A0A077ZHE9_TRITR Loading...

Eukaryotic elongation factor 2 kinase

AlphaFold DB , UniProt , Accession A0A077ZHE9, 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	30.5	Very low	27.1	Very low	245 Å²	245	159.4 Å²	159.4	100%	1.207	84%	0.842	S	S	*	*				0	127.3	0	-141	176.4	-163.7	0	0	107.4
2	K	30.2	Very low	26.9	Very low	208 Å²	208	158 Å²	158	90%	0.904	85%	0.845	S	S	*	*			trans	68.4	99.3	178.6	-79.9	-177.4	174.3	179.5	0	119.7
3	V	24.5	Very low	27.1	Very low	131 Å²	131	151.9 Å²	151.9	79%	0.794	84%	0.843	S	S	*	*			trans	-39.9	143.2	136.6	176	0	0	0	0	112.1
4	V	25.7	Very low	26.7	Very low	116 Å²	116	154.4 Å²	154.4	70%	0.703	85%	0.848	S	S	*	*			trans	178.3	150.2	133.3	173.5	0	0	0	0	109.5
5	L	27.8	Very low	26.8	Very low	164 Å²	164	154.1 Å²	154.1	86%	0.859	85%	0.853	S	S	*	*			trans	115.4	126.9	158	-58.9	173.2	0	0	0	113.4
6	G	28.7	Very low	26.6	Very low	67 Å²	67	151.1 Å²	151.1	69%	0.691	85%	0.846	S	S	*	*			cis	-155	147.6	4.7	0	0	0	0	0	108.8
7	W	21.9	Very low	26.7	Very low	224 Å²	224	153.4 Å²	153.4	85%	0.848	84%	0.844	S	S	*	*				75.5	116.5	74.2	-79.4	59.5	0	0	0	116.1
8	D	23.5	Very low	26.6	Very low	119 Å²	119	151.2 Å²	151.2	64%	0.636	84%	0.836	S	S	*	*			trans	65.2	121	145.9	-74.7	-17	0	0	0	122.6
9	Q	30.9	Very low	26.6	Very low	196 Å²	196	150.8 Å²	150.8	92%	0.916	83%	0.832	S	S	*	*				-161.9	132	97.1	-106.8	173.2	1.1	0	0	113.1
10	Q	22.9	Very low	26.6	Very low	177 Å²	177	151.7 Å²	151.7	83%	0.827	83%	0.83	S	S	*	*			trans	-74.6	143.3	172.2	-66	169.6	-30.5	0	0	111.2
11	A	31.9	Very low	26.6	Very low	106 Å²	106	150.9 Å²	150.9	88%	0.876	83%	0.83	S	S	*	*			trans	-144.2	119.6	149.6	0	0	0	0	0	109.3
12	T	24.1	Very low	26.5	Very low	143 Å²	143	147.2 Å²	147.2	88%	0.877	81%	0.807	S	S	*	*			trans	-80.3	144.9	-179.3	46.7	0	0	0	0	112.2
13	G	29.9	Very low	26.2	Very low	79 Å²	79	144.9 Å²	144.9	81%	0.814	80%	0.804	S	S	*	*			trans	179.6	94.5	167.2	0	0	0	0	0	113.4
14	M	21.8	Very low	26.4	Very low	186 Å²	186	146.6 Å²	146.6	92%	0.916	80%	0.803	S	S	*	*			trans	-70.6	138	165.7	-71.3	156	91.1	0	0	110.4
15	T	28.2	Very low	26.6	Very low	151 Å²	151	146.4 Å²	146.4	93%	0.926	80%	0.804	S	S	*	*				-175.3	153.2	117.9	43.2	0	0	0	0	110.5
16	S	23.4	Very low	26.5	Very low	105 Å²	105	147.9 Å²	147.9	73%	0.734	80%	0.804	S	S	*	*			trans	-103.9	159	-167.3	50.1	0	0	0	0	112.4
17	K	28.4	Very low	26.8	Very low	190 Å²	190	150.1 Å²	150.1	83%	0.826	81%	0.806	S	S	*	*			trans	112.9	105.4	147.4	-72.5	-169.5	172.7	-178.5	0	118.9
18	V	25.5	Very low	27.2	Very low	114 Å²	114	145.5 Å²	145.5	69%	0.691	79%	0.794	S	S	*	*				81.6	90.9	127.1	-170.5	0	0	0	0	117.6
19	D	25	Very low	27.4	Very low	144 Å²	144	148.2 Å²	148.2	77%	0.77	81%	0.808	S	S	*	*				46.9	88.8	116	-49.9	-30.7	0	0	0	119.1
20	E	27.3	Very low	27.3	Very low	169 Å²	169	145.8 Å²	145.8	79%	0.79	80%	0.797	S	S	*	*			trans	-110	114.1	145.6	-90.7	-174.4	164.5	0	0	109.2	F22	E20-F22 PolarHBondContact O-N 2.96Å
21	V	26.5	Very low	27.7	Very low	135 Å²	135	146.4 Å²	146.4	82%	0.818	80%	0.8	S	S	*	*			trans	-74.4	96.7	179.3	177.4	0	0	0	0	108.8
22	F	28.1	Very low	27.6	Very low	167 Å²	167	149.3 Å²	149.3	73%	0.732	80%	0.8	S	S	*	*			trans	-99.3	114	164.6	-89.1	-84	0	0	0	110.5	E20 H24	E20-F22 PolarHBondContact O-N 2.96Å; F22-H24 PolarHBondContact O-N 2.97Å
23	L	24.5	Very low	27.7	Very low	159 Å²	159	147.3 Å²	147.3	83%	0.832	80%	0.798	S	S	*	*			trans	-60	113.3	168.5	-74.6	150.2	0	0	0	110.5
24	H	28.5	Very low	27.8	Very low	168 Å²	168	149.7 Å²	149.7	78%	0.778	80%	0.796	S	S	*	*			trans	-136.3	150.5	159.9	-86.6	-68.2	0	0	0	110.2	F22	F22-H24 PolarHBondContact O-N 2.97Å
25	P	30.4	Very low	28	Very low	112 Å²	112	145.2 Å²	145.2	73%	0.727	78%	0.784	S	S	*	*			trans	-86.2	148.7	-142.5	32.3	-33.6	0	0	0	114
26	F	26.3	Very low	28.1	Very low	194 Å²	194	147.8 Å²	147.8	85%	0.851	78%	0.782	S	S	*	*			trans	-51.9	127.1	176.2	-81.5	-94.9	0	0	0	112.8
27	P	34	Very low	28.4	Very low	115 Å²	115	151.6 Å²	151.6	75%	0.747	79%	0.785	S	S	*	*			trans	-95.9	107.8	161.5	32.9	-21.9	0	0	0	108.2
28	H	29.7	Very low	28.6	Very low	127 Å²	127	148.4 Å²	148.4	59%	0.588	78%	0.784	S	S	*	*			trans	-149.3	71.7	170	-101.2	-79.8	0	0	0	111.2	Q30	H28-Q30 PolarHBondContact CE1-OE1 3.36Å; H28-Q30 PolarHBondContact ND1-OE1 3.47Å; H28-Q30 PolarHBondContact O-N 3.42Å
29	D	29.2	Very low	28.9	Very low	175 Å²	175	148.4 Å²	148.4	94%	0.936	79%	0.788	S	S	*	*			trans	-78.4	80.4	142.3	-76.7	-33.3	0	0	0	107.1
30	Q	28.6	Very low	29.4	Very low	145 Å²	145	146.7 Å²	146.7	68%	0.678	79%	0.787	S	S	*	*			trans	-113.5	100.9	161.1	-82.7	-172.8	-10.3	0	0	107.5	H28 L32	H28-Q30 PolarHBondContact CE1-OE1 3.36Å; H28-Q30 PolarHBondContact ND1-OE1 3.47Å; H28-Q30 PolarHBondContact O-N 3.42Å; Q30-L32 PolarHBondContact O-N 3.34Å; Q30-L32 VanDerWaalsContact O-N 3.17Å
31	E	30.8	Very low	30.1	Very low	190 Å²	190	145.6 Å²	145.6	89%	0.888	79%	0.787	S	S	*	*			trans	-41.9	120.1	165.6	-79.4	179.3	135.8	0	0	109.6	A33	E31-A33 PolarHBondContact O-N 3.43Å
32	L	29.1	Very low	30.9	Very low	167 Å²	167	148.7 Å²	148.7	87%	0.874	79%	0.792	S	S	*	*			trans	-52.6	100.6	172	-89.8	138.8	0	0	0	109.5	Q30 V34	Q30-L32 PolarHBondContact O-N 3.34Å; Q30-L32 VanDerWaalsContact O-N 3.17Å; L32-V34 VanDerWaalsContact C-N 3.33Å; L32-V34 PolarHBondContact O-N 3Å
33	A	26.6	Very low	31.9	Very low	102 Å²	102	142.6 Å²	142.6	84%	0.843	77%	0.773	S	S	*	*			trans	-68	90.4	173	0	0	0	0	0	109.4	E31 S35	E31-A33 PolarHBondContact O-N 3.43Å; A33-S35 PolarHBondContact O-N 2.9Å
34	V	31.5	Very low	33.4	Very low	128 Å²	128	138.6 Å²	138.6	78%	0.776	76%	0.759	S	S	*	*			trans	-64.3	118.8	168.2	179.9	0	0	0	0	108.1	L32 K36	L32-V34 VanDerWaalsContact C-N 3.33Å; L32-V34 PolarHBondContact O-N 3Å; V34-K36 PolarHBondContact O-N 2.92Å
35	S	27.7	Very low	35.5	Very low	93 Å²	93	134.5 Å²	134.5	65%	0.65	75%	0.749	S	S	*	*			trans	-60.7	119.9	-179.3	47	0	0	0	0	111	A33 F37	A33-S35 PolarHBondContact O-N 2.9Å; S35-F37 PolarHBondContact O-N 3.38Å
36	K	28.8	Very low	37.6	Very low	205 Å²	205	134.8 Å²	134.8	89%	0.891	74%	0.744	S	S	*	*			trans	-75.4	98.2	175.7	-69	176.7	179.7	173.3	0	109.5	V34	V34-K36 PolarHBondContact O-N 2.92Å
37	F	29.5	Very low	40.2	Very low	184 Å²	184	127.9 Å²	127.9	81%	0.807	72%	0.716	S	S	*	*			trans	-78.9	131.6	155.5	-83.1	-83.4	0	0	0	109.1	S35 C39	S35-F37 PolarHBondContact O-N 3.38Å; F37-C39 PolarHBondContact O-N 3.19Å
38	P	33.1	Very low	42.5	Very low	123 Å²	123	129.4 Å²	129.4	80%	0.799	71%	0.711	S	S	*	*			trans	-79.2	91.7	-175.9	31	-31	0	0	0	109.3	S40	P38-S40 PolarHBondContact O-N 2.92Å
39	C	32.4	Very low	45.1	Very low	115 Å²	115	129.7 Å²	129.7	78%	0.777	71%	0.71	S	S	*	*			trans	-88.8	101.4	164.2	-152.7	0	0	0	0	108	F37 N41	F37-C39 PolarHBondContact O-N 3.19Å; C39-N41 PolarHBondContact O-N 3.27Å; C39-N41 VanDerWaalsContact O-N 3.12Å
40	S	34.4	Very low	47.6	Very low	108 Å²	108	125.9 Å²	125.9	76%	0.755	69%	0.69	S	S	*	*			trans	-66.8	99.5	168.9	51.1	0	0	0	0	109.2	P38	P38-S40 PolarHBondContact O-N 2.92Å
41	N	42.8	Very low	50.4	Low	146 Å²	146	123.9 Å²	123.9	78%	0.781	68%	0.679	S	S	*	*			trans	-151.5	111.2	155.4	-91.8	-27.7	0	0	0	106.8	C39 A43	C39-N41 PolarHBondContact O-N 3.27Å; C39-N41 VanDerWaalsContact O-N 3.12Å; N41-A43 PolarHBondContact O-N 3.08Å
42	E	43.6	Very low	53.2	Low	199 Å²	199	117.1 Å²	117.1	93%	0.93	66%	0.655	S	S	*	*			trans	-55.6	111.4	175.8	-70	-171.8	152.1	0	0	109.1	S44	E42-S44 PolarHBondContact O-N 3.38Å
43	A	48.3	Very low	55.9	Low	40 Å²	40	115.8 Å²	115.8	33%	0.331	64%	0.642	S	S	.	*			trans	-54.2	115.4	175.5	0	0	0	0	0	109.2	N41 D47	N41-A43 PolarHBondContact O-N 3.08Å; A43-D47 HydrophobicContact CB-CB 4.17Å; A43-D47 WeakPolarHBondContact CB-OD2 3.49Å
44	S	56.9	Low	58.9	Low	75 Å²	75	119 Å²	119	52%	0.524	63%	0.633	S	S	.	*			trans	-53.6	153.6	-179.5	81.6	0	0	0	0	110.5	E42 N46 D47 K48	E42-S44 PolarHBondContact O-N 3.38Å; S44-N46 PolarHBondContact O-N 3.14Å; S44-D47 PolarHBondContact O-N 3.33Å; S44-K48 PolarHBondContact O-N 2.91Å
45	S	72.4	Confident	61.5	Low	82 Å²	82	121.7 Å²	121.7	57%	0.573	63%	0.629	S	S	*	*	H	α-helix	trans	-52.4	-25.2	-179.9	178.7	0	0	0	0	113.5	K49	S45-K49 WeakPolarHBondContact O-CG 3.33Å; S45-K49 PolarHBondContact O-N 3.26Å
46	N	74.4	Confident	64.3	Low	117 Å²	117	123.5 Å²	123.5	63%	0.626	63%	0.627	S	S	*	*	H	α-helix	trans	-71.6	-38.9	175.2	-84.5	-8.9	0	0	0	112.7	S44 K48 K49 L50	S44-N46 PolarHBondContact O-N 3.14Å; N46-K48 PolarHBondContact O-N 3.09Å; N46-K49 PolarHBondContact O-N 3.26Å; N46-L50 WeakPolarHBondContact O-CB 3.41Å; N46-L50 PolarHBondContact O-N 3.49Å
47	D	79.6	Confident	66.8	Low	49 Å²	49	118.6 Å²	118.6	26%	0.262	61%	0.61	S	S	.	*	H	α-helix	trans	-65.5	-39.8	179.3	-175.9	39.6	0	0	0	111.6	A43 S44 K49 L50 K51	A43-D47 HydrophobicContact CB-CB 4.17Å; A43-D47 WeakPolarHBondContact CB-OD2 3.49Å; S44-D47 PolarHBondContact O-N 3.33Å; D47-K49 PolarHBondContact O-N 3.48Å; D47-L50 PolarHBondContact O-N 3.07Å; D47-K51 WeakPolarHBondContact O-CB 3.49Å; D47-K51 WeakPolarHBondContact O-CG 3.35Å; D47-K51 PolarHBondContact O-N 3.27Å; D47-K51 IonicContact OD1-NZ 3.77Å; D47-K51 WeakPolarHBondContact OD2-CE 3.35Å; D47-K51 IonicContact OD2-NZ 2.73Å; D47-K51 PolarHBondContact OD2-NZ 3.31Å
48	K	82.3	Confident	69.3	Low	148 Å²	148	114.8 Å²	114.8	64%	0.643	60%	0.598	S	S	*	*	H	α-helix	trans	-61.2	-43.8	173.6	-67.9	-176.2	-175.9	175.3	0	112.3	S44 N46 A52	S44-K48 PolarHBondContact O-N 2.91Å; N46-K48 PolarHBondContact O-N 3.09Å; K48-A52 WeakPolarHBondContact O-CB 3.47Å; K48-A52 PolarHBondContact O-N 3.09Å
49	K	84.2	Confident	71.8	Confident	132 Å²	132	115.7 Å²	115.7	57%	0.574	59%	0.589	S	S	*	*	H	α-helix	trans	-64.5	-40.9	176.1	-74.8	177.7	-179.4	175.1	0	111.6	S45 N46 D47 A52 K53	S45-K49 WeakPolarHBondContact O-CG 3.33Å; S45-K49 PolarHBondContact O-N 3.26Å; N46-K49 PolarHBondContact O-N 3.26Å; D47-K49 PolarHBondContact O-N 3.48Å; K49-A52 PolarHBondContact O-N 3.4Å; K49-K53 WeakPolarHBondContact O-CG 3.32Å; K49-K53 PolarHBondContact O-N 3.25Å
50	L	83.5	Confident	74.1	Confident	95 Å²	95	117.4 Å²	117.4	50%	0.497	58%	0.583	S	S	.	*	H	α-helix	trans	-64.9	-48.2	178.5	-165.6	72.7	0	0	0	111.1	N46 D47 A52 K53 W54	N46-L50 WeakPolarHBondContact O-CB 3.41Å; N46-L50 PolarHBondContact O-N 3.49Å; D47-L50 PolarHBondContact O-N 3.07Å; L50-A52 VanDerWaalsContact C-N 3.33Å; L50-A52 PolarHBondContact O-N 3.04Å; L50-K53 WeakPolarHBondContact O-CB 3.1Å; L50-K53 PolarHBondContact O-N 2.97Å; L50-W54 PolarHBondContact O-N 3.04Å
51	K	87.6	Confident	76.1	Confident	103 Å²	103	116.4 Å²	116.4	45%	0.448	57%	0.573	S	S	.	*	H	α-helix	trans	-58.7	-41.7	174.9	-77.5	171.9	176	159	0	112.6	D47 W54 R55	D47-K51 WeakPolarHBondContact O-CB 3.49Å; D47-K51 WeakPolarHBondContact O-CG 3.35Å; D47-K51 PolarHBondContact O-N 3.27Å; D47-K51 IonicContact OD1-NZ 3.77Å; D47-K51 WeakPolarHBondContact OD2-CE 3.35Å; D47-K51 IonicContact OD2-NZ 2.73Å; D47-K51 PolarHBondContact OD2-NZ 3.31Å; K51-W54 PolarHBondContact O-N 3.47Å; K51-R55 WeakPolarHBondContact O-CG 3.45Å; K51-R55 PolarHBondContact O-N 2.91Å
52	A	88.4	Confident	77.8	Confident	48 Å²	48	115.7 Å²	115.7	40%	0.397	57%	0.568	S	S	.	*	H	α-helix	trans	-62.8	-42.9	176.1	0	0	0	0	0	112	K48 K49 L50 R55 Q56	K48-A52 WeakPolarHBondContact O-CB 3.47Å; K48-A52 PolarHBondContact O-N 3.09Å; K49-A52 PolarHBondContact O-N 3.4Å; L50-A52 VanDerWaalsContact C-N 3.33Å; L50-A52 PolarHBondContact O-N 3.04Å; A52-R55 PolarHBondContact O-N 3.16Å; A52-Q56 WeakPolarHBondContact O-CG 3.46Å; A52-Q56 PolarHBondContact O-N 2.93Å
53	K	86.3	Confident	79.4	Confident	139 Å²	139	112 Å²	112	60%	0.604	56%	0.555	S	S	*	*	H	α-helix	trans	-61.3	-44.9	173.6	-76.4	-177.4	176.7	-175.4	0	112	K49 L50 R55 Q56 L57	K49-K53 WeakPolarHBondContact O-CG 3.32Å; K49-K53 PolarHBondContact O-N 3.25Å; L50-K53 WeakPolarHBondContact O-CB 3.1Å; L50-K53 PolarHBondContact O-N 2.97Å; K53-R55 PolarHBondContact O-N 3.46Å; K53-Q56 PolarHBondContact O-N 3.13Å; K53-L57 PolarHBondContact O-N 2.82Å
54	W	88.3	Confident	80.5	Confident	169 Å²	169	115.3 Å²	115.3	64%	0.64	57%	0.566	S	S	*	*	H	α-helix	trans	-60.5	-42.6	176.6	-82.6	112.4	0	0	0	112.7	L50 K51 Q56 L57 L58	L50-W54 PolarHBondContact O-N 3.04Å; K51-W54 PolarHBondContact O-N 3.47Å; W54-Q56 PolarHBondContact O-N 3.39Å; W54-L57 PolarHBondContact O-N 2.79Å; W54-L58 WeakPolarHBondContact O-CB 3.33Å; W54-L58 PolarHBondContact O-N 3.04Å
55	R	87.6	Confident	81.5	Confident	186 Å²	186	115.2 Å²	115.2	70%	0.702	57%	0.565	S	S	*	*	H	α-helix	trans	-63	-41.5	175.1	-70.6	178.2	-166.2	174.7	2.2	112.4	K51 A52 K53 L57 L58 K59	K51-R55 WeakPolarHBondContact O-CG 3.45Å; K51-R55 PolarHBondContact O-N 2.91Å; A52-R55 PolarHBondContact O-N 3.16Å; K53-R55 PolarHBondContact O-N 3.46Å; R55-L57 VanDerWaalsContact C-N 3.35Å; R55-L58 PolarHBondContact O-N 3.12Å; R55-K59 WeakPolarHBondContact O-CB 3.25Å; R55-K59 PolarHBondContact O-N 3.32Å
56	Q	86.1	Confident	81.9	Confident	131 Å²	131	113 Å²	113	61%	0.612	55%	0.547	S	S	*	.	H	α-helix	trans	-64.4	-40.7	175.5	-75.1	-179.8	-9.5	0	0	111.8	A52 K53 W54 K60	A52-Q56 WeakPolarHBondContact O-CG 3.46Å; A52-Q56 PolarHBondContact O-N 2.93Å; K53-Q56 PolarHBondContact O-N 3.13Å; W54-Q56 PolarHBondContact O-N 3.39Å; Q56-K60 WeakPolarHBondContact O-CG 3.3Å; Q56-K60 PolarHBondContact O-N 3.46Å
57	L	81	Confident	82.2	Confident	101 Å²	101	110.4 Å²	110.4	53%	0.529	54%	0.536	S	S	.	.	H	α-helix	trans	-63.5	-48.8	175	-118.3	121.8	0	0	0	111.2	K53 W54 R55 K59 K60 V61	K53-L57 PolarHBondContact O-N 2.82Å; W54-L57 PolarHBondContact O-N 2.79Å; R55-L57 VanDerWaalsContact C-N 3.35Å; L57-K59 VanDerWaalsContact C-N 3.32Å; L57-K59 PolarHBondContact O-N 2.91Å; L57-K60 WeakPolarHBondContact O-CB 3.37Å; L57-K60 PolarHBondContact O-N 2.9Å; L57-K60 VanDerWaalsContact O-N 3.12Å; L57-V61 WeakPolarHBondContact O-CG2 2.92Å; L57-V61 PolarHBondContact O-N 2.68Å
58	L	83.2	Confident	82.4	Confident	105 Å²	105	108.8 Å²	108.8	55%	0.55	53%	0.526	S	S	.	.	H	α-helix	trans	-58	-45	178.1	-178.1	64.9	0	0	0	111.2	W54 R55 K60 V61 L62	W54-L58 WeakPolarHBondContact O-CB 3.33Å; W54-L58 PolarHBondContact O-N 3.04Å; R55-L58 PolarHBondContact O-N 3.12Å; L58-K60 VanDerWaalsContact C-N 3.34Å; L58-K60 PolarHBondContact O-N 3.43Å; L58-V61 PolarHBondContact O-N 3.24Å; L58-L62 HydrophobicContact CD1-CD1 4.24Å; L58-L62 HydrophobicContact CD1-CG 4.25Å; L58-L62 HydrophobicContact CG-CD1 3.99Å; L58-L62 HydrophobicContact CG-CG 4.4Å; L58-L62 WeakPolarHBondContact O-CB 3.43Å; L58-L62 VanDerWaalsContact O-CG 3.31Å; L58-L62 WeakPolarHBondContact O-CG 3.38Å; L58-L62 PolarHBondContact O-N 3.17Å
59	K	84.2	Confident	82.3	Confident	141 Å²	141	107.5 Å²	107.5	61%	0.613	52%	0.523	S	S	*	.	H	α-helix	trans	-59	-46.1	175.6	-173.5	176.9	179.4	179.1	0	111.6	R55 L57 V61 L62 D63	R55-K59 WeakPolarHBondContact O-CB 3.25Å; R55-K59 PolarHBondContact O-N 3.32Å; L57-K59 VanDerWaalsContact C-N 3.32Å; L57-K59 PolarHBondContact O-N 2.91Å; K59-V61 VanDerWaalsContact C-N 3.34Å; K59-V61 PolarHBondContact O-N 2.77Å; K59-L62 PolarHBondContact O-N 3.39Å; K59-D63 WeakPolarHBondContact O-CB 3.46Å; K59-D63 VanDerWaalsContact O-CG 3.27Å; K59-D63 PolarHBondContact O-N 3.39Å
60	K	80.9	Confident	82.1	Confident	151 Å²	151	107.9 Å²	107.9	66%	0.657	53%	0.531	S	S	*	.	H	α-helix	trans	-61.4	-41.4	176.1	-74.9	-178.2	176.4	-170.2	0	112.4	Q56 L57 L58 D63 I64	Q56-K60 WeakPolarHBondContact O-CG 3.3Å; Q56-K60 PolarHBondContact O-N 3.46Å; L57-K60 WeakPolarHBondContact O-CB 3.37Å; L57-K60 PolarHBondContact O-N 2.9Å; L57-K60 VanDerWaalsContact O-N 3.12Å; L58-K60 VanDerWaalsContact C-N 3.34Å; L58-K60 PolarHBondContact O-N 3.43Å; K60-D63 PolarHBondContact O-N 3.29Å; K60-I64 WeakPolarHBondContact O-CG1 3.46Å; K60-I64 PolarHBondContact O-N 2.77Å
61	V	77.4	Confident	81.8	Confident	88 Å²	88	107.1 Å²	107.1	53%	0.533	53%	0.526	S	S	.	.	H	α-helix	trans	-67.2	-41.4	-180	171.2	0	0	0	0	111.3	L57 L58 K59 D63 I64	L57-V61 WeakPolarHBondContact O-CG2 2.92Å; L57-V61 PolarHBondContact O-N 2.68Å; L58-V61 PolarHBondContact O-N 3.24Å; K59-V61 VanDerWaalsContact C-N 3.34Å; K59-V61 PolarHBondContact O-N 2.77Å; V61-D63 VanDerWaalsContact C-N 3.25Å; V61-D63 PolarHBondContact O-N 3.14Å; V61-I64 PolarHBondContact O-N 3.25Å
62	L	76.8	Confident	81.4	Confident	131 Å²	131	111 Å²	111	69%	0.686	54%	0.538	S	S	*	.	H	α-helix	trans	-67.7	-26	175.9	-69	172.9	0	0	0	112.8	L58 K59	L58-L62 HydrophobicContact CD1-CD1 4.24Å; L58-L62 HydrophobicContact CD1-CG 4.25Å; L58-L62 HydrophobicContact CG-CD1 3.99Å; L58-L62 HydrophobicContact CG-CG 4.4Å; L58-L62 WeakPolarHBondContact O-CB 3.43Å; L58-L62 VanDerWaalsContact O-CG 3.31Å; L58-L62 WeakPolarHBondContact O-CG 3.38Å; L58-L62 PolarHBondContact O-N 3.17Å; K59-L62 PolarHBondContact O-N 3.39Å
63	D	77.9	Confident	81	Confident	122 Å²	122	108.8 Å²	108.8	65%	0.652	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-9.4	176.3	-72.4	-16.5	0	0	0	113.1	K59 K60 V61 S65	K59-D63 WeakPolarHBondContact O-CB 3.46Å; K59-D63 VanDerWaalsContact O-CG 3.27Å; K59-D63 PolarHBondContact O-N 3.39Å; K60-D63 PolarHBondContact O-N 3.29Å; V61-D63 VanDerWaalsContact C-N 3.25Å; V61-D63 PolarHBondContact O-N 3.14Å; D63-S65 PolarHBondContact O-N 2.91Å
64	I	72.2	Confident	80.5	Confident	109 Å²	109	105.3 Å²	105.3	56%	0.559	51%	0.513	S	S	*	.			trans	-79.8	110.7	176.4	-67.8	164	0	0	0	108.7	K60 V61	K60-I64 WeakPolarHBondContact O-CG1 3.46Å; K60-I64 PolarHBondContact O-N 2.77Å; V61-I64 PolarHBondContact O-N 3.25Å
65	S	77.7	Confident	80.3	Confident	73 Å²	73	101.8 Å²	101.8	51%	0.51	51%	0.514	S	S	.	.			trans	-69.7	155.1	170.6	152.6	0	0	0	0	110.8	D63 P67 E69	D63-S65 PolarHBondContact O-N 2.91Å; S65-P67 WeakPolarHBondContact O-CD 3.49Å; S65-E69 PolarHBondContact OG-OE2 3.43Å
66	D	79.6	Confident	80.4	Confident	35 Å²	35	96.1 Å²	96.1	19%	0.187	49%	0.493	C	S	.	.			trans	-57.5	118.2	174.9	174.9	0.9	0	0	0	109.5	W68 E69 K119 N135	D66-W68 PolarHBondContact O-N 3.31Å; D66-W68 PolarHBondContact OD1-N 2.87Å; D66-E69 HydrophobicContact CB-CB 4.11Å; D66-E69 VanDerWaalsContact O-CB 3.32Å; D66-E69 WeakPolarHBondContact O-CB 3.48Å; D66-E69 PolarHBondContact O-N 3.43Å; D66-K119 WeakPolarHBondContact OD2-CE 3.27Å; D66-K119 IonicContact OD2-NZ 3Å; D66-K119 PolarHBondContact OD2-NZ 3.3Å; D66-N135 PolarHBondContact OD1-ND2 3.13Å
67	P	80.6	Confident	80.7	Confident	63 Å²	63	93.4 Å²	93.4	41%	0.409	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.9	-179.3	24.5	-34.3	0	0	0	113.1	S65 F200	S65-P67 WeakPolarHBondContact O-CD 3.49Å; P67-F200 HydrophobicContact CB-CE1 4.24Å; P67-F200 HydrophobicContact CG-CD1 4.14Å; P67-F200 HydrophobicContact CG-CE1 3.8Å
68	W	85.1	Confident	81.3	Confident	14 Å²	14	91.4 Å²	91.4	5%	0.053	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	13.2	178	-62.4	-14.5	0	0	0	113.9	D66 N70 M71 L73 R117 N135 Y136 V137 F200	D66-W68 PolarHBondContact O-N 3.31Å; D66-W68 PolarHBondContact OD1-N 2.87Å; W68-N70 PolarHBondContact O-N 3.26Å; W68-N70 VanDerWaalsContact O-N 3.15Å; W68-M71 HydrophobicContact CB-CB 4.34Å; W68-M71 HydrophobicContact CB-CG 4.07Å; W68-M71 HydrophobicContact CG-CG 4.42Å; W68-M71 WeakPolarHBondContact O-CB 3.2Å; W68-M71 PolarHBondContact O-N 2.92Å; W68-L73 HydrophobicContact CB-CD1 3.96Å; W68-L73 HydrophobicContact CD2-CD1 4.17Å; W68-L73 HydrophobicContact CE3-CD1 3.52Å; W68-L73 HydrophobicContact CG-CD1 4.41Å; W68-L73 HydrophobicContact CZ3-CD1 4.29Å; W68-R117 HydrophobicContact CD2-CB 4.44Å; W68-R117 HydrophobicContact CD2-CG 4.19Å; W68-R117 HydrophobicContact CE3-CB 3.99Å; W68-R117 HydrophobicContact CE3-CG 4.22Å; W68-R117 HydrophobicContact CH2-CB 3.89Å; W68-R117 HydrophobicContact CH2-CG 3.81Å; W68-R117 HydrophobicContact CZ2-CB 4.35Å; W68-R117 HydrophobicContact CZ2-CG 3.77Å; W68-R117 HydrophobicContact CZ3-CB 3.7Å; W68-R117 HydrophobicContact CZ3-CG 4.04Å; W68-N135 HydrophobicContact CD2-CB 4.38Å; W68-N135 HydrophobicContact CE3-CB 3.67Å; W68-N135 HydrophobicContact CH2-CB 4.32Å; W68-N135 HydrophobicContact CZ3-CB 3.63Å; W68-Y136 VanDerWaalsContact CH2-O 3.25Å; W68-Y136 WeakPolarHBondContact CH2-O 3.34Å; W68-Y136 VanDerWaalsContact CZ3-O 3.27Å; W68-Y136 WeakPolarHBondContact CZ3-O 3.41Å; W68-V137 HydrophobicContact CH2-CG2 4.09Å; W68-V137 HydrophobicContact CZ2-CG2 4.49Å; W68-F200 HydrophobicContact CH2-CB 3.83Å; W68-F200 AromaticContact CH2-CD2 3.84Å; W68-F200 HydrophobicContact CH2-CD2 3.84Å; W68-F200 AromaticContact CH2-CG 3.85Å; W68-F200 HydrophobicContact CH2-CG 3.85Å; W68-F200 HydrophobicContact CZ2-CB 4.03Å; W68-F200 HydrophobicContact CZ2-CD1 4.09Å; W68-F200 AromaticContact CZ2-CD2 3.24Å; W68-F200 HydrophobicContact CZ2-CD2 3.24Å; W68-F200 HydrophobicContact CZ2-CE1 4.4Å; W68-F200 AromaticContact CZ2-CE2 3.62Å; W68-F200 HydrophobicContact CZ2-CE2 3.62Å; W68-F200 AromaticContact CZ2-CG 3.5Å; W68-F200 HydrophobicContact CZ2-CG 3.5Å; W68-F200 VanDerWaalsContact CZ2-CG 3.5Å; W68-F200 HydrophobicContact CZ2-CZ 4.19Å; W68-F200 HydrophobicContact CZ3-CB 4.44Å; W68-F200 AromaticContact NE1-CZ 3.84Å
69	E	79.9	Confident	81.9	Confident	122 Å²	122	88.7 Å²	88.7	57%	0.57	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-51	-43.4	179.8	-169.5	173.7	177	0	0	112	S65 D66 M71 R72	S65-E69 PolarHBondContact OG-OE2 3.43Å; D66-E69 HydrophobicContact CB-CB 4.11Å; D66-E69 VanDerWaalsContact O-CB 3.32Å; D66-E69 WeakPolarHBondContact O-CB 3.48Å; D66-E69 PolarHBondContact O-N 3.43Å; E69-M71 VanDerWaalsContact C-N 3.28Å; E69-M71 PolarHBondContact O-N 3.3Å; E69-R72 PolarHBondContact O-N 2.87Å
70	N	79.2	Confident	82.5	Confident	139 Å²	139	85.9 Å²	85.9	74%	0.743	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-72.4	-16	-179.8	-66.6	-42.9	0	0	0	114.5	W68 R72	W68-N70 PolarHBondContact O-N 3.26Å; W68-N70 VanDerWaalsContact O-N 3.15Å; N70-R72 PolarHBondContact O-N 3.49Å
71	M	77.4	Confident	83.3	Confident	79 Å²	79	78.7 Å²	78.7	39%	0.389	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-79	-6.8	-178	-56.1	-63.7	104.3	0	0	112.1	W68 E69 L73	W68-M71 HydrophobicContact CB-CB 4.34Å; W68-M71 HydrophobicContact CB-CG 4.07Å; W68-M71 HydrophobicContact CG-CG 4.42Å; W68-M71 WeakPolarHBondContact O-CB 3.2Å; W68-M71 PolarHBondContact O-N 2.92Å; E69-M71 VanDerWaalsContact C-N 3.28Å; E69-M71 PolarHBondContact O-N 3.3Å; M71-L73 PolarHBondContact O-N 2.92Å; M71-L73 VanDerWaalsContact O-N 3.16Å
72	R	78.8	Confident	84.3	Confident	185 Å²	185	76.9 Å²	76.9	70%	0.698	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	34.2	176.7	-57.8	-178.7	-179	-178.3	0.1	113.7	E69 N70 S74 S75	E69-R72 PolarHBondContact O-N 2.87Å; N70-R72 PolarHBondContact O-N 3.49Å; R72-S74 PolarHBondContact O-N 3.48Å; R72-S75 PolarHBondContact O-N 3.01Å; R72-S75 PolarHBondContact O-OG 3.34Å
73	L	80.7	Confident	85.3	Confident	2 Å²	2	71 Å²	71	1%	0.01	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-52	-27.7	173.7	-82.5	157.1	0	0	0	112.9	W68 M71 S75 Y76 K101 E103 R117 K119	W68-L73 HydrophobicContact CB-CD1 3.96Å; W68-L73 HydrophobicContact CD2-CD1 4.17Å; W68-L73 HydrophobicContact CE3-CD1 3.52Å; W68-L73 HydrophobicContact CG-CD1 4.41Å; W68-L73 HydrophobicContact CZ3-CD1 4.29Å; M71-L73 PolarHBondContact O-N 2.92Å; M71-L73 VanDerWaalsContact O-N 3.16Å; L73-S75 PolarHBondContact O-N 3.25Å; L73-Y76 PolarHBondContact O-N 3.44Å; L73-K101 WeakPolarHBondContact O-CD 3.38Å; L73-E103 HydrophobicContact CD2-CG 3.79Å; L73-R117 HydrophobicContact CD1-CB 3.97Å; L73-R117 HydrophobicContact CD2-CB 4Å; L73-R117 HydrophobicContact CG-CB 4.49Å; L73-K119 HydrophobicContact CB-CD 4.44Å; L73-K119 HydrophobicContact CB-CG 4.28Å; L73-K119 HydrophobicContact CD1-CG 4.32Å
74	S	75.5	Confident	86.3	Confident	66 Å²	66	66.8 Å²	66.8	46%	0.462	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-62.5	-21	175.4	56.8	0	0	0	0	114.4	R72 K101	R72-S74 PolarHBondContact O-N 3.48Å; S74-K101 PolarHBondContact O-NZ 3.26Å
75	S	84.1	Confident	87.4	Confident	95 Å²	95	63.7 Å²	63.7	66%	0.664	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-82.3	-13.9	178.1	62.6	0	0	0	0	114.6	R72 L73	R72-S75 PolarHBondContact O-N 3.01Å; R72-S75 PolarHBondContact O-OG 3.34Å; L73-S75 PolarHBondContact O-N 3.25Å
76	Y	89.7	Confident	88.4	Confident	67 Å²	67	61 Å²	61	26%	0.263	32%	0.318	S	S	.	.	S	Bend	trans	-71	152.5	176.8	-71.3	-91.7	0	0	0	111.3	L73 K101 I102 E103	L73-Y76 PolarHBondContact O-N 3.44Å; Y76-K101 VanDerWaalsContact O-CD 3.28Å; Y76-K101 WeakPolarHBondContact O-CD 3.42Å; Y76-K101 WeakPolarHBondContact O-CE 3.41Å; Y76-I102 WeakPolarHBondContact CD1-O 3.2Å; Y76-E103 HydrophobicContact CE2-CG 4.02Å
77	A	92	Very high	89	Confident	74 Å²	74	59.7 Å²	59.7	61%	0.612	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-64.9	144.9	177	0	0	0	0	0	110.5
78	V	94.2	Very high	89.4	Confident	58 Å²	58	56.9 Å²	56.9	35%	0.352	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-76.8	128.9	171.2	-178.8	0	0	0	0	108.2	Y99 K101 W130	V78-Y99 HydrophobicContact CG1-CD1 4.36Å; V78-K101 HydrophobicContact CG2-CD 4.44Å; V78-K101 HydrophobicContact CG2-CG 4.24Å; V78-W130 HydrophobicContact CB-CZ2 4.3Å; V78-W130 HydrophobicContact CG1-CH2 4.26Å; V78-W130 HydrophobicContact CG1-CZ2 3.82Å; V78-W130 HydrophobicContact CG2-CH2 4.39Å; V78-W130 HydrophobicContact CG2-CZ2 3.5Å
79	E	95.7	Very high	89.6	Confident	49 Å²	49	56.8 Å²	56.8	23%	0.229	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.2	176.4	-69.8	178.7	-94.4	0	0	110.9	Y99 V100 F186 R189	E79-Y99 CarbonylContact O-C 3.6Å; E79-Y99 WeakPolarHBondContact O-CA 3.41Å; E79-V100 HydrophobicContact CB-CG2 4.32Å; E79-V100 PolarHBondContact N-O 3.34Å; E79-V100 PolarHBondContact O-N 2.99Å; E79-F186 HydrophobicContact CB-CD1 4.27Å; E79-F186 HydrophobicContact CB-CE1 4.16Å; E79-F186 WeakPolarHBondContact OE2-CD1 3.48Å; E79-R189 VanDerWaalsContact CD-NH2 3.33Å; E79-R189 IonicContact OE1-CZ 3Å; E79-R189 IonicContact OE1-NE 3.35Å; E79-R189 IonicContact OE1-NH2 2.71Å; E79-R189 PolarHBondContact OE1-NH2 3.47Å; E79-R189 IonicContact OE2-CZ 3.5Å; E79-R189 IonicContact OE2-NE 2.67Å; E79-R189 PolarHBondContact OE2-NE 3.32Å; E79-R189 IonicContact OE2-NH2 3.1Å; E79-R189 PolarHBondContact OE2-NH2 2.83Å
80	E	96.3	Very high	90.1	Very high	82 Å²	82	56.5 Å²	56.5	38%	0.383	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	128	175.1	-174.2	-179.6	149.9	0	0	110.2	T97 Y99	E80-T97 HydrophobicContact CG-CG2 3.47Å; E80-T97 VanDerWaalsContact CG-CG2 3.47Å; E80-T97 WeakPolarHBondContact OE1-CG2 3.33Å; E80-Y99 HydrophobicContact CB-CD1 4.01Å; E80-Y99 HydrophobicContact CB-CE1 3.89Å; E80-Y99 HydrophobicContact CG-CD1 4.16Å; E80-Y99 HydrophobicContact CG-CE1 3.67Å
81	C	98.1	Very high	90.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	149.2	179.5	-64.3	0	0	0	0	111.1	V98 V100 I184 E185 F186	C81-V98 HydrophobicContact CB-CG2 4.09Å; C81-V98 PolarHBondContact N-O 3.46Å; C81-V98 PolarHBondContact O-N 2.95Å; C81-V100 VanDerWaalsContact SG-CG2 3.57Å; C81-I184 HydrophobicContact CB-CB 4.17Å; C81-E185 VanDerWaalsContact CA-O 3.24Å; C81-E185 WeakPolarHBondContact CA-O 3.42Å; C81-E185 WeakPolarHBondContact CB-O 3.21Å; C81-F186 VanDerWaalsContact SG-CD1 3.52Å
82	L	98.3	Very high	91.4	Very high	49 Å²	49	59.5 Å²	59.5	26%	0.257	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	125.5	163.2	-65.7	179.9	0	0	0	108.9	Y84 T95 I184 E185 V187	L82-Y84 HydrophobicContact CB-CE2 4.04Å; L82-T95 HydrophobicContact CB-CG2 4.44Å; L82-I184 CarbonylContact O-C 3.55Å; L82-I184 VanDerWaalsContact O-CA 3.27Å; L82-I184 WeakPolarHBondContact O-CA 3.49Å; L82-E185 HydrophobicContact CB-CB 4.44Å; L82-E185 PolarHBondContact N-O 3.3Å; L82-E185 PolarHBondContact O-N 2.97Å; L82-V187 HydrophobicContact CB-CG1 4.33Å; L82-V187 HydrophobicContact CD1-CG1 3.68Å; L82-V187 HydrophobicContact CG-CG1 3.68Å
83	R	98.2	Very high	92.2	Very high	7 Å²	7	54 Å²	54	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.9	174	-177	176.7	63.9	169.4	-9.7	110	R85 T95 D96 V98 D122 V183 I184 D365	R83-R85 HydrophobicContact CG-CG 4.1Å; R83-T95 VanDerWaalsContact O-CA 3.28Å; R83-T95 WeakPolarHBondContact O-CA 3.48Å; R83-D96 IonicContact CZ-OD1 3.75Å; R83-D96 IonicContact CZ-OD2 3.9Å; R83-D96 VanDerWaalsContact CZ-OD2 3.23Å; R83-D96 PolarHBondContact N-O 3.39Å; R83-D96 IonicContact NE-OD1 3.47Å; R83-D96 PolarHBondContact NE-OD1 3.14Å; R83-D96 IonicContact NE-OD2 3.86Å; R83-D96 PolarHBondContact NE-OD2 2.8Å; R83-D96 IonicContact NH2-OD1 3.33Å; R83-D96 IonicContact NH2-OD2 3.06Å; R83-D96 PolarHBondContact NH2-OD2 2.94Å; R83-D96 PolarHBondContact O-N 3.26Å; R83-V98 HydrophobicContact CB-CB 4.46Å; R83-V98 HydrophobicContact CB-CG1 3.79Å; R83-V98 HydrophobicContact CB-CG2 3.82Å; R83-V98 HydrophobicContact CG-CG1 4.46Å; R83-D122 IonicContact NH2-OD1 3.24Å; R83-V183 CarbonylContact C-O 3.41Å; R83-V183 WeakPolarHBondContact CA-O 3.43Å; R83-I184 HydrophobicContact CB-CG2 4.11Å; R83-I184 HydrophobicContact CG-CG2 4.19Å; R83-D365 IonicContact CZ-OD1 3.32Å; R83-D365 IonicContact NH1-OD1 3.08Å; R83-D365 PolarHBondContact NH1-OD1 3.07Å
84	Y	98.4	Very high	92.9	Very high	34 Å²	34	56.8 Å²	56.8	13%	0.133	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.1	175	-56.6	-88.4	0	0	0	109.9	L82 T95 R147 F151 S182 V183 E185	L82-Y84 HydrophobicContact CB-CE2 4.04Å; Y84-T95 HydrophobicContact CD1-CG2 3.9Å; Y84-T95 VanDerWaalsContact CD1-OG1 3.31Å; Y84-T95 WeakPolarHBondContact CD1-OG1 3.49Å; Y84-T95 HydrophobicContact CE1-CG2 3.72Å; Y84-R147 PolarHBondContact OH-NH2 2.87Å; Y84-F151 AromaticContact CD1-CE1 3.84Å; Y84-F151 HydrophobicContact CD1-CE1 3.84Å; Y84-F151 HydrophobicContact CD1-CZ 4.21Å; Y84-F151 HydrophobicContact CD2-CE1 4.06Å; Y84-F151 AromaticContact CD2-CZ 3.83Å; Y84-F151 HydrophobicContact CD2-CZ 3.83Å; Y84-F151 HydrophobicContact CE1-CE1 4.47Å; Y84-F151 HydrophobicContact CE2-CZ 4.16Å; Y84-F151 AromaticContact CG-CE1 3.6Å; Y84-F151 HydrophobicContact CG-CE1 3.6Å; Y84-F151 AromaticContact CG-CZ 3.86Å; Y84-F151 HydrophobicContact CG-CZ 3.86Å; Y84-S182 WeakPolarHBondContact O-CA 3.48Å; Y84-S182 WeakPolarHBondContact O-CB 3.41Å; Y84-V183 HydrophobicContact CD2-CB 4.26Å; Y84-V183 HydrophobicContact CD2-CG1 4.38Å; Y84-V183 PolarHBondContact N-O 3.13Å; Y84-V183 PolarHBondContact O-N 2.89Å; Y84-E185 HydrophobicContact CE2-CB 3.92Å; Y84-E185 PolarHBondContact OH-OE2 2.92Å
85	R	96.8	Very high	94	Very high	45 Å²	45	57.2 Å²	57.2	17%	0.17	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	136.3	178.1	-66.9	-178.7	-71.8	155.3	-5.8	110.2	R83 W93 V94 D96 G364	R83-R85 HydrophobicContact CG-CG 4.1Å; R85-W93 CarbonylContact O-C 3.52Å; R85-W93 WeakPolarHBondContact O-CA 3.49Å; R85-V94 PolarHBondContact N-O 3.35Å; R85-V94 PolarHBondContact O-N 2.88Å; R85-D96 IonicContact CZ-OD1 2.73Å; R85-D96 VanDerWaalsContact CZ-OD1 3.29Å; R85-D96 IonicContact NE-OD1 3.39Å; R85-D96 PolarHBondContact NE-OD1 3.49Å; R85-D96 IonicContact NH2-OD1 3.82Å; R85-D96 PolarHBondContact NH2-OD1 2.97Å; R85-D96 IonicContact NH2-OD2 3.93Å; R85-G364 PolarHBondContact NH1-O 3.48Å
86	Y	96.8	Very high	94.6	Very high	17 Å²	17	54.3 Å²	54.3	7%	0.067	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.6	176.2	-177.1	-114.9	0	0	0	111.1	W93 R155 M158	Y86-W93 AromaticContact CD2-CD1 3.96Å; Y86-W93 HydrophobicContact CD2-CD2 4.01Å; Y86-W93 AromaticContact CD2-CE2 3.68Å; Y86-W93 HydrophobicContact CD2-CG 4.2Å; Y86-W93 HydrophobicContact CD2-CZ2 4.17Å; Y86-W93 AromaticContact CD2-NE1 3.6Å; Y86-W93 HydrophobicContact CG-CZ2 4.28Å; Y86-R155 HydrophobicContact CD1-CB 4.21Å; Y86-R155 HydrophobicContact CD1-CG 3.88Å; Y86-R155 HydrophobicContact CD2-CG 4.11Å; Y86-R155 HydrophobicContact CE1-CB 4.09Å; Y86-R155 HydrophobicContact CE1-CG 3.86Å; Y86-R155 HydrophobicContact CE2-CG 4.12Å; Y86-R155 HydrophobicContact CG-CG 3.99Å; Y86-M158 HydrophobicContact CD1-CB 3.99Å
87	S	92.4	Very high	94.9	Very high	7 Å²	7	53.8 Å²	53.8	5%	0.049	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	102.6	168.3	-174.9	0	0	0	0	108.8	V89 R90 E91 R92	S87-V89 VanDerWaalsContact C-N 3.26Å; S87-V89 PolarHBondContact O-N 3.47Å; S87-R90 PolarHBondContact O-N 2.94Å; S87-R90 PolarHBondContact OG-N 3.27Å; S87-E91 VanDerWaalsContact O-CA 3.3Å; S87-E91 WeakPolarHBondContact O-CA 3.49Å; S87-E91 PolarHBondContact O-N 3.29Å; S87-R92 PolarHBondContact N-O 3.24Å; S87-R92 PolarHBondContact O-N 3.42Å
88	S	90.5	Very high	95.1	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.028	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-32.3	176.9	177.5	0	0	0	0	112.5	D159 L162 R341	S88-D159 VanDerWaalsContact CB-OD1 3.32Å; S88-D159 WeakPolarHBondContact CB-OD1 3.28Å; S88-D159 PolarHBondContact OG-OD1 3.07Å; S88-L162 WeakPolarHBondContact OG-CD1 3.33Å; S88-L162 WeakPolarHBondContact OG-CG 3.4Å; S88-R341 VanDerWaalsContact O-CD 3.23Å; S88-R341 WeakPolarHBondContact O-CD 3.34Å; S88-R341 WeakPolarHBondContact O-CG 3.25Å; S88-R341 PolarHBondContact O-NE 3.01Å
89	V	88.9	Confident	95.2	Very high	11 Å²	11	49.5 Å²	49.5	7%	0.067	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-39.3	177.3	-177.5	0	0	0	0	112.7	S87 L162 Q345	S87-V89 VanDerWaalsContact C-N 3.26Å; S87-V89 PolarHBondContact O-N 3.47Å; V89-L162 HydrophobicContact CG2-CD1 4.16Å; V89-L162 HydrophobicContact CG2-CD2 3.67Å; V89-Q345 HydrophobicContact CG1-CG 3.38Å; V89-Q345 PolarHBondContact O-NE2 3.47Å
90	R	89	Confident	95.2	Very high	117 Å²	117	47.2 Å²	47.2	44%	0.442	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-7.1	-176	-63.3	-179.1	173.9	-177.8	-2.9	113.3	S87 R92	S87-R90 PolarHBondContact O-N 2.94Å; S87-R90 PolarHBondContact OG-N 3.27Å; R90-R92 VanDerWaalsContact C-N 3.25Å; R90-R92 HydrophobicContact CB-CB 4.45Å; R90-R92 VanDerWaalsContact O-CG 3.31Å; R90-R92 WeakPolarHBondContact O-CG 3.46Å; R90-R92 PolarHBondContact O-N 2.89Å
91	E	90	Very high	95.1	Very high	104 Å²	104	44.2 Å²	44.2	49%	0.486	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	39.7	-174.4	-59	-178	85.9	0	0	113.4	S87 R341	S87-E91 VanDerWaalsContact O-CA 3.3Å; S87-E91 WeakPolarHBondContact O-CA 3.49Å; S87-E91 PolarHBondContact O-N 3.29Å; E91-R341 IonicContact OE1-CZ 3.7Å; E91-R341 IonicContact OE1-NE 2.64Å; E91-R341 IonicContact OE1-NH1 3.8Å; E91-R341 PolarHBondContact OE1-NH1 2.84Å; E91-R341 IonicContact OE1-NH2 3.69Å; E91-R341 PolarHBondContact OE1-NH2 2.99Å; E91-R341 IonicContact OE2-CZ 3.85Å; E91-R341 IonicContact OE2-NE 3.03Å; E91-R341 IonicContact OE2-NH1 3.25Å; E91-R341 PolarHBondContact OE2-NH1 2.76Å
92	R	94.5	Very high	95	Very high	177 Å²	177	44.3 Å²	44.3	67%	0.668	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.6	-173.9	-71.6	168.7	-160.8	-172.3	3.4	111.8	S87 R90	S87-R92 PolarHBondContact N-O 3.24Å; S87-R92 PolarHBondContact O-N 3.42Å; R90-R92 VanDerWaalsContact C-N 3.25Å; R90-R92 HydrophobicContact CB-CB 4.45Å; R90-R92 VanDerWaalsContact O-CG 3.31Å; R90-R92 WeakPolarHBondContact O-CG 3.46Å; R90-R92 PolarHBondContact O-N 2.89Å
93	W	96.7	Very high	94.8	Very high	70 Å²	70	43 Å²	43	27%	0.265	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	138.1	168.2	-69.5	89	0	0	0	110.4	R85 Y86 F151 V154 R155	R85-W93 CarbonylContact O-C 3.52Å; R85-W93 WeakPolarHBondContact O-CA 3.49Å; Y86-W93 AromaticContact CD2-CD1 3.96Å; Y86-W93 HydrophobicContact CD2-CD2 4.01Å; Y86-W93 AromaticContact CD2-CE2 3.68Å; Y86-W93 HydrophobicContact CD2-CG 4.2Å; Y86-W93 HydrophobicContact CD2-CZ2 4.17Å; Y86-W93 AromaticContact CD2-NE1 3.6Å; Y86-W93 HydrophobicContact CG-CZ2 4.28Å; W93-F151 HydrophobicContact CD2-CD1 4.18Å; W93-F151 HydrophobicContact CE3-CD1 4.01Å; W93-F151 HydrophobicContact CE3-CE1 4.32Å; W93-F151 HydrophobicContact CH2-CB 3.83Å; W93-F151 AromaticContact CH2-CD1 3.41Å; W93-F151 HydrophobicContact CH2-CD1 3.41Å; W93-F151 VanDerWaalsContact CH2-CD1 3.41Å; W93-F151 HydrophobicContact CH2-CE1 4.34Å; W93-F151 HydrophobicContact CH2-CG 4Å; W93-F151 WeakPolarHBondContact CH2-O 3.42Å; W93-F151 HydrophobicContact CZ2-CB 3.7Å; W93-F151 AromaticContact CZ2-CD1 3.63Å; W93-F151 HydrophobicContact CZ2-CD1 3.63Å; W93-F151 HydrophobicContact CZ2-CG 4.14Å; W93-F151 WeakPolarHBondContact CZ2-O 3.48Å; W93-F151 AromaticContact CZ3-CD1 3.63Å; W93-F151 HydrophobicContact CZ3-CD1 3.63Å; W93-F151 HydrophobicContact CZ3-CE1 4.13Å; W93-V154 HydrophobicContact CH2-CB 3.85Å; W93-V154 HydrophobicContact CH2-CG1 3.7Å; W93-V154 HydrophobicContact CZ3-CB 4.47Å; W93-V154 HydrophobicContact CZ3-CG1 3.95Å; W93-R155 HydrophobicContact CZ2-CG 3.75Å
94	V	95.3	Very high	94.5	Very high	59 Å²	59	47.9 Å²	47.9	36%	0.358	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	131.5	170.3	179.8	0	0	0	0	106.9	R85 F367	R85-V94 PolarHBondContact N-O 3.35Å; R85-V94 PolarHBondContact O-N 2.88Å; V94-F367 HydrophobicContact CG2-CZ 4.38Å
95	T	97.2	Very high	94.3	Very high	75 Å²	75	53 Å²	53	46%	0.46	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.2	178	-51.3	0	0	0	0	109.5	L82 R83 Y84	L82-T95 HydrophobicContact CB-CG2 4.44Å; R83-T95 VanDerWaalsContact O-CA 3.28Å; R83-T95 WeakPolarHBondContact O-CA 3.48Å; Y84-T95 HydrophobicContact CD1-CG2 3.9Å; Y84-T95 VanDerWaalsContact CD1-OG1 3.31Å; Y84-T95 WeakPolarHBondContact CD1-OG1 3.49Å; Y84-T95 HydrophobicContact CE1-CG2 3.72Å
96	D	96.6	Very high	94.2	Very high	35 Å²	35	53.1 Å²	53.1	19%	0.187	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.9	176	58.7	-79.9	0	0	0	110.9	R83 R85	R83-D96 IonicContact CZ-OD1 3.75Å; R83-D96 IonicContact CZ-OD2 3.9Å; R83-D96 VanDerWaalsContact CZ-OD2 3.23Å; R83-D96 PolarHBondContact N-O 3.39Å; R83-D96 IonicContact NE-OD1 3.47Å; R83-D96 PolarHBondContact NE-OD1 3.14Å; R83-D96 IonicContact NE-OD2 3.86Å; R83-D96 PolarHBondContact NE-OD2 2.8Å; R83-D96 IonicContact NH2-OD1 3.33Å; R83-D96 IonicContact NH2-OD2 3.06Å; R83-D96 PolarHBondContact NH2-OD2 2.94Å; R83-D96 PolarHBondContact O-N 3.26Å; R85-D96 IonicContact CZ-OD1 2.73Å; R85-D96 VanDerWaalsContact CZ-OD1 3.29Å; R85-D96 IonicContact NE-OD1 3.39Å; R85-D96 PolarHBondContact NE-OD1 3.49Å; R85-D96 IonicContact NH2-OD1 3.82Å; R85-D96 PolarHBondContact NH2-OD1 2.97Å; R85-D96 IonicContact NH2-OD2 3.93Å
97	T	97.5	Very high	94.1	Very high	56 Å²	56	55.6 Å²	55.6	34%	0.344	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	133	177.3	-58.6	0	0	0	0	110	E80 Y99	E80-T97 HydrophobicContact CG-CG2 3.47Å; E80-T97 VanDerWaalsContact CG-CG2 3.47Å; E80-T97 WeakPolarHBondContact OE1-CG2 3.33Å; T97-Y99 HydrophobicContact CG2-CE1 4.44Å; T97-Y99 HydrophobicContact CG2-CE2 4.37Å
98	V	96.4	Very high	94	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	160.1	176.1	-59.9	0	0	0	0	110.5	C81 R83 V100 K120 I184	C81-V98 HydrophobicContact CB-CG2 4.09Å; C81-V98 PolarHBondContact N-O 3.46Å; C81-V98 PolarHBondContact O-N 2.95Å; R83-V98 HydrophobicContact CB-CB 4.46Å; R83-V98 HydrophobicContact CB-CG1 3.79Å; R83-V98 HydrophobicContact CB-CG2 3.82Å; R83-V98 HydrophobicContact CG-CG1 4.46Å; V98-V100 HydrophobicContact CG2-CG1 4.26Å; V98-K120 HydrophobicContact CB-CG 4.44Å; V98-I184 HydrophobicContact CG2-CG2 4.12Å
99	Y	95.6	Very high	94	Very high	42 Å²	42	68.7 Å²	68.7	17%	0.165	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.6	-179.4	-56.3	-84.7	0	0	0	109.2	V78 E79 E80 T97 K120 S121 N124	V78-Y99 HydrophobicContact CG1-CD1 4.36Å; E79-Y99 CarbonylContact O-C 3.6Å; E79-Y99 WeakPolarHBondContact O-CA 3.41Å; E80-Y99 HydrophobicContact CB-CD1 4.01Å; E80-Y99 HydrophobicContact CB-CE1 3.89Å; E80-Y99 HydrophobicContact CG-CD1 4.16Å; E80-Y99 HydrophobicContact CG-CE1 3.67Å; T97-Y99 HydrophobicContact CG2-CE1 4.44Å; T97-Y99 HydrophobicContact CG2-CE2 4.37Å; Y99-K120 WeakPolarHBondContact O-CA 3.38Å; Y99-S121 PolarHBondContact N-O 3.1Å; Y99-S121 PolarHBondContact O-N 3.2Å; Y99-N124 HydrophobicContact CD1-CB 3.55Å; Y99-N124 HydrophobicContact CD2-CB 3.63Å; Y99-N124 HydrophobicContact CE1-CB 3.35Å; Y99-N124 VanDerWaalsContact CE1-ND2 3.26Å; Y99-N124 WeakPolarHBondContact CE1-ND2 3.46Å; Y99-N124 HydrophobicContact CE2-CB 3.45Å; Y99-N124 VanDerWaalsContact CE2-CB 3.45Å; Y99-N124 HydrophobicContact CG-CB 3.66Å
100	V	95.8	Very high	93.9	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	151.2	-172.1	-55.9	0	0	0	0	111.9	E79 C81 V98 L118 K119 K120 I184 F186	E79-V100 HydrophobicContact CB-CG2 4.32Å; E79-V100 PolarHBondContact N-O 3.34Å; E79-V100 PolarHBondContact O-N 2.99Å; C81-V100 VanDerWaalsContact SG-CG2 3.57Å; V98-V100 HydrophobicContact CG2-CG1 4.26Å; V100-L118 HydrophobicContact CB-CD1 3.91Å; V100-L118 HydrophobicContact CB-CD2 4.12Å; V100-L118 HydrophobicContact CB-CG 4.06Å; V100-L118 HydrophobicContact CG1-CD1 4.06Å; V100-L118 HydrophobicContact CG1-CD2 3.94Å; V100-L118 HydrophobicContact CG1-CG 4.35Å; V100-L118 HydrophobicContact CG2-CD1 4.26Å; V100-K119 CarbonylContact C-O 3.49Å; V100-K119 VanDerWaalsContact CA-O 3.24Å; V100-K119 WeakPolarHBondContact CA-O 3.41Å; V100-K120 HydrophobicContact CG1-CB 4.41Å; V100-K120 HydrophobicContact CG1-CG 4.47Å; V100-I184 HydrophobicContact CG1-CD1 4.41Å; V100-F186 HydrophobicContact CG2-CE1 3.73Å; V100-F186 HydrophobicContact CG2-CZ 3.76Å
101	K	94.8	Very high	93.8	Very high	20 Å²	20	69.8 Å²	69.8	9%	0.087	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.9	162.1	-69.5	-172.3	175.5	-177.4	0	107.3	L73 S74 Y76 V78 L118 K119 W130	L73-K101 WeakPolarHBondContact O-CD 3.38Å; S74-K101 PolarHBondContact O-NZ 3.26Å; Y76-K101 VanDerWaalsContact O-CD 3.28Å; Y76-K101 WeakPolarHBondContact O-CD 3.42Å; Y76-K101 WeakPolarHBondContact O-CE 3.41Å; V78-K101 HydrophobicContact CG2-CD 4.44Å; V78-K101 HydrophobicContact CG2-CG 4.24Å; K101-L118 CarbonylContact O-C 3.51Å; K101-L118 VanDerWaalsContact O-CA 3.29Å; K101-L118 WeakPolarHBondContact O-CA 3.43Å; K101-K119 PolarHBondContact N-O 2.88Å; K101-K119 PolarHBondContact O-N 2.81Å; K101-W130 HydrophobicContact CB-CE3 4.34Å; K101-W130 HydrophobicContact CB-CZ3 4.28Å; K101-W130 HydrophobicContact CD-CB 4.47Å; K101-W130 HydrophobicContact CD-CD2 3.63Å; K101-W130 HydrophobicContact CD-CE3 3.77Å; K101-W130 HydrophobicContact CD-CG 3.94Å; K101-W130 HydrophobicContact CD-CZ3 4.3Å; K101-W130 HydrophobicContact CG-CD2 4.09Å; K101-W130 HydrophobicContact CG-CE3 3.86Å; K101-W130 HydrophobicContact CG-CH2 4.12Å; K101-W130 HydrophobicContact CG-CZ2 4.35Å; K101-W130 HydrophobicContact CG-CZ3 3.87Å
102	I	95.6	Very high	93.9	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.01	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.8	-175.5	-169.1	177.6	0	0	0	109.8	Y76 Y116 R117 L118 A138 F186 Y195	Y76-I102 WeakPolarHBondContact CD1-O 3.2Å; I102-Y116 HydrophobicContact CD1-CD1 4.49Å; I102-Y116 HydrophobicContact CD1-CG 4.16Å; I102-Y116 HydrophobicContact CG1-CG 4.46Å; I102-R117 WeakPolarHBondContact CA-O 3.08Å; I102-L118 HydrophobicContact CB-CD1 4.13Å; I102-L118 HydrophobicContact CB-CG 4.41Å; I102-L118 HydrophobicContact CD1-CD1 4.15Å; I102-L118 HydrophobicContact CG1-CB 4.38Å; I102-L118 HydrophobicContact CG1-CD1 4.2Å; I102-A138 HydrophobicContact CD1-CB 3.88Å; I102-F186 HydrophobicContact CB-CZ 4.44Å; I102-F186 HydrophobicContact CD1-CZ 4.06Å; I102-F186 HydrophobicContact CG2-CE1 3.97Å; I102-F186 HydrophobicContact CG2-CZ 3.89Å; I102-Y195 HydrophobicContact CD1-CD1 4.44Å; I102-Y195 HydrophobicContact CD1-CE1 4.27Å
103	E	94.2	Very high	93.9	Very high	20 Å²	20	63.4 Å²	63.4	9%	0.093	34%	0.337	C	S	.	.			trans	-65.4	146.5	170.5	-83.4	175.1	179.9	0	0	111.5	L73 Y76 H105 Y116 R117	L73-E103 HydrophobicContact CD2-CG 3.79Å; Y76-E103 HydrophobicContact CE2-CG 4.02Å; E103-H105 VanDerWaalsContact C-N 3.31Å; E103-H105 PolarHBondContact O-N 3.06Å; E103-Y116 WeakPolarHBondContact O-CD1 3.3Å; E103-R117 HydrophobicContact CG-CB 4.28Å; E103-R117 PolarHBondContact N-O 3.46Å; E103-R117 WeakPolarHBondContact OE1-CD 3.34Å; E103-R117 IonicContact OE1-NH1 3.11Å; E103-R117 PolarHBondContact OE1-NH1 3.06Å; E103-R117 WeakPolarHBondContact OE2-CG 3.34Å; E103-R117 IonicContact OE2-CZ 2.66Å; E103-R117 IonicContact OE2-NH1 3.84Å; E103-R117 PolarHBondContact OE2-NH1 3.25Å
104	D	91.9	Very high	93.9	Very high	110 Å²	110	61.9 Å²	61.9	59%	0.588	33%	0.333	S	S	*	.	S	Bend	trans	-70.5	-27.4	178.3	-63.6	-41.2	0	0	0	113
105	H	93.8	Very high	93.9	Very high	142 Å²	142	60 Å²	60	66%	0.657	32%	0.322	S	S	*	.	S	Bend	trans	-120.1	143.9	-174.5	-57.6	84.2	0	0	0	110.3	E103 Y116	E103-H105 VanDerWaalsContact C-N 3.31Å; E103-H105 PolarHBondContact O-N 3.06Å; H105-Y116 VanDerWaalsContact C-CE1 3.46Å
106	P	95.3	Very high	93.9	Very high	48 Å²	48	56.6 Å²	56.6	31%	0.312	30%	0.301	S	S	.	.			trans	-68.6	141.6	177	28.5	-30.9	0	0	0	109.8	E114 C115 Y116	P106-E114 HydrophobicContact CB-CB 3.89Å; P106-E114 HydrophobicContact CG-CB 4.3Å; P106-C115 CarbonylContact C-O 3.52Å; P106-C115 WeakPolarHBondContact CA-O 3.22Å; P106-C115 VanDerWaalsContact CB-O 3.31Å; P106-C115 WeakPolarHBondContact CB-O 3.34Å; P106-Y116 HydrophobicContact CB-CD1 4.4Å; P106-Y116 HydrophobicContact CB-CD2 4.45Å; P106-Y116 HydrophobicContact CB-CE1 3.97Å; P106-Y116 HydrophobicContact CB-CE2 3.98Å; P106-Y116 WeakPolarHBondContact CD-OH 3.38Å; P106-Y116 HydrophobicContact CG-CE1 4.32Å; P106-Y116 VanDerWaalsContact N-CE1 3.26Å
107	F	93.2	Very high	93.8	Very high	69 Å²	69	57.1 Å²	57.1	30%	0.303	30%	0.3	S	S	.	.	S	Bend	trans	-92.4	-19	176.6	77.5	-87.3	0	0	0	112.9	C115 R117 V137	F107-C115 HydrophobicContact CD1-CB 4.35Å; F107-C115 WeakPolarHBondContact CD1-O 3.21Å; F107-C115 HydrophobicContact CE1-CB 3.82Å; F107-C115 HydrophobicContact CZ-CB 4.11Å; F107-C115 PolarHBondContact N-O 2.98Å; F107-R117 HydrophobicContact CB-CG 4.36Å; F107-R117 VanDerWaalsContact CB-CZ 3.4Å; F107-R117 HydrophobicContact CD1-CB 4.42Å; F107-R117 HydrophobicContact CD1-CG 3.44Å; F107-R117 VanDerWaalsContact CD1-CG 3.44Å; F107-R117 HydrophobicContact CE1-CG 3.8Å; F107-R117 HydrophobicContact CG-CG 3.91Å; F107-V137 HydrophobicContact CE1-CG1 4.22Å; F107-V137 HydrophobicContact CE1-CG2 4.45Å; F107-V137 HydrophobicContact CZ-CG1 4.4Å; F107-V137 HydrophobicContact CZ-CG2 4.24Å
108	D	92	Very high	93.7	Very high	97 Å²	97	54.5 Å²	54.5	52%	0.519	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	163.8	178.1	-161.3	5	0	0	0	109.9	C115	D108-C115 HydrophobicContact CB-CB 4.2Å; D108-C115 PolarHBondContact N-O 3.25Å; D108-C115 WeakPolarHBondContact O-CB 3.43Å; D108-C115 PolarHBondContact O-N 3.07Å
109	R	90.7	Very high	93.6	Very high	189 Å²	189	54.7 Å²	54.7	71%	0.713	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.5	130.6	175.4	61.9	-176.2	178.7	-176.3	-0.4	110.8	R113	R109-R113 WeakPolarHBondContact CA-O 3.39Å
110	G	86.3	Confident	93.5	Very high	45 Å²	45	53 Å²	53	46%	0.464	28%	0.278	S	S	.	.			trans	-83.9	-168.6	168.2	0	0	0	0	0	111.9	M112 R113	G110-M112 VanDerWaalsContact C-N 3.29Å; G110-M112 PolarHBondContact O-N 2.9Å; G110-R113 PolarHBondContact N-O 3.2Å
111	A	87	Confident	93.3	Very high	105 Å²	105	53.2 Å²	53.2	87%	0.868	28%	0.28	S	S	*	.	S	Bend	trans	-66.5	-29.9	178.2	0	0	0	0	0	113.5
112	M	91.6	Very high	93.1	Very high	113 Å²	113	55.5 Å²	55.5	56%	0.557	29%	0.293	S	S	*	.	S	Bend	trans	-122.3	-19.9	-173.9	-59.4	-173.1	-62.5	0	0	113.9	G110 Y141 I142	G110-M112 VanDerWaalsContact C-N 3.29Å; G110-M112 PolarHBondContact O-N 2.9Å; M112-Y141 HydrophobicContact CB-CD1 4.46Å; M112-Y141 HydrophobicContact CB-CE1 4.43Å; M112-Y141 WeakPolarHBondContact O-CA 3.4Å; M112-I142 PolarHBondContact O-N 3.05Å
113	R	94.9	Very high	92.7	Very high	34 Å²	34	62 Å²	62	13%	0.128	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143	-168.2	-70.4	174.3	-73.5	168.9	1.1	111.9	R109 G110 K139 R140 Y141 D252	R109-R113 WeakPolarHBondContact CA-O 3.39Å; G110-R113 PolarHBondContact N-O 3.2Å; R113-K139 HydrophobicContact CB-CB 4.39Å; R113-R140 CarbonylContact C-O 3.52Å; R113-R140 WeakPolarHBondContact CA-O 3.27Å; R113-R140 VanDerWaalsContact CB-O 3.29Å; R113-R140 WeakPolarHBondContact CB-O 3.41Å; R113-Y141 HydrophobicContact CG-CD1 4.04Å; R113-Y141 HydrophobicContact CG-CE1 4.26Å; R113-Y141 HydrophobicContact CG-CG 4.21Å; R113-D252 IonicContact CZ-OD1 2.74Å; R113-D252 VanDerWaalsContact CZ-OD1 3.27Å; R113-D252 IonicContact CZ-OD2 2.75Å; R113-D252 IonicContact NH1-OD1 2.69Å; R113-D252 PolarHBondContact NH1-OD1 3.26Å; R113-D252 IonicContact NH1-OD2 2.8Å; R113-D252 IonicContact NH2-OD1 3.49Å; R113-D252 PolarHBondContact NH2-OD1 3.5Å; R113-D252 IonicContact NH2-OD2 3.22Å; R113-D252 PolarHBondContact NH2-OD2 3.4Å; R113-D252 VanDerWaalsContact NH2-OD2 3.11Å
114	E	96.3	Very high	92.3	Very high	39 Å²	39	65.8 Å²	65.8	18%	0.182	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	143.1	170.3	-53.8	-174.1	126.9	0	0	109.8	P106 Y116 K139 R140 I142	P106-E114 HydrophobicContact CB-CB 3.89Å; P106-E114 HydrophobicContact CG-CB 4.3Å; E114-Y116 HydrophobicContact CB-CE2 3.93Å; E114-Y116 PolarHBondContact OE2-OH 2.59Å; E114-Y116 VanDerWaalsContact OE2-OH 3.14Å; E114-K139 VanDerWaalsContact O-CA 3.25Å; E114-K139 WeakPolarHBondContact O-CA 3.35Å; E114-R140 HydrophobicContact CB-CG 4.48Å; E114-R140 PolarHBondContact N-O 3.31Å; E114-R140 PolarHBondContact O-N 3.03Å; E114-R140 VanDerWaalsContact O-N 3.08Å; E114-R140 IonicContact OE2-CZ 3.23Å; E114-R140 IonicContact OE2-NE 2.68Å; E114-R140 PolarHBondContact OE2-NE 3.43Å; E114-R140 VanDerWaalsContact OE2-NE 3.1Å; E114-R140 IonicContact OE2-NH2 3.92Å; E114-R140 PolarHBondContact OE2-NH2 3.43Å; E114-I142 HydrophobicContact CG-CG1 3.65Å
115	C	95.7	Very high	91.8	Very high	18 Å²	18	64.6 Å²	64.6	12%	0.122	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.4	-175.9	-63.5	0	0	0	0	111.3	P106 F107 D108 V137 A138	P106-C115 CarbonylContact C-O 3.52Å; P106-C115 WeakPolarHBondContact CA-O 3.22Å; P106-C115 VanDerWaalsContact CB-O 3.31Å; P106-C115 WeakPolarHBondContact CB-O 3.34Å; F107-C115 HydrophobicContact CD1-CB 4.35Å; F107-C115 WeakPolarHBondContact CD1-O 3.21Å; F107-C115 HydrophobicContact CE1-CB 3.82Å; F107-C115 HydrophobicContact CZ-CB 4.11Å; F107-C115 PolarHBondContact N-O 2.98Å; D108-C115 HydrophobicContact CB-CB 4.2Å; D108-C115 PolarHBondContact N-O 3.25Å; D108-C115 WeakPolarHBondContact O-CB 3.43Å; D108-C115 PolarHBondContact O-N 3.07Å; C115-V137 HydrophobicContact CB-CG1 3.9Å; C115-A138 CarbonylContact C-O 3.51Å; C115-A138 WeakPolarHBondContact CA-O 3.29Å
116	Y	96.4	Very high	91	Very high	4 Å²	4	68 Å²	68	2%	0.016	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	143.7	180	-63.3	-98	0	0	0	109.7	I102 E103 H105 P106 E114 V137 A138 R140 Y195	I102-Y116 HydrophobicContact CD1-CD1 4.49Å; I102-Y116 HydrophobicContact CD1-CG 4.16Å; I102-Y116 HydrophobicContact CG1-CG 4.46Å; E103-Y116 WeakPolarHBondContact O-CD1 3.3Å; H105-Y116 VanDerWaalsContact C-CE1 3.46Å; P106-Y116 HydrophobicContact CB-CD1 4.4Å; P106-Y116 HydrophobicContact CB-CD2 4.45Å; P106-Y116 HydrophobicContact CB-CE1 3.97Å; P106-Y116 HydrophobicContact CB-CE2 3.98Å; P106-Y116 WeakPolarHBondContact CD-OH 3.38Å; P106-Y116 HydrophobicContact CG-CE1 4.32Å; P106-Y116 VanDerWaalsContact N-CE1 3.26Å; E114-Y116 HydrophobicContact CB-CE2 3.93Å; E114-Y116 PolarHBondContact OE2-OH 2.59Å; E114-Y116 VanDerWaalsContact OE2-OH 3.14Å; Y116-V137 WeakPolarHBondContact O-CA 3.38Å; Y116-A138 PolarHBondContact N-O 3.21Å; Y116-A138 PolarHBondContact O-N 3.12Å; Y116-R140 HydrophobicContact CE2-CG 4.04Å; Y116-R140 PolarHBondContact OH-NE 2.96Å; Y116-R140 VanDerWaalsContact OH-NE 3.08Å; Y116-R140 PolarHBondContact OH-NH2 3.06Å; Y116-Y195 HydrophobicContact CD2-CD1 4.22Å; Y116-Y195 AromaticContact CD2-CE1 3.79Å; Y116-Y195 HydrophobicContact CD2-CE1 3.79Å; Y116-Y195 AromaticContact CE2-CE1 3.87Å; Y116-Y195 HydrophobicContact CE2-CE1 3.87Å; Y116-Y195 HydrophobicContact CG-CE1 4.43Å
117	R	95.5	Very high	90.3	Very high	47 Å²	47	70.8 Å²	70.8	18%	0.177	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	135.7	168.7	-59.2	-170.5	-175.4	87.5	2.3	109.1	W68 L73 I102 E103 F107	W68-R117 HydrophobicContact CD2-CB 4.44Å; W68-R117 HydrophobicContact CD2-CG 4.19Å; W68-R117 HydrophobicContact CE3-CB 3.99Å; W68-R117 HydrophobicContact CE3-CG 4.22Å; W68-R117 HydrophobicContact CH2-CB 3.89Å; W68-R117 HydrophobicContact CH2-CG 3.81Å; W68-R117 HydrophobicContact CZ2-CB 4.35Å; W68-R117 HydrophobicContact CZ2-CG 3.77Å; W68-R117 HydrophobicContact CZ3-CB 3.7Å; W68-R117 HydrophobicContact CZ3-CG 4.04Å; L73-R117 HydrophobicContact CD1-CB 3.97Å; L73-R117 HydrophobicContact CD2-CB 4Å; L73-R117 HydrophobicContact CG-CB 4.49Å; I102-R117 WeakPolarHBondContact CA-O 3.08Å; E103-R117 HydrophobicContact CG-CB 4.28Å; E103-R117 PolarHBondContact N-O 3.46Å; E103-R117 WeakPolarHBondContact OE1-CD 3.34Å; E103-R117 IonicContact OE1-NH1 3.11Å; E103-R117 PolarHBondContact OE1-NH1 3.06Å; E103-R117 WeakPolarHBondContact OE2-CG 3.34Å; E103-R117 IonicContact OE2-CZ 2.66Å; E103-R117 IonicContact OE2-NH1 3.84Å; E103-R117 PolarHBondContact OE2-NH1 3.25Å; F107-R117 HydrophobicContact CB-CG 4.36Å; F107-R117 VanDerWaalsContact CB-CZ 3.4Å; F107-R117 HydrophobicContact CD1-CB 4.42Å; F107-R117 HydrophobicContact CD1-CG 3.44Å; F107-R117 VanDerWaalsContact CD1-CG 3.44Å; F107-R117 HydrophobicContact CE1-CG 3.8Å; F107-R117 HydrophobicContact CG-CG 3.91Å
118	L	95.4	Very high	89.9	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	139.2	-178.4	-174.7	146.3	0	0	0	109.9	V100 K101 I102 K120 Y136 A138 I184 I197	V100-L118 HydrophobicContact CB-CD1 3.91Å; V100-L118 HydrophobicContact CB-CD2 4.12Å; V100-L118 HydrophobicContact CB-CG 4.06Å; V100-L118 HydrophobicContact CG1-CD1 4.06Å; V100-L118 HydrophobicContact CG1-CD2 3.94Å; V100-L118 HydrophobicContact CG1-CG 4.35Å; V100-L118 HydrophobicContact CG2-CD1 4.26Å; K101-L118 CarbonylContact O-C 3.51Å; K101-L118 VanDerWaalsContact O-CA 3.29Å; K101-L118 WeakPolarHBondContact O-CA 3.43Å; I102-L118 HydrophobicContact CB-CD1 4.13Å; I102-L118 HydrophobicContact CB-CG 4.41Å; I102-L118 HydrophobicContact CD1-CD1 4.15Å; I102-L118 HydrophobicContact CG1-CB 4.38Å; I102-L118 HydrophobicContact CG1-CD1 4.2Å; L118-K120 HydrophobicContact CD2-CB 3.81Å; L118-Y136 HydrophobicContact CD2-CG 4.23Å; L118-Y136 PolarHBondContact N-O 3.46Å; L118-Y136 WeakPolarHBondContact O-CA 3.45Å; L118-Y136 PolarHBondContact O-N 2.97Å; L118-A138 HydrophobicContact CB-CB 4.24Å; L118-A138 HydrophobicContact CD1-CB 3.87Å; L118-I184 HydrophobicContact CD1-CD1 3.68Å; L118-I197 HydrophobicContact CD1-CG2 4.15Å
119	K	94	Very high	89.6	Confident	4 Å²	4	67.9 Å²	67.9	2%	0.017	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.3	159.4	-69.5	-157.2	173.7	-138.5	0	109.2	D66 L73 V100 K101 W130 G131 E133 N135	D66-K119 WeakPolarHBondContact OD2-CE 3.27Å; D66-K119 IonicContact OD2-NZ 3Å; D66-K119 PolarHBondContact OD2-NZ 3.3Å; L73-K119 HydrophobicContact CB-CD 4.44Å; L73-K119 HydrophobicContact CB-CG 4.28Å; L73-K119 HydrophobicContact CD1-CG 4.32Å; V100-K119 CarbonylContact C-O 3.49Å; V100-K119 VanDerWaalsContact CA-O 3.24Å; V100-K119 WeakPolarHBondContact CA-O 3.41Å; K101-K119 PolarHBondContact N-O 2.88Å; K101-K119 PolarHBondContact O-N 2.81Å; K119-W130 HydrophobicContact CB-CE3 3.9Å; K119-W130 HydrophobicContact CB-CZ3 4.11Å; K119-W130 WeakPolarHBondContact CD-O 3.27Å; K119-W130 VanDerWaalsContact CE-O 3.29Å; K119-W130 WeakPolarHBondContact CE-O 3.36Å; K119-W130 PolarHBondContact NZ-O 3.26Å; K119-G131 PolarHBondContact NZ-O 2.96Å; K119-E133 HydrophobicContact CD-CB 4.48Å; K119-E133 PolarHBondContact NZ-O 3.41Å; K119-N135 VanDerWaalsContact CE-OD1 3.26Å; K119-N135 WeakPolarHBondContact CE-OD1 3.49Å
120	K	93	Very high	89.4	Confident	6 Å²	6	60 Å²	60	3%	0.026	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.1	-179	173.7	-171.9	162.8	-85.5	0	109.6	V98 Y99 V100 L118 D122 Y136 I197 D365	V98-K120 HydrophobicContact CB-CG 4.44Å; Y99-K120 WeakPolarHBondContact O-CA 3.38Å; V100-K120 HydrophobicContact CG1-CB 4.41Å; V100-K120 HydrophobicContact CG1-CG 4.47Å; L118-K120 HydrophobicContact CD2-CB 3.81Å; K120-D122 WeakPolarHBondContact CE-OD1 3.37Å; K120-D122 IonicContact NZ-OD1 2.99Å; K120-D122 PolarHBondContact NZ-OD1 2.84Å; K120-D122 IonicContact NZ-OD2 2.86Å; K120-D122 PolarHBondContact NZ-OD2 3.43Å; K120-Y136 HydrophobicContact CB-CD2 3.68Å; K120-Y136 HydrophobicContact CB-CE2 3.81Å; K120-Y136 HydrophobicContact CB-CG 4.37Å; K120-Y136 HydrophobicContact CD-CE2 4.1Å; K120-Y136 HydrophobicContact CG-CE2 4.48Å; K120-I197 HydrophobicContact CD-CD1 4.14Å; K120-D365 IonicContact NZ-OD1 3.66Å; K120-D365 PolarHBondContact NZ-OD1 3.29Å
121	S	92.4	Very high	89.3	Confident	6 Å²	6	59.6 Å²	59.6	4%	0.042	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	149.8	164.1	-161.5	0	0	0	0	111.3	Y99 K123 E133	Y99-S121 PolarHBondContact N-O 3.1Å; Y99-S121 PolarHBondContact O-N 3.2Å; S121-K123 VanDerWaalsContact C-N 3.31Å; S121-K123 PolarHBondContact OG-N 2.94Å; S121-E133 VanDerWaalsContact CA-OE2 3.29Å; S121-E133 WeakPolarHBondContact CA-OE2 3.41Å; S121-E133 WeakPolarHBondContact CB-OE2 3.3Å; S121-E133 PolarHBondContact OG-OE2 2.89Å
122	D	90.4	Very high	89.1	Confident	67 Å²	67	61.6 Å²	61.6	36%	0.358	31%	0.31	S	S	.	.	S	Bend	trans	-85.1	-8.1	172.4	-63.3	-46.7	0	0	0	112.2	R83 K120	R83-D122 IonicContact NH2-OD1 3.24Å; K120-D122 WeakPolarHBondContact CE-OD1 3.37Å; K120-D122 IonicContact NZ-OD1 2.99Å; K120-D122 PolarHBondContact NZ-OD1 2.84Å; K120-D122 IonicContact NZ-OD2 2.86Å; K120-D122 PolarHBondContact NZ-OD2 3.43Å
123	K	87.2	Confident	88.8	Confident	139 Å²	139	58.7 Å²	58.7	60%	0.604	30%	0.295	S	S	*	.			trans	-118	147.6	-178.8	-63.8	177	-176.1	171.7	0	110.8	S121 V128	S121-K123 VanDerWaalsContact C-N 3.31Å; S121-K123 PolarHBondContact OG-N 2.94Å; K123-V128 HydrophobicContact CB-CG2 4.03Å
124	N	84.4	Confident	88.3	Confident	99 Å²	99	61.5 Å²	61.5	53%	0.529	31%	0.311	S	S	.	.			trans	-117.9	67.8	171.1	-171.3	16.6	0	0	0	109.9	Y99	Y99-N124 HydrophobicContact CD1-CB 3.55Å; Y99-N124 HydrophobicContact CD2-CB 3.63Å; Y99-N124 HydrophobicContact CE1-CB 3.35Å; Y99-N124 VanDerWaalsContact CE1-ND2 3.26Å; Y99-N124 WeakPolarHBondContact CE1-ND2 3.46Å; Y99-N124 HydrophobicContact CE2-CB 3.45Å; Y99-N124 VanDerWaalsContact CE2-CB 3.45Å; Y99-N124 HydrophobicContact CG-CB 3.66Å
125	D	81.6	Confident	88.1	Confident	86 Å²	86	60.7 Å²	60.7	46%	0.46	31%	0.308	S	S	.	.			trans	-118.9	150.9	174.8	-172.1	6.3	0	0	0	109.2	T127 V128	D125-T127 WeakPolarHBondContact CB-OG1 3.4Å; D125-T127 PolarHBondContact O-N 3.31Å; D125-T127 VanDerWaalsContact O-N 3.12Å; D125-T127 VanDerWaalsContact OD2-CG2 3.32Å; D125-T127 WeakPolarHBondContact OD2-CG2 3.33Å; D125-T127 PolarHBondContact OD2-OG1 3.01Å; D125-V128 HydrophobicContact CB-CG2 4.46Å; D125-V128 WeakPolarHBondContact O-CB 3.39Å; D125-V128 VanDerWaalsContact O-CG2 3.23Å; D125-V128 WeakPolarHBondContact O-CG2 3.45Å; D125-V128 PolarHBondContact O-N 3.28Å
126	K	78.1	Confident	88.1	Confident	212 Å²	212	60.4 Å²	60.4	92%	0.922	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.3	173.4	-62.6	-175.9	-179	-179.2	0	112.4	V128	K126-V128 VanDerWaalsContact C-N 3.3Å
127	T	81	Confident	88	Confident	107 Å²	107	60.9 Å²	60.9	66%	0.656	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-9.4	174.9	63	0	0	0	0	113.7	D125 D129	D125-T127 WeakPolarHBondContact CB-OG1 3.4Å; D125-T127 PolarHBondContact O-N 3.31Å; D125-T127 VanDerWaalsContact O-N 3.12Å; D125-T127 VanDerWaalsContact OD2-CG2 3.32Å; D125-T127 WeakPolarHBondContact OD2-CG2 3.33Å; D125-T127 PolarHBondContact OD2-OG1 3.01Å; T127-D129 PolarHBondContact O-N 3.43Å; T127-D129 VanDerWaalsContact O-N 3.16Å
128	V	83.8	Confident	88.1	Confident	19 Å²	19	58.6 Å²	58.6	12%	0.115	30%	0.299	C	S	.	.			trans	-66.7	115.2	-179.8	175.9	0	0	0	0	109.9	K123 D125 K126 W130 E133	K123-V128 HydrophobicContact CB-CG2 4.03Å; D125-V128 HydrophobicContact CB-CG2 4.46Å; D125-V128 WeakPolarHBondContact O-CB 3.39Å; D125-V128 VanDerWaalsContact O-CG2 3.23Å; D125-V128 WeakPolarHBondContact O-CG2 3.45Å; D125-V128 PolarHBondContact O-N 3.28Å; K126-V128 VanDerWaalsContact C-N 3.3Å; V128-W130 HydrophobicContact CG1-CD2 4.1Å; V128-W130 HydrophobicContact CG1-CG 4.27Å; V128-W130 HydrophobicContact CG1-CZ2 4.19Å; V128-W130 PolarHBondContact O-N 3.05Å; V128-W130 VanDerWaalsContact O-N 3.16Å; V128-E133 HydrophobicContact CG1-CG 3.76Å
129	D	86.3	Confident	88.2	Confident	86 Å²	86	59.3 Å²	59.3	46%	0.46	30%	0.302	S	S	.	.			trans	-84.5	86.4	174	-173.6	-4.6	0	0	0	110.5	T127 G131 H132 E133	T127-D129 PolarHBondContact O-N 3.43Å; T127-D129 VanDerWaalsContact O-N 3.16Å; D129-G131 PolarHBondContact O-N 3.45Å; D129-G131 WeakPolarHBondContact OD1-CA 3.19Å; D129-G131 PolarHBondContact OD1-N 3.47Å; D129-H132 PolarHBondContact O-N 2.98Å; D129-H132 IonicContact OD1-ND1 3.73Å; D129-H132 IonicContact OD2-CE1 3.22Å; D129-H132 PolarHBondContact OD2-CE1 2.97Å; D129-H132 IonicContact OD2-CG 2.7Å; D129-H132 IonicContact OD2-ND1 3.39Å; D129-H132 PolarHBondContact OD2-ND1 3.24Å; D129-E133 PolarHBondContact O-N 3.33Å; D129-E133 VanDerWaalsContact O-N 3.1Å
130	W	87.1	Confident	88.3	Confident	25 Å²	25	63.1 Å²	63.1	10%	0.095	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-18.2	175.8	-67.8	93.4	0	0	0	113.9	V78 K101 K119 V128 H132 E133	V78-W130 HydrophobicContact CB-CZ2 4.3Å; V78-W130 HydrophobicContact CG1-CH2 4.26Å; V78-W130 HydrophobicContact CG1-CZ2 3.82Å; V78-W130 HydrophobicContact CG2-CH2 4.39Å; V78-W130 HydrophobicContact CG2-CZ2 3.5Å; K101-W130 HydrophobicContact CB-CE3 4.34Å; K101-W130 HydrophobicContact CB-CZ3 4.28Å; K101-W130 HydrophobicContact CD-CB 4.47Å; K101-W130 HydrophobicContact CD-CD2 3.63Å; K101-W130 HydrophobicContact CD-CE3 3.77Å; K101-W130 HydrophobicContact CD-CG 3.94Å; K101-W130 HydrophobicContact CD-CZ3 4.3Å; K101-W130 HydrophobicContact CG-CD2 4.09Å; K101-W130 HydrophobicContact CG-CE3 3.86Å; K101-W130 HydrophobicContact CG-CH2 4.12Å; K101-W130 HydrophobicContact CG-CZ2 4.35Å; K101-W130 HydrophobicContact CG-CZ3 3.87Å; K119-W130 HydrophobicContact CB-CE3 3.9Å; K119-W130 HydrophobicContact CB-CZ3 4.11Å; K119-W130 WeakPolarHBondContact CD-O 3.27Å; K119-W130 VanDerWaalsContact CE-O 3.29Å; K119-W130 WeakPolarHBondContact CE-O 3.36Å; K119-W130 PolarHBondContact NZ-O 3.26Å; V128-W130 HydrophobicContact CG1-CD2 4.1Å; V128-W130 HydrophobicContact CG1-CG 4.27Å; V128-W130 HydrophobicContact CG1-CZ2 4.19Å; V128-W130 PolarHBondContact O-N 3.05Å; V128-W130 VanDerWaalsContact O-N 3.16Å; W130-H132 VanDerWaalsContact C-N 3.3Å; W130-E133 HydrophobicContact CD2-CG 4.47Å; W130-E133 HydrophobicContact CE3-CB 4.35Å; W130-E133 HydrophobicContact CE3-CG 4.16Å
131	G	82.6	Confident	88.5	Confident	36 Å²	36	64.3 Å²	64.3	37%	0.371	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-37	171.3	0	0	0	0	0	112	K119 D129	K119-G131 PolarHBondContact NZ-O 2.96Å; D129-G131 PolarHBondContact O-N 3.45Å; D129-G131 WeakPolarHBondContact OD1-CA 3.19Å; D129-G131 PolarHBondContact OD1-N 3.47Å
132	H	82.7	Confident	88.7	Confident	146 Å²	146	67.9 Å²	67.9	68%	0.676	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-8.9	-176.8	-68.3	90.7	0	0	0	114.4	D129 W130 M134	D129-H132 PolarHBondContact O-N 2.98Å; D129-H132 IonicContact OD1-ND1 3.73Å; D129-H132 IonicContact OD2-CE1 3.22Å; D129-H132 PolarHBondContact OD2-CE1 2.97Å; D129-H132 IonicContact OD2-CG 2.7Å; D129-H132 IonicContact OD2-ND1 3.39Å; D129-H132 PolarHBondContact OD2-ND1 3.24Å; W130-H132 VanDerWaalsContact C-N 3.3Å; H132-M134 WeakPolarHBondContact O-CE 3.44Å
133	E	85.6	Confident	88.9	Confident	53 Å²	53	69.2 Å²	69.2	25%	0.248	35%	0.35	C	S	.	.	S	Bend	trans	-60.4	147.6	171.3	-65.9	-60	129.4	0	0	111.4	K119 S121 V128 D129 W130	K119-E133 HydrophobicContact CD-CB 4.48Å; K119-E133 PolarHBondContact NZ-O 3.41Å; S121-E133 VanDerWaalsContact CA-OE2 3.29Å; S121-E133 WeakPolarHBondContact CA-OE2 3.41Å; S121-E133 WeakPolarHBondContact CB-OE2 3.3Å; S121-E133 PolarHBondContact OG-OE2 2.89Å; V128-E133 HydrophobicContact CG1-CG 3.76Å; D129-E133 PolarHBondContact O-N 3.33Å; D129-E133 VanDerWaalsContact O-N 3.1Å; W130-E133 HydrophobicContact CD2-CG 4.47Å; W130-E133 HydrophobicContact CE3-CB 4.35Å; W130-E133 HydrophobicContact CE3-CG 4.16Å
134	M	85.3	Confident	89.2	Confident	93 Å²	93	71 Å²	71	46%	0.458	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-67.1	143.2	-173.2	-65.1	-64.7	101	0	0	112.5	H132 Y136	H132-M134 WeakPolarHBondContact O-CE 3.44Å; M134-Y136 HydrophobicContact CB-CD2 4.3Å; M134-Y136 HydrophobicContact CB-CE2 3.81Å; M134-Y136 WeakPolarHBondContact O-CD2 3.09Å
135	N	92.1	Very high	89.7	Confident	22 Å²	22	68.8 Å²	68.8	12%	0.118	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	131.5	174.9	-70.2	-23.4	0	0	0	111.4	D66 W68 K119 F200	D66-N135 PolarHBondContact OD1-ND2 3.13Å; W68-N135 HydrophobicContact CD2-CB 4.38Å; W68-N135 HydrophobicContact CE3-CB 3.67Å; W68-N135 HydrophobicContact CH2-CB 4.32Å; W68-N135 HydrophobicContact CZ3-CB 3.63Å; K119-N135 VanDerWaalsContact CE-OD1 3.26Å; K119-N135 WeakPolarHBondContact CE-OD1 3.49Å; N135-F200 HydrophobicContact CB-CB 3.78Å; N135-F200 HydrophobicContact CB-CD1 4.46Å; N135-F200 HydrophobicContact CB-CG 4.46Å; N135-F200 PolarHBondContact O-N 3.37Å
136	Y	95.1	Very high	90.4	Very high	12 Å²	12	69.3 Å²	69.3	5%	0.047	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151.8	177.5	-79.5	-97.5	0	0	0	110	W68 L118 K120 M134 I197 E198 R199 D365	W68-Y136 VanDerWaalsContact CH2-O 3.25Å; W68-Y136 WeakPolarHBondContact CH2-O 3.34Å; W68-Y136 VanDerWaalsContact CZ3-O 3.27Å; W68-Y136 WeakPolarHBondContact CZ3-O 3.41Å; L118-Y136 HydrophobicContact CD2-CG 4.23Å; L118-Y136 PolarHBondContact N-O 3.46Å; L118-Y136 WeakPolarHBondContact O-CA 3.45Å; L118-Y136 PolarHBondContact O-N 2.97Å; K120-Y136 HydrophobicContact CB-CD2 3.68Å; K120-Y136 HydrophobicContact CB-CE2 3.81Å; K120-Y136 HydrophobicContact CB-CG 4.37Å; K120-Y136 HydrophobicContact CD-CE2 4.1Å; K120-Y136 HydrophobicContact CG-CE2 4.48Å; M134-Y136 HydrophobicContact CB-CD2 4.3Å; M134-Y136 HydrophobicContact CB-CE2 3.81Å; M134-Y136 WeakPolarHBondContact O-CD2 3.09Å; Y136-I197 HydrophobicContact CD1-CB 4.28Å; Y136-I197 HydrophobicContact CD1-CD1 4.41Å; Y136-E198 CarbonylContact C-O 3.59Å; Y136-E198 VanDerWaalsContact CA-O 3.24Å; Y136-E198 WeakPolarHBondContact CA-O 3.44Å; Y136-E198 WeakPolarHBondContact CB-O 3.45Å; Y136-E198 WeakPolarHBondContact CD1-O 3.42Å; Y136-R199 HydrophobicContact CD1-CG 4.39Å; Y136-R199 HydrophobicContact CE1-CG 3.77Å; Y136-R199 HydrophobicContact CE2-CG 4.47Å; Y136-D365 PolarHBondContact OH-OD2 3.43Å
137	V	95.2	Very high	91.2	Very high	13 Å²	13	62.9 Å²	62.9	8%	0.079	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.7	166.3	178.5	0	0	0	0	107.3	W68 F107 C115 Y116 K139 I197 E198 F200	W68-V137 HydrophobicContact CH2-CG2 4.09Å; W68-V137 HydrophobicContact CZ2-CG2 4.49Å; F107-V137 HydrophobicContact CE1-CG1 4.22Å; F107-V137 HydrophobicContact CE1-CG2 4.45Å; F107-V137 HydrophobicContact CZ-CG1 4.4Å; F107-V137 HydrophobicContact CZ-CG2 4.24Å; C115-V137 HydrophobicContact CB-CG1 3.9Å; Y116-V137 WeakPolarHBondContact O-CA 3.38Å; V137-K139 HydrophobicContact CG1-CG 4.05Å; V137-I197 WeakPolarHBondContact O-CA 3.28Å; V137-E198 PolarHBondContact N-O 3.1Å; V137-E198 PolarHBondContact O-N 3.31Å; V137-F200 HydrophobicContact CG2-CB 4.27Å; V137-F200 HydrophobicContact CG2-CD2 3.9Å
138	A	97.5	Very high	92	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131	169.6	0	0	0	0	0	109.6	I102 C115 Y116 L118 Y195 H196 I197	I102-A138 HydrophobicContact CD1-CB 3.88Å; C115-A138 CarbonylContact C-O 3.51Å; C115-A138 WeakPolarHBondContact CA-O 3.29Å; Y116-A138 PolarHBondContact N-O 3.21Å; Y116-A138 PolarHBondContact O-N 3.12Å; L118-A138 HydrophobicContact CB-CB 4.24Å; L118-A138 HydrophobicContact CD1-CB 3.87Å; A138-Y195 HydrophobicContact CB-CD1 3.99Å; A138-Y195 HydrophobicContact CB-CG 4.29Å; A138-H196 CarbonylContact C-O 3.54Å; A138-H196 VanDerWaalsContact CA-O 3.24Å; A138-H196 WeakPolarHBondContact CA-O 3.37Å; A138-I197 HydrophobicContact CB-CG2 3.86Å
139	K	97.1	Very high	92.6	Very high	15 Å²	15	63.4 Å²	63.4	7%	0.065	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.3	-179.2	-55.3	-179.3	-175.2	165.1	0	110.5	R113 E114 V137 Y195 H196 E198 D252	R113-K139 HydrophobicContact CB-CB 4.39Å; E114-K139 VanDerWaalsContact O-CA 3.25Å; E114-K139 WeakPolarHBondContact O-CA 3.35Å; V137-K139 HydrophobicContact CG1-CG 4.05Å; K139-Y195 CarbonylContact O-C 3.43Å; K139-Y195 VanDerWaalsContact O-CA 3.23Å; K139-Y195 WeakPolarHBondContact O-CA 3.31Å; K139-H196 HydrophobicContact CB-CB 4.31Å; K139-H196 PolarHBondContact N-O 3.46Å; K139-H196 PolarHBondContact O-N 3.04Å; K139-E198 WeakPolarHBondContact CE-OE1 3.34Å; K139-E198 IonicContact NZ-OE1 3.88Å; K139-E198 PolarHBondContact NZ-OE1 3.23Å; K139-D252 IonicContact NZ-OD1 3.81Å; K139-D252 IonicContact NZ-OD2 3.52Å; K139-D252 PolarHBondContact NZ-OD2 2.95Å
140	R	96.6	Very high	93.1	Very high	83 Å²	83	60.3 Å²	60.3	31%	0.313	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	153.8	169.5	73.9	179.8	175	-171.5	12.8	110.6	R113 E114 Y116 Y195	R113-R140 CarbonylContact C-O 3.52Å; R113-R140 WeakPolarHBondContact CA-O 3.27Å; R113-R140 VanDerWaalsContact CB-O 3.29Å; R113-R140 WeakPolarHBondContact CB-O 3.41Å; E114-R140 HydrophobicContact CB-CG 4.48Å; E114-R140 PolarHBondContact N-O 3.31Å; E114-R140 PolarHBondContact O-N 3.03Å; E114-R140 VanDerWaalsContact O-N 3.08Å; E114-R140 IonicContact OE2-CZ 3.23Å; E114-R140 IonicContact OE2-NE 2.68Å; E114-R140 PolarHBondContact OE2-NE 3.43Å; E114-R140 VanDerWaalsContact OE2-NE 3.1Å; E114-R140 IonicContact OE2-NH2 3.92Å; E114-R140 PolarHBondContact OE2-NH2 3.43Å; Y116-R140 HydrophobicContact CE2-CG 4.04Å; Y116-R140 PolarHBondContact OH-NE 2.96Å; Y116-R140 VanDerWaalsContact OH-NE 3.08Å; Y116-R140 PolarHBondContact OH-NH2 3.06Å; R140-Y195 HydrophobicContact CB-CD1 3.81Å; R140-Y195 HydrophobicContact CB-CE1 3.83Å; R140-Y195 HydrophobicContact CB-CG 4.5Å; R140-Y195 HydrophobicContact CG-CD1 4.4Å; R140-Y195 HydrophobicContact CG-CE1 4Å; R140-Y195 PolarHBondContact NH1-OH 3.17Å
141	Y	97.1	Very high	93.6	Very high	31 Å²	31	60.2 Å²	60.2	12%	0.122	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	141.3	173.2	-77.3	-85	0	0	0	111.7	M112 R113 T143 V145 T149 Y150 D153 H196	M112-Y141 HydrophobicContact CB-CD1 4.46Å; M112-Y141 HydrophobicContact CB-CE1 4.43Å; M112-Y141 WeakPolarHBondContact O-CA 3.4Å; R113-Y141 HydrophobicContact CG-CD1 4.04Å; R113-Y141 HydrophobicContact CG-CE1 4.26Å; R113-Y141 HydrophobicContact CG-CG 4.21Å; Y141-T143 VanDerWaalsContact C-N 3.3Å; Y141-T143 VanDerWaalsContact CB-O 3.25Å; Y141-T143 WeakPolarHBondContact CB-O 3.41Å; Y141-V145 HydrophobicContact CD1-CG1 3.94Å; Y141-V145 HydrophobicContact CD1-CG2 4.46Å; Y141-V145 HydrophobicContact CD2-CB 4.45Å; Y141-V145 HydrophobicContact CD2-CG1 4.33Å; Y141-V145 HydrophobicContact CD2-CG2 3.35Å; Y141-V145 HydrophobicContact CE1-CG1 4.47Å; Y141-V145 HydrophobicContact CE2-CG2 3.91Å; Y141-V145 HydrophobicContact CG-CB 4.42Å; Y141-V145 HydrophobicContact CG-CG1 3.85Å; Y141-V145 HydrophobicContact CG-CG2 3.66Å; Y141-T149 HydrophobicContact CE2-CG2 3.97Å; Y141-Y150 HydrophobicContact CD2-CD2 4.35Å; Y141-Y150 HydrophobicContact CD2-CE1 4.11Å; Y141-Y150 AromaticContact CD2-CE2 3.81Å; Y141-Y150 HydrophobicContact CD2-CE2 3.81Å; Y141-Y150 AromaticContact CD2-CZ 3.66Å; Y141-Y150 HydrophobicContact CE2-CE2 4.45Å; Y141-Y150 PolarHBondContact N-OH 3.42Å; Y141-D153 WeakPolarHBondContact CE2-OD2 3.42Å; Y141-D153 VanDerWaalsContact OH-CG 3.27Å; Y141-D153 PolarHBondContact OH-OD1 3.04Å; Y141-D153 PolarHBondContact OH-OD2 2.93Å; Y141-H196 AromaticContact CE2-CE1 3.88Å
142	I	95.9	Very high	94.2	Very high	82 Å²	82	62.3 Å²	62.3	42%	0.421	31%	0.307	S	S	.	.	S	Bend	trans	-68.4	-34.3	175.4	-66.7	164.9	0	0	0	110.4	M112 E114	M112-I142 PolarHBondContact O-N 3.05Å; E114-I142 HydrophobicContact CG-CG1 3.65Å
143	T	94.9	Very high	94.9	Very high	95 Å²	95	56.8 Å²	56.8	58%	0.583	28%	0.283	S	S	*	.	S	Bend	trans	-104.4	153.9	176.3	54.8	0	0	0	0	110.5	Y141 V145	Y141-T143 VanDerWaalsContact C-N 3.3Å; Y141-T143 VanDerWaalsContact CB-O 3.25Å; Y141-T143 WeakPolarHBondContact CB-O 3.41Å; T143-V145 PolarHBondContact O-N 2.87Å
144	D	93.4	Very high	95.5	Very high	175 Å²	175	54.3 Å²	54.3	94%	0.936	27%	0.271	S	S	*	.			trans	-63.5	123.4	171.8	-66.2	-36.7	0	0	0	109.9
145	V	95.2	Very high	96	Very high	54 Å²	54	54.2 Å²	54.2	33%	0.327	27%	0.266	S	S	.	.			trans	-124	164.4	176	-60.6	0	0	0	0	109.6	Y141 T143 T149 Y150	Y141-V145 HydrophobicContact CD1-CG1 3.94Å; Y141-V145 HydrophobicContact CD1-CG2 4.46Å; Y141-V145 HydrophobicContact CD2-CB 4.45Å; Y141-V145 HydrophobicContact CD2-CG1 4.33Å; Y141-V145 HydrophobicContact CD2-CG2 3.35Å; Y141-V145 HydrophobicContact CE1-CG1 4.47Å; Y141-V145 HydrophobicContact CE2-CG2 3.91Å; Y141-V145 HydrophobicContact CG-CB 4.42Å; Y141-V145 HydrophobicContact CG-CG1 3.85Å; Y141-V145 HydrophobicContact CG-CG2 3.66Å; T143-V145 PolarHBondContact O-N 2.87Å; V145-T149 HydrophobicContact CG2-CG2 4.44Å; V145-Y150 HydrophobicContact CG2-CD2 4.11Å; V145-Y150 HydrophobicContact CG2-CE2 3.65Å
146	N	95.6	Very high	96.3	Very high	96 Å²	96	53.4 Å²	53.4	51%	0.513	26%	0.261	S	S	.	.			trans	-64	143.7	174.5	-165.4	-1.6	0	0	0	110.7	E148 T149	N146-E148 PolarHBondContact ND2-OE2 3Å; N146-E148 PolarHBondContact O-N 3.11Å; N146-E148 PolarHBondContact OD1-OE2 3.38Å; N146-T149 VanDerWaalsContact O-CB 3.23Å; N146-T149 WeakPolarHBondContact O-CB 3.49Å; N146-T149 PolarHBondContact O-N 3.36Å; N146-T149 PolarHBondContact O-OG1 3.31Å
147	R	96.4	Very high	96.4	Very high	77 Å²	77	53.1 Å²	53.1	29%	0.291	26%	0.26	S	S	.	.	H	α-helix	trans	-49.5	-45	172.2	165.6	161.4	-165.5	126.9	-2.5	111.2	Y84 T149 Y150 F151 E185 L194	Y84-R147 PolarHBondContact OH-NH2 2.87Å; R147-T149 PolarHBondContact O-N 3.06Å; R147-Y150 WeakPolarHBondContact O-CB 3.38Å; R147-Y150 PolarHBondContact O-N 3.4Å; R147-Y150 VanDerWaalsContact O-N 3.09Å; R147-F151 HydrophobicContact CG-CD2 4.18Å; R147-F151 HydrophobicContact CG-CE2 3.81Å; R147-F151 WeakPolarHBondContact O-CD2 3.12Å; R147-E185 IonicContact CZ-OE1 3.51Å; R147-E185 IonicContact CZ-OE2 3.98Å; R147-E185 IonicContact NH1-OE1 2.61Å; R147-E185 PolarHBondContact NH1-OE1 2.96Å; R147-E185 IonicContact NH1-OE2 2.83Å; R147-E185 PolarHBondContact NH1-OE2 3.09Å; R147-E185 IonicContact NH2-OE1 2.83Å; R147-E185 IonicContact NH2-OE2 3.27Å; R147-E185 PolarHBondContact NH2-OE2 3.32Å; R147-L194 HydrophobicContact CB-CD1 4.19Å; R147-L194 HydrophobicContact CG-CD1 3.63Å
148	E	96.2	Very high	96.5	Very high	99 Å²	99	53.1 Å²	53.1	46%	0.463	26%	0.26	S	S	.	.	H	α-helix	trans	-57.8	-31.3	-178.2	-75.5	71	-125.3	0	0	113	N146 Y150 F151 E152	N146-E148 PolarHBondContact ND2-OE2 3Å; N146-E148 PolarHBondContact O-N 3.11Å; N146-E148 PolarHBondContact OD1-OE2 3.38Å; E148-Y150 VanDerWaalsContact C-N 3.29Å; E148-Y150 PolarHBondContact O-N 3.5Å; E148-F151 WeakPolarHBondContact O-CA 3.47Å; E148-F151 WeakPolarHBondContact O-CB 3.3Å; E148-F151 PolarHBondContact O-N 2.91Å; E148-E152 WeakPolarHBondContact O-CG 3.34Å; E148-E152 PolarHBondContact O-N 3.17Å
149	T	96.1	Very high	96.4	Very high	38 Å²	38	53.4 Å²	53.4	23%	0.233	26%	0.261	C	S	.	.	H	α-helix	trans	-56.6	-42.6	176.2	-52.9	0	0	0	0	111.5	Y141 V145 N146 R147 F151 E152 D153	Y141-T149 HydrophobicContact CE2-CG2 3.97Å; V145-T149 HydrophobicContact CG2-CG2 4.44Å; N146-T149 VanDerWaalsContact O-CB 3.23Å; N146-T149 WeakPolarHBondContact O-CB 3.49Å; N146-T149 PolarHBondContact O-N 3.36Å; N146-T149 PolarHBondContact O-OG1 3.31Å; R147-T149 PolarHBondContact O-N 3.06Å; T149-F151 PolarHBondContact O-N 3.08Å; T149-E152 PolarHBondContact O-N 2.89Å; T149-D153 PolarHBondContact O-N 3.34Å
150	Y	97.6	Very high	96.5	Very high	22 Å²	22	52.7 Å²	52.7	9%	0.086	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-38.2	176.6	-77.9	-96.9	0	0	0	112.2	Y141 V145 R147 E148 V154 L194 H196	Y141-Y150 HydrophobicContact CD2-CD2 4.35Å; Y141-Y150 HydrophobicContact CD2-CE1 4.11Å; Y141-Y150 AromaticContact CD2-CE2 3.81Å; Y141-Y150 HydrophobicContact CD2-CE2 3.81Å; Y141-Y150 AromaticContact CD2-CZ 3.66Å; Y141-Y150 HydrophobicContact CE2-CE2 4.45Å; Y141-Y150 PolarHBondContact N-OH 3.42Å; V145-Y150 HydrophobicContact CG2-CD2 4.11Å; V145-Y150 HydrophobicContact CG2-CE2 3.65Å; R147-Y150 WeakPolarHBondContact O-CB 3.38Å; R147-Y150 PolarHBondContact O-N 3.4Å; R147-Y150 VanDerWaalsContact O-N 3.09Å; E148-Y150 VanDerWaalsContact C-N 3.29Å; E148-Y150 PolarHBondContact O-N 3.5Å; Y150-V154 WeakPolarHBondContact O-CG2 3.34Å; Y150-V154 PolarHBondContact O-N 2.91Å; Y150-L194 HydrophobicContact CD1-CB 3.93Å; Y150-L194 HydrophobicContact CD2-CB 4.11Å; Y150-L194 HydrophobicContact CD2-CD1 4.11Å; Y150-L194 HydrophobicContact CE1-CB 4Å; Y150-L194 WeakPolarHBondContact CE1-O 3.4Å; Y150-L194 HydrophobicContact CE2-CB 4.17Å; Y150-L194 HydrophobicContact CG-CB 3.99Å; Y150-L194 HydrophobicContact CG-CD1 4.17Å; Y150-L194 PolarHBondContact OH-O 3.02Å; Y150-H196 WeakPolarHBondContact CA-NE2 3.36Å; Y150-H196 AromaticContact CD1-CD2 3.92Å; Y150-H196 AromaticContact CD1-CE1 3.45Å; Y150-H196 VanDerWaalsContact CD1-CE1 3.45Å; Y150-H196 WeakPolarHBondContact CD1-CE1 3.4Å; Y150-H196 AromaticContact CD1-ND1 3.82Å; Y150-H196 AromaticContact CD1-NE2 3.52Å; Y150-H196 AromaticContact CE1-CE1 3.99Å; Y150-H196 AromaticContact CG-NE2 3.97Å; Y150-H196 PolarHBondContact O-NE2 2.84Å
151	F	97.5	Very high	96.5	Very high	23 Å²	23	49.7 Å²	49.7	10%	0.101	25%	0.247	C	C	.	.	H	α-helix	trans	-77.2	-35.5	-179	-71	-101.1	0	0	0	111.6	Y84 W93 R147 E148 T149 V154 R155 V183 L194	Y84-F151 AromaticContact CD1-CE1 3.84Å; Y84-F151 HydrophobicContact CD1-CE1 3.84Å; Y84-F151 HydrophobicContact CD1-CZ 4.21Å; Y84-F151 HydrophobicContact CD2-CE1 4.06Å; Y84-F151 AromaticContact CD2-CZ 3.83Å; Y84-F151 HydrophobicContact CD2-CZ 3.83Å; Y84-F151 HydrophobicContact CE1-CE1 4.47Å; Y84-F151 HydrophobicContact CE2-CZ 4.16Å; Y84-F151 AromaticContact CG-CE1 3.6Å; Y84-F151 HydrophobicContact CG-CE1 3.6Å; Y84-F151 AromaticContact CG-CZ 3.86Å; Y84-F151 HydrophobicContact CG-CZ 3.86Å; W93-F151 HydrophobicContact CD2-CD1 4.18Å; W93-F151 HydrophobicContact CE3-CD1 4.01Å; W93-F151 HydrophobicContact CE3-CE1 4.32Å; W93-F151 HydrophobicContact CH2-CB 3.83Å; W93-F151 AromaticContact CH2-CD1 3.41Å; W93-F151 HydrophobicContact CH2-CD1 3.41Å; W93-F151 VanDerWaalsContact CH2-CD1 3.41Å; W93-F151 HydrophobicContact CH2-CE1 4.34Å; W93-F151 HydrophobicContact CH2-CG 4Å; W93-F151 WeakPolarHBondContact CH2-O 3.42Å; W93-F151 HydrophobicContact CZ2-CB 3.7Å; W93-F151 AromaticContact CZ2-CD1 3.63Å; W93-F151 HydrophobicContact CZ2-CD1 3.63Å; W93-F151 HydrophobicContact CZ2-CG 4.14Å; W93-F151 WeakPolarHBondContact CZ2-O 3.48Å; W93-F151 AromaticContact CZ3-CD1 3.63Å; W93-F151 HydrophobicContact CZ3-CD1 3.63Å; W93-F151 HydrophobicContact CZ3-CE1 4.13Å; R147-F151 HydrophobicContact CG-CD2 4.18Å; R147-F151 HydrophobicContact CG-CE2 3.81Å; R147-F151 WeakPolarHBondContact O-CD2 3.12Å; E148-F151 WeakPolarHBondContact O-CA 3.47Å; E148-F151 WeakPolarHBondContact O-CB 3.3Å; E148-F151 PolarHBondContact O-N 2.91Å; T149-F151 PolarHBondContact O-N 3.08Å; F151-V154 PolarHBondContact O-N 2.81Å; F151-R155 WeakPolarHBondContact O-CG 3.48Å; F151-R155 PolarHBondContact O-N 3.34Å; F151-V183 HydrophobicContact CE2-CG1 4.33Å; F151-V183 HydrophobicContact CZ-CB 4.48Å; F151-V183 HydrophobicContact CZ-CG1 4.34Å; F151-L194 HydrophobicContact CE2-CD1 3.98Å
152	E	96.2	Very high	96.3	Very high	79 Å²	79	48.5 Å²	48.5	37%	0.369	24%	0.243	S	C	.	.	H	α-helix	trans	-64.1	-43.1	174.7	-72.9	176.3	179.6	0	0	112	E148 T149 V154 R155 L156	E148-E152 WeakPolarHBondContact O-CG 3.34Å; E148-E152 PolarHBondContact O-N 3.17Å; T149-E152 PolarHBondContact O-N 2.89Å; E152-V154 VanDerWaalsContact C-N 3.3Å; E152-V154 PolarHBondContact O-N 3.02Å; E152-R155 WeakPolarHBondContact O-CB 3.48Å; E152-R155 PolarHBondContact O-N 2.96Å; E152-R155 VanDerWaalsContact O-N 3.11Å; E152-L156 WeakPolarHBondContact O-CB 3.47Å; E152-L156 PolarHBondContact O-N 2.93Å
153	D	96.7	Very high	96.3	Very high	31 Å²	31	44.6 Å²	44.6	17%	0.166	22%	0.223	C	C	.	.	H	α-helix	trans	-58.8	-42.5	175.8	-63.8	-28.4	0	0	0	111.9	Y141 T149 L156 Q157 H196	Y141-D153 WeakPolarHBondContact CE2-OD2 3.42Å; Y141-D153 VanDerWaalsContact OH-CG 3.27Å; Y141-D153 PolarHBondContact OH-OD1 3.04Å; Y141-D153 PolarHBondContact OH-OD2 2.93Å; T149-D153 PolarHBondContact O-N 3.34Å; D153-L156 WeakPolarHBondContact O-CB 3.17Å; D153-L156 PolarHBondContact O-N 3.42Å; D153-Q157 PolarHBondContact O-N 3.47Å; D153-H196 IonicContact OD2-CE1 3.14Å; D153-H196 PolarHBondContact OD2-CE1 3.27Å; D153-H196 IonicContact OD2-NE2 3.84Å; D153-H196 PolarHBondContact OD2-NE2 3.11Å
154	V	97.3	Very high	96.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-40.8	176.5	169.3	0	0	0	0	111	W93 Y150 F151 E152 L156 M158 V181 V183	W93-V154 HydrophobicContact CH2-CB 3.85Å; W93-V154 HydrophobicContact CH2-CG1 3.7Å; W93-V154 HydrophobicContact CZ3-CB 4.47Å; W93-V154 HydrophobicContact CZ3-CG1 3.95Å; Y150-V154 WeakPolarHBondContact O-CG2 3.34Å; Y150-V154 PolarHBondContact O-N 2.91Å; F151-V154 PolarHBondContact O-N 2.81Å; E152-V154 VanDerWaalsContact C-N 3.3Å; E152-V154 PolarHBondContact O-N 3.02Å; V154-L156 VanDerWaalsContact C-N 3.35Å; V154-M158 HydrophobicContact CG1-CG 4.19Å; V154-M158 VanDerWaalsContact O-CB 3.27Å; V154-M158 WeakPolarHBondContact O-CB 3.47Å; V154-M158 WeakPolarHBondContact O-CG 3.45Å; V154-M158 PolarHBondContact O-N 3.25Å; V154-V181 HydrophobicContact CB-CG1 4.17Å; V154-V181 HydrophobicContact CG1-CG1 4.19Å; V154-V181 WeakPolarHBondContact CG1-O 3.41Å; V154-V181 HydrophobicContact CG2-CB 4.49Å; V154-V181 HydrophobicContact CG2-CG1 3.88Å; V154-V181 HydrophobicContact CG2-CG2 4.06Å; V154-V183 HydrophobicContact CG2-CG2 3.68Å
155	R	97.1	Very high	96.3	Very high	92 Å²	92	33.5 Å²	33.5	35%	0.347	16%	0.159	S	C	.	.	H	α-helix	trans	-59.8	-47.8	174.3	-70.2	173	-161.6	154.1	3.7	111	Y86 W93 F151 E152 M158 D159	Y86-R155 HydrophobicContact CD1-CB 4.21Å; Y86-R155 HydrophobicContact CD1-CG 3.88Å; Y86-R155 HydrophobicContact CD2-CG 4.11Å; Y86-R155 HydrophobicContact CE1-CB 4.09Å; Y86-R155 HydrophobicContact CE1-CG 3.86Å; Y86-R155 HydrophobicContact CE2-CG 4.12Å; Y86-R155 HydrophobicContact CG-CG 3.99Å; W93-R155 HydrophobicContact CZ2-CG 3.75Å; F151-R155 WeakPolarHBondContact O-CG 3.48Å; F151-R155 PolarHBondContact O-N 3.34Å; E152-R155 WeakPolarHBondContact O-CB 3.48Å; E152-R155 PolarHBondContact O-N 2.96Å; E152-R155 VanDerWaalsContact O-N 3.11Å; R155-M158 PolarHBondContact O-N 2.91Å; R155-D159 WeakPolarHBondContact O-CB 3.4Å; R155-D159 VanDerWaalsContact O-CG 3.28Å; R155-D159 PolarHBondContact O-N 3.46Å
156	L	97.6	Very high	96	Very high	5 Å²	5	31 Å²	31	3%	0.026	14%	0.143	C	C	.	.	H	α-helix	trans	-54.4	-57.3	177.8	-170.6	172.4	0	0	0	111.1	E152 D153 V154 M158 D159 A160 P253 I255 Y263	E152-L156 WeakPolarHBondContact O-CB 3.47Å; E152-L156 PolarHBondContact O-N 2.93Å; D153-L156 WeakPolarHBondContact O-CB 3.17Å; D153-L156 PolarHBondContact O-N 3.42Å; V154-L156 VanDerWaalsContact C-N 3.35Å; L156-M158 VanDerWaalsContact C-N 3.29Å; L156-M158 PolarHBondContact O-N 2.98Å; L156-D159 PolarHBondContact O-N 3.48Å; L156-A160 WeakPolarHBondContact O-CB 3.21Å; L156-A160 PolarHBondContact O-N 3.48Å; L156-P253 HydrophobicContact CD2-CG 4.03Å; L156-P253 WeakPolarHBondContact CD2-O 3.45Å; L156-I255 HydrophobicContact CD2-CD1 4.22Å; L156-I255 HydrophobicContact CD2-CG1 3.94Å; L156-I255 HydrophobicContact CG-CD1 4.29Å; L156-I255 HydrophobicContact CG-CG1 4.18Å; L156-Y263 HydrophobicContact CB-CD1 3.7Å; L156-Y263 HydrophobicContact CB-CE1 4.42Å; L156-Y263 HydrophobicContact CD1-CD1 4.36Å; L156-Y263 WeakPolarHBondContact CD1-O 3.47Å; L156-Y263 HydrophobicContact CG-CD1 3.69Å; L156-Y263 HydrophobicContact CG-CG 4.22Å
157	Q	97.4	Very high	95.9	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.028	12%	0.119	C	C	.	.	H	α-helix	trans	-63.7	-36.8	-175.3	-179.2	165.4	-21.1	0	0	111.9	D153 A160 K161 I178 F179 V181 P253	D153-Q157 PolarHBondContact O-N 3.47Å; Q157-A160 PolarHBondContact O-N 3.31Å; Q157-K161 PolarHBondContact O-N 3.49Å; Q157-I178 HydrophobicContact CG-CG2 3.64Å; Q157-F179 PolarHBondContact NE2-O 3.46Å; Q157-V181 HydrophobicContact CB-CG1 3.71Å; Q157-V181 VanDerWaalsContact CD-CG1 3.48Å; Q157-V181 HydrophobicContact CG-CG1 3.77Å; Q157-P253 HydrophobicContact CB-CG 4.4Å; Q157-P253 HydrophobicContact CG-CG 4.3Å
158	M	97	Very high	95.6	Very high	13 Å²	13	24.2 Å²	24.2	6%	0.064	11%	0.113	C	C	.	.	H	α-helix	trans	-73	-33.5	177.2	-67	-56.3	-57.3	0	0	113.1	Y86 V154 R155 L156 K161 L162 Q180	Y86-M158 HydrophobicContact CD1-CB 3.99Å; V154-M158 HydrophobicContact CG1-CG 4.19Å; V154-M158 VanDerWaalsContact O-CB 3.27Å; V154-M158 WeakPolarHBondContact O-CB 3.47Å; V154-M158 WeakPolarHBondContact O-CG 3.45Å; V154-M158 PolarHBondContact O-N 3.25Å; R155-M158 PolarHBondContact O-N 2.91Å; L156-M158 VanDerWaalsContact C-N 3.29Å; L156-M158 PolarHBondContact O-N 2.98Å; M158-K161 HydrophobicContact CE-CD 4.15Å; M158-K161 WeakPolarHBondContact O-CB 3.49Å; M158-K161 PolarHBondContact O-N 2.8Å; M158-L162 PolarHBondContact O-N 3.26Å; M158-Q180 HydrophobicContact CE-CG 4.03Å; M158-Q180 HydrophobicContact SD-CB 4.15Å; M158-Q180 HydrophobicContact SD-CG 4.13Å
159	D	96.4	Very high	95.2	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.027	10%	0.102	C	C	.	.	H	α-helix	trans	-67.4	-43.8	171.1	-77.1	-4.3	0	0	0	111	S88 R155 L156 K161 L162 W163 I255 Y263 M337 R341	S88-D159 VanDerWaalsContact CB-OD1 3.32Å; S88-D159 WeakPolarHBondContact CB-OD1 3.28Å; S88-D159 PolarHBondContact OG-OD1 3.07Å; R155-D159 WeakPolarHBondContact O-CB 3.4Å; R155-D159 VanDerWaalsContact O-CG 3.28Å; R155-D159 PolarHBondContact O-N 3.46Å; L156-D159 PolarHBondContact O-N 3.48Å; D159-K161 PolarHBondContact O-N 2.9Å; D159-L162 WeakPolarHBondContact O-CB 3.23Å; D159-L162 PolarHBondContact O-N 3Å; D159-W163 PolarHBondContact O-N 3.37Å; D159-I255 HydrophobicContact CB-CD1 4.17Å; D159-Y263 HydrophobicContact CB-CE1 4.21Å; D159-Y263 WeakPolarHBondContact OD2-CE1 3.4Å; D159-Y263 PolarHBondContact OD2-OH 3.13Å; D159-M337 HydrophobicContact CB-CE 3.59Å; D159-M337 HydrophobicContact CB-SD 4.11Å; D159-M337 WeakPolarHBondContact OD1-CE 3.41Å; D159-R341 IonicContact OD2-NH2 2.89Å
160	A	97.9	Very high	94.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.3	-35.8	173.5	0	0	0	0	0	111.7	L156 Q157 L162 W163 A164 I178 V240 P253 I255	L156-A160 WeakPolarHBondContact O-CB 3.21Å; L156-A160 PolarHBondContact O-N 3.48Å; Q157-A160 PolarHBondContact O-N 3.31Å; A160-L162 VanDerWaalsContact C-N 3.35Å; A160-L162 PolarHBondContact O-N 3.49Å; A160-W163 WeakPolarHBondContact O-CB 3.33Å; A160-W163 PolarHBondContact O-N 3.04Å; A160-W163 VanDerWaalsContact O-N 3.13Å; A160-A164 PolarHBondContact O-N 2.8Å; A160-I178 VanDerWaalsContact C-CD1 3.44Å; A160-I178 HydrophobicContact CB-CD1 3.8Å; A160-I178 VanDerWaalsContact O-CD1 3.3Å; A160-I178 WeakPolarHBondContact O-CD1 3.42Å; A160-V240 HydrophobicContact CB-CG1 3.9Å; A160-V240 HydrophobicContact CB-CG2 4.47Å; A160-P253 HydrophobicContact CB-CB 4.09Å; A160-P253 HydrophobicContact CB-CG 3.51Å; A160-I255 HydrophobicContact CB-CD1 4.27Å
161	K	96.8	Very high	94	Very high	20 Å²	20	23.5 Å²	23.5	9%	0.087	11%	0.107	C	C	.	.	H	α-helix	trans	-60.3	-40	172.9	-172.9	-176.7	178.4	67.9	0	112.5	Q157 M158 D159 W163 A164 E165 D177 I178 Q180	Q157-K161 PolarHBondContact O-N 3.49Å; M158-K161 HydrophobicContact CE-CD 4.15Å; M158-K161 WeakPolarHBondContact O-CB 3.49Å; M158-K161 PolarHBondContact O-N 2.8Å; D159-K161 PolarHBondContact O-N 2.9Å; K161-W163 VanDerWaalsContact C-N 3.26Å; K161-W163 PolarHBondContact O-N 2.59Å; K161-A164 WeakPolarHBondContact O-CB 3.27Å; K161-A164 PolarHBondContact O-N 3.22Å; K161-A164 VanDerWaalsContact O-N 3.15Å; K161-E165 PolarHBondContact O-N 3.48Å; K161-D177 VanDerWaalsContact NZ-CG 3.29Å; K161-D177 IonicContact NZ-OD1 3.6Å; K161-D177 PolarHBondContact NZ-OD1 3.36Å; K161-D177 IonicContact NZ-OD2 3.66Å; K161-D177 PolarHBondContact NZ-OD2 3Å; K161-I178 HydrophobicContact CB-CB 4.04Å; K161-I178 HydrophobicContact CB-CG2 4.31Å; K161-I178 WeakPolarHBondContact CD-O 3.45Å; K161-I178 HydrophobicContact CG-CB 4.33Å; K161-I178 PolarHBondContact NZ-O 3.34Å; K161-Q180 HydrophobicContact CD-CG 3.94Å
162	L	93.5	Very high	93.5	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.031	11%	0.105	C	C	.	.	H	α-helix	trans	-62.4	-36.3	174.1	-69	-168.4	0	0	0	112.2	S88 V89 M158 D159 A160 E165 E166 V340 R341	S88-L162 WeakPolarHBondContact OG-CD1 3.33Å; S88-L162 WeakPolarHBondContact OG-CG 3.4Å; V89-L162 HydrophobicContact CG2-CD1 4.16Å; V89-L162 HydrophobicContact CG2-CD2 3.67Å; M158-L162 PolarHBondContact O-N 3.26Å; D159-L162 WeakPolarHBondContact O-CB 3.23Å; D159-L162 PolarHBondContact O-N 3Å; A160-L162 VanDerWaalsContact C-N 3.35Å; A160-L162 PolarHBondContact O-N 3.49Å; L162-E165 WeakPolarHBondContact O-CB 3.34Å; L162-E165 PolarHBondContact O-N 3.19Å; L162-E166 PolarHBondContact O-N 2.92Å; L162-V340 HydrophobicContact CB-CG1 4.1Å; L162-V340 HydrophobicContact CB-CG2 4.14Å; L162-V340 HydrophobicContact CD1-CG1 4.22Å; L162-R341 HydrophobicContact CD1-CG 3.87Å
163	W	95.5	Very high	93.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.8	-37.1	173.3	-76.4	104.3	0	0	0	112.9	D159 A160 K161 E165 E166 F167 F226 T230 R233 L238 V240 A336 M337 V340	D159-W163 PolarHBondContact O-N 3.37Å; A160-W163 WeakPolarHBondContact O-CB 3.33Å; A160-W163 PolarHBondContact O-N 3.04Å; A160-W163 VanDerWaalsContact O-N 3.13Å; K161-W163 VanDerWaalsContact C-N 3.26Å; K161-W163 PolarHBondContact O-N 2.59Å; W163-E165 VanDerWaalsContact C-N 3.35Å; W163-E166 PolarHBondContact O-N 3.31Å; W163-F167 WeakPolarHBondContact O-CB 3.34Å; W163-F167 PolarHBondContact O-N 3.5Å; W163-F226 HydrophobicContact CB-CE2 4.43Å; W163-F226 HydrophobicContact CB-CZ 4.32Å; W163-T230 HydrophobicContact CB-CG2 3.86Å; W163-T230 HydrophobicContact CD2-CG2 4.28Å; W163-T230 HydrophobicContact CE3-CG2 4.08Å; W163-T230 HydrophobicContact CG-CG2 4.2Å; W163-R233 HydrophobicContact CH2-CG 4.47Å; W163-R233 HydrophobicContact CZ3-CB 3.85Å; W163-R233 HydrophobicContact CZ3-CG 3.66Å; W163-L238 HydrophobicContact CD2-CD1 4.23Å; W163-L238 HydrophobicContact CZ2-CD1 3.87Å; W163-L238 HydrophobicContact CZ2-CD2 3.85Å; W163-L238 HydrophobicContact CZ2-CG 4.13Å; W163-V240 HydrophobicContact CB-CG2 4.05Å; W163-V240 HydrophobicContact CG-CG2 4.1Å; W163-A336 HydrophobicContact CH2-CB 4.22Å; W163-A336 HydrophobicContact CZ2-CB 3.88Å; W163-M337 PolarHBondContact NE1-SD 3.4Å; W163-V340 HydrophobicContact CZ2-CB 4.38Å; W163-V340 HydrophobicContact CZ2-CG1 4.43Å
164	A	96.4	Very high	92.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.7	-41.6	171.2	0	0	0	0	0	112	A160 K161 F167 N168 V176 I178 F226	A160-A164 PolarHBondContact O-N 2.8Å; K161-A164 WeakPolarHBondContact O-CB 3.27Å; K161-A164 PolarHBondContact O-N 3.22Å; K161-A164 VanDerWaalsContact O-N 3.15Å; A164-F167 PolarHBondContact O-N 2.7Å; A164-N168 WeakPolarHBondContact O-CB 3.21Å; A164-N168 PolarHBondContact O-N 2.6Å; A164-N168 PolarHBondContact O-ND2 2.93Å; A164-V176 HydrophobicContact CB-CG2 3.76Å; A164-I178 HydrophobicContact CB-CD1 3.99Å; A164-I178 HydrophobicContact CB-CG1 4.31Å; A164-F226 HydrophobicContact CB-CE2 4.25Å; A164-F226 HydrophobicContact CB-CZ 4.17Å
165	E	92.4	Very high	92.6	Very high	37 Å²	37	28 Å²	28	17%	0.173	13%	0.13	C	C	.	.	H	α-helix	trans	-62.2	-43	173.3	-67.5	178.8	-169.5	0	0	111.6	K161 L162 W163 N168 R169 N369	K161-E165 PolarHBondContact O-N 3.48Å; L162-E165 WeakPolarHBondContact O-CB 3.34Å; L162-E165 PolarHBondContact O-N 3.19Å; W163-E165 VanDerWaalsContact C-N 3.35Å; E165-N168 WeakPolarHBondContact O-CB 3.27Å; E165-N168 PolarHBondContact O-N 2.99Å; E165-R169 WeakPolarHBondContact O-CG 3.22Å; E165-R169 PolarHBondContact O-N 3.29Å; E165-R169 IonicContact OE2-NH2 3.11Å; E165-N369 PolarHBondContact OE1-ND2 2.94Å; E165-N369 PolarHBondContact OE2-ND2 3.15Å
166	E	88.7	Confident	92.5	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-65.2	-41.1	177.5	-174.6	61	-171.5	0	0	112.3	L162 W163 N168 R169 H170 F229 R233 V340	L162-E166 PolarHBondContact O-N 2.92Å; W163-E166 PolarHBondContact O-N 3.31Å; E166-N168 VanDerWaalsContact C-N 3.29Å; E166-N168 PolarHBondContact O-N 3.27Å; E166-R169 WeakPolarHBondContact O-CB 3.49Å; E166-R169 PolarHBondContact O-N 2.86Å; E166-R169 WeakPolarHBondContact OE2-CD 3.5Å; E166-R169 IonicContact OE2-CZ 3.93Å; E166-R169 IonicContact OE2-NH1 3.38Å; E166-R169 PolarHBondContact OE2-NH1 2.98Å; E166-H170 PolarHBondContact O-ND1 3.34Å; E166-H170 IonicContact OE1-CE1 2.95Å; E166-H170 PolarHBondContact OE1-CE1 3.42Å; E166-F229 HydrophobicContact CG-CE1 4.22Å; E166-F229 HydrophobicContact CG-CZ 4.14Å; E166-R233 HydrophobicContact CG-CG 4.17Å; E166-R233 IonicContact OE1-CZ 3.85Å; E166-R233 IonicContact OE1-NE 3.92Å; E166-R233 PolarHBondContact OE1-NE 3.33Å; E166-R233 IonicContact OE1-NH2 2.71Å; E166-R233 PolarHBondContact OE1-NH2 2.99Å; E166-V340 HydrophobicContact CB-CG2 3.82Å; E166-V340 HydrophobicContact CG-CG2 4.28Å
167	F	92.5	Very high	92.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.2	-45.7	170.7	178.9	-105.2	0	0	0	111	W163 A164 R169 H170 P172 V176 T222 F226 F229 I285 L289	W163-F167 WeakPolarHBondContact O-CB 3.34Å; W163-F167 PolarHBondContact O-N 3.5Å; A164-F167 PolarHBondContact O-N 2.7Å; F167-R169 VanDerWaalsContact C-N 3.27Å; F167-R169 PolarHBondContact O-N 2.94Å; F167-H170 PolarHBondContact O-N 3.48Å; F167-H170 VanDerWaalsContact O-N 3.12Å; F167-P172 HydrophobicContact CD1-CB 4.14Å; F167-P172 HydrophobicContact CD1-CG 3.61Å; F167-P172 HydrophobicContact CE1-CB 3.41Å; F167-P172 VanDerWaalsContact CE1-CB 3.41Å; F167-P172 HydrophobicContact CE1-CG 3.34Å; F167-P172 HydrophobicContact CE2-CB 4.22Å; F167-P172 HydrophobicContact CG-CG 4.36Å; F167-P172 HydrophobicContact CZ-CB 3.46Å; F167-P172 VanDerWaalsContact CZ-CB 3.46Å; F167-P172 HydrophobicContact CZ-CG 3.91Å; F167-P172 WeakPolarHBondContact O-CD 3.33Å; F167-V176 HydrophobicContact CD1-CG1 4.21Å; F167-V176 HydrophobicContact CD1-CG2 3.69Å; F167-V176 HydrophobicContact CE1-CG1 3.93Å; F167-V176 HydrophobicContact CE1-CG2 4.27Å; F167-T222 HydrophobicContact CE1-CG2 4.3Å; F167-T222 HydrophobicContact CZ-CG2 4.5Å; F167-F226 HydrophobicContact CB-CD2 3.75Å; F167-F226 HydrophobicContact CB-CE2 3.94Å; F167-F226 HydrophobicContact CD1-CD2 4.09Å; F167-F226 HydrophobicContact CD2-CD2 4.01Å; F167-F226 HydrophobicContact CE2-CB 4.37Å; F167-F226 AromaticContact CG-CD2 3.7Å; F167-F226 HydrophobicContact CG-CD2 3.7Å; F167-F226 HydrophobicContact CG-CE2 4.4Å; F167-F226 HydrophobicContact CZ-CB 4.38Å; F167-F229 VanDerWaalsContact CA-CE1 3.46Å; F167-F229 HydrophobicContact CB-CD1 3.88Å; F167-F229 HydrophobicContact CB-CE1 3.83Å; F167-F229 HydrophobicContact CB-CZ 4.47Å; F167-F229 HydrophobicContact CD2-CB 3.75Å; F167-F229 AromaticContact CD2-CD1 3.67Å; F167-F229 HydrophobicContact CD2-CD1 3.67Å; F167-F229 HydrophobicContact CD2-CD2 4.03Å; F167-F229 HydrophobicContact CD2-CE1 4.27Å; F167-F229 AromaticContact CD2-CG 3.55Å; F167-F229 HydrophobicContact CD2-CG 3.55Å; F167-F229 HydrophobicContact CE2-CB 4.05Å; F167-F229 HydrophobicContact CE2-CG 4.26Å; F167-F229 HydrophobicContact CG-CD1 4.28Å; F167-I285 HydrophobicContact CZ-CG2 4.44Å; F167-L289 HydrophobicContact CD2-CD1 4.18Å; F167-L289 HydrophobicContact CE2-CD1 3.46Å; F167-L289 VanDerWaalsContact CE2-CD1 3.46Å; F167-L289 HydrophobicContact CZ-CD1 4.24Å
168	N	91.8	Very high	92.4	Very high	32 Å²	32	26.3 Å²	26.3	17%	0.171	13%	0.128	C	C	.	.	H	α-helix	trans	-62.9	-29.7	178.4	-73	-22.6	0	0	0	113.5	A164 E165 E166 H170 N171 K175 V176	A164-N168 WeakPolarHBondContact O-CB 3.21Å; A164-N168 PolarHBondContact O-N 2.6Å; A164-N168 PolarHBondContact O-ND2 2.93Å; E165-N168 WeakPolarHBondContact O-CB 3.27Å; E165-N168 PolarHBondContact O-N 2.99Å; E166-N168 VanDerWaalsContact C-N 3.29Å; E166-N168 PolarHBondContact O-N 3.27Å; N168-H170 PolarHBondContact O-N 3.44Å; N168-N171 PolarHBondContact O-N 3.16Å; N168-K175 HydrophobicContact CB-CD 3.89Å; N168-K175 PolarHBondContact O-NZ 3.05Å; N168-K175 WeakPolarHBondContact OD1-CA 3.22Å; N168-K175 WeakPolarHBondContact OD1-CB 3.36Å; N168-K175 WeakPolarHBondContact OD1-CD 3.32Å; N168-V176 PolarHBondContact ND2-O 3.42Å; N168-V176 PolarHBondContact OD1-N 2.91Å
169	R	85.8	Confident	92.2	Very high	60 Å²	60	27 Å²	27	23%	0.226	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-27	176	-70.6	-177.3	-173.3	92.8	9.1	112.4	E165 E166 F167 N171 S344	E165-R169 WeakPolarHBondContact O-CG 3.22Å; E165-R169 PolarHBondContact O-N 3.29Å; E165-R169 IonicContact OE2-NH2 3.11Å; E166-R169 WeakPolarHBondContact O-CB 3.49Å; E166-R169 PolarHBondContact O-N 2.86Å; E166-R169 WeakPolarHBondContact OE2-CD 3.5Å; E166-R169 IonicContact OE2-CZ 3.93Å; E166-R169 IonicContact OE2-NH1 3.38Å; E166-R169 PolarHBondContact OE2-NH1 2.98Å; F167-R169 VanDerWaalsContact C-N 3.27Å; F167-R169 PolarHBondContact O-N 2.94Å; R169-N171 PolarHBondContact O-N 3.11Å; R169-S344 PolarHBondContact NH2-OG 2.98Å
170	H	84.6	Confident	92	Very high	11 Å²	11	29.4 Å²	29.4	5%	0.051	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	15.5	-179.5	-62.8	76.6	0	0	0	113.8	E166 F167 N168 F229 L289	E166-H170 PolarHBondContact O-ND1 3.34Å; E166-H170 IonicContact OE1-CE1 2.95Å; E166-H170 PolarHBondContact OE1-CE1 3.42Å; F167-H170 PolarHBondContact O-N 3.48Å; F167-H170 VanDerWaalsContact O-N 3.12Å; N168-H170 PolarHBondContact O-N 3.44Å; H170-F229 HydrophobicContact CB-CE2 4.38Å; H170-F229 AromaticContact CE1-CE2 3.91Å; H170-F229 AromaticContact CE1-CZ 3.66Å; H170-F229 AromaticContact CG-CE2 3.82Å; H170-F229 AromaticContact ND1-CE2 3.65Å; H170-F229 AromaticContact ND1-CZ 3.46Å; H170-F229 WeakPolarHBondContact ND1-CZ 3.28Å; H170-L289 HydrophobicContact CB-CD2 3.77Å
171	N	85.2	Confident	91.9	Very high	72 Å²	72	29.8 Å²	29.8	39%	0.385	14%	0.144	S	C	.	.			trans	49.3	52.3	177.1	-63.3	-40.4	0	0	0	115.6	N168 R169 K175	N168-N171 PolarHBondContact O-N 3.16Å; R169-N171 PolarHBondContact O-N 3.11Å; N171-K175 PolarHBondContact OD1-NZ 3.4Å
172	P	87.5	Confident	92	Very high	8 Å²	8	29.3 Å²	29.3	5%	0.052	14%	0.144	C	C	.	.			trans	-62.2	157.3	171.2	31	-38.3	0	0	0	110.2	F167 K174 K175	F167-P172 HydrophobicContact CD1-CB 4.14Å; F167-P172 HydrophobicContact CD1-CG 3.61Å; F167-P172 HydrophobicContact CE1-CB 3.41Å; F167-P172 VanDerWaalsContact CE1-CB 3.41Å; F167-P172 HydrophobicContact CE1-CG 3.34Å; F167-P172 HydrophobicContact CE2-CB 4.22Å; F167-P172 HydrophobicContact CG-CG 4.36Å; F167-P172 HydrophobicContact CZ-CB 3.46Å; F167-P172 VanDerWaalsContact CZ-CB 3.46Å; F167-P172 HydrophobicContact CZ-CG 3.91Å; F167-P172 WeakPolarHBondContact O-CD 3.33Å; P172-K174 WeakPolarHBondContact CG-O 3.45Å; P172-K174 PolarHBondContact O-N 3.33Å; P172-K174 VanDerWaalsContact O-N 3.12Å; P172-K175 HydrophobicContact CG-CD 4.34Å
173	P	86.7	Confident	92.2	Very high	49 Å²	49	29 Å²	29	32%	0.318	14%	0.142	S	C	.	.	S	Bend	trans	-59.6	-30.1	-175.8	-27.3	37.9	0	0	0	114	I285 T317 Y319	P173-I285 HydrophobicContact CG-CG1 4.19Å; P173-T317 HydrophobicContact CB-CG2 4.34Å; P173-Y319 HydrophobicContact CB-CD2 4.36Å; P173-Y319 HydrophobicContact CG-CD2 3.49Å; P173-Y319 VanDerWaalsContact CG-CD2 3.49Å; P173-Y319 HydrophobicContact CG-CE2 3.78Å
174	K	90.1	Very high	92.3	Very high	70 Å²	70	29 Å²	29	30%	0.304	14%	0.142	S	C	.	.	S	Bend	trans	-127.4	132.1	170	-60.2	-168	-175.5	-178.1	0	108	P172 T222 D248	P172-K174 WeakPolarHBondContact CG-O 3.45Å; P172-K174 PolarHBondContact O-N 3.33Å; P172-K174 VanDerWaalsContact O-N 3.12Å; K174-T222 HydrophobicContact CB-CG2 4.43Å; K174-D248 WeakPolarHBondContact CD-OD2 3.44Å
175	K	93.5	Very high	92.4	Very high	100 Å²	100	29.7 Å²	29.7	44%	0.435	15%	0.145	S	C	.	.			trans	-71.8	146.9	169.3	-55	-61.6	-177.7	174.7	0	108.8	N168 N171 P172 D248	N168-K175 HydrophobicContact CB-CD 3.89Å; N168-K175 PolarHBondContact O-NZ 3.05Å; N168-K175 WeakPolarHBondContact OD1-CA 3.22Å; N168-K175 WeakPolarHBondContact OD1-CB 3.36Å; N168-K175 WeakPolarHBondContact OD1-CD 3.32Å; N171-K175 PolarHBondContact OD1-NZ 3.4Å; P172-K175 HydrophobicContact CG-CD 4.34Å; K175-D248 WeakPolarHBondContact O-CB 3.33Å
176	V	96.2	Very high	92.7	Very high	3 Å²	3	28 Å²	28	2%	0.018	14%	0.137	C	C	.	.			trans	-113.5	154.4	175.1	-55.9	0	0	0	0	109.4	A164 F167 N168 T222 F226 D248 Y250	A164-V176 HydrophobicContact CB-CG2 3.76Å; F167-V176 HydrophobicContact CD1-CG1 4.21Å; F167-V176 HydrophobicContact CD1-CG2 3.69Å; F167-V176 HydrophobicContact CE1-CG1 3.93Å; F167-V176 HydrophobicContact CE1-CG2 4.27Å; N168-V176 PolarHBondContact ND2-O 3.42Å; N168-V176 PolarHBondContact OD1-N 2.91Å; V176-T222 HydrophobicContact CG1-CG2 3.51Å; V176-F226 HydrophobicContact CG2-CD2 4.23Å; V176-F226 HydrophobicContact CG2-CE2 4.41Å; V176-D248 VanDerWaalsContact CA-O 3.31Å; V176-D248 WeakPolarHBondContact CA-O 3.37Å; V176-D248 HydrophobicContact CG1-CB 4.3Å; V176-Y250 HydrophobicContact CB-CD2 4.25Å; V176-Y250 HydrophobicContact CB-CE2 3.65Å; V176-Y250 HydrophobicContact CG1-CE2 3.67Å; V176-Y250 HydrophobicContact CG2-CE2 4.35Å
177	D	96.5	Very high	93.1	Very high	65 Å²	65	29.7 Å²	29.7	35%	0.348	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	153.4	169.1	-164.5	22.3	0	0	0	110.6	K161 D248 L249 Y250	K161-D177 VanDerWaalsContact NZ-CG 3.29Å; K161-D177 IonicContact NZ-OD1 3.6Å; K161-D177 PolarHBondContact NZ-OD1 3.36Å; K161-D177 IonicContact NZ-OD2 3.66Å; K161-D177 PolarHBondContact NZ-OD2 3Å; D177-D248 PolarHBondContact N-O 2.94Å; D177-L249 HydrophobicContact CB-CD1 3.86Å; D177-Y250 PolarHBondContact O-N 3.46Å
178	I	96.4	Very high	93.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.7	175.4	-69.3	162.1	0	0	0	108.5	Q157 A160 K161 A164 Q180 F226 Y250 P253	Q157-I178 HydrophobicContact CG-CG2 3.64Å; A160-I178 VanDerWaalsContact C-CD1 3.44Å; A160-I178 HydrophobicContact CB-CD1 3.8Å; A160-I178 VanDerWaalsContact O-CD1 3.3Å; A160-I178 WeakPolarHBondContact O-CD1 3.42Å; K161-I178 HydrophobicContact CB-CB 4.04Å; K161-I178 HydrophobicContact CB-CG2 4.31Å; K161-I178 WeakPolarHBondContact CD-O 3.45Å; K161-I178 HydrophobicContact CG-CB 4.33Å; K161-I178 PolarHBondContact NZ-O 3.34Å; A164-I178 HydrophobicContact CB-CD1 3.99Å; A164-I178 HydrophobicContact CB-CG1 4.31Å; I178-Q180 PolarHBondContact O-N 3.04Å; I178-F226 HydrophobicContact CD1-CE1 4.36Å; I178-F226 HydrophobicContact CD1-CZ 4.29Å; I178-Y250 WeakPolarHBondContact CA-O 3.48Å; I178-Y250 HydrophobicContact CG1-CD2 4.4Å; I178-P253 HydrophobicContact CD1-CG 4.48Å; I178-P253 HydrophobicContact CG2-CG 4.4Å
179	F	91.2	Very high	93.5	Very high	29 Å²	29	38.8 Å²	38.8	13%	0.127	19%	0.186	C	C	.	.			trans	-58.2	139.4	-179.7	-93.3	-76.3	0	0	0	112.3	Q157 V181 E198 R199 I201 L249 Y250	Q157-F179 PolarHBondContact NE2-O 3.46Å; F179-V181 PolarHBondContact O-N 3.42Å; F179-E198 HydrophobicContact CB-CB 4.43Å; F179-R199 HydrophobicContact CD1-CB 4.21Å; F179-R199 HydrophobicContact CE1-CB 3.71Å; F179-R199 HydrophobicContact CE1-CG 4.5Å; F179-I201 HydrophobicContact CD2-CD1 3.55Å; F179-I201 HydrophobicContact CD2-CG1 4.05Å; F179-I201 HydrophobicContact CE2-CB 4.5Å; F179-I201 HydrophobicContact CE2-CD1 3.07Å; F179-I201 HydrophobicContact CE2-CG1 3.21Å; F179-I201 HydrophobicContact CZ-CD1 3.92Å; F179-I201 HydrophobicContact CZ-CG1 3.48Å; F179-I201 VanDerWaalsContact CZ-CG1 3.48Å; F179-L249 HydrophobicContact CD2-CD1 4.19Å; F179-L249 HydrophobicContact CD2-CD2 4.41Å; F179-L249 HydrophobicContact CD2-CG 4.01Å; F179-L249 HydrophobicContact CE2-CD1 3.74Å; F179-L249 HydrophobicContact CE2-CD2 3.28Å; F179-L249 HydrophobicContact CE2-CG 3.3Å; F179-L249 HydrophobicContact CZ-CD1 4.17Å; F179-L249 HydrophobicContact CZ-CD2 3.47Å; F179-L249 VanDerWaalsContact CZ-CD2 3.47Å; F179-L249 HydrophobicContact CZ-CG 3.95Å; F179-Y250 PolarHBondContact N-O 3.46Å
180	Q	93.5	Very high	94	Very high	54 Å²	54	45.3 Å²	45.3	25%	0.252	22%	0.219	S	C	.	.			trans	-72.9	127	165.3	-66.1	-177.2	-33.3	0	0	108.4	M158 K161 I178 D365	M158-Q180 HydrophobicContact CE-CG 4.03Å; M158-Q180 HydrophobicContact SD-CB 4.15Å; M158-Q180 HydrophobicContact SD-CG 4.13Å; K161-Q180 HydrophobicContact CD-CG 3.94Å; I178-Q180 PolarHBondContact O-N 3.04Å; Q180-D365 PolarHBondContact OE1-O 2.85Å
181	V	96.1	Very high	94.5	Very high	8 Å²	8	48.3 Å²	48.3	5%	0.048	25%	0.254	C	S	.	.			trans	-115.5	145.7	176.2	61.4	0	0	0	0	108.6	V154 Q157 F179 H196 I197	V154-V181 HydrophobicContact CB-CG1 4.17Å; V154-V181 HydrophobicContact CG1-CG1 4.19Å; V154-V181 WeakPolarHBondContact CG1-O 3.41Å; V154-V181 HydrophobicContact CG2-CB 4.49Å; V154-V181 HydrophobicContact CG2-CG1 3.88Å; V154-V181 HydrophobicContact CG2-CG2 4.06Å; Q157-V181 HydrophobicContact CB-CG1 3.71Å; Q157-V181 VanDerWaalsContact CD-CG1 3.48Å; Q157-V181 HydrophobicContact CG-CG1 3.77Å; F179-V181 PolarHBondContact O-N 3.42Å; V181-H196 HydrophobicContact CG2-CB 3.82Å; V181-I197 WeakPolarHBondContact CA-O 3.48Å
182	S	97.5	Very high	95	Very high	10 Å²	10	50.4 Å²	50.4	7%	0.07	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	158.5	173.8	56.7	0	0	0	0	110.1	Y84 H196 I197	Y84-S182 WeakPolarHBondContact O-CA 3.48Å; Y84-S182 WeakPolarHBondContact O-CB 3.41Å; S182-H196 CarbonylContact O-C 3.51Å; S182-H196 WeakPolarHBondContact O-CA 3.41Å; S182-I197 PolarHBondContact N-O 2.98Å; S182-I197 PolarHBondContact O-N 3.22Å; S182-I197 WeakPolarHBondContact OG-CG1 3.2Å
183	V	98.5	Very high	95.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	134.3	172.8	-176.6	0	0	0	0	108.2	R83 Y84 F151 V154 L194 Y195	R83-V183 CarbonylContact C-O 3.41Å; R83-V183 WeakPolarHBondContact CA-O 3.43Å; Y84-V183 HydrophobicContact CD2-CB 4.26Å; Y84-V183 HydrophobicContact CD2-CG1 4.38Å; Y84-V183 PolarHBondContact N-O 3.13Å; Y84-V183 PolarHBondContact O-N 2.89Å; F151-V183 HydrophobicContact CE2-CG1 4.33Å; F151-V183 HydrophobicContact CZ-CB 4.48Å; F151-V183 HydrophobicContact CZ-CG1 4.34Å; V154-V183 HydrophobicContact CG2-CG2 3.68Å; V183-L194 HydrophobicContact CG1-CB 4.1Å; V183-L194 HydrophobicContact CG1-CD1 4.24Å; V183-L194 HydrophobicContact CG1-CD2 3.86Å; V183-L194 HydrophobicContact CG1-CG 4.29Å; V183-Y195 CarbonylContact C-O 3.54Å; V183-Y195 WeakPolarHBondContact CA-O 2.94Å
184	I	98.4	Very high	96	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.4	163.5	58.7	170.4	0	0	0	110.7	C81 L82 R83 V98 V100 L118 F186 L194 Y195 I197	C81-I184 HydrophobicContact CB-CB 4.17Å; L82-I184 CarbonylContact O-C 3.55Å; L82-I184 VanDerWaalsContact O-CA 3.27Å; L82-I184 WeakPolarHBondContact O-CA 3.49Å; R83-I184 HydrophobicContact CB-CG2 4.11Å; R83-I184 HydrophobicContact CG-CG2 4.19Å; V98-I184 HydrophobicContact CG2-CG2 4.12Å; V100-I184 HydrophobicContact CG1-CD1 4.41Å; L118-I184 HydrophobicContact CD1-CD1 3.68Å; I184-F186 HydrophobicContact CD1-CE2 3.6Å; I184-F186 HydrophobicContact CD1-CZ 3.99Å; I184-F186 HydrophobicContact CG1-CE2 4.13Å; I184-L194 WeakPolarHBondContact O-CA 3.41Å; I184-Y195 PolarHBondContact N-O 2.63Å; I184-Y195 PolarHBondContact O-N 3.44Å; I184-I197 HydrophobicContact CD1-CG2 3.54Å; I184-I197 HydrophobicContact CG1-CG2 3.74Å; I184-I197 HydrophobicContact CG2-CD1 3.46Å; I184-I197 VanDerWaalsContact CG2-CD1 3.46Å; I184-I197 HydrophobicContact CG2-CG1 3.89Å; I184-I197 HydrophobicContact CG2-CG2 4.39Å
185	E	98.5	Very high	96.4	Very high	15 Å²	15	47.1 Å²	47.1	7%	0.07	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.2	174.9	-179.1	171.5	-163.2	0	0	110.2	C81 L82 Y84 R147 V187 K192 L194	C81-E185 VanDerWaalsContact CA-O 3.24Å; C81-E185 WeakPolarHBondContact CA-O 3.42Å; C81-E185 WeakPolarHBondContact CB-O 3.21Å; L82-E185 HydrophobicContact CB-CB 4.44Å; L82-E185 PolarHBondContact N-O 3.3Å; L82-E185 PolarHBondContact O-N 2.97Å; Y84-E185 HydrophobicContact CE2-CB 3.92Å; Y84-E185 PolarHBondContact OH-OE2 2.92Å; R147-E185 IonicContact CZ-OE1 3.51Å; R147-E185 IonicContact CZ-OE2 3.98Å; R147-E185 IonicContact NH1-OE1 2.61Å; R147-E185 PolarHBondContact NH1-OE1 2.96Å; R147-E185 IonicContact NH1-OE2 2.83Å; R147-E185 PolarHBondContact NH1-OE2 3.09Å; R147-E185 IonicContact NH2-OE1 2.83Å; R147-E185 IonicContact NH2-OE2 3.27Å; R147-E185 PolarHBondContact NH2-OE2 3.32Å; E185-V187 VanDerWaalsContact C-N 3.34Å; E185-V187 HydrophobicContact CG-CG1 4.03Å; E185-V187 PolarHBondContact O-N 3.41Å; E185-K192 HydrophobicContact CG-CB 4.14Å; E185-K192 WeakPolarHBondContact OE1-CB 3.15Å; E185-L194 HydrophobicContact CB-CD2 3.46Å; E185-L194 VanDerWaalsContact CB-CD2 3.46Å; E185-L194 HydrophobicContact CG-CD2 3.74Å
186	F	98.1	Very high	96.7	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	22%	0.223	C	C	.	.			trans	-80.3	82	174.9	-73.2	-100.9	0	0	0	109.9	E79 C81 V100 I102 I184 Q188 R189 P193 Y195	E79-F186 HydrophobicContact CB-CD1 4.27Å; E79-F186 HydrophobicContact CB-CE1 4.16Å; E79-F186 WeakPolarHBondContact OE2-CD1 3.48Å; C81-F186 VanDerWaalsContact SG-CD1 3.52Å; V100-F186 HydrophobicContact CG2-CE1 3.73Å; V100-F186 HydrophobicContact CG2-CZ 3.76Å; I102-F186 HydrophobicContact CB-CZ 4.44Å; I102-F186 HydrophobicContact CD1-CZ 4.06Å; I102-F186 HydrophobicContact CG2-CE1 3.97Å; I102-F186 HydrophobicContact CG2-CZ 3.89Å; I184-F186 HydrophobicContact CD1-CE2 3.6Å; I184-F186 HydrophobicContact CD1-CZ 3.99Å; I184-F186 HydrophobicContact CG1-CE2 4.13Å; F186-Q188 PolarHBondContact O-N 3.44Å; F186-Q188 VanDerWaalsContact O-N 3.11Å; F186-R189 HydrophobicContact CB-CB 3.97Å; F186-R189 HydrophobicContact CB-CG 3.84Å; F186-R189 HydrophobicContact CD1-CG 4.3Å; F186-R189 VanDerWaalsContact CD1-NE 3.29Å; F186-R189 HydrophobicContact CG-CG 4.41Å; F186-R189 PolarHBondContact O-N 3.43Å; F186-R189 VanDerWaalsContact O-N 3.08Å; F186-P193 HydrophobicContact CB-CG 4.14Å; F186-P193 PolarHBondContact N-O 3.28Å; F186-Y195 AromaticContact CD2-CD2 3.66Å; F186-Y195 HydrophobicContact CD2-CD2 3.66Å; F186-Y195 AromaticContact CD2-CE2 3.73Å; F186-Y195 HydrophobicContact CD2-CE2 3.73Å; F186-Y195 AromaticContact CE2-CD2 3.39Å; F186-Y195 HydrophobicContact CE2-CD2 3.39Å; F186-Y195 AromaticContact CE2-CE2 3.62Å; F186-Y195 HydrophobicContact CE2-CE2 3.62Å; F186-Y195 HydrophobicContact CE2-CG 4.27Å
187	V	96.1	Very high	96.7	Very high	37 Å²	37	42.4 Å²	42.4	22%	0.224	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.8	-171.9	-65.7	0	0	0	0	114.8	L82 E185	L82-V187 HydrophobicContact CB-CG1 4.33Å; L82-V187 HydrophobicContact CD1-CG1 3.68Å; L82-V187 HydrophobicContact CG-CG1 3.68Å; E185-V187 VanDerWaalsContact C-N 3.34Å; E185-V187 HydrophobicContact CG-CG1 4.03Å; E185-V187 PolarHBondContact O-N 3.41Å
188	Q	96.5	Very high	96.6	Very high	155 Å²	155	39.8 Å²	39.8	72%	0.724	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-11.7	179.1	-57.2	-57.9	-22.8	0	0	113.9	F186	F186-Q188 PolarHBondContact O-N 3.44Å; F186-Q188 VanDerWaalsContact O-N 3.11Å
189	R	96.6	Very high	96.5	Very high	68 Å²	68	43.8 Å²	43.8	26%	0.257	22%	0.224	S	C	.	.	S	Bend	trans	-84.2	148.3	176.9	-70.3	-174.7	-176	-168.7	0.2	110.4	E79 F186 G191 K192 P193	E79-R189 VanDerWaalsContact CD-NH2 3.33Å; E79-R189 IonicContact OE1-CZ 3Å; E79-R189 IonicContact OE1-NE 3.35Å; E79-R189 IonicContact OE1-NH2 2.71Å; E79-R189 PolarHBondContact OE1-NH2 3.47Å; E79-R189 IonicContact OE2-CZ 3.5Å; E79-R189 IonicContact OE2-NE 2.67Å; E79-R189 PolarHBondContact OE2-NE 3.32Å; E79-R189 IonicContact OE2-NH2 3.1Å; E79-R189 PolarHBondContact OE2-NH2 2.83Å; F186-R189 HydrophobicContact CB-CB 3.97Å; F186-R189 HydrophobicContact CB-CG 3.84Å; F186-R189 HydrophobicContact CD1-CG 4.3Å; F186-R189 VanDerWaalsContact CD1-NE 3.29Å; F186-R189 HydrophobicContact CG-CG 4.41Å; F186-R189 PolarHBondContact O-N 3.43Å; F186-R189 VanDerWaalsContact O-N 3.08Å; R189-G191 PolarHBondContact O-N 2.98Å; R189-K192 PolarHBondContact O-N 3.45Å; R189-K192 VanDerWaalsContact O-N 3.08Å; R189-P193 HydrophobicContact CB-CG 4.14Å
190	E	95.9	Very high	96.5	Very high	196 Å²	196	45.2 Å²	45.2	92%	0.916	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	136.8	172.2	-173.2	175.7	-176.2	0	0	110.5	K192	E190-K192 PolarHBondContact O-N 3.39Å
191	G	95.2	Very high	96.1	Very high	75 Å²	75	44.2 Å²	44.2	77%	0.773	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.1	-5.2	-176.5	0	0	0	0	0	115.4	R189	R189-G191 PolarHBondContact O-N 2.98Å
192	K	97.1	Very high	95.5	Very high	116 Å²	116	50.5 Å²	50.5	50%	0.504	26%	0.255	S	S	.	.			trans	47.7	58.2	-179.8	-56.9	-179.3	-178.7	179.7	0	113	E185 R189 E190	E185-K192 HydrophobicContact CG-CB 4.14Å; E185-K192 WeakPolarHBondContact OE1-CB 3.15Å; R189-K192 PolarHBondContact O-N 3.45Å; R189-K192 VanDerWaalsContact O-N 3.08Å; E190-K192 PolarHBondContact O-N 3.39Å
193	P	96.9	Very high	95.1	Very high	39 Å²	39	52.5 Å²	52.5	25%	0.253	28%	0.277	S	S	.	.			trans	-62.1	146.1	-172.5	27.7	-35.5	0	0	0	111.8	F186 R189 Y195	F186-P193 HydrophobicContact CB-CG 4.14Å; F186-P193 PolarHBondContact N-O 3.28Å; R189-P193 HydrophobicContact CB-CG 4.14Å; P193-Y195 HydrophobicContact CB-CE2 4.06Å; P193-Y195 HydrophobicContact CG-CE2 4.29Å
194	L	98.3	Very high	94.6	Very high	14 Å²	14	57.2 Å²	57.2	7%	0.073	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	145.9	178.3	-62.5	-176.9	0	0	0	111.5	R147 Y150 F151 V183 I184 E185	R147-L194 HydrophobicContact CB-CD1 4.19Å; R147-L194 HydrophobicContact CG-CD1 3.63Å; Y150-L194 HydrophobicContact CD1-CB 3.93Å; Y150-L194 HydrophobicContact CD2-CB 4.11Å; Y150-L194 HydrophobicContact CD2-CD1 4.11Å; Y150-L194 HydrophobicContact CE1-CB 4Å; Y150-L194 WeakPolarHBondContact CE1-O 3.4Å; Y150-L194 HydrophobicContact CE2-CB 4.17Å; Y150-L194 HydrophobicContact CG-CB 3.99Å; Y150-L194 HydrophobicContact CG-CD1 4.17Å; Y150-L194 PolarHBondContact OH-O 3.02Å; F151-L194 HydrophobicContact CE2-CD1 3.98Å; V183-L194 HydrophobicContact CG1-CB 4.1Å; V183-L194 HydrophobicContact CG1-CD1 4.24Å; V183-L194 HydrophobicContact CG1-CD2 3.86Å; V183-L194 HydrophobicContact CG1-CG 4.29Å; I184-L194 WeakPolarHBondContact O-CA 3.41Å; E185-L194 HydrophobicContact CB-CD2 3.46Å; E185-L194 VanDerWaalsContact CB-CD2 3.46Å; E185-L194 HydrophobicContact CG-CD2 3.74Å
195	Y	98.3	Very high	94.2	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.016	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	141.4	170.3	-63	-103.8	0	0	0	109.4	I102 Y116 A138 K139 R140 V183 I184 F186 P193	I102-Y195 HydrophobicContact CD1-CD1 4.44Å; I102-Y195 HydrophobicContact CD1-CE1 4.27Å; Y116-Y195 HydrophobicContact CD2-CD1 4.22Å; Y116-Y195 AromaticContact CD2-CE1 3.79Å; Y116-Y195 HydrophobicContact CD2-CE1 3.79Å; Y116-Y195 AromaticContact CE2-CE1 3.87Å; Y116-Y195 HydrophobicContact CE2-CE1 3.87Å; Y116-Y195 HydrophobicContact CG-CE1 4.43Å; A138-Y195 HydrophobicContact CB-CD1 3.99Å; A138-Y195 HydrophobicContact CB-CG 4.29Å; K139-Y195 CarbonylContact O-C 3.43Å; K139-Y195 VanDerWaalsContact O-CA 3.23Å; K139-Y195 WeakPolarHBondContact O-CA 3.31Å; R140-Y195 HydrophobicContact CB-CD1 3.81Å; R140-Y195 HydrophobicContact CB-CE1 3.83Å; R140-Y195 HydrophobicContact CB-CG 4.5Å; R140-Y195 HydrophobicContact CG-CD1 4.4Å; R140-Y195 HydrophobicContact CG-CE1 4Å; R140-Y195 PolarHBondContact NH1-OH 3.17Å; V183-Y195 CarbonylContact C-O 3.54Å; V183-Y195 WeakPolarHBondContact CA-O 2.94Å; I184-Y195 PolarHBondContact N-O 2.63Å; I184-Y195 PolarHBondContact O-N 3.44Å; F186-Y195 AromaticContact CD2-CD2 3.66Å; F186-Y195 HydrophobicContact CD2-CD2 3.66Å; F186-Y195 AromaticContact CD2-CE2 3.73Å; F186-Y195 HydrophobicContact CD2-CE2 3.73Å; F186-Y195 AromaticContact CE2-CD2 3.39Å; F186-Y195 HydrophobicContact CE2-CD2 3.39Å; F186-Y195 AromaticContact CE2-CE2 3.62Å; F186-Y195 HydrophobicContact CE2-CE2 3.62Å; F186-Y195 HydrophobicContact CE2-CG 4.27Å; P193-Y195 HydrophobicContact CB-CE2 4.06Å; P193-Y195 HydrophobicContact CG-CE2 4.29Å
196	H	98	Very high	94	Very high	3 Å²	3	63.9 Å²	63.9	1%	0.014	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	136.7	158	-56.7	117.7	0	0	0	108.7	A138 K139 Y141 Y150 D153 V181 S182	A138-H196 CarbonylContact C-O 3.54Å; A138-H196 VanDerWaalsContact CA-O 3.24Å; A138-H196 WeakPolarHBondContact CA-O 3.37Å; K139-H196 HydrophobicContact CB-CB 4.31Å; K139-H196 PolarHBondContact N-O 3.46Å; K139-H196 PolarHBondContact O-N 3.04Å; Y141-H196 AromaticContact CE2-CE1 3.88Å; Y150-H196 WeakPolarHBondContact CA-NE2 3.36Å; Y150-H196 AromaticContact CD1-CD2 3.92Å; Y150-H196 AromaticContact CD1-CE1 3.45Å; Y150-H196 VanDerWaalsContact CD1-CE1 3.45Å; Y150-H196 WeakPolarHBondContact CD1-CE1 3.4Å; Y150-H196 AromaticContact CD1-ND1 3.82Å; Y150-H196 AromaticContact CD1-NE2 3.52Å; Y150-H196 AromaticContact CE1-CE1 3.99Å; Y150-H196 AromaticContact CG-NE2 3.97Å; Y150-H196 PolarHBondContact O-NE2 2.84Å; D153-H196 IonicContact OD2-CE1 3.14Å; D153-H196 PolarHBondContact OD2-CE1 3.27Å; D153-H196 IonicContact OD2-NE2 3.84Å; D153-H196 PolarHBondContact OD2-NE2 3.11Å; V181-H196 HydrophobicContact CG2-CB 3.82Å; S182-H196 CarbonylContact O-C 3.51Å; S182-H196 WeakPolarHBondContact O-CA 3.41Å
197	I	97.4	Very high	93.8	Very high	1 Å²	1	67.1 Å²	67.1	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.7	169.8	59.4	163.9	0	0	0	111.1	L118 K120 Y136 V137 A138 V181 S182 I184	L118-I197 HydrophobicContact CD1-CG2 4.15Å; K120-I197 HydrophobicContact CD-CD1 4.14Å; Y136-I197 HydrophobicContact CD1-CB 4.28Å; Y136-I197 HydrophobicContact CD1-CD1 4.41Å; V137-I197 WeakPolarHBondContact O-CA 3.28Å; A138-I197 HydrophobicContact CB-CG2 3.86Å; V181-I197 WeakPolarHBondContact CA-O 3.48Å; S182-I197 PolarHBondContact N-O 2.98Å; S182-I197 PolarHBondContact O-N 3.22Å; S182-I197 WeakPolarHBondContact OG-CG1 3.2Å; I184-I197 HydrophobicContact CD1-CG2 3.54Å; I184-I197 HydrophobicContact CG1-CG2 3.74Å; I184-I197 HydrophobicContact CG2-CD1 3.46Å; I184-I197 VanDerWaalsContact CG2-CD1 3.46Å; I184-I197 HydrophobicContact CG2-CG1 3.89Å; I184-I197 HydrophobicContact CG2-CG2 4.39Å
198	E	94.9	Very high	93.8	Very high	11 Å²	11	65.5 Å²	65.5	5%	0.051	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	162.3	171.7	61.4	176.9	-179.3	0	0	109.3	Y136 V137 K139 F179 T251	Y136-E198 CarbonylContact C-O 3.59Å; Y136-E198 VanDerWaalsContact CA-O 3.24Å; Y136-E198 WeakPolarHBondContact CA-O 3.44Å; Y136-E198 WeakPolarHBondContact CB-O 3.45Å; Y136-E198 WeakPolarHBondContact CD1-O 3.42Å; V137-E198 PolarHBondContact N-O 3.1Å; V137-E198 PolarHBondContact O-N 3.31Å; K139-E198 WeakPolarHBondContact CE-OE1 3.34Å; K139-E198 IonicContact NZ-OE1 3.88Å; K139-E198 PolarHBondContact NZ-OE1 3.23Å; F179-E198 HydrophobicContact CB-CB 4.43Å; E198-T251 VanDerWaalsContact CD-OG1 3.32Å; E198-T251 PolarHBondContact OE1-OG1 3.06Å; E198-T251 PolarHBondContact OE2-OG1 3.45Å
199	R	92.9	Very high	93.8	Very high	83 Å²	83	58.2 Å²	58.2	31%	0.313	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	146.6	179.3	-66.4	-177.8	175.3	-173.1	-2.4	110.7	Y136 F179 D365	Y136-R199 HydrophobicContact CD1-CG 4.39Å; Y136-R199 HydrophobicContact CE1-CG 3.77Å; Y136-R199 HydrophobicContact CE2-CG 4.47Å; F179-R199 HydrophobicContact CD1-CB 4.21Å; F179-R199 HydrophobicContact CE1-CB 3.71Å; F179-R199 HydrophobicContact CE1-CG 4.5Å; R199-D365 IonicContact NH2-OD2 3.38Å; R199-D365 PolarHBondContact NH2-OD2 3.06Å
200	F	91	Very high	93.8	Very high	59 Å²	59	55.3 Å²	55.3	26%	0.259	30%	0.298	S	S	.	.			trans	-67	138.1	172.3	175.7	-112.2	0	0	0	111	P67 W68 N135 V137 E202	P67-F200 HydrophobicContact CB-CE1 4.24Å; P67-F200 HydrophobicContact CG-CD1 4.14Å; P67-F200 HydrophobicContact CG-CE1 3.8Å; W68-F200 HydrophobicContact CH2-CB 3.83Å; W68-F200 AromaticContact CH2-CD2 3.84Å; W68-F200 HydrophobicContact CH2-CD2 3.84Å; W68-F200 AromaticContact CH2-CG 3.85Å; W68-F200 HydrophobicContact CH2-CG 3.85Å; W68-F200 HydrophobicContact CZ2-CB 4.03Å; W68-F200 HydrophobicContact CZ2-CD1 4.09Å; W68-F200 AromaticContact CZ2-CD2 3.24Å; W68-F200 HydrophobicContact CZ2-CD2 3.24Å; W68-F200 HydrophobicContact CZ2-CE1 4.4Å; W68-F200 AromaticContact CZ2-CE2 3.62Å; W68-F200 HydrophobicContact CZ2-CE2 3.62Å; W68-F200 AromaticContact CZ2-CG 3.5Å; W68-F200 HydrophobicContact CZ2-CG 3.5Å; W68-F200 VanDerWaalsContact CZ2-CG 3.5Å; W68-F200 HydrophobicContact CZ2-CZ 4.19Å; W68-F200 HydrophobicContact CZ3-CB 4.44Å; W68-F200 AromaticContact NE1-CZ 3.84Å; N135-F200 HydrophobicContact CB-CB 3.78Å; N135-F200 HydrophobicContact CB-CD1 4.46Å; N135-F200 HydrophobicContact CB-CG 4.46Å; N135-F200 PolarHBondContact O-N 3.37Å; V137-F200 HydrophobicContact CG2-CB 4.27Å; V137-F200 HydrophobicContact CG2-CD2 3.9Å; F200-E202 HydrophobicContact CE1-CB 4.24Å
201	I	85.1	Confident	93.8	Very high	34 Å²	34	47.7 Å²	47.7	17%	0.174	26%	0.264	C	S	.	.			trans	-115.1	121.9	176.7	-41.2	165.6	0	0	0	108	F179 V246 L249	F179-I201 HydrophobicContact CD2-CD1 3.55Å; F179-I201 HydrophobicContact CD2-CG1 4.05Å; F179-I201 HydrophobicContact CE2-CB 4.5Å; F179-I201 HydrophobicContact CE2-CD1 3.07Å; F179-I201 HydrophobicContact CE2-CG1 3.21Å; F179-I201 HydrophobicContact CZ-CD1 3.92Å; F179-I201 HydrophobicContact CZ-CG1 3.48Å; F179-I201 VanDerWaalsContact CZ-CG1 3.48Å; I201-V246 HydrophobicContact CB-CG2 4.28Å; I201-V246 HydrophobicContact CG2-CB 3.81Å; I201-V246 HydrophobicContact CG2-CG1 4.46Å; I201-V246 HydrophobicContact CG2-CG2 3.68Å; I201-L249 HydrophobicContact CG2-CD2 4.2Å
202	E	84.8	Confident	93.8	Very high	139 Å²	139	47.1 Å²	47.1	65%	0.65	25%	0.248	S	C	*	.			trans	-79.7	127.9	170	-169.1	179.9	-172.3	0	0	110.1	F200	F200-E202 HydrophobicContact CE1-CB 4.24Å
203	G	87.5	Confident	93.5	Very high	52 Å²	52	42 Å²	42	54%	0.536	23%	0.228	S	C	.	.	S	Bend	trans	143	-178.1	172.6	0	0	0	0	0	113.6
204	S	88.6	Confident	93.4	Very high	99 Å²	99	45.3 Å²	45.3	69%	0.692	24%	0.238	S	C	*	.			trans	-83.2	117.3	177.3	-55.2	0	0	0	0	110.6
205	Y	90.8	Very high	93.1	Very high	111 Å²	111	46 Å²	46	44%	0.435	24%	0.243	S	C	.	.			trans	-71.4	130	175.3	-170.1	-89.5	0	0	0	111.3	Q244 T251	Y205-Q244 HydrophobicContact CE1-CB 3.97Å; Y205-Q244 HydrophobicContact CE1-CG 4.28Å; Y205-Q244 WeakPolarHBondContact OH-CG 3.15Å; Y205-Q244 PolarHBondContact OH-OE1 2.99Å; Y205-T251 HydrophobicContact CE2-CG2 3.7Å
206	I	93.1	Very high	92.7	Very high	44 Å²	44	46.5 Å²	46.5	23%	0.226	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128.9	178.5	-54.5	179	0	0	0	109.5	Y208 V218 Q244 G245	I206-Y208 HydrophobicContact CB-CD1 4.48Å; I206-Y208 HydrophobicContact CB-CE1 3.91Å; I206-Y208 HydrophobicContact CD1-CE1 4.48Å; I206-Y208 HydrophobicContact CG2-CD1 3.77Å; I206-Y208 HydrophobicContact CG2-CE1 3.57Å; I206-V218 HydrophobicContact CD1-CG1 4.08Å; I206-V218 HydrophobicContact CG2-CB 4.37Å; I206-Q244 CarbonylContact O-C 3.57Å; I206-Q244 VanDerWaalsContact O-CA 3.24Å; I206-Q244 WeakPolarHBondContact O-CA 3.32Å; I206-G245 PolarHBondContact N-O 3.44Å; I206-G245 PolarHBondContact O-N 2.85Å
207	K	95.3	Very high	92.2	Very high	69 Å²	69	51.4 Å²	51.4	30%	0.3	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	111.6	168.9	-177.3	165.1	-173.6	156.2	0	109.9	N209 F214 S216 D242 Q244	K207-N209 WeakPolarHBondContact CE-O 3.31Å; K207-N209 WeakPolarHBondContact CG-O 3.44Å; K207-F214 HydrophobicContact CG-CE1 4.45Å; K207-S216 VanDerWaalsContact O-CB 3.26Å; K207-S216 WeakPolarHBondContact O-CB 3.03Å; K207-D242 WeakPolarHBondContact CE-OD1 3.48Å; K207-D242 IonicContact NZ-OD1 3.67Å; K207-D242 PolarHBondContact NZ-OD1 3.34Å; K207-D242 IonicContact NZ-OD2 2.72Å; K207-D242 PolarHBondContact NZ-OD2 3.2Å; K207-Q244 HydrophobicContact CB-CB 4.03Å; K207-Q244 HydrophobicContact CG-CB 4.16Å
208	Y	95.7	Very high	91.6	Very high	4 Å²	4	55 Å²	55	2%	0.016	30%	0.304	C	S	.	.			trans	-87.4	-39.9	-172.2	-59.4	-68.5	0	0	0	113.2	I206 S216 R220 P223 Q224 I243 G247 Y250	I206-Y208 HydrophobicContact CB-CD1 4.48Å; I206-Y208 HydrophobicContact CB-CE1 3.91Å; I206-Y208 HydrophobicContact CD1-CE1 4.48Å; I206-Y208 HydrophobicContact CG2-CD1 3.77Å; I206-Y208 HydrophobicContact CG2-CE1 3.57Å; Y208-S216 PolarHBondContact O-N 2.93Å; Y208-R220 HydrophobicContact CD1-CB 4.27Å; Y208-R220 HydrophobicContact CD1-CG 4.27Å; Y208-R220 HydrophobicContact CE1-CB 4.23Å; Y208-R220 HydrophobicContact CE1-CG 3.83Å; Y208-R220 WeakPolarHBondContact OH-CD 3.3Å; Y208-R220 PolarHBondContact OH-NH1 3.37Å; Y208-P223 HydrophobicContact CD1-CG 4.1Å; Y208-P223 HydrophobicContact CD2-CB 3.95Å; Y208-P223 HydrophobicContact CD2-CG 3.92Å; Y208-P223 HydrophobicContact CG-CB 3.99Å; Y208-P223 HydrophobicContact CG-CG 3.63Å; Y208-Q224 PolarHBondContact O-NE2 2.98Å; Y208-Q224 VanDerWaalsContact O-NE2 3.12Å; Y208-I243 WeakPolarHBondContact CB-O 3.29Å; Y208-I243 HydrophobicContact CD2-CG2 4.29Å; Y208-I243 WeakPolarHBondContact CD2-O 3.38Å; Y208-I243 PolarHBondContact N-O 2.94Å; Y208-G247 WeakPolarHBondContact CE2-O 3.37Å; Y208-G247 PolarHBondContact OH-O 2.99Å; Y208-Y250 HydrophobicContact CD2-CE1 4.2Å; Y208-Y250 HydrophobicContact CE2-CD1 4.38Å; Y208-Y250 AromaticContact CE2-CE1 3.9Å; Y208-Y250 HydrophobicContact CE2-CE1 3.9Å
209	N	96.9	Very high	91.3	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.011	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-140.3	178	168.8	63.4	36	0	0	0	110.7	K207 F214 Q224 S227 D242 I243	K207-N209 WeakPolarHBondContact CE-O 3.31Å; K207-N209 WeakPolarHBondContact CG-O 3.44Å; N209-F214 CarbonylContact C-O 3.6Å; N209-F214 WeakPolarHBondContact CA-O 3.36Å; N209-Q224 PolarHBondContact ND2-OE1 2.94Å; N209-S227 PolarHBondContact ND2-OG 3.36Å; N209-S227 VanDerWaalsContact ND2-OG 3.12Å; N209-D242 PolarHBondContact OD1-N 3.14Å; N209-I243 PolarHBondContact N-O 3.29Å; N209-I243 PolarHBondContact OD1-N 3.21Å
210	S	96.5	Very high	91.2	Very high	6 Å²	6	52.8 Å²	52.8	4%	0.042	30%	0.295	C	S	.	.			trans	-133.2	170.1	175.8	73.4	0	0	0	0	112.6	S212 G213 F214 D242	S210-S212 PolarHBondContact O-N 2.86Å; S210-S212 PolarHBondContact OG-N 3.25Å; S210-S212 VanDerWaalsContact OG-N 3.14Å; S210-S212 PolarHBondContact OG-OG 3.5Å; S210-G213 PolarHBondContact OG-N 2.82Å; S210-F214 PolarHBondContact N-O 3.21Å; S210-F214 VanDerWaalsContact OG-CB 3.27Å; S210-F214 WeakPolarHBondContact OG-CB 3.17Å; S210-F214 PolarHBondContact OG-N 3.28Å; S210-D242 WeakPolarHBondContact CA-OD1 3.5Å
211	N	95.9	Very high	91.2	Very high	37 Å²	37	50.4 Å²	50.4	20%	0.198	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-13.4	169.8	73.3	-27.8	0	0	0	114.8	V241 D242 Q254 H256 G266	N211-V241 HydrophobicContact CB-CG2 3.8Å; N211-D242 PolarHBondContact N-OD1 2.92Å; N211-Q254 HydrophobicContact CB-CB 4.14Å; N211-Q254 HydrophobicContact CB-CG 3.91Å; N211-H256 PolarHBondContact O-CE1 3.48Å; N211-H256 PolarHBondContact O-NE2 3.15Å; N211-G266 PolarHBondContact ND2-O 3.08Å
212	S	94.5	Very high	91.7	Very high	62 Å²	62	48.8 Å²	48.8	43%	0.434	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	19	-177.4	58.3	0	0	0	0	114.1	S210	S210-S212 PolarHBondContact O-N 2.86Å; S210-S212 PolarHBondContact OG-N 3.25Å; S210-S212 VanDerWaalsContact OG-N 3.14Å; S210-S212 PolarHBondContact OG-OG 3.5Å
213	G	91.9	Very high	92.2	Very high	8 Å²	8	42.1 Å²	42.1	8%	0.082	25%	0.245	C	C	.	.	S	Bend	trans	90.2	-2.9	173.6	0	0	0	0	0	115.8	S210 T279	S210-G213 PolarHBondContact OG-N 2.82Å; G213-T279 WeakPolarHBondContact O-CB 3.33Å; G213-T279 WeakPolarHBondContact O-CG2 3.42Å; G213-T279 PolarHBondContact O-OG1 3.45Å
214	F	93.5	Very high	92.6	Very high	109 Å²	109	39.8 Å²	39.8	48%	0.478	22%	0.22	S	C	.	.			trans	-57.8	139.8	170	166.2	-89.7	0	0	0	111.5	K207 N209 S210	K207-F214 HydrophobicContact CG-CE1 4.45Å; N209-F214 CarbonylContact C-O 3.6Å; N209-F214 WeakPolarHBondContact CA-O 3.36Å; S210-F214 PolarHBondContact N-O 3.21Å; S210-F214 VanDerWaalsContact OG-CB 3.27Å; S210-F214 WeakPolarHBondContact OG-CB 3.17Å; S210-F214 PolarHBondContact OG-N 3.28Å
215	V	91.7	Very high	92.9	Very high	29 Å²	29	35.1 Å²	35.1	18%	0.176	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-132.5	130.8	174.5	178	0	0	0	0	108.7	Y219 T279	V215-Y219 HydrophobicContact CG1-CD2 4.06Å; V215-Y219 HydrophobicContact CG1-CE2 4.31Å; V215-T279 WeakPolarHBondContact CG2-OG1 3.14Å
216	S	90.4	Very high	93.3	Very high	14 Å²	14	29.8 Å²	29.8	10%	0.098	17%	0.167	C	C	.	.			trans	-61.1	150	-178.7	-165.1	0	0	0	0	113.6	K207 Y208 V218	K207-S216 VanDerWaalsContact O-CB 3.26Å; K207-S216 WeakPolarHBondContact O-CB 3.03Å; Y208-S216 PolarHBondContact O-N 2.93Å; S216-V218 VanDerWaalsContact C-N 3.27Å; S216-V218 PolarHBondContact OG-N 3.01Å; S216-V218 VanDerWaalsContact OG-N 3.15Å
217	S	87.1	Confident	93.5	Very high	106 Å²	106	27.7 Å²	27.7	74%	0.741	16%	0.156	S	C	*	.	S	Bend	trans	-67.2	-30.8	165.1	56.9	0	0	0	0	111.8	Y219	S217-Y219 VanDerWaalsContact C-N 3.27Å; S217-Y219 PolarHBondContact O-N 3.32Å
218	V	86.4	Confident	93.6	Very high	77 Å²	77	24.4 Å²	24.4	47%	0.467	14%	0.142	S	C	.	.	S	Bend	trans	-78.8	81.4	169.3	-174.1	0	0	0	0	108.3	I206 S216 R220	I206-V218 HydrophobicContact CD1-CG1 4.08Å; I206-V218 HydrophobicContact CG2-CB 4.37Å; S216-V218 VanDerWaalsContact C-N 3.27Å; S216-V218 PolarHBondContact OG-N 3.01Å; S216-V218 VanDerWaalsContact OG-N 3.15Å; V218-R220 PolarHBondContact O-N 2.74Å
219	Y	87.3	Confident	93.6	Very high	13 Å²	13	24.2 Å²	24.2	5%	0.051	14%	0.141	C	C	.	.			trans	-79.2	122.2	-172.3	-174.5	-96.3	0	0	0	112.3	V215 S217 Q221 Q224 K311	V215-Y219 HydrophobicContact CG1-CD2 4.06Å; V215-Y219 HydrophobicContact CG1-CE2 4.31Å; S217-Y219 VanDerWaalsContact C-N 3.27Å; S217-Y219 PolarHBondContact O-N 3.32Å; Y219-Q221 HydrophobicContact CE1-CG 4.1Å; Y219-Q224 HydrophobicContact CE2-CG 3.85Å; Y219-K311 HydrophobicContact CD1-CB 3.68Å; Y219-K311 HydrophobicContact CD1-CG 4.29Å; Y219-K311 HydrophobicContact CD2-CB 4.24Å; Y219-K311 HydrophobicContact CD2-CD 3.68Å; Y219-K311 HydrophobicContact CD2-CG 4.01Å; Y219-K311 HydrophobicContact CE1-CB 3.99Å; Y219-K311 HydrophobicContact CE2-CD 3.83Å; Y219-K311 HydrophobicContact CE2-CG 4.5Å; Y219-K311 HydrophobicContact CG-CB 3.8Å; Y219-K311 HydrophobicContact CG-CD 4.09Å; Y219-K311 HydrophobicContact CG-CG 3.88Å
220	R	90.5	Very high	93.5	Very high	35 Å²	35	24.1 Å²	24.1	13%	0.132	14%	0.14	C	C	.	.			trans	-120.5	138.4	170.7	-65.7	-172.8	69.8	-132.2	-5.2	110.7	Y208 V218 P223 G247 D248	Y208-R220 HydrophobicContact CD1-CB 4.27Å; Y208-R220 HydrophobicContact CD1-CG 4.27Å; Y208-R220 HydrophobicContact CE1-CB 4.23Å; Y208-R220 HydrophobicContact CE1-CG 3.83Å; Y208-R220 WeakPolarHBondContact OH-CD 3.3Å; Y208-R220 PolarHBondContact OH-NH1 3.37Å; V218-R220 PolarHBondContact O-N 2.74Å; R220-P223 HydrophobicContact CB-CG 3.82Å; R220-P223 WeakPolarHBondContact O-CD 3.47Å; R220-P223 WeakPolarHBondContact O-CG 3.47Å; R220-G247 PolarHBondContact NH1-O 3.39Å; R220-D248 IonicContact CZ-OD1 3.56Å; R220-D248 VanDerWaalsContact CZ-OD1 3.25Å; R220-D248 IonicContact CZ-OD2 2.99Å; R220-D248 IonicContact NH1-OD1 3.45Å; R220-D248 PolarHBondContact NH1-OD1 2.95Å; R220-D248 IonicContact NH1-OD2 2.72Å; R220-D248 IonicContact NH2-OD1 2.58Å; R220-D248 PolarHBondContact NH2-OD1 2.7Å; R220-D248 IonicContact NH2-OD2 3.96Å; R220-D248 PolarHBondContact NH2-OD2 3.47Å
221	Q	92.3	Very high	93.4	Very high	8 Å²	8	23.9 Å²	23.9	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-72.2	-41.7	-177.1	-65	-176.6	6.1	0	0	113.1	Y219 Q224 A225 N283 I285 S315	Y219-Q221 HydrophobicContact CE1-CG 4.1Å; Q221-Q224 PolarHBondContact O-N 3.32Å; Q221-A225 WeakPolarHBondContact O-CB 3.47Å; Q221-A225 PolarHBondContact O-N 3.18Å; Q221-N283 WeakPolarHBondContact CA-ND2 3.45Å; Q221-N283 HydrophobicContact CB-CB 4.25Å; Q221-N283 HydrophobicContact CG-CB 4.01Å; Q221-N283 PolarHBondContact O-ND2 3.3Å; Q221-I285 HydrophobicContact CB-CD1 3.76Å; Q221-I285 HydrophobicContact CB-CG1 4.3Å; Q221-S315 PolarHBondContact NE2-OG 2.94Å
222	T	94.6	Very high	93	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-54.9	-52.7	-176.8	-48	0	0	0	0	113.8	F167 K174 V176 Q224 A225 F226 D248	F167-T222 HydrophobicContact CE1-CG2 4.3Å; F167-T222 HydrophobicContact CZ-CG2 4.5Å; K174-T222 HydrophobicContact CB-CG2 4.43Å; V176-T222 HydrophobicContact CG1-CG2 3.51Å; T222-Q224 VanDerWaalsContact C-N 3.33Å; T222-Q224 PolarHBondContact O-N 3.33Å; T222-A225 PolarHBondContact O-N 3.26Å; T222-F226 WeakPolarHBondContact O-CB 3.45Å; T222-F226 PolarHBondContact O-N 2.94Å; T222-D248 WeakPolarHBondContact CB-OD1 3.43Å
223	P	96.6	Very high	92.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.9	-36.4	-179	23.1	-34.6	0	0	0	113.1	Y208 R220 F226 S227 I243	Y208-P223 HydrophobicContact CD1-CG 4.1Å; Y208-P223 HydrophobicContact CD2-CB 3.95Å; Y208-P223 HydrophobicContact CD2-CG 3.92Å; Y208-P223 HydrophobicContact CG-CB 3.99Å; Y208-P223 HydrophobicContact CG-CG 3.63Å; R220-P223 HydrophobicContact CB-CG 3.82Å; R220-P223 WeakPolarHBondContact O-CD 3.47Å; R220-P223 WeakPolarHBondContact O-CG 3.47Å; P223-F226 PolarHBondContact O-N 3.43Å; P223-S227 PolarHBondContact O-N 2.9Å; P223-S227 PolarHBondContact O-OG 3.43Å; P223-I243 HydrophobicContact CB-CB 4.06Å; P223-I243 HydrophobicContact CB-CG2 3.51Å
224	Q	95.6	Very high	92.4	Very high	3 Å²	3	21.1 Å²	21.1	1%	0.014	12%	0.115	C	C	.	.	H	α-helix	trans	-70.3	-39.6	177.1	-54.2	-56.4	-23.2	0	0	112	Y208 N209 Y219 Q221 T222 F226 H228	Y208-Q224 PolarHBondContact O-NE2 2.98Å; Y208-Q224 VanDerWaalsContact O-NE2 3.12Å; N209-Q224 PolarHBondContact ND2-OE1 2.94Å; Y219-Q224 HydrophobicContact CE2-CG 3.85Å; Q221-Q224 PolarHBondContact O-N 3.32Å; T222-Q224 VanDerWaalsContact C-N 3.33Å; T222-Q224 PolarHBondContact O-N 3.33Å; Q224-F226 VanDerWaalsContact C-N 3.33Å; Q224-H228 WeakPolarHBondContact O-CB 3.28Å; Q224-H228 PolarHBondContact O-N 3.18Å; Q224-H228 VanDerWaalsContact O-N 3.14Å
225	A	95.5	Very high	91.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69.1	-32.7	176.2	0	0	0	0	0	112.2	Q221 T222 F229 I285	Q221-A225 WeakPolarHBondContact O-CB 3.47Å; Q221-A225 PolarHBondContact O-N 3.18Å; T222-A225 PolarHBondContact O-N 3.26Å; A225-F229 WeakPolarHBondContact O-CB 3.43Å; A225-F229 PolarHBondContact O-N 3.36Å; A225-I285 HydrophobicContact CB-CB 3.65Å; A225-I285 HydrophobicContact CB-CG2 3.59Å
226	F	97.8	Very high	91.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.3	-52.2	174.2	173.1	-117.8	0	0	0	111.4	W163 A164 F167 V176 I178 T222 P223 Q224 H228 F229 T230 V240 I243 Y250	W163-F226 HydrophobicContact CB-CE2 4.43Å; W163-F226 HydrophobicContact CB-CZ 4.32Å; A164-F226 HydrophobicContact CB-CE2 4.25Å; A164-F226 HydrophobicContact CB-CZ 4.17Å; F167-F226 HydrophobicContact CB-CD2 3.75Å; F167-F226 HydrophobicContact CB-CE2 3.94Å; F167-F226 HydrophobicContact CD1-CD2 4.09Å; F167-F226 HydrophobicContact CD2-CD2 4.01Å; F167-F226 HydrophobicContact CE2-CB 4.37Å; F167-F226 AromaticContact CG-CD2 3.7Å; F167-F226 HydrophobicContact CG-CD2 3.7Å; F167-F226 HydrophobicContact CG-CE2 4.4Å; F167-F226 HydrophobicContact CZ-CB 4.38Å; V176-F226 HydrophobicContact CG2-CD2 4.23Å; V176-F226 HydrophobicContact CG2-CE2 4.41Å; I178-F226 HydrophobicContact CD1-CE1 4.36Å; I178-F226 HydrophobicContact CD1-CZ 4.29Å; T222-F226 WeakPolarHBondContact O-CB 3.45Å; T222-F226 PolarHBondContact O-N 2.94Å; P223-F226 PolarHBondContact O-N 3.43Å; Q224-F226 VanDerWaalsContact C-N 3.33Å; F226-H228 VanDerWaalsContact C-N 3.33Å; F226-H228 PolarHBondContact O-N 3.44Å; F226-F229 WeakPolarHBondContact O-CB 3.22Å; F226-F229 PolarHBondContact O-N 3.28Å; F226-F229 VanDerWaalsContact O-N 3.14Å; F226-T230 HydrophobicContact CD2-CG2 4.21Å; F226-T230 HydrophobicContact CE2-CG2 3.74Å; F226-T230 HydrophobicContact CZ-CG2 4Å; F226-T230 WeakPolarHBondContact O-CG2 3.47Å; F226-T230 PolarHBondContact O-N 3.41Å; F226-V240 HydrophobicContact CE1-CB 4.13Å; F226-V240 HydrophobicContact CE1-CG1 3.83Å; F226-V240 HydrophobicContact CZ-CB 4.33Å; F226-V240 HydrophobicContact CZ-CG1 4.23Å; F226-I243 HydrophobicContact CD1-CD1 3.63Å; F226-I243 HydrophobicContact CD1-CG1 4.18Å; F226-I243 HydrophobicContact CE1-CD1 3.65Å; F226-Y250 HydrophobicContact CD1-CE2 4.33Å
227	S	98.4	Very high	91.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-56.1	-48.2	176.2	-65.4	0	0	0	0	111.8	N209 P223 F229 T230 F231 V240 I243	N209-S227 PolarHBondContact ND2-OG 3.36Å; N209-S227 VanDerWaalsContact ND2-OG 3.12Å; P223-S227 PolarHBondContact O-N 2.9Å; P223-S227 PolarHBondContact O-OG 3.43Å; S227-F229 VanDerWaalsContact C-N 3.35Å; S227-F229 PolarHBondContact O-N 3Å; S227-T230 PolarHBondContact O-N 3.13Å; S227-T230 PolarHBondContact O-OG1 3.43Å; S227-F231 PolarHBondContact O-N 2.98Å; S227-V240 VanDerWaalsContact CA-O 3.27Å; S227-V240 WeakPolarHBondContact CA-O 3.34Å; S227-V240 WeakPolarHBondContact CB-O 3.45Å; S227-V240 PolarHBondContact OG-O 3.25Å; S227-I243 WeakPolarHBondContact OG-CG1 3.34Å
228	H	96.5	Very high	92.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.8	-41.6	176.8	-172.6	-160.4	0	0	0	112.7	Q224 F226 T230 F231 E232 F276 F277 H280 C282 L291 A292	Q224-H228 WeakPolarHBondContact O-CB 3.28Å; Q224-H228 PolarHBondContact O-N 3.18Å; Q224-H228 VanDerWaalsContact O-N 3.14Å; F226-H228 VanDerWaalsContact C-N 3.33Å; F226-H228 PolarHBondContact O-N 3.44Å; H228-T230 VanDerWaalsContact C-N 3.33Å; H228-T230 PolarHBondContact O-N 3.5Å; H228-F231 WeakPolarHBondContact O-CB 3.34Å; H228-F231 PolarHBondContact O-N 3.31Å; H228-E232 IonicContact NE2-OE1 3Å; H228-E232 PolarHBondContact O-N 3.13Å; H228-E232 VanDerWaalsContact O-N 3.16Å; H228-F276 HydrophobicContact CB-CE1 4.26Å; H228-F276 HydrophobicContact CB-CZ 4.31Å; H228-F277 AromaticContact CD2-CE1 3.69Å; H228-F277 AromaticContact CD2-CZ 4Å; H228-F277 AromaticContact NE2-CE1 3.91Å; H228-H280 AromaticContact CE1-NE2 3.91Å; H228-H280 AromaticContact CG-NE2 3.42Å; H228-H280 AromaticContact ND1-NE2 3.19Å; H228-H280 PolarHBondContact ND1-NE2 2.61Å; H228-H280 VanDerWaalsContact ND1-NE2 3.19Å; H228-C282 PolarHBondContact CE1-SG 3.46Å; H228-L291 HydrophobicContact CB-CD1 3.95Å; H228-L291 VanDerWaalsContact CE1-CB 3.5Å; H228-L291 WeakPolarHBondContact CE1-CB 3.46Å; H228-L291 WeakPolarHBondContact ND1-CD1 3.36Å; H228-A292 PolarHBondContact CE1-O 3.19Å; H228-A292 PolarHBondContact NE2-O 3.32Å
229	F	95.1	Very high	92.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-59.5	-44	176.8	168.7	-89.1	0	0	0	111.6	E166 F167 H170 A225 F226 S227 F231 E232 R233 L289 L291	E166-F229 HydrophobicContact CG-CE1 4.22Å; E166-F229 HydrophobicContact CG-CZ 4.14Å; F167-F229 VanDerWaalsContact CA-CE1 3.46Å; F167-F229 HydrophobicContact CB-CD1 3.88Å; F167-F229 HydrophobicContact CB-CE1 3.83Å; F167-F229 HydrophobicContact CB-CZ 4.47Å; F167-F229 HydrophobicContact CD2-CB 3.75Å; F167-F229 AromaticContact CD2-CD1 3.67Å; F167-F229 HydrophobicContact CD2-CD1 3.67Å; F167-F229 HydrophobicContact CD2-CD2 4.03Å; F167-F229 HydrophobicContact CD2-CE1 4.27Å; F167-F229 AromaticContact CD2-CG 3.55Å; F167-F229 HydrophobicContact CD2-CG 3.55Å; F167-F229 HydrophobicContact CE2-CB 4.05Å; F167-F229 HydrophobicContact CE2-CG 4.26Å; F167-F229 HydrophobicContact CG-CD1 4.28Å; H170-F229 HydrophobicContact CB-CE2 4.38Å; H170-F229 AromaticContact CE1-CE2 3.91Å; H170-F229 AromaticContact CE1-CZ 3.66Å; H170-F229 AromaticContact CG-CE2 3.82Å; H170-F229 AromaticContact ND1-CE2 3.65Å; H170-F229 AromaticContact ND1-CZ 3.46Å; H170-F229 WeakPolarHBondContact ND1-CZ 3.28Å; A225-F229 WeakPolarHBondContact O-CB 3.43Å; A225-F229 PolarHBondContact O-N 3.36Å; F226-F229 WeakPolarHBondContact O-CB 3.22Å; F226-F229 PolarHBondContact O-N 3.28Å; F226-F229 VanDerWaalsContact O-N 3.14Å; S227-F229 VanDerWaalsContact C-N 3.35Å; S227-F229 PolarHBondContact O-N 3Å; F229-F231 PolarHBondContact O-N 3.01Å; F229-E232 PolarHBondContact O-N 2.67Å; F229-R233 HydrophobicContact CD1-CB 4.27Å; F229-R233 HydrophobicContact CE1-CB 3.93Å; F229-R233 HydrophobicContact CE1-CG 3.93Å; F229-R233 HydrophobicContact CE2-CB 4.28Å; F229-R233 HydrophobicContact CE2-CG 4.34Å; F229-R233 HydrophobicContact CZ-CB 3.94Å; F229-R233 HydrophobicContact CZ-CG 3.7Å; F229-R233 WeakPolarHBondContact O-CB 3.3Å; F229-R233 PolarHBondContact O-N 3Å; F229-L289 HydrophobicContact CB-CD1 4.5Å; F229-L289 HydrophobicContact CD2-CD1 4.21Å; F229-L291 HydrophobicContact CB-CD1 4.06Å; F229-L291 HydrophobicContact CB-CD2 4.38Å; F229-L291 HydrophobicContact CD2-CD2 4.15Å
230	T	95.8	Very high	93.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63.8	-32.2	-179	60.7	0	0	0	0	112.7	W163 F226 S227 H228 S234 V240	W163-T230 HydrophobicContact CB-CG2 3.86Å; W163-T230 HydrophobicContact CD2-CG2 4.28Å; W163-T230 HydrophobicContact CE3-CG2 4.08Å; W163-T230 HydrophobicContact CG-CG2 4.2Å; F226-T230 HydrophobicContact CD2-CG2 4.21Å; F226-T230 HydrophobicContact CE2-CG2 3.74Å; F226-T230 HydrophobicContact CZ-CG2 4Å; F226-T230 WeakPolarHBondContact O-CG2 3.47Å; F226-T230 PolarHBondContact O-N 3.41Å; S227-T230 PolarHBondContact O-N 3.13Å; S227-T230 PolarHBondContact O-OG1 3.43Å; H228-T230 VanDerWaalsContact C-N 3.33Å; H228-T230 PolarHBondContact O-N 3.5Å; T230-S234 WeakPolarHBondContact O-CB 3.38Å; T230-S234 PolarHBondContact O-N 3.27Å; T230-S234 VanDerWaalsContact O-N 3.11Å; T230-S234 PolarHBondContact O-OG 3.17Å; T230-V240 HydrophobicContact CG2-CB 4.02Å; T230-V240 HydrophobicContact CG2-CG2 3.72Å; T230-V240 PolarHBondContact OG1-N 3.13Å
231	F	94.2	Very high	93.5	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-66.1	-55.7	173.4	179	-98.1	0	0	0	112.4	S227 H228 F229 R233 S234 H236 L238 M239 M273 F277 A422 L452 I455	S227-F231 PolarHBondContact O-N 2.98Å; H228-F231 WeakPolarHBondContact O-CB 3.34Å; H228-F231 PolarHBondContact O-N 3.31Å; F229-F231 PolarHBondContact O-N 3.01Å; F231-R233 VanDerWaalsContact C-N 3.33Å; F231-R233 PolarHBondContact O-N 3.06Å; F231-S234 PolarHBondContact O-N 3.17Å; F231-S234 PolarHBondContact O-OG 3.45Å; F231-S234 VanDerWaalsContact O-OG 3.06Å; F231-H236 AromaticContact CD1-CD2 3.5Å; F231-H236 VanDerWaalsContact CD1-CD2 3.5Å; F231-H236 WeakPolarHBondContact CD1-CD2 3.45Å; F231-H236 HydrophobicContact CD2-CB 4.23Å; F231-H236 HydrophobicContact CE1-CB 4.14Å; F231-H236 AromaticContact CE1-CD2 3.04Å; F231-H236 WeakPolarHBondContact CE1-CD2 3.24Å; F231-H236 AromaticContact CE1-CG 3.64Å; F231-H236 AromaticContact CE1-NE2 3.67Å; F231-H236 HydrophobicContact CE2-CB 3.52Å; F231-H236 AromaticContact CE2-CG 3.97Å; F231-H236 HydrophobicContact CZ-CB 3.48Å; F231-H236 VanDerWaalsContact CZ-CB 3.48Å; F231-H236 AromaticContact CZ-CD2 3.36Å; F231-H236 WeakPolarHBondContact CZ-CD2 3.39Å; F231-H236 AromaticContact CZ-CG 3.41Å; F231-H236 VanDerWaalsContact CZ-CG 3.41Å; F231-H236 WeakPolarHBondContact O-CA 3.41Å; F231-H236 PolarHBondContact O-N 2.8Å; F231-L238 VanDerWaalsContact CA-O 3.26Å; F231-L238 WeakPolarHBondContact CA-O 3.47Å; F231-M239 HydrophobicContact CB-CB 4.34Å; F231-M239 HydrophobicContact CB-CE 3.67Å; F231-M239 HydrophobicContact CB-CG 4.2Å; F231-M239 HydrophobicContact CD2-CB 4.46Å; F231-M239 HydrophobicContact CD2-CE 3.57Å; F231-M239 HydrophobicContact CE2-CE 4.34Å; F231-M239 HydrophobicContact CG-CE 3.69Å; F231-M273 HydrophobicContact CD2-SD 4.1Å; F231-M273 HydrophobicContact CE2-SD 3.84Å; F231-F277 HydrophobicContact CB-CZ 4.35Å; F231-F277 AromaticContact CD1-CE2 3.69Å; F231-F277 HydrophobicContact CD1-CE2 3.69Å; F231-F277 AromaticContact CD1-CZ 3.33Å; F231-F277 HydrophobicContact CD1-CZ 3.33Å; F231-F277 HydrophobicContact CD2-CE2 4.01Å; F231-F277 HydrophobicContact CD2-CZ 4.37Å; F231-F277 AromaticContact CE1-CE2 3.54Å; F231-F277 HydrophobicContact CE1-CE2 3.54Å; F231-F277 AromaticContact CE1-CZ 3.51Å; F231-F277 HydrophobicContact CE1-CZ 3.51Å; F231-F277 AromaticContact CE2-CE2 3.91Å; F231-F277 HydrophobicContact CE2-CE2 3.91Å; F231-F277 AromaticContact CG-CE2 3.88Å; F231-F277 HydrophobicContact CG-CE2 3.88Å; F231-F277 AromaticContact CG-CZ 3.76Å; F231-F277 HydrophobicContact CG-CZ 3.76Å; F231-F277 AromaticContact CZ-CE2 3.66Å; F231-F277 HydrophobicContact CZ-CE2 3.66Å; F231-F277 HydrophobicContact CZ-CZ 4.14Å; F231-A422 HydrophobicContact CE1-CB 4.11Å; F231-L452 HydrophobicContact CE1-CD2 4.26Å; F231-L452 HydrophobicContact CZ-CD2 3.97Å; F231-I455 HydrophobicContact CE2-CD1 3.5Å; F231-I455 HydrophobicContact CZ-CD1 3.57Å
232	E	88.4	Confident	93.8	Very high	22 Å²	22	8.3 Å²	8.3	10%	0.103	4%	0.042	C	C	.	.	H	α-helix	trans	-63.2	-41.3	-179.8	-64.7	-66.9	132.9	0	0	111.8	H228 F229 S234 A235 H236 L291 A292 A422	H228-E232 IonicContact NE2-OE1 3Å; H228-E232 PolarHBondContact O-N 3.13Å; H228-E232 VanDerWaalsContact O-N 3.16Å; F229-E232 PolarHBondContact O-N 2.67Å; E232-S234 VanDerWaalsContact C-N 3.32Å; E232-S234 PolarHBondContact O-N 3.2Å; E232-A235 PolarHBondContact O-N 2.6Å; E232-H236 IonicContact OE1-NE2 3.94Å; E232-L291 HydrophobicContact CB-CD2 3.98Å; E232-L291 HydrophobicContact CG-CB 4.1Å; E232-L291 HydrophobicContact CG-CD2 4.07Å; E232-A292 VanDerWaalsContact OE2-CB 3.29Å; E232-A292 WeakPolarHBondContact OE2-CB 3.3Å; E232-A292 PolarHBondContact OE2-N 3.3Å; E232-A422 WeakPolarHBondContact OE1-CB 3.37Å
233	R	85.7	Confident	93.9	Very high	23 Å²	23	8.3 Å²	8.3	9%	0.087	4%	0.043	C	C	.	.	H	α-helix	trans	-70.7	-28.5	-176.9	-171.8	68.7	178.8	159.8	-2.3	112.7	W163 E166 F229 F231 A235 C327 V328	W163-R233 HydrophobicContact CH2-CG 4.47Å; W163-R233 HydrophobicContact CZ3-CB 3.85Å; W163-R233 HydrophobicContact CZ3-CG 3.66Å; E166-R233 HydrophobicContact CG-CG 4.17Å; E166-R233 IonicContact OE1-CZ 3.85Å; E166-R233 IonicContact OE1-NE 3.92Å; E166-R233 PolarHBondContact OE1-NE 3.33Å; E166-R233 IonicContact OE1-NH2 2.71Å; E166-R233 PolarHBondContact OE1-NH2 2.99Å; F229-R233 HydrophobicContact CD1-CB 4.27Å; F229-R233 HydrophobicContact CE1-CB 3.93Å; F229-R233 HydrophobicContact CE1-CG 3.93Å; F229-R233 HydrophobicContact CE2-CB 4.28Å; F229-R233 HydrophobicContact CE2-CG 4.34Å; F229-R233 HydrophobicContact CZ-CB 3.94Å; F229-R233 HydrophobicContact CZ-CG 3.7Å; F229-R233 WeakPolarHBondContact O-CB 3.3Å; F229-R233 PolarHBondContact O-N 3Å; F231-R233 VanDerWaalsContact C-N 3.33Å; F231-R233 PolarHBondContact O-N 3.06Å; R233-A235 VanDerWaalsContact C-N 3.27Å; R233-C327 WeakPolarHBondContact CD-SG 3.17Å; R233-V328 VanDerWaalsContact NH1-C 3.26Å; R233-V328 VanDerWaalsContact NH1-N 3.16Å; R233-V328 PolarHBondContact NH1-O 2.97Å
234	S	87.5	Confident	93.9	Very high	4 Å²	4	9.2 Å²	9.2	3%	0.028	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	8.9	177	67.9	0	0	0	0	113.9	T230 F231 E232 H236 Q237 L238	T230-S234 WeakPolarHBondContact O-CB 3.38Å; T230-S234 PolarHBondContact O-N 3.27Å; T230-S234 VanDerWaalsContact O-N 3.11Å; T230-S234 PolarHBondContact O-OG 3.17Å; F231-S234 PolarHBondContact O-N 3.17Å; F231-S234 PolarHBondContact O-OG 3.45Å; F231-S234 VanDerWaalsContact O-OG 3.06Å; E232-S234 VanDerWaalsContact C-N 3.32Å; E232-S234 PolarHBondContact O-N 3.2Å; S234-H236 PolarHBondContact O-N 3.02Å; S234-Q237 VanDerWaalsContact O-CB 3.29Å; S234-Q237 WeakPolarHBondContact O-CB 3.37Å; S234-Q237 VanDerWaalsContact O-CG 3.26Å; S234-Q237 WeakPolarHBondContact O-CG 3.22Å; S234-Q237 PolarHBondContact O-N 3.14Å; S234-Q237 PolarHBondContact OG-N 2.93Å; S234-L238 PolarHBondContact OG-N 3.18Å; S234-L238 VanDerWaalsContact OG-N 3.09Å; S234-L238 PolarHBondContact OG-O 3.06Å
235	A	82.7	Confident	93.8	Very high	20 Å²	20	9 Å²	9	17%	0.165	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	44.5	-170.1	0	0	0	0	0	111.4	E232 R233 Q237	E232-A235 PolarHBondContact O-N 2.6Å; R233-A235 VanDerWaalsContact C-N 3.27Å; A235-Q237 PolarHBondContact O-N 3.31Å
236	H	89.3	Confident	93.7	Very high	5 Å²	5	10.7 Å²	10.7	2%	0.023	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	-0.1	179.1	-43.3	147.2	0	0	0	115	F231 E232 S234 L238 I451 L452	F231-H236 AromaticContact CD1-CD2 3.5Å; F231-H236 VanDerWaalsContact CD1-CD2 3.5Å; F231-H236 WeakPolarHBondContact CD1-CD2 3.45Å; F231-H236 HydrophobicContact CD2-CB 4.23Å; F231-H236 HydrophobicContact CE1-CB 4.14Å; F231-H236 AromaticContact CE1-CD2 3.04Å; F231-H236 WeakPolarHBondContact CE1-CD2 3.24Å; F231-H236 AromaticContact CE1-CG 3.64Å; F231-H236 AromaticContact CE1-NE2 3.67Å; F231-H236 HydrophobicContact CE2-CB 3.52Å; F231-H236 AromaticContact CE2-CG 3.97Å; F231-H236 HydrophobicContact CZ-CB 3.48Å; F231-H236 VanDerWaalsContact CZ-CB 3.48Å; F231-H236 AromaticContact CZ-CD2 3.36Å; F231-H236 WeakPolarHBondContact CZ-CD2 3.39Å; F231-H236 AromaticContact CZ-CG 3.41Å; F231-H236 VanDerWaalsContact CZ-CG 3.41Å; F231-H236 WeakPolarHBondContact O-CA 3.41Å; F231-H236 PolarHBondContact O-N 2.8Å; E232-H236 IonicContact OE1-NE2 3.94Å; S234-H236 PolarHBondContact O-N 3.02Å; H236-L238 VanDerWaalsContact C-N 3.27Å; H236-L238 PolarHBondContact O-N 3.47Å; H236-I451 HydrophobicContact CB-CB 4.21Å; H236-I451 HydrophobicContact CB-CD1 4.37Å; H236-I451 HydrophobicContact CB-CG2 3.83Å; H236-I451 WeakPolarHBondContact O-CG2 3.4Å; H236-L452 WeakPolarHBondContact ND1-CG 3.33Å
237	Q	88.5	Confident	93.4	Very high	69 Å²	69	12.1 Å²	12.1	32%	0.322	7%	0.071	S	C	.	.	S	Bend	trans	-65.9	-28.3	-177.2	-65	-179.1	4.3	0	0	113.1	S234 A235 T257 A258 A336 I451	S234-Q237 VanDerWaalsContact O-CB 3.29Å; S234-Q237 WeakPolarHBondContact O-CB 3.37Å; S234-Q237 VanDerWaalsContact O-CG 3.26Å; S234-Q237 WeakPolarHBondContact O-CG 3.22Å; S234-Q237 PolarHBondContact O-N 3.14Å; S234-Q237 PolarHBondContact OG-N 2.93Å; A235-Q237 PolarHBondContact O-N 3.31Å; Q237-T257 CarbonylContact O-C 3.44Å; Q237-T257 WeakPolarHBondContact O-CA 3.26Å; Q237-A258 PolarHBondContact O-N 2.68Å; Q237-A336 HydrophobicContact CB-CB 4.11Å; Q237-I451 HydrophobicContact CG-CD1 4.4Å
238	L	94.8	Very high	93.2	Very high	6 Å²	6	13.6 Å²	13.6	3%	0.031	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	164.8	177.7	65.1	80.3	0	0	0	113.4	W163 F231 S234 H236 V240 I255 H256 T257 A336 M337	W163-L238 HydrophobicContact CD2-CD1 4.23Å; W163-L238 HydrophobicContact CZ2-CD1 3.87Å; W163-L238 HydrophobicContact CZ2-CD2 3.85Å; W163-L238 HydrophobicContact CZ2-CG 4.13Å; F231-L238 VanDerWaalsContact CA-O 3.26Å; F231-L238 WeakPolarHBondContact CA-O 3.47Å; S234-L238 PolarHBondContact OG-N 3.18Å; S234-L238 VanDerWaalsContact OG-N 3.09Å; S234-L238 PolarHBondContact OG-O 3.06Å; H236-L238 VanDerWaalsContact C-N 3.27Å; H236-L238 PolarHBondContact O-N 3.47Å; L238-V240 HydrophobicContact CD1-CG2 4.45Å; L238-I255 HydrophobicContact CB-CG2 4.09Å; L238-H256 CarbonylContact C-O 3.49Å; L238-H256 WeakPolarHBondContact CA-O 3.42Å; L238-H256 WeakPolarHBondContact CB-O 3.39Å; L238-T257 HydrophobicContact CB-CG2 4.45Å; L238-A336 HydrophobicContact CD2-CB 3.97Å; L238-A336 HydrophobicContact CG-CB 4.36Å; L238-M337 HydrophobicContact CD2-CG 4.22Å; L238-M337 HydrophobicContact CD2-SD 4.2Å
239	M	97.6	Very high	93.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	127.5	173.5	-173.2	-171.8	-71.4	0	0	110.5	F231 V241 I255 H256 M273 F276 F277	F231-M239 HydrophobicContact CB-CB 4.34Å; F231-M239 HydrophobicContact CB-CE 3.67Å; F231-M239 HydrophobicContact CB-CG 4.2Å; F231-M239 HydrophobicContact CD2-CB 4.46Å; F231-M239 HydrophobicContact CD2-CE 3.57Å; F231-M239 HydrophobicContact CE2-CE 4.34Å; F231-M239 HydrophobicContact CG-CE 3.69Å; M239-V241 HydrophobicContact CG-CG1 3.8Å; M239-V241 HydrophobicContact SD-CG1 3.73Å; M239-I255 WeakPolarHBondContact O-CA 3.37Å; M239-H256 PolarHBondContact N-O 2.88Å; M239-H256 PolarHBondContact O-N 3.1Å; M239-M273 HydrophobicContact CB-CE 4.38Å; M239-M273 HydrophobicContact CB-CG 4.16Å; M239-M273 HydrophobicContact CE-CB 3.99Å; M239-M273 HydrophobicContact CE-CG 4.09Å; M239-M273 HydrophobicContact SD-CG 4.45Å; M239-F276 HydrophobicContact CE-CB 4.38Å; M239-F276 HydrophobicContact CE-CD1 3.6Å; M239-F276 HydrophobicContact CE-CE1 4.24Å; M239-F276 HydrophobicContact CE-CG 4.19Å; M239-F276 HydrophobicContact SD-CB 3.65Å; M239-F276 HydrophobicContact SD-CD1 3.43Å; M239-F276 WeakPolarHBondContact SD-CD1 3.37Å; M239-F276 HydrophobicContact SD-CD2 4.15Å; M239-F276 HydrophobicContact SD-CE1 4.12Å; M239-F276 HydrophobicContact SD-CG 3.45Å; M239-F276 WeakPolarHBondContact SD-CG 3.42Å; M239-F277 HydrophobicContact CE-CD2 3.91Å; M239-F277 HydrophobicContact CE-CE2 3.29Å; M239-F277 HydrophobicContact CE-CZ 3.68Å
240	V	98.7	Very high	93.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122.2	174.1	-172.1	0	0	0	0	109.5	A160 W163 F226 S227 T230 L238 I243 P253 I255	A160-V240 HydrophobicContact CB-CG1 3.9Å; A160-V240 HydrophobicContact CB-CG2 4.47Å; W163-V240 HydrophobicContact CB-CG2 4.05Å; W163-V240 HydrophobicContact CG-CG2 4.1Å; F226-V240 HydrophobicContact CE1-CB 4.13Å; F226-V240 HydrophobicContact CE1-CG1 3.83Å; F226-V240 HydrophobicContact CZ-CB 4.33Å; F226-V240 HydrophobicContact CZ-CG1 4.23Å; S227-V240 VanDerWaalsContact CA-O 3.27Å; S227-V240 WeakPolarHBondContact CA-O 3.34Å; S227-V240 WeakPolarHBondContact CB-O 3.45Å; S227-V240 PolarHBondContact OG-O 3.25Å; T230-V240 HydrophobicContact CG2-CB 4.02Å; T230-V240 HydrophobicContact CG2-CG2 3.72Å; T230-V240 PolarHBondContact OG1-N 3.13Å; L238-V240 HydrophobicContact CD1-CG2 4.45Å; V240-I243 HydrophobicContact CG1-CD1 3.97Å; V240-P253 HydrophobicContact CG1-CB 4.01Å; V240-I255 HydrophobicContact CG2-CG1 4.24Å
241	V	98.5	Very high	93.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	-169.2	-176.1	-62	0	0	0	0	110.2	N211 M239 I243 Q254 F276	N211-V241 HydrophobicContact CB-CG2 3.8Å; M239-V241 HydrophobicContact CG-CG1 3.8Å; M239-V241 HydrophobicContact SD-CG1 3.73Å; V241-I243 VanDerWaalsContact C-N 3.25Å; V241-I243 PolarHBondContact O-N 3.42Å; V241-Q254 HydrophobicContact CG2-CB 3.99Å; V241-Q254 HydrophobicContact CG2-CG 4.28Å; V241-Q254 PolarHBondContact N-O 3.2Å; V241-Q254 PolarHBondContact O-N 3.45Å; V241-F276 HydrophobicContact CG1-CD2 4.32Å
242	D	97.3	Very high	93.1	Very high	22 Å²	22	17.2 Å²	17.2	12%	0.118	10%	0.098	C	C	.	.			trans	56.8	40.2	-171.4	-132.3	52.1	0	0	0	112.2	K207 N209 S210 N211 Q244 Q254	K207-D242 WeakPolarHBondContact CE-OD1 3.48Å; K207-D242 IonicContact NZ-OD1 3.67Å; K207-D242 PolarHBondContact NZ-OD1 3.34Å; K207-D242 IonicContact NZ-OD2 2.72Å; K207-D242 PolarHBondContact NZ-OD2 3.2Å; N209-D242 PolarHBondContact OD1-N 3.14Å; S210-D242 WeakPolarHBondContact CA-OD1 3.5Å; N211-D242 PolarHBondContact N-OD1 2.92Å; D242-Q244 WeakPolarHBondContact O-CG 3.47Å; D242-Q244 PolarHBondContact O-N 3Å; D242-Q244 VanDerWaalsContact O-N 3.17Å; D242-Q244 PolarHBondContact O-NE2 3.34Å; D242-Q244 PolarHBondContact OD2-NE2 3.48Å; D242-Q254 HydrophobicContact CB-CB 3.87Å
243	I	98	Very high	93.5	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	10%	0.097	C	C	.	.			trans	-72.5	113.1	-176.7	-51.3	-55.4	0	0	0	109.7	Y208 N209 P223 F226 S227 V240 V241 Y250	Y208-I243 WeakPolarHBondContact CB-O 3.29Å; Y208-I243 HydrophobicContact CD2-CG2 4.29Å; Y208-I243 WeakPolarHBondContact CD2-O 3.38Å; Y208-I243 PolarHBondContact N-O 2.94Å; N209-I243 PolarHBondContact N-O 3.29Å; N209-I243 PolarHBondContact OD1-N 3.21Å; P223-I243 HydrophobicContact CB-CB 4.06Å; P223-I243 HydrophobicContact CB-CG2 3.51Å; F226-I243 HydrophobicContact CD1-CD1 3.63Å; F226-I243 HydrophobicContact CD1-CG1 4.18Å; F226-I243 HydrophobicContact CE1-CD1 3.65Å; S227-I243 WeakPolarHBondContact OG-CG1 3.34Å; V240-I243 HydrophobicContact CG1-CD1 3.97Å; V241-I243 VanDerWaalsContact C-N 3.25Å; V241-I243 PolarHBondContact O-N 3.42Å; I243-Y250 HydrophobicContact CG2-CD1 3.69Å; I243-Y250 HydrophobicContact CG2-CD2 3.64Å; I243-Y250 HydrophobicContact CG2-CE1 3.63Å; I243-Y250 HydrophobicContact CG2-CE2 3.58Å; I243-Y250 HydrophobicContact CG2-CG 3.71Å
244	Q	95.3	Very high	94.1	Very high	18 Å²	18	16.9 Å²	16.9	8%	0.084	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	152.7	-174.8	59.1	-166.3	-33.3	0	0	111.4	Y205 I206 K207 D242 Y250 T251 D252	Y205-Q244 HydrophobicContact CE1-CB 3.97Å; Y205-Q244 HydrophobicContact CE1-CG 4.28Å; Y205-Q244 WeakPolarHBondContact OH-CG 3.15Å; Y205-Q244 PolarHBondContact OH-OE1 2.99Å; I206-Q244 CarbonylContact O-C 3.57Å; I206-Q244 VanDerWaalsContact O-CA 3.24Å; I206-Q244 WeakPolarHBondContact O-CA 3.32Å; K207-Q244 HydrophobicContact CB-CB 4.03Å; K207-Q244 HydrophobicContact CG-CB 4.16Å; D242-Q244 WeakPolarHBondContact O-CG 3.47Å; D242-Q244 PolarHBondContact O-N 3Å; D242-Q244 VanDerWaalsContact O-N 3.17Å; D242-Q244 PolarHBondContact O-NE2 3.34Å; D242-Q244 PolarHBondContact OD2-NE2 3.48Å; Q244-Y250 CarbonylContact O-C 3.42Å; Q244-Y250 WeakPolarHBondContact O-CA 3.34Å; Q244-Y250 WeakPolarHBondContact O-CB 3.35Å; Q244-T251 WeakPolarHBondContact CG-O 3.33Å; Q244-T251 PolarHBondContact O-N 2.85Å; Q244-D252 PolarHBondContact NE2-O 3.02Å
245	G	94	Very high	94.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.1	-153.4	178.8	0	0	0	0	0	113.1	I206 L249	I206-G245 PolarHBondContact N-O 3.44Å; I206-G245 PolarHBondContact O-N 2.85Å; G245-L249 WeakPolarHBondContact CA-O 3.49Å
246	V	93.2	Very high	95.4	Very high	35 Å²	35	15.7 Å²	15.7	21%	0.212	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	113.3	-179.9	-177.7	0	0	0	0	109.1	I201 D248 L249	I201-V246 HydrophobicContact CB-CG2 4.28Å; I201-V246 HydrophobicContact CG2-CB 3.81Å; I201-V246 HydrophobicContact CG2-CG1 4.46Å; I201-V246 HydrophobicContact CG2-CG2 3.68Å; V246-D248 PolarHBondContact O-N 3.2Å; V246-L249 PolarHBondContact N-O 3.01Å; V246-L249 WeakPolarHBondContact O-CB 3.49Å; V246-L249 PolarHBondContact O-N 3.26Å
247	G	92.2	Very high	95.7	Very high	30 Å²	30	16.1 Å²	16.1	31%	0.309	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	-131.2	-174.3	0	0	0	0	0	111.3	Y208 R220 L249 Y250	Y208-G247 WeakPolarHBondContact CE2-O 3.37Å; Y208-G247 PolarHBondContact OH-O 2.99Å; R220-G247 PolarHBondContact NH1-O 3.39Å; G247-L249 VanDerWaalsContact C-N 3.32Å; G247-Y250 WeakPolarHBondContact O-CE1 3.49Å
248	D	94.4	Very high	95.9	Very high	31 Å²	31	14.1 Å²	14.1	17%	0.166	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	14.5	179.3	-58.8	-67.1	0	0	0	113.1	K174 K175 V176 D177 R220 T222 V246	K174-D248 WeakPolarHBondContact CD-OD2 3.44Å; K175-D248 WeakPolarHBondContact O-CB 3.33Å; V176-D248 VanDerWaalsContact CA-O 3.31Å; V176-D248 WeakPolarHBondContact CA-O 3.37Å; V176-D248 HydrophobicContact CG1-CB 4.3Å; D177-D248 PolarHBondContact N-O 2.94Å; R220-D248 IonicContact CZ-OD1 3.56Å; R220-D248 VanDerWaalsContact CZ-OD1 3.25Å; R220-D248 IonicContact CZ-OD2 2.99Å; R220-D248 IonicContact NH1-OD1 3.45Å; R220-D248 PolarHBondContact NH1-OD1 2.95Å; R220-D248 IonicContact NH1-OD2 2.72Å; R220-D248 IonicContact NH2-OD1 2.58Å; R220-D248 PolarHBondContact NH2-OD1 2.7Å; R220-D248 IonicContact NH2-OD2 3.96Å; R220-D248 PolarHBondContact NH2-OD2 3.47Å; T222-D248 WeakPolarHBondContact CB-OD1 3.43Å; V246-D248 PolarHBondContact O-N 3.2Å
249	L	95	Very high	95.7	Very high	52 Å²	52	18.8 Å²	18.8	27%	0.272	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	109.4	175.8	-175	65.3	0	0	0	108.6	D177 F179 I201 G245 V246 G247	D177-L249 HydrophobicContact CB-CD1 3.86Å; F179-L249 HydrophobicContact CD2-CD1 4.19Å; F179-L249 HydrophobicContact CD2-CD2 4.41Å; F179-L249 HydrophobicContact CD2-CG 4.01Å; F179-L249 HydrophobicContact CE2-CD1 3.74Å; F179-L249 HydrophobicContact CE2-CD2 3.28Å; F179-L249 HydrophobicContact CE2-CG 3.3Å; F179-L249 HydrophobicContact CZ-CD1 4.17Å; F179-L249 HydrophobicContact CZ-CD2 3.47Å; F179-L249 VanDerWaalsContact CZ-CD2 3.47Å; F179-L249 HydrophobicContact CZ-CG 3.95Å; I201-L249 HydrophobicContact CG2-CD2 4.2Å; G245-L249 WeakPolarHBondContact CA-O 3.49Å; V246-L249 PolarHBondContact N-O 3.01Å; V246-L249 WeakPolarHBondContact O-CB 3.49Å; V246-L249 PolarHBondContact O-N 3.26Å; G247-L249 VanDerWaalsContact C-N 3.32Å
250	Y	96.7	Very high	95.6	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.008	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	158.8	-167.9	-51	-40	0	0	0	112.7	V176 D177 I178 F179 Y208 F226 I243 Q244 G247	V176-Y250 HydrophobicContact CB-CD2 4.25Å; V176-Y250 HydrophobicContact CB-CE2 3.65Å; V176-Y250 HydrophobicContact CG1-CE2 3.67Å; V176-Y250 HydrophobicContact CG2-CE2 4.35Å; D177-Y250 PolarHBondContact O-N 3.46Å; I178-Y250 WeakPolarHBondContact CA-O 3.48Å; I178-Y250 HydrophobicContact CG1-CD2 4.4Å; F179-Y250 PolarHBondContact N-O 3.46Å; Y208-Y250 HydrophobicContact CD2-CE1 4.2Å; Y208-Y250 HydrophobicContact CE2-CD1 4.38Å; Y208-Y250 AromaticContact CE2-CE1 3.9Å; Y208-Y250 HydrophobicContact CE2-CE1 3.9Å; F226-Y250 HydrophobicContact CD1-CE2 4.33Å; I243-Y250 HydrophobicContact CG2-CD1 3.69Å; I243-Y250 HydrophobicContact CG2-CD2 3.64Å; I243-Y250 HydrophobicContact CG2-CE1 3.63Å; I243-Y250 HydrophobicContact CG2-CE2 3.58Å; I243-Y250 HydrophobicContact CG2-CG 3.71Å; Q244-Y250 CarbonylContact O-C 3.42Å; Q244-Y250 WeakPolarHBondContact O-CA 3.34Å; Q244-Y250 WeakPolarHBondContact O-CB 3.35Å; G247-Y250 WeakPolarHBondContact O-CE1 3.49Å
251	T	94	Very high	95.3	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	163	174.1	-179	0	0	0	0	109.9	E198 Y205 Q244	E198-T251 VanDerWaalsContact CD-OG1 3.32Å; E198-T251 PolarHBondContact OE1-OG1 3.06Å; E198-T251 PolarHBondContact OE2-OG1 3.45Å; Y205-T251 HydrophobicContact CE2-CG2 3.7Å; Q244-T251 WeakPolarHBondContact CG-O 3.33Å; Q244-T251 PolarHBondContact O-N 2.85Å
252	D	93.5	Very high	95	Very high	20 Å²	20	30.2 Å²	30.2	11%	0.107	19%	0.187	C	C	.	.	S	Bend	trans	49.3	50.1	175.6	-63.2	-45.6	0	0	0	114.5	R113 K139 Q244	R113-D252 IonicContact CZ-OD1 2.74Å; R113-D252 VanDerWaalsContact CZ-OD1 3.27Å; R113-D252 IonicContact CZ-OD2 2.75Å; R113-D252 IonicContact NH1-OD1 2.69Å; R113-D252 PolarHBondContact NH1-OD1 3.26Å; R113-D252 IonicContact NH1-OD2 2.8Å; R113-D252 IonicContact NH2-OD1 3.49Å; R113-D252 PolarHBondContact NH2-OD1 3.5Å; R113-D252 IonicContact NH2-OD2 3.22Å; R113-D252 PolarHBondContact NH2-OD2 3.4Å; R113-D252 VanDerWaalsContact NH2-OD2 3.11Å; K139-D252 IonicContact NZ-OD1 3.81Å; K139-D252 IonicContact NZ-OD2 3.52Å; K139-D252 PolarHBondContact NZ-OD2 2.95Å; Q244-D252 PolarHBondContact NE2-O 3.02Å
253	P	97.1	Very high	94.9	Very high	12 Å²	12	31 Å²	31	8%	0.078	19%	0.189	C	C	.	.			trans	-70	168.6	174.8	33.1	-35.2	0	0	0	111.2	L156 Q157 A160 I178 V240	L156-P253 HydrophobicContact CD2-CG 4.03Å; L156-P253 WeakPolarHBondContact CD2-O 3.45Å; Q157-P253 HydrophobicContact CB-CG 4.4Å; Q157-P253 HydrophobicContact CG-CG 4.3Å; A160-P253 HydrophobicContact CB-CB 4.09Å; A160-P253 HydrophobicContact CB-CG 3.51Å; I178-P253 HydrophobicContact CD1-CG 4.48Å; I178-P253 HydrophobicContact CG2-CG 4.4Å; V240-P253 HydrophobicContact CG1-CB 4.01Å
254	Q	98.1	Very high	94.7	Very high	25 Å²	25	32.1 Å²	32.1	12%	0.117	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	149.9	166.2	179.5	60.9	55.4	0	0	109.4	N211 V241 D242 Y263 G266	N211-Q254 HydrophobicContact CB-CB 4.14Å; N211-Q254 HydrophobicContact CB-CG 3.91Å; V241-Q254 HydrophobicContact CG2-CB 3.99Å; V241-Q254 HydrophobicContact CG2-CG 4.28Å; V241-Q254 PolarHBondContact N-O 3.2Å; V241-Q254 PolarHBondContact O-N 3.45Å; D242-Q254 HydrophobicContact CB-CB 3.87Å; Q254-Y263 PolarHBondContact NE2-O 3.26Å; Q254-G266 WeakPolarHBondContact CG-O 3.35Å
255	I	98.6	Very high	94.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.3	171.5	-62.3	176.1	0	0	0	108.9	L156 D159 A160 L238 M239 V240 T257 Y263	L156-I255 HydrophobicContact CD2-CD1 4.22Å; L156-I255 HydrophobicContact CD2-CG1 3.94Å; L156-I255 HydrophobicContact CG-CD1 4.29Å; L156-I255 HydrophobicContact CG-CG1 4.18Å; D159-I255 HydrophobicContact CB-CD1 4.17Å; A160-I255 HydrophobicContact CB-CD1 4.27Å; L238-I255 HydrophobicContact CB-CG2 4.09Å; M239-I255 WeakPolarHBondContact O-CA 3.37Å; V240-I255 HydrophobicContact CG2-CG1 4.24Å; I255-T257 HydrophobicContact CG2-CG2 4.19Å; I255-Y263 HydrophobicContact CB-CD1 4.37Å; I255-Y263 HydrophobicContact CB-CD2 3.86Å; I255-Y263 HydrophobicContact CB-CE2 4.27Å; I255-Y263 HydrophobicContact CB-CG 3.9Å; I255-Y263 HydrophobicContact CD1-CD1 4.1Å; I255-Y263 HydrophobicContact CD1-CE1 3.83Å; I255-Y263 HydrophobicContact CD1-CE2 4.32Å; I255-Y263 HydrophobicContact CD1-CG 4.45Å; I255-Y263 HydrophobicContact CG2-CD2 3.7Å; I255-Y263 HydrophobicContact CG2-CE2 3.79Å; I255-Y263 HydrophobicContact CG2-CG 4.27Å
256	H	98.5	Very high	94.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	135.4	163.3	-67.6	-38.6	0	0	0	109.1	N211 L238 M239 G266 N267 L268 G272 M273	N211-H256 PolarHBondContact O-CE1 3.48Å; N211-H256 PolarHBondContact O-NE2 3.15Å; L238-H256 CarbonylContact C-O 3.49Å; L238-H256 WeakPolarHBondContact CA-O 3.42Å; L238-H256 WeakPolarHBondContact CB-O 3.39Å; M239-H256 PolarHBondContact N-O 2.88Å; M239-H256 PolarHBondContact O-N 3.1Å; H256-G266 PolarHBondContact CE1-O 3.34Å; H256-N267 VanDerWaalsContact CA-OD1 3.31Å; H256-N267 WeakPolarHBondContact CA-OD1 3.37Å; H256-L268 PolarHBondContact CE1-N 2.97Å; H256-L268 VanDerWaalsContact CE1-N 3.34Å; H256-L268 PolarHBondContact ND1-N 3.23Å; H256-G272 WeakPolarHBondContact NE2-CA 3.28Å; H256-M273 HydrophobicContact CB-CE 3.98Å; H256-M273 HydrophobicContact CB-CG 4.04Å; H256-M273 WeakPolarHBondContact O-CE 3.1Å
257	T	96.2	Very high	94.8	Very high	13 Å²	13	39.3 Å²	39.3	8%	0.08	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	147.7	172.9	61.7	0	0	0	0	110.6	Q237 L238 I255 D259 G260 K261 Y263 N267 G269	Q237-T257 CarbonylContact O-C 3.44Å; Q237-T257 WeakPolarHBondContact O-CA 3.26Å; L238-T257 HydrophobicContact CB-CG2 4.45Å; I255-T257 HydrophobicContact CG2-CG2 4.19Å; T257-D259 WeakPolarHBondContact CB-OD1 3.48Å; T257-D259 PolarHBondContact O-N 3.07Å; T257-D259 VanDerWaalsContact O-N 3.12Å; T257-D259 PolarHBondContact OG1-OD1 3.19Å; T257-G260 PolarHBondContact O-N 3.34Å; T257-G260 PolarHBondContact OG1-N 3.42Å; T257-K261 PolarHBondContact OG1-N 3.28Å; T257-K261 VanDerWaalsContact OG1-N 3.16Å; T257-K261 PolarHBondContact OG1-O 2.72Å; T257-Y263 HydrophobicContact CG2-CD2 3.62Å; T257-Y263 HydrophobicContact CG2-CE2 3.71Å; T257-N267 PolarHBondContact N-OD1 3.45Å; T257-N267 PolarHBondContact OG1-ND2 2.87Å; T257-G269 WeakPolarHBondContact O-CA 3.34Å
258	A	91.8	Very high	95	Very high	28 Å²	28	41 Å²	41	23%	0.231	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.5	-176.9	0	0	0	0	0	113.7	Q237 I451	Q237-A258 PolarHBondContact O-N 2.68Å; A258-I451 HydrophobicContact CB-CB 4.48Å; A258-I451 HydrophobicContact CB-CD1 3.62Å; A258-I451 HydrophobicContact CB-CG1 3.79Å; A258-I451 HydrophobicContact CB-CG2 3.85Å
259	D	91.7	Very high	95.2	Very high	104 Å²	104	39.7 Å²	39.7	56%	0.556	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-4.7	176.8	68.9	-8.9	0	0	0	114.3	T257 K261	T257-D259 WeakPolarHBondContact CB-OD1 3.48Å; T257-D259 PolarHBondContact O-N 3.07Å; T257-D259 VanDerWaalsContact O-N 3.12Å; T257-D259 PolarHBondContact OG1-OD1 3.19Å; D259-K261 HydrophobicContact CB-CG 4.46Å; D259-K261 PolarHBondContact O-N 3Å; D259-K261 PolarHBondContact OD1-N 2.82Å
260	G	94.2	Very high	95.3	Very high	37 Å²	37	38.3 Å²	38.3	38%	0.381	23%	0.232	S	C	.	.			trans	65.7	17.8	-177	0	0	0	0	0	114.7	T257	T257-G260 PolarHBondContact O-N 3.34Å; T257-G260 PolarHBondContact OG1-N 3.42Å
261	K	93.1	Very high	95.3	Very high	149 Å²	149	43.8 Å²	43.8	65%	0.648	26%	0.256	S	S	*	.			trans	-104.8	147.3	-178	-62.3	178	-174.7	169	0	112.6	T257 D259 N267	T257-K261 PolarHBondContact OG1-N 3.28Å; T257-K261 VanDerWaalsContact OG1-N 3.16Å; T257-K261 PolarHBondContact OG1-O 2.72Å; D259-K261 HydrophobicContact CB-CG 4.46Å; D259-K261 PolarHBondContact O-N 3Å; D259-K261 PolarHBondContact OD1-N 2.82Å; K261-N267 PolarHBondContact O-ND2 3.21Å; K261-N267 VanDerWaalsContact O-ND2 3.14Å
262	G	92.7	Very high	95.5	Very high	53 Å²	53	43.7 Å²	43.7	55%	0.546	26%	0.256	S	S	.	.	S	Bend	trans	73.5	178.7	179.2	0	0	0	0	0	113.3	G264 N267	G262-G264 PolarHBondContact O-N 3.35Å; G262-N267 WeakPolarHBondContact O-CB 3.43Å; G262-N267 PolarHBondContact O-ND2 3.01Å
263	Y	95.3	Very high	95.8	Very high	38 Å²	38	42.8 Å²	42.8	15%	0.149	25%	0.251	C	S	.	.	S	Bend	trans	58.7	27.6	-179.7	-55.8	-64.1	0	0	0	115.4	L156 D159 Q254 I255 T257	L156-Y263 HydrophobicContact CB-CD1 3.7Å; L156-Y263 HydrophobicContact CB-CE1 4.42Å; L156-Y263 HydrophobicContact CD1-CD1 4.36Å; L156-Y263 WeakPolarHBondContact CD1-O 3.47Å; L156-Y263 HydrophobicContact CG-CD1 3.69Å; L156-Y263 HydrophobicContact CG-CG 4.22Å; D159-Y263 HydrophobicContact CB-CE1 4.21Å; D159-Y263 WeakPolarHBondContact OD2-CE1 3.4Å; D159-Y263 PolarHBondContact OD2-OH 3.13Å; Q254-Y263 PolarHBondContact NE2-O 3.26Å; I255-Y263 HydrophobicContact CB-CD1 4.37Å; I255-Y263 HydrophobicContact CB-CD2 3.86Å; I255-Y263 HydrophobicContact CB-CE2 4.27Å; I255-Y263 HydrophobicContact CB-CG 3.9Å; I255-Y263 HydrophobicContact CD1-CD1 4.1Å; I255-Y263 HydrophobicContact CD1-CE1 3.83Å; I255-Y263 HydrophobicContact CD1-CE2 4.32Å; I255-Y263 HydrophobicContact CD1-CG 4.45Å; I255-Y263 HydrophobicContact CG2-CD2 3.7Å; I255-Y263 HydrophobicContact CG2-CE2 3.79Å; I255-Y263 HydrophobicContact CG2-CG 4.27Å; T257-Y263 HydrophobicContact CG2-CD2 3.62Å; T257-Y263 HydrophobicContact CG2-CE2 3.71Å
264	G	92.9	Very high	95.8	Very high	26 Å²	26	42.2 Å²	42.2	27%	0.268	25%	0.247	S	C	.	.			trans	71.3	179.1	173.5	0	0	0	0	0	115.1	G262 G266 N267	G262-G264 PolarHBondContact O-N 3.35Å; G264-G266 PolarHBondContact O-N 3.33Å; G264-G266 VanDerWaalsContact O-N 3.07Å; G264-N267 WeakPolarHBondContact O-CB 3.31Å; G264-N267 PolarHBondContact O-N 3.02Å
265	D	92.7	Very high	95.8	Very high	170 Å²	170	41.2 Å²	41.2	91%	0.909	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.4	-173.2	-62.5	-20.6	0	0	0	114	N267	D265-N267 PolarHBondContact O-N 2.83Å
266	G	94.4	Very high	95.7	Very high	17 Å²	17	41.4 Å²	41.4	18%	0.175	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.1	175	0	0	0	0	0	114.1	N211 Q254 H256 G264 L268	N211-G266 PolarHBondContact ND2-O 3.08Å; Q254-G266 WeakPolarHBondContact CG-O 3.35Å; H256-G266 PolarHBondContact CE1-O 3.34Å; G264-G266 PolarHBondContact O-N 3.33Å; G264-G266 VanDerWaalsContact O-N 3.07Å; G266-L268 PolarHBondContact O-N 2.99Å
267	N	97.5	Very high	95.6	Very high	16 Å²	16	41.5 Å²	41.5	9%	0.086	24%	0.244	C	C	.	.			trans	-75.9	103.3	173.7	-177.7	0.9	0	0	0	109.9	H256 T257 K261 G262 G264 D265 G269	H256-N267 VanDerWaalsContact CA-OD1 3.31Å; H256-N267 WeakPolarHBondContact CA-OD1 3.37Å; T257-N267 PolarHBondContact N-OD1 3.45Å; T257-N267 PolarHBondContact OG1-ND2 2.87Å; K261-N267 PolarHBondContact O-ND2 3.21Å; K261-N267 VanDerWaalsContact O-ND2 3.14Å; G262-N267 WeakPolarHBondContact O-CB 3.43Å; G262-N267 PolarHBondContact O-ND2 3.01Å; G264-N267 WeakPolarHBondContact O-CB 3.31Å; G264-N267 PolarHBondContact O-N 3.02Å; D265-N267 PolarHBondContact O-N 2.83Å; N267-G269 VanDerWaalsContact C-N 3.32Å; N267-G269 PolarHBondContact OD1-N 2.86Å
268	L	97.5	Very high	95.5	Very high	67 Å²	67	42.5 Å²	42.5	35%	0.351	25%	0.246	S	C	.	.			trans	-94.1	6.5	178.8	-55.5	179.9	0	0	0	112	H256 G266 K271 G272	H256-L268 PolarHBondContact CE1-N 2.97Å; H256-L268 VanDerWaalsContact CE1-N 3.34Å; H256-L268 PolarHBondContact ND1-N 3.23Å; G266-L268 PolarHBondContact O-N 2.99Å; L268-K271 VanDerWaalsContact O-CB 3.28Å; L268-K271 WeakPolarHBondContact O-CB 3.31Å; L268-K271 PolarHBondContact O-N 3.45Å; L268-G272 PolarHBondContact O-N 3.46Å
269	G	97.4	Very high	95.5	Very high	3 Å²	3	42.3 Å²	42.3	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	47.5	-136.3	-174.3	0	0	0	0	0	114.8	T257 N267 K271 G272 M273	T257-G269 WeakPolarHBondContact O-CA 3.34Å; N267-G269 VanDerWaalsContact C-N 3.32Å; N267-G269 PolarHBondContact OD1-N 2.86Å; G269-K271 PolarHBondContact O-N 3.14Å; G269-G272 WeakPolarHBondContact O-CA 3.23Å; G269-G272 PolarHBondContact O-N 3.32Å; G269-M273 PolarHBondContact O-N 3.13Å; G269-M273 VanDerWaalsContact O-N 3.1Å
270	T	96.8	Very high	95.6	Very high	23 Å²	23	37.8 Å²	37.8	14%	0.141	22%	0.218	C	C	.	.	H	α-helix	trans	-59	-32.2	-179.9	53.1	0	0	0	0	112.7	G272 M273 A274 I451 A454 I455 D458	T270-G272 VanDerWaalsContact C-N 3.27Å; T270-G272 PolarHBondContact O-N 2.72Å; T270-M273 PolarHBondContact O-N 3.39Å; T270-A274 WeakPolarHBondContact O-CB 3.5Å; T270-A274 PolarHBondContact O-N 2.95Å; T270-I451 HydrophobicContact CG2-CG2 4.43Å; T270-A454 HydrophobicContact CG2-CB 3.85Å; T270-I455 HydrophobicContact CG2-CG1 4.07Å; T270-D458 VanDerWaalsContact C-OD2 3.27Å; T270-D458 VanDerWaalsContact CB-OD2 3.25Å; T270-D458 WeakPolarHBondContact CB-OD2 3.29Å; T270-D458 PolarHBondContact OG1-OD2 3.18Å
271	K	98	Very high	95.4	Very high	116 Å²	116	36.9 Å²	36.9	50%	0.504	21%	0.205	S	C	.	.	H	α-helix	trans	-62.3	-35.4	174.4	-60.5	178.1	-179.1	176.5	0	111.8	L268 G269 L275 D458 Y462	L268-K271 VanDerWaalsContact O-CB 3.28Å; L268-K271 WeakPolarHBondContact O-CB 3.31Å; L268-K271 PolarHBondContact O-N 3.45Å; G269-K271 PolarHBondContact O-N 3.14Å; K271-L275 VanDerWaalsContact O-CG 3.3Å; K271-L275 WeakPolarHBondContact O-CG 3.29Å; K271-L275 PolarHBondContact O-N 3.19Å; K271-D458 HydrophobicContact CG-CB 4.38Å; K271-D458 WeakPolarHBondContact CG-OD2 3.5Å; K271-D458 PolarHBondContact N-OD2 2.92Å; K271-D458 VanDerWaalsContact N-OD2 3.08Å; K271-Y462 WeakPolarHBondContact CB-OH 3.46Å; K271-Y462 WeakPolarHBondContact O-CE2 3.42Å; K271-Y462 PolarHBondContact O-OH 2.89Å
272	G	98.2	Very high	95.2	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-73.6	-42.4	174.6	0	0	0	0	0	112.8	H256 L268 G269 T270 A274 L275 F276	H256-G272 WeakPolarHBondContact NE2-CA 3.28Å; L268-G272 PolarHBondContact O-N 3.46Å; G269-G272 WeakPolarHBondContact O-CA 3.23Å; G269-G272 PolarHBondContact O-N 3.32Å; T270-G272 VanDerWaalsContact C-N 3.27Å; T270-G272 PolarHBondContact O-N 2.72Å; G272-A274 VanDerWaalsContact C-N 3.35Å; G272-A274 PolarHBondContact O-N 3.03Å; G272-L275 PolarHBondContact O-N 3.05Å; G272-F276 PolarHBondContact O-N 3.31Å
273	M	98.1	Very high	95	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.7	-42.1	176	-61.5	175.5	-175.5	0	0	111.6	F231 M239 H256 G269 T270 L275 F276 F277 I455	F231-M273 HydrophobicContact CD2-SD 4.1Å; F231-M273 HydrophobicContact CE2-SD 3.84Å; M239-M273 HydrophobicContact CB-CE 4.38Å; M239-M273 HydrophobicContact CB-CG 4.16Å; M239-M273 HydrophobicContact CE-CB 3.99Å; M239-M273 HydrophobicContact CE-CG 4.09Å; M239-M273 HydrophobicContact SD-CG 4.45Å; H256-M273 HydrophobicContact CB-CE 3.98Å; H256-M273 HydrophobicContact CB-CG 4.04Å; H256-M273 WeakPolarHBondContact O-CE 3.1Å; G269-M273 PolarHBondContact O-N 3.13Å; G269-M273 VanDerWaalsContact O-N 3.1Å; T270-M273 PolarHBondContact O-N 3.39Å; M273-L275 VanDerWaalsContact C-N 3.34Å; M273-L275 PolarHBondContact O-N 3.23Å; M273-F276 WeakPolarHBondContact O-CB 3.35Å; M273-F276 PolarHBondContact O-N 3.04Å; M273-F277 VanDerWaalsContact O-CD2 3.3Å; M273-F277 WeakPolarHBondContact O-CD2 3.25Å; M273-F277 PolarHBondContact O-N 3.42Å; M273-I455 HydrophobicContact CB-CD1 3.96Å; M273-I455 HydrophobicContact CB-CG1 4.12Å; M273-I455 HydrophobicContact SD-CD1 3.95Å; M273-I455 HydrophobicContact SD-CG1 4.48Å
274	A	98	Very high	94.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-55.5	-46.9	173.3	0	0	0	0	0	111.7	T270 G272 F276 F277 Y278 I455 D458 L459 Y462	T270-A274 WeakPolarHBondContact O-CB 3.5Å; T270-A274 PolarHBondContact O-N 2.95Å; G272-A274 VanDerWaalsContact C-N 3.35Å; G272-A274 PolarHBondContact O-N 3.03Å; A274-F276 PolarHBondContact O-N 3.43Å; A274-F277 PolarHBondContact O-N 2.9Å; A274-Y278 WeakPolarHBondContact O-CB 3.44Å; A274-Y278 PolarHBondContact O-N 3Å; A274-I455 HydrophobicContact CB-CG2 3.99Å; A274-D458 HydrophobicContact CB-CB 4.04Å; A274-L459 HydrophobicContact CB-CD2 3.97Å; A274-L459 HydrophobicContact CB-CG 3.83Å; A274-L459 WeakPolarHBondContact O-CD2 3.43Å; A274-Y462 HydrophobicContact CB-CD2 4.32Å; A274-Y462 HydrophobicContact CB-CE2 4.04Å
275	L	97.5	Very high	94.6	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-66	-36.6	178.6	-66.5	170.4	0	0	0	113.4	K271 G272 M273 T279 Y462 K467 F468	K271-L275 VanDerWaalsContact O-CG 3.3Å; K271-L275 WeakPolarHBondContact O-CG 3.29Å; K271-L275 PolarHBondContact O-N 3.19Å; G272-L275 PolarHBondContact O-N 3.05Å; M273-L275 VanDerWaalsContact C-N 3.34Å; M273-L275 PolarHBondContact O-N 3.23Å; L275-T279 PolarHBondContact O-N 2.91Å; L275-T279 PolarHBondContact O-OG1 3.19Å; L275-Y462 HydrophobicContact CD1-CE2 4.34Å; L275-Y462 WeakPolarHBondContact CD1-OH 3.1Å; L275-Y462 HydrophobicContact CD2-CD2 3.98Å; L275-Y462 HydrophobicContact CD2-CE1 4.35Å; L275-Y462 HydrophobicContact CD2-CE2 3.66Å; L275-Y462 HydrophobicContact CD2-CG 4.44Å; L275-Y462 HydrophobicContact CG-CD2 4.42Å; L275-Y462 HydrophobicContact CG-CE2 3.66Å; L275-K467 HydrophobicContact CD2-CD 3.81Å; L275-F468 HydrophobicContact CD2-CE1 3.99Å; L275-F468 HydrophobicContact CD2-CZ 4.15Å
276	F	97.6	Very high	94.5	Very high	3 Å²	3	23.6 Å²	23.6	1%	0.013	12%	0.117	C	C	.	.	H	α-helix	trans	-61.2	-51.2	172	174.3	-92.7	0	0	0	110.4	H228 M239 V241 G272 M273 A274 Y278 T279 H280	H228-F276 HydrophobicContact CB-CE1 4.26Å; H228-F276 HydrophobicContact CB-CZ 4.31Å; M239-F276 HydrophobicContact CE-CB 4.38Å; M239-F276 HydrophobicContact CE-CD1 3.6Å; M239-F276 HydrophobicContact CE-CE1 4.24Å; M239-F276 HydrophobicContact CE-CG 4.19Å; M239-F276 HydrophobicContact SD-CB 3.65Å; M239-F276 HydrophobicContact SD-CD1 3.43Å; M239-F276 WeakPolarHBondContact SD-CD1 3.37Å; M239-F276 HydrophobicContact SD-CD2 4.15Å; M239-F276 HydrophobicContact SD-CE1 4.12Å; M239-F276 HydrophobicContact SD-CG 3.45Å; M239-F276 WeakPolarHBondContact SD-CG 3.42Å; V241-F276 HydrophobicContact CG1-CD2 4.32Å; G272-F276 PolarHBondContact O-N 3.31Å; M273-F276 WeakPolarHBondContact O-CB 3.35Å; M273-F276 PolarHBondContact O-N 3.04Å; A274-F276 PolarHBondContact O-N 3.43Å; F276-Y278 VanDerWaalsContact C-N 3.35Å; F276-Y278 PolarHBondContact O-N 3.37Å; F276-T279 PolarHBondContact O-N 3.34Å; F276-T279 VanDerWaalsContact O-N 3.15Å; F276-T279 PolarHBondContact O-OG1 2.91Å; F276-H280 HydrophobicContact CD1-CB 4.28Å; F276-H280 HydrophobicContact CE1-CB 3.93Å; F276-H280 AromaticContact CE1-CD2 3.93Å; F276-H280 AromaticContact CE1-CG 3.82Å; F276-H280 HydrophobicContact CZ-CB 4.18Å; F276-H280 AromaticContact CZ-CG 3.92Å; F276-H280 AromaticContact CZ-ND1 3.95Å; F276-H280 VanDerWaalsContact O-CB 3.22Å; F276-H280 WeakPolarHBondContact O-CB 3.17Å; F276-H280 PolarHBondContact O-N 3.02Å
277	F	95.7	Very high	94.2	Very high	2 Å²	2	27 Å²	27	1%	0.009	13%	0.128	C	C	.	.	H	α-helix	trans	-66.7	-34.9	-177.1	-79.8	-58.8	0	0	0	113.8	H228 F231 M239 M273 A274 T279 H280 F294 I455	H228-F277 AromaticContact CD2-CE1 3.69Å; H228-F277 AromaticContact CD2-CZ 4Å; H228-F277 AromaticContact NE2-CE1 3.91Å; F231-F277 HydrophobicContact CB-CZ 4.35Å; F231-F277 AromaticContact CD1-CE2 3.69Å; F231-F277 HydrophobicContact CD1-CE2 3.69Å; F231-F277 AromaticContact CD1-CZ 3.33Å; F231-F277 HydrophobicContact CD1-CZ 3.33Å; F231-F277 HydrophobicContact CD2-CE2 4.01Å; F231-F277 HydrophobicContact CD2-CZ 4.37Å; F231-F277 AromaticContact CE1-CE2 3.54Å; F231-F277 HydrophobicContact CE1-CE2 3.54Å; F231-F277 AromaticContact CE1-CZ 3.51Å; F231-F277 HydrophobicContact CE1-CZ 3.51Å; F231-F277 AromaticContact CE2-CE2 3.91Å; F231-F277 HydrophobicContact CE2-CE2 3.91Å; F231-F277 AromaticContact CG-CE2 3.88Å; F231-F277 HydrophobicContact CG-CE2 3.88Å; F231-F277 AromaticContact CG-CZ 3.76Å; F231-F277 HydrophobicContact CG-CZ 3.76Å; F231-F277 AromaticContact CZ-CE2 3.66Å; F231-F277 HydrophobicContact CZ-CE2 3.66Å; F231-F277 HydrophobicContact CZ-CZ 4.14Å; M239-F277 HydrophobicContact CE-CD2 3.91Å; M239-F277 HydrophobicContact CE-CE2 3.29Å; M239-F277 HydrophobicContact CE-CZ 3.68Å; M273-F277 VanDerWaalsContact O-CD2 3.3Å; M273-F277 WeakPolarHBondContact O-CD2 3.25Å; M273-F277 PolarHBondContact O-N 3.42Å; A274-F277 PolarHBondContact O-N 2.9Å; F277-T279 PolarHBondContact O-N 2.87Å; F277-H280 PolarHBondContact O-N 3.08Å; F277-F294 HydrophobicContact CB-CB 4.33Å; F277-F294 HydrophobicContact CB-CD1 3.64Å; F277-F294 HydrophobicContact CB-CD2 4.17Å; F277-F294 HydrophobicContact CB-CE1 3.93Å; F277-F294 HydrophobicContact CB-CE2 4.44Å; F277-F294 HydrophobicContact CB-CG 3.77Å; F277-F294 HydrophobicContact CB-CZ 4.33Å; F277-F294 HydrophobicContact CD1-CB 3.32Å; F277-F294 HydrophobicContact CD1-CD1 4.25Å; F277-F294 AromaticContact CD1-CD2 3.94Å; F277-F294 HydrophobicContact CD1-CD2 3.94Å; F277-F294 AromaticContact CD1-CG 3.57Å; F277-F294 HydrophobicContact CD1-CG 3.57Å; F277-F294 AromaticContact CD2-CD2 3.64Å; F277-F294 HydrophobicContact CD2-CD2 3.64Å; F277-F294 AromaticContact CD2-CE2 3.93Å; F277-F294 HydrophobicContact CD2-CE2 3.93Å; F277-F294 HydrophobicContact CD2-CG 4.03Å; F277-F294 HydrophobicContact CE1-CB 3.66Å; F277-F294 HydrophobicContact CE1-CD2 4.23Å; F277-F294 HydrophobicContact CE1-CG 4.15Å; F277-F294 AromaticContact CE2-CD2 3.93Å; F277-F294 HydrophobicContact CE2-CD2 3.93Å; F277-F294 HydrophobicContact CE2-CE2 4.42Å; F277-F294 HydrophobicContact CG-CB 3.85Å; F277-F294 AromaticContact CG-CD1 3.95Å; F277-F294 HydrophobicContact CG-CD1 3.95Å; F277-F294 AromaticContact CG-CD2 3.65Å; F277-F294 HydrophobicContact CG-CD2 3.65Å; F277-F294 HydrophobicContact CG-CE1 4.45Å; F277-F294 HydrophobicContact CG-CE2 4.18Å; F277-F294 AromaticContact CG-CG 3.52Å; F277-F294 HydrophobicContact CG-CG 3.52Å; F277-F294 HydrophobicContact CZ-CB 4.41Å; F277-F294 HydrophobicContact CZ-CD2 4.23Å; F277-I455 HydrophobicContact CD2-CG2 4.43Å
278	Y	94.5	Very high	93.6	Very high	34 Å²	34	27.3 Å²	27.3	13%	0.133	13%	0.131	C	C	.	.	H	α-helix	trans	-57	-38.7	172.8	-179.1	-101.6	0	0	0	112.4	A274 F276 E300 L459 F468	A274-Y278 WeakPolarHBondContact O-CB 3.44Å; A274-Y278 PolarHBondContact O-N 3Å; F276-Y278 VanDerWaalsContact C-N 3.35Å; F276-Y278 PolarHBondContact O-N 3.37Å; Y278-E300 WeakPolarHBondContact CD2-OE1 3.38Å; Y278-E300 HydrophobicContact CE2-CG 4.11Å; Y278-E300 WeakPolarHBondContact CE2-OE1 3.48Å; Y278-L459 HydrophobicContact CD2-CD2 4.41Å; Y278-F468 AromaticContact CD1-CD1 3.45Å; Y278-F468 HydrophobicContact CD1-CD1 3.45Å; Y278-F468 VanDerWaalsContact CD1-CD1 3.45Å; Y278-F468 HydrophobicContact CD1-CD2 4.45Å; Y278-F468 AromaticContact CD1-CE1 3.2Å; Y278-F468 HydrophobicContact CD1-CE1 3.2Å; Y278-F468 HydrophobicContact CD1-CE2 4.25Å; Y278-F468 HydrophobicContact CD1-CG 4.09Å; Y278-F468 AromaticContact CD1-CZ 3.64Å; Y278-F468 HydrophobicContact CD1-CZ 3.64Å; Y278-F468 HydrophobicContact CD2-CD1 4.33Å; Y278-F468 AromaticContact CD2-CD2 3.87Å; Y278-F468 HydrophobicContact CD2-CD2 3.87Å; Y278-F468 HydrophobicContact CD2-CE1 4.07Å; Y278-F468 AromaticContact CD2-CE2 3.56Å; Y278-F468 HydrophobicContact CD2-CE2 3.56Å; Y278-F468 HydrophobicContact CD2-CG 4.23Å; Y278-F468 AromaticContact CD2-CZ 3.67Å; Y278-F468 HydrophobicContact CD2-CZ 3.67Å; Y278-F468 HydrophobicContact CE1-CB 4.07Å; Y278-F468 AromaticContact CE1-CD1 3.13Å; Y278-F468 HydrophobicContact CE1-CD1 3.13Å; Y278-F468 HydrophobicContact CE1-CD2 4.15Å; Y278-F468 AromaticContact CE1-CE1 3.47Å; Y278-F468 HydrophobicContact CE1-CE1 3.47Å; Y278-F468 VanDerWaalsContact CE1-CE1 3.47Å; Y278-F468 HydrophobicContact CE1-CE2 4.4Å; Y278-F468 AromaticContact CE1-CG 3.51Å; Y278-F468 HydrophobicContact CE1-CG 3.51Å; Y278-F468 HydrophobicContact CE1-CZ 4.1Å; Y278-F468 HydrophobicContact CE2-CB 4.26Å; Y278-F468 HydrophobicContact CE2-CD1 4.09Å; Y278-F468 AromaticContact CE2-CD2 3.52Å; Y278-F468 HydrophobicContact CE2-CD2 3.52Å; Y278-F468 HydrophobicContact CE2-CE1 4.3Å; Y278-F468 AromaticContact CE2-CE2 3.75Å; Y278-F468 HydrophobicContact CE2-CE2 3.75Å; Y278-F468 AromaticContact CE2-CG 3.69Å; Y278-F468 HydrophobicContact CE2-CG 3.69Å; Y278-F468 HydrophobicContact CE2-CZ 4.13Å; Y278-F468 HydrophobicContact CG-CD1 4.06Å; Y278-F468 HydrophobicContact CG-CD2 4.34Å; Y278-F468 AromaticContact CG-CE1 3.55Å; Y278-F468 HydrophobicContact CG-CE1 3.55Å; Y278-F468 AromaticContact CG-CE2 3.85Å; Y278-F468 HydrophobicContact CG-CE2 3.85Å; Y278-F468 HydrophobicContact CG-CG 4.42Å; Y278-F468 AromaticContact CG-CZ 3.42Å; Y278-F468 HydrophobicContact CG-CZ 3.42Å; Y278-F468 VanDerWaalsContact CG-CZ 3.42Å; Y278-F468 AromaticContact CZ-CD1 3.51Å; Y278-F468 AromaticContact CZ-CD2 3.69Å; Y278-F468 AromaticContact CZ-CG 3.3Å; Y278-F468 WeakPolarHBondContact OH-CB 3.06Å
279	T	92.4	Very high	93	Very high	25 Å²	25	24.1 Å²	24.1	15%	0.153	12%	0.115	C	C	.	.	H	α-helix	trans	-96.5	-14	-178.1	65.1	0	0	0	0	114.6	G213 V215 L275 F276 F277	G213-T279 WeakPolarHBondContact O-CB 3.33Å; G213-T279 WeakPolarHBondContact O-CG2 3.42Å; G213-T279 PolarHBondContact O-OG1 3.45Å; V215-T279 WeakPolarHBondContact CG2-OG1 3.14Å; L275-T279 PolarHBondContact O-N 2.91Å; L275-T279 PolarHBondContact O-OG1 3.19Å; F276-T279 PolarHBondContact O-N 3.34Å; F276-T279 VanDerWaalsContact O-N 3.15Å; F276-T279 PolarHBondContact O-OG1 2.91Å; F277-T279 PolarHBondContact O-N 2.87Å
280	H	93	Very high	92.4	Very high	9 Å²	9	26.7 Å²	26.7	4%	0.042	14%	0.141	C	C	.	.			trans	-71.5	154.5	180	-176.4	49.2	0	0	0	112.6	H228 F276 F277	H228-H280 AromaticContact CE1-NE2 3.91Å; H228-H280 AromaticContact CG-NE2 3.42Å; H228-H280 AromaticContact ND1-NE2 3.19Å; H228-H280 PolarHBondContact ND1-NE2 2.61Å; H228-H280 VanDerWaalsContact ND1-NE2 3.19Å; F276-H280 HydrophobicContact CD1-CB 4.28Å; F276-H280 HydrophobicContact CE1-CB 3.93Å; F276-H280 AromaticContact CE1-CD2 3.93Å; F276-H280 AromaticContact CE1-CG 3.82Å; F276-H280 HydrophobicContact CZ-CB 4.18Å; F276-H280 AromaticContact CZ-CG 3.92Å; F276-H280 AromaticContact CZ-ND1 3.95Å; F276-H280 VanDerWaalsContact O-CB 3.22Å; F276-H280 WeakPolarHBondContact O-CB 3.17Å; F276-H280 PolarHBondContact O-N 3.02Å; F277-H280 PolarHBondContact O-N 3.08Å
281	S	90	Very high	91.9	Very high	17 Å²	17	26.2 Å²	26.2	12%	0.119	14%	0.138	C	C	.	.			trans	-146.9	118.1	168.8	-65.1	0	0	0	0	107	N283 Y308	S281-N283 PolarHBondContact O-N 3.12Å; S281-Y308 VanDerWaalsContact CB-CD2 3.44Å
282	C	89.1	Confident	91.3	Very high	18 Å²	18	21.6 Å²	21.6	12%	0.122	12%	0.121	C	C	.	.			trans	-53.8	125.9	-178.1	-78.1	0	0	0	0	110.8	H228 C286 R293 Y308	H228-C282 PolarHBondContact CE1-SG 3.46Å; C282-C286 HydrophobicContact CB-CB 4.09Å; C282-R293 HydrophobicContact CB-CG 4.17Å; C282-Y308 WeakPolarHBondContact O-CE2 3.29Å; C282-Y308 PolarHBondContact O-OH 3.23Å
283	N	89.6	Confident	90.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.			trans	-104.3	175.9	179.4	63.1	46	0	0	0	111.5	Q221 S281 I285 C286 E287 Y308	Q221-N283 WeakPolarHBondContact CA-ND2 3.45Å; Q221-N283 HydrophobicContact CB-CB 4.25Å; Q221-N283 HydrophobicContact CG-CB 4.01Å; Q221-N283 PolarHBondContact O-ND2 3.3Å; S281-N283 PolarHBondContact O-N 3.12Å; N283-I285 PolarHBondContact O-N 2.92Å; N283-I285 VanDerWaalsContact O-N 3.09Å; N283-I285 WeakPolarHBondContact OD1-CB 3.27Å; N283-I285 PolarHBondContact OD1-N 3.26Å; N283-C286 WeakPolarHBondContact O-CA 3.48Å; N283-C286 VanDerWaalsContact O-CB 3.3Å; N283-C286 WeakPolarHBondContact O-CB 3.22Å; N283-C286 PolarHBondContact O-N 3.1Å; N283-C286 PolarHBondContact OD1-N 3.3Å; N283-C286 VanDerWaalsContact OD1-N 3.16Å; N283-C286 PolarHBondContact OD1-SG 3.07Å; N283-E287 PolarHBondContact O-N 3.08Å; N283-Y308 WeakPolarHBondContact CA-OH 3.25Å; N283-Y308 HydrophobicContact CB-CE2 4.18Å
284	R	88.6	Confident	90.5	Very high	135 Å²	135	29.2 Å²	29.2	51%	0.509	15%	0.15	S	C	.	.	H	α-helix	trans	-56.5	-28.3	-179	-64.4	-175.5	-176.2	-174.6	0.9	113.2	S288	R284-S288 WeakPolarHBondContact O-CB 3.14Å; R284-S288 PolarHBondContact O-N 3.3Å; R284-S288 PolarHBondContact O-OG 3.34Å
285	I	90.7	Very high	90.2	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.015	15%	0.153	C	C	.	.	H	α-helix	trans	-72.2	-45	176.3	-53.2	177.3	0	0	0	109.9	F167 P173 Q221 A225 N283 E287 S288 L289 T317	F167-I285 HydrophobicContact CZ-CG2 4.44Å; P173-I285 HydrophobicContact CG-CG1 4.19Å; Q221-I285 HydrophobicContact CB-CD1 3.76Å; Q221-I285 HydrophobicContact CB-CG1 4.3Å; A225-I285 HydrophobicContact CB-CB 3.65Å; A225-I285 HydrophobicContact CB-CG2 3.59Å; N283-I285 PolarHBondContact O-N 2.92Å; N283-I285 VanDerWaalsContact O-N 3.09Å; N283-I285 WeakPolarHBondContact OD1-CB 3.27Å; N283-I285 PolarHBondContact OD1-N 3.26Å; I285-E287 VanDerWaalsContact C-N 3.28Å; I285-E287 PolarHBondContact O-N 3.06Å; I285-S288 WeakPolarHBondContact CA-OG 3.49Å; I285-S288 PolarHBondContact O-N 2.76Å; I285-S288 PolarHBondContact O-OG 3.14Å; I285-L289 HydrophobicContact CG2-CD1 3.89Å; I285-L289 HydrophobicContact CG2-CG 4.4Å; I285-L289 WeakPolarHBondContact O-CB 3.39Å; I285-L289 WeakPolarHBondContact O-CG 3.3Å; I285-L289 PolarHBondContact O-N 3.1Å; I285-T317 HydrophobicContact CD1-CG2 4.45Å
286	C	90.8	Very high	90	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-55.8	-46.5	174	-56.7	0	0	0	0	111	C282 N283 L289 G290 L291	C282-C286 HydrophobicContact CB-CB 4.09Å; N283-C286 WeakPolarHBondContact O-CA 3.48Å; N283-C286 VanDerWaalsContact O-CB 3.3Å; N283-C286 WeakPolarHBondContact O-CB 3.22Å; N283-C286 PolarHBondContact O-N 3.1Å; N283-C286 PolarHBondContact OD1-N 3.3Å; N283-C286 VanDerWaalsContact OD1-N 3.16Å; N283-C286 PolarHBondContact OD1-SG 3.07Å; C286-L289 PolarHBondContact O-N 3.21Å; C286-G290 PolarHBondContact O-N 3.08Å; C286-L291 HydrophobicContact CB-CB 4.36Å; C286-L291 HydrophobicContact CB-CD1 4.05Å; C286-L291 HydrophobicContact CB-CG 4.48Å; C286-L291 WeakPolarHBondContact O-CG 3.47Å; C286-L291 PolarHBondContact O-N 2.78Å
287	E	87.7	Confident	89.8	Confident	90 Å²	90	30.4 Å²	30.4	42%	0.421	16%	0.156	S	C	.	.	H	α-helix	trans	-62.2	-44.1	177.4	-67.2	171.3	-179.3	0	0	111.6	N283 I285 L289 G290 R293	N283-E287 PolarHBondContact O-N 3.08Å; I285-E287 VanDerWaalsContact C-N 3.28Å; I285-E287 PolarHBondContact O-N 3.06Å; E287-L289 VanDerWaalsContact C-N 3.3Å; E287-L289 PolarHBondContact O-N 3.18Å; E287-G290 PolarHBondContact O-N 3.17Å; E287-G290 VanDerWaalsContact O-N 3.09Å; E287-R293 VanDerWaalsContact CD-NH2 3.34Å; E287-R293 IonicContact OE1-CZ 3.39Å; E287-R293 IonicContact OE1-NH2 3.88Å; E287-R293 PolarHBondContact OE1-NH2 3.36Å
288	S	84.8	Confident	89.7	Confident	22 Å²	22	34 Å²	34	15%	0.154	18%	0.18	C	C	.	.	H	α-helix	trans	-64.6	-33.6	178.7	70.9	0	0	0	0	113.4	R284 I285 G290 Y319 V324	R284-S288 WeakPolarHBondContact O-CB 3.14Å; R284-S288 PolarHBondContact O-N 3.3Å; R284-S288 PolarHBondContact O-OG 3.34Å; I285-S288 WeakPolarHBondContact CA-OG 3.49Å; I285-S288 PolarHBondContact O-N 2.76Å; I285-S288 PolarHBondContact O-OG 3.14Å; S288-G290 PolarHBondContact O-N 3.32Å; S288-Y319 WeakPolarHBondContact CB-OH 3.5Å; S288-V324 WeakPolarHBondContact O-CG1 3.36Å
289	L	85.1	Confident	89.6	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.7	177.5	-68.4	170.7	0	0	0	112.5	F167 H170 F229 I285 C286 E287 L291 V324 C327	F167-L289 HydrophobicContact CD2-CD1 4.18Å; F167-L289 HydrophobicContact CE2-CD1 3.46Å; F167-L289 VanDerWaalsContact CE2-CD1 3.46Å; F167-L289 HydrophobicContact CZ-CD1 4.24Å; H170-L289 HydrophobicContact CB-CD2 3.77Å; F229-L289 HydrophobicContact CB-CD1 4.5Å; F229-L289 HydrophobicContact CD2-CD1 4.21Å; I285-L289 HydrophobicContact CG2-CD1 3.89Å; I285-L289 HydrophobicContact CG2-CG 4.4Å; I285-L289 WeakPolarHBondContact O-CB 3.39Å; I285-L289 WeakPolarHBondContact O-CG 3.3Å; I285-L289 PolarHBondContact O-N 3.1Å; C286-L289 PolarHBondContact O-N 3.21Å; E287-L289 VanDerWaalsContact C-N 3.3Å; E287-L289 PolarHBondContact O-N 3.18Å; L289-L291 VanDerWaalsContact C-N 3.34Å; L289-L291 HydrophobicContact CB-CD1 4.49Å; L289-L291 HydrophobicContact CB-CD2 4.03Å; L289-L291 HydrophobicContact CB-CG 3.9Å; L289-V324 HydrophobicContact CD2-CG1 4.26Å; L289-C327 WeakPolarHBondContact O-CB 3.04Å
290	G	83.7	Confident	89.7	Confident	56 Å²	56	34.1 Å²	34.1	58%	0.577	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.2	28.4	-178.1	0	0	0	0	0	113.7	C286 E287 S288	C286-G290 PolarHBondContact O-N 3.08Å; E287-G290 PolarHBondContact O-N 3.17Å; E287-G290 VanDerWaalsContact O-N 3.09Å; S288-G290 PolarHBondContact O-N 3.32Å
291	L	86.2	Confident	89.5	Confident	14 Å²	14	39.3 Å²	39.3	7%	0.073	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-70.6	134.2	179.6	-54.3	-173.9	0	0	0	110.5	H228 F229 E232 C286 L289	H228-L291 HydrophobicContact CB-CD1 3.95Å; H228-L291 VanDerWaalsContact CE1-CB 3.5Å; H228-L291 WeakPolarHBondContact CE1-CB 3.46Å; H228-L291 WeakPolarHBondContact ND1-CD1 3.36Å; F229-L291 HydrophobicContact CB-CD1 4.06Å; F229-L291 HydrophobicContact CB-CD2 4.38Å; F229-L291 HydrophobicContact CD2-CD2 4.15Å; E232-L291 HydrophobicContact CB-CD2 3.98Å; E232-L291 HydrophobicContact CG-CB 4.1Å; E232-L291 HydrophobicContact CG-CD2 4.07Å; C286-L291 HydrophobicContact CB-CB 4.36Å; C286-L291 HydrophobicContact CB-CD1 4.05Å; C286-L291 HydrophobicContact CB-CG 4.48Å; C286-L291 WeakPolarHBondContact O-CG 3.47Å; C286-L291 PolarHBondContact O-N 2.78Å; L289-L291 VanDerWaalsContact C-N 3.34Å; L289-L291 HydrophobicContact CB-CD1 4.49Å; L289-L291 HydrophobicContact CB-CD2 4.03Å; L289-L291 HydrophobicContact CB-CG 3.9Å
292	A	85.4	Confident	89.5	Confident	18 Å²	18	40.7 Å²	40.7	15%	0.149	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-62.1	143.7	174.9	0	0	0	0	0	110.3	H228 E232 P421 A422	H228-A292 PolarHBondContact CE1-O 3.19Å; H228-A292 PolarHBondContact NE2-O 3.32Å; E232-A292 VanDerWaalsContact OE2-CB 3.29Å; E232-A292 WeakPolarHBondContact OE2-CB 3.3Å; E232-A292 PolarHBondContact OE2-N 3.3Å; A292-P421 HydrophobicContact CB-CB 3.48Å; A292-P421 VanDerWaalsContact CB-CB 3.48Å; A292-A422 HydrophobicContact CB-CB 4.07Å
293	R	89.2	Confident	89.3	Confident	143 Å²	143	43.2 Å²	43.2	54%	0.54	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-82.2	127.7	173.7	-66.3	-168.9	174	90.1	-3.7	108.3	C282 E287 C423	C282-R293 HydrophobicContact CB-CG 4.17Å; E287-R293 VanDerWaalsContact CD-NH2 3.34Å; E287-R293 IonicContact OE1-CZ 3.39Å; E287-R293 IonicContact OE1-NH2 3.88Å; E287-R293 PolarHBondContact OE1-NH2 3.36Å; R293-C423 VanDerWaalsContact O-CB 3.25Å; R293-C423 WeakPolarHBondContact O-CB 3.48Å
294	F	91.6	Very high	89.1	Confident	18 Å²	18	45.1 Å²	45.1	8%	0.079	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-63.5	140.1	170.7	-172.2	-91.4	0	0	0	111.3	F277 L296 A422 I455 H456 L459	F277-F294 HydrophobicContact CB-CB 4.33Å; F277-F294 HydrophobicContact CB-CD1 3.64Å; F277-F294 HydrophobicContact CB-CD2 4.17Å; F277-F294 HydrophobicContact CB-CE1 3.93Å; F277-F294 HydrophobicContact CB-CE2 4.44Å; F277-F294 HydrophobicContact CB-CG 3.77Å; F277-F294 HydrophobicContact CB-CZ 4.33Å; F277-F294 HydrophobicContact CD1-CB 3.32Å; F277-F294 HydrophobicContact CD1-CD1 4.25Å; F277-F294 AromaticContact CD1-CD2 3.94Å; F277-F294 HydrophobicContact CD1-CD2 3.94Å; F277-F294 AromaticContact CD1-CG 3.57Å; F277-F294 HydrophobicContact CD1-CG 3.57Å; F277-F294 AromaticContact CD2-CD2 3.64Å; F277-F294 HydrophobicContact CD2-CD2 3.64Å; F277-F294 AromaticContact CD2-CE2 3.93Å; F277-F294 HydrophobicContact CD2-CE2 3.93Å; F277-F294 HydrophobicContact CD2-CG 4.03Å; F277-F294 HydrophobicContact CE1-CB 3.66Å; F277-F294 HydrophobicContact CE1-CD2 4.23Å; F277-F294 HydrophobicContact CE1-CG 4.15Å; F277-F294 AromaticContact CE2-CD2 3.93Å; F277-F294 HydrophobicContact CE2-CD2 3.93Å; F277-F294 HydrophobicContact CE2-CE2 4.42Å; F277-F294 HydrophobicContact CG-CB 3.85Å; F277-F294 AromaticContact CG-CD1 3.95Å; F277-F294 HydrophobicContact CG-CD1 3.95Å; F277-F294 AromaticContact CG-CD2 3.65Å; F277-F294 HydrophobicContact CG-CD2 3.65Å; F277-F294 HydrophobicContact CG-CE1 4.45Å; F277-F294 HydrophobicContact CG-CE2 4.18Å; F277-F294 AromaticContact CG-CG 3.52Å; F277-F294 HydrophobicContact CG-CG 3.52Å; F277-F294 HydrophobicContact CZ-CB 4.41Å; F277-F294 HydrophobicContact CZ-CD2 4.23Å; F294-L296 HydrophobicContact CD1-CD2 3.91Å; F294-L296 HydrophobicContact CD1-CG 4.35Å; F294-L296 HydrophobicContact CE1-CD2 4.21Å; F294-L296 PolarHBondContact O-N 3.11Å; F294-A422 HydrophobicContact CD2-CB 4.48Å; F294-I455 HydrophobicContact CE2-CB 4.43Å; F294-I455 HydrophobicContact CE2-CG2 3.68Å; F294-I455 HydrophobicContact CZ-CG2 3.63Å; F294-H456 AromaticContact CE1-CE1 3.6Å; F294-H456 AromaticContact CE1-ND1 3.97Å; F294-H456 AromaticContact CZ-CE1 3.34Å; F294-H456 WeakPolarHBondContact CZ-CE1 3.37Å; F294-H456 AromaticContact CZ-ND1 3.59Å; F294-H456 AromaticContact CZ-NE2 3.89Å; F294-L459 HydrophobicContact CE1-CD1 3.44Å; F294-L459 VanDerWaalsContact CE1-CD1 3.44Å; F294-L459 HydrophobicContact CZ-CD1 3.67Å
295	D	90.7	Very high	88.6	Confident	14 Å²	14	46.1 Å²	46.1	8%	0.075	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-73.8	117	179.6	-79.2	-22.2	0	0	0	112.5	C423 L424 V425 H456 F482 H483	D295-C423 PolarHBondContact OD1-SG 2.89Å; D295-L424 VanDerWaalsContact OD2-CA 3.3Å; D295-L424 WeakPolarHBondContact OD2-CA 3.47Å; D295-L424 WeakPolarHBondContact OD2-CB 3.32Å; D295-L424 PolarHBondContact OD2-N 3.06Å; D295-V425 PolarHBondContact OD2-N 3.44Å; D295-H456 PolarHBondContact O-CE1 2.62Å; D295-H456 VanDerWaalsContact O-CE1 3.32Å; D295-F482 HydrophobicContact CB-CE1 4.24Å; D295-F482 HydrophobicContact CB-CZ 4.11Å; D295-H483 PolarHBondContact O-CE1 3.44Å
296	L	93.1	Very high	87.9	Confident	20 Å²	20	55.4 Å²	55.4	11%	0.105	28%	0.28	C	S	.	.			trans	-113.1	146.6	174.2	-66.4	177.4	0	0	0	109.8	F294 E300 R301 R304 F482	F294-L296 HydrophobicContact CD1-CD2 3.91Å; F294-L296 HydrophobicContact CD1-CG 4.35Å; F294-L296 HydrophobicContact CE1-CD2 4.21Å; F294-L296 PolarHBondContact O-N 3.11Å; L296-E300 WeakPolarHBondContact CA-OE2 3.28Å; L296-E300 HydrophobicContact CB-CB 4.08Å; L296-E300 WeakPolarHBondContact CB-OE2 3.26Å; L296-E300 WeakPolarHBondContact CD2-OE2 3.45Å; L296-R301 HydrophobicContact CB-CG 3.62Å; L296-R301 WeakPolarHBondContact O-CD 3.3Å; L296-R301 PolarHBondContact O-NE 2.96Å; L296-R304 HydrophobicContact CD1-CG 4.02Å; L296-F482 VanDerWaalsContact C-CE1 3.49Å
297	A	94.9	Very high	87.2	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.291	C	S	.	.			trans	-58.5	153.8	177.2	0	0	0	0	0	110.9	T299 E300 R301 S479 F482	A297-T299 PolarHBondContact O-N 2.87Å; A297-E300 HydrophobicContact CB-CB 4.36Å; A297-E300 HydrophobicContact CB-CG 4.03Å; A297-E300 PolarHBondContact N-OE2 3.25Å; A297-E300 PolarHBondContact O-N 3.4Å; A297-R301 WeakPolarHBondContact O-CB 3.16Å; A297-R301 WeakPolarHBondContact O-CG 3.25Å; A297-R301 PolarHBondContact O-N 3.45Å; A297-S479 WeakPolarHBondContact CB-OG 3.45Å; A297-F482 HydrophobicContact CB-CB 3.86Å; A297-F482 HydrophobicContact CB-CD1 3.67Å; A297-F482 HydrophobicContact CB-CE1 4.41Å; A297-F482 HydrophobicContact CB-CG 3.78Å
298	P	93.5	Very high	86.5	Confident	77 Å²	77	54.6 Å²	54.6	50%	0.5	28%	0.278	S	S	.	.	H	α-helix	trans	-51	-40.8	177.4	-25.8	32.5	0	0	0	114	A302	P298-A302 WeakPolarHBondContact O-CB 3.23Å; P298-A302 PolarHBondContact O-N 3.46Å
299	T	92.5	Very high	85.8	Confident	55 Å²	55	56 Å²	56	34%	0.337	29%	0.292	S	S	.	.	H	α-helix	trans	-68.1	-46.7	178.1	45.7	0	0	0	0	111.8	A297 R301 A302 V303 D476 S479	A297-T299 PolarHBondContact O-N 2.87Å; T299-R301 PolarHBondContact O-N 2.86Å; T299-A302 WeakPolarHBondContact O-CB 3.45Å; T299-A302 PolarHBondContact O-N 3.39Å; T299-A302 VanDerWaalsContact O-N 3.17Å; T299-V303 WeakPolarHBondContact O-CG2 3.38Å; T299-V303 PolarHBondContact O-N 3.32Å; T299-D476 VanDerWaalsContact CB-OD2 3.22Å; T299-D476 WeakPolarHBondContact CB-OD2 3.33Å; T299-D476 PolarHBondContact OG1-OD2 2.85Å; T299-S479 PolarHBondContact OG1-OG 3.35Å
300	E	93.2	Very high	85.1	Confident	6 Å²	6	62.8 Å²	62.8	3%	0.028	33%	0.325	C	S	.	.	H	α-helix	trans	-57.7	-48.1	173.2	-66	177.8	146.8	0	0	111.9	Y278 L296 A297 A302 V303 R304 H463 S479 H483	Y278-E300 WeakPolarHBondContact CD2-OE1 3.38Å; Y278-E300 HydrophobicContact CE2-CG 4.11Å; Y278-E300 WeakPolarHBondContact CE2-OE1 3.48Å; L296-E300 WeakPolarHBondContact CA-OE2 3.28Å; L296-E300 HydrophobicContact CB-CB 4.08Å; L296-E300 WeakPolarHBondContact CB-OE2 3.26Å; L296-E300 WeakPolarHBondContact CD2-OE2 3.45Å; A297-E300 HydrophobicContact CB-CB 4.36Å; A297-E300 HydrophobicContact CB-CG 4.03Å; A297-E300 PolarHBondContact N-OE2 3.25Å; A297-E300 PolarHBondContact O-N 3.4Å; E300-A302 VanDerWaalsContact C-N 3.27Å; E300-A302 PolarHBondContact O-N 3.15Å; E300-V303 PolarHBondContact O-N 3.5Å; E300-V303 VanDerWaalsContact O-N 3.13Å; E300-R304 WeakPolarHBondContact O-CB 3.35Å; E300-R304 WeakPolarHBondContact O-CG 2.8Å; E300-R304 PolarHBondContact O-N 3.24Å; E300-H463 IonicContact OE1-CD2 2.65Å; E300-H463 IonicContact OE1-CE1 3.25Å; E300-H463 PolarHBondContact OE1-CE1 3.31Å; E300-H463 IonicContact OE1-NE2 3.58Å; E300-H463 PolarHBondContact OE1-NE2 2.87Å; E300-S479 WeakPolarHBondContact CG-OG 3.5Å; E300-H483 VanDerWaalsContact CD-NE2 3.32Å; E300-H483 IonicContact OE1-CD2 3.73Å; E300-H483 IonicContact OE1-NE2 2.73Å; E300-H483 PolarHBondContact OE1-NE2 3.42Å; E300-H483 VanDerWaalsContact OE1-NE2 3.14Å; E300-H483 IonicContact OE2-CE1 3.39Å; E300-H483 IonicContact OE2-NE2 3.02Å; E300-H483 PolarHBondContact OE2-NE2 2.95Å
301	R	90	Very high	84.6	Confident	118 Å²	118	61.7 Å²	61.7	45%	0.445	30%	0.304	S	S	.	.	H	α-helix	trans	-57.9	-40.2	176.6	-72.5	-176.2	-68.1	174.4	-0.8	111.5	L296 A297 T299 R304 K305	L296-R301 HydrophobicContact CB-CG 3.62Å; L296-R301 WeakPolarHBondContact O-CD 3.3Å; L296-R301 PolarHBondContact O-NE 2.96Å; A297-R301 WeakPolarHBondContact O-CB 3.16Å; A297-R301 WeakPolarHBondContact O-CG 3.25Å; A297-R301 PolarHBondContact O-N 3.45Å; T299-R301 PolarHBondContact O-N 2.86Å; R301-R304 PolarHBondContact O-N 2.97Å; R301-K305 WeakPolarHBondContact O-CB 3.49Å; R301-K305 WeakPolarHBondContact O-CG 3.22Å; R301-K305 PolarHBondContact O-N 3.26Å
302	A	88.7	Confident	83.6	Confident	46 Å²	46	63.6 Å²	63.6	38%	0.38	31%	0.313	S	S	.	.	H	α-helix	trans	-63.5	-43.1	176.9	0	0	0	0	0	111.8	P298 T299 E300	P298-A302 WeakPolarHBondContact O-CB 3.23Å; P298-A302 PolarHBondContact O-N 3.46Å; T299-A302 WeakPolarHBondContact O-CB 3.45Å; T299-A302 PolarHBondContact O-N 3.39Å; T299-A302 VanDerWaalsContact O-N 3.17Å; E300-A302 VanDerWaalsContact C-N 3.27Å; E300-A302 PolarHBondContact O-N 3.15Å
303	V	86.4	Confident	82.6	Confident	71 Å²	71	71 Å²	71	43%	0.43	34%	0.344	S	S	.	.	H	α-helix	trans	-63.8	-43.6	174.4	178.5	0	0	0	0	110.8	T299 E300 R306 S307	T299-V303 WeakPolarHBondContact O-CG2 3.38Å; T299-V303 PolarHBondContact O-N 3.32Å; E300-V303 PolarHBondContact O-N 3.5Å; E300-V303 VanDerWaalsContact O-N 3.13Å; V303-R306 PolarHBondContact O-N 2.92Å; V303-S307 PolarHBondContact O-N 3.38Å
304	R	83.5	Confident	81.5	Confident	40 Å²	40	69.6 Å²	69.6	15%	0.151	35%	0.346	C	S	.	.	H	α-helix	trans	-67.9	-42	-179.4	-68.9	-49.8	90.9	169.6	8.7	112.9	L296 E300 R301 R306 S307 Y308	L296-R304 HydrophobicContact CD1-CG 4.02Å; E300-R304 WeakPolarHBondContact O-CB 3.35Å; E300-R304 WeakPolarHBondContact O-CG 2.8Å; E300-R304 PolarHBondContact O-N 3.24Å; R301-R304 PolarHBondContact O-N 2.97Å; R304-R306 PolarHBondContact O-N 3.28Å; R304-S307 PolarHBondContact O-N 3.23Å; R304-S307 VanDerWaalsContact O-N 3.1Å; R304-Y308 VanDerWaalsContact O-CB 3.22Å; R304-Y308 WeakPolarHBondContact O-CB 3.14Å; R304-Y308 PolarHBondContact O-N 3.43Å
305	K	78.8	Confident	80.2	Confident	156 Å²	156	70 Å²	70	68%	0.678	35%	0.351	S	S	*	.	H	α-helix	trans	-54.1	-40.7	177	-81.3	178.2	-179.7	179.4	0	111.8	R301 A309	R301-K305 WeakPolarHBondContact O-CB 3.49Å; R301-K305 WeakPolarHBondContact O-CG 3.22Å; R301-K305 PolarHBondContact O-N 3.26Å; K305-A309 WeakPolarHBondContact O-CB 3.43Å; K305-A309 PolarHBondContact O-N 3.37Å; K305-A309 VanDerWaalsContact O-N 3.12Å
306	R	76	Confident	78.9	Confident	199 Å²	199	77.7 Å²	77.7	75%	0.751	39%	0.387	S	S	*	.	H	α-helix	trans	-66.5	-48	175.7	-64.5	178.7	-172.3	164	3.6	112.2	V303 R304 M310	V303-R306 PolarHBondContact O-N 2.92Å; R304-R306 PolarHBondContact O-N 3.28Å; R306-M310 PolarHBondContact O-N 3.24Å
307	S	76.2	Confident	77.4	Confident	34 Å²	34	77.7 Å²	77.7	24%	0.238	39%	0.388	C	S	.	.	H	α-helix	trans	-63.3	-41.8	178.5	-173.7	0	0	0	0	112.2	V303 R304 M310 K311	V303-S307 PolarHBondContact O-N 3.38Å; R304-S307 PolarHBondContact O-N 3.23Å; R304-S307 VanDerWaalsContact O-N 3.1Å; S307-M310 PolarHBondContact O-N 3.42Å; S307-K311 WeakPolarHBondContact O-CB 3.45Å; S307-K311 VanDerWaalsContact O-CG 3.26Å; S307-K311 WeakPolarHBondContact O-CG 3.3Å; S307-K311 PolarHBondContact O-N 3.23Å; S307-K311 VanDerWaalsContact OG-CE 3.27Å; S307-K311 WeakPolarHBondContact OG-CE 3.14Å; S307-K311 PolarHBondContact OG-NZ 3.06Å
308	Y	73.1	Confident	75.5	Confident	39 Å²	39	83.8 Å²	83.8	15%	0.153	43%	0.425	C	S	.	.	H	α-helix	trans	-67.6	-44.4	-178	179.5	-101.5	0	0	0	112.9	S281 C282 N283 R304 M310 K311 Q312	S281-Y308 VanDerWaalsContact CB-CD2 3.44Å; C282-Y308 WeakPolarHBondContact O-CE2 3.29Å; C282-Y308 PolarHBondContact O-OH 3.23Å; N283-Y308 WeakPolarHBondContact CA-OH 3.25Å; N283-Y308 HydrophobicContact CB-CE2 4.18Å; R304-Y308 VanDerWaalsContact O-CB 3.22Å; R304-Y308 WeakPolarHBondContact O-CB 3.14Å; R304-Y308 PolarHBondContact O-N 3.43Å; Y308-M310 PolarHBondContact O-N 3.1Å; Y308-K311 PolarHBondContact O-N 3.5Å; Y308-K311 VanDerWaalsContact O-N 3.09Å; Y308-Q312 HydrophobicContact CD1-CG 4.23Å; Y308-Q312 HydrophobicContact CE1-CG 3.75Å; Y308-Q312 HydrophobicContact CE2-CG 4.13Å; Y308-Q312 PolarHBondContact O-N 2.83Å; Y308-Q312 PolarHBondContact OH-NE2 3.45Å
309	A	69.6	Low	73.6	Confident	53 Å²	53	83 Å²	83	44%	0.438	41%	0.412	S	S	.	.	H	α-helix	trans	-55.8	-43.5	174.6	0	0	0	0	0	111	K305 H313	K305-A309 WeakPolarHBondContact O-CB 3.43Å; K305-A309 PolarHBondContact O-N 3.37Å; K305-A309 VanDerWaalsContact O-N 3.12Å; A309-H313 PolarHBondContact O-CD2 3.39Å; A309-H313 VanDerWaalsContact O-CD2 3.3Å
310	M	70.1	Confident	71.6	Confident	141 Å²	141	90.7 Å²	90.7	70%	0.695	44%	0.435	S	S	*	.	H	α-helix	trans	-64.4	-42.2	174.8	-177.4	179.7	-86.5	0	0	112.5	R306 S307 Y308	R306-M310 PolarHBondContact O-N 3.24Å; S307-M310 PolarHBondContact O-N 3.42Å; Y308-M310 PolarHBondContact O-N 3.1Å
311	K	73.1	Confident	69.4	Low	33 Å²	33	97.8 Å²	97.8	14%	0.143	47%	0.472	C	S	.	.	H	α-helix	trans	-69.8	-36.3	-178.6	-76.4	169.6	176.7	177	0	114	Y219 S307 Y308 H313 L314	Y219-K311 HydrophobicContact CD1-CB 3.68Å; Y219-K311 HydrophobicContact CD1-CG 4.29Å; Y219-K311 HydrophobicContact CD2-CB 4.24Å; Y219-K311 HydrophobicContact CD2-CD 3.68Å; Y219-K311 HydrophobicContact CD2-CG 4.01Å; Y219-K311 HydrophobicContact CE1-CB 3.99Å; Y219-K311 HydrophobicContact CE2-CD 3.83Å; Y219-K311 HydrophobicContact CE2-CG 4.5Å; Y219-K311 HydrophobicContact CG-CB 3.8Å; Y219-K311 HydrophobicContact CG-CD 4.09Å; Y219-K311 HydrophobicContact CG-CG 3.88Å; S307-K311 WeakPolarHBondContact O-CB 3.45Å; S307-K311 VanDerWaalsContact O-CG 3.26Å; S307-K311 WeakPolarHBondContact O-CG 3.3Å; S307-K311 PolarHBondContact O-N 3.23Å; S307-K311 VanDerWaalsContact OG-CE 3.27Å; S307-K311 WeakPolarHBondContact OG-CE 3.14Å; S307-K311 PolarHBondContact OG-NZ 3.06Å; Y308-K311 PolarHBondContact O-N 3.5Å; Y308-K311 VanDerWaalsContact O-N 3.09Å; K311-H313 VanDerWaalsContact C-N 3.32Å; K311-H313 PolarHBondContact O-N 3.39Å; K311-L314 PolarHBondContact O-N 2.9Å
312	Q	66.6	Low	67.2	Low	54 Å²	54	96.5 Å²	96.5	25%	0.252	48%	0.481	S	S	.	.	H	α-helix	trans	-62.3	-38.7	177.8	-84.6	-157.4	-9.9	0	0	112.3	Y308 L314 S315	Y308-Q312 HydrophobicContact CD1-CG 4.23Å; Y308-Q312 HydrophobicContact CE1-CG 3.75Å; Y308-Q312 HydrophobicContact CE2-CG 4.13Å; Y308-Q312 PolarHBondContact O-N 2.83Å; Y308-Q312 PolarHBondContact OH-NE2 3.45Å; Q312-L314 PolarHBondContact O-N 3.35Å; Q312-S315 PolarHBondContact O-N 2.98Å; Q312-S315 PolarHBondContact O-OG 3.16Å; Q312-S315 VanDerWaalsContact O-OG 3.05Å
313	H	63.3	Low	65.1	Low	175 Å²	175	100.1 Å²	100.1	81%	0.81	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-21	177.5	-83.5	-72.8	0	0	0	113.6	A309 K311	A309-H313 PolarHBondContact O-CD2 3.39Å; A309-H313 VanDerWaalsContact O-CD2 3.3Å; K311-H313 VanDerWaalsContact C-N 3.32Å; K311-H313 PolarHBondContact O-N 3.39Å
314	L	67.1	Low	63.1	Low	112 Å²	112	98.7 Å²	98.7	59%	0.586	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-9.5	-179.8	-64.6	169.4	0	0	0	113.6	K311 Q312	K311-L314 PolarHBondContact O-N 2.9Å; Q312-L314 PolarHBondContact O-N 3.35Å
315	S	64.3	Low	61.4	Low	26 Å²	26	103 Å²	103	18%	0.182	50%	0.503	C	S	.	.			trans	-93.5	129.4	-173	70.5	0	0	0	0	113	Q221 Q312	Q221-S315 PolarHBondContact NE2-OG 2.94Å; Q312-S315 PolarHBondContact O-N 2.98Å; Q312-S315 PolarHBondContact O-OG 3.16Å; Q312-S315 VanDerWaalsContact O-OG 3.05Å
316	E	62.5	Low	59.8	Low	177 Å²	177	100.3 Å²	100.3	83%	0.827	49%	0.492	S	S	*	.			trans	-85.4	-7.8	179.1	-63.1	-178.8	167	0	0	114.5	V318	E316-V318 PolarHBondContact O-N 3.46Å
317	T	61.6	Low	58.2	Low	20 Å²	20	91.7 Å²	91.7	12%	0.123	46%	0.462	C	S	.	.			trans	-72.2	106	-176.2	-58.1	0	0	0	0	110.5	P173 I285	P173-T317 HydrophobicContact CB-CG2 4.34Å; I285-T317 HydrophobicContact CD1-CG2 4.45Å
318	V	55.2	Low	56.6	Low	127 Å²	127	91.8 Å²	91.8	77%	0.77	46%	0.461	S	S	*	.			trans	-89.3	124.1	173.7	179.1	0	0	0	0	109.8	E316	E316-V318 PolarHBondContact O-N 3.46Å
319	Y	54.4	Low	55.3	Low	62 Å²	62	91.7 Å²	91.7	24%	0.243	47%	0.466	C	S	.	.			trans	-85.1	139.8	179.6	-173.8	-117.6	0	0	0	111.9	P173 S288 L321 V324	P173-Y319 HydrophobicContact CB-CD2 4.36Å; P173-Y319 HydrophobicContact CG-CD2 3.49Å; P173-Y319 VanDerWaalsContact CG-CD2 3.49Å; P173-Y319 HydrophobicContact CG-CE2 3.78Å; S288-Y319 WeakPolarHBondContact CB-OH 3.5Å; Y319-L321 HydrophobicContact CD1-CD2 4.46Å; Y319-L321 HydrophobicContact CD1-CG 3.95Å; Y319-L321 HydrophobicContact CE1-CB 4.25Å; Y319-L321 HydrophobicContact CE1-CD2 3.63Å; Y319-L321 HydrophobicContact CE1-CG 3.51Å; Y319-V324 WeakPolarHBondContact OH-CG2 3.36Å
320	R	49.1	Very low	54.1	Low	216 Å²	216	93.3 Å²	93.3	82%	0.815	47%	0.465	S	S	*	.			trans	-118.9	124.5	166.2	-71.8	-176	-178.2	155.1	1.8	108.2	S322	R320-S322 PolarHBondContact O-N 3.38Å; R320-S322 VanDerWaalsContact O-N 3.14Å
321	L	47.3	Very low	52.9	Low	154 Å²	154	92.9 Å²	92.9	81%	0.806	46%	0.461	S	S	*	.			trans	-72.4	5.7	-169	-93.9	152	0	0	0	116	Y319	Y319-L321 HydrophobicContact CD1-CD2 4.46Å; Y319-L321 HydrophobicContact CD1-CG 3.95Å; Y319-L321 HydrophobicContact CE1-CB 4.25Å; Y319-L321 HydrophobicContact CE1-CD2 3.63Å; Y319-L321 HydrophobicContact CE1-CG 3.51Å
322	S	43.9	Very low	51.8	Low	91 Å²	91	99.6 Å²	99.6	64%	0.636	49%	0.49	S	S	*	.	S	Bend	trans	-94.9	112.5	-175.6	58	0	0	0	0	111.1	R320	R320-S322 PolarHBondContact O-N 3.38Å; R320-S322 VanDerWaalsContact O-N 3.14Å
323	E	44.6	Very low	51.2	Low	122 Å²	122	102.3 Å²	102.3	57%	0.57	52%	0.515	S	S	*	.			trans	82.5	79	164.7	-50.9	174.3	-166.9	0	0	116.4	R394	E323-R394 IonicContact OE1-CZ 3.29Å; E323-R394 IonicContact OE1-NH1 2.85Å; E323-R394 IonicContact OE1-NH2 3.85Å; E323-R394 PolarHBondContact OE1-NH2 3.22Å; E323-R394 IonicContact OE2-NH1 2.87Å
324	V	44.9	Very low	51.1	Low	41 Å²	41	97.4 Å²	97.4	25%	0.248	49%	0.494	C	S	.	.			trans	-113.5	127.6	163.8	-179	0	0	0	0	109.5	S288 L289 Y319	S288-V324 WeakPolarHBondContact O-CG1 3.36Å; L289-V324 HydrophobicContact CD2-CG1 4.26Å; Y319-V324 WeakPolarHBondContact OH-CG2 3.36Å
325	E	46.6	Very low	51.7	Low	130 Å²	130	94.2 Å²	94.2	61%	0.607	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-81	124.2	166.4	-76.8	-176.7	168.4	0	0	108.6
326	K	45.7	Very low	52.6	Low	101 Å²	101	93.3 Å²	93.3	44%	0.439	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-70.4	141.7	-175.6	-69.4	-176.6	176.1	-169	0	111.5	V328 H408 W412	K326-V328 PolarHBondContact O-N 3.15Å; K326-H408 PolarHBondContact NZ-CE1 2.58Å; K326-H408 VanDerWaalsContact NZ-CE1 3.33Å; K326-H408 PolarHBondContact NZ-NE2 2.79Å; K326-W412 HydrophobicContact CB-CH2 4.38Å; K326-W412 HydrophobicContact CB-CZ2 4.3Å; K326-W412 HydrophobicContact CD-CH2 3.94Å; K326-W412 HydrophobicContact CD-CZ2 3.29Å; K326-W412 HydrophobicContact CG-CZ2 4.43Å
327	C	42.8	Very low	53.8	Low	18 Å²	18	85.6 Å²	85.6	12%	0.122	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-64.6	123.7	173.5	-167.9	0	0	0	0	110	R233 L289	R233-C327 WeakPolarHBondContact CD-SG 3.17Å; L289-C327 WeakPolarHBondContact O-CB 3.04Å
328	V	43.5	Very low	54.9	Low	35 Å²	35	88.8 Å²	88.8	21%	0.212	45%	0.453	C	S	.	.			trans	-110.3	104.1	175.1	-175.2	0	0	0	0	109	R233 K326 Q330 K415	R233-V328 VanDerWaalsContact NH1-C 3.26Å; R233-V328 VanDerWaalsContact NH1-N 3.16Å; R233-V328 PolarHBondContact NH1-O 2.97Å; K326-V328 PolarHBondContact O-N 3.15Å; V328-Q330 HydrophobicContact CG1-CG 3.97Å; V328-Q330 WeakPolarHBondContact O-CG 3.27Å; V328-K415 HydrophobicContact CG1-CD 3.97Å
329	S	44.8	Very low	56.1	Low	38 Å²	38	83.8 Å²	83.8	27%	0.266	42%	0.421	S	S	.	.			trans	-53.8	135.6	168.2	37.9	0	0	0	0	110.9	S419	S329-S419 WeakPolarHBondContact CB-OG 3.26Å; S329-S419 PolarHBondContact OG-OG 3.28Å
330	Q	45.3	Very low	57.5	Low	87 Å²	87	80.9 Å²	80.9	41%	0.407	41%	0.409	S	S	.	.			trans	-150	151.6	-166.3	-84.9	-170.6	8.3	0	0	116.5	V328	V328-Q330 HydrophobicContact CG1-CG 3.97Å; V328-Q330 WeakPolarHBondContact O-CG 3.27Å
331	H	45	Very low	59.2	Low	131 Å²	131	71.5 Å²	71.5	61%	0.606	37%	0.374	S	S	*	.			trans	53.5	94.4	158.7	-72.3	-69.7	0	0	0	118.9	S333	H331-S333 PolarHBondContact O-N 3.22Å
332	K	49.4	Very low	60.7	Low	175 Å²	175	66.1 Å²	66.1	76%	0.761	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-18.4	178	-68.7	-173.7	175.3	-172.9	0	116.7
333	S	53.4	Low	62	Low	110 Å²	110	66.6 Å²	66.6	77%	0.769	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-12.7	-170.6	89.2	0	0	0	0	115.7	H331	H331-S333 PolarHBondContact O-N 3.22Å
334	L	61.9	Low	63.5	Low	72 Å²	72	60.8 Å²	60.8	38%	0.377	31%	0.313	S	S	.	.	S	Bend	trans	-108.7	140.6	-177.2	-67.6	172.9	0	0	0	109.8	E338	L334-E338 HydrophobicContact CB-CB 4.24Å; L334-E338 HydrophobicContact CD2-CB 4.08Å
335	S	80	Confident	64.5	Low	46 Å²	46	63.3 Å²	63.3	32%	0.322	32%	0.322	S	S	.	.			trans	-62	152.3	164.3	66.9	0	0	0	0	110	M337 E338 F339	S335-M337 PolarHBondContact O-N 3.34Å; S335-M337 VanDerWaalsContact O-N 3.11Å; S335-E338 VanDerWaalsContact CB-OE2 3.29Å; S335-E338 WeakPolarHBondContact CB-OE2 3.35Å; S335-E338 PolarHBondContact N-OE2 3.24Å; S335-E338 PolarHBondContact O-N 3.23Å; S335-E338 WeakPolarHBondContact OG-CB 3.18Å; S335-E338 WeakPolarHBondContact OG-CG 3.49Å; S335-E338 PolarHBondContact OG-N 2.71Å; S335-E338 PolarHBondContact OG-OE2 3.09Å; S335-F339 PolarHBondContact O-N 3.31Å
336	A	83.2	Confident	64.9	Low	7 Å²	7	60.9 Å²	60.9	6%	0.058	32%	0.319	C	S	.	.	H	α-helix	trans	-55.7	-33.4	-178.9	0	0	0	0	0	112.9	W163 Q237 L238 V340	W163-A336 HydrophobicContact CH2-CB 4.22Å; W163-A336 HydrophobicContact CZ2-CB 3.88Å; Q237-A336 HydrophobicContact CB-CB 4.11Å; L238-A336 HydrophobicContact CD2-CB 3.97Å; L238-A336 HydrophobicContact CG-CB 4.36Å; A336-V340 PolarHBondContact O-N 3.3Å; A336-V340 VanDerWaalsContact O-N 3.13Å
337	M	87.2	Confident	65.1	Low	14 Å²	14	59 Å²	59	7%	0.069	32%	0.318	C	S	.	.	H	α-helix	trans	-73.4	-40.9	175.7	-75.8	-54.1	-53.5	0	0	113	D159 W163 L238 S335 F339 V340 R341	D159-M337 HydrophobicContact CB-CE 3.59Å; D159-M337 HydrophobicContact CB-SD 4.11Å; D159-M337 WeakPolarHBondContact OD1-CE 3.41Å; W163-M337 PolarHBondContact NE1-SD 3.4Å; L238-M337 HydrophobicContact CD2-CG 4.22Å; L238-M337 HydrophobicContact CD2-SD 4.2Å; S335-M337 PolarHBondContact O-N 3.34Å; S335-M337 VanDerWaalsContact O-N 3.11Å; M337-F339 VanDerWaalsContact C-N 3.27Å; M337-F339 PolarHBondContact O-N 3.37Å; M337-V340 HydrophobicContact CE-CG1 3.93Å; M337-V340 WeakPolarHBondContact O-CG1 3.37Å; M337-V340 PolarHBondContact O-N 2.83Å; M337-V340 HydrophobicContact SD-CG1 4.1Å; M337-R341 WeakPolarHBondContact O-CB 3.37Å; M337-R341 WeakPolarHBondContact O-CG 2.99Å; M337-R341 PolarHBondContact O-N 3Å
338	E	84.1	Confident	65	Low	87 Å²	87	60.6 Å²	60.6	41%	0.407	33%	0.325	S	S	.	.	H	α-helix	trans	-61.7	-39.3	173.5	-71.5	163	140.8	0	0	111.4	L334 S335 R341 A342	L334-E338 HydrophobicContact CB-CB 4.24Å; L334-E338 HydrophobicContact CD2-CB 4.08Å; S335-E338 VanDerWaalsContact CB-OE2 3.29Å; S335-E338 WeakPolarHBondContact CB-OE2 3.35Å; S335-E338 PolarHBondContact N-OE2 3.24Å; S335-E338 PolarHBondContact O-N 3.23Å; S335-E338 WeakPolarHBondContact OG-CB 3.18Å; S335-E338 WeakPolarHBondContact OG-CG 3.49Å; S335-E338 PolarHBondContact OG-N 2.71Å; S335-E338 PolarHBondContact OG-OE2 3.09Å; E338-R341 PolarHBondContact O-N 3.34Å; E338-A342 VanDerWaalsContact O-CB 3.3Å; E338-A342 WeakPolarHBondContact O-CB 3.31Å; E338-A342 PolarHBondContact O-N 2.88Å
339	F	81.7	Confident	64.6	Low	23 Å²	23	66.2 Å²	66.2	10%	0.101	35%	0.353	C	S	.	.	H	α-helix	trans	-58.5	-54.8	174.8	166.5	-99.4	0	0	0	112	S335 M337 R341 A342 R343	S335-F339 PolarHBondContact O-N 3.31Å; M337-F339 VanDerWaalsContact C-N 3.27Å; M337-F339 PolarHBondContact O-N 3.37Å; F339-R341 VanDerWaalsContact C-N 3.27Å; F339-R341 PolarHBondContact O-N 3.19Å; F339-A342 PolarHBondContact O-N 2.95Å; F339-R343 HydrophobicContact CD2-CG 4.23Å; F339-R343 HydrophobicContact CE1-CG 4.27Å; F339-R343 HydrophobicContact CE2-CG 3.77Å; F339-R343 HydrophobicContact CZ-CG 3.78Å; F339-R343 WeakPolarHBondContact O-CG 3.32Å; F339-R343 PolarHBondContact O-N 3.14Å
340	V	83	Confident	64.3	Low	0 Å²	0	69.5 Å²	69.5	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-66.7	-31.7	-175.9	78.4	0	0	0	0	111.9	L162 W163 E166 A336 M337 S344	L162-V340 HydrophobicContact CB-CG1 4.1Å; L162-V340 HydrophobicContact CB-CG2 4.14Å; L162-V340 HydrophobicContact CD1-CG1 4.22Å; W163-V340 HydrophobicContact CZ2-CB 4.38Å; W163-V340 HydrophobicContact CZ2-CG1 4.43Å; E166-V340 HydrophobicContact CB-CG2 3.82Å; E166-V340 HydrophobicContact CG-CG2 4.28Å; A336-V340 PolarHBondContact O-N 3.3Å; A336-V340 VanDerWaalsContact O-N 3.13Å; M337-V340 HydrophobicContact CE-CG1 3.93Å; M337-V340 WeakPolarHBondContact O-CG1 3.37Å; M337-V340 PolarHBondContact O-N 2.83Å; M337-V340 HydrophobicContact SD-CG1 4.1Å; V340-S344 WeakPolarHBondContact O-CB 3.3Å; V340-S344 PolarHBondContact O-N 3.3Å; V340-S344 VanDerWaalsContact O-N 3.14Å; V340-S344 PolarHBondContact O-OG 2.97Å
341	R	84.8	Confident	63.7	Low	20 Å²	20	68.3 Å²	68.3	8%	0.075	38%	0.376	C	S	.	.	H	α-helix	trans	-66.5	-50.4	172.7	-70.9	174.1	-165.7	138.1	-0.4	111.8	S88 E91 D159 L162 M337 E338 F339 R343 S344 Q345	S88-R341 VanDerWaalsContact O-CD 3.23Å; S88-R341 WeakPolarHBondContact O-CD 3.34Å; S88-R341 WeakPolarHBondContact O-CG 3.25Å; S88-R341 PolarHBondContact O-NE 3.01Å; E91-R341 IonicContact OE1-CZ 3.7Å; E91-R341 IonicContact OE1-NE 2.64Å; E91-R341 IonicContact OE1-NH1 3.8Å; E91-R341 PolarHBondContact OE1-NH1 2.84Å; E91-R341 IonicContact OE1-NH2 3.69Å; E91-R341 PolarHBondContact OE1-NH2 2.99Å; E91-R341 IonicContact OE2-CZ 3.85Å; E91-R341 IonicContact OE2-NE 3.03Å; E91-R341 IonicContact OE2-NH1 3.25Å; E91-R341 PolarHBondContact OE2-NH1 2.76Å; D159-R341 IonicContact OD2-NH2 2.89Å; L162-R341 HydrophobicContact CD1-CG 3.87Å; M337-R341 WeakPolarHBondContact O-CB 3.37Å; M337-R341 WeakPolarHBondContact O-CG 2.99Å; M337-R341 PolarHBondContact O-N 3Å; E338-R341 PolarHBondContact O-N 3.34Å; F339-R341 VanDerWaalsContact C-N 3.27Å; F339-R341 PolarHBondContact O-N 3.19Å; R341-R343 VanDerWaalsContact C-N 3.29Å; R341-R343 PolarHBondContact O-N 3.4Å; R341-S344 WeakPolarHBondContact O-CB 3.49Å; R341-S344 PolarHBondContact O-N 3.39Å; R341-Q345 WeakPolarHBondContact O-CG 3.36Å; R341-Q345 PolarHBondContact O-N 3Å
342	A	78.2	Confident	62.9	Low	41 Å²	41	68.8 Å²	68.8	34%	0.339	38%	0.383	S	S	.	.	H	α-helix	trans	-58.4	-42	179.3	0	0	0	0	0	111.7	E338 F339 S344 Q345 S346	E338-A342 VanDerWaalsContact O-CB 3.3Å; E338-A342 WeakPolarHBondContact O-CB 3.31Å; E338-A342 PolarHBondContact O-N 2.88Å; F339-A342 PolarHBondContact O-N 2.95Å; A342-S344 VanDerWaalsContact C-N 3.32Å; A342-S344 PolarHBondContact O-N 2.93Å; A342-Q345 PolarHBondContact O-N 2.74Å; A342-S346 PolarHBondContact O-N 3.01Å; A342-S346 PolarHBondContact O-OG 2.95Å; A342-S346 VanDerWaalsContact O-OG 3.12Å
343	R	73.1	Confident	61.9	Low	101 Å²	101	69.3 Å²	69.3	38%	0.381	39%	0.389	S	S	.	.	H	α-helix	trans	-60.5	-39.6	174.3	-73.8	-67.3	-60.6	139.6	-2.4	112.9	F339 R341 S347	F339-R343 HydrophobicContact CD2-CG 4.23Å; F339-R343 HydrophobicContact CE1-CG 4.27Å; F339-R343 HydrophobicContact CE2-CG 3.77Å; F339-R343 HydrophobicContact CZ-CG 3.78Å; F339-R343 WeakPolarHBondContact O-CG 3.32Å; F339-R343 PolarHBondContact O-N 3.14Å; R341-R343 VanDerWaalsContact C-N 3.29Å; R341-R343 PolarHBondContact O-N 3.4Å; R343-S347 PolarHBondContact O-N 3.33Å
344	S	74.5	Confident	60.7	Low	0 Å²	0	71.6 Å²	71.6	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-70.8	-38.7	177.3	-57.9	0	0	0	0	111.5	R169 V340 R341 A342 S347	R169-S344 PolarHBondContact NH2-OG 2.98Å; V340-S344 WeakPolarHBondContact O-CB 3.3Å; V340-S344 PolarHBondContact O-N 3.3Å; V340-S344 VanDerWaalsContact O-N 3.14Å; V340-S344 PolarHBondContact O-OG 2.97Å; R341-S344 WeakPolarHBondContact O-CB 3.49Å; R341-S344 PolarHBondContact O-N 3.39Å; A342-S344 VanDerWaalsContact C-N 3.32Å; A342-S344 PolarHBondContact O-N 2.93Å; S344-S347 PolarHBondContact O-N 2.66Å; S344-S347 PolarHBondContact O-OG 2.83Å
345	Q	66.4	Low	59	Low	93 Å²	93	73.6 Å²	73.6	44%	0.435	40%	0.404	S	S	.	.	H	α-helix	trans	-67.2	-39.4	175.1	-67.2	178.2	13.5	0	0	113	V89 R341 A342 S347 M348 L349	V89-Q345 HydrophobicContact CG1-CG 3.38Å; V89-Q345 PolarHBondContact O-NE2 3.47Å; R341-Q345 WeakPolarHBondContact O-CG 3.36Å; R341-Q345 PolarHBondContact O-N 3Å; A342-Q345 PolarHBondContact O-N 2.74Å; Q345-S347 PolarHBondContact O-N 3.04Å; Q345-M348 WeakPolarHBondContact O-CA 3.42Å; Q345-M348 WeakPolarHBondContact O-CB 3.44Å; Q345-M348 PolarHBondContact O-N 3.19Å; Q345-L349 PolarHBondContact O-N 2.88Å
346	S	54.8	Low	56.7	Low	80 Å²	80	80.6 Å²	80.6	56%	0.559	43%	0.429	S	S	*	.	H	α-helix	trans	-61.4	-25.8	175.2	-61.9	0	0	0	0	112.7	A342 M348	A342-S346 PolarHBondContact O-N 3.01Å; A342-S346 PolarHBondContact O-OG 2.95Å; A342-S346 VanDerWaalsContact O-OG 3.12Å; S346-M348 VanDerWaalsContact C-N 3.29Å
347	S	50.5	Low	53.9	Low	60 Å²	60	83 Å²	83	42%	0.42	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-13.8	172	74	0	0	0	0	113.9	R343 S344 Q345	R343-S347 PolarHBondContact O-N 3.33Å; S344-S347 PolarHBondContact O-N 2.66Å; S344-S347 PolarHBondContact O-OG 2.83Å; Q345-S347 PolarHBondContact O-N 3.04Å
348	M	39.6	Very low	51	Low	52 Å²	52	88.6 Å²	88.6	26%	0.256	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-26.3	-179	-68	-165.1	161.4	0	0	114.8	Q345 S346 S350 C351 N369	Q345-M348 WeakPolarHBondContact O-CA 3.42Å; Q345-M348 WeakPolarHBondContact O-CB 3.44Å; Q345-M348 PolarHBondContact O-N 3.19Å; S346-M348 VanDerWaalsContact C-N 3.29Å; M348-S350 PolarHBondContact O-N 3.35Å; M348-C351 WeakPolarHBondContact O-CB 3.34Å; M348-C351 PolarHBondContact O-N 3.38Å; M348-N369 HydrophobicContact CE-CB 3.96Å; M348-N369 WeakPolarHBondContact CE-OD1 3.47Å
349	L	35.7	Very low	48.2	Very low	154 Å²	154	91.2 Å²	91.2	81%	0.806	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	1.5	-179	-71.7	171	0	0	0	114	Q345 C351	Q345-L349 PolarHBondContact O-N 2.88Å; L349-C351 VanDerWaalsContact C-N 3.3Å
350	S	39.4	Very low	45.6	Very low	106 Å²	106	93 Å²	93	74%	0.741	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	1.3	164.7	63.4	0	0	0	0	114	M348	M348-S350 PolarHBondContact O-N 3.35Å
351	C	31.4	Very low	42.9	Very low	62 Å²	62	100.6 Å²	100.6	42%	0.419	58%	0.582	S	S	.	*	S	Bend	trans	-121.6	116.4	-176.7	-54	0	0	0	0	108.9	M348 L349	M348-C351 WeakPolarHBondContact O-CB 3.34Å; M348-C351 PolarHBondContact O-N 3.38Å; L349-C351 VanDerWaalsContact C-N 3.3Å
352	D	29.8	Very low	40.4	Very low	141 Å²	141	105.1 Å²	105.1	75%	0.754	61%	0.608	S	S	*	*			trans	-49.9	138.7	-177.9	-73.2	-49.1	0	0	0	113.1	H354	D352-H354 VanDerWaalsContact C-N 3.3Å; D352-H354 PolarHBondContact O-N 3.34Å
353	E	27	Very low	38.3	Very low	187 Å²	187	107.9 Å²	107.9	87%	0.874	62%	0.617	S	S	*	*			trans	-67.1	85.3	169.8	-70.3	-129.9	134.6	0	0	110.3
354	H	27.9	Very low	36.5	Very low	158 Å²	158	104.8 Å²	104.8	73%	0.731	62%	0.617	S	S	*	*			trans	-85.7	127	163.7	-77.6	-57.2	0	0	0	110.3	D352 F356	D352-H354 VanDerWaalsContact C-N 3.3Å; D352-H354 PolarHBondContact O-N 3.34Å; H354-F356 PolarHBondContact O-N 3.34Å
355	P	27.3	Very low	35.2	Very low	114 Å²	114	105.6 Å²	105.6	74%	0.74	62%	0.621	S	S	*	*			trans	-59	135.4	175.8	-22.1	32.1	0	0	0	111.2	G357	P355-G357 PolarHBondContact O-N 2.99Å
356	F	31.3	Very low	34.1	Very low	193 Å²	193	104.4 Å²	104.4	85%	0.846	62%	0.62	S	S	*	*	S	Bend	trans	-40.6	98.1	172.4	-76.4	-94.2	0	0	0	111.9	H354	H354-F356 PolarHBondContact O-N 3.34Å
357	G	23.8	Very low	33.3	Very low	58 Å²	58	103.4 Å²	103.4	60%	0.598	61%	0.605	S	S	*	*			trans	-169.8	89.7	-174.2	0	0	0	0	0	112.4	P355 V359	P355-G357 PolarHBondContact O-N 2.99Å; G357-V359 PolarHBondContact O-N 2.97Å
358	S	27.8	Very low	32.5	Very low	131 Å²	131	103.8 Å²	103.8	92%	0.916	60%	0.602	S	S	*	*			trans	33.5	76	151.5	-147.9	0	0	0	0	117.2
359	V	24.5	Very low	32.2	Very low	141 Å²	141	104.3 Å²	104.3	86%	0.855	61%	0.606	S	S	*	*			trans	-135.6	113	157.7	-176.1	0	0	0	0	109.4	G357	G357-V359 PolarHBondContact O-N 2.97Å
360	G	26.2	Very low	31.8	Very low	61 Å²	61	99.2 Å²	99.2	63%	0.629	59%	0.591	S	S	*	*	S	Bend	trans	75	99.2	151.4	0	0	0	0	0	116.8	D362	G360-D362 PolarHBondContact O-N 2.94Å
361	N	26.6	Very low	31.1	Very low	160 Å²	160	97.8 Å²	97.8	86%	0.856	58%	0.581	S	S	*	*			trans	19.2	44.4	143.6	-149.3	57.3	0	0	0	119.7
362	D	32.3	Very low	30.7	Very low	115 Å²	115	103 Å²	103	62%	0.615	60%	0.604	S	S	*	*			trans	-102.6	118.8	166.6	-117.5	-23.3	0	0	0	106.4	G360 G364 I368	G360-D362 PolarHBondContact O-N 2.94Å; D362-G364 PolarHBondContact O-N 3.12Å; D362-I368 HydrophobicContact CB-CD1 4.17Å; D362-I368 VanDerWaalsContact CG-CD1 3.42Å; D362-I368 WeakPolarHBondContact OD2-CD1 3.42Å
363	N	34.6	Very low	30.5	Very low	99 Å²	99	101 Å²	101	53%	0.529	60%	0.601	S	S	.	*			trans	-46.6	110.7	-178.3	-71.1	-27.1	0	0	0	109.4	D365 V366	N363-D365 PolarHBondContact O-N 3.01Å; N363-V366 PolarHBondContact O-N 2.92Å
364	G	36	Very low	30.4	Very low	36 Å²	36	101.4 Å²	101.4	37%	0.371	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.9	9.5	-171.8	0	0	0	0	0	115.3	R85 D362	R85-G364 PolarHBondContact NH1-O 3.48Å; D362-G364 PolarHBondContact O-N 3.12Å
365	D	45.6	Very low	30.2	Very low	16 Å²	16	97 Å²	97	9%	0.086	60%	0.599	C	S	.	*	T	Hydrogen-bonded Turn	trans	-78.2	-31.4	175.6	-65.2	-29.5	0	0	0	112.5	R83 K120 Y136 Q180 R199 N363	R83-D365 IonicContact CZ-OD1 3.32Å; R83-D365 IonicContact NH1-OD1 3.08Å; R83-D365 PolarHBondContact NH1-OD1 3.07Å; K120-D365 IonicContact NZ-OD1 3.66Å; K120-D365 PolarHBondContact NZ-OD1 3.29Å; Y136-D365 PolarHBondContact OH-OD2 3.43Å; Q180-D365 PolarHBondContact OE1-O 2.85Å; R199-D365 IonicContact NH2-OD2 3.38Å; R199-D365 PolarHBondContact NH2-OD2 3.06Å; N363-D365 PolarHBondContact O-N 3.01Å
366	V	43.7	Very low	30.2	Very low	69 Å²	69	97.6 Å²	97.6	42%	0.418	61%	0.606	S	S	.	*			trans	-97	119.3	-172.6	-172.5	0	0	0	0	109.7	N363 I368	N363-V366 PolarHBondContact O-N 2.92Å; V366-I368 HydrophobicContact CB-CG1 4.11Å; V366-I368 HydrophobicContact CG1-CG1 3.95Å; V366-I368 PolarHBondContact O-N 3.14Å
367	F	39	Very low	30	Very low	58 Å²	58	93.2 Å²	93.2	25%	0.254	60%	0.6	S	S	.	*			trans	-60.3	96.8	152.1	-75.7	-80.2	0	0	0	106.3	V94 N369	V94-F367 HydrophobicContact CG2-CZ 4.38Å; F367-N369 VanDerWaalsContact C-N 3.32Å; F367-N369 PolarHBondContact O-N 2.9Å
368	I	33	Very low	30	Very low	69 Å²	69	95.8 Å²	95.8	35%	0.354	61%	0.608	S	S	.	*			trans	-69.2	96.4	178.2	-65.3	-171.9	0	0	0	107.8	D362 V366 G370	D362-I368 HydrophobicContact CB-CD1 4.17Å; D362-I368 VanDerWaalsContact CG-CD1 3.42Å; D362-I368 WeakPolarHBondContact OD2-CD1 3.42Å; V366-I368 HydrophobicContact CB-CG1 4.11Å; V366-I368 HydrophobicContact CG1-CG1 3.95Å; V366-I368 PolarHBondContact O-N 3.14Å; I368-G370 VanDerWaalsContact C-N 3.26Å; I368-G370 WeakPolarHBondContact CG2-O 3.44Å; I368-G370 PolarHBondContact O-N 3.16Å; I368-G370 VanDerWaalsContact O-N 3.08Å
369	N	33.9	Very low	29.9	Very low	62 Å²	62	93.1 Å²	93.1	33%	0.332	60%	0.601	S	S	.	*	S	Bend	trans	-75.4	83	163.3	-66.9	3.4	0	0	0	107.2	E165 M348 F367	E165-N369 PolarHBondContact OE1-ND2 2.94Å; E165-N369 PolarHBondContact OE2-ND2 3.15Å; M348-N369 HydrophobicContact CE-CB 3.96Å; M348-N369 WeakPolarHBondContact CE-OD1 3.47Å; F367-N369 VanDerWaalsContact C-N 3.32Å; F367-N369 PolarHBondContact O-N 2.9Å
370	G	26.1	Very low	29.9	Very low	47 Å²	47	91.5 Å²	91.5	49%	0.485	60%	0.597	S	S	.	*	S	Bend	trans	106.2	93.8	175.8	0	0	0	0	0	113.5	I368 L372	I368-G370 VanDerWaalsContact C-N 3.26Å; I368-G370 WeakPolarHBondContact CG2-O 3.44Å; I368-G370 PolarHBondContact O-N 3.16Å; I368-G370 VanDerWaalsContact O-N 3.08Å; G370-L372 PolarHBondContact O-N 2.99Å
371	S	25	Very low	29.9	Very low	77 Å²	77	95.1 Å²	95.1	54%	0.538	61%	0.606	S	S	.	*			trans	-68.2	117.2	167	-57.4	0	0	0	0	109.5	S373	S371-S373 PolarHBondContact O-N 3.04Å; S371-S373 VanDerWaalsContact O-N 3.07Å
372	L	23.7	Very low	29.9	Very low	172 Å²	172	94.1 Å²	94.1	90%	0.901	60%	0.601	S	S	*	*			trans	-77.3	65.6	157.3	-76.8	162.3	0	0	0	108.1	G370 H374	G370-L372 PolarHBondContact O-N 2.99Å; L372-H374 PolarHBondContact O-N 2.71Å
373	S	25	Very low	30.1	Very low	98 Å²	98	96 Å²	96	69%	0.685	61%	0.611	S	S	*	*			trans	-75.1	111.2	169.8	51	0	0	0	0	108.1	S371 G375	S371-S373 PolarHBondContact O-N 3.04Å; S371-S373 VanDerWaalsContact O-N 3.07Å; S373-G375 PolarHBondContact O-N 3.33Å
374	H	24.2	Very low	30.1	Very low	195 Å²	195	100 Å²	100	90%	0.903	62%	0.624	S	S	*	*			trans	-64.1	74.5	160.1	-86	-70.5	0	0	0	108.4	L372 S376	L372-H374 PolarHBondContact O-N 2.71Å; H374-S376 PolarHBondContact O-N 3.44Å
375	G	24.1	Very low	29.5	Very low	65 Å²	65	101.9 Å²	101.9	67%	0.67	64%	0.643	S	S	*	*			trans	-73.4	87.7	174.9	0	0	0	0	0	110.1	S373 S377	S373-G375 PolarHBondContact O-N 3.33Å; G375-S377 VanDerWaalsContact C-N 3.31Å; G375-S377 PolarHBondContact O-N 3.05Å; G375-S377 VanDerWaalsContact O-N 3.07Å
376	S	27.3	Very low	28.6	Very low	128 Å²	128	106.3 Å²	106.3	90%	0.895	67%	0.671	S	S	*	*			trans	-66.5	94.7	155.1	-67.7	0	0	0	0	107.6	H374	H374-S376 PolarHBondContact O-N 3.44Å
377	S	27.1	Very low	27.7	Very low	101 Å²	101	108.5 Å²	108.5	71%	0.706	69%	0.689	S	S	*	*			trans	-130.1	110.9	170	-179.8	0	0	0	0	109.1	G375 G379	G375-S377 VanDerWaalsContact C-N 3.31Å; G375-S377 PolarHBondContact O-N 3.05Å; G375-S377 VanDerWaalsContact O-N 3.07Å; S377-G379 PolarHBondContact O-N 3.22Å
378	S	25.3	Very low	27.1	Very low	111 Å²	111	114.7 Å²	114.7	78%	0.776	72%	0.716	S	S	*	*			trans	-45.2	119.6	163.7	49.2	0	0	0	0	110.3	S380	S378-S380 PolarHBondContact O-N 3.23Å
379	G	24.6	Very low	26.9	Very low	75 Å²	75	116.2 Å²	116.2	77%	0.773	73%	0.733	S	S	*	*			trans	-58.6	105.1	176.2	0	0	0	0	0	110.8	S377	S377-G379 PolarHBondContact O-N 3.22Å
380	S	24.3	Very low	26.7	Very low	108 Å²	108	119.5 Å²	119.5	76%	0.755	76%	0.758	S	S	*	*			trans	-81.9	115.3	157.4	-150.8	0	0	0	0	106.5	S378 N382	S378-S380 PolarHBondContact O-N 3.23Å; S380-N382 PolarHBondContact O-N 2.76Å
381	V	26	Very low	26.9	Very low	136 Å²	136	122.3 Å²	122.3	82%	0.824	77%	0.765	S	S	*	*			trans	-69	114.7	-177.6	-161	0	0	0	0	107.7
382	N	26.4	Very low	27	Very low	139 Å²	139	130.6 Å²	130.6	74%	0.743	78%	0.784	S	S	*	*			trans	-91.7	146.6	166.2	-79.8	-8.4	0	0	0	109.8	S380 F384	S380-N382 PolarHBondContact O-N 2.76Å; N382-F384 PolarHBondContact O-N 3.18Å
383	D	36.5	Very low	27	Very low	154 Å²	154	127.2 Å²	127.2	82%	0.824	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	26.2	-161.9	-160.3	27.6	0	0	0	116.5
384	F	34.6	Very low	26.9	Very low	184 Å²	184	130.5 Å²	130.5	81%	0.807	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	19.9	177	-69.5	-74.2	0	0	0	114.2	N382 V386	N382-F384 PolarHBondContact O-N 3.18Å; F384-V386 PolarHBondContact O-N 2.95Å
385	G	25.2	Very low	27	Very low	75 Å²	75	130.1 Å²	130.1	77%	0.773	77%	0.765	S	S	*	*			trans	60.7	15.8	153.4	0	0	0	0	0	118.2
386	V	26.7	Very low	27	Very low	110 Å²	110	134.1 Å²	134.1	67%	0.667	77%	0.766	S	S	*	*			trans	-117.9	109.7	179.3	-71.1	0	0	0	0	111.7	F384 F388	F384-V386 PolarHBondContact O-N 2.95Å; V386-F388 HydrophobicContact CB-CE2 4.1Å; V386-F388 HydrophobicContact CG2-CD2 4.46Å; V386-F388 HydrophobicContact CG2-CE2 3.97Å
387	S	24	Very low	27.1	Very low	115 Å²	115	132.5 Å²	132.5	80%	0.804	76%	0.755	S	S	*	*			trans	-85.4	106	172.4	47.7	0	0	0	0	110.3
388	F	25.8	Very low	27.1	Very low	188 Å²	188	136.8 Å²	136.8	83%	0.825	76%	0.764	S	S	*	*			trans	-91.5	103.2	165.4	-72.1	-81.7	0	0	0	108.8	V386	V386-F388 HydrophobicContact CB-CE2 4.1Å; V386-F388 HydrophobicContact CG2-CD2 4.46Å; V386-F388 HydrophobicContact CG2-CE2 3.97Å
389	S	28.8	Very low	27.4	Very low	100 Å²	100	137 Å²	137	70%	0.699	76%	0.76	S	S	*	*			trans	-81.3	127.3	163.3	-66.7	0	0	0	0	108.8	V391	S389-V391 PolarHBondContact O-N 3.16Å; S389-V391 VanDerWaalsContact O-N 3.12Å
390	P	30.7	Very low	27.8	Very low	132 Å²	132	141.6 Å²	141.6	86%	0.857	77%	0.767	S	S	*	*			trans	-82.2	90.7	171.4	32	-28.7	0	0	0	108.1
391	V	29.2	Very low	28.2	Very low	105 Å²	105	138.2 Å²	138.2	64%	0.636	75%	0.749	S	S	*	*			trans	-131.8	119.4	162.5	-179.6	0	0	0	0	106.5	S389 T393	S389-V391 PolarHBondContact O-N 3.16Å; S389-V391 VanDerWaalsContact O-N 3.12Å; V391-T393 PolarHBondContact O-N 3.04Å
392	R	27.2	Very low	29	Very low	251 Å²	251	137 Å²	137	95%	0.947	75%	0.747	S	S	*	*			trans	-54.1	90.7	159	-89.7	178.5	165.4	-178.7	-6.3	107.3	R394	R392-R394 PolarHBondContact O-N 3.48Å; R392-R394 VanDerWaalsContact O-N 3.13Å
393	T	23.3	Very low	30	Very low	102 Å²	102	134.3 Å²	134.3	63%	0.626	74%	0.739	S	S	*	*			trans	-69.7	104.2	165.5	25.7	0	0	0	0	106.6	V391 F395	V391-T393 PolarHBondContact O-N 3.04Å; T393-F395 PolarHBondContact O-N 2.97Å
394	R	23.5	Very low	30.5	Very low	166 Å²	166	129.3 Å²	129.3	63%	0.626	72%	0.719	S	S	*	*			trans	-56.6	100.2	164.1	-173.6	-177.9	178.2	108.6	-0	106.7	E323 R392 E396	E323-R394 IonicContact OE1-CZ 3.29Å; E323-R394 IonicContact OE1-NH1 2.85Å; E323-R394 IonicContact OE1-NH2 3.85Å; E323-R394 PolarHBondContact OE1-NH2 3.22Å; E323-R394 IonicContact OE2-NH1 2.87Å; R392-R394 PolarHBondContact O-N 3.48Å; R392-R394 VanDerWaalsContact O-N 3.13Å; R394-E396 HydrophobicContact CG-CG 4.31Å; R394-E396 IonicContact CZ-OE1 2.69Å; R394-E396 IonicContact NE-OE1 3.73Å; R394-E396 PolarHBondContact NE-OE1 3.01Å; R394-E396 VanDerWaalsContact NE-OE1 3.08Å; R394-E396 IonicContact NH2-OE1 3.74Å; R394-E396 PolarHBondContact NH2-OE1 3.19Å; R394-E396 PolarHBondContact O-N 3.09Å
395	F	27.6	Very low	30.9	Very low	188 Å²	188	130.4 Å²	130.4	83%	0.825	72%	0.717	S	S	*	*			trans	-75.5	101.4	165.7	-86	-85.7	0	0	0	106.9	T393	T393-F395 PolarHBondContact O-N 2.97Å
396	E	23.8	Very low	32.1	Very low	148 Å²	148	132.6 Å²	132.6	69%	0.692	71%	0.707	S	S	*	*			trans	-86.2	117.3	153	-67.8	-165.6	176.5	0	0	107.1	R394	R394-E396 HydrophobicContact CG-CG 4.31Å; R394-E396 IonicContact CZ-OE1 2.69Å; R394-E396 IonicContact NE-OE1 3.73Å; R394-E396 PolarHBondContact NE-OE1 3.01Å; R394-E396 VanDerWaalsContact NE-OE1 3.08Å; R394-E396 IonicContact NH2-OE1 3.74Å; R394-E396 PolarHBondContact NH2-OE1 3.19Å; R394-E396 PolarHBondContact O-N 3.09Å
397	S	28.7	Very low	33.2	Very low	95 Å²	95	130 Å²	130	66%	0.664	70%	0.698	S	S	*	*			trans	-148.6	107.8	149.4	68.3	0	0	0	0	108.6	V399	S397-V399 PolarHBondContact O-N 3.39Å
398	E	27	Very low	34.2	Very low	191 Å²	191	129 Å²	129	89%	0.893	68%	0.68	S	S	*	*			trans	-48.5	121.8	161.3	-60.4	172	148.6	0	0	109
399	V	32	Very low	35.4	Very low	116 Å²	116	126 Å²	126	70%	0.703	67%	0.669	S	S	*	*			trans	-116.5	90.5	162.5	-83.3	0	0	0	0	107.3	S397 G401	S397-V399 PolarHBondContact O-N 3.39Å; V399-G401 PolarHBondContact O-N 3.4Å
400	D	31.6	Very low	36.5	Very low	171 Å²	171	126.5 Å²	126.5	91%	0.914	66%	0.66	S	S	*	*			trans	-58.3	113.2	156.7	-88.6	-33.5	0	0	0	108.2
401	G	33.4	Very low	37.2	Very low	37 Å²	37	125 Å²	125	38%	0.381	64%	0.64	S	S	.	*			trans	-174.3	126	174.8	0	0	0	0	0	109.9	V399 S403 A404	V399-G401 PolarHBondContact O-N 3.4Å; G401-S403 PolarHBondContact O-N 3.21Å; G401-A404 WeakPolarHBondContact O-CB 3.45Å; G401-A404 PolarHBondContact O-N 2.87Å
402	S	42.7	Very low	37.8	Very low	111 Å²	111	123.6 Å²	123.6	78%	0.776	62%	0.623	S	S	*	*	H	α-helix	trans	-47.7	-24.6	170.6	47.5	0	0	0	0	113.3	A404 R405 Q406	S402-A404 VanDerWaalsContact C-N 3.32Å; S402-A404 PolarHBondContact O-N 3.35Å; S402-R405 PolarHBondContact O-N 3.46Å; S402-Q406 PolarHBondContact O-N 3.29Å
403	S	47.6	Very low	38.5	Very low	82 Å²	82	115.3 Å²	115.3	57%	0.573	60%	0.596	S	S	*	*	H	α-helix	trans	-64.9	-28.1	173.6	70.8	0	0	0	0	114.2	G401 R405 Q406 A407	G401-S403 PolarHBondContact O-N 3.21Å; S403-R405 VanDerWaalsContact C-N 3.34Å; S403-Q406 PolarHBondContact O-N 3.26Å; S403-A407 WeakPolarHBondContact O-CB 3.5Å; S403-A407 PolarHBondContact O-N 3.15Å
404	A	47.2	Very low	39.3	Very low	49 Å²	49	112.8 Å²	112.8	41%	0.405	59%	0.585	S	S	.	*	H	α-helix	trans	-69.3	-33.5	177.8	0	0	0	0	0	111.6	G401 S402 H408	G401-A404 WeakPolarHBondContact O-CB 3.45Å; G401-A404 PolarHBondContact O-N 2.87Å; S402-A404 VanDerWaalsContact C-N 3.32Å; S402-A404 PolarHBondContact O-N 3.35Å; A404-H408 WeakPolarHBondContact O-CB 3.41Å; A404-H408 PolarHBondContact O-N 3.48Å
405	R	43.6	Very low	40	Very low	206 Å²	206	106.8 Å²	106.8	78%	0.777	56%	0.564	S	S	*	*	H	α-helix	trans	-70.8	-43.2	172.2	-85.1	-176.6	170	167.4	-2.8	111.7	S402 S403 H408 E409	S402-R405 PolarHBondContact O-N 3.46Å; S403-R405 VanDerWaalsContact C-N 3.34Å; R405-H408 WeakPolarHBondContact O-CB 3.26Å; R405-H408 PolarHBondContact O-N 2.95Å; R405-E409 WeakPolarHBondContact O-CB 3.12Å; R405-E409 PolarHBondContact O-N 2.96Å
406	Q	50	Low	40.7	Very low	121 Å²	121	103 Å²	103	57%	0.565	54%	0.544	S	S	*	.	H	α-helix	trans	-67.4	-43.9	179.1	-168.3	173.3	-1.8	0	0	112.1	S402 S403 H408 E409 E410	S402-Q406 PolarHBondContact O-N 3.29Å; S403-Q406 PolarHBondContact O-N 3.26Å; Q406-H408 VanDerWaalsContact C-N 3.3Å; Q406-H408 PolarHBondContact O-N 3.44Å; Q406-E409 PolarHBondContact O-N 3.42Å; Q406-E410 WeakPolarHBondContact O-CB 3.27Å; Q406-E410 WeakPolarHBondContact O-CG 3.47Å; Q406-E410 PolarHBondContact O-N 3.12Å
407	A	49.6	Very low	41.4	Very low	56 Å²	56	102 Å²	102	46%	0.463	54%	0.537	S	S	.	.	H	α-helix	trans	-66.4	-31.6	173.4	0	0	0	0	0	112.3	S403 F411	S403-A407 WeakPolarHBondContact O-CB 3.5Å; S403-A407 PolarHBondContact O-N 3.15Å; A407-F411 WeakPolarHBondContact O-CB 3.38Å; A407-F411 PolarHBondContact O-N 3.33Å
408	H	45.5	Very low	41.9	Very low	94 Å²	94	103.6 Å²	103.6	44%	0.435	53%	0.534	S	S	.	.	H	α-helix	trans	-62.9	-49.4	169.7	-172.4	84.2	0	0	0	110.4	K326 A404 R405 Q406 F411 W412	K326-H408 PolarHBondContact NZ-CE1 2.58Å; K326-H408 VanDerWaalsContact NZ-CE1 3.33Å; K326-H408 PolarHBondContact NZ-NE2 2.79Å; A404-H408 WeakPolarHBondContact O-CB 3.41Å; A404-H408 PolarHBondContact O-N 3.48Å; R405-H408 WeakPolarHBondContact O-CB 3.26Å; R405-H408 PolarHBondContact O-N 2.95Å; Q406-H408 VanDerWaalsContact C-N 3.3Å; Q406-H408 PolarHBondContact O-N 3.44Å; H408-F411 PolarHBondContact O-N 3.36Å; H408-W412 AromaticContact CD2-CD1 3.38Å; H408-W412 AromaticContact CD2-NE1 3.69Å; H408-W412 AromaticContact CE1-CD1 3.69Å; H408-W412 AromaticContact CE1-NE1 3.15Å; H408-W412 PolarHBondContact CE1-NE1 3.12Å; H408-W412 AromaticContact CG-CD1 3.66Å; H408-W412 AromaticContact CG-NE1 3.86Å; H408-W412 AromaticContact ND1-CD1 3.81Å; H408-W412 AromaticContact ND1-NE1 3.52Å; H408-W412 AromaticContact NE2-CD1 3.39Å; H408-W412 AromaticContact NE2-NE1 3.22Å; H408-W412 PolarHBondContact NE2-NE1 3.14Å; H408-W412 WeakPolarHBondContact O-CB 3.45Å; H408-W412 PolarHBondContact O-N 2.65Å
409	E	50.2	Low	42.3	Very low	126 Å²	126	95.7 Å²	95.7	59%	0.589	50%	0.5	S	S	*	.	H	α-helix	trans	-66.1	-47	-177.5	-156.2	137.5	-143.9	0	0	111.8	R405 Q406 F411 W412 E413	R405-E409 WeakPolarHBondContact O-CB 3.12Å; R405-E409 PolarHBondContact O-N 2.96Å; Q406-E409 PolarHBondContact O-N 3.42Å; E409-F411 VanDerWaalsContact C-N 3.32Å; E409-F411 PolarHBondContact O-N 3.44Å; E409-W412 CarbonylContact O-C 3.43Å; E409-W412 PolarHBondContact O-N 3.04Å; E409-W412 VanDerWaalsContact O-N 3.1Å; E409-E413 VanDerWaalsContact O-CB 3.25Å; E409-E413 WeakPolarHBondContact O-CB 3.36Å; E409-E413 PolarHBondContact O-N 3.31Å
410	E	51.9	Low	42.8	Very low	109 Å²	109	94.2 Å²	94.2	51%	0.509	48%	0.482	S	S	.	.	H	α-helix	trans	-59.7	-39.6	173.4	-75.7	172.1	-172.8	0	0	112	Q406 E413 A414	Q406-E410 WeakPolarHBondContact O-CB 3.27Å; Q406-E410 WeakPolarHBondContact O-CG 3.47Å; Q406-E410 PolarHBondContact O-N 3.12Å; E410-E413 PolarHBondContact O-N 3.38Å; E410-A414 VanDerWaalsContact O-CB 3.29Å; E410-A414 WeakPolarHBondContact O-CB 3.41Å; E410-A414 PolarHBondContact O-N 2.75Å
411	F	46	Very low	43.7	Very low	102 Å²	102	88.4 Å²	88.4	45%	0.447	45%	0.453	S	S	.	.	H	α-helix	trans	-65.7	-43.1	173.2	176.1	-94.2	0	0	0	111.8	A407 H408 E409 E413 A414 K415	A407-F411 WeakPolarHBondContact O-CB 3.38Å; A407-F411 PolarHBondContact O-N 3.33Å; H408-F411 PolarHBondContact O-N 3.36Å; E409-F411 VanDerWaalsContact C-N 3.32Å; E409-F411 PolarHBondContact O-N 3.44Å; F411-E413 VanDerWaalsContact C-N 3.33Å; F411-A414 PolarHBondContact O-N 3.46Å; F411-K415 HydrophobicContact CD1-CG 4.23Å; F411-K415 HydrophobicContact CE1-CG 3.93Å; F411-K415 HydrophobicContact CE2-CG 4.41Å; F411-K415 HydrophobicContact CZ-CD 4.42Å; F411-K415 HydrophobicContact CZ-CG 4.04Å; F411-K415 WeakPolarHBondContact O-CB 3.4Å; F411-K415 WeakPolarHBondContact O-CG 3.33Å; F411-K415 PolarHBondContact O-N 3.41Å
412	W	41.5	Very low	44.5	Very low	74 Å²	74	86.6 Å²	86.6	28%	0.28	44%	0.435	S	S	.	.	H	α-helix	trans	-69.7	-29.6	177.1	-81.3	106.7	0	0	0	113.1	K326 H408 E409 K415 R416	K326-W412 HydrophobicContact CB-CH2 4.38Å; K326-W412 HydrophobicContact CB-CZ2 4.3Å; K326-W412 HydrophobicContact CD-CH2 3.94Å; K326-W412 HydrophobicContact CD-CZ2 3.29Å; K326-W412 HydrophobicContact CG-CZ2 4.43Å; H408-W412 AromaticContact CD2-CD1 3.38Å; H408-W412 AromaticContact CD2-NE1 3.69Å; H408-W412 AromaticContact CE1-CD1 3.69Å; H408-W412 AromaticContact CE1-NE1 3.15Å; H408-W412 PolarHBondContact CE1-NE1 3.12Å; H408-W412 AromaticContact CG-CD1 3.66Å; H408-W412 AromaticContact CG-NE1 3.86Å; H408-W412 AromaticContact ND1-CD1 3.81Å; H408-W412 AromaticContact ND1-NE1 3.52Å; H408-W412 AromaticContact NE2-CD1 3.39Å; H408-W412 AromaticContact NE2-NE1 3.22Å; H408-W412 PolarHBondContact NE2-NE1 3.14Å; H408-W412 WeakPolarHBondContact O-CB 3.45Å; H408-W412 PolarHBondContact O-N 2.65Å; E409-W412 CarbonylContact O-C 3.43Å; E409-W412 PolarHBondContact O-N 3.04Å; E409-W412 VanDerWaalsContact O-N 3.1Å; W412-K415 PolarHBondContact O-N 3.17Å; W412-R416 WeakPolarHBondContact O-CB 3.26Å; W412-R416 WeakPolarHBondContact O-CG 3.13Å; W412-R416 PolarHBondContact O-N 3.14Å; W412-R416 PolarHBondContact O-NE 3.42Å
413	E	42.3	Very low	45	Very low	78 Å²	78	82.1 Å²	82.1	36%	0.364	40%	0.403	S	S	.	.	H	α-helix	trans	-73.4	-45.1	174.5	-160	161.3	-114.2	0	0	110.8	E409 E410 F411 K415 R416 K417	E409-E413 VanDerWaalsContact O-CB 3.25Å; E409-E413 WeakPolarHBondContact O-CB 3.36Å; E409-E413 PolarHBondContact O-N 3.31Å; E410-E413 PolarHBondContact O-N 3.38Å; F411-E413 VanDerWaalsContact C-N 3.33Å; E413-K415 PolarHBondContact O-N 3.23Å; E413-R416 PolarHBondContact O-N 2.83Å; E413-R416 IonicContact OE1-NH2 2.68Å; E413-K417 WeakPolarHBondContact O-CG 3.29Å; E413-K417 PolarHBondContact O-N 3.34Å
414	A	39.9	Very low	45.2	Very low	49 Å²	49	79.1 Å²	79.1	41%	0.405	38%	0.381	S	S	.	.	H	α-helix	trans	-60.9	-30.3	169.7	0	0	0	0	0	112.7	E410 F411	E410-A414 VanDerWaalsContact O-CB 3.29Å; E410-A414 WeakPolarHBondContact O-CB 3.41Å; E410-A414 PolarHBondContact O-N 2.75Å; F411-A414 PolarHBondContact O-N 3.46Å
415	K	37.8	Very low	44.7	Very low	40 Å²	40	79.7 Å²	79.7	17%	0.174	38%	0.379	C	S	.	.	H	α-helix	trans	-79.6	-38	176.6	-74.5	-69.7	174	-163.1	0	113.9	V328 F411 W412 E413 K417 Q418	V328-K415 HydrophobicContact CG1-CD 3.97Å; F411-K415 HydrophobicContact CD1-CG 4.23Å; F411-K415 HydrophobicContact CE1-CG 3.93Å; F411-K415 HydrophobicContact CE2-CG 4.41Å; F411-K415 HydrophobicContact CZ-CD 4.42Å; F411-K415 HydrophobicContact CZ-CG 4.04Å; F411-K415 WeakPolarHBondContact O-CB 3.4Å; F411-K415 WeakPolarHBondContact O-CG 3.33Å; F411-K415 PolarHBondContact O-N 3.41Å; W412-K415 PolarHBondContact O-N 3.17Å; E413-K415 PolarHBondContact O-N 3.23Å; K415-K417 PolarHBondContact O-N 3.26Å; K415-Q418 PolarHBondContact O-N 3.16Å
416	R	42.8	Very low	44.4	Very low	109 Å²	109	73.3 Å²	73.3	41%	0.411	36%	0.36	S	S	.	.	H	α-helix	trans	-61.5	-28.1	172	-84	-179.9	-73.7	142.8	-0.1	112.2	W412 E413 Q418	W412-R416 WeakPolarHBondContact O-CB 3.26Å; W412-R416 WeakPolarHBondContact O-CG 3.13Å; W412-R416 PolarHBondContact O-N 3.14Å; W412-R416 PolarHBondContact O-NE 3.42Å; E413-R416 PolarHBondContact O-N 2.83Å; E413-R416 IonicContact OE1-NH2 2.68Å; R416-Q418 VanDerWaalsContact C-N 3.28Å; R416-Q418 PolarHBondContact O-N 3.44Å
417	K	38.7	Very low	43.5	Very low	126 Å²	126	72.5 Å²	72.5	55%	0.548	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.6	172.7	-68.4	175.7	-167.6	-167.3	0	114.6	E413 K415 L436	E413-K417 WeakPolarHBondContact O-CG 3.29Å; E413-K417 PolarHBondContact O-N 3.34Å; K415-K417 PolarHBondContact O-N 3.26Å; K417-L436 HydrophobicContact CD-CD1 4.21Å; K417-L436 HydrophobicContact CD-CD2 4.4Å; K417-L436 HydrophobicContact CG-CD1 3.84Å
418	Q	37.7	Very low	42.6	Very low	128 Å²	128	76.9 Å²	76.9	60%	0.598	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-5.4	-170.6	-69.4	-179.4	-4.9	0	0	114.7	K415 R416	K415-Q418 PolarHBondContact O-N 3.16Å; R416-Q418 VanDerWaalsContact C-N 3.28Å; R416-Q418 PolarHBondContact O-N 3.44Å
419	S	35.9	Very low	42.1	Very low	25 Å²	25	74.5 Å²	74.5	18%	0.175	37%	0.366	C	S	.	.			trans	-168.6	137	178.4	51.4	0	0	0	0	109.6	S329	S329-S419 WeakPolarHBondContact CB-OG 3.26Å; S329-S419 PolarHBondContact OG-OG 3.28Å
420	R	43.9	Very low	41.1	Very low	85 Å²	85	72.2 Å²	72.2	32%	0.321	36%	0.363	S	S	.	.			trans	-90	134.1	176.6	-68.3	179.5	87.1	-163.6	21.6	110.5	N449	R420-N449 VanDerWaalsContact CD-OD1 3.25Å; R420-N449 WeakPolarHBondContact CD-OD1 2.95Å; R420-N449 VanDerWaalsContact NH1-CG 3.28Å; R420-N449 PolarHBondContact NH1-ND2 3.37Å; R420-N449 VanDerWaalsContact NH1-ND2 3.11Å; R420-N449 PolarHBondContact NH1-OD1 3.41Å
421	P	48.9	Very low	40.1	Very low	49 Å²	49	70.6 Å²	70.6	32%	0.318	36%	0.36	S	S	.	.			trans	-64	157.2	173.3	26.3	-32	0	0	0	110.9	A292 C423 I429	A292-P421 HydrophobicContact CB-CB 3.48Å; A292-P421 VanDerWaalsContact CB-CB 3.48Å; P421-C423 PolarHBondContact O-N 3.37Å; P421-I429 HydrophobicContact CG-CD1 4.21Å
422	A	51.8	Low	39.6	Very low	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.348	C	S	.	.	S	Bend	trans	-61	3.8	173.7	0	0	0	0	0	115.8	F231 E232 A292 F294 L452	F231-A422 HydrophobicContact CE1-CB 4.11Å; E232-A422 WeakPolarHBondContact OE1-CB 3.37Å; A292-A422 HydrophobicContact CB-CB 4.07Å; F294-A422 HydrophobicContact CD2-CB 4.48Å; A422-L452 HydrophobicContact CB-CD2 3.94Å
423	C	52.1	Low	39.2	Very low	16 Å²	16	66.3 Å²	66.3	11%	0.108	35%	0.353	C	S	.	.			trans	-109.2	114.5	176.7	-173.9	0	0	0	0	109.1	R293 D295 P421 I426 I429	R293-C423 VanDerWaalsContact O-CB 3.25Å; R293-C423 WeakPolarHBondContact O-CB 3.48Å; D295-C423 PolarHBondContact OD1-SG 2.89Å; P421-C423 PolarHBondContact O-N 3.37Å; C423-I426 VanDerWaalsContact SG-CG1 3.59Å; C423-I429 VanDerWaalsContact O-CD1 3.3Å; C423-I429 WeakPolarHBondContact O-CD1 3.41Å
424	L	51.5	Low	38.7	Very low	20 Å²	20	69.7 Å²	69.7	11%	0.105	37%	0.368	C	S	.	.			trans	-91.8	-35.1	171.6	-53.4	167.4	0	0	0	111.9	D295 I426 A486 C490	D295-L424 VanDerWaalsContact OD2-CA 3.3Å; D295-L424 WeakPolarHBondContact OD2-CA 3.47Å; D295-L424 WeakPolarHBondContact OD2-CB 3.32Å; D295-L424 PolarHBondContact OD2-N 3.06Å; L424-I426 PolarHBondContact O-N 2.81Å; L424-A486 HydrophobicContact CD1-CB 4.14Å; L424-A486 WeakPolarHBondContact CD1-O 3.33Å; L424-C490 WeakPolarHBondContact CD1-SG 3.33Å; L424-C490 VanDerWaalsContact CD2-SG 3.59Å
425	V	37.9	Very low	38.4	Very low	61 Å²	61	75 Å²	75	37%	0.37	39%	0.385	S	S	.	.			trans	-99.6	66.5	-167.6	-167.2	0	0	0	0	111.6	D295 F482	D295-V425 PolarHBondContact OD2-N 3.44Å; V425-F482 HydrophobicContact CB-CZ 4.5Å; V425-F482 HydrophobicContact CG1-CE2 4.41Å; V425-F482 HydrophobicContact CG2-CE2 4.05Å; V425-F482 HydrophobicContact CG2-CZ 3.97Å
426	I	35.5	Very low	38.4	Very low	72 Å²	72	76.2 Å²	76.2	37%	0.369	39%	0.393	S	S	.	.			trans	-130.2	126.3	155	-59.2	173.1	0	0	0	107.2	C423 L424 E428 I429	C423-I426 VanDerWaalsContact SG-CG1 3.59Å; L424-I426 PolarHBondContact O-N 2.81Å; I426-E428 HydrophobicContact CG2-CB 3.89Å; I426-E428 HydrophobicContact CG2-CG 4.33Å; I426-E428 PolarHBondContact O-N 3.39Å; I426-E428 VanDerWaalsContact O-N 3.08Å; I426-I429 HydrophobicContact CB-CD1 4.44Å; I426-I429 PolarHBondContact O-N 3.17Å
427	P	31.4	Very low	38	Very low	103 Å²	103	74.9 Å²	74.9	67%	0.669	40%	0.4	S	S	*	.	H	α-helix	trans	-52.4	-32.1	178.4	-25.8	32.9	0	0	0	113.5	I429 C430 V431	P427-I429 PolarHBondContact O-N 2.8Å; P427-I429 VanDerWaalsContact O-N 3.1Å; P427-C430 PolarHBondContact O-N 2.87Å; P427-V431 WeakPolarHBondContact O-CG2 3.5Å; P427-V431 PolarHBondContact O-N 2.91Å
428	E	30.9	Very low	37.7	Very low	149 Å²	149	76.8 Å²	76.8	70%	0.696	42%	0.417	S	S	*	.	H	α-helix	trans	-63.7	-10	176.8	-67.1	168.8	164.7	0	0	114.2	I426 V432	I426-E428 HydrophobicContact CG2-CB 3.89Å; I426-E428 HydrophobicContact CG2-CG 4.33Å; I426-E428 PolarHBondContact O-N 3.39Å; I426-E428 VanDerWaalsContact O-N 3.08Å; E428-V432 WeakPolarHBondContact O-CG2 3.09Å
429	I	36.1	Very low	37.3	Very low	44 Å²	44	74.9 Å²	74.9	23%	0.226	42%	0.416	C	S	.	.	H	α-helix	trans	-89.5	-36.9	171.1	-62.9	172.4	0	0	0	110.7	P421 C423 I426 P427 V432 S433	P421-I429 HydrophobicContact CG-CD1 4.21Å; C423-I429 VanDerWaalsContact O-CD1 3.3Å; C423-I429 WeakPolarHBondContact O-CD1 3.41Å; I426-I429 HydrophobicContact CB-CD1 4.44Å; I426-I429 PolarHBondContact O-N 3.17Å; P427-I429 PolarHBondContact O-N 2.8Å; P427-I429 VanDerWaalsContact O-N 3.1Å; I429-V432 PolarHBondContact O-N 2.84Å; I429-S433 PolarHBondContact O-N 2.69Å; I429-S433 PolarHBondContact O-OG 2.77Å; I429-S433 VanDerWaalsContact O-OG 3.14Å
430	C	28	Very low	37	Very low	77 Å²	77	82 Å²	82	52%	0.52	45%	0.452	S	S	.	.	H	α-helix	trans	-65.2	-42.1	177.8	-79.5	0	0	0	0	112.6	P427 V432 S433 E434	P427-C430 PolarHBondContact O-N 2.87Å; C430-V432 PolarHBondContact O-N 2.87Å; C430-S433 WeakPolarHBondContact O-CB 3.07Å; C430-S433 PolarHBondContact O-N 3.11Å; C430-S433 VanDerWaalsContact O-N 3.08Å; C430-E434 PolarHBondContact O-N 3.43Å
431	V	30.5	Very low	36.3	Very low	76 Å²	76	86 Å²	86	46%	0.461	48%	0.475	S	S	.	.	H	α-helix	trans	-62	-30.3	176.7	-111.2	0	0	0	0	112.5	P427 E435	P427-V431 WeakPolarHBondContact O-CG2 3.5Å; P427-V431 PolarHBondContact O-N 2.91Å; V431-E435 WeakPolarHBondContact O-CG 3.44Å; V431-E435 PolarHBondContact O-N 3.03Å
432	V	35.7	Very low	35.3	Very low	32 Å²	32	92.9 Å²	92.9	19%	0.194	50%	0.5	C	S	.	.	H	α-helix	trans	-80.1	-25	178.5	-172.1	0	0	0	0	111.1	E428 I429 C430 L436	E428-V432 WeakPolarHBondContact O-CG2 3.09Å; I429-V432 PolarHBondContact O-N 2.84Å; C430-V432 PolarHBondContact O-N 2.87Å; V432-L436 HydrophobicContact CG1-CD1 3.95Å; V432-L436 WeakPolarHBondContact O-CB 3.25Å; V432-L436 VanDerWaalsContact O-CD1 3.23Å; V432-L436 WeakPolarHBondContact O-CD1 3.36Å; V432-L436 WeakPolarHBondContact O-CG 3.23Å
433	S	33.8	Very low	34.6	Very low	54 Å²	54	101.4 Å²	101.4	38%	0.378	54%	0.54	S	S	.	.	H	α-helix	trans	-71.8	-38.6	173.7	-56.3	0	0	0	0	112.3	I429 C430	I429-S433 PolarHBondContact O-N 2.69Å; I429-S433 PolarHBondContact O-OG 2.77Å; I429-S433 VanDerWaalsContact O-OG 3.14Å; C430-S433 WeakPolarHBondContact O-CB 3.07Å; C430-S433 PolarHBondContact O-N 3.11Å; C430-S433 VanDerWaalsContact O-N 3.08Å
434	E	32	Very low	33.8	Very low	148 Å²	148	108.2 Å²	108.2	69%	0.692	57%	0.57	S	S	*	*	H	α-helix	trans	-74.4	-34.7	179.6	-71.9	175	179.5	0	0	112.8	C430 L436 S437	C430-E434 PolarHBondContact O-N 3.43Å; E434-L436 PolarHBondContact O-N 3.17Å; E434-S437 PolarHBondContact O-OG 3.09Å
435	E	33.3	Very low	33.4	Very low	161 Å²	161	111.7 Å²	111.7	75%	0.752	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-9.3	177	-70.4	-176.8	174	0	0	113.7	V431	V431-E435 WeakPolarHBondContact O-CG 3.44Å; V431-E435 PolarHBondContact O-N 3.03Å
436	L	38.7	Very low	33.9	Very low	65 Å²	65	110.2 Å²	110.2	34%	0.34	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.9	-2	-178.9	-69.8	177	0	0	0	114.3	K417 V432 E434 D438	K417-L436 HydrophobicContact CD-CD1 4.21Å; K417-L436 HydrophobicContact CD-CD2 4.4Å; K417-L436 HydrophobicContact CG-CD1 3.84Å; V432-L436 HydrophobicContact CG1-CD1 3.95Å; V432-L436 WeakPolarHBondContact O-CB 3.25Å; V432-L436 VanDerWaalsContact O-CD1 3.23Å; V432-L436 WeakPolarHBondContact O-CD1 3.36Å; V432-L436 WeakPolarHBondContact O-CG 3.23Å; E434-L436 PolarHBondContact O-N 3.17Å; L436-D438 VanDerWaalsContact C-N 3.28Å; L436-D438 PolarHBondContact O-N 2.71Å
437	S	34.7	Very low	34.7	Very low	81 Å²	81	108.7 Å²	108.7	57%	0.566	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	14.9	-175.3	68.6	0	0	0	0	115.3	E434 C439	E434-S437 PolarHBondContact O-OG 3.09Å; S437-C439 PolarHBondContact O-N 3.37Å
438	D	31.8	Very low	35.8	Very low	167 Å²	167	105.3 Å²	105.3	89%	0.893	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	10	169.6	-89.4	-5.4	0	0	0	113.2	L436	L436-D438 VanDerWaalsContact C-N 3.28Å; L436-D438 PolarHBondContact O-N 2.71Å
439	C	28.9	Very low	37.5	Very low	87 Å²	87	99.1 Å²	99.1	59%	0.588	53%	0.531	S	S	*	.	S	Bend	trans	-115.5	109	171.2	-48.1	0	0	0	0	109	S437 E441	S437-C439 PolarHBondContact O-N 3.37Å; C439-E441 PolarHBondContact O-N 2.93Å
440	D	29.3	Very low	39.7	Very low	175 Å²	175	102.3 Å²	102.3	94%	0.936	54%	0.543	S	S	*	.			trans	-64.6	35.7	168.2	-80.2	-45.4	0	0	0	113.2	K442	D440-K442 PolarHBondContact O-N 2.88Å
441	E	29.1	Very low	42.6	Very low	168 Å²	168	99.9 Å²	99.9	79%	0.785	53%	0.525	S	S	*	.			trans	-84	103.4	164.7	-68.3	-165.1	175.6	0	0	107	C439 E443	C439-E441 PolarHBondContact O-N 2.93Å; E441-E443 PolarHBondContact O-N 2.9Å
442	K	28.4	Very low	45.4	Very low	194 Å²	194	96.2 Å²	96.2	84%	0.843	50%	0.503	S	S	*	.			trans	-35.8	115	166.1	-67.7	179.4	177.5	-178.9	0	108	D440 E444	D440-K442 PolarHBondContact O-N 2.88Å; K442-E444 VanDerWaalsContact C-N 3.3Å; K442-E444 PolarHBondContact O-N 3.48Å
443	E	37.7	Very low	48.2	Very low	180 Å²	180	94.7 Å²	94.7	84%	0.841	49%	0.494	S	S	*	.			trans	-52.4	101.6	172.2	-74.5	-166.8	153.5	0	0	107.1	E441 D445	E441-E443 PolarHBondContact O-N 2.9Å; E443-D445 PolarHBondContact O-N 2.89Å
444	E	35.6	Very low	51.1	Low	159 Å²	159	93.6 Å²	93.6	74%	0.743	49%	0.487	S	S	*	.			trans	-65.1	92.4	166.2	-81.3	-174.1	164.5	0	0	105.9	K442 S446	K442-E444 VanDerWaalsContact C-N 3.3Å; K442-E444 PolarHBondContact O-N 3.48Å; E444-S446 PolarHBondContact O-N 2.84Å
445	D	41.8	Very low	54.2	Low	92 Å²	92	86.5 Å²	86.5	49%	0.492	45%	0.454	S	S	.	.			trans	-13	91.7	161.3	-179.8	21	0	0	0	111.9	E443 G447 K450	E443-D445 PolarHBondContact O-N 2.89Å; D445-G447 PolarHBondContact O-N 3.26Å; D445-K450 VanDerWaalsContact CG-CE 3.43Å; D445-K450 WeakPolarHBondContact OD1-CE 3.33Å; D445-K450 IonicContact OD1-NZ 3.52Å; D445-K450 WeakPolarHBondContact OD2-CE 3.48Å; D445-K450 IonicContact OD2-NZ 2.72Å; D445-K450 PolarHBondContact OD2-NZ 2.8Å
446	S	48.7	Very low	57.2	Low	30 Å²	30	78.9 Å²	78.9	21%	0.21	42%	0.419	C	S	.	.			trans	-64.6	122.6	179.2	61.9	0	0	0	0	107.7	E444 D448 N449	E444-S446 PolarHBondContact O-N 2.84Å; S446-D448 PolarHBondContact O-N 2.92Å; S446-N449 WeakPolarHBondContact O-CB 3.42Å; S446-N449 PolarHBondContact O-N 3.41Å; S446-N449 PolarHBondContact OG-ND2 2.55Å
447	G	51.6	Low	60	Low	41 Å²	41	76.1 Å²	76.1	42%	0.423	40%	0.404	S	S	.	.	H	α-helix	trans	-51.1	-27.9	175	0	0	0	0	0	112.8	D445 N449 K450 I451	D445-G447 PolarHBondContact O-N 3.26Å; G447-N449 VanDerWaalsContact C-N 3.33Å; G447-N449 PolarHBondContact O-N 3.32Å; G447-K450 WeakPolarHBondContact O-CB 3.4Å; G447-K450 PolarHBondContact O-N 3.24Å; G447-K450 VanDerWaalsContact O-N 3.15Å; G447-I451 PolarHBondContact O-N 3.27Å
448	D	55.2	Low	63	Low	32 Å²	32	72.5 Å²	72.5	17%	0.171	38%	0.379	C	S	.	.	H	α-helix	trans	-57.3	-39.5	175	-53.6	-3.8	0	0	0	113.2	S446 K450 I451 L452	S446-D448 PolarHBondContact O-N 2.92Å; D448-K450 VanDerWaalsContact C-N 3.32Å; D448-I451 PolarHBondContact O-N 3.19Å; D448-L452 PolarHBondContact O-N 3.25Å; D448-L452 VanDerWaalsContact O-N 3.16Å
449	N	67.7	Low	66.2	Low	18 Å²	18	64.6 Å²	64.6	10%	0.096	34%	0.336	C	S	.	.	H	α-helix	trans	-65.3	-38.6	177	-85	-24.6	0	0	0	111.4	R420 S446 G447 I451 L452 G453 C490	R420-N449 VanDerWaalsContact CD-OD1 3.25Å; R420-N449 WeakPolarHBondContact CD-OD1 2.95Å; R420-N449 VanDerWaalsContact NH1-CG 3.28Å; R420-N449 PolarHBondContact NH1-ND2 3.37Å; R420-N449 VanDerWaalsContact NH1-ND2 3.11Å; R420-N449 PolarHBondContact NH1-OD1 3.41Å; S446-N449 WeakPolarHBondContact O-CB 3.42Å; S446-N449 PolarHBondContact O-N 3.41Å; S446-N449 PolarHBondContact OG-ND2 2.55Å; G447-N449 VanDerWaalsContact C-N 3.33Å; G447-N449 PolarHBondContact O-N 3.32Å; N449-I451 VanDerWaalsContact C-N 3.33Å; N449-I451 PolarHBondContact O-N 3.06Å; N449-L452 PolarHBondContact O-N 2.75Å; N449-G453 PolarHBondContact O-N 3.33Å; N449-C490 CarbonylContact C-O 3.57Å; N449-C490 VanDerWaalsContact O-CB 3.28Å; N449-C490 WeakPolarHBondContact O-CB 3.25Å; N449-C490 PolarHBondContact O-SG 3.32Å; N449-C490 VanDerWaalsContact O-SG 3.38Å
450	K	81.6	Confident	69.5	Low	112 Å²	112	60.4 Å²	60.4	49%	0.487	31%	0.308	S	S	.	.	H	α-helix	trans	-63.6	-39.8	177.4	-65.6	-179.2	171.4	163.9	0	112	D445 G447 D448 G453 A454	D445-K450 VanDerWaalsContact CG-CE 3.43Å; D445-K450 WeakPolarHBondContact OD1-CE 3.33Å; D445-K450 IonicContact OD1-NZ 3.52Å; D445-K450 WeakPolarHBondContact OD2-CE 3.48Å; D445-K450 IonicContact OD2-NZ 2.72Å; D445-K450 PolarHBondContact OD2-NZ 2.8Å; G447-K450 WeakPolarHBondContact O-CB 3.4Å; G447-K450 PolarHBondContact O-N 3.24Å; G447-K450 VanDerWaalsContact O-N 3.15Å; D448-K450 VanDerWaalsContact C-N 3.32Å; K450-G453 PolarHBondContact O-N 3.22Å; K450-A454 WeakPolarHBondContact O-CB 3.34Å; K450-A454 PolarHBondContact O-N 3.15Å
451	I	88.5	Confident	72.7	Confident	25 Å²	25	55.5 Å²	55.5	13%	0.128	28%	0.277	C	S	.	.	H	α-helix	trans	-67.5	-47.4	179.5	-58.9	171	0	0	0	110.5	H236 Q237 A258 T270 G447 D448 N449 G453 A454 I455	H236-I451 HydrophobicContact CB-CB 4.21Å; H236-I451 HydrophobicContact CB-CD1 4.37Å; H236-I451 HydrophobicContact CB-CG2 3.83Å; H236-I451 WeakPolarHBondContact O-CG2 3.4Å; Q237-I451 HydrophobicContact CG-CD1 4.4Å; A258-I451 HydrophobicContact CB-CB 4.48Å; A258-I451 HydrophobicContact CB-CD1 3.62Å; A258-I451 HydrophobicContact CB-CG1 3.79Å; A258-I451 HydrophobicContact CB-CG2 3.85Å; T270-I451 HydrophobicContact CG2-CG2 4.43Å; G447-I451 PolarHBondContact O-N 3.27Å; D448-I451 PolarHBondContact O-N 3.19Å; N449-I451 VanDerWaalsContact C-N 3.33Å; N449-I451 PolarHBondContact O-N 3.06Å; I451-G453 VanDerWaalsContact C-N 3.27Å; I451-G453 PolarHBondContact O-N 2.8Å; I451-A454 PolarHBondContact O-N 3.39Å; I451-I455 HydrophobicContact CG2-CD1 4.04Å; I451-I455 WeakPolarHBondContact O-CG1 3.49Å; I451-I455 PolarHBondContact O-N 3.36Å
452	L	90.1	Very high	76	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.1	-41.6	174.9	-71.1	175	0	0	0	111.6	F231 H236 A422 D448 N449 A454 I455 H456	F231-L452 HydrophobicContact CE1-CD2 4.26Å; F231-L452 HydrophobicContact CZ-CD2 3.97Å; H236-L452 WeakPolarHBondContact ND1-CG 3.33Å; A422-L452 HydrophobicContact CB-CD2 3.94Å; D448-L452 PolarHBondContact O-N 3.25Å; D448-L452 VanDerWaalsContact O-N 3.16Å; N449-L452 PolarHBondContact O-N 2.75Å; L452-A454 VanDerWaalsContact C-N 3.34Å; L452-A454 PolarHBondContact O-N 3.29Å; L452-I455 PolarHBondContact O-N 2.85Å; L452-H456 PolarHBondContact O-CD2 2.87Å; L452-H456 PolarHBondContact O-N 3.33Å
453	G	92.9	Very high	79.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-42.3	175.6	0	0	0	0	0	112.8	N449 K450 I451 H456 L457 A487 C490	N449-G453 PolarHBondContact O-N 3.33Å; K450-G453 PolarHBondContact O-N 3.22Å; I451-G453 VanDerWaalsContact C-N 3.27Å; I451-G453 PolarHBondContact O-N 2.8Å; G453-H456 PolarHBondContact O-N 3.02Å; G453-L457 VanDerWaalsContact O-CB 3.29Å; G453-L457 WeakPolarHBondContact O-CB 3.49Å; G453-L457 PolarHBondContact O-N 2.81Å; G453-A487 VanDerWaalsContact O-CB 3.31Å; G453-A487 WeakPolarHBondContact O-CB 3.5Å; G453-C490 PolarHBondContact N-SG 3.23Å
454	A	95.2	Very high	81.9	Confident	30 Å²	30	33.5 Å²	33.5	25%	0.248	18%	0.176	C	C	.	.	H	α-helix	trans	-65.1	-40.4	175.8	0	0	0	0	0	112.4	T270 K450 I451 L452 L457 D458	T270-A454 HydrophobicContact CG2-CB 3.85Å; K450-A454 WeakPolarHBondContact O-CB 3.34Å; K450-A454 PolarHBondContact O-N 3.15Å; I451-A454 PolarHBondContact O-N 3.39Å; L452-A454 VanDerWaalsContact C-N 3.34Å; L452-A454 PolarHBondContact O-N 3.29Å; A454-L457 PolarHBondContact O-N 3.43Å; A454-D458 WeakPolarHBondContact O-CB 3.33Å; A454-D458 PolarHBondContact O-N 3.38Å
455	I	96.6	Very high	84.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-44.8	176.7	-64.6	167.3	0	0	0	110.8	F231 T270 M273 A274 F277 F294 I451 L452 D458 L459	F231-I455 HydrophobicContact CE2-CD1 3.5Å; F231-I455 HydrophobicContact CZ-CD1 3.57Å; T270-I455 HydrophobicContact CG2-CG1 4.07Å; M273-I455 HydrophobicContact CB-CD1 3.96Å; M273-I455 HydrophobicContact CB-CG1 4.12Å; M273-I455 HydrophobicContact SD-CD1 3.95Å; M273-I455 HydrophobicContact SD-CG1 4.48Å; A274-I455 HydrophobicContact CB-CG2 3.99Å; F277-I455 HydrophobicContact CD2-CG2 4.43Å; F294-I455 HydrophobicContact CE2-CB 4.43Å; F294-I455 HydrophobicContact CE2-CG2 3.68Å; F294-I455 HydrophobicContact CZ-CG2 3.63Å; I451-I455 HydrophobicContact CG2-CD1 4.04Å; I451-I455 WeakPolarHBondContact O-CG1 3.49Å; I451-I455 PolarHBondContact O-N 3.36Å; L452-I455 PolarHBondContact O-N 2.85Å; I455-D458 PolarHBondContact O-N 2.96Å; I455-L459 PolarHBondContact O-N 3.46Å
456	H	97.3	Very high	87.2	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.6	-41.9	174.7	-81.1	-51.7	0	0	0	112.1	F294 D295 L452 G453 D458 L459 A460 H483 A486 A487	F294-H456 AromaticContact CE1-CE1 3.6Å; F294-H456 AromaticContact CE1-ND1 3.97Å; F294-H456 AromaticContact CZ-CE1 3.34Å; F294-H456 WeakPolarHBondContact CZ-CE1 3.37Å; F294-H456 AromaticContact CZ-ND1 3.59Å; F294-H456 AromaticContact CZ-NE2 3.89Å; D295-H456 PolarHBondContact O-CE1 2.62Å; D295-H456 VanDerWaalsContact O-CE1 3.32Å; L452-H456 PolarHBondContact O-CD2 2.87Å; L452-H456 PolarHBondContact O-N 3.33Å; G453-H456 PolarHBondContact O-N 3.02Å; H456-D458 VanDerWaalsContact C-N 3.3Å; H456-D458 PolarHBondContact O-N 2.76Å; H456-L459 WeakPolarHBondContact O-CB 3.49Å; H456-L459 PolarHBondContact O-N 3.1Å; H456-L459 VanDerWaalsContact O-N 3.13Å; H456-A460 PolarHBondContact O-N 3.17Å; H456-H483 AromaticContact CE1-ND1 3.73Å; H456-H483 AromaticContact ND1-CE1 3.75Å; H456-H483 AromaticContact ND1-ND1 3.03Å; H456-H483 PolarHBondContact ND1-ND1 3.37Å; H456-H483 WeakPolarHBondContact O-CB 3.47Å; H456-A486 HydrophobicContact CB-CB 4.21Å; H456-A487 HydrophobicContact CB-CB 3.94Å
457	L	97.3	Very high	89.3	Confident	7 Å²	7	32.1 Å²	32.1	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-41	176.1	-175.1	62.2	0	0	0	111.8	G453 A454 L459 A460 R461 L484 A487 E494 A495 L510	G453-L457 VanDerWaalsContact O-CB 3.29Å; G453-L457 WeakPolarHBondContact O-CB 3.49Å; G453-L457 PolarHBondContact O-N 2.81Å; A454-L457 PolarHBondContact O-N 3.43Å; L457-L459 VanDerWaalsContact C-N 3.35Å; L457-L459 PolarHBondContact O-N 2.74Å; L457-A460 WeakPolarHBondContact O-CB 3.35Å; L457-A460 PolarHBondContact O-N 3.23Å; L457-R461 WeakPolarHBondContact O-CG 3.15Å; L457-R461 PolarHBondContact O-N 3.39Å; L457-L484 HydrophobicContact CD1-CD1 4.1Å; L457-A487 HydrophobicContact CB-CB 4Å; L457-E494 HydrophobicContact CD2-CB 4.23Å; L457-E494 HydrophobicContact CD2-CG 4.44Å; L457-E494 WeakPolarHBondContact CD2-OE2 3.36Å; L457-A495 HydrophobicContact CD1-CB 4.28Å; L457-L510 HydrophobicContact CD1-CD2 3.41Å; L457-L510 VanDerWaalsContact CD1-CD2 3.41Å
458	D	98.1	Very high	91.3	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.032	16%	0.16	C	C	.	.	H	α-helix	trans	-66.1	-34.9	174.9	-74	-31.4	0	0	0	112.5	T270 K271 A274 A454 I455 H456 R461 Y462	T270-D458 VanDerWaalsContact C-OD2 3.27Å; T270-D458 VanDerWaalsContact CB-OD2 3.25Å; T270-D458 WeakPolarHBondContact CB-OD2 3.29Å; T270-D458 PolarHBondContact OG1-OD2 3.18Å; K271-D458 HydrophobicContact CG-CB 4.38Å; K271-D458 WeakPolarHBondContact CG-OD2 3.5Å; K271-D458 PolarHBondContact N-OD2 2.92Å; K271-D458 VanDerWaalsContact N-OD2 3.08Å; A274-D458 HydrophobicContact CB-CB 4.04Å; A454-D458 WeakPolarHBondContact O-CB 3.33Å; A454-D458 PolarHBondContact O-N 3.38Å; I455-D458 PolarHBondContact O-N 2.96Å; H456-D458 VanDerWaalsContact C-N 3.3Å; H456-D458 PolarHBondContact O-N 2.76Å; D458-R461 PolarHBondContact O-N 3.34Å; D458-R461 IonicContact OD1-NH1 2.6Å; D458-R461 PolarHBondContact OD1-NH1 3.03Å; D458-Y462 WeakPolarHBondContact O-CD2 3.5Å; D458-Y462 PolarHBondContact O-N 2.91Å
459	L	97.9	Very high	93	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.9	-42.5	171.1	-75.2	170.6	0	0	0	112.1	A274 Y278 F294 I455 H456 L457 R461 Y462 H463 F468 H483	A274-L459 HydrophobicContact CB-CD2 3.97Å; A274-L459 HydrophobicContact CB-CG 3.83Å; A274-L459 WeakPolarHBondContact O-CD2 3.43Å; Y278-L459 HydrophobicContact CD2-CD2 4.41Å; F294-L459 HydrophobicContact CE1-CD1 3.44Å; F294-L459 VanDerWaalsContact CE1-CD1 3.44Å; F294-L459 HydrophobicContact CZ-CD1 3.67Å; I455-L459 PolarHBondContact O-N 3.46Å; H456-L459 WeakPolarHBondContact O-CB 3.49Å; H456-L459 PolarHBondContact O-N 3.1Å; H456-L459 VanDerWaalsContact O-N 3.13Å; L457-L459 VanDerWaalsContact C-N 3.35Å; L457-L459 PolarHBondContact O-N 2.74Å; L459-R461 VanDerWaalsContact C-N 3.34Å; L459-R461 PolarHBondContact O-N 3.09Å; L459-Y462 PolarHBondContact O-N 3.49Å; L459-H463 PolarHBondContact O-CD2 3.03Å; L459-H463 PolarHBondContact O-N 3.32Å; L459-F468 HydrophobicContact CD2-CE2 4.37Å; L459-F468 HydrophobicContact CD2-CZ 4.33Å; L459-H483 HydrophobicContact CB-CB 4.16Å
460	A	98	Very high	94	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.5	-46.3	175.7	0	0	0	0	0	111.3	H456 L457 Y462 H463 E464 H483 L484	H456-A460 PolarHBondContact O-N 3.17Å; L457-A460 WeakPolarHBondContact O-CB 3.35Å; L457-A460 PolarHBondContact O-N 3.23Å; A460-Y462 PolarHBondContact O-N 3.48Å; A460-H463 PolarHBondContact O-N 2.96Å; A460-E464 PolarHBondContact O-N 2.77Å; A460-H483 HydrophobicContact CB-CB 4.07Å; A460-L484 HydrophobicContact CB-CB 4.31Å
461	R	97.5	Very high	94.4	Very high	72 Å²	72	41.4 Å²	41.4	27%	0.272	21%	0.213	S	C	.	.	H	α-helix	trans	-60.9	-41.6	174.4	-69.5	173.7	-178.8	141.3	-3.3	112.8	L457 D458 L459 H463 E464 L465 E494 L510	L457-R461 WeakPolarHBondContact O-CG 3.15Å; L457-R461 PolarHBondContact O-N 3.39Å; D458-R461 PolarHBondContact O-N 3.34Å; D458-R461 IonicContact OD1-NH1 2.6Å; D458-R461 PolarHBondContact OD1-NH1 3.03Å; L459-R461 VanDerWaalsContact C-N 3.34Å; L459-R461 PolarHBondContact O-N 3.09Å; R461-H463 VanDerWaalsContact C-N 3.3Å; R461-H463 PolarHBondContact O-N 3.24Å; R461-E464 PolarHBondContact O-N 2.86Å; R461-L465 WeakPolarHBondContact O-CB 3.44Å; R461-L465 VanDerWaalsContact O-CG 3.24Å; R461-L465 WeakPolarHBondContact O-CG 3.48Å; R461-L465 PolarHBondContact O-N 3.02Å; R461-E494 IonicContact CZ-OE1 3.9Å; R461-E494 IonicContact CZ-OE2 3.24Å; R461-E494 IonicContact NE-OE1 3.99Å; R461-E494 IonicContact NH2-OE1 3.77Å; R461-E494 PolarHBondContact NH2-OE1 3.44Å; R461-E494 IonicContact NH2-OE2 2.6Å; R461-E494 PolarHBondContact NH2-OE2 3.31Å; R461-L510 HydrophobicContact CB-CD1 4.48Å; R461-L510 HydrophobicContact CG-CD1 3.71Å; R461-L510 HydrophobicContact CG-CD2 4.4Å
462	Y	97.4	Very high	94.4	Very high	28 Å²	28	44.1 Å²	44.1	11%	0.11	25%	0.247	C	C	.	.	H	α-helix	trans	-65.4	-34.6	178.2	-76.3	-45.9	0	0	0	113.2	K271 A274 L275 D458 L459 A460 K467 F468	K271-Y462 WeakPolarHBondContact CB-OH 3.46Å; K271-Y462 WeakPolarHBondContact O-CE2 3.42Å; K271-Y462 PolarHBondContact O-OH 2.89Å; A274-Y462 HydrophobicContact CB-CD2 4.32Å; A274-Y462 HydrophobicContact CB-CE2 4.04Å; L275-Y462 HydrophobicContact CD1-CE2 4.34Å; L275-Y462 WeakPolarHBondContact CD1-OH 3.1Å; L275-Y462 HydrophobicContact CD2-CD2 3.98Å; L275-Y462 HydrophobicContact CD2-CE1 4.35Å; L275-Y462 HydrophobicContact CD2-CE2 3.66Å; L275-Y462 HydrophobicContact CD2-CG 4.44Å; L275-Y462 HydrophobicContact CG-CD2 4.42Å; L275-Y462 HydrophobicContact CG-CE2 3.66Å; D458-Y462 WeakPolarHBondContact O-CD2 3.5Å; D458-Y462 PolarHBondContact O-N 2.91Å; L459-Y462 PolarHBondContact O-N 3.49Å; A460-Y462 PolarHBondContact O-N 3.48Å; Y462-K467 HydrophobicContact CD1-CB 4.26Å; Y462-K467 HydrophobicContact CD1-CD 3.16Å; Y462-K467 HydrophobicContact CD1-CG 4.32Å; Y462-K467 HydrophobicContact CE1-CD 3.5Å; Y462-K467 VanDerWaalsContact CE1-CD 3.5Å; Y462-K467 HydrophobicContact CG-CD 3.75Å; Y462-K467 VanDerWaalsContact O-CB 3.22Å; Y462-K467 WeakPolarHBondContact O-CB 3.19Å; Y462-K467 PolarHBondContact O-N 3Å; Y462-F468 HydrophobicContact CD2-CZ 4.27Å; Y462-F468 HydrophobicContact CG-CZ 4.2Å
463	H	96.7	Very high	94.5	Very high	5 Å²	5	47.8 Å²	47.8	2%	0.023	27%	0.269	C	S	.	.	H	α-helix	trans	-64.8	-52.3	170.5	-79.3	-72.8	0	0	0	110.7	E300 L459 A460 R461 L465 G466 F468 Y475 S479 A480 H483	E300-H463 IonicContact OE1-CD2 2.65Å; E300-H463 IonicContact OE1-CE1 3.25Å; E300-H463 PolarHBondContact OE1-CE1 3.31Å; E300-H463 IonicContact OE1-NE2 3.58Å; E300-H463 PolarHBondContact OE1-NE2 2.87Å; L459-H463 PolarHBondContact O-CD2 3.03Å; L459-H463 PolarHBondContact O-N 3.32Å; A460-H463 PolarHBondContact O-N 2.96Å; R461-H463 VanDerWaalsContact C-N 3.3Å; R461-H463 PolarHBondContact O-N 3.24Å; H463-L465 VanDerWaalsContact C-N 3.25Å; H463-L465 PolarHBondContact O-N 3.33Å; H463-G466 WeakPolarHBondContact O-CA 3.43Å; H463-G466 PolarHBondContact O-N 2.61Å; H463-F468 AromaticContact CE1-CD2 3.54Å; H463-F468 AromaticContact ND1-CD2 3.7Å; H463-F468 AromaticContact NE2-CD2 3.77Å; H463-F468 AromaticContact NE2-CE2 3.93Å; H463-Y475 HydrophobicContact CB-CD2 4.22Å; H463-Y475 WeakPolarHBondContact O-CB 3.13Å; H463-Y475 WeakPolarHBondContact O-CD2 3.43Å; H463-S479 WeakPolarHBondContact CE1-CB 3.45Å; H463-S479 VanDerWaalsContact NE2-CB 3.28Å; H463-S479 WeakPolarHBondContact NE2-CB 3.1Å; H463-A480 HydrophobicContact CB-CB 3.64Å; H463-H483 AromaticContact CD2-CD2 3.96Å
464	E	95.1	Very high	94.5	Very high	47 Å²	47	52.6 Å²	52.6	22%	0.22	30%	0.3	C	S	.	.	H	α-helix	trans	-52.5	-42.9	177.7	-171.6	-175.7	-149.1	0	0	112.8	A460 R461 G466 Y475 L510 L511 S512	A460-E464 PolarHBondContact O-N 2.77Å; R461-E464 PolarHBondContact O-N 2.86Å; E464-G466 PolarHBondContact O-N 2.93Å; E464-G466 VanDerWaalsContact O-N 3.08Å; E464-Y475 HydrophobicContact CG-CE1 4.47Å; E464-L510 WeakPolarHBondContact OE2-CD1 3.2Å; E464-L511 HydrophobicContact CB-CD2 3.85Å; E464-L511 VanDerWaalsContact CD-N 3.28Å; E464-L511 HydrophobicContact CG-CD2 4.17Å; E464-L511 WeakPolarHBondContact OE1-CA 3.34Å; E464-L511 PolarHBondContact OE1-N 3.29Å; E464-S512 PolarHBondContact OE1-N 3.28Å
465	L	94.3	Very high	94.5	Very high	133 Å²	133	52.3 Å²	52.3	70%	0.696	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-2	177.3	-69.8	172.5	0	0	0	114	R461 H463 K467	R461-L465 WeakPolarHBondContact O-CB 3.44Å; R461-L465 VanDerWaalsContact O-CG 3.24Å; R461-L465 WeakPolarHBondContact O-CG 3.48Å; R461-L465 PolarHBondContact O-N 3.02Å; H463-L465 VanDerWaalsContact C-N 3.25Å; H463-L465 PolarHBondContact O-N 3.33Å; L465-K467 PolarHBondContact O-N 2.82Å
466	G	93.7	Very high	94.4	Very high	22 Å²	22	54.5 Å²	54.5	23%	0.227	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	22.9	-176.8	0	0	0	0	0	113.4	H463 E464 F468 T469	H463-G466 WeakPolarHBondContact O-CA 3.43Å; H463-G466 PolarHBondContact O-N 2.61Å; E464-G466 PolarHBondContact O-N 2.93Å; E464-G466 VanDerWaalsContact O-N 3.08Å; G466-F468 PolarHBondContact O-N 2.95Å; G466-F468 VanDerWaalsContact O-N 3.14Å; G466-T469 WeakPolarHBondContact CA-OG1 3.47Å; G466-T469 PolarHBondContact O-N 3.17Å; G466-T469 PolarHBondContact O-OG1 2.98Å
467	K	93.6	Very high	94.2	Very high	97 Å²	97	57.3 Å²	57.3	42%	0.422	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-30.7	-174.4	-177.3	167.4	-173.6	164.5	0	113.1	L275 Y462 L465	L275-K467 HydrophobicContact CD2-CD 3.81Å; Y462-K467 HydrophobicContact CD1-CB 4.26Å; Y462-K467 HydrophobicContact CD1-CD 3.16Å; Y462-K467 HydrophobicContact CD1-CG 4.32Å; Y462-K467 HydrophobicContact CE1-CD 3.5Å; Y462-K467 VanDerWaalsContact CE1-CD 3.5Å; Y462-K467 HydrophobicContact CG-CD 3.75Å; Y462-K467 VanDerWaalsContact O-CB 3.22Å; Y462-K467 WeakPolarHBondContact O-CB 3.19Å; Y462-K467 PolarHBondContact O-N 3Å; L465-K467 PolarHBondContact O-N 2.82Å
468	F	92.1	Very high	94.1	Very high	45 Å²	45	59.8 Å²	59.8	20%	0.197	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-1.5	-174.1	-55.8	-44.3	0	0	0	113.6	L275 Y278 L459 Y462 H463 G466	L275-F468 HydrophobicContact CD2-CE1 3.99Å; L275-F468 HydrophobicContact CD2-CZ 4.15Å; Y278-F468 AromaticContact CD1-CD1 3.45Å; Y278-F468 HydrophobicContact CD1-CD1 3.45Å; Y278-F468 VanDerWaalsContact CD1-CD1 3.45Å; Y278-F468 HydrophobicContact CD1-CD2 4.45Å; Y278-F468 AromaticContact CD1-CE1 3.2Å; Y278-F468 HydrophobicContact CD1-CE1 3.2Å; Y278-F468 HydrophobicContact CD1-CE2 4.25Å; Y278-F468 HydrophobicContact CD1-CG 4.09Å; Y278-F468 AromaticContact CD1-CZ 3.64Å; Y278-F468 HydrophobicContact CD1-CZ 3.64Å; Y278-F468 HydrophobicContact CD2-CD1 4.33Å; Y278-F468 AromaticContact CD2-CD2 3.87Å; Y278-F468 HydrophobicContact CD2-CD2 3.87Å; Y278-F468 HydrophobicContact CD2-CE1 4.07Å; Y278-F468 AromaticContact CD2-CE2 3.56Å; Y278-F468 HydrophobicContact CD2-CE2 3.56Å; Y278-F468 HydrophobicContact CD2-CG 4.23Å; Y278-F468 AromaticContact CD2-CZ 3.67Å; Y278-F468 HydrophobicContact CD2-CZ 3.67Å; Y278-F468 HydrophobicContact CE1-CB 4.07Å; Y278-F468 AromaticContact CE1-CD1 3.13Å; Y278-F468 HydrophobicContact CE1-CD1 3.13Å; Y278-F468 HydrophobicContact CE1-CD2 4.15Å; Y278-F468 AromaticContact CE1-CE1 3.47Å; Y278-F468 HydrophobicContact CE1-CE1 3.47Å; Y278-F468 VanDerWaalsContact CE1-CE1 3.47Å; Y278-F468 HydrophobicContact CE1-CE2 4.4Å; Y278-F468 AromaticContact CE1-CG 3.51Å; Y278-F468 HydrophobicContact CE1-CG 3.51Å; Y278-F468 HydrophobicContact CE1-CZ 4.1Å; Y278-F468 HydrophobicContact CE2-CB 4.26Å; Y278-F468 HydrophobicContact CE2-CD1 4.09Å; Y278-F468 AromaticContact CE2-CD2 3.52Å; Y278-F468 HydrophobicContact CE2-CD2 3.52Å; Y278-F468 HydrophobicContact CE2-CE1 4.3Å; Y278-F468 AromaticContact CE2-CE2 3.75Å; Y278-F468 HydrophobicContact CE2-CE2 3.75Å; Y278-F468 AromaticContact CE2-CG 3.69Å; Y278-F468 HydrophobicContact CE2-CG 3.69Å; Y278-F468 HydrophobicContact CE2-CZ 4.13Å; Y278-F468 HydrophobicContact CG-CD1 4.06Å; Y278-F468 HydrophobicContact CG-CD2 4.34Å; Y278-F468 AromaticContact CG-CE1 3.55Å; Y278-F468 HydrophobicContact CG-CE1 3.55Å; Y278-F468 AromaticContact CG-CE2 3.85Å; Y278-F468 HydrophobicContact CG-CE2 3.85Å; Y278-F468 HydrophobicContact CG-CG 4.42Å; Y278-F468 AromaticContact CG-CZ 3.42Å; Y278-F468 HydrophobicContact CG-CZ 3.42Å; Y278-F468 VanDerWaalsContact CG-CZ 3.42Å; Y278-F468 AromaticContact CZ-CD1 3.51Å; Y278-F468 AromaticContact CZ-CD2 3.69Å; Y278-F468 AromaticContact CZ-CG 3.3Å; Y278-F468 WeakPolarHBondContact OH-CB 3.06Å; L459-F468 HydrophobicContact CD2-CE2 4.37Å; L459-F468 HydrophobicContact CD2-CZ 4.33Å; Y462-F468 HydrophobicContact CD2-CZ 4.27Å; Y462-F468 HydrophobicContact CG-CZ 4.2Å; H463-F468 AromaticContact CE1-CD2 3.54Å; H463-F468 AromaticContact ND1-CD2 3.7Å; H463-F468 AromaticContact NE2-CD2 3.77Å; H463-F468 AromaticContact NE2-CE2 3.93Å; G466-F468 PolarHBondContact O-N 2.95Å; G466-F468 VanDerWaalsContact O-N 3.14Å
469	T	90.9	Very high	94	Very high	46 Å²	46	59.5 Å²	59.5	28%	0.282	34%	0.338	S	S	.	.	S	Bend	trans	-109	161.5	176.9	52.7	0	0	0	0	110.4	G466	G466-T469 WeakPolarHBondContact CA-OG1 3.47Å; G466-T469 PolarHBondContact O-N 3.17Å; G466-T469 PolarHBondContact O-OG1 2.98Å
470	T	89.7	Confident	94	Very high	101 Å²	101	59.5 Å²	59.5	62%	0.62	34%	0.338	S	S	*	.			trans	-76.3	148.7	171.5	48.4	0	0	0	0	110	G472 V473	T470-G472 PolarHBondContact O-N 3.32Å; T470-V473 WeakPolarHBondContact O-CB 3.24Å; T470-V473 PolarHBondContact O-N 3.11Å; T470-V473 WeakPolarHBondContact OG1-CG2 3.44Å
471	E	89.3	Confident	93.9	Very high	206 Å²	206	61.9 Å²	61.9	96%	0.963	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	131.4	178.1	-164.2	174.5	-171.9	0	0	111.6	V473	E471-V473 VanDerWaalsContact C-N 3.33Å; E471-V473 PolarHBondContact O-N 3.13Å
472	G	89.4	Confident	93.9	Very high	82 Å²	82	60 Å²	60	85%	0.845	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-5.8	-177	0	0	0	0	0	115.9	T470	T470-G472 PolarHBondContact O-N 3.32Å
473	V	92.4	Very high	93.9	Very high	76 Å²	76	58.7 Å²	58.7	46%	0.461	34%	0.336	S	S	.	.	S	Bend	trans	-94.3	130.6	172.4	179.7	0	0	0	0	109.4	T470 E471	T470-V473 WeakPolarHBondContact O-CB 3.24Å; T470-V473 PolarHBondContact O-N 3.11Å; T470-V473 WeakPolarHBondContact OG1-CG2 3.44Å; E471-V473 VanDerWaalsContact C-N 3.33Å; E471-V473 PolarHBondContact O-N 3.13Å
474	P	92.6	Very high	93.9	Very high	101 Å²	101	58.4 Å²	58.4	66%	0.656	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-53.3	143.4	174.7	-24.8	33.6	0	0	0	111.4
475	Y	94.1	Very high	93.9	Very high	24 Å²	24	57.2 Å²	57.2	9%	0.094	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-72.8	163.9	178.5	70.8	-92.1	0	0	0	112	H463 E464 H477 A480 L511 D513	H463-Y475 HydrophobicContact CB-CD2 4.22Å; H463-Y475 WeakPolarHBondContact O-CB 3.13Å; H463-Y475 WeakPolarHBondContact O-CD2 3.43Å; E464-Y475 HydrophobicContact CG-CE1 4.47Å; Y475-H477 AromaticContact CE1-CE1 3.5Å; Y475-H477 AromaticContact CE1-ND1 3.94Å; Y475-H477 HydrophobicContact CE2-CB 4.46Å; Y475-H477 AromaticContact CE2-CE1 3.78Å; Y475-H477 AromaticContact CE2-CG 3.89Å; Y475-H477 AromaticContact CE2-ND1 3.33Å; Y475-H477 VanDerWaalsContact CE2-ND1 3.33Å; Y475-H477 WeakPolarHBondContact CE2-ND1 3.18Å; Y475-H477 AromaticContact CZ-CE1 3.21Å; Y475-H477 AromaticContact CZ-ND1 3.17Å; Y475-H477 PolarHBondContact O-N 2.64Å; Y475-H477 PolarHBondContact OH-CE1 2.61Å; Y475-H477 PolarHBondContact OH-ND1 2.83Å; Y475-A480 HydrophobicContact CD2-CB 4.23Å; Y475-A480 HydrophobicContact CE2-CB 3.83Å; Y475-L511 HydrophobicContact CE2-CD2 4.03Å; Y475-D513 WeakPolarHBondContact CE1-OD2 3.36Å; Y475-D513 PolarHBondContact OH-OD1 2.95Å
476	D	94.6	Very high	93.9	Very high	46 Å²	46	51 Å²	51	25%	0.246	30%	0.298	C	S	.	.			trans	-77.2	87.1	179.1	-175.8	-4	0	0	0	110.6	T299 A478 S479 A480	T299-D476 VanDerWaalsContact CB-OD2 3.22Å; T299-D476 WeakPolarHBondContact CB-OD2 3.33Å; T299-D476 PolarHBondContact OG1-OD2 2.85Å; D476-A478 PolarHBondContact O-N 3.36Å; D476-A478 WeakPolarHBondContact OD1-CB 3Å; D476-A478 PolarHBondContact OD1-N 3.21Å; D476-A478 VanDerWaalsContact OD1-N 3.11Å; D476-S479 PolarHBondContact O-N 3.33Å; D476-S479 VanDerWaalsContact O-N 3.14Å; D476-S479 PolarHBondContact OD1-N 2.81Å; D476-S479 VanDerWaalsContact OD1-N 3.1Å; D476-S479 WeakPolarHBondContact OD2-CB 3.1Å; D476-S479 PolarHBondContact OD2-OG 3.49Å; D476-A480 PolarHBondContact O-N 3.03Å
477	H	94.1	Very high	94	Very high	60 Å²	60	50 Å²	50	28%	0.278	29%	0.287	S	S	.	.	H	α-helix	trans	-54.4	-34.5	176.1	-67.2	-78.5	0	0	0	112.6	Y475 A480 W481 D513 F514	Y475-H477 AromaticContact CE1-CE1 3.5Å; Y475-H477 AromaticContact CE1-ND1 3.94Å; Y475-H477 HydrophobicContact CE2-CB 4.46Å; Y475-H477 AromaticContact CE2-CE1 3.78Å; Y475-H477 AromaticContact CE2-CG 3.89Å; Y475-H477 AromaticContact CE2-ND1 3.33Å; Y475-H477 VanDerWaalsContact CE2-ND1 3.33Å; Y475-H477 WeakPolarHBondContact CE2-ND1 3.18Å; Y475-H477 AromaticContact CZ-CE1 3.21Å; Y475-H477 AromaticContact CZ-ND1 3.17Å; Y475-H477 PolarHBondContact O-N 2.64Å; Y475-H477 PolarHBondContact OH-CE1 2.61Å; Y475-H477 PolarHBondContact OH-ND1 2.83Å; H477-A480 PolarHBondContact O-N 3.11Å; H477-W481 WeakPolarHBondContact O-CB 3.34Å; H477-W481 PolarHBondContact O-N 2.83Å; H477-D513 IonicContact CE1-OD1 2.68Å; H477-D513 IonicContact CE1-OD2 3.84Å; H477-D513 PolarHBondContact CE1-OD2 2.95Å; H477-F514 HydrophobicContact CB-CD2 4.1Å; H477-F514 HydrophobicContact CB-CE2 4.17Å; H477-F514 AromaticContact ND1-CD2 3.83Å
478	A	94.2	Very high	94.1	Very high	59 Å²	59	45.3 Å²	45.3	49%	0.488	27%	0.267	S	S	.	.	H	α-helix	trans	-68.3	-37.8	-179.3	0	0	0	0	0	111.7	D476 F482	D476-A478 PolarHBondContact O-N 3.36Å; D476-A478 WeakPolarHBondContact OD1-CB 3Å; D476-A478 PolarHBondContact OD1-N 3.21Å; D476-A478 VanDerWaalsContact OD1-N 3.11Å; A478-F482 VanDerWaalsContact O-CB 3.28Å; A478-F482 WeakPolarHBondContact O-CB 3.29Å; A478-F482 PolarHBondContact O-N 3.11Å
479	S	96.6	Very high	94.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-70.5	-42.4	172.6	-66.4	0	0	0	0	112.4	A297 T299 E300 H463 D476 W481 F482 H483	A297-S479 WeakPolarHBondContact CB-OG 3.45Å; T299-S479 PolarHBondContact OG1-OG 3.35Å; E300-S479 WeakPolarHBondContact CG-OG 3.5Å; H463-S479 WeakPolarHBondContact CE1-CB 3.45Å; H463-S479 VanDerWaalsContact NE2-CB 3.28Å; H463-S479 WeakPolarHBondContact NE2-CB 3.1Å; D476-S479 PolarHBondContact O-N 3.33Å; D476-S479 VanDerWaalsContact O-N 3.14Å; D476-S479 PolarHBondContact OD1-N 2.81Å; D476-S479 VanDerWaalsContact OD1-N 3.1Å; D476-S479 WeakPolarHBondContact OD2-CB 3.1Å; D476-S479 PolarHBondContact OD2-OG 3.49Å; S479-W481 VanDerWaalsContact C-N 3.33Å; S479-W481 PolarHBondContact O-N 2.89Å; S479-F482 PolarHBondContact O-N 3.38Å; S479-H483 PolarHBondContact O-CD2 2.66Å; S479-H483 PolarHBondContact O-N 2.73Å
480	A	96.9	Very high	93.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.9	-47.5	177.4	0	0	0	0	0	111.2	H463 Y475 D476 H477 H483 L484 L511	H463-A480 HydrophobicContact CB-CB 3.64Å; Y475-A480 HydrophobicContact CD2-CB 4.23Å; Y475-A480 HydrophobicContact CE2-CB 3.83Å; D476-A480 PolarHBondContact O-N 3.03Å; H477-A480 PolarHBondContact O-N 3.11Å; A480-H483 PolarHBondContact O-N 3Å; A480-L484 WeakPolarHBondContact O-CB 3.36Å; A480-L484 PolarHBondContact O-N 2.83Å; A480-L511 HydrophobicContact CB-CD1 4.16Å; A480-L511 HydrophobicContact CB-CD2 3.62Å
481	W	96	Very high	93.8	Very high	50 Å²	50	43.9 Å²	43.9	19%	0.189	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-50.4	174.7	-179.7	-99	0	0	0	112.2	H477 S479 H483 L484 T485 L499 I502 Y503 F514 I516	H477-W481 WeakPolarHBondContact O-CB 3.34Å; H477-W481 PolarHBondContact O-N 2.83Å; S479-W481 VanDerWaalsContact C-N 3.33Å; S479-W481 PolarHBondContact O-N 2.89Å; W481-H483 VanDerWaalsContact C-N 3.26Å; W481-H483 PolarHBondContact O-N 2.8Å; W481-L484 PolarHBondContact O-N 3.08Å; W481-L484 VanDerWaalsContact O-N 3.13Å; W481-T485 PolarHBondContact O-N 2.84Å; W481-T485 PolarHBondContact O-OG1 3.14Å; W481-T485 VanDerWaalsContact O-OG1 3.06Å; W481-L499 HydrophobicContact CE3-CD2 4.14Å; W481-L499 HydrophobicContact CH2-CD2 3.45Å; W481-L499 VanDerWaalsContact CH2-CD2 3.45Å; W481-L499 HydrophobicContact CZ2-CD2 4.02Å; W481-L499 HydrophobicContact CZ3-CD2 3.51Å; W481-I502 HydrophobicContact CE3-CD1 4.49Å; W481-I502 HydrophobicContact CH2-CG2 4.31Å; W481-I502 HydrophobicContact CZ3-CB 4.38Å; W481-I502 HydrophobicContact CZ3-CD1 3.85Å; W481-I502 HydrophobicContact CZ3-CG2 3.87Å; W481-Y503 HydrophobicContact CH2-CD2 4.32Å; W481-Y503 AromaticContact CH2-CE2 3.68Å; W481-Y503 HydrophobicContact CH2-CE2 3.68Å; W481-Y503 AromaticContact CH2-CZ 3.98Å; W481-Y503 AromaticContact CZ2-CE2 3.89Å; W481-Y503 HydrophobicContact CZ2-CE2 3.89Å; W481-Y503 AromaticContact CZ2-CZ 3.86Å; W481-F514 HydrophobicContact CD2-CE1 4.13Å; W481-F514 HydrophobicContact CD2-CZ 4.2Å; W481-F514 AromaticContact CE3-CD1 3.97Å; W481-F514 HydrophobicContact CE3-CD1 3.97Å; W481-F514 AromaticContact CE3-CE1 3.36Å; W481-F514 HydrophobicContact CE3-CE1 3.36Å; W481-F514 AromaticContact CE3-CZ 3.85Å; W481-F514 HydrophobicContact CE3-CZ 3.85Å; W481-F514 HydrophobicContact CH2-CE1 4.44Å; W481-F514 HydrophobicContact CZ3-CD1 4.11Å; W481-F514 AromaticContact CZ3-CE1 3.56Å; W481-F514 HydrophobicContact CZ3-CE1 3.56Å; W481-F514 HydrophobicContact CZ3-CZ 4.41Å; W481-I516 HydrophobicContact CH2-CD1 3.73Å; W481-I516 HydrophobicContact CH2-CG1 4.46Å; W481-I516 HydrophobicContact CZ2-CD1 4.36Å; W481-I516 HydrophobicContact CZ3-CD1 4.35Å
482	F	97.3	Very high	94	Very high	32 Å²	32	35 Å²	35	14%	0.14	22%	0.218	C	C	.	.	H	α-helix	trans	-52.9	-45.9	178.5	172.4	-92.5	0	0	0	111.9	D295 L296 A297 V425 A478 S479 A486	D295-F482 HydrophobicContact CB-CE1 4.24Å; D295-F482 HydrophobicContact CB-CZ 4.11Å; L296-F482 VanDerWaalsContact C-CE1 3.49Å; A297-F482 HydrophobicContact CB-CB 3.86Å; A297-F482 HydrophobicContact CB-CD1 3.67Å; A297-F482 HydrophobicContact CB-CE1 4.41Å; A297-F482 HydrophobicContact CB-CG 3.78Å; V425-F482 HydrophobicContact CB-CZ 4.5Å; V425-F482 HydrophobicContact CG1-CE2 4.41Å; V425-F482 HydrophobicContact CG2-CE2 4.05Å; V425-F482 HydrophobicContact CG2-CZ 3.97Å; A478-F482 VanDerWaalsContact O-CB 3.28Å; A478-F482 WeakPolarHBondContact O-CB 3.29Å; A478-F482 PolarHBondContact O-N 3.11Å; S479-F482 PolarHBondContact O-N 3.38Å; F482-A486 WeakPolarHBondContact O-CB 3.16Å; F482-A486 PolarHBondContact O-N 2.74Å
483	H	97.6	Very high	94.1	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-72.5	-36.4	179.7	-73.7	-47.7	0	0	0	113.3	D295 E300 H456 L459 A460 H463 S479 A480 W481 T485 A486 A487	D295-H483 PolarHBondContact O-CE1 3.44Å; E300-H483 VanDerWaalsContact CD-NE2 3.32Å; E300-H483 IonicContact OE1-CD2 3.73Å; E300-H483 IonicContact OE1-NE2 2.73Å; E300-H483 PolarHBondContact OE1-NE2 3.42Å; E300-H483 VanDerWaalsContact OE1-NE2 3.14Å; E300-H483 IonicContact OE2-CE1 3.39Å; E300-H483 IonicContact OE2-NE2 3.02Å; E300-H483 PolarHBondContact OE2-NE2 2.95Å; H456-H483 AromaticContact CE1-ND1 3.73Å; H456-H483 AromaticContact ND1-CE1 3.75Å; H456-H483 AromaticContact ND1-ND1 3.03Å; H456-H483 PolarHBondContact ND1-ND1 3.37Å; H456-H483 WeakPolarHBondContact O-CB 3.47Å; L459-H483 HydrophobicContact CB-CB 4.16Å; A460-H483 HydrophobicContact CB-CB 4.07Å; H463-H483 AromaticContact CD2-CD2 3.96Å; S479-H483 PolarHBondContact O-CD2 2.66Å; S479-H483 PolarHBondContact O-N 2.73Å; A480-H483 PolarHBondContact O-N 3Å; W481-H483 VanDerWaalsContact C-N 3.26Å; W481-H483 PolarHBondContact O-N 2.8Å; H483-T485 VanDerWaalsContact C-N 3.35Å; H483-A486 PolarHBondContact O-N 3.08Å; H483-A487 WeakPolarHBondContact O-CB 3.13Å; H483-A487 PolarHBondContact O-N 3.44Å
484	L	97.4	Very high	94.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.1	-45.1	172.6	-175.2	64.6	0	0	0	111.1	L457 A460 A480 W481 A487 A488 A495 T498 L499 I502 L510 L511	L457-L484 HydrophobicContact CD1-CD1 4.1Å; A460-L484 HydrophobicContact CB-CB 4.31Å; A480-L484 WeakPolarHBondContact O-CB 3.36Å; A480-L484 PolarHBondContact O-N 2.83Å; W481-L484 PolarHBondContact O-N 3.08Å; W481-L484 VanDerWaalsContact O-N 3.13Å; L484-A487 PolarHBondContact O-N 3Å; L484-A488 PolarHBondContact O-N 3.11Å; L484-A495 HydrophobicContact CD1-CB 3.8Å; L484-T498 HydrophobicContact CD1-CG2 4.35Å; L484-T498 HydrophobicContact CD2-CG2 3.82Å; L484-L499 HydrophobicContact CD2-CD2 3.64Å; L484-L499 HydrophobicContact CD2-CG 4.07Å; L484-L499 HydrophobicContact CG-CD2 3.84Å; L484-L499 HydrophobicContact CG-CG 3.98Å; L484-I502 HydrophobicContact CD2-CD1 3.83Å; L484-L510 HydrophobicContact CD1-CD2 3.77Å; L484-L511 HydrophobicContact CB-CD1 4.44Å; L484-L511 HydrophobicContact CD2-CD1 3.78Å
485	T	95.9	Very high	94.4	Very high	22 Å²	22	30.5 Å²	30.5	14%	0.135	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-42.9	174.5	-52	0	0	0	0	112.2	W481 H483 A487 A488 K489	W481-T485 PolarHBondContact O-N 2.84Å; W481-T485 PolarHBondContact O-OG1 3.14Å; W481-T485 VanDerWaalsContact O-OG1 3.06Å; H483-T485 VanDerWaalsContact C-N 3.35Å; T485-A487 VanDerWaalsContact C-N 3.34Å; T485-A488 PolarHBondContact O-N 3.07Å; T485-K489 HydrophobicContact CG2-CD 4.47Å; T485-K489 WeakPolarHBondContact O-CG 3.31Å; T485-K489 PolarHBondContact O-N 3.04Å
486	A	94.5	Very high	94.5	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.017	16%	0.157	C	C	.	.	H	α-helix	trans	-62.6	-41.3	176	0	0	0	0	0	111.8	L424 H456 F482 H483 A488 K489 C490	L424-A486 HydrophobicContact CD1-CB 4.14Å; L424-A486 WeakPolarHBondContact CD1-O 3.33Å; H456-A486 HydrophobicContact CB-CB 4.21Å; F482-A486 WeakPolarHBondContact O-CB 3.16Å; F482-A486 PolarHBondContact O-N 2.74Å; H483-A486 PolarHBondContact O-N 3.08Å; A486-A488 PolarHBondContact O-N 3.49Å; A486-K489 PolarHBondContact O-N 2.83Å; A486-C490 PolarHBondContact O-N 3.25Å
487	A	95.5	Very high	94.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.1	-41.5	175.8	0	0	0	0	0	112.4	G453 H456 L457 H483 L484 T485 C490 G491 S492 A495	G453-A487 VanDerWaalsContact O-CB 3.31Å; G453-A487 WeakPolarHBondContact O-CB 3.5Å; H456-A487 HydrophobicContact CB-CB 3.94Å; L457-A487 HydrophobicContact CB-CB 4Å; H483-A487 WeakPolarHBondContact O-CB 3.13Å; H483-A487 PolarHBondContact O-N 3.44Å; L484-A487 PolarHBondContact O-N 3Å; T485-A487 VanDerWaalsContact C-N 3.34Å; A487-C490 VanDerWaalsContact O-CB 3.31Å; A487-C490 WeakPolarHBondContact O-CB 3.29Å; A487-C490 PolarHBondContact O-N 2.99Å; A487-G491 PolarHBondContact O-N 3Å; A487-S492 VanDerWaalsContact O-CB 3.23Å; A487-S492 WeakPolarHBondContact O-CB 3.41Å; A487-S492 PolarHBondContact O-N 3.1Å; A487-A495 HydrophobicContact CB-CB 3.63Å
488	A	94.7	Very high	94.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.9	-42.3	175.7	0	0	0	0	0	112.2	L484 T485 A486 C490 G491 A495 V496 L499 Y531	L484-A488 PolarHBondContact O-N 3.11Å; T485-A488 PolarHBondContact O-N 3.07Å; A486-A488 PolarHBondContact O-N 3.49Å; A488-C490 PolarHBondContact O-N 3.09Å; A488-G491 PolarHBondContact O-N 2.89Å; A488-A495 HydrophobicContact CB-CB 4.02Å; A488-V496 HydrophobicContact CB-CG2 3.81Å; A488-L499 HydrophobicContact CB-CD1 3.34Å; A488-Y531 HydrophobicContact CB-CE1 4.28Å
489	K	91.5	Very high	94.8	Very high	128 Å²	128	23.2 Å²	23.2	56%	0.557	12%	0.118	S	C	*	.	H	α-helix	trans	-62.6	-23.9	173.5	-71.8	178.2	178.2	-174.9	0	113.6	T485 A486 G491	T485-K489 HydrophobicContact CG2-CD 4.47Å; T485-K489 WeakPolarHBondContact O-CG 3.31Å; T485-K489 PolarHBondContact O-N 3.04Å; A486-K489 PolarHBondContact O-N 2.83Å; K489-G491 VanDerWaalsContact C-N 3.29Å
490	C	88.5	Confident	94.8	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.027	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-1.2	171.7	-93.6	0	0	0	0	114.3	L424 N449 G453 A486 A487 A488	L424-C490 WeakPolarHBondContact CD1-SG 3.33Å; L424-C490 VanDerWaalsContact CD2-SG 3.59Å; N449-C490 CarbonylContact C-O 3.57Å; N449-C490 VanDerWaalsContact O-CB 3.28Å; N449-C490 WeakPolarHBondContact O-CB 3.25Å; N449-C490 PolarHBondContact O-SG 3.32Å; N449-C490 VanDerWaalsContact O-SG 3.38Å; G453-C490 PolarHBondContact N-SG 3.23Å; A486-C490 PolarHBondContact O-N 3.25Å; A487-C490 VanDerWaalsContact O-CB 3.31Å; A487-C490 WeakPolarHBondContact O-CB 3.29Å; A487-C490 PolarHBondContact O-N 2.99Å; A488-C490 PolarHBondContact O-N 3.09Å
491	G	87.7	Confident	94.7	Very high	29 Å²	29	25.3 Å²	25.3	30%	0.299	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	21.8	-178.6	0	0	0	0	0	114.3	A487 A488 K489 Q493 M538	A487-G491 PolarHBondContact O-N 3Å; A488-G491 PolarHBondContact O-N 2.89Å; K489-G491 VanDerWaalsContact C-N 3.29Å; G491-Q493 PolarHBondContact O-N 2.95Å; G491-M538 VanDerWaalsContact C-CE 3.48Å; G491-M538 WeakPolarHBondContact O-CE 3.27Å
492	S	92.8	Very high	94.7	Very high	21 Å²	21	23 Å²	23	15%	0.147	12%	0.118	C	C	.	.			trans	-72.2	110.6	171.2	178.4	0	0	0	0	110.5	A487 E494 A495 V496	A487-S492 VanDerWaalsContact O-CB 3.23Å; A487-S492 WeakPolarHBondContact O-CB 3.41Å; A487-S492 PolarHBondContact O-N 3.1Å; S492-E494 VanDerWaalsContact C-N 3.31Å; S492-E494 PolarHBondContact O-N 3.05Å; S492-A495 WeakPolarHBondContact O-CB 3.35Å; S492-A495 PolarHBondContact O-N 3.36Å; S492-A495 VanDerWaalsContact O-N 3.1Å; S492-V496 WeakPolarHBondContact O-CG2 3.45Å; S492-V496 PolarHBondContact O-N 2.98Å
493	Q	91.7	Very high	94.6	Very high	82 Å²	82	23.4 Å²	23.4	38%	0.383	12%	0.119	S	C	.	.	H	α-helix	trans	-56.9	-42.5	-178.6	-177.6	179.4	-13.4	0	0	112.7	G491 A495 V496 L497 M538 D540	G491-Q493 PolarHBondContact O-N 2.95Å; Q493-A495 VanDerWaalsContact C-N 3.33Å; Q493-A495 PolarHBondContact O-N 3.38Å; Q493-V496 PolarHBondContact O-N 2.81Å; Q493-L497 WeakPolarHBondContact O-CB 3.45Å; Q493-L497 PolarHBondContact O-N 3.06Å; Q493-M538 HydrophobicContact CB-SD 3.98Å; Q493-M538 HydrophobicContact CG-CB 4.2Å; Q493-M538 HydrophobicContact CG-SD 4.23Å; Q493-D540 PolarHBondContact NE2-OD1 2.63Å
494	E	94.4	Very high	94.4	Very high	82 Å²	82	23.5 Å²	23.5	38%	0.383	12%	0.12	S	C	.	.	H	α-helix	trans	-60.5	-43	176.7	-174.7	-175	156.1	0	0	111.6	L457 R461 S492 T498	L457-E494 HydrophobicContact CD2-CB 4.23Å; L457-E494 HydrophobicContact CD2-CG 4.44Å; L457-E494 WeakPolarHBondContact CD2-OE2 3.36Å; R461-E494 IonicContact CZ-OE1 3.9Å; R461-E494 IonicContact CZ-OE2 3.24Å; R461-E494 IonicContact NE-OE1 3.99Å; R461-E494 IonicContact NH2-OE1 3.77Å; R461-E494 PolarHBondContact NH2-OE1 3.44Å; R461-E494 IonicContact NH2-OE2 2.6Å; R461-E494 PolarHBondContact NH2-OE2 3.31Å; S492-E494 VanDerWaalsContact C-N 3.31Å; S492-E494 PolarHBondContact O-N 3.05Å; E494-T498 VanDerWaalsContact O-CB 3.29Å; E494-T498 WeakPolarHBondContact O-CB 3.36Å; E494-T498 PolarHBondContact O-N 2.71Å; E494-T498 PolarHBondContact O-OG1 3.39Å
495	A	96.4	Very high	94.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-67.1	-45	178.7	0	0	0	0	0	112	L457 L484 A487 A488 S492 Q493 T498 L499	L457-A495 HydrophobicContact CD1-CB 4.28Å; L484-A495 HydrophobicContact CD1-CB 3.8Å; A487-A495 HydrophobicContact CB-CB 3.63Å; A488-A495 HydrophobicContact CB-CB 4.02Å; S492-A495 WeakPolarHBondContact O-CB 3.35Å; S492-A495 PolarHBondContact O-N 3.36Å; S492-A495 VanDerWaalsContact O-N 3.1Å; Q493-A495 VanDerWaalsContact C-N 3.33Å; Q493-A495 PolarHBondContact O-N 3.38Å; A495-T498 PolarHBondContact O-N 2.67Å; A495-L499 WeakPolarHBondContact O-CG 3.48Å; A495-L499 PolarHBondContact O-N 3.36Å
496	V	96.5	Very high	94.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.2	-49.5	177	173.9	0	0	0	0	110.4	A488 S492 Q493 T498 L499 A500 Y531 Q534 A535 M538	A488-V496 HydrophobicContact CB-CG2 3.81Å; S492-V496 WeakPolarHBondContact O-CG2 3.45Å; S492-V496 PolarHBondContact O-N 2.98Å; Q493-V496 PolarHBondContact O-N 2.81Å; V496-T498 PolarHBondContact O-N 3.12Å; V496-L499 PolarHBondContact O-N 3.05Å; V496-A500 PolarHBondContact O-N 2.94Å; V496-Y531 HydrophobicContact CG1-CD1 4.31Å; V496-Y531 WeakPolarHBondContact CG1-O 3.39Å; V496-Q534 HydrophobicContact CG1-CB 3.82Å; V496-Q534 HydrophobicContact CG1-CG 3.93Å; V496-Q534 HydrophobicContact CG2-CG 4.45Å; V496-A535 HydrophobicContact CG1-CB 3.93Å; V496-M538 HydrophobicContact CB-SD 4.32Å; V496-M538 HydrophobicContact CG1-SD 4.46Å; V496-M538 HydrophobicContact CG2-CE 4.26Å; V496-M538 HydrophobicContact CG2-SD 4.12Å
497	L	95.7	Very high	94	Very high	24 Å²	24	32.1 Å²	32.1	13%	0.126	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-41	179.3	-177.6	66.2	0	0	0	112	Q493 A500 K501 A535 D540 W542 A543	Q493-L497 WeakPolarHBondContact O-CB 3.45Å; Q493-L497 PolarHBondContact O-N 3.06Å; L497-A500 PolarHBondContact O-N 3.19Å; L497-K501 HydrophobicContact CG-CD 4.34Å; L497-K501 WeakPolarHBondContact O-CG 3.4Å; L497-K501 PolarHBondContact O-N 3.42Å; L497-A535 HydrophobicContact CB-CB 4.43Å; L497-A535 HydrophobicContact CD1-CB 4.25Å; L497-D540 WeakPolarHBondContact CD2-OD1 3.23Å; L497-W542 HydrophobicContact CD1-CE3 3.75Å; L497-W542 HydrophobicContact CD1-CZ3 4.03Å; L497-A543 HydrophobicContact CD1-CB 4.34Å
498	T	96.8	Very high	93.9	Very high	12 Å²	12	33.3 Å²	33.3	7%	0.074	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-45.2	178.3	-58.8	0	0	0	0	110.8	L484 E494 A495 V496 K501 I502 H508 L510	L484-T498 HydrophobicContact CD1-CG2 4.35Å; L484-T498 HydrophobicContact CD2-CG2 3.82Å; E494-T498 VanDerWaalsContact O-CB 3.29Å; E494-T498 WeakPolarHBondContact O-CB 3.36Å; E494-T498 PolarHBondContact O-N 2.71Å; E494-T498 PolarHBondContact O-OG1 3.39Å; A495-T498 PolarHBondContact O-N 2.67Å; V496-T498 PolarHBondContact O-N 3.12Å; T498-K501 PolarHBondContact O-N 2.83Å; T498-I502 HydrophobicContact CG2-CD1 3.92Å; T498-I502 HydrophobicContact CG2-CG1 4.47Å; T498-I502 VanDerWaalsContact O-CG1 3.27Å; T498-I502 WeakPolarHBondContact O-CG1 3.42Å; T498-I502 PolarHBondContact O-N 3.3Å; T498-H508 HydrophobicContact CG2-CB 4.32Å; T498-L510 HydrophobicContact CG2-CB 4.16Å; T498-L510 WeakPolarHBondContact CG2-O 3.08Å
499	L	96.8	Very high	93.8	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-46.3	174.9	-69.7	172.1	0	0	0	111.9	W481 L484 A488 A495 V496 K501 I502 Y503 Y531	W481-L499 HydrophobicContact CE3-CD2 4.14Å; W481-L499 HydrophobicContact CH2-CD2 3.45Å; W481-L499 VanDerWaalsContact CH2-CD2 3.45Å; W481-L499 HydrophobicContact CZ2-CD2 4.02Å; W481-L499 HydrophobicContact CZ3-CD2 3.51Å; L484-L499 HydrophobicContact CD2-CD2 3.64Å; L484-L499 HydrophobicContact CD2-CG 4.07Å; L484-L499 HydrophobicContact CG-CD2 3.84Å; L484-L499 HydrophobicContact CG-CG 3.98Å; A488-L499 HydrophobicContact CB-CD1 3.34Å; A495-L499 WeakPolarHBondContact O-CG 3.48Å; A495-L499 PolarHBondContact O-N 3.36Å; V496-L499 PolarHBondContact O-N 3.05Å; L499-K501 VanDerWaalsContact C-N 3.27Å; L499-K501 PolarHBondContact O-N 2.92Å; L499-I502 PolarHBondContact O-N 2.86Å; L499-I502 VanDerWaalsContact O-N 3.15Å; L499-Y503 VanDerWaalsContact O-CD2 3.28Å; L499-Y503 WeakPolarHBondContact O-CD2 3.46Å; L499-Y503 PolarHBondContact O-N 3.42Å; L499-Y531 HydrophobicContact CB-CD1 4.46Å; L499-Y531 HydrophobicContact CB-CD2 4.05Å; L499-Y531 HydrophobicContact CB-CE2 4.29Å; L499-Y531 HydrophobicContact CB-CG 4.15Å; L499-Y531 HydrophobicContact CD1-CD1 4.4Å; L499-Y531 HydrophobicContact CD1-CE1 3.94Å; L499-Y531 HydrophobicContact CD1-CE2 4.31Å
500	A	96.1	Very high	93.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-54.8	-45.1	176.7	0	0	0	0	0	111.6	V496 L497 L504 M532	V496-A500 PolarHBondContact O-N 2.94Å; L497-A500 PolarHBondContact O-N 3.19Å; A500-L504 WeakPolarHBondContact O-CB 3.46Å; A500-L504 WeakPolarHBondContact O-CD1 3.5Å; A500-L504 WeakPolarHBondContact O-CG 3.49Å; A500-L504 PolarHBondContact O-N 3.18Å; A500-L504 VanDerWaalsContact O-N 3.07Å; A500-M532 HydrophobicContact CB-CB 4.06Å; A500-M532 HydrophobicContact CB-CE 4.01Å; A500-M532 HydrophobicContact CB-SD 4.1Å
501	K	95.6	Very high	94.1	Very high	44 Å²	44	36 Å²	36	19%	0.191	20%	0.196	C	C	.	.	H	α-helix	trans	-64.7	-43.9	177	-73.8	177.4	175.6	-177.1	0	112.3	L497 T498 L499 L504 G505 F506 H508 W542	L497-K501 HydrophobicContact CG-CD 4.34Å; L497-K501 WeakPolarHBondContact O-CG 3.4Å; L497-K501 PolarHBondContact O-N 3.42Å; T498-K501 PolarHBondContact O-N 2.83Å; L499-K501 VanDerWaalsContact C-N 3.27Å; L499-K501 PolarHBondContact O-N 2.92Å; K501-L504 PolarHBondContact O-N 2.86Å; K501-G505 PolarHBondContact O-N 3.39Å; K501-F506 HydrophobicContact CB-CB 3.87Å; K501-F506 HydrophobicContact CG-CB 3.93Å; K501-F506 PolarHBondContact O-N 3.03Å; K501-H508 HydrophobicContact CB-CB 4.1Å; K501-H508 HydrophobicContact CD-CB 4.26Å; K501-W542 HydrophobicContact CD-CH2 4.41Å; K501-W542 HydrophobicContact CD-CZ3 4.32Å; K501-W542 HydrophobicContact CG-CH2 3.83Å; K501-W542 HydrophobicContact CG-CZ3 3.78Å
502	I	95.6	Very high	94.3	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-59.5	-50.8	177.9	-68	165.6	0	0	0	110.7	W481 L484 T498 L499 L504 G505 H508 F514 I516	W481-I502 HydrophobicContact CE3-CD1 4.49Å; W481-I502 HydrophobicContact CH2-CG2 4.31Å; W481-I502 HydrophobicContact CZ3-CB 4.38Å; W481-I502 HydrophobicContact CZ3-CD1 3.85Å; W481-I502 HydrophobicContact CZ3-CG2 3.87Å; L484-I502 HydrophobicContact CD2-CD1 3.83Å; T498-I502 HydrophobicContact CG2-CD1 3.92Å; T498-I502 HydrophobicContact CG2-CG1 4.47Å; T498-I502 VanDerWaalsContact O-CG1 3.27Å; T498-I502 WeakPolarHBondContact O-CG1 3.42Å; T498-I502 PolarHBondContact O-N 3.3Å; L499-I502 PolarHBondContact O-N 2.86Å; L499-I502 VanDerWaalsContact O-N 3.15Å; I502-L504 VanDerWaalsContact C-N 3.34Å; I502-L504 PolarHBondContact O-N 2.99Å; I502-G505 PolarHBondContact O-N 3.2Å; I502-H508 WeakPolarHBondContact CG1-CD2 3.41Å; I502-H508 VanDerWaalsContact CG1-NE2 3.34Å; I502-H508 WeakPolarHBondContact CG1-NE2 3.23Å; I502-F514 HydrophobicContact CD1-CD1 4.39Å; I502-F514 HydrophobicContact CG2-CD1 3.91Å; I502-F514 HydrophobicContact CG2-CE1 4.12Å; I502-I516 HydrophobicContact CG2-CD1 3.68Å; I502-I516 HydrophobicContact CG2-CG1 3.69Å
503	Y	95.2	Very high	94.2	Very high	40 Å²	40	41.8 Å²	41.8	16%	0.157	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-39.4	-179.3	-85.6	-72.5	0	0	0	112.7	W481 L499 G505 I516 N524 A527 G528 Y531	W481-Y503 HydrophobicContact CH2-CD2 4.32Å; W481-Y503 AromaticContact CH2-CE2 3.68Å; W481-Y503 HydrophobicContact CH2-CE2 3.68Å; W481-Y503 AromaticContact CH2-CZ 3.98Å; W481-Y503 AromaticContact CZ2-CE2 3.89Å; W481-Y503 HydrophobicContact CZ2-CE2 3.89Å; W481-Y503 AromaticContact CZ2-CZ 3.86Å; L499-Y503 VanDerWaalsContact O-CD2 3.28Å; L499-Y503 WeakPolarHBondContact O-CD2 3.46Å; L499-Y503 PolarHBondContact O-N 3.42Å; Y503-G505 VanDerWaalsContact C-N 3.35Å; Y503-I516 HydrophobicContact CD1-CD1 3.4Å; Y503-I516 HydrophobicContact CD2-CD1 4.22Å; Y503-I516 HydrophobicContact CE1-CD1 3.47Å; Y503-I516 VanDerWaalsContact CE1-CD1 3.47Å; Y503-I516 HydrophobicContact CE2-CD1 4.26Å; Y503-I516 HydrophobicContact CG-CD1 3.8Å; Y503-N524 HydrophobicContact CD1-CB 4.21Å; Y503-A527 HydrophobicContact CD1-CB 4.02Å; Y503-A527 HydrophobicContact CE1-CB 3.92Å; Y503-A527 HydrophobicContact CE2-CB 4.49Å; Y503-A527 HydrophobicContact CG-CB 4.35Å; Y503-G528 VanDerWaalsContact CB-CA 3.43Å; Y503-Y531 AromaticContact CD2-CD2 3.93Å; Y503-Y531 HydrophobicContact CD2-CD2 3.93Å; Y503-Y531 HydrophobicContact CD2-CE2 4.11Å; Y503-Y531 HydrophobicContact CE2-CD2 4Å; Y503-Y531 AromaticContact CE2-CE2 3.68Å; Y503-Y531 HydrophobicContact CE2-CE2 3.68Å
504	L	93.9	Very high	94.2	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-89.3	2	-177.7	-65	166.1	0	0	0	114.2	A500 K501 I502 F506 I525 M529 M532 Y546 K556	A500-L504 WeakPolarHBondContact O-CB 3.46Å; A500-L504 WeakPolarHBondContact O-CD1 3.5Å; A500-L504 WeakPolarHBondContact O-CG 3.49Å; A500-L504 PolarHBondContact O-N 3.18Å; A500-L504 VanDerWaalsContact O-N 3.07Å; K501-L504 PolarHBondContact O-N 2.86Å; I502-L504 VanDerWaalsContact C-N 3.34Å; I502-L504 PolarHBondContact O-N 2.99Å; L504-F506 HydrophobicContact CB-CD2 3.68Å; L504-F506 HydrophobicContact CB-CE2 3.74Å; L504-F506 HydrophobicContact CD1-CE2 4.5Å; L504-I525 HydrophobicContact CD2-CG2 4.14Å; L504-M529 HydrophobicContact CD2-CG 4.38Å; L504-M532 HydrophobicContact CD1-CB 4.35Å; L504-M532 HydrophobicContact CD1-CE 3.34Å; L504-Y546 HydrophobicContact CD1-CE1 3.66Å; L504-K556 PolarHBondContact O-NZ 3.05Å; L504-K556 VanDerWaalsContact O-NZ 3.13Å
505	G	92.8	Very high	93.9	Very high	31 Å²	31	40.5 Å²	40.5	32%	0.32	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	27.9	177.1	0	0	0	0	0	115	K501 I502 Y503	K501-G505 PolarHBondContact O-N 3.39Å; I502-G505 PolarHBondContact O-N 3.2Å; Y503-G505 VanDerWaalsContact C-N 3.35Å
506	F	93.2	Very high	93.5	Very high	58 Å²	58	41.9 Å²	41.9	25%	0.254	23%	0.231	S	C	.	.			trans	-88.7	148.7	174.9	-72	-72.1	0	0	0	112.3	K501 L504 H508 W542 Y546	K501-F506 HydrophobicContact CB-CB 3.87Å; K501-F506 HydrophobicContact CG-CB 3.93Å; K501-F506 PolarHBondContact O-N 3.03Å; L504-F506 HydrophobicContact CB-CD2 3.68Å; L504-F506 HydrophobicContact CB-CE2 3.74Å; L504-F506 HydrophobicContact CD1-CE2 4.5Å; F506-H508 PolarHBondContact O-CD2 3.15Å; F506-H508 VanDerWaalsContact O-CD2 3.25Å; F506-H508 PolarHBondContact O-N 2.8Å; F506-W542 HydrophobicContact CB-CH2 4.28Å; F506-W542 HydrophobicContact CD1-CH2 4.24Å; F506-W542 HydrophobicContact CD1-CZ2 4.1Å; F506-W542 AromaticContact CD2-CH2 3.74Å; F506-W542 HydrophobicContact CD2-CH2 3.74Å; F506-W542 HydrophobicContact CD2-CZ2 4.4Å; F506-W542 HydrophobicContact CE1-CZ2 4.37Å; F506-W542 HydrophobicContact CE2-CH2 4.12Å; F506-W542 AromaticContact CG-CH2 3.82Å; F506-W542 HydrophobicContact CG-CH2 3.82Å; F506-W542 HydrophobicContact CG-CZ2 4.13Å; F506-Y546 AromaticContact CE2-CD2 3.8Å; F506-Y546 HydrophobicContact CE2-CD2 3.8Å; F506-Y546 AromaticContact CE2-CE2 3.35Å; F506-Y546 HydrophobicContact CE2-CE2 3.35Å; F506-Y546 AromaticContact CE2-CZ 3.92Å; F506-Y546 AromaticContact CZ-CD2 3.71Å; F506-Y546 HydrophobicContact CZ-CD2 3.71Å; F506-Y546 AromaticContact CZ-CE2 3.37Å; F506-Y546 HydrophobicContact CZ-CE2 3.37Å
507	P	93.4	Very high	93	Very high	116 Å²	116	50 Å²	50	75%	0.753	27%	0.269	S	S	*	.			trans	-57.6	136.2	167.3	-22.2	33.2	0	0	0	111.4
508	H	93.6	Very high	92.6	Very high	26 Å²	26	54.8 Å²	54.8	12%	0.12	30%	0.295	C	S	.	.			trans	-136.7	160.4	-179.8	48.9	55.4	0	0	0	109.7	T498 K501 I502 F506 L510 L511 S512 F514	T498-H508 HydrophobicContact CG2-CB 4.32Å; K501-H508 HydrophobicContact CB-CB 4.1Å; K501-H508 HydrophobicContact CD-CB 4.26Å; I502-H508 WeakPolarHBondContact CG1-CD2 3.41Å; I502-H508 VanDerWaalsContact CG1-NE2 3.34Å; I502-H508 WeakPolarHBondContact CG1-NE2 3.23Å; F506-H508 PolarHBondContact O-CD2 3.15Å; F506-H508 VanDerWaalsContact O-CD2 3.25Å; F506-H508 PolarHBondContact O-N 2.8Å; H508-L510 PolarHBondContact ND1-O 2.99Å; H508-L511 PolarHBondContact CE1-O 2.94Å; H508-S512 VanDerWaalsContact CE1-CA 3.45Å; H508-S512 WeakPolarHBondContact CE1-CA 3.09Å; H508-S512 WeakPolarHBondContact ND1-CA 3.33Å; H508-F514 PolarHBondContact CE1-O 3.28Å; H508-F514 PolarHBondContact NE2-O 2.59Å
509	E	91.3	Very high	91.9	Very high	182 Å²	182	57.2 Å²	57.2	85%	0.85	31%	0.305	S	S	*	.	S	Bend	trans	-88.2	-46.2	-175.8	-65.3	-174.5	176	0	0	112.1
510	L	93.7	Very high	91.5	Very high	6 Å²	6	63.4 Å²	63.4	3%	0.031	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	130.7	179.5	174.8	59.5	0	0	0	110.1	L457 R461 E464 L484 T498 H508 S512	L457-L510 HydrophobicContact CD1-CD2 3.41Å; L457-L510 VanDerWaalsContact CD1-CD2 3.41Å; R461-L510 HydrophobicContact CB-CD1 4.48Å; R461-L510 HydrophobicContact CG-CD1 3.71Å; R461-L510 HydrophobicContact CG-CD2 4.4Å; E464-L510 WeakPolarHBondContact OE2-CD1 3.2Å; L484-L510 HydrophobicContact CD1-CD2 3.77Å; T498-L510 HydrophobicContact CG2-CB 4.16Å; T498-L510 WeakPolarHBondContact CG2-O 3.08Å; H508-L510 PolarHBondContact ND1-O 2.99Å; L510-S512 VanDerWaalsContact C-N 3.32Å
511	L	93	Very high	91.3	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.005	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	40.9	-169.8	-51	-178.5	0	0	0	112	E464 Y475 A480 L484 H508 D513 F514	E464-L511 HydrophobicContact CB-CD2 3.85Å; E464-L511 VanDerWaalsContact CD-N 3.28Å; E464-L511 HydrophobicContact CG-CD2 4.17Å; E464-L511 WeakPolarHBondContact OE1-CA 3.34Å; E464-L511 PolarHBondContact OE1-N 3.29Å; Y475-L511 HydrophobicContact CE2-CD2 4.03Å; A480-L511 HydrophobicContact CB-CD1 4.16Å; A480-L511 HydrophobicContact CB-CD2 3.62Å; L484-L511 HydrophobicContact CB-CD1 4.44Å; L484-L511 HydrophobicContact CD2-CD1 3.78Å; H508-L511 PolarHBondContact CE1-O 2.94Å; L511-D513 PolarHBondContact O-N 3.39Å; L511-F514 HydrophobicContact CB-CB 3.83Å; L511-F514 WeakPolarHBondContact O-CA 3.1Å; L511-F514 VanDerWaalsContact O-CB 3.27Å; L511-F514 WeakPolarHBondContact O-CB 3.44Å; L511-F514 PolarHBondContact O-N 3.13Å
512	S	91.5	Very high	91.1	Very high	78 Å²	78	70.5 Å²	70.5	55%	0.545	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-25.4	-174.1	59.1	0	0	0	0	115.3	E464 H508 L510	E464-S512 PolarHBondContact OE1-N 3.28Å; H508-S512 VanDerWaalsContact CE1-CA 3.45Å; H508-S512 WeakPolarHBondContact CE1-CA 3.09Å; H508-S512 WeakPolarHBondContact ND1-CA 3.33Å; L510-S512 VanDerWaalsContact C-N 3.32Å
513	D	91.4	Very high	90.9	Very high	92 Å²	92	76.2 Å²	76.2	49%	0.492	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-6.5	177.4	64.6	-28.9	0	0	0	114.2	Y475 H477 L511	Y475-D513 WeakPolarHBondContact CE1-OD2 3.36Å; Y475-D513 PolarHBondContact OH-OD1 2.95Å; H477-D513 IonicContact CE1-OD1 2.68Å; H477-D513 IonicContact CE1-OD2 3.84Å; H477-D513 PolarHBondContact CE1-OD2 2.95Å; L511-D513 PolarHBondContact O-N 3.39Å
514	F	90.5	Very high	90.8	Very high	42 Å²	42	75.6 Å²	75.6	18%	0.184	41%	0.405	C	S	.	.			trans	-89.5	128.4	-179.5	-170.7	-91.8	0	0	0	112.1	H477 W481 I502 H508 L511 I516	H477-F514 HydrophobicContact CB-CD2 4.1Å; H477-F514 HydrophobicContact CB-CE2 4.17Å; H477-F514 AromaticContact ND1-CD2 3.83Å; W481-F514 HydrophobicContact CD2-CE1 4.13Å; W481-F514 HydrophobicContact CD2-CZ 4.2Å; W481-F514 AromaticContact CE3-CD1 3.97Å; W481-F514 HydrophobicContact CE3-CD1 3.97Å; W481-F514 AromaticContact CE3-CE1 3.36Å; W481-F514 HydrophobicContact CE3-CE1 3.36Å; W481-F514 AromaticContact CE3-CZ 3.85Å; W481-F514 HydrophobicContact CE3-CZ 3.85Å; W481-F514 HydrophobicContact CH2-CE1 4.44Å; W481-F514 HydrophobicContact CZ3-CD1 4.11Å; W481-F514 AromaticContact CZ3-CE1 3.56Å; W481-F514 HydrophobicContact CZ3-CE1 3.56Å; W481-F514 HydrophobicContact CZ3-CZ 4.41Å; I502-F514 HydrophobicContact CD1-CD1 4.39Å; I502-F514 HydrophobicContact CG2-CD1 3.91Å; I502-F514 HydrophobicContact CG2-CE1 4.12Å; H508-F514 PolarHBondContact CE1-O 3.28Å; H508-F514 PolarHBondContact NE2-O 2.59Å; L511-F514 HydrophobicContact CB-CB 3.83Å; L511-F514 WeakPolarHBondContact O-CA 3.1Å; L511-F514 VanDerWaalsContact O-CB 3.27Å; L511-F514 WeakPolarHBondContact O-CB 3.44Å; L511-F514 PolarHBondContact O-N 3.13Å; F514-I516 HydrophobicContact CE1-CG1 3.95Å
515	T	88.5	Confident	90.8	Very high	96 Å²	96	76.4 Å²	76.4	59%	0.589	41%	0.409	S	S	*	.			trans	-135.1	139.3	174.9	56.3	0	0	0	0	109.9
516	I	87.8	Confident	90.9	Very high	29 Å²	29	76 Å²	76	15%	0.149	40%	0.4	C	S	.	.			trans	-77.7	143.8	173	-65.5	173.3	0	0	0	109.5	W481 I502 Y503 F514 Q519	W481-I516 HydrophobicContact CH2-CD1 3.73Å; W481-I516 HydrophobicContact CH2-CG1 4.46Å; W481-I516 HydrophobicContact CZ2-CD1 4.36Å; W481-I516 HydrophobicContact CZ3-CD1 4.35Å; I502-I516 HydrophobicContact CG2-CD1 3.68Å; I502-I516 HydrophobicContact CG2-CG1 3.69Å; Y503-I516 HydrophobicContact CD1-CD1 3.4Å; Y503-I516 HydrophobicContact CD2-CD1 4.22Å; Y503-I516 HydrophobicContact CE1-CD1 3.47Å; Y503-I516 VanDerWaalsContact CE1-CD1 3.47Å; Y503-I516 HydrophobicContact CE2-CD1 4.26Å; Y503-I516 HydrophobicContact CG-CD1 3.8Å; F514-I516 HydrophobicContact CE1-CG1 3.95Å; I516-Q519 WeakPolarHBondContact O-CG 3.2Å
517	E	86.4	Confident	91	Very high	169 Å²	169	74.3 Å²	74.3	79%	0.79	40%	0.396	S	S	*	.	S	Bend	trans	-69.7	141.4	172.7	-63.2	-179.5	172.3	0	0	110	N524	E517-N524 PolarHBondContact O-ND2 3.28Å
518	D	87	Confident	91.1	Very high	126 Å²	126	68.8 Å²	68.8	67%	0.674	36%	0.36	S	S	*	.			trans	55.8	60.1	179.3	-55.5	-36.5	0	0	0	113.6	D520 D521 N524	D518-D520 PolarHBondContact O-N 3.01Å; D518-D520 VanDerWaalsContact O-N 3.12Å; D518-D521 HydrophobicContact CB-CB 4.12Å; D518-D521 WeakPolarHBondContact O-CB 3.44Å; D518-D521 PolarHBondContact O-N 3.46Å; D518-N524 PolarHBondContact O-ND2 3.34Å
519	Q	83.5	Confident	91.2	Very high	62 Å²	62	67.6 Å²	67.6	29%	0.29	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.7	179.2	-68.7	-179.8	-24.7	0	0	114.7	I516 D521	I516-Q519 WeakPolarHBondContact O-CG 3.2Å; Q519-D521 VanDerWaalsContact C-N 3.32Å
520	D	86.7	Confident	91.4	Very high	131 Å²	131	65.1 Å²	65.1	70%	0.701	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	2.2	176.2	-62.1	-42.9	0	0	0	112.4	D518	D518-D520 PolarHBondContact O-N 3.01Å; D518-D520 VanDerWaalsContact O-N 3.12Å
521	D	92.5	Very high	91.5	Very high	70 Å²	70	66.6 Å²	66.6	37%	0.374	35%	0.348	S	S	.	.			trans	-64.1	136.2	171.9	-174.4	-90	0	0	0	110.7	D518 Q519 D523 N524 I525	D518-D521 HydrophobicContact CB-CB 4.12Å; D518-D521 WeakPolarHBondContact O-CB 3.44Å; D518-D521 PolarHBondContact O-N 3.46Å; Q519-D521 VanDerWaalsContact C-N 3.32Å; D521-D523 VanDerWaalsContact C-N 3.31Å; D521-D523 PolarHBondContact O-N 2.98Å; D521-D523 WeakPolarHBondContact OD1-CB 3.38Å; D521-D523 PolarHBondContact OD1-N 3.39Å; D521-N524 HydrophobicContact CB-CB 4.34Å; D521-N524 PolarHBondContact O-N 2.87Å; D521-I525 WeakPolarHBondContact O-CG1 3.5Å; D521-I525 PolarHBondContact O-N 3.48Å
522	E	90.9	Very high	91.6	Very high	122 Å²	122	66.5 Å²	66.5	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-61.6	-37.7	-174.1	-68.3	-177.4	173	0	0	111.9	N524 I525 D526 C559	E522-N524 VanDerWaalsContact C-N 3.35Å; E522-N524 PolarHBondContact O-N 3.03Å; E522-I525 PolarHBondContact O-N 3.33Å; E522-D526 PolarHBondContact O-N 3.05Å; E522-C559 HydrophobicContact CB-CB 4.41Å
523	D	91.8	Very high	91.9	Very high	121 Å²	121	64.3 Å²	64.3	65%	0.647	33%	0.331	S	S	*	.	H	α-helix	trans	-67.4	-37.4	179.7	-66.6	-26.6	0	0	0	111.2	D521 D526 A527	D521-D523 VanDerWaalsContact C-N 3.31Å; D521-D523 PolarHBondContact O-N 2.98Å; D521-D523 WeakPolarHBondContact OD1-CB 3.38Å; D521-D523 PolarHBondContact OD1-N 3.39Å; D523-D526 PolarHBondContact O-N 3.31Å; D523-A527 WeakPolarHBondContact O-CB 3.31Å; D523-A527 PolarHBondContact O-N 3.5Å
524	N	93.4	Very high	92	Very high	28 Å²	28	63.6 Å²	63.6	15%	0.15	33%	0.325	C	S	.	.	H	α-helix	trans	-66.9	-40.8	175.6	-78.6	-30.8	0	0	0	111.5	Y503 E517 D518 D521 E522 G528	Y503-N524 HydrophobicContact CD1-CB 4.21Å; E517-N524 PolarHBondContact O-ND2 3.28Å; D518-N524 PolarHBondContact O-ND2 3.34Å; D521-N524 HydrophobicContact CB-CB 4.34Å; D521-N524 PolarHBondContact O-N 2.87Å; E522-N524 VanDerWaalsContact C-N 3.35Å; E522-N524 PolarHBondContact O-N 3.03Å; N524-G528 PolarHBondContact O-N 2.85Å
525	I	94.6	Very high	92.2	Very high	19 Å²	19	61.6 Å²	61.6	10%	0.097	32%	0.316	C	S	.	.	H	α-helix	trans	-65.1	-45.2	175.9	-63.8	169.9	0	0	0	110	L504 D521 E522 A527 G528 M529 K556 G558	L504-I525 HydrophobicContact CD2-CG2 4.14Å; D521-I525 WeakPolarHBondContact O-CG1 3.5Å; D521-I525 PolarHBondContact O-N 3.48Å; E522-I525 PolarHBondContact O-N 3.33Å; I525-A527 PolarHBondContact O-N 2.89Å; I525-G528 PolarHBondContact O-N 3.37Å; I525-M529 HydrophobicContact CG2-CG 4.15Å; I525-M529 WeakPolarHBondContact O-CB 3.46Å; I525-M529 VanDerWaalsContact O-CG 3.23Å; I525-M529 WeakPolarHBondContact O-CG 3.46Å; I525-M529 PolarHBondContact O-N 3.4Å; I525-K556 HydrophobicContact CG2-CB 4.43Å; I525-K556 WeakPolarHBondContact CG2-O 3.47Å; I525-G558 VanDerWaalsContact CG2-N 3.25Å
526	D	94.9	Very high	92.5	Very high	23 Å²	23	57 Å²	57	12%	0.123	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-46.8	178.1	-79.7	-44.3	0	0	0	111.8	E522 D523 G528 M529 E530 G558 C559	E522-D526 PolarHBondContact O-N 3.05Å; D523-D526 PolarHBondContact O-N 3.31Å; D526-G528 PolarHBondContact O-N 3.02Å; D526-M529 PolarHBondContact O-N 3.41Å; D526-E530 PolarHBondContact O-N 3.27Å; D526-G558 VanDerWaalsContact OD1-CA 3.27Å; D526-G558 WeakPolarHBondContact OD1-CA 3.41Å; D526-C559 PolarHBondContact OD1-N 2.79Å; D526-C559 PolarHBondContact OD2-N 2.85Å; D526-C559 PolarHBondContact OD2-SG 3.32Å
527	A	93.6	Very high	92.8	Very high	22 Å²	22	60.4 Å²	60.4	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-61	-43.8	174.9	0	0	0	0	0	112.2	Y503 D523 I525 M529 E530 Y531	Y503-A527 HydrophobicContact CD1-CB 4.02Å; Y503-A527 HydrophobicContact CE1-CB 3.92Å; Y503-A527 HydrophobicContact CE2-CB 4.49Å; Y503-A527 HydrophobicContact CG-CB 4.35Å; D523-A527 WeakPolarHBondContact O-CB 3.31Å; D523-A527 PolarHBondContact O-N 3.5Å; I525-A527 PolarHBondContact O-N 2.89Å; A527-M529 VanDerWaalsContact C-N 3.34Å; A527-M529 PolarHBondContact O-N 3.28Å; A527-E530 WeakPolarHBondContact O-CB 3.37Å; A527-E530 PolarHBondContact O-N 2.85Å; A527-Y531 WeakPolarHBondContact O-CD2 3.46Å; A527-Y531 PolarHBondContact O-N 3.46Å; A527-Y531 VanDerWaalsContact O-N 3.07Å
528	G	95.3	Very high	93	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-41.6	175.7	0	0	0	0	0	112.8	Y503 N524 I525 D526 Y531 M532	Y503-G528 VanDerWaalsContact CB-CA 3.43Å; N524-G528 PolarHBondContact O-N 2.85Å; I525-G528 PolarHBondContact O-N 3.37Å; D526-G528 PolarHBondContact O-N 3.02Å; G528-Y531 PolarHBondContact O-N 2.52Å; G528-M532 VanDerWaalsContact O-CB 3.22Å; G528-M532 WeakPolarHBondContact O-CB 3.38Å; G528-M532 PolarHBondContact O-N 3.33Å
529	M	95.9	Very high	93.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.9	-34	176.5	-75	-61.5	-65.8	0	0	112.6	L504 I525 D526 A527 T533 Y546 L547 K556 L557	L504-M529 HydrophobicContact CD2-CG 4.38Å; I525-M529 HydrophobicContact CG2-CG 4.15Å; I525-M529 WeakPolarHBondContact O-CB 3.46Å; I525-M529 VanDerWaalsContact O-CG 3.23Å; I525-M529 WeakPolarHBondContact O-CG 3.46Å; I525-M529 PolarHBondContact O-N 3.4Å; D526-M529 PolarHBondContact O-N 3.41Å; A527-M529 VanDerWaalsContact C-N 3.34Å; A527-M529 PolarHBondContact O-N 3.28Å; M529-T533 WeakPolarHBondContact O-CB 3.3Å; M529-T533 PolarHBondContact O-N 3.24Å; M529-T533 PolarHBondContact O-OG1 2.73Å; M529-Y546 HydrophobicContact SD-CE1 3.63Å; M529-L547 HydrophobicContact CE-CD2 3.44Å; M529-L547 VanDerWaalsContact CE-CD2 3.44Å; M529-L547 HydrophobicContact SD-CD2 4.22Å; M529-K556 VanDerWaalsContact SD-O 3.37Å; M529-L557 HydrophobicContact CE-CD2 3.58Å
530	E	95.4	Very high	93.4	Very high	130 Å²	130	49.2 Å²	49.2	61%	0.607	26%	0.261	S	S	*	.	H	α-helix	trans	-63	-54.5	172.6	-172.4	-175.2	175.9	0	0	111	D526 A527 M532 T533 Q534	D526-E530 PolarHBondContact O-N 3.27Å; A527-E530 WeakPolarHBondContact O-CB 3.37Å; A527-E530 PolarHBondContact O-N 2.85Å; E530-M532 VanDerWaalsContact C-N 3.29Å; E530-M532 PolarHBondContact O-N 2.89Å; E530-T533 WeakPolarHBondContact O-CB 3.45Å; E530-T533 PolarHBondContact O-N 2.76Å; E530-T533 VanDerWaalsContact O-N 3.15Å; E530-Q534 PolarHBondContact O-N 2.77Å
531	Y	96.6	Very high	93.5	Very high	37 Å²	37	44.2 Å²	44.2	15%	0.145	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-38.4	176.6	-75.5	-59.8	0	0	0	112.2	A488 V496 L499 Y503 A527 G528 T533 Q534 A535	A488-Y531 HydrophobicContact CB-CE1 4.28Å; V496-Y531 HydrophobicContact CG1-CD1 4.31Å; V496-Y531 WeakPolarHBondContact CG1-O 3.39Å; L499-Y531 HydrophobicContact CB-CD1 4.46Å; L499-Y531 HydrophobicContact CB-CD2 4.05Å; L499-Y531 HydrophobicContact CB-CE2 4.29Å; L499-Y531 HydrophobicContact CB-CG 4.15Å; L499-Y531 HydrophobicContact CD1-CD1 4.4Å; L499-Y531 HydrophobicContact CD1-CE1 3.94Å; L499-Y531 HydrophobicContact CD1-CE2 4.31Å; Y503-Y531 AromaticContact CD2-CD2 3.93Å; Y503-Y531 HydrophobicContact CD2-CD2 3.93Å; Y503-Y531 HydrophobicContact CD2-CE2 4.11Å; Y503-Y531 HydrophobicContact CE2-CD2 4Å; Y503-Y531 AromaticContact CE2-CE2 3.68Å; Y503-Y531 HydrophobicContact CE2-CE2 3.68Å; A527-Y531 WeakPolarHBondContact O-CD2 3.46Å; A527-Y531 PolarHBondContact O-N 3.46Å; A527-Y531 VanDerWaalsContact O-N 3.07Å; G528-Y531 PolarHBondContact O-N 2.52Å; Y531-T533 VanDerWaalsContact C-N 3.35Å; Y531-T533 PolarHBondContact O-N 3.04Å; Y531-Q534 WeakPolarHBondContact O-CB 3.01Å; Y531-Q534 PolarHBondContact O-N 2.87Å; Y531-A535 PolarHBondContact O-N 3.22Å
532	M	96.4	Very high	93.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.2	-41.6	176.5	-167	72.8	75.9	0	0	111.8	A500 L504 G528 E530 Q534 A535 A536 W542 A543 Y546 L547	A500-M532 HydrophobicContact CB-CB 4.06Å; A500-M532 HydrophobicContact CB-CE 4.01Å; A500-M532 HydrophobicContact CB-SD 4.1Å; L504-M532 HydrophobicContact CD1-CB 4.35Å; L504-M532 HydrophobicContact CD1-CE 3.34Å; G528-M532 VanDerWaalsContact O-CB 3.22Å; G528-M532 WeakPolarHBondContact O-CB 3.38Å; G528-M532 PolarHBondContact O-N 3.33Å; E530-M532 VanDerWaalsContact C-N 3.29Å; E530-M532 PolarHBondContact O-N 2.89Å; M532-Q534 VanDerWaalsContact C-N 3.31Å; M532-Q534 PolarHBondContact O-N 3.47Å; M532-A535 PolarHBondContact O-N 2.82Å; M532-A536 WeakPolarHBondContact O-CB 3.16Å; M532-A536 PolarHBondContact O-N 3.21Å; M532-W542 HydrophobicContact CE-CE3 4.38Å; M532-W542 HydrophobicContact CE-CH2 3.86Å; M532-W542 HydrophobicContact CE-CZ3 3.39Å; M532-W542 HydrophobicContact SD-CE3 4.07Å; M532-W542 HydrophobicContact SD-CZ3 3.61Å; M532-A543 HydrophobicContact CG-CB 4.14Å; M532-A543 HydrophobicContact SD-CB 3.61Å; M532-Y546 HydrophobicContact CE-CD1 3.5Å; M532-Y546 VanDerWaalsContact CE-CD1 3.5Å; M532-Y546 HydrophobicContact CE-CD2 4.45Å; M532-Y546 HydrophobicContact CE-CE1 3.72Å; M532-Y546 HydrophobicContact CE-CG 3.84Å; M532-Y546 HydrophobicContact CG-CD1 3.49Å; M532-Y546 VanDerWaalsContact CG-CD1 3.49Å; M532-Y546 HydrophobicContact CG-CE1 3.98Å; M532-Y546 HydrophobicContact CG-CG 4.41Å; M532-Y546 HydrophobicContact SD-CD1 3.93Å; M532-Y546 HydrophobicContact SD-CG 4.33Å; M532-L547 HydrophobicContact CB-CD2 4.22Å; M532-L547 HydrophobicContact CG-CD1 4.48Å; M532-L547 HydrophobicContact CG-CD2 3.94Å; M532-L547 HydrophobicContact CG-CG 3.96Å
533	T	96.1	Very high	93.6	Very high	32 Å²	32	38.6 Å²	38.6	20%	0.196	20%	0.201	C	C	.	.	H	α-helix	trans	-62.2	-41.1	174.3	-57.9	0	0	0	0	111	M529 E530 Y531 A536 N537 W571	M529-T533 WeakPolarHBondContact O-CB 3.3Å; M529-T533 PolarHBondContact O-N 3.24Å; M529-T533 PolarHBondContact O-OG1 2.73Å; E530-T533 WeakPolarHBondContact O-CB 3.45Å; E530-T533 PolarHBondContact O-N 2.76Å; E530-T533 VanDerWaalsContact O-N 3.15Å; Y531-T533 VanDerWaalsContact C-N 3.35Å; Y531-T533 PolarHBondContact O-N 3.04Å; T533-A536 PolarHBondContact O-N 2.7Å; T533-N537 WeakPolarHBondContact O-CB 3.44Å; T533-N537 VanDerWaalsContact O-CG 3.31Å; T533-N537 PolarHBondContact O-N 2.75Å; T533-N537 PolarHBondContact O-ND2 3.18Å; T533-W571 HydrophobicContact CG2-CH2 4.47Å; T533-W571 HydrophobicContact CG2-CZ2 4.16Å
534	Q	94.9	Very high	93.8	Very high	76 Å²	76	33.4 Å²	33.4	36%	0.355	17%	0.173	S	C	.	.	H	α-helix	trans	-62.1	-48	174.4	-171	179	33.9	0	0	111.8	V496 E530 Y531 M532 A536 N537 M538	V496-Q534 HydrophobicContact CG1-CB 3.82Å; V496-Q534 HydrophobicContact CG1-CG 3.93Å; V496-Q534 HydrophobicContact CG2-CG 4.45Å; E530-Q534 PolarHBondContact O-N 2.77Å; Y531-Q534 WeakPolarHBondContact O-CB 3.01Å; Y531-Q534 PolarHBondContact O-N 2.87Å; M532-Q534 VanDerWaalsContact C-N 3.31Å; M532-Q534 PolarHBondContact O-N 3.47Å; Q534-A536 VanDerWaalsContact C-N 3.34Å; Q534-A536 PolarHBondContact O-N 3.4Å; Q534-N537 PolarHBondContact O-N 2.81Å; Q534-M538 HydrophobicContact CG-SD 4.48Å; Q534-M538 WeakPolarHBondContact O-CG 3.12Å; Q534-M538 PolarHBondContact O-N 3.08Å
535	A	94.6	Very high	93.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59	-44.4	176.2	0	0	0	0	0	111.7	V496 L497 Y531 M532 N537 M538 G539 D540 A543	V496-A535 HydrophobicContact CG1-CB 3.93Å; L497-A535 HydrophobicContact CB-CB 4.43Å; L497-A535 HydrophobicContact CD1-CB 4.25Å; Y531-A535 PolarHBondContact O-N 3.22Å; M532-A535 PolarHBondContact O-N 2.82Å; A535-N537 VanDerWaalsContact C-N 3.32Å; A535-N537 PolarHBondContact O-N 3.19Å; A535-M538 WeakPolarHBondContact O-CA 3.39Å; A535-M538 WeakPolarHBondContact O-CB 3.39Å; A535-M538 PolarHBondContact O-N 2.85Å; A535-G539 PolarHBondContact O-N 3.02Å; A535-D540 HydrophobicContact CB-CB 4.11Å; A535-D540 WeakPolarHBondContact O-CB 3.41Å; A535-D540 PolarHBondContact O-N 3.14Å; A535-A543 HydrophobicContact CB-CB 3.68Å
536	A	94.3	Very high	93.7	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-38.3	177.5	0	0	0	0	0	112	M532 T533 Q534 M538 G539 A543 M544 L547 W571	M532-A536 WeakPolarHBondContact O-CB 3.16Å; M532-A536 PolarHBondContact O-N 3.21Å; T533-A536 PolarHBondContact O-N 2.7Å; Q534-A536 VanDerWaalsContact C-N 3.34Å; Q534-A536 PolarHBondContact O-N 3.4Å; A536-M538 VanDerWaalsContact C-N 3.28Å; A536-M538 PolarHBondContact O-N 3.25Å; A536-G539 PolarHBondContact O-N 3.19Å; A536-G539 VanDerWaalsContact O-N 3.13Å; A536-A543 HydrophobicContact CB-CB 3.89Å; A536-M544 HydrophobicContact CB-CB 4.37Å; A536-M544 HydrophobicContact CB-CG 3.77Å; A536-M544 WeakPolarHBondContact O-CE 3.3Å; A536-L547 HydrophobicContact CB-CD1 3.39Å; A536-W571 HydrophobicContact CB-CE3 4.03Å; A536-W571 HydrophobicContact CB-CH2 3.65Å; A536-W571 HydrophobicContact CB-CZ3 3.39Å
537	N	93	Very high	93.8	Very high	99 Å²	99	32.4 Å²	32.4	53%	0.529	17%	0.166	S	C	.	.	H	α-helix	trans	-69.1	-25.2	173.6	-74.2	-33.6	0	0	0	113.2	T533 Q534 A535 G539 W571 K574	T533-N537 WeakPolarHBondContact O-CB 3.44Å; T533-N537 VanDerWaalsContact O-CG 3.31Å; T533-N537 PolarHBondContact O-N 2.75Å; T533-N537 PolarHBondContact O-ND2 3.18Å; Q534-N537 PolarHBondContact O-N 2.81Å; A535-N537 VanDerWaalsContact C-N 3.32Å; A535-N537 PolarHBondContact O-N 3.19Å; N537-G539 PolarHBondContact O-N 3.46Å; N537-W571 VanDerWaalsContact OD1-CH2 3.31Å; N537-W571 WeakPolarHBondContact OD1-CH2 3.48Å; N537-K574 PolarHBondContact OD1-NZ 3.22Å
538	M	90.9	Very high	93.8	Very high	65 Å²	65	31.3 Å²	31.3	32%	0.32	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-0.4	170.9	-68.7	171.3	143.5	0	0	113.4	G491 Q493 V496 Q534 A535 A536	G491-M538 VanDerWaalsContact C-CE 3.48Å; G491-M538 WeakPolarHBondContact O-CE 3.27Å; Q493-M538 HydrophobicContact CB-SD 3.98Å; Q493-M538 HydrophobicContact CG-CB 4.2Å; Q493-M538 HydrophobicContact CG-SD 4.23Å; V496-M538 HydrophobicContact CB-SD 4.32Å; V496-M538 HydrophobicContact CG1-SD 4.46Å; V496-M538 HydrophobicContact CG2-CE 4.26Å; V496-M538 HydrophobicContact CG2-SD 4.12Å; Q534-M538 HydrophobicContact CG-SD 4.48Å; Q534-M538 WeakPolarHBondContact O-CG 3.12Å; Q534-M538 PolarHBondContact O-N 3.08Å; A535-M538 WeakPolarHBondContact O-CA 3.39Å; A535-M538 WeakPolarHBondContact O-CB 3.39Å; A535-M538 PolarHBondContact O-N 2.85Å; A536-M538 VanDerWaalsContact C-N 3.28Å; A536-M538 PolarHBondContact O-N 3.25Å
539	G	89.4	Confident	93.8	Very high	35 Å²	35	32.9 Å²	32.9	36%	0.361	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	92	7.5	-177.9	0	0	0	0	0	113.9	A535 A536 N537 R541	A535-G539 PolarHBondContact O-N 3.02Å; A536-G539 PolarHBondContact O-N 3.19Å; A536-G539 VanDerWaalsContact O-N 3.13Å; N537-G539 PolarHBondContact O-N 3.46Å; G539-R541 PolarHBondContact O-N 2.82Å
540	D	90.6	Very high	93.8	Very high	22 Å²	22	33.2 Å²	33.2	12%	0.118	17%	0.168	C	C	.	.			trans	-69	115	177.3	-167.9	91.1	0	0	0	111	Q493 L497 A535 W542 A543 M544	Q493-D540 PolarHBondContact NE2-OD1 2.63Å; L497-D540 WeakPolarHBondContact CD2-OD1 3.23Å; A535-D540 HydrophobicContact CB-CB 4.11Å; A535-D540 WeakPolarHBondContact O-CB 3.41Å; A535-D540 PolarHBondContact O-N 3.14Å; D540-W542 PolarHBondContact OD2-N 3.12Å; D540-W542 VanDerWaalsContact OD2-N 3.13Å; D540-A543 HydrophobicContact CB-CB 3.92Å; D540-A543 PolarHBondContact O-N 3.29Å; D540-A543 PolarHBondContact OD2-N 2.74Å; D540-M544 WeakPolarHBondContact O-CG 3.32Å; D540-M544 PolarHBondContact O-N 3.01Å
541	R	89.4	Confident	93.9	Very high	26 Å²	26	28 Å²	28	10%	0.098	14%	0.143	C	C	.	.	H	α-helix	trans	-67.9	-41.6	-173.8	-169.6	-174.8	158.4	133.7	0.9	112.5	G539 A543 M544 L545 L575 E580 D586 L587	G539-R541 PolarHBondContact O-N 2.82Å; R541-A543 VanDerWaalsContact C-N 3.29Å; R541-A543 PolarHBondContact O-N 3.02Å; R541-M544 PolarHBondContact O-N 3.49Å; R541-L545 WeakPolarHBondContact O-CB 3.4Å; R541-L545 PolarHBondContact O-N 3.02Å; R541-L575 HydrophobicContact CB-CD2 4.28Å; R541-L575 HydrophobicContact CG-CD2 3.33Å; R541-L575 WeakPolarHBondContact O-CD2 3.37Å; R541-E580 PolarHBondContact NH1-O 3.26Å; R541-D586 VanDerWaalsContact CD-OD2 3.3Å; R541-D586 WeakPolarHBondContact CD-OD2 3.49Å; R541-D586 VanDerWaalsContact CZ-CB 3.43Å; R541-D586 IonicContact NE-OD2 3.37Å; R541-D586 PolarHBondContact NE-OD2 3.27Å; R541-L587 PolarHBondContact NH2-O 3.28Å
542	W	90.9	Very high	93.7	Very high	74 Å²	74	27.9 Å²	27.9	28%	0.28	15%	0.147	S	C	.	.	H	α-helix	trans	-64.4	-40.4	179.6	-177.6	90.3	0	0	0	110.3	L497 K501 F506 M532 D540 L545 Y546	L497-W542 HydrophobicContact CD1-CE3 3.75Å; L497-W542 HydrophobicContact CD1-CZ3 4.03Å; K501-W542 HydrophobicContact CD-CH2 4.41Å; K501-W542 HydrophobicContact CD-CZ3 4.32Å; K501-W542 HydrophobicContact CG-CH2 3.83Å; K501-W542 HydrophobicContact CG-CZ3 3.78Å; F506-W542 HydrophobicContact CB-CH2 4.28Å; F506-W542 HydrophobicContact CD1-CH2 4.24Å; F506-W542 HydrophobicContact CD1-CZ2 4.1Å; F506-W542 AromaticContact CD2-CH2 3.74Å; F506-W542 HydrophobicContact CD2-CH2 3.74Å; F506-W542 HydrophobicContact CD2-CZ2 4.4Å; F506-W542 HydrophobicContact CE1-CZ2 4.37Å; F506-W542 HydrophobicContact CE2-CH2 4.12Å; F506-W542 AromaticContact CG-CH2 3.82Å; F506-W542 HydrophobicContact CG-CH2 3.82Å; F506-W542 HydrophobicContact CG-CZ2 4.13Å; M532-W542 HydrophobicContact CE-CE3 4.38Å; M532-W542 HydrophobicContact CE-CH2 3.86Å; M532-W542 HydrophobicContact CE-CZ3 3.39Å; M532-W542 HydrophobicContact SD-CE3 4.07Å; M532-W542 HydrophobicContact SD-CZ3 3.61Å; D540-W542 PolarHBondContact OD2-N 3.12Å; D540-W542 VanDerWaalsContact OD2-N 3.13Å; W542-L545 PolarHBondContact O-N 3.46Å; W542-Y546 WeakPolarHBondContact O-CB 3.19Å; W542-Y546 PolarHBondContact O-N 3.01Å
543	A	94.4	Very high	93.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.6	-44.8	175.1	0	0	0	0	0	112.6	L497 M532 A535 A536 D540 R541 L545 Y546 L547	L497-A543 HydrophobicContact CD1-CB 4.34Å; M532-A543 HydrophobicContact CG-CB 4.14Å; M532-A543 HydrophobicContact SD-CB 3.61Å; A535-A543 HydrophobicContact CB-CB 3.68Å; A536-A543 HydrophobicContact CB-CB 3.89Å; D540-A543 HydrophobicContact CB-CB 3.92Å; D540-A543 PolarHBondContact O-N 3.29Å; D540-A543 PolarHBondContact OD2-N 2.74Å; R541-A543 VanDerWaalsContact C-N 3.29Å; R541-A543 PolarHBondContact O-N 3.02Å; A543-L545 VanDerWaalsContact C-N 3.32Å; A543-L545 PolarHBondContact O-N 3.24Å; A543-Y546 PolarHBondContact O-N 2.6Å; A543-L547 VanDerWaalsContact O-CG 3.32Å; A543-L547 WeakPolarHBondContact O-CG 3.39Å; A543-L547 PolarHBondContact O-N 3.48Å
544	M	94.5	Very high	93.4	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.059	18%	0.184	C	C	.	.	H	α-helix	trans	-59	-43.7	175.2	-67.7	178.9	-173	0	0	111.9	A536 D540 R541 L547 A548 W571 K574 L575 V578	A536-M544 HydrophobicContact CB-CB 4.37Å; A536-M544 HydrophobicContact CB-CG 3.77Å; A536-M544 WeakPolarHBondContact O-CE 3.3Å; D540-M544 WeakPolarHBondContact O-CG 3.32Å; D540-M544 PolarHBondContact O-N 3.01Å; R541-M544 PolarHBondContact O-N 3.49Å; M544-L547 PolarHBondContact O-N 2.85Å; M544-A548 WeakPolarHBondContact O-CB 3.37Å; M544-A548 PolarHBondContact O-N 3.42Å; M544-W571 HydrophobicContact CB-CE3 4.16Å; M544-W571 HydrophobicContact CG-CE3 3.86Å; M544-W571 HydrophobicContact CG-CZ3 4.06Å; M544-K574 HydrophobicContact SD-CB 4.08Å; M544-L575 HydrophobicContact CB-CD1 4.21Å; M544-L575 HydrophobicContact CB-CD2 3.65Å; M544-L575 HydrophobicContact CB-CG 3.67Å; M544-L575 HydrophobicContact CG-CD2 4.42Å; M544-L575 HydrophobicContact SD-CD2 3.95Å; M544-L575 HydrophobicContact SD-CG 4.13Å; M544-V578 HydrophobicContact CE-CG2 4.2Å; M544-V578 HydrophobicContact SD-CG2 4.24Å
545	L	93.2	Very high	93.2	Very high	22 Å²	22	35.9 Å²	35.9	12%	0.115	19%	0.194	C	C	.	.	H	α-helix	trans	-64.5	-45.2	179.1	174	65.5	0	0	0	111.5	R541 W542 A543 L547 A548 D549 Y572 L575 L587	R541-L545 WeakPolarHBondContact O-CB 3.4Å; R541-L545 PolarHBondContact O-N 3.02Å; W542-L545 PolarHBondContact O-N 3.46Å; A543-L545 VanDerWaalsContact C-N 3.32Å; A543-L545 PolarHBondContact O-N 3.24Å; L545-L547 VanDerWaalsContact C-N 3.35Å; L545-L547 PolarHBondContact O-N 3.04Å; L545-A548 PolarHBondContact O-N 2.89Å; L545-D549 PolarHBondContact O-N 3.45Å; L545-Y572 HydrophobicContact CD1-CE1 4.29Å; L545-L575 HydrophobicContact CB-CD1 3.97Å; L545-L575 HydrophobicContact CD1-CD1 4.31Å; L545-L587 HydrophobicContact CD1-CD1 3.91Å; L545-L587 HydrophobicContact CD1-CD2 4.06Å; L545-L587 HydrophobicContact CD1-CG 4.45Å; L545-L587 HydrophobicContact CD2-CD1 3.58Å; L545-L587 HydrophobicContact CG-CD1 4.37Å
546	Y	94.6	Very high	93	Very high	27 Å²	27	39 Å²	39	11%	0.106	21%	0.207	C	C	.	.	H	α-helix	trans	-58.7	-47.4	177.1	171.3	-89.8	0	0	0	111.2	L504 F506 M529 M532 W542 A543 A548 D549 A550	L504-Y546 HydrophobicContact CD1-CE1 3.66Å; F506-Y546 AromaticContact CE2-CD2 3.8Å; F506-Y546 HydrophobicContact CE2-CD2 3.8Å; F506-Y546 AromaticContact CE2-CE2 3.35Å; F506-Y546 HydrophobicContact CE2-CE2 3.35Å; F506-Y546 AromaticContact CE2-CZ 3.92Å; F506-Y546 AromaticContact CZ-CD2 3.71Å; F506-Y546 HydrophobicContact CZ-CD2 3.71Å; F506-Y546 AromaticContact CZ-CE2 3.37Å; F506-Y546 HydrophobicContact CZ-CE2 3.37Å; M529-Y546 HydrophobicContact SD-CE1 3.63Å; M532-Y546 HydrophobicContact CE-CD1 3.5Å; M532-Y546 VanDerWaalsContact CE-CD1 3.5Å; M532-Y546 HydrophobicContact CE-CD2 4.45Å; M532-Y546 HydrophobicContact CE-CE1 3.72Å; M532-Y546 HydrophobicContact CE-CG 3.84Å; M532-Y546 HydrophobicContact CG-CD1 3.49Å; M532-Y546 VanDerWaalsContact CG-CD1 3.49Å; M532-Y546 HydrophobicContact CG-CE1 3.98Å; M532-Y546 HydrophobicContact CG-CG 4.41Å; M532-Y546 HydrophobicContact SD-CD1 3.93Å; M532-Y546 HydrophobicContact SD-CG 4.33Å; W542-Y546 WeakPolarHBondContact O-CB 3.19Å; W542-Y546 PolarHBondContact O-N 3.01Å; A543-Y546 PolarHBondContact O-N 2.6Å; Y546-A548 VanDerWaalsContact C-N 3.34Å; Y546-A548 PolarHBondContact O-N 3.34Å; Y546-D549 PolarHBondContact O-N 2.88Å; Y546-A550 HydrophobicContact CE1-CB 4.37Å; Y546-A550 WeakPolarHBondContact O-CB 3.46Å; Y546-A550 PolarHBondContact O-N 3.49Å
547	L	95.7	Very high	92.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.8	-43.6	177.8	-68.4	170.4	0	0	0	111.5	M529 M532 A536 A543 M544 L545 D549 A550 Y551 W571	M529-L547 HydrophobicContact CE-CD2 3.44Å; M529-L547 VanDerWaalsContact CE-CD2 3.44Å; M529-L547 HydrophobicContact SD-CD2 4.22Å; M532-L547 HydrophobicContact CB-CD2 4.22Å; M532-L547 HydrophobicContact CG-CD1 4.48Å; M532-L547 HydrophobicContact CG-CD2 3.94Å; M532-L547 HydrophobicContact CG-CG 3.96Å; A536-L547 HydrophobicContact CB-CD1 3.39Å; A543-L547 VanDerWaalsContact O-CG 3.32Å; A543-L547 WeakPolarHBondContact O-CG 3.39Å; A543-L547 PolarHBondContact O-N 3.48Å; M544-L547 PolarHBondContact O-N 2.85Å; L545-L547 VanDerWaalsContact C-N 3.35Å; L545-L547 PolarHBondContact O-N 3.04Å; L547-D549 VanDerWaalsContact C-N 3.33Å; L547-D549 PolarHBondContact O-N 3.14Å; L547-A550 PolarHBondContact O-N 2.84Å; L547-Y551 HydrophobicContact CB-CD2 4.49Å; L547-Y551 WeakPolarHBondContact O-CD2 3.24Å; L547-Y551 PolarHBondContact O-N 3.38Å; L547-W571 HydrophobicContact CB-CD2 4.24Å; L547-W571 HydrophobicContact CB-CG 4.04Å; L547-W571 HydrophobicContact CD1-CD2 4.05Å; L547-W571 HydrophobicContact CD1-CE3 4.37Å; L547-W571 HydrophobicContact CD1-CH2 3.98Å; L547-W571 HydrophobicContact CD1-CZ2 3.66Å; L547-W571 HydrophobicContact CD1-CZ3 4.35Å
548	A	95	Very high	92.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.8	-43.7	178	0	0	0	0	0	112.1	M544 L545 Y546 C552 A568 W571 Y572	M544-A548 WeakPolarHBondContact O-CB 3.37Å; M544-A548 PolarHBondContact O-N 3.42Å; L545-A548 PolarHBondContact O-N 2.89Å; Y546-A548 VanDerWaalsContact C-N 3.34Å; Y546-A548 PolarHBondContact O-N 3.34Å; A548-C552 WeakPolarHBondContact O-CB 3.36Å; A548-C552 PolarHBondContact O-N 3.43Å; A548-C552 VanDerWaalsContact O-N 3.1Å; A548-A568 WeakPolarHBondContact O-CB 3.46Å; A548-W571 HydrophobicContact CB-CB 3.76Å; A548-Y572 HydrophobicContact CB-CD1 3.72Å; A548-Y572 HydrophobicContact CB-CD2 3.92Å; A548-Y572 HydrophobicContact CB-CE1 3.55Å; A548-Y572 HydrophobicContact CB-CE2 3.74Å; A548-Y572 HydrophobicContact CB-CG 3.89Å
549	D	94.6	Very high	92.6	Very high	33 Å²	33	36.2 Å²	36.2	18%	0.176	20%	0.204	C	C	.	.	H	α-helix	trans	-69.4	-39.6	176.8	-90.3	-10.4	0	0	0	112.6	L545 Y546 L547 C552 K553 Y572 K595	L545-D549 PolarHBondContact O-N 3.45Å; Y546-D549 PolarHBondContact O-N 2.88Å; L547-D549 VanDerWaalsContact C-N 3.33Å; L547-D549 PolarHBondContact O-N 3.14Å; D549-C552 PolarHBondContact O-N 2.91Å; D549-K553 WeakPolarHBondContact O-CB 3.34Å; D549-K553 WeakPolarHBondContact O-CG 3.35Å; D549-K553 PolarHBondContact O-N 3.32Å; D549-Y572 PolarHBondContact OD1-OH 3.27Å; D549-K595 IonicContact OD1-NZ 3.19Å; D549-K595 PolarHBondContact OD1-NZ 2.92Å; D549-K595 IonicContact OD2-NZ 3.77Å
550	A	95.4	Very high	92.3	Very high	7 Å²	7	42.2 Å²	42.2	6%	0.058	22%	0.222	C	C	.	.	H	α-helix	trans	-63.8	-48.9	178.3	0	0	0	0	0	111.2	Y546 L547 C552 K553 G554 D555 L557	Y546-A550 HydrophobicContact CE1-CB 4.37Å; Y546-A550 WeakPolarHBondContact O-CB 3.46Å; Y546-A550 PolarHBondContact O-N 3.49Å; L547-A550 PolarHBondContact O-N 2.84Å; A550-C552 VanDerWaalsContact C-N 3.3Å; A550-C552 PolarHBondContact O-N 2.77Å; A550-K553 PolarHBondContact O-N 2.94Å; A550-G554 WeakPolarHBondContact O-CA 3.38Å; A550-G554 PolarHBondContact O-N 3.16Å; A550-D555 PolarHBondContact O-N 2.88Å; A550-L557 HydrophobicContact CB-CD2 3.78Å
551	Y	96.6	Very high	92.3	Very high	21 Å²	21	44 Å²	44	8%	0.082	23%	0.229	C	C	.	.	H	α-helix	trans	-65.3	-31.8	176.2	-80.4	-64.8	0	0	0	113.3	L547 L557 K561 Q563 S564 E567 W571	L547-Y551 HydrophobicContact CB-CD2 4.49Å; L547-Y551 WeakPolarHBondContact O-CD2 3.24Å; L547-Y551 PolarHBondContact O-N 3.38Å; Y551-L557 HydrophobicContact CD1-CD1 4.14Å; Y551-L557 HydrophobicContact CD1-CD2 3.94Å; Y551-L557 HydrophobicContact CE1-CD2 4.09Å; Y551-L557 HydrophobicContact CG-CD2 4.22Å; Y551-K561 HydrophobicContact CE1-CB 4.3Å; Y551-K561 WeakPolarHBondContact OH-CD 3.5Å; Y551-Q563 WeakPolarHBondContact O-CA 3.39Å; Y551-Q563 VanDerWaalsContact O-CG 3.27Å; Y551-Q563 WeakPolarHBondContact O-CG 3.14Å; Y551-S564 PolarHBondContact O-N 2.81Å; Y551-S564 VanDerWaalsContact O-N 3.12Å; Y551-E567 HydrophobicContact CD1-CB 3.92Å; Y551-E567 HydrophobicContact CD2-CB 3.9Å; Y551-E567 HydrophobicContact CE1-CB 4.14Å; Y551-E567 HydrophobicContact CE1-CG 4.34Å; Y551-E567 HydrophobicContact CE2-CB 4.13Å; Y551-E567 HydrophobicContact CG-CB 3.8Å; Y551-W571 AromaticContact CE2-NE1 3.89Å
552	C	94.1	Very high	92.5	Very high	34 Å²	34	46.7 Å²	46.7	23%	0.23	25%	0.252	C	S	.	.	H	α-helix	trans	-69.6	-45.2	174.7	-179.8	0	0	0	0	111.6	A548 D549 A550 Q563 F565 A568	A548-C552 WeakPolarHBondContact O-CB 3.36Å; A548-C552 PolarHBondContact O-N 3.43Å; A548-C552 VanDerWaalsContact O-N 3.1Å; D549-C552 PolarHBondContact O-N 2.91Å; A550-C552 VanDerWaalsContact C-N 3.3Å; A550-C552 PolarHBondContact O-N 2.77Å; C552-Q563 PolarHBondContact O-NE2 3.32Å; C552-F565 WeakPolarHBondContact O-CE1 3.43Å; C552-A568 HydrophobicContact CB-CB 4.11Å
553	K	93.4	Very high	92.7	Very high	137 Å²	137	46.6 Å²	46.6	60%	0.596	26%	0.255	S	S	*	.	H	α-helix	trans	-79.7	-25.2	-178.2	-68.6	170.3	-173.6	166	0	113.2	D549 A550 D555	D549-K553 WeakPolarHBondContact O-CB 3.34Å; D549-K553 WeakPolarHBondContact O-CG 3.35Å; D549-K553 PolarHBondContact O-N 3.32Å; A550-K553 PolarHBondContact O-N 2.94Å; K553-D555 VanDerWaalsContact C-N 3.27Å; K553-D555 HydrophobicContact CB-CB 4.14Å
554	G	93	Very high	92.7	Very high	37 Å²	37	46.8 Å²	46.8	38%	0.381	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	23.9	-170.7	0	0	0	0	0	113	A550	A550-G554 WeakPolarHBondContact O-CA 3.38Å; A550-G554 PolarHBondContact O-N 3.16Å
555	D	90.5	Very high	92.8	Very high	102 Å²	102	47.2 Å²	47.2	55%	0.545	26%	0.258	S	S	.	.			trans	-116.8	142.9	-173.7	-175.7	31.9	0	0	0	110.6	A550 K553 L557	A550-D555 PolarHBondContact O-N 2.88Å; K553-D555 VanDerWaalsContact C-N 3.27Å; K553-D555 HydrophobicContact CB-CB 4.14Å; D555-L557 VanDerWaalsContact C-N 3.33Å; D555-L557 PolarHBondContact O-N 3.04Å
556	K	88.8	Confident	92.9	Very high	66 Å²	66	47.4 Å²	47.4	29%	0.287	26%	0.262	S	S	.	.	S	Bend	trans	50.9	43.5	-174.9	-62.4	-166.3	168.3	-158.6	0	114.7	L504 I525 M529	L504-K556 PolarHBondContact O-NZ 3.05Å; L504-K556 VanDerWaalsContact O-NZ 3.13Å; I525-K556 HydrophobicContact CG2-CB 4.43Å; I525-K556 WeakPolarHBondContact CG2-O 3.47Å; M529-K556 VanDerWaalsContact SD-O 3.37Å
557	L	92.1	Very high	93	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.037	27%	0.268	C	S	.	.			trans	-96.2	-8.5	178.7	-70.5	176.5	0	0	0	114.5	M529 A550 Y551 D555 K561 S562	M529-L557 HydrophobicContact CE-CD2 3.58Å; A550-L557 HydrophobicContact CB-CD2 3.78Å; Y551-L557 HydrophobicContact CD1-CD1 4.14Å; Y551-L557 HydrophobicContact CD1-CD2 3.94Å; Y551-L557 HydrophobicContact CE1-CD2 4.09Å; Y551-L557 HydrophobicContact CG-CD2 4.22Å; D555-L557 VanDerWaalsContact C-N 3.33Å; D555-L557 PolarHBondContact O-N 3.04Å; L557-K561 HydrophobicContact CB-CB 4.05Å; L557-S562 WeakPolarHBondContact CD1-O 3.48Å
558	G	89.7	Confident	93	Very high	22 Å²	22	48.5 Å²	48.5	23%	0.227	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-163.8	-177.1	0	0	0	0	0	112.7	I525 D526	I525-G558 VanDerWaalsContact CG2-N 3.25Å; D526-G558 VanDerWaalsContact OD1-CA 3.27Å; D526-G558 WeakPolarHBondContact OD1-CA 3.41Å
559	C	88.8	Confident	93	Very high	77 Å²	77	49 Å²	49	52%	0.52	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-24.4	-175.5	74.5	0	0	0	0	113.2	E522 D526	E522-C559 HydrophobicContact CB-CB 4.41Å; D526-C559 PolarHBondContact OD1-N 2.79Å; D526-C559 PolarHBondContact OD2-N 2.85Å; D526-C559 PolarHBondContact OD2-SG 3.32Å
560	E	83.7	Confident	93.1	Very high	161 Å²	161	52.8 Å²	52.8	75%	0.752	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-26.5	-174	-61.3	-169.4	160.2	0	0	113.7
561	K	90	Very high	93.1	Very high	58 Å²	58	53 Å²	53	25%	0.252	29%	0.285	S	S	.	.			trans	-114.3	146.3	-170.8	-66.1	159.8	-179.3	161.6	0	111	Y551 L557	Y551-K561 HydrophobicContact CE1-CB 4.3Å; Y551-K561 WeakPolarHBondContact OH-CD 3.5Å; L557-K561 HydrophobicContact CB-CB 4.05Å
562	S	92.9	Very high	93	Very high	84 Å²	84	52.1 Å²	52.1	59%	0.587	28%	0.282	S	S	*	.			trans	-125.9	170.1	175.7	63	0	0	0	0	111.2	L557 S564	L557-S562 WeakPolarHBondContact CD1-O 3.48Å; S562-S564 PolarHBondContact O-N 2.75Å
563	Q	95.3	Very high	92.9	Very high	72 Å²	72	52.7 Å²	52.7	34%	0.336	28%	0.283	S	S	.	.			trans	-49.8	125.8	172.9	-168.2	-179	47.6	0	0	110.6	Y551 C552 F565 P605	Y551-Q563 WeakPolarHBondContact O-CA 3.39Å; Y551-Q563 VanDerWaalsContact O-CG 3.27Å; Y551-Q563 WeakPolarHBondContact O-CG 3.14Å; C552-Q563 PolarHBondContact O-NE2 3.32Å; Q563-F565 HydrophobicContact CG-CD1 4.17Å; Q563-F565 HydrophobicContact CG-CE1 3.82Å; Q563-P605 HydrophobicContact CB-CG 4.32Å; Q563-P605 HydrophobicContact CG-CG 4.16Å; Q563-P605 WeakPolarHBondContact O-CB 3.38Å
564	S	95.9	Very high	92.8	Very high	4 Å²	4	49.9 Å²	49.9	3%	0.028	27%	0.27	C	S	.	.			trans	-143.9	112.6	177.2	168.2	0	0	0	0	108.9	Y551 S562 A566 E567 A568 E606	Y551-S564 PolarHBondContact O-N 2.81Å; Y551-S564 VanDerWaalsContact O-N 3.12Å; S562-S564 PolarHBondContact O-N 2.75Å; S564-A566 PolarHBondContact O-N 2.99Å; S564-A566 PolarHBondContact OG-N 3.25Å; S564-E567 PolarHBondContact O-N 2.82Å; S564-E567 PolarHBondContact OG-N 2.65Å; S564-A568 PolarHBondContact O-N 3.35Å; S564-E606 WeakPolarHBondContact CB-OE2 3.43Å; S564-E606 PolarHBondContact OG-OE2 3.19Å
565	F	96.4	Very high	92.7	Very high	21 Å²	21	48.1 Å²	48.1	9%	0.092	25%	0.252	C	S	.	.	H	α-helix	trans	-73.2	-25.6	178.1	-71.3	7.3	0	0	0	110.9	C552 Q563 L569 L599 G603 P605 L607	C552-F565 WeakPolarHBondContact O-CE1 3.43Å; Q563-F565 HydrophobicContact CG-CD1 4.17Å; Q563-F565 HydrophobicContact CG-CE1 3.82Å; F565-L569 WeakPolarHBondContact O-CB 3.38Å; F565-L569 VanDerWaalsContact O-CG 3.3Å; F565-L569 WeakPolarHBondContact O-CG 3.47Å; F565-L569 PolarHBondContact O-N 2.73Å; F565-L599 HydrophobicContact CB-CD2 4.23Å; F565-L599 HydrophobicContact CD1-CD2 4.05Å; F565-L599 HydrophobicContact CD2-CD2 3.8Å; F565-L599 HydrophobicContact CE1-CD2 4.35Å; F565-L599 HydrophobicContact CE2-CD2 4.1Å; F565-L599 HydrophobicContact CG-CD2 3.78Å; F565-L599 HydrophobicContact CZ-CD2 4.38Å; F565-G603 WeakPolarHBondContact CE2-O 2.74Å; F565-P605 PolarHBondContact N-O 2.9Å; F565-L607 HydrophobicContact CB-CB 3.53Å; F565-L607 HydrophobicContact CB-CD2 3.78Å; F565-L607 HydrophobicContact CB-CG 4.31Å; F565-L607 HydrophobicContact CD2-CB 4.46Å; F565-L607 HydrophobicContact CD2-CD2 4.32Å
566	A	95	Very high	92.7	Very high	26 Å²	26	45.2 Å²	45.2	22%	0.215	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-45.7	172.9	0	0	0	0	0	111.8	S564 L569 K570 E606	S564-A566 PolarHBondContact O-N 2.99Å; S564-A566 PolarHBondContact OG-N 3.25Å; A566-L569 PolarHBondContact O-N 3.04Å; A566-K570 WeakPolarHBondContact O-CG 3.46Å; A566-K570 PolarHBondContact O-N 3.03Å; A566-E606 HydrophobicContact CB-CB 3.77Å
567	E	95.5	Very high	92.6	Very high	50 Å²	50	49.3 Å²	49.3	23%	0.234	26%	0.257	C	S	.	.	H	α-helix	trans	-66	-42.7	174.6	-76.1	-58.4	144.1	0	0	112.1	Y551 S564 L569 K570 W571	Y551-E567 HydrophobicContact CD1-CB 3.92Å; Y551-E567 HydrophobicContact CD2-CB 3.9Å; Y551-E567 HydrophobicContact CE1-CB 4.14Å; Y551-E567 HydrophobicContact CE1-CG 4.34Å; Y551-E567 HydrophobicContact CE2-CB 4.13Å; Y551-E567 HydrophobicContact CG-CB 3.8Å; S564-E567 PolarHBondContact O-N 2.82Å; S564-E567 PolarHBondContact OG-N 2.65Å; E567-L569 VanDerWaalsContact C-N 3.29Å; E567-L569 PolarHBondContact O-N 2.83Å; E567-K570 WeakPolarHBondContact O-CB 3.45Å; E567-K570 PolarHBondContact O-N 2.89Å; E567-K570 VanDerWaalsContact O-N 3.11Å; E567-K570 IonicContact OE1-NZ 2.81Å; E567-K570 PolarHBondContact OE1-NZ 3.11Å; E567-W571 PolarHBondContact O-N 3.08Å; E567-W571 VanDerWaalsContact O-N 3.16Å
568	A	96.1	Very high	92.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-55.3	-46.1	174.3	0	0	0	0	0	111.6	A548 C552 S564 K570 W571 Y572 L599	A548-A568 WeakPolarHBondContact O-CB 3.46Å; C552-A568 HydrophobicContact CB-CB 4.11Å; S564-A568 PolarHBondContact O-N 3.35Å; A568-K570 PolarHBondContact O-N 2.65Å; A568-W571 PolarHBondContact O-N 3.2Å; A568-Y572 HydrophobicContact CB-CE2 4.31Å; A568-Y572 WeakPolarHBondContact O-CD2 3.49Å; A568-Y572 PolarHBondContact O-N 2.87Å; A568-L599 HydrophobicContact CB-CD1 4.12Å
569	L	95.9	Very high	90.9	Very high	9 Å²	9	56 Å²	56	5%	0.047	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-38.9	176.2	-78.7	178.8	0	0	0	113.2	F565 A566 E567 W571 Y572 N573 I596 L599 Y600 L607	F565-L569 WeakPolarHBondContact O-CB 3.38Å; F565-L569 VanDerWaalsContact O-CG 3.3Å; F565-L569 WeakPolarHBondContact O-CG 3.47Å; F565-L569 PolarHBondContact O-N 2.73Å; A566-L569 PolarHBondContact O-N 3.04Å; E567-L569 VanDerWaalsContact C-N 3.29Å; E567-L569 PolarHBondContact O-N 2.83Å; L569-W571 VanDerWaalsContact C-N 3.32Å; L569-W571 PolarHBondContact O-N 3.27Å; L569-Y572 PolarHBondContact O-N 2.86Å; L569-N573 WeakPolarHBondContact O-CB 3.36Å; L569-N573 PolarHBondContact O-N 3.15Å; L569-N573 PolarHBondContact O-ND2 2.72Å; L569-I596 HydrophobicContact CD2-CB 4.19Å; L569-I596 HydrophobicContact CD2-CG1 4.1Å; L569-I596 HydrophobicContact CD2-CG2 3.72Å; L569-L599 HydrophobicContact CD2-CB 4.19Å; L569-L599 HydrophobicContact CD2-CD1 3.74Å; L569-L599 HydrophobicContact CG-CD1 3.92Å; L569-Y600 HydrophobicContact CD1-CE1 4.08Å; L569-Y600 HydrophobicContact CD1-CE2 4.19Å; L569-Y600 HydrophobicContact CD2-CE2 4.21Å; L569-L607 HydrophobicContact CD1-CD1 3.57Å; L569-L607 HydrophobicContact CD1-CD2 3.55Å; L569-L607 HydrophobicContact CD1-CG 4.19Å; L569-L607 HydrophobicContact CG-CD2 4.32Å
570	K	95.6	Very high	89.7	Confident	113 Å²	113	59.4 Å²	59.4	49%	0.491	31%	0.307	S	S	.	.	H	α-helix	trans	-58.6	-45.7	176.5	-74.1	168.9	-179	170.9	0	110.9	A566 E567 A568 N573 K574	A566-K570 WeakPolarHBondContact O-CG 3.46Å; A566-K570 PolarHBondContact O-N 3.03Å; E567-K570 WeakPolarHBondContact O-CB 3.45Å; E567-K570 PolarHBondContact O-N 2.89Å; E567-K570 VanDerWaalsContact O-N 3.11Å; E567-K570 IonicContact OE1-NZ 2.81Å; E567-K570 PolarHBondContact OE1-NZ 3.11Å; A568-K570 PolarHBondContact O-N 2.65Å; K570-N573 PolarHBondContact O-N 3.49Å; K570-K574 WeakPolarHBondContact O-CG 3.25Å; K570-K574 PolarHBondContact O-N 2.84Å
571	W	95	Very high	88.3	Confident	12 Å²	12	53.5 Å²	53.5	5%	0.045	28%	0.281	C	S	.	.	H	α-helix	trans	-70	-40.9	178.9	-68.9	112.5	0	0	0	113.2	T533 A536 N537 M544 L547 A548 Y551 E567 A568 L569 N573 K574 L575	T533-W571 HydrophobicContact CG2-CH2 4.47Å; T533-W571 HydrophobicContact CG2-CZ2 4.16Å; A536-W571 HydrophobicContact CB-CE3 4.03Å; A536-W571 HydrophobicContact CB-CH2 3.65Å; A536-W571 HydrophobicContact CB-CZ3 3.39Å; N537-W571 VanDerWaalsContact OD1-CH2 3.31Å; N537-W571 WeakPolarHBondContact OD1-CH2 3.48Å; M544-W571 HydrophobicContact CB-CE3 4.16Å; M544-W571 HydrophobicContact CG-CE3 3.86Å; M544-W571 HydrophobicContact CG-CZ3 4.06Å; L547-W571 HydrophobicContact CB-CD2 4.24Å; L547-W571 HydrophobicContact CB-CG 4.04Å; L547-W571 HydrophobicContact CD1-CD2 4.05Å; L547-W571 HydrophobicContact CD1-CE3 4.37Å; L547-W571 HydrophobicContact CD1-CH2 3.98Å; L547-W571 HydrophobicContact CD1-CZ2 3.66Å; L547-W571 HydrophobicContact CD1-CZ3 4.35Å; A548-W571 HydrophobicContact CB-CB 3.76Å; Y551-W571 AromaticContact CE2-NE1 3.89Å; E567-W571 PolarHBondContact O-N 3.08Å; E567-W571 VanDerWaalsContact O-N 3.16Å; A568-W571 PolarHBondContact O-N 3.2Å; L569-W571 VanDerWaalsContact C-N 3.32Å; L569-W571 PolarHBondContact O-N 3.27Å; W571-N573 VanDerWaalsContact C-N 3.31Å; W571-N573 PolarHBondContact O-N 3.12Å; W571-K574 HydrophobicContact CE3-CD 3.66Å; W571-K574 HydrophobicContact CZ3-CD 3.65Å; W571-K574 PolarHBondContact O-N 2.96Å; W571-L575 PolarHBondContact O-N 2.97Å
572	Y	94.5	Very high	86.6	Confident	2 Å²	2	56 Å²	56	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-61	-38.7	173	-74.9	-54	0	0	0	113	L545 A548 D549 A568 L569 L575 L576 L592 K595 I596 L599	L545-Y572 HydrophobicContact CD1-CE1 4.29Å; A548-Y572 HydrophobicContact CB-CD1 3.72Å; A548-Y572 HydrophobicContact CB-CD2 3.92Å; A548-Y572 HydrophobicContact CB-CE1 3.55Å; A548-Y572 HydrophobicContact CB-CE2 3.74Å; A548-Y572 HydrophobicContact CB-CG 3.89Å; D549-Y572 PolarHBondContact OD1-OH 3.27Å; A568-Y572 HydrophobicContact CB-CE2 4.31Å; A568-Y572 WeakPolarHBondContact O-CD2 3.49Å; A568-Y572 PolarHBondContact O-N 2.87Å; L569-Y572 PolarHBondContact O-N 2.86Å; Y572-L575 HydrophobicContact CD1-CD1 4.32Å; Y572-L575 WeakPolarHBondContact O-CB 3.24Å; Y572-L575 PolarHBondContact O-N 3.29Å; Y572-L576 PolarHBondContact O-N 3.33Å; Y572-L592 HydrophobicContact CD1-CD2 3.87Å; Y572-L592 HydrophobicContact CE1-CD2 4.27Å; Y572-K595 HydrophobicContact CE1-CB 4.2Å; Y572-K595 HydrophobicContact CE1-CD 3.67Å; Y572-K595 HydrophobicContact CE2-CB 4.43Å; Y572-K595 WeakPolarHBondContact OH-CD 3.44Å; Y572-K595 PolarHBondContact OH-NZ 2.89Å; Y572-I596 HydrophobicContact CG-CG1 4.26Å; Y572-L599 HydrophobicContact CD2-CD1 3.87Å; Y572-L599 HydrophobicContact CE2-CD1 3.8Å
573	N	93	Very high	84.6	Confident	47 Å²	47	56.7 Å²	56.7	25%	0.251	30%	0.295	S	S	.	.	H	α-helix	trans	-69.9	-42.2	175.8	-74.4	-57.5	0	0	0	111.7	L569 K570 W571 L575 L576 E577	L569-N573 WeakPolarHBondContact O-CB 3.36Å; L569-N573 PolarHBondContact O-N 3.15Å; L569-N573 PolarHBondContact O-ND2 2.72Å; K570-N573 PolarHBondContact O-N 3.49Å; W571-N573 VanDerWaalsContact C-N 3.31Å; W571-N573 PolarHBondContact O-N 3.12Å; N573-L575 VanDerWaalsContact C-N 3.25Å; N573-L575 PolarHBondContact O-N 2.7Å; N573-L576 WeakPolarHBondContact O-CB 3.5Å; N573-L576 PolarHBondContact O-N 3.39Å; N573-E577 PolarHBondContact O-N 2.99Å
574	K	91.9	Very high	82.4	Confident	77 Å²	77	60.3 Å²	60.3	34%	0.335	32%	0.315	S	S	.	.	H	α-helix	trans	-55.6	-40.9	172.3	-78.7	-177.8	175.3	-178	0	111.9	N537 M544 K570 W571 L576 E577 V578	N537-K574 PolarHBondContact OD1-NZ 3.22Å; M544-K574 HydrophobicContact SD-CB 4.08Å; K570-K574 WeakPolarHBondContact O-CG 3.25Å; K570-K574 PolarHBondContact O-N 2.84Å; W571-K574 HydrophobicContact CE3-CD 3.66Å; W571-K574 HydrophobicContact CZ3-CD 3.65Å; W571-K574 PolarHBondContact O-N 2.96Å; K574-L576 VanDerWaalsContact C-N 3.29Å; K574-L576 PolarHBondContact O-N 2.75Å; K574-E577 WeakPolarHBondContact O-CB 3.27Å; K574-E577 PolarHBondContact O-N 2.72Å; K574-E577 VanDerWaalsContact O-N 3.13Å; K574-V578 PolarHBondContact O-N 2.82Å
575	L	90.6	Very high	80.4	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-60.1	-35.6	174.8	-81.3	170.3	0	0	0	113.6	R541 M544 L545 W571 Y572 N573 E577 L592	R541-L575 HydrophobicContact CB-CD2 4.28Å; R541-L575 HydrophobicContact CG-CD2 3.33Å; R541-L575 WeakPolarHBondContact O-CD2 3.37Å; M544-L575 HydrophobicContact CB-CD1 4.21Å; M544-L575 HydrophobicContact CB-CD2 3.65Å; M544-L575 HydrophobicContact CB-CG 3.67Å; M544-L575 HydrophobicContact CG-CD2 4.42Å; M544-L575 HydrophobicContact SD-CD2 3.95Å; M544-L575 HydrophobicContact SD-CG 4.13Å; L545-L575 HydrophobicContact CB-CD1 3.97Å; L545-L575 HydrophobicContact CD1-CD1 4.31Å; W571-L575 PolarHBondContact O-N 2.97Å; Y572-L575 HydrophobicContact CD1-CD1 4.32Å; Y572-L575 WeakPolarHBondContact O-CB 3.24Å; Y572-L575 PolarHBondContact O-N 3.29Å; N573-L575 VanDerWaalsContact C-N 3.25Å; N573-L575 PolarHBondContact O-N 2.7Å; L575-E577 VanDerWaalsContact C-N 3.28Å; L575-E577 PolarHBondContact O-N 3.03Å; L575-L592 HydrophobicContact CB-CD1 4.11Å; L575-L592 HydrophobicContact CB-CD2 4.49Å; L575-L592 HydrophobicContact CD1-CD2 3.92Å
576	L	89.2	Confident	79	Confident	40 Å²	40	67 Å²	67	21%	0.209	36%	0.356	C	S	.	.	H	α-helix	trans	-73	-20.3	177.7	-70.5	170.7	0	0	0	113	Y572 N573 K574 K589 L592 F593 I596	Y572-L576 PolarHBondContact O-N 3.33Å; N573-L576 WeakPolarHBondContact O-CB 3.5Å; N573-L576 PolarHBondContact O-N 3.39Å; K574-L576 VanDerWaalsContact C-N 3.29Å; K574-L576 PolarHBondContact O-N 2.75Å; L576-K589 HydrophobicContact CD2-CG 4Å; L576-L592 HydrophobicContact CD2-CB 3.94Å; L576-L592 HydrophobicContact CD2-CD1 3.97Å; L576-L592 HydrophobicContact CG-CB 4.46Å; L576-L592 HydrophobicContact CG-CD1 4.45Å; L576-F593 HydrophobicContact CD1-CD1 3.79Å; L576-F593 HydrophobicContact CD1-CE1 3.51Å; L576-F593 HydrophobicContact CD1-CZ 4.44Å; L576-F593 HydrophobicContact CD2-CD1 4.17Å; L576-F593 HydrophobicContact CD2-CE1 3.86Å; L576-F593 HydrophobicContact CD2-CZ 4.1Å; L576-F593 HydrophobicContact CG-CE1 4.33Å; L576-I596 HydrophobicContact CD1-CD1 3.47Å; L576-I596 VanDerWaalsContact CD1-CD1 3.47Å
577	E	87.5	Confident	78	Confident	153 Å²	153	67.5 Å²	67.5	72%	0.715	36%	0.355	S	S	*	.	H	α-helix	trans	-81.2	-25.5	177	-65.8	174.7	179.8	0	0	112.6	N573 K574 L575 S579	N573-E577 PolarHBondContact O-N 2.99Å; K574-E577 WeakPolarHBondContact O-CB 3.27Å; K574-E577 PolarHBondContact O-N 2.72Å; K574-E577 VanDerWaalsContact O-N 3.13Å; L575-E577 VanDerWaalsContact C-N 3.28Å; L575-E577 PolarHBondContact O-N 3.03Å; E577-S579 PolarHBondContact O-N 2.8Å
578	V	82.2	Confident	77.6	Confident	44 Å²	44	65.3 Å²	65.3	27%	0.267	35%	0.345	S	S	.	.	S	Bend	trans	-69.4	118.9	178.3	-176.9	0	0	0	0	109.6	M544 K574 E580	M544-V578 HydrophobicContact CE-CG2 4.2Å; M544-V578 HydrophobicContact SD-CG2 4.24Å; K574-V578 PolarHBondContact O-N 2.82Å; V578-E580 VanDerWaalsContact C-N 3.26Å; V578-E580 PolarHBondContact O-N 2.74Å
579	S	64.7	Low	77.2	Confident	125 Å²	125	69.7 Å²	69.7	87%	0.874	36%	0.364	S	S	*	.	S	Bend	trans	-66	-19.9	-167.9	-58.3	0	0	0	0	115.3	E577 V581	E577-S579 PolarHBondContact O-N 2.8Å; S579-V581 PolarHBondContact O-N 2.69Å
580	E	62.9	Low	77	Confident	148 Å²	148	69.3 Å²	69.3	69%	0.692	36%	0.362	S	S	*	.			trans	-93.5	59.3	-175.4	-64.3	-172.8	170.2	0	0	112.8	R541 V578 N582	R541-E580 PolarHBondContact NH1-O 3.26Å; V578-E580 VanDerWaalsContact C-N 3.26Å; V578-E580 PolarHBondContact O-N 2.74Å; E580-N582 PolarHBondContact O-N 3.49Å
581	V	54.6	Low	76.9	Confident	37 Å²	37	67.1 Å²	67.1	22%	0.224	35%	0.354	C	S	.	.			trans	-80.6	71.9	166.9	-166.7	0	0	0	0	110	S579 K589	S579-V581 PolarHBondContact O-N 2.69Å; V581-K589 HydrophobicContact CG1-CB 4.03Å
582	N	53.5	Low	76.7	Confident	112 Å²	112	66.6 Å²	66.6	60%	0.599	35%	0.352	S	S	*	.			trans	-90	128.9	169.5	-70.8	-29.6	0	0	0	109.6	E580 I584	E580-N582 PolarHBondContact O-N 3.49Å; N582-I584 PolarHBondContact O-N 2.89Å
583	D	51.8	Low	76.7	Confident	97 Å²	97	67.7 Å²	67.7	52%	0.519	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	6.2	-171.7	-74.1	-52.3	0	0	0	116.7	A588	D583-A588 WeakPolarHBondContact OD1-CB 3.18Å
584	I	49.1	Very low	76.8	Confident	148 Å²	148	66 Å²	66	76%	0.759	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-27.2	-158.8	-57	178.9	0	0	0	113.2	N582	N582-I584 PolarHBondContact O-N 2.89Å
585	T	53.2	Low	77	Confident	121 Å²	121	64.9 Å²	64.9	74%	0.742	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.2	-12.4	-177.7	51.5	0	0	0	0	116.3
586	D	66.7	Low	77.2	Confident	45 Å²	45	64.9 Å²	64.9	24%	0.241	34%	0.344	C	S	.	.	S	Bend	trans	-125.7	164.4	-176.5	-65.5	-56.4	0	0	0	112	R541 A588	R541-D586 VanDerWaalsContact CD-OD2 3.3Å; R541-D586 WeakPolarHBondContact CD-OD2 3.49Å; R541-D586 VanDerWaalsContact CZ-CB 3.43Å; R541-D586 IonicContact NE-OD2 3.37Å; R541-D586 PolarHBondContact NE-OD2 3.27Å; D586-A588 PolarHBondContact O-N 2.68Å
587	L	75.7	Confident	77.6	Confident	37 Å²	37	63 Å²	63	19%	0.194	33%	0.334	C	S	.	.			trans	-47.8	126.1	179	-96.7	78.3	0	0	0	112.2	R541 L545 E591 L592 K595	R541-L587 PolarHBondContact NH2-O 3.28Å; L545-L587 HydrophobicContact CD1-CD1 3.91Å; L545-L587 HydrophobicContact CD1-CD2 4.06Å; L545-L587 HydrophobicContact CD1-CG 4.45Å; L545-L587 HydrophobicContact CD2-CD1 3.58Å; L545-L587 HydrophobicContact CG-CD1 4.37Å; L587-E591 WeakPolarHBondContact CA-OE2 3.47Å; L587-E591 HydrophobicContact CB-CB 4.34Å; L587-E591 HydrophobicContact CD2-CB 4.02Å; L587-E591 HydrophobicContact CG-CB 4.15Å; L587-L592 HydrophobicContact CB-CD2 4.1Å; L587-L592 HydrophobicContact CB-CG 4.2Å; L587-L592 HydrophobicContact CD2-CD2 4.15Å; L587-K595 HydrophobicContact CD2-CD 3.47Å; L587-K595 VanDerWaalsContact CD2-CD 3.47Å
588	A	86.2	Confident	78	Confident	4 Å²	4	61 Å²	61	3%	0.033	33%	0.325	C	S	.	.			trans	-66.4	157.2	178.4	0	0	0	0	0	111	D583 D586 H590 E591 L592	D583-A588 WeakPolarHBondContact OD1-CB 3.18Å; D586-A588 PolarHBondContact O-N 2.68Å; A588-H590 WeakPolarHBondContact CB-NE2 3.29Å; A588-H590 PolarHBondContact O-N 2.85Å; A588-H590 VanDerWaalsContact O-N 3.11Å; A588-E591 HydrophobicContact CB-CG 4.34Å; A588-E591 PolarHBondContact N-OE2 2.85Å; A588-E591 WeakPolarHBondContact O-CA 3.46Å; A588-E591 WeakPolarHBondContact O-CB 3.18Å; A588-E591 PolarHBondContact O-N 2.8Å; A588-L592 PolarHBondContact O-N 2.9Å; A588-L592 VanDerWaalsContact O-N 3.17Å
589	K	88.7	Confident	78.6	Confident	91 Å²	91	59.1 Å²	59.1	40%	0.396	31%	0.314	S	S	.	.	H	α-helix	trans	-52.5	-39.5	-177.4	-166.5	-179.3	-178.7	-176.2	0	113	L576 V581 E591 L592 F593 A624	L576-K589 HydrophobicContact CD2-CG 4Å; V581-K589 HydrophobicContact CG1-CB 4.03Å; K589-E591 VanDerWaalsContact C-N 3.35Å; K589-L592 PolarHBondContact O-N 3.29Å; K589-F593 HydrophobicContact CD-CE2 4Å; K589-F593 HydrophobicContact CD-CZ 4.47Å; K589-F593 HydrophobicContact CG-CD2 4.14Å; K589-F593 HydrophobicContact CG-CE2 3.66Å; K589-F593 HydrophobicContact CG-CZ 4.23Å; K589-F593 VanDerWaalsContact O-CD2 3.3Å; K589-F593 WeakPolarHBondContact O-CD2 3.5Å; K589-F593 PolarHBondContact O-N 2.89Å; K589-F593 VanDerWaalsContact O-N 3.09Å; K589-A624 HydrophobicContact CB-CB 4.46Å; K589-A624 HydrophobicContact CD-CB 4.48Å; K589-A624 HydrophobicContact CG-CB 4.48Å
590	H	91.4	Very high	80.1	Confident	2 Å²	2	55 Å²	55	1%	0.009	28%	0.279	C	S	.	.	H	α-helix	trans	-67.6	-30.9	177	60.4	82.1	0	0	0	113.6	A588 A594 A621 A624 A625 L633 Y637	A588-H590 WeakPolarHBondContact CB-NE2 3.29Å; A588-H590 PolarHBondContact O-N 2.85Å; A588-H590 VanDerWaalsContact O-N 3.11Å; H590-A594 WeakPolarHBondContact O-CB 3.4Å; H590-A594 PolarHBondContact O-N 2.88Å; H590-A621 WeakPolarHBondContact CB-O 3.06Å; H590-A621 WeakPolarHBondContact O-CB 3.33Å; H590-A624 HydrophobicContact CB-CB 3.88Å; H590-A625 HydrophobicContact CB-CB 3.85Å; H590-L633 WeakPolarHBondContact CE1-CD2 3.47Å; H590-L633 WeakPolarHBondContact ND1-CD2 3.4Å; H590-Y637 HydrophobicContact CB-CE2 4.01Å; H590-Y637 AromaticContact ND1-CE2 3.74Å
591	E	91.9	Very high	81.6	Confident	67 Å²	67	49.9 Å²	49.9	31%	0.313	26%	0.256	S	S	.	.	H	α-helix	trans	-72.7	-37.1	176.9	-59.5	174.7	157.2	0	0	110.9	L587 A588 K589 A594 K595	L587-E591 WeakPolarHBondContact CA-OE2 3.47Å; L587-E591 HydrophobicContact CB-CB 4.34Å; L587-E591 HydrophobicContact CD2-CB 4.02Å; L587-E591 HydrophobicContact CG-CB 4.15Å; A588-E591 HydrophobicContact CB-CG 4.34Å; A588-E591 PolarHBondContact N-OE2 2.85Å; A588-E591 WeakPolarHBondContact O-CA 3.46Å; A588-E591 WeakPolarHBondContact O-CB 3.18Å; A588-E591 PolarHBondContact O-N 2.8Å; K589-E591 VanDerWaalsContact C-N 3.35Å; E591-A594 PolarHBondContact O-N 2.85Å; E591-K595 WeakPolarHBondContact O-CG 3.3Å; E591-K595 PolarHBondContact O-N 3Å
592	L	92	Very high	83.5	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-63.7	-47.5	173.1	-67.3	173.5	0	0	0	111.2	Y572 L575 L576 L587 A588 K589 A594 K595 I596	Y572-L592 HydrophobicContact CD1-CD2 3.87Å; Y572-L592 HydrophobicContact CE1-CD2 4.27Å; L575-L592 HydrophobicContact CB-CD1 4.11Å; L575-L592 HydrophobicContact CB-CD2 4.49Å; L575-L592 HydrophobicContact CD1-CD2 3.92Å; L576-L592 HydrophobicContact CD2-CB 3.94Å; L576-L592 HydrophobicContact CD2-CD1 3.97Å; L576-L592 HydrophobicContact CG-CB 4.46Å; L576-L592 HydrophobicContact CG-CD1 4.45Å; L587-L592 HydrophobicContact CB-CD2 4.1Å; L587-L592 HydrophobicContact CB-CG 4.2Å; L587-L592 HydrophobicContact CD2-CD2 4.15Å; A588-L592 PolarHBondContact O-N 2.9Å; A588-L592 VanDerWaalsContact O-N 3.17Å; K589-L592 PolarHBondContact O-N 3.29Å; L592-A594 VanDerWaalsContact C-N 3.3Å; L592-A594 PolarHBondContact O-N 3.26Å; L592-K595 PolarHBondContact O-N 2.77Å; L592-I596 WeakPolarHBondContact O-CG1 3.35Å; L592-I596 PolarHBondContact O-N 2.85Å
593	F	95	Very high	85.3	Confident	24 Å²	24	47.4 Å²	47.4	11%	0.105	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-40.5	174.9	-71.8	-43.9	0	0	0	112.3	L576 K589 I596 A597 Y617 K620 A621 A624	L576-F593 HydrophobicContact CD1-CD1 3.79Å; L576-F593 HydrophobicContact CD1-CE1 3.51Å; L576-F593 HydrophobicContact CD1-CZ 4.44Å; L576-F593 HydrophobicContact CD2-CD1 4.17Å; L576-F593 HydrophobicContact CD2-CE1 3.86Å; L576-F593 HydrophobicContact CD2-CZ 4.1Å; L576-F593 HydrophobicContact CG-CE1 4.33Å; K589-F593 HydrophobicContact CD-CE2 4Å; K589-F593 HydrophobicContact CD-CZ 4.47Å; K589-F593 HydrophobicContact CG-CD2 4.14Å; K589-F593 HydrophobicContact CG-CE2 3.66Å; K589-F593 HydrophobicContact CG-CZ 4.23Å; K589-F593 VanDerWaalsContact O-CD2 3.3Å; K589-F593 WeakPolarHBondContact O-CD2 3.5Å; K589-F593 PolarHBondContact O-N 2.89Å; K589-F593 VanDerWaalsContact O-N 3.09Å; F593-I596 PolarHBondContact O-N 2.91Å; F593-A597 WeakPolarHBondContact O-CB 3.27Å; F593-A597 PolarHBondContact O-N 3.32Å; F593-Y617 AromaticContact CD1-CD1 3.79Å; F593-Y617 HydrophobicContact CD1-CD1 3.79Å; F593-Y617 HydrophobicContact CD1-CE1 4.05Å; F593-Y617 HydrophobicContact CE1-CD1 4.43Å; F593-Y617 HydrophobicContact CE1-CE1 4.35Å; F593-K620 HydrophobicContact CD1-CB 4.24Å; F593-K620 HydrophobicContact CD2-CB 3.94Å; F593-K620 WeakPolarHBondContact CD2-O 3.21Å; F593-K620 HydrophobicContact CE1-CB 4.39Å; F593-K620 HydrophobicContact CE1-CD 4.33Å; F593-K620 HydrophobicContact CE2-CB 4.09Å; F593-K620 HydrophobicContact CG-CB 4.01Å; F593-K620 HydrophobicContact CZ-CB 4.32Å; F593-A621 HydrophobicContact CB-CB 3.68Å; F593-A624 HydrophobicContact CD2-CB 4.09Å; F593-A624 HydrophobicContact CE2-CB 4.16Å
594	A	95	Very high	87.2	Confident	12 Å²	12	44.4 Å²	44.4	10%	0.099	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-41.8	176.4	0	0	0	0	0	112.4	H590 E591 L592 A597 E598 A621 Y637	H590-A594 WeakPolarHBondContact O-CB 3.4Å; H590-A594 PolarHBondContact O-N 2.88Å; E591-A594 PolarHBondContact O-N 2.85Å; L592-A594 VanDerWaalsContact C-N 3.3Å; L592-A594 PolarHBondContact O-N 3.26Å; A594-A597 WeakPolarHBondContact O-CB 3.35Å; A594-A597 PolarHBondContact O-N 3Å; A594-E598 WeakPolarHBondContact O-CB 3.44Å; A594-E598 PolarHBondContact O-N 3.38Å; A594-A621 HydrophobicContact CB-CB 4.26Å; A594-Y637 HydrophobicContact CB-CD1 4.15Å; A594-Y637 HydrophobicContact CB-CE1 3.4Å; A594-Y637 VanDerWaalsContact CB-CE1 3.4Å
595	K	94.5	Very high	89.2	Confident	54 Å²	54	39.8 Å²	39.8	24%	0.235	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-42	174	-81.2	173.4	162.7	-77.3	0	112.3	D549 Y572 L587 E591 L592 E598 L599	D549-K595 IonicContact OD1-NZ 3.19Å; D549-K595 PolarHBondContact OD1-NZ 2.92Å; D549-K595 IonicContact OD2-NZ 3.77Å; Y572-K595 HydrophobicContact CE1-CB 4.2Å; Y572-K595 HydrophobicContact CE1-CD 3.67Å; Y572-K595 HydrophobicContact CE2-CB 4.43Å; Y572-K595 WeakPolarHBondContact OH-CD 3.44Å; Y572-K595 PolarHBondContact OH-NZ 2.89Å; L587-K595 HydrophobicContact CD2-CD 3.47Å; L587-K595 VanDerWaalsContact CD2-CD 3.47Å; E591-K595 WeakPolarHBondContact O-CG 3.3Å; E591-K595 PolarHBondContact O-N 3Å; L592-K595 PolarHBondContact O-N 2.77Å; K595-E598 PolarHBondContact O-N 2.87Å; K595-L599 WeakPolarHBondContact O-CG 3.24Å; K595-L599 PolarHBondContact O-N 2.96Å; K595-L599 VanDerWaalsContact O-N 3.13Å
596	I	96	Very high	91	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.3	-43.7	175	-67.9	167	0	0	0	110.8	L569 Y572 L576 L592 F593 E598 L599 Y600 Y617	L569-I596 HydrophobicContact CD2-CB 4.19Å; L569-I596 HydrophobicContact CD2-CG1 4.1Å; L569-I596 HydrophobicContact CD2-CG2 3.72Å; Y572-I596 HydrophobicContact CG-CG1 4.26Å; L576-I596 HydrophobicContact CD1-CD1 3.47Å; L576-I596 VanDerWaalsContact CD1-CD1 3.47Å; L592-I596 WeakPolarHBondContact O-CG1 3.35Å; L592-I596 PolarHBondContact O-N 2.85Å; F593-I596 PolarHBondContact O-N 2.91Å; I596-E598 PolarHBondContact O-N 3.08Å; I596-L599 PolarHBondContact O-N 3.46Å; I596-Y600 HydrophobicContact CG2-CD2 3.81Å; I596-Y600 HydrophobicContact CG2-CE2 3.68Å; I596-Y600 WeakPolarHBondContact O-CD2 3.31Å; I596-Y600 PolarHBondContact O-N 3.33Å; I596-Y600 VanDerWaalsContact O-N 3.14Å; I596-Y617 HydrophobicContact CB-CD1 4.1Å; I596-Y617 HydrophobicContact CB-CE1 4.32Å; I596-Y617 HydrophobicContact CB-CG 4.39Å; I596-Y617 HydrophobicContact CD1-CD1 4.47Å; I596-Y617 HydrophobicContact CD1-CE1 4.08Å; I596-Y617 HydrophobicContact CG2-CD1 3.59Å; I596-Y617 HydrophobicContact CG2-CD2 3.75Å; I596-Y617 HydrophobicContact CG2-CE1 3.59Å; I596-Y617 HydrophobicContact CG2-CE2 3.76Å; I596-Y617 HydrophobicContact CG2-CG 3.66Å
597	A	96.6	Very high	92.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61	-43.8	177.5	0	0	0	0	0	111.9	F593 A594 L599 Y600 M601 A614 Y618	F593-A597 WeakPolarHBondContact O-CB 3.27Å; F593-A597 PolarHBondContact O-N 3.32Å; A594-A597 WeakPolarHBondContact O-CB 3.35Å; A594-A597 PolarHBondContact O-N 3Å; A597-L599 VanDerWaalsContact C-N 3.33Å; A597-L599 PolarHBondContact O-N 3.22Å; A597-Y600 PolarHBondContact O-N 3.31Å; A597-M601 VanDerWaalsContact O-CB 3.3Å; A597-M601 WeakPolarHBondContact O-CB 3.31Å; A597-M601 PolarHBondContact O-N 3.36Å; A597-A614 WeakPolarHBondContact CB-O 3.34Å; A597-A614 WeakPolarHBondContact O-CB 3.48Å; A597-Y618 HydrophobicContact CB-CD1 3.49Å; A597-Y618 VanDerWaalsContact CB-CD1 3.49Å; A597-Y618 HydrophobicContact CB-CD2 3.71Å; A597-Y618 HydrophobicContact CB-CE1 3.51Å; A597-Y618 HydrophobicContact CB-CE2 3.73Å; A597-Y618 HydrophobicContact CB-CG 3.57Å
598	E	95.7	Very high	93.2	Very high	111 Å²	111	43.8 Å²	43.8	52%	0.519	24%	0.237	S	C	.	.	H	α-helix	trans	-60.3	-40.9	177	-174.1	175.2	-166.8	0	0	112.1	A594 K595 I596 M601 T602	A594-E598 WeakPolarHBondContact O-CB 3.44Å; A594-E598 PolarHBondContact O-N 3.38Å; K595-E598 PolarHBondContact O-N 2.87Å; I596-E598 PolarHBondContact O-N 3.08Å; E598-M601 PolarHBondContact O-N 3.23Å; E598-T602 WeakPolarHBondContact O-CB 3.42Å; E598-T602 WeakPolarHBondContact O-CG2 3.32Å; E598-T602 PolarHBondContact O-N 3.25Å; E598-T602 PolarHBondContact O-OG1 3.42Å
599	L	95.4	Very high	93.6	Very high	5 Å²	5	49 Å²	49	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-44.4	175	-74.8	175.8	0	0	0	112.4	F565 A568 L569 Y572 K595 I596 A597 M601 T602 G603 L607	F565-L599 HydrophobicContact CB-CD2 4.23Å; F565-L599 HydrophobicContact CD1-CD2 4.05Å; F565-L599 HydrophobicContact CD2-CD2 3.8Å; F565-L599 HydrophobicContact CE1-CD2 4.35Å; F565-L599 HydrophobicContact CE2-CD2 4.1Å; F565-L599 HydrophobicContact CG-CD2 3.78Å; F565-L599 HydrophobicContact CZ-CD2 4.38Å; A568-L599 HydrophobicContact CB-CD1 4.12Å; L569-L599 HydrophobicContact CD2-CB 4.19Å; L569-L599 HydrophobicContact CD2-CD1 3.74Å; L569-L599 HydrophobicContact CG-CD1 3.92Å; Y572-L599 HydrophobicContact CD2-CD1 3.87Å; Y572-L599 HydrophobicContact CE2-CD1 3.8Å; K595-L599 WeakPolarHBondContact O-CG 3.24Å; K595-L599 PolarHBondContact O-N 2.96Å; K595-L599 VanDerWaalsContact O-N 3.13Å; I596-L599 PolarHBondContact O-N 3.46Å; A597-L599 VanDerWaalsContact C-N 3.33Å; A597-L599 PolarHBondContact O-N 3.22Å; L599-M601 VanDerWaalsContact C-N 3.33Å; L599-T602 PolarHBondContact O-OG1 3.31Å; L599-G603 PolarHBondContact O-N 2.85Å; L599-L607 HydrophobicContact CB-CD2 4.02Å; L599-L607 WeakPolarHBondContact O-CD2 3.34Å
600	Y	96.8	Very high	93.9	Very high	38 Å²	38	47.8 Å²	47.8	15%	0.149	26%	0.257	C	S	.	.	H	α-helix	trans	-67.9	-33.2	175.7	-79.9	-61.4	0	0	0	112.9	L569 I596 A597 L607 K609 N610 M613 Y617	L569-Y600 HydrophobicContact CD1-CE1 4.08Å; L569-Y600 HydrophobicContact CD1-CE2 4.19Å; L569-Y600 HydrophobicContact CD2-CE2 4.21Å; I596-Y600 HydrophobicContact CG2-CD2 3.81Å; I596-Y600 HydrophobicContact CG2-CE2 3.68Å; I596-Y600 WeakPolarHBondContact O-CD2 3.31Å; I596-Y600 PolarHBondContact O-N 3.33Å; I596-Y600 VanDerWaalsContact O-N 3.14Å; A597-Y600 PolarHBondContact O-N 3.31Å; Y600-L607 HydrophobicContact CD1-CD1 4.16Å; Y600-L607 HydrophobicContact CD1-CD2 4.45Å; Y600-L607 HydrophobicContact CE1-CD1 3.85Å; Y600-K609 WeakPolarHBondContact O-CA 3.38Å; Y600-N610 HydrophobicContact CD1-CB 4.01Å; Y600-N610 PolarHBondContact O-N 3.31Å; Y600-M613 HydrophobicContact CD1-CB 4.12Å; Y600-M613 HydrophobicContact CD2-CB 4.16Å; Y600-M613 HydrophobicContact CE1-CB 4.42Å; Y600-M613 HydrophobicContact CE2-CB 4.46Å; Y600-M613 HydrophobicContact CE2-CE 4.45Å; Y600-M613 HydrophobicContact CG-CB 3.98Å; Y600-Y617 AromaticContact CD2-CD2 3.92Å; Y600-Y617 HydrophobicContact CD2-CD2 3.92Å; Y600-Y617 HydrophobicContact CD2-CE2 4.1Å; Y600-Y617 AromaticContact CE2-CD2 3.91Å; Y600-Y617 HydrophobicContact CE2-CD2 3.91Å; Y600-Y617 AromaticContact CE2-CE2 3.59Å; Y600-Y617 HydrophobicContact CE2-CE2 3.59Å
601	M	94.6	Very high	94.1	Very high	41 Å²	41	48.6 Å²	48.6	20%	0.202	26%	0.262	C	S	.	.	H	α-helix	trans	-70.4	-40.5	-180	-173.8	64	164.3	0	0	112.2	A597 E598 L599 K609 V611 A614 A644 L647	A597-M601 VanDerWaalsContact O-CB 3.3Å; A597-M601 WeakPolarHBondContact O-CB 3.31Å; A597-M601 PolarHBondContact O-N 3.36Å; E598-M601 PolarHBondContact O-N 3.23Å; L599-M601 VanDerWaalsContact C-N 3.33Å; M601-K609 WeakPolarHBondContact O-CD 3.29Å; M601-K609 WeakPolarHBondContact O-CE 2.95Å; M601-K609 WeakPolarHBondContact O-CG 3.26Å; M601-V611 HydrophobicContact SD-CG1 4.18Å; M601-A614 HydrophobicContact CB-CB 3.84Å; M601-A614 HydrophobicContact SD-CB 4.29Å; M601-A644 HydrophobicContact CE-CB 4.21Å; M601-A644 HydrophobicContact SD-CB 4.06Å; M601-L647 HydrophobicContact CE-CD1 3.31Å; M601-L647 HydrophobicContact SD-CD1 4.44Å
602	T	92.9	Very high	94.2	Very high	79 Å²	79	48.5 Å²	48.5	49%	0.485	27%	0.266	S	S	.	.	H	α-helix	trans	-79.5	-49.8	179.5	50.2	0	0	0	0	111	E598 L599	E598-T602 WeakPolarHBondContact O-CB 3.42Å; E598-T602 WeakPolarHBondContact O-CG2 3.32Å; E598-T602 PolarHBondContact O-N 3.25Å; E598-T602 PolarHBondContact O-OG1 3.42Å; L599-T602 PolarHBondContact O-OG1 3.31Å
603	G	91.5	Very high	94.3	Very high	18 Å²	18	50.9 Å²	50.9	19%	0.186	28%	0.278	C	S	.	.			trans	65.1	159.9	-165.2	0	0	0	0	0	111.8	F565 L599 L607	F565-G603 WeakPolarHBondContact CE2-O 2.74Å; L599-G603 PolarHBondContact O-N 2.85Å; G603-L607 WeakPolarHBondContact CA-O 3.46Å
604	G	92.1	Very high	94.4	Very high	34 Å²	34	49.7 Å²	49.7	35%	0.351	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	176.2	-154.6	-175.5	0	0	0	0	0	113.3	E606 L607	G604-E606 PolarHBondContact O-N 2.75Å; G604-E606 VanDerWaalsContact O-N 3.17Å; G604-L607 PolarHBondContact N-O 2.94Å; G604-L607 PolarHBondContact O-N 3.08Å; G604-L607 VanDerWaalsContact O-O 3.05Å
605	P	91.4	Very high	94.4	Very high	51 Å²	51	49.1 Å²	49.1	33%	0.331	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	123.1	179.8	-25.5	34.9	0	0	0	111.2	Q563 F565 L607	Q563-P605 HydrophobicContact CB-CG 4.32Å; Q563-P605 HydrophobicContact CG-CG 4.16Å; Q563-P605 WeakPolarHBondContact O-CB 3.38Å; F565-P605 PolarHBondContact N-O 2.9Å; P605-L607 PolarHBondContact O-N 2.9Å
606	E	91.6	Very high	94.6	Very high	139 Å²	139	50.2 Å²	50.2	65%	0.65	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	6.3	179.9	-54	176.7	179.1	0	0	115.9	S564 A566 G604	S564-E606 WeakPolarHBondContact CB-OE2 3.43Å; S564-E606 PolarHBondContact OG-OE2 3.19Å; A566-E606 HydrophobicContact CB-CB 3.77Å; G604-E606 PolarHBondContact O-N 2.75Å; G604-E606 VanDerWaalsContact O-N 3.17Å
607	L	94.1	Very high	94.6	Very high	24 Å²	24	51.5 Å²	51.5	13%	0.126	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-130.6	112	178.6	-176.1	64.8	0	0	0	111.6	F565 L569 L599 Y600 G603 G604 P605 K609	F565-L607 HydrophobicContact CB-CB 3.53Å; F565-L607 HydrophobicContact CB-CD2 3.78Å; F565-L607 HydrophobicContact CB-CG 4.31Å; F565-L607 HydrophobicContact CD2-CB 4.46Å; F565-L607 HydrophobicContact CD2-CD2 4.32Å; L569-L607 HydrophobicContact CD1-CD1 3.57Å; L569-L607 HydrophobicContact CD1-CD2 3.55Å; L569-L607 HydrophobicContact CD1-CG 4.19Å; L569-L607 HydrophobicContact CG-CD2 4.32Å; L599-L607 HydrophobicContact CB-CD2 4.02Å; L599-L607 WeakPolarHBondContact O-CD2 3.34Å; Y600-L607 HydrophobicContact CD1-CD1 4.16Å; Y600-L607 HydrophobicContact CD1-CD2 4.45Å; Y600-L607 HydrophobicContact CE1-CD1 3.85Å; G603-L607 WeakPolarHBondContact CA-O 3.46Å; G604-L607 PolarHBondContact N-O 2.94Å; G604-L607 PolarHBondContact O-N 3.08Å; G604-L607 VanDerWaalsContact O-O 3.05Å; P605-L607 PolarHBondContact O-N 2.9Å; L607-K609 PolarHBondContact O-N 2.9Å
608	T	94.3	Very high	94.7	Very high	125 Å²	125	52.5 Å²	52.5	77%	0.767	28%	0.283	S	S	*	.			trans	-67.8	129.1	170.7	-49.4	0	0	0	0	110.1	N610	T608-N610 PolarHBondContact O-N 2.9Å
609	K	94.4	Very high	94.8	Very high	113 Å²	113	49.2 Å²	49.2	49%	0.491	27%	0.269	S	S	.	.			trans	-51.6	127.4	171.4	177.8	174.5	172.1	174	0	110.2	Y600 M601 L607 V611	Y600-K609 WeakPolarHBondContact O-CA 3.38Å; M601-K609 WeakPolarHBondContact O-CD 3.29Å; M601-K609 WeakPolarHBondContact O-CE 2.95Å; M601-K609 WeakPolarHBondContact O-CG 3.26Å; L607-K609 PolarHBondContact O-N 2.9Å; K609-V611 HydrophobicContact CD-CG2 4.37Å; K609-V611 HydrophobicContact CG-CG2 4.19Å
610	N	94.9	Very high	94.8	Very high	65 Å²	65	52.7 Å²	52.7	35%	0.348	28%	0.284	S	S	.	.			trans	-137.5	93.4	179.3	-172.9	-27.5	0	0	0	109.6	Y600 T608 T612 M613 A614	Y600-N610 HydrophobicContact CD1-CB 4.01Å; Y600-N610 PolarHBondContact O-N 3.31Å; T608-N610 PolarHBondContact O-N 2.9Å; N610-T612 VanDerWaalsContact C-N 3.34Å; N610-T612 PolarHBondContact O-N 2.74Å; N610-T612 PolarHBondContact OD1-N 2.95Å; N610-M613 HydrophobicContact CB-CB 4.12Å; N610-M613 HydrophobicContact CB-CG 4.3Å; N610-M613 VanDerWaalsContact CG-CG 3.44Å; N610-M613 VanDerWaalsContact ND2-CG 3.28Å; N610-M613 WeakPolarHBondContact ND2-CG 3.44Å; N610-M613 PolarHBondContact O-N 2.92Å; N610-M613 PolarHBondContact OD1-N 3.03Å; N610-A614 PolarHBondContact O-N 3.46Å
611	V	94.5	Very high	94.8	Very high	20 Å²	20	50.9 Å²	50.9	12%	0.121	28%	0.277	C	S	.	.	H	α-helix	trans	-66.7	-35.8	-173.6	-175.1	0	0	0	0	111.9	M601 K609 A614 A615 A644 L647 C648	M601-V611 HydrophobicContact SD-CG1 4.18Å; K609-V611 HydrophobicContact CD-CG2 4.37Å; K609-V611 HydrophobicContact CG-CG2 4.19Å; V611-A614 WeakPolarHBondContact O-CB 3.37Å; V611-A614 PolarHBondContact O-N 2.95Å; V611-A615 PolarHBondContact O-N 2.89Å; V611-A644 HydrophobicContact CG1-CB 4.05Å; V611-A644 WeakPolarHBondContact CG1-O 3.48Å; V611-L647 HydrophobicContact CG1-CB 4.01Å; V611-C648 VanDerWaalsContact CG1-SG 3.54Å
612	T	95	Very high	94.9	Very high	65 Å²	65	49 Å²	49	40%	0.399	27%	0.267	S	S	.	.	H	α-helix	trans	-61.5	-47.4	176	-48.8	0	0	0	0	111.5	N610 A614 A615 E616	N610-T612 VanDerWaalsContact C-N 3.34Å; N610-T612 PolarHBondContact O-N 2.74Å; N610-T612 PolarHBondContact OD1-N 2.95Å; T612-A614 VanDerWaalsContact C-N 3.33Å; T612-A614 PolarHBondContact O-N 3.18Å; T612-A615 PolarHBondContact O-N 2.88Å; T612-E616 WeakPolarHBondContact O-CG 3.28Å; T612-E616 PolarHBondContact O-N 3.06Å
613	M	94.6	Very high	95	Very high	50 Å²	50	50.4 Å²	50.4	25%	0.246	27%	0.269	C	S	.	.	H	α-helix	trans	-64	-39.6	176	-73.3	-65.4	-72.1	0	0	111.6	Y600 N610 A615 E616 Y617	Y600-M613 HydrophobicContact CD1-CB 4.12Å; Y600-M613 HydrophobicContact CD2-CB 4.16Å; Y600-M613 HydrophobicContact CE1-CB 4.42Å; Y600-M613 HydrophobicContact CE2-CB 4.46Å; Y600-M613 HydrophobicContact CE2-CE 4.45Å; Y600-M613 HydrophobicContact CG-CB 3.98Å; N610-M613 HydrophobicContact CB-CB 4.12Å; N610-M613 HydrophobicContact CB-CG 4.3Å; N610-M613 VanDerWaalsContact CG-CG 3.44Å; N610-M613 VanDerWaalsContact ND2-CG 3.28Å; N610-M613 WeakPolarHBondContact ND2-CG 3.44Å; N610-M613 PolarHBondContact O-N 2.92Å; N610-M613 PolarHBondContact OD1-N 3.03Å; M613-A615 VanDerWaalsContact C-N 3.34Å; M613-A615 PolarHBondContact O-N 3.1Å; M613-E616 PolarHBondContact O-N 2.88Å; M613-Y617 HydrophobicContact CE-CD2 4.35Å; M613-Y617 HydrophobicContact CE-CE2 3.69Å; M613-Y617 VanDerWaalsContact O-CD2 3.31Å; M613-Y617 WeakPolarHBondContact O-CD2 3.24Å; M613-Y617 PolarHBondContact O-N 2.73Å
614	A	96	Very high	95.1	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.7	-46.9	174.7	0	0	0	0	0	111.7	A597 M601 N610 V611 T612 E616 Y617 Y618	A597-A614 WeakPolarHBondContact CB-O 3.34Å; A597-A614 WeakPolarHBondContact O-CB 3.48Å; M601-A614 HydrophobicContact CB-CB 3.84Å; M601-A614 HydrophobicContact SD-CB 4.29Å; N610-A614 PolarHBondContact O-N 3.46Å; V611-A614 WeakPolarHBondContact O-CB 3.37Å; V611-A614 PolarHBondContact O-N 2.95Å; T612-A614 VanDerWaalsContact C-N 3.33Å; T612-A614 PolarHBondContact O-N 3.18Å; A614-E616 PolarHBondContact O-N 3.04Å; A614-Y617 PolarHBondContact O-N 3.28Å; A614-Y618 WeakPolarHBondContact O-CD2 3.37Å; A614-Y618 PolarHBondContact O-N 3.5Å
615	A	96.5	Very high	95.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-42.8	177.7	0	0	0	0	0	112.4	V611 T612 M613 Y617 Y618 N619 A644 Y645	V611-A615 PolarHBondContact O-N 2.89Å; T612-A615 PolarHBondContact O-N 2.88Å; M613-A615 VanDerWaalsContact C-N 3.34Å; M613-A615 PolarHBondContact O-N 3.1Å; A615-Y617 PolarHBondContact O-N 3.45Å; A615-Y618 PolarHBondContact O-N 3.47Å; A615-N619 PolarHBondContact O-N 3.13Å; A615-N619 PolarHBondContact O-ND2 2.77Å; A615-A644 HydrophobicContact CB-CB 3.76Å; A615-Y645 HydrophobicContact CB-CD1 3.88Å; A615-Y645 HydrophobicContact CB-CD2 3.71Å; A615-Y645 HydrophobicContact CB-CE1 3.71Å; A615-Y645 HydrophobicContact CB-CE2 3.55Å; A615-Y645 HydrophobicContact CB-CG 3.86Å
616	E	96.9	Very high	95.4	Very high	77 Å²	77	49.6 Å²	49.6	36%	0.36	25%	0.253	S	S	.	.	H	α-helix	trans	-61	-43.6	175	-72	-179.8	-167.9	0	0	112.5	T612 M613 A614 N619 K620	T612-E616 WeakPolarHBondContact O-CG 3.28Å; T612-E616 PolarHBondContact O-N 3.06Å; M613-E616 PolarHBondContact O-N 2.88Å; A614-E616 PolarHBondContact O-N 3.04Å; E616-N619 PolarHBondContact O-N 2.88Å; E616-K620 WeakPolarHBondContact O-CG 3.44Å; E616-K620 PolarHBondContact O-N 3.29Å
617	Y	97	Very high	95.4	Very high	26 Å²	26	50 Å²	50	10%	0.102	26%	0.255	C	S	.	.	H	α-helix	trans	-71.2	-33.6	177.9	-85.3	-79	0	0	0	112.7	F593 I596 Y600 M613 A614 A615 N619 K620 A621	F593-Y617 AromaticContact CD1-CD1 3.79Å; F593-Y617 HydrophobicContact CD1-CD1 3.79Å; F593-Y617 HydrophobicContact CD1-CE1 4.05Å; F593-Y617 HydrophobicContact CE1-CD1 4.43Å; F593-Y617 HydrophobicContact CE1-CE1 4.35Å; I596-Y617 HydrophobicContact CB-CD1 4.1Å; I596-Y617 HydrophobicContact CB-CE1 4.32Å; I596-Y617 HydrophobicContact CB-CG 4.39Å; I596-Y617 HydrophobicContact CD1-CD1 4.47Å; I596-Y617 HydrophobicContact CD1-CE1 4.08Å; I596-Y617 HydrophobicContact CG2-CD1 3.59Å; I596-Y617 HydrophobicContact CG2-CD2 3.75Å; I596-Y617 HydrophobicContact CG2-CE1 3.59Å; I596-Y617 HydrophobicContact CG2-CE2 3.76Å; I596-Y617 HydrophobicContact CG2-CG 3.66Å; Y600-Y617 AromaticContact CD2-CD2 3.92Å; Y600-Y617 HydrophobicContact CD2-CD2 3.92Å; Y600-Y617 HydrophobicContact CD2-CE2 4.1Å; Y600-Y617 AromaticContact CE2-CD2 3.91Å; Y600-Y617 HydrophobicContact CE2-CD2 3.91Å; Y600-Y617 AromaticContact CE2-CE2 3.59Å; Y600-Y617 HydrophobicContact CE2-CE2 3.59Å; M613-Y617 HydrophobicContact CE-CD2 4.35Å; M613-Y617 HydrophobicContact CE-CE2 3.69Å; M613-Y617 VanDerWaalsContact O-CD2 3.31Å; M613-Y617 WeakPolarHBondContact O-CD2 3.24Å; M613-Y617 PolarHBondContact O-N 2.73Å; A614-Y617 PolarHBondContact O-N 3.28Å; A615-Y617 PolarHBondContact O-N 3.45Å; Y617-N619 VanDerWaalsContact C-N 3.35Å; Y617-K620 HydrophobicContact CD1-CD 4.16Å; Y617-K620 HydrophobicContact CE1-CD 4.44Å; Y617-K620 PolarHBondContact O-N 3.24Å; Y617-A621 WeakPolarHBondContact O-CB 3.47Å; Y617-A621 PolarHBondContact O-N 3.06Å
618	Y	98.3	Very high	95.2	Very high	21 Å²	21	50.4 Å²	50.4	8%	0.082	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-38.7	170.4	-78.2	-52.3	0	0	0	112	A597 A614 A615 A621 A622 Y637 L640	A597-Y618 HydrophobicContact CB-CD1 3.49Å; A597-Y618 VanDerWaalsContact CB-CD1 3.49Å; A597-Y618 HydrophobicContact CB-CD2 3.71Å; A597-Y618 HydrophobicContact CB-CE1 3.51Å; A597-Y618 HydrophobicContact CB-CE2 3.73Å; A597-Y618 HydrophobicContact CB-CG 3.57Å; A614-Y618 WeakPolarHBondContact O-CD2 3.37Å; A614-Y618 PolarHBondContact O-N 3.5Å; A615-Y618 PolarHBondContact O-N 3.47Å; Y618-A621 WeakPolarHBondContact O-CB 3.41Å; Y618-A621 PolarHBondContact O-N 3.4Å; Y618-A622 PolarHBondContact O-N 2.97Å; Y618-Y637 HydrophobicContact CD1-CD1 4.36Å; Y618-L640 HydrophobicContact CD1-CB 3.97Å; Y618-L640 HydrophobicContact CD1-CD1 4.24Å; Y618-L640 HydrophobicContact CD2-CB 4.07Å; Y618-L640 HydrophobicContact CE1-CB 4.11Å; Y618-L640 HydrophobicContact CE1-CD1 3.86Å; Y618-L640 HydrophobicContact CE2-CB 4.2Å; Y618-L640 HydrophobicContact CG-CB 3.98Å
619	N	97.5	Very high	95.1	Very high	42 Å²	42	53 Å²	53	23%	0.225	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-45.4	171.9	-79.7	-31.8	0	0	0	111.9	A615 E616 Y617 A621 A622 E623 A641	A615-N619 PolarHBondContact O-N 3.13Å; A615-N619 PolarHBondContact O-ND2 2.77Å; E616-N619 PolarHBondContact O-N 2.88Å; Y617-N619 VanDerWaalsContact C-N 3.35Å; N619-A621 VanDerWaalsContact C-N 3.27Å; N619-A621 PolarHBondContact O-N 3.35Å; N619-A622 WeakPolarHBondContact O-CB 3.42Å; N619-A622 PolarHBondContact O-N 2.92Å; N619-A622 VanDerWaalsContact O-N 3.08Å; N619-E623 WeakPolarHBondContact O-CG 3.28Å; N619-E623 PolarHBondContact O-N 3.45Å; N619-A641 VanDerWaalsContact OD1-CB 3.29Å; N619-A641 WeakPolarHBondContact OD1-CB 3.45Å
620	K	96.4	Very high	95	Very high	79 Å²	79	51.6 Å²	51.6	34%	0.343	26%	0.262	S	S	.	.	H	α-helix	trans	-59.3	-38	173.7	-70	173.2	-175.6	169.3	0	112.3	F593 E616 Y617 A624	F593-K620 HydrophobicContact CD1-CB 4.24Å; F593-K620 HydrophobicContact CD2-CB 3.94Å; F593-K620 WeakPolarHBondContact CD2-O 3.21Å; F593-K620 HydrophobicContact CE1-CB 4.39Å; F593-K620 HydrophobicContact CE1-CD 4.33Å; F593-K620 HydrophobicContact CE2-CB 4.09Å; F593-K620 HydrophobicContact CG-CB 4.01Å; F593-K620 HydrophobicContact CZ-CB 4.32Å; E616-K620 WeakPolarHBondContact O-CG 3.44Å; E616-K620 PolarHBondContact O-N 3.29Å; Y617-K620 HydrophobicContact CD1-CD 4.16Å; Y617-K620 HydrophobicContact CE1-CD 4.44Å; Y617-K620 PolarHBondContact O-N 3.24Å; K620-A624 WeakPolarHBondContact O-CB 3.46Å; K620-A624 PolarHBondContact O-N 3.12Å
621	A	95.9	Very high	94.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-43	173.8	0	0	0	0	0	111.5	H590 F593 A594 Y617 Y618 N619 A624 A625 Y637	H590-A621 WeakPolarHBondContact CB-O 3.06Å; H590-A621 WeakPolarHBondContact O-CB 3.33Å; F593-A621 HydrophobicContact CB-CB 3.68Å; A594-A621 HydrophobicContact CB-CB 4.26Å; Y617-A621 WeakPolarHBondContact O-CB 3.47Å; Y617-A621 PolarHBondContact O-N 3.06Å; Y618-A621 WeakPolarHBondContact O-CB 3.41Å; Y618-A621 PolarHBondContact O-N 3.4Å; N619-A621 VanDerWaalsContact C-N 3.27Å; N619-A621 PolarHBondContact O-N 3.35Å; A621-A624 PolarHBondContact O-N 3.42Å; A621-A625 VanDerWaalsContact O-CB 3.27Å; A621-A625 WeakPolarHBondContact O-CB 3.13Å; A621-A625 PolarHBondContact O-N 3.06Å; A621-Y637 HydrophobicContact CB-CD1 4.29Å; A621-Y637 HydrophobicContact CB-CD2 3.72Å; A621-Y637 HydrophobicContact CB-CE2 4.04Å; A621-Y637 HydrophobicContact CB-CG 3.86Å
622	A	97.4	Very high	94.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.3	-43.5	178.2	0	0	0	0	0	112.7	Y618 N619 A625 T626 A634 F638	Y618-A622 PolarHBondContact O-N 2.97Å; N619-A622 WeakPolarHBondContact O-CB 3.42Å; N619-A622 PolarHBondContact O-N 2.92Å; N619-A622 VanDerWaalsContact O-N 3.08Å; A622-A625 PolarHBondContact O-N 3.39Å; A622-T626 WeakPolarHBondContact O-CB 3.11Å; A622-T626 PolarHBondContact O-N 2.89Å; A622-T626 PolarHBondContact O-OG1 2.82Å; A622-A634 WeakPolarHBondContact O-CB 3.46Å; A622-F638 HydrophobicContact CB-CD1 3.58Å; A622-F638 HydrophobicContact CB-CD2 3.73Å; A622-F638 HydrophobicContact CB-CE1 3.5Å; A622-F638 HydrophobicContact CB-CE2 3.65Å; A622-F638 HydrophobicContact CB-CG 3.68Å; A622-F638 HydrophobicContact CB-CZ 3.53Å
623	E	95.7	Very high	94.9	Very high	110 Å²	110	57.7 Å²	57.7	51%	0.514	29%	0.29	S	S	.	.	H	α-helix	trans	-60.5	-52.7	174.5	-71.3	173	178	0	0	111	N619 A625 T626 E627	N619-E623 WeakPolarHBondContact O-CG 3.28Å; N619-E623 PolarHBondContact O-N 3.45Å; E623-A625 VanDerWaalsContact C-N 3.29Å; E623-A625 PolarHBondContact O-N 2.96Å; E623-T626 WeakPolarHBondContact O-CA 3.29Å; E623-T626 WeakPolarHBondContact O-CB 3.26Å; E623-T626 PolarHBondContact O-N 3.48Å; E623-E627 WeakPolarHBondContact O-CG 3.36Å; E623-E627 PolarHBondContact O-N 3.07Å
624	A	92.8	Very high	95	Very high	9 Å²	9	55.3 Å²	55.3	7%	0.074	28%	0.279	C	S	.	.	H	α-helix	trans	-62	-34.2	178.3	0	0	0	0	0	112.8	K589 H590 F593 K620 A621 A628	K589-A624 HydrophobicContact CB-CB 4.46Å; K589-A624 HydrophobicContact CD-CB 4.48Å; K589-A624 HydrophobicContact CG-CB 4.48Å; H590-A624 HydrophobicContact CB-CB 3.88Å; F593-A624 HydrophobicContact CD2-CB 4.09Å; F593-A624 HydrophobicContact CE2-CB 4.16Å; K620-A624 WeakPolarHBondContact O-CB 3.46Å; K620-A624 PolarHBondContact O-N 3.12Å; A621-A624 PolarHBondContact O-N 3.42Å; A624-A628 WeakPolarHBondContact O-CB 3.5Å; A624-A628 PolarHBondContact O-N 3.47Å
625	A	94.3	Very high	95	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-70.5	-33.4	174.2	0	0	0	0	0	111.9	H590 A621 A622 E623 A628 M629 K630 A634 Y637	H590-A625 HydrophobicContact CB-CB 3.85Å; A621-A625 VanDerWaalsContact O-CB 3.27Å; A621-A625 WeakPolarHBondContact O-CB 3.13Å; A621-A625 PolarHBondContact O-N 3.06Å; A622-A625 PolarHBondContact O-N 3.39Å; E623-A625 VanDerWaalsContact C-N 3.29Å; E623-A625 PolarHBondContact O-N 2.96Å; A625-A628 CarbonylContact O-C 3.53Å; A625-A628 PolarHBondContact O-N 2.69Å; A625-M629 PolarHBondContact O-N 2.88Å; A625-K630 HydrophobicContact CB-CB 4.47Å; A625-K630 WeakPolarHBondContact O-CA 3.49Å; A625-K630 PolarHBondContact O-N 2.87Å; A625-A634 HydrophobicContact CB-CB 3.95Å; A625-Y637 HydrophobicContact CB-CD2 4.11Å; A625-Y637 HydrophobicContact CB-CE2 4.21Å
626	T	95	Very high	95.1	Very high	77 Å²	77	66.4 Å²	66.4	47%	0.472	33%	0.332	S	S	.	.	H	α-helix	trans	-68	-44.2	174.5	-57.8	0	0	0	0	110.9	A622 E623 A628 M629 A634	A622-T626 WeakPolarHBondContact O-CB 3.11Å; A622-T626 PolarHBondContact O-N 2.89Å; A622-T626 PolarHBondContact O-OG1 2.82Å; E623-T626 WeakPolarHBondContact O-CA 3.29Å; E623-T626 WeakPolarHBondContact O-CB 3.26Å; E623-T626 PolarHBondContact O-N 3.48Å; T626-A628 VanDerWaalsContact C-N 3.29Å; T626-A628 PolarHBondContact O-N 2.67Å; T626-M629 WeakPolarHBondContact O-CA 3.48Å; T626-M629 PolarHBondContact O-N 3.16Å; T626-A634 WeakPolarHBondContact OG1-CB 3.44Å
627	E	92	Very high	95.1	Very high	146 Å²	146	63.7 Å²	63.7	68%	0.682	32%	0.319	S	S	*	.	H	α-helix	trans	-58.5	-41.2	173.5	-70.5	176.9	172.9	0	0	111.6	E623 M629	E623-E627 WeakPolarHBondContact O-CG 3.36Å; E623-E627 PolarHBondContact O-N 3.07Å; E627-M629 PolarHBondContact O-N 3.16Å
628	A	90.3	Very high	95.2	Very high	33 Å²	33	66.1 Å²	66.1	27%	0.273	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	9.9	174.2	0	0	0	0	0	114.1	A624 A625 T626 K630	A624-A628 WeakPolarHBondContact O-CB 3.5Å; A624-A628 PolarHBondContact O-N 3.47Å; A625-A628 CarbonylContact O-C 3.53Å; A625-A628 PolarHBondContact O-N 2.69Å; T626-A628 VanDerWaalsContact C-N 3.29Å; T626-A628 PolarHBondContact O-N 2.67Å; A628-K630 HydrophobicContact CB-CG 4.42Å; A628-K630 PolarHBondContact O-N 3.44Å; A628-K630 VanDerWaalsContact O-N 3.14Å
629	M	92	Very high	95.1	Very high	179 Å²	179	68.6 Å²	68.6	88%	0.882	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	21.8	-178.3	-55.1	-173.4	-179.5	0	0	115	A625 T626 E627 G631	A625-M629 PolarHBondContact O-N 2.88Å; T626-M629 WeakPolarHBondContact O-CA 3.48Å; T626-M629 PolarHBondContact O-N 3.16Å; E627-M629 PolarHBondContact O-N 3.16Å; M629-G631 PolarHBondContact O-N 3.05Å
630	K	92.1	Very high	95.1	Very high	85 Å²	85	68.7 Å²	68.7	37%	0.37	35%	0.347	S	S	.	.			trans	-92.1	58.1	177	-62.3	-174.6	-176.7	-178.8	0	111.3	A625 A628 K632 L633 A634	A625-K630 HydrophobicContact CB-CB 4.47Å; A625-K630 WeakPolarHBondContact O-CA 3.49Å; A625-K630 PolarHBondContact O-N 2.87Å; A628-K630 HydrophobicContact CB-CG 4.42Å; A628-K630 PolarHBondContact O-N 3.44Å; A628-K630 VanDerWaalsContact O-N 3.14Å; K630-K632 VanDerWaalsContact C-N 3.34Å; K630-K632 PolarHBondContact O-N 3.4Å; K630-K632 VanDerWaalsContact O-N 3.16Å; K630-L633 HydrophobicContact CB-CB 4.08Å; K630-L633 HydrophobicContact CD-CD2 4.19Å; K630-L633 WeakPolarHBondContact O-CA 3.39Å; K630-L633 WeakPolarHBondContact O-CB 3.47Å; K630-L633 PolarHBondContact O-N 2.92Å; K630-A634 PolarHBondContact O-N 3.4Å
631	G	92.4	Very high	95.1	Very high	38 Å²	38	65 Å²	65	39%	0.392	33%	0.331	S	S	.	.	H	α-helix	trans	-56.1	-35	-171	0	0	0	0	0	116.2	M629 L633 A634 N635	M629-G631 PolarHBondContact O-N 3.05Å; G631-L633 VanDerWaalsContact C-N 3.32Å; G631-L633 PolarHBondContact O-N 2.87Å; G631-A634 PolarHBondContact O-N 3.12Å; G631-N635 PolarHBondContact O-N 3.04Å
632	K	95.3	Very high	95.1	Very high	195 Å²	195	71.5 Å²	71.5	85%	0.848	36%	0.362	S	S	*	.	H	α-helix	trans	-64.7	-37.7	174	-70.3	-176.2	-178.8	177.3	0	112.4	K630 K636	K630-K632 VanDerWaalsContact C-N 3.34Å; K630-K632 PolarHBondContact O-N 3.4Å; K630-K632 VanDerWaalsContact O-N 3.16Å; K632-K636 PolarHBondContact O-N 3.46Å
633	L	94.4	Very high	94.9	Very high	44 Å²	44	76.6 Å²	76.6	23%	0.23	39%	0.385	C	S	.	.	H	α-helix	trans	-75.5	-38.4	179.3	-172.3	62.6	0	0	0	110.7	H590 K630 G631 N635 K636 Y637	H590-L633 WeakPolarHBondContact CE1-CD2 3.47Å; H590-L633 WeakPolarHBondContact ND1-CD2 3.4Å; K630-L633 HydrophobicContact CB-CB 4.08Å; K630-L633 HydrophobicContact CD-CD2 4.19Å; K630-L633 WeakPolarHBondContact O-CA 3.39Å; K630-L633 WeakPolarHBondContact O-CB 3.47Å; K630-L633 PolarHBondContact O-N 2.92Å; G631-L633 VanDerWaalsContact C-N 3.32Å; G631-L633 PolarHBondContact O-N 2.87Å; L633-N635 PolarHBondContact O-N 3.43Å; L633-K636 HydrophobicContact CD1-CD 4.33Å; L633-K636 WeakPolarHBondContact O-CB 3.31Å; L633-K636 PolarHBondContact O-N 3.26Å; L633-K636 VanDerWaalsContact O-N 3.14Å; L633-Y637 HydrophobicContact CD1-CE1 4.42Å; L633-Y637 HydrophobicContact CD1-CE2 4.04Å; L633-Y637 HydrophobicContact CD2-CE2 3.97Å; L633-Y637 HydrophobicContact CG-CD2 4.17Å; L633-Y637 HydrophobicContact CG-CE2 3.55Å; L633-Y637 WeakPolarHBondContact O-CD2 3.47Å; L633-Y637 PolarHBondContact O-N 2.87Å
634	A	96.1	Very high	94.8	Very high	1 Å²	1	71.3 Å²	71.3	1%	0.008	36%	0.361	C	S	.	.	H	α-helix	trans	-56.5	-48.6	171.9	0	0	0	0	0	112	A622 A625 T626 K630 G631 K636 Y637 F638	A622-A634 WeakPolarHBondContact O-CB 3.46Å; A625-A634 HydrophobicContact CB-CB 3.95Å; T626-A634 WeakPolarHBondContact OG1-CB 3.44Å; K630-A634 PolarHBondContact O-N 3.4Å; G631-A634 PolarHBondContact O-N 3.12Å; A634-K636 VanDerWaalsContact C-N 3.27Å; A634-K636 PolarHBondContact O-N 3.49Å; A634-Y637 PolarHBondContact O-N 3.12Å; A634-Y637 VanDerWaalsContact O-N 3.09Å; A634-F638 VanDerWaalsContact O-CD2 3.3Å; A634-F638 WeakPolarHBondContact O-CD2 3.37Å; A634-F638 PolarHBondContact O-N 3.22Å
635	N	97.1	Very high	94.9	Very high	105 Å²	105	75.3 Å²	75.3	56%	0.561	38%	0.375	S	S	*	.	H	α-helix	trans	-58.9	-38.6	175.9	-71.9	-6	0	0	0	112.3	G631 L633 F638 V639	G631-N635 PolarHBondContact O-N 3.04Å; L633-N635 PolarHBondContact O-N 3.43Å; N635-F638 PolarHBondContact O-N 2.77Å; N635-V639 WeakPolarHBondContact O-CG2 3.37Å; N635-V639 PolarHBondContact O-N 3.34Å; N635-V639 VanDerWaalsContact O-N 3.07Å
636	K	97.6	Very high	94.8	Very high	127 Å²	127	78 Å²	78	55%	0.552	40%	0.396	S	S	*	.	H	α-helix	trans	-61.2	-44.1	175.2	-177.6	-173.5	173.9	-170.7	0	111.3	K632 L633 A634 V639 L640	K632-K636 PolarHBondContact O-N 3.46Å; L633-K636 HydrophobicContact CD1-CD 4.33Å; L633-K636 WeakPolarHBondContact O-CB 3.31Å; L633-K636 PolarHBondContact O-N 3.26Å; L633-K636 VanDerWaalsContact O-N 3.14Å; A634-K636 VanDerWaalsContact C-N 3.27Å; A634-K636 PolarHBondContact O-N 3.49Å; K636-V639 PolarHBondContact O-N 2.68Å; K636-L640 HydrophobicContact CG-CD1 4.47Å; K636-L640 WeakPolarHBondContact O-CG 3.23Å; K636-L640 PolarHBondContact O-N 2.73Å; K636-L640 VanDerWaalsContact O-N 3.09Å
637	Y	98	Very high	94.6	Very high	20 Å²	20	77.7 Å²	77.7	8%	0.078	39%	0.392	C	S	.	.	H	α-helix	trans	-69.3	-36.3	178.8	-65.3	-42	0	0	0	112.9	H590 A594 Y618 A621 A625 L633 A634 V639 L640 A641	H590-Y637 HydrophobicContact CB-CE2 4.01Å; H590-Y637 AromaticContact ND1-CE2 3.74Å; A594-Y637 HydrophobicContact CB-CD1 4.15Å; A594-Y637 HydrophobicContact CB-CE1 3.4Å; A594-Y637 VanDerWaalsContact CB-CE1 3.4Å; Y618-Y637 HydrophobicContact CD1-CD1 4.36Å; A621-Y637 HydrophobicContact CB-CD1 4.29Å; A621-Y637 HydrophobicContact CB-CD2 3.72Å; A621-Y637 HydrophobicContact CB-CE2 4.04Å; A621-Y637 HydrophobicContact CB-CG 3.86Å; A625-Y637 HydrophobicContact CB-CD2 4.11Å; A625-Y637 HydrophobicContact CB-CE2 4.21Å; L633-Y637 HydrophobicContact CD1-CE1 4.42Å; L633-Y637 HydrophobicContact CD1-CE2 4.04Å; L633-Y637 HydrophobicContact CD2-CE2 3.97Å; L633-Y637 HydrophobicContact CG-CD2 4.17Å; L633-Y637 HydrophobicContact CG-CE2 3.55Å; L633-Y637 WeakPolarHBondContact O-CD2 3.47Å; L633-Y637 PolarHBondContact O-N 2.87Å; A634-Y637 PolarHBondContact O-N 3.12Å; A634-Y637 VanDerWaalsContact O-N 3.09Å; Y637-V639 VanDerWaalsContact C-N 3.35Å; Y637-V639 PolarHBondContact O-N 3.03Å; Y637-L640 HydrophobicContact CD1-CD1 4.19Å; Y637-L640 PolarHBondContact O-N 2.99Å; Y637-A641 PolarHBondContact O-N 3Å
638	F	98	Very high	94.1	Very high	78 Å²	78	73 Å²	73	34%	0.342	38%	0.375	S	S	.	.	H	α-helix	trans	-61.2	-42.4	172.1	-76.2	-55.2	0	0	0	112.2	A622 A634 N635 L640 A641 E642	A622-F638 HydrophobicContact CB-CD1 3.58Å; A622-F638 HydrophobicContact CB-CD2 3.73Å; A622-F638 HydrophobicContact CB-CE1 3.5Å; A622-F638 HydrophobicContact CB-CE2 3.65Å; A622-F638 HydrophobicContact CB-CG 3.68Å; A622-F638 HydrophobicContact CB-CZ 3.53Å; A634-F638 VanDerWaalsContact O-CD2 3.3Å; A634-F638 WeakPolarHBondContact O-CD2 3.37Å; A634-F638 PolarHBondContact O-N 3.22Å; N635-F638 PolarHBondContact O-N 2.77Å; F638-L640 PolarHBondContact O-N 2.9Å; F638-A641 WeakPolarHBondContact O-CB 3.33Å; F638-A641 PolarHBondContact O-N 3.07Å; F638-E642 PolarHBondContact O-N 3.28Å
639	V	97.4	Very high	93.3	Very high	72 Å²	72	78.6 Å²	78.6	44%	0.436	40%	0.4	S	S	.	.	H	α-helix	trans	-61	-44.4	174.8	172	0	0	0	0	111.1	N635 K636 Y637 A641 E642 E643	N635-V639 WeakPolarHBondContact O-CG2 3.37Å; N635-V639 PolarHBondContact O-N 3.34Å; N635-V639 VanDerWaalsContact O-N 3.07Å; K636-V639 PolarHBondContact O-N 2.68Å; Y637-V639 VanDerWaalsContact C-N 3.35Å; Y637-V639 PolarHBondContact O-N 3.03Å; V639-A641 VanDerWaalsContact C-N 3.29Å; V639-A641 PolarHBondContact O-N 3.12Å; V639-E642 PolarHBondContact O-N 2.95Å; V639-E643 HydrophobicContact CG1-CG 4.4Å; V639-E643 WeakPolarHBondContact O-CG 3.43Å; V639-E643 PolarHBondContact O-N 3.3Å
640	L	97.2	Very high	91.9	Very high	45 Å²	45	80.1 Å²	80.1	24%	0.236	41%	0.405	C	S	.	.	H	α-helix	trans	-63.5	-33.4	176.1	-70	171.3	0	0	0	112.8	Y618 K636 Y637 F638 A644	Y618-L640 HydrophobicContact CD1-CB 3.97Å; Y618-L640 HydrophobicContact CD1-CD1 4.24Å; Y618-L640 HydrophobicContact CD2-CB 4.07Å; Y618-L640 HydrophobicContact CE1-CB 4.11Å; Y618-L640 HydrophobicContact CE1-CD1 3.86Å; Y618-L640 HydrophobicContact CE2-CB 4.2Å; Y618-L640 HydrophobicContact CG-CB 3.98Å; K636-L640 HydrophobicContact CG-CD1 4.47Å; K636-L640 WeakPolarHBondContact O-CG 3.23Å; K636-L640 PolarHBondContact O-N 2.73Å; K636-L640 VanDerWaalsContact O-N 3.09Å; Y637-L640 HydrophobicContact CD1-CD1 4.19Å; Y637-L640 PolarHBondContact O-N 2.99Å; F638-L640 PolarHBondContact O-N 2.9Å; L640-A644 WeakPolarHBondContact O-CB 3.39Å; L640-A644 PolarHBondContact O-N 2.8Å
641	A	96.2	Very high	91.9	Very high	0 Å²	0	79.9 Å²	79.9	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-68	-42.9	174.4	0	0	0	0	0	111.9	N619 Y637 F638 V639 A644 Y645	N619-A641 VanDerWaalsContact OD1-CB 3.29Å; N619-A641 WeakPolarHBondContact OD1-CB 3.45Å; Y637-A641 PolarHBondContact O-N 3Å; F638-A641 WeakPolarHBondContact O-CB 3.33Å; F638-A641 PolarHBondContact O-N 3.07Å; V639-A641 VanDerWaalsContact C-N 3.29Å; V639-A641 PolarHBondContact O-N 3.12Å; A641-A644 PolarHBondContact O-N 3.47Å; A641-Y645 VanDerWaalsContact O-CD2 3.25Å; A641-Y645 WeakPolarHBondContact O-CD2 3.44Å; A641-Y645 PolarHBondContact O-N 2.91Å
642	E	95.5	Very high	91.8	Very high	138 Å²	138	82.1 Å²	82.1	65%	0.645	41%	0.407	S	S	*	.	H	α-helix	trans	-64	-43.6	174.9	-72.6	-179.3	177.2	0	0	111.8	F638 V639 A644 Y645 A646	F638-E642 PolarHBondContact O-N 3.28Å; V639-E642 PolarHBondContact O-N 2.95Å; E642-A644 VanDerWaalsContact C-N 3.3Å; E642-A644 PolarHBondContact O-N 3.01Å; E642-Y645 PolarHBondContact O-N 3.17Å; E642-A646 WeakPolarHBondContact O-CB 3.32Å; E642-A646 PolarHBondContact O-N 3.27Å
643	E	94.6	Very high	91.6	Very high	106 Å²	106	75.8 Å²	75.8	50%	0.495	38%	0.383	S	S	.	.	H	α-helix	trans	-59.8	-40.6	174.4	-74.1	175.7	-177.8	0	0	111.7	V639 L647	V639-E643 HydrophobicContact CG1-CG 4.4Å; V639-E643 WeakPolarHBondContact O-CG 3.43Å; V639-E643 PolarHBondContact O-N 3.3Å; E643-L647 WeakPolarHBondContact O-CG 3.35Å; E643-L647 PolarHBondContact O-N 2.86Å
644	A	93.4	Very high	91.5	Very high	0 Å²	0	77.6 Å²	77.6	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-65.4	-47.5	174.2	0	0	0	0	0	111.6	M601 V611 A615 L640 A641 E642 A646 L647 C648	M601-A644 HydrophobicContact CE-CB 4.21Å; M601-A644 HydrophobicContact SD-CB 4.06Å; V611-A644 HydrophobicContact CG1-CB 4.05Å; V611-A644 WeakPolarHBondContact CG1-O 3.48Å; A615-A644 HydrophobicContact CB-CB 3.76Å; L640-A644 WeakPolarHBondContact O-CB 3.39Å; L640-A644 PolarHBondContact O-N 2.8Å; A641-A644 PolarHBondContact O-N 3.47Å; E642-A644 VanDerWaalsContact C-N 3.3Å; E642-A644 PolarHBondContact O-N 3.01Å; A644-A646 VanDerWaalsContact C-N 3.29Å; A644-A646 PolarHBondContact O-N 3.26Å; A644-L647 WeakPolarHBondContact O-CB 3.5Å; A644-L647 PolarHBondContact O-N 3.3Å; A644-L647 VanDerWaalsContact O-N 3.08Å; A644-C648 PolarHBondContact O-N 3.13Å
645	Y	93.7	Very high	91.2	Very high	93 Å²	93	82.4 Å²	82.4	37%	0.365	42%	0.416	S	S	.	.	H	α-helix	trans	-60.5	-37.5	176.9	-80.2	-57.3	0	0	0	113.1	A615 A641 E642 L647 C648	A615-Y645 HydrophobicContact CB-CD1 3.88Å; A615-Y645 HydrophobicContact CB-CD2 3.71Å; A615-Y645 HydrophobicContact CB-CE1 3.71Å; A615-Y645 HydrophobicContact CB-CE2 3.55Å; A615-Y645 HydrophobicContact CB-CG 3.86Å; A641-Y645 VanDerWaalsContact O-CD2 3.25Å; A641-Y645 WeakPolarHBondContact O-CD2 3.44Å; A641-Y645 PolarHBondContact O-N 2.91Å; E642-Y645 PolarHBondContact O-N 3.17Å; Y645-L647 PolarHBondContact O-N 3.17Å; Y645-C648 WeakPolarHBondContact O-CB 3.37Å; Y645-C648 PolarHBondContact O-N 3.36Å
646	A	92.2	Very high	90.8	Very high	55 Å²	55	80.9 Å²	80.9	46%	0.455	41%	0.406	S	S	.	.	H	α-helix	trans	-59.9	-32.8	176.1	0	0	0	0	0	112.5	E642 A644 C648 D649	E642-A646 WeakPolarHBondContact O-CB 3.32Å; E642-A646 PolarHBondContact O-N 3.27Å; A644-A646 VanDerWaalsContact C-N 3.29Å; A644-A646 PolarHBondContact O-N 3.26Å; A646-C648 VanDerWaalsContact C-N 3.29Å; A646-C648 PolarHBondContact O-N 3.36Å; A646-D649 PolarHBondContact O-N 3.18Å
647	L	90.5	Very high	90.3	Very high	71 Å²	71	77.6 Å²	77.6	37%	0.372	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-10.1	175.4	-68.2	169	0	0	0	114	M601 V611 E643 A644 Y645	M601-L647 HydrophobicContact CE-CD1 3.31Å; M601-L647 HydrophobicContact SD-CD1 4.44Å; V611-L647 HydrophobicContact CG1-CB 4.01Å; E643-L647 WeakPolarHBondContact O-CG 3.35Å; E643-L647 PolarHBondContact O-N 2.86Å; A644-L647 WeakPolarHBondContact O-CB 3.5Å; A644-L647 PolarHBondContact O-N 3.3Å; A644-L647 VanDerWaalsContact O-N 3.08Å; Y645-L647 PolarHBondContact O-N 3.17Å
648	C	81.6	Confident	89.7	Confident	49 Å²	49	82.1 Å²	82.1	33%	0.331	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-23.7	170.1	-68.4	0	0	0	0	112.4	V611 A644 Y645 A646	V611-C648 VanDerWaalsContact CG1-SG 3.54Å; A644-C648 PolarHBondContact O-N 3.13Å; Y645-C648 WeakPolarHBondContact O-CB 3.37Å; Y645-C648 PolarHBondContact O-N 3.36Å; A646-C648 VanDerWaalsContact C-N 3.29Å; A646-C648 PolarHBondContact O-N 3.36Å
649	D	73.2	Confident	89	Confident	149 Å²	149	82.4 Å²	82.4	80%	0.797	43%	0.426	S	S	*	.			trans	-86.1	-12.8	-178.9	-69.7	-25.6	0	0	0	112.7	A646	A646-D649 PolarHBondContact O-N 3.18Å
650	E	62.8	Low	88.3	Confident	211 Å²	211	83.4 Å²	83.4	99%	0.986	43%	0.426	S	S	*	.			trans	-87.6	0	170.2	-65.6	-172.3	167	0	0	112.1

Retrieved 650 of 650 residues in 699.9 ms (Link to these results)

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