å; L62-R66 PolarHBondContact O-N 3.09Å
63	E	67.7	Low	68.8	Low	126 Å²	126	114 Å²	114	59%	0.589	55%	0.553	S	S	*	*	H	α-helix	trans	-69.4	-44.1	178.1	-170	155.1	-143.8	0	0	111.2	Y59 E60 L61 M65 R66 V67	Y59-E63 WeakPolarHBondContact O-CB 3.41Å; Y59-E63 PolarHBondContact O-N 3.39Å; E60-E63 PolarHBondContact O-N 3.15Å; L61-E63 PolarHBondContact O-N 3.16Å; E63-M65 VanDerWaalsContact C-N 3.33Å; E63-M65 PolarHBondContact O-N 3.02Å; E63-R66 WeakPolarHBondContact O-CB 3.21Å; E63-R66 PolarHBondContact O-N 2.84Å; E63-R66 VanDerWaalsContact O-N 3.12Å; E63-V67 WeakPolarHBondContact O-CG2 3.26Å; E63-V67 PolarHBondContact O-N 3.37Å
64	N	76.2	Confident	70.6	Confident	92 Å²	92	119.8 Å²	119.8	49%	0.492	56%	0.558	S	S	.	*	H	α-helix	trans	-59.2	-43.9	172.2	-74	-22.4	0	0	0	111.4	E60 L61 R66 V67 Q68	E60-N64 VanDerWaalsContact O-CB 3.29Å; E60-N64 WeakPolarHBondContact O-CB 3.4Å; E60-N64 PolarHBondContact O-N 3.37Å; E60-N64 PolarHBondContact O-ND2 3.3Å; L61-N64 PolarHBondContact O-N 3.26Å; N64-R66 PolarHBondContact O-N 3.37Å; N64-V67 PolarHBondContact O-N 3.46Å; N64-Q68 WeakPolarHBondContact O-CB 3.4Å; N64-Q68 VanDerWaalsContact O-CG 3.31Å; N64-Q68 WeakPolarHBondContact O-CG 3.45Å; N64-Q68 PolarHBondContact O-N 3.36Å
65	M	73.3	Confident	72.3	Confident	104 Å²	104	123.3 Å²	123.3	51%	0.512	55%	0.554	S	S	.	*	H	α-helix	trans	-62.6	-39.7	174.3	-74.8	-71.5	-81.1	0	0	111.9	L61 L62 E63 T69	L61-M65 HydrophobicContact CD1-CG 4.45Å; L61-M65 HydrophobicContact CG-CG 4.46Å; L61-M65 VanDerWaalsContact O-CB 3.26Å; L61-M65 WeakPolarHBondContact O-CB 3.49Å; L61-M65 WeakPolarHBondContact O-CG 3.36Å; L61-M65 PolarHBondContact O-N 3.15Å; L62-M65 PolarHBondContact O-N 3.05Å; E63-M65 VanDerWaalsContact C-N 3.33Å; E63-M65 PolarHBondContact O-N 3.02Å; M65-T69 WeakPolarHBondContact O-CB 3.24Å; M65-T69 PolarHBondContact O-N 2.86Å; M65-T69 PolarHBondContact O-OG1 2.85Å
66	R	73.3	Confident	73.9	Confident	157 Å²	157	127.4 Å²	127.4	59%	0.592	56%	0.563	S	S	*	*	H	α-helix	trans	-65.2	-42.3	174.6	-76.5	168.7	178.6	-178	2.4	111.8	L62 E63 N64 T69 K70	L62-R66 WeakPolarHBondContact O-CB 3.46Å; L62-R66 VanDerWaalsContact O-CG 3.24Å; L62-R66 WeakPolarHBondContact O-CG 3.29Å; L62-R66 PolarHBondContact O-N 3.09Å; E63-R66 WeakPolarHBondContact O-CB 3.21Å; E63-R66 PolarHBondContact O-N 2.84Å; E63-R66 VanDerWaalsContact O-N 3.12Å; N64-R66 PolarHBondContact O-N 3.37Å; R66-T69 PolarHBondContact O-N 3.44Å; R66-K70 WeakPolarHBondContact O-CB 3.26Å; R66-K70 VanDerWaalsContact O-CG 3.31Å; R66-K70 WeakPolarHBondContact O-CG 3.36Å; R66-K70 PolarHBondContact O-N 3.26Å
67	V	77.1	Confident	75.2	Confident	78 Å²	78	126.6 Å²	126.6	47%	0.473	56%	0.559	S	S	.	*	H	α-helix	trans	-65.3	-50.7	177.4	172.8	0	0	0	0	110	E63 N64 T69 K70 E71	E63-V67 WeakPolarHBondContact O-CG2 3.26Å; E63-V67 PolarHBondContact O-N 3.37Å; N64-V67 PolarHBondContact O-N 3.46Å; V67-T69 VanDerWaalsContact C-N 3.3Å; V67-T69 PolarHBondContact O-N 3.24Å; V67-K70 WeakPolarHBondContact O-CB 3.42Å; V67-K70 PolarHBondContact O-N 3.47Å; V67-K70 VanDerWaalsContact O-N 3.14Å; V67-E71 WeakPolarHBondContact O-CB 3.46Å; V67-E71 PolarHBondContact O-N 2.9Å
68	Q	77.7	Confident	76.3	Confident	123 Å²	123	125.1 Å²	125.1	58%	0.575	55%	0.553	S	S	*	*	H	α-helix	trans	-58.6	-40.4	175.3	-72.8	-174.3	18.6	0	0	111.8	N64 E71 R72	N64-Q68 WeakPolarHBondContact O-CB 3.4Å; N64-Q68 VanDerWaalsContact O-CG 3.31Å; N64-Q68 WeakPolarHBondContact O-CG 3.45Å; N64-Q68 PolarHBondContact O-N 3.36Å; Q68-E71 PolarHBondContact O-N 3.39Å; Q68-R72 VanDerWaalsContact O-CB 3.24Å; Q68-R72 WeakPolarHBondContact O-CB 3.43Å; Q68-R72 PolarHBondContact O-N 2.84Å
69	T	76.9	Confident	77.6	Confident	65 Å²	65	125.2 Å²	125.2	40%	0.399	56%	0.557	S	S	.	*	H	α-helix	trans	-66	-42.4	176.4	-59.6	0	0	0	0	111.7	M65 R66 V67 E71 K73	M65-T69 WeakPolarHBondContact O-CB 3.24Å; M65-T69 PolarHBondContact O-N 2.86Å; M65-T69 PolarHBondContact O-OG1 2.85Å; R66-T69 PolarHBondContact O-N 3.44Å; V67-T69 VanDerWaalsContact C-N 3.3Å; V67-T69 PolarHBondContact O-N 3.24Å; T69-E71 VanDerWaalsContact C-N 3.35Å; T69-K73 HydrophobicContact CG2-CD 4.28Å; T69-K73 WeakPolarHBondContact O-CB 3.46Å; T69-K73 VanDerWaalsContact O-CG 3.26Å; T69-K73 WeakPolarHBondContact O-CG 3.31Å; T69-K73 PolarHBondContact O-N 3.12Å
70	K	80.7	Confident	78.9	Confident	156 Å²	156	122.3 Å²	122.3	68%	0.678	55%	0.552	S	S	*	*	H	α-helix	trans	-62.7	-42.9	174.5	-79.2	174.5	-178.5	174.3	0	110.9	R66 V67 K73 R74	R66-K70 WeakPolarHBondContact O-CB 3.26Å; R66-K70 VanDerWaalsContact O-CG 3.31Å; R66-K70 WeakPolarHBondContact O-CG 3.36Å; R66-K70 PolarHBondContact O-N 3.26Å; V67-K70 WeakPolarHBondContact O-CB 3.42Å; V67-K70 PolarHBondContact O-N 3.47Å; V67-K70 VanDerWaalsContact O-N 3.14Å; K70-K73 PolarHBondContact O-N 3.3Å; K70-R74 WeakPolarHBondContact O-CB 3.43Å; K70-R74 PolarHBondContact O-N 2.9Å
71	E	84.4	Confident	79.6	Confident	85 Å²	85	122.4 Å²	122.4	40%	0.397	55%	0.55	S	S	.	*	H	α-helix	trans	-67.8	-45.3	179.2	-159.2	-173.2	162.9	0	0	111.5	V67 Q68 T69 K73 R74 R75	V67-E71 WeakPolarHBondContact O-CB 3.46Å; V67-E71 PolarHBondContact O-N 2.9Å; Q68-E71 PolarHBondContact O-N 3.39Å; T69-E71 VanDerWaalsContact C-N 3.35Å; E71-K73 VanDerWaalsContact C-N 3.32Å; E71-K73 PolarHBondContact O-N 3.45Å; E71-R74 CarbonylContact O-C 3.57Å; E71-R74 WeakPolarHBondContact O-CA 3.49Å; E71-R74 WeakPolarHBondContact O-CB 3.25Å; E71-R74 PolarHBondContact O-N 2.93Å; E71-R75 WeakPolarHBondContact O-CG 3.44Å; E71-R75 PolarHBondContact O-N 3.39Å; E71-R75 IonicContact OE1-CZ 2.74Å; E71-R75 IonicContact OE1-NE 3.46Å; E71-R75 PolarHBondContact OE1-NE 3.45Å; E71-R75 IonicContact OE1-NH2 3.75Å; E71-R75 PolarHBondContact OE1-NH2 2.87Å
72	R	85.5	Confident	80.3	Confident	200 Å²	200	121.6 Å²	121.6	76%	0.755	55%	0.554	S	S	*	*	H	α-helix	trans	-58.5	-41.4	172.4	-176.6	176.9	165.4	-169.4	-3.4	111.7	Q68 R76	Q68-R72 VanDerWaalsContact O-CB 3.24Å; Q68-R72 WeakPolarHBondContact O-CB 3.43Å; Q68-R72 PolarHBondContact O-N 2.84Å; R72-R76 WeakPolarHBondContact O-CB 3.32Å; R72-R76 PolarHBondContact O-N 3.45Å
73	K	83	Confident	81.2	Confident	130 Å²	130	124.2 Å²	124.2	57%	0.565	57%	0.572	S	S	*	*	H	α-helix	trans	-65.1	-37.2	173.1	-77	175.8	-178.9	178.1	0	112.1	T69 K70 E71 K77	T69-K73 HydrophobicContact CG2-CD 4.28Å; T69-K73 WeakPolarHBondContact O-CB 3.46Å; T69-K73 VanDerWaalsContact O-CG 3.26Å; T69-K73 WeakPolarHBondContact O-CG 3.31Å; T69-K73 PolarHBondContact O-N 3.12Å; K70-K73 PolarHBondContact O-N 3.3Å; E71-K73 VanDerWaalsContact C-N 3.32Å; E71-K73 PolarHBondContact O-N 3.45Å; K73-K77 WeakPolarHBondContact O-CB 3.45Å; K73-K77 VanDerWaalsContact O-CG 3.22Å; K73-K77 WeakPolarHBondContact O-CG 3.42Å; K73-K77 PolarHBondContact O-N 3.38Å
74	R	84.3	Confident	81.9	Confident	178 Å²	178	119.4 Å²	119.4	67%	0.672	55%	0.549	S	S	*	.	H	α-helix	trans	-67	-52.2	175.9	-178.3	-177.8	172.7	178.8	-1.1	110.7	K70 E71 R76 K77 E78	K70-R74 WeakPolarHBondContact O-CB 3.43Å; K70-R74 PolarHBondContact O-N 2.9Å; E71-R74 CarbonylContact O-C 3.57Å; E71-R74 WeakPolarHBondContact O-CA 3.49Å; E71-R74 WeakPolarHBondContact O-CB 3.25Å; E71-R74 PolarHBondContact O-N 2.93Å; R74-R76 VanDerWaalsContact C-N 3.33Å; R74-R76 PolarHBondContact O-N 3.47Å; R74-K77 CarbonylContact O-C 3.6Å; R74-K77 WeakPolarHBondContact O-CB 3.33Å; R74-K77 PolarHBondContact O-N 3.08Å; R74-K77 VanDerWaalsContact O-N 3.1Å; R74-E78 WeakPolarHBondContact O-CB 3.32Å; R74-E78 PolarHBondContact O-N 3.44Å
75	R	85.9	Confident	82.4	Confident	155 Å²	155	119.1 Å²	119.1	59%	0.585	55%	0.551	S	S	*	*	H	α-helix	trans	-57.1	-44.1	175.4	-68.8	-175.2	-171.5	-167.3	3.1	111.2	E71 K77 E78 L79	E71-R75 WeakPolarHBondContact O-CG 3.44Å; E71-R75 PolarHBondContact O-N 3.39Å; E71-R75 IonicContact OE1-CZ 2.74Å; E71-R75 IonicContact OE1-NE 3.46Å; E71-R75 PolarHBondContact OE1-NE 3.45Å; E71-R75 IonicContact OE1-NH2 3.75Å; E71-R75 PolarHBondContact OE1-NH2 2.87Å; R75-K77 PolarHBondContact O-N 3.38Å; R75-E78 PolarHBondContact O-N 3.41Å; R75-L79 WeakPolarHBondContact O-CB 3.45Å; R75-L79 PolarHBondContact O-N 2.83Å
76	R	85.2	Confident	83.1	Confident	177 Å²	177	118.4 Å²	118.4	67%	0.668	56%	0.562	S	S	*	*	H	α-helix	trans	-61.4	-42.8	174.3	-176.2	176.1	179.1	-178	1.2	112.5	R72 R74 E78 L80	R72-R76 WeakPolarHBondContact O-CB 3.32Å; R72-R76 PolarHBondContact O-N 3.45Å; R74-R76 VanDerWaalsContact C-N 3.33Å; R74-R76 PolarHBondContact O-N 3.47Å; R76-E78 VanDerWaalsContact C-N 3.29Å; R76-E78 PolarHBondContact O-N 3.36Å; R76-L80 HydrophobicContact CG-CD1 3.86Å; R76-L80 WeakPolarHBondContact O-CB 3.29Å; R76-L80 WeakPolarHBondContact O-CD1 3.45Å; R76-L80 PolarHBondContact O-N 2.87Å
77	K	85.4	Confident	83.8	Confident	136 Å²	136	114.3 Å²	114.3	59%	0.591	56%	0.561	S	S	*	*	H	α-helix	trans	-66.3	-32.8	175.6	-77.8	173.3	-178.4	-179.9	0	112.2	K73 R74 R75 K81	K73-K77 WeakPolarHBondContact O-CB 3.45Å; K73-K77 VanDerWaalsContact O-CG 3.22Å; K73-K77 WeakPolarHBondContact O-CG 3.42Å; K73-K77 PolarHBondContact O-N 3.38Å; R74-K77 CarbonylContact O-C 3.6Å; R74-K77 WeakPolarHBondContact O-CB 3.33Å; R74-K77 PolarHBondContact O-N 3.08Å; R74-K77 VanDerWaalsContact O-N 3.1Å; R75-K77 PolarHBondContact O-N 3.38Å; K77-K81 VanDerWaalsContact O-CB 3.32Å; K77-K81 WeakPolarHBondContact O-CB 3.42Å; K77-K81 WeakPolarHBondContact O-CD 3.49Å; K77-K81 WeakPolarHBondContact O-CG 3.44Å; K77-K81 PolarHBondContact O-N 3.28Å
78	E	86.7	Confident	84.3	Confident	117 Å²	117	115.3 Å²	115.3	55%	0.547	56%	0.561	S	S	.	*	H	α-helix	trans	-74	-46.6	178.3	-171.8	158.2	-149	0	0	111.4	R74 R75 R76 K81 S82	R74-E78 WeakPolarHBondContact O-CB 3.32Å; R74-E78 PolarHBondContact O-N 3.44Å; R75-E78 PolarHBondContact O-N 3.41Å; R76-E78 VanDerWaalsContact C-N 3.29Å; R76-E78 PolarHBondContact O-N 3.36Å; E78-K81 WeakPolarHBondContact O-CB 3.41Å; E78-K81 PolarHBondContact O-N 3.24Å; E78-K81 VanDerWaalsContact O-N 3.16Å; E78-S82 PolarHBondContact O-N 2.91Å
79	L	85.4	Confident	84.9	Confident	113 Å²	113	114.3 Å²	114.3	59%	0.592	56%	0.555	S	S	*	*	H	α-helix	trans	-55.7	-51	168.6	-94.4	154	0	0	0	111.4	R75 K81 S82 V83	R75-L79 WeakPolarHBondContact O-CB 3.45Å; R75-L79 PolarHBondContact O-N 2.83Å; L79-K81 VanDerWaalsContact C-N 3.29Å; L79-K81 PolarHBondContact O-N 3.45Å; L79-S82 WeakPolarHBondContact CA-OG 3.48Å; L79-S82 PolarHBondContact O-N 3.04Å; L79-S82 PolarHBondContact O-OG 2.61Å; L79-V83 WeakPolarHBondContact O-CG2 3.18Å; L79-V83 PolarHBondContact O-N 2.95Å
80	L	82.1	Confident	85.4	Confident	91 Å²	91	120 Å²	120	48%	0.476	57%	0.569	S	S	.	*	H	α-helix	trans	-56.2	-44	175.9	-107.2	94.6	0	0	0	111.4	R76 S82 E84	R76-L80 HydrophobicContact CG-CD1 3.86Å; R76-L80 WeakPolarHBondContact O-CB 3.29Å; R76-L80 WeakPolarHBondContact O-CD1 3.45Å; R76-L80 PolarHBondContact O-N 2.87Å; L80-S82 VanDerWaalsContact C-N 3.29Å; L80-S82 PolarHBondContact O-N 2.77Å; L80-E84 WeakPolarHBondContact O-CA 3.27Å; L80-E84 VanDerWaalsContact O-CB 3.25Å; L80-E84 WeakPolarHBondContact O-CB 3.29Å; L80-E84 PolarHBondContact O-N 3.21Å
81	K	85.8	Confident	85.7	Confident	122 Å²	122	115.2 Å²	115.2	53%	0.53	56%	0.558	S	S	.	*	H	α-helix	trans	-66.6	-27.6	178.1	-79.9	167.9	-175.1	-179.6	0	114	K77 E78 L79	K77-K81 VanDerWaalsContact O-CB 3.32Å; K77-K81 WeakPolarHBondContact O-CB 3.42Å; K77-K81 WeakPolarHBondContact O-CD 3.49Å; K77-K81 WeakPolarHBondContact O-CG 3.44Å; K77-K81 PolarHBondContact O-N 3.28Å; E78-K81 WeakPolarHBondContact O-CB 3.41Å; E78-K81 PolarHBondContact O-N 3.24Å; E78-K81 VanDerWaalsContact O-N 3.16Å; L79-K81 VanDerWaalsContact C-N 3.29Å; L79-K81 PolarHBondContact O-N 3.45Å
82	S	82.1	Confident	85.9	Confident	89 Å²	89	115.7 Å²	115.7	62%	0.622	56%	0.556	S	S	*	*	H	α-helix	trans	-79.9	-35.7	179.6	68.1	0	0	0	0	112.4	E78 L79 L80	E78-S82 PolarHBondContact O-N 2.91Å; L79-S82 WeakPolarHBondContact CA-OG 3.48Å; L79-S82 PolarHBondContact O-N 3.04Å; L79-S82 PolarHBondContact O-OG 2.61Å; L80-S82 VanDerWaalsContact C-N 3.29Å; L80-S82 PolarHBondContact O-N 2.77Å
83	V	86.1	Confident	86.2	Confident	114 Å²	114	114.3 Å²	114.3	69%	0.691	55%	0.551	S	S	*	*	H	α-helix	trans	-86	-15.2	176.7	-174.9	0	0	0	0	111.4	L79 T85	L79-V83 WeakPolarHBondContact O-CG2 3.18Å; L79-V83 PolarHBondContact O-N 2.95Å; V83-T85 PolarHBondContact O-N 2.68Å
84	E	83.2	Confident	86.5	Confident	26 Å²	26	112.4 Å²	112.4	12%	0.121	55%	0.547	C	S	.	.			trans	-56.4	120.2	-179.5	-153.7	170	-163.1	0	0	111.3	L80 E88 K89 R92	L80-E84 WeakPolarHBondContact O-CA 3.27Å; L80-E84 VanDerWaalsContact O-CB 3.25Å; L80-E84 WeakPolarHBondContact O-CB 3.29Å; L80-E84 PolarHBondContact O-N 3.21Å; E84-E88 HydrophobicContact CG-CB 3.55Å; E84-E88 HydrophobicContact CG-CG 3.64Å; E84-K89 VanDerWaalsContact CD-CA 3.5Å; E84-K89 HydrophobicContact CG-CB 4.15Å; E84-K89 WeakPolarHBondContact OE1-CA 3.47Å; E84-K89 PolarHBondContact OE1-N 2.92Å; E84-R92 VanDerWaalsContact CD-NH1 3.26Å; E84-R92 IonicContact OE1-CZ 2.58Å; E84-R92 VanDerWaalsContact OE1-CZ 3.26Å; E84-R92 IonicContact OE1-NE 3.23Å; E84-R92 IonicContact OE1-NH1 3.75Å; E84-R92 PolarHBondContact OE1-NH1 3.4Å; E84-R92 IonicContact OE1-NH2 3.22Å; E84-R92 IonicContact OE2-CZ 2.89Å; E84-R92 IonicContact OE2-NH1 2.85Å; E84-R92 PolarHBondContact OE2-NH1 3.06Å; E84-R92 IonicContact OE2-NH2 3.93Å; E84-R92 PolarHBondContact OE2-NH2 3.3Å
85	T	85.9	Confident	86.7	Confident	85 Å²	85	106.8 Å²	106.8	52%	0.521	54%	0.539	S	S	.	.			trans	-62	157	169.1	62.8	0	0	0	0	110.3	V83 A87 E88 K89	V83-T85 PolarHBondContact O-N 2.68Å; T85-A87 PolarHBondContact O-N 2.77Å; T85-A87 VanDerWaalsContact O-N 3.11Å; T85-E88 PolarHBondContact O-N 2.82Å; T85-E88 VanDerWaalsContact O-N 3.11Å; T85-E88 PolarHBondContact OG1-N 3.28Å; T85-K89 PolarHBondContact O-N 3.28Å; T85-K89 VanDerWaalsContact O-N 3.12Å
86	A	89.2	Confident	87	Confident	90 Å²	90	106.2 Å²	106.2	74%	0.744	54%	0.54	S	S	*	.	H	α-helix	trans	-55.5	-32	177	0	0	0	0	0	112.5	R90	A86-R90 PolarHBondContact O-N 3.31Å
87	A	86.5	Confident	87.2	Confident	71 Å²	71	103.1 Å²	103.1	59%	0.587	53%	0.532	S	S	*	.	H	α-helix	trans	-66.8	-48.3	175.8	0	0	0	0	0	112.6	T85 K89 R90 A91	T85-A87 PolarHBondContact O-N 2.77Å; T85-A87 VanDerWaalsContact O-N 3.11Å; A87-K89 VanDerWaalsContact C-N 3.31Å; A87-K89 PolarHBondContact O-N 3.25Å; A87-R90 WeakPolarHBondContact O-CB 3.48Å; A87-R90 PolarHBondContact O-N 3.12Å; A87-R90 VanDerWaalsContact O-N 3.12Å; A87-A91 PolarHBondContact O-N 3.36Å
88	E	88.2	Confident	87.2	Confident	99 Å²	99	103.4 Å²	103.4	46%	0.463	53%	0.533	S	S	.	.	H	α-helix	trans	-65.3	-35.9	-179.4	-172	175.7	-174.2	0	0	111.7	E84 T85 R90 A91 R92	E84-E88 HydrophobicContact CG-CB 3.55Å; E84-E88 HydrophobicContact CG-CG 3.64Å; T85-E88 PolarHBondContact O-N 2.82Å; T85-E88 VanDerWaalsContact O-N 3.11Å; T85-E88 PolarHBondContact OG1-N 3.28Å; E88-R90 VanDerWaalsContact C-N 3.32Å; E88-R90 PolarHBondContact O-N 3.07Å; E88-A91 WeakPolarHBondContact O-CB 3.42Å; E88-A91 PolarHBondContact O-N 3.18Å; E88-A91 VanDerWaalsContact O-N 3.16Å; E88-R92 PolarHBondContact O-N 2.64Å
89	K	90.5	Very high	87.1	Confident	102 Å²	102	100.8 Å²	100.8	44%	0.443	53%	0.531	S	S	.	.	H	α-helix	trans	-62.4	-37.8	173.3	-172.9	174.6	-176.3	174.7	0	112.5	E84 T85 A87 R93	E84-K89 VanDerWaalsContact CD-CA 3.5Å; E84-K89 HydrophobicContact CG-CB 4.15Å; E84-K89 WeakPolarHBondContact OE1-CA 3.47Å; E84-K89 PolarHBondContact OE1-N 2.92Å; T85-K89 PolarHBondContact O-N 3.28Å; T85-K89 VanDerWaalsContact O-N 3.12Å; A87-K89 VanDerWaalsContact C-N 3.31Å; A87-K89 PolarHBondContact O-N 3.25Å; K89-R93 WeakPolarHBondContact O-CG 3.19Å; K89-R93 PolarHBondContact O-N 3.32Å
90	R	87.1	Confident	87.1	Confident	183 Å²	183	102.3 Å²	102.3	69%	0.691	53%	0.533	S	S	*	.	H	α-helix	trans	-66.7	-45.2	173.7	-174.7	-179.2	178.9	179.7	-0.7	110.4	A86 A87 E88 R92 R93 L94	A86-R90 PolarHBondContact O-N 3.31Å; A87-R90 WeakPolarHBondContact O-CB 3.48Å; A87-R90 PolarHBondContact O-N 3.12Å; A87-R90 VanDerWaalsContact O-N 3.12Å; E88-R90 VanDerWaalsContact C-N 3.32Å; E88-R90 PolarHBondContact O-N 3.07Å; R90-R92 PolarHBondContact O-N 3.3Å; R90-R93 PolarHBondContact O-N 3.48Å; R90-R93 VanDerWaalsContact O-N 3.17Å; R90-L94 HydrophobicContact CG-CD1 4.27Å; R90-L94 WeakPolarHBondContact O-CG 3.31Å; R90-L94 PolarHBondContact O-N 3.48Å
91	A	87.6	Confident	86.9	Confident	56 Å²	56	101.8 Å²	101.8	46%	0.463	53%	0.528	S	S	.	.	H	α-helix	trans	-58.4	-46.7	178.6	0	0	0	0	0	112.1	A87 E88 R93 L94 A95	A87-A91 PolarHBondContact O-N 3.36Å; E88-A91 WeakPolarHBondContact O-CB 3.42Å; E88-A91 PolarHBondContact O-N 3.18Å; E88-A91 VanDerWaalsContact O-N 3.16Å; A91-R93 VanDerWaalsContact C-N 3.33Å; A91-R93 PolarHBondContact O-N 3.01Å; A91-L94 PolarHBondContact O-N 2.93Å; A91-A95 PolarHBondContact O-N 3.37Å
92	R	88	Confident	86.5	Confident	95 Å²	95	101 Å²	101	36%	0.358	53%	0.529	S	S	.	.	H	α-helix	trans	-61.8	-39	176.4	-173.1	-177.9	64.6	-140.7	-15.4	112.8	E84 E88 R90 A95 K96	E84-R92 VanDerWaalsContact CD-NH1 3.26Å; E84-R92 IonicContact OE1-CZ 2.58Å; E84-R92 VanDerWaalsContact OE1-CZ 3.26Å; E84-R92 IonicContact OE1-NE 3.23Å; E84-R92 IonicContact OE1-NH1 3.75Å; E84-R92 PolarHBondContact OE1-NH1 3.4Å; E84-R92 IonicContact OE1-NH2 3.22Å; E84-R92 IonicContact OE2-CZ 2.89Å; E84-R92 IonicContact OE2-NH1 2.85Å; E84-R92 PolarHBondContact OE2-NH1 3.06Å; E84-R92 IonicContact OE2-NH2 3.93Å; E84-R92 PolarHBondContact OE2-NH2 3.3Å; E88-R92 PolarHBondContact O-N 2.64Å; R90-R92 PolarHBondContact O-N 3.3Å; R92-A95 PolarHBondContact O-N 3.2Å; R92-K96 WeakPolarHBondContact O-CB 3.45Å; R92-K96 PolarHBondContact O-N 2.81Å
93	R	91.9	Very high	86.4	Confident	172 Å²	172	103.6 Å²	103.6	65%	0.649	53%	0.529	S	S	*	.	H	α-helix	trans	-64.4	-41.4	176.8	-76.7	-178.6	175.4	-172.2	-0.5	111.3	K89 R90 A91 K96 K97	K89-R93 WeakPolarHBondContact O-CG 3.19Å; K89-R93 PolarHBondContact O-N 3.32Å; R90-R93 PolarHBondContact O-N 3.48Å; R90-R93 VanDerWaalsContact O-N 3.17Å; A91-R93 VanDerWaalsContact C-N 3.33Å; A91-R93 PolarHBondContact O-N 3.01Å; R93-K96 PolarHBondContact O-N 3.25Å; R93-K97 PolarHBondContact O-N 3Å
94	L	89.3	Confident	85.8	Confident	90 Å²	90	103.1 Å²	103.1	47%	0.471	52%	0.519	S	S	.	.	H	α-helix	trans	-66	-44.3	175.5	-69.9	172.8	0	0	0	112	R90 A91 K96 K97 K98	R90-L94 HydrophobicContact CG-CD1 4.27Å; R90-L94 WeakPolarHBondContact O-CG 3.31Å; R90-L94 PolarHBondContact O-N 3.48Å; A91-L94 PolarHBondContact O-N 2.93Å; L94-K96 VanDerWaalsContact C-N 3.32Å; L94-K96 PolarHBondContact O-N 3.27Å; L94-K97 WeakPolarHBondContact O-CB 3.39Å; L94-K97 PolarHBondContact O-N 3.16Å; L94-K97 VanDerWaalsContact O-N 3.11Å; L94-K98 PolarHBondContact O-N 3.21Å
95	A	88.3	Confident	85.3	Confident	60 Å²	60	102.6 Å²	102.6	50%	0.496	52%	0.518	S	S	.	.	H	α-helix	trans	-59.7	-41.9	175.3	0	0	0	0	0	112	A91 R92 K97 K98 A99	A91-A95 PolarHBondContact O-N 3.37Å; R92-A95 PolarHBondContact O-N 3.2Å; A95-K97 VanDerWaalsContact C-N 3.34Å; A95-K97 PolarHBondContact O-N 3.49Å; A95-K98 PolarHBondContact O-N 3Å; A95-A99 WeakPolarHBondContact O-CB 3.38Å; A95-A99 PolarHBondContact O-N 3.12Å
96	K	92.8	Very high	84.6	Confident	143 Å²	143	106 Å²	106	62%	0.622	53%	0.526	S	S	*	.	H	α-helix	trans	-64.7	-35.3	174.7	-170.8	175.6	-177.8	-179.9	0	112.5	R92 R93 L94 K100	R92-K96 WeakPolarHBondContact O-CB 3.45Å; R92-K96 PolarHBondContact O-N 2.81Å; R93-K96 PolarHBondContact O-N 3.25Å; L94-K96 VanDerWaalsContact C-N 3.32Å; L94-K96 PolarHBondContact O-N 3.27Å; K96-K100 WeakPolarHBondContact O-CG 3.23Å; K96-K100 PolarHBondContact O-N 2.85Å
97	K	89.9	Confident	83.9	Confident	112 Å²	112	108.7 Å²	108.7	49%	0.487	52%	0.524	S	S	.	.	H	α-helix	trans	-65	-49.3	173.7	-171.6	-174.8	175.9	-166.7	0	110.5	R93 L94 A95 A99 K100 Q101 D122	R93-K97 PolarHBondContact O-N 3Å; L94-K97 WeakPolarHBondContact O-CB 3.39Å; L94-K97 PolarHBondContact O-N 3.16Å; L94-K97 VanDerWaalsContact O-N 3.11Å; A95-K97 VanDerWaalsContact C-N 3.34Å; A95-K97 PolarHBondContact O-N 3.49Å; K97-A99 PolarHBondContact O-N 2.85Å; K97-K100 WeakPolarHBondContact O-CB 3.41Å; K97-K100 PolarHBondContact O-N 3.37Å; K97-Q101 PolarHBondContact O-N 2.99Å; K97-D122 IonicContact NZ-OD2 3.81Å
98	K	84.2	Confident	83.1	Confident	142 Å²	142	107.1 Å²	107.1	62%	0.617	51%	0.505	S	S	*	.	H	α-helix	trans	-59.4	-45.1	178.1	-71.4	-178	176.8	-179.3	0	112.8	L94 A95 K100 Q101 L102	L94-K98 PolarHBondContact O-N 3.21Å; A95-K98 PolarHBondContact O-N 3Å; K98-K100 VanDerWaalsContact C-N 3.29Å; K98-K100 PolarHBondContact O-N 3.35Å; K98-Q101 WeakPolarHBondContact O-CB 3.42Å; K98-Q101 PolarHBondContact O-N 3.04Å; K98-Q101 VanDerWaalsContact O-N 3.13Å; K98-L102 PolarHBondContact O-N 3.37Å
99	A	85	Confident	81.9	Confident	62 Å²	62	105 Å²	105	51%	0.512	51%	0.509	S	S	.	.	H	α-helix	trans	-62.4	-35.5	177.5	0	0	0	0	0	112.6	A95 K97 K103	A95-A99 WeakPolarHBondContact O-CB 3.38Å; A95-A99 PolarHBondContact O-N 3.12Å; K97-A99 PolarHBondContact O-N 2.85Å; A99-K103 WeakPolarHBondContact O-CB 3.47Å; A99-K103 PolarHBondContact O-N 3.06Å; A99-K103 VanDerWaalsContact O-N 3.11Å
100	K	86.1	Confident	80.6	Confident	145 Å²	145	102.5 Å²	102.5	63%	0.63	50%	0.497	S	S	*	.	H	α-helix	trans	-67.1	-39.2	172.8	-77.7	-175.3	173.3	-166.1	0	112.3	K96 K97 K98 K103 H104	K96-K100 WeakPolarHBondContact O-CG 3.23Å; K96-K100 PolarHBondContact O-N 2.85Å; K97-K100 WeakPolarHBondContact O-CB 3.41Å; K97-K100 PolarHBondContact O-N 3.37Å; K98-K100 VanDerWaalsContact C-N 3.29Å; K98-K100 PolarHBondContact O-N 3.35Å; K100-K103 PolarHBondContact O-N 3.08Å; K100-H104 WeakPolarHBondContact O-CB 3.19Å; K100-H104 PolarHBondContact O-N 2.86Å
101	Q	78.2	Confident	78.9	Confident	80 Å²	80	97 Å²	97	37%	0.374	49%	0.486	S	S	.	.	H	α-helix	trans	-65.6	-45.6	177	-73.3	174.8	-28.6	0	0	111.9	K97 K98 K103 H104 S105 D122	K97-Q101 PolarHBondContact O-N 2.99Å; K98-Q101 WeakPolarHBondContact O-CB 3.42Å; K98-Q101 PolarHBondContact O-N 3.04Å; K98-Q101 VanDerWaalsContact O-N 3.13Å; Q101-K103 VanDerWaalsContact C-N 3.32Å; Q101-K103 PolarHBondContact O-N 3.09Å; Q101-H104 PolarHBondContact O-N 3.01Å; Q101-S105 WeakPolarHBondContact O-CB 3.49Å; Q101-S105 PolarHBondContact O-N 3.26Å; Q101-D122 PolarHBondContact NE2-OD2 3.33Å
102	L	76.6	Confident	77.6	Confident	105 Å²	105	97.3 Å²	97.3	55%	0.55	49%	0.494	S	S	.	.	H	α-helix	trans	-60.9	-41.9	175.3	-75.5	175.2	0	0	0	112.1	K98 H104 S105 F106 M115	K98-L102 PolarHBondContact O-N 3.37Å; L102-H104 VanDerWaalsContact C-N 3.33Å; L102-H104 PolarHBondContact O-N 3.04Å; L102-S105 PolarHBondContact O-N 2.69Å; L102-F106 WeakPolarHBondContact O-CB 3.27Å; L102-F106 PolarHBondContact O-N 2.97Å; L102-M115 HydrophobicContact CD2-SD 4.09Å
103	K	79.9	Confident	76.1	Confident	143 Å²	143	100.5 Å²	100.5	62%	0.622	51%	0.513	S	S	*	.	H	α-helix	trans	-61.4	-44.1	175.3	-171.3	-177.8	175.8	-172.6	0	111.3	A99 K100 Q101 F106 E107	A99-K103 WeakPolarHBondContact O-CB 3.47Å; A99-K103 PolarHBondContact O-N 3.06Å; A99-K103 VanDerWaalsContact O-N 3.11Å; K100-K103 PolarHBondContact O-N 3.08Å; Q101-K103 VanDerWaalsContact C-N 3.32Å; Q101-K103 PolarHBondContact O-N 3.09Å; K103-F106 PolarHBondContact O-N 3.3Å; K103-E107 WeakPolarHBondContact O-CB 3.5Å; K103-E107 PolarHBondContact O-N 3.25Å
104	H	74.2	Confident	74.3	Confident	105 Å²	105	97.6 Å²	97.6	49%	0.486	50%	0.503	S	S	.	.	H	α-helix	trans	-64.2	-43.5	177.8	-173	50.2	0	0	0	112.2	K100 Q101 L102 F106 E107 L108	K100-H104 WeakPolarHBondContact O-CB 3.19Å; K100-H104 PolarHBondContact O-N 2.86Å; Q101-H104 PolarHBondContact O-N 3.01Å; L102-H104 VanDerWaalsContact C-N 3.33Å; L102-H104 PolarHBondContact O-N 3.04Å; H104-F106 PolarHBondContact O-N 3.47Å; H104-E107 WeakPolarHBondContact O-CB 3.46Å; H104-E107 PolarHBondContact O-N 3.04Å; H104-E107 VanDerWaalsContact O-N 3.16Å; H104-L108 WeakPolarHBondContact NE2-CD1 3.21Å; H104-L108 WeakPolarHBondContact O-CD1 3.44Å; H104-L108 PolarHBondContact O-N 3.45Å
105	S	71.1	Confident	72.4	Confident	14 Å²	14	95 Å²	95	10%	0.098	49%	0.488	C	S	.	.	H	α-helix	trans	-59.9	-43.4	175.2	-178.6	0	0	0	0	112.5	Q101 L102 E107 L108 G109 W110	Q101-S105 WeakPolarHBondContact O-CB 3.49Å; Q101-S105 PolarHBondContact O-N 3.26Å; L102-S105 PolarHBondContact O-N 2.69Å; S105-E107 VanDerWaalsContact C-N 3.3Å; S105-E107 PolarHBondContact O-N 2.85Å; S105-L108 PolarHBondContact O-N 3.44Å; S105-G109 PolarHBondContact O-N 3.04Å; S105-W110 PolarHBondContact O-N 3.03Å
106	F	73.1	Confident	70.6	Confident	156 Å²	156	93.3 Å²	93.3	68%	0.684	47%	0.472	S	S	*	.	H	α-helix	trans	-63.3	-39.3	175.9	-174.9	-94.4	0	0	0	111.3	L102 K103 H104 L108 G109	L102-F106 WeakPolarHBondContact O-CB 3.27Å; L102-F106 PolarHBondContact O-N 2.97Å; K103-F106 PolarHBondContact O-N 3.3Å; H104-F106 PolarHBondContact O-N 3.47Å; F106-L108 VanDerWaalsContact C-N 3.34Å; F106-G109 PolarHBondContact O-N 3.49Å; F106-G109 VanDerWaalsContact O-N 3.1Å
107	E	73.5	Confident	68.8	Low	148 Å²	148	90.5 Å²	90.5	69%	0.692	47%	0.467	S	S	*	.	H	α-helix	trans	-68.4	-31	177.6	-164.9	139.8	-149	0	0	112.8	K103 H104 S105 G109	K103-E107 WeakPolarHBondContact O-CB 3.5Å; K103-E107 PolarHBondContact O-N 3.25Å; H104-E107 WeakPolarHBondContact O-CB 3.46Å; H104-E107 PolarHBondContact O-N 3.04Å; H104-E107 VanDerWaalsContact O-N 3.16Å; S105-E107 VanDerWaalsContact C-N 3.3Å; S105-E107 PolarHBondContact O-N 2.85Å; E107-G109 PolarHBondContact O-N 2.71Å
108	L	69.9	Low	67.5	Low	37 Å²	37	86.4 Å²	86.4	19%	0.194	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	3.4	170.3	-86.1	141	0	0	0	113.9	H104 S105 F106 W110	H104-L108 WeakPolarHBondContact NE2-CD1 3.21Å; H104-L108 WeakPolarHBondContact O-CD1 3.44Å; H104-L108 PolarHBondContact O-N 3.45Å; S105-L108 PolarHBondContact O-N 3.44Å; F106-L108 VanDerWaalsContact C-N 3.34Å; L108-W110 VanDerWaalsContact O-CD1 3.31Å
109	G	62.7	Low	66.7	Low	54 Å²	54	82.2 Å²	82.2	56%	0.557	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	20.9	175.2	0	0	0	0	0	114.4	S105 F106 E107 P111	S105-G109 PolarHBondContact O-N 3.04Å; F106-G109 PolarHBondContact O-N 3.49Å; F106-G109 VanDerWaalsContact O-N 3.1Å; E107-G109 PolarHBondContact O-N 2.71Å; G109-P111 VanDerWaalsContact O-CD 3.26Å; G109-P111 WeakPolarHBondContact O-CD 2.83Å
110	W	63.4	Low	65.9	Low	50 Å²	50	81 Å²	81	19%	0.189	42%	0.424	C	S	.	.			trans	-97.4	98.5	170.1	-61.7	73.5	0	0	0	108.2	S105 L108 Y114 T132	S105-W110 PolarHBondContact O-N 3.03Å; L108-W110 VanDerWaalsContact O-CD1 3.31Å; W110-Y114 HydrophobicContact CD2-CD1 4.09Å; W110-Y114 AromaticContact CE3-CD1 3.18Å; W110-Y114 HydrophobicContact CE3-CD1 3.18Å; W110-Y114 AromaticContact CE3-CE1 3.64Å; W110-Y114 HydrophobicContact CE3-CE1 3.64Å; W110-Y114 HydrophobicContact CE3-CG 4.27Å; W110-Y114 HydrophobicContact CH2-CD1 4.24Å; W110-Y114 AromaticContact CH2-CE1 3.81Å; W110-Y114 HydrophobicContact CH2-CE1 3.81Å; W110-Y114 AromaticContact CZ3-CD1 3.26Å; W110-Y114 HydrophobicContact CZ3-CD1 3.26Å; W110-Y114 AromaticContact CZ3-CE1 3.16Å; W110-Y114 HydrophobicContact CZ3-CE1 3.16Å; W110-Y114 HydrophobicContact CZ3-CG 4.48Å; W110-T132 VanDerWaalsContact CE2-O 3.26Å; W110-T132 PolarHBondContact NE1-O 3.2Å
111	P	52.2	Low	65.1	Low	69 Å²	69	76.3 Å²	76.3	45%	0.448	41%	0.406	S	S	.	.			trans	-62.4	149.9	172.4	-15.3	31.1	0	0	0	108.8	G109 E113 Y114	G109-P111 VanDerWaalsContact O-CD 3.26Å; G109-P111 WeakPolarHBondContact O-CD 2.83Å; P111-E113 PolarHBondContact O-N 2.98Å; P111-Y114 PolarHBondContact O-N 3.46Å
112	G	58.7	Low	64.7	Low	61 Å²	61	77.9 Å²	77.9	63%	0.629	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-23	-171.7	0	0	0	0	0	115.2	M115	G112-M115 WeakPolarHBondContact O-CB 3.16Å
113	E	57.6	Low	64.6	Low	162 Å²	162	75 Å²	75	76%	0.757	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-13.2	178.3	-142.1	173.8	-155.7	0	0	114.2	P111 V116	P111-E113 PolarHBondContact O-N 2.98Å; E113-V116 VanDerWaalsContact C-CG2 3.46Å; E113-V116 HydrophobicContact CG-CG2 4.5Å; E113-V116 WeakPolarHBondContact O-CB 2.97Å; E113-V116 WeakPolarHBondContact O-CG2 3.48Å
114	Y	53	Low	64.3	Low	112 Å²	112	69.4 Å²	69.4	44%	0.439	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-18.7	170.3	-159.6	-118.9	0	0	0	112	W110 P111 V116 L162	W110-Y114 HydrophobicContact CD2-CD1 4.09Å; W110-Y114 AromaticContact CE3-CD1 3.18Å; W110-Y114 HydrophobicContact CE3-CD1 3.18Å; W110-Y114 AromaticContact CE3-CE1 3.64Å; W110-Y114 HydrophobicContact CE3-CE1 3.64Å; W110-Y114 HydrophobicContact CE3-CG 4.27Å; W110-Y114 HydrophobicContact CH2-CD1 4.24Å; W110-Y114 AromaticContact CH2-CE1 3.81Å; W110-Y114 HydrophobicContact CH2-CE1 3.81Å; W110-Y114 AromaticContact CZ3-CD1 3.26Å; W110-Y114 HydrophobicContact CZ3-CD1 3.26Å; W110-Y114 AromaticContact CZ3-CE1 3.16Å; W110-Y114 HydrophobicContact CZ3-CE1 3.16Å; W110-Y114 HydrophobicContact CZ3-CG 4.48Å; P111-Y114 PolarHBondContact O-N 3.46Å; Y114-V116 PolarHBondContact O-N 2.88Å; Y114-L162 HydrophobicContact CE2-CD2 4.43Å
115	M	49.7	Very low	64.4	Low	35 Å²	35	68.3 Å²	68.3	17%	0.172	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-62.6	-2.8	165.7	-121	-155.2	77	0	0	113.2	L102 G112 V117 G118	L102-M115 HydrophobicContact CD2-SD 4.09Å; G112-M115 WeakPolarHBondContact O-CB 3.16Å; M115-V117 PolarHBondContact O-N 3.32Å; M115-G118 WeakPolarHBondContact O-CA 3.3Å; M115-G118 PolarHBondContact O-N 3.11Å
116	V	51	Low	64.9	Low	25 Å²	25	74.2 Å²	74.2	15%	0.152	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-66.7	-19.6	179.3	163.2	0	0	0	0	113.9	E113 Y114 G118 R649 R650	E113-V116 VanDerWaalsContact C-CG2 3.46Å; E113-V116 HydrophobicContact CG-CG2 4.5Å; E113-V116 WeakPolarHBondContact O-CB 2.97Å; E113-V116 WeakPolarHBondContact O-CG2 3.48Å; Y114-V116 PolarHBondContact O-N 2.88Å; V116-G118 PolarHBondContact O-N 2.97Å; V116-R649 HydrophobicContact CG1-CB 3.55Å; V116-R649 HydrophobicContact CG1-CG 4.03Å; V116-R649 WeakPolarHBondContact O-CA 3.21Å; V116-R650 HydrophobicContact CB-CB 4.28Å; V116-R650 WeakPolarHBondContact CB-O 3.41Å; V116-R650 WeakPolarHBondContact CG1-O 3.33Å; V116-R650 VanDerWaalsContact CG2-C 3.45Å; V116-R650 HydrophobicContact CG2-CB 4.03Å; V116-R650 WeakPolarHBondContact CG2-O 3.02Å; V116-R650 PolarHBondContact O-N 3.4Å
117	V	55.9	Low	65	Low	84 Å²	84	70.2 Å²	70.2	51%	0.509	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-64.8	-5.5	166.4	-160.1	0	0	0	0	111	M115 Y119	M115-V117 PolarHBondContact O-N 3.32Å; V117-Y119 HydrophobicContact CB-CD2 4.48Å; V117-Y119 HydrophobicContact CG1-CD2 3.71Å; V117-Y119 HydrophobicContact CG1-CE2 3.84Å; V117-Y119 VanDerWaalsContact O-CD2 3.22Å; V117-Y119 WeakPolarHBondContact O-CD2 3.45Å; V117-Y119 WeakPolarHBondContact O-CE2 3.29Å; V117-Y119 PolarHBondContact O-N 3.34Å
118	G	61.5	Low	65.2	Low	26 Å²	26	66.8 Å²	66.8	27%	0.268	39%	0.391	S	S	.	.			trans	76.3	-15.2	162.9	0	0	0	0	0	114	M115 V116	M115-G118 WeakPolarHBondContact O-CA 3.3Å; M115-G118 PolarHBondContact O-N 3.11Å; V116-G118 PolarHBondContact O-N 2.97Å
119	Y	68	Low	65.6	Low	53 Å²	53	69.5 Å²	69.5	21%	0.208	41%	0.412	C	S	.	.			trans	-83.4	135.1	178.2	-51.8	-52.6	0	0	0	110.8	V117 D123 P125 Y126 L131 R647	V117-Y119 HydrophobicContact CB-CD2 4.48Å; V117-Y119 HydrophobicContact CG1-CD2 3.71Å; V117-Y119 HydrophobicContact CG1-CE2 3.84Å; V117-Y119 VanDerWaalsContact O-CD2 3.22Å; V117-Y119 WeakPolarHBondContact O-CD2 3.45Å; V117-Y119 WeakPolarHBondContact O-CE2 3.29Å; V117-Y119 PolarHBondContact O-N 3.34Å; Y119-D123 WeakPolarHBondContact CA-O 3.37Å; Y119-P125 HydrophobicContact CD1-CG 3.7Å; Y119-P125 HydrophobicContact CE1-CB 4.5Å; Y119-P125 HydrophobicContact CE1-CG 3.3Å; Y119-P125 HydrophobicContact CE2-CG 4.47Å; Y119-P125 HydrophobicContact CG-CG 4.45Å; Y119-Y126 HydrophobicContact CD2-CE2 4.26Å; Y119-Y126 AromaticContact CE2-CE2 3.99Å; Y119-Y126 HydrophobicContact CE2-CE2 3.99Å; Y119-L131 HydrophobicContact CD2-CD2 4.31Å; Y119-L131 HydrophobicContact CG-CD2 4.01Å; Y119-R647 VanDerWaalsContact OH-CZ 3.3Å; Y119-R647 PolarHBondContact OH-NE 2.97Å; Y119-R647 PolarHBondContact OH-NH1 3.46Å
120	S	67.3	Low	66.2	Low	36 Å²	36	72.6 Å²	72.6	25%	0.252	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-122.4	165.8	172.1	71.6	0	0	0	0	108.7	D122 D123 N124	S120-D122 PolarHBondContact O-N 3.37Å; S120-D122 VanDerWaalsContact O-N 3.13Å; S120-D123 PolarHBondContact N-O 3.44Å; S120-D123 CarbonylContact O-C 3.12Å; S120-D123 PolarHBondContact O-N 3Å; S120-D123 VanDerWaalsContact OG-CB 3.26Å; S120-D123 WeakPolarHBondContact OG-CB 3.5Å; S120-D123 PolarHBondContact OG-N 3.3Å; S120-N124 PolarHBondContact O-N 2.97Å
121	N	69.5	Low	66.6	Low	48 Å²	48	72.5 Å²	72.5	26%	0.257	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-29	175	-73.2	0.1	0	0	0	113	P129 L131 T132	N121-P129 VanDerWaalsContact CB-O 3.27Å; N121-P129 WeakPolarHBondContact CB-O 3.34Å; N121-P129 PolarHBondContact ND2-O 2.64Å; N121-L131 PolarHBondContact OD1-N 3.04Å; N121-T132 VanDerWaalsContact CG-OG1 3.31Å; N121-T132 PolarHBondContact ND2-OG1 3.28Å; N121-T132 VanDerWaalsContact ND2-OG1 3.1Å; N121-T132 WeakPolarHBondContact OD1-CG2 3.29Å; N121-T132 PolarHBondContact OD1-N 3.45Å; N121-T132 PolarHBondContact OD1-OG1 3.37Å; N121-T132 VanDerWaalsContact OD1-OG1 3.04Å
122	D	70.2	Confident	67.6	Low	113 Å²	113	70.3 Å²	70.3	60%	0.604	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-14.5	175.5	-68	-25.9	0	0	0	112.7	K97 Q101 S120	K97-D122 IonicContact NZ-OD2 3.81Å; Q101-D122 PolarHBondContact NE2-OD2 3.33Å; S120-D122 PolarHBondContact O-N 3.37Å; S120-D122 VanDerWaalsContact O-N 3.13Å
123	D	73.9	Confident	68.3	Low	44 Å²	44	71.3 Å²	71.3	24%	0.235	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-134.8	62.2	-171	-160.7	-7.6	0	0	0	108.9	Y119 S120 K547	Y119-D123 WeakPolarHBondContact CA-O 3.37Å; S120-D123 PolarHBondContact N-O 3.44Å; S120-D123 CarbonylContact O-C 3.12Å; S120-D123 PolarHBondContact O-N 3Å; S120-D123 VanDerWaalsContact OG-CB 3.26Å; S120-D123 WeakPolarHBondContact OG-CB 3.5Å; S120-D123 PolarHBondContact OG-N 3.3Å; D123-K547 IonicContact OD2-NZ 3.31Å; D123-K547 PolarHBondContact OD2-NZ 3.11Å
124	N	73.7	Confident	69.1	Low	26 Å²	26	66.5 Å²	66.5	14%	0.139	37%	0.37	C	S	.	.			trans	-114.6	110.8	-176.4	-177.6	8.4	0	0	0	111.7	S120 Y126 G127 D128 L131	S120-N124 PolarHBondContact O-N 2.97Å; N124-Y126 PolarHBondContact O-N 3.1Å; N124-Y126 WeakPolarHBondContact OD1-CB 3.11Å; N124-Y126 VanDerWaalsContact OD1-CD2 3.26Å; N124-Y126 WeakPolarHBondContact OD1-CD2 3.27Å; N124-Y126 PolarHBondContact OD1-N 2.83Å; N124-G127 PolarHBondContact O-N 3.46Å; N124-D128 VanDerWaalsContact ND2-CA 3.3Å; N124-D128 WeakPolarHBondContact ND2-CA 3.35Å; N124-D128 VanDerWaalsContact ND2-CB 3.27Å; N124-D128 WeakPolarHBondContact ND2-CB 3.17Å; N124-D128 PolarHBondContact ND2-N 2.86Å; N124-D128 PolarHBondContact ND2-O 3.27Å; N124-L131 HydrophobicContact CB-CD2 4.22Å
125	P	77.2	Confident	70.4	Confident	81 Å²	81	69.4 Å²	69.4	53%	0.526	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.2	176.9	32	-38.8	0	0	0	113.9	Y119	Y119-P125 HydrophobicContact CD1-CG 3.7Å; Y119-P125 HydrophobicContact CE1-CB 4.5Å; Y119-P125 HydrophobicContact CE1-CG 3.3Å; Y119-P125 HydrophobicContact CE2-CG 4.47Å; Y119-P125 HydrophobicContact CG-CG 4.45Å
126	Y	80.7	Confident	71.7	Confident	139 Å²	139	71.5 Å²	71.5	55%	0.545	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	0.6	178.8	-50.5	-70.9	0	0	0	112.9	Y119 N124 D128 L131	Y119-Y126 HydrophobicContact CD2-CE2 4.26Å; Y119-Y126 AromaticContact CE2-CE2 3.99Å; Y119-Y126 HydrophobicContact CE2-CE2 3.99Å; N124-Y126 PolarHBondContact O-N 3.1Å; N124-Y126 WeakPolarHBondContact OD1-CB 3.11Å; N124-Y126 VanDerWaalsContact OD1-CD2 3.26Å; N124-Y126 WeakPolarHBondContact OD1-CD2 3.27Å; N124-Y126 PolarHBondContact OD1-N 2.83Å; Y126-D128 PolarHBondContact O-N 3.47Å; Y126-L131 HydrophobicContact CD2-CD1 4.44Å
127	G	76.1	Confident	73.3	Confident	71 Å²	71	77.8 Å²	77.8	73%	0.732	42%	0.422	S	S	*	.			trans	70.4	9.7	176	0	0	0	0	0	115.6	N124	N124-G127 PolarHBondContact O-N 3.46Å
128	D	76.2	Confident	74.7	Confident	76 Å²	76	75.8 Å²	75.8	41%	0.406	42%	0.418	S	S	.	.			trans	-86.5	122.5	177.9	177.1	2.4	0	0	0	111	N124 Y126 E130	N124-D128 VanDerWaalsContact ND2-CA 3.3Å; N124-D128 WeakPolarHBondContact ND2-CA 3.35Å; N124-D128 VanDerWaalsContact ND2-CB 3.27Å; N124-D128 WeakPolarHBondContact ND2-CB 3.17Å; N124-D128 PolarHBondContact ND2-N 2.86Å; N124-D128 PolarHBondContact ND2-O 3.27Å; Y126-D128 PolarHBondContact O-N 3.47Å; D128-E130 PolarHBondContact O-N 2.92Å; D128-E130 PolarHBondContact OD1-N 3.24Å
129	P	78.6	Confident	76	Confident	95 Å²	95	82.6 Å²	82.6	62%	0.617	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-16.4	-179.7	27.2	-34.9	0	0	0	114.3	N121	N121-P129 VanDerWaalsContact CB-O 3.27Å; N121-P129 WeakPolarHBondContact CB-O 3.34Å; N121-P129 PolarHBondContact ND2-O 2.64Å
130	E	75.4	Confident	77	Confident	118 Å²	118	84.7 Å²	84.7	55%	0.551	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	26.7	-169	-71.3	-174.4	-174.9	0	0	114	D128 T132 H133	D128-E130 PolarHBondContact O-N 2.92Å; D128-E130 PolarHBondContact OD1-N 3.24Å; E130-T132 PolarHBondContact O-N 3.21Å; E130-H133 WeakPolarHBondContact O-CB 3.45Å; E130-H133 PolarHBondContact O-N 2.76Å
131	L	71.7	Confident	77.8	Confident	49 Å²	49	84.5 Å²	84.5	26%	0.257	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-31.7	-176.1	-168.1	73.5	0	0	0	115.3	Y119 N121 N124 Y126 H133	Y119-L131 HydrophobicContact CD2-CD2 4.31Å; Y119-L131 HydrophobicContact CG-CD2 4.01Å; N121-L131 PolarHBondContact OD1-N 3.04Å; N124-L131 HydrophobicContact CB-CD2 4.22Å; Y126-L131 HydrophobicContact CD2-CD1 4.44Å; L131-H133 PolarHBondContact O-N 3.05Å
132	T	72.9	Confident	78.6	Confident	23 Å²	23	88.9 Å²	88.9	14%	0.141	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	0.3	178.1	65.4	0	0	0	0	113.2	W110 N121 E130	W110-T132 VanDerWaalsContact CE2-O 3.26Å; W110-T132 PolarHBondContact NE1-O 3.2Å; N121-T132 VanDerWaalsContact CG-OG1 3.31Å; N121-T132 PolarHBondContact ND2-OG1 3.28Å; N121-T132 VanDerWaalsContact ND2-OG1 3.1Å; N121-T132 WeakPolarHBondContact OD1-CG2 3.29Å; N121-T132 PolarHBondContact OD1-N 3.45Å; N121-T132 PolarHBondContact OD1-OG1 3.37Å; N121-T132 VanDerWaalsContact OD1-OG1 3.04Å; E130-T132 PolarHBondContact O-N 3.21Å
133	H	74.6	Confident	79.5	Confident	82 Å²	82	92.6 Å²	92.6	38%	0.38	48%	0.476	S	S	.	.	S	Bend	trans	-75.2	133.2	171.6	-79.7	-86.2	0	0	0	109.6	E130 L131 F135	E130-H133 WeakPolarHBondContact O-CB 3.45Å; E130-H133 PolarHBondContact O-N 2.76Å; L131-H133 PolarHBondContact O-N 3.05Å; H133-F135 PolarHBondContact O-N 3.42Å
134	P	73.3	Confident	80.1	Confident	60 Å²	60	95.1 Å²	95.1	39%	0.39	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-60.2	125.6	175.9	24.6	-31.9	0	0	0	109.4	V136	P134-V136 PolarHBondContact O-N 3.37Å
135	F	80	Confident	80.4	Confident	173 Å²	173	97 Å²	97	76%	0.759	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-66.2	116.6	177.1	176	-101.5	0	0	0	109.9	H133 W137	H133-F135 PolarHBondContact O-N 3.42Å; F135-W137 HydrophobicContact CD1-CB 4.46Å; F135-W137 HydrophobicContact CE1-CB 3.78Å; F135-W137 HydrophobicContact CE1-CG 4.08Å; F135-W137 HydrophobicContact CZ-CB 4.46Å
136	V	78.7	Confident	80.6	Confident	79 Å²	79	94.8 Å²	94.8	48%	0.479	50%	0.495	S	S	.	.			trans	-98.9	114.8	175.1	178.8	0	0	0	0	108.9	P134 G138 L141 L154	P134-V136 PolarHBondContact O-N 3.37Å; V136-G138 VanDerWaalsContact C-N 3.32Å; V136-G138 PolarHBondContact O-N 3.32Å; V136-L141 HydrophobicContact CG1-CD1 3.48Å; V136-L141 VanDerWaalsContact CG1-CD1 3.48Å; V136-L154 HydrophobicContact CG1-CD2 3.81Å; V136-L154 HydrophobicContact CG2-CD2 3.97Å
137	W	84.2	Confident	80.3	Confident	158 Å²	158	91.9 Å²	91.9	60%	0.598	50%	0.495	S	S	*	.			trans	-80.7	80.8	177.9	-163.3	-8.1	0	0	0	110.6	F135 K139 K140 L141	F135-W137 HydrophobicContact CD1-CB 4.46Å; F135-W137 HydrophobicContact CE1-CB 3.78Å; F135-W137 HydrophobicContact CE1-CG 4.08Å; F135-W137 HydrophobicContact CZ-CB 4.46Å; W137-K139 VanDerWaalsContact C-N 3.33Å; W137-K139 PolarHBondContact O-N 3.5Å; W137-K140 HydrophobicContact CB-CB 3.92Å; W137-K140 HydrophobicContact CD2-CB 3.85Å; W137-K140 HydrophobicContact CD2-CD 4.41Å; W137-K140 HydrophobicContact CE3-CB 4.27Å; W137-K140 HydrophobicContact CE3-CD 3.97Å; W137-K140 HydrophobicContact CG-CB 3.67Å; W137-K140 WeakPolarHBondContact O-CA 3.37Å; W137-K140 WeakPolarHBondContact O-CB 3.26Å; W137-K140 PolarHBondContact O-N 3.35Å; W137-L141 PolarHBondContact O-N 2.93Å; W137-L141 VanDerWaalsContact O-N 3.09Å
138	G	84.4	Confident	80.3	Confident	42 Å²	42	96 Å²	96	43%	0.433	50%	0.5	S	S	.	.	H	α-helix	trans	-50.7	-46.8	-175.1	0	0	0	0	0	114	V136 K140 L141 E142	V136-G138 VanDerWaalsContact C-N 3.32Å; V136-G138 PolarHBondContact O-N 3.32Å; G138-K140 PolarHBondContact O-N 2.81Å; G138-L141 PolarHBondContact O-N 2.92Å; G138-L141 VanDerWaalsContact O-N 3.11Å; G138-E142 WeakPolarHBondContact O-CB 3.25Å; G138-E142 PolarHBondContact O-N 2.92Å
139	K	89.6	Confident	80.5	Confident	169 Å²	169	94.6 Å²	94.6	74%	0.735	49%	0.492	S	S	*	.	H	α-helix	trans	-58.8	-33.2	176.2	-67.2	-174.4	178.2	-177.8	0	113.6	W137 K143	W137-K139 VanDerWaalsContact C-N 3.33Å; W137-K139 PolarHBondContact O-N 3.5Å; K139-K143 VanDerWaalsContact O-CB 3.26Å; K139-K143 WeakPolarHBondContact O-CB 3.31Å; K139-K143 PolarHBondContact O-N 3.41Å
140	K	87.8	Confident	80.6	Confident	97 Å²	97	92.9 Å²	92.9	42%	0.422	48%	0.483	S	S	.	.	H	α-helix	trans	-73.1	-42.5	176.9	-176.9	176.6	176	179.3	0	110.6	W137 G138 E142 K143 E144	W137-K140 HydrophobicContact CB-CB 3.92Å; W137-K140 HydrophobicContact CD2-CB 3.85Å; W137-K140 HydrophobicContact CD2-CD 4.41Å; W137-K140 HydrophobicContact CE3-CB 4.27Å; W137-K140 HydrophobicContact CE3-CD 3.97Å; W137-K140 HydrophobicContact CG-CB 3.67Å; W137-K140 WeakPolarHBondContact O-CA 3.37Å; W137-K140 WeakPolarHBondContact O-CB 3.26Å; W137-K140 PolarHBondContact O-N 3.35Å; G138-K140 PolarHBondContact O-N 2.81Å; K140-E142 VanDerWaalsContact C-N 3.33Å; K140-K143 PolarHBondContact O-N 3.47Å; K140-E144 WeakPolarHBondContact CE-OE1 3.42Å; K140-E144 HydrophobicContact CG-CG 4.46Å; K140-E144 IonicContact NZ-OE1 2.72Å; K140-E144 WeakPolarHBondContact O-CB 3.46Å; K140-E144 WeakPolarHBondContact O-CG 3.06Å; K140-E144 PolarHBondContact O-N 2.89Å
141	L	85.6	Confident	80.6	Confident	31 Å²	31	94 Å²	94	16%	0.162	49%	0.492	C	S	.	.	H	α-helix	trans	-62.9	-41.5	175.4	-66.1	179.5	0	0	0	111.9	V136 W137 G138 E144 G145 L146 L154	V136-L141 HydrophobicContact CG1-CD1 3.48Å; V136-L141 VanDerWaalsContact CG1-CD1 3.48Å; W137-L141 PolarHBondContact O-N 2.93Å; W137-L141 VanDerWaalsContact O-N 3.09Å; G138-L141 PolarHBondContact O-N 2.92Å; G138-L141 VanDerWaalsContact O-N 3.11Å; L141-E144 PolarHBondContact O-N 3.45Å; L141-G145 PolarHBondContact O-N 2.97Å; L141-G145 VanDerWaalsContact O-N 3.15Å; L141-L146 HydrophobicContact CD2-CB 4.35Å; L141-L146 PolarHBondContact O-N 3.14Å; L141-L154 HydrophobicContact CD1-CD1 3.97Å; L141-L154 HydrophobicContact CD1-CD2 3.75Å; L141-L154 HydrophobicContact CD2-CD1 3.63Å; L141-L154 HydrophobicContact CG-CD1 4.4Å
142	E	86.6	Confident	81	Confident	141 Å²	141	95.2 Å²	95.2	66%	0.659	51%	0.51	S	S	*	.	H	α-helix	trans	-62	-47.2	174.1	-172.6	-179.6	-167.9	0	0	111.4	G138 K140 E144 G145	G138-E142 WeakPolarHBondContact O-CB 3.25Å; G138-E142 PolarHBondContact O-N 2.92Å; K140-E142 VanDerWaalsContact C-N 3.33Å; E142-E144 VanDerWaalsContact C-N 3.34Å; E142-E144 PolarHBondContact O-N 2.78Å; E142-G145 PolarHBondContact O-N 3.29Å
143	K	88	Confident	81.4	Confident	190 Å²	190	99.6 Å²	99.6	83%	0.826	53%	0.528	S	S	*	.	H	α-helix	trans	-63.6	-35.9	177.9	-175	176.4	179.3	179.4	0	113.3	K139 K140 G145	K139-K143 VanDerWaalsContact O-CB 3.26Å; K139-K143 WeakPolarHBondContact O-CB 3.31Å; K139-K143 PolarHBondContact O-N 3.41Å; K140-K143 PolarHBondContact O-N 3.47Å; K143-G145 PolarHBondContact O-N 2.93Å
144	E	87	Confident	81.7	Confident	98 Å²	98	97.7 Å²	97.7	46%	0.458	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-1.6	175.7	-69.7	-179.1	179.8	0	0	112.7	K140 L141 E142 L146	K140-E144 WeakPolarHBondContact CE-OE1 3.42Å; K140-E144 HydrophobicContact CG-CG 4.46Å; K140-E144 IonicContact NZ-OE1 2.72Å; K140-E144 WeakPolarHBondContact O-CB 3.46Å; K140-E144 WeakPolarHBondContact O-CG 3.06Å; K140-E144 PolarHBondContact O-N 2.89Å; L141-E144 PolarHBondContact O-N 3.45Å; E142-E144 VanDerWaalsContact C-N 3.34Å; E142-E144 PolarHBondContact O-N 2.78Å; E144-L146 VanDerWaalsContact C-N 3.28Å; E144-L146 HydrophobicContact CB-CD1 3.57Å; E144-L146 HydrophobicContact CB-CG 4.13Å; E144-L146 PolarHBondContact O-N 3.35Å; E144-L146 WeakPolarHBondContact OE2-CD1 3.14Å
145	G	80.3	Confident	81.9	Confident	64 Å²	64	97.7 Å²	97.7	66%	0.66	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	20.2	-179.4	0	0	0	0	0	114	L141 E142 K143	L141-G145 PolarHBondContact O-N 2.97Å; L141-G145 VanDerWaalsContact O-N 3.15Å; E142-G145 PolarHBondContact O-N 3.29Å; K143-G145 PolarHBondContact O-N 2.93Å
146	L	81	Confident	81.9	Confident	36 Å²	36	92.6 Å²	92.6	19%	0.188	51%	0.512	C	S	.	.			trans	-108.6	20.6	-172.6	-62.3	159.2	0	0	0	112	L141 E144 N148 I149	L141-L146 HydrophobicContact CD2-CB 4.35Å; L141-L146 PolarHBondContact O-N 3.14Å; E144-L146 VanDerWaalsContact C-N 3.28Å; E144-L146 HydrophobicContact CB-CD1 3.57Å; E144-L146 HydrophobicContact CB-CG 4.13Å; E144-L146 PolarHBondContact O-N 3.35Å; E144-L146 WeakPolarHBondContact OE2-CD1 3.14Å; L146-N148 PolarHBondContact O-N 3.29Å; L146-N148 VanDerWaalsContact O-N 3.16Å; L146-I149 HydrophobicContact CB-CD1 3.88Å; L146-I149 HydrophobicContact CB-CG1 4.08Å; L146-I149 HydrophobicContact CD2-CD1 3.15Å; L146-I149 HydrophobicContact CD2-CG1 3.94Å; L146-I149 HydrophobicContact CG-CD1 4Å; L146-I149 WeakPolarHBondContact O-CB 3.34Å; L146-I149 PolarHBondContact O-N 3.32Å
147	S	74.9	Confident	82.1	Confident	78 Å²	78	95.2 Å²	95.2	55%	0.545	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.9	-179.1	59.7	0	0	0	0	113.8
148	N	75.7	Confident	82	Confident	156 Å²	156	90.4 Å²	90.4	83%	0.834	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	7.6	-175.4	-55.5	-14.1	0	0	0	113.2	L146	L146-N148 PolarHBondContact O-N 3.29Å; L146-N148 VanDerWaalsContact O-N 3.16Å
149	I	80.2	Confident	81.8	Confident	48 Å²	48	96.6 Å²	96.6	25%	0.246	51%	0.514	C	S	.	.			trans	-68.2	144	178.3	-78.6	-162.3	0	0	0	110.9	L146 E153 L154	L146-I149 HydrophobicContact CB-CD1 3.88Å; L146-I149 HydrophobicContact CB-CG1 4.08Å; L146-I149 HydrophobicContact CD2-CD1 3.15Å; L146-I149 HydrophobicContact CD2-CG1 3.94Å; L146-I149 HydrophobicContact CG-CD1 4Å; L146-I149 WeakPolarHBondContact O-CB 3.34Å; L146-I149 PolarHBondContact O-N 3.32Å; I149-E153 HydrophobicContact CG2-CB 3.66Å; I149-L154 HydrophobicContact CG2-CB 4.37Å
150	S	81.1	Confident	81.5	Confident	59 Å²	59	94.8 Å²	94.8	41%	0.413	51%	0.508	S	S	.	.			trans	-64.6	142.4	174.9	72.8	0	0	0	0	111.8	A152 E153 L154	S150-A152 PolarHBondContact O-N 2.93Å; S150-E153 PolarHBondContact O-N 3.36Å; S150-E153 PolarHBondContact OG-N 2.98Å; S150-L154 PolarHBondContact O-N 3.49Å
151	D	76.3	Confident	81.4	Confident	141 Å²	141	94.2 Å²	94.2	75%	0.754	51%	0.512	S	S	*	.	H	α-helix	trans	-52.4	-31.4	178.1	-66.4	-26.8	0	0	0	113	A155	D151-A155 WeakPolarHBondContact O-CB 3.23Å; D151-A155 PolarHBondContact O-N 3.39Å
152	A	78.2	Confident	81.1	Confident	75 Å²	75	95.9 Å²	95.9	62%	0.62	52%	0.521	S	S	*	.	H	α-helix	trans	-69	-40.4	178.9	0	0	0	0	0	113.4	S150 A155 S156	S150-A152 PolarHBondContact O-N 2.93Å; A152-A155 PolarHBondContact O-N 3.14Å; A152-S156 PolarHBondContact O-N 3.15Å; A152-S156 VanDerWaalsContact O-N 3.1Å
153	E	81.3	Confident	80.8	Confident	114 Å²	114	93.6 Å²	93.6	53%	0.533	51%	0.51	S	S	.	.	H	α-helix	trans	-71.3	-39.1	177.3	-79	175.2	162	0	0	111.6	I149 S150 A155 S156 R157	I149-E153 HydrophobicContact CG2-CB 3.66Å; S150-E153 PolarHBondContact O-N 3.36Å; S150-E153 PolarHBondContact OG-N 2.98Å; E153-A155 VanDerWaalsContact C-N 3.31Å; E153-A155 PolarHBondContact O-N 3.3Å; E153-S156 WeakPolarHBondContact O-CB 3.14Å; E153-S156 PolarHBondContact O-N 3.49Å; E153-R157 PolarHBondContact O-N 2.91Å
154	L	81	Confident	80.7	Confident	42 Å²	42	87 Å²	87	22%	0.22	49%	0.492	C	S	.	.	H	α-helix	trans	-59.5	-43.5	173.8	-177.7	62	0	0	0	111.3	V136 L141 I149 S150 S156 R157 S158	V136-L154 HydrophobicContact CG1-CD2 3.81Å; V136-L154 HydrophobicContact CG2-CD2 3.97Å; L141-L154 HydrophobicContact CD1-CD1 3.97Å; L141-L154 HydrophobicContact CD1-CD2 3.75Å; L141-L154 HydrophobicContact CD2-CD1 3.63Å; L141-L154 HydrophobicContact CG-CD1 4.4Å; I149-L154 HydrophobicContact CG2-CB 4.37Å; S150-L154 PolarHBondContact O-N 3.49Å; L154-S156 PolarHBondContact O-N 3.28Å; L154-R157 PolarHBondContact O-N 3.37Å; L154-S158 WeakPolarHBondContact O-CB 3.36Å; L154-S158 PolarHBondContact O-N 3.03Å
155	A	78.7	Confident	80.7	Confident	61 Å²	61	86 Å²	86	50%	0.504	49%	0.489	S	S	.	.	H	α-helix	trans	-61.7	-41.3	175	0	0	0	0	0	112.3	D151 A152 E153 S158 R159	D151-A155 WeakPolarHBondContact O-CB 3.23Å; D151-A155 PolarHBondContact O-N 3.39Å; A152-A155 PolarHBondContact O-N 3.14Å; E153-A155 VanDerWaalsContact C-N 3.31Å; E153-A155 PolarHBondContact O-N 3.3Å; A155-S158 PolarHBondContact O-N 3.04Å; A155-R159 WeakPolarHBondContact O-CB 3.11Å; A155-R159 PolarHBondContact O-N 2.87Å
156	S	80.2	Confident	80.7	Confident	65 Å²	65	87.9 Å²	87.9	46%	0.455	48%	0.476	S	S	.	.	H	α-helix	trans	-63.9	-45.9	177.3	-171.5	0	0	0	0	112.5	A152 E153 L154 R159 Q160	A152-S156 PolarHBondContact O-N 3.15Å; A152-S156 VanDerWaalsContact O-N 3.1Å; E153-S156 WeakPolarHBondContact O-CB 3.14Å; E153-S156 PolarHBondContact O-N 3.49Å; L154-S156 PolarHBondContact O-N 3.28Å; S156-R159 WeakPolarHBondContact O-CB 3.49Å; S156-R159 PolarHBondContact O-N 2.8Å; S156-Q160 PolarHBondContact O-N 3.48Å; S156-Q160 VanDerWaalsContact O-N 3.15Å
157	R	82.6	Confident	80.9	Confident	134 Å²	134	90 Å²	90	51%	0.506	49%	0.49	S	S	.	.	H	α-helix	trans	-62.3	-45.3	175	-83.4	-169.6	173	-162	1.5	112.2	E153 L154 R159 Q160 V161	E153-R157 PolarHBondContact O-N 2.91Å; L154-R157 PolarHBondContact O-N 3.37Å; R157-R159 VanDerWaalsContact C-N 3.25Å; R157-R159 PolarHBondContact O-N 2.61Å; R157-Q160 PolarHBondContact O-N 3.27Å; R157-Q160 VanDerWaalsContact O-N 3.17Å; R157-V161 WeakPolarHBondContact O-CG2 3.31Å; R157-V161 PolarHBondContact O-N 2.86Å; R157-V161 VanDerWaalsContact O-N 3.09Å
158	S	81.3	Confident	81.5	Confident	57 Å²	57	92.1 Å²	92.1	40%	0.399	49%	0.492	S	S	.	.	H	α-helix	trans	-56.6	-43.3	177	-173.9	0	0	0	0	111.1	L154 A155 Q160 V161 L162	L154-S158 WeakPolarHBondContact O-CB 3.36Å; L154-S158 PolarHBondContact O-N 3.03Å; A155-S158 PolarHBondContact O-N 3.04Å; S158-Q160 PolarHBondContact O-N 3.04Å; S158-V161 PolarHBondContact O-N 3.33Å; S158-L162 WeakPolarHBondContact O-CD1 3.49Å; S158-L162 VanDerWaalsContact O-CG 3.28Å; S158-L162 WeakPolarHBondContact O-CG 3.41Å; S158-L162 PolarHBondContact O-N 2.91Å
159	R	80.1	Confident	82	Confident	173 Å²	173	90.4 Å²	90.4	65%	0.653	48%	0.482	S	S	*	.	H	α-helix	trans	-60.6	-42.4	176.3	-172.9	178.7	175.5	-162.9	-2.6	113.3	A155 S156 R157 L162 E163	A155-R159 WeakPolarHBondContact O-CB 3.11Å; A155-R159 PolarHBondContact O-N 2.87Å; S156-R159 WeakPolarHBondContact O-CB 3.49Å; S156-R159 PolarHBondContact O-N 2.8Å; R157-R159 VanDerWaalsContact C-N 3.25Å; R157-R159 PolarHBondContact O-N 2.61Å; R159-L162 PolarHBondContact O-N 3.31Å; R159-E163 PolarHBondContact O-N 2.6Å; R159-E163 VanDerWaalsContact O-N 3.1Å
160	Q	84.7	Confident	82.2	Confident	131 Å²	131	92.6 Å²	92.6	61%	0.612	49%	0.491	S	S	*	.	H	α-helix	trans	-66.5	-41.7	178.8	-69.6	175.6	9.4	0	0	112.5	S156 R157 S158 L162 E163 A164	S156-Q160 PolarHBondContact O-N 3.48Å; S156-Q160 VanDerWaalsContact O-N 3.15Å; R157-Q160 PolarHBondContact O-N 3.27Å; R157-Q160 VanDerWaalsContact O-N 3.17Å; S158-Q160 PolarHBondContact O-N 3.04Å; Q160-L162 VanDerWaalsContact C-N 3.29Å; Q160-L162 PolarHBondContact O-N 3.3Å; Q160-E163 PolarHBondContact O-N 3.28Å; Q160-A164 PolarHBondContact O-N 2.89Å
161	V	84.1	Confident	82.7	Confident	85 Å²	85	96.8 Å²	96.8	52%	0.515	50%	0.502	S	S	.	.	H	α-helix	trans	-62.3	-40.1	176.2	173.5	0	0	0	0	110.8	R157 S158 A164 N165	R157-V161 WeakPolarHBondContact O-CG2 3.31Å; R157-V161 PolarHBondContact O-N 2.86Å; R157-V161 VanDerWaalsContact O-N 3.09Å; S158-V161 PolarHBondContact O-N 3.33Å; V161-A164 PolarHBondContact O-N 2.87Å; V161-N165 WeakPolarHBondContact O-CB 3.35Å; V161-N165 PolarHBondContact O-N 3.4Å; V161-N165 PolarHBondContact O-ND2 3.38Å
162	L	80.1	Confident	83.4	Confident	65 Å²	65	93.8 Å²	93.8	34%	0.34	49%	0.485	S	S	.	.	H	α-helix	trans	-61.9	-44.2	175.7	-73.9	164.9	0	0	0	112.3	Y114 S158 R159 Q160 N165 R166	Y114-L162 HydrophobicContact CE2-CD2 4.43Å; S158-L162 WeakPolarHBondContact O-CD1 3.49Å; S158-L162 VanDerWaalsContact O-CG 3.28Å; S158-L162 WeakPolarHBondContact O-CG 3.41Å; S158-L162 PolarHBondContact O-N 2.91Å; R159-L162 PolarHBondContact O-N 3.31Å; Q160-L162 VanDerWaalsContact C-N 3.29Å; Q160-L162 PolarHBondContact O-N 3.3Å; L162-N165 PolarHBondContact O-N 2.92Å; L162-R166 PolarHBondContact O-N 2.59Å
163	E	79.9	Confident	83.9	Confident	94 Å²	94	97 Å²	97	44%	0.439	49%	0.485	S	S	.	.	H	α-helix	trans	-62.2	-44.3	177.4	-168.1	95.5	-129.5	0	0	111.8	R159 Q160 R166 V167	R159-E163 PolarHBondContact O-N 2.6Å; R159-E163 VanDerWaalsContact O-N 3.1Å; Q160-E163 PolarHBondContact O-N 3.28Å; E163-R166 WeakPolarHBondContact O-CB 3.44Å; E163-R166 PolarHBondContact O-N 3.44Å; E163-R166 IonicContact OE1-CZ 2.76Å; E163-R166 IonicContact OE1-NE 3.01Å; E163-R166 IonicContact OE1-NH2 3.36Å; E163-R166 PolarHBondContact OE1-NH2 2.95Å; E163-V167 PolarHBondContact O-N 2.87Å
164	A	87	Confident	84.4	Confident	52 Å²	52	97.6 Å²	97.6	43%	0.43	49%	0.489	S	S	.	.	H	α-helix	trans	-64	-43.2	177.2	0	0	0	0	0	112.2	Q160 V161 R166 V167 Q168	Q160-A164 PolarHBondContact O-N 2.89Å; V161-A164 PolarHBondContact O-N 2.87Å; A164-R166 VanDerWaalsContact C-N 3.25Å; A164-R166 PolarHBondContact O-N 3.23Å; A164-V167 PolarHBondContact O-N 3.09Å; A164-Q168 WeakPolarHBondContact O-CG 3.49Å; A164-Q168 PolarHBondContact O-N 3.28Å
165	N	86.1	Confident	84.9	Confident	75 Å²	75	99.4 Å²	99.4	40%	0.401	50%	0.499	S	S	.	.	H	α-helix	trans	-60.5	-35.9	175.1	-72.8	-21.3	0	0	0	111.7	V161 L162 Q168 L169	V161-N165 WeakPolarHBondContact O-CB 3.35Å; V161-N165 PolarHBondContact O-N 3.4Å; V161-N165 PolarHBondContact O-ND2 3.38Å; L162-N165 PolarHBondContact O-N 2.92Å; N165-Q168 PolarHBondContact O-N 3.33Å; N165-L169 WeakPolarHBondContact O-CB 3.18Å; N165-L169 VanDerWaalsContact O-CG 3.24Å; N165-L169 WeakPolarHBondContact O-CG 3.45Å; N165-L169 PolarHBondContact O-N 2.71Å
166	R	79.6	Confident	85.6	Confident	105 Å²	105	104 Å²	104	40%	0.396	50%	0.503	S	S	.	.	H	α-helix	trans	-60.4	-51	177.1	-175.5	-178	66.5	82.9	-6.8	111.8	L162 E163 A164 Q168 L169 E170	L162-R166 PolarHBondContact O-N 2.59Å; E163-R166 WeakPolarHBondContact O-CB 3.44Å; E163-R166 PolarHBondContact O-N 3.44Å; E163-R166 IonicContact OE1-CZ 2.76Å; E163-R166 IonicContact OE1-NE 3.01Å; E163-R166 IonicContact OE1-NH2 3.36Å; E163-R166 PolarHBondContact OE1-NH2 2.95Å; A164-R166 VanDerWaalsContact C-N 3.25Å; A164-R166 PolarHBondContact O-N 3.23Å; R166-Q168 VanDerWaalsContact C-N 3.34Å; R166-Q168 PolarHBondContact O-N 3.26Å; R166-L169 PolarHBondContact O-N 2.88Å; R166-E170 IonicContact CZ-OE1 2.72Å; R166-E170 IonicContact NH1-OE1 3.37Å; R166-E170 PolarHBondContact NH1-OE1 3.22Å; R166-E170 IonicContact NH1-OE2 3.7Å; R166-E170 PolarHBondContact O-N 3.3Å
167	V	85.8	Confident	86.1	Confident	80 Å²	80	105.2 Å²	105.2	49%	0.485	51%	0.508	S	S	.	.	H	α-helix	trans	-63.2	-40.9	-179.3	176.4	0	0	0	0	111.5	E163 A164 L169 E170 K171	E163-V167 PolarHBondContact O-N 2.87Å; A164-V167 PolarHBondContact O-N 3.09Å; V167-L169 VanDerWaalsContact C-N 3.35Å; V167-L169 PolarHBondContact O-N 3.45Å; V167-E170 PolarHBondContact O-N 3.47Å; V167-K171 PolarHBondContact O-N 3.1Å; V167-K171 VanDerWaalsContact O-N 3.1Å
168	Q	88.3	Confident	86.5	Confident	122 Å²	122	104.6 Å²	104.6	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-63.2	-41	176.4	-70.8	-177.9	-6.5	0	0	112.1	A164 N165 R166 E170 K171 I172	A164-Q168 WeakPolarHBondContact O-CG 3.49Å; A164-Q168 PolarHBondContact O-N 3.28Å; N165-Q168 PolarHBondContact O-N 3.33Å; R166-Q168 VanDerWaalsContact C-N 3.34Å; R166-Q168 PolarHBondContact O-N 3.26Å; Q168-E170 VanDerWaalsContact C-N 3.35Å; Q168-E170 PolarHBondContact O-N 2.89Å; Q168-K171 PolarHBondContact O-N 3.09Å; Q168-I172 WeakPolarHBondContact O-CG1 3.39Å; Q168-I172 PolarHBondContact O-N 3.35Å; Q168-I172 VanDerWaalsContact O-N 3.12Å
169	L	84.7	Confident	87.1	Confident	120 Å²	120	109.1 Å²	109.1	63%	0.628	52%	0.521	S	S	*	.	H	α-helix	trans	-63.8	-38.1	175.8	-75.5	167.9	0	0	0	112.3	N165 R166 V167 K173	N165-L169 WeakPolarHBondContact O-CB 3.18Å; N165-L169 VanDerWaalsContact O-CG 3.24Å; N165-L169 WeakPolarHBondContact O-CG 3.45Å; N165-L169 PolarHBondContact O-N 2.71Å; R166-L169 PolarHBondContact O-N 2.88Å; V167-L169 VanDerWaalsContact C-N 3.35Å; V167-L169 PolarHBondContact O-N 3.45Å; L169-K173 PolarHBondContact O-N 3.38Å; L169-K173 VanDerWaalsContact O-N 3.09Å
170	E	84.6	Confident	87.5	Confident	95 Å²	95	105.8 Å²	105.8	44%	0.444	52%	0.516	S	S	.	.	H	α-helix	trans	-65	-43.4	176.1	-74.9	173.1	-166.3	0	0	112.2	R166 V167 Q168 K173 M174	R166-E170 IonicContact CZ-OE1 2.72Å; R166-E170 IonicContact NH1-OE1 3.37Å; R166-E170 PolarHBondContact NH1-OE1 3.22Å; R166-E170 IonicContact NH1-OE2 3.7Å; R166-E170 PolarHBondContact O-N 3.3Å; V167-E170 PolarHBondContact O-N 3.47Å; Q168-E170 VanDerWaalsContact C-N 3.35Å; Q168-E170 PolarHBondContact O-N 2.89Å; E170-K173 WeakPolarHBondContact O-CB 3.49Å; E170-K173 PolarHBondContact O-N 2.87Å; E170-M174 PolarHBondContact O-N 3.45Å; E170-M174 VanDerWaalsContact O-N 3.14Å
171	K	92.8	Very high	87.7	Confident	146 Å²	146	107.9 Å²	107.9	64%	0.635	52%	0.518	S	S	*	.	H	α-helix	trans	-61.8	-46.8	176.2	-173.7	177.2	179.1	-180	0	112.2	V167 Q168 K173 M174 D175	V167-K171 PolarHBondContact O-N 3.1Å; V167-K171 VanDerWaalsContact O-N 3.1Å; Q168-K171 PolarHBondContact O-N 3.09Å; K171-K173 PolarHBondContact O-N 2.82Å; K171-M174 PolarHBondContact O-N 3.36Å; K171-M174 VanDerWaalsContact O-N 3.09Å; K171-D175 PolarHBondContact O-N 3.11Å; K171-D175 VanDerWaalsContact O-N 3.09Å
172	I	90.4	Very high	88.2	Confident	78 Å²	78	109 Å²	109	40%	0.4	52%	0.521	S	S	.	.	H	α-helix	trans	-59.2	-34.7	176.5	-68.2	167.2	0	0	0	111	Q168 R176	Q168-I172 WeakPolarHBondContact O-CG1 3.39Å; Q168-I172 PolarHBondContact O-N 3.35Å; Q168-I172 VanDerWaalsContact O-N 3.12Å; I172-R176 VanDerWaalsContact O-CG 3.27Å; I172-R176 WeakPolarHBondContact O-CG 3.33Å; I172-R176 PolarHBondContact O-N 3.28Å
173	K	89.3	Confident	88.6	Confident	142 Å²	142	112.2 Å²	112.2	62%	0.617	53%	0.532	S	S	*	.	H	α-helix	trans	-65.2	-43.5	176.1	-169.8	-178.9	178.1	-174.1	0	111.6	L169 E170 K171 R176 V177	L169-K173 PolarHBondContact O-N 3.38Å; L169-K173 VanDerWaalsContact O-N 3.09Å; E170-K173 WeakPolarHBondContact O-CB 3.49Å; E170-K173 PolarHBondContact O-N 2.87Å; K171-K173 PolarHBondContact O-N 2.82Å; K173-R176 PolarHBondContact O-N 3.48Å; K173-V177 WeakPolarHBondContact O-CG2 3.42Å; K173-V177 PolarHBondContact O-N 3.3Å
174	M	90.4	Very high	88.8	Confident	127 Å²	127	110.8 Å²	110.8	63%	0.626	53%	0.533	S	S	*	.	H	α-helix	trans	-64.8	-43.9	178.1	-67.2	-61.9	154.1	0	0	112.5	E170 K171 R176 V177 M178	E170-M174 PolarHBondContact O-N 3.45Å; E170-M174 VanDerWaalsContact O-N 3.14Å; K171-M174 PolarHBondContact O-N 3.36Å; K171-M174 VanDerWaalsContact O-N 3.09Å; M174-R176 VanDerWaalsContact C-N 3.25Å; M174-R176 PolarHBondContact O-N 3.48Å; M174-V177 PolarHBondContact O-N 2.96Å; M174-M178 PolarHBondContact O-N 2.87Å
175	D	92.8	Very high	88.9	Confident	81 Å²	81	111.9 Å²	111.9	43%	0.433	53%	0.531	S	S	.	.	H	α-helix	trans	-64.8	-28.6	177.8	-67.1	-21.9	0	0	0	112.8	K171 R179	K171-D175 PolarHBondContact O-N 3.11Å; K171-D175 VanDerWaalsContact O-N 3.09Å; D175-R179 WeakPolarHBondContact O-CB 3.32Å; D175-R179 PolarHBondContact O-N 3.15Å; D175-R179 PolarHBondContact O-NH1 3.49Å; D175-R179 VanDerWaalsContact O-NH1 3.12Å
176	R	93.1	Very high	89.1	Confident	156 Å²	156	110.9 Å²	110.9	59%	0.589	53%	0.533	S	S	*	.	H	α-helix	trans	-67.2	-48.1	172.4	-74.7	173.1	-173.5	-170.2	3.1	111.3	I172 K173 M174 M178 R179 D180	I172-R176 VanDerWaalsContact O-CG 3.27Å; I172-R176 WeakPolarHBondContact O-CG 3.33Å; I172-R176 PolarHBondContact O-N 3.28Å; K173-R176 PolarHBondContact O-N 3.48Å; M174-R176 VanDerWaalsContact C-N 3.25Å; M174-R176 PolarHBondContact O-N 3.48Å; R176-M178 PolarHBondContact O-N 3.44Å; R176-R179 PolarHBondContact O-N 2.9Å; R176-D180 VanDerWaalsContact O-CG 3.23Å; R176-D180 PolarHBondContact O-N 3.39Å
177	V	90.4	Very high	89.5	Confident	91 Å²	91	109.7 Å²	109.7	55%	0.552	53%	0.532	S	S	*	.	H	α-helix	trans	-61.1	-43.8	179.3	175	0	0	0	0	111.5	K173 M174 D180 R181	K173-V177 WeakPolarHBondContact O-CG2 3.42Å; K173-V177 PolarHBondContact O-N 3.3Å; M174-V177 PolarHBondContact O-N 2.96Å; V177-D180 PolarHBondContact O-N 3.18Å; V177-R181 PolarHBondContact O-N 3.4Å; V177-R181 VanDerWaalsContact O-N 3.07Å
178	M	91.1	Very high	89.4	Confident	122 Å²	122	111 Å²	111	60%	0.601	53%	0.534	S	S	*	.	H	α-helix	trans	-62.3	-43.8	177.3	-109.7	-80.5	-91.2	0	0	112.6	M174 R176 R181 L182	M174-M178 PolarHBondContact O-N 2.87Å; R176-M178 PolarHBondContact O-N 3.44Å; M178-R181 PolarHBondContact O-N 3.44Å; M178-L182 PolarHBondContact O-N 3.25Å; M178-L182 VanDerWaalsContact O-N 3.16Å
179	R	92.8	Very high	89.4	Confident	151 Å²	151	111.7 Å²	111.7	57%	0.57	54%	0.539	S	S	*	.	H	α-helix	trans	-63.9	-43.4	177.4	-174.1	-172.6	-61.6	90.1	5.1	112.1	D175 R176 R181 L182 K183	D175-R179 WeakPolarHBondContact O-CB 3.32Å; D175-R179 PolarHBondContact O-N 3.15Å; D175-R179 PolarHBondContact O-NH1 3.49Å; D175-R179 VanDerWaalsContact O-NH1 3.12Å; R176-R179 PolarHBondContact O-N 2.9Å; R179-R181 VanDerWaalsContact C-N 3.31Å; R179-R181 PolarHBondContact O-N 3.07Å; R179-L182 PolarHBondContact O-N 2.98Å; R179-K183 PolarHBondContact O-N 3.33Å; R179-K183 VanDerWaalsContact O-N 3.09Å
180	D	89	Confident	89.3	Confident	104 Å²	104	114.7 Å²	114.7	56%	0.556	54%	0.542	S	S	*	.	H	α-helix	trans	-65.4	-36.9	-179.6	-67.5	-15.5	0	0	0	111	R176 V177 K183 S184	R176-D180 VanDerWaalsContact O-CG 3.23Å; R176-D180 PolarHBondContact O-N 3.39Å; V177-D180 PolarHBondContact O-N 3.18Å; D180-K183 PolarHBondContact O-N 3.05Å; D180-S184 PolarHBondContact O-N 2.8Å
181	R	90	Very high	89.4	Confident	174 Å²	174	118.5 Å²	118.5	66%	0.657	55%	0.552	S	S	*	*	H	α-helix	trans	-62.8	-51.3	174.2	-173.6	175.7	-178.1	171.8	2.3	112.6	V177 M178 R179 K183 S184 D185	V177-R181 PolarHBondContact O-N 3.4Å; V177-R181 VanDerWaalsContact O-N 3.07Å; M178-R181 PolarHBondContact O-N 3.44Å; R179-R181 VanDerWaalsContact C-N 3.31Å; R179-R181 PolarHBondContact O-N 3.07Å; R181-K183 VanDerWaalsContact C-N 3.26Å; R181-K183 PolarHBondContact O-N 2.96Å; R181-S184 WeakPolarHBondContact O-CB 3.47Å; R181-S184 PolarHBondContact O-N 3.08Å; R181-S184 VanDerWaalsContact O-N 3.12Å; R181-D185 PolarHBondContact O-N 3.34Å
182	L	93.2	Very high	89.2	Confident	110 Å²	110	115.7 Å²	115.7	58%	0.576	54%	0.544	S	S	*	.	H	α-helix	trans	-60.1	-36.2	178.6	-73.3	170.5	0	0	0	112.6	M178 R179 A186	M178-L182 PolarHBondContact O-N 3.25Å; M178-L182 VanDerWaalsContact O-N 3.16Å; R179-L182 PolarHBondContact O-N 2.98Å; L182-A186 WeakPolarHBondContact O-CB 3.29Å; L182-A186 PolarHBondContact O-N 3.18Å; L182-A186 VanDerWaalsContact O-N 3.12Å
183	K	89.7	Confident	89	Confident	132 Å²	132	120 Å²	120	57%	0.574	56%	0.556	S	S	*	*	H	α-helix	trans	-66.1	-43.9	175.4	-169.6	-175.4	179.6	-159.3	0	111.5	R179 D180 R181 A186 E187	R179-K183 PolarHBondContact O-N 3.33Å; R179-K183 VanDerWaalsContact O-N 3.09Å; D180-K183 PolarHBondContact O-N 3.05Å; R181-K183 VanDerWaalsContact C-N 3.26Å; R181-K183 PolarHBondContact O-N 2.96Å; K183-A186 PolarHBondContact O-N 3.23Å; K183-E187 WeakPolarHBondContact CE-OE1 3.44Å; K183-E187 IonicContact NZ-OE1 3.81Å; K183-E187 WeakPolarHBondContact O-CG 3.49Å; K183-E187 PolarHBondContact O-N 3.44Å
184	S	84.5	Confident	89	Confident	64 Å²	64	117.9 Å²	117.9	45%	0.448	55%	0.551	S	S	.	*	H	α-helix	trans	-61.4	-43.7	176.8	-171.5	0	0	0	0	112.1	D180 R181 E187 M188	D180-S184 PolarHBondContact O-N 2.8Å; R181-S184 WeakPolarHBondContact O-CB 3.47Å; R181-S184 PolarHBondContact O-N 3.08Å; R181-S184 VanDerWaalsContact O-N 3.12Å; S184-E187 PolarHBondContact O-N 3.47Å; S184-M188 PolarHBondContact O-N 3.13Å
185	D	87.9	Confident	89	Confident	75 Å²	75	113.7 Å²	113.7	40%	0.401	54%	0.541	S	S	.	.	H	α-helix	trans	-65.7	-40.4	179.7	-66.1	-12.6	0	0	0	111.2	R181 E187 M188 M189	R181-D185 PolarHBondContact O-N 3.34Å; D185-E187 PolarHBondContact O-N 3.11Å; D185-M188 PolarHBondContact O-N 2.95Å; D185-M189 WeakPolarHBondContact O-CG 3.19Å; D185-M189 PolarHBondContact O-N 3.46Å; D185-M189 VanDerWaalsContact O-N 3.11Å
186	A	90	Very high	88.8	Confident	53 Å²	53	116.4 Å²	116.4	44%	0.438	55%	0.551	S	S	.	*	H	α-helix	trans	-66.8	-34.1	175.1	0	0	0	0	0	113.2	L182 K183 R190	L182-A186 WeakPolarHBondContact O-CB 3.29Å; L182-A186 PolarHBondContact O-N 3.18Å; L182-A186 VanDerWaalsContact O-N 3.12Å; K183-A186 PolarHBondContact O-N 3.23Å; A186-R190 WeakPolarHBondContact O-CG 3.45Å; A186-R190 PolarHBondContact O-N 3.02Å
187	E	89.1	Confident	88.4	Confident	80 Å²	80	113.9 Å²	113.9	37%	0.374	55%	0.545	S	S	.	.	H	α-helix	trans	-68.4	-36.4	173.7	-75.7	176.6	-165	0	0	111.9	K183 S184 D185 R190 R191	K183-E187 WeakPolarHBondContact CE-OE1 3.44Å; K183-E187 IonicContact NZ-OE1 3.81Å; K183-E187 WeakPolarHBondContact O-CG 3.49Å; K183-E187 PolarHBondContact O-N 3.44Å; S184-E187 PolarHBondContact O-N 3.47Å; D185-E187 PolarHBondContact O-N 3.11Å; E187-R190 PolarHBondContact O-N 3.12Å; E187-R191 WeakPolarHBondContact O-CG 3.42Å; E187-R191 PolarHBondContact O-N 2.63Å
188	M	83.8	Confident	88.3	Confident	108 Å²	108	114 Å²	114	53%	0.532	54%	0.543	S	S	.	.	H	α-helix	trans	-62.8	-51.1	174	-173.1	179.4	-63.5	0	0	111.3	S184 D185 R190 R191 D192	S184-M188 PolarHBondContact O-N 3.13Å; D185-M188 PolarHBondContact O-N 2.95Å; M188-R190 PolarHBondContact O-N 3.47Å; M188-R191 PolarHBondContact O-N 3.41Å; M188-R191 VanDerWaalsContact O-N 3.09Å; M188-D192 PolarHBondContact O-N 2.99Å
189	M	86.9	Confident	88.2	Confident	137 Å²	137	114.8 Å²	114.8	68%	0.675	54%	0.543	S	S	*	.	H	α-helix	trans	-59	-32	177.7	-68.7	-64.3	-64.9	0	0	113.2	D185 R193	D185-M189 WeakPolarHBondContact O-CG 3.19Å; D185-M189 PolarHBondContact O-N 3.46Å; D185-M189 VanDerWaalsContact O-N 3.11Å; M189-R193 PolarHBondContact O-N 2.94Å
190	R	84.2	Confident	88	Confident	182 Å²	182	113 Å²	113	69%	0.687	54%	0.542	S	S	*	.	H	α-helix	trans	-69.8	-47	174.2	-78.3	174.9	172	-100.3	-0.4	112	A186 E187 M188 D192 R193 D194	A186-R190 WeakPolarHBondContact O-CG 3.45Å; A186-R190 PolarHBondContact O-N 3.02Å; E187-R190 PolarHBondContact O-N 3.12Å; M188-R190 PolarHBondContact O-N 3.47Å; R190-D192 VanDerWaalsContact C-N 3.3Å; R190-D192 PolarHBondContact O-N 3.23Å; R190-R193 PolarHBondContact O-N 3.28Å; R190-D194 VanDerWaalsContact O-CG 3.26Å; R190-D194 PolarHBondContact O-N 3.31Å
191	R	85.7	Confident	88	Confident	175 Å²	175	115.4 Å²	115.4	66%	0.66	54%	0.543	S	S	*	.	H	α-helix	trans	-60.6	-40.4	177.9	-73.6	179.2	-177	161	5.6	112.2	E187 M188 R193 D194 G195	E187-R191 WeakPolarHBondContact O-CG 3.42Å; E187-R191 PolarHBondContact O-N 2.63Å; M188-R191 PolarHBondContact O-N 3.41Å; M188-R191 VanDerWaalsContact O-N 3.09Å; R191-R193 VanDerWaalsContact C-N 3.35Å; R191-D194 PolarHBondContact O-N 2.92Å; R191-G195 PolarHBondContact O-N 3.02Å
192	D	89.3	Confident	88	Confident	87 Å²	87	110.8 Å²	110.8	47%	0.465	53%	0.534	S	S	.	.	H	α-helix	trans	-64.7	-41.7	179.1	-65.7	-15.7	0	0	0	111.2	M188 R190 G195 Q196	M188-D192 PolarHBondContact O-N 2.99Å; R190-D192 VanDerWaalsContact C-N 3.3Å; R190-D192 PolarHBondContact O-N 3.23Å; D192-G195 PolarHBondContact O-N 3.39Å; D192-Q196 WeakPolarHBondContact O-CG 3.32Å; D192-Q196 PolarHBondContact O-N 3.26Å; D192-Q196 VanDerWaalsContact O-N 3.08Å
193	R	86.2	Confident	87.8	Confident	170 Å²	170	111.4 Å²	111.4	64%	0.642	53%	0.534	S	S	*	.	H	α-helix	trans	-64.7	-42.3	174.5	-170.9	-170.8	174.7	99.2	1.6	112.2	M189 R190 R191 Q197	M189-R193 PolarHBondContact O-N 2.94Å; R190-R193 PolarHBondContact O-N 3.28Å; R191-R193 VanDerWaalsContact C-N 3.35Å; R193-Q197 WeakPolarHBondContact O-CG 3.44Å; R193-Q197 PolarHBondContact O-N 3.13Å; R193-Q197 PolarHBondContact O-NE2 2.93Å
194	D	89.7	Confident	87.9	Confident	96 Å²	96	110.9 Å²	110.9	51%	0.513	53%	0.534	S	S	.	.	H	α-helix	trans	-67.9	-37.7	178.2	-66.3	-16	0	0	0	110.9	R190 R191 Q197 N198	R190-D194 VanDerWaalsContact O-CG 3.26Å; R190-D194 PolarHBondContact O-N 3.31Å; R191-D194 PolarHBondContact O-N 2.92Å; D194-Q197 PolarHBondContact O-N 3.12Å; D194-N198 WeakPolarHBondContact O-CB 3.5Å; D194-N198 PolarHBondContact O-N 3.39Å
195	G	90	Very high	88.2	Confident	40 Å²	40	110.8 Å²	110.8	41%	0.412	53%	0.526	S	S	.	.	H	α-helix	trans	-63	-42.3	175.5	0	0	0	0	0	113.4	R191 D192 N198 F199	R191-G195 PolarHBondContact O-N 3.02Å; D192-G195 PolarHBondContact O-N 3.39Å; G195-N198 PolarHBondContact O-N 3Å; G195-F199 PolarHBondContact O-N 3.32Å
196	Q	87.5	Confident	88.2	Confident	137 Å²	137	109.8 Å²	109.8	64%	0.64	53%	0.528	S	S	*	.	H	α-helix	trans	-63.1	-42.4	174.7	-72.3	174.5	3.3	0	0	112.3	D192 F199 Q200	D192-Q196 WeakPolarHBondContact O-CG 3.32Å; D192-Q196 PolarHBondContact O-N 3.26Å; D192-Q196 VanDerWaalsContact O-N 3.08Å; Q196-F199 PolarHBondContact O-N 2.97Å; Q196-Q200 PolarHBondContact O-N 2.95Å
197	Q	84.6	Confident	88.1	Confident	103 Å²	103	115.1 Å²	115.1	48%	0.481	54%	0.537	S	S	.	.	H	α-helix	trans	-64.3	-41.6	175.1	-73.3	169.5	98.5	0	0	111.3	R193 D194 F199 Q200 W201	R193-Q197 WeakPolarHBondContact O-CG 3.44Å; R193-Q197 PolarHBondContact O-N 3.13Å; R193-Q197 PolarHBondContact O-NE2 2.93Å; D194-Q197 PolarHBondContact O-N 3.12Å; Q197-F199 VanDerWaalsContact C-N 3.34Å; Q197-F199 PolarHBondContact O-N 3.41Å; Q197-Q200 PolarHBondContact O-N 3.35Å; Q197-W201 WeakPolarHBondContact O-CB 3.35Å; Q197-W201 PolarHBondContact O-N 2.95Å
198	N	89.8	Confident	88.3	Confident	94 Å²	94	115.8 Å²	115.8	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-66.4	-34.9	179.3	-169.2	79	0	0	0	112.8	D194 G195 W201 T202	D194-N198 WeakPolarHBondContact O-CB 3.5Å; D194-N198 PolarHBondContact O-N 3.39Å; G195-N198 PolarHBondContact O-N 3Å; N198-W201 PolarHBondContact O-N 2.98Å; N198-T202 PolarHBondContact O-N 2.89Å; N198-T202 PolarHBondContact O-OG1 3.34Å
199	F	89.4	Confident	88.4	Confident	139 Å²	139	115.7 Å²	115.7	61%	0.61	54%	0.537	S	S	*	.	H	α-helix	trans	-62.7	-52.1	175.4	178.6	-95.2	0	0	0	111.4	G195 Q196 Q197 W201 T202 E203	G195-F199 PolarHBondContact O-N 3.32Å; Q196-F199 PolarHBondContact O-N 2.97Å; Q197-F199 VanDerWaalsContact C-N 3.34Å; Q197-F199 PolarHBondContact O-N 3.41Å; F199-W201 PolarHBondContact O-N 3.36Å; F199-T202 WeakPolarHBondContact O-CB 3.43Å; F199-T202 PolarHBondContact O-N 3.01Å; F199-T202 VanDerWaalsContact O-N 3.09Å; F199-E203 PolarHBondContact O-N 2.7Å; F199-E203 VanDerWaalsContact O-N 3.11Å
200	Q	87.5	Confident	88.5	Confident	114 Å²	114	111.3 Å²	111.3	53%	0.533	52%	0.516	S	S	.	.	H	α-helix	trans	-58.9	-37.7	176.5	-68.2	179.5	10	0	0	111.6	Q196 Q197 E203 Q204	Q196-Q200 PolarHBondContact O-N 2.95Å; Q197-Q200 PolarHBondContact O-N 3.35Å; Q200-E203 PolarHBondContact O-N 3.43Å; Q200-Q204 WeakPolarHBondContact O-CB 3.44Å; Q200-Q204 VanDerWaalsContact O-CG 3.24Å; Q200-Q204 WeakPolarHBondContact O-CG 3.45Å; Q200-Q204 PolarHBondContact O-N 2.96Å
201	W	88.6	Confident	88.8	Confident	154 Å²	154	106.6 Å²	106.6	58%	0.583	50%	0.502	S	S	*	.	H	α-helix	trans	-66.1	-38.8	176.7	-166.2	66.3	0	0	0	112.6	Q197 N198 F199 Q204 E205	Q197-W201 WeakPolarHBondContact O-CB 3.35Å; Q197-W201 PolarHBondContact O-N 2.95Å; N198-W201 PolarHBondContact O-N 2.98Å; F199-W201 PolarHBondContact O-N 3.36Å; W201-Q204 PolarHBondContact O-N 3.5Å; W201-E205 WeakPolarHBondContact O-CB 3.39Å; W201-E205 PolarHBondContact O-N 2.85Å
202	T	89.8	Confident	89.2	Confident	76 Å²	76	101.7 Å²	101.7	47%	0.466	49%	0.486	S	S	.	.	H	α-helix	trans	-64.8	-41.5	177.2	-54.9	0	0	0	0	111.6	N198 F199 E205 A206	N198-T202 PolarHBondContact O-N 2.89Å; N198-T202 PolarHBondContact O-OG1 3.34Å; F199-T202 WeakPolarHBondContact O-CB 3.43Å; F199-T202 PolarHBondContact O-N 3.01Å; F199-T202 VanDerWaalsContact O-N 3.09Å; T202-E205 PolarHBondContact O-N 3.11Å; T202-A206 WeakPolarHBondContact O-CB 3.28Å; T202-A206 PolarHBondContact O-N 3.4Å
203	E	89.2	Confident	89.3	Confident	124 Å²	124	97.9 Å²	97.9	58%	0.579	47%	0.467	S	S	*	.	H	α-helix	trans	-66.2	-42.5	176	-172.4	177.8	-166.8	0	0	111.5	F199 Q200 E205 A206 R207	F199-E203 PolarHBondContact O-N 2.7Å; F199-E203 VanDerWaalsContact O-N 3.11Å; Q200-E203 PolarHBondContact O-N 3.43Å; E203-E205 PolarHBondContact O-N 3.41Å; E203-A206 PolarHBondContact O-N 3.35Å; E203-R207 WeakPolarHBondContact O-CB 3.48Å; E203-R207 PolarHBondContact O-N 3.48Å
204	Q	91.7	Very high	89.6	Confident	121 Å²	121	93.5 Å²	93.5	57%	0.565	45%	0.45	S	S	*	.	H	α-helix	trans	-61.3	-41.7	173.6	-73.7	171	25.3	0	0	112	Q200 W201 R207 F208	Q200-Q204 WeakPolarHBondContact O-CB 3.44Å; Q200-Q204 VanDerWaalsContact O-CG 3.24Å; Q200-Q204 WeakPolarHBondContact O-CG 3.45Å; Q200-Q204 PolarHBondContact O-N 2.96Å; W201-Q204 PolarHBondContact O-N 3.5Å; Q204-R207 PolarHBondContact O-N 2.84Å; Q204-F208 VanDerWaalsContact O-CB 3.3Å; Q204-F208 WeakPolarHBondContact O-CB 3.13Å; Q204-F208 PolarHBondContact O-N 3.06Å
205	E	90.8	Very high	89.8	Confident	62 Å²	62	93 Å²	93	29%	0.29	45%	0.445	S	S	.	.	H	α-helix	trans	-66.8	-41.9	177.7	-171.6	63.1	-159.4	0	0	111.8	W201 T202 E203 R207 F208 H209	W201-E205 WeakPolarHBondContact O-CB 3.39Å; W201-E205 PolarHBondContact O-N 2.85Å; T202-E205 PolarHBondContact O-N 3.11Å; E203-E205 PolarHBondContact O-N 3.41Å; E205-R207 PolarHBondContact O-N 3.16Å; E205-F208 WeakPolarHBondContact O-CB 3.43Å; E205-F208 PolarHBondContact O-N 3.45Å; E205-H209 PolarHBondContact O-CD2 3.07Å; E205-H209 PolarHBondContact O-N 2.8Å; E205-H209 IonicContact OE1-CE1 3.39Å; E205-H209 PolarHBondContact OE1-CE1 2.88Å; E205-H209 IonicContact OE1-ND1 3.04Å; E205-H209 IonicContact OE1-NE2 3.28Å; E205-H209 PolarHBondContact OE1-NE2 3.38Å
206	A	87.6	Confident	90	Very high	54 Å²	54	97 Å²	97	45%	0.446	45%	0.448	S	S	.	.	H	α-helix	trans	-61	-45.9	175.7	0	0	0	0	0	111.2	T202 E203 F208 H209 L210	T202-A206 WeakPolarHBondContact O-CB 3.28Å; T202-A206 PolarHBondContact O-N 3.4Å; E203-A206 PolarHBondContact O-N 3.35Å; A206-F208 VanDerWaalsContact C-N 3.33Å; A206-F208 PolarHBondContact O-N 3.21Å; A206-H209 PolarHBondContact O-N 3.39Å; A206-L210 WeakPolarHBondContact O-CG 3.27Å; A206-L210 PolarHBondContact O-N 3.31Å
207	R	89	Confident	90.3	Very high	165 Å²	165	90.6 Å²	90.6	62%	0.623	42%	0.418	S	S	*	.	H	α-helix	trans	-60.8	-43.5	173.6	-179.2	178.7	168.7	168	2.6	111.5	E203 Q204 E205 H209 L210 E211	E203-R207 WeakPolarHBondContact O-CB 3.48Å; E203-R207 PolarHBondContact O-N 3.48Å; Q204-R207 PolarHBondContact O-N 2.84Å; E205-R207 PolarHBondContact O-N 3.16Å; R207-H209 VanDerWaalsContact C-N 3.33Å; R207-H209 PolarHBondContact O-N 3.41Å; R207-L210 PolarHBondContact O-N 3.04Å; R207-L210 VanDerWaalsContact O-N 3.15Å; R207-E211 HydrophobicContact CG-CG 4.49Å; R207-E211 IonicContact CZ-OE1 2.72Å; R207-E211 IonicContact NE-OE1 2.93Å; R207-E211 PolarHBondContact NE-OE1 3.14Å; R207-E211 IonicContact NH2-OE1 3.71Å; R207-E211 PolarHBondContact NH2-OE1 3.41Å; R207-E211 VanDerWaalsContact NH2-OE1 3.1Å; R207-E211 PolarHBondContact O-N 3Å
208	F	92.9	Very high	90.7	Very high	93 Å²	93	88.2 Å²	88.2	41%	0.408	41%	0.406	S	S	.	.	H	α-helix	trans	-59.2	-43	177	-179.7	-105.6	0	0	0	111.3	Q204 E205 A206 L210 E211 Q212	Q204-F208 VanDerWaalsContact O-CB 3.3Å; Q204-F208 WeakPolarHBondContact O-CB 3.13Å; Q204-F208 PolarHBondContact O-N 3.06Å; E205-F208 WeakPolarHBondContact O-CB 3.43Å; E205-F208 PolarHBondContact O-N 3.45Å; A206-F208 VanDerWaalsContact C-N 3.33Å; A206-F208 PolarHBondContact O-N 3.21Å; F208-L210 VanDerWaalsContact C-N 3.33Å; F208-L210 PolarHBondContact O-N 3.45Å; F208-E211 PolarHBondContact O-N 2.96Å; F208-Q212 HydrophobicContact CD1-CG 3.84Å; F208-Q212 HydrophobicContact CD2-CG 4.26Å; F208-Q212 HydrophobicContact CE1-CG 3.49Å; F208-Q212 VanDerWaalsContact CE1-CG 3.49Å; F208-Q212 HydrophobicContact CE2-CG 3.96Å; F208-Q212 HydrophobicContact CG-CG 4.21Å; F208-Q212 HydrophobicContact CZ-CG 3.56Å; F208-Q212 VanDerWaalsContact CZ-NE2 3.3Å; F208-Q212 VanDerWaalsContact O-CB 3.28Å; F208-Q212 WeakPolarHBondContact O-CB 3.34Å; F208-Q212 WeakPolarHBondContact O-CG 3.2Å; F208-Q212 PolarHBondContact O-N 3.23Å
209	H	87.1	Confident	90.8	Very high	107 Å²	107	87.2 Å²	87.2	50%	0.495	40%	0.4	S	S	.	.	H	α-helix	trans	-62.6	-36.6	175.5	-70.4	-33.4	0	0	0	113.8	E205 A206 R207 A213	E205-H209 PolarHBondContact O-CD2 3.07Å; E205-H209 PolarHBondContact O-N 2.8Å; E205-H209 IonicContact OE1-CE1 3.39Å; E205-H209 PolarHBondContact OE1-CE1 2.88Å; E205-H209 IonicContact OE1-ND1 3.04Å; E205-H209 IonicContact OE1-NE2 3.28Å; E205-H209 PolarHBondContact OE1-NE2 3.38Å; A206-H209 PolarHBondContact O-N 3.39Å; R207-H209 VanDerWaalsContact C-N 3.33Å; R207-H209 PolarHBondContact O-N 3.41Å; H209-A213 PolarHBondContact O-N 3.09Å
210	L	88.9	Confident	91.1	Very high	45 Å²	45	83.3 Å²	83.3	24%	0.236	38%	0.381	C	S	.	.	H	α-helix	trans	-67	-46.6	174.4	-62.7	177	0	0	0	111	A206 R207 F208 Q212 A213 R214 V276 R279 L280	A206-L210 WeakPolarHBondContact O-CG 3.27Å; A206-L210 PolarHBondContact O-N 3.31Å; R207-L210 PolarHBondContact O-N 3.04Å; R207-L210 VanDerWaalsContact O-N 3.15Å; F208-L210 VanDerWaalsContact C-N 3.33Å; F208-L210 PolarHBondContact O-N 3.45Å; L210-Q212 VanDerWaalsContact C-N 3.32Å; L210-Q212 PolarHBondContact O-N 3.14Å; L210-A213 WeakPolarHBondContact O-CB 3.3Å; L210-A213 PolarHBondContact O-N 3.47Å; L210-A213 VanDerWaalsContact O-N 3.12Å; L210-R214 PolarHBondContact O-N 3.49Å; L210-V276 HydrophobicContact CD2-CG1 3.86Å; L210-R279 HydrophobicContact CD2-CB 4.21Å; L210-L280 HydrophobicContact CB-CB 4.32Å; L210-L280 HydrophobicContact CB-CD1 3.85Å
211	E	90.5	Very high	91.3	Very high	83 Å²	83	78.2 Å²	78.2	39%	0.388	36%	0.358	S	S	.	.	H	α-helix	trans	-63.7	-36.3	175.7	-70.6	177.7	-177.8	0	0	111.8	R207 F208 A213 R214 E215	R207-E211 HydrophobicContact CG-CG 4.49Å; R207-E211 IonicContact CZ-OE1 2.72Å; R207-E211 IonicContact NE-OE1 2.93Å; R207-E211 PolarHBondContact NE-OE1 3.14Å; R207-E211 IonicContact NH2-OE1 3.71Å; R207-E211 PolarHBondContact NH2-OE1 3.41Å; R207-E211 VanDerWaalsContact NH2-OE1 3.1Å; R207-E211 PolarHBondContact O-N 3Å; F208-E211 PolarHBondContact O-N 2.96Å; E211-A213 VanDerWaalsContact C-N 3.33Å; E211-A213 PolarHBondContact O-N 2.87Å; E211-R214 WeakPolarHBondContact O-CB 3.31Å; E211-R214 PolarHBondContact O-N 3.14Å; E211-E215 PolarHBondContact O-N 2.93Å
212	Q	92.7	Very high	91.3	Very high	71 Å²	71	76.3 Å²	76.3	33%	0.332	36%	0.355	S	S	.	.	H	α-helix	trans	-65.4	-33.9	172.8	-75.3	-65.9	-58.2	0	0	112.4	F208 L210 R214 R216	F208-Q212 HydrophobicContact CD1-CG 3.84Å; F208-Q212 HydrophobicContact CD2-CG 4.26Å; F208-Q212 HydrophobicContact CE1-CG 3.49Å; F208-Q212 VanDerWaalsContact CE1-CG 3.49Å; F208-Q212 HydrophobicContact CE2-CG 3.96Å; F208-Q212 HydrophobicContact CG-CG 4.21Å; F208-Q212 HydrophobicContact CZ-CG 3.56Å; F208-Q212 VanDerWaalsContact CZ-NE2 3.3Å; F208-Q212 VanDerWaalsContact O-CB 3.28Å; F208-Q212 WeakPolarHBondContact O-CB 3.34Å; F208-Q212 WeakPolarHBondContact O-CG 3.2Å; F208-Q212 PolarHBondContact O-N 3.23Å; L210-Q212 VanDerWaalsContact C-N 3.32Å; L210-Q212 PolarHBondContact O-N 3.14Å; Q212-R214 VanDerWaalsContact C-N 3.34Å; Q212-R216 VanDerWaalsContact O-CB 3.27Å; Q212-R216 WeakPolarHBondContact O-CB 3.34Å; Q212-R216 WeakPolarHBondContact O-CG 3.46Å; Q212-R216 PolarHBondContact O-N 2.87Å; Q212-R216 PolarHBondContact O-NE 3.46Å; Q212-R216 VanDerWaalsContact O-NE 3.13Å
213	A	92.4	Very high	91.4	Very high	7 Å²	7	76.5 Å²	76.5	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-62.2	-46.1	173.2	0	0	0	0	0	110.6	H209 L210 E211 R216 S217 V276 Y277	H209-A213 PolarHBondContact O-N 3.09Å; L210-A213 WeakPolarHBondContact O-CB 3.3Å; L210-A213 PolarHBondContact O-N 3.47Å; L210-A213 VanDerWaalsContact O-N 3.12Å; E211-A213 VanDerWaalsContact C-N 3.33Å; E211-A213 PolarHBondContact O-N 2.87Å; A213-R216 PolarHBondContact O-N 3.49Å; A213-S217 PolarHBondContact O-N 3.3Å; A213-S217 VanDerWaalsContact O-N 3.15Å; A213-S217 PolarHBondContact O-OG 3.31Å; A213-V276 HydrophobicContact CB-CG1 3.73Å; A213-Y277 PolarHBondContact O-OH 2.96Å
214	R	92.1	Very high	91.2	Very high	78 Å²	78	77.8 Å²	77.8	29%	0.294	36%	0.364	S	S	.	.	H	α-helix	trans	-56.9	-52.5	175	-169.4	-179.2	145.9	170.7	-13.2	112.4	L210 E211 Q212 R216 S217 K218 Y237 E243 W245 L280	L210-R214 PolarHBondContact O-N 3.49Å; E211-R214 WeakPolarHBondContact O-CB 3.31Å; E211-R214 PolarHBondContact O-N 3.14Å; Q212-R214 VanDerWaalsContact C-N 3.34Å; R214-R216 PolarHBondContact O-N 3.04Å; R214-S217 PolarHBondContact O-N 3.42Å; R214-K218 PolarHBondContact O-N 3.41Å; R214-K218 VanDerWaalsContact O-N 3.14Å; R214-Y237 HydrophobicContact CG-CE2 4.24Å; R214-E243 IonicContact CZ-OE1 2.71Å; R214-E243 VanDerWaalsContact CZ-OE1 3.23Å; R214-E243 IonicContact CZ-OE2 2.73Å; R214-E243 VanDerWaalsContact CZ-OE2 3.23Å; R214-E243 IonicContact NE-OE2 3.81Å; R214-E243 IonicContact NH1-OE1 3.14Å; R214-E243 PolarHBondContact NH1-OE1 2.94Å; R214-E243 IonicContact NH1-OE2 3.82Å; R214-E243 IonicContact NH2-OE1 3.96Å; R214-E243 PolarHBondContact NH2-OE1 3.24Å; R214-E243 IonicContact NH2-OE2 2.83Å; R214-E243 PolarHBondContact NH2-OE2 2.9Å; R214-W245 HydrophobicContact CB-CH2 4.48Å; R214-W245 HydrophobicContact CG-CH2 3.57Å; R214-W245 HydrophobicContact CG-CZ2 3.23Å; R214-W245 WeakPolarHBondContact O-CH2 3.39Å; R214-L280 HydrophobicContact CB-CD2 3.82Å; R214-L280 HydrophobicContact CG-CD2 4.3Å
215	E	93.4	Very high	91.2	Very high	87 Å²	87	79.6 Å²	79.6	41%	0.407	37%	0.366	S	S	.	.	H	α-helix	trans	-65.3	-40.6	-178.1	-170.5	59.8	-154.8	0	0	112.4	E211 S217 K218 I219	E211-E215 PolarHBondContact O-N 2.93Å; E215-S217 VanDerWaalsContact C-N 3.29Å; E215-S217 PolarHBondContact O-N 3.24Å; E215-K218 WeakPolarHBondContact O-CB 3.46Å; E215-K218 PolarHBondContact O-N 3.16Å; E215-I219 HydrophobicContact CG-CD1 4.13Å; E215-I219 WeakPolarHBondContact O-CG1 3.31Å; E215-I219 PolarHBondContact O-N 2.84Å
216	R	93.8	Very high	91.2	Very high	123 Å²	123	78 Å²	78	46%	0.464	36%	0.364	S	S	.	.	H	α-helix	trans	-61.6	-39.1	177	-75.2	178.9	-54.9	180	7.3	112.1	Q212 A213 R214 I219 R220	Q212-R216 VanDerWaalsContact O-CB 3.27Å; Q212-R216 WeakPolarHBondContact O-CB 3.34Å; Q212-R216 WeakPolarHBondContact O-CG 3.46Å; Q212-R216 PolarHBondContact O-N 2.87Å; Q212-R216 PolarHBondContact O-NE 3.46Å; Q212-R216 VanDerWaalsContact O-NE 3.13Å; A213-R216 PolarHBondContact O-N 3.49Å; R214-R216 PolarHBondContact O-N 3.04Å; R216-I219 PolarHBondContact O-N 3.32Å; R216-R220 VanDerWaalsContact O-CG 3.27Å; R216-R220 WeakPolarHBondContact O-CG 3.29Å; R216-R220 PolarHBondContact O-N 3.03Å
217	S	93.7	Very high	91.4	Very high	3 Å²	3	81.6 Å²	81.6	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-69	-39.2	178.8	-56.7	0	0	0	0	111.7	A213 R214 E215 I219 R220 L221 D230 Y277	A213-S217 PolarHBondContact O-N 3.3Å; A213-S217 VanDerWaalsContact O-N 3.15Å; A213-S217 PolarHBondContact O-OG 3.31Å; R214-S217 PolarHBondContact O-N 3.42Å; E215-S217 VanDerWaalsContact C-N 3.29Å; E215-S217 PolarHBondContact O-N 3.24Å; S217-I219 PolarHBondContact O-N 3.49Å; S217-R220 PolarHBondContact O-N 2.8Å; S217-L221 WeakPolarHBondContact O-CB 3.37Å; S217-L221 PolarHBondContact O-N 3.36Å; S217-L221 VanDerWaalsContact O-N 3.07Å; S217-D230 WeakPolarHBondContact CA-OD1 3.25Å; S217-D230 WeakPolarHBondContact CB-OD1 3.36Å; S217-D230 PolarHBondContact OG-OD1 3.41Å; S217-Y277 WeakPolarHBondContact CB-OH 3.12Å; S217-Y277 PolarHBondContact OG-OH 2.91Å
218	K	92.9	Very high	91.6	Very high	53 Å²	53	74.6 Å²	74.6	23%	0.23	34%	0.343	C	S	.	.	H	α-helix	trans	-56.9	-48.6	170.4	-177.8	175.2	178.7	166.6	0	111.8	R214 E215 L221 Q222 D244 W245	R214-K218 PolarHBondContact O-N 3.41Å; R214-K218 VanDerWaalsContact O-N 3.14Å; E215-K218 WeakPolarHBondContact O-CB 3.46Å; E215-K218 PolarHBondContact O-N 3.16Å; K218-L221 WeakPolarHBondContact O-CB 3.46Å; K218-L221 PolarHBondContact O-N 3.35Å; K218-Q222 WeakPolarHBondContact O-CG 3.48Å; K218-Q222 PolarHBondContact O-N 2.92Å; K218-Q222 VanDerWaalsContact O-N 3.16Å; K218-D244 PolarHBondContact NZ-O 2.91Å; K218-W245 HydrophobicContact CB-CD2 3.93Å; K218-W245 HydrophobicContact CB-CE3 3.89Å; K218-W245 HydrophobicContact CB-CG 4.36Å; K218-W245 HydrophobicContact CB-CZ3 4.31Å; K218-W245 HydrophobicContact CD-CD2 4.43Å; K218-W245 HydrophobicContact CD-CG 4.15Å; K218-W245 HydrophobicContact CG-CB 4.23Å; K218-W245 HydrophobicContact CG-CD2 4.17Å; K218-W245 HydrophobicContact CG-CE3 4.49Å; K218-W245 HydrophobicContact CG-CG 4.07Å
219	I	93.5	Very high	91.6	Very high	73 Å²	73	70.3 Å²	70.3	37%	0.374	33%	0.325	S	S	.	.	H	α-helix	trans	-63.7	-43.3	178.8	-66.3	166.9	0	0	0	111.6	E215 R216 S217 L221 Q222 D223	E215-I219 HydrophobicContact CG-CD1 4.13Å; E215-I219 WeakPolarHBondContact O-CG1 3.31Å; E215-I219 PolarHBondContact O-N 2.84Å; R216-I219 PolarHBondContact O-N 3.32Å; S217-I219 PolarHBondContact O-N 3.49Å; I219-L221 PolarHBondContact O-N 3.15Å; I219-Q222 PolarHBondContact O-N 3.15Å; I219-D223 WeakPolarHBondContact O-CB 3.44Å; I219-D223 PolarHBondContact O-N 3.3Å
220	R	94.5	Very high	91.9	Very high	56 Å²	56	65.2 Å²	65.2	21%	0.211	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-34.8	178.4	-74.4	171.6	-164	147.3	-2	112.6	R216 S217 D223 N224 R225 A226 D230	R216-R220 VanDerWaalsContact O-CG 3.27Å; R216-R220 WeakPolarHBondContact O-CG 3.29Å; R216-R220 PolarHBondContact O-N 3.03Å; S217-R220 PolarHBondContact O-N 2.8Å; R220-D223 PolarHBondContact O-N 3.44Å; R220-N224 PolarHBondContact O-N 3.15Å; R220-R225 CarbonylContact O-C 3.57Å; R220-R225 PolarHBondContact O-N 3.15Å; R220-A226 PolarHBondContact O-N 3.37Å; R220-D230 WeakPolarHBondContact CB-OD2 3.34Å; R220-D230 WeakPolarHBondContact CD-OD2 3.33Å; R220-D230 IonicContact NH1-OD1 3.08Å; R220-D230 PolarHBondContact NH1-OD1 3.31Å; R220-D230 VanDerWaalsContact NH1-OD1 3.14Å
221	L	91.5	Very high	92.1	Very high	8 Å²	8	65 Å²	65	4%	0.042	30%	0.298	C	S	.	.	H	α-helix	trans	-68.5	-43.8	177.9	-165.7	53.6	0	0	0	111.5	S217 K218 I219 D223 N224 A226 A234 V246 Y250	S217-L221 WeakPolarHBondContact O-CB 3.37Å; S217-L221 PolarHBondContact O-N 3.36Å; S217-L221 VanDerWaalsContact O-N 3.07Å; K218-L221 WeakPolarHBondContact O-CB 3.46Å; K218-L221 PolarHBondContact O-N 3.35Å; I219-L221 PolarHBondContact O-N 3.15Å; L221-D223 VanDerWaalsContact C-N 3.34Å; L221-D223 PolarHBondContact O-N 3.39Å; L221-N224 PolarHBondContact O-N 3.21Å; L221-A226 HydrophobicContact CD1-CB 3.76Å; L221-A234 HydrophobicContact CD2-CB 3.37Å; L221-V246 HydrophobicContact CD2-CG2 3.22Å; L221-V246 HydrophobicContact CG-CG1 4.34Å; L221-V246 HydrophobicContact CG-CG2 3.81Å; L221-Y250 HydrophobicContact CD1-CE2 3.99Å
222	Q	89.7	Confident	92.2	Very high	113 Å²	113	61 Å²	61	53%	0.528	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-37.6	173.7	-67.6	179.7	-23.4	0	0	112.6	K218 I219 N224	K218-Q222 WeakPolarHBondContact O-CG 3.48Å; K218-Q222 PolarHBondContact O-N 2.92Å; K218-Q222 VanDerWaalsContact O-N 3.16Å; I219-Q222 PolarHBondContact O-N 3.15Å; Q222-N224 PolarHBondContact O-N 3.02Å
223	D	90.9	Very high	92.2	Very high	80 Å²	80	57.6 Å²	57.6	43%	0.428	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	5.9	179.8	-79.6	-8.5	0	0	0	114	I219 R220 L221 R225	I219-D223 WeakPolarHBondContact O-CB 3.44Å; I219-D223 PolarHBondContact O-N 3.3Å; R220-D223 PolarHBondContact O-N 3.44Å; L221-D223 VanDerWaalsContact C-N 3.34Å; L221-D223 PolarHBondContact O-N 3.39Å; D223-R225 PolarHBondContact O-N 3.41Å; D223-R225 VanDerWaalsContact O-N 3.15Å; D223-R225 IonicContact OD2-CZ 3.66Å; D223-R225 IonicContact OD2-NH2 2.64Å; D223-R225 PolarHBondContact OD2-NH2 3.05Å
224	N	86.6	Confident	92.1	Very high	152 Å²	152	57.3 Å²	57.3	81%	0.813	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	28.8	-174.6	-63.7	-68.3	0	0	0	113.8	R220 L221 Q222	R220-N224 PolarHBondContact O-N 3.15Å; L221-N224 PolarHBondContact O-N 3.21Å; Q222-N224 PolarHBondContact O-N 3.02Å
225	R	90.3	Very high	92.1	Very high	158 Å²	158	53.6 Å²	53.6	60%	0.596	25%	0.248	S	C	*	.			trans	-116.3	32.4	176.4	-68.6	-178.4	-70.3	116.8	-6.6	111	R220 D223	R220-R225 CarbonylContact O-C 3.57Å; R220-R225 PolarHBondContact O-N 3.15Å; D223-R225 PolarHBondContact O-N 3.41Å; D223-R225 VanDerWaalsContact O-N 3.15Å; D223-R225 IonicContact OD2-CZ 3.66Å; D223-R225 IonicContact OD2-NH2 2.64Å; D223-R225 PolarHBondContact OD2-NH2 3.05Å
226	A	90.3	Very high	92	Very high	30 Å²	30	49.5 Å²	49.5	25%	0.248	23%	0.228	C	C	.	.			trans	-64.8	136.1	-177.9	0	0	0	0	0	111.2	R220 L221 D230 H231	R220-A226 PolarHBondContact O-N 3.37Å; L221-A226 HydrophobicContact CD1-CB 3.76Å; A226-D230 WeakPolarHBondContact CA-OD2 3.15Å; A226-D230 HydrophobicContact CB-CB 4.14Å; A226-H231 WeakPolarHBondContact CB-CE1 3.4Å; A226-H231 WeakPolarHBondContact CB-NE2 3.34Å
227	R	92.2	Very high	91.8	Very high	128 Å²	128	43.8 Å²	43.8	48%	0.483	21%	0.207	S	C	.	.			trans	-92.7	168.5	167.3	-63.5	179.8	175.4	-158.7	-8.4	109.5	I229 D230 H231	R227-I229 HydrophobicContact CB-CG2 4.1Å; R227-I229 PolarHBondContact O-N 3.34Å; R227-D230 PolarHBondContact N-OD2 2.96Å; R227-D230 WeakPolarHBondContact O-CB 3.21Å; R227-D230 PolarHBondContact O-N 3.27Å; R227-H231 PolarHBondContact O-CD2 3.19Å; R227-H231 VanDerWaalsContact O-CD2 3.25Å; R227-H231 PolarHBondContact O-N 3.17Å
228	A	92.6	Very high	91.4	Very high	18 Å²	18	43.9 Å²	43.9	15%	0.149	21%	0.207	C	C	.	.	H	α-helix	trans	-52.5	-41.1	174.6	0	0	0	0	0	112.6	D230 H231 L232 L262 L270	A228-D230 VanDerWaalsContact C-N 3.32Å; A228-D230 PolarHBondContact O-N 2.76Å; A228-H231 PolarHBondContact O-N 3.43Å; A228-L232 VanDerWaalsContact O-CG 3.29Å; A228-L232 WeakPolarHBondContact O-CG 3.38Å; A228-L232 PolarHBondContact O-N 2.88Å; A228-L262 HydrophobicContact CB-CD1 4.11Å; A228-L262 HydrophobicContact CB-CD2 3.88Å; A228-L262 HydrophobicContact CB-CG 4.49Å; A228-L270 HydrophobicContact CB-CD1 4.38Å; A228-L270 HydrophobicContact CB-CD2 4.19Å
229	I	93.5	Very high	90.9	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-38	175.9	-172	68.5	0	0	0	112.5	R227 H231 L232 A233 L270 D273 I274 Y277 W289	R227-I229 HydrophobicContact CB-CG2 4.1Å; R227-I229 PolarHBondContact O-N 3.34Å; I229-H231 VanDerWaalsContact C-N 3.31Å; I229-H231 PolarHBondContact O-N 3.41Å; I229-L232 PolarHBondContact O-N 3.18Å; I229-A233 VanDerWaalsContact O-CB 3.25Å; I229-A233 WeakPolarHBondContact O-CB 3.28Å; I229-A233 PolarHBondContact O-N 2.82Å; I229-L270 HydrophobicContact CB-CD1 3.79Å; I229-L270 HydrophobicContact CD1-CD1 4.02Å; I229-D273 HydrophobicContact CB-CB 4.17Å; I229-D273 HydrophobicContact CD1-CB 4.19Å; I229-D273 HydrophobicContact CG1-CB 3.89Å; I229-D273 HydrophobicContact CG2-CB 4.31Å; I229-I274 HydrophobicContact CD1-CG1 3.92Å; I229-Y277 HydrophobicContact CD1-CD2 3.65Å; I229-Y277 HydrophobicContact CD1-CE2 3.92Å; I229-Y277 HydrophobicContact CG1-CD2 3.73Å; I229-Y277 HydrophobicContact CG1-CE2 3.46Å; I229-Y277 VanDerWaalsContact CG1-CE2 3.46Å; I229-W289 HydrophobicContact CD1-CH2 3.9Å; I229-W289 HydrophobicContact CD1-CZ3 3.9Å
230	D	94	Very high	90.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-67.1	-38.6	-177.2	-53.9	-36.6	0	0	0	109.9	S217 R220 A226 R227 A228 A234	S217-D230 WeakPolarHBondContact CA-OD1 3.25Å; S217-D230 WeakPolarHBondContact CB-OD1 3.36Å; S217-D230 PolarHBondContact OG-OD1 3.41Å; R220-D230 WeakPolarHBondContact CB-OD2 3.34Å; R220-D230 WeakPolarHBondContact CD-OD2 3.33Å; R220-D230 IonicContact NH1-OD1 3.08Å; R220-D230 PolarHBondContact NH1-OD1 3.31Å; R220-D230 VanDerWaalsContact NH1-OD1 3.14Å; A226-D230 WeakPolarHBondContact CA-OD2 3.15Å; A226-D230 HydrophobicContact CB-CB 4.14Å; R227-D230 PolarHBondContact N-OD2 2.96Å; R227-D230 WeakPolarHBondContact O-CB 3.21Å; R227-D230 PolarHBondContact O-N 3.27Å; A228-D230 VanDerWaalsContact C-N 3.32Å; A228-D230 PolarHBondContact O-N 2.76Å; D230-A234 VanDerWaalsContact O-CB 3.26Å; D230-A234 WeakPolarHBondContact O-CB 3.34Å; D230-A234 PolarHBondContact O-N 3.3Å
231	H	92.7	Very high	89.9	Confident	39 Å²	39	42.9 Å²	42.9	18%	0.181	21%	0.205	C	C	.	.	H	α-helix	trans	-66.6	-42	173.7	-62.1	-58.2	0	0	0	112.8	A226 R227 A228 I229 A234 Y235 Y250 Y258	A226-H231 WeakPolarHBondContact CB-CE1 3.4Å; A226-H231 WeakPolarHBondContact CB-NE2 3.34Å; R227-H231 PolarHBondContact O-CD2 3.19Å; R227-H231 VanDerWaalsContact O-CD2 3.25Å; R227-H231 PolarHBondContact O-N 3.17Å; A228-H231 PolarHBondContact O-N 3.43Å; I229-H231 VanDerWaalsContact C-N 3.31Å; I229-H231 PolarHBondContact O-N 3.41Å; H231-A234 PolarHBondContact O-N 2.93Å; H231-Y235 WeakPolarHBondContact O-CB 3.47Å; H231-Y235 PolarHBondContact O-N 3.15Å; H231-Y250 PolarHBondContact CE1-OH 2.79Å; H231-Y250 VanDerWaalsContact CE1-OH 3.31Å; H231-Y250 PolarHBondContact ND1-OH 3.1Å; H231-Y258 HydrophobicContact CB-CD1 3.65Å; H231-Y258 HydrophobicContact CB-CD2 4.23Å; H231-Y258 HydrophobicContact CB-CE1 3.52Å; H231-Y258 HydrophobicContact CB-CE2 4.13Å; H231-Y258 HydrophobicContact CB-CG 4.01Å; H231-Y258 AromaticContact CD2-CD1 3.77Å; H231-Y258 AromaticContact CD2-CE1 3.89Å; H231-Y258 AromaticContact CG-CD1 3.82Å; H231-Y258 AromaticContact CG-CE1 3.59Å
232	L	93.4	Very high	89.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.5	-38.7	177.4	-69.2	167.2	0	0	0	112.2	A228 I229 Y235 I236 P255 Y258 L270 F288 W289 I292	A228-L232 VanDerWaalsContact O-CG 3.29Å; A228-L232 WeakPolarHBondContact O-CG 3.38Å; A228-L232 PolarHBondContact O-N 2.88Å; I229-L232 PolarHBondContact O-N 3.18Å; L232-Y235 VanDerWaalsContact O-CB 3.31Å; L232-Y235 WeakPolarHBondContact O-CB 3.46Å; L232-Y235 PolarHBondContact O-N 3.18Å; L232-I236 PolarHBondContact O-N 2.73Å; L232-P255 HydrophobicContact CD2-CB 4.23Å; L232-Y258 HydrophobicContact CD2-CD2 4.24Å; L232-L270 HydrophobicContact CD1-CD1 4.07Å; L232-F288 HydrophobicContact CD2-CE1 4.47Å; L232-F288 HydrophobicContact CD2-CZ 4.01Å; L232-W289 HydrophobicContact CB-CH2 4.11Å; L232-W289 HydrophobicContact CB-CZ3 3.96Å; L232-W289 HydrophobicContact CD1-CZ3 4.48Å; L232-I292 HydrophobicContact CD1-CG2 3.87Å; L232-I292 HydrophobicContact CD2-CD1 3.76Å; L232-I292 HydrophobicContact CD2-CG1 4.2Å
233	A	92.7	Very high	89.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.6	-48.1	173.7	0	0	0	0	0	110.2	I229 Y235 I236 Y237 W245 Y277	I229-A233 VanDerWaalsContact O-CB 3.25Å; I229-A233 WeakPolarHBondContact O-CB 3.28Å; I229-A233 PolarHBondContact O-N 2.82Å; A233-Y235 PolarHBondContact O-N 3.24Å; A233-I236 PolarHBondContact O-N 2.86Å; A233-Y237 HydrophobicContact CB-CD2 4.27Å; A233-Y237 HydrophobicContact CB-CE2 4.36Å; A233-Y237 WeakPolarHBondContact O-CD2 3.15Å; A233-Y237 PolarHBondContact O-N 3.49Å; A233-W245 HydrophobicContact CB-CH2 4.28Å; A233-W245 HydrophobicContact CB-CZ3 4.07Å; A233-Y277 HydrophobicContact CB-CD1 4.32Å; A233-Y277 HydrophobicContact CB-CE1 3.69Å; A233-Y277 HydrophobicContact CB-CE2 4.14Å
234	A	90.6	Very high	88.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.1	-35.4	175.5	0	0	0	0	0	112.4	L221 D230 H231 I236 Y237 C238 W245 V246 F252	L221-A234 HydrophobicContact CD2-CB 3.37Å; D230-A234 VanDerWaalsContact O-CB 3.26Å; D230-A234 WeakPolarHBondContact O-CB 3.34Å; D230-A234 PolarHBondContact O-N 3.3Å; H231-A234 PolarHBondContact O-N 2.93Å; A234-I236 VanDerWaalsContact C-N 3.28Å; A234-I236 PolarHBondContact O-N 3.22Å; A234-Y237 PolarHBondContact O-N 2.96Å; A234-C238 WeakPolarHBondContact O-CB 3.17Å; A234-C238 PolarHBondContact O-N 2.91Å; A234-W245 HydrophobicContact CB-CE3 4.38Å; A234-V246 HydrophobicContact CB-CG2 4.46Å; A234-F252 HydrophobicContact CB-CE1 3.99Å; A234-F252 HydrophobicContact CB-CZ 4.47Å
235	Y	91	Very high	88.7	Confident	1 Å²	1	37.3 Å²	37.3	0%	0.004	19%	0.191	C	C	.	.	I	π-helix	trans	-56.7	-42.5	173.6	-170.8	-87.9	0	0	0	111.8	H231 L232 A233 L239 F252 P255 F288 H380 L383 M391	H231-Y235 WeakPolarHBondContact O-CB 3.47Å; H231-Y235 PolarHBondContact O-N 3.15Å; L232-Y235 VanDerWaalsContact O-CB 3.31Å; L232-Y235 WeakPolarHBondContact O-CB 3.46Å; L232-Y235 PolarHBondContact O-N 3.18Å; A233-Y235 PolarHBondContact O-N 3.24Å; Y235-L239 HydrophobicContact CD2-CD1 3.6Å; Y235-L239 HydrophobicContact CE2-CD1 3.68Å; Y235-L239 HydrophobicContact CG-CD1 4.1Å; Y235-L239 VanDerWaalsContact O-CB 3.23Å; Y235-L239 WeakPolarHBondContact O-CB 3.38Å; Y235-L239 PolarHBondContact O-N 2.83Å; Y235-F252 HydrophobicContact CD2-CD1 4.18Å; Y235-P255 HydrophobicContact CD1-CG 4.38Å; Y235-P255 HydrophobicContact CD2-CG 4.23Å; Y235-P255 HydrophobicContact CE1-CG 3.93Å; Y235-P255 HydrophobicContact CE2-CG 3.76Å; Y235-F288 AromaticContact CD1-CE2 3.64Å; Y235-F288 HydrophobicContact CD1-CE2 3.64Å; Y235-F288 AromaticContact CD1-CZ 3.75Å; Y235-F288 HydrophobicContact CD1-CZ 3.75Å; Y235-F288 HydrophobicContact CE1-CD2 4.43Å; Y235-F288 AromaticContact CE1-CE2 3.72Å; Y235-F288 HydrophobicContact CE1-CE2 3.72Å; Y235-F288 HydrophobicContact CE1-CZ 4.3Å; Y235-F288 HydrophobicContact CG-CZ 4.4Å; Y235-H380 AromaticContact CE2-ND1 3.64Å; Y235-H380 AromaticContact CZ-ND1 3.88Å; Y235-H380 WeakPolarHBondContact OH-CA 3.45Å; Y235-H380 WeakPolarHBondContact OH-CB 3.38Å; Y235-H380 PolarHBondContact OH-ND1 3.36Å; Y235-L383 HydrophobicContact CD1-CD2 4.46Å; Y235-L383 HydrophobicContact CE1-CD2 3.67Å; Y235-L383 HydrophobicContact CE2-CD2 4.24Å; Y235-L383 WeakPolarHBondContact OH-CD2 3.39Å; Y235-M391 HydrophobicContact CE2-CE 4.26Å
236	I	90.7	Very high	88.3	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	I	π-helix	trans	-75.1	-53.5	177	-57.8	176.9	0	0	0	111.1	L232 A233 A234 M240 E241 Y285 F288 W289	L232-I236 PolarHBondContact O-N 2.73Å; A233-I236 PolarHBondContact O-N 2.86Å; A234-I236 VanDerWaalsContact C-N 3.28Å; A234-I236 PolarHBondContact O-N 3.22Å; I236-M240 HydrophobicContact CB-SD 4.39Å; I236-M240 HydrophobicContact CG1-SD 4.18Å; I236-M240 HydrophobicContact CG2-CB 4.28Å; I236-M240 HydrophobicContact CG2-SD 4.13Å; I236-M240 WeakPolarHBondContact O-CA 3.43Å; I236-M240 VanDerWaalsContact O-CB 3.23Å; I236-M240 WeakPolarHBondContact O-CB 3.34Å; I236-M240 PolarHBondContact O-N 3.4Å; I236-E241 PolarHBondContact O-N 2.88Å; I236-Y285 HydrophobicContact CD1-CG 4.37Å; I236-Y285 HydrophobicContact CG2-CD1 4.05Å; I236-Y285 HydrophobicContact CG2-CD2 3.57Å; I236-Y285 HydrophobicContact CG2-CE1 4.07Å; I236-Y285 HydrophobicContact CG2-CE2 3.56Å; I236-Y285 HydrophobicContact CG2-CG 3.79Å; I236-F288 HydrophobicContact CD1-CD1 3.57Å; I236-F288 HydrophobicContact CD1-CE1 3.76Å; I236-F288 HydrophobicContact CD1-CG 4.48Å; I236-F288 HydrophobicContact CG1-CD1 3.96Å; I236-F288 HydrophobicContact CG1-CE1 3.86Å; I236-F288 HydrophobicContact CG1-CZ 4.46Å; I236-W289 HydrophobicContact CD1-CD2 4.25Å; I236-W289 HydrophobicContact CD1-CH2 4.11Å; I236-W289 HydrophobicContact CD1-CZ2 3.27Å; I236-W289 HydrophobicContact CG1-CZ2 4.47Å
237	Y	89.5	Confident	87.8	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.016	19%	0.189	C	C	.	.	I	π-helix	trans	-66.1	-44.4	-172.7	-71.9	-69	0	0	0	112.6	R214 A233 A234 E241 G242 E243 W245 Y277 L280	R214-Y237 HydrophobicContact CG-CE2 4.24Å; A233-Y237 HydrophobicContact CB-CD2 4.27Å; A233-Y237 HydrophobicContact CB-CE2 4.36Å; A233-Y237 WeakPolarHBondContact O-CD2 3.15Å; A233-Y237 PolarHBondContact O-N 3.49Å; A234-Y237 PolarHBondContact O-N 2.96Å; Y237-E241 WeakPolarHBondContact CD1-OE2 3.43Å; Y237-E241 VanDerWaalsContact CE1-OE2 3.3Å; Y237-E241 WeakPolarHBondContact CE1-OE2 3.45Å; Y237-G242 PolarHBondContact O-N 3.2Å; Y237-E243 PolarHBondContact O-N 3.5Å; Y237-W245 HydrophobicContact CD1-CZ2 4.02Å; Y237-W245 AromaticContact CD2-CE2 3.87Å; Y237-W245 AromaticContact CD2-CH2 3.22Å; Y237-W245 HydrophobicContact CD2-CH2 3.22Å; Y237-W245 AromaticContact CD2-CZ2 3.11Å; Y237-W245 HydrophobicContact CD2-CZ2 3.11Å; Y237-W245 HydrophobicContact CD2-CZ3 4.02Å; Y237-W245 HydrophobicContact CE1-CZ2 4.46Å; Y237-W245 AromaticContact CE2-CH2 3.61Å; Y237-W245 HydrophobicContact CE2-CH2 3.61Å; Y237-W245 AromaticContact CE2-CZ2 3.65Å; Y237-W245 HydrophobicContact CE2-CZ2 3.65Å; Y237-W245 AromaticContact CG-CE2 3.72Å; Y237-W245 AromaticContact CG-CH2 3.96Å; Y237-W245 HydrophobicContact CG-CH2 3.96Å; Y237-W245 AromaticContact CG-CZ2 3.35Å; Y237-W245 HydrophobicContact CG-CZ2 3.35Å; Y237-Y277 HydrophobicContact CE2-CD1 4.02Å; Y237-Y277 AromaticContact CE2-CE1 3.73Å; Y237-Y277 HydrophobicContact CE2-CE1 3.73Å; Y237-L280 WeakPolarHBondContact OH-CD2 3.3Å
238	C	86.7	Confident	86.9	Confident	4 Å²	4	34.9 Å²	34.9	3%	0.027	20%	0.196	C	C	.	.	I	π-helix	trans	-74.5	-44.5	179.7	-68.9	0	0	0	0	112.8	A234 G242 E243 F252	A234-C238 WeakPolarHBondContact O-CB 3.17Å; A234-C238 PolarHBondContact O-N 2.91Å; C238-G242 WeakPolarHBondContact O-CA 3.28Å; C238-E243 VanDerWaalsContact CA-O 3.31Å; C238-E243 WeakPolarHBondContact CA-O 3.45Å; C238-E243 PolarHBondContact SG-O 3.39Å; C238-F252 HydrophobicContact CB-CE2 4.22Å; C238-F252 HydrophobicContact CB-CZ 3.67Å
239	L	82.7	Confident	86.1	Confident	10 Å²	10	42.4 Å²	42.4	5%	0.052	23%	0.228	C	C	.	.	I	π-helix	trans	-94.4	-36.3	-168.6	-56.1	170.3	0	0	0	112.7	Y235 F252 L383 N387 R390 M391	Y235-L239 HydrophobicContact CD2-CD1 3.6Å; Y235-L239 HydrophobicContact CE2-CD1 3.68Å; Y235-L239 HydrophobicContact CG-CD1 4.1Å; Y235-L239 VanDerWaalsContact O-CB 3.23Å; Y235-L239 WeakPolarHBondContact O-CB 3.38Å; Y235-L239 PolarHBondContact O-N 2.83Å; L239-F252 HydrophobicContact CD1-CB 4.14Å; L239-F252 HydrophobicContact CD1-CD1 4Å; L239-F252 HydrophobicContact CD1-CD2 3.92Å; L239-F252 HydrophobicContact CD1-CE1 4.39Å; L239-F252 HydrophobicContact CD1-CE2 4.31Å; L239-F252 HydrophobicContact CD1-CG 3.75Å; L239-F252 HydrophobicContact CD2-CD2 3.85Å; L239-F252 HydrophobicContact CD2-CE2 3.86Å; L239-F252 HydrophobicContact CG-CD2 4.09Å; L239-F252 HydrophobicContact CG-CE2 4.03Å; L239-F252 HydrophobicContact CG-CG 4.37Å; L239-F252 HydrophobicContact CG-CZ 4.28Å; L239-L383 HydrophobicContact CB-CD1 3.89Å; L239-L383 HydrophobicContact CB-CD2 3.39Å; L239-L383 HydrophobicContact CB-CG 3.73Å; L239-L383 HydrophobicContact CD1-CD2 3.64Å; L239-L383 HydrophobicContact CD1-CG 4.26Å; L239-L383 HydrophobicContact CG-CD2 4.15Å; L239-L383 WeakPolarHBondContact O-CD1 3.26Å; L239-N387 WeakPolarHBondContact CA-ND2 3.36Å; L239-N387 WeakPolarHBondContact CB-ND2 3.35Å; L239-N387 HydrophobicContact CD2-CB 4.08Å; L239-N387 WeakPolarHBondContact CD2-ND2 3.38Å; L239-N387 PolarHBondContact O-ND2 3.14Å; L239-R390 HydrophobicContact CD2-CB 4.35Å; L239-M391 HydrophobicContact CD1-CE 3.64Å; L239-M391 HydrophobicContact CD1-SD 4.13Å
240	M	82.7	Confident	85.5	Confident	73 Å²	73	44.5 Å²	44.5	36%	0.36	24%	0.236	S	C	.	.	I	π-helix	trans	-92.7	-43	-177.2	-51.6	-176.1	75.9	0	0	112.3	I236 Y285 L383	I236-M240 HydrophobicContact CB-SD 4.39Å; I236-M240 HydrophobicContact CG1-SD 4.18Å; I236-M240 HydrophobicContact CG2-CB 4.28Å; I236-M240 HydrophobicContact CG2-SD 4.13Å; I236-M240 WeakPolarHBondContact O-CA 3.43Å; I236-M240 VanDerWaalsContact O-CB 3.23Å; I236-M240 WeakPolarHBondContact O-CB 3.34Å; I236-M240 PolarHBondContact O-N 3.4Å; M240-Y285 HydrophobicContact CB-CE1 3.9Å; M240-Y285 HydrophobicContact CE-CD1 3.52Å; M240-Y285 HydrophobicContact CE-CE1 3.56Å; M240-Y285 HydrophobicContact SD-CD1 3.73Å; M240-Y285 HydrophobicContact SD-CE1 3.85Å; M240-L383 HydrophobicContact CG-CD2 4.33Å
241	E	84.4	Confident	84.8	Confident	78 Å²	78	49 Å²	49	36%	0.364	26%	0.259	S	S	.	.	I	π-helix	trans	-87.9	-24.3	178	-66.2	-174.7	-173.1	0	0	113.3	I236 Y237 E243 Y285	I236-E241 PolarHBondContact O-N 2.88Å; Y237-E241 WeakPolarHBondContact CD1-OE2 3.43Å; Y237-E241 VanDerWaalsContact CE1-OE2 3.3Å; Y237-E241 WeakPolarHBondContact CE1-OE2 3.45Å; E241-E243 HydrophobicContact CB-CG 4.31Å; E241-Y285 HydrophobicContact CG-CE2 4.23Å; E241-Y285 WeakPolarHBondContact CG-OH 3.14Å; E241-Y285 VanDerWaalsContact OE1-CE2 3.31Å; E241-Y285 WeakPolarHBondContact OE1-CE2 2.8Å
242	G	80.8	Confident	84.5	Confident	57 Å²	57	47.1 Å²	47.1	59%	0.588	25%	0.251	S	S	*	.			trans	81.5	31.9	-179.7	0	0	0	0	0	114	Y237 C238	Y237-G242 PolarHBondContact O-N 3.2Å; C238-G242 WeakPolarHBondContact O-CA 3.28Å
243	E	85.2	Confident	84.1	Confident	50 Å²	50	48.4 Å²	48.4	23%	0.234	26%	0.259	C	S	.	.			trans	-91.7	147.2	177.3	-62.3	-166.8	164.2	0	0	114	R214 Y237 C238 E241 W245	R214-E243 IonicContact CZ-OE1 2.71Å; R214-E243 VanDerWaalsContact CZ-OE1 3.23Å; R214-E243 IonicContact CZ-OE2 2.73Å; R214-E243 VanDerWaalsContact CZ-OE2 3.23Å; R214-E243 IonicContact NE-OE2 3.81Å; R214-E243 IonicContact NH1-OE1 3.14Å; R214-E243 PolarHBondContact NH1-OE1 2.94Å; R214-E243 IonicContact NH1-OE2 3.82Å; R214-E243 IonicContact NH2-OE1 3.96Å; R214-E243 PolarHBondContact NH2-OE1 3.24Å; R214-E243 IonicContact NH2-OE2 2.83Å; R214-E243 PolarHBondContact NH2-OE2 2.9Å; Y237-E243 PolarHBondContact O-N 3.5Å; C238-E243 VanDerWaalsContact CA-O 3.31Å; C238-E243 WeakPolarHBondContact CA-O 3.45Å; C238-E243 PolarHBondContact SG-O 3.39Å; E241-E243 HydrophobicContact CB-CG 4.31Å; E243-W245 PolarHBondContact O-N 2.86Å; E243-W245 VanDerWaalsContact O-N 3.12Å; E243-W245 PolarHBondContact OE2-NE1 3.17Å
244	D	83.3	Confident	83.9	Confident	124 Å²	124	51.8 Å²	51.8	66%	0.663	28%	0.275	S	S	*	.			trans	-88.8	78.8	179.9	-55.8	-34.3	0	0	0	111.4	K218	K218-D244 PolarHBondContact NZ-O 2.91Å
245	W	83.2	Confident	83.8	Confident	5 Å²	5	51.8 Å²	51.8	2%	0.019	28%	0.275	C	S	.	.	S	Bend	trans	-87.7	-33.8	170.7	-72.9	31.4	0	0	0	112.8	R214 K218 A233 A234 Y237 E243	R214-W245 HydrophobicContact CB-CH2 4.48Å; R214-W245 HydrophobicContact CG-CH2 3.57Å; R214-W245 HydrophobicContact CG-CZ2 3.23Å; R214-W245 WeakPolarHBondContact O-CH2 3.39Å; K218-W245 HydrophobicContact CB-CD2 3.93Å; K218-W245 HydrophobicContact CB-CE3 3.89Å; K218-W245 HydrophobicContact CB-CG 4.36Å; K218-W245 HydrophobicContact CB-CZ3 4.31Å; K218-W245 HydrophobicContact CD-CD2 4.43Å; K218-W245 HydrophobicContact CD-CG 4.15Å; K218-W245 HydrophobicContact CG-CB 4.23Å; K218-W245 HydrophobicContact CG-CD2 4.17Å; K218-W245 HydrophobicContact CG-CE3 4.49Å; K218-W245 HydrophobicContact CG-CG 4.07Å; A233-W245 HydrophobicContact CB-CH2 4.28Å; A233-W245 HydrophobicContact CB-CZ3 4.07Å; A234-W245 HydrophobicContact CB-CE3 4.38Å; Y237-W245 HydrophobicContact CD1-CZ2 4.02Å; Y237-W245 AromaticContact CD2-CE2 3.87Å; Y237-W245 AromaticContact CD2-CH2 3.22Å; Y237-W245 HydrophobicContact CD2-CH2 3.22Å; Y237-W245 AromaticContact CD2-CZ2 3.11Å; Y237-W245 HydrophobicContact CD2-CZ2 3.11Å; Y237-W245 HydrophobicContact CD2-CZ3 4.02Å; Y237-W245 HydrophobicContact CE1-CZ2 4.46Å; Y237-W245 AromaticContact CE2-CH2 3.61Å; Y237-W245 HydrophobicContact CE2-CH2 3.61Å; Y237-W245 AromaticContact CE2-CZ2 3.65Å; Y237-W245 HydrophobicContact CE2-CZ2 3.65Å; Y237-W245 AromaticContact CG-CE2 3.72Å; Y237-W245 AromaticContact CG-CH2 3.96Å; Y237-W245 HydrophobicContact CG-CH2 3.96Å; Y237-W245 AromaticContact CG-CZ2 3.35Å; Y237-W245 HydrophobicContact CG-CZ2 3.35Å; E243-W245 PolarHBondContact O-N 2.86Å; E243-W245 VanDerWaalsContact O-N 3.12Å; E243-W245 PolarHBondContact OE2-NE1 3.17Å
246	V	81.3	Confident	83.7	Confident	19 Å²	19	52.3 Å²	52.3	12%	0.115	28%	0.278	C	S	.	.	S	Bend	trans	-131.4	152.1	-175.9	-144.2	0	0	0	0	109.7	L221 A234 Y250 R390	L221-V246 HydrophobicContact CD2-CG2 3.22Å; L221-V246 HydrophobicContact CG-CG1 4.34Å; L221-V246 HydrophobicContact CG-CG2 3.81Å; A234-V246 HydrophobicContact CB-CG2 4.46Å; V246-Y250 HydrophobicContact CB-CD1 4.37Å; V246-Y250 HydrophobicContact CB-CD2 4.38Å; V246-Y250 HydrophobicContact CB-CG 3.91Å; V246-Y250 VanDerWaalsContact CG1-CB 3.41Å; V246-Y250 HydrophobicContact CG1-CD1 4.31Å; V246-Y250 HydrophobicContact CG1-CD2 3.48Å; V246-Y250 VanDerWaalsContact CG1-CD2 3.48Å; V246-Y250 HydrophobicContact CG1-CE2 4.32Å; V246-Y250 HydrophobicContact CG1-CG 3.46Å; V246-Y250 VanDerWaalsContact CG1-CG 3.46Å; V246-Y250 HydrophobicContact CG2-CD1 4.31Å; V246-Y250 HydrophobicContact CG2-CG 4.25Å; V246-R390 PolarHBondContact O-NH2 2.76Å
247	D	80.2	Confident	83.6	Confident	128 Å²	128	54.2 Å²	54.2	68%	0.684	29%	0.29	S	S	*	.			trans	-55.2	152.7	174.6	-58.3	-32.9	0	0	0	111.2	E249 Y250	D247-E249 PolarHBondContact O-N 3.29Å; D247-E249 VanDerWaalsContact O-N 3.14Å; D247-Y250 WeakPolarHBondContact O-CB 3.3Å; D247-Y250 PolarHBondContact O-N 3.37Å
248	D	73.4	Confident	83.7	Confident	118 Å²	118	55.5 Å²	55.5	63%	0.631	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.2	-178.2	-66.6	-32.6	0	0	0	112.9	Y250	D248-Y250 PolarHBondContact O-N 3.04Å
249	E	75.2	Confident	83.8	Confident	176 Å²	176	55.4 Å²	55.4	82%	0.822	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-11.1	174.7	-63.6	172.9	-173	0	0	113.1	D247 L251	D247-E249 PolarHBondContact O-N 3.29Å; D247-E249 VanDerWaalsContact O-N 3.14Å; E249-L251 PolarHBondContact O-N 2.9Å
250	Y	80.8	Confident	84	Confident	49 Å²	49	60.2 Å²	60.2	19%	0.192	32%	0.316	C	S	.	.			trans	-70.5	122.7	179.4	-173.6	-89.5	0	0	0	111.2	L221 H231 V246 D247 D248 F252	L221-Y250 HydrophobicContact CD1-CE2 3.99Å; H231-Y250 PolarHBondContact CE1-OH 2.79Å; H231-Y250 VanDerWaalsContact CE1-OH 3.31Å; H231-Y250 PolarHBondContact ND1-OH 3.1Å; V246-Y250 HydrophobicContact CB-CD1 4.37Å; V246-Y250 HydrophobicContact CB-CD2 4.38Å; V246-Y250 HydrophobicContact CB-CG 3.91Å; V246-Y250 VanDerWaalsContact CG1-CB 3.41Å; V246-Y250 HydrophobicContact CG1-CD1 4.31Å; V246-Y250 HydrophobicContact CG1-CD2 3.48Å; V246-Y250 VanDerWaalsContact CG1-CD2 3.48Å; V246-Y250 HydrophobicContact CG1-CE2 4.32Å; V246-Y250 HydrophobicContact CG1-CG 3.46Å; V246-Y250 VanDerWaalsContact CG1-CG 3.46Å; V246-Y250 HydrophobicContact CG2-CD1 4.31Å; V246-Y250 HydrophobicContact CG2-CG 4.25Å; D247-Y250 WeakPolarHBondContact O-CB 3.3Å; D247-Y250 PolarHBondContact O-N 3.37Å; D248-Y250 PolarHBondContact O-N 3.04Å; Y250-F252 HydrophobicContact CD1-CD1 4.17Å; Y250-F252 AromaticContact CD1-CD2 3.89Å; Y250-F252 HydrophobicContact CD1-CD2 3.89Å; Y250-F252 AromaticContact CD1-CE1 3.91Å; Y250-F252 HydrophobicContact CD1-CE1 3.91Å; Y250-F252 AromaticContact CD1-CE2 3.64Å; Y250-F252 HydrophobicContact CD1-CE2 3.64Å; Y250-F252 HydrophobicContact CD1-CG 4.15Å; Y250-F252 AromaticContact CD1-CZ 3.64Å; Y250-F252 HydrophobicContact CD1-CZ 3.64Å; Y250-F252 AromaticContact CE1-CD1 3.72Å; Y250-F252 HydrophobicContact CE1-CD1 3.72Å; Y250-F252 HydrophobicContact CE1-CD2 4.25Å; Y250-F252 AromaticContact CE1-CE1 3.63Å; Y250-F252 HydrophobicContact CE1-CE1 3.63Å; Y250-F252 HydrophobicContact CE1-CE2 4.18Å; Y250-F252 HydrophobicContact CE1-CG 4.03Å; Y250-F252 AromaticContact CE1-CZ 3.87Å; Y250-F252 HydrophobicContact CE1-CZ 3.87Å
251	L	80.3	Confident	84.2	Confident	94 Å²	94	63.9 Å²	63.9	49%	0.492	34%	0.337	S	S	.	.			trans	-100.8	111.9	-171.7	-81.5	158.7	0	0	0	110.2	E249 I392	E249-L251 PolarHBondContact O-N 2.9Å; L251-I392 HydrophobicContact CB-CD1 3.83Å; L251-I392 HydrophobicContact CB-CG1 3.54Å; L251-I392 HydrophobicContact CD2-CG1 3.81Å; L251-I392 HydrophobicContact CG-CG1 4.14Å
252	F	85.7	Confident	84.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-80.8	127.5	178.6	-67.9	-90.1	0	0	0	111.1	A234 Y235 C238 L239 Y250 R390 M391 I392	A234-F252 HydrophobicContact CB-CE1 3.99Å; A234-F252 HydrophobicContact CB-CZ 4.47Å; Y235-F252 HydrophobicContact CD2-CD1 4.18Å; C238-F252 HydrophobicContact CB-CE2 4.22Å; C238-F252 HydrophobicContact CB-CZ 3.67Å; L239-F252 HydrophobicContact CD1-CB 4.14Å; L239-F252 HydrophobicContact CD1-CD1 4Å; L239-F252 HydrophobicContact CD1-CD2 3.92Å; L239-F252 HydrophobicContact CD1-CE1 4.39Å; L239-F252 HydrophobicContact CD1-CE2 4.31Å; L239-F252 HydrophobicContact CD1-CG 3.75Å; L239-F252 HydrophobicContact CD2-CD2 3.85Å; L239-F252 HydrophobicContact CD2-CE2 3.86Å; L239-F252 HydrophobicContact CG-CD2 4.09Å; L239-F252 HydrophobicContact CG-CE2 4.03Å; L239-F252 HydrophobicContact CG-CG 4.37Å; L239-F252 HydrophobicContact CG-CZ 4.28Å; Y250-F252 HydrophobicContact CD1-CD1 4.17Å; Y250-F252 AromaticContact CD1-CD2 3.89Å; Y250-F252 HydrophobicContact CD1-CD2 3.89Å; Y250-F252 AromaticContact CD1-CE1 3.91Å; Y250-F252 HydrophobicContact CD1-CE1 3.91Å; Y250-F252 AromaticContact CD1-CE2 3.64Å; Y250-F252 HydrophobicContact CD1-CE2 3.64Å; Y250-F252 HydrophobicContact CD1-CG 4.15Å; Y250-F252 AromaticContact CD1-CZ 3.64Å; Y250-F252 HydrophobicContact CD1-CZ 3.64Å; Y250-F252 AromaticContact CE1-CD1 3.72Å; Y250-F252 HydrophobicContact CE1-CD1 3.72Å; Y250-F252 HydrophobicContact CE1-CD2 4.25Å; Y250-F252 AromaticContact CE1-CE1 3.63Å; Y250-F252 HydrophobicContact CE1-CE1 3.63Å; Y250-F252 HydrophobicContact CE1-CE2 4.18Å; Y250-F252 HydrophobicContact CE1-CG 4.03Å; Y250-F252 AromaticContact CE1-CZ 3.87Å; Y250-F252 HydrophobicContact CE1-CZ 3.87Å; F252-R390 HydrophobicContact CD2-CB 4.37Å; F252-R390 WeakPolarHBondContact CD2-O 3.41Å; F252-R390 PolarHBondContact N-O 3.15Å; F252-M391 HydrophobicContact CB-SD 3.77Å; F252-I392 PolarHBondContact O-N 2.95Å; F252-I392 VanDerWaalsContact O-N 3.16Å
253	S	85.7	Confident	84.9	Confident	26 Å²	26	61.2 Å²	61.2	18%	0.182	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-86.5	170	165.4	66.6	0	0	0	0	111.9	T257 Y258	S253-T257 WeakPolarHBondContact CB-OG1 3.29Å; S253-T257 PolarHBondContact OG-OG1 2.97Å; S253-Y258 PolarHBondContact N-OH 2.71Å; S253-Y258 VanDerWaalsContact N-OH 3.15Å; S253-Y258 WeakPolarHBondContact OG-CE1 3.49Å; S253-Y258 WeakPolarHBondContact OG-CE2 3.28Å; S253-Y258 PolarHBondContact OG-OH 2.72Å; S253-Y258 VanDerWaalsContact OG-OH 3.12Å
254	E	88.7	Confident	85.1	Confident	72 Å²	72	61.3 Å²	61.3	34%	0.336	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-61.1	138	179.4	-59.3	178.4	168.2	0	0	111.2	Q256 T257 L377	E254-Q256 VanDerWaalsContact C-N 3.27Å; E254-Q256 PolarHBondContact O-N 3.3Å; E254-Q256 VanDerWaalsContact O-N 3.1Å; E254-Q256 PolarHBondContact OE2-NE2 2.98Å; E254-T257 HydrophobicContact CB-CG2 4.02Å; E254-T257 WeakPolarHBondContact O-CB 3.47Å; E254-T257 PolarHBondContact O-N 3.45Å; E254-T257 PolarHBondContact O-OG1 3.35Å; E254-L377 HydrophobicContact CG-CD2 4.27Å; E254-L377 WeakPolarHBondContact OE2-CD2 3.35Å
255	P	88.7	Confident	85.5	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-54.9	-36.3	-171	-28.7	35.2	0	0	0	115.3	L232 Y235 T257 F288 I292 L376	L232-P255 HydrophobicContact CD2-CB 4.23Å; Y235-P255 HydrophobicContact CD1-CG 4.38Å; Y235-P255 HydrophobicContact CD2-CG 4.23Å; Y235-P255 HydrophobicContact CE1-CG 3.93Å; Y235-P255 HydrophobicContact CE2-CG 3.76Å; P255-T257 VanDerWaalsContact C-N 3.31Å; P255-T257 PolarHBondContact O-N 3.32Å; P255-F288 HydrophobicContact CB-CE2 3.9Å; P255-F288 HydrophobicContact CB-CZ 4.15Å; P255-F288 HydrophobicContact CG-CE2 3.88Å; P255-F288 HydrophobicContact CG-CZ 4.45Å; P255-I292 HydrophobicContact CB-CD1 3.8Å; P255-L376 HydrophobicContact CB-CD2 4.17Å; P255-L376 HydrophobicContact CG-CD2 4.48Å
256	Q	87.6	Confident	86	Confident	12 Å²	12	62.3 Å²	62.3	6%	0.056	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-70.9	-24.3	-179.6	69	-78.9	1.2	0	0	113.6	E254 Y258 C259 V295 V373	E254-Q256 VanDerWaalsContact C-N 3.27Å; E254-Q256 PolarHBondContact O-N 3.3Å; E254-Q256 VanDerWaalsContact O-N 3.1Å; E254-Q256 PolarHBondContact OE2-NE2 2.98Å; Q256-Y258 PolarHBondContact O-N 3.13Å; Q256-C259 WeakPolarHBondContact O-CB 3.26Å; Q256-C259 PolarHBondContact O-N 3.34Å; Q256-V295 HydrophobicContact CB-CG1 4.28Å; Q256-V373 HydrophobicContact CB-CG2 4.48Å; Q256-V373 HydrophobicContact CG-CG1 4.26Å
257	T	89.6	Confident	86.5	Confident	40 Å²	40	61.5 Å²	61.5	25%	0.245	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-65.9	-28.3	-178.6	61.8	0	0	0	0	112.3	S253 E254 P255 C259 E260	S253-T257 WeakPolarHBondContact CB-OG1 3.29Å; S253-T257 PolarHBondContact OG-OG1 2.97Å; E254-T257 HydrophobicContact CB-CG2 4.02Å; E254-T257 WeakPolarHBondContact O-CB 3.47Å; E254-T257 PolarHBondContact O-N 3.45Å; E254-T257 PolarHBondContact O-OG1 3.35Å; P255-T257 VanDerWaalsContact C-N 3.31Å; P255-T257 PolarHBondContact O-N 3.32Å; T257-C259 PolarHBondContact O-N 2.92Å; T257-E260 PolarHBondContact O-N 3.38Å
258	Y	91	Very high	87.1	Confident	30 Å²	30	59.7 Å²	59.7	12%	0.118	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-68.5	-12	174.7	-59.2	-67.6	0	0	0	113.1	H231 L232 S253 Q256 L262	H231-Y258 HydrophobicContact CB-CD1 3.65Å; H231-Y258 HydrophobicContact CB-CD2 4.23Å; H231-Y258 HydrophobicContact CB-CE1 3.52Å; H231-Y258 HydrophobicContact CB-CE2 4.13Å; H231-Y258 HydrophobicContact CB-CG 4.01Å; H231-Y258 AromaticContact CD2-CD1 3.77Å; H231-Y258 AromaticContact CD2-CE1 3.89Å; H231-Y258 AromaticContact CG-CD1 3.82Å; H231-Y258 AromaticContact CG-CE1 3.59Å; L232-Y258 HydrophobicContact CD2-CD2 4.24Å; S253-Y258 PolarHBondContact N-OH 2.71Å; S253-Y258 VanDerWaalsContact N-OH 3.15Å; S253-Y258 WeakPolarHBondContact OG-CE1 3.49Å; S253-Y258 WeakPolarHBondContact OG-CE2 3.28Å; S253-Y258 PolarHBondContact OG-OH 2.72Å; S253-Y258 VanDerWaalsContact OG-OH 3.12Å; Q256-Y258 PolarHBondContact O-N 3.13Å; Y258-L262 WeakPolarHBondContact O-CD1 3.4Å
259	C	89.9	Confident	88.1	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.014	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-99.5	-18.3	-179.5	-60.6	0	0	0	0	113.5	Q256 T257 N261 V295 V296 H299	Q256-C259 WeakPolarHBondContact O-CB 3.26Å; Q256-C259 PolarHBondContact O-N 3.34Å; T257-C259 PolarHBondContact O-N 2.92Å; C259-N261 PolarHBondContact O-N 2.71Å; C259-V295 HydrophobicContact CB-CG1 4.01Å; C259-V296 HydrophobicContact CB-CG2 4.32Å; C259-V296 VanDerWaalsContact SG-CG2 3.55Å; C259-H299 PolarHBondContact O-CD2 3.13Å; C259-H299 PolarHBondContact O-NE2 3Å
260	E	86	Confident	89	Confident	112 Å²	112	49 Å²	49	52%	0.523	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-22.5	-167.4	-68.2	176.4	179.3	0	0	115	T257 H299	T257-E260 PolarHBondContact O-N 3.38Å; E260-H299 PolarHBondContact O-CE1 2.85Å
261	N	86.5	Confident	89.7	Confident	150 Å²	150	48 Å²	48	80%	0.802	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	22.2	-174	-63.9	-57.2	0	0	0	113.4	C259	C259-N261 PolarHBondContact O-N 2.71Å
262	L	90.6	Very high	90.3	Very high	26 Å²	26	48.3 Å²	48.3	14%	0.136	26%	0.258	C	S	.	.			trans	-84.2	143.3	-179.5	-90.2	62	0	0	0	111.8	A228 Y258 D266 L270 H299	A228-L262 HydrophobicContact CB-CD1 4.11Å; A228-L262 HydrophobicContact CB-CD2 3.88Å; A228-L262 HydrophobicContact CB-CG 4.49Å; Y258-L262 WeakPolarHBondContact O-CD1 3.4Å; L262-D266 HydrophobicContact CB-CB 4.19Å; L262-D266 HydrophobicContact CD2-CB 4.22Å; L262-D266 HydrophobicContact CG-CB 4.01Å; L262-L270 HydrophobicContact CD2-CB 4.32Å; L262-L270 HydrophobicContact CD2-CD2 3.58Å; L262-H299 PolarHBondContact O-NE2 3.31Å; L262-H299 VanDerWaalsContact O-NE2 3.09Å
263	S	90.4	Very high	90.7	Very high	52 Å²	52	50.7 Å²	50.7	36%	0.364	27%	0.27	S	S	.	.			trans	-72	162.9	169	79.1	0	0	0	0	111.1	S265 D266 C267	S263-S265 VanDerWaalsContact C-N 3.25Å; S263-S265 PolarHBondContact O-N 2.76Å; S263-D266 WeakPolarHBondContact CB-OD2 3.33Å; S263-D266 PolarHBondContact N-OD2 3.36Å; S263-D266 PolarHBondContact O-N 2.71Å; S263-D266 VanDerWaalsContact O-N 3.1Å; S263-D266 PolarHBondContact OG-N 3.11Å; S263-D266 PolarHBondContact OG-OD2 3.01Å; S263-C267 PolarHBondContact O-N 3Å; S263-C267 PolarHBondContact O-SG 3.18Å
264	L	89.9	Confident	91.2	Very high	53 Å²	53	49.4 Å²	49.4	28%	0.277	26%	0.262	S	S	.	.	H	α-helix	trans	-56.1	-40.3	178.2	-172.4	72.1	0	0	0	112.4	C267 E268 R300 A304 L309	L264-C267 PolarHBondContact O-N 3Å; L264-E268 PolarHBondContact O-N 3.05Å; L264-R300 HydrophobicContact CD1-CG 3.48Å; L264-R300 VanDerWaalsContact CD1-CG 3.48Å; L264-A304 HydrophobicContact CD1-CB 4.15Å; L264-L309 HydrophobicContact CD2-CD2 4.13Å
265	S	91	Very high	91.4	Very high	69 Å²	69	49.1 Å²	49.1	48%	0.483	26%	0.262	S	S	.	.	H	α-helix	trans	-67.7	-42.7	177.1	-169.1	0	0	0	0	111.4	S263 C267 E268 D269	S263-S265 VanDerWaalsContact C-N 3.25Å; S263-S265 PolarHBondContact O-N 2.76Å; S265-C267 VanDerWaalsContact C-N 3.26Å; S265-C267 PolarHBondContact O-N 3.46Å; S265-E268 PolarHBondContact O-N 3.49Å; S265-E268 VanDerWaalsContact O-N 3.14Å; S265-D269 PolarHBondContact O-N 3.44Å
266	D	93.3	Very high	91.6	Very high	81 Å²	81	51.3 Å²	51.3	43%	0.433	28%	0.275	S	S	.	.	H	α-helix	trans	-66.7	-30.6	179.8	-59.3	-44	0	0	0	111.6	L262 S263 L270	L262-D266 HydrophobicContact CB-CB 4.19Å; L262-D266 HydrophobicContact CD2-CB 4.22Å; L262-D266 HydrophobicContact CG-CB 4.01Å; S263-D266 WeakPolarHBondContact CB-OD2 3.33Å; S263-D266 PolarHBondContact N-OD2 3.36Å; S263-D266 PolarHBondContact O-N 2.71Å; S263-D266 VanDerWaalsContact O-N 3.1Å; S263-D266 PolarHBondContact OG-N 3.11Å; S263-D266 PolarHBondContact OG-OD2 3.01Å; D266-L270 WeakPolarHBondContact O-CB 3.32Å; D266-L270 PolarHBondContact O-N 3.36Å
267	C	91.8	Very high	91.8	Very high	1 Å²	1	51 Å²	51	1%	0.007	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-38.8	172.3	-66.1	0	0	0	0	112.6	S263 L264 S265 L270 V271 V296 H299 R300	S263-C267 PolarHBondContact O-N 3Å; S263-C267 PolarHBondContact O-SG 3.18Å; L264-C267 PolarHBondContact O-N 3Å; S265-C267 VanDerWaalsContact C-N 3.26Å; S265-C267 PolarHBondContact O-N 3.46Å; C267-L270 PolarHBondContact O-N 3.2Å; C267-V271 WeakPolarHBondContact O-CG2 3.24Å; C267-V271 PolarHBondContact O-N 2.82Å; C267-V271 VanDerWaalsContact O-N 3.09Å; C267-V296 HydrophobicContact CB-CG1 4.13Å; C267-H299 VanDerWaalsContact SG-CD2 3.6Å; C267-R300 HydrophobicContact CB-CB 3.99Å; C267-R300 HydrophobicContact CB-CG 3.95Å
268	E	92.4	Very high	91.9	Very high	90 Å²	90	51 Å²	51	42%	0.421	27%	0.27	S	S	.	.	H	α-helix	trans	-70.6	-44	178.4	-68.1	-176.9	161.5	0	0	110.9	L264 S265 L270 V271 E272 R300	L264-E268 PolarHBondContact O-N 3.05Å; S265-E268 PolarHBondContact O-N 3.49Å; S265-E268 VanDerWaalsContact O-N 3.14Å; E268-L270 VanDerWaalsContact C-N 3.3Å; E268-L270 PolarHBondContact O-N 2.95Å; E268-V271 PolarHBondContact O-N 3.39Å; E268-E272 PolarHBondContact O-N 3.48Å; E268-E272 VanDerWaalsContact O-N 3.14Å; E268-R300 IonicContact OE1-NH1 3.54Å; E268-R300 PolarHBondContact OE1-NH1 2.99Å
269	D	94.3	Very high	91.9	Very high	65 Å²	65	58.1 Å²	58.1	35%	0.348	30%	0.297	S	S	.	.	H	α-helix	trans	-57.2	-44	171.5	-76.2	4.6	0	0	0	111	S265 V271 E272 D273	S265-D269 PolarHBondContact O-N 3.44Å; D269-V271 PolarHBondContact O-N 2.85Å; D269-E272 PolarHBondContact O-N 3.07Å; D269-D273 WeakPolarHBondContact O-CB 3.31Å; D269-D273 PolarHBondContact O-N 2.83Å
270	L	95	Very high	91.9	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.026	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-38.6	179	179.7	59.1	0	0	0	112.4	A228 I229 L232 L262 D266 C267 E268 D273 I274 V296	A228-L270 HydrophobicContact CB-CD1 4.38Å; A228-L270 HydrophobicContact CB-CD2 4.19Å; I229-L270 HydrophobicContact CB-CD1 3.79Å; I229-L270 HydrophobicContact CD1-CD1 4.02Å; L232-L270 HydrophobicContact CD1-CD1 4.07Å; L262-L270 HydrophobicContact CD2-CB 4.32Å; L262-L270 HydrophobicContact CD2-CD2 3.58Å; D266-L270 WeakPolarHBondContact O-CB 3.32Å; D266-L270 PolarHBondContact O-N 3.36Å; C267-L270 PolarHBondContact O-N 3.2Å; E268-L270 VanDerWaalsContact C-N 3.3Å; E268-L270 PolarHBondContact O-N 2.95Å; L270-D273 PolarHBondContact O-N 2.67Å; L270-I274 HydrophobicContact CD1-CD1 4.06Å; L270-I274 HydrophobicContact CD1-CG1 4.1Å; L270-I274 HydrophobicContact CG-CD1 3.89Å; L270-I274 HydrophobicContact CG-CG1 4.4Å; L270-I274 WeakPolarHBondContact O-CB 3.39Å; L270-I274 WeakPolarHBondContact O-CD1 3.17Å; L270-I274 WeakPolarHBondContact O-CG1 3.49Å; L270-I274 PolarHBondContact O-N 3.49Å; L270-V296 HydrophobicContact CD2-CG1 4.2Å; L270-V296 HydrophobicContact CD2-CG2 3.45Å; L270-V296 VanDerWaalsContact CD2-CG2 3.45Å; L270-V296 HydrophobicContact CG-CG2 4.19Å
271	V	94.8	Very high	91.8	Very high	29 Å²	29	55.4 Å²	55.4	18%	0.176	29%	0.285	C	S	.	.	H	α-helix	trans	-64.5	-45.9	176.1	171.1	0	0	0	0	111	C267 E268 D269 D273 I274 D275 L293 V296	C267-V271 WeakPolarHBondContact O-CG2 3.24Å; C267-V271 PolarHBondContact O-N 2.82Å; C267-V271 VanDerWaalsContact O-N 3.09Å; E268-V271 PolarHBondContact O-N 3.39Å; D269-V271 PolarHBondContact O-N 2.85Å; V271-D273 VanDerWaalsContact C-N 3.34Å; V271-D273 PolarHBondContact O-N 2.74Å; V271-I274 PolarHBondContact O-N 3.03Å; V271-D275 PolarHBondContact O-N 3.12Å; V271-L293 HydrophobicContact CB-CD2 4.35Å; V271-L293 HydrophobicContact CG1-CD2 4.07Å; V271-L293 HydrophobicContact CG2-CD2 4.07Å; V271-V296 HydrophobicContact CG2-CG1 3.8Å
272	E	94.5	Very high	91.7	Very high	100 Å²	100	57 Å²	57	47%	0.467	29%	0.288	S	S	.	.	H	α-helix	trans	-63.3	-40.8	177.1	-67.8	-170.7	-178.8	0	0	111.4	E268 D269 D275 V276 R523	E268-E272 PolarHBondContact O-N 3.48Å; E268-E272 VanDerWaalsContact O-N 3.14Å; D269-E272 PolarHBondContact O-N 3.07Å; E272-D275 PolarHBondContact O-N 3.24Å; E272-V276 PolarHBondContact O-N 3.29Å; E272-R523 IonicContact OE1-CZ 2.61Å; E272-R523 IonicContact OE1-NH1 3.23Å; E272-R523 PolarHBondContact OE1-NH1 2.94Å; E272-R523 IonicContact OE1-NH2 3.1Å; E272-R523 IonicContact OE2-NH1 3.69Å; E272-R523 PolarHBondContact OE2-NH1 3.45Å
273	D	94.2	Very high	91.5	Very high	49 Å²	49	57.4 Å²	57.4	26%	0.262	30%	0.298	S	S	.	.	H	α-helix	trans	-68.1	-38	178.7	-79	-23.5	0	0	0	112.3	I229 D269 L270 V271 D275 V276 Y277	I229-D273 HydrophobicContact CB-CB 4.17Å; I229-D273 HydrophobicContact CD1-CB 4.19Å; I229-D273 HydrophobicContact CG1-CB 3.89Å; I229-D273 HydrophobicContact CG2-CB 4.31Å; D269-D273 WeakPolarHBondContact O-CB 3.31Å; D269-D273 PolarHBondContact O-N 2.83Å; L270-D273 PolarHBondContact O-N 2.67Å; V271-D273 VanDerWaalsContact C-N 3.34Å; V271-D273 PolarHBondContact O-N 2.74Å; D273-D275 VanDerWaalsContact C-N 3.29Å; D273-D275 PolarHBondContact O-N 2.91Å; D273-V276 WeakPolarHBondContact O-CB 3.28Å; D273-V276 PolarHBondContact O-N 3.25Å; D273-V276 VanDerWaalsContact O-N 3.15Å; D273-Y277 WeakPolarHBondContact O-CD2 3.46Å; D273-Y277 PolarHBondContact O-N 3.05Å
274	I	94.7	Very high	91.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60	-39.7	174.7	-72.9	164.5	0	0	0	111	I229 L270 V271 V276 Y277 K278 W289 I292 L293	I229-I274 HydrophobicContact CD1-CG1 3.92Å; L270-I274 HydrophobicContact CD1-CD1 4.06Å; L270-I274 HydrophobicContact CD1-CG1 4.1Å; L270-I274 HydrophobicContact CG-CD1 3.89Å; L270-I274 HydrophobicContact CG-CG1 4.4Å; L270-I274 WeakPolarHBondContact O-CB 3.39Å; L270-I274 WeakPolarHBondContact O-CD1 3.17Å; L270-I274 WeakPolarHBondContact O-CG1 3.49Å; L270-I274 PolarHBondContact O-N 3.49Å; V271-I274 PolarHBondContact O-N 3.03Å; I274-V276 VanDerWaalsContact C-N 3.25Å; I274-V276 PolarHBondContact O-N 3.36Å; I274-Y277 PolarHBondContact O-N 3.22Å; I274-Y277 VanDerWaalsContact O-N 3.15Å; I274-K278 HydrophobicContact CG2-CD 4.31Å; I274-K278 HydrophobicContact CG2-CG 4.34Å; I274-K278 PolarHBondContact O-N 3.09Å; I274-W289 HydrophobicContact CB-CE3 4.23Å; I274-W289 HydrophobicContact CD1-CE3 4.42Å; I274-W289 HydrophobicContact CG1-CE3 3.78Å; I274-W289 HydrophobicContact CG1-CZ3 3.8Å; I274-W289 HydrophobicContact CG2-CB 3.99Å; I274-W289 HydrophobicContact CG2-CD2 4.02Å; I274-W289 HydrophobicContact CG2-CE3 3.64Å; I274-W289 HydrophobicContact CG2-CG 4.21Å; I274-W289 HydrophobicContact CG2-CZ3 4.41Å; I274-I292 HydrophobicContact CD1-CG2 3.7Å; I274-L293 HydrophobicContact CB-CD2 4.19Å; I274-L293 HydrophobicContact CD1-CD2 3.82Å; I274-L293 HydrophobicContact CD1-CG 4.24Å; I274-L293 HydrophobicContact CG2-CD1 4.09Å; I274-L293 HydrophobicContact CG2-CD2 3.98Å; I274-L293 HydrophobicContact CG2-CG 3.92Å
275	D	93.1	Very high	91.3	Very high	66 Å²	66	57.9 Å²	57.9	35%	0.353	30%	0.304	S	S	.	.	H	α-helix	trans	-63.8	-31.6	178	-80.9	-15.3	0	0	0	112.5	V271 E272 D273 R279	V271-D275 PolarHBondContact O-N 3.12Å; E272-D275 PolarHBondContact O-N 3.24Å; D273-D275 VanDerWaalsContact C-N 3.29Å; D273-D275 PolarHBondContact O-N 2.91Å; D275-R279 VanDerWaalsContact O-CG 3.3Å; D275-R279 WeakPolarHBondContact O-CG 3.45Å; D275-R279 PolarHBondContact O-N 3.08Å
276	V	92.5	Very high	91.2	Very high	45 Å²	45	57.6 Å²	57.6	27%	0.273	30%	0.297	S	S	.	.	H	α-helix	trans	-64.5	-44.6	173.3	179.8	0	0	0	0	110.5	L210 A213 E272 D273 I274 R279 L280	L210-V276 HydrophobicContact CD2-CG1 3.86Å; A213-V276 HydrophobicContact CB-CG1 3.73Å; E272-V276 PolarHBondContact O-N 3.29Å; D273-V276 WeakPolarHBondContact O-CB 3.28Å; D273-V276 PolarHBondContact O-N 3.25Å; D273-V276 VanDerWaalsContact O-N 3.15Å; I274-V276 VanDerWaalsContact C-N 3.25Å; I274-V276 PolarHBondContact O-N 3.36Å; V276-R279 PolarHBondContact O-N 3Å; V276-L280 PolarHBondContact O-N 3.28Å
277	Y	92.7	Very high	91.1	Very high	5 Å²	5	61 Å²	61	2%	0.02	31%	0.31	C	S	.	.	H	α-helix	trans	-69.5	-38	178.8	-82.1	-77.7	0	0	0	113.5	A213 S217 I229 A233 Y237 D273 I274 R279 L280 Q281 W289	A213-Y277 PolarHBondContact O-OH 2.96Å; S217-Y277 WeakPolarHBondContact CB-OH 3.12Å; S217-Y277 PolarHBondContact OG-OH 2.91Å; I229-Y277 HydrophobicContact CD1-CD2 3.65Å; I229-Y277 HydrophobicContact CD1-CE2 3.92Å; I229-Y277 HydrophobicContact CG1-CD2 3.73Å; I229-Y277 HydrophobicContact CG1-CE2 3.46Å; I229-Y277 VanDerWaalsContact CG1-CE2 3.46Å; A233-Y277 HydrophobicContact CB-CD1 4.32Å; A233-Y277 HydrophobicContact CB-CE1 3.69Å; A233-Y277 HydrophobicContact CB-CE2 4.14Å; Y237-Y277 HydrophobicContact CE2-CD1 4.02Å; Y237-Y277 AromaticContact CE2-CE1 3.73Å; Y237-Y277 HydrophobicContact CE2-CE1 3.73Å; D273-Y277 WeakPolarHBondContact O-CD2 3.46Å; D273-Y277 PolarHBondContact O-N 3.05Å; I274-Y277 PolarHBondContact O-N 3.22Å; I274-Y277 VanDerWaalsContact O-N 3.15Å; Y277-R279 VanDerWaalsContact C-N 3.27Å; Y277-R279 PolarHBondContact O-N 2.66Å; Y277-L280 HydrophobicContact CD1-CD2 4.23Å; Y277-L280 HydrophobicContact CE1-CD2 4.32Å; Y277-L280 PolarHBondContact O-N 3.49Å; Y277-L280 VanDerWaalsContact O-N 3.15Å; Y277-Q281 PolarHBondContact O-N 3.27Å; Y277-W289 HydrophobicContact CD1-CZ2 4.41Å; Y277-W289 HydrophobicContact CG-CH2 4.24Å; Y277-W289 AromaticContact CG-CZ2 3.96Å; Y277-W289 HydrophobicContact CG-CZ2 3.96Å
278	K	91.8	Very high	91.2	Very high	40 Å²	40	61.1 Å²	61.1	17%	0.174	31%	0.311	C	S	.	.	H	α-helix	trans	-56.6	-42.5	171.8	-78.1	-178.4	164.3	-169.5	0	112.1	I274 E282 W289 N290	I274-K278 HydrophobicContact CG2-CD 4.31Å; I274-K278 HydrophobicContact CG2-CG 4.34Å; I274-K278 PolarHBondContact O-N 3.09Å; K278-E282 PolarHBondContact O-N 3.4Å; K278-W289 HydrophobicContact CD-CB 4.26Å; K278-W289 VanDerWaalsContact CE-CB 3.41Å; K278-W289 HydrophobicContact CG-CB 3.91Å; K278-W289 HydrophobicContact CG-CG 3.97Å; K278-N290 PolarHBondContact NZ-OD1 3.34Å
279	R	91.1	Very high	91.4	Very high	180 Å²	180	56.9 Å²	56.9	68%	0.679	29%	0.291	S	S	*	.	H	α-helix	trans	-67.3	-38	176.2	-69.7	173.7	-169.7	-172.6	5.9	112.4	L210 D275 V276 Y277	L210-R279 HydrophobicContact CD2-CB 4.21Å; D275-R279 VanDerWaalsContact O-CG 3.3Å; D275-R279 WeakPolarHBondContact O-CG 3.45Å; D275-R279 PolarHBondContact O-N 3.08Å; V276-R279 PolarHBondContact O-N 3Å; Y277-R279 VanDerWaalsContact C-N 3.27Å; Y277-R279 PolarHBondContact O-N 2.66Å
280	L	89	Confident	91.4	Very high	39 Å²	39	57.2 Å²	57.2	20%	0.204	29%	0.293	C	S	.	.	H	α-helix	trans	-68.7	-35.6	179.2	176	63.1	0	0	0	112.9	L210 R214 Y237 V276 Y277	L210-L280 HydrophobicContact CB-CB 4.32Å; L210-L280 HydrophobicContact CB-CD1 3.85Å; R214-L280 HydrophobicContact CB-CD2 3.82Å; R214-L280 HydrophobicContact CG-CD2 4.3Å; Y237-L280 WeakPolarHBondContact OH-CD2 3.3Å; V276-L280 PolarHBondContact O-N 3.28Å; Y277-L280 HydrophobicContact CD1-CD2 4.23Å; Y277-L280 HydrophobicContact CE1-CD2 4.32Å; Y277-L280 PolarHBondContact O-N 3.49Å; Y277-L280 VanDerWaalsContact O-N 3.15Å
281	Q	85.5	Confident	91.5	Very high	19 Å²	19	57.8 Å²	57.8	9%	0.089	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-0.2	-175.1	-68.7	177.1	-22	0	0	114.3	Y277 G283 A284 Y285	Y277-Q281 PolarHBondContact O-N 3.27Å; Q281-G283 PolarHBondContact O-N 2.95Å; Q281-A284 PolarHBondContact O-N 2.67Å; Q281-A284 VanDerWaalsContact O-N 3.17Å; Q281-Y285 HydrophobicContact CB-CD2 4.2Å; Q281-Y285 VanDerWaalsContact CD-CD2 3.49Å; Q281-Y285 HydrophobicContact CG-CD2 4.17Å
282	E	84.2	Confident	91.5	Very high	183 Å²	183	56.4 Å²	56.4	86%	0.855	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	37.4	173.8	-58.9	-176.1	173.1	0	0	114.3	K278	K278-E282 PolarHBondContact O-N 3.4Å
283	G	85.3	Confident	91.6	Very high	34 Å²	34	52.5 Å²	52.5	35%	0.351	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.4	-3	173.6	0	0	0	0	0	116.7	Q281 Y285	Q281-G283 PolarHBondContact O-N 2.95Å; G283-Y285 VanDerWaalsContact C-N 3.28Å; G283-Y285 PolarHBondContact O-N 3.19Å
284	A	85.7	Confident	91.6	Very high	72 Å²	72	52.6 Å²	52.6	60%	0.595	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-35.7	-177.5	0	0	0	0	0	113.7	Q281	Q281-A284 PolarHBondContact O-N 2.67Å; Q281-A284 VanDerWaalsContact O-N 3.17Å
285	Y	89.9	Confident	91.6	Very high	44 Å²	44	53.3 Å²	53.3	17%	0.173	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	26.3	-174.1	-52.9	-74.1	0	0	0	113.4	I236 M240 E241 Q281 G283 Q287 F288 W289	I236-Y285 HydrophobicContact CD1-CG 4.37Å; I236-Y285 HydrophobicContact CG2-CD1 4.05Å; I236-Y285 HydrophobicContact CG2-CD2 3.57Å; I236-Y285 HydrophobicContact CG2-CE1 4.07Å; I236-Y285 HydrophobicContact CG2-CE2 3.56Å; I236-Y285 HydrophobicContact CG2-CG 3.79Å; M240-Y285 HydrophobicContact CB-CE1 3.9Å; M240-Y285 HydrophobicContact CE-CD1 3.52Å; M240-Y285 HydrophobicContact CE-CE1 3.56Å; M240-Y285 HydrophobicContact SD-CD1 3.73Å; M240-Y285 HydrophobicContact SD-CE1 3.85Å; E241-Y285 HydrophobicContact CG-CE2 4.23Å; E241-Y285 WeakPolarHBondContact CG-OH 3.14Å; E241-Y285 VanDerWaalsContact OE1-CE2 3.31Å; E241-Y285 WeakPolarHBondContact OE1-CE2 2.8Å; Q281-Y285 HydrophobicContact CB-CD2 4.2Å; Q281-Y285 VanDerWaalsContact CD-CD2 3.49Å; Q281-Y285 HydrophobicContact CG-CD2 4.17Å; G283-Y285 VanDerWaalsContact C-N 3.28Å; G283-Y285 PolarHBondContact O-N 3.19Å; Y285-Q287 PolarHBondContact O-N 3.44Å; Y285-F288 WeakPolarHBondContact O-CB 3.3Å; Y285-F288 PolarHBondContact O-N 3.33Å; Y285-F288 VanDerWaalsContact O-N 3.11Å; Y285-W289 VanDerWaalsContact O-CD1 3.27Å; Y285-W289 PolarHBondContact O-N 3.45Å; Y285-W289 VanDerWaalsContact O-N 3.15Å
286	D	90.2	Very high	91.6	Very high	63 Å²	63	50.2 Å²	50.2	34%	0.337	26%	0.26	S	S	.	.	H	α-helix	trans	-58.3	-35.9	-176.9	-84.9	-3.5	0	0	0	113.1	F288 W289 N290	D286-F288 PolarHBondContact O-N 2.73Å; D286-W289 PolarHBondContact O-N 2.98Å; D286-N290 WeakPolarHBondContact O-CB 2.92Å; D286-N290 PolarHBondContact O-N 3.04Å; D286-N290 PolarHBondContact O-ND2 3.47Å
287	Q	91.8	Very high	91.7	Very high	151 Å²	151	51.5 Å²	51.5	71%	0.706	26%	0.263	S	S	*	.	H	α-helix	trans	-60.8	-45.2	177.6	-64.9	179.5	10.9	0	0	111.5	Y285 N291	Y285-Q287 PolarHBondContact O-N 3.44Å; Q287-N291 WeakPolarHBondContact O-CB 3.39Å; Q287-N291 PolarHBondContact O-N 3.21Å; Q287-N291 PolarHBondContact O-ND2 2.95Å
288	F	94	Very high	91.7	Very high	5 Å²	5	52 Å²	52	2%	0.022	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-51	177.4	173.8	-93.9	0	0	0	110.9	L232 Y235 I236 P255 Y285 D286 N290 N291 I292 L376 L379	L232-F288 HydrophobicContact CD2-CE1 4.47Å; L232-F288 HydrophobicContact CD2-CZ 4.01Å; Y235-F288 AromaticContact CD1-CE2 3.64Å; Y235-F288 HydrophobicContact CD1-CE2 3.64Å; Y235-F288 AromaticContact CD1-CZ 3.75Å; Y235-F288 HydrophobicContact CD1-CZ 3.75Å; Y235-F288 HydrophobicContact CE1-CD2 4.43Å; Y235-F288 AromaticContact CE1-CE2 3.72Å; Y235-F288 HydrophobicContact CE1-CE2 3.72Å; Y235-F288 HydrophobicContact CE1-CZ 4.3Å; Y235-F288 HydrophobicContact CG-CZ 4.4Å; I236-F288 HydrophobicContact CD1-CD1 3.57Å; I236-F288 HydrophobicContact CD1-CE1 3.76Å; I236-F288 HydrophobicContact CD1-CG 4.48Å; I236-F288 HydrophobicContact CG1-CD1 3.96Å; I236-F288 HydrophobicContact CG1-CE1 3.86Å; I236-F288 HydrophobicContact CG1-CZ 4.46Å; P255-F288 HydrophobicContact CB-CE2 3.9Å; P255-F288 HydrophobicContact CB-CZ 4.15Å; P255-F288 HydrophobicContact CG-CE2 3.88Å; P255-F288 HydrophobicContact CG-CZ 4.45Å; Y285-F288 WeakPolarHBondContact O-CB 3.3Å; Y285-F288 PolarHBondContact O-N 3.33Å; Y285-F288 VanDerWaalsContact O-N 3.11Å; D286-F288 PolarHBondContact O-N 2.73Å; F288-N290 PolarHBondContact O-N 2.86Å; F288-N291 PolarHBondContact O-N 3.48Å; F288-I292 HydrophobicContact CD1-CG1 4.37Å; F288-I292 HydrophobicContact CE1-CG1 4.01Å; F288-I292 HydrophobicContact CE2-CG1 4.41Å; F288-I292 HydrophobicContact CZ-CD1 4.34Å; F288-I292 HydrophobicContact CZ-CG1 4.03Å; F288-I292 WeakPolarHBondContact O-CG1 3.39Å; F288-I292 PolarHBondContact O-N 3.41Å; F288-L376 HydrophobicContact CD2-CD2 3.55Å; F288-L376 HydrophobicContact CE2-CD2 3.69Å; F288-L376 HydrophobicContact CG-CD2 4.43Å; F288-L379 HydrophobicContact CD2-CD1 4.47Å
289	W	95.3	Very high	91.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.5	-38.1	-179.6	-67.9	119.6	0	0	0	113.2	I229 L232 I236 I274 Y277 K278 Y285 D286 N291 I292 L293	I229-W289 HydrophobicContact CD1-CH2 3.9Å; I229-W289 HydrophobicContact CD1-CZ3 3.9Å; L232-W289 HydrophobicContact CB-CH2 4.11Å; L232-W289 HydrophobicContact CB-CZ3 3.96Å; L232-W289 HydrophobicContact CD1-CZ3 4.48Å; I236-W289 HydrophobicContact CD1-CD2 4.25Å; I236-W289 HydrophobicContact CD1-CH2 4.11Å; I236-W289 HydrophobicContact CD1-CZ2 3.27Å; I236-W289 HydrophobicContact CG1-CZ2 4.47Å; I274-W289 HydrophobicContact CB-CE3 4.23Å; I274-W289 HydrophobicContact CD1-CE3 4.42Å; I274-W289 HydrophobicContact CG1-CE3 3.78Å; I274-W289 HydrophobicContact CG1-CZ3 3.8Å; I274-W289 HydrophobicContact CG2-CB 3.99Å; I274-W289 HydrophobicContact CG2-CD2 4.02Å; I274-W289 HydrophobicContact CG2-CE3 3.64Å; I274-W289 HydrophobicContact CG2-CG 4.21Å; I274-W289 HydrophobicContact CG2-CZ3 4.41Å; Y277-W289 HydrophobicContact CD1-CZ2 4.41Å; Y277-W289 HydrophobicContact CG-CH2 4.24Å; Y277-W289 AromaticContact CG-CZ2 3.96Å; Y277-W289 HydrophobicContact CG-CZ2 3.96Å; K278-W289 HydrophobicContact CD-CB 4.26Å; K278-W289 VanDerWaalsContact CE-CB 3.41Å; K278-W289 HydrophobicContact CG-CB 3.91Å; K278-W289 HydrophobicContact CG-CG 3.97Å; Y285-W289 VanDerWaalsContact O-CD1 3.27Å; Y285-W289 PolarHBondContact O-N 3.45Å; Y285-W289 VanDerWaalsContact O-N 3.15Å; D286-W289 PolarHBondContact O-N 2.98Å; W289-N291 VanDerWaalsContact C-N 3.31Å; W289-N291 PolarHBondContact O-N 3.39Å; W289-I292 PolarHBondContact O-N 3.36Å; W289-L293 WeakPolarHBondContact O-CB 3.46Å; W289-L293 VanDerWaalsContact O-CG 3.3Å; W289-L293 WeakPolarHBondContact O-CG 3.44Å; W289-L293 PolarHBondContact O-N 3.11Å
290	N	95.1	Very high	91.6	Very high	73 Å²	73	46.2 Å²	46.2	39%	0.39	24%	0.243	S	C	.	.	H	α-helix	trans	-62	-41.9	175.2	-73	-27.5	0	0	0	111.1	K278 D286 F288 L293 V294	K278-N290 PolarHBondContact NZ-OD1 3.34Å; D286-N290 WeakPolarHBondContact O-CB 2.92Å; D286-N290 PolarHBondContact O-N 3.04Å; D286-N290 PolarHBondContact O-ND2 3.47Å; F288-N290 PolarHBondContact O-N 2.86Å; N290-L293 PolarHBondContact O-N 3.09Å; N290-V294 WeakPolarHBondContact O-CG2 3.46Å; N290-V294 PolarHBondContact O-N 3.01Å
291	N	95.5	Very high	91.7	Very high	16 Å²	16	50.2 Å²	50.2	9%	0.086	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-44.3	175.7	-70.5	-22.4	0	0	0	111.8	Q287 F288 W289 L293 V294 V295 A372 Q375 L376	Q287-N291 WeakPolarHBondContact O-CB 3.39Å; Q287-N291 PolarHBondContact O-N 3.21Å; Q287-N291 PolarHBondContact O-ND2 2.95Å; F288-N291 PolarHBondContact O-N 3.48Å; W289-N291 VanDerWaalsContact C-N 3.31Å; W289-N291 PolarHBondContact O-N 3.39Å; N291-L293 PolarHBondContact O-N 3.43Å; N291-V294 PolarHBondContact O-N 3.3Å; N291-V295 WeakPolarHBondContact O-CG2 3.39Å; N291-V295 PolarHBondContact O-N 3.16Å; N291-V295 VanDerWaalsContact O-N 3.15Å; N291-A372 HydrophobicContact CB-CB 3.95Å; N291-Q375 WeakPolarHBondContact ND2-CB 3.24Å; N291-Q375 PolarHBondContact ND2-OE1 2.81Å; N291-Q375 PolarHBondContact OD1-OE1 3.23Å; N291-Q375 VanDerWaalsContact OD1-OE1 3.08Å; N291-L376 HydrophobicContact CB-CD1 4.11Å; N291-L376 HydrophobicContact CB-CD2 4.01Å; N291-L376 HydrophobicContact CB-CG 3.86Å
292	I	95.8	Very high	91.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.5	-43	174.7	-65.4	-66	0	0	0	111.2	L232 P255 I274 F288 W289 V294 V295 V296 L376	L232-I292 HydrophobicContact CD1-CG2 3.87Å; L232-I292 HydrophobicContact CD2-CD1 3.76Å; L232-I292 HydrophobicContact CD2-CG1 4.2Å; P255-I292 HydrophobicContact CB-CD1 3.8Å; I274-I292 HydrophobicContact CD1-CG2 3.7Å; F288-I292 HydrophobicContact CD1-CG1 4.37Å; F288-I292 HydrophobicContact CE1-CG1 4.01Å; F288-I292 HydrophobicContact CE2-CG1 4.41Å; F288-I292 HydrophobicContact CZ-CD1 4.34Å; F288-I292 HydrophobicContact CZ-CG1 4.03Å; F288-I292 WeakPolarHBondContact O-CG1 3.39Å; F288-I292 PolarHBondContact O-N 3.41Å; W289-I292 PolarHBondContact O-N 3.36Å; I292-V294 VanDerWaalsContact C-N 3.3Å; I292-V294 PolarHBondContact O-N 2.99Å; I292-V295 WeakPolarHBondContact O-CB 3.43Å; I292-V295 PolarHBondContact O-N 3.48Å; I292-V295 VanDerWaalsContact O-N 3.11Å; I292-V296 HydrophobicContact CG2-CG2 3.95Å; I292-V296 VanDerWaalsContact O-CG2 3.29Å; I292-V296 WeakPolarHBondContact O-CG2 3.31Å; I292-V296 PolarHBondContact O-N 3.36Å; I292-L376 HydrophobicContact CD1-CD1 3.62Å; I292-L376 HydrophobicContact CD1-CD2 3.94Å; I292-L376 HydrophobicContact CD1-CG 4.45Å; I292-L376 HydrophobicContact CG1-CD1 4.34Å; I292-L376 HydrophobicContact CG1-CD2 4.13Å
293	L	95.6	Very high	91.9	Very high	18 Å²	18	45.7 Å²	45.7	9%	0.094	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-39.6	177.3	-76.9	170.8	0	0	0	112.4	V271 I274 W289 N290 N291 V295 V296 H297	V271-L293 HydrophobicContact CB-CD2 4.35Å; V271-L293 HydrophobicContact CG1-CD2 4.07Å; V271-L293 HydrophobicContact CG2-CD2 4.07Å; I274-L293 HydrophobicContact CB-CD2 4.19Å; I274-L293 HydrophobicContact CD1-CD2 3.82Å; I274-L293 HydrophobicContact CD1-CG 4.24Å; I274-L293 HydrophobicContact CG2-CD1 4.09Å; I274-L293 HydrophobicContact CG2-CD2 3.98Å; I274-L293 HydrophobicContact CG2-CG 3.92Å; W289-L293 WeakPolarHBondContact O-CB 3.46Å; W289-L293 VanDerWaalsContact O-CG 3.3Å; W289-L293 WeakPolarHBondContact O-CG 3.44Å; W289-L293 PolarHBondContact O-N 3.11Å; N290-L293 PolarHBondContact O-N 3.09Å; N291-L293 PolarHBondContact O-N 3.43Å; L293-V295 VanDerWaalsContact C-N 3.34Å; L293-V296 PolarHBondContact O-N 3.47Å; L293-H297 VanDerWaalsContact O-CB 3.28Å; L293-H297 WeakPolarHBondContact O-CB 3.4Å; L293-H297 PolarHBondContact O-CD2 2.92Å; L293-H297 PolarHBondContact O-N 3.17Å
294	V	95	Very high	92	Very high	52 Å²	52	44.6 Å²	44.6	32%	0.315	23%	0.225	S	C	.	.	H	α-helix	trans	-61.1	-45.1	174.7	172.7	0	0	0	0	110.6	N290 N291 I292 H297 D298 R368 V369 A372	N290-V294 WeakPolarHBondContact O-CG2 3.46Å; N290-V294 PolarHBondContact O-N 3.01Å; N291-V294 PolarHBondContact O-N 3.3Å; I292-V294 VanDerWaalsContact C-N 3.3Å; I292-V294 PolarHBondContact O-N 2.99Å; V294-H297 PolarHBondContact O-N 3.12Å; V294-D298 PolarHBondContact O-N 3.22Å; V294-R368 HydrophobicContact CG1-CB 4.37Å; V294-V369 HydrophobicContact CG1-CG2 4.05Å; V294-A372 HydrophobicContact CB-CB 3.99Å; V294-A372 HydrophobicContact CG1-CB 3.97Å
295	V	94.3	Very high	92	Very high	14 Å²	14	43.1 Å²	43.1	9%	0.085	21%	0.209	C	C	.	.	H	α-helix	trans	-63.7	-47	177.7	175.1	0	0	0	0	111.4	Q256 C259 N291 I292 L293 H297 D298 H299 A372 V373 L376	Q256-V295 HydrophobicContact CB-CG1 4.28Å; C259-V295 HydrophobicContact CB-CG1 4.01Å; N291-V295 WeakPolarHBondContact O-CG2 3.39Å; N291-V295 PolarHBondContact O-N 3.16Å; N291-V295 VanDerWaalsContact O-N 3.15Å; I292-V295 WeakPolarHBondContact O-CB 3.43Å; I292-V295 PolarHBondContact O-N 3.48Å; I292-V295 VanDerWaalsContact O-N 3.11Å; L293-V295 VanDerWaalsContact C-N 3.34Å; V295-H297 PolarHBondContact O-N 3.04Å; V295-D298 PolarHBondContact O-N 2.94Å; V295-H299 WeakPolarHBondContact O-CB 3.4Å; V295-H299 PolarHBondContact O-N 3.06Å; V295-A372 HydrophobicContact CG2-CB 4.31Å; V295-V373 HydrophobicContact CG2-CG2 3.75Å; V295-L376 HydrophobicContact CG2-CD1 4.22Å
296	V	94.6	Very high	91.7	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-40.8	179.6	175.2	0	0	0	0	111	C259 C267 L270 V271 I292 L293 H299 R300	C259-V296 HydrophobicContact CB-CG2 4.32Å; C259-V296 VanDerWaalsContact SG-CG2 3.55Å; C267-V296 HydrophobicContact CB-CG1 4.13Å; L270-V296 HydrophobicContact CD2-CG1 4.2Å; L270-V296 HydrophobicContact CD2-CG2 3.45Å; L270-V296 VanDerWaalsContact CD2-CG2 3.45Å; L270-V296 HydrophobicContact CG-CG2 4.19Å; V271-V296 HydrophobicContact CG2-CG1 3.8Å; I292-V296 HydrophobicContact CG2-CG2 3.95Å; I292-V296 VanDerWaalsContact O-CG2 3.29Å; I292-V296 WeakPolarHBondContact O-CG2 3.31Å; I292-V296 PolarHBondContact O-N 3.36Å; L293-V296 PolarHBondContact O-N 3.47Å; V296-H299 PolarHBondContact O-N 3.3Å; V296-R300 WeakPolarHBondContact O-CB 3.43Å; V296-R300 PolarHBondContact O-N 3.46Å
297	H	94	Very high	91.5	Very high	73 Å²	73	48.7 Å²	48.7	34%	0.338	24%	0.241	S	C	.	.	H	α-helix	trans	-65.3	-38.4	176.7	-80.2	-44.5	0	0	0	112.9	L293 V294 V295 K301	L293-H297 VanDerWaalsContact O-CB 3.28Å; L293-H297 WeakPolarHBondContact O-CB 3.4Å; L293-H297 PolarHBondContact O-CD2 2.92Å; L293-H297 PolarHBondContact O-N 3.17Å; V294-H297 PolarHBondContact O-N 3.12Å; V295-H297 PolarHBondContact O-N 3.04Å; H297-K301 WeakPolarHBondContact O-CG 3.15Å; H297-K301 PolarHBondContact O-N 3.37Å; H297-K301 VanDerWaalsContact O-N 3.11Å
298	D	91.3	Very high	90.9	Very high	14 Å²	14	44.5 Å²	44.5	8%	0.075	24%	0.239	C	C	.	.	H	α-helix	trans	-69.5	-46	174.5	-172.7	68.3	0	0	0	111.5	V294 V295 R300 K301 Q302 R314 V369	V294-D298 PolarHBondContact O-N 3.22Å; V295-D298 PolarHBondContact O-N 2.94Å; D298-R300 VanDerWaalsContact C-N 3.3Å; D298-R300 PolarHBondContact O-N 3.48Å; D298-K301 WeakPolarHBondContact O-CA 3.48Å; D298-K301 WeakPolarHBondContact O-CB 3.48Å; D298-K301 PolarHBondContact O-N 2.89Å; D298-Q302 WeakPolarHBondContact O-CG 3.47Å; D298-Q302 PolarHBondContact O-N 2.84Å; D298-Q302 PolarHBondContact OD2-NE2 2.71Å; D298-R314 IonicContact OD1-NH2 2.69Å; D298-R314 PolarHBondContact OD1-NH2 3.24Å; D298-R314 IonicContact OD2-NH2 2.85Å; D298-V369 HydrophobicContact CB-CG1 4.4Å; D298-V369 HydrophobicContact CB-CG2 3.37Å
299	H	90.8	Very high	90.2	Very high	17 Å²	17	50 Å²	50	8%	0.079	27%	0.268	C	S	.	.	H	α-helix	trans	-56.5	-45.1	175.1	-174.5	64.2	0	0	0	111.8	C259 E260 L262 C267 V295 V296 K301 Q302 E303	C259-H299 PolarHBondContact O-CD2 3.13Å; C259-H299 PolarHBondContact O-NE2 3Å; E260-H299 PolarHBondContact O-CE1 2.85Å; L262-H299 PolarHBondContact O-NE2 3.31Å; L262-H299 VanDerWaalsContact O-NE2 3.09Å; C267-H299 VanDerWaalsContact SG-CD2 3.6Å; V295-H299 WeakPolarHBondContact O-CB 3.4Å; V295-H299 PolarHBondContact O-N 3.06Å; V296-H299 PolarHBondContact O-N 3.3Å; H299-K301 VanDerWaalsContact C-N 3.3Å; H299-K301 PolarHBondContact O-N 2.96Å; H299-Q302 WeakPolarHBondContact O-CB 3.48Å; H299-Q302 PolarHBondContact O-N 3.35Å; H299-Q302 VanDerWaalsContact O-N 3.09Å; H299-E303 IonicContact CE1-OE1 3.69Å; H299-E303 PolarHBondContact O-N 3.23Å
300	R	91.8	Very high	89.2	Confident	82 Å²	82	53.5 Å²	53.5	31%	0.309	29%	0.289	S	S	.	.	H	α-helix	trans	-57.9	-40.8	174.3	-166.8	-174	69.1	131.1	-4	112.3	L264 C267 E268 V296 D298 A304	L264-R300 HydrophobicContact CD1-CG 3.48Å; L264-R300 VanDerWaalsContact CD1-CG 3.48Å; C267-R300 HydrophobicContact CB-CB 3.99Å; C267-R300 HydrophobicContact CB-CG 3.95Å; E268-R300 IonicContact OE1-NH1 3.54Å; E268-R300 PolarHBondContact OE1-NH1 2.99Å; V296-R300 WeakPolarHBondContact O-CB 3.43Å; V296-R300 PolarHBondContact O-N 3.46Å; D298-R300 VanDerWaalsContact C-N 3.3Å; D298-R300 PolarHBondContact O-N 3.48Å; R300-A304 VanDerWaalsContact O-CB 3.29Å; R300-A304 WeakPolarHBondContact O-CB 3.24Å; R300-A304 PolarHBondContact O-N 3.43Å
301	K	89.5	Confident	88.1	Confident	123 Å²	123	55.5 Å²	55.5	54%	0.535	31%	0.306	S	S	.	.	H	α-helix	trans	-65.4	-42.6	175	-75.1	174.4	-179	-178.3	0	111.2	H297 D298 H299 A304 V305	H297-K301 WeakPolarHBondContact O-CG 3.15Å; H297-K301 PolarHBondContact O-N 3.37Å; H297-K301 VanDerWaalsContact O-N 3.11Å; D298-K301 WeakPolarHBondContact O-CA 3.48Å; D298-K301 WeakPolarHBondContact O-CB 3.48Å; D298-K301 PolarHBondContact O-N 2.89Å; H299-K301 VanDerWaalsContact C-N 3.3Å; H299-K301 PolarHBondContact O-N 2.96Å; K301-A304 PolarHBondContact O-N 3.47Å; K301-V305 VanDerWaalsContact O-CG2 3.31Å; K301-V305 WeakPolarHBondContact O-CG2 3.18Å; K301-V305 PolarHBondContact O-N 2.87Å
302	Q	87.4	Confident	86.8	Confident	60 Å²	60	57.2 Å²	57.2	28%	0.28	32%	0.315	S	S	.	.	H	α-helix	trans	-62	-45.4	177.6	-65.1	-175.9	25.4	0	0	111.5	D298 H299 V305 K306	D298-Q302 WeakPolarHBondContact O-CG 3.47Å; D298-Q302 PolarHBondContact O-N 2.84Å; D298-Q302 PolarHBondContact OD2-NE2 2.71Å; H299-Q302 WeakPolarHBondContact O-CB 3.48Å; H299-Q302 PolarHBondContact O-N 3.35Å; H299-Q302 VanDerWaalsContact O-N 3.09Å; Q302-V305 PolarHBondContact O-N 3.25Å; Q302-K306 VanDerWaalsContact O-CG 3.31Å; Q302-K306 WeakPolarHBondContact O-CG 3.24Å; Q302-K306 PolarHBondContact O-N 2.75Å
303	E	86.8	Confident	85.3	Confident	48 Å²	48	62 Å²	62	22%	0.224	35%	0.349	C	S	.	.	H	α-helix	trans	-65.3	-39.4	176.2	-71	-55.8	120.8	0	0	112.4	H299 V305 K306 S307	H299-E303 IonicContact CE1-OE1 3.69Å; H299-E303 PolarHBondContact O-N 3.23Å; E303-V305 VanDerWaalsContact C-N 3.3Å; E303-V305 PolarHBondContact O-N 3.07Å; E303-K306 PolarHBondContact O-N 2.91Å; E303-K306 WeakPolarHBondContact OE1-CD 3.42Å; E303-K306 IonicContact OE1-NZ 3.15Å; E303-K306 PolarHBondContact OE1-NZ 2.87Å; E303-S307 WeakPolarHBondContact O-CB 3.25Å; E303-S307 PolarHBondContact O-N 3.02Å
304	A	87.5	Confident	83.6	Confident	10 Å²	10	64.1 Å²	64.1	8%	0.083	36%	0.355	C	S	.	.	H	α-helix	trans	-63.3	-36.4	175.2	0	0	0	0	0	112.6	L264 R300 K301 G308 L309 V310	L264-A304 HydrophobicContact CD1-CB 4.15Å; R300-A304 VanDerWaalsContact O-CB 3.29Å; R300-A304 WeakPolarHBondContact O-CB 3.24Å; R300-A304 PolarHBondContact O-N 3.43Å; K301-A304 PolarHBondContact O-N 3.47Å; A304-G308 PolarHBondContact O-N 3.29Å; A304-L309 PolarHBondContact O-N 3.46Å; A304-V310 HydrophobicContact CB-CB 4.38Å; A304-V310 HydrophobicContact CB-CG2 3.86Å; A304-V310 PolarHBondContact O-N 3.42Å
305	V	85.9	Confident	81.7	Confident	42 Å²	42	69.5 Å²	69.5	26%	0.255	38%	0.377	S	S	.	.	H	α-helix	trans	-68.8	-47.2	173.5	169.1	0	0	0	0	110.9	K301 Q302 E303 S307 G308 V310 D312	K301-V305 VanDerWaalsContact O-CG2 3.31Å; K301-V305 WeakPolarHBondContact O-CG2 3.18Å; K301-V305 PolarHBondContact O-N 2.87Å; Q302-V305 PolarHBondContact O-N 3.25Å; E303-V305 VanDerWaalsContact C-N 3.3Å; E303-V305 PolarHBondContact O-N 3.07Å; V305-S307 VanDerWaalsContact C-N 3.27Å; V305-S307 PolarHBondContact O-N 2.79Å; V305-G308 PolarHBondContact O-N 2.97Å; V305-V310 HydrophobicContact CG2-CB 4.31Å; V305-V310 HydrophobicContact CG2-CG1 4.36Å; V305-D312 HydrophobicContact CG1-CB 3.61Å
306	K	84.5	Confident	79.9	Confident	142 Å²	142	72.2 Å²	72.2	62%	0.617	40%	0.401	S	S	*	.	H	α-helix	trans	-59.7	-37.3	176.6	-71.2	173	-166.3	168.4	0	112.4	Q302 E303 G308	Q302-K306 VanDerWaalsContact O-CG 3.31Å; Q302-K306 WeakPolarHBondContact O-CG 3.24Å; Q302-K306 PolarHBondContact O-N 2.75Å; E303-K306 PolarHBondContact O-N 2.91Å; E303-K306 WeakPolarHBondContact OE1-CD 3.42Å; E303-K306 IonicContact OE1-NZ 3.15Å; E303-K306 PolarHBondContact OE1-NZ 2.87Å; K306-G308 PolarHBondContact O-N 2.75Å
307	S	84.4	Confident	78.4	Confident	81 Å²	81	72.9 Å²	72.9	57%	0.566	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-6	176.5	-172.5	0	0	0	0	113.6	E303 V305 L309	E303-S307 WeakPolarHBondContact O-CB 3.25Å; E303-S307 PolarHBondContact O-N 3.02Å; V305-S307 VanDerWaalsContact C-N 3.27Å; V305-S307 PolarHBondContact O-N 2.79Å; S307-L309 VanDerWaalsContact C-N 3.28Å; S307-L309 PolarHBondContact O-N 3.46Å
308	G	79.8	Confident	77.1	Confident	64 Å²	64	73 Å²	73	66%	0.66	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	12.4	-179	0	0	0	0	0	115.2	A304 V305 K306	A304-G308 PolarHBondContact O-N 3.29Å; V305-G308 PolarHBondContact O-N 2.97Å; K306-G308 PolarHBondContact O-N 2.75Å
309	L	79	Confident	76.2	Confident	121 Å²	121	77.4 Å²	77.4	63%	0.634	45%	0.446	S	S	*	.	S	Bend	trans	-74.8	-31	177	-99.6	68.1	0	0	0	112.1	L264 A304 S307	L264-L309 HydrophobicContact CD2-CD2 4.13Å; A304-L309 PolarHBondContact O-N 3.46Å; S307-L309 VanDerWaalsContact C-N 3.28Å; S307-L309 PolarHBondContact O-N 3.46Å
310	V	74.6	Confident	75.5	Confident	73 Å²	73	79.6 Å²	79.6	44%	0.442	47%	0.467	S	S	.	.	S	Bend	trans	-120.8	130.2	-178.3	177.7	0	0	0	0	108.4	A304 V305 D312	A304-V310 HydrophobicContact CB-CB 4.38Å; A304-V310 HydrophobicContact CB-CG2 3.86Å; A304-V310 PolarHBondContact O-N 3.42Å; V305-V310 HydrophobicContact CG2-CB 4.31Å; V305-V310 HydrophobicContact CG2-CG1 4.36Å; V310-D312 PolarHBondContact O-N 3.4Å
311	P	72.2	Confident	74.9	Confident	114 Å²	114	78 Å²	78	74%	0.74	47%	0.467	S	S	*	.			trans	-59.7	134.3	172.9	23.5	-30.8	0	0	0	109.5	S313	P311-S313 PolarHBondContact O-N 3.46Å
312	D	68.4	Low	74.2	Confident	52 Å²	52	73.7 Å²	73.7	28%	0.278	45%	0.448	S	S	.	.			trans	-68.2	96.3	-177.8	-173	12.9	0	0	0	110.4	V305 V310 R314 Q315	V305-D312 HydrophobicContact CG1-CB 3.61Å; V310-D312 PolarHBondContact O-N 3.4Å; D312-R314 PolarHBondContact O-N 2.89Å; D312-R314 VanDerWaalsContact O-N 3.12Å; D312-R314 WeakPolarHBondContact OD1-CA 3.2Å; D312-R314 WeakPolarHBondContact OD1-CB 3.03Å; D312-R314 WeakPolarHBondContact OD1-CG 3.38Å; D312-R314 PolarHBondContact OD1-N 3.35Å; D312-Q315 HydrophobicContact CB-CG 3.93Å; D312-Q315 WeakPolarHBondContact O-CB 3.4Å; D312-Q315 PolarHBondContact O-N 3.32Å
313	S	63.8	Low	73.9	Confident	101 Å²	101	72.3 Å²	72.3	71%	0.706	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-61.9	-17.4	174.4	-137.3	0	0	0	0	111.7	P311 Q315	P311-S313 PolarHBondContact O-N 3.46Å; S313-Q315 VanDerWaalsContact C-N 3.3Å
314	R	60	Low	73.8	Confident	62 Å²	62	73.3 Å²	73.3	23%	0.234	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-73.8	-17.8	174.6	-55.7	-179	172.1	-176	2.9	112.6	D298 D312 A316 V317 M322 L362	D298-R314 IonicContact OD1-NH2 2.69Å; D298-R314 PolarHBondContact OD1-NH2 3.24Å; D298-R314 IonicContact OD2-NH2 2.85Å; D312-R314 PolarHBondContact O-N 2.89Å; D312-R314 VanDerWaalsContact O-N 3.12Å; D312-R314 WeakPolarHBondContact OD1-CA 3.2Å; D312-R314 WeakPolarHBondContact OD1-CB 3.03Å; D312-R314 WeakPolarHBondContact OD1-CG 3.38Å; D312-R314 PolarHBondContact OD1-N 3.35Å; R314-A316 PolarHBondContact O-N 2.6Å; R314-A316 VanDerWaalsContact O-N 3.13Å; R314-V317 PolarHBondContact O-N 3.33Å; R314-M322 HydrophobicContact CB-CE 4.05Å; R314-M322 HydrophobicContact CG-CE 4.08Å; R314-L362 HydrophobicContact CB-CD2 4.5Å; R314-L362 HydrophobicContact CG-CD1 3.81Å; R314-L362 HydrophobicContact CG-CD2 4.37Å
315	Q	56.2	Low	73.6	Confident	166 Å²	166	73.1 Å²	73.1	78%	0.776	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-60.8	-21.5	174.1	-78.1	178.2	7.4	0	0	113.4	D312 S313 V317	D312-Q315 HydrophobicContact CB-CG 3.93Å; D312-Q315 WeakPolarHBondContact O-CB 3.4Å; D312-Q315 PolarHBondContact O-N 3.32Å; S313-Q315 VanDerWaalsContact C-N 3.3Å; Q315-V317 PolarHBondContact O-N 3.03Å
316	A	56	Low	73.4	Confident	70 Å²	70	75.7 Å²	75.7	58%	0.579	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-64.5	-22.9	173.1	0	0	0	0	0	112.6	R314	R314-A316 PolarHBondContact O-N 2.6Å; R314-A316 VanDerWaalsContact O-N 3.13Å
317	V	62.3	Low	73.5	Confident	15 Å²	15	76.3 Å²	76.3	9%	0.091	46%	0.463	C	S	.	.	S	Bend	trans	-120.5	122.3	-174.2	-177.7	0	0	0	0	110.2	R314 Q315 V321 Y359 L362	R314-V317 PolarHBondContact O-N 3.33Å; Q315-V317 PolarHBondContact O-N 3.03Å; V317-V321 HydrophobicContact CG1-CB 3.65Å; V317-V321 HydrophobicContact CG1-CG1 3.61Å; V317-V321 HydrophobicContact CG1-CG2 4.37Å; V317-Y359 HydrophobicContact CG1-CD2 4.21Å; V317-Y359 HydrophobicContact CG2-CD2 4.11Å; V317-L362 HydrophobicContact CB-CD2 3.78Å; V317-L362 HydrophobicContact CG1-CD2 4.33Å; V317-L362 HydrophobicContact CG2-CD2 3.66Å
318	S	66.8	Low	73.5	Confident	77 Å²	77	76.5 Å²	76.5	54%	0.538	46%	0.456	S	S	.	.			trans	-57.8	140.7	180	178.1	0	0	0	0	112.1	A320 V321 M322	S318-A320 PolarHBondContact O-N 3.5Å; S318-A320 PolarHBondContact OG-N 2.58Å; S318-V321 WeakPolarHBondContact O-CA 3.48Å; S318-V321 WeakPolarHBondContact O-CB 3.44Å; S318-V321 PolarHBondContact O-N 2.89Å; S318-M322 PolarHBondContact O-N 3.48Å
319	S	72.5	Confident	73.9	Confident	105 Å²	105	73.9 Å²	73.9	73%	0.734	43%	0.427	S	S	*	.	H	α-helix	trans	-51.2	-30.3	174.1	169.6	0	0	0	0	113.2	V321 M322 G323	S319-V321 VanDerWaalsContact C-N 3.34Å; S319-V321 PolarHBondContact O-N 2.95Å; S319-M322 WeakPolarHBondContact O-CB 3.43Å; S319-M322 PolarHBondContact O-N 2.84Å; S319-G323 PolarHBondContact O-N 3.02Å
320	A	76.7	Confident	74.1	Confident	64 Å²	64	74 Å²	74	53%	0.529	42%	0.424	S	S	.	.	H	α-helix	trans	-61.7	-40.6	174.2	0	0	0	0	0	112.7	S318 M322 G323 D324	S318-A320 PolarHBondContact O-N 3.5Å; S318-A320 PolarHBondContact OG-N 2.58Å; A320-M322 VanDerWaalsContact C-N 3.33Å; A320-G323 PolarHBondContact O-N 3.31Å; A320-D324 PolarHBondContact O-N 2.75Å
321	V	78.7	Confident	74.5	Confident	49 Å²	49	74.6 Å²	74.6	30%	0.297	45%	0.446	S	S	.	.	H	α-helix	trans	-69.1	-36.7	177.5	179.5	0	0	0	0	110.2	V317 S318 S319 D324 I325 Y359	V317-V321 HydrophobicContact CG1-CB 3.65Å; V317-V321 HydrophobicContact CG1-CG1 3.61Å; V317-V321 HydrophobicContact CG1-CG2 4.37Å; S318-V321 WeakPolarHBondContact O-CA 3.48Å; S318-V321 WeakPolarHBondContact O-CB 3.44Å; S318-V321 PolarHBondContact O-N 2.89Å; S319-V321 VanDerWaalsContact C-N 3.34Å; S319-V321 PolarHBondContact O-N 2.95Å; V321-D324 PolarHBondContact O-N 2.84Å; V321-I325 HydrophobicContact CG1-CD1 3.88Å; V321-I325 HydrophobicContact CG1-CG1 4.36Å; V321-I325 WeakPolarHBondContact O-CB 3.49Å; V321-I325 WeakPolarHBondContact O-CD1 3.29Å; V321-I325 WeakPolarHBondContact O-CG1 3.33Å; V321-I325 PolarHBondContact O-N 2.87Å; V321-Y359 HydrophobicContact CG1-CD2 4.29Å; V321-Y359 HydrophobicContact CG1-CE2 3.56Å
322	M	75.9	Confident	75.3	Confident	31 Å²	31	73 Å²	73	15%	0.153	43%	0.427	C	S	.	.	H	α-helix	trans	-63.9	-43	176.5	-157.4	159.8	-82.5	0	0	111.8	R314 S318 S319 A320 I325 E326 L362 L366	R314-M322 HydrophobicContact CB-CE 4.05Å; R314-M322 HydrophobicContact CG-CE 4.08Å; S318-M322 PolarHBondContact O-N 3.48Å; S319-M322 WeakPolarHBondContact O-CB 3.43Å; S319-M322 PolarHBondContact O-N 2.84Å; A320-M322 VanDerWaalsContact C-N 3.33Å; M322-I325 WeakPolarHBondContact O-CB 3.27Å; M322-I325 PolarHBondContact O-N 2.6Å; M322-E326 WeakPolarHBondContact O-CG 3.46Å; M322-E326 PolarHBondContact O-N 2.94Å; M322-L362 HydrophobicContact CE-CD2 3.81Å; M322-L366 HydrophobicContact CE-CD1 4.26Å
323	G	80.8	Confident	76.2	Confident	32 Å²	32	72.8 Å²	72.8	33%	0.33	43%	0.432	S	S	.	.	H	α-helix	trans	-66.3	-35.7	173.7	0	0	0	0	0	113.6	S319 A320 E326 R327	S319-G323 PolarHBondContact O-N 3.02Å; A320-G323 PolarHBondContact O-N 3.31Å; G323-E326 PolarHBondContact O-N 3.23Å; G323-R327 WeakPolarHBondContact O-CB 3.23Å; G323-R327 PolarHBondContact O-N 2.83Å
324	D	83.3	Confident	77.5	Confident	69 Å²	69	68.6 Å²	68.6	37%	0.369	40%	0.402	S	S	.	.	H	α-helix	trans	-66	-40	172.5	-76.8	-20.8	0	0	0	111.8	A320 V321 R327 I328	A320-D324 PolarHBondContact O-N 2.75Å; V321-D324 PolarHBondContact O-N 2.84Å; D324-R327 PolarHBondContact O-N 3.44Å; D324-R327 IonicContact OD1-CZ 2.63Å; D324-R327 IonicContact OD1-NH1 2.69Å; D324-R327 PolarHBondContact OD1-NH1 3Å; D324-R327 IonicContact OD1-NH2 3.79Å; D324-R327 PolarHBondContact OD1-NH2 2.89Å; D324-I328 WeakPolarHBondContact O-CD1 3.24Å; D324-I328 WeakPolarHBondContact O-CG1 3.41Å; D324-I328 PolarHBondContact O-N 2.85Å
325	I	83.5	Confident	79	Confident	5 Å²	5	72.9 Å²	72.9	3%	0.026	43%	0.425	C	S	.	.	H	α-helix	trans	-63	-45.9	174.7	-71.9	165.8	0	0	0	110.9	V321 M322 R327 I328 F329 Y359 L363 L366	V321-I325 HydrophobicContact CG1-CD1 3.88Å; V321-I325 HydrophobicContact CG1-CG1 4.36Å; V321-I325 WeakPolarHBondContact O-CB 3.49Å; V321-I325 WeakPolarHBondContact O-CD1 3.29Å; V321-I325 WeakPolarHBondContact O-CG1 3.33Å; V321-I325 PolarHBondContact O-N 2.87Å; M322-I325 WeakPolarHBondContact O-CB 3.27Å; M322-I325 PolarHBondContact O-N 2.6Å; I325-R327 VanDerWaalsContact C-N 3.34Å; I325-R327 PolarHBondContact O-N 2.83Å; I325-I328 WeakPolarHBondContact O-CB 3.28Å; I325-I328 PolarHBondContact O-N 3.42Å; I325-I328 VanDerWaalsContact O-N 3.11Å; I325-F329 HydrophobicContact CG2-CD2 3.71Å; I325-F329 HydrophobicContact CG2-CE1 4.26Å; I325-F329 HydrophobicContact CG2-CE2 3.16Å; I325-F329 HydrophobicContact CG2-CG 4.49Å; I325-F329 HydrophobicContact CG2-CZ 3.5Å; I325-F329 VanDerWaalsContact CG2-CZ 3.5Å; I325-F329 WeakPolarHBondContact O-CD2 3.38Å; I325-F329 WeakPolarHBondContact O-CG 3.23Å; I325-F329 PolarHBondContact O-N 2.81Å; I325-Y359 HydrophobicContact CD1-CE2 4.01Å; I325-L363 HydrophobicContact CB-CD1 4.38Å; I325-L363 HydrophobicContact CD1-CD1 3.8Å; I325-L363 HydrophobicContact CG1-CD1 3.81Å; I325-L363 HydrophobicContact CG2-CD1 3.62Å; I325-L366 HydrophobicContact CG2-CD1 4.47Å
326	E	83.1	Confident	80.7	Confident	97 Å²	97	69.6 Å²	69.6	45%	0.453	41%	0.41	S	S	.	.	H	α-helix	trans	-58.5	-47	176.7	-75.8	173.8	178.8	0	0	111.2	M322 G323 I328 F329 E330	M322-E326 WeakPolarHBondContact O-CG 3.46Å; M322-E326 PolarHBondContact O-N 2.94Å; G323-E326 PolarHBondContact O-N 3.23Å; E326-I328 VanDerWaalsContact C-N 3.27Å; E326-I328 PolarHBondContact O-N 3.4Å; E326-F329 PolarHBondContact O-N 3.32Å; E326-E330 VanDerWaalsContact O-CG 3.31Å; E326-E330 WeakPolarHBondContact O-CG 3.25Å; E326-E330 PolarHBondContact O-N 3.05Å
327	R	86.4	Confident	82.5	Confident	155 Å²	155	66.2 Å²	66.2	59%	0.585	38%	0.382	S	S	*	.	H	α-helix	trans	-61.5	-32.8	174.9	-171	179	66.8	-125.7	-5.4	113.1	G323 D324 I325 F329	G323-R327 WeakPolarHBondContact O-CB 3.23Å; G323-R327 PolarHBondContact O-N 2.83Å; D324-R327 PolarHBondContact O-N 3.44Å; D324-R327 IonicContact OD1-CZ 2.63Å; D324-R327 IonicContact OD1-NH1 2.69Å; D324-R327 PolarHBondContact OD1-NH1 3Å; D324-R327 IonicContact OD1-NH2 3.79Å; D324-R327 PolarHBondContact OD1-NH2 2.89Å; I325-R327 VanDerWaalsContact C-N 3.34Å; I325-R327 PolarHBondContact O-N 2.83Å; R327-F329 VanDerWaalsContact C-N 3.35Å
328	I	84.6	Confident	83.9	Confident	84 Å²	84	68.8 Å²	68.8	43%	0.431	40%	0.395	S	S	.	.	H	α-helix	trans	-68.1	-38.3	174.2	-71.3	161.5	0	0	0	110.3	D324 I325 E326 K332	D324-I328 WeakPolarHBondContact O-CD1 3.24Å; D324-I328 WeakPolarHBondContact O-CG1 3.41Å; D324-I328 PolarHBondContact O-N 2.85Å; I325-I328 WeakPolarHBondContact O-CB 3.28Å; I325-I328 PolarHBondContact O-N 3.42Å; I325-I328 VanDerWaalsContact O-N 3.11Å; E326-I328 VanDerWaalsContact C-N 3.27Å; E326-I328 PolarHBondContact O-N 3.4Å; I328-K332 WeakPolarHBondContact O-CD 3.42Å; I328-K332 WeakPolarHBondContact O-CE 3.5Å
329	F	86.4	Confident	85.2	Confident	10 Å²	10	71.3 Å²	71.3	4%	0.044	40%	0.398	C	S	.	.	H	α-helix	trans	-79.9	-27.3	-178.5	-62.9	-22.9	0	0	0	113.6	I325 E326 R327 G331 K332 L337 L340 L363 L366 L367 R370	I325-F329 HydrophobicContact CG2-CD2 3.71Å; I325-F329 HydrophobicContact CG2-CE1 4.26Å; I325-F329 HydrophobicContact CG2-CE2 3.16Å; I325-F329 HydrophobicContact CG2-CG 4.49Å; I325-F329 HydrophobicContact CG2-CZ 3.5Å; I325-F329 VanDerWaalsContact CG2-CZ 3.5Å; I325-F329 WeakPolarHBondContact O-CD2 3.38Å; I325-F329 WeakPolarHBondContact O-CG 3.23Å; I325-F329 PolarHBondContact O-N 2.81Å; E326-F329 PolarHBondContact O-N 3.32Å; R327-F329 VanDerWaalsContact C-N 3.35Å; F329-G331 PolarHBondContact O-N 2.92Å; F329-K332 PolarHBondContact O-N 3.08Å; F329-L337 HydrophobicContact CD1-CD2 4.24Å; F329-L340 HydrophobicContact CD1-CD2 4.11Å; F329-L340 HydrophobicContact CE1-CD2 3.64Å; F329-L363 HydrophobicContact CE1-CD1 4.24Å; F329-L363 HydrophobicContact CE2-CD1 4.34Å; F329-L363 HydrophobicContact CZ-CD1 3.53Å; F329-L363 HydrophobicContact CZ-CG 4.41Å; F329-L366 HydrophobicContact CE2-CB 4.22Å; F329-L367 HydrophobicContact CD1-CD1 4.2Å; F329-L367 HydrophobicContact CE1-CD1 3.77Å; F329-L367 HydrophobicContact CE2-CB 4.43Å; F329-L367 HydrophobicContact CZ-CB 3.91Å; F329-L367 HydrophobicContact CZ-CD1 3.96Å; F329-L367 HydrophobicContact CZ-CG 4.45Å; F329-R370 HydrophobicContact CB-CG 4.1Å; F329-R370 HydrophobicContact CD2-CB 4.42Å; F329-R370 HydrophobicContact CD2-CG 4.5Å
330	E	83.5	Confident	86.2	Confident	122 Å²	122	68.5 Å²	68.5	57%	0.57	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	127.2	177.2	-79.8	170.1	-169.4	0	0	112.2	E326 K332	E326-E330 VanDerWaalsContact O-CG 3.31Å; E326-E330 WeakPolarHBondContact O-CG 3.25Å; E326-E330 PolarHBondContact O-N 3.05Å; E330-K332 VanDerWaalsContact C-N 3.29Å; E330-K332 PolarHBondContact O-N 3.26Å
331	G	83.7	Confident	86.9	Confident	87 Å²	87	67.5 Å²	67.5	90%	0.897	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-2	175.7	0	0	0	0	0	116	F329	F329-G331 PolarHBondContact O-N 2.92Å
332	K	88.1	Confident	87.7	Confident	81 Å²	81	69.4 Å²	69.4	35%	0.352	37%	0.37	S	S	.	.			trans	-76.4	141.2	173.4	-70	-175.7	179.4	-70.9	0	111.4	I328 F329 E330 Q336 L337	I328-K332 WeakPolarHBondContact O-CD 3.42Å; I328-K332 WeakPolarHBondContact O-CE 3.5Å; F329-K332 PolarHBondContact O-N 3.08Å; E330-K332 VanDerWaalsContact C-N 3.29Å; E330-K332 PolarHBondContact O-N 3.26Å; K332-Q336 HydrophobicContact CB-CB 4.38Å; K332-L337 HydrophobicContact CB-CD2 3.89Å; K332-L337 HydrophobicContact CB-CG 4.1Å; K332-L337 HydrophobicContact CD-CD2 4.2Å
333	A	88.9	Confident	88.5	Confident	47 Å²	47	72.5 Å²	72.5	39%	0.388	38%	0.384	S	S	.	.			trans	-72.9	158.2	173.8	0	0	0	0	0	111.4	E335 Q336 L337	A333-E335 VanDerWaalsContact C-N 3.27Å; A333-E335 PolarHBondContact O-N 3.31Å; A333-Q336 HydrophobicContact CB-CG 4.37Å; A333-Q336 WeakPolarHBondContact O-CB 3.49Å; A333-Q336 PolarHBondContact O-N 3.43Å; A333-Q336 VanDerWaalsContact O-N 3.07Å; A333-L337 WeakPolarHBondContact O-CG 3.45Å; A333-L337 PolarHBondContact O-N 3.14Å
334	V	90.4	Very high	89	Confident	12 Å²	12	71 Å²	71	7%	0.073	37%	0.369	C	S	.	.	H	α-helix	trans	-54.4	-42.2	179	171.3	0	0	0	0	112.1	Q336 L337 I338 T374 Q375 Q378	V334-Q336 VanDerWaalsContact C-N 3.35Å; V334-Q336 PolarHBondContact O-N 2.81Å; V334-L337 PolarHBondContact O-N 3.37Å; V334-I338 HydrophobicContact CG1-CD1 3.8Å; V334-I338 HydrophobicContact CG1-CG1 4.39Å; V334-I338 WeakPolarHBondContact O-CG1 3.46Å; V334-I338 PolarHBondContact O-N 3.14Å; V334-T374 HydrophobicContact CG2-CG2 3.5Å; V334-Q375 HydrophobicContact CG1-CG 3.71Å; V334-Q375 HydrophobicContact CG2-CG 4Å; V334-Q378 VanDerWaalsContact CG2-CD 3.42Å; V334-Q378 HydrophobicContact CG2-CG 4.38Å; V334-Q378 VanDerWaalsContact CG2-NE2 3.33Å
335	E	91.9	Very high	89.5	Confident	153 Å²	153	70 Å²	70	72%	0.715	37%	0.365	S	S	*	.	H	α-helix	trans	-59.8	-44.5	178.1	-63.4	175.2	-179.6	0	0	111.7	A333 L337 I338 E339	A333-E335 VanDerWaalsContact C-N 3.27Å; A333-E335 PolarHBondContact O-N 3.31Å; E335-L337 VanDerWaalsContact C-N 3.3Å; E335-L337 PolarHBondContact O-N 2.97Å; E335-I338 PolarHBondContact O-N 2.89Å; E335-E339 WeakPolarHBondContact O-CG 3.45Å; E335-E339 PolarHBondContact O-N 3.33Å
336	Q	92.3	Very high	89.8	Confident	96 Å²	96	72.3 Å²	72.3	45%	0.449	39%	0.385	S	S	.	.	H	α-helix	trans	-66.2	-32.9	177.8	-62.8	176.5	-21.1	0	0	112.3	K332 A333 V334 L340	K332-Q336 HydrophobicContact CB-CB 4.38Å; A333-Q336 HydrophobicContact CB-CG 4.37Å; A333-Q336 WeakPolarHBondContact O-CB 3.49Å; A333-Q336 PolarHBondContact O-N 3.43Å; A333-Q336 VanDerWaalsContact O-N 3.07Å; V334-Q336 VanDerWaalsContact C-N 3.35Å; V334-Q336 PolarHBondContact O-N 2.81Å; Q336-L340 WeakPolarHBondContact O-CB 3.48Å; Q336-L340 PolarHBondContact O-N 3.02Å
337	L	92.4	Very high	90.1	Very high	0 Å²	0	71 Å²	71	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-71.4	-38.2	175.6	-65.7	173.3	0	0	0	111.5	F329 K332 A333 V334 E335 L340 E341 L367 R370 I371 T374	F329-L337 HydrophobicContact CD1-CD2 4.24Å; K332-L337 HydrophobicContact CB-CD2 3.89Å; K332-L337 HydrophobicContact CB-CG 4.1Å; K332-L337 HydrophobicContact CD-CD2 4.2Å; A333-L337 WeakPolarHBondContact O-CG 3.45Å; A333-L337 PolarHBondContact O-N 3.14Å; V334-L337 PolarHBondContact O-N 3.37Å; E335-L337 VanDerWaalsContact C-N 3.3Å; E335-L337 PolarHBondContact O-N 2.97Å; L337-L340 WeakPolarHBondContact O-CB 3.5Å; L337-L340 PolarHBondContact O-N 3.38Å; L337-E341 PolarHBondContact O-N 2.79Å; L337-L367 HydrophobicContact CB-CD1 4.18Å; L337-L367 HydrophobicContact CD2-CD1 3.82Å; L337-R370 HydrophobicContact CD1-CG 4.1Å; L337-I371 HydrophobicContact CB-CD1 4.22Å; L337-I371 HydrophobicContact CB-CG1 3.57Å; L337-I371 HydrophobicContact CD1-CG1 4.33Å; L337-T374 HydrophobicContact CD1-CG2 4.43Å
338	I	92.6	Very high	90.2	Very high	69 Å²	69	65.7 Å²	65.7	35%	0.354	36%	0.36	S	S	.	.	H	α-helix	trans	-65.8	-44.2	174.8	-67.1	166.1	0	0	0	110.4	V334 E335 L340 E341 T342 I371	V334-I338 HydrophobicContact CG1-CD1 3.8Å; V334-I338 HydrophobicContact CG1-CG1 4.39Å; V334-I338 WeakPolarHBondContact O-CG1 3.46Å; V334-I338 PolarHBondContact O-N 3.14Å; E335-I338 PolarHBondContact O-N 2.89Å; I338-L340 VanDerWaalsContact C-N 3.27Å; I338-L340 PolarHBondContact O-N 2.87Å; I338-E341 WeakPolarHBondContact O-CB 3.41Å; I338-E341 PolarHBondContact O-N 2.92Å; I338-T342 WeakPolarHBondContact O-CG2 3.35Å; I338-T342 PolarHBondContact O-N 2.74Å; I338-I371 HydrophobicContact CG1-CG2 4.46Å
339	E	94.1	Very high	90.5	Very high	129 Å²	129	67.5 Å²	67.5	60%	0.603	37%	0.371	S	S	*	.	H	α-helix	trans	-57.2	-44.2	173.2	-73.1	176.6	179.8	0	0	111.1	E335 E341 T342 H343	E335-E339 WeakPolarHBondContact O-CG 3.45Å; E335-E339 PolarHBondContact O-N 3.33Å; E339-E341 VanDerWaalsContact C-N 3.3Å; E339-E341 PolarHBondContact O-N 2.83Å; E339-T342 PolarHBondContact O-N 3.39Å; E339-T342 PolarHBondContact O-OG1 2.82Å; E339-H343 PolarHBondContact O-N 3.09Å
340	L	92.7	Very high	90.5	Very high	47 Å²	47	70.5 Å²	70.5	25%	0.246	39%	0.393	C	S	.	.	H	α-helix	trans	-62.4	-37.6	175.3	-171.3	63.7	0	0	0	111.9	F329 Q336 L337 I338 H343 V344 L367	F329-L340 HydrophobicContact CD1-CD2 4.11Å; F329-L340 HydrophobicContact CE1-CD2 3.64Å; Q336-L340 WeakPolarHBondContact O-CB 3.48Å; Q336-L340 PolarHBondContact O-N 3.02Å; L337-L340 WeakPolarHBondContact O-CB 3.5Å; L337-L340 PolarHBondContact O-N 3.38Å; I338-L340 VanDerWaalsContact C-N 3.27Å; I338-L340 PolarHBondContact O-N 2.87Å; L340-H343 PolarHBondContact O-N 3Å; L340-V344 WeakPolarHBondContact O-CB 3.16Å; L340-V344 VanDerWaalsContact O-CG2 3.28Å; L340-V344 WeakPolarHBondContact O-CG2 3.17Å; L340-V344 PolarHBondContact O-N 3.41Å; L340-L367 HydrophobicContact CB-CD2 4.16Å; L340-L367 HydrophobicContact CD2-CD1 4.19Å; L340-L367 HydrophobicContact CD2-CD2 4.26Å; L340-L367 HydrophobicContact CG-CD2 3.97Å
341	E	92.4	Very high	90.2	Very high	43 Å²	43	68.2 Å²	68.2	20%	0.201	40%	0.395	C	S	.	.	H	α-helix	trans	-62.5	-49	175.9	-175.5	-178.8	-169.1	0	0	110.4	L337 I338 E339 H343 V344 V345 L364 L367 R368 I371	L337-E341 PolarHBondContact O-N 2.79Å; I338-E341 WeakPolarHBondContact O-CB 3.41Å; I338-E341 PolarHBondContact O-N 2.92Å; E339-E341 VanDerWaalsContact C-N 3.3Å; E339-E341 PolarHBondContact O-N 2.83Å; E341-H343 VanDerWaalsContact C-N 3.25Å; E341-H343 PolarHBondContact O-N 2.84Å; E341-V344 PolarHBondContact O-N 2.78Å; E341-V344 VanDerWaalsContact O-N 3.17Å; E341-V345 HydrophobicContact CG-CG2 4.31Å; E341-V345 WeakPolarHBondContact O-CG2 3.34Å; E341-V345 PolarHBondContact O-N 3.18Å; E341-L364 HydrophobicContact CG-CD1 3.68Å; E341-L367 VanDerWaalsContact CA-CD2 3.46Å; E341-L367 HydrophobicContact CB-CD2 3.84Å; E341-L367 HydrophobicContact CB-CG 4.4Å; E341-R368 WeakPolarHBondContact OE1-CG 3.39Å; E341-R368 IonicContact OE1-CZ 3.23Å; E341-R368 IonicContact OE1-NE 3.7Å; E341-R368 PolarHBondContact OE1-NE 3.4Å; E341-R368 IonicContact OE1-NH2 3.95Å; E341-I371 HydrophobicContact CB-CD1 3.98Å; E341-I371 WeakPolarHBondContact OE2-CD1 3.46Å
342	T	94.1	Very high	90	Very high	88 Å²	88	70.4 Å²	70.4	54%	0.54	38%	0.382	S	S	.	.	H	α-helix	trans	-59.3	-38.9	178.7	62.8	0	0	0	0	112	I338 E339 A346	I338-T342 WeakPolarHBondContact O-CG2 3.35Å; I338-T342 PolarHBondContact O-N 2.74Å; E339-T342 PolarHBondContact O-N 3.39Å; E339-T342 PolarHBondContact O-OG1 2.82Å; T342-A346 WeakPolarHBondContact O-CB 3.06Å; T342-A346 PolarHBondContact O-N 3.07Å
343	H	92.8	Very high	89.5	Confident	96 Å²	96	74.5 Å²	74.5	44%	0.444	41%	0.408	S	S	.	.	H	α-helix	trans	-71	-38.2	177.5	178.2	-105.8	0	0	0	112.8	E339 L340 E341 K347	E339-H343 PolarHBondContact O-N 3.09Å; L340-H343 PolarHBondContact O-N 3Å; E341-H343 VanDerWaalsContact C-N 3.25Å; E341-H343 PolarHBondContact O-N 2.84Å; H343-K347 WeakPolarHBondContact CE1-CE 3.21Å; H343-K347 WeakPolarHBondContact O-CG 3.44Å; H343-K347 PolarHBondContact O-N 2.95Å; H343-K347 VanDerWaalsContact O-N 3.08Å
344	V	91.4	Very high	89.1	Confident	1 Å²	1	76.3 Å²	76.3	1%	0.006	43%	0.431	C	S	.	.	H	α-helix	trans	-66.1	-43.5	174.3	169.3	0	0	0	0	110.9	L340 E341 K347 I348 W360 L363 L364 L367	L340-V344 WeakPolarHBondContact O-CB 3.16Å; L340-V344 VanDerWaalsContact O-CG2 3.28Å; L340-V344 WeakPolarHBondContact O-CG2 3.17Å; L340-V344 PolarHBondContact O-N 3.41Å; E341-V344 PolarHBondContact O-N 2.78Å; E341-V344 VanDerWaalsContact O-N 3.17Å; V344-K347 WeakPolarHBondContact O-CB 3.42Å; V344-K347 PolarHBondContact O-N 3.41Å; V344-I348 HydrophobicContact CG1-CD1 4.05Å; V344-I348 WeakPolarHBondContact O-CG1 3.44Å; V344-I348 PolarHBondContact O-N 3.19Å; V344-W360 HydrophobicContact CG1-CE3 4.09Å; V344-W360 HydrophobicContact CG2-CE3 4.17Å; V344-W360 HydrophobicContact CG2-CZ3 4.12Å; V344-L363 HydrophobicContact CG2-CD2 3.87Å; V344-L364 HydrophobicContact CG1-CB 3.93Å; V344-L364 HydrophobicContact CG1-CD1 4.28Å; V344-L367 HydrophobicContact CG2-CD2 4.48Å
345	V	93.4	Very high	88.7	Confident	47 Å²	47	78.3 Å²	78.3	29%	0.285	44%	0.441	S	S	.	.	H	α-helix	trans	-61.4	-46.7	175.9	172.3	0	0	0	0	110.7	E341 K347 I348 D349 L364	E341-V345 HydrophobicContact CG-CG2 4.31Å; E341-V345 WeakPolarHBondContact O-CG2 3.34Å; E341-V345 PolarHBondContact O-N 3.18Å; V345-K347 PolarHBondContact O-N 3.5Å; V345-I348 PolarHBondContact O-N 3.25Å; V345-I348 VanDerWaalsContact O-N 3.09Å; V345-D349 PolarHBondContact O-N 3.38Å; V345-L364 HydrophobicContact CG2-CD1 3.82Å; V345-L364 HydrophobicContact CG2-CD2 4.09Å
346	A	91.4	Very high	88.2	Confident	54 Å²	54	75 Å²	75	45%	0.446	43%	0.429	S	S	.	.	H	α-helix	trans	-59.4	-34.3	176.8	0	0	0	0	0	113	T342 S350	T342-A346 WeakPolarHBondContact O-CB 3.06Å; T342-A346 PolarHBondContact O-N 3.07Å; A346-S350 WeakPolarHBondContact O-CB 3.29Å; A346-S350 PolarHBondContact O-N 3.11Å; A346-S350 PolarHBondContact O-OG 2.79Å
347	K	88.7	Confident	87.8	Confident	71 Å²	71	74.8 Å²	74.8	31%	0.309	43%	0.43	S	S	.	.	H	α-helix	trans	-70.5	-36.1	174.8	-80.9	-175.6	168.7	-172.4	0	113.6	H343 V344 V345 S350 W360	H343-K347 WeakPolarHBondContact CE1-CE 3.21Å; H343-K347 WeakPolarHBondContact O-CG 3.44Å; H343-K347 PolarHBondContact O-N 2.95Å; H343-K347 VanDerWaalsContact O-N 3.08Å; V344-K347 WeakPolarHBondContact O-CB 3.42Å; V344-K347 PolarHBondContact O-N 3.41Å; V345-K347 PolarHBondContact O-N 3.5Å; K347-S350 WeakPolarHBondContact CA-OG 3.34Å; K347-S350 PolarHBondContact O-OG 3.17Å; K347-W360 HydrophobicContact CD-CE3 4.48Å; K347-W360 HydrophobicContact CD-CH2 3.7Å; K347-W360 HydrophobicContact CD-CZ2 3.94Å; K347-W360 HydrophobicContact CD-CZ3 3.98Å
348	I	89.4	Confident	87.4	Confident	42 Å²	42	76.9 Å²	76.9	22%	0.215	45%	0.447	C	S	.	.	H	α-helix	trans	-67.2	-44	174.7	-66.7	166.1	0	0	0	109.3	V344 V345 S350 A351 W360 L364	V344-I348 HydrophobicContact CG1-CD1 4.05Å; V344-I348 WeakPolarHBondContact O-CG1 3.44Å; V344-I348 PolarHBondContact O-N 3.19Å; V345-I348 PolarHBondContact O-N 3.25Å; V345-I348 VanDerWaalsContact O-N 3.09Å; I348-S350 PolarHBondContact O-N 2.96Å; I348-A351 PolarHBondContact O-N 2.81Å; I348-W360 HydrophobicContact CD1-CB 4.03Å; I348-W360 HydrophobicContact CG1-CB 3.68Å; I348-L364 HydrophobicContact CD1-CB 4.33Å; I348-L364 HydrophobicContact CD1-CD2 3.88Å
349	D	89.6	Confident	87.1	Confident	123 Å²	123	76.5 Å²	76.5	66%	0.658	44%	0.441	S	S	*	.	H	α-helix	trans	-69.1	-31	-179.7	-70.4	-19.2	0	0	0	113.4	V345 A351	V345-D349 PolarHBondContact O-N 3.38Å; D349-A351 PolarHBondContact O-N 2.78Å; D349-A351 VanDerWaalsContact O-N 3.17Å
350	S	87.3	Confident	86.7	Confident	72 Å²	72	72.2 Å²	72.2	50%	0.503	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.2	178.5	57.5	0	0	0	0	114	A346 K347 I348 E352	A346-S350 WeakPolarHBondContact O-CB 3.29Å; A346-S350 PolarHBondContact O-N 3.11Å; A346-S350 PolarHBondContact O-OG 2.79Å; K347-S350 WeakPolarHBondContact CA-OG 3.34Å; K347-S350 PolarHBondContact O-OG 3.17Å; I348-S350 PolarHBondContact O-N 2.96Å; S350-E352 PolarHBondContact O-N 2.86Å
351	A	77.3	Confident	86.5	Confident	75 Å²	75	75.2 Å²	75.2	62%	0.62	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.2	42.7	176	0	0	0	0	0	113.6	I348 D349	I348-A351 PolarHBondContact O-N 2.81Å; D349-A351 PolarHBondContact O-N 2.78Å; D349-A351 VanDerWaalsContact O-N 3.17Å
352	E	79.9	Confident	86.2	Confident	132 Å²	132	74 Å²	74	62%	0.617	43%	0.427	S	S	*	.			trans	-68.8	133.4	-177.7	-170.3	178	-168.4	0	0	110.4	S350 G354 L355	S350-E352 PolarHBondContact O-N 2.86Å; E352-G354 PolarHBondContact O-N 2.75Å; E352-G354 VanDerWaalsContact O-N 3.16Å; E352-L355 HydrophobicContact CB-CD1 3.66Å; E352-L355 HydrophobicContact CB-CG 4.03Å; E352-L355 PolarHBondContact O-N 3.46Å
353	D	76.8	Confident	86	Confident	168 Å²	168	70.5 Å²	70.5	90%	0.898	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	116	-177.7	-76.3	-31.1	0	0	0	110.9
354	G	79.8	Confident	85.9	Confident	85 Å²	85	66.9 Å²	66.9	88%	0.876	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.6	0	178.1	0	0	0	0	0	115.4	E352	E352-G354 PolarHBondContact O-N 2.75Å; E352-G354 VanDerWaalsContact O-N 3.16Å
355	L	82.4	Confident	85.8	Confident	53 Å²	53	68.5 Å²	68.5	28%	0.277	40%	0.4	S	S	.	.			trans	-74.7	132.7	170.4	-65.6	176.7	0	0	0	111.3	E352 I357	E352-L355 HydrophobicContact CB-CD1 3.66Å; E352-L355 HydrophobicContact CB-CG 4.03Å; E352-L355 PolarHBondContact O-N 3.46Å; L355-I357 PolarHBondContact O-N 2.63Å
356	D	81.6	Confident	85.6	Confident	85 Å²	85	67.7 Å²	67.7	46%	0.455	39%	0.394	S	S	.	.			trans	-75.3	93.3	168.2	-177.3	-5.4	0	0	0	109.6	A358 Y359 W360	D356-A358 PolarHBondContact O-N 3.38Å; D356-A358 WeakPolarHBondContact OD1-CB 3.29Å; D356-A358 PolarHBondContact OD1-N 2.92Å; D356-Y359 WeakPolarHBondContact O-CB 3.38Å; D356-Y359 PolarHBondContact O-N 3.3Å; D356-Y359 PolarHBondContact OD1-N 2.96Å; D356-Y359 VanDerWaalsContact OD1-N 3.12Å; D356-W360 PolarHBondContact O-N 3.2Å
357	I	84.6	Confident	85.6	Confident	91 Å²	91	65.1 Å²	65.1	47%	0.467	37%	0.373	S	S	.	.	H	α-helix	trans	-57.3	-36.8	179.2	-60.3	171.2	0	0	0	110.6	L355 Y359 W360 E361	L355-I357 PolarHBondContact O-N 2.63Å; I357-Y359 PolarHBondContact O-N 3.13Å; I357-W360 PolarHBondContact O-N 3.37Å; I357-E361 HydrophobicContact CG2-CG 4.06Å; I357-E361 WeakPolarHBondContact O-CB 2.87Å; I357-E361 VanDerWaalsContact O-CG 3.31Å; I357-E361 WeakPolarHBondContact O-CG 3.37Å; I357-E361 PolarHBondContact O-N 2.79Å
358	A	83	Confident	85.9	Confident	44 Å²	44	67.3 Å²	67.3	36%	0.364	38%	0.379	S	S	.	.	H	α-helix	trans	-67.5	-38.6	-179.1	0	0	0	0	0	111.9	D356 L362	D356-A358 PolarHBondContact O-N 3.38Å; D356-A358 WeakPolarHBondContact OD1-CB 3.29Å; D356-A358 PolarHBondContact OD1-N 2.92Å; A358-L362 WeakPolarHBondContact O-CB 3.21Å; A358-L362 PolarHBondContact O-N 2.93Å
359	Y	85.6	Confident	86.1	Confident	60 Å²	60	66.5 Å²	66.5	24%	0.235	38%	0.376	C	S	.	.	H	α-helix	trans	-59.8	-47.6	171.1	168.2	-96.9	0	0	0	111.8	V317 V321 I325 D356 I357 L362 L363	V317-Y359 HydrophobicContact CG1-CD2 4.21Å; V317-Y359 HydrophobicContact CG2-CD2 4.11Å; V321-Y359 HydrophobicContact CG1-CD2 4.29Å; V321-Y359 HydrophobicContact CG1-CE2 3.56Å; I325-Y359 HydrophobicContact CD1-CE2 4.01Å; D356-Y359 WeakPolarHBondContact O-CB 3.38Å; D356-Y359 PolarHBondContact O-N 3.3Å; D356-Y359 PolarHBondContact OD1-N 2.96Å; D356-Y359 VanDerWaalsContact OD1-N 3.12Å; I357-Y359 PolarHBondContact O-N 3.13Å; Y359-L362 PolarHBondContact O-N 3.1Å; Y359-L363 HydrophobicContact CE1-CD2 4.35Å; Y359-L363 WeakPolarHBondContact O-CB 3.49Å; Y359-L363 PolarHBondContact O-N 2.89Å
360	W	87.6	Confident	86.2	Confident	40 Å²	40	64.6 Å²	64.6	15%	0.152	36%	0.36	C	S	.	.	H	α-helix	trans	-69.1	-36.7	-179.2	-68.4	109.6	0	0	0	112.8	V344 K347 I348 D356 I357 L363 L364	V344-W360 HydrophobicContact CG1-CE3 4.09Å; V344-W360 HydrophobicContact CG2-CE3 4.17Å; V344-W360 HydrophobicContact CG2-CZ3 4.12Å; K347-W360 HydrophobicContact CD-CE3 4.48Å; K347-W360 HydrophobicContact CD-CH2 3.7Å; K347-W360 HydrophobicContact CD-CZ2 3.94Å; K347-W360 HydrophobicContact CD-CZ3 3.98Å; I348-W360 HydrophobicContact CD1-CB 4.03Å; I348-W360 HydrophobicContact CG1-CB 3.68Å; D356-W360 PolarHBondContact O-N 3.2Å; I357-W360 PolarHBondContact O-N 3.37Å; W360-L363 HydrophobicContact CE3-CD2 3.67Å; W360-L363 HydrophobicContact CZ3-CD2 3.63Å; W360-L363 PolarHBondContact O-N 3.01Å; W360-L364 VanDerWaalsContact O-CB 3.29Å; W360-L364 WeakPolarHBondContact O-CB 3.09Å; W360-L364 PolarHBondContact O-N 3.03Å
361	E	87.8	Confident	86.5	Confident	110 Å²	110	61.7 Å²	61.7	51%	0.514	34%	0.338	S	S	.	.	H	α-helix	trans	-64.9	-42.1	173.4	-76	-179	168.2	0	0	111.8	I357 L364 S365	I357-E361 HydrophobicContact CG2-CG 4.06Å; I357-E361 WeakPolarHBondContact O-CB 2.87Å; I357-E361 VanDerWaalsContact O-CG 3.31Å; I357-E361 WeakPolarHBondContact O-CG 3.37Å; I357-E361 PolarHBondContact O-N 2.79Å; E361-L364 PolarHBondContact O-N 3.49Å; E361-S365 WeakPolarHBondContact O-CB 3.37Å; E361-S365 PolarHBondContact O-N 3.29Å
362	L	85.7	Confident	87.3	Confident	18 Å²	18	58.2 Å²	58.2	9%	0.094	31%	0.31	C	S	.	.	H	α-helix	trans	-63	-47.4	174	178.5	61.5	0	0	0	110.6	R314 V317 M322 A358 Y359 L364 S365 L366	R314-L362 HydrophobicContact CB-CD2 4.5Å; R314-L362 HydrophobicContact CG-CD1 3.81Å; R314-L362 HydrophobicContact CG-CD2 4.37Å; V317-L362 HydrophobicContact CB-CD2 3.78Å; V317-L362 HydrophobicContact CG1-CD2 4.33Å; V317-L362 HydrophobicContact CG2-CD2 3.66Å; M322-L362 HydrophobicContact CE-CD2 3.81Å; A358-L362 WeakPolarHBondContact O-CB 3.21Å; A358-L362 PolarHBondContact O-N 2.93Å; Y359-L362 PolarHBondContact O-N 3.1Å; L362-L364 VanDerWaalsContact C-N 3.31Å; L362-L364 PolarHBondContact O-N 3.04Å; L362-S365 PolarHBondContact O-N 3.12Å; L362-S365 VanDerWaalsContact O-N 3.16Å; L362-S365 PolarHBondContact O-OG 3.12Å; L362-L366 HydrophobicContact CD1-CD1 4.3Å; L362-L366 HydrophobicContact CD1-CG 4.29Å; L362-L366 HydrophobicContact CG-CD1 4.19Å; L362-L366 WeakPolarHBondContact O-CG 3.42Å; L362-L366 PolarHBondContact O-N 2.99Å
363	L	89.8	Confident	87.9	Confident	13 Å²	13	53 Å²	53	7%	0.068	29%	0.287	C	S	.	.	H	α-helix	trans	-57.5	-44.8	176.7	-177	68.5	0	0	0	111.2	I325 F329 V344 Y359 W360 S365 L366 L367	I325-L363 HydrophobicContact CB-CD1 4.38Å; I325-L363 HydrophobicContact CD1-CD1 3.8Å; I325-L363 HydrophobicContact CG1-CD1 3.81Å; I325-L363 HydrophobicContact CG2-CD1 3.62Å; F329-L363 HydrophobicContact CE1-CD1 4.24Å; F329-L363 HydrophobicContact CE2-CD1 4.34Å; F329-L363 HydrophobicContact CZ-CD1 3.53Å; F329-L363 HydrophobicContact CZ-CG 4.41Å; V344-L363 HydrophobicContact CG2-CD2 3.87Å; Y359-L363 HydrophobicContact CE1-CD2 4.35Å; Y359-L363 WeakPolarHBondContact O-CB 3.49Å; Y359-L363 PolarHBondContact O-N 2.89Å; W360-L363 HydrophobicContact CE3-CD2 3.67Å; W360-L363 HydrophobicContact CZ3-CD2 3.63Å; W360-L363 PolarHBondContact O-N 3.01Å; L363-S365 PolarHBondContact O-N 3.42Å; L363-L366 PolarHBondContact O-N 2.69Å; L363-L367 WeakPolarHBondContact O-CB 3.49Å; L363-L367 PolarHBondContact O-N 3.31Å
364	L	90.5	Very high	88.7	Confident	20 Å²	20	46.2 Å²	46.2	11%	0.105	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-43.1	176.7	-179.4	61.1	0	0	0	111.5	E341 V344 V345 I348 W360 E361 L362 L367 R368	E341-L364 HydrophobicContact CG-CD1 3.68Å; V344-L364 HydrophobicContact CG1-CB 3.93Å; V344-L364 HydrophobicContact CG1-CD1 4.28Å; V345-L364 HydrophobicContact CG2-CD1 3.82Å; V345-L364 HydrophobicContact CG2-CD2 4.09Å; I348-L364 HydrophobicContact CD1-CB 4.33Å; I348-L364 HydrophobicContact CD1-CD2 3.88Å; W360-L364 VanDerWaalsContact O-CB 3.29Å; W360-L364 WeakPolarHBondContact O-CB 3.09Å; W360-L364 PolarHBondContact O-N 3.03Å; E361-L364 PolarHBondContact O-N 3.49Å; L362-L364 VanDerWaalsContact C-N 3.31Å; L362-L364 PolarHBondContact O-N 3.04Å; L364-L367 PolarHBondContact O-N 2.84Å; L364-R368 HydrophobicContact CD1-CG 4.47Å; L364-R368 WeakPolarHBondContact O-CG 3.29Å; L364-R368 PolarHBondContact O-N 3.24Å
365	S	89.6	Confident	89.3	Confident	35 Å²	35	44.4 Å²	44.4	25%	0.245	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-45.3	178.4	74.3	0	0	0	0	112.2	E361 L362 L363 R368 V369	E361-S365 WeakPolarHBondContact O-CB 3.37Å; E361-S365 PolarHBondContact O-N 3.29Å; L362-S365 PolarHBondContact O-N 3.12Å; L362-S365 VanDerWaalsContact O-N 3.16Å; L362-S365 PolarHBondContact O-OG 3.12Å; L363-S365 PolarHBondContact O-N 3.42Å; S365-R368 PolarHBondContact O-N 2.84Å; S365-V369 WeakPolarHBondContact O-CG2 3.26Å; S365-V369 PolarHBondContact O-N 2.82Å
366	L	89.9	Confident	89.8	Confident	30 Å²	30	41.9 Å²	41.9	16%	0.157	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-39	176.6	-68.2	174.3	0	0	0	111.8	M322 I325 F329 L362 L363 V369 R370	M322-L366 HydrophobicContact CE-CD1 4.26Å; I325-L366 HydrophobicContact CG2-CD1 4.47Å; F329-L366 HydrophobicContact CE2-CB 4.22Å; L362-L366 HydrophobicContact CD1-CD1 4.3Å; L362-L366 HydrophobicContact CD1-CG 4.29Å; L362-L366 HydrophobicContact CG-CD1 4.19Å; L362-L366 WeakPolarHBondContact O-CG 3.42Å; L362-L366 PolarHBondContact O-N 2.99Å; L363-L366 PolarHBondContact O-N 2.69Å; L366-V369 PolarHBondContact O-N 3.16Å; L366-R370 WeakPolarHBondContact O-CB 3.43Å; L366-R370 PolarHBondContact O-N 3.46Å
367	L	91.7	Very high	90.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.3	-44	178	-179	57.3	0	0	0	111.3	F329 L337 L340 E341 V344 L363 L364 V369 R370 I371	F329-L367 HydrophobicContact CD1-CD1 4.2Å; F329-L367 HydrophobicContact CE1-CD1 3.77Å; F329-L367 HydrophobicContact CE2-CB 4.43Å; F329-L367 HydrophobicContact CZ-CB 3.91Å; F329-L367 HydrophobicContact CZ-CD1 3.96Å; F329-L367 HydrophobicContact CZ-CG 4.45Å; L337-L367 HydrophobicContact CB-CD1 4.18Å; L337-L367 HydrophobicContact CD2-CD1 3.82Å; L340-L367 HydrophobicContact CB-CD2 4.16Å; L340-L367 HydrophobicContact CD2-CD1 4.19Å; L340-L367 HydrophobicContact CD2-CD2 4.26Å; L340-L367 HydrophobicContact CG-CD2 3.97Å; E341-L367 VanDerWaalsContact CA-CD2 3.46Å; E341-L367 HydrophobicContact CB-CD2 3.84Å; E341-L367 HydrophobicContact CB-CG 4.4Å; V344-L367 HydrophobicContact CG2-CD2 4.48Å; L363-L367 WeakPolarHBondContact O-CB 3.49Å; L363-L367 PolarHBondContact O-N 3.31Å; L364-L367 PolarHBondContact O-N 2.84Å; L367-V369 VanDerWaalsContact C-N 3.35Å; L367-V369 PolarHBondContact O-N 3.35Å; L367-R370 PolarHBondContact O-N 2.72Å; L367-I371 HydrophobicContact CD1-CD1 4.19Å; L367-I371 HydrophobicContact CD1-CG1 4.29Å; L367-I371 HydrophobicContact CG-CD1 3.94Å; L367-I371 HydrophobicContact CG-CG1 4.48Å; L367-I371 VanDerWaalsContact O-CG1 3.25Å; L367-I371 WeakPolarHBondContact O-CG1 3.49Å; L367-I371 PolarHBondContact O-N 2.78Å
368	R	94.1	Very high	90.6	Very high	118 Å²	118	39.9 Å²	39.9	45%	0.445	20%	0.195	S	C	.	.	H	α-helix	trans	-60.1	-43.3	175.3	-76.4	176	172.9	173	2.3	112.5	V294 E341 L364 S365 I371 A372	V294-R368 HydrophobicContact CG1-CB 4.37Å; E341-R368 WeakPolarHBondContact OE1-CG 3.39Å; E341-R368 IonicContact OE1-CZ 3.23Å; E341-R368 IonicContact OE1-NE 3.7Å; E341-R368 PolarHBondContact OE1-NE 3.4Å; E341-R368 IonicContact OE1-NH2 3.95Å; L364-R368 HydrophobicContact CD1-CG 4.47Å; L364-R368 WeakPolarHBondContact O-CG 3.29Å; L364-R368 PolarHBondContact O-N 3.24Å; S365-R368 PolarHBondContact O-N 2.84Å; R368-I371 PolarHBondContact O-N 2.95Å; R368-A372 WeakPolarHBondContact O-CB 3.42Å; R368-A372 PolarHBondContact O-N 3.07Å
369	V	92.8	Very high	90.9	Very high	25 Å²	25	40.3 Å²	40.3	15%	0.152	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-45.1	175.6	176.4	0	0	0	0	110.4	V294 D298 S365 L366 L367 I371 A372 V373	V294-V369 HydrophobicContact CG1-CG2 4.05Å; D298-V369 HydrophobicContact CB-CG1 4.4Å; D298-V369 HydrophobicContact CB-CG2 3.37Å; S365-V369 WeakPolarHBondContact O-CG2 3.26Å; S365-V369 PolarHBondContact O-N 2.82Å; L366-V369 PolarHBondContact O-N 3.16Å; L367-V369 VanDerWaalsContact C-N 3.35Å; L367-V369 PolarHBondContact O-N 3.35Å; V369-I371 PolarHBondContact O-N 2.77Å; V369-A372 PolarHBondContact O-N 3.48Å; V369-V373 HydrophobicContact CG1-CG2 4.39Å; V369-V373 WeakPolarHBondContact O-CG2 3.01Å; V369-V373 PolarHBondContact O-N 3.47Å
370	R	91.7	Very high	91.1	Very high	83 Å²	83	38.2 Å²	38.2	31%	0.313	18%	0.183	S	C	.	.	H	α-helix	trans	-64.1	-41.5	177.5	-177.9	65.5	75.4	-178.1	6.9	112.2	F329 L337 L366 L367 A372 V373 T374	F329-R370 HydrophobicContact CB-CG 4.1Å; F329-R370 HydrophobicContact CD2-CB 4.42Å; F329-R370 HydrophobicContact CD2-CG 4.5Å; L337-R370 HydrophobicContact CD1-CG 4.1Å; L366-R370 WeakPolarHBondContact O-CB 3.43Å; L366-R370 PolarHBondContact O-N 3.46Å; L367-R370 PolarHBondContact O-N 2.72Å; R370-A372 VanDerWaalsContact C-N 3.35Å; R370-V373 PolarHBondContact O-N 3.3Å; R370-T374 VanDerWaalsContact O-CB 3.3Å; R370-T374 WeakPolarHBondContact O-CB 3.28Å; R370-T374 PolarHBondContact O-N 2.97Å; R370-T374 PolarHBondContact O-OG1 3.28Å
371	I	93.5	Very high	91.1	Very high	10 Å²	10	42 Å²	42	5%	0.051	20%	0.202	C	C	.	.	H	α-helix	trans	-57.9	-50.3	174.7	-71.3	164.4	0	0	0	109.5	L337 I338 E341 L367 R368 V369 V373 T374 Q375	L337-I371 HydrophobicContact CB-CD1 4.22Å; L337-I371 HydrophobicContact CB-CG1 3.57Å; L337-I371 HydrophobicContact CD1-CG1 4.33Å; I338-I371 HydrophobicContact CG1-CG2 4.46Å; E341-I371 HydrophobicContact CB-CD1 3.98Å; E341-I371 WeakPolarHBondContact OE2-CD1 3.46Å; L367-I371 HydrophobicContact CD1-CD1 4.19Å; L367-I371 HydrophobicContact CD1-CG1 4.29Å; L367-I371 HydrophobicContact CG-CD1 3.94Å; L367-I371 HydrophobicContact CG-CG1 4.48Å; L367-I371 VanDerWaalsContact O-CG1 3.25Å; L367-I371 WeakPolarHBondContact O-CG1 3.49Å; L367-I371 PolarHBondContact O-N 2.78Å; R368-I371 PolarHBondContact O-N 2.95Å; V369-I371 PolarHBondContact O-N 2.77Å; I371-V373 PolarHBondContact O-N 3.09Å; I371-T374 PolarHBondContact O-N 3.08Å; I371-Q375 HydrophobicContact CG2-CG 4.41Å; I371-Q375 WeakPolarHBondContact O-CB 3.24Å; I371-Q375 VanDerWaalsContact O-CG 3.32Å; I371-Q375 WeakPolarHBondContact O-CG 3.37Å; I371-Q375 PolarHBondContact O-N 3.42Å
372	A	94.4	Very high	91.2	Very high	2 Å²	2	43 Å²	43	2%	0.017	21%	0.205	C	C	.	.	H	α-helix	trans	-58.4	-49.4	179	0	0	0	0	0	111.9	N291 V294 V295 R368 V369 R370 T374 Q375 L376	N291-A372 HydrophobicContact CB-CB 3.95Å; V294-A372 HydrophobicContact CB-CB 3.99Å; V294-A372 HydrophobicContact CG1-CB 3.97Å; V295-A372 HydrophobicContact CG2-CB 4.31Å; R368-A372 WeakPolarHBondContact O-CB 3.42Å; R368-A372 PolarHBondContact O-N 3.07Å; V369-A372 PolarHBondContact O-N 3.48Å; R370-A372 VanDerWaalsContact C-N 3.35Å; A372-T374 PolarHBondContact O-N 2.9Å; A372-Q375 PolarHBondContact O-N 2.89Å; A372-L376 VanDerWaalsContact O-CG 3.28Å; A372-L376 WeakPolarHBondContact O-CG 3.4Å; A372-L376 PolarHBondContact O-N 2.88Å
373	V	93.4	Very high	91.2	Very high	23 Å²	23	43.2 Å²	43.2	14%	0.139	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-43.2	177.2	173	0	0	0	0	111.4	Q256 V295 V369 R370 I371 Q375 L376 L377	Q256-V373 HydrophobicContact CB-CG2 4.48Å; Q256-V373 HydrophobicContact CG-CG1 4.26Å; V295-V373 HydrophobicContact CG2-CG2 3.75Å; V369-V373 HydrophobicContact CG1-CG2 4.39Å; V369-V373 WeakPolarHBondContact O-CG2 3.01Å; V369-V373 PolarHBondContact O-N 3.47Å; R370-V373 PolarHBondContact O-N 3.3Å; I371-V373 PolarHBondContact O-N 3.09Å; V373-Q375 VanDerWaalsContact C-N 3.34Å; V373-Q375 PolarHBondContact O-N 3.45Å; V373-L376 PolarHBondContact O-N 3.16Å; V373-L377 HydrophobicContact CG1-CD1 4.02Å; V373-L377 HydrophobicContact CG1-CG 4.35Å; V373-L377 WeakPolarHBondContact O-CB 3.39Å; V373-L377 VanDerWaalsContact O-CG 3.32Å; V373-L377 WeakPolarHBondContact O-CG 3.43Å; V373-L377 PolarHBondContact O-N 3.42Å
374	T	92.5	Very high	90.9	Very high	26 Å²	26	43.6 Å²	43.6	16%	0.16	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-38.7	-179.9	-49.8	0	0	0	0	111.1	V334 L337 R370 I371 A372 L377 Q378	V334-T374 HydrophobicContact CG2-CG2 3.5Å; L337-T374 HydrophobicContact CD1-CG2 4.43Å; R370-T374 VanDerWaalsContact O-CB 3.3Å; R370-T374 WeakPolarHBondContact O-CB 3.28Å; R370-T374 PolarHBondContact O-N 2.97Å; R370-T374 PolarHBondContact O-OG1 3.28Å; I371-T374 PolarHBondContact O-N 3.08Å; A372-T374 PolarHBondContact O-N 2.9Å; T374-L377 PolarHBondContact O-N 2.83Å; T374-Q378 WeakPolarHBondContact O-CG 3.4Å; T374-Q378 PolarHBondContact O-N 3.24Å
375	Q	93.4	Very high	90.6	Very high	47 Å²	47	49.5 Å²	49.5	22%	0.22	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-42.2	173.3	-73.7	179.8	3.4	0	0	111.8	N291 V334 I371 A372 V373 L377 Q378 L379	N291-Q375 WeakPolarHBondContact ND2-CB 3.24Å; N291-Q375 PolarHBondContact ND2-OE1 2.81Å; N291-Q375 PolarHBondContact OD1-OE1 3.23Å; N291-Q375 VanDerWaalsContact OD1-OE1 3.08Å; V334-Q375 HydrophobicContact CG1-CG 3.71Å; V334-Q375 HydrophobicContact CG2-CG 4Å; I371-Q375 HydrophobicContact CG2-CG 4.41Å; I371-Q375 WeakPolarHBondContact O-CB 3.24Å; I371-Q375 VanDerWaalsContact O-CG 3.32Å; I371-Q375 WeakPolarHBondContact O-CG 3.37Å; I371-Q375 PolarHBondContact O-N 3.42Å; A372-Q375 PolarHBondContact O-N 2.89Å; V373-Q375 VanDerWaalsContact C-N 3.34Å; V373-Q375 PolarHBondContact O-N 3.45Å; Q375-L377 VanDerWaalsContact C-N 3.35Å; Q375-L377 PolarHBondContact O-N 3.48Å; Q375-Q378 PolarHBondContact O-N 3.18Å; Q375-L379 WeakPolarHBondContact O-CB 3.45Å; Q375-L379 VanDerWaalsContact O-CG 3.29Å; Q375-L379 WeakPolarHBondContact O-CG 3.15Å; Q375-L379 PolarHBondContact O-N 3.35Å
376	L	93	Very high	90.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-41.8	174.7	-70.3	167.6	0	0	0	111.8	P255 F288 N291 I292 V295 A372 V373 L379 H380	P255-L376 HydrophobicContact CB-CD2 4.17Å; P255-L376 HydrophobicContact CG-CD2 4.48Å; F288-L376 HydrophobicContact CD2-CD2 3.55Å; F288-L376 HydrophobicContact CE2-CD2 3.69Å; F288-L376 HydrophobicContact CG-CD2 4.43Å; N291-L376 HydrophobicContact CB-CD1 4.11Å; N291-L376 HydrophobicContact CB-CD2 4.01Å; N291-L376 HydrophobicContact CB-CG 3.86Å; I292-L376 HydrophobicContact CD1-CD1 3.62Å; I292-L376 HydrophobicContact CD1-CD2 3.94Å; I292-L376 HydrophobicContact CD1-CG 4.45Å; I292-L376 HydrophobicContact CG1-CD1 4.34Å; I292-L376 HydrophobicContact CG1-CD2 4.13Å; V295-L376 HydrophobicContact CG2-CD1 4.22Å; A372-L376 VanDerWaalsContact O-CG 3.28Å; A372-L376 WeakPolarHBondContact O-CG 3.4Å; A372-L376 PolarHBondContact O-N 2.88Å; V373-L376 PolarHBondContact O-N 3.16Å; L376-L379 PolarHBondContact O-N 3.31Å; L376-H380 VanDerWaalsContact O-CB 3.29Å; L376-H380 WeakPolarHBondContact O-CB 3.22Å; L376-H380 PolarHBondContact O-N 3.2Å
377	L	91.1	Very high	89.7	Confident	57 Å²	57	53.3 Å²	53.3	30%	0.298	26%	0.26	S	S	.	.	H	α-helix	trans	-64.4	-41.9	175.2	-73.3	172.9	0	0	0	112.4	E254 V373 T374 Q375 H380 Q381	E254-L377 HydrophobicContact CG-CD2 4.27Å; E254-L377 WeakPolarHBondContact OE2-CD2 3.35Å; V373-L377 HydrophobicContact CG1-CD1 4.02Å; V373-L377 HydrophobicContact CG1-CG 4.35Å; V373-L377 WeakPolarHBondContact O-CB 3.39Å; V373-L377 VanDerWaalsContact O-CG 3.32Å; V373-L377 WeakPolarHBondContact O-CG 3.43Å; V373-L377 PolarHBondContact O-N 3.42Å; T374-L377 PolarHBondContact O-N 2.83Å; Q375-L377 VanDerWaalsContact C-N 3.35Å; Q375-L377 PolarHBondContact O-N 3.48Å; L377-H380 PolarHBondContact O-N 2.73Å; L377-Q381 WeakPolarHBondContact O-CB 3.27Å; L377-Q381 PolarHBondContact O-N 3.12Å
378	Q	91.3	Very high	88.4	Confident	77 Å²	77	55.4 Å²	55.4	36%	0.36	28%	0.281	S	S	.	.	H	α-helix	trans	-63.8	-41.3	174.9	-76.4	-175.3	-9.3	0	0	112.1	V334 T374 Q375 H380 K382	V334-Q378 VanDerWaalsContact CG2-CD 3.42Å; V334-Q378 HydrophobicContact CG2-CG 4.38Å; V334-Q378 VanDerWaalsContact CG2-NE2 3.33Å; T374-Q378 WeakPolarHBondContact O-CG 3.4Å; T374-Q378 PolarHBondContact O-N 3.24Å; Q375-Q378 PolarHBondContact O-N 3.18Å; Q378-H380 VanDerWaalsContact C-N 3.34Å; Q378-K382 VanDerWaalsContact O-CG 3.29Å; Q378-K382 WeakPolarHBondContact O-CG 3.48Å; Q378-K382 PolarHBondContact O-N 3.03Å
379	L	89.5	Confident	87.1	Confident	52 Å²	52	57.5 Å²	57.5	27%	0.272	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-43.4	173.9	-71.1	175.4	0	0	0	110.7	F288 Q375 L376 K382 L383	F288-L379 HydrophobicContact CD2-CD1 4.47Å; Q375-L379 WeakPolarHBondContact O-CB 3.45Å; Q375-L379 VanDerWaalsContact O-CG 3.29Å; Q375-L379 WeakPolarHBondContact O-CG 3.15Å; Q375-L379 PolarHBondContact O-N 3.35Å; L376-L379 PolarHBondContact O-N 3.31Å; L379-K382 PolarHBondContact O-N 3.32Å; L379-L383 VanDerWaalsContact O-CB 3.27Å; L379-L383 WeakPolarHBondContact O-CB 3.44Å; L379-L383 PolarHBondContact O-N 3.29Å
380	H	89.6	Confident	85.9	Confident	17 Å²	17	58 Å²	58	8%	0.079	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-44.5	177.2	-173	71.4	0	0	0	112.7	Y235 L376 L377 Q378 L383 A384 M391	Y235-H380 AromaticContact CE2-ND1 3.64Å; Y235-H380 AromaticContact CZ-ND1 3.88Å; Y235-H380 WeakPolarHBondContact OH-CA 3.45Å; Y235-H380 WeakPolarHBondContact OH-CB 3.38Å; Y235-H380 PolarHBondContact OH-ND1 3.36Å; L376-H380 VanDerWaalsContact O-CB 3.29Å; L376-H380 WeakPolarHBondContact O-CB 3.22Å; L376-H380 PolarHBondContact O-N 3.2Å; L377-H380 PolarHBondContact O-N 2.73Å; Q378-H380 VanDerWaalsContact C-N 3.34Å; H380-L383 PolarHBondContact O-N 3.44Å; H380-A384 WeakPolarHBondContact O-CB 3.48Å; H380-A384 PolarHBondContact O-N 3.43Å; H380-M391 PolarHBondContact CE1-SD 3.19Å
381	Q	88.3	Confident	84.8	Confident	120 Å²	120	54.6 Å²	54.6	56%	0.561	29%	0.288	S	S	*	.	H	α-helix	trans	-62.3	-47	176.4	-176	180	-10	0	0	111.8	L377 L383 A384 E385	L377-Q381 WeakPolarHBondContact O-CB 3.27Å; L377-Q381 PolarHBondContact O-N 3.12Å; Q381-L383 PolarHBondContact O-N 3.3Å; Q381-A384 PolarHBondContact O-N 3.47Å; Q381-E385 WeakPolarHBondContact O-CG 3.29Å; Q381-E385 PolarHBondContact O-N 3.21Å
382	K	88.5	Confident	83.3	Confident	131 Å²	131	57.3 Å²	57.3	57%	0.57	30%	0.302	S	S	*	.	H	α-helix	trans	-58.1	-38.6	176.1	-74	173.9	-178.8	178.4	0	111.9	Q378 L379 E385 T386	Q378-K382 VanDerWaalsContact O-CG 3.29Å; Q378-K382 WeakPolarHBondContact O-CG 3.48Å; Q378-K382 PolarHBondContact O-N 3.03Å; L379-K382 PolarHBondContact O-N 3.32Å; K382-E385 PolarHBondContact O-N 2.96Å; K382-T386 PolarHBondContact O-N 3.09Å
383	L	85.9	Confident	80.6	Confident	21 Å²	21	61.5 Å²	61.5	11%	0.11	33%	0.33	C	S	.	.	H	α-helix	trans	-76.9	-30.5	-179.5	-161.8	57.8	0	0	0	112.6	Y235 L239 M240 L379 H380 Q381 E385 T386 N387 M391	Y235-L383 HydrophobicContact CD1-CD2 4.46Å; Y235-L383 HydrophobicContact CE1-CD2 3.67Å; Y235-L383 HydrophobicContact CE2-CD2 4.24Å; Y235-L383 WeakPolarHBondContact OH-CD2 3.39Å; L239-L383 HydrophobicContact CB-CD1 3.89Å; L239-L383 HydrophobicContact CB-CD2 3.39Å; L239-L383 HydrophobicContact CB-CG 3.73Å; L239-L383 HydrophobicContact CD1-CD2 3.64Å; L239-L383 HydrophobicContact CD1-CG 4.26Å; L239-L383 HydrophobicContact CG-CD2 4.15Å; L239-L383 WeakPolarHBondContact O-CD1 3.26Å; M240-L383 HydrophobicContact CG-CD2 4.33Å; L379-L383 VanDerWaalsContact O-CB 3.27Å; L379-L383 WeakPolarHBondContact O-CB 3.44Å; L379-L383 PolarHBondContact O-N 3.29Å; H380-L383 PolarHBondContact O-N 3.44Å; Q381-L383 PolarHBondContact O-N 3.3Å; L383-E385 VanDerWaalsContact C-N 3.32Å; L383-T386 PolarHBondContact O-N 3.18Å; L383-T386 PolarHBondContact O-OG1 3.25Å; L383-N387 WeakPolarHBondContact CD1-ND2 3.34Å; L383-N387 VanDerWaalsContact O-CB 3.29Å; L383-N387 WeakPolarHBondContact O-CB 3.43Å; L383-N387 PolarHBondContact O-N 3.09Å; L383-M391 HydrophobicContact CB-CE 3.85Å; L383-M391 HydrophobicContact CD2-CE 3.97Å; L383-M391 HydrophobicContact CG-CE 3.8Å
384	A	84.4	Confident	77.8	Confident	22 Å²	22	68.6 Å²	68.6	18%	0.182	36%	0.362	C	S	.	.	H	α-helix	trans	-68.7	-32.6	171.3	0	0	0	0	0	111.7	H380 Q381 T386 G388 M391	H380-A384 WeakPolarHBondContact O-CB 3.48Å; H380-A384 PolarHBondContact O-N 3.43Å; Q381-A384 PolarHBondContact O-N 3.47Å; A384-T386 VanDerWaalsContact C-N 3.33Å; A384-G388 WeakPolarHBondContact O-CA 3.47Å; A384-G388 PolarHBondContact O-N 3.09Å; A384-G388 VanDerWaalsContact O-N 3.09Å; A384-M391 HydrophobicContact CB-CB 4.41Å; A384-M391 HydrophobicContact CB-CG 4Å
385	E	82.9	Confident	75	Confident	143 Å²	143	71.9 Å²	71.9	67%	0.668	39%	0.386	S	S	*	.	H	α-helix	trans	-66.4	-34.8	172.6	-70.6	169.9	-167.5	0	0	112.2	Q381 K382 L383	Q381-E385 WeakPolarHBondContact O-CG 3.29Å; Q381-E385 PolarHBondContact O-N 3.21Å; K382-E385 PolarHBondContact O-N 2.96Å; L383-E385 VanDerWaalsContact C-N 3.32Å
386	T	82.1	Confident	72.1	Confident	101 Å²	101	79.4 Å²	79.4	62%	0.62	42%	0.418	S	S	*	.	H	α-helix	trans	-84.4	-35.5	178.7	60.3	0	0	0	0	113.3	K382 L383 A384	K382-T386 PolarHBondContact O-N 3.09Å; L383-T386 PolarHBondContact O-N 3.18Å; L383-T386 PolarHBondContact O-OG1 3.25Å; A384-T386 VanDerWaalsContact C-N 3.33Å
387	N	79.3	Confident	68.9	Low	45 Å²	45	84.1 Å²	84.1	24%	0.241	46%	0.457	C	S	.	.	S	Bend	trans	-120.9	30.5	-168.2	-56.2	-9.5	0	0	0	112.6	L239 L383 D389 R390	L239-N387 WeakPolarHBondContact CA-ND2 3.36Å; L239-N387 WeakPolarHBondContact CB-ND2 3.35Å; L239-N387 HydrophobicContact CD2-CB 4.08Å; L239-N387 WeakPolarHBondContact CD2-ND2 3.38Å; L239-N387 PolarHBondContact O-ND2 3.14Å; L383-N387 WeakPolarHBondContact CD1-ND2 3.34Å; L383-N387 VanDerWaalsContact O-CB 3.29Å; L383-N387 WeakPolarHBondContact O-CB 3.43Å; L383-N387 PolarHBondContact O-N 3.09Å; N387-D389 PolarHBondContact O-N 3.04Å; N387-R390 PolarHBondContact O-N 3.21Å
388	G	65	Low	65.8	Low	43 Å²	43	88.9 Å²	88.9	44%	0.443	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-49.7	-29.5	-162.7	0	0	0	0	0	117.5	A384 R390	A384-G388 WeakPolarHBondContact O-CA 3.47Å; A384-G388 PolarHBondContact O-N 3.09Å; A384-G388 VanDerWaalsContact O-N 3.09Å; G388-R390 VanDerWaalsContact C-N 3.28Å; G388-R390 PolarHBondContact O-N 3.12Å
389	D	67.6	Low	63	Low	163 Å²	163	90.3 Å²	90.3	87%	0.872	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-70.4	-20.8	179.5	-63.9	-24.3	0	0	0	113.5	N387	N387-D389 PolarHBondContact O-N 3.04Å
390	R	66.8	Low	60.2	Low	34 Å²	34	93.9 Å²	93.9	13%	0.128	52%	0.52	C	S	.	.	G	3₁₀ helix	trans	-99.4	5.3	-174.3	-59.4	-177	73.8	162	10.9	114.7	L239 V246 F252 N387 G388	L239-R390 HydrophobicContact CD2-CB 4.35Å; V246-R390 PolarHBondContact O-NH2 2.76Å; F252-R390 HydrophobicContact CD2-CB 4.37Å; F252-R390 WeakPolarHBondContact CD2-O 3.41Å; F252-R390 PolarHBondContact N-O 3.15Å; N387-R390 PolarHBondContact O-N 3.21Å; G388-R390 VanDerWaalsContact C-N 3.28Å; G388-R390 PolarHBondContact O-N 3.12Å
391	M	68.6	Low	57.2	Low	12 Å²	12	104.3 Å²	104.3	6%	0.059	56%	0.558	C	S	.	*	B	Isolated β-bridge	trans	-112.2	140.1	-172.4	-67.3	-66.7	-150.8	0	0	112.9	Y235 L239 F252 H380 L383 A384 C393	Y235-M391 HydrophobicContact CE2-CE 4.26Å; L239-M391 HydrophobicContact CD1-CE 3.64Å; L239-M391 HydrophobicContact CD1-SD 4.13Å; F252-M391 HydrophobicContact CB-SD 3.77Å; H380-M391 PolarHBondContact CE1-SD 3.19Å; L383-M391 HydrophobicContact CB-CE 3.85Å; L383-M391 HydrophobicContact CD2-CE 3.97Å; L383-M391 HydrophobicContact CG-CE 3.8Å; A384-M391 HydrophobicContact CB-CB 4.41Å; A384-M391 HydrophobicContact CB-CG 4Å; M391-C393 PolarHBondContact O-N 2.87Å
392	I	60.8	Low	54.2	Low	68 Å²	68	101.9 Å²	101.9	35%	0.349	57%	0.565	S	S	.	*			trans	-81	97.1	165	-52.9	179.2	0	0	0	108.3	L251 F252 Q394	L251-I392 HydrophobicContact CB-CD1 3.83Å; L251-I392 HydrophobicContact CB-CG1 3.54Å; L251-I392 HydrophobicContact CD2-CG1 3.81Å; L251-I392 HydrophobicContact CG-CG1 4.14Å; F252-I392 PolarHBondContact O-N 2.95Å; F252-I392 VanDerWaalsContact O-N 3.16Å; I392-Q394 HydrophobicContact CG2-CG 3.84Å; I392-Q394 PolarHBondContact O-N 3.06Å; I392-Q394 VanDerWaalsContact O-N 3.09Å
393	C	37.8	Very low	51.1	Low	90 Å²	90	99.2 Å²	99.2	61%	0.608	58%	0.576	S	S	*	*			trans	-71.9	99.9	160.4	-64	0	0	0	0	108.3	M391 S395	M391-C393 PolarHBondContact O-N 2.87Å; C393-S395 PolarHBondContact O-N 2.75Å
394	Q	36.3	Very low	48.4	Very low	172 Å²	172	104 Å²	104	80%	0.804	61%	0.611	S	S	*	*			trans	-72	49.8	164	-65.8	-168.5	18.6	0	0	110.8	I392 K396	I392-Q394 HydrophobicContact CG2-CG 3.84Å; I392-Q394 PolarHBondContact O-N 3.06Å; I392-Q394 VanDerWaalsContact O-N 3.09Å; Q394-K396 PolarHBondContact O-N 2.88Å
395	S	33.1	Very low	45.5	Very low	95 Å²	95	112 Å²	112	66%	0.664	64%	0.644	S	S	*	*			trans	-85.1	97.6	164.1	50.3	0	0	0	0	107.7	C393 A397	C393-S395 PolarHBondContact O-N 2.75Å; S395-A397 PolarHBondContact O-N 3.39Å
396	K	31.2	Very low	43	Very low	204 Å²	204	112.9 Å²	112.9	89%	0.887	65%	0.652	S	S	*	*			trans	13.7	82	159.3	-73.7	175.9	175.4	173.8	0	114.2	Q394 E398	Q394-K396 PolarHBondContact O-N 2.88Å; K396-E398 PolarHBondContact O-N 3.23Å
397	A	27.6	Very low	40.2	Very low	99 Å²	99	116.4 Å²	116.4	82%	0.818	66%	0.659	S	S	*	*			trans	-70.8	77.8	162.6	0	0	0	0	0	108.4	S395 P399	S395-A397 PolarHBondContact O-N 3.39Å; A397-P399 WeakPolarHBondContact O-CD 3.44Å
398	E	25.8	Very low	37.5	Very low	158 Å²	158	122.3 Å²	122.3	74%	0.738	69%	0.69	S	S	*	*			trans	-70	113.8	150.3	-106.3	-165.6	137.9	0	0	106	K396	K396-E398 PolarHBondContact O-N 3.23Å
399	P	31.7	Very low	35.7	Very low	107 Å²	107	128.4 Å²	128.4	70%	0.695	71%	0.706	S	S	*	*			trans	-67.4	138.4	178.1	27.7	-31.2	0	0	0	108.7	A397 R401	A397-P399 WeakPolarHBondContact O-CD 3.44Å; P399-R401 PolarHBondContact O-N 2.84Å
400	P	30.2	Very low	33.5	Very low	126 Å²	126	129.9 Å²	129.9	82%	0.818	71%	0.708	S	S	*	*			trans	-62.3	126.9	178	25.5	-31.1	0	0	0	108.6	G402	P400-G402 PolarHBondContact O-N 3.35Å
401	R	27.4	Very low	31.6	Very low	236 Å²	236	132 Å²	132	89%	0.891	74%	0.741	S	S	*	*			trans	-60.7	82.9	171.7	-66.3	174.9	-150.3	-137.3	-1.5	109.3	P399	P399-R401 PolarHBondContact O-N 2.84Å
402	G	24.8	Very low	29.5	Very low	69 Å²	69	136.4 Å²	136.4	71%	0.711	78%	0.779	S	S	*	*			trans	-109.4	108.4	166.1	0	0	0	0	0	107.9	P400	P400-G402 PolarHBondContact O-N 3.35Å
403	G	24.1	Very low	28.1	Very low	76 Å²	76	139 Å²	139	78%	0.784	80%	0.803	S	S	*	*			trans	-58.6	139.4	-175.1	0	0	0	0	0	113.5
404	S	29.5	Very low	27.5	Very low	121 Å²	121	143.5 Å²	143.5	85%	0.846	82%	0.815	S	S	*	*			trans	-148.6	102.9	144.7	-79.6	0	0	0	0	107.5
405	E	22.6	Very low	27.2	Very low	190 Å²	190	142.2 Å²	142.2	89%	0.888	82%	0.819	S	S	*	*			trans	-65	114.8	173	175.9	171.2	179.3	0	0	110.2
406	I	31.2	Very low	27.4	Very low	161 Å²	161	143.7 Å²	143.7	83%	0.826	83%	0.827	S	S	*	*			trans	-138	116.2	155.4	-55.4	-178.3	0	0	0	109.8
407	K	21.9	Very low	27.3	Very low	175 Å²	175	137.1 Å²	137.1	76%	0.761	82%	0.817	S	S	*	*			trans	-48.8	130.2	177.3	-145.3	160.7	177.9	175.7	0	113.7	E409	K407-E409 PolarHBondContact O-N 2.87Å
408	L	23.9	Very low	27.5	Very low	170 Å²	170	139.1 Å²	139.1	89%	0.89	82%	0.821	S	S	*	*			trans	-71.6	111.1	163.6	-103.4	80.8	0	0	0	109.3
409	E	26.4	Very low	27.7	Very low	170 Å²	170	136.3 Å²	136.3	79%	0.794	82%	0.819	S	S	*	*			trans	-84.1	129.5	164.2	-80.9	-84.4	140.4	0	0	109.5	K407	K407-E409 PolarHBondContact O-N 2.87Å
410	Q	22.8	Very low	27.3	Very low	194 Å²	194	138.1 Å²	138.1	91%	0.907	83%	0.833	S	S	*	*			trans	-78.6	122.3	175	-66.6	174.3	-18.3	0	0	109.2
411	G	26.3	Very low	27.3	Very low	80 Å²	80	136.8 Å²	136.8	83%	0.825	83%	0.826	S	S	*	*			trans	-129.5	91.9	174.8	0	0	0	0	0	110.7
412	A	25.2	Very low	27.4	Very low	103 Å²	103	132.3 Å²	132.3	85%	0.851	83%	0.826	S	S	*	*			trans	-74.9	138.7	168.9	0	0	0	0	0	110.9
413	S	31	Very low	27.5	Very low	123 Å²	123	132.1 Å²	132.1	86%	0.86	82%	0.824	S	S	*	*			trans	-169.8	124.1	143.7	52.4	0	0	0	0	111.6
414	Q	25.1	Very low	28	Very low	185 Å²	185	136.4 Å²	136.4	86%	0.864	83%	0.827	S	S	*	*			trans	-77.9	150.6	170	-58.4	168	14.4	0	0	110.4
415	T	29.8	Very low	28.4	Very low	144 Å²	144	134.8 Å²	134.8	88%	0.883	82%	0.815	S	S	*	*				177.9	157.5	127.5	29.2	0	0	0	0	111.8
416	P	37.1	Very low	29	Very low	127 Å²	127	131.5 Å²	131.5	83%	0.825	81%	0.809	S	S	*	*			trans	-116.1	150.2	-153.2	38.3	-25.3	0	0	0	115.2
417	G	28.4	Very low	29.4	Very low	66 Å²	66	133.8 Å²	133.8	68%	0.68	81%	0.807	S	S	*	*			trans	-173.7	142.9	168.4	0	0	0	0	0	111.4	S419	G417-S419 PolarHBondContact O-N 3.49Å; G417-S419 VanDerWaalsContact O-N 3.09Å
418	P	33.2	Very low	30.2	Very low	140 Å²	140	134.3 Å²	134.3	91%	0.909	81%	0.809	S	S	*	*			trans	-90.2	89.5	-150.6	35.4	-32.8	0	0	0	111.9
419	S	28.7	Very low	31	Very low	100 Å²	100	135.9 Å²	135.9	70%	0.699	81%	0.809	S	S	*	*			trans	-105	123.3	156.6	-84.5	0	0	0	0	108.7	G417 S421	G417-S419 PolarHBondContact O-N 3.49Å; G417-S419 VanDerWaalsContact O-N 3.09Å; S419-S421 VanDerWaalsContact C-N 3.27Å; S419-S421 PolarHBondContact O-N 3Å; S419-S421 PolarHBondContact O-OG 3.04Å
420	C	24.9	Very low	31.8	Very low	144 Å²	144	136.6 Å²	136.6	97%	0.973	81%	0.805	S	S	*	*	S	Bend	trans	-36.4	82.3	176.8	-166.8	0	0	0	0	113
421	S	28.3	Very low	32.9	Very low	98 Å²	98	130.5 Å²	130.5	69%	0.685	78%	0.783	S	S	*	*			trans	-157.6	85.3	174.6	48.7	0	0	0	0	106	S419	S419-S421 VanDerWaalsContact C-N 3.27Å; S419-S421 PolarHBondContact O-N 3Å; S419-S421 PolarHBondContact O-OG 3.04Å
422	T	29.8	Very low	34.1	Very low	143 Å²	143	133 Å²	133	88%	0.877	78%	0.777	S	S	*	*			trans	-133.7	97.3	165.5	-45.2	0	0	0	0	107.3
423	G	27.8	Very low	35.4	Very low	65 Å²	65	132 Å²	132	67%	0.67	76%	0.764	S	S	*	*			trans	50.4	88	155.3	0	0	0	0	0	114.7	S425	G423-S425 PolarHBondContact O-N 3.29Å
424	I	34.9	Very low	36.3	Very low	166 Å²	166	131.8 Å²	131.8	85%	0.851	75%	0.749	S	S	*	*				-62.3	89.7	127.8	-59.3	175.6	0	0	0	103.3	T426	I424-T426 PolarHBondContact O-N 3.5Å
425	S	36.4	Very low	37.5	Very low	86 Å²	86	127.5 Å²	127.5	60%	0.601	73%	0.732	S	S	*	*			trans	-42.9	106.6	153.2	170.1	0	0	0	0	103.1	G423 R427	G423-S425 PolarHBondContact O-N 3.29Å; S425-R427 PolarHBondContact O-N 3.23Å
426	T	35.1	Very low	38.6	Very low	122 Å²	122	127.7 Å²	127.7	75%	0.748	72%	0.723	S	S	*	*			trans	-58.3	84.3	166.6	42.8	0	0	0	0	104.3	I424 K428	I424-T426 PolarHBondContact O-N 3.5Å; T426-K428 PolarHBondContact O-N 3.48Å
427	R	40.4	Very low	39.5	Very low	209 Å²	209	126 Å²	126	79%	0.789	71%	0.713	S	S	*	*			trans	-62	99.4	162.2	-85.3	-169.1	-89.1	179.2	-7.2	101.3	S425 F429	S425-R427 PolarHBondContact O-N 3.23Å; R427-F429 PolarHBondContact O-N 3.43Å
428	K	39.7	Very low	40.6	Very low	185 Å²	185	133.2 Å²	133.2	80%	0.804	72%	0.72	S	S	*	*			trans	-41.8	118.2	171.5	-69	-177.3	177.1	-177.8	0	105.4	T426 R430	T426-K428 PolarHBondContact O-N 3.48Å; K428-R430 VanDerWaalsContact C-N 3.29Å; K428-R430 PolarHBondContact O-N 3.42Å
429	F	39.8	Very low	41.9	Very low	204 Å²	204	128.7 Å²	128.7	90%	0.895	69%	0.69	S	S	*	*			trans	-57.7	102.3	174.9	-167.3	-96	0	0	0	105.3	R427 S431	R427-F429 PolarHBondContact O-N 3.43Å; F429-S431 PolarHBondContact O-N 3.1Å
430	R	43	Very low	44.1	Very low	185 Å²	185	127.7 Å²	127.7	70%	0.698	68%	0.68	S	S	*	*			trans	-71.8	126.9	176.6	-84.5	-171.8	154.2	145.3	-0.2	106.4	K428 E434	K428-R430 VanDerWaalsContact C-N 3.29Å; K428-R430 PolarHBondContact O-N 3.42Å; R430-E434 WeakPolarHBondContact CD-OE2 3.28Å; R430-E434 WeakPolarHBondContact CG-OE2 3.45Å; R430-E434 IonicContact NE-OE2 3.18Å; R430-E434 PolarHBondContact NE-OE2 3.18Å
431	S	45.8	Very low	46.7	Very low	65 Å²	65	127 Å²	127	46%	0.455	67%	0.667	S	S	.	*			trans	-49.5	141.2	174.4	177.7	0	0	0	0	110	F429 S433 E434	F429-S431 PolarHBondContact O-N 3.1Å; S431-S433 PolarHBondContact O-N 2.89Å; S431-S433 PolarHBondContact OG-OG 3.13Å; S431-E434 PolarHBondContact O-N 3.28Å
432	L	50.8	Low	49.2	Very low	133 Å²	133	128.5 Å²	128.5	70%	0.696	67%	0.667	S	S	*	*	H	α-helix	trans	-50.5	-33.9	-179.5	-138.5	156.5	0	0	0	111.6	E434 L435	L432-E434 PolarHBondContact O-N 3.4Å; L432-L435 PolarHBondContact O-N 3.06Å
433	S	53.5	Low	51.7	Low	83 Å²	83	126.6 Å²	126.6	58%	0.58	65%	0.648	S	S	*	*	H	α-helix	trans	-68	-24.1	177	46.1	0	0	0	0	116.1	S431	S431-S433 PolarHBondContact O-N 2.89Å; S431-S433 PolarHBondContact OG-OG 3.13Å
434	E	49.3	Very low	54.2	Low	117 Å²	117	127.9 Å²	127.9	55%	0.547	64%	0.638	S	S	.	*	H	α-helix	trans	-79.7	-26	175.9	-97.4	-173.5	173	0	0	112.4	R430 S431 L432	R430-E434 WeakPolarHBondContact CD-OE2 3.28Å; R430-E434 WeakPolarHBondContact CG-OE2 3.45Å; R430-E434 IonicContact NE-OE2 3.18Å; R430-E434 PolarHBondContact NE-OE2 3.18Å; S431-E434 PolarHBondContact O-N 3.28Å; L432-E434 PolarHBondContact O-N 3.4Å
435	L	50.3	Low	56.5	Low	95 Å²	95	123.7 Å²	123.7	50%	0.497	62%	0.616	S	S	.	*	H	α-helix	trans	-77.4	-28.4	-176.2	-163.2	72.9	0	0	0	112.4	L432 S437 V439	L432-L435 PolarHBondContact O-N 3.06Å; L435-S437 VanDerWaalsContact C-N 3.3Å; L435-S437 PolarHBondContact O-N 3.05Å; L435-V439 HydrophobicContact CD1-CG2 3.73Å; L435-V439 HydrophobicContact CG-CG2 4.15Å; L435-V439 VanDerWaalsContact O-CG2 3.25Å; L435-V439 WeakPolarHBondContact O-CG2 3.42Å
436	E	53.7	Low	58.8	Low	149 Å²	149	125.8 Å²	125.8	70%	0.696	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-22.5	-175.2	-70.8	179.1	161.1	0	0	113.6
437	S	56.4	Low	61.2	Low	90 Å²	90	122.6 Å²	122.6	63%	0.629	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-24.4	-164.4	81	0	0	0	0	116.2	L435	L435-S437 VanDerWaalsContact C-N 3.3Å; L435-S437 PolarHBondContact O-N 3.05Å
438	R	50	Low	63.1	Low	218 Å²	218	118.4 Å²	118.4	82%	0.823	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.5	20.6	-174.4	-64.6	-167.5	-178.1	-156.7	-2	116.8	T440	R438-T440 PolarHBondContact O-N 3.48Å
439	V	62	Low	65.2	Low	46 Å²	46	119 Å²	119	28%	0.279	58%	0.583	S	S	.	*			trans	-84.8	116.6	-179.3	-174	0	0	0	0	109.2	L435 E443 M444	L435-V439 HydrophobicContact CD1-CG2 3.73Å; L435-V439 HydrophobicContact CG-CG2 4.15Å; L435-V439 VanDerWaalsContact O-CG2 3.25Å; L435-V439 WeakPolarHBondContact O-CG2 3.42Å; V439-E443 HydrophobicContact CG1-CB 3.58Å; V439-M444 HydrophobicContact CB-CE 3.88Å; V439-M444 HydrophobicContact CB-CG 4.28Å; V439-M444 HydrophobicContact CG1-CE 4.1Å; V439-M444 HydrophobicContact CG1-CG 3.48Å; V439-M444 VanDerWaalsContact CG1-CG 3.48Å
440	T	74.8	Confident	67.3	Low	79 Å²	79	115.5 Å²	115.5	49%	0.485	57%	0.569	S	S	.	*			trans	-69.3	150.5	175.9	54.7	0	0	0	0	110.3	R438 D442 E443 M444	R438-T440 PolarHBondContact O-N 3.48Å; T440-D442 PolarHBondContact O-N 3.14Å; T440-D442 VanDerWaalsContact O-N 3.08Å; T440-E443 PolarHBondContact N-OE2 3.2Å; T440-E443 VanDerWaalsContact N-OE2 3.08Å; T440-E443 WeakPolarHBondContact O-CB 3.35Å; T440-E443 PolarHBondContact O-N 2.69Å; T440-E443 WeakPolarHBondContact OG1-CG 3.44Å; T440-E443 PolarHBondContact OG1-OE2 2.95Å; T440-M444 PolarHBondContact O-N 3.27Å; T440-M444 VanDerWaalsContact O-N 3.12Å
441	D	78.1	Confident	69.4	Low	129 Å²	129	108.6 Å²	108.6	69%	0.69	56%	0.556	S	S	*	*	H	α-helix	trans	-51.9	-35.6	178.1	-70.4	-17.7	0	0	0	111.9	E443 M444 I445	D441-E443 PolarHBondContact O-N 3.49Å; D441-M444 PolarHBondContact O-N 3.23Å; D441-I445 WeakPolarHBondContact O-CB 3.4Å; D441-I445 WeakPolarHBondContact O-CD1 3.21Å; D441-I445 WeakPolarHBondContact O-CG1 3.48Å; D441-I445 PolarHBondContact O-N 3.21Å
442	D	81.9	Confident	71.2	Confident	130 Å²	130	108.1 Å²	108.1	70%	0.695	56%	0.561	S	S	*	*	H	α-helix	trans	-63	-38.7	176.4	-74.6	-35.2	0	0	0	113.1	T440 K446	T440-D442 PolarHBondContact O-N 3.14Å; T440-D442 VanDerWaalsContact O-N 3.08Å; D442-K446 VanDerWaalsContact O-CB 3.24Å; D442-K446 WeakPolarHBondContact O-CB 3.39Å; D442-K446 PolarHBondContact O-N 2.91Å
443	E	81.7	Confident	72.7	Confident	103 Å²	103	109.8 Å²	109.8	48%	0.481	56%	0.56	S	S	.	*	H	α-helix	trans	-70.5	-38.8	175.7	-73.2	171.1	146.5	0	0	111.6	V439 T440 D441 K446 A447	V439-E443 HydrophobicContact CG1-CB 3.58Å; T440-E443 PolarHBondContact N-OE2 3.2Å; T440-E443 VanDerWaalsContact N-OE2 3.08Å; T440-E443 WeakPolarHBondContact O-CB 3.35Å; T440-E443 PolarHBondContact O-N 2.69Å; T440-E443 WeakPolarHBondContact OG1-CG 3.44Å; T440-E443 PolarHBondContact OG1-OE2 2.95Å; D441-E443 PolarHBondContact O-N 3.49Å; E443-K446 PolarHBondContact O-N 2.93Å; E443-A447 WeakPolarHBondContact O-CB 3.47Å; E443-A447 PolarHBondContact O-N 3.03Å
444	M	80.7	Confident	73.9	Confident	92 Å²	92	108.9 Å²	108.9	45%	0.453	55%	0.553	S	S	.	*	H	α-helix	trans	-65.1	-44.5	174.3	-67.3	-144.8	-174.8	0	0	111.5	V439 T440 D441 K446 A447 Y448	V439-M444 HydrophobicContact CB-CE 3.88Å; V439-M444 HydrophobicContact CB-CG 4.28Å; V439-M444 HydrophobicContact CG1-CE 4.1Å; V439-M444 HydrophobicContact CG1-CG 3.48Å; V439-M444 VanDerWaalsContact CG1-CG 3.48Å; T440-M444 PolarHBondContact O-N 3.27Å; T440-M444 VanDerWaalsContact O-N 3.12Å; D441-M444 PolarHBondContact O-N 3.23Å; M444-K446 VanDerWaalsContact C-N 3.32Å; M444-K446 PolarHBondContact O-N 3.03Å; M444-A447 PolarHBondContact O-N 3.36Å; M444-Y448 VanDerWaalsContact O-CB 3.26Å; M444-Y448 WeakPolarHBondContact O-CB 3.15Å; M444-Y448 PolarHBondContact O-N 3.36Å
445	I	82.2	Confident	75.2	Confident	77 Å²	77	108.7 Å²	108.7	40%	0.395	56%	0.562	S	S	.	*	H	α-helix	trans	-63.3	-40.9	176.3	-68	164.5	0	0	0	110.2	D441 Y448 R449	D441-I445 WeakPolarHBondContact O-CB 3.4Å; D441-I445 WeakPolarHBondContact O-CD1 3.21Å; D441-I445 WeakPolarHBondContact O-CG1 3.48Å; D441-I445 PolarHBondContact O-N 3.21Å; I445-Y448 PolarHBondContact O-N 2.94Å; I445-R449 HydrophobicContact CG2-CG 4.46Å; I445-R449 WeakPolarHBondContact O-CB 3.46Å; I445-R449 VanDerWaalsContact O-CG 3.26Å; I445-R449 WeakPolarHBondContact O-CG 3.46Å; I445-R449 PolarHBondContact O-N 2.69Å
446	K	86.6	Confident	76.5	Confident	130 Å²	130	110.2 Å²	110.2	57%	0.565	58%	0.575	S	S	*	*	H	α-helix	trans	-63	-48.3	175.7	-173.6	-177.4	175.7	-168.6	0	111.4	D442 E443 M444 Y448 R449 E450	D442-K446 VanDerWaalsContact O-CB 3.24Å; D442-K446 WeakPolarHBondContact O-CB 3.39Å; D442-K446 PolarHBondContact O-N 2.91Å; E443-K446 PolarHBondContact O-N 2.93Å; M444-K446 VanDerWaalsContact C-N 3.32Å; M444-K446 PolarHBondContact O-N 3.03Å; K446-Y448 VanDerWaalsContact C-N 3.33Å; K446-Y448 PolarHBondContact O-N 3.43Å; K446-R449 PolarHBondContact O-N 3.07Å; K446-E450 WeakPolarHBondContact CE-OE1 3.3Å; K446-E450 WeakPolarHBondContact O-CB 3.48Å; K446-E450 WeakPolarHBondContact O-CG 3.33Å; K446-E450 PolarHBondContact O-N 2.96Å
447	A	83.6	Confident	77.4	Confident	56 Å²	56	114 Å²	114	46%	0.463	59%	0.585	S	S	.	*	H	α-helix	trans	-62.4	-39	177.2	0	0	0	0	0	112.2	E443 M444 E450 G451	E443-A447 WeakPolarHBondContact O-CB 3.47Å; E443-A447 PolarHBondContact O-N 3.03Å; M444-A447 PolarHBondContact O-N 3.36Å; A447-E450 PolarHBondContact O-N 3.23Å; A447-G451 PolarHBondContact O-N 2.83Å
448	Y	81.7	Confident	78.4	Confident	121 Å²	121	114.2 Å²	114.2	48%	0.475	58%	0.582	S	S	.	*	H	α-helix	trans	-64.4	-42.3	175.6	-176.4	-93.6	0	0	0	112	M444 I445 K446 G451 G452 Y453	M444-Y448 VanDerWaalsContact O-CB 3.26Å; M444-Y448 WeakPolarHBondContact O-CB 3.15Å; M444-Y448 PolarHBondContact O-N 3.36Å; I445-Y448 PolarHBondContact O-N 2.94Å; K446-Y448 VanDerWaalsContact C-N 3.33Å; K446-Y448 PolarHBondContact O-N 3.43Å; Y448-G451 PolarHBondContact O-N 3.11Å; Y448-G452 PolarHBondContact O-N 3.09Å; Y448-Y453 AromaticContact CD2-CD2 3.98Å; Y448-Y453 HydrophobicContact CD2-CD2 3.98Å; Y448-Y453 HydrophobicContact CD2-CG 4.35Å; Y448-Y453 VanDerWaalsContact CE2-CB 3.49Å; Y448-Y453 HydrophobicContact CE2-CD2 4.35Å; Y448-Y453 HydrophobicContact CE2-CG 4.26Å
449	R	82.6	Confident	79.7	Confident	196 Å²	196	107.1 Å²	107.1	74%	0.74	57%	0.566	S	S	*	*	H	α-helix	trans	-68	-41	175.6	-73.1	175.5	-177.8	179.6	4.2	112.2	I445 K446 G451 G452	I445-R449 HydrophobicContact CG2-CG 4.46Å; I445-R449 WeakPolarHBondContact O-CB 3.46Å; I445-R449 VanDerWaalsContact O-CG 3.26Å; I445-R449 WeakPolarHBondContact O-CG 3.46Å; I445-R449 PolarHBondContact O-N 2.69Å; K446-R449 PolarHBondContact O-N 3.07Å; R449-G451 VanDerWaalsContact C-N 3.33Å; R449-G452 PolarHBondContact O-N 3.23Å
450	E	85.2	Confident	80.3	Confident	131 Å²	131	113.6 Å²	113.6	61%	0.612	59%	0.59	S	S	*	*	H	α-helix	trans	-66.8	-32.6	174.8	-75.6	-179.8	-175.6	0	0	112.7	K446 A447 G452	K446-E450 WeakPolarHBondContact CE-OE1 3.3Å; K446-E450 WeakPolarHBondContact O-CB 3.48Å; K446-E450 WeakPolarHBondContact O-CG 3.33Å; K446-E450 PolarHBondContact O-N 2.96Å; A447-E450 PolarHBondContact O-N 3.23Å; E450-G452 VanDerWaalsContact C-N 3.27Å; E450-G452 PolarHBondContact O-N 3.41Å
451	G	86.9	Confident	80.4	Confident	40 Å²	40	117 Å²	117	41%	0.412	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.2	-10.6	177.7	0	0	0	0	0	114.7	A447 Y448 R449 Y453	A447-G451 PolarHBondContact O-N 2.83Å; Y448-G451 PolarHBondContact O-N 3.11Å; R449-G451 VanDerWaalsContact C-N 3.33Å; G451-Y453 PolarHBondContact O-N 3Å
452	G	82.3	Confident	80.5	Confident	56 Å²	56	114.7 Å²	114.7	58%	0.577	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.3	23.2	177.7	0	0	0	0	0	114.3	Y448 R449 E450 S454	Y448-G452 PolarHBondContact O-N 3.09Å; R449-G452 PolarHBondContact O-N 3.23Å; E450-G452 VanDerWaalsContact C-N 3.27Å; E450-G452 PolarHBondContact O-N 3.41Å; G452-S454 PolarHBondContact O-N 2.88Å
453	Y	83.6	Confident	80.3	Confident	168 Å²	168	111.4 Å²	111.4	66%	0.659	58%	0.581	S	S	*	*			trans	-70.9	-11.2	-175.5	-62.3	-71.5	0	0	0	114.5	Y448 G451	Y448-Y453 AromaticContact CD2-CD2 3.98Å; Y448-Y453 HydrophobicContact CD2-CD2 3.98Å; Y448-Y453 HydrophobicContact CD2-CG 4.35Å; Y448-Y453 VanDerWaalsContact CE2-CB 3.49Å; Y448-Y453 HydrophobicContact CE2-CD2 4.35Å; Y448-Y453 HydrophobicContact CE2-CG 4.26Å; G451-Y453 PolarHBondContact O-N 3Å
454	S	77.8	Confident	80.2	Confident	63 Å²	63	110 Å²	110	44%	0.441	58%	0.581	S	S	.	*	S	Bend	trans	-113.5	127.8	173.7	-169.4	0	0	0	0	110.1	G452 V456	G452-S454 PolarHBondContact O-N 2.88Å; S454-V456 PolarHBondContact O-N 3.23Å
455	P	77.6	Confident	79.7	Confident	113 Å²	113	113.1 Å²	113.1	73%	0.734	61%	0.606	S	S	*	*			trans	-57.2	131	176.3	-20.9	30.6	0	0	0	111.3	Y457	P455-Y457 PolarHBondContact O-N 2.88Å
456	V	76.5	Confident	79.4	Confident	128 Å²	128	118.1 Å²	118.1	78%	0.776	63%	0.627	S	S	*	*			trans	-66	121.9	173.3	-177.9	0	0	0	0	108.6	S454 V458	S454-V456 PolarHBondContact O-N 3.23Å; V456-V458 VanDerWaalsContact O-CG2 3.27Å; V456-V458 WeakPolarHBondContact O-CG2 3.4Å; V456-V458 PolarHBondContact O-N 3.26Å
457	Y	72.3	Confident	78.7	Confident	228 Å²	228	114.4 Å²	114.4	89%	0.894	62%	0.62	S	S	*	*			trans	-65.2	105.3	174	-80.9	-83.8	0	0	0	109.8	P455	P455-Y457 PolarHBondContact O-N 2.88Å
458	V	77.8	Confident	77.7	Confident	94 Å²	94	122.6 Å²	122.6	57%	0.57	64%	0.64	S	S	*	*			trans	-92.8	131.7	176.1	-157.4	0	0	0	0	109.1	V456	V456-V458 VanDerWaalsContact O-CG2 3.27Å; V456-V458 WeakPolarHBondContact O-CG2 3.4Å; V456-V458 PolarHBondContact O-N 3.26Å
459	S	77.6	Confident	77.2	Confident	69 Å²	69	122.4 Å²	122.4	48%	0.483	65%	0.651	S	S	.	*			trans	-61.2	146.1	170.2	174.6	0	0	0	0	110.3	D461 S462	S459-D461 PolarHBondContact O-N 3.38Å; S459-D461 VanDerWaalsContact O-N 3.09Å; S459-S462 PolarHBondContact O-N 3.04Å
460	K	73.9	Confident	76.4	Confident	182 Å²	182	119.7 Å²	119.7	79%	0.791	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-54.8	-30.2	-180	-81.6	-174.7	178.4	178.3	0	113.3	S462 I463	K460-S462 VanDerWaalsContact C-N 3.34Å; K460-I463 WeakPolarHBondContact O-CG1 3.32Å
461	D	77.5	Confident	74.9	Confident	151 Å²	151	116.4 Å²	116.4	81%	0.807	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-77.8	-18.6	-177.6	-56.3	-31	0	0	0	113.3	S459	S459-D461 PolarHBondContact O-N 3.38Å; S459-D461 VanDerWaalsContact O-N 3.09Å
462	S	80.5	Confident	73.1	Confident	81 Å²	81	122.8 Å²	122.8	57%	0.566	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-93.8	1.9	180	-43.4	0	0	0	0	112.9	S459 K460 P464	S459-S462 PolarHBondContact O-N 3.04Å; K460-S462 VanDerWaalsContact C-N 3.34Å; S462-P464 WeakPolarHBondContact O-CD 3.4Å
463	I	77.3	Confident	71	Confident	60 Å²	60	128.9 Å²	128.9	31%	0.308	69%	0.685	S	S	.	*	S	Bend	trans	-70.3	122.3	173.9	-60.2	176.1	0	0	0	107.4	K460 T465 A467 V469	K460-I463 WeakPolarHBondContact O-CG1 3.32Å; I463-T465 PolarHBondContact O-N 3.45Å; I463-A467 HydrophobicContact CG2-CB 3.57Å; I463-V469 HydrophobicContact CD1-CG2 3.82Å
464	P	79.7	Confident	68.9	Low	75 Å²	75	131.3 Å²	131.3	49%	0.487	70%	0.699	S	S	.	*			trans	-52.7	141	175	-26.3	34.8	0	0	0	110.5	S462 Q466 A467	S462-P464 WeakPolarHBondContact O-CD 3.4Å; P464-Q466 HydrophobicContact CB-CG 4.09Å; P464-Q466 PolarHBondContact O-N 3.45Å; P464-A467 HydrophobicContact CB-CB 4.47Å; P464-A467 WeakPolarHBondContact O-CB 3.26Å; P464-A467 PolarHBondContact O-N 3Å
465	T	70.9	Confident	66.7	Low	157 Å²	157	134.9 Å²	134.9	96%	0.963	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-20.8	-175	-35.7	0	0	0	0	113.4	I463	I463-T465 PolarHBondContact O-N 3.45Å
466	Q	76.2	Confident	64.9	Low	182 Å²	182	135.7 Å²	135.7	85%	0.85	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-9	176.7	66.2	-142.4	8.9	0	0	115.6	P464	P464-Q466 HydrophobicContact CB-CG 4.09Å; P464-Q466 PolarHBondContact O-N 3.45Å
467	A	70.7	Confident	62.8	Low	51 Å²	51	134.8 Å²	134.8	42%	0.421	71%	0.706	S	S	.	*	P	Polyproline II helix	trans	-87.8	131	-174.1	0	0	0	0	0	112.2	I463 P464	I463-A467 HydrophobicContact CG2-CB 3.57Å; P464-A467 HydrophobicContact CB-CB 4.47Å; P464-A467 WeakPolarHBondContact O-CB 3.26Å; P464-A467 PolarHBondContact O-N 3Å
468	R	62.8	Low	61	Low	229 Å²	229	132.3 Å²	132.3	86%	0.864	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-101.7	117	-176.5	-172	178.2	-177.3	173.4	0.9	110.9
469	V	71.9	Confident	59	Low	117 Å²	117	135.5 Å²	135.5	71%	0.709	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-78.9	120.3	177.5	-176.8	0	0	0	0	110.3	I463	I463-V469 HydrophobicContact CD1-CG2 3.82Å
470	I	65.6	Low	56.9	Low	139 Å²	139	136.9 Å²	136.9	71%	0.713	71%	0.712	S	S	*	*			trans	-109.4	105	177.7	-55.8	174.2	0	0	0	108.7
471	G	54.2	Low	55.6	Low	62 Å²	62	135.1 Å²	135.1	64%	0.639	71%	0.707	S	S	*	*			trans	-86	125.9	173.9	0	0	0	0	0	111.5	K473	G471-K473 VanDerWaalsContact C-N 3.3Å; G471-K473 PolarHBondContact O-N 3.36Å
472	L	47.7	Very low	54	Low	173 Å²	173	131.2 Å²	131.2	91%	0.906	69%	0.691	S	S	*	*			trans	-69.9	87.2	166.8	-83.1	82.3	0	0	0	108.9	K474	L472-K474 PolarHBondContact O-N 3.31Å
473	K	38.3	Very low	52.3	Low	184 Å²	184	134 Å²	134	80%	0.8	70%	0.7	S	S	*	*			trans	-66.8	115	160.9	-75.9	-175.9	177.1	178.4	0	106.9	G471 Q475	G471-K473 VanDerWaalsContact C-N 3.3Å; G471-K473 PolarHBondContact O-N 3.36Å; K473-Q475 HydrophobicContact CB-CG 4.42Å; K473-Q475 PolarHBondContact O-N 3.06Å
474	K	39.6	Very low	51.3	Low	219 Å²	219	132.4 Å²	132.4	95%	0.952	69%	0.692	S	S	*	*			trans	-53.4	82.2	151.4	-80.3	-179.8	175.2	177.7	0	107.8	L472	L472-K474 PolarHBondContact O-N 3.31Å
475	Q	32.5	Very low	50.3	Low	138 Å²	138	132 Å²	132	65%	0.645	69%	0.691	S	S	*	*			trans	-107.8	113.8	152.2	-71.5	-146.3	-31.1	0	0	104.8	K473 T477	K473-Q475 HydrophobicContact CB-CG 4.42Å; K473-Q475 PolarHBondContact O-N 3.06Å; Q475-T477 PolarHBondContact O-N 3.04Å
476	V	40	Very low	49.8	Very low	131 Å²	131	128.8 Å²	128.8	79%	0.794	68%	0.675	S	S	*	*			trans	-42.1	100.9	142.4	174.8	0	0	0	0	104.7	K478	V476-K478 PolarHBondContact O-N 3.41Å
477	T	32.7	Very low	49.1	Very low	109 Å²	109	123.2 Å²	123.2	67%	0.669	66%	0.659	S	S	*	*			trans	-70.9	79	175.1	50.3	0	0	0	0	105.4	Q475 F479	Q475-T477 PolarHBondContact O-N 3.04Å; T477-F479 PolarHBondContact O-N 2.88Å
478	K	33.7	Very low	48.8	Very low	175 Å²	175	123.9 Å²	123.9	76%	0.761	65%	0.654	S	S	*	*			trans	-46.3	109.9	135.4	-66.7	-176.7	179.2	-177.5	0	102.8	V476 T480	V476-K478 PolarHBondContact O-N 3.41Å; K478-T480 PolarHBondContact O-N 3.44Å
479	F	36.1	Very low	49.3	Very low	161 Å²	161	117.3 Å²	117.3	71%	0.706	63%	0.632	S	S	*	*			trans	-54.1	96.7	172.6	-119.8	-96.4	0	0	0	105	T477 E481 N483	T477-F479 PolarHBondContact O-N 2.88Å; F479-E481 PolarHBondContact O-N 3.32Å; F479-N483 HydrophobicContact CE1-CB 4.39Å
480	T	33	Very low	49.3	Very low	98 Å²	98	118.2 Å²	118.2	60%	0.601	63%	0.628	S	S	*	*			trans	-55	128.1	163.2	2.4	0	0	0	0	103.7	K478 S482	K478-T480 PolarHBondContact O-N 3.44Å; T480-S482 PolarHBondContact O-N 2.82Å
481	E	46.4	Very low	49.6	Very low	145 Å²	145	113.6 Å²	113.6	68%	0.678	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-57.8	15.4	-179.9	-63.8	174.1	135.5	0	0	113.7	F479 I484	F479-E481 PolarHBondContact O-N 3.32Å; E481-I484 HydrophobicContact CB-CD1 3.97Å; E481-I484 WeakPolarHBondContact O-CD1 3.43Å; E481-I484 VanDerWaalsContact O-CG1 3.31Å; E481-I484 WeakPolarHBondContact O-CG1 3.26Å
482	S	43.4	Very low	50.6	Low	69 Å²	69	111.5 Å²	111.5	48%	0.483	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-87.5	-20.2	-174.1	57	0	0	0	0	115.2	T480 I484 K489	T480-S482 PolarHBondContact O-N 2.82Å; S482-I484 VanDerWaalsContact C-N 3.31Å; S482-I484 PolarHBondContact O-N 3.15Å; S482-K489 PolarHBondContact O-NZ 3.47Å
483	N	46.4	Very low	52.1	Low	139 Å²	139	109 Å²	109	74%	0.743	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-89.5	11.3	177.1	-82.6	6.3	0	0	0	114.5	F479	F479-N483 HydrophobicContact CE1-CB 4.39Å
484	I	55	Low	53.9	Low	27 Å²	27	102.9 Å²	102.9	14%	0.138	55%	0.55	C	S	.	.	S	Bend	trans	-67.4	130.6	173	-55.5	171.8	0	0	0	108.4	E481 S482 E488 K489 I492 R534	E481-I484 HydrophobicContact CB-CD1 3.97Å; E481-I484 WeakPolarHBondContact O-CD1 3.43Å; E481-I484 VanDerWaalsContact O-CG1 3.31Å; E481-I484 WeakPolarHBondContact O-CG1 3.26Å; S482-I484 VanDerWaalsContact C-N 3.31Å; S482-I484 PolarHBondContact O-N 3.15Å; I484-E488 HydrophobicContact CG2-CB 3.25Å; I484-E488 HydrophobicContact CG2-CG 4.4Å; I484-K489 HydrophobicContact CB-CD 4.37Å; I484-K489 HydrophobicContact CB-CG 3.67Å; I484-K489 HydrophobicContact CG2-CB 4.36Å; I484-K489 HydrophobicContact CG2-CG 3.51Å; I484-K489 VanDerWaalsContact O-CE 3.24Å; I484-K489 WeakPolarHBondContact O-CE 3.24Å; I484-I492 HydrophobicContact CD1-CD1 4.05Å; I484-I492 HydrophobicContact CG2-CD1 3.93Å; I484-R534 VanDerWaalsContact CD1-NH2 3.33Å
485	S	58.3	Low	56	Low	68 Å²	68	92.8 Å²	92.8	48%	0.476	51%	0.506	S	S	.	.			trans	-53.4	145.8	172.6	170.9	0	0	0	0	110.2	A487 E488 K489	S485-A487 PolarHBondContact O-N 2.87Å; S485-A487 VanDerWaalsContact O-N 3.16Å; S485-E488 PolarHBondContact N-OE2 3.04Å; S485-E488 PolarHBondContact O-N 2.72Å; S485-K489 PolarHBondContact O-N 2.8Å
486	S	61.3	Low	58.4	Low	89 Å²	89	89.5 Å²	89.5	62%	0.622	49%	0.491	S	S	*	.	H	α-helix	trans	-52.9	-39	178	-57.1	0	0	0	0	112.1	K489 E490	S486-K489 PolarHBondContact O-N 3.18Å; S486-E490 WeakPolarHBondContact O-CG 3.24Å; S486-E490 PolarHBondContact O-N 3.42Å
487	A	60.6	Low	60.3	Low	64 Å²	64	86.9 Å²	86.9	53%	0.529	47%	0.472	S	S	.	.	H	α-helix	trans	-66	-38.7	176.3	0	0	0	0	0	113	S485 S491	S485-A487 PolarHBondContact O-N 2.87Å; S485-A487 VanDerWaalsContact O-N 3.16Å; A487-S491 WeakPolarHBondContact O-CB 3.17Å; A487-S491 PolarHBondContact O-N 3.13Å
488	E	66.2	Low	62.5	Low	66 Å²	66	86.4 Å²	86.4	31%	0.308	46%	0.461	S	S	.	.	H	α-helix	trans	-67.3	-42.6	174.6	-78.9	178.8	150.2	0	0	110.2	I484 S485 E490 S491 I492 R531	I484-E488 HydrophobicContact CG2-CB 3.25Å; I484-E488 HydrophobicContact CG2-CG 4.4Å; S485-E488 PolarHBondContact N-OE2 3.04Å; S485-E488 PolarHBondContact O-N 2.72Å; E488-E490 PolarHBondContact O-N 3.04Å; E488-S491 WeakPolarHBondContact CA-OG 3.36Å; E488-S491 PolarHBondContact O-N 2.96Å; E488-S491 PolarHBondContact O-OG 3.28Å; E488-I492 VanDerWaalsContact O-CD1 3.24Å; E488-I492 WeakPolarHBondContact O-CD1 3.04Å; E488-I492 WeakPolarHBondContact O-CG1 2.92Å; E488-I492 PolarHBondContact O-N 3.36Å; E488-R531 IonicContact OE1-CZ 3.86Å; E488-R531 IonicContact OE1-NH1 3.54Å; E488-R531 PolarHBondContact OE1-NH1 3.03Å; E488-R531 VanDerWaalsContact OE1-NH1 3.13Å; E488-R531 IonicContact OE1-NH2 2.75Å
489	K	72.2	Confident	64.9	Low	91 Å²	91	78.2 Å²	78.2	40%	0.396	43%	0.426	S	S	.	.	H	α-helix	trans	-58.9	-45.9	176.2	-70	-177.1	-177.8	163.8	0	111.8	S482 I484 S485 S486 S491 I492 E493	S482-K489 PolarHBondContact O-NZ 3.47Å; I484-K489 HydrophobicContact CB-CD 4.37Å; I484-K489 HydrophobicContact CB-CG 3.67Å; I484-K489 HydrophobicContact CG2-CB 4.36Å; I484-K489 HydrophobicContact CG2-CG 3.51Å; I484-K489 VanDerWaalsContact O-CE 3.24Å; I484-K489 WeakPolarHBondContact O-CE 3.24Å; S485-K489 PolarHBondContact O-N 2.8Å; S486-K489 PolarHBondContact O-N 3.18Å; K489-S491 VanDerWaalsContact C-N 3.35Å; K489-S491 PolarHBondContact O-N 3.36Å; K489-I492 PolarHBondContact O-N 2.86Å; K489-E493 WeakPolarHBondContact O-CB 3.48Å; K489-E493 PolarHBondContact O-N 2.87Å
490	E	71.5	Confident	67.1	Low	136 Å²	136	75.9 Å²	75.9	64%	0.636	41%	0.412	S	S	*	.	H	α-helix	trans	-61.6	-41.8	175.7	-74.2	173.3	-168.4	0	0	111.8	S486 E488 I492 E493 A494	S486-E490 WeakPolarHBondContact O-CG 3.24Å; S486-E490 PolarHBondContact O-N 3.42Å; E488-E490 PolarHBondContact O-N 3.04Å; E490-I492 VanDerWaalsContact C-N 3.33Å; E490-I492 PolarHBondContact O-N 2.74Å; E490-E493 PolarHBondContact O-N 3.21Å; E490-A494 VanDerWaalsContact O-CB 3.24Å; E490-A494 WeakPolarHBondContact O-CB 3.27Å; E490-A494 PolarHBondContact O-N 2.83Å
491	S	71.6	Confident	69.4	Low	42 Å²	42	79.2 Å²	79.2	29%	0.294	42%	0.419	S	S	.	.	H	α-helix	trans	-63.5	-38.3	176.9	77.3	0	0	0	0	112.6	A487 E488 K489 F495	A487-S491 WeakPolarHBondContact O-CB 3.17Å; A487-S491 PolarHBondContact O-N 3.13Å; E488-S491 WeakPolarHBondContact CA-OG 3.36Å; E488-S491 PolarHBondContact O-N 2.96Å; E488-S491 PolarHBondContact O-OG 3.28Å; K489-S491 VanDerWaalsContact C-N 3.35Å; K489-S491 PolarHBondContact O-N 3.36Å; S491-F495 WeakPolarHBondContact O-CB 3.1Å; S491-F495 PolarHBondContact O-N 2.97Å
492	I	76.8	Confident	70.9	Confident	18 Å²	18	75.5 Å²	75.5	9%	0.092	42%	0.419	C	S	.	.	H	α-helix	trans	-68.7	-46.3	177.3	-66.2	155.3	0	0	0	110.3	I484 E488 K489 E490 A494 F495 E496	I484-I492 HydrophobicContact CD1-CD1 4.05Å; I484-I492 HydrophobicContact CG2-CD1 3.93Å; E488-I492 VanDerWaalsContact O-CD1 3.24Å; E488-I492 WeakPolarHBondContact O-CD1 3.04Å; E488-I492 WeakPolarHBondContact O-CG1 2.92Å; E488-I492 PolarHBondContact O-N 3.36Å; K489-I492 PolarHBondContact O-N 2.86Å; E490-I492 VanDerWaalsContact C-N 3.33Å; E490-I492 PolarHBondContact O-N 2.74Å; I492-A494 VanDerWaalsContact C-N 3.34Å; I492-A494 PolarHBondContact O-N 2.93Å; I492-F495 WeakPolarHBondContact O-CB 3.38Å; I492-F495 PolarHBondContact O-N 2.95Å; I492-E496 PolarHBondContact O-N 3.45Å
493	E	78.4	Confident	72.5	Confident	119 Å²	119	76.3 Å²	76.3	56%	0.556	42%	0.416	S	S	*	.	H	α-helix	trans	-64.6	-39.2	178	-173.1	176.2	-177.2	0	0	111.6	K489 E490 E496 N497	K489-E493 WeakPolarHBondContact O-CB 3.48Å; K489-E493 PolarHBondContact O-N 2.87Å; E490-E493 PolarHBondContact O-N 3.21Å; E493-E496 PolarHBondContact O-N 3.19Å; E493-N497 VanDerWaalsContact O-CB 3.28Å; E493-N497 WeakPolarHBondContact O-CB 3.41Å; E493-N497 VanDerWaalsContact O-CG 3.24Å; E493-N497 PolarHBondContact O-N 3.37Å; E493-N497 PolarHBondContact O-ND2 3.45Å
494	A	76.3	Confident	74.1	Confident	57 Å²	57	71.7 Å²	71.7	47%	0.471	40%	0.402	S	S	.	.	H	α-helix	trans	-62.4	-43	173.8	0	0	0	0	0	111.8	E490 I492 F498	E490-A494 VanDerWaalsContact O-CB 3.24Å; E490-A494 WeakPolarHBondContact O-CB 3.27Å; E490-A494 PolarHBondContact O-N 2.83Å; I492-A494 VanDerWaalsContact C-N 3.34Å; I492-A494 PolarHBondContact O-N 2.93Å; A494-F498 WeakPolarHBondContact O-CB 3.44Å; A494-F498 PolarHBondContact O-N 3.15Å
495	F	83.3	Confident	75.4	Confident	6 Å²	6	79.6 Å²	79.6	3%	0.026	44%	0.438	C	S	.	.	H	α-helix	trans	-59.9	-50.3	173.4	162.6	-108.7	0	0	0	111.6	S491 I492 N497 F498 A499 F536 N569 F571 I636	S491-F495 WeakPolarHBondContact O-CB 3.1Å; S491-F495 PolarHBondContact O-N 2.97Å; I492-F495 WeakPolarHBondContact O-CB 3.38Å; I492-F495 PolarHBondContact O-N 2.95Å; F495-N497 PolarHBondContact O-N 3.09Å; F495-F498 PolarHBondContact O-N 3.1Å; F495-A499 HydrophobicContact CE2-CB 4.37Å; F495-A499 VanDerWaalsContact O-CB 3.23Å; F495-A499 WeakPolarHBondContact O-CB 3.45Å; F495-A499 PolarHBondContact O-N 3.46Å; F495-F536 HydrophobicContact CE1-CB 3.87Å; F495-F536 HydrophobicContact CZ-CB 3.77Å; F495-N569 HydrophobicContact CE2-CB 3.93Å; F495-N569 HydrophobicContact CZ-CB 4.17Å; F495-N569 WeakPolarHBondContact CZ-O 3.44Å; F495-F571 HydrophobicContact CB-CD1 4.39Å; F495-F571 HydrophobicContact CB-CD2 4.31Å; F495-F571 HydrophobicContact CB-CE2 4.46Å; F495-F571 HydrophobicContact CB-CG 4.27Å; F495-F571 HydrophobicContact CD1-CB 4.02Å; F495-F571 HydrophobicContact CD1-CD1 4.41Å; F495-F571 HydrophobicContact CD1-CG 4.25Å; F495-F571 HydrophobicContact CD2-CB 3.84Å; F495-F571 HydrophobicContact CD2-CD2 4.1Å; F495-F571 HydrophobicContact CD2-CG 4.05Å; F495-F571 HydrophobicContact CE1-CB 3.96Å; F495-F571 HydrophobicContact CE2-CB 3.78Å; F495-F571 HydrophobicContact CE2-CG 4.49Å; F495-F571 HydrophobicContact CG-CB 3.95Å; F495-F571 HydrophobicContact CG-CD1 4.3Å; F495-F571 HydrophobicContact CG-CD2 4.21Å; F495-F571 AromaticContact CG-CG 3.91Å; F495-F571 HydrophobicContact CG-CG 3.91Å; F495-F571 HydrophobicContact CZ-CB 3.83Å; F495-I636 HydrophobicContact CD2-CD1 3.72Å; F495-I636 HydrophobicContact CD2-CG1 3.72Å; F495-I636 HydrophobicContact CD2-CG2 4.23Å; F495-I636 HydrophobicContact CE2-CD1 4.46Å; F495-I636 HydrophobicContact CE2-CG1 4.22Å; F495-I636 HydrophobicContact CE2-CG2 3.9Å
496	E	82.6	Confident	76.7	Confident	70 Å²	70	79.8 Å²	79.8	33%	0.327	43%	0.434	S	S	.	.	H	α-helix	trans	-62.4	-42.2	179.1	-75.1	-170.7	-172.1	0	0	112.2	I492 E493 A499 R500	I492-E496 PolarHBondContact O-N 3.45Å; E493-E496 PolarHBondContact O-N 3.19Å; E496-A499 CarbonylContact O-C 3.56Å; E496-A499 PolarHBondContact O-N 3.35Å; E496-R500 WeakPolarHBondContact O-CB 3.42Å; E496-R500 PolarHBondContact O-N 3.29Å; E496-R500 IonicContact OE2-NH2 3.26Å; E496-R500 PolarHBondContact OE2-NH2 3.49Å
497	N	80.4	Confident	78	Confident	75 Å²	75	76.7 Å²	76.7	40%	0.401	41%	0.41	S	S	.	.	H	α-helix	trans	-65	-42.4	178.2	-76.3	-24.8	0	0	0	111.8	E493 F495 A499 R500 K501	E493-N497 VanDerWaalsContact O-CB 3.28Å; E493-N497 WeakPolarHBondContact O-CB 3.41Å; E493-N497 VanDerWaalsContact O-CG 3.24Å; E493-N497 PolarHBondContact O-N 3.37Å; E493-N497 PolarHBondContact O-ND2 3.45Å; F495-N497 PolarHBondContact O-N 3.09Å; N497-A499 VanDerWaalsContact C-N 3.32Å; N497-R500 PolarHBondContact O-N 3.24Å; N497-R500 PolarHBondContact OD1-NH1 3.17Å; N497-R500 VanDerWaalsContact OD1-NH1 3.12Å; N497-K501 PolarHBondContact O-N 2.79Å
498	F	79.4	Confident	79.4	Confident	100 Å²	100	75.7 Å²	75.7	44%	0.439	40%	0.401	S	S	.	.	H	α-helix	trans	-62	-42.4	172.5	178	-106.4	0	0	0	111.5	A494 F495 R500 K501 I636	A494-F498 WeakPolarHBondContact O-CB 3.44Å; A494-F498 PolarHBondContact O-N 3.15Å; F495-F498 PolarHBondContact O-N 3.1Å; F498-R500 VanDerWaalsContact C-N 3.33Å; F498-R500 PolarHBondContact O-N 3.16Å; F498-K501 PolarHBondContact O-N 3.1Å; F498-I636 HydrophobicContact CD1-CD1 3.81Å; F498-I636 HydrophobicContact CE1-CD1 4.11Å
499	A	82.9	Confident	80.6	Confident	3 Å²	3	76.2 Å²	76.2	3%	0.025	41%	0.409	C	S	.	.	H	α-helix	trans	-77.4	-11.7	178.9	0	0	0	0	0	114.1	F495 E496 N497 F536 R538 N569	F495-A499 HydrophobicContact CE2-CB 4.37Å; F495-A499 VanDerWaalsContact O-CB 3.23Å; F495-A499 WeakPolarHBondContact O-CB 3.45Å; F495-A499 PolarHBondContact O-N 3.46Å; E496-A499 CarbonylContact O-C 3.56Å; E496-A499 PolarHBondContact O-N 3.35Å; N497-A499 VanDerWaalsContact C-N 3.32Å; A499-F536 HydrophobicContact CB-CB 3.73Å; A499-F536 HydrophobicContact CB-CD1 3.6Å; A499-F536 HydrophobicContact CB-CE1 4.47Å; A499-F536 HydrophobicContact CB-CG 3.79Å; A499-F536 WeakPolarHBondContact O-CD1 3.4Å; A499-F536 VanDerWaalsContact O-CE1 3.29Å; A499-F536 WeakPolarHBondContact O-CE1 3.29Å; A499-R538 VanDerWaalsContact C-NH2 3.29Å; A499-R538 PolarHBondContact O-NE 3.31Å; A499-R538 PolarHBondContact O-NH2 3.01Å; A499-N569 HydrophobicContact CB-CB 4.31Å
500	R	83.9	Confident	81.3	Confident	111 Å²	111	74.1 Å²	74.1	42%	0.419	40%	0.4	S	S	.	.	H	α-helix	trans	-96.8	-19.2	173.5	-167.5	-179.6	-63.5	124.9	2.2	112.8	E496 N497 F498 G502 M503 R538	E496-R500 WeakPolarHBondContact O-CB 3.42Å; E496-R500 PolarHBondContact O-N 3.29Å; E496-R500 IonicContact OE2-NH2 3.26Å; E496-R500 PolarHBondContact OE2-NH2 3.49Å; N497-R500 PolarHBondContact O-N 3.24Å; N497-R500 PolarHBondContact OD1-NH1 3.17Å; N497-R500 VanDerWaalsContact OD1-NH1 3.12Å; F498-R500 VanDerWaalsContact C-N 3.33Å; F498-R500 PolarHBondContact O-N 3.16Å; R500-G502 PolarHBondContact O-N 3.46Å; R500-M503 PolarHBondContact O-N 3.2Å; R500-R538 PolarHBondContact O-NH2 2.94Å
501	K	80.8	Confident	82	Confident	168 Å²	168	70.5 Å²	70.5	73%	0.73	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	131.4	175.3	-165.8	170.6	-177.5	173.6	0	111.6	N497 F498 R538	N497-K501 PolarHBondContact O-N 2.79Å; F498-K501 PolarHBondContact O-N 3.1Å; K501-R538 PolarHBondContact O-NH2 3.4Å
502	G	77.7	Confident	82.8	Confident	67 Å²	67	73.4 Å²	73.4	69%	0.691	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	27.9	178.1	0	0	0	0	0	115.3	R500 G504 R538	R500-G502 PolarHBondContact O-N 3.46Å; G502-G504 PolarHBondContact O-N 3.48Å; G502-R538 PolarHBondContact O-NH1 3.46Å
503	M	77.2	Confident	83.3	Confident	86 Å²	86	75.8 Å²	75.8	42%	0.424	42%	0.42	S	S	.	.			trans	-74.6	117.6	168.8	-171.7	176.1	161.6	0	0	109.7	R500 E507 R538	R500-M503 PolarHBondContact O-N 3.2Å; M503-E507 VanDerWaalsContact CE-O 3.22Å; M503-E507 WeakPolarHBondContact CE-O 3.5Å; M503-E507 HydrophobicContact CG-CB 4.28Å; M503-R538 VanDerWaalsContact CA-NH1 3.28Å
504	G	80.5	Confident	83.7	Confident	42 Å²	42	72.4 Å²	72.4	43%	0.433	40%	0.404	S	S	.	.			trans	-95.5	176.3	173.1	0	0	0	0	0	112.3	G502 D506 E507	G502-G504 PolarHBondContact O-N 3.48Å; G504-D506 PolarHBondContact O-N 3.1Å; G504-E507 PolarHBondContact O-N 3.26Å
505	E	81.4	Confident	84	Confident	193 Å²	193	74.9 Å²	74.9	90%	0.902	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.7	-178.6	-63	-175.7	163.7	0	0	114.3
506	D	85	Confident	83.6	Confident	72 Å²	72	76.7 Å²	76.7	39%	0.385	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-3.3	178.3	-74.7	-32.9	0	0	0	113.7	G504 T541 K561	G504-D506 PolarHBondContact O-N 3.1Å; D506-T541 WeakPolarHBondContact CB-O 3.37Å; D506-T541 PolarHBondContact O-N 3.49Å; D506-T541 PolarHBondContact O-OG1 3.32Å; D506-K561 IonicContact OD1-NZ 3.58Å; D506-K561 PolarHBondContact OD1-NZ 3.12Å; D506-K561 VanDerWaalsContact OD1-NZ 3.08Å
507	E	89.8	Confident	82.7	Confident	25 Å²	25	80.8 Å²	80.8	12%	0.117	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.6	176.8	-64.3	-174.7	-179.3	0	0	110.5	M503 G504 R538 V539 H540 K567	M503-E507 VanDerWaalsContact CE-O 3.22Å; M503-E507 WeakPolarHBondContact CE-O 3.5Å; M503-E507 HydrophobicContact CG-CB 4.28Å; G504-E507 PolarHBondContact O-N 3.26Å; E507-R538 WeakPolarHBondContact OE2-CD 3.24Å; E507-R538 IonicContact OE2-CZ 3.24Å; E507-R538 IonicContact OE2-NH1 3.73Å; E507-R538 PolarHBondContact OE2-NH1 3.42Å; E507-V539 WeakPolarHBondContact CA-O 3.31Å; E507-H540 HydrophobicContact CG-CB 4.49Å; E507-K567 WeakPolarHBondContact OE1-CE 3.27Å; E507-K567 IonicContact OE1-NZ 2.9Å; E507-K567 PolarHBondContact OE1-NZ 2.91Å; E507-K567 IonicContact OE2-NZ 3.65Å; E507-K567 PolarHBondContact OE2-NZ 3.42Å
508	A	90.6	Very high	81.5	Confident	43 Å²	43	84.2 Å²	84.2	36%	0.355	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	149.3	174.1	0	0	0	0	0	110.3	R538 V539	A508-R538 CarbonylContact O-C 3.51Å; A508-R538 VanDerWaalsContact O-CA 3.26Å; A508-R538 WeakPolarHBondContact O-CA 3.2Å; A508-V539 HydrophobicContact CB-CG1 4.04Å; A508-V539 PolarHBondContact N-O 3.49Å; A508-V539 WeakPolarHBondContact O-CG1 3.47Å; A508-V539 PolarHBondContact O-N 3.19Å
509	T	89.6	Confident	80	Confident	77 Å²	77	88 Å²	88	47%	0.472	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	140.7	173.3	-40	0	0	0	0	110	F536 N537	T509-F536 HydrophobicContact CG2-CE1 4.39Å; T509-F536 HydrophobicContact CG2-CE2 4.1Å; T509-F536 HydrophobicContact CG2-CZ 3.97Å; T509-N537 WeakPolarHBondContact CA-O 3.06Å; T509-N537 WeakPolarHBondContact CG2-O 3.19Å
510	F	87.6	Confident	78.2	Confident	46 Å²	46	94.6 Å²	94.6	20%	0.202	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	127.1	178.1	168.2	-97.4	0	0	0	109.9	V512 N537 V539 F613	F510-V512 HydrophobicContact CD2-CB 4.5Å; F510-V512 HydrophobicContact CD2-CG2 4.44Å; F510-V512 HydrophobicContact CE2-CB 3.65Å; F510-V512 HydrophobicContact CE2-CG2 3.94Å; F510-V512 HydrophobicContact CZ-CB 3.83Å; F510-V512 VanDerWaalsContact CZ-O 3.24Å; F510-V512 WeakPolarHBondContact CZ-O 3.33Å; F510-N537 PolarHBondContact N-O 3.06Å; F510-N537 WeakPolarHBondContact O-CB 3.46Å; F510-V539 HydrophobicContact CB-CB 4.45Å; F510-V539 HydrophobicContact CB-CG1 4.25Å; F510-F613 HydrophobicContact CD1-CD1 4.4Å; F510-F613 HydrophobicContact CE1-CB 4.03Å; F510-F613 AromaticContact CE1-CD1 3.74Å; F510-F613 HydrophobicContact CE1-CD1 3.74Å; F510-F613 HydrophobicContact CE1-CG 4.23Å
511	A	87	Confident	76.5	Confident	61 Å²	61	92.5 Å²	92.5	50%	0.504	51%	0.513	S	S	.	.			trans	-135.6	14.7	-174.6	0	0	0	0	0	113.8	E513 Y535	A511-E513 PolarHBondContact O-N 3.01Å; A511-E513 VanDerWaalsContact O-N 3.14Å; A511-Y535 HydrophobicContact CB-CE2 4.16Å; A511-Y535 PolarHBondContact O-OH 3.02Å
512	V	87.7	Confident	74.7	Confident	103 Å²	103	90.3 Å²	90.3	62%	0.624	51%	0.507	S	S	*	.			trans	-78.8	103.2	179.5	-174.7	0	0	0	0	109	F510	F510-V512 HydrophobicContact CD2-CB 4.5Å; F510-V512 HydrophobicContact CD2-CG2 4.44Å; F510-V512 HydrophobicContact CE2-CB 3.65Å; F510-V512 HydrophobicContact CE2-CG2 3.94Å; F510-V512 HydrophobicContact CZ-CB 3.83Å; F510-V512 VanDerWaalsContact CZ-O 3.24Å; F510-V512 WeakPolarHBondContact CZ-O 3.33Å
513	E	87.1	Confident	73.2	Confident	68 Å²	68	96.4 Å²	96.4	32%	0.318	51%	0.509	S	S	.	.	B	Isolated β-bridge	trans	-73.3	142.8	174.4	-59.7	-178.6	-161.5	0	0	111.3	A511 K532 Y535 A612 F613	A511-E513 PolarHBondContact O-N 3.01Å; A511-E513 VanDerWaalsContact O-N 3.14Å; E513-K532 IonicContact OE1-NZ 2.71Å; E513-K532 PolarHBondContact OE1-NZ 2.97Å; E513-K532 WeakPolarHBondContact OE2-CE 3.4Å; E513-K532 IonicContact OE2-NZ 2.79Å; E513-K532 PolarHBondContact OE2-NZ 3.13Å; E513-Y535 HydrophobicContact CG-CE1 4.11Å; E513-Y535 WeakPolarHBondContact CG-OH 3.48Å; E513-Y535 WeakPolarHBondContact OE1-CE1 3.39Å; E513-Y535 VanDerWaalsContact OE1-CZ 3.27Å; E513-Y535 PolarHBondContact OE1-OH 2.97Å; E513-A612 CarbonylContact C-O 3.6Å; E513-A612 WeakPolarHBondContact CA-O 3.33Å; E513-F613 HydrophobicContact CG-CE1 3.96Å
514	H	87.5	Confident	71.7	Confident	47 Å²	47	97.1 Å²	97.1	22%	0.218	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-89.4	127.2	166.6	-166.3	-57.3	0	0	0	108.5	V516 I596 A612	H514-V516 PolarHBondContact O-N 3.19Å; H514-V516 VanDerWaalsContact O-N 3.14Å; H514-I596 HydrophobicContact CB-CG2 4.2Å; H514-I596 VanDerWaalsContact NE2-CD1 3.29Å; H514-I596 WeakPolarHBondContact NE2-CD1 3.48Å; H514-A612 HydrophobicContact CB-CB 4.39Å; H514-A612 PolarHBondContact N-O 2.89Å
515	P	82.8	Confident	70.1	Confident	109 Å²	109	96.7 Å²	96.7	71%	0.708	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-61	119.9	172.7	25.3	-32.5	0	0	0	108.9
516	V	73.3	Confident	68.6	Low	45 Å²	45	94.7 Å²	94.7	27%	0.273	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-78.9	128	171.7	-177.6	0	0	0	0	106.4	H514 Q518 K598 A612	H514-V516 PolarHBondContact O-N 3.19Å; H514-V516 VanDerWaalsContact O-N 3.14Å; V516-Q518 PolarHBondContact O-N 3.1Å; V516-K598 HydrophobicContact CG1-CD 4.16Å; V516-K598 HydrophobicContact CG2-CD 4.43Å; V516-A612 HydrophobicContact CG2-CB 3.36Å
517	E	65	Low	67.1	Low	156 Å²	156	100.1 Å²	100.1	73%	0.729	51%	0.508	S	S	*	.			trans	-53.2	112.1	168.2	-76.4	174.9	-177.4	0	0	107	Q519 K589	E517-Q519 VanDerWaalsContact C-N 3.3Å; E517-Q519 PolarHBondContact O-N 3.46Å; E517-K589 IonicContact OE1-NZ 3.83Å
518	Q	55	Low	65.1	Low	146 Å²	146	106.3 Å²	106.3	68%	0.682	53%	0.534	S	S	*	.			trans	-67	91.6	-178.4	-67.1	175.7	-30.6	0	0	107.2	V516 D520 V521	V516-Q518 PolarHBondContact O-N 3.1Å; Q518-D520 PolarHBondContact O-N 3.5Å; Q518-V521 HydrophobicContact CB-CG2 4.47Å
519	Q	48.7	Very low	63.5	Low	179 Å²	179	111.4 Å²	111.4	84%	0.836	56%	0.555	S	S	*	*			trans	-61.8	111.6	162.7	-90.2	-174.2	-67.9	0	0	106.3	E517	E517-Q519 VanDerWaalsContact C-N 3.3Å; E517-Q519 PolarHBondContact O-N 3.46Å
520	D	45	Very low	61.9	Low	143 Å²	143	109.4 Å²	109.4	77%	0.765	54%	0.544	S	S	*	.			trans	29.8	95	171.5	-60.3	-36.9	0	0	0	113.9	Q518 M522	Q518-D520 PolarHBondContact O-N 3.5Å; D520-M522 PolarHBondContact O-N 3.11Å
521	V	47.2	Very low	61.2	Low	66 Å²	66	112.8 Å²	112.8	40%	0.4	56%	0.555	S	S	.	*			trans	-54.4	94.6	158.8	-177.8	0	0	0	0	106.2	Q518 R523	Q518-V521 HydrophobicContact CB-CG2 4.47Å; V521-R523 PolarHBondContact O-N 3.4Å
522	M	43.9	Very low	61	Low	122 Å²	122	114.9 Å²	114.9	60%	0.601	55%	0.553	S	S	*	*			trans	-56.9	134.5	178.4	-78	-179.4	167	0	0	107.8	D520 W524 S525	D520-M522 PolarHBondContact O-N 3.11Å; M522-W524 PolarHBondContact O-N 2.94Å; M522-W524 HydrophobicContact SD-CZ2 4.36Å; M522-S525 PolarHBondContact O-N 3.36Å
523	R	44.7	Very low	61	Low	195 Å²	195	110.2 Å²	110.2	74%	0.736	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	10.2	-171.1	-95.7	-164.2	174.9	172.4	-1.9	117.7	E272 V521	E272-R523 IonicContact OE1-CZ 2.61Å; E272-R523 IonicContact OE1-NH1 3.23Å; E272-R523 PolarHBondContact OE1-NH1 2.94Å; E272-R523 IonicContact OE1-NH2 3.1Å; E272-R523 IonicContact OE2-NH1 3.69Å; E272-R523 PolarHBondContact OE2-NH1 3.45Å; V521-R523 PolarHBondContact O-N 3.4Å
524	W	46.2	Very low	61.1	Low	102 Å²	102	111.2 Å²	111.2	39%	0.386	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	2.5	177.3	47.2	-85.4	0	0	0	114.4	M522 D526 R527 E606	M522-W524 PolarHBondContact O-N 2.94Å; M522-W524 HydrophobicContact SD-CZ2 4.36Å; W524-D526 PolarHBondContact O-N 3.17Å; W524-R527 PolarHBondContact O-N 3.04Å; W524-R527 VanDerWaalsContact O-N 3.13Å; W524-E606 HydrophobicContact CH2-CG 3.5Å; W524-E606 VanDerWaalsContact CH2-CG 3.5Å; W524-E606 WeakPolarHBondContact CH2-OE1 3.41Å; W524-E606 HydrophobicContact CZ2-CG 4.31Å; W524-E606 HydrophobicContact CZ3-CG 4.01Å; W524-E606 WeakPolarHBondContact CZ3-OE1 3.39Å
525	S	46.3	Very low	61.3	Low	33 Å²	33	111.4 Å²	111.4	23%	0.231	52%	0.524	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-17.3	172.6	56.1	0	0	0	0	114.8	M522 R527	M522-S525 PolarHBondContact O-N 3.36Å; S525-R527 VanDerWaalsContact C-N 3.34Å
526	D	51.4	Low	61.7	Low	150 Å²	150	107.3 Å²	107.3	80%	0.802	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-20.8	179.8	-65.2	-21.8	0	0	0	113.4	W524	W524-D526 PolarHBondContact O-N 3.17Å
527	R	52.3	Low	62.7	Low	186 Å²	186	105.3 Å²	105.3	70%	0.702	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-32.2	-177.7	-66.5	-165.9	-66.8	-96.4	1.6	113.8	W524 S525	W524-R527 PolarHBondContact O-N 3.04Å; W524-R527 VanDerWaalsContact O-N 3.13Å; S525-R527 VanDerWaalsContact C-N 3.34Å
528	F	48.8	Very low	64.1	Low	155 Å²	155	98.3 Å²	98.3	68%	0.68	45%	0.45	S	S	*	.	S	Bend	trans	-141.1	123.3	178.5	-64.8	-78.2	0	0	0	108.6	P530	F528-P530 WeakPolarHBondContact O-CD 3.2Å; F528-P530 VanDerWaalsContact O-N 3.15Å
529	L	56	Low	65.9	Low	151 Å²	151	92.2 Å²	92.2	79%	0.791	42%	0.423	S	S	*	.			trans	-64.6	113.1	171	-129	76.8	0	0	0	107.4	R531	L529-R531 PolarHBondContact O-N 2.94Å
530	P	56.7	Low	68	Low	35 Å²	35	85.3 Å²	85.3	23%	0.227	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-64.2	133.9	-176.6	17.2	-17.9	0	0	0	109.8	F528 K532 E606 C609	F528-P530 WeakPolarHBondContact O-CD 3.2Å; F528-P530 VanDerWaalsContact O-N 3.15Å; P530-K532 PolarHBondContact O-N 3.42Å; P530-E606 HydrophobicContact CB-CB 4.25Å; P530-E606 HydrophobicContact CB-CG 4.35Å; P530-C609 VanDerWaalsContact CB-SG 3.53Å; P530-C609 PolarHBondContact O-SG 2.85Å
531	R	72.7	Confident	70.2	Confident	117 Å²	117	79.7 Å²	79.7	44%	0.442	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-80.4	120.4	-172.2	-75.2	-167.3	166.6	-138.4	-7.2	109.5	E488 L529 D574 Y605	E488-R531 IonicContact OE1-CZ 3.86Å; E488-R531 IonicContact OE1-NH1 3.54Å; E488-R531 PolarHBondContact OE1-NH1 3.03Å; E488-R531 VanDerWaalsContact OE1-NH1 3.13Å; E488-R531 IonicContact OE1-NH2 2.75Å; L529-R531 PolarHBondContact O-N 2.94Å; R531-D574 VanDerWaalsContact CD-OD2 3.28Å; R531-D574 WeakPolarHBondContact CD-OD2 2.9Å; R531-D574 IonicContact CZ-OD2 2.6Å; R531-D574 IonicContact NE-OD2 3.38Å; R531-D574 IonicContact NH1-OD2 3.79Å; R531-D574 PolarHBondContact NH1-OD2 3.18Å; R531-Y605 HydrophobicContact CB-CE1 4.32Å; R531-Y605 WeakPolarHBondContact O-CD1 3.38Å; R531-Y605 WeakPolarHBondContact O-CE1 3.47Å
532	K	82.5	Confident	72.3	Confident	105 Å²	105	76.7 Å²	76.7	46%	0.457	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-78.2	131.9	173.9	-166.6	-179.9	-172.2	-176	0	110.8	E513 P530 V611	E513-K532 IonicContact OE1-NZ 2.71Å; E513-K532 PolarHBondContact OE1-NZ 2.97Å; E513-K532 WeakPolarHBondContact OE2-CE 3.4Å; E513-K532 IonicContact OE2-NZ 2.79Å; E513-K532 PolarHBondContact OE2-NZ 3.13Å; P530-K532 PolarHBondContact O-N 3.42Å; K532-V611 HydrophobicContact CG-CG1 4.28Å
533	P	88.5	Confident	74.5	Confident	5 Å²	5	74.4 Å²	74.4	3%	0.032	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-68.4	147.4	175.8	30.5	-33.7	0	0	0	111	V570 F571 Y572 Y605 C609 V611	P533-V570 HydrophobicContact CB-CG1 3.88Å; P533-V570 HydrophobicContact CG-CG1 4.25Å; P533-F571 WeakPolarHBondContact CB-O 3.27Å; P533-Y572 HydrophobicContact CB-CD1 3.66Å; P533-Y572 HydrophobicContact CB-CE1 3.32Å; P533-Y572 HydrophobicContact CB-CE2 4.49Å; P533-Y572 HydrophobicContact CB-CG 4.37Å; P533-Y572 HydrophobicContact CG-CD1 4.4Å; P533-Y572 HydrophobicContact CG-CE1 3.61Å; P533-Y605 HydrophobicContact CB-CD1 4.14Å; P533-Y605 HydrophobicContact CB-CE1 3.98Å; P533-Y605 HydrophobicContact CG-CD1 4.39Å; P533-C609 VanDerWaalsContact CD-O 3.23Å; P533-C609 WeakPolarHBondContact CD-O 3.46Å; P533-V611 HydrophobicContact CG-CG1 3.88Å; P533-V611 HydrophobicContact CG-CG2 4Å
534	R	87.8	Confident	76.5	Confident	89 Å²	89	68.5 Å²	68.5	34%	0.336	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	155.8	173.2	-65.2	176.3	177.9	-112.6	-1.3	109	I484 V570 F571	I484-R534 VanDerWaalsContact CD1-NH2 3.33Å; R534-V570 CarbonylContact O-C 3.43Å; R534-F571 HydrophobicContact CB-CB 4.28Å; R534-F571 HydrophobicContact CB-CD1 4.43Å; R534-F571 PolarHBondContact N-O 3.3Å; R534-F571 PolarHBondContact O-N 3.16Å
535	Y	92.5	Very high	78.4	Confident	50 Å²	50	67.8 Å²	67.8	20%	0.196	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	156.5	178.1	57	-92.8	0	0	0	111.5	A511 E513 N537 N569 V611 F613	A511-Y535 HydrophobicContact CB-CE2 4.16Å; A511-Y535 PolarHBondContact O-OH 3.02Å; E513-Y535 HydrophobicContact CG-CE1 4.11Å; E513-Y535 WeakPolarHBondContact CG-OH 3.48Å; E513-Y535 WeakPolarHBondContact OE1-CE1 3.39Å; E513-Y535 VanDerWaalsContact OE1-CZ 3.27Å; E513-Y535 PolarHBondContact OE1-OH 2.97Å; Y535-N537 VanDerWaalsContact CD2-ND2 3.34Å; Y535-N537 WeakPolarHBondContact CD2-ND2 3.39Å; Y535-N569 CarbonylContact C-O 3.56Å; Y535-N569 WeakPolarHBondContact CA-O 2.89Å; Y535-N569 WeakPolarHBondContact CB-O 3.26Å; Y535-V611 HydrophobicContact CD1-CB 4.41Å; Y535-V611 HydrophobicContact CD1-CG1 4.05Å; Y535-V611 HydrophobicContact CD1-CG2 4.47Å; Y535-V611 HydrophobicContact CE1-CG1 4.08Å; Y535-F613 AromaticContact CD1-CZ 3.79Å; Y535-F613 HydrophobicContact CD1-CZ 3.79Å; Y535-F613 HydrophobicContact CD2-CE1 4.01Å; Y535-F613 AromaticContact CD2-CZ 3.63Å; Y535-F613 HydrophobicContact CD2-CZ 3.63Å; Y535-F613 HydrophobicContact CE1-CE1 4.32Å; Y535-F613 AromaticContact CE1-CZ 3.84Å; Y535-F613 HydrophobicContact CE1-CZ 3.84Å; Y535-F613 AromaticContact CE2-CE1 3.67Å; Y535-F613 HydrophobicContact CE2-CE1 3.67Å; Y535-F613 AromaticContact CE2-CZ 3.7Å; Y535-F613 HydrophobicContact CE2-CZ 3.7Å; Y535-F613 HydrophobicContact CG-CE1 4.49Å; Y535-F613 AromaticContact CG-CZ 3.7Å; Y535-F613 HydrophobicContact CG-CZ 3.7Å; Y535-F613 AromaticContact CZ-CE1 3.85Å; Y535-F613 AromaticContact CZ-CZ 3.81Å
536	F	92.2	Very high	80.1	Confident	24 Å²	24	69.2 Å²	69.2	11%	0.105	31%	0.314	C	S	.	.			trans	-138.2	91	173.1	-169.7	-83.5	0	0	0	107.9	F495 A499 T509 R538 N569	F495-F536 HydrophobicContact CE1-CB 3.87Å; F495-F536 HydrophobicContact CZ-CB 3.77Å; A499-F536 HydrophobicContact CB-CB 3.73Å; A499-F536 HydrophobicContact CB-CD1 3.6Å; A499-F536 HydrophobicContact CB-CE1 4.47Å; A499-F536 HydrophobicContact CB-CG 3.79Å; A499-F536 WeakPolarHBondContact O-CD1 3.4Å; A499-F536 VanDerWaalsContact O-CE1 3.29Å; A499-F536 WeakPolarHBondContact O-CE1 3.29Å; T509-F536 HydrophobicContact CG2-CE1 4.39Å; T509-F536 HydrophobicContact CG2-CE2 4.1Å; T509-F536 HydrophobicContact CG2-CZ 3.97Å; F536-R538 HydrophobicContact CD1-CG 4.35Å; F536-R538 HydrophobicContact CE1-CG 4.03Å; F536-N569 PolarHBondContact N-O 3.04Å; F536-N569 WeakPolarHBondContact O-CB 3.37Å; F536-N569 PolarHBondContact O-ND2 3.47Å
537	N	93.8	Very high	81.4	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.011	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	142.9	-175.3	-53.2	-33.5	0	0	0	110.7	T509 F510 Y535 K567 F568 N569 F613	T509-N537 WeakPolarHBondContact CA-O 3.06Å; T509-N537 WeakPolarHBondContact CG2-O 3.19Å; F510-N537 PolarHBondContact N-O 3.06Å; F510-N537 WeakPolarHBondContact O-CB 3.46Å; Y535-N537 VanDerWaalsContact CD2-ND2 3.34Å; Y535-N537 WeakPolarHBondContact CD2-ND2 3.39Å; N537-K567 CarbonylContact C-O 3.58Å; N537-K567 WeakPolarHBondContact CA-O 3.41Å; N537-F568 HydrophobicContact CB-CD1 3.99Å; N537-F568 HydrophobicContact CB-CE1 4.29Å; N537-F568 WeakPolarHBondContact OD1-CA 3.26Å; N537-F568 WeakPolarHBondContact OD1-CD1 3.48Å; N537-N569 PolarHBondContact OD1-N 3.37Å; N537-F613 VanDerWaalsContact ND2-CE1 3.26Å; N537-F613 WeakPolarHBondContact ND2-CE1 3.32Å; N537-F613 VanDerWaalsContact ND2-CE2 3.28Å; N537-F613 WeakPolarHBondContact ND2-CE2 3.5Å; N537-F613 WeakPolarHBondContact ND2-CZ 3.39Å
538	R	93	Very high	82.9	Confident	9 Å²	9	66.2 Å²	66.2	3%	0.034	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	145.1	173.4	-51.5	178.6	-175.6	-179	0.1	110.4	A499 R500 K501 G502 M503 E507 A508 F536 K567	A499-R538 VanDerWaalsContact C-NH2 3.29Å; A499-R538 PolarHBondContact O-NE 3.31Å; A499-R538 PolarHBondContact O-NH2 3.01Å; R500-R538 PolarHBondContact O-NH2 2.94Å; K501-R538 PolarHBondContact O-NH2 3.4Å; G502-R538 PolarHBondContact O-NH1 3.46Å; M503-R538 VanDerWaalsContact CA-NH1 3.28Å; E507-R538 WeakPolarHBondContact OE2-CD 3.24Å; E507-R538 IonicContact OE2-CZ 3.24Å; E507-R538 IonicContact OE2-NH1 3.73Å; E507-R538 PolarHBondContact OE2-NH1 3.42Å; A508-R538 CarbonylContact O-C 3.51Å; A508-R538 VanDerWaalsContact O-CA 3.26Å; A508-R538 WeakPolarHBondContact O-CA 3.2Å; F536-R538 HydrophobicContact CD1-CG 4.35Å; F536-R538 HydrophobicContact CE1-CG 4.03Å; R538-K567 HydrophobicContact CB-CB 4.24Å; R538-K567 PolarHBondContact N-O 2.95Å; R538-K567 PolarHBondContact O-N 3.16Å
539	V	94	Very high	84.7	Confident	18 Å²	18	59.8 Å²	59.8	11%	0.109	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.2	170.4	62.5	0	0	0	0	108.6	E507 A508 F510 T541 V563 Y566	E507-V539 WeakPolarHBondContact CA-O 3.31Å; A508-V539 HydrophobicContact CB-CG1 4.04Å; A508-V539 PolarHBondContact N-O 3.49Å; A508-V539 WeakPolarHBondContact O-CG1 3.47Å; A508-V539 PolarHBondContact O-N 3.19Å; F510-V539 HydrophobicContact CB-CB 4.45Å; F510-V539 HydrophobicContact CB-CG1 4.25Å; V539-T541 HydrophobicContact CG1-CG2 4.14Å; V539-T541 HydrophobicContact CG2-CG2 4.19Å; V539-V563 HydrophobicContact CG2-CB 4.15Å; V539-V563 HydrophobicContact CG2-CG1 3.39Å; V539-V563 HydrophobicContact CG2-CG2 3.73Å; V539-Y566 HydrophobicContact CB-CD1 4.13Å; V539-Y566 HydrophobicContact CB-CE1 4.12Å; V539-Y566 HydrophobicContact CG2-CD1 3.99Å; V539-Y566 HydrophobicContact CG2-CE1 3.68Å
540	H	92.4	Very high	86.1	Confident	34 Å²	34	57 Å²	57	16%	0.157	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	114.9	172.5	-171.7	59.4	0	0	0	108	E507 Q564 G565	E507-H540 HydrophobicContact CG-CB 4.49Å; H540-Q564 PolarHBondContact O-N 3.45Å; H540-G565 PolarHBondContact N-O 3.02Å; H540-G565 PolarHBondContact O-N 3.25Å
541	T	91.9	Very high	87.4	Confident	26 Å²	26	60.1 Å²	60.1	16%	0.16	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	150	-179.5	64.7	0	0	0	0	109.5	D506 V539 K561 I562	D506-T541 WeakPolarHBondContact CB-O 3.37Å; D506-T541 PolarHBondContact O-N 3.49Å; D506-T541 PolarHBondContact O-OG1 3.32Å; V539-T541 HydrophobicContact CG1-CG2 4.14Å; V539-T541 HydrophobicContact CG2-CG2 4.19Å; T541-K561 WeakPolarHBondContact OG1-CD 3.5Å; T541-I562 CarbonylContact C-O 3.51Å; T541-I562 WeakPolarHBondContact CA-O 3.43Å
542	G	90.5	Very high	88.1	Confident	3 Å²	3	60.1 Å²	60.1	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	170.7	173.2	0	0	0	0	0	112	I562	G542-I562 PolarHBondContact N-O 2.75Å; G542-I562 WeakPolarHBondContact O-CG1 3.47Å; G542-I562 PolarHBondContact O-N 3.22Å
543	F	89.9	Confident	88.4	Confident	74 Å²	74	58.8 Å²	58.8	33%	0.325	27%	0.267	S	S	.	.			trans	-78.6	124.6	-178.1	-54.6	-63.6	0	0	0	110.6	P558 P559 K561	F543-P558 HydrophobicContact CD1-CB 3.86Å; F543-P558 HydrophobicContact CD1-CG 4.44Å; F543-P558 HydrophobicContact CD2-CB 4.47Å; F543-P558 HydrophobicContact CE1-CB 3.67Å; F543-P558 HydrophobicContact CE1-CG 3.74Å; F543-P558 HydrophobicContact CE2-CB 4.32Å; F543-P558 HydrophobicContact CE2-CG 4.37Å; F543-P558 HydrophobicContact CG-CB 4.24Å; F543-P558 HydrophobicContact CZ-CB 3.91Å; F543-P558 HydrophobicContact CZ-CG 3.69Å; F543-P559 HydrophobicContact CB-CG 4.27Å; F543-P559 HydrophobicContact CD1-CG 4.32Å; F543-P559 WeakPolarHBondContact CD1-O 3.45Å; F543-P559 WeakPolarHBondContact CE1-O 3.4Å; F543-K561 HydrophobicContact CD1-CG 3.79Å; F543-K561 HydrophobicContact CE1-CB 4.47Å; F543-K561 HydrophobicContact CE1-CD 4.29Å; F543-K561 HydrophobicContact CE1-CG 3.34Å; F543-K561 HydrophobicContact CZ-CD 4.27Å; F543-K561 HydrophobicContact CZ-CG 3.8Å
544	E	87.2	Confident	88.4	Confident	70 Å²	70	63.8 Å²	63.8	33%	0.327	29%	0.294	S	S	.	.			trans	-94.8	100.4	168.1	-176.3	165.4	-131.9	0	0	109.1	N546 N549 I562 R618	E544-N546 HydrophobicContact CG-CB 4.36Å; E544-N546 PolarHBondContact O-N 3.34Å; E544-N549 PolarHBondContact O-ND2 3.37Å; E544-I562 HydrophobicContact CB-CD1 3.54Å; E544-I562 HydrophobicContact CB-CG1 3.64Å; E544-I562 HydrophobicContact CG-CD1 4.2Å; E544-I562 WeakPolarHBondContact OE2-CD1 3.36Å; E544-R618 IonicContact OE1-NH1 3.52Å
545	W	85.8	Confident	88.2	Confident	87 Å²	87	66.9 Å²	66.9	33%	0.33	32%	0.316	S	S	.	.			trans	-78.4	63.7	175.4	-68.7	104.9	0	0	0	110.9	Q550 Y553 L555 P558 P559	W545-Q550 HydrophobicContact CB-CG 4.12Å; W545-Q550 HydrophobicContact CE3-CG 4.02Å; W545-Q550 PolarHBondContact O-NE2 3.11Å; W545-Y553 WeakPolarHBondContact CZ3-O 3.39Å; W545-L555 HydrophobicContact CZ2-CD2 4.49Å; W545-P558 HydrophobicContact CH2-CB 4.27Å; W545-P558 HydrophobicContact CZ2-CB 3.97Å; W545-P559 HydrophobicContact CD2-CG 4.41Å; W545-P559 HydrophobicContact CE3-CG 4.32Å; W545-P559 HydrophobicContact CH2-CG 4.39Å; W545-P559 HydrophobicContact CZ2-CG 4.45Å; W545-P559 HydrophobicContact CZ3-CG 4.31Å
546	N	82.6	Confident	88.1	Confident	64 Å²	64	71.6 Å²	71.6	34%	0.342	35%	0.345	S	S	.	.			trans	-68.8	166.7	168.2	74.9	27.8	0	0	0	109.9	E544 Y548 N549 Q550	E544-N546 HydrophobicContact CG-CB 4.36Å; E544-N546 PolarHBondContact O-N 3.34Å; N546-Y548 PolarHBondContact O-N 3Å; N546-Y548 WeakPolarHBondContact OD1-CA 3.43Å; N546-Y548 WeakPolarHBondContact OD1-CB 3.37Å; N546-Y548 PolarHBondContact OD1-N 3.39Å; N546-N549 PolarHBondContact O-N 3.44Å; N546-N549 VanDerWaalsContact O-N 3.14Å; N546-N549 WeakPolarHBondContact OD1-CB 3.3Å; N546-N549 VanDerWaalsContact OD1-CG 3.25Å; N546-N549 PolarHBondContact OD1-N 2.97Å; N546-Q550 WeakPolarHBondContact O-CG 3.22Å; N546-Q550 PolarHBondContact O-N 3.27Å
547	K	78.9	Confident	88	Confident	126 Å²	126	75.9 Å²	75.9	55%	0.548	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.3	-175.2	-167	170.9	-165.5	98.6	0	113.7	D123 T551	D123-K547 IonicContact OD2-NZ 3.31Å; D123-K547 PolarHBondContact OD2-NZ 3.11Å; K547-T551 WeakPolarHBondContact O-CG2 3.36Å; K547-T551 PolarHBondContact O-OG1 3.12Å
548	Y	82.6	Confident	87.8	Confident	147 Å²	147	78.1 Å²	78.1	58%	0.576	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-45.8	175.2	176.2	-95	0	0	0	110.9	N546 Q550 T551 H552	N546-Y548 PolarHBondContact O-N 3Å; N546-Y548 WeakPolarHBondContact OD1-CA 3.43Å; N546-Y548 WeakPolarHBondContact OD1-CB 3.37Å; N546-Y548 PolarHBondContact OD1-N 3.39Å; Y548-Q550 PolarHBondContact O-N 3.16Å; Y548-T551 PolarHBondContact O-N 2.95Å; Y548-T551 PolarHBondContact O-OG1 3.17Å; Y548-H552 AromaticContact CD2-CD2 3.75Å; Y548-H552 AromaticContact CD2-NE2 4Å; Y548-H552 AromaticContact CE1-CD2 3.87Å; Y548-H552 AromaticContact CE2-CD2 3.4Å; Y548-H552 VanDerWaalsContact CE2-CD2 3.4Å; Y548-H552 WeakPolarHBondContact CE2-CD2 3.48Å; Y548-H552 AromaticContact CE2-NE2 3.39Å; Y548-H552 WeakPolarHBondContact CE2-NE2 3.27Å; Y548-H552 AromaticContact CZ-CD2 3.46Å; Y548-H552 VanDerWaalsContact CZ-CD2 3.46Å; Y548-H552 AromaticContact CZ-NE2 3.73Å; Y548-H552 PolarHBondContact O-CD2 3.38Å; Y548-H552 PolarHBondContact O-N 3.01Å
549	N	87.4	Confident	87.7	Confident	20 Å²	20	77.8 Å²	77.8	11%	0.107	38%	0.383	C	S	.	.	H	α-helix	trans	-65.4	-41.7	-179.4	-70.5	-9.5	0	0	0	111.6	E544 N546 T551 H552 Y553 P559	E544-N549 PolarHBondContact O-ND2 3.37Å; N546-N549 PolarHBondContact O-N 3.44Å; N546-N549 VanDerWaalsContact O-N 3.14Å; N546-N549 WeakPolarHBondContact OD1-CB 3.3Å; N546-N549 VanDerWaalsContact OD1-CG 3.25Å; N546-N549 PolarHBondContact OD1-N 2.97Å; N549-T551 PolarHBondContact O-N 3.22Å; N549-H552 PolarHBondContact O-N 3.44Å; N549-H552 VanDerWaalsContact O-N 3.13Å; N549-Y553 HydrophobicContact CB-CD2 4.15Å; N549-Y553 WeakPolarHBondContact O-CB 3.37Å; N549-Y553 PolarHBondContact O-N 2.97Å; N549-P559 HydrophobicContact CB-CB 3.94Å; N549-P559 HydrophobicContact CB-CG 4.06Å
550	Q	85.2	Confident	87.6	Confident	92 Å²	92	81 Å²	81	43%	0.43	40%	0.404	S	S	.	.	H	α-helix	trans	-59.3	-17.5	173.6	-69.5	177.1	20.4	0	0	113.9	W545 N546 Y548	W545-Q550 HydrophobicContact CB-CG 4.12Å; W545-Q550 HydrophobicContact CE3-CG 4.02Å; W545-Q550 PolarHBondContact O-NE2 3.11Å; N546-Q550 WeakPolarHBondContact O-CG 3.22Å; N546-Q550 PolarHBondContact O-N 3.27Å; Y548-Q550 PolarHBondContact O-N 3.16Å
551	T	84.4	Confident	87.5	Confident	100 Å²	100	83.9 Å²	83.9	61%	0.613	42%	0.416	S	S	*	.	H	α-helix	trans	-99.9	-15	178.5	56.6	0	0	0	0	114.4	K547 Y548 N549	K547-T551 WeakPolarHBondContact O-CG2 3.36Å; K547-T551 PolarHBondContact O-OG1 3.12Å; Y548-T551 PolarHBondContact O-N 2.95Å; Y548-T551 PolarHBondContact O-OG1 3.17Å; N549-T551 PolarHBondContact O-N 3.22Å
552	H	86.4	Confident	87.4	Confident	118 Å²	118	84.9 Å²	84.9	55%	0.546	42%	0.42	S	S	.	.	H	α-helix	trans	-116.1	-15.6	-175.9	-77.4	-70	0	0	0	113.6	Y548 N549	Y548-H552 AromaticContact CD2-CD2 3.75Å; Y548-H552 AromaticContact CD2-NE2 4Å; Y548-H552 AromaticContact CE1-CD2 3.87Å; Y548-H552 AromaticContact CE2-CD2 3.4Å; Y548-H552 VanDerWaalsContact CE2-CD2 3.4Å; Y548-H552 WeakPolarHBondContact CE2-CD2 3.48Å; Y548-H552 AromaticContact CE2-NE2 3.39Å; Y548-H552 WeakPolarHBondContact CE2-NE2 3.27Å; Y548-H552 AromaticContact CZ-CD2 3.46Å; Y548-H552 VanDerWaalsContact CZ-CD2 3.46Å; Y548-H552 AromaticContact CZ-NE2 3.73Å; Y548-H552 PolarHBondContact O-CD2 3.38Å; Y548-H552 PolarHBondContact O-N 3.01Å; N549-H552 PolarHBondContact O-N 3.44Å; N549-H552 VanDerWaalsContact O-N 3.13Å
553	Y	90.5	Very high	87.5	Confident	76 Å²	76	86.3 Å²	86.3	30%	0.298	43%	0.428	S	S	.	.			trans	-131.5	147.2	-176	-62.4	-82	0	0	0	109.1	W545 N549 N557 P558 P559 P560	W545-Y553 WeakPolarHBondContact CZ3-O 3.39Å; N549-Y553 HydrophobicContact CB-CD2 4.15Å; N549-Y553 WeakPolarHBondContact O-CB 3.37Å; N549-Y553 PolarHBondContact O-N 2.97Å; Y553-N557 WeakPolarHBondContact CA-O 3.02Å; Y553-N557 WeakPolarHBondContact CB-O 3.15Å; Y553-N557 WeakPolarHBondContact CD1-O 3.41Å; Y553-P558 WeakPolarHBondContact CD1-O 3.33Å; Y553-P559 VanDerWaalsContact CD1-CA 3.49Å; Y553-P559 HydrophobicContact CD1-CB 4.29Å; Y553-P559 HydrophobicContact CD2-CB 3.61Å; Y553-P559 HydrophobicContact CE2-CB 3.93Å; Y553-P559 VanDerWaalsContact CG-CA 3.48Å; Y553-P559 HydrophobicContact CG-CB 3.8Å; Y553-P560 WeakPolarHBondContact OH-CD 3.26Å
554	D	86.5	Confident	87.6	Confident	111 Å²	111	84.4 Å²	84.4	59%	0.594	42%	0.42	S	S	*	.	B	Isolated β-bridge	trans	-120.7	173.3	179.3	-69.5	-36	0	0	0	109.5	D556 N557 P558	D554-D556 PolarHBondContact O-N 3.47Å; D554-N557 PolarHBondContact N-O 3.47Å; D554-N557 VanDerWaalsContact N-O 3.15Å; D554-N557 CarbonylContact O-C 2.97Å; D554-N557 PolarHBondContact O-N 2.88Å; D554-N557 VanDerWaalsContact O-O 3.07Å; D554-P558 WeakPolarHBondContact O-CA 2.91Å; D554-P558 VanDerWaalsContact O-N 3.11Å
555	L	85.6	Confident	87.9	Confident	153 Å²	153	81.1 Å²	81.1	80%	0.801	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-32.7	178.9	-67.2	173.7	0	0	0	112.8	W545	W545-L555 HydrophobicContact CZ2-CD2 4.49Å
556	D	89.3	Confident	88.4	Confident	149 Å²	149	77.6 Å²	77.6	80%	0.797	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-23.8	177.4	-63.1	-31.6	0	0	0	113.1	D554	D554-D556 PolarHBondContact O-N 3.47Å
557	N	89.4	Confident	88.9	Confident	115 Å²	115	77 Å²	77	62%	0.615	39%	0.386	S	S	*	.	B	Isolated β-bridge	trans	-133.3	72.8	178.1	-65.9	-75.6	0	0	0	108.8	Y553 D554	Y553-N557 WeakPolarHBondContact CA-O 3.02Å; Y553-N557 WeakPolarHBondContact CB-O 3.15Å; Y553-N557 WeakPolarHBondContact CD1-O 3.41Å; D554-N557 PolarHBondContact N-O 3.47Å; D554-N557 VanDerWaalsContact N-O 3.15Å; D554-N557 CarbonylContact O-C 2.97Å; D554-N557 PolarHBondContact O-N 2.88Å; D554-N557 VanDerWaalsContact O-O 3.07Å
558	P	90.4	Very high	89.7	Confident	49 Å²	49	71 Å²	71	32%	0.318	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-68.6	159.5	-173.9	29.2	-36.1	0	0	0	111.6	F543 W545 Y553 D554	F543-P558 HydrophobicContact CD1-CB 3.86Å; F543-P558 HydrophobicContact CD1-CG 4.44Å; F543-P558 HydrophobicContact CD2-CB 4.47Å; F543-P558 HydrophobicContact CE1-CB 3.67Å; F543-P558 HydrophobicContact CE1-CG 3.74Å; F543-P558 HydrophobicContact CE2-CB 4.32Å; F543-P558 HydrophobicContact CE2-CG 4.37Å; F543-P558 HydrophobicContact CG-CB 4.24Å; F543-P558 HydrophobicContact CZ-CB 3.91Å; F543-P558 HydrophobicContact CZ-CG 3.69Å; W545-P558 HydrophobicContact CH2-CB 4.27Å; W545-P558 HydrophobicContact CZ2-CB 3.97Å; Y553-P558 WeakPolarHBondContact CD1-O 3.33Å; D554-P558 WeakPolarHBondContact O-CA 2.91Å; D554-P558 VanDerWaalsContact O-N 3.11Å
559	P	90.2	Very high	90.3	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.013	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-61.1	161.4	176.4	27.5	-35.4	0	0	0	111.2	F543 W545 N549 Y553 K561	F543-P559 HydrophobicContact CB-CG 4.27Å; F543-P559 HydrophobicContact CD1-CG 4.32Å; F543-P559 WeakPolarHBondContact CD1-O 3.45Å; F543-P559 WeakPolarHBondContact CE1-O 3.4Å; W545-P559 HydrophobicContact CD2-CG 4.41Å; W545-P559 HydrophobicContact CE3-CG 4.32Å; W545-P559 HydrophobicContact CH2-CG 4.39Å; W545-P559 HydrophobicContact CZ2-CG 4.45Å; W545-P559 HydrophobicContact CZ3-CG 4.31Å; N549-P559 HydrophobicContact CB-CB 3.94Å; N549-P559 HydrophobicContact CB-CG 4.06Å; Y553-P559 VanDerWaalsContact CD1-CA 3.49Å; Y553-P559 HydrophobicContact CD1-CB 4.29Å; Y553-P559 HydrophobicContact CD2-CB 3.61Å; Y553-P559 HydrophobicContact CE2-CB 3.93Å; Y553-P559 VanDerWaalsContact CG-CA 3.48Å; Y553-P559 HydrophobicContact CG-CB 3.8Å; P559-K561 PolarHBondContact O-N 3.11Å
560	P	91.6	Very high	90.6	Very high	86 Å²	86	63.2 Å²	63.2	56%	0.558	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-51.6	134.3	170.2	-25.9	34.2	0	0	0	111.1	Y553 I562	Y553-P560 WeakPolarHBondContact OH-CD 3.26Å; P560-I562 PolarHBondContact O-N 3.25Å
561	K	91.2	Very high	90.8	Very high	93 Å²	93	59.6 Å²	59.6	40%	0.404	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-62.2	134.8	176.5	-68.5	-167.1	-178.3	-162.8	0	109.2	D506 T541 F543 P559	D506-K561 IonicContact OD1-NZ 3.58Å; D506-K561 PolarHBondContact OD1-NZ 3.12Å; D506-K561 VanDerWaalsContact OD1-NZ 3.08Å; T541-K561 WeakPolarHBondContact OG1-CD 3.5Å; F543-K561 HydrophobicContact CD1-CG 3.79Å; F543-K561 HydrophobicContact CE1-CB 4.47Å; F543-K561 HydrophobicContact CE1-CD 4.29Å; F543-K561 HydrophobicContact CE1-CG 3.34Å; F543-K561 HydrophobicContact CZ-CD 4.27Å; F543-K561 HydrophobicContact CZ-CG 3.8Å; P559-K561 PolarHBondContact O-N 3.11Å
562	I	89.5	Confident	91	Very high	48 Å²	48	54.9 Å²	54.9	25%	0.246	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	160	172.8	64.9	140	0	0	0	110.5	T541 G542 E544 P560 Q564	T541-I562 CarbonylContact C-O 3.51Å; T541-I562 WeakPolarHBondContact CA-O 3.43Å; G542-I562 PolarHBondContact N-O 2.75Å; G542-I562 WeakPolarHBondContact O-CG1 3.47Å; G542-I562 PolarHBondContact O-N 3.22Å; E544-I562 HydrophobicContact CB-CD1 3.54Å; E544-I562 HydrophobicContact CB-CG1 3.64Å; E544-I562 HydrophobicContact CG-CD1 4.2Å; E544-I562 WeakPolarHBondContact OE2-CD1 3.36Å; P560-I562 PolarHBondContact O-N 3.25Å; I562-Q564 PolarHBondContact O-N 2.71Å
563	V	93.1	Very high	90.8	Very high	33 Å²	33	52.4 Å²	52.4	20%	0.2	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	118.7	175.5	-175.1	0	0	0	0	110.4	V539 Y566 V616 R618 F643	V539-V563 HydrophobicContact CG2-CB 4.15Å; V539-V563 HydrophobicContact CG2-CG1 3.39Å; V539-V563 HydrophobicContact CG2-CG2 3.73Å; V563-Y566 HydrophobicContact CG1-CD2 4.19Å; V563-Y566 HydrophobicContact CG1-CE1 4.21Å; V563-Y566 HydrophobicContact CG1-CE2 3.58Å; V563-V616 HydrophobicContact CB-CG2 4.33Å; V563-V616 HydrophobicContact CG2-CG2 4.42Å; V563-R618 PolarHBondContact O-NH2 3.15Å; V563-F643 HydrophobicContact CB-CE2 4.34Å; V563-F643 HydrophobicContact CG1-CD2 4.34Å; V563-F643 HydrophobicContact CG1-CE2 3.81Å; V563-F643 WeakPolarHBondContact O-CD2 3.26Å
564	Q	91.4	Very high	90.3	Very high	33 Å²	33	51.7 Å²	51.7	15%	0.154	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-19.8	174.2	-66.7	-163.6	16.3	0	0	112.8	H540 I562 Q642 F643	H540-Q564 PolarHBondContact O-N 3.45Å; I562-Q564 PolarHBondContact O-N 2.71Å; Q564-Q642 CarbonylContact O-C 3.47Å; Q564-F643 WeakPolarHBondContact O-CB 3.46Å; Q564-F643 PolarHBondContact O-N 3.06Å
565	G	94.2	Very high	90	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.8	176.6	179.4	0	0	0	0	0	112.9	H540 F641	H540-G565 PolarHBondContact N-O 3.02Å; H540-G565 PolarHBondContact O-N 3.25Å; G565-F641 CarbonylContact C-O 3.57Å; G565-F641 VanDerWaalsContact CA-O 3.26Å; G565-F641 WeakPolarHBondContact CA-O 3.42Å
566	Y	95.8	Very high	89.5	Confident	13 Å²	13	46.6 Å²	46.6	5%	0.051	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	149.5	179.3	-65.7	-89.1	0	0	0	111	V539 V563 F568 I615 V616 W640 F641 F643	V539-Y566 HydrophobicContact CB-CD1 4.13Å; V539-Y566 HydrophobicContact CB-CE1 4.12Å; V539-Y566 HydrophobicContact CG2-CD1 3.99Å; V539-Y566 HydrophobicContact CG2-CE1 3.68Å; V563-Y566 HydrophobicContact CG1-CD2 4.19Å; V563-Y566 HydrophobicContact CG1-CE1 4.21Å; V563-Y566 HydrophobicContact CG1-CE2 3.58Å; Y566-F568 HydrophobicContact CD1-CE2 4.33Å; Y566-F568 HydrophobicContact CD1-CZ 4.04Å; Y566-F568 AromaticContact CG-CE2 3.94Å; Y566-F568 HydrophobicContact CG-CE2 3.94Å; Y566-F568 HydrophobicContact CG-CZ 4.09Å; Y566-I615 HydrophobicContact CD1-CG2 4.09Å; Y566-I615 HydrophobicContact CD2-CB 4.3Å; Y566-I615 HydrophobicContact CD2-CG2 4.15Å; Y566-I615 HydrophobicContact CE1-CB 4.4Å; Y566-I615 HydrophobicContact CE1-CG2 3.8Å; Y566-I615 HydrophobicContact CE2-CB 3.71Å; Y566-I615 HydrophobicContact CE2-CG2 3.87Å; Y566-I615 HydrophobicContact CG-CG2 4.26Å; Y566-V616 PolarHBondContact OH-N 2.9Å; Y566-W640 WeakPolarHBondContact O-CA 3.42Å; Y566-F641 AromaticContact CD2-CE2 3.72Å; Y566-F641 HydrophobicContact CD2-CE2 3.72Å; Y566-F641 AromaticContact CD2-CZ 3.76Å; Y566-F641 HydrophobicContact CD2-CZ 3.76Å; Y566-F641 HydrophobicContact CG-CE2 4.41Å; Y566-F641 HydrophobicContact CG-CZ 4.17Å; Y566-F641 PolarHBondContact N-O 3.37Å; Y566-F641 PolarHBondContact O-N 2.92Å; Y566-F641 VanDerWaalsContact O-O 3.11Å; Y566-F643 HydrophobicContact CD2-CE2 4.04Å; Y566-F643 AromaticContact CD2-CZ 3.9Å; Y566-F643 HydrophobicContact CD2-CZ 3.9Å; Y566-F643 AromaticContact CE2-CE2 3.6Å; Y566-F643 HydrophobicContact CE2-CE2 3.6Å; Y566-F643 AromaticContact CE2-CZ 3.53Å; Y566-F643 HydrophobicContact CE2-CZ 3.53Å
567	K	94.3	Very high	88.8	Confident	51 Å²	51	43.4 Å²	43.4	22%	0.222	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	101.8	170.1	-64.6	-179.2	174.1	174	0	108.5	E507 N537 R538 W640	E507-K567 WeakPolarHBondContact OE1-CE 3.27Å; E507-K567 IonicContact OE1-NZ 2.9Å; E507-K567 PolarHBondContact OE1-NZ 2.91Å; E507-K567 IonicContact OE2-NZ 3.65Å; E507-K567 PolarHBondContact OE2-NZ 3.42Å; N537-K567 CarbonylContact C-O 3.58Å; N537-K567 WeakPolarHBondContact CA-O 3.41Å; R538-K567 HydrophobicContact CB-CB 4.24Å; R538-K567 PolarHBondContact N-O 2.95Å; R538-K567 PolarHBondContact O-N 3.16Å; K567-W640 HydrophobicContact CB-CG 4.06Å; K567-W640 HydrophobicContact CD-CD2 4.41Å; K567-W640 HydrophobicContact CD-CG 4.41Å; K567-W640 HydrophobicContact CG-CB 4.04Å; K567-W640 HydrophobicContact CG-CD2 4.34Å; K567-W640 HydrophobicContact CG-CG 3.84Å
568	F	95.5	Very high	88	Confident	1 Å²	1	43.8 Å²	43.8	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	131.9	173.6	-63.4	-85	0	0	0	109.7	N537 Y566 I597 F599 F613 I615 Q638 L639 F641	N537-F568 HydrophobicContact CB-CD1 3.99Å; N537-F568 HydrophobicContact CB-CE1 4.29Å; N537-F568 WeakPolarHBondContact OD1-CA 3.26Å; N537-F568 WeakPolarHBondContact OD1-CD1 3.48Å; Y566-F568 HydrophobicContact CD1-CE2 4.33Å; Y566-F568 HydrophobicContact CD1-CZ 4.04Å; Y566-F568 AromaticContact CG-CE2 3.94Å; Y566-F568 HydrophobicContact CG-CE2 3.94Å; Y566-F568 HydrophobicContact CG-CZ 4.09Å; F568-I597 HydrophobicContact CE1-CG2 4.12Å; F568-I597 HydrophobicContact CE2-CD1 4.27Å; F568-I597 HydrophobicContact CE2-CG2 4.17Å; F568-I597 HydrophobicContact CZ-CG2 3.7Å; F568-F599 HydrophobicContact CB-CE1 4.16Å; F568-F599 HydrophobicContact CB-CE2 4.27Å; F568-F599 HydrophobicContact CB-CZ 3.56Å; F568-F599 AromaticContact CD1-CE2 3.57Å; F568-F599 HydrophobicContact CD1-CE2 3.57Å; F568-F599 AromaticContact CD1-CZ 3.62Å; F568-F599 HydrophobicContact CD1-CZ 3.62Å; F568-F599 HydrophobicContact CD2-CE2 4.48Å; F568-F599 AromaticContact CD2-CZ 3.83Å; F568-F599 HydrophobicContact CD2-CZ 3.83Å; F568-F599 HydrophobicContact CE1-CE2 4.03Å; F568-F599 HydrophobicContact CE1-CZ 4.31Å; F568-F599 HydrophobicContact CE2-CZ 4.45Å; F568-F599 HydrophobicContact CG-CE1 4.4Å; F568-F599 AromaticContact CG-CE2 3.86Å; F568-F599 HydrophobicContact CG-CE2 3.86Å; F568-F599 AromaticContact CG-CZ 3.38Å; F568-F599 HydrophobicContact CG-CZ 3.38Å; F568-F613 HydrophobicContact CD1-CD2 4.1Å; F568-F613 HydrophobicContact CD1-CE2 4.44Å; F568-F613 HydrophobicContact CE1-CB 4.02Å; F568-F613 AromaticContact CE1-CD2 3.76Å; F568-F613 HydrophobicContact CE1-CD2 3.76Å; F568-F613 HydrophobicContact CE1-CE2 4.48Å; F568-F613 AromaticContact CE1-CG 3.92Å; F568-F613 HydrophobicContact CE1-CG 3.92Å; F568-F613 HydrophobicContact CZ-CB 4.5Å; F568-I615 HydrophobicContact CE2-CG2 4.38Å; F568-I615 HydrophobicContact CZ-CG2 3.68Å; F568-Q638 WeakPolarHBondContact O-CA 3.43Å; F568-L639 HydrophobicContact CB-CB 4.2Å; F568-L639 HydrophobicContact CD2-CD2 4.33Å; F568-L639 PolarHBondContact N-O 3.3Å; F568-L639 PolarHBondContact O-N 3.05Å; F568-F641 HydrophobicContact CD2-CE1 4.1Å; F568-F641 AromaticContact CE2-CE1 3.86Å; F568-F641 HydrophobicContact CE2-CE1 3.86Å; F568-F641 HydrophobicContact CE2-CZ 4.09Å
569	N	93.6	Very high	87.7	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	110.2	167.2	-52	-69.4	0	0	0	106.3	F495 A499 Y535 F536 N537 I636 F637 W640	F495-N569 HydrophobicContact CE2-CB 3.93Å; F495-N569 HydrophobicContact CZ-CB 4.17Å; F495-N569 WeakPolarHBondContact CZ-O 3.44Å; A499-N569 HydrophobicContact CB-CB 4.31Å; Y535-N569 CarbonylContact C-O 3.56Å; Y535-N569 WeakPolarHBondContact CA-O 2.89Å; Y535-N569 WeakPolarHBondContact CB-O 3.26Å; F536-N569 PolarHBondContact N-O 3.04Å; F536-N569 WeakPolarHBondContact O-CB 3.37Å; F536-N569 PolarHBondContact O-ND2 3.47Å; N537-N569 PolarHBondContact OD1-N 3.37Å; N569-I636 HydrophobicContact CB-CG2 4.31Å; N569-F637 WeakPolarHBondContact CA-O 3.47Å; N569-W640 PolarHBondContact OD1-NE1 3.01Å
570	V	93.7	Very high	87.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.5	-178.9	-170.3	0	0	0	0	108.2	P533 R534 Y572 F599 V611 I636 F637	P533-V570 HydrophobicContact CB-CG1 3.88Å; P533-V570 HydrophobicContact CG-CG1 4.25Å; R534-V570 CarbonylContact O-C 3.43Å; V570-Y572 HydrophobicContact CB-CD2 4.47Å; V570-Y572 HydrophobicContact CB-CE2 3.81Å; V570-Y572 HydrophobicContact CG1-CD2 4.11Å; V570-Y572 HydrophobicContact CG1-CE1 4.47Å; V570-Y572 HydrophobicContact CG1-CE2 3.35Å; V570-F599 HydrophobicContact CG2-CD1 4.13Å; V570-F599 HydrophobicContact CG2-CD2 4.21Å; V570-F599 HydrophobicContact CG2-CE1 4.38Å; V570-F599 HydrophobicContact CG2-CE2 4.46Å; V570-F599 HydrophobicContact CG2-CG 4.04Å; V570-V611 HydrophobicContact CG1-CG2 4.03Å; V570-I636 CarbonylContact O-C 3.58Å; V570-F637 HydrophobicContact CB-CB 4.44Å; V570-F637 PolarHBondContact N-O 3.45Å; V570-F637 PolarHBondContact O-N 3.44Å
571	F	90.5	Very high	87.6	Confident	15 Å²	15	44.7 Å²	44.7	7%	0.066	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	119.8	-172.5	-174.7	-128.1	0	0	0	111	F495 P533 R534 P573 I636	F495-F571 HydrophobicContact CB-CD1 4.39Å; F495-F571 HydrophobicContact CB-CD2 4.31Å; F495-F571 HydrophobicContact CB-CE2 4.46Å; F495-F571 HydrophobicContact CB-CG 4.27Å; F495-F571 HydrophobicContact CD1-CB 4.02Å; F495-F571 HydrophobicContact CD1-CD1 4.41Å; F495-F571 HydrophobicContact CD1-CG 4.25Å; F495-F571 HydrophobicContact CD2-CB 3.84Å; F495-F571 HydrophobicContact CD2-CD2 4.1Å; F495-F571 HydrophobicContact CD2-CG 4.05Å; F495-F571 HydrophobicContact CE1-CB 3.96Å; F495-F571 HydrophobicContact CE2-CB 3.78Å; F495-F571 HydrophobicContact CE2-CG 4.49Å; F495-F571 HydrophobicContact CG-CB 3.95Å; F495-F571 HydrophobicContact CG-CD1 4.3Å; F495-F571 HydrophobicContact CG-CD2 4.21Å; F495-F571 AromaticContact CG-CG 3.91Å; F495-F571 HydrophobicContact CG-CG 3.91Å; F495-F571 HydrophobicContact CZ-CB 3.83Å; P533-F571 WeakPolarHBondContact CB-O 3.27Å; R534-F571 HydrophobicContact CB-CB 4.28Å; R534-F571 HydrophobicContact CB-CD1 4.43Å; R534-F571 PolarHBondContact N-O 3.3Å; R534-F571 PolarHBondContact O-N 3.16Å; F571-P573 HydrophobicContact CD1-CG 4.14Å; F571-P573 HydrophobicContact CE1-CB 3.83Å; F571-P573 HydrophobicContact CE1-CG 3.75Å; F571-P573 HydrophobicContact CE2-CB 4.3Å; F571-P573 HydrophobicContact CZ-CB 3.68Å; F571-P573 HydrophobicContact CZ-CG 4.13Å; F571-I636 HydrophobicContact CD2-CG1 3.7Å; F571-I636 HydrophobicContact CE2-CG1 4.23Å
572	Y	88.9	Confident	87.7	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.008	25%	0.253	C	S	.	.			trans	-123	76	179.8	-63.7	-82.5	0	0	0	109.1	P533 V570 D574 P581 A601 Y605 F632 G635 F637	P533-Y572 HydrophobicContact CB-CD1 3.66Å; P533-Y572 HydrophobicContact CB-CE1 3.32Å; P533-Y572 HydrophobicContact CB-CE2 4.49Å; P533-Y572 HydrophobicContact CB-CG 4.37Å; P533-Y572 HydrophobicContact CG-CD1 4.4Å; P533-Y572 HydrophobicContact CG-CE1 3.61Å; V570-Y572 HydrophobicContact CB-CD2 4.47Å; V570-Y572 HydrophobicContact CB-CE2 3.81Å; V570-Y572 HydrophobicContact CG1-CD2 4.11Å; V570-Y572 HydrophobicContact CG1-CE1 4.47Å; V570-Y572 HydrophobicContact CG1-CE2 3.35Å; Y572-D574 VanDerWaalsContact C-N 3.31Å; Y572-D574 PolarHBondContact O-N 2.86Å; Y572-P581 HydrophobicContact CD2-CB 4.19Å; Y572-P581 HydrophobicContact CD2-CG 3.57Å; Y572-P581 HydrophobicContact CE2-CB 3.76Å; Y572-P581 HydrophobicContact CE2-CG 3.68Å; Y572-P581 HydrophobicContact CG-CG 4.17Å; Y572-A601 HydrophobicContact CD1-CB 3.63Å; Y572-A601 HydrophobicContact CE1-CB 3.29Å; Y572-A601 HydrophobicContact CE2-CB 4.44Å; Y572-A601 HydrophobicContact CG-CB 4.35Å; Y572-Y605 AromaticContact CD1-CD1 3.64Å; Y572-Y605 HydrophobicContact CD1-CD1 3.64Å; Y572-Y605 AromaticContact CD1-CD2 3.7Å; Y572-Y605 HydrophobicContact CD1-CD2 3.7Å; Y572-Y605 AromaticContact CD1-CE1 3.69Å; Y572-Y605 HydrophobicContact CD1-CE1 3.69Å; Y572-Y605 AromaticContact CD1-CE2 3.77Å; Y572-Y605 HydrophobicContact CD1-CE2 3.77Å; Y572-Y605 AromaticContact CD1-CG 3.66Å; Y572-Y605 HydrophobicContact CD1-CG 3.66Å; Y572-Y605 AromaticContact CD1-CZ 3.78Å; Y572-Y605 AromaticContact CE1-CD1 3.88Å; Y572-Y605 HydrophobicContact CE1-CD1 3.88Å; Y572-Y605 HydrophobicContact CE1-CD2 4.41Å; Y572-Y605 HydrophobicContact CE1-CE1 4.29Å; Y572-Y605 AromaticContact CE1-CG 3.97Å; Y572-Y605 HydrophobicContact CE1-CG 3.97Å; Y572-Y605 HydrophobicContact CG-CE2 4.43Å; Y572-F632 HydrophobicContact CD2-CE2 4.47Å; Y572-G635 CarbonylContact C-O 3.53Å; Y572-G635 PolarHBondContact N-O 2.81Å; Y572-G635 WeakPolarHBondContact O-CA 3.39Å; Y572-F637 HydrophobicContact CD2-CB 4.3Å; Y572-F637 HydrophobicContact CE2-CB 4.19Å
573	P	81.2	Confident	87.8	Confident	66 Å²	66	46.3 Å²	46.3	43%	0.429	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-35.9	-177.9	22	-33	0	0	0	113.4	F571 Y605	F571-P573 HydrophobicContact CD1-CG 4.14Å; F571-P573 HydrophobicContact CE1-CB 3.83Å; F571-P573 HydrophobicContact CE1-CG 3.75Å; F571-P573 HydrophobicContact CE2-CB 4.3Å; F571-P573 HydrophobicContact CZ-CB 3.68Å; F571-P573 HydrophobicContact CZ-CG 4.13Å; P573-Y605 VanDerWaalsContact CD-OH 3.25Å; P573-Y605 WeakPolarHBondContact CD-OH 3.41Å
574	D	79.8	Confident	87.8	Confident	61 Å²	61	47.6 Å²	47.6	33%	0.326	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	21.7	-167.7	-52.5	-44.1	0	0	0	114	R531 Y572 L576 P604 Y605	R531-D574 VanDerWaalsContact CD-OD2 3.28Å; R531-D574 WeakPolarHBondContact CD-OD2 2.9Å; R531-D574 IonicContact CZ-OD2 2.6Å; R531-D574 IonicContact NE-OD2 3.38Å; R531-D574 IonicContact NH1-OD2 3.79Å; R531-D574 PolarHBondContact NH1-OD2 3.18Å; Y572-D574 VanDerWaalsContact C-N 3.31Å; Y572-D574 PolarHBondContact O-N 2.86Å; D574-L576 PolarHBondContact O-N 2.71Å; D574-L576 VanDerWaalsContact O-N 3.11Å; D574-P604 HydrophobicContact CB-CG 4.15Å; D574-P604 WeakPolarHBondContact O-CD 3.37Å; D574-P604 WeakPolarHBondContact O-CG 3.42Å; D574-Y605 PolarHBondContact N-OH 3.19Å
575	L	80.7	Confident	87.9	Confident	30 Å²	30	50 Å²	50	16%	0.157	27%	0.273	C	S	.	.			trans	-62.9	116.1	-177	-169.5	68.9	0	0	0	110.3	D577 T579 P581 A601 G602 Y605 F632	L575-D577 VanDerWaalsContact CD2-O 3.29Å; L575-D577 WeakPolarHBondContact CD2-O 3.5Å; L575-D577 VanDerWaalsContact CG-O 3.27Å; L575-D577 WeakPolarHBondContact CG-O 3.41Å; L575-T579 WeakPolarHBondContact CD2-O 3.28Å; L575-P581 HydrophobicContact CD2-CG 4.38Å; L575-A601 HydrophobicContact CD1-CB 4.03Å; L575-G602 WeakPolarHBondContact CD1-O 3.47Å; L575-Y605 HydrophobicContact CD1-CD2 4.05Å; L575-F632 HydrophobicContact CD2-CE1 3.68Å; L575-F632 HydrophobicContact CD2-CZ 3.61Å
576	L	75.1	Confident	87.8	Confident	126 Å²	126	53.4 Å²	53.4	66%	0.66	29%	0.29	S	S	*	.	S	Bend	trans	-71.7	-41.8	-175.5	-74.4	154.7	0	0	0	111.4	D574 P603 P604	D574-L576 PolarHBondContact O-N 2.71Å; D574-L576 VanDerWaalsContact O-N 3.11Å; L576-P603 WeakPolarHBondContact CB-O 3.36Å; L576-P603 HydrophobicContact CD1-CB 4.03Å; L576-P603 PolarHBondContact N-O 2.82Å; L576-P604 HydrophobicContact CD1-CB 4.17Å; L576-P604 HydrophobicContact CD1-CG 4.42Å
577	D	75.6	Confident	87.6	Confident	82 Å²	82	57 Å²	57	44%	0.439	32%	0.316	S	S	.	.	S	Bend	trans	-93.5	140	-179.8	-71.4	-27.6	0	0	0	112	L575 T579	L575-D577 VanDerWaalsContact CD2-O 3.29Å; L575-D577 WeakPolarHBondContact CD2-O 3.5Å; L575-D577 VanDerWaalsContact CG-O 3.27Å; L575-D577 WeakPolarHBondContact CG-O 3.41Å; D577-T579 PolarHBondContact O-N 3.49Å
578	P	72.7	Confident	87.2	Confident	123 Å²	123	55.2 Å²	55.2	80%	0.799	31%	0.309	S	S	*	.			trans	-72.1	6.4	179.6	31.1	-36.3	0	0	0	113.9
579	T	84.2	Confident	86.5	Confident	82 Å²	82	63.6 Å²	63.6	50%	0.503	35%	0.345	S	S	.	.	S	Bend	trans	-72.9	124.7	179.9	-58.8	0	0	0	0	110	L575 D577	L575-T579 WeakPolarHBondContact CD2-O 3.28Å; D577-T579 PolarHBondContact O-N 3.49Å
580	P	86.5	Confident	86	Confident	68 Å²	68	69.9 Å²	69.9	44%	0.442	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-62.8	139.9	-178.3	25.6	-34.4	0	0	0	111.4	F632	P580-F632 HydrophobicContact CB-CB 3.76Å; P580-F632 HydrophobicContact CB-CD1 4.3Å; P580-F632 HydrophobicContact CB-CG 4.29Å
581	P	92.2	Very high	85.6	Confident	6 Å²	6	73.1 Å²	73.1	4%	0.039	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-52.9	150.4	170.8	-25.7	34.4	0	0	0	111.7	Y572 L575 H600 A601 F632 F637	Y572-P581 HydrophobicContact CD2-CB 4.19Å; Y572-P581 HydrophobicContact CD2-CG 3.57Å; Y572-P581 HydrophobicContact CE2-CB 3.76Å; Y572-P581 HydrophobicContact CE2-CG 3.68Å; Y572-P581 HydrophobicContact CG-CG 4.17Å; L575-P581 HydrophobicContact CD2-CG 4.38Å; P581-H600 WeakPolarHBondContact CA-O 3.42Å; P581-A601 HydrophobicContact CB-CB 4.15Å; P581-A601 HydrophobicContact CG-CB 4.15Å; P581-F632 VanDerWaalsContact CD-CD2 3.45Å; P581-F632 HydrophobicContact CG-CD2 3.94Å; P581-F632 HydrophobicContact CG-CE2 3.85Å; P581-F632 HydrophobicContact CG-CG 4.5Å; P581-F632 HydrophobicContact CG-CZ 4.34Å; P581-F637 HydrophobicContact CB-CB 4.27Å; P581-F637 HydrophobicContact CB-CD2 4.11Å; P581-F637 HydrophobicContact CB-CG 4.07Å; P581-F637 HydrophobicContact CG-CB 4.25Å; P581-F637 HydrophobicContact CG-CD2 4.47Å; P581-F637 HydrophobicContact CG-CG 4.48Å; P581-F637 WeakPolarHBondContact O-CE2 3.24Å; P581-F637 WeakPolarHBondContact O-CZ 3.31Å
582	K	92.4	Very high	85.4	Confident	124 Å²	124	76.8 Å²	76.8	54%	0.539	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	163.8	-177.5	-70.8	176.2	-174.5	173.5	0	109.6	F599 H600	K582-F599 WeakPolarHBondContact O-CA 3.49Å; K582-H600 WeakPolarHBondContact CB-CE1 3.49Å; K582-H600 VanDerWaalsContact CB-NE2 3.29Å; K582-H600 WeakPolarHBondContact CB-NE2 3.49Å; K582-H600 PolarHBondContact N-O 2.92Å; K582-H600 PolarHBondContact O-CD2 3.47Å; K582-H600 PolarHBondContact O-N 3.38Å; K582-H600 VanDerWaalsContact O-O 3.14Å
583	F	93.6	Very high	85.4	Confident	52 Å²	52	82.1 Å²	82.1	23%	0.228	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.1	174.6	68.1	-86.5	0	0	0	110.5	I585 I597 K598 F599 W620 F637 L639	F583-I585 HydrophobicContact CD2-CG1 4.42Å; F583-I585 HydrophobicContact CE2-CD1 4.44Å; F583-I585 HydrophobicContact CE2-CG1 4.49Å; F583-I597 HydrophobicContact CB-CD1 4.48Å; F583-I597 HydrophobicContact CB-CG1 4.26Å; F583-I597 HydrophobicContact CD2-CD1 3.84Å; F583-I597 HydrophobicContact CD2-CG1 4.1Å; F583-I597 HydrophobicContact CE2-CD1 4.46Å; F583-I597 HydrophobicContact CG-CD1 4.33Å; F583-K598 CarbonylContact C-O 3.4Å; F583-K598 WeakPolarHBondContact CA-O 3.46Å; F583-F599 HydrophobicContact CB-CD1 3.8Å; F583-F599 HydrophobicContact CB-CE1 3.92Å; F583-F599 HydrophobicContact CB-CG 4.46Å; F583-W620 HydrophobicContact CE2-CZ2 4.26Å; F583-F637 HydrophobicContact CD1-CE1 4.09Å; F583-F637 AromaticContact CD1-CZ 3.95Å; F583-F637 HydrophobicContact CD1-CZ 3.95Å; F583-L639 HydrophobicContact CD1-CD1 4.43Å; F583-L639 HydrophobicContact CD1-CD2 3.77Å; F583-L639 HydrophobicContact CD2-CD2 4.02Å; F583-L639 HydrophobicContact CE1-CD1 3.8Å; F583-L639 HydrophobicContact CE1-CD2 3.87Å; F583-L639 HydrophobicContact CE1-CG 4.43Å; F583-L639 HydrophobicContact CE2-CD2 4.11Å; F583-L639 HydrophobicContact CG-CD2 3.85Å; F583-L639 HydrophobicContact CZ-CD1 4.01Å; F583-L639 HydrophobicContact CZ-CD2 4.04Å
584	T	93.1	Very high	85.9	Confident	59 Å²	59	82.2 Å²	82.2	36%	0.362	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	151.9	174.7	54.5	0	0	0	0	109.5	I597 K598	T584-I597 CarbonylContact O-C 3.55Å; T584-I597 WeakPolarHBondContact O-CA 3.42Å; T584-K598 PolarHBondContact N-O 2.86Å; T584-K598 PolarHBondContact O-N 3.41Å
585	I	93.1	Very high	86.5	Confident	84 Å²	84	79.6 Å²	79.6	43%	0.431	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	115.7	-180	-54.5	160.9	0	0	0	107.2	F583 C595 I596 W620	F583-I585 HydrophobicContact CD2-CG1 4.42Å; F583-I585 HydrophobicContact CE2-CD1 4.44Å; F583-I585 HydrophobicContact CE2-CG1 4.49Å; I585-C595 HydrophobicContact CG2-CB 3.82Å; I585-I596 CarbonylContact C-O 3.59Å; I585-I596 WeakPolarHBondContact CA-O 3.46Å; I585-W620 HydrophobicContact CD1-CH2 3.25Å; I585-W620 HydrophobicContact CD1-CZ2 3.71Å; I585-W620 HydrophobicContact CD1-CZ3 4.22Å; I585-W620 HydrophobicContact CG1-CH2 4.02Å
586	I	92	Very high	87.1	Confident	73 Å²	73	79.1 Å²	79.1	37%	0.374	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.4	-176.9	-56.3	168.6	0	0	0	108	C595 I596 K598	I586-C595 CarbonylContact O-C 3.49Å; I586-C595 WeakPolarHBondContact O-CA 3.46Å; I586-C595 WeakPolarHBondContact O-CB 3.26Å; I586-I596 HydrophobicContact CB-CB 4.3Å; I586-I596 PolarHBondContact N-O 2.86Å; I586-I596 PolarHBondContact O-N 2.96Å; I586-K598 HydrophobicContact CD1-CB 4.27Å; I586-K598 HydrophobicContact CD1-CD 4.24Å
587	P	90.4	Very high	88	Confident	89 Å²	89	73.1 Å²	73.1	58%	0.578	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	134.8	173.8	27.2	-32.9	0	0	0	110.9
588	C	85.8	Confident	88.9	Confident	12 Å²	12	70.8 Å²	70.8	8%	0.081	38%	0.384	C	S	.	.			trans	-74	130.9	173.9	-164.3	0	0	0	0	108.9	F594	C588-F594 HydrophobicContact CB-CB 4.39Å; C588-F594 WeakPolarHBondContact CB-O 3.46Å; C588-F594 PolarHBondContact N-O 3.41Å
589	K	82.4	Confident	90	Very high	178 Å²	178	64.9 Å²	64.9	77%	0.774	35%	0.346	S	S	*	.	S	Bend	trans	-71.6	-37.1	179.5	-68	175.4	-175.2	163.2	0	111.9	E517	E517-K589 IonicContact OE1-NZ 3.83Å
590	D	81.4	Confident	90.3	Very high	136 Å²	136	63.8 Å²	63.8	73%	0.727	34%	0.335	S	S	*	.	S	Bend	trans	-73.9	-42.5	-174.8	-52.8	-36.5	0	0	0	112.8
591	D	86.6	Confident	90.4	Very high	67 Å²	67	61.4 Å²	61.4	36%	0.358	32%	0.321	S	S	.	.			trans	-128	121.3	-174.5	-65.1	-40.8	0	0	0	111.6	D593 F594 K614	D591-D593 PolarHBondContact O-N 3.19Å; D591-F594 HydrophobicContact CB-CB 4.45Å; D591-F594 HydrophobicContact CB-CD2 3.77Å; D591-F594 PolarHBondContact O-N 3.1Å; D591-K614 IonicContact OD2-NZ 3.86Å; D591-K614 PolarHBondContact OD2-NZ 3.47Å
592	S	86.6	Confident	89.9	Confident	93 Å²	93	62.3 Å²	62.3	65%	0.65	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-23.2	176.9	56.7	0	0	0	0	114.1	F594 K617	S592-F594 VanDerWaalsContact C-N 3.32Å; S592-K617 VanDerWaalsContact O-CD 3.29Å; S592-K617 WeakPolarHBondContact O-CD 3.42Å
593	D	87.2	Confident	89.4	Confident	113 Å²	113	59.9 Å²	59.9	60%	0.604	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-9	-174.9	-67.6	-8.7	0	0	0	112.9	D591 K617	D591-D593 PolarHBondContact O-N 3.19Å; D593-K617 WeakPolarHBondContact O-CB 3.49Å; D593-K617 PolarHBondContact O-N 2.86Å
594	F	92.6	Very high	88.5	Confident	69 Å²	69	59.3 Å²	59.3	30%	0.303	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	153.1	-179.4	-64.4	-89.3	0	0	0	111.5	C588 D591 S592 K614 I615 V616	C588-F594 HydrophobicContact CB-CB 4.39Å; C588-F594 WeakPolarHBondContact CB-O 3.46Å; C588-F594 PolarHBondContact N-O 3.41Å; D591-F594 HydrophobicContact CB-CB 4.45Å; D591-F594 HydrophobicContact CB-CD2 3.77Å; D591-F594 PolarHBondContact O-N 3.1Å; S592-F594 VanDerWaalsContact C-N 3.32Å; F594-K614 HydrophobicContact CB-CD 4.27Å; F594-K614 VanDerWaalsContact CB-CE 3.4Å; F594-K614 HydrophobicContact CB-CG 3.88Å; F594-K614 HydrophobicContact CD1-CD 4.48Å; F594-K614 HydrophobicContact CD1-CG 4.05Å; F594-K614 HydrophobicContact CG-CD 4.35Å; F594-K614 HydrophobicContact CG-CG 4.17Å; F594-I615 CarbonylContact C-O 3.58Å; F594-I615 VanDerWaalsContact CA-O 3.3Å; F594-I615 WeakPolarHBondContact CA-O 3.46Å; F594-V616 HydrophobicContact CD1-CG2 4.32Å; F594-V616 HydrophobicContact CE1-CG2 3.91Å
595	C	92.8	Very high	88	Confident	5 Å²	5	56.9 Å²	56.9	3%	0.034	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	156.9	170.6	62.5	0	0	0	0	108.8	I585 I586 I615 K617	I585-C595 HydrophobicContact CG2-CB 3.82Å; I586-C595 CarbonylContact O-C 3.49Å; I586-C595 WeakPolarHBondContact O-CA 3.46Å; I586-C595 WeakPolarHBondContact O-CB 3.26Å; C595-I615 PolarHBondContact N-O 2.66Å; C595-I615 WeakPolarHBondContact O-CG1 3.44Å; C595-I615 PolarHBondContact O-N 2.84Å; C595-K617 HydrophobicContact CB-CB 4.05Å; C595-K617 HydrophobicContact CB-CG 4.13Å
596	I	93.2	Very high	87.3	Confident	20 Å²	20	54.3 Å²	54.3	10%	0.103	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.1	-177.4	-57.9	165.1	0	0	0	106.6	H514 I585 I586 A612 F613	H514-I596 HydrophobicContact CB-CG2 4.2Å; H514-I596 VanDerWaalsContact NE2-CD1 3.29Å; H514-I596 WeakPolarHBondContact NE2-CD1 3.48Å; I585-I596 CarbonylContact C-O 3.59Å; I585-I596 WeakPolarHBondContact CA-O 3.46Å; I586-I596 HydrophobicContact CB-CB 4.3Å; I586-I596 PolarHBondContact N-O 2.86Å; I586-I596 PolarHBondContact O-N 2.96Å; I596-A612 HydrophobicContact CG2-CB 3.74Å; I596-F613 CarbonylContact C-O 3.59Å; I596-F613 WeakPolarHBondContact CA-O 3.11Å
597	I	94.7	Very high	86.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	116.2	170.2	-171	167.6	0	0	0	108.6	F568 F583 T584 F599 A612 F613 I615 L639	F568-I597 HydrophobicContact CE1-CG2 4.12Å; F568-I597 HydrophobicContact CE2-CD1 4.27Å; F568-I597 HydrophobicContact CE2-CG2 4.17Å; F568-I597 HydrophobicContact CZ-CG2 3.7Å; F583-I597 HydrophobicContact CB-CD1 4.48Å; F583-I597 HydrophobicContact CB-CG1 4.26Å; F583-I597 HydrophobicContact CD2-CD1 3.84Å; F583-I597 HydrophobicContact CD2-CG1 4.1Å; F583-I597 HydrophobicContact CE2-CD1 4.46Å; F583-I597 HydrophobicContact CG-CD1 4.33Å; T584-I597 CarbonylContact O-C 3.55Å; T584-I597 WeakPolarHBondContact O-CA 3.42Å; I597-F599 HydrophobicContact CD1-CE1 4.49Å; I597-F599 HydrophobicContact CD1-CE2 4.34Å; I597-F599 HydrophobicContact CD1-CZ 3.86Å; I597-F599 HydrophobicContact CG1-CE2 4.11Å; I597-F599 HydrophobicContact CG1-CZ 4.07Å; I597-F599 HydrophobicContact CG2-CE2 4.08Å; I597-A612 CarbonylContact O-C 3.55Å; I597-A612 VanDerWaalsContact O-CA 3.24Å; I597-A612 WeakPolarHBondContact O-CA 3.33Å; I597-F613 HydrophobicContact CG2-CB 3.94Å; I597-F613 PolarHBondContact N-O 2.84Å; I597-F613 PolarHBondContact O-N 3.34Å; I597-I615 HydrophobicContact CB-CD1 3.88Å; I597-I615 HydrophobicContact CB-CG1 4.25Å; I597-I615 HydrophobicContact CD1-CD1 4.41Å; I597-I615 HydrophobicContact CG2-CD1 3.94Å; I597-I615 HydrophobicContact CG2-CG1 4.1Å; I597-I615 HydrophobicContact CG2-CG2 3.8Å; I597-L639 HydrophobicContact CD1-CD2 3.49Å; I597-L639 VanDerWaalsContact CD1-CD2 3.49Å
598	K	93.9	Very high	85.6	Confident	33 Å²	33	51.8 Å²	51.8	14%	0.143	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.7	-179.1	-179	-178.4	-179.3	-164.3	0	109.1	V516 F583 T584 I586 D610 A612	V516-K598 HydrophobicContact CG1-CD 4.16Å; V516-K598 HydrophobicContact CG2-CD 4.43Å; F583-K598 CarbonylContact C-O 3.4Å; F583-K598 WeakPolarHBondContact CA-O 3.46Å; T584-K598 PolarHBondContact N-O 2.86Å; T584-K598 PolarHBondContact O-N 3.41Å; I586-K598 HydrophobicContact CD1-CB 4.27Å; I586-K598 HydrophobicContact CD1-CD 4.24Å; K598-D610 HydrophobicContact CD-CB 4.42Å; K598-D610 VanDerWaalsContact CE-CG 3.49Å; K598-D610 WeakPolarHBondContact CE-OD2 3.34Å; K598-D610 HydrophobicContact CG-CB 4.22Å; K598-D610 IonicContact NZ-OD2 3.06Å; K598-D610 PolarHBondContact NZ-OD2 2.83Å; K598-A612 HydrophobicContact CB-CB 4.08Å; K598-A612 HydrophobicContact CG-CB 4.25Å
599	F	94.5	Very high	85.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131.2	174.6	-63	-89.1	0	0	0	109.2	F568 V570 K582 F583 I597 D610 V611 F613 F637 L639	F568-F599 HydrophobicContact CB-CE1 4.16Å; F568-F599 HydrophobicContact CB-CE2 4.27Å; F568-F599 HydrophobicContact CB-CZ 3.56Å; F568-F599 AromaticContact CD1-CE2 3.57Å; F568-F599 HydrophobicContact CD1-CE2 3.57Å; F568-F599 AromaticContact CD1-CZ 3.62Å; F568-F599 HydrophobicContact CD1-CZ 3.62Å; F568-F599 HydrophobicContact CD2-CE2 4.48Å; F568-F599 AromaticContact CD2-CZ 3.83Å; F568-F599 HydrophobicContact CD2-CZ 3.83Å; F568-F599 HydrophobicContact CE1-CE2 4.03Å; F568-F599 HydrophobicContact CE1-CZ 4.31Å; F568-F599 HydrophobicContact CE2-CZ 4.45Å; F568-F599 HydrophobicContact CG-CE1 4.4Å; F568-F599 AromaticContact CG-CE2 3.86Å; F568-F599 HydrophobicContact CG-CE2 3.86Å; F568-F599 AromaticContact CG-CZ 3.38Å; F568-F599 HydrophobicContact CG-CZ 3.38Å; V570-F599 HydrophobicContact CG2-CD1 4.13Å; V570-F599 HydrophobicContact CG2-CD2 4.21Å; V570-F599 HydrophobicContact CG2-CE1 4.38Å; V570-F599 HydrophobicContact CG2-CE2 4.46Å; V570-F599 HydrophobicContact CG2-CG 4.04Å; K582-F599 WeakPolarHBondContact O-CA 3.49Å; F583-F599 HydrophobicContact CB-CD1 3.8Å; F583-F599 HydrophobicContact CB-CE1 3.92Å; F583-F599 HydrophobicContact CB-CG 4.46Å; I597-F599 HydrophobicContact CD1-CE1 4.49Å; I597-F599 HydrophobicContact CD1-CE2 4.34Å; I597-F599 HydrophobicContact CD1-CZ 3.86Å; I597-F599 HydrophobicContact CG1-CE2 4.11Å; I597-F599 HydrophobicContact CG1-CZ 4.07Å; I597-F599 HydrophobicContact CG2-CE2 4.08Å; F599-D610 VanDerWaalsContact O-CB 3.29Å; F599-D610 WeakPolarHBondContact O-CB 3.45Å; F599-V611 HydrophobicContact CB-CG2 4.03Å; F599-V611 HydrophobicContact CD2-CG2 4.34Å; F599-V611 PolarHBondContact N-O 3.14Å; F599-V611 PolarHBondContact O-N 3.36Å; F599-F613 AromaticContact CD2-CD2 3.97Å; F599-F613 HydrophobicContact CD2-CD2 3.97Å; F599-F613 AromaticContact CD2-CE2 3.99Å; F599-F613 HydrophobicContact CD2-CE2 3.99Å; F599-F613 AromaticContact CE2-CD2 3.76Å; F599-F613 HydrophobicContact CE2-CD2 3.76Å; F599-F613 HydrophobicContact CE2-CE2 4.05Å; F599-F637 AromaticContact CD1-CD1 3.74Å; F599-F637 HydrophobicContact CD1-CD1 3.74Å; F599-F637 AromaticContact CD1-CE1 3.68Å; F599-F637 HydrophobicContact CD1-CE1 3.68Å; F599-F637 AromaticContact CE1-CD1 3.92Å; F599-F637 HydrophobicContact CE1-CD1 3.92Å; F599-F637 AromaticContact CE1-CE1 3.68Å; F599-F637 HydrophobicContact CE1-CE1 3.68Å; F599-L639 HydrophobicContact CE1-CB 4.22Å; F599-L639 HydrophobicContact CE1-CD2 3.84Å; F599-L639 HydrophobicContact CZ-CD2 3.99Å
600	H	90.3	Very high	85.5	Confident	58 Å²	58	44.5 Å²	44.5	27%	0.269	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	144.9	179.1	66.5	97.2	0	0	0	111.1	P581 K582 D610	P581-H600 WeakPolarHBondContact CA-O 3.42Å; K582-H600 WeakPolarHBondContact CB-CE1 3.49Å; K582-H600 VanDerWaalsContact CB-NE2 3.29Å; K582-H600 WeakPolarHBondContact CB-NE2 3.49Å; K582-H600 PolarHBondContact N-O 2.92Å; K582-H600 PolarHBondContact O-CD2 3.47Å; K582-H600 PolarHBondContact O-N 3.38Å; K582-H600 VanDerWaalsContact O-O 3.14Å; H600-D610 VanDerWaalsContact CA-OD1 3.25Å; H600-D610 WeakPolarHBondContact CA-OD1 3.25Å; H600-D610 WeakPolarHBondContact CB-OD1 3.5Å; H600-D610 WeakPolarHBondContact CB-OD2 3.49Å
601	A	88.8	Confident	86	Confident	18 Å²	18	38 Å²	38	15%	0.149	23%	0.231	C	C	.	.			trans	-129.4	174.1	-179.5	0	0	0	0	0	110.8	Y572 L575 P581 Y605	Y572-A601 HydrophobicContact CD1-CB 3.63Å; Y572-A601 HydrophobicContact CE1-CB 3.29Å; Y572-A601 HydrophobicContact CE2-CB 4.44Å; Y572-A601 HydrophobicContact CG-CB 4.35Å; L575-A601 HydrophobicContact CD1-CB 4.03Å; P581-A601 HydrophobicContact CB-CB 4.15Å; P581-A601 HydrophobicContact CG-CB 4.15Å; A601-Y605 HydrophobicContact CB-CD2 4.36Å; A601-Y605 HydrophobicContact CB-CG 4.26Å
602	G	82.9	Confident	86.3	Confident	25 Å²	25	34.9 Å²	34.9	26%	0.258	21%	0.214	S	C	.	.			trans	-84.4	179.9	172.7	0	0	0	0	0	112.4	L575 Y605	L575-G602 WeakPolarHBondContact CD1-O 3.47Å; G602-Y605 WeakPolarHBondContact O-CB 3.41Å; G602-Y605 PolarHBondContact O-N 3.3Å
603	P	80.8	Confident	86.7	Confident	73 Å²	73	30.4 Å²	30.4	47%	0.474	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	141.3	176.8	-26.8	35.2	0	0	0	112.5	L576 Y605	L576-P603 WeakPolarHBondContact CB-O 3.36Å; L576-P603 HydrophobicContact CD1-CB 4.03Å; L576-P603 PolarHBondContact N-O 2.82Å; P603-Y605 VanDerWaalsContact C-N 3.31Å
604	P	75.7	Confident	87	Confident	41 Å²	41	28.2 Å²	28.2	27%	0.266	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86.7	10.1	6	37.5	-37.1	0	0	0	113.6	D574 L576 E606	D574-P604 HydrophobicContact CB-CG 4.15Å; D574-P604 WeakPolarHBondContact O-CD 3.37Å; D574-P604 WeakPolarHBondContact O-CG 3.42Å; L576-P604 HydrophobicContact CD1-CB 4.17Å; L576-P604 HydrophobicContact CD1-CG 4.42Å; P604-E606 PolarHBondContact O-N 3.48Å
605	Y	82.7	Confident	87	Confident	8 Å²	8	24.9 Å²	24.9	3%	0.031	15%	0.154	C	C	.	.	S	Bend	trans	-84.2	104.2	177.7	-59.2	-89.3	0	0	0	108.7	R531 P533 Y572 P573 D574 L575 A601 G602 P603	R531-Y605 HydrophobicContact CB-CE1 4.32Å; R531-Y605 WeakPolarHBondContact O-CD1 3.38Å; R531-Y605 WeakPolarHBondContact O-CE1 3.47Å; P533-Y605 HydrophobicContact CB-CD1 4.14Å; P533-Y605 HydrophobicContact CB-CE1 3.98Å; P533-Y605 HydrophobicContact CG-CD1 4.39Å; Y572-Y605 AromaticContact CD1-CD1 3.64Å; Y572-Y605 HydrophobicContact CD1-CD1 3.64Å; Y572-Y605 AromaticContact CD1-CD2 3.7Å; Y572-Y605 HydrophobicContact CD1-CD2 3.7Å; Y572-Y605 AromaticContact CD1-CE1 3.69Å; Y572-Y605 HydrophobicContact CD1-CE1 3.69Å; Y572-Y605 AromaticContact CD1-CE2 3.77Å; Y572-Y605 HydrophobicContact CD1-CE2 3.77Å; Y572-Y605 AromaticContact CD1-CG 3.66Å; Y572-Y605 HydrophobicContact CD1-CG 3.66Å; Y572-Y605 AromaticContact CD1-CZ 3.78Å; Y572-Y605 AromaticContact CE1-CD1 3.88Å; Y572-Y605 HydrophobicContact CE1-CD1 3.88Å; Y572-Y605 HydrophobicContact CE1-CD2 4.41Å; Y572-Y605 HydrophobicContact CE1-CE1 4.29Å; Y572-Y605 AromaticContact CE1-CG 3.97Å; Y572-Y605 HydrophobicContact CE1-CG 3.97Å; Y572-Y605 HydrophobicContact CG-CE2 4.43Å; P573-Y605 VanDerWaalsContact CD-OH 3.25Å; P573-Y605 WeakPolarHBondContact CD-OH 3.41Å; D574-Y605 PolarHBondContact N-OH 3.19Å; L575-Y605 HydrophobicContact CD1-CD2 4.05Å; A601-Y605 HydrophobicContact CB-CD2 4.36Å; A601-Y605 HydrophobicContact CB-CG 4.26Å; G602-Y605 WeakPolarHBondContact O-CB 3.41Å; G602-Y605 PolarHBondContact O-N 3.3Å; P603-Y605 VanDerWaalsContact C-N 3.31Å
606	E	77.3	Confident	87	Confident	30 Å²	30	26.4 Å²	26.4	14%	0.14	16%	0.163	C	C	.	.			trans	-79.4	158	175.1	-75.3	167.6	-137.6	0	0	112	W524 P530 P604 S608 C609	W524-E606 HydrophobicContact CH2-CG 3.5Å; W524-E606 VanDerWaalsContact CH2-CG 3.5Å; W524-E606 WeakPolarHBondContact CH2-OE1 3.41Å; W524-E606 HydrophobicContact CZ2-CG 4.31Å; W524-E606 HydrophobicContact CZ3-CG 4.01Å; W524-E606 WeakPolarHBondContact CZ3-OE1 3.39Å; P530-E606 HydrophobicContact CB-CB 4.25Å; P530-E606 HydrophobicContact CB-CG 4.35Å; P604-E606 PolarHBondContact O-N 3.48Å; E606-S608 PolarHBondContact O-N 3.43Å; E606-S608 VanDerWaalsContact O-N 3.07Å; E606-S608 PolarHBondContact OE2-OG 2.78Å; E606-C609 WeakPolarHBondContact O-CA 3.46Å; E606-C609 PolarHBondContact O-N 3.03Å
607	A	75.9	Confident	87	Confident	68 Å²	68	31.2 Å²	31.2	56%	0.562	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-57.5	-25.3	176.8	0	0	0	0	0	113.6	C609 D610	A607-C609 PolarHBondContact O-N 3.38Å; A607-D610 WeakPolarHBondContact CA-OD2 3.45Å; A607-D610 WeakPolarHBondContact O-CB 3.4Å; A607-D610 PolarHBondContact O-N 2.79Å
608	S	71.5	Confident	86.7	Confident	40 Å²	40	34 Å²	34	28%	0.28	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-67.6	-21.7	174.7	63.7	0	0	0	0	113.2	E606	E606-S608 PolarHBondContact O-N 3.43Å; E606-S608 VanDerWaalsContact O-N 3.07Å; E606-S608 PolarHBondContact OE2-OG 2.78Å
609	C	78.5	Confident	86.5	Confident	19 Å²	19	37.3 Å²	37.3	13%	0.128	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-104.7	4.1	-179.8	-74.7	0	0	0	0	113.8	P530 P533 E606 A607 V611	P530-C609 VanDerWaalsContact CB-SG 3.53Å; P530-C609 PolarHBondContact O-SG 2.85Å; P533-C609 VanDerWaalsContact CD-O 3.23Å; P533-C609 WeakPolarHBondContact CD-O 3.46Å; E606-C609 WeakPolarHBondContact O-CA 3.46Å; E606-C609 PolarHBondContact O-N 3.03Å; A607-C609 PolarHBondContact O-N 3.38Å; C609-V611 PolarHBondContact O-N 3.37Å
610	D	88.2	Confident	86.4	Confident	18 Å²	18	38.9 Å²	38.9	10%	0.096	22%	0.215	C	C	.	.			trans	-58.4	135.3	176.4	-73	-18.3	0	0	0	111.2	K598 F599 H600 A607	K598-D610 HydrophobicContact CD-CB 4.42Å; K598-D610 VanDerWaalsContact CE-CG 3.49Å; K598-D610 WeakPolarHBondContact CE-OD2 3.34Å; K598-D610 HydrophobicContact CG-CB 4.22Å; K598-D610 IonicContact NZ-OD2 3.06Å; K598-D610 PolarHBondContact NZ-OD2 2.83Å; F599-D610 VanDerWaalsContact O-CB 3.29Å; F599-D610 WeakPolarHBondContact O-CB 3.45Å; H600-D610 VanDerWaalsContact CA-OD1 3.25Å; H600-D610 WeakPolarHBondContact CA-OD1 3.25Å; H600-D610 WeakPolarHBondContact CB-OD1 3.5Å; H600-D610 WeakPolarHBondContact CB-OD2 3.49Å; A607-D610 WeakPolarHBondContact CA-OD2 3.45Å; A607-D610 WeakPolarHBondContact O-CB 3.4Å; A607-D610 PolarHBondContact O-N 2.79Å
611	V	91.4	Very high	86.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	131.7	177	-69.3	0	0	0	0	110.3	K532 P533 Y535 V570 F599 C609 F613	K532-V611 HydrophobicContact CG-CG1 4.28Å; P533-V611 HydrophobicContact CG-CG1 3.88Å; P533-V611 HydrophobicContact CG-CG2 4Å; Y535-V611 HydrophobicContact CD1-CB 4.41Å; Y535-V611 HydrophobicContact CD1-CG1 4.05Å; Y535-V611 HydrophobicContact CD1-CG2 4.47Å; Y535-V611 HydrophobicContact CE1-CG1 4.08Å; V570-V611 HydrophobicContact CG1-CG2 4.03Å; F599-V611 HydrophobicContact CB-CG2 4.03Å; F599-V611 HydrophobicContact CD2-CG2 4.34Å; F599-V611 PolarHBondContact N-O 3.14Å; F599-V611 PolarHBondContact O-N 3.36Å; C609-V611 PolarHBondContact O-N 3.37Å; V611-F613 HydrophobicContact CB-CE2 4.04Å; V611-F613 HydrophobicContact CB-CZ 4.15Å; V611-F613 HydrophobicContact CG2-CE2 3.98Å; V611-F613 HydrophobicContact CG2-CZ 4.38Å
612	A	93	Very high	86.4	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	149.6	178.7	0	0	0	0	0	111.8	E513 H514 V516 I596 I597 K598	E513-A612 CarbonylContact C-O 3.6Å; E513-A612 WeakPolarHBondContact CA-O 3.33Å; H514-A612 HydrophobicContact CB-CB 4.39Å; H514-A612 PolarHBondContact N-O 2.89Å; V516-A612 HydrophobicContact CG2-CB 3.36Å; I596-A612 HydrophobicContact CG2-CB 3.74Å; I597-A612 CarbonylContact O-C 3.55Å; I597-A612 VanDerWaalsContact O-CA 3.24Å; I597-A612 WeakPolarHBondContact O-CA 3.33Å; K598-A612 HydrophobicContact CB-CB 4.08Å; K598-A612 HydrophobicContact CG-CB 4.25Å
613	F	94.6	Very high	86.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	134.6	-175.6	-60.6	-77.2	0	0	0	110.6	F510 E513 Y535 N537 F568 I596 I597 F599 V611 I615	F510-F613 HydrophobicContact CD1-CD1 4.4Å; F510-F613 HydrophobicContact CE1-CB 4.03Å; F510-F613 AromaticContact CE1-CD1 3.74Å; F510-F613 HydrophobicContact CE1-CD1 3.74Å; F510-F613 HydrophobicContact CE1-CG 4.23Å; E513-F613 HydrophobicContact CG-CE1 3.96Å; Y535-F613 AromaticContact CD1-CZ 3.79Å; Y535-F613 HydrophobicContact CD1-CZ 3.79Å; Y535-F613 HydrophobicContact CD2-CE1 4.01Å; Y535-F613 AromaticContact CD2-CZ 3.63Å; Y535-F613 HydrophobicContact CD2-CZ 3.63Å; Y535-F613 HydrophobicContact CE1-CE1 4.32Å; Y535-F613 AromaticContact CE1-CZ 3.84Å; Y535-F613 HydrophobicContact CE1-CZ 3.84Å; Y535-F613 AromaticContact CE2-CE1 3.67Å; Y535-F613 HydrophobicContact CE2-CE1 3.67Å; Y535-F613 AromaticContact CE2-CZ 3.7Å; Y535-F613 HydrophobicContact CE2-CZ 3.7Å; Y535-F613 HydrophobicContact CG-CE1 4.49Å; Y535-F613 AromaticContact CG-CZ 3.7Å; Y535-F613 HydrophobicContact CG-CZ 3.7Å; Y535-F613 AromaticContact CZ-CE1 3.85Å; Y535-F613 AromaticContact CZ-CZ 3.81Å; N537-F613 VanDerWaalsContact ND2-CE1 3.26Å; N537-F613 WeakPolarHBondContact ND2-CE1 3.32Å; N537-F613 VanDerWaalsContact ND2-CE2 3.28Å; N537-F613 WeakPolarHBondContact ND2-CE2 3.5Å; N537-F613 WeakPolarHBondContact ND2-CZ 3.39Å; F568-F613 HydrophobicContact CD1-CD2 4.1Å; F568-F613 HydrophobicContact CD1-CE2 4.44Å; F568-F613 HydrophobicContact CE1-CB 4.02Å; F568-F613 AromaticContact CE1-CD2 3.76Å; F568-F613 HydrophobicContact CE1-CD2 3.76Å; F568-F613 HydrophobicContact CE1-CE2 4.48Å; F568-F613 AromaticContact CE1-CG 3.92Å; F568-F613 HydrophobicContact CE1-CG 3.92Å; F568-F613 HydrophobicContact CZ-CB 4.5Å; I596-F613 CarbonylContact C-O 3.59Å; I596-F613 WeakPolarHBondContact CA-O 3.11Å; I597-F613 HydrophobicContact CG2-CB 3.94Å; I597-F613 PolarHBondContact N-O 2.84Å; I597-F613 PolarHBondContact O-N 3.34Å; F599-F613 AromaticContact CD2-CD2 3.97Å; F599-F613 HydrophobicContact CD2-CD2 3.97Å; F599-F613 AromaticContact CD2-CE2 3.99Å; F599-F613 HydrophobicContact CD2-CE2 3.99Å; F599-F613 AromaticContact CE2-CD2 3.76Å; F599-F613 HydrophobicContact CE2-CD2 3.76Å; F599-F613 HydrophobicContact CE2-CE2 4.05Å; V611-F613 HydrophobicContact CB-CE2 4.04Å; V611-F613 HydrophobicContact CB-CZ 4.15Å; V611-F613 HydrophobicContact CG2-CE2 3.98Å; V611-F613 HydrophobicContact CG2-CZ 4.38Å; F613-I615 PolarHBondContact O-N 3.28Å
614	K	93.2	Very high	86.6	Confident	66 Å²	66	48.8 Å²	48.8	29%	0.287	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	117.2	170.9	-169.3	173.4	177.7	173.7	0	109	D591 F594	D591-K614 IonicContact OD2-NZ 3.86Å; D591-K614 PolarHBondContact OD2-NZ 3.47Å; F594-K614 HydrophobicContact CB-CD 4.27Å; F594-K614 VanDerWaalsContact CB-CE 3.4Å; F594-K614 HydrophobicContact CB-CG 3.88Å; F594-K614 HydrophobicContact CD1-CD 4.48Å; F594-K614 HydrophobicContact CD1-CG 4.05Å; F594-K614 HydrophobicContact CG-CD 4.35Å; F594-K614 HydrophobicContact CG-CG 4.17Å
615	I	93.9	Very high	87	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	159.6	176.7	60.9	165.6	0	0	0	111.2	Y566 F568 F594 C595 I597 F613 K617 W620 F641	Y566-I615 HydrophobicContact CD1-CG2 4.09Å; Y566-I615 HydrophobicContact CD2-CB 4.3Å; Y566-I615 HydrophobicContact CD2-CG2 4.15Å; Y566-I615 HydrophobicContact CE1-CB 4.4Å; Y566-I615 HydrophobicContact CE1-CG2 3.8Å; Y566-I615 HydrophobicContact CE2-CB 3.71Å; Y566-I615 HydrophobicContact CE2-CG2 3.87Å; Y566-I615 HydrophobicContact CG-CG2 4.26Å; F568-I615 HydrophobicContact CE2-CG2 4.38Å; F568-I615 HydrophobicContact CZ-CG2 3.68Å; F594-I615 CarbonylContact C-O 3.58Å; F594-I615 VanDerWaalsContact CA-O 3.3Å; F594-I615 WeakPolarHBondContact CA-O 3.46Å; C595-I615 PolarHBondContact N-O 2.66Å; C595-I615 WeakPolarHBondContact O-CG1 3.44Å; C595-I615 PolarHBondContact O-N 2.84Å; I597-I615 HydrophobicContact CB-CD1 3.88Å; I597-I615 HydrophobicContact CB-CG1 4.25Å; I597-I615 HydrophobicContact CD1-CD1 4.41Å; I597-I615 HydrophobicContact CG2-CD1 3.94Å; I597-I615 HydrophobicContact CG2-CG1 4.1Å; I597-I615 HydrophobicContact CG2-CG2 3.8Å; F613-I615 PolarHBondContact O-N 3.28Å; I615-K617 PolarHBondContact O-N 3.46Å; I615-W620 HydrophobicContact CD1-CZ3 4.01Å; I615-F641 HydrophobicContact CD1-CZ 4.1Å
616	V	92.7	Very high	87.1	Confident	36 Å²	36	61.4 Å²	61.4	22%	0.218	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	128.4	175	178.1	0	0	0	0	109.4	V563 Y566 F594 R618 F643	V563-V616 HydrophobicContact CB-CG2 4.33Å; V563-V616 HydrophobicContact CG2-CG2 4.42Å; Y566-V616 PolarHBondContact OH-N 2.9Å; F594-V616 HydrophobicContact CD1-CG2 4.32Å; F594-V616 HydrophobicContact CE1-CG2 3.91Å; V616-R618 VanDerWaalsContact C-N 3.32Å; V616-R618 HydrophobicContact CG1-CB 4.12Å; V616-R618 PolarHBondContact O-N 3.12Å; V616-F643 HydrophobicContact CB-CE2 3.98Å; V616-F643 HydrophobicContact CB-CZ 3.89Å; V616-F643 HydrophobicContact CG1-CE2 4.48Å; V616-F643 HydrophobicContact CG1-CZ 4.46Å; V616-F643 VanDerWaalsContact O-CZ 3.26Å; V616-F643 WeakPolarHBondContact O-CZ 3.45Å
617	K	91.7	Very high	87.5	Confident	121 Å²	121	62 Å²	62	53%	0.526	32%	0.319	S	S	.	.			trans	-76.1	84.9	176.9	-172.4	-174.1	-178.7	-179.2	0	109.4	S592 D593 C595 I615	S592-K617 VanDerWaalsContact O-CD 3.29Å; S592-K617 WeakPolarHBondContact O-CD 3.42Å; D593-K617 WeakPolarHBondContact O-CB 3.49Å; D593-K617 PolarHBondContact O-N 2.86Å; C595-K617 HydrophobicContact CB-CB 4.05Å; C595-K617 HydrophobicContact CB-CG 4.13Å; I615-K617 PolarHBondContact O-N 3.46Å
618	R	89.8	Confident	88.3	Confident	58 Å²	58	60.9 Å²	60.9	22%	0.219	30%	0.3	C	S	.	.			trans	-142.4	146.8	178.4	-169.5	155.1	70.8	151.2	-1.5	110.4	E544 V563 V616 F643 Y646	E544-R618 IonicContact OE1-NH1 3.52Å; V563-R618 PolarHBondContact O-NH2 3.15Å; V616-R618 VanDerWaalsContact C-N 3.32Å; V616-R618 HydrophobicContact CG1-CB 4.12Å; V616-R618 PolarHBondContact O-N 3.12Å; R618-F643 HydrophobicContact CB-CD1 3.62Å; R618-F643 HydrophobicContact CB-CE1 3.71Å; R618-F643 HydrophobicContact CB-CG 4.1Å; R618-F643 HydrophobicContact CB-CZ 4.22Å; R618-F643 HydrophobicContact CG-CB 4.32Å; R618-F643 HydrophobicContact CG-CD1 4.04Å; R618-F643 HydrophobicContact CG-CG 4.23Å; R618-F643 WeakPolarHBondContact O-CD1 3.33Å; R618-F643 WeakPolarHBondContact O-CE1 3.11Å; R618-Y646 HydrophobicContact CG-CE2 4Å
619	E	89.6	Confident	89.3	Confident	103 Å²	103	62.7 Å²	62.7	48%	0.481	30%	0.301	S	S	.	.			trans	-67	141.8	176	-63.6	-177.7	-174.7	0	0	110.8	F643 K644 Y646	E619-F643 WeakPolarHBondContact O-CA 3.38Å; E619-K644 HydrophobicContact CB-CD 3.92Å; E619-K644 HydrophobicContact CB-CG 4.38Å; E619-K644 PolarHBondContact O-N 2.89Å; E619-K644 WeakPolarHBondContact OE2-CD 3.46Å; E619-K644 IonicContact OE2-NZ 3.13Å; E619-K644 PolarHBondContact OE2-NZ 3.44Å; E619-Y646 WeakPolarHBondContact CB-OH 3.43Å; E619-Y646 VanDerWaalsContact CD-OH 3.32Å; E619-Y646 VanDerWaalsContact CG-OH 3.31Å; E619-Y646 WeakPolarHBondContact CG-OH 3.29Å; E619-Y646 PolarHBondContact OE2-OH 2.95Å
620	W	92.5	Very high	90	Very high	34 Å²	34	64.1 Å²	64.1	13%	0.129	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-115	160.9	175.6	57.2	71.3	0	0	0	113.2	F583 I585 I615 F641 Q642 F643 K644	F583-W620 HydrophobicContact CE2-CZ2 4.26Å; I585-W620 HydrophobicContact CD1-CH2 3.25Å; I585-W620 HydrophobicContact CD1-CZ2 3.71Å; I585-W620 HydrophobicContact CD1-CZ3 4.22Å; I585-W620 HydrophobicContact CG1-CH2 4.02Å; I615-W620 HydrophobicContact CD1-CZ3 4.01Å; W620-F641 HydrophobicContact CB-CB 3.94Å; W620-F641 HydrophobicContact CB-CD2 3.4Å; W620-F641 HydrophobicContact CB-CE2 4.17Å; W620-F641 HydrophobicContact CB-CG 3.95Å; W620-F641 HydrophobicContact CD2-CB 4.47Å; W620-F641 HydrophobicContact CD2-CD1 4.34Å; W620-F641 AromaticContact CD2-CD2 3.65Å; W620-F641 HydrophobicContact CD2-CD2 3.65Å; W620-F641 AromaticContact CD2-CE2 3.82Å; W620-F641 HydrophobicContact CD2-CE2 3.82Å; W620-F641 AromaticContact CD2-CG 3.91Å; W620-F641 HydrophobicContact CD2-CG 3.91Å; W620-F641 HydrophobicContact CD2-CZ 4.25Å; W620-F641 AromaticContact CE3-CD2 3.72Å; W620-F641 HydrophobicContact CE3-CD2 3.72Å; W620-F641 HydrophobicContact CE3-CE1 4.37Å; W620-F641 AromaticContact CE3-CE2 3.38Å; W620-F641 HydrophobicContact CE3-CE2 3.38Å; W620-F641 HydrophobicContact CE3-CG 4.33Å; W620-F641 AromaticContact CE3-CZ 3.74Å; W620-F641 HydrophobicContact CE3-CZ 3.74Å; W620-F641 HydrophobicContact CG-CB 3.85Å; W620-F641 AromaticContact CG-CD2 3.55Å; W620-F641 HydrophobicContact CG-CD2 3.55Å; W620-F641 HydrophobicContact CG-CE2 4.19Å; W620-F641 AromaticContact CG-CG 3.76Å; W620-F641 HydrophobicContact CG-CG 3.76Å; W620-F641 HydrophobicContact CH2-CE1 4.46Å; W620-F641 HydrophobicContact CH2-CZ 4.32Å; W620-F641 HydrophobicContact CZ3-CE1 4.34Å; W620-F641 AromaticContact CZ3-CE2 3.91Å; W620-F641 HydrophobicContact CZ3-CE2 3.91Å; W620-F641 AromaticContact CZ3-CZ 3.78Å; W620-F641 HydrophobicContact CZ3-CZ 3.78Å; W620-Q642 CarbonylContact C-O 3.49Å; W620-Q642 VanDerWaalsContact CA-O 3.24Å; W620-Q642 WeakPolarHBondContact CA-O 3.24Å; W620-Q642 VanDerWaalsContact CB-O 3.24Å; W620-Q642 WeakPolarHBondContact CB-O 3.31Å; W620-F643 HydrophobicContact CB-CD1 4.14Å; W620-F643 HydrophobicContact CE3-CE1 4.07Å; W620-K644 VanDerWaalsContact O-CE 3.27Å; W620-K644 WeakPolarHBondContact O-CE 3.34Å
621	E	91	Very high	90.1	Very high	44 Å²	44	65.7 Å²	65.7	21%	0.206	32%	0.319	C	S	.	.			trans	-77	125.3	176.1	-65.2	-172.5	-175.8	0	0	109.4	K626 Y628 Q642 K644	E621-K626 HydrophobicContact CB-CB 4.13Å; E621-K626 WeakPolarHBondContact OE2-CB 3.45Å; E621-K626 WeakPolarHBondContact OE2-CD 3.42Å; E621-K626 WeakPolarHBondContact OE2-CE 3.35Å; E621-K626 WeakPolarHBondContact OE2-CG 3.42Å; E621-Y628 WeakPolarHBondContact O-CB 3.21Å; E621-Y628 WeakPolarHBondContact O-CD2 3.34Å; E621-Q642 PolarHBondContact N-O 3.25Å; E621-K644 HydrophobicContact CG-CB 4.44Å; E621-K644 HydrophobicContact CG-CG 3.72Å
622	I	88.7	Confident	90.1	Very high	115 Å²	115	68.3 Å²	68.3	59%	0.59	33%	0.33	S	S	*	.			trans	-93.8	-3.9	178.5	-55.2	169.1	0	0	0	110.7	Q624 Y628	I622-Q624 PolarHBondContact O-N 3Å; I622-Y628 VanDerWaalsContact C-CB 3.44Å; I622-Y628 HydrophobicContact CG2-CD1 4.02Å; I622-Y628 HydrophobicContact CG2-CE1 3.85Å; I622-Y628 HydrophobicContact CG2-CE2 4.5Å; I622-Y628 HydrophobicContact CG2-CG 4.4Å; I622-Y628 WeakPolarHBondContact O-CB 3.46Å; I622-Y628 WeakPolarHBondContact O-CD1 3.26Å
623	S	84.4	Confident	89.5	Confident	57 Å²	57	73.7 Å²	73.7	40%	0.399	36%	0.355	S	S	.	.			trans	-73	125.1	-178.7	-168.9	0	0	0	0	111	K625 K626 Y628	S623-K625 PolarHBondContact O-N 2.99Å; S623-K626 WeakPolarHBondContact O-CA 3.47Å; S623-K626 WeakPolarHBondContact O-CB 3.37Å; S623-K626 PolarHBondContact O-N 3.31Å; S623-Y628 WeakPolarHBondContact O-CB 3.22Å; S623-Y628 PolarHBondContact O-N 2.93Å
624	Q	82.8	Confident	88.8	Confident	166 Å²	166	81.2 Å²	81.2	78%	0.776	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-57.2	-32	173	-67.4	178.1	-7.2	0	0	112.2	I622 K626 G627	I622-Q624 PolarHBondContact O-N 3Å; Q624-K626 PolarHBondContact O-N 2.84Å; Q624-K626 VanDerWaalsContact O-N 3.1Å; Q624-G627 PolarHBondContact O-N 2.87Å; Q624-G627 VanDerWaalsContact O-N 3.13Å
625	K	84	Confident	88.4	Confident	200 Å²	200	78.8 Å²	78.8	87%	0.87	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-62	-17.3	174.4	-65.1	-173.8	177.5	-177.2	0	113.5	S623	S623-K625 PolarHBondContact O-N 2.99Å
626	K	85.5	Confident	88.1	Confident	114 Å²	114	79.5 Å²	79.5	50%	0.496	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-109.7	16.3	-177.3	-66	-71.9	-158.7	171.4	0	112.3	E621 S623 Q624	E621-K626 HydrophobicContact CB-CB 4.13Å; E621-K626 WeakPolarHBondContact OE2-CB 3.45Å; E621-K626 WeakPolarHBondContact OE2-CD 3.42Å; E621-K626 WeakPolarHBondContact OE2-CE 3.35Å; E621-K626 WeakPolarHBondContact OE2-CG 3.42Å; S623-K626 WeakPolarHBondContact O-CA 3.47Å; S623-K626 WeakPolarHBondContact O-CB 3.37Å; S623-K626 PolarHBondContact O-N 3.31Å; Q624-K626 PolarHBondContact O-N 2.84Å; Q624-K626 VanDerWaalsContact O-N 3.1Å
627	G	85	Confident	88.1	Confident	41 Å²	41	78.1 Å²	78.1	42%	0.423	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	8.8	177.3	0	0	0	0	0	114.5	Q624 R629	Q624-G627 PolarHBondContact O-N 2.87Å; Q624-G627 VanDerWaalsContact O-N 3.13Å; G627-R629 PolarHBondContact O-N 3.09Å
628	Y	93.3	Very high	88.2	Confident	45 Å²	45	72.5 Å²	72.5	18%	0.176	36%	0.359	C	S	.	.			trans	-65.5	127.1	171.7	-176.9	-102.6	0	0	0	110.8	E621 I622 S623 C630 L639 W640 F641	E621-Y628 WeakPolarHBondContact O-CB 3.21Å; E621-Y628 WeakPolarHBondContact O-CD2 3.34Å; I622-Y628 VanDerWaalsContact C-CB 3.44Å; I622-Y628 HydrophobicContact CG2-CD1 4.02Å; I622-Y628 HydrophobicContact CG2-CE1 3.85Å; I622-Y628 HydrophobicContact CG2-CE2 4.5Å; I622-Y628 HydrophobicContact CG2-CG 4.4Å; I622-Y628 WeakPolarHBondContact O-CB 3.46Å; I622-Y628 WeakPolarHBondContact O-CD1 3.26Å; S623-Y628 WeakPolarHBondContact O-CB 3.22Å; S623-Y628 PolarHBondContact O-N 2.93Å; Y628-C630 HydrophobicContact CE1-CB 3.93Å; Y628-C630 WeakPolarHBondContact OH-CB 3.47Å; Y628-L639 HydrophobicContact CE2-CD1 4.25Å; Y628-W640 CarbonylContact C-O 3.53Å; Y628-W640 VanDerWaalsContact CA-O 3.28Å; Y628-W640 WeakPolarHBondContact CA-O 3.41Å; Y628-W640 WeakPolarHBondContact CD2-O 3.46Å; Y628-F641 HydrophobicContact CD2-CB 3.99Å; Y628-F641 HydrophobicContact CE2-CB 4.45Å
629	R	91.3	Very high	88.4	Confident	78 Å²	78	69.7 Å²	69.7	29%	0.294	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	129.1	176.9	-168.2	175.6	-174.2	162.4	2.6	108.6	G627 I631 L639 W640	G627-R629 PolarHBondContact O-N 3.09Å; R629-I631 HydrophobicContact CG-CD1 4.37Å; R629-I631 HydrophobicContact CG-CG1 4.08Å; R629-I631 HydrophobicContact CG-CG2 4.48Å; R629-I631 VanDerWaalsContact NH2-CD1 3.28Å; R629-L639 CarbonylContact O-C 3.55Å; R629-L639 VanDerWaalsContact O-CA 3.27Å; R629-L639 WeakPolarHBondContact O-CA 3.19Å; R629-W640 HydrophobicContact CB-CB 3.93Å; R629-W640 HydrophobicContact CB-CD2 4.06Å; R629-W640 HydrophobicContact CB-CE3 3.98Å; R629-W640 HydrophobicContact CB-CG 4.07Å; R629-W640 HydrophobicContact CG-CE3 4.43Å; R629-W640 PolarHBondContact N-O 3.45Å; R629-W640 PolarHBondContact O-N 2.88Å
630	C	93.3	Very high	88.7	Confident	49 Å²	49	67.6 Å²	67.6	33%	0.331	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	90.6	173.9	-174	0	0	0	0	106.9	Y628 Q638 L639	Y628-C630 HydrophobicContact CE1-CB 3.93Å; Y628-C630 WeakPolarHBondContact OH-CB 3.47Å; C630-Q638 WeakPolarHBondContact CA-O 3.41Å; C630-L639 HydrophobicContact CB-CD1 4.17Å
631	I	91.5	Very high	88.8	Confident	51 Å²	51	66.2 Å²	66.2	26%	0.262	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150.5	-176.2	67.3	170.9	0	0	0	111	R629 Q633 Q638	R629-I631 HydrophobicContact CG-CD1 4.37Å; R629-I631 HydrophobicContact CG-CG1 4.08Å; R629-I631 HydrophobicContact CG-CG2 4.48Å; R629-I631 VanDerWaalsContact NH2-CD1 3.28Å; I631-Q633 HydrophobicContact CD1-CG 4.12Å; I631-Q638 HydrophobicContact CG1-CB 4.13Å; I631-Q638 PolarHBondContact N-O 3.49Å; I631-Q638 PolarHBondContact O-N 2.83Å
632	F	90.6	Very high	88.9	Confident	56 Å²	56	67.4 Å²	67.4	25%	0.246	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.3	170.2	-176.7	-120.8	0	0	0	109	Y572 L575 P580 P581 G635 I636 F637	Y572-F632 HydrophobicContact CD2-CE2 4.47Å; L575-F632 HydrophobicContact CD2-CE1 3.68Å; L575-F632 HydrophobicContact CD2-CZ 3.61Å; P580-F632 HydrophobicContact CB-CB 3.76Å; P580-F632 HydrophobicContact CB-CD1 4.3Å; P580-F632 HydrophobicContact CB-CG 4.29Å; P581-F632 VanDerWaalsContact CD-CD2 3.45Å; P581-F632 HydrophobicContact CG-CD2 3.94Å; P581-F632 HydrophobicContact CG-CE2 3.85Å; P581-F632 HydrophobicContact CG-CG 4.5Å; P581-F632 HydrophobicContact CG-CZ 4.34Å; F632-G635 VanDerWaalsContact CE2-C 3.44Å; F632-I636 WeakPolarHBondContact CA-O 3.47Å; F632-F637 HydrophobicContact CB-CD2 4.16Å; F632-F637 HydrophobicContact CD2-CB 4.02Å; F632-F637 HydrophobicContact CD2-CD2 4.45Å
633	Q	81.2	Confident	89.1	Confident	114 Å²	114	62.2 Å²	62.2	53%	0.533	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	136.5	-179.3	-68.6	-176.6	-18.4	0	0	109.9	I631 G635 I636	I631-Q633 HydrophobicContact CD1-CG 4.12Å; Q633-G635 VanDerWaalsContact C-N 3.29Å; Q633-G635 PolarHBondContact O-N 3.23Å; Q633-I636 PolarHBondContact N-O 2.82Å; Q633-I636 WeakPolarHBondContact O-CB 3.44Å; Q633-I636 PolarHBondContact O-N 3.49Å
634	N	79.9	Confident	89.4	Confident	158 Å²	158	63.1 Å²	63.1	85%	0.845	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	43	178.7	-59.4	-10.6	0	0	0	113.8	I636	N634-I636 PolarHBondContact O-N 2.72Å
635	G	83.7	Confident	89.3	Confident	15 Å²	15	61.8 Å²	61.8	16%	0.155	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	1.9	-176.8	0	0	0	0	0	114.6	Y572 F632 Q633	Y572-G635 CarbonylContact C-O 3.53Å; Y572-G635 PolarHBondContact N-O 2.81Å; Y572-G635 WeakPolarHBondContact O-CA 3.39Å; F632-G635 VanDerWaalsContact CE2-C 3.44Å; Q633-G635 VanDerWaalsContact C-N 3.29Å; Q633-G635 PolarHBondContact O-N 3.23Å
636	I	87.4	Confident	88.9	Confident	15 Å²	15	58.2 Å²	58.2	8%	0.077	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.9	-178.8	-55	165.3	0	0	0	110	F495 F498 N569 V570 F571 F632 Q633 N634 Q638	F495-I636 HydrophobicContact CD2-CD1 3.72Å; F495-I636 HydrophobicContact CD2-CG1 3.72Å; F495-I636 HydrophobicContact CD2-CG2 4.23Å; F495-I636 HydrophobicContact CE2-CD1 4.46Å; F495-I636 HydrophobicContact CE2-CG1 4.22Å; F495-I636 HydrophobicContact CE2-CG2 3.9Å; F498-I636 HydrophobicContact CD1-CD1 3.81Å; F498-I636 HydrophobicContact CE1-CD1 4.11Å; N569-I636 HydrophobicContact CB-CG2 4.31Å; V570-I636 CarbonylContact O-C 3.58Å; F571-I636 HydrophobicContact CD2-CG1 3.7Å; F571-I636 HydrophobicContact CE2-CG1 4.23Å; F632-I636 WeakPolarHBondContact CA-O 3.47Å; Q633-I636 PolarHBondContact N-O 2.82Å; Q633-I636 WeakPolarHBondContact O-CB 3.44Å; Q633-I636 PolarHBondContact O-N 3.49Å; N634-I636 PolarHBondContact O-N 2.72Å; I636-Q638 HydrophobicContact CG2-CG 3.85Å
637	F	93.4	Very high	87.9	Confident	6 Å²	6	60.9 Å²	60.9	3%	0.026	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	115.1	168.5	-172.5	-111.3	0	0	0	110.3	N569 V570 Y572 P581 F583 F599 F632 L639	N569-F637 WeakPolarHBondContact CA-O 3.47Å; V570-F637 HydrophobicContact CB-CB 4.44Å; V570-F637 PolarHBondContact N-O 3.45Å; V570-F637 PolarHBondContact O-N 3.44Å; Y572-F637 HydrophobicContact CD2-CB 4.3Å; Y572-F637 HydrophobicContact CE2-CB 4.19Å; P581-F637 HydrophobicContact CB-CB 4.27Å; P581-F637 HydrophobicContact CB-CD2 4.11Å; P581-F637 HydrophobicContact CB-CG 4.07Å; P581-F637 HydrophobicContact CG-CB 4.25Å; P581-F637 HydrophobicContact CG-CD2 4.47Å; P581-F637 HydrophobicContact CG-CG 4.48Å; P581-F637 WeakPolarHBondContact O-CE2 3.24Å; P581-F637 WeakPolarHBondContact O-CZ 3.31Å; F583-F637 HydrophobicContact CD1-CE1 4.09Å; F583-F637 AromaticContact CD1-CZ 3.95Å; F583-F637 HydrophobicContact CD1-CZ 3.95Å; F599-F637 AromaticContact CD1-CD1 3.74Å; F599-F637 HydrophobicContact CD1-CD1 3.74Å; F599-F637 AromaticContact CD1-CE1 3.68Å; F599-F637 HydrophobicContact CD1-CE1 3.68Å; F599-F637 AromaticContact CE1-CD1 3.92Å; F599-F637 HydrophobicContact CE1-CD1 3.92Å; F599-F637 AromaticContact CE1-CE1 3.68Å; F599-F637 HydrophobicContact CE1-CE1 3.68Å; F632-F637 HydrophobicContact CB-CD2 4.16Å; F632-F637 HydrophobicContact CD2-CB 4.02Å; F632-F637 HydrophobicContact CD2-CD2 4.45Å; F637-L639 HydrophobicContact CE1-CB 4.11Å
638	Q	92.7	Very high	86.5	Confident	3 Å²	3	69.2 Å²	69.2	1%	0.014	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	114.1	-178.2	-57.2	-172	-59.5	0	0	110.4	F568 C630 I631 I636	F568-Q638 WeakPolarHBondContact O-CA 3.43Å; C630-Q638 WeakPolarHBondContact CA-O 3.41Å; I631-Q638 HydrophobicContact CG1-CB 4.13Å; I631-Q638 PolarHBondContact N-O 3.49Å; I631-Q638 PolarHBondContact O-N 2.83Å; I636-Q638 HydrophobicContact CG2-CG 3.85Å
639	L	95.1	Very high	84.7	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	102.6	172.8	176.2	66.7	0	0	0	110.2	F568 F583 I597 F599 Y628 R629 C630 F637 F641	F568-L639 HydrophobicContact CB-CB 4.2Å; F568-L639 HydrophobicContact CD2-CD2 4.33Å; F568-L639 PolarHBondContact N-O 3.3Å; F568-L639 PolarHBondContact O-N 3.05Å; F583-L639 HydrophobicContact CD1-CD1 4.43Å; F583-L639 HydrophobicContact CD1-CD2 3.77Å; F583-L639 HydrophobicContact CD2-CD2 4.02Å; F583-L639 HydrophobicContact CE1-CD1 3.8Å; F583-L639 HydrophobicContact CE1-CD2 3.87Å; F583-L639 HydrophobicContact CE1-CG 4.43Å; F583-L639 HydrophobicContact CE2-CD2 4.11Å; F583-L639 HydrophobicContact CG-CD2 3.85Å; F583-L639 HydrophobicContact CZ-CD1 4.01Å; F583-L639 HydrophobicContact CZ-CD2 4.04Å; I597-L639 HydrophobicContact CD1-CD2 3.49Å; I597-L639 VanDerWaalsContact CD1-CD2 3.49Å; F599-L639 HydrophobicContact CE1-CB 4.22Å; F599-L639 HydrophobicContact CE1-CD2 3.84Å; F599-L639 HydrophobicContact CZ-CD2 3.99Å; Y628-L639 HydrophobicContact CE2-CD1 4.25Å; R629-L639 CarbonylContact O-C 3.55Å; R629-L639 VanDerWaalsContact O-CA 3.27Å; R629-L639 WeakPolarHBondContact O-CA 3.19Å; C630-L639 HydrophobicContact CB-CD1 4.17Å; F637-L639 HydrophobicContact CE1-CB 4.11Å; L639-F641 HydrophobicContact CD1-CD1 4.32Å; L639-F641 HydrophobicContact CD2-CD1 4.43Å; L639-F641 HydrophobicContact CD2-CE1 4.19Å; L639-F641 HydrophobicContact CG-CD1 4.03Å; L639-F641 HydrophobicContact CG-CE1 4.24Å
640	W	94.6	Very high	82.5	Confident	59 Å²	59	83.5 Å²	83.5	22%	0.223	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.3	179.6	-53.4	-9.7	0	0	0	109.7	Y566 K567 N569 Y628 R629	Y566-W640 WeakPolarHBondContact O-CA 3.42Å; K567-W640 HydrophobicContact CB-CG 4.06Å; K567-W640 HydrophobicContact CD-CD2 4.41Å; K567-W640 HydrophobicContact CD-CG 4.41Å; K567-W640 HydrophobicContact CG-CB 4.04Å; K567-W640 HydrophobicContact CG-CD2 4.34Å; K567-W640 HydrophobicContact CG-CG 3.84Å; N569-W640 PolarHBondContact OD1-NE1 3.01Å; Y628-W640 CarbonylContact C-O 3.53Å; Y628-W640 VanDerWaalsContact CA-O 3.28Å; Y628-W640 WeakPolarHBondContact CA-O 3.41Å; Y628-W640 WeakPolarHBondContact CD2-O 3.46Å; R629-W640 HydrophobicContact CB-CB 3.93Å; R629-W640 HydrophobicContact CB-CD2 4.06Å; R629-W640 HydrophobicContact CB-CE3 3.98Å; R629-W640 HydrophobicContact CB-CG 4.07Å; R629-W640 HydrophobicContact CG-CE3 4.43Å; R629-W640 PolarHBondContact N-O 3.45Å; R629-W640 PolarHBondContact O-N 2.88Å
641	F	95.2	Very high	82	Confident	4 Å²	4	85.2 Å²	85.2	2%	0.018	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	153.7	176.1	61.3	-97.5	0	0	0	111.5	G565 Y566 F568 I615 W620 Y628 L639 F643	G565-F641 CarbonylContact C-O 3.57Å; G565-F641 VanDerWaalsContact CA-O 3.26Å; G565-F641 WeakPolarHBondContact CA-O 3.42Å; Y566-F641 AromaticContact CD2-CE2 3.72Å; Y566-F641 HydrophobicContact CD2-CE2 3.72Å; Y566-F641 AromaticContact CD2-CZ 3.76Å; Y566-F641 HydrophobicContact CD2-CZ 3.76Å; Y566-F641 HydrophobicContact CG-CE2 4.41Å; Y566-F641 HydrophobicContact CG-CZ 4.17Å; Y566-F641 PolarHBondContact N-O 3.37Å; Y566-F641 PolarHBondContact O-N 2.92Å; Y566-F641 VanDerWaalsContact O-O 3.11Å; F568-F641 HydrophobicContact CD2-CE1 4.1Å; F568-F641 AromaticContact CE2-CE1 3.86Å; F568-F641 HydrophobicContact CE2-CE1 3.86Å; F568-F641 HydrophobicContact CE2-CZ 4.09Å; I615-F641 HydrophobicContact CD1-CZ 4.1Å; W620-F641 HydrophobicContact CB-CB 3.94Å; W620-F641 HydrophobicContact CB-CD2 3.4Å; W620-F641 HydrophobicContact CB-CE2 4.17Å; W620-F641 HydrophobicContact CB-CG 3.95Å; W620-F641 HydrophobicContact CD2-CB 4.47Å; W620-F641 HydrophobicContact CD2-CD1 4.34Å; W620-F641 AromaticContact CD2-CD2 3.65Å; W620-F641 HydrophobicContact CD2-CD2 3.65Å; W620-F641 AromaticContact CD2-CE2 3.82Å; W620-F641 HydrophobicContact CD2-CE2 3.82Å; W620-F641 AromaticContact CD2-CG 3.91Å; W620-F641 HydrophobicContact CD2-CG 3.91Å; W620-F641 HydrophobicContact CD2-CZ 4.25Å; W620-F641 AromaticContact CE3-CD2 3.72Å; W620-F641 HydrophobicContact CE3-CD2 3.72Å; W620-F641 HydrophobicContact CE3-CE1 4.37Å; W620-F641 AromaticContact CE3-CE2 3.38Å; W620-F641 HydrophobicContact CE3-CE2 3.38Å; W620-F641 HydrophobicContact CE3-CG 4.33Å; W620-F641 AromaticContact CE3-CZ 3.74Å; W620-F641 HydrophobicContact CE3-CZ 3.74Å; W620-F641 HydrophobicContact CG-CB 3.85Å; W620-F641 AromaticContact CG-CD2 3.55Å; W620-F641 HydrophobicContact CG-CD2 3.55Å; W620-F641 HydrophobicContact CG-CE2 4.19Å; W620-F641 AromaticContact CG-CG 3.76Å; W620-F641 HydrophobicContact CG-CG 3.76Å; W620-F641 HydrophobicContact CH2-CE1 4.46Å; W620-F641 HydrophobicContact CH2-CZ 4.32Å; W620-F641 HydrophobicContact CZ3-CE1 4.34Å; W620-F641 AromaticContact CZ3-CE2 3.91Å; W620-F641 HydrophobicContact CZ3-CE2 3.91Å; W620-F641 AromaticContact CZ3-CZ 3.78Å; W620-F641 HydrophobicContact CZ3-CZ 3.78Å; Y628-F641 HydrophobicContact CD2-CB 3.99Å; Y628-F641 HydrophobicContact CE2-CB 4.45Å; L639-F641 HydrophobicContact CD1-CD1 4.32Å; L639-F641 HydrophobicContact CD2-CD1 4.43Å; L639-F641 HydrophobicContact CD2-CE1 4.19Å; L639-F641 HydrophobicContact CG-CD1 4.03Å; L639-F641 HydrophobicContact CG-CE1 4.24Å; F641-F643 HydrophobicContact CE2-CD1 4.42Å; F641-F643 AromaticContact CE2-CE1 3.9Å; F641-F643 HydrophobicContact CE2-CE1 3.9Å; F641-F643 HydrophobicContact CE2-CZ 4.21Å
642	Q	93.1	Very high	81.5	Confident	70 Å²	70	87 Å²	87	33%	0.327	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.6	170.8	-67.5	-174.6	-13	0	0	109.1	Q564 W620 E621	Q564-Q642 CarbonylContact O-C 3.47Å; W620-Q642 CarbonylContact C-O 3.49Å; W620-Q642 VanDerWaalsContact CA-O 3.24Å; W620-Q642 WeakPolarHBondContact CA-O 3.24Å; W620-Q642 VanDerWaalsContact CB-O 3.24Å; W620-Q642 WeakPolarHBondContact CB-O 3.31Å; E621-Q642 PolarHBondContact N-O 3.25Å
643	F	93.4	Very high	81	Confident	5 Å²	5	88.7 Å²	88.7	2%	0.022	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-60.3	141.2	173.1	-68.7	-52.4	0	0	0	111	V563 Q564 Y566 V616 R618 E619 W620 F641 K645	V563-F643 HydrophobicContact CB-CE2 4.34Å; V563-F643 HydrophobicContact CG1-CD2 4.34Å; V563-F643 HydrophobicContact CG1-CE2 3.81Å; V563-F643 WeakPolarHBondContact O-CD2 3.26Å; Q564-F643 WeakPolarHBondContact O-CB 3.46Å; Q564-F643 PolarHBondContact O-N 3.06Å; Y566-F643 HydrophobicContact CD2-CE2 4.04Å; Y566-F643 AromaticContact CD2-CZ 3.9Å; Y566-F643 HydrophobicContact CD2-CZ 3.9Å; Y566-F643 AromaticContact CE2-CE2 3.6Å; Y566-F643 HydrophobicContact CE2-CE2 3.6Å; Y566-F643 AromaticContact CE2-CZ 3.53Å; Y566-F643 HydrophobicContact CE2-CZ 3.53Å; V616-F643 HydrophobicContact CB-CE2 3.98Å; V616-F643 HydrophobicContact CB-CZ 3.89Å; V616-F643 HydrophobicContact CG1-CE2 4.48Å; V616-F643 HydrophobicContact CG1-CZ 4.46Å; V616-F643 VanDerWaalsContact O-CZ 3.26Å; V616-F643 WeakPolarHBondContact O-CZ 3.45Å; R618-F643 HydrophobicContact CB-CD1 3.62Å; R618-F643 HydrophobicContact CB-CE1 3.71Å; R618-F643 HydrophobicContact CB-CG 4.1Å; R618-F643 HydrophobicContact CB-CZ 4.22Å; R618-F643 HydrophobicContact CG-CB 4.32Å; R618-F643 HydrophobicContact CG-CD1 4.04Å; R618-F643 HydrophobicContact CG-CG 4.23Å; R618-F643 WeakPolarHBondContact O-CD1 3.33Å; R618-F643 WeakPolarHBondContact O-CE1 3.11Å; E619-F643 WeakPolarHBondContact O-CA 3.38Å; W620-F643 HydrophobicContact CB-CD1 4.14Å; W620-F643 HydrophobicContact CE3-CE1 4.07Å; F641-F643 HydrophobicContact CE2-CD1 4.42Å; F641-F643 AromaticContact CE2-CE1 3.9Å; F641-F643 HydrophobicContact CE2-CE1 3.9Å; F641-F643 HydrophobicContact CE2-CZ 4.21Å; F643-K645 PolarHBondContact O-N 2.85Å
644	K	89.5	Confident	81	Confident	77 Å²	77	87.2 Å²	87.2	34%	0.335	37%	0.365	S	S	.	.			trans	-60.8	129.8	173.6	-68.5	-177.6	-171.9	168.3	0	108.6	E619 W620 E621 Y646	E619-K644 HydrophobicContact CB-CD 3.92Å; E619-K644 HydrophobicContact CB-CG 4.38Å; E619-K644 PolarHBondContact O-N 2.89Å; E619-K644 WeakPolarHBondContact OE2-CD 3.46Å; E619-K644 IonicContact OE2-NZ 3.13Å; E619-K644 PolarHBondContact OE2-NZ 3.44Å; W620-K644 VanDerWaalsContact O-CE 3.27Å; W620-K644 WeakPolarHBondContact O-CE 3.34Å; E621-K644 HydrophobicContact CG-CB 4.44Å; E621-K644 HydrophobicContact CG-CG 3.72Å; K644-Y646 PolarHBondContact O-N 3.32Å
645	K	82.3	Confident	81	Confident	138 Å²	138	82.8 Å²	82.8	60%	0.6	34%	0.335	S	S	*	.			trans	-79.4	100.6	168.8	-64.6	-174.7	-179.2	-175.3	0	107.7	F643 R647	F643-K645 PolarHBondContact O-N 2.85Å; K645-R647 PolarHBondContact O-N 3.32Å
646	Y	74.3	Confident	80.9	Confident	124 Å²	124	87.3 Å²	87.3	49%	0.486	35%	0.348	S	S	.	.			trans	-66.6	100.9	171.3	-64.4	-77.3	0	0	0	108.7	R618 E619 K644 Y648	R618-Y646 HydrophobicContact CG-CE2 4Å; E619-Y646 WeakPolarHBondContact CB-OH 3.43Å; E619-Y646 VanDerWaalsContact CD-OH 3.32Å; E619-Y646 VanDerWaalsContact CG-OH 3.31Å; E619-Y646 WeakPolarHBondContact CG-OH 3.29Å; E619-Y646 PolarHBondContact OE2-OH 2.95Å; K644-Y646 PolarHBondContact O-N 3.32Å; Y646-Y648 PolarHBondContact O-N 3.31Å
647	R	66.1	Low	80.4	Confident	170 Å²	170	92.5 Å²	92.5	64%	0.642	37%	0.367	S	S	*	.			trans	-78.2	109.4	160.2	-68.2	-174.3	-178.6	-176	-2.5	106	Y119 K645 R649	Y119-R647 VanDerWaalsContact OH-CZ 3.3Å; Y119-R647 PolarHBondContact OH-NE 2.97Å; Y119-R647 PolarHBondContact OH-NH1 3.46Å; K645-R647 PolarHBondContact O-N 3.32Å; R647-R649 PolarHBondContact O-N 3.37Å
648	Y	55.6	Low	79.4	Confident	216 Å²	216	99.2 Å²	99.2	85%	0.847	39%	0.393	S	S	*	.			trans	-55.9	104.3	166.4	-83.7	-85.9	0	0	0	107.8	Y646 R650	Y646-Y648 PolarHBondContact O-N 3.31Å; Y648-R650 PolarHBondContact O-N 3.29Å
649	R	53.5	Low	78.3	Confident	216 Å²	216	107.2 Å²	107.2	82%	0.815	43%	0.425	S	S	*	.			trans	-71.8	117.8	162.7	-84.4	-175.5	178.6	179.3	-1	105.4	V116 R647	V116-R649 HydrophobicContact CG1-CB 3.55Å; V116-R649 HydrophobicContact CG1-CG 4.03Å; V116-R649 WeakPolarHBondContact O-CA 3.21Å; R647-R649 PolarHBondContact O-N 3.37Å
650	R	46.7	Very low	76.7	Confident	207 Å²	207	116.9 Å²	116.9	78%	0.781	46%	0.463	S	S	*	.			trans	-59.7	0	178.5	-115.4	-177.3	-163.4	-158.7	3.5	114.4	V116 Y648	V116-R650 HydrophobicContact CB-CB 4.28Å; V116-R650 WeakPolarHBondContact CB-O 3.41Å; V116-R650 WeakPolarHBondContact CG1-O 3.33Å; V116-R650 VanDerWaalsContact CG2-C 3.45Å; V116-R650 HydrophobicContact CG2-CB 4.03Å; V116-R650 WeakPolarHBondContact CG2-O 3.02Å; V116-R650 PolarHBondContact O-N 3.4Å; Y648-R650 PolarHBondContact O-N 3.29Å

Retrieved 650 of 650 residues in 590.1 ms (Link to these results)

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