A0A3Q0KHL0_SCHMA Loading...

Glutathione gamma-glutamylcysteinyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KHL0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 591 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	28.8	Very low	235 Å²	235	147.6 Å²	147.6	100%	1.158	86%	0.857	S	S	*	*				0	99.5	0	-78.9	176.7	172.5	0	0	107	T3	M1-T3 PolarHBondContact O-N 3.33Å
2	N	27.7	Very low	28.8	Very low	160 Å²	160	150.8 Å²	150.8	86%	0.856	85%	0.853	S	S	*	*			trans	-79.2	112.9	178.4	-75.6	-12.6	0	0	0	108.8
3	T	30.5	Very low	28.5	Very low	131 Å²	131	148.5 Å²	148.5	80%	0.804	85%	0.852	S	S	*	*			trans	-115.1	81.9	166.4	25.3	0	0	0	0	108.4	M1 L5	M1-T3 PolarHBondContact O-N 3.33Å; T3-L5 PolarHBondContact O-N 2.99Å
4	T	29.6	Very low	28.4	Very low	136 Å²	136	149.4 Å²	149.4	83%	0.834	85%	0.851	S	S	*	*			trans	-70.5	103	165.6	40.3	0	0	0	0	109.1
5	L	29	Very low	28.5	Very low	153 Å²	153	147.4 Å²	147.4	80%	0.801	84%	0.844	S	S	*	*			trans	-89.9	100.1	170.3	-92.9	154.1	0	0	0	109.1	T3	T3-L5 PolarHBondContact O-N 2.99Å
6	S	27.3	Very low	28.4	Very low	109 Å²	109	149.1 Å²	149.1	76%	0.762	85%	0.848	S	S	*	*			trans	-80.3	118	166.5	65.8	0	0	0	0	109.7
7	L	28.9	Very low	28.4	Very low	162 Å²	162	151.1 Å²	151.1	85%	0.848	85%	0.845	S	S	*	*			trans	-119.3	90.9	167	-81.5	164	0	0	0	109
8	S	26.4	Very low	28.4	Very low	120 Å²	120	150.6 Å²	150.6	84%	0.839	85%	0.846	S	S	*	*			trans	-76.5	124	162.9	57.7	0	0	0	0	109.3
9	G	29.9	Very low	28.5	Very low	72 Å²	72	153.4 Å²	153.4	74%	0.742	85%	0.849	S	S	*	*			trans	-169	63.1	-175.6	0	0	0	0	0	116.6
10	R	29.2	Very low	28.4	Very low	240 Å²	240	150.7 Å²	150.7	91%	0.906	84%	0.841	S	S	*	*			trans	48.4	103.2	143.3	-131.2	172.2	-171.1	172.8	2.1	118.4	K12	R10-K12 PolarHBondContact O-N 2.96Å
11	A	24.5	Very low	28.7	Very low	106 Å²	106	149.5 Å²	149.5	88%	0.876	84%	0.84	S	S	*	*			trans	-52.7	124	163	0	0	0	0	0	112.3
12	K	28.4	Very low	28.4	Very low	186 Å²	186	150 Å²	150	81%	0.809	83%	0.829	S	S	*	*			trans	-119.6	116.3	160.9	-85	-173.9	176	179.7	0	108.5	R10 L14	R10-K12 PolarHBondContact O-N 2.96Å; K12-L14 PolarHBondContact O-N 3.1Å
13	S	25.5	Very low	28.3	Very low	120 Å²	120	148.1 Å²	148.1	84%	0.839	83%	0.827	S	S	*	*			trans	-57	115.8	171.1	180	0	0	0	0	109.9
14	L	27.6	Very low	28.2	Very low	161 Å²	161	145.6 Å²	145.6	84%	0.843	83%	0.827	S	S	*	*			trans	-103.3	105.4	174.4	-91.7	155	0	0	0	108.4	K12 L16	K12-L14 PolarHBondContact O-N 3.1Å; L14-L16 PolarHBondContact O-N 3.37Å
15	T	29.7	Very low	28.1	Very low	120 Å²	120	147.5 Å²	147.5	74%	0.736	82%	0.824	S	S	*	*			trans	-59.7	123.7	171	21.2	0	0	0	0	110.6	K17	T15-K17 PolarHBondContact O-N 2.8Å
16	L	26.6	Very low	27.9	Very low	175 Å²	175	148.1 Å²	148.1	92%	0.916	82%	0.821	S	S	*	*			trans	-58.3	105	172.6	-86.2	105.9	0	0	0	110.2	L14	L14-L16 PolarHBondContact O-N 3.37Å
17	K	29.1	Very low	28.1	Very low	183 Å²	183	151.4 Å²	151.4	80%	0.796	83%	0.829	S	S	*	*			trans	-91.5	117.4	160.4	-81.8	-174	176.6	179.8	0	108.9	T15 F19	T15-K17 PolarHBondContact O-N 2.8Å; K17-F19 PolarHBondContact O-N 2.86Å
18	T	28.4	Very low	27.9	Very low	142 Å²	142	152.4 Å²	152.4	87%	0.871	83%	0.826	S	S	*	*			trans	-49.5	113.8	172.7	49.3	0	0	0	0	111.5
19	F	29.3	Very low	28.7	Very low	203 Å²	203	151.5 Å²	151.5	89%	0.89	82%	0.818	S	S	*	*			trans	-86	115.3	170.3	-93.9	-90.6	0	0	0	109.8	K17	K17-F19 PolarHBondContact O-N 2.86Å
20	S	27.6	Very low	28.6	Very low	100 Å²	100	155.5 Å²	155.5	70%	0.699	82%	0.817	S	S	*	*			trans	-77.9	132.1	166.8	169.3	0	0	0	0	109.4	R22	S20-R22 PolarHBondContact O-N 2.83Å
21	P	33.2	Very low	28.7	Very low	125 Å²	125	152.4 Å²	152.4	81%	0.812	82%	0.816	S	S	*	*			trans	-84	111.8	-177.3	32.2	-29.1	0	0	0	109.6
22	R	29	Very low	28.8	Very low	245 Å²	245	155.9 Å²	155.9	93%	0.925	81%	0.812	S	S	*	*			trans	-100.5	127.6	167.2	-96.4	-173.7	176.8	-171.5	-0.3	110.7	S20	S20-R22 PolarHBondContact O-N 2.83Å
23	C	24.2	Very low	28.8	Very low	122 Å²	122	149.9 Å²	149.9	82%	0.824	80%	0.803	S	S	*	*			trans	-33.4	138.8	170.6	-64.4	0	0	0	0	115.9
24	G	28.4	Very low	28.8	Very low	78 Å²	78	149.9 Å²	149.9	80%	0.804	80%	0.803	S	S	*	*			trans	-149.3	128.7	161.4	0	0	0	0	0	109.6
25	F	28	Very low	28.9	Very low	175 Å²	175	151.7 Å²	151.7	77%	0.768	80%	0.804	S	S	*	*			trans	-84.9	150.4	-159.6	-89.1	-117	0	0	0	114.8
26	F	24.5	Very low	28.9	Very low	167 Å²	167	153.4 Å²	153.4	73%	0.732	81%	0.807	S	S	*	*			trans	41.2	125.5	140.3	-78.3	-104.6	0	0	0	121.3
27	L	31	Very low	29	Very low	177 Å²	177	152.6 Å²	152.6	93%	0.927	80%	0.802	S	S	*	*				-164.7	119.9	121.6	-98.3	142.1	0	0	0	111.1
28	K	26.5	Very low	29	Very low	184 Å²	184	151.3 Å²	151.3	80%	0.8	80%	0.804	S	S	*	*			trans	-67.3	169.8	159.4	-88.6	-178.9	175.4	178.9	0	109.5
29	P	41.6	Very low	29	Very low	101 Å²	101	153 Å²	153	66%	0.656	80%	0.801	S	S	*	*			cis	-148.8	164.6	28.9	38.2	-15.4	0	0	0	119.2
30	Q	27.7	Very low	28.9	Very low	156 Å²	156	148.6 Å²	148.6	73%	0.729	79%	0.794	S	S	*	*			trans	53.5	105.6	137.8	-69.2	172.9	-33.9	0	0	120.9
31	I	31.2	Very low	29	Very low	174 Å²	174	152.1 Å²	152.1	89%	0.892	80%	0.797	S	S	*	*			trans	-127	116.5	139.7	-63.3	-179.2	0	0	0	107.3
32	F	26.7	Very low	28.7	Very low	180 Å²	180	153.3 Å²	153.3	79%	0.789	80%	0.796	S	S	*	*			trans	-71.2	123.9	171.8	-93.3	-98.7	0	0	0	109.2
33	G	28.5	Very low	28.7	Very low	60 Å²	60	151.2 Å²	151.2	62%	0.619	79%	0.79	S	S	*	*			trans	-148.9	92.7	172.2	0	0	0	0	0	109.2	F35	G33-F35 PolarHBondContact O-N 2.79Å
34	S	26.9	Very low	28.9	Very low	119 Å²	119	149.3 Å²	149.3	83%	0.832	78%	0.778	S	S	*	*			trans	-60.2	102.2	179.5	-52.7	0	0	0	0	110.9
35	F	28.4	Very low	28.9	Very low	199 Å²	199	154.8 Å²	154.8	87%	0.873	78%	0.78	S	S	*	*			trans	-106.9	120.7	165.2	-93.4	-85.7	0	0	0	110	G33 I37	G33-F35 PolarHBondContact O-N 2.79Å; F35-I37 PolarHBondContact O-N 2.82Å
36	I	29.5	Very low	28.8	Very low	156 Å²	156	157 Å²	157	80%	0.8	78%	0.783	S	S	*	*			trans	-51.2	121.3	-179.9	-66.6	167.2	0	0	0	109.4	L38	I36-L38 PolarHBondContact O-N 3.34Å
37	I	29.5	Very low	29.1	Very low	158 Å²	158	155.3 Å²	155.3	81%	0.81	78%	0.782	S	S	*	*			trans	-65.8	95.9	173	-63.2	172.4	0	0	0	107.3	F35 H39	F35-I37 PolarHBondContact O-N 2.82Å; I37-H39 PolarHBondContact O-N 3.34Å
38	L	28.4	Very low	28.9	Very low	157 Å²	157	152.4 Å²	152.4	82%	0.822	78%	0.777	S	S	*	*			trans	-62.6	112.2	163	-89.3	151.1	0	0	0	107.5	I36 C40	I36-L38 PolarHBondContact O-N 3.34Å; L38-C40 PolarHBondContact O-N 2.74Å
39	H	29.2	Very low	29.1	Very low	177 Å²	177	150.6 Å²	150.6	82%	0.819	78%	0.775	S	S	*	*			trans	-42.7	104.1	173.9	-115.2	-88.4	0	0	0	111	I37 K41	I37-H39 PolarHBondContact O-N 3.34Å; H39-K41 PolarHBondContact O-N 3.3Å
40	C	28.1	Very low	28.5	Very low	110 Å²	110	150.6 Å²	150.6	74%	0.743	78%	0.777	S	S	*	*			trans	-61.4	103.7	163.8	-80.3	0	0	0	0	108	L38 N42	L38-C40 PolarHBondContact O-N 2.74Å; C40-N42 VanDerWaalsContact C-N 3.32Å; C40-N42 PolarHBondContact O-N 3.09Å
41	K	28.2	Very low	28.8	Very low	174 Å²	174	150.5 Å²	150.5	76%	0.757	78%	0.781	S	S	*	*			trans	-64.6	95.2	165.1	-76.6	-177.5	175.2	179.2	0	107.9	H39 Y43	H39-K41 PolarHBondContact O-N 3.3Å; K41-Y43 HydrophobicContact CB-CE2 4.46Å; K41-Y43 PolarHBondContact O-N 2.78Å
42	N	28	Very low	28.8	Very low	150 Å²	150	149.6 Å²	149.6	80%	0.802	78%	0.777	S	S	*	*			trans	-62	102.4	164.6	-84.7	-25.3	0	0	0	108.2	C40 S44	C40-N42 VanDerWaalsContact C-N 3.32Å; C40-N42 PolarHBondContact O-N 3.09Å; N42-S44 PolarHBondContact O-N 3.17Å
43	Y	28	Very low	28.9	Very low	201 Å²	201	152.2 Å²	152.2	79%	0.788	78%	0.781	S	S	*	*			trans	-71.1	84.6	163.9	-78.5	-87.8	0	0	0	108.2	K41 F45	K41-Y43 HydrophobicContact CB-CE2 4.46Å; K41-Y43 PolarHBondContact O-N 2.78Å; Y43-F45 PolarHBondContact O-N 3Å; Y43-F45 VanDerWaalsContact O-N 3.15Å
44	S	28.2	Very low	29	Very low	83 Å²	83	155.8 Å²	155.8	58%	0.58	79%	0.786	S	S	*	*			trans	-72.8	102	161.9	63.2	0	0	0	0	107.5	N42 W46	N42-S44 PolarHBondContact O-N 3.17Å; S44-W46 PolarHBondContact O-N 2.99Å; S44-W46 PolarHBondContact OG-NE1 2.83Å
45	F	28	Very low	29.6	Very low	193 Å²	193	155 Å²	155	85%	0.846	78%	0.778	S	S	*	*			trans	-61.2	87.9	166.2	-116.1	-98.1	0	0	0	108.1	Y43 N47	Y43-F45 PolarHBondContact O-N 3Å; Y43-F45 VanDerWaalsContact O-N 3.15Å; F45-N47 PolarHBondContact O-N 3.14Å
46	W	27.3	Very low	29.7	Very low	220 Å²	220	151.1 Å²	151.1	83%	0.833	77%	0.767	S	S	*	*			trans	-76.6	104.8	166.5	-81	83.4	0	0	0	107.3	S44 S48	S44-W46 PolarHBondContact O-N 2.99Å; S44-W46 PolarHBondContact OG-NE1 2.83Å; W46-S48 PolarHBondContact O-N 3.2Å
47	N	29.7	Very low	29.8	Very low	133 Å²	133	153.6 Å²	153.6	71%	0.711	77%	0.772	S	S	*	*			trans	-51.7	101	162.5	-81.5	-26	0	0	0	108.5	F45 L49	F45-N47 PolarHBondContact O-N 3.14Å; N47-L49 PolarHBondContact O-N 2.77Å
48	S	28.5	Very low	30	Very low	116 Å²	116	154.9 Å²	154.9	81%	0.811	77%	0.772	S	S	*	*			trans	-71.9	75.6	166.1	-173.4	0	0	0	0	108	W46 S50	W46-S48 PolarHBondContact O-N 3.2Å; S48-S50 VanDerWaalsContact C-N 3.32Å; S48-S50 PolarHBondContact O-N 2.87Å
49	L	30.3	Very low	30.1	Very low	145 Å²	145	155.6 Å²	155.6	76%	0.759	78%	0.776	S	S	*	*			trans	-72.9	98.9	155.5	-87.8	155.8	0	0	0	105.4	N47 L51	N47-L49 PolarHBondContact O-N 2.77Å; L49-L51 PolarHBondContact O-N 2.9Å
50	S	29.4	Very low	30.1	Very low	101 Å²	101	158.9 Å²	158.9	71%	0.706	78%	0.781	S	S	*	*			trans	-59.4	84.1	167.5	50.2	0	0	0	0	109.1	S48 I52	S48-S50 VanDerWaalsContact C-N 3.32Å; S48-S50 PolarHBondContact O-N 2.87Å; S50-I52 VanDerWaalsContact C-N 3.34Å; S50-I52 PolarHBondContact O-N 2.78Å
51	L	32.1	Very low	30.4	Very low	154 Å²	154	160.7 Å²	160.7	81%	0.806	78%	0.783	S	S	*	*			trans	-66.4	98	165.6	-81.1	162.4	0	0	0	107	L49 R53	L49-L51 PolarHBondContact O-N 2.9Å; L51-R53 PolarHBondContact O-N 2.78Å
52	I	31.7	Very low	31	Very low	156 Å²	156	157.7 Å²	157.7	80%	0.8	78%	0.782	S	S	*	*			trans	-57.9	93	163.1	-63.8	172.2	0	0	0	106.3	S50 N54	S50-I52 VanDerWaalsContact C-N 3.34Å; S50-I52 PolarHBondContact O-N 2.78Å; I52-N54 PolarHBondContact O-N 3.18Å
53	R	29.8	Very low	31.2	Very low	234 Å²	234	157.9 Å²	157.9	88%	0.883	78%	0.782	S	S	*	*			trans	-67.2	103.3	167.1	-85.6	-178.1	174.4	-172.2	-1.5	107.3	L51 P55	L51-R53 PolarHBondContact O-N 2.78Å; R53-P55 WeakPolarHBondContact O-CD 3.5Å
54	N	30	Very low	31.6	Very low	135 Å²	135	157.7 Å²	157.7	72%	0.722	79%	0.789	S	S	*	*			trans	-92.9	107.7	162.1	-154.8	-17	0	0	0	107.7	I52 N56	I52-N54 PolarHBondContact O-N 3.18Å; N54-N56 PolarHBondContact O-N 3.35Å
55	P	39.7	Very low	31.8	Very low	102 Å²	102	159.2 Å²	159.2	66%	0.662	80%	0.799	S	S	*	*			trans	-92.3	89.3	-169.8	34.9	-27.8	0	0	0	109.4	R53	R53-P55 WeakPolarHBondContact O-CD 3.5Å
56	N	30.6	Very low	32.1	Very low	119 Å²	119	158.2 Å²	158.2	64%	0.636	80%	0.799	S	S	*	*			trans	-147.2	76.6	167.5	-82.1	-45.4	0	0	0	109.1	N54	N54-N56 PolarHBondContact O-N 3.35Å
57	F	30.9	Very low	32.5	Very low	207 Å²	207	153 Å²	153	91%	0.908	80%	0.797	S	S	*	*			trans	-131.1	85.4	161.9	-128.5	-93.2	0	0	0	108.5	L59	F57-L59 PolarHBondContact O-N 3.39Å
58	F	34.1	Very low	33.1	Very low	185 Å²	185	150.5 Å²	150.5	81%	0.811	79%	0.794	S	S	*	*			trans	-66.5	117.2	169	-85.1	-88.5	0	0	0	108.9	R60	F58-R60 PolarHBondContact O-N 3.38Å
59	L	30.4	Very low	33.7	Very low	173 Å²	173	152 Å²	152	91%	0.906	80%	0.799	S	S	*	*			trans	-62.8	117.5	165.2	-69.5	162.6	0	0	0	108.5	F57	F57-L59 PolarHBondContact O-N 3.39Å
60	R	30.3	Very low	34.1	Very low	245 Å²	245	150.2 Å²	150.2	93%	0.925	80%	0.797	S	S	*	*			trans	-128.4	111.3	166.8	-133.4	-179.9	-169.2	-160.1	2.8	111.9	F58	F58-R60 PolarHBondContact O-N 3.38Å
61	N	32.8	Very low	34.9	Very low	149 Å²	149	152.9 Å²	152.9	80%	0.797	80%	0.803	S	S	*	*			trans	-2.3	123.1	163.2	-137.2	-10.4	0	0	0	118.3	N63	N61-N63 PolarHBondContact O-N 2.98Å
62	P	40.8	Very low	35.5	Very low	111 Å²	111	149.6 Å²	149.6	72%	0.721	80%	0.799	S	S	*	*	S	Bend	trans	-85.5	103.1	173.1	32.6	-26.4	0	0	0	108.9
63	N	33.5	Very low	36.3	Very low	153 Å²	153	147.5 Å²	147.5	82%	0.818	80%	0.795	S	S	*	*			trans	-178.7	86.2	155.7	-89.5	-22.5	0	0	0	108.1	N61	N61-N63 PolarHBondContact O-N 2.98Å
64	Q	35.8	Very low	37.2	Very low	197 Å²	197	145.9 Å²	145.9	92%	0.921	79%	0.794	S	S	*	*			trans	-162.1	96.2	153.2	-109.5	162.1	29.1	0	0	108.9
65	S	33.1	Very low	38.1	Very low	115 Å²	115	148.7 Å²	148.7	80%	0.804	80%	0.8	S	S	*	*			trans	-63.6	128.7	152.1	50	0	0	0	0	107.8
66	M	32.9	Very low	38.6	Very low	172 Å²	172	152.7 Å²	152.7	85%	0.847	81%	0.81	S	S	*	*			trans	-175.1	132.5	135.7	-94.1	-151.3	77.6	0	0	108.8	A68	M66-A68 PolarHBondContact O-N 3.48Å
67	S	37.2	Very low	39.8	Very low	111 Å²	111	152.6 Å²	152.6	78%	0.776	81%	0.814	S	S	*	*			trans	-52.5	116.3	174.8	51	0	0	0	0	112.5
68	A	40.3	Very low	41.1	Very low	80 Å²	80	149.9 Å²	149.9	66%	0.661	81%	0.809	S	S	*	*			trans	-141.5	119.1	156.5	0	0	0	0	0	107.9	M66 C70	M66-A68 PolarHBondContact O-N 3.48Å; A68-C70 PolarHBondContact O-N 3.45Å
69	V	41.5	Very low	42.4	Very low	149 Å²	149	146.9 Å²	146.9	90%	0.903	81%	0.806	S	S	*	*			trans	-63	97.7	173	176.1	0	0	0	0	106.8
70	C	39.9	Very low	43.9	Very low	107 Å²	107	146 Å²	146	72%	0.723	80%	0.799	S	S	*	*			trans	-108.5	114.6	172.7	-65.1	0	0	0	0	107.3	A68 A72	A68-C70 PolarHBondContact O-N 3.45Å; C70-A72 PolarHBondContact O-N 2.9Å; C70-A72 VanDerWaalsContact O-N 3.1Å
71	D	45.1	Very low	45.6	Very low	156 Å²	156	139.7 Å²	139.7	83%	0.834	79%	0.79	S	S	*	*			trans	-41.3	113.9	176.4	-72.7	-52.2	0	0	0	111.2	P73	D71-P73 WeakPolarHBondContact O-CD 3.5Å
72	A	45.7	Very low	47.3	Very low	86 Å²	86	142.3 Å²	142.3	71%	0.711	79%	0.794	S	S	*	*			trans	-57.3	122.6	174.9	0	0	0	0	0	108	C70 K74	C70-A72 PolarHBondContact O-N 2.9Å; C70-A72 VanDerWaalsContact O-N 3.1Å; A72-K74 PolarHBondContact O-N 3.21Å
73	P	46.9	Very low	49.1	Very low	112 Å²	112	142.8 Å²	142.8	73%	0.727	80%	0.795	S	S	*	*			trans	-61.4	115.9	177.5	23.5	-29.1	0	0	0	106.8	D71 F75	D71-P73 WeakPolarHBondContact O-CD 3.5Å; P73-F75 PolarHBondContact O-N 2.84Å
74	K	48.9	Very low	51.6	Low	200 Å²	200	143 Å²	143	87%	0.87	79%	0.791	S	S	*	*			trans	-51.8	107	172.8	-71.6	178.2	179.5	176.3	0	106.4	A72 Q76	A72-K74 PolarHBondContact O-N 3.21Å; K74-Q76 VanDerWaalsContact C-N 3.27Å; K74-Q76 PolarHBondContact O-N 3.41Å
75	F	49.8	Very low	54.2	Low	193 Å²	193	141.6 Å²	141.6	85%	0.846	78%	0.784	S	S	*	*			trans	-55	101.4	166.2	-92.6	-95.2	0	0	0	105.6	P73 T77	P73-F75 PolarHBondContact O-N 2.84Å; F75-T77 PolarHBondContact O-N 3.17Å
76	Q	50.3	Low	56.9	Low	186 Å²	186	142.1 Å²	142.1	87%	0.869	77%	0.772	S	S	*	*			trans	-61.3	95.3	161.9	-88.8	177.7	-25.8	0	0	104.2	K74 D78	K74-Q76 VanDerWaalsContact C-N 3.27Å; K74-Q76 PolarHBondContact O-N 3.41Å; Q76-D78 PolarHBondContact O-N 2.93Å
77	T	55.5	Low	59.8	Low	117 Å²	117	142.9 Å²	142.9	72%	0.718	77%	0.767	S	S	*	*			trans	-64.3	87.5	163.2	53	0	0	0	0	104.6	F75 V79	F75-T77 PolarHBondContact O-N 3.17Å; T77-V79 WeakPolarHBondContact O-CG2 3.45Å; T77-V79 PolarHBondContact O-N 2.91Å
78	D	59	Low	62.5	Low	151 Å²	151	144.2 Å²	144.2	81%	0.807	76%	0.755	S	S	*	*			trans	-56	101.1	167.6	-146.8	0.2	0	0	0	104.1	Q76 M80	Q76-D78 PolarHBondContact O-N 2.93Å; D78-M80 PolarHBondContact O-N 3.34Å
79	V	59.8	Low	65.1	Low	121 Å²	121	144.7 Å²	144.7	73%	0.733	74%	0.74	S	S	*	*			trans	-65.5	95.4	-174.6	176.2	0	0	0	0	104.3	T77 P81	T77-V79 WeakPolarHBondContact O-CG2 3.45Å; T77-V79 PolarHBondContact O-N 2.91Å; V79-P81 VanDerWaalsContact O-N 3.08Å
80	M	62.5	Low	67.7	Low	154 Å²	154	143.2 Å²	143.2	76%	0.759	73%	0.733	S	S	*	*			trans	-49.2	125.1	177.9	-71.7	-164.9	75	0	0	106.6	D78 K82	D78-M80 PolarHBondContact O-N 3.34Å; M80-K82 PolarHBondContact O-N 3.22Å; M80-K82 VanDerWaalsContact O-N 3.09Å
81	P	66	Low	70.4	Confident	113 Å²	113	139.6 Å²	139.6	73%	0.734	71%	0.706	S	S	*	*			trans	-52.3	126.8	-176.6	18.1	-29.4	0	0	0	107.4	V79 V83	V79-P81 VanDerWaalsContact O-N 3.08Å; P81-V83 PolarHBondContact O-N 3.5Å
82	K	69.8	Low	72.9	Confident	205 Å²	205	133.1 Å²	133.1	89%	0.891	67%	0.673	S	S	*	*			trans	-47.9	105.5	-178.8	-95.7	-177.4	174.6	177.7	0	107.9	M80 Q84	M80-K82 PolarHBondContact O-N 3.22Å; M80-K82 VanDerWaalsContact O-N 3.09Å; K82-Q84 PolarHBondContact O-N 2.86Å
83	V	77.4	Confident	75.2	Confident	121 Å²	121	141.2 Å²	141.2	73%	0.733	69%	0.685	S	S	*	*			trans	-64.8	110.4	178.5	179.2	0	0	0	0	105.7	P81 E85	P81-V83 PolarHBondContact O-N 3.5Å; V83-E85 PolarHBondContact O-N 2.82Å; V83-E85 VanDerWaalsContact O-N 3.14Å
84	Q	86.5	Confident	77.5	Confident	157 Å²	157	138.8 Å²	138.8	73%	0.734	66%	0.664	S	S	*	*			trans	-75	106.3	179.1	-172.4	172.5	27.3	0	0	108.1	K82 F86	K82-Q84 PolarHBondContact O-N 2.86Å; Q84-F86 HydrophobicContact CG-CE1 4.24Å; Q84-F86 HydrophobicContact CG-CE2 3.86Å; Q84-F86 HydrophobicContact CG-CZ 3.61Å; Q84-F86 VanDerWaalsContact NE2-CZ 3.32Å
85	E	90.5	Very high	79.9	Confident	168 Å²	168	129.4 Å²	129.4	79%	0.785	62%	0.623	S	S	*	*			trans	-109.4	152.5	176.3	62.3	179.2	-161.5	0	0	111.3	V83	V83-E85 PolarHBondContact O-N 2.82Å; V83-E85 VanDerWaalsContact O-N 3.14Å
86	F	89.6	Confident	82.2	Confident	125 Å²	125	121.3 Å²	121.3	55%	0.548	59%	0.589	S	S	.	*			trans	-132.9	128.9	177.5	-61.1	-68.8	0	0	0	110.3	Q84 R89	Q84-F86 HydrophobicContact CG-CE1 4.24Å; Q84-F86 HydrophobicContact CG-CE2 3.86Å; Q84-F86 HydrophobicContact CG-CZ 3.61Å; Q84-F86 VanDerWaalsContact NE2-CZ 3.32Å; F86-R89 VanDerWaalsContact CZ-NH2 3.35Å
87	Y	93	Very high	84.5	Confident	189 Å²	189	114.7 Å²	114.7	74%	0.741	56%	0.562	S	S	*	*			trans	-115.4	100.5	168.8	179.7	-102.3	0	0	0	109.3
88	R	94.7	Very high	86.5	Confident	138 Å²	138	111.2 Å²	111.2	52%	0.521	54%	0.537	S	S	.	.			trans	56.4	179	-176.7	-59	180	175.3	174.4	1.6	113.4	F264 K265	R88-F264 WeakPolarHBondContact CA-O 3.47Å; R88-F264 PolarHBondContact N-O 3.3Å; R88-F264 VanDerWaalsContact N-O 3.1Å; R88-K265 CarbonylContact C-O 3.42Å; R88-K265 WeakPolarHBondContact CA-O 3.09Å
89	R	94.9	Very high	88.4	Confident	91 Å²	91	107.9 Å²	107.9	34%	0.343	53%	0.525	S	S	.	.			trans	-137.7	146.8	168.3	-66.3	-64.6	-175.6	143.6	7.8	108.5	F86 L91 K265 Y266	F86-R89 VanDerWaalsContact CZ-NH2 3.35Å; R89-L91 PolarHBondContact O-N 3.44Å; R89-K265 HydrophobicContact CB-CG 4.28Å; R89-K265 HydrophobicContact CG-CG 3.95Å; R89-K265 PolarHBondContact N-O 3.06Å; R89-Y266 HydrophobicContact CB-CD1 4.29Å; R89-Y266 HydrophobicContact CB-CE1 3.48Å; R89-Y266 VanDerWaalsContact CB-CE1 3.48Å; R89-Y266 WeakPolarHBondContact O-CD1 3.23Å; R89-Y266 WeakPolarHBondContact O-CE1 3.25Å
90	P	95.6	Very high	90.2	Very high	117 Å²	117	103.3 Å²	103.3	76%	0.76	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-64.5	134.6	172.1	27.8	-33.2	0	0	0	109.5	Y266	P90-Y266 WeakPolarHBondContact O-CE1 3.42Å
91	L	97.1	Very high	91.9	Very high	31 Å²	31	101.5 Å²	101.5	16%	0.162	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-65.4	144.7	170.1	-82.5	168.7	0	0	0	109.6	R89 C95 P97 Y266 P267 H269	R89-L91 PolarHBondContact O-N 3.44Å; L91-C95 HydrophobicContact CB-CB 4.16Å; L91-C95 HydrophobicContact CD2-CB 3.93Å; L91-C95 HydrophobicContact CG-CB 4.44Å; L91-P97 HydrophobicContact CD1-CB 4.22Å; L91-P97 HydrophobicContact CD1-CG 3.96Å; L91-Y266 HydrophobicContact CD2-CD1 3.5Å; L91-Y266 VanDerWaalsContact CD2-CD1 3.5Å; L91-Y266 HydrophobicContact CD2-CE1 4.06Å; L91-Y266 HydrophobicContact CD2-CG 3.95Å; L91-Y266 HydrophobicContact CG-CD1 3.8Å; L91-Y266 HydrophobicContact CG-CE1 4.41Å; L91-P267 HydrophobicContact CD1-CG 3.77Å; L91-H269 HydrophobicContact CD1-CB 3.61Å
92	P	97	Very high	93.4	Very high	21 Å²	21	100.9 Å²	100.9	14%	0.136	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-55.9	150.8	168.9	-25.2	36.9	0	0	0	111	H94 C95 G236 Q237	P92-H94 VanDerWaalsContact CB-CE1 3.47Å; P92-H94 WeakPolarHBondContact CB-CE1 3.2Å; P92-H94 PolarHBondContact O-N 3.28Å; P92-C95 PolarHBondContact O-N 2.78Å; P92-G236 VanDerWaalsContact CG-C 3.45Å; P92-G236 VanDerWaalsContact CG-O 3.23Å; P92-G236 WeakPolarHBondContact CG-O 2.94Å; P92-Q237 HydrophobicContact CG-CG 3.8Å
93	R	95	Very high	94.8	Very high	255 Å²	255	91.1 Å²	91.1	96%	0.962	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.4	-175.5	-67.9	-176.1	-179.9	179.2	-0.1	114.2	C95	R93-C95 VanDerWaalsContact C-N 3.34Å
94	H	95.4	Very high	95.8	Very high	62 Å²	62	90.7 Å²	90.7	29%	0.287	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	2.5	177.3	59.6	-99.4	0	0	0	114.2	P92 L235 K275	P92-H94 VanDerWaalsContact CB-CE1 3.47Å; P92-H94 WeakPolarHBondContact CB-CE1 3.2Å; P92-H94 PolarHBondContact O-N 3.28Å; H94-L235 PolarHBondContact CE1-O 3.14Å; H94-L235 PolarHBondContact NE2-O 3.13Å; H94-K275 HydrophobicContact CB-CD 4.38Å; H94-K275 PolarHBondContact ND1-NZ 3Å; H94-K275 VanDerWaalsContact ND1-NZ 3.19Å
95	C	98.1	Very high	96.4	Very high	3 Å²	3	87.3 Å²	87.3	2%	0.02	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	113.8	171.6	-63.8	0	0	0	0	108.6	L91 P92 R93 P97 W270	L91-C95 HydrophobicContact CB-CB 4.16Å; L91-C95 HydrophobicContact CD2-CB 3.93Å; L91-C95 HydrophobicContact CG-CB 4.44Å; P92-C95 PolarHBondContact O-N 2.78Å; R93-C95 VanDerWaalsContact C-N 3.34Å; C95-P97 WeakPolarHBondContact O-CD 3.48Å; C95-W270 CarbonylContact C-O 3.56Å; C95-W270 WeakPolarHBondContact CA-O 3.21Å
96	I	98.6	Very high	96.8	Very high	23 Å²	23	79.3 Å²	79.3	12%	0.118	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	117.6	-171.7	-56.4	165.3	0	0	0	108.9	F98 E102 I106 L255 H269 W270	I96-F98 PolarHBondContact O-N 3.16Å; I96-E102 HydrophobicContact CD1-CG 4.36Å; I96-E102 HydrophobicContact CG2-CB 4.13Å; I96-E102 HydrophobicContact CG2-CG 4.08Å; I96-I106 HydrophobicContact CD1-CD1 3.61Å; I96-I106 HydrophobicContact CG2-CD1 4.24Å; I96-L255 HydrophobicContact CD1-CD1 4.1Å; I96-H269 CarbonylContact O-C 3.24Å; I96-H269 VanDerWaalsContact O-CA 3.27Å; I96-H269 WeakPolarHBondContact O-CA 3.16Å; I96-H269 WeakPolarHBondContact O-CB 3.12Å; I96-W270 HydrophobicContact CB-CB 4.2Å; I96-W270 PolarHBondContact N-O 3.33Å; I96-W270 PolarHBondContact O-N 2.92Å
97	P	98.4	Very high	97.2	Very high	46 Å²	46	75.1 Å²	75.1	30%	0.299	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	134.7	178.3	-18	27.8	0	0	0	111.2	L91 C95 S99 S100 P267	L91-P97 HydrophobicContact CD1-CB 4.22Å; L91-P97 HydrophobicContact CD1-CG 3.96Å; C95-P97 WeakPolarHBondContact O-CD 3.48Å; P97-S99 VanDerWaalsContact C-N 3.26Å; P97-S99 PolarHBondContact O-N 3.01Å; P97-S100 WeakPolarHBondContact O-CB 3.41Å; P97-S100 PolarHBondContact O-N 2.84Å; P97-S100 VanDerWaalsContact O-N 3.08Å; P97-S100 PolarHBondContact O-OG 3.45Å; P97-P267 HydrophobicContact CB-CG 4.38Å
98	F	98.3	Very high	97.5	Very high	44 Å²	44	73 Å²	73	19%	0.193	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-41.7	-178.9	-178.6	-118.4	0	0	0	113.3	I96 S100 G103 K104 F107 Y119 F257 P268 W270	I96-F98 PolarHBondContact O-N 3.16Å; F98-S100 VanDerWaalsContact C-N 3.27Å; F98-S100 PolarHBondContact O-N 2.85Å; F98-G103 CarbonylContact O-C 3.57Å; F98-K104 PolarHBondContact O-N 2.74Å; F98-F107 HydrophobicContact CE2-CB 4.06Å; F98-F107 AromaticContact CE2-CD2 3.58Å; F98-F107 HydrophobicContact CE2-CD2 3.58Å; F98-F107 HydrophobicContact CE2-CE2 4.29Å; F98-F107 HydrophobicContact CE2-CG 4Å; F98-F107 AromaticContact CZ-CD2 3.9Å; F98-F107 HydrophobicContact CZ-CD2 3.9Å; F98-F107 HydrophobicContact CZ-CE2 4.22Å; F98-F107 HydrophobicContact CZ-CG 4.34Å; F98-Y119 HydrophobicContact CE1-CE2 4.26Å; F98-Y119 HydrophobicContact CE2-CE2 4.27Å; F98-Y119 AromaticContact CZ-CE2 3.69Å; F98-Y119 HydrophobicContact CZ-CE2 3.69Å; F98-Y119 AromaticContact CZ-CZ 3.91Å; F98-F257 HydrophobicContact CB-CE2 3.81Å; F98-F257 HydrophobicContact CB-CZ 4.48Å; F98-F257 HydrophobicContact CD1-CE2 4.49Å; F98-F257 HydrophobicContact CD1-CZ 4.42Å; F98-F257 AromaticContact CD2-CD2 3.95Å; F98-F257 HydrophobicContact CD2-CD2 3.95Å; F98-F257 AromaticContact CD2-CE2 3.34Å; F98-F257 HydrophobicContact CD2-CE2 3.34Å; F98-F257 AromaticContact CD2-CZ 3.77Å; F98-F257 HydrophobicContact CD2-CZ 3.77Å; F98-F257 HydrophobicContact CE2-CE2 4.01Å; F98-F257 HydrophobicContact CE2-CZ 4.06Å; F98-F257 AromaticContact CG-CE2 3.63Å; F98-F257 HydrophobicContact CG-CE2 3.63Å; F98-F257 AromaticContact CG-CZ 3.98Å; F98-F257 HydrophobicContact CG-CZ 3.98Å; F98-F257 HydrophobicContact CZ-CZ 4.5Å; F98-P268 HydrophobicContact CB-CB 4.13Å; F98-P268 WeakPolarHBondContact CB-O 3.37Å; F98-P268 PolarHBondContact N-O 3.18Å; F98-W270 AromaticContact CD2-NE1 3.97Å
99	S	97.2	Very high	97.7	Very high	81 Å²	81	69.2 Å²	69.2	57%	0.566	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-3.7	-176.6	60.8	0	0	0	0	114.4	P97 K104	P97-S99 VanDerWaalsContact C-N 3.26Å; P97-S99 PolarHBondContact O-N 3.01Å; S99-K104 WeakPolarHBondContact O-CE 3.44Å
100	S	98.3	Very high	97.9	Very high	26 Å²	26	64.9 Å²	64.9	18%	0.182	32%	0.322	C	S	.	.	S	Bend	trans	-69.8	158.7	176.5	69.3	0	0	0	0	111.3	P97 F98 E102 G103 K104	P97-S100 WeakPolarHBondContact O-CB 3.41Å; P97-S100 PolarHBondContact O-N 2.84Å; P97-S100 VanDerWaalsContact O-N 3.08Å; P97-S100 PolarHBondContact O-OG 3.45Å; F98-S100 VanDerWaalsContact C-N 3.27Å; F98-S100 PolarHBondContact O-N 2.85Å; S100-E102 PolarHBondContact O-N 3.1Å; S100-G103 PolarHBondContact O-N 3.23Å; S100-G103 PolarHBondContact OG-N 3.42Å; S100-K104 WeakPolarHBondContact O-CG 3.38Å; S100-K104 PolarHBondContact O-N 2.88Å
101	P	98.6	Very high	98	Very high	116 Å²	116	62.1 Å²	62.1	75%	0.753	30%	0.301	S	S	*	.	H	α-helix	trans	-53.1	-42.4	174	-27.5	35.9	0	0	0	112.8	H105	P101-H105 PolarHBondContact O-N 2.83Å; P101-H105 VanDerWaalsContact O-N 3.13Å
102	E	98.5	Very high	98	Very high	100 Å²	100	68.1 Å²	68.1	47%	0.467	33%	0.332	S	S	.	.	H	α-helix	trans	-66.4	-47.5	176.1	-174.6	174.3	-169.8	0	0	111.8	I96 S100 K104 H105 I106	I96-E102 HydrophobicContact CD1-CG 4.36Å; I96-E102 HydrophobicContact CG2-CB 4.13Å; I96-E102 HydrophobicContact CG2-CG 4.08Å; S100-E102 PolarHBondContact O-N 3.1Å; E102-K104 VanDerWaalsContact C-N 3.28Å; E102-K104 PolarHBondContact O-N 3.16Å; E102-H105 WeakPolarHBondContact O-CA 3.47Å; E102-H105 WeakPolarHBondContact O-CB 3.37Å; E102-H105 PolarHBondContact O-N 3.27Å; E102-I106 HydrophobicContact CG-CD1 3.87Å; E102-I106 HydrophobicContact CG-CG1 4.45Å; E102-I106 WeakPolarHBondContact O-CG1 3.32Å; E102-I106 PolarHBondContact O-N 2.86Å
103	G	98.6	Very high	98	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-58.7	-37	177.8	0	0	0	0	0	113.6	F98 S100 F107 W270	F98-G103 CarbonylContact O-C 3.57Å; S100-G103 PolarHBondContact O-N 3.23Å; S100-G103 PolarHBondContact OG-N 3.42Å; G103-F107 WeakPolarHBondContact O-CB 3.44Å; G103-F107 PolarHBondContact O-N 3.35Å; G103-W270 PolarHBondContact O-NE1 2.84Å
104	K	98.7	Very high	98	Very high	111 Å²	111	58.6 Å²	58.6	48%	0.483	31%	0.31	S	S	.	.	H	α-helix	trans	-69.6	-33.9	173.3	-69	175.3	-176.7	177.5	0	112.6	F98 S99 S100 E102 R108	F98-K104 PolarHBondContact O-N 2.74Å; S99-K104 WeakPolarHBondContact O-CE 3.44Å; S100-K104 WeakPolarHBondContact O-CG 3.38Å; S100-K104 PolarHBondContact O-N 2.88Å; E102-K104 VanDerWaalsContact C-N 3.28Å; E102-K104 PolarHBondContact O-N 3.16Å; K104-R108 WeakPolarHBondContact O-CG 3.23Å; K104-R108 PolarHBondContact O-N 2.84Å; K104-R108 PolarHBondContact O-NH1 3.26Å
105	H	98.7	Very high	98.1	Very high	87 Å²	87	57.2 Å²	57.2	40%	0.403	30%	0.303	S	S	.	.	H	α-helix	trans	-68.3	-49	176.4	-179.2	47	0	0	0	110.5	P101 E102 F107 R108 E109 R253	P101-H105 PolarHBondContact O-N 2.83Å; P101-H105 VanDerWaalsContact O-N 3.13Å; E102-H105 WeakPolarHBondContact O-CA 3.47Å; E102-H105 WeakPolarHBondContact O-CB 3.37Å; E102-H105 PolarHBondContact O-N 3.27Å; H105-F107 VanDerWaalsContact C-N 3.29Å; H105-F107 PolarHBondContact O-N 3.33Å; H105-R108 PolarHBondContact O-N 3.4Å; H105-E109 IonicContact CD2-OE1 3.37Å; H105-E109 IonicContact CE1-OE1 3.05Å; H105-E109 PolarHBondContact CE1-OE1 2.92Å; H105-E109 IonicContact ND1-OE1 2.57Å; H105-E109 IonicContact NE2-OE1 3.75Å; H105-E109 PolarHBondContact NE2-OE1 3.04Å; H105-E109 VanDerWaalsContact NE2-OE1 3.13Å; H105-E109 PolarHBondContact O-N 2.78Å; H105-E109 VanDerWaalsContact O-N 3.15Å; H105-R253 PolarHBondContact CD2-NH2 3.08Å; H105-R253 PolarHBondContact NE2-NH2 3.06Å
106	I	98.8	Very high	98.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-55.3	-44.1	174.2	-63.6	163.6	0	0	0	110.8	I96 E102 R108 E109 A110 H250 L255 W270	I96-I106 HydrophobicContact CD1-CD1 3.61Å; I96-I106 HydrophobicContact CG2-CD1 4.24Å; E102-I106 HydrophobicContact CG-CD1 3.87Å; E102-I106 HydrophobicContact CG-CG1 4.45Å; E102-I106 WeakPolarHBondContact O-CG1 3.32Å; E102-I106 PolarHBondContact O-N 2.86Å; I106-R108 VanDerWaalsContact C-N 3.33Å; I106-R108 PolarHBondContact O-N 3.14Å; I106-E109 PolarHBondContact O-N 2.96Å; I106-A110 VanDerWaalsContact O-CB 3.31Å; I106-A110 WeakPolarHBondContact O-CB 3.42Å; I106-A110 PolarHBondContact O-N 3.3Å; I106-H250 HydrophobicContact CG2-CB 4.06Å; I106-L255 HydrophobicContact CD1-CD1 3.63Å; I106-L255 HydrophobicContact CG1-CD1 4.29Å; I106-L255 HydrophobicContact CG2-CD1 4.08Å; I106-W270 HydrophobicContact CB-CD2 4.47Å; I106-W270 HydrophobicContact CB-CZ2 4.31Å; I106-W270 HydrophobicContact CG2-CD2 3.56Å; I106-W270 VanDerWaalsContact CG2-CE2 3.46Å; I106-W270 HydrophobicContact CG2-CE3 3.76Å; I106-W270 HydrophobicContact CG2-CG 4.14Å; I106-W270 HydrophobicContact CG2-CH2 3.78Å; I106-W270 HydrophobicContact CG2-CZ2 3.62Å; I106-W270 HydrophobicContact CG2-CZ3 3.86Å
107	F	98.7	Very high	98	Very high	37 Å²	37	59.6 Å²	59.6	16%	0.162	31%	0.314	C	S	.	.	H	α-helix	trans	-58.3	-41.7	176.6	176.2	-93.5	0	0	0	113.1	F98 G103 H105 L111 M116 Y119 W270	F98-F107 HydrophobicContact CE2-CB 4.06Å; F98-F107 AromaticContact CE2-CD2 3.58Å; F98-F107 HydrophobicContact CE2-CD2 3.58Å; F98-F107 HydrophobicContact CE2-CE2 4.29Å; F98-F107 HydrophobicContact CE2-CG 4Å; F98-F107 AromaticContact CZ-CD2 3.9Å; F98-F107 HydrophobicContact CZ-CD2 3.9Å; F98-F107 HydrophobicContact CZ-CE2 4.22Å; F98-F107 HydrophobicContact CZ-CG 4.34Å; G103-F107 WeakPolarHBondContact O-CB 3.44Å; G103-F107 PolarHBondContact O-N 3.35Å; H105-F107 VanDerWaalsContact C-N 3.29Å; H105-F107 PolarHBondContact O-N 3.33Å; F107-L111 HydrophobicContact CE1-CD2 4.1Å; F107-L111 HydrophobicContact CZ-CD2 4.45Å; F107-L111 VanDerWaalsContact O-CB 3.23Å; F107-L111 WeakPolarHBondContact O-CB 3.45Å; F107-L111 PolarHBondContact O-N 2.93Å; F107-M116 HydrophobicContact CD2-CE 3.47Å; F107-M116 VanDerWaalsContact CD2-CE 3.47Å; F107-M116 HydrophobicContact CD2-CG 4.38Å; F107-M116 HydrophobicContact CD2-SD 4.25Å; F107-M116 HydrophobicContact CE2-CE 3.52Å; F107-M116 HydrophobicContact CE2-CG 4.42Å; F107-Y119 AromaticContact CE2-CD1 3.85Å; F107-Y119 HydrophobicContact CE2-CD1 3.85Å; F107-Y119 AromaticContact CE2-CD2 3.95Å; F107-Y119 HydrophobicContact CE2-CD2 3.95Å; F107-Y119 AromaticContact CE2-CE1 3.89Å; F107-Y119 HydrophobicContact CE2-CE1 3.89Å; F107-Y119 AromaticContact CE2-CE2 3.98Å; F107-Y119 HydrophobicContact CE2-CE2 3.98Å; F107-Y119 AromaticContact CE2-CG 3.9Å; F107-Y119 HydrophobicContact CE2-CG 3.9Å; F107-Y119 AromaticContact CE2-CZ 3.96Å; F107-Y119 HydrophobicContact CZ-CD1 4.09Å; F107-Y119 AromaticContact CZ-CE1 3.98Å; F107-Y119 HydrophobicContact CZ-CE1 3.98Å; F107-W270 HydrophobicContact CB-CZ2 4.13Å
108	R	98.6	Very high	97.8	Very high	143 Å²	143	57.9 Å²	57.9	54%	0.54	30%	0.302	S	S	.	.	H	α-helix	trans	-66.5	-42.8	178.8	-68.4	-178.7	-163	97	-10.9	111.4	K104 H105 I106 L111 L112	K104-R108 WeakPolarHBondContact O-CG 3.23Å; K104-R108 PolarHBondContact O-N 2.84Å; K104-R108 PolarHBondContact O-NH1 3.26Å; H105-R108 PolarHBondContact O-N 3.4Å; I106-R108 VanDerWaalsContact C-N 3.33Å; I106-R108 PolarHBondContact O-N 3.14Å; R108-L111 PolarHBondContact O-N 3.31Å; R108-L112 WeakPolarHBondContact O-CB 3.22Å; R108-L112 VanDerWaalsContact O-CG 3.26Å; R108-L112 WeakPolarHBondContact O-CG 3.4Å; R108-L112 PolarHBondContact O-N 2.84Å
109	E	98.6	Very high	97.8	Very high	59 Å²	59	58 Å²	58	28%	0.276	30%	0.302	S	S	.	.	H	α-helix	trans	-64.1	-46.2	177.9	-65	176.9	152.8	0	0	111.1	H105 I106 L111 L112 S113 H250 R253	H105-E109 IonicContact CD2-OE1 3.37Å; H105-E109 IonicContact CE1-OE1 3.05Å; H105-E109 PolarHBondContact CE1-OE1 2.92Å; H105-E109 IonicContact ND1-OE1 2.57Å; H105-E109 IonicContact NE2-OE1 3.75Å; H105-E109 PolarHBondContact NE2-OE1 3.04Å; H105-E109 VanDerWaalsContact NE2-OE1 3.13Å; H105-E109 PolarHBondContact O-N 2.78Å; H105-E109 VanDerWaalsContact O-N 3.15Å; I106-E109 PolarHBondContact O-N 2.96Å; E109-L111 PolarHBondContact O-N 2.9Å; E109-L112 PolarHBondContact O-N 3.29Å; E109-S113 PolarHBondContact O-N 2.77Å; E109-S113 PolarHBondContact O-OG 3.06Å; E109-H250 WeakPolarHBondContact CB-NE2 3.42Å; E109-H250 IonicContact OE2-CD2 3.92Å; E109-H250 IonicContact OE2-NE2 3.91Å; E109-H250 PolarHBondContact OE2-NE2 3.13Å; E109-R253 IonicContact OE1-NH2 2.75Å; E109-R253 PolarHBondContact OE1-NH2 3.06Å; E109-R253 IonicContact OE2-CZ 2.76Å; E109-R253 IonicContact OE2-NE 3.21Å; E109-R253 PolarHBondContact OE2-NE 2.97Å; E109-R253 IonicContact OE2-NH2 3.87Å; E109-R253 PolarHBondContact OE2-NH2 3.27Å
110	A	98.5	Very high	97.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-38.7	176.1	0	0	0	0	0	112.8	I106 S113 G114 H115 M116 Y249 H250 W270	I106-A110 VanDerWaalsContact O-CB 3.31Å; I106-A110 WeakPolarHBondContact O-CB 3.42Å; I106-A110 PolarHBondContact O-N 3.3Å; A110-S113 WeakPolarHBondContact CA-OG 3.35Å; A110-S113 PolarHBondContact O-N 3.34Å; A110-S113 PolarHBondContact O-OG 3.31Å; A110-G114 PolarHBondContact O-N 3.19Å; A110-H115 PolarHBondContact O-N 2.75Å; A110-M116 HydrophobicContact CB-CG 3.56Å; A110-M116 HydrophobicContact CB-SD 3.63Å; A110-Y249 WeakPolarHBondContact CB-O 3.39Å; A110-H250 HydrophobicContact CB-CB 4.23Å; A110-W270 HydrophobicContact CB-CH2 3.81Å
111	L	97.9	Very high	97.5	Very high	59 Å²	59	59.2 Å²	59.2	31%	0.309	30%	0.299	S	S	.	.	H	α-helix	trans	-67.3	-45.6	176.3	179.3	64	0	0	0	111.4	F107 R108 E109 S113 G114 M116 F120	F107-L111 HydrophobicContact CE1-CD2 4.1Å; F107-L111 HydrophobicContact CZ-CD2 4.45Å; F107-L111 VanDerWaalsContact O-CB 3.23Å; F107-L111 WeakPolarHBondContact O-CB 3.45Å; F107-L111 PolarHBondContact O-N 2.93Å; R108-L111 PolarHBondContact O-N 3.31Å; E109-L111 PolarHBondContact O-N 2.9Å; L111-S113 PolarHBondContact O-N 2.87Å; L111-G114 PolarHBondContact O-N 2.95Å; L111-M116 HydrophobicContact CB-CB 4.21Å; L111-M116 HydrophobicContact CB-CG 4.07Å; L111-M116 HydrophobicContact CD1-CB 3.96Å; L111-F120 HydrophobicContact CD1-CE2 3.88Å; L111-F120 HydrophobicContact CD1-CZ 3.71Å
112	L	97.5	Very high	97.5	Very high	157 Å²	157	53.7 Å²	53.7	82%	0.822	26%	0.263	S	S	*	.	H	α-helix	trans	-66.1	-24.5	178.7	-71.7	173.1	0	0	0	113.1	R108 E109 G114	R108-L112 WeakPolarHBondContact O-CB 3.22Å; R108-L112 VanDerWaalsContact O-CG 3.26Å; R108-L112 WeakPolarHBondContact O-CG 3.4Å; R108-L112 PolarHBondContact O-N 2.84Å; E109-L112 PolarHBondContact O-N 3.29Å; L112-G114 VanDerWaalsContact C-N 3.32Å
113	S	96.4	Very high	97.5	Very high	49 Å²	49	50.5 Å²	50.5	34%	0.343	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.3	172.2	52.3	0	0	0	0	113.9	E109 A110 L111 H115	E109-S113 PolarHBondContact O-N 2.77Å; E109-S113 PolarHBondContact O-OG 3.06Å; A110-S113 WeakPolarHBondContact CA-OG 3.35Å; A110-S113 PolarHBondContact O-N 3.34Å; A110-S113 PolarHBondContact O-OG 3.31Å; L111-S113 PolarHBondContact O-N 2.87Å; S113-H115 PolarHBondContact O-CD2 3.12Å; S113-H115 VanDerWaalsContact O-CD2 3.26Å
114	G	96.5	Very high	97.3	Very high	27 Å²	27	54.8 Å²	54.8	28%	0.278	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	21.3	176.2	0	0	0	0	0	114.7	A110 L111 L112 S219	A110-G114 PolarHBondContact O-N 3.19Å; L111-G114 PolarHBondContact O-N 2.95Å; L112-G114 VanDerWaalsContact C-N 3.32Å; G114-S219 WeakPolarHBondContact O-CA 3.34Å
115	H	97.6	Very high	97.3	Very high	34 Å²	34	50.9 Å²	50.9	16%	0.157	27%	0.267	C	S	.	.			trans	-114.7	27.7	-177	-65.3	-62.1	0	0	0	113.2	A110 S113 T218 G248 Y249	A110-H115 PolarHBondContact O-N 2.75Å; S113-H115 PolarHBondContact O-CD2 3.12Å; S113-H115 VanDerWaalsContact O-CD2 3.26Å; H115-T218 CarbonylContact C-O 3.57Å; H115-T218 VanDerWaalsContact C-O 3.24Å; H115-T218 WeakPolarHBondContact CA-O 3.34Å; H115-T218 WeakPolarHBondContact O-CB 3.36Å; H115-G248 CarbonylContact O-C 3.49Å; H115-G248 WeakPolarHBondContact O-CA 3.29Å; H115-Y249 WeakPolarHBondContact CB-O 3.34Å; H115-Y249 PolarHBondContact O-N 3.29Å
116	M	97.7	Very high	97.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.256	C	S	.	.			trans	-122.3	15.2	172.6	-67.3	-61.3	-51.8	0	0	112.1	F107 A110 L111 S118 Y119 T218 F257 W270	F107-M116 HydrophobicContact CD2-CE 3.47Å; F107-M116 VanDerWaalsContact CD2-CE 3.47Å; F107-M116 HydrophobicContact CD2-CG 4.38Å; F107-M116 HydrophobicContact CD2-SD 4.25Å; F107-M116 HydrophobicContact CE2-CE 3.52Å; F107-M116 HydrophobicContact CE2-CG 4.42Å; A110-M116 HydrophobicContact CB-CG 3.56Å; A110-M116 HydrophobicContact CB-SD 3.63Å; L111-M116 HydrophobicContact CB-CB 4.21Å; L111-M116 HydrophobicContact CB-CG 4.07Å; L111-M116 HydrophobicContact CD1-CB 3.96Å; M116-S118 VanDerWaalsContact C-N 3.32Å; M116-S118 PolarHBondContact O-N 3.29Å; M116-Y119 HydrophobicContact CE-CD2 3.76Å; M116-Y119 HydrophobicContact CE-CG 3.91Å; M116-Y119 WeakPolarHBondContact O-CB 3.36Å; M116-Y119 PolarHBondContact O-N 2.76Å; M116-T218 PolarHBondContact N-O 3.2Å; M116-F257 HydrophobicContact CE-CD1 4.06Å; M116-F257 HydrophobicContact CE-CG 4.47Å; M116-W270 HydrophobicContact CE-CH2 4.28Å; M116-W270 HydrophobicContact SD-CH2 3.51Å; M116-W270 VanDerWaalsContact SD-CH2 3.51Å; M116-W270 HydrophobicContact SD-CZ2 4.2Å; M116-W270 HydrophobicContact SD-CZ3 4.44Å
117	E	95.7	Very high	97.2	Very high	76 Å²	76	50.3 Å²	50.3	36%	0.355	27%	0.267	S	S	.	.	H	α-helix	trans	-66.7	-35.5	-170.4	-61.7	-53.5	130.8	0	0	112.3	Y119 T218	E117-Y119 PolarHBondContact O-N 2.75Å; E117-T218 PolarHBondContact N-O 3.46Å
118	S	95.5	Very high	97.1	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.063	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-20.5	172.7	53.6	0	0	0	0	113.8	M116 F120 L122 G247	M116-S118 VanDerWaalsContact C-N 3.32Å; M116-S118 PolarHBondContact O-N 3.29Å; S118-F120 PolarHBondContact O-N 3.24Å; S118-L122 WeakPolarHBondContact O-CB 3.39Å; S118-L122 WeakPolarHBondContact O-CG 3.44Å; S118-L122 PolarHBondContact O-N 2.97Å; S118-G247 PolarHBondContact OG-O 3.06Å
119	Y	97.6	Very high	97.1	Very high	46 Å²	46	45 Å²	45	18%	0.18	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-44.3	-176.9	174	-95.5	0	0	0	111.7	F98 F107 M116 E117 S121 L122 A123 G247 F257 F259	F98-Y119 HydrophobicContact CE1-CE2 4.26Å; F98-Y119 HydrophobicContact CE2-CE2 4.27Å; F98-Y119 AromaticContact CZ-CE2 3.69Å; F98-Y119 HydrophobicContact CZ-CE2 3.69Å; F98-Y119 AromaticContact CZ-CZ 3.91Å; F107-Y119 AromaticContact CE2-CD1 3.85Å; F107-Y119 HydrophobicContact CE2-CD1 3.85Å; F107-Y119 AromaticContact CE2-CD2 3.95Å; F107-Y119 HydrophobicContact CE2-CD2 3.95Å; F107-Y119 AromaticContact CE2-CE1 3.89Å; F107-Y119 HydrophobicContact CE2-CE1 3.89Å; F107-Y119 AromaticContact CE2-CE2 3.98Å; F107-Y119 HydrophobicContact CE2-CE2 3.98Å; F107-Y119 AromaticContact CE2-CG 3.9Å; F107-Y119 HydrophobicContact CE2-CG 3.9Å; F107-Y119 AromaticContact CE2-CZ 3.96Å; F107-Y119 HydrophobicContact CZ-CD1 4.09Å; F107-Y119 AromaticContact CZ-CE1 3.98Å; F107-Y119 HydrophobicContact CZ-CE1 3.98Å; M116-Y119 HydrophobicContact CE-CD2 3.76Å; M116-Y119 HydrophobicContact CE-CG 3.91Å; M116-Y119 WeakPolarHBondContact O-CB 3.36Å; M116-Y119 PolarHBondContact O-N 2.76Å; E117-Y119 PolarHBondContact O-N 2.75Å; Y119-S121 PolarHBondContact O-N 2.82Å; Y119-L122 PolarHBondContact O-N 2.98Å; Y119-A123 HydrophobicContact CD1-CB 4.29Å; Y119-A123 HydrophobicContact CE1-CB 3.96Å; Y119-A123 HydrophobicContact CE2-CB 4.21Å; Y119-A123 WeakPolarHBondContact O-CB 3.17Å; Y119-A123 PolarHBondContact O-N 3.43Å; Y119-G247 WeakPolarHBondContact CA-O 3.31Å; Y119-G247 WeakPolarHBondContact CB-O 3.28Å; Y119-G247 PolarHBondContact N-O 3.01Å; Y119-F257 HydrophobicContact CD2-CD1 4.15Å; Y119-F257 AromaticContact CD2-CE1 3.62Å; Y119-F257 HydrophobicContact CD2-CE1 3.62Å; Y119-F257 HydrophobicContact CD2-CZ 4.46Å; Y119-F257 AromaticContact CE2-CE1 3.83Å; Y119-F257 HydrophobicContact CE2-CE1 3.83Å; Y119-F257 HydrophobicContact CE2-CZ 4.23Å; Y119-F259 HydrophobicContact CD2-CE2 4.32Å; Y119-F259 AromaticContact CD2-CZ 3.71Å; Y119-F259 HydrophobicContact CD2-CZ 3.71Å; Y119-F259 HydrophobicContact CE2-CE1 4.41Å; Y119-F259 AromaticContact CE2-CZ 3.94Å; Y119-F259 HydrophobicContact CE2-CZ 3.94Å
120	F	96.2	Very high	97	Very high	96 Å²	96	46.8 Å²	46.8	42%	0.421	26%	0.262	S	S	.	.	H	α-helix	trans	-65.7	-45.2	-168.7	-62.6	-72.3	0	0	0	112	L111 S118 S124	L111-F120 HydrophobicContact CD1-CE2 3.88Å; L111-F120 HydrophobicContact CD1-CZ 3.71Å; S118-F120 PolarHBondContact O-N 3.24Å; F120-S124 PolarHBondContact O-N 2.99Å; F120-S124 PolarHBondContact O-OG 2.91Å
121	S	93.8	Very high	96.9	Very high	37 Å²	37	50.4 Å²	50.4	26%	0.259	28%	0.279	S	S	.	.	H	α-helix	trans	-69.1	-43	177.3	-56	0	0	0	0	111.4	Y119 S124 Q125 Y225	Y119-S121 PolarHBondContact O-N 2.82Å; S121-S124 WeakPolarHBondContact O-CB 3.46Å; S121-S124 PolarHBondContact O-N 3.08Å; S121-Q125 WeakPolarHBondContact O-CG 3.45Å; S121-Y225 WeakPolarHBondContact CB-OH 3.27Å; S121-Y225 PolarHBondContact OG-OH 2.91Å
122	L	97.3	Very high	96.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-70.4	-38.9	-179.9	-71.1	172.3	0	0	0	113.4	S118 Y119 S124 Q125 F126 M142 I143 A146 Y225 P245 V246 F259	S118-L122 WeakPolarHBondContact O-CB 3.39Å; S118-L122 WeakPolarHBondContact O-CG 3.44Å; S118-L122 PolarHBondContact O-N 2.97Å; Y119-L122 PolarHBondContact O-N 2.98Å; L122-S124 VanDerWaalsContact C-N 3.26Å; L122-S124 PolarHBondContact O-N 3.15Å; L122-Q125 CarbonylContact O-C 3.56Å; L122-Q125 WeakPolarHBondContact O-CA 3.49Å; L122-Q125 PolarHBondContact O-N 3.37Å; L122-F126 PolarHBondContact O-N 3.44Å; L122-M142 HydrophobicContact CB-CE 4.38Å; L122-M142 HydrophobicContact CD2-CE 4.45Å; L122-I143 HydrophobicContact CD2-CD1 3.53Å; L122-A146 HydrophobicContact CD2-CB 4.02Å; L122-Y225 HydrophobicContact CD1-CD1 3.9Å; L122-Y225 HydrophobicContact CD1-CE1 4.43Å; L122-Y225 HydrophobicContact CD2-CD1 3.86Å; L122-Y225 HydrophobicContact CD2-CE1 4.19Å; L122-Y225 HydrophobicContact CD2-CG 4.3Å; L122-Y225 HydrophobicContact CG-CD1 3.76Å; L122-Y225 HydrophobicContact CG-CE1 3.9Å; L122-P245 HydrophobicContact CD1-CB 4.05Å; L122-P245 HydrophobicContact CD2-CB 4.16Å; L122-V246 WeakPolarHBondContact CD1-O 3.45Å; L122-F259 HydrophobicContact CB-CD2 3.98Å; L122-F259 HydrophobicContact CB-CE2 3.47Å; L122-F259 VanDerWaalsContact CB-CE2 3.47Å; L122-F259 HydrophobicContact CB-CZ 4.01Å; L122-F259 HydrophobicContact CD1-CD2 4.18Å; L122-F259 HydrophobicContact CD1-CE2 4.08Å; L122-F259 HydrophobicContact CG-CE2 4.44Å
123	A	97.7	Very high	96.7	Very high	34 Å²	34	45.7 Å²	45.7	28%	0.281	26%	0.262	S	S	.	.	H	α-helix	trans	-62.2	-38	178.3	0	0	0	0	0	111.1	Y119 Q125 F126 F259	Y119-A123 HydrophobicContact CD1-CB 4.29Å; Y119-A123 HydrophobicContact CE1-CB 3.96Å; Y119-A123 HydrophobicContact CE2-CB 4.21Å; Y119-A123 WeakPolarHBondContact O-CB 3.17Å; Y119-A123 PolarHBondContact O-N 3.43Å; A123-Q125 PolarHBondContact O-N 3.42Å; A123-F126 PolarHBondContact O-N 3.02Å; A123-F259 HydrophobicContact CB-CE1 4.21Å; A123-F259 HydrophobicContact CB-CZ 3.94Å
124	S	96	Very high	96.7	Very high	90 Å²	90	44.3 Å²	44.3	63%	0.629	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.4	173.7	-57.1	0	0	0	0	113	F120 S121 L122	F120-S124 PolarHBondContact O-N 2.99Å; F120-S124 PolarHBondContact O-OG 2.91Å; S121-S124 WeakPolarHBondContact O-CB 3.46Å; S121-S124 PolarHBondContact O-N 3.08Å; L122-S124 VanDerWaalsContact C-N 3.26Å; L122-S124 PolarHBondContact O-N 3.15Å
125	Q	97.5	Very high	96.8	Very high	29 Å²	29	43.7 Å²	43.7	14%	0.136	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	2.5	-178.8	-53.1	-47.8	-34.1	0	0	114.5	S121 L122 A123 C127 M142 N145 A146	S121-Q125 WeakPolarHBondContact O-CG 3.45Å; L122-Q125 CarbonylContact O-C 3.56Å; L122-Q125 WeakPolarHBondContact O-CA 3.49Å; L122-Q125 PolarHBondContact O-N 3.37Å; A123-Q125 PolarHBondContact O-N 3.42Å; Q125-C127 PolarHBondContact O-N 3.02Å; Q125-M142 HydrophobicContact CB-CB 4.42Å; Q125-M142 WeakPolarHBondContact O-CG 3.45Å; Q125-N145 HydrophobicContact CB-CB 4.31Å; Q125-N145 HydrophobicContact CG-CB 3.76Å; Q125-N145 VanDerWaalsContact OE1-CB 3.31Å; Q125-A146 HydrophobicContact CG-CB 4.04Å
126	F	98.1	Very high	96.8	Very high	40 Å²	40	42.1 Å²	42.1	18%	0.175	23%	0.233	C	C	.	.			trans	-68.8	108.5	-170	-176.9	-139.2	0	0	0	112.9	L122 A123 M142 F259 D260 R263 P268	L122-F126 PolarHBondContact O-N 3.44Å; A123-F126 PolarHBondContact O-N 3.02Å; F126-M142 HydrophobicContact CB-CE 4.06Å; F126-M142 HydrophobicContact CD2-CE 3.76Å; F126-M142 HydrophobicContact CD2-SD 3.78Å; F126-M142 HydrophobicContact CG-CE 4.35Å; F126-F259 HydrophobicContact CB-CD1 4.13Å; F126-F259 HydrophobicContact CB-CE1 4.23Å; F126-F259 HydrophobicContact CD1-CD1 4.01Å; F126-F259 HydrophobicContact CD1-CE1 4.35Å; F126-F259 HydrophobicContact CD2-CB 4.1Å; F126-F259 AromaticContact CD2-CD1 3.72Å; F126-F259 HydrophobicContact CD2-CD1 3.72Å; F126-F259 HydrophobicContact CD2-CG 4.31Å; F126-F259 HydrophobicContact CE1-CD1 4.33Å; F126-F259 HydrophobicContact CE2-CB 4.02Å; F126-F259 HydrophobicContact CE2-CD1 4.06Å; F126-F259 AromaticContact CG-CD1 3.69Å; F126-F259 HydrophobicContact CG-CD1 3.69Å; F126-F259 HydrophobicContact CG-CE1 4.17Å; F126-F259 HydrophobicContact CZ-CD1 4.34Å; F126-D260 WeakPolarHBondContact CE2-O 3.46Å; F126-D260 VanDerWaalsContact CZ-O 3.25Å; F126-D260 WeakPolarHBondContact CZ-O 3.36Å; F126-R263 HydrophobicContact CE1-CG 4.14Å; F126-R263 HydrophobicContact CE2-CG 4.21Å; F126-R263 VanDerWaalsContact CZ-CD 3.41Å; F126-R263 HydrophobicContact CZ-CG 3.55Å; F126-P268 HydrophobicContact CD1-CG 4.31Å; F126-P268 HydrophobicContact CE1-CG 3.3Å; F126-P268 HydrophobicContact CZ-CG 3.43Å; F126-P268 VanDerWaalsContact CZ-CG 3.43Å
127	C	97.1	Very high	96.8	Very high	34 Å²	34	42.1 Å²	42.1	23%	0.23	23%	0.234	C	C	.	.			trans	-105.6	161.5	178.9	63.4	0	0	0	0	112.5	Q125	Q125-C127 PolarHBondContact O-N 3.02Å
128	T	98.3	Very high	97	Very high	64 Å²	64	38.5 Å²	38.5	39%	0.393	22%	0.217	S	C	.	.			trans	-85.9	131.8	159.4	-54	0	0	0	0	106.6	E130 T261 R263 F264	T128-E130 PolarHBondContact O-N 3.07Å; T128-T261 WeakPolarHBondContact CA-O 3.35Å; T128-R263 HydrophobicContact CG2-CB 4.14Å; T128-R263 VanDerWaalsContact OG1-CD 3.32Å; T128-R263 WeakPolarHBondContact OG1-CD 3.36Å; T128-F264 HydrophobicContact CG2-CD1 4.07Å
129	Q	97.7	Very high	97.1	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.028	21%	0.214	C	C	.	.			trans	-56.2	135.1	172.5	63.6	-176.9	93.5	0	0	110.4	E131 P132 A138 E164 T261 A262 F264	Q129-E131 PolarHBondContact NE2-O 2.83Å; Q129-P132 PolarHBondContact NE2-O 2.76Å; Q129-A138 HydrophobicContact CB-CB 3.6Å; Q129-E164 WeakPolarHBondContact CA-OE1 3.41Å; Q129-T261 PolarHBondContact N-O 2.9Å; Q129-A262 VanDerWaalsContact OE1-CA 3.27Å; Q129-F264 HydrophobicContact CG-CE1 3.7Å; Q129-F264 HydrophobicContact CG-CZ 4.34Å
130	E	96.2	Very high	97.2	Very high	95 Å²	95	35.9 Å²	35.9	44%	0.444	21%	0.205	S	C	.	.	S	Bend	trans	-70.6	-42.8	-173.7	-171.7	174.3	-155.5	0	0	111.1	T128 H163 E164 N165	T128-E130 PolarHBondContact O-N 3.07Å; E130-H163 IonicContact OE1-CE1 2.84Å; E130-H163 IonicContact OE2-CE1 3.9Å; E130-H163 PolarHBondContact OE2-CE1 2.85Å; E130-H163 IonicContact OE2-ND1 3.92Å; E130-H163 IonicContact OE2-NE2 3.08Å; E130-E164 PolarHBondContact N-OE1 2.97Å; E130-E164 PolarHBondContact N-OE2 3.15Å; E130-N165 PolarHBondContact OE2-ND2 3.29Å; E130-N165 PolarHBondContact OE2-OD1 3.44Å
131	E	96.1	Very high	97.3	Very high	77 Å²	77	31.7 Å²	31.7	36%	0.36	19%	0.187	S	C	.	.	S	Bend	trans	-109.8	146.4	176.5	-64.7	-66	167	0	0	111.2	Q129 S133 Y134 L176	Q129-E131 PolarHBondContact NE2-O 2.83Å; E131-S133 PolarHBondContact O-N 2.66Å; E131-Y134 HydrophobicContact CB-CD1 3.8Å; E131-Y134 HydrophobicContact CB-CD2 3.7Å; E131-Y134 HydrophobicContact CB-CE1 4.06Å; E131-Y134 HydrophobicContact CB-CE2 3.99Å; E131-Y134 HydrophobicContact CB-CG 3.62Å; E131-Y134 HydrophobicContact CG-CD1 4.44Å; E131-Y134 HydrophobicContact CG-CD2 3.86Å; E131-Y134 HydrophobicContact CG-CE1 4.27Å; E131-Y134 HydrophobicContact CG-CE2 3.67Å; E131-Y134 HydrophobicContact CG-CG 4.26Å; E131-Y134 WeakPolarHBondContact O-CB 3.28Å; E131-Y134 PolarHBondContact O-N 3.2Å; E131-L176 HydrophobicContact CB-CD2 4.46Å; E131-L176 HydrophobicContact CG-CD2 3.82Å
132	P	95.2	Very high	97.5	Very high	99 Å²	99	30 Å²	30	64%	0.643	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-23.1	179.7	-27.5	35.7	0	0	0	115.4	Q129 F264	Q129-P132 PolarHBondContact NE2-O 2.76Å; P132-F264 HydrophobicContact CB-CZ 4.39Å
133	S	95.6	Very high	97.5	Very high	18 Å²	18	30 Å²	30	13%	0.126	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-9.9	178.2	47.9	0	0	0	0	114.1	E131 C135 V175 L176 G179	E131-S133 PolarHBondContact O-N 2.66Å; S133-C135 PolarHBondContact O-N 3.01Å; S133-V175 VanDerWaalsContact CB-O 3.32Å; S133-V175 WeakPolarHBondContact CB-O 3.22Å; S133-V175 PolarHBondContact OG-O 2.71Å; S133-L176 WeakPolarHBondContact CB-O 3.42Å; S133-L176 PolarHBondContact OG-O 3.08Å; S133-G179 VanDerWaalsContact O-CA 3.28Å; S133-G179 WeakPolarHBondContact O-CA 3.43Å
134	Y	97.6	Very high	97.4	Very high	19 Å²	19	28.3 Å²	28.3	8%	0.075	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	16.8	-169.3	-75.5	8.9	0	0	0	115.7	E131 G136 L137 A138 E164 V175 L176	E131-Y134 HydrophobicContact CB-CD1 3.8Å; E131-Y134 HydrophobicContact CB-CD2 3.7Å; E131-Y134 HydrophobicContact CB-CE1 4.06Å; E131-Y134 HydrophobicContact CB-CE2 3.99Å; E131-Y134 HydrophobicContact CB-CG 3.62Å; E131-Y134 HydrophobicContact CG-CD1 4.44Å; E131-Y134 HydrophobicContact CG-CD2 3.86Å; E131-Y134 HydrophobicContact CG-CE1 4.27Å; E131-Y134 HydrophobicContact CG-CE2 3.67Å; E131-Y134 HydrophobicContact CG-CG 4.26Å; E131-Y134 WeakPolarHBondContact O-CB 3.28Å; E131-Y134 PolarHBondContact O-N 3.2Å; Y134-G136 PolarHBondContact O-N 3.04Å; Y134-G136 VanDerWaalsContact O-N 3.08Å; Y134-L137 HydrophobicContact CD1-CD1 3.79Å; Y134-L137 HydrophobicContact CD2-CD1 3.93Å; Y134-L137 HydrophobicContact CE1-CD1 3.94Å; Y134-L137 HydrophobicContact CE2-CD1 4.08Å; Y134-L137 HydrophobicContact CG-CB 4.46Å; Y134-L137 HydrophobicContact CG-CD1 3.77Å; Y134-L137 HydrophobicContact CG-CG 4.44Å; Y134-L137 PolarHBondContact O-N 2.96Å; Y134-A138 WeakPolarHBondContact O-CB 3.23Å; Y134-A138 PolarHBondContact O-N 2.98Å; Y134-E164 WeakPolarHBondContact CB-OE2 3.32Å; Y134-E164 HydrophobicContact CD2-CB 3.96Å; Y134-E164 HydrophobicContact CD2-CG 4.49Å; Y134-E164 VanDerWaalsContact CD2-OE2 3.29Å; Y134-E164 WeakPolarHBondContact CD2-OE2 3.31Å; Y134-E164 HydrophobicContact CE2-CB 4.39Å; Y134-V175 HydrophobicContact CD1-CG2 4.21Å; Y134-V175 HydrophobicContact CE1-CG1 4.22Å; Y134-V175 HydrophobicContact CE1-CG2 3.83Å; Y134-L176 HydrophobicContact CE1-CD2 3.83Å; Y134-L176 VanDerWaalsContact OH-CD2 3.22Å; Y134-L176 WeakPolarHBondContact OH-CD2 3.32Å
135	C	98	Very high	97.4	Very high	15 Å²	15	24.4 Å²	24.4	10%	0.101	13%	0.133	C	C	.	.	H	α-helix	trans	-54.1	-36	-178.6	60	0	0	0	0	114.1	S133 S139 H242	S133-C135 PolarHBondContact O-N 3.01Å; C135-S139 WeakPolarHBondContact O-CB 3.45Å; C135-S139 PolarHBondContact O-N 3.12Å; C135-S139 VanDerWaalsContact O-N 3.09Å; C135-S139 PolarHBondContact O-OG 3.34Å; C135-H242 WeakPolarHBondContact CB-CE1 3.43Å; C135-H242 WeakPolarHBondContact CB-ND1 3.43Å
136	G	98.2	Very high	97.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.7	-43.8	173.3	0	0	0	0	0	113.3	Y134 S139 L140 F185	Y134-G136 PolarHBondContact O-N 3.04Å; Y134-G136 VanDerWaalsContact O-N 3.08Å; G136-S139 PolarHBondContact O-N 3.49Å; G136-L140 WeakPolarHBondContact O-CB 3.36Å; G136-L140 PolarHBondContact O-N 3.09Å; G136-F185 VanDerWaalsContact O-CE2 3.3Å; G136-F185 WeakPolarHBondContact O-CE2 3.36Å
137	L	98.4	Very high	96.9	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-66	-45.6	177.8	-59.1	-176.4	0	0	0	111.6	Y134 S139 L140 V141 E164 L167 L171 V175 I180 I188	Y134-L137 HydrophobicContact CD1-CD1 3.79Å; Y134-L137 HydrophobicContact CD2-CD1 3.93Å; Y134-L137 HydrophobicContact CE1-CD1 3.94Å; Y134-L137 HydrophobicContact CE2-CD1 4.08Å; Y134-L137 HydrophobicContact CG-CB 4.46Å; Y134-L137 HydrophobicContact CG-CD1 3.77Å; Y134-L137 HydrophobicContact CG-CG 4.44Å; Y134-L137 PolarHBondContact O-N 2.96Å; L137-S139 VanDerWaalsContact C-N 3.33Å; L137-S139 PolarHBondContact O-N 3.3Å; L137-L140 PolarHBondContact O-N 3.08Å; L137-V141 WeakPolarHBondContact O-CG2 3.29Å; L137-V141 PolarHBondContact O-N 2.93Å; L137-E164 HydrophobicContact CB-CB 4.41Å; L137-E164 HydrophobicContact CB-CG 4.07Å; L137-L167 HydrophobicContact CB-CD1 4.14Å; L137-L167 HydrophobicContact CD2-CB 4.27Å; L137-L167 HydrophobicContact CD2-CD1 3.96Å; L137-L171 HydrophobicContact CD1-CD1 3.95Å; L137-L171 HydrophobicContact CD2-CD1 3.69Å; L137-L171 HydrophobicContact CG-CD1 4.4Å; L137-V175 HydrophobicContact CD1-CG2 4.29Å; L137-I180 HydrophobicContact CD2-CD1 3.97Å; L137-I180 HydrophobicContact CD2-CG2 4.5Å; L137-I188 HydrophobicContact CD2-CD1 4.08Å
138	A	98.6	Very high	96.4	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.8	-45	175.9	0	0	0	0	0	111.3	Q129 Y134 L140 V141 M142 E164 T261	Q129-A138 HydrophobicContact CB-CB 3.6Å; Y134-A138 WeakPolarHBondContact O-CB 3.23Å; Y134-A138 PolarHBondContact O-N 2.98Å; A138-L140 PolarHBondContact O-N 3.49Å; A138-V141 PolarHBondContact O-N 3.4Å; A138-M142 WeakPolarHBondContact O-CG 3.14Å; A138-M142 PolarHBondContact O-N 3.04Å; A138-E164 HydrophobicContact CB-CG 4.37Å; A138-E164 WeakPolarHBondContact CB-OE1 3.47Å; A138-T261 HydrophobicContact CB-CG2 3.86Å
139	S	98.7	Very high	95.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60	-45.2	175.3	-59.3	0	0	0	0	111.4	C135 G136 L137 M142 I143 F243	C135-S139 WeakPolarHBondContact O-CB 3.45Å; C135-S139 PolarHBondContact O-N 3.12Å; C135-S139 VanDerWaalsContact O-N 3.09Å; C135-S139 PolarHBondContact O-OG 3.34Å; G136-S139 PolarHBondContact O-N 3.49Å; L137-S139 VanDerWaalsContact C-N 3.33Å; L137-S139 PolarHBondContact O-N 3.3Å; S139-M142 WeakPolarHBondContact O-CB 3.48Å; S139-M142 PolarHBondContact O-N 3.43Å; S139-I143 WeakPolarHBondContact O-CG1 3.49Å; S139-I143 PolarHBondContact O-N 3.45Å; S139-I143 VanDerWaalsContact O-N 3.12Å; S139-F243 PolarHBondContact OG-O 3.48Å
140	L	98.6	Very high	95.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.5	-40.3	178.4	-178.7	56.6	0	0	0	112.3	G136 L137 A138 M142 I143 L144 L167 F185 I188 A189 L194	G136-L140 WeakPolarHBondContact O-CB 3.36Å; G136-L140 PolarHBondContact O-N 3.09Å; L137-L140 PolarHBondContact O-N 3.08Å; A138-L140 PolarHBondContact O-N 3.49Å; L140-M142 VanDerWaalsContact C-N 3.33Å; L140-M142 PolarHBondContact O-N 2.97Å; L140-I143 PolarHBondContact O-N 3.42Å; L140-I143 VanDerWaalsContact O-N 3.13Å; L140-L144 HydrophobicContact CD1-CG 4.27Å; L140-L144 HydrophobicContact CG-CD1 4.12Å; L140-L144 HydrophobicContact CG-CG 4.37Å; L140-L144 WeakPolarHBondContact O-CG 3.35Å; L140-L144 PolarHBondContact O-N 2.93Å; L140-L167 HydrophobicContact CB-CD1 4.31Å; L140-L167 HydrophobicContact CD2-CD1 4.03Å; L140-L167 HydrophobicContact CG-CD1 4.24Å; L140-F185 HydrophobicContact CB-CE2 3.89Å; L140-F185 HydrophobicContact CB-CZ 4.02Å; L140-F185 HydrophobicContact CD1-CZ 4.17Å; L140-I188 HydrophobicContact CD2-CB 4.22Å; L140-I188 HydrophobicContact CD2-CG2 3.59Å; L140-A189 HydrophobicContact CD1-CB 3.84Å; L140-A189 HydrophobicContact CD2-CB 4.2Å; L140-L194 HydrophobicContact CD1-CD1 3.67Å
141	V	98.3	Very high	94.9	Very high	8 Å²	8	16 Å²	16	5%	0.048	10%	0.096	C	C	.	.	H	α-helix	trans	-61	-42.2	174.3	167.8	0	0	0	0	111.1	L137 A138 I143 L144 N145 Y162 E164 L167	L137-V141 WeakPolarHBondContact O-CG2 3.29Å; L137-V141 PolarHBondContact O-N 2.93Å; A138-V141 PolarHBondContact O-N 3.4Å; V141-I143 VanDerWaalsContact C-N 3.28Å; V141-I143 PolarHBondContact O-N 3.17Å; V141-L144 PolarHBondContact O-N 3.49Å; V141-N145 WeakPolarHBondContact CG1-ND2 3.4Å; V141-N145 WeakPolarHBondContact O-CB 3.48Å; V141-N145 PolarHBondContact O-N 2.75Å; V141-N145 PolarHBondContact O-ND2 2.67Å; V141-Y162 VanDerWaalsContact CG1-O 3.24Å; V141-Y162 WeakPolarHBondContact CG1-O 3.32Å; V141-E164 HydrophobicContact CG2-CG 4.08Å; V141-L167 HydrophobicContact CG2-CD1 3.74Å; V141-L167 HydrophobicContact CG2-CG 4.12Å
142	M	98.3	Very high	94.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-56.2	-45.1	172.9	-70.7	-179.3	60.1	0	0	111.1	L122 Q125 F126 A138 S139 L140 A146 P245 F259 T261	L122-M142 HydrophobicContact CB-CE 4.38Å; L122-M142 HydrophobicContact CD2-CE 4.45Å; Q125-M142 HydrophobicContact CB-CB 4.42Å; Q125-M142 WeakPolarHBondContact O-CG 3.45Å; F126-M142 HydrophobicContact CB-CE 4.06Å; F126-M142 HydrophobicContact CD2-CE 3.76Å; F126-M142 HydrophobicContact CD2-SD 3.78Å; F126-M142 HydrophobicContact CG-CE 4.35Å; A138-M142 WeakPolarHBondContact O-CG 3.14Å; A138-M142 PolarHBondContact O-N 3.04Å; S139-M142 WeakPolarHBondContact O-CB 3.48Å; S139-M142 PolarHBondContact O-N 3.43Å; L140-M142 VanDerWaalsContact C-N 3.33Å; L140-M142 PolarHBondContact O-N 2.97Å; M142-A146 WeakPolarHBondContact O-CB 3.15Å; M142-A146 PolarHBondContact O-N 3.4Å; M142-P245 HydrophobicContact CB-CG 4.33Å; M142-P245 HydrophobicContact CE-CB 4.45Å; M142-P245 HydrophobicContact CE-CG 3.98Å; M142-P245 HydrophobicContact SD-CG 3.91Å; M142-F259 HydrophobicContact CE-CB 3.87Å; M142-F259 HydrophobicContact CE-CD1 4.27Å; M142-F259 HydrophobicContact CE-CD2 4.36Å; M142-F259 HydrophobicContact CE-CG 3.94Å; M142-T261 HydrophobicContact SD-CG2 3.72Å
143	I	97.9	Very high	94.1	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-66.5	-47.4	179.5	-59	-36.4	0	0	0	111.9	L122 S139 L140 V141 N145 A146 L147 L194 Y225 V227 P245 L296	L122-I143 HydrophobicContact CD2-CD1 3.53Å; S139-I143 WeakPolarHBondContact O-CG1 3.49Å; S139-I143 PolarHBondContact O-N 3.45Å; S139-I143 VanDerWaalsContact O-N 3.12Å; L140-I143 PolarHBondContact O-N 3.42Å; L140-I143 VanDerWaalsContact O-N 3.13Å; V141-I143 VanDerWaalsContact C-N 3.28Å; V141-I143 PolarHBondContact O-N 3.17Å; I143-N145 VanDerWaalsContact C-N 3.31Å; I143-N145 PolarHBondContact O-N 2.65Å; I143-A146 PolarHBondContact O-N 2.86Å; I143-L147 HydrophobicContact CG2-CD1 3.85Å; I143-L147 HydrophobicContact CG2-CG 4.3Å; I143-L147 WeakPolarHBondContact O-CB 3.33Å; I143-L147 WeakPolarHBondContact O-CG 3.33Å; I143-L147 PolarHBondContact O-N 3.3Å; I143-L194 HydrophobicContact CG2-CD1 4.29Å; I143-Y225 HydrophobicContact CD1-CD2 4.5Å; I143-Y225 HydrophobicContact CD1-CG 4.04Å; I143-Y225 HydrophobicContact CG2-CD2 4Å; I143-Y225 HydrophobicContact CG2-CG 4.5Å; I143-V227 HydrophobicContact CD1-CG2 3.87Å; I143-V227 HydrophobicContact CG1-CG2 3.63Å; I143-P245 HydrophobicContact CD1-CB 4.12Å; I143-P245 HydrophobicContact CD1-CG 4.23Å; I143-L296 HydrophobicContact CB-CD1 4.29Å; I143-L296 HydrophobicContact CG1-CD1 3.83Å; I143-L296 HydrophobicContact CG2-CB 3.93Å; I143-L296 HydrophobicContact CG2-CD1 3.96Å
144	L	95.7	Very high	93.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-57.9	-45	180	-71.5	169	0	0	0	111.4	L140 V141 L147 G148 L149 Y162 L167 Y192 L194	L140-L144 HydrophobicContact CD1-CG 4.27Å; L140-L144 HydrophobicContact CG-CD1 4.12Å; L140-L144 HydrophobicContact CG-CG 4.37Å; L140-L144 WeakPolarHBondContact O-CG 3.35Å; L140-L144 PolarHBondContact O-N 2.93Å; V141-L144 PolarHBondContact O-N 3.49Å; L144-L147 PolarHBondContact O-N 3.42Å; L144-G148 PolarHBondContact O-N 2.91Å; L144-L149 HydrophobicContact CD2-CD1 3.71Å; L144-L149 PolarHBondContact O-N 3.36Å; L144-L149 VanDerWaalsContact O-N 3.08Å; L144-Y162 HydrophobicContact CB-CD2 3.66Å; L144-Y162 HydrophobicContact CB-CE2 4.11Å; L144-Y162 HydrophobicContact CB-CG 3.97Å; L144-Y162 HydrophobicContact CD1-CD1 3.85Å; L144-Y162 HydrophobicContact CD1-CD2 4.24Å; L144-Y162 HydrophobicContact CD1-CE1 4.08Å; L144-Y162 HydrophobicContact CD1-CE2 4.43Å; L144-Y162 HydrophobicContact CD1-CG 3.93Å; L144-Y162 HydrophobicContact CD2-CE2 4.45Å; L144-Y162 HydrophobicContact CG-CD2 4.44Å; L144-L167 HydrophobicContact CD1-CD2 3.88Å; L144-Y192 HydrophobicContact CD1-CG 4.48Å; L144-L194 HydrophobicContact CD2-CD1 3.89Å; L144-L194 HydrophobicContact CD2-CD2 4.03Å; L144-L194 HydrophobicContact CD2-CG 3.97Å; L144-L194 HydrophobicContact CG-CD1 4.5Å
145	N	95.7	Very high	93.5	Very high	7 Å²	7	17 Å²	17	4%	0.037	9%	0.09	C	C	.	.	H	α-helix	trans	-71.9	-35.6	177.7	-68.2	-37.1	0	0	0	112.2	Q125 V141 I143 L147 G148 W161 Y162	Q125-N145 HydrophobicContact CB-CB 4.31Å; Q125-N145 HydrophobicContact CG-CB 3.76Å; Q125-N145 VanDerWaalsContact OE1-CB 3.31Å; V141-N145 WeakPolarHBondContact CG1-ND2 3.4Å; V141-N145 WeakPolarHBondContact O-CB 3.48Å; V141-N145 PolarHBondContact O-N 2.75Å; V141-N145 PolarHBondContact O-ND2 2.67Å; I143-N145 VanDerWaalsContact C-N 3.31Å; I143-N145 PolarHBondContact O-N 2.65Å; N145-L147 VanDerWaalsContact C-N 3.29Å; N145-L147 PolarHBondContact O-N 3.32Å; N145-G148 WeakPolarHBondContact O-CA 3.5Å; N145-G148 PolarHBondContact O-N 3.21Å; N145-W161 HydrophobicContact CB-CZ2 4.12Å; N145-W161 PolarHBondContact ND2-NE1 2.82Å; N145-W161 VanDerWaalsContact ND2-NE1 3.19Å; N145-Y162 PolarHBondContact ND2-O 3.29Å; N145-Y162 VanDerWaalsContact ND2-O 3.08Å; N145-Y162 WeakPolarHBondContact OD1-CB 3.4Å; N145-Y162 PolarHBondContact OD1-N 2.96Å
146	A	94.3	Very high	93.2	Very high	7 Å²	7	23.1 Å²	23.1	6%	0.058	12%	0.115	C	C	.	.	H	α-helix	trans	-71.1	-25.4	177.7	0	0	0	0	0	112.4	L122 Q125 M142 I143 Y225	L122-A146 HydrophobicContact CD2-CB 4.02Å; Q125-A146 HydrophobicContact CG-CB 4.04Å; M142-A146 WeakPolarHBondContact O-CB 3.15Å; M142-A146 PolarHBondContact O-N 3.4Å; I143-A146 PolarHBondContact O-N 2.86Å; A146-Y225 HydrophobicContact CB-CD2 4.35Å; A146-Y225 HydrophobicContact CB-CE1 4.15Å; A146-Y225 HydrophobicContact CB-CE2 3.65Å; A146-Y225 PolarHBondContact O-OH 2.88Å
147	L	90.9	Very high	92.9	Very high	25 Å²	25	26 Å²	26	13%	0.131	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-2.8	167.8	-71	171.1	0	0	0	113	I143 L144 N145 L149 L194 Y225 K298	I143-L147 HydrophobicContact CG2-CD1 3.85Å; I143-L147 HydrophobicContact CG2-CG 4.3Å; I143-L147 WeakPolarHBondContact O-CB 3.33Å; I143-L147 WeakPolarHBondContact O-CG 3.33Å; I143-L147 PolarHBondContact O-N 3.3Å; L144-L147 PolarHBondContact O-N 3.42Å; N145-L147 VanDerWaalsContact C-N 3.29Å; N145-L147 PolarHBondContact O-N 3.32Å; L147-L149 HydrophobicContact CB-CD1 4.34Å; L147-L149 HydrophobicContact CB-CG 4.2Å; L147-L149 HydrophobicContact CD1-CD1 4.37Å; L147-L149 PolarHBondContact O-N 3.18Å; L147-L194 HydrophobicContact CD1-CD2 3.47Å; L147-L194 VanDerWaalsContact CD1-CD2 3.47Å; L147-Y225 HydrophobicContact CD2-CD2 3.88Å; L147-Y225 HydrophobicContact CD2-CE2 3.65Å; L147-Y225 HydrophobicContact CG-CD2 3.89Å; L147-Y225 HydrophobicContact CG-CE2 3.75Å; L147-K298 HydrophobicContact CB-CG 4.5Å; L147-K298 HydrophobicContact CD1-CG 4.48Å; L147-K298 HydrophobicContact CD2-CG 4.45Å; L147-K298 WeakPolarHBondContact O-CE 3.1Å; L147-K298 PolarHBondContact O-NZ 3.36Å
148	G	87	Confident	92.4	Very high	21 Å²	21	30.8 Å²	30.8	22%	0.216	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	26.2	-177.4	0	0	0	0	0	113.6	L144 N145 D150	L144-G148 PolarHBondContact O-N 2.91Å; N145-G148 WeakPolarHBondContact O-CA 3.5Å; N145-G148 PolarHBondContact O-N 3.21Å; G148-D150 PolarHBondContact O-N 3Å
149	L	85.7	Confident	92	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	21%	0.21	C	C	.	.			trans	-72.3	116	177.4	-73.2	169.8	0	0	0	109.6	L144 L147 Y162 L194 K298 Y347	L144-L149 HydrophobicContact CD2-CD1 3.71Å; L144-L149 PolarHBondContact O-N 3.36Å; L144-L149 VanDerWaalsContact O-N 3.08Å; L147-L149 HydrophobicContact CB-CD1 4.34Å; L147-L149 HydrophobicContact CB-CG 4.2Å; L147-L149 HydrophobicContact CD1-CD1 4.37Å; L147-L149 PolarHBondContact O-N 3.18Å; L149-Y162 HydrophobicContact CB-CE2 3.89Å; L149-Y162 VanDerWaalsContact O-CD2 3.27Å; L149-Y162 WeakPolarHBondContact O-CD2 3.38Å; L149-Y162 WeakPolarHBondContact O-CE2 3.43Å; L149-L194 HydrophobicContact CD1-CD2 3.51Å; L149-K298 HydrophobicContact CD2-CD 3.91Å; L149-K298 HydrophobicContact CD2-CG 4.1Å; L149-K298 HydrophobicContact CG-CG 4.41Å; L149-Y347 HydrophobicContact CD2-CD1 4.35Å; L149-Y347 HydrophobicContact CD2-CE1 4.2Å
150	D	85.6	Confident	91.6	Very high	31 Å²	31	42.4 Å²	42.4	17%	0.166	22%	0.22	C	C	.	.			trans	-74.2	119.9	173.7	173.6	15.6	0	0	0	110.3	G148 G152 R160 D344 Q348	G148-D150 PolarHBondContact O-N 3Å; D150-G152 PolarHBondContact O-N 3.34Å; D150-G152 PolarHBondContact OD1-N 3.08Å; D150-R160 VanDerWaalsContact CG-NH2 3.32Å; D150-R160 IonicContact OD1-CZ 3.55Å; D150-R160 IonicContact OD1-NE 3.18Å; D150-R160 PolarHBondContact OD1-NE 2.92Å; D150-R160 IonicContact OD1-NH2 2.68Å; D150-R160 PolarHBondContact OD1-NH2 2.96Å; D150-R160 IonicContact OD2-CZ 2.77Å; D150-R160 IonicContact OD2-NE 3.64Å; D150-R160 PolarHBondContact OD2-NE 2.83Å; D150-R160 IonicContact OD2-NH1 2.92Å; D150-R160 IonicContact OD2-NH2 2.62Å; D150-R160 PolarHBondContact OD2-NH2 2.96Å; D150-D344 HydrophobicContact CB-CB 4.36Å; D150-Q348 PolarHBondContact O-NE2 3.26Å; D150-Q348 PolarHBondContact O-OE1 2.93Å; D150-Q348 VanDerWaalsContact O-OE1 3.09Å
151	P	88	Confident	91.3	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.026	24%	0.241	C	C	.	.			trans	-64.1	-8.4	180	28	-36.9	0	0	0	114.1	R153 R160 Y162 M166	P151-R153 HydrophobicContact CB-CG 4.41Å; P151-R153 PolarHBondContact O-N 3.42Å; P151-R160 HydrophobicContact CG-CB 4.12Å; P151-Y162 HydrophobicContact CB-CD1 4Å; P151-Y162 HydrophobicContact CB-CD2 4.13Å; P151-Y162 HydrophobicContact CB-CE1 3.71Å; P151-Y162 HydrophobicContact CB-CE2 3.88Å; P151-Y162 HydrophobicContact CB-CG 4.21Å; P151-Y162 HydrophobicContact CG-CD2 4.43Å; P151-M166 HydrophobicContact CB-CE 3.71Å; P151-M166 HydrophobicContact CG-CE 3.99Å
152	G	85.6	Confident	91.2	Very high	2 Å²	2	47.7 Å²	47.7	2%	0.021	24%	0.24	C	C	.	.	S	Bend	trans	68.8	8.6	177.5	0	0	0	0	0	113.7	D150 T362	D150-G152 PolarHBondContact O-N 3.34Å; D150-G152 PolarHBondContact OD1-N 3.08Å; G152-T362 PolarHBondContact O-N 2.85Å; G152-T362 PolarHBondContact O-OG1 3.11Å
153	R	88.4	Confident	91.1	Very high	42 Å²	42	49.4 Å²	49.4	16%	0.158	25%	0.248	C	C	.	.	S	Bend	trans	-146.2	157.4	178.5	70.3	-172.9	178.4	-169.7	-3.1	111.4	P151 R160 M166 D358	P151-R153 HydrophobicContact CB-CG 4.41Å; P151-R153 PolarHBondContact O-N 3.42Å; R153-R160 VanDerWaalsContact O-CB 3.3Å; R153-R160 WeakPolarHBondContact O-CB 3.49Å; R153-R160 VanDerWaalsContact O-CG 3.25Å; R153-R160 WeakPolarHBondContact O-CG 3.41Å; R153-M166 HydrophobicContact CG-CE 3.43Å; R153-M166 VanDerWaalsContact CG-CE 3.43Å; R153-M166 VanDerWaalsContact NE-CE 3.27Å; R153-M166 PolarHBondContact NH2-O 2.69Å; R153-D358 WeakPolarHBondContact CD-OD2 3.23Å; R153-D358 IonicContact CZ-OD2 3.6Å; R153-D358 IonicContact NE-OD2 2.82Å; R153-D358 IonicContact NH1-OD2 3.92Å; R153-D358 PolarHBondContact NH1-OD2 3.09Å
154	V	90.5	Very high	91.1	Very high	85 Å²	85	49.8 Å²	49.8	52%	0.515	25%	0.249	S	C	.	.			trans	-69.3	131.8	176.8	167.5	0	0	0	0	110.2	G157 R160	V154-G157 WeakPolarHBondContact CG1-O 3.44Å; V154-R160 HydrophobicContact CG2-CG 4.48Å
155	W	91.9	Very high	91	Very high	104 Å²	104	54 Å²	54	39%	0.394	27%	0.272	S	S	.	.	S	Bend	trans	-87.2	-56.5	165.2	168.8	45.3	0	0	0	110.7	W159 W161 H163 M166	W155-W159 PolarHBondContact N-O 3.22Å; W155-W161 WeakPolarHBondContact CB-O 3.33Å; W155-W161 HydrophobicContact CE3-CB 4.07Å; W155-H163 AromaticContact CD1-CG 4Å; W155-H163 HydrophobicContact CD2-CB 4.02Å; W155-H163 AromaticContact CE2-CD2 3.5Å; W155-H163 AromaticContact CE2-CG 3.49Å; W155-H163 VanDerWaalsContact CE2-CG 3.49Å; W155-H163 HydrophobicContact CG-CB 4.02Å; W155-H163 AromaticContact CH2-CD2 3.96Å; W155-H163 HydrophobicContact CZ2-CB 4.23Å; W155-H163 AromaticContact CZ2-CD2 3.18Å; W155-H163 WeakPolarHBondContact CZ2-CD2 3.44Å; W155-H163 AromaticContact CZ2-CG 3.71Å; W155-H163 AromaticContact CZ2-NE2 3.56Å; W155-H163 VanDerWaalsContact NE1-CB 3.34Å; W155-H163 AromaticContact NE1-CD2 3.69Å; W155-H163 AromaticContact NE1-CG 3.23Å; W155-H163 AromaticContact NE1-ND1 3.51Å; W155-M166 HydrophobicContact CB-CE 4.35Å; W155-M166 HydrophobicContact CB-SD 3.62Å; W155-M166 HydrophobicContact CG-SD 3.97Å
156	K	91.3	Very high	90.9	Very high	144 Å²	144	54.3 Å²	54.3	63%	0.626	27%	0.273	S	S	*	.	B	Isolated β-bridge	trans	-149.4	129.1	-174.6	-170.1	173.7	-175.5	174.4	0	111.3	W159	K156-W159 PolarHBondContact N-O 3.26Å; K156-W159 WeakPolarHBondContact O-CB 3.47Å; K156-W159 PolarHBondContact O-N 3.26Å
157	G	91.4	Very high	90.9	Very high	60 Å²	60	54 Å²	54	62%	0.619	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	-129	-176.4	0	0	0	0	0	110.7	V154 W159	V154-G157 WeakPolarHBondContact CG1-O 3.44Å; G157-W159 VanDerWaalsContact C-N 3.34Å
158	P	87.2	Confident	90.8	Very high	103 Å²	103	56.6 Å²	56.6	67%	0.669	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-1.5	172.6	35.7	-35.3	0	0	0	113.5
159	W	91.1	Very high	90.9	Very high	187 Å²	187	55.6 Å²	55.6	71%	0.708	28%	0.277	S	S	*	.	B	Isolated β-bridge	trans	-87.2	132.1	-167.4	-56.1	106.8	0	0	0	112.1	W155 K156 G157	W155-W159 PolarHBondContact N-O 3.22Å; K156-W159 PolarHBondContact N-O 3.26Å; K156-W159 WeakPolarHBondContact O-CB 3.47Å; K156-W159 PolarHBondContact O-N 3.26Å; G157-W159 VanDerWaalsContact C-N 3.34Å
160	R	89.8	Confident	91	Very high	56 Å²	56	56.6 Å²	56.6	21%	0.211	28%	0.284	C	S	.	.			trans	-105.2	117.1	170.7	-53.4	-162.8	-52.7	-132.3	-11.5	108.2	D150 P151 R153 V154 T409 R477	D150-R160 VanDerWaalsContact CG-NH2 3.32Å; D150-R160 IonicContact OD1-CZ 3.55Å; D150-R160 IonicContact OD1-NE 3.18Å; D150-R160 PolarHBondContact OD1-NE 2.92Å; D150-R160 IonicContact OD1-NH2 2.68Å; D150-R160 PolarHBondContact OD1-NH2 2.96Å; D150-R160 IonicContact OD2-CZ 2.77Å; D150-R160 IonicContact OD2-NE 3.64Å; D150-R160 PolarHBondContact OD2-NE 2.83Å; D150-R160 IonicContact OD2-NH1 2.92Å; D150-R160 IonicContact OD2-NH2 2.62Å; D150-R160 PolarHBondContact OD2-NH2 2.96Å; P151-R160 HydrophobicContact CG-CB 4.12Å; R153-R160 VanDerWaalsContact O-CB 3.3Å; R153-R160 WeakPolarHBondContact O-CB 3.49Å; R153-R160 VanDerWaalsContact O-CG 3.25Å; R153-R160 WeakPolarHBondContact O-CG 3.41Å; V154-R160 HydrophobicContact CG2-CG 4.48Å; R160-T409 PolarHBondContact NH1-OG1 3.44Å; R160-R477 VanDerWaalsContact NH1-NH2 3.11Å
161	W	93.4	Very high	91.3	Very high	114 Å²	114	57.3 Å²	57.3	43%	0.432	29%	0.288	S	S	.	.			trans	-157.2	141.3	179.9	-154.7	-110.6	0	0	0	108.6	N145 W155 H163	N145-W161 HydrophobicContact CB-CZ2 4.12Å; N145-W161 PolarHBondContact ND2-NE1 2.82Å; N145-W161 VanDerWaalsContact ND2-NE1 3.19Å; W155-W161 WeakPolarHBondContact CB-O 3.33Å; W155-W161 HydrophobicContact CE3-CB 4.07Å; W161-H163 PolarHBondContact O-N 2.85Å
162	Y	95.3	Very high	91.5	Very high	6 Å²	6	58.5 Å²	58.5	2%	0.024	30%	0.295	C	S	.	.			trans	-67.7	137.2	174.4	-80.4	-76.1	0	0	0	110.2	V141 L144 N145 L149 P151 L167 Y192 Q348	V141-Y162 VanDerWaalsContact CG1-O 3.24Å; V141-Y162 WeakPolarHBondContact CG1-O 3.32Å; L144-Y162 HydrophobicContact CB-CD2 3.66Å; L144-Y162 HydrophobicContact CB-CE2 4.11Å; L144-Y162 HydrophobicContact CB-CG 3.97Å; L144-Y162 HydrophobicContact CD1-CD1 3.85Å; L144-Y162 HydrophobicContact CD1-CD2 4.24Å; L144-Y162 HydrophobicContact CD1-CE1 4.08Å; L144-Y162 HydrophobicContact CD1-CE2 4.43Å; L144-Y162 HydrophobicContact CD1-CG 3.93Å; L144-Y162 HydrophobicContact CD2-CE2 4.45Å; L144-Y162 HydrophobicContact CG-CD2 4.44Å; N145-Y162 PolarHBondContact ND2-O 3.29Å; N145-Y162 VanDerWaalsContact ND2-O 3.08Å; N145-Y162 WeakPolarHBondContact OD1-CB 3.4Å; N145-Y162 PolarHBondContact OD1-N 2.96Å; L149-Y162 HydrophobicContact CB-CE2 3.89Å; L149-Y162 VanDerWaalsContact O-CD2 3.27Å; L149-Y162 WeakPolarHBondContact O-CD2 3.38Å; L149-Y162 WeakPolarHBondContact O-CE2 3.43Å; P151-Y162 HydrophobicContact CB-CD1 4Å; P151-Y162 HydrophobicContact CB-CD2 4.13Å; P151-Y162 HydrophobicContact CB-CE1 3.71Å; P151-Y162 HydrophobicContact CB-CE2 3.88Å; P151-Y162 HydrophobicContact CB-CG 4.21Å; P151-Y162 HydrophobicContact CG-CD2 4.43Å; Y162-L167 HydrophobicContact CD1-CD2 4.36Å; Y162-Y192 HydrophobicContact CD1-CD1 4.5Å; Y162-Y192 AromaticContact CE1-CD1 3.6Å; Y162-Y192 HydrophobicContact CE1-CD1 3.6Å; Y162-Y192 AromaticContact CE1-CE1 3.92Å; Y162-Y192 HydrophobicContact CE1-CE1 3.92Å; Y162-Q348 PolarHBondContact OH-NE2 2.95Å
163	H	96.9	Very high	91.8	Very high	36 Å²	36	69.2 Å²	69.2	17%	0.167	34%	0.335	C	S	.	.			trans	-140.8	156.3	176.6	-172.6	-96.4	0	0	0	109.2	E130 W155 W161 N165 M166	E130-H163 IonicContact OE1-CE1 2.84Å; E130-H163 IonicContact OE2-CE1 3.9Å; E130-H163 PolarHBondContact OE2-CE1 2.85Å; E130-H163 IonicContact OE2-ND1 3.92Å; E130-H163 IonicContact OE2-NE2 3.08Å; W155-H163 AromaticContact CD1-CG 4Å; W155-H163 HydrophobicContact CD2-CB 4.02Å; W155-H163 AromaticContact CE2-CD2 3.5Å; W155-H163 AromaticContact CE2-CG 3.49Å; W155-H163 VanDerWaalsContact CE2-CG 3.49Å; W155-H163 HydrophobicContact CG-CB 4.02Å; W155-H163 AromaticContact CH2-CD2 3.96Å; W155-H163 HydrophobicContact CZ2-CB 4.23Å; W155-H163 AromaticContact CZ2-CD2 3.18Å; W155-H163 WeakPolarHBondContact CZ2-CD2 3.44Å; W155-H163 AromaticContact CZ2-CG 3.71Å; W155-H163 AromaticContact CZ2-NE2 3.56Å; W155-H163 VanDerWaalsContact NE1-CB 3.34Å; W155-H163 AromaticContact NE1-CD2 3.69Å; W155-H163 AromaticContact NE1-CG 3.23Å; W155-H163 AromaticContact NE1-ND1 3.51Å; W161-H163 PolarHBondContact O-N 2.85Å; H163-N165 VanDerWaalsContact C-N 3.33Å; H163-N165 PolarHBondContact ND1-N 2.9Å; H163-N165 PolarHBondContact O-N 3.03Å; H163-M166 HydrophobicContact CB-CG 4.31Å; H163-M166 HydrophobicContact CB-SD 4.16Å; H163-M166 WeakPolarHBondContact O-CA 3.44Å; H163-M166 VanDerWaalsContact O-CB 3.27Å; H163-M166 WeakPolarHBondContact O-CB 3.43Å; H163-M166 PolarHBondContact O-N 2.89Å
164	E	96.8	Very high	92	Very high	7 Å²	7	70.2 Å²	70.2	3%	0.033	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-57	-44.4	-173.6	-70.6	162.5	-126.5	0	0	111.8	Q129 E130 Y134 L137 A138 V141 M166 L167	Q129-E164 WeakPolarHBondContact CA-OE1 3.41Å; E130-E164 PolarHBondContact N-OE1 2.97Å; E130-E164 PolarHBondContact N-OE2 3.15Å; Y134-E164 WeakPolarHBondContact CB-OE2 3.32Å; Y134-E164 HydrophobicContact CD2-CB 3.96Å; Y134-E164 HydrophobicContact CD2-CG 4.49Å; Y134-E164 VanDerWaalsContact CD2-OE2 3.29Å; Y134-E164 WeakPolarHBondContact CD2-OE2 3.31Å; Y134-E164 HydrophobicContact CE2-CB 4.39Å; L137-E164 HydrophobicContact CB-CB 4.41Å; L137-E164 HydrophobicContact CB-CG 4.07Å; A138-E164 HydrophobicContact CB-CG 4.37Å; A138-E164 WeakPolarHBondContact CB-OE1 3.47Å; V141-E164 HydrophobicContact CG2-CG 4.08Å; E164-M166 PolarHBondContact O-N 2.96Å; E164-L167 WeakPolarHBondContact O-CB 3.25Å; E164-L167 PolarHBondContact O-N 3.39Å
165	N	93.7	Very high	92.2	Very high	90 Å²	90	66.6 Å²	66.6	48%	0.481	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-65	-8	176.2	-63.2	-23.7	0	0	0	115.3	E130 H163	E130-N165 PolarHBondContact OE2-ND2 3.29Å; E130-N165 PolarHBondContact OE2-OD1 3.44Å; H163-N165 VanDerWaalsContact C-N 3.33Å; H163-N165 PolarHBondContact ND1-N 2.9Å; H163-N165 PolarHBondContact O-N 3.03Å
166	M	93.5	Very high	92.2	Very high	12 Å²	12	66.6 Å²	66.6	6%	0.059	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-89.2	-11.3	171.5	-61.2	175.4	75.9	0	0	112.2	P151 R153 W155 H163 E164 T168 Y192	P151-M166 HydrophobicContact CB-CE 3.71Å; P151-M166 HydrophobicContact CG-CE 3.99Å; R153-M166 HydrophobicContact CG-CE 3.43Å; R153-M166 VanDerWaalsContact CG-CE 3.43Å; R153-M166 VanDerWaalsContact NE-CE 3.27Å; R153-M166 PolarHBondContact NH2-O 2.69Å; W155-M166 HydrophobicContact CB-CE 4.35Å; W155-M166 HydrophobicContact CB-SD 3.62Å; W155-M166 HydrophobicContact CG-SD 3.97Å; H163-M166 HydrophobicContact CB-CG 4.31Å; H163-M166 HydrophobicContact CB-SD 4.16Å; H163-M166 WeakPolarHBondContact O-CA 3.44Å; H163-M166 VanDerWaalsContact O-CB 3.27Å; H163-M166 WeakPolarHBondContact O-CB 3.43Å; H163-M166 PolarHBondContact O-N 2.89Å; E164-M166 PolarHBondContact O-N 2.96Å; M166-T168 PolarHBondContact O-N 3.08Å; M166-Y192 PolarHBondContact O-OH 3.44Å
167	L	94.1	Very high	92.3	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.01	33%	0.332	C	S	.	.			trans	-85	77.3	178.4	-58.7	-170.4	0	0	0	111.2	L137 L140 V141 L144 Y162 E164 L171 Y192	L137-L167 HydrophobicContact CB-CD1 4.14Å; L137-L167 HydrophobicContact CD2-CB 4.27Å; L137-L167 HydrophobicContact CD2-CD1 3.96Å; L140-L167 HydrophobicContact CB-CD1 4.31Å; L140-L167 HydrophobicContact CD2-CD1 4.03Å; L140-L167 HydrophobicContact CG-CD1 4.24Å; V141-L167 HydrophobicContact CG2-CD1 3.74Å; V141-L167 HydrophobicContact CG2-CG 4.12Å; L144-L167 HydrophobicContact CD1-CD2 3.88Å; Y162-L167 HydrophobicContact CD1-CD2 4.36Å; E164-L167 WeakPolarHBondContact O-CB 3.25Å; E164-L167 PolarHBondContact O-N 3.39Å; L167-L171 WeakPolarHBondContact O-CD2 3.4Å; L167-Y192 WeakPolarHBondContact CA-OH 3.35Å; L167-Y192 HydrophobicContact CB-CE2 4.38Å; L167-Y192 HydrophobicContact CD2-CD1 3.83Å; L167-Y192 HydrophobicContact CD2-CD2 3.95Å; L167-Y192 HydrophobicContact CD2-CE1 3.56Å; L167-Y192 HydrophobicContact CD2-CE2 3.75Å; L167-Y192 HydrophobicContact CD2-CG 4.04Å
168	T	90.5	Very high	92.3	Very high	78 Å²	78	68.4 Å²	68.4	48%	0.479	33%	0.329	S	S	.	.			trans	-105.1	-20.1	-175.8	58.9	0	0	0	0	113.9	M166 Y192	M166-T168 PolarHBondContact O-N 3.08Å; T168-Y192 PolarHBondContact N-OH 3.23Å
169	C	87.8	Confident	92.7	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.007	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	131.6	179.6	-160.3	0	0	0	0	110.4	L171 C191 Y192	C169-L171 PolarHBondContact O-N 3.3Å; C169-C191 HydrophobicContact CB-CB 3.94Å; C169-Y192 HydrophobicContact CB-CE2 3.89Å; C169-Y192 PolarHBondContact N-OH 2.67Å
170	C	88.7	Confident	93	Very high	24 Å²	24	55.8 Å²	55.8	16%	0.162	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	13.8	174.8	-46.2	0	0	0	0	114	K187 I188 C191	C170-K187 HydrophobicContact CB-CB 4.35Å; C170-I188 HydrophobicContact CB-CG1 4.18Å; C170-C191 HydrophobicContact CB-CB 4.16Å; C170-C191 WeakPolarHBondContact CB-SG 3.46Å; C170-C191 WeakPolarHBondContact SG-CB 3.37Å; C170-C191 CovalentContact SG-SG 2.07Å; C170-C191 PolarHBondContact SG-SG 2.83Å
171	L	91.6	Very high	93.4	Very high	47 Å²	47	54 Å²	54	25%	0.246	27%	0.267	C	S	.	.			trans	-78	130.7	-179.5	-160.1	71.4	0	0	0	111.3	L137 L167 C169 V175 I180 I188	L137-L171 HydrophobicContact CD1-CD1 3.95Å; L137-L171 HydrophobicContact CD2-CD1 3.69Å; L137-L171 HydrophobicContact CG-CD1 4.4Å; L167-L171 WeakPolarHBondContact O-CD2 3.4Å; C169-L171 PolarHBondContact O-N 3.3Å; L171-V175 HydrophobicContact CD1-CB 4.47Å; L171-V175 HydrophobicContact CD1-CG2 4Å; L171-V175 HydrophobicContact CD2-CB 4.47Å; L171-V175 HydrophobicContact CD2-CG1 3.75Å; L171-V175 HydrophobicContact CG-CB 4.17Å; L171-V175 HydrophobicContact CG-CG1 3.97Å; L171-V175 HydrophobicContact CG-CG2 4.24Å; L171-I180 HydrophobicContact CD1-CG2 4.38Å; L171-I188 HydrophobicContact CD1-CD1 3.81Å
172	P	92.7	Very high	93.6	Very high	28 Å²	28	48.6 Å²	48.6	18%	0.182	25%	0.247	C	C	.	.			trans	-69.1	149.9	176.6	27	-31.7	0	0	0	111.7	D174 V175 I180	P172-D174 VanDerWaalsContact C-N 3.28Å; P172-D174 PolarHBondContact O-N 2.95Å; P172-V175 HydrophobicContact CG-CB 4.18Å; P172-V175 WeakPolarHBondContact O-CB 3.47Å; P172-V175 WeakPolarHBondContact O-CG1 3.34Å; P172-V175 PolarHBondContact O-N 3.02Å; P172-I180 HydrophobicContact CG-CG2 3.95Å
173	R	91.4	Very high	93.7	Very high	227 Å²	227	50.5 Å²	50.5	86%	0.857	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-28.9	-175.3	-72.8	-171.4	-108	-117.6	1.7	113.6
174	D	92.4	Very high	93.6	Very high	63 Å²	63	50.2 Å²	50.2	34%	0.337	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	15.5	-178	57.4	-15.5	0	0	0	113.3	P172 L176 T177 K178	P172-D174 VanDerWaalsContact C-N 3.28Å; P172-D174 PolarHBondContact O-N 2.95Å; D174-L176 VanDerWaalsContact C-N 3.27Å; D174-L176 PolarHBondContact O-N 3.03Å; D174-L176 VanDerWaalsContact O-N 3.17Å; D174-T177 PolarHBondContact O-N 2.95Å; D174-T177 PolarHBondContact O-OG1 2.98Å; D174-K178 PolarHBondContact O-N 2.97Å; D174-K178 WeakPolarHBondContact OD2-CD 3.46Å; D174-K178 WeakPolarHBondContact OD2-CE 3.27Å; D174-K178 IonicContact OD2-NZ 2.78Å; D174-K178 PolarHBondContact OD2-NZ 2.7Å
175	V	94.4	Very high	93.7	Very high	9 Å²	9	49.9 Å²	49.9	6%	0.055	26%	0.256	C	S	.	.	H	α-helix	trans	-53.5	-38.5	-176.3	66.3	0	0	0	0	113.9	S133 Y134 L137 L171 P172 T177 G179 I180	S133-V175 VanDerWaalsContact CB-O 3.32Å; S133-V175 WeakPolarHBondContact CB-O 3.22Å; S133-V175 PolarHBondContact OG-O 2.71Å; Y134-V175 HydrophobicContact CD1-CG2 4.21Å; Y134-V175 HydrophobicContact CE1-CG1 4.22Å; Y134-V175 HydrophobicContact CE1-CG2 3.83Å; L137-V175 HydrophobicContact CD1-CG2 4.29Å; L171-V175 HydrophobicContact CD1-CB 4.47Å; L171-V175 HydrophobicContact CD1-CG2 4Å; L171-V175 HydrophobicContact CD2-CB 4.47Å; L171-V175 HydrophobicContact CD2-CG1 3.75Å; L171-V175 HydrophobicContact CG-CB 4.17Å; L171-V175 HydrophobicContact CG-CG1 3.97Å; L171-V175 HydrophobicContact CG-CG2 4.24Å; P172-V175 HydrophobicContact CG-CB 4.18Å; P172-V175 WeakPolarHBondContact O-CB 3.47Å; P172-V175 WeakPolarHBondContact O-CG1 3.34Å; P172-V175 PolarHBondContact O-N 3.02Å; V175-T177 PolarHBondContact O-N 3.17Å; V175-G179 VanDerWaalsContact O-CA 3.22Å; V175-G179 WeakPolarHBondContact O-CA 3.39Å; V175-G179 PolarHBondContact O-N 2.89Å; V175-I180 HydrophobicContact CG2-CG2 3.68Å
176	L	93.3	Very high	93.8	Very high	104 Å²	104	46 Å²	46	55%	0.545	24%	0.235	S	C	.	.	H	α-helix	trans	-62.8	-32.4	178.6	-74.9	172.9	0	0	0	112.1	E131 S133 Y134 D174	E131-L176 HydrophobicContact CB-CD2 4.46Å; E131-L176 HydrophobicContact CG-CD2 3.82Å; S133-L176 WeakPolarHBondContact CB-O 3.42Å; S133-L176 PolarHBondContact OG-O 3.08Å; Y134-L176 HydrophobicContact CE1-CD2 3.83Å; Y134-L176 VanDerWaalsContact OH-CD2 3.22Å; Y134-L176 WeakPolarHBondContact OH-CD2 3.32Å; D174-L176 VanDerWaalsContact C-N 3.27Å; D174-L176 PolarHBondContact O-N 3.03Å; D174-L176 VanDerWaalsContact O-N 3.17Å
177	T	92.2	Very high	93.8	Very high	114 Å²	114	50.8 Å²	50.8	70%	0.699	26%	0.255	S	S	*	.	H	α-helix	trans	-94.1	-37.7	-176.2	59.8	0	0	0	0	113.4	D174 V175	D174-T177 PolarHBondContact O-N 2.95Å; D174-T177 PolarHBondContact O-OG1 2.98Å; V175-T177 PolarHBondContact O-N 3.17Å
178	K	92.3	Very high	93.8	Very high	128 Å²	128	50.7 Å²	50.7	56%	0.557	26%	0.255	S	S	*	.	H	α-helix	trans	-110.1	-18.8	-174.1	-63.9	-165.1	-168.2	151.3	0	114.5	D174	D174-K178 PolarHBondContact O-N 2.97Å; D174-K178 WeakPolarHBondContact OD2-CD 3.46Å; D174-K178 WeakPolarHBondContact OD2-CE 3.27Å; D174-K178 IonicContact OD2-NZ 2.78Å; D174-K178 PolarHBondContact OD2-NZ 2.7Å
179	G	95.3	Very high	94	Very high	7 Å²	7	47 Å²	47	7%	0.072	23%	0.232	C	C	.	.			trans	76.9	-147	-166.9	0	0	0	0	0	111.3	S133 V175	S133-G179 VanDerWaalsContact O-CA 3.28Å; S133-G179 WeakPolarHBondContact O-CA 3.43Å; V175-G179 VanDerWaalsContact O-CA 3.22Å; V175-G179 WeakPolarHBondContact O-CA 3.39Å; V175-G179 PolarHBondContact O-N 2.89Å
180	I	97.3	Very high	94.1	Very high	18 Å²	18	53.1 Å²	53.1	9%	0.092	26%	0.255	C	S	.	.			trans	-129.1	146.8	-177.9	63.7	174.4	0	0	0	110.7	L137 L171 P172 V175 D184 F185 I188 F243	L137-I180 HydrophobicContact CD2-CD1 3.97Å; L137-I180 HydrophobicContact CD2-CG2 4.5Å; L171-I180 HydrophobicContact CD1-CG2 4.38Å; P172-I180 HydrophobicContact CG-CG2 3.95Å; V175-I180 HydrophobicContact CG2-CG2 3.68Å; I180-D184 HydrophobicContact CB-CB 3.89Å; I180-D184 HydrophobicContact CG2-CB 4.45Å; I180-F185 HydrophobicContact CD1-CB 4.09Å; I180-F185 HydrophobicContact CD1-CD2 4.1Å; I180-I188 HydrophobicContact CD1-CD1 4.06Å; I180-I188 HydrophobicContact CG2-CD1 4.13Å; I180-F243 HydrophobicContact CG1-CE2 4.28Å; I180-F243 WeakPolarHBondContact O-CE2 3.31Å
181	T	97.4	Very high	94.2	Very high	18 Å²	18	52.2 Å²	52.2	11%	0.11	25%	0.249	C	C	.	.			trans	-79.1	170.8	172.3	68.9	0	0	0	0	111	D183 D184 F185 D286 T287	T181-D183 VanDerWaalsContact C-N 3.27Å; T181-D183 PolarHBondContact O-N 3.33Å; T181-D183 PolarHBondContact OG1-N 3.29Å; T181-D184 WeakPolarHBondContact CB-OD2 3.32Å; T181-D184 WeakPolarHBondContact CG2-OD2 3.25Å; T181-D184 PolarHBondContact N-OD2 3.22Å; T181-D184 PolarHBondContact O-N 3.18Å; T181-D184 PolarHBondContact OG1-N 2.82Å; T181-D184 VanDerWaalsContact OG1-N 3.17Å; T181-D184 PolarHBondContact OG1-OD2 3.21Å; T181-F185 PolarHBondContact O-N 3.22Å; T181-D286 HydrophobicContact CG2-CB 4.27Å; T181-T287 HydrophobicContact CG2-CG2 3.58Å
182	L	98	Very high	94.2	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-33.9	174	-175.4	55.1	0	0	0	112.1	F185 V186 L198 C229 F243 V294	L182-F185 WeakPolarHBondContact O-CB 3.19Å; L182-F185 PolarHBondContact O-N 2.94Å; L182-V186 VanDerWaalsContact O-CG2 3.32Å; L182-V186 WeakPolarHBondContact O-CG2 3.4Å; L182-V186 PolarHBondContact O-N 3.34Å; L182-V186 VanDerWaalsContact O-N 3.07Å; L182-L198 HydrophobicContact CD1-CD1 4.09Å; L182-L198 HydrophobicContact CD2-CD1 3.6Å; L182-L198 HydrophobicContact CG-CD1 3.68Å; L182-C229 HydrophobicContact CD1-CB 3.97Å; L182-C229 HydrophobicContact CD2-CB 4.32Å; L182-F243 HydrophobicContact CD1-CE1 3.84Å; L182-V294 HydrophobicContact CD1-CG1 3.98Å
183	D	96.6	Very high	93.9	Very high	45 Å²	45	48.8 Å²	48.8	24%	0.241	23%	0.23	C	C	.	.	H	α-helix	trans	-70.1	-38.2	176	-62.8	-58.1	0	0	0	111.7	T181 F185 V186 K187 R200	T181-D183 VanDerWaalsContact C-N 3.27Å; T181-D183 PolarHBondContact O-N 3.33Å; T181-D183 PolarHBondContact OG1-N 3.29Å; D183-F185 VanDerWaalsContact C-N 3.35Å; D183-V186 PolarHBondContact O-N 3.07Å; D183-K187 VanDerWaalsContact O-CG 3.29Å; D183-K187 WeakPolarHBondContact O-CG 3.4Å; D183-K187 PolarHBondContact O-N 3.4Å; D183-R200 IonicContact OD1-CZ 3.74Å; D183-R200 IonicContact OD1-NH2 3.66Å; D183-R200 PolarHBondContact OD1-NH2 3.4Å; D183-R200 IonicContact OD2-CZ 3.85Å; D183-R200 IonicContact OD2-NH2 2.98Å; D183-R200 PolarHBondContact OD2-NH2 3.32Å
184	D	96.4	Very high	93.8	Very high	31 Å²	31	38.2 Å²	38.2	17%	0.166	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-42.8	173.4	-60.8	-40.2	0	0	0	110.7	I180 T181 V186 K187 I188	I180-D184 HydrophobicContact CB-CB 3.89Å; I180-D184 HydrophobicContact CG2-CB 4.45Å; T181-D184 WeakPolarHBondContact CB-OD2 3.32Å; T181-D184 WeakPolarHBondContact CG2-OD2 3.25Å; T181-D184 PolarHBondContact N-OD2 3.22Å; T181-D184 PolarHBondContact O-N 3.18Å; T181-D184 PolarHBondContact OG1-N 2.82Å; T181-D184 VanDerWaalsContact OG1-N 3.17Å; T181-D184 PolarHBondContact OG1-OD2 3.21Å; D184-V186 VanDerWaalsContact C-N 3.31Å; D184-V186 PolarHBondContact O-N 3.37Å; D184-K187 PolarHBondContact O-N 2.07Å; D184-I188 HydrophobicContact CB-CD1 4.48Å; D184-I188 WeakPolarHBondContact O-CB 3.45Å; D184-I188 WeakPolarHBondContact O-CD1 3.36Å; D184-I188 WeakPolarHBondContact O-CG1 3.27Å; D184-I188 PolarHBondContact O-N 2.83Å
185	F	98	Very high	93.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-54.7	-48	174.2	-174.7	-75.1	0	0	0	111.2	G136 L140 I180 T181 L182 D183 I188 A189 V227 F243 V294 L296	G136-F185 VanDerWaalsContact O-CE2 3.3Å; G136-F185 WeakPolarHBondContact O-CE2 3.36Å; L140-F185 HydrophobicContact CB-CE2 3.89Å; L140-F185 HydrophobicContact CB-CZ 4.02Å; L140-F185 HydrophobicContact CD1-CZ 4.17Å; I180-F185 HydrophobicContact CD1-CB 4.09Å; I180-F185 HydrophobicContact CD1-CD2 4.1Å; T181-F185 PolarHBondContact O-N 3.22Å; L182-F185 WeakPolarHBondContact O-CB 3.19Å; L182-F185 PolarHBondContact O-N 2.94Å; D183-F185 VanDerWaalsContact C-N 3.35Å; F185-I188 PolarHBondContact O-N 2.88Å; F185-A189 HydrophobicContact CE1-CB 4.35Å; F185-A189 VanDerWaalsContact O-CB 3.25Å; F185-A189 WeakPolarHBondContact O-CB 3.18Å; F185-A189 PolarHBondContact O-N 2.87Å; F185-V227 HydrophobicContact CE2-CG1 4.24Å; F185-V227 HydrophobicContact CZ-CB 4.34Å; F185-V227 HydrophobicContact CZ-CG1 4.08Å; F185-V227 HydrophobicContact CZ-CG2 4.33Å; F185-F243 HydrophobicContact CB-CE1 3.79Å; F185-F243 HydrophobicContact CB-CZ 4.13Å; F185-F243 AromaticContact CD2-CD1 3.7Å; F185-F243 HydrophobicContact CD2-CD1 3.7Å; F185-F243 AromaticContact CD2-CE1 3.69Å; F185-F243 HydrophobicContact CD2-CE1 3.69Å; F185-F243 HydrophobicContact CD2-CG 4.42Å; F185-F243 HydrophobicContact CD2-CZ 4.43Å; F185-F243 HydrophobicContact CE2-CD1 4.13Å; F185-F243 HydrophobicContact CG-CD1 4.24Å; F185-F243 AromaticContact CG-CE1 3.83Å; F185-F243 HydrophobicContact CG-CE1 3.83Å; F185-V294 HydrophobicContact CD1-CG2 4.11Å; F185-V294 HydrophobicContact CE1-CG2 3.66Å; F185-V294 HydrophobicContact CZ-CG2 4.41Å; F185-L296 HydrophobicContact CE1-CD1 3.82Å; F185-L296 HydrophobicContact CE1-CD2 4.16Å; F185-L296 HydrophobicContact CZ-CD1 3.92Å
186	V	95.7	Very high	93.6	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-62.5	-45.8	178.5	171.6	0	0	0	0	111.3	L182 D183 D184 A189 R190 V196 L198 V294	L182-V186 VanDerWaalsContact O-CG2 3.32Å; L182-V186 WeakPolarHBondContact O-CG2 3.4Å; L182-V186 PolarHBondContact O-N 3.34Å; L182-V186 VanDerWaalsContact O-N 3.07Å; D183-V186 PolarHBondContact O-N 3.07Å; D184-V186 VanDerWaalsContact C-N 3.31Å; D184-V186 PolarHBondContact O-N 3.37Å; V186-A189 PolarHBondContact O-N 2.86Å; V186-R190 VanDerWaalsContact CG1-CZ 3.47Å; V186-R190 WeakPolarHBondContact O-CG 3.43Å; V186-R190 PolarHBondContact O-N 3.46Å; V186-V196 HydrophobicContact CB-CG1 4.27Å; V186-V196 HydrophobicContact CG1-CB 4.22Å; V186-V196 HydrophobicContact CG1-CG1 4.03Å; V186-V196 HydrophobicContact CG2-CG1 3.83Å; V186-L198 HydrophobicContact CG2-CB 4.18Å; V186-L198 HydrophobicContact CG2-CD1 4.06Å; V186-L198 HydrophobicContact CG2-CD2 4.17Å; V186-L198 HydrophobicContact CG2-CG 4.35Å; V186-V294 HydrophobicContact CG2-CG1 4.01Å
187	K	92.9	Very high	93.6	Very high	113 Å²	113	36.3 Å²	36.3	49%	0.491	18%	0.18	S	C	.	.	H	α-helix	trans	-60	-51.1	177.7	-72.1	169.6	-171.2	168.5	0	110.8	C170 D183 D184 R190 C191	C170-K187 HydrophobicContact CB-CB 4.35Å; D183-K187 VanDerWaalsContact O-CG 3.29Å; D183-K187 WeakPolarHBondContact O-CG 3.4Å; D183-K187 PolarHBondContact O-N 3.4Å; D184-K187 PolarHBondContact O-N 2.07Å; K187-R190 PolarHBondContact O-N 3.01Å; K187-C191 WeakPolarHBondContact O-CB 3.33Å; K187-C191 PolarHBondContact O-N 3.46Å; K187-C191 PolarHBondContact O-SG 3.18Å
188	I	94.8	Very high	93.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.9	-51.2	179.5	-61.9	161.4	0	0	0	109.4	L137 L140 C170 L171 I180 D184 F185 R190 C191 Y192	L137-I188 HydrophobicContact CD2-CD1 4.08Å; L140-I188 HydrophobicContact CD2-CB 4.22Å; L140-I188 HydrophobicContact CD2-CG2 3.59Å; C170-I188 HydrophobicContact CB-CG1 4.18Å; L171-I188 HydrophobicContact CD1-CD1 3.81Å; I180-I188 HydrophobicContact CD1-CD1 4.06Å; I180-I188 HydrophobicContact CG2-CD1 4.13Å; D184-I188 HydrophobicContact CB-CD1 4.48Å; D184-I188 WeakPolarHBondContact O-CB 3.45Å; D184-I188 WeakPolarHBondContact O-CD1 3.36Å; D184-I188 WeakPolarHBondContact O-CG1 3.27Å; D184-I188 PolarHBondContact O-N 2.83Å; F185-I188 PolarHBondContact O-N 2.88Å; I188-R190 VanDerWaalsContact C-N 3.32Å; I188-R190 PolarHBondContact O-N 3.31Å; I188-C191 CarbonylContact O-C 3.42Å; I188-C191 WeakPolarHBondContact O-CA 3.29Å; I188-C191 WeakPolarHBondContact O-CB 3.32Å; I188-C191 PolarHBondContact O-N 2.71Å; I188-Y192 HydrophobicContact CG2-CD2 3.9Å; I188-Y192 HydrophobicContact CG2-CE2 3.97Å; I188-Y192 VanDerWaalsContact O-CD2 3.28Å; I188-Y192 WeakPolarHBondContact O-CD2 3.24Å; I188-Y192 PolarHBondContact O-N 3.35Å; I188-Y192 VanDerWaalsContact O-N 3.08Å
189	A	94.5	Very high	94.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-54.1	-45.5	179.2	0	0	0	0	0	112.8	L140 F185 V186 C191 Y192 G193 L194 V196 L296	L140-A189 HydrophobicContact CD1-CB 3.84Å; L140-A189 HydrophobicContact CD2-CB 4.2Å; F185-A189 HydrophobicContact CE1-CB 4.35Å; F185-A189 VanDerWaalsContact O-CB 3.25Å; F185-A189 WeakPolarHBondContact O-CB 3.18Å; F185-A189 PolarHBondContact O-N 2.87Å; V186-A189 PolarHBondContact O-N 2.86Å; A189-C191 PolarHBondContact O-N 3.14Å; A189-Y192 CarbonylContact O-C 3.58Å; A189-Y192 PolarHBondContact O-N 2.97Å; A189-Y192 VanDerWaalsContact O-N 3.12Å; A189-G193 PolarHBondContact O-N 2.8Å; A189-L194 HydrophobicContact CB-CB 4.37Å; A189-L194 HydrophobicContact CB-CD1 4.24Å; A189-L194 WeakPolarHBondContact O-CB 3.35Å; A189-L194 PolarHBondContact O-N 3.17Å; A189-L194 VanDerWaalsContact O-N 3.13Å; A189-V196 HydrophobicContact CB-CG2 3.65Å; A189-L296 HydrophobicContact CB-CD2 3.97Å
190	R	90.7	Very high	94.3	Very high	130 Å²	130	30.9 Å²	30.9	49%	0.491	15%	0.147	S	C	.	.	H	α-helix	trans	-63.2	-40	173.1	-70.3	176.8	179.4	156.4	2.7	112.3	V186 K187 I188 Y192 G193 V196	V186-R190 VanDerWaalsContact CG1-CZ 3.47Å; V186-R190 WeakPolarHBondContact O-CG 3.43Å; V186-R190 PolarHBondContact O-N 3.46Å; K187-R190 PolarHBondContact O-N 3.01Å; I188-R190 VanDerWaalsContact C-N 3.32Å; I188-R190 PolarHBondContact O-N 3.31Å; R190-Y192 PolarHBondContact O-N 3.28Å; R190-Y192 VanDerWaalsContact O-N 3.12Å; R190-G193 PolarHBondContact O-N 3.17Å; R190-V196 HydrophobicContact CG-CB 4.3Å; R190-V196 HydrophobicContact CG-CG2 3.66Å; R190-V196 PolarHBondContact NH2-O 2.83Å
191	C	90.4	Very high	94.3	Very high	6 Å²	6	30.1 Å²	30.1	4%	0.041	14%	0.142	C	C	.	.	H	α-helix	trans	-61	-19.7	175.6	-63.1	0	0	0	0	112.8	C169 C170 K187 I188 A189 S352 P353 S354	C169-C191 HydrophobicContact CB-CB 3.94Å; C170-C191 HydrophobicContact CB-CB 4.16Å; C170-C191 WeakPolarHBondContact CB-SG 3.46Å; C170-C191 WeakPolarHBondContact SG-CB 3.37Å; C170-C191 CovalentContact SG-SG 2.07Å; C170-C191 PolarHBondContact SG-SG 2.83Å; K187-C191 WeakPolarHBondContact O-CB 3.33Å; K187-C191 PolarHBondContact O-N 3.46Å; K187-C191 PolarHBondContact O-SG 3.18Å; I188-C191 CarbonylContact O-C 3.42Å; I188-C191 WeakPolarHBondContact O-CA 3.29Å; I188-C191 WeakPolarHBondContact O-CB 3.32Å; I188-C191 PolarHBondContact O-N 2.71Å; A189-C191 PolarHBondContact O-N 3.14Å; C191-S352 PolarHBondContact O-OG 2.85Å; C191-S352 VanDerWaalsContact O-OG 3.13Å; C191-P353 WeakPolarHBondContact O-CD 3.47Å; C191-S354 WeakPolarHBondContact O-CB 3.35Å; C191-S354 PolarHBondContact O-N 3.49Å
192	Y	91	Very high	94.1	Very high	2 Å²	2	31 Å²	31	1%	0.008	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	17.7	176.5	-75.8	-91.9	0	0	0	114.1	L144 Y162 M166 L167 T168 C169 I188 A189 R190 S354	L144-Y192 HydrophobicContact CD1-CG 4.48Å; Y162-Y192 HydrophobicContact CD1-CD1 4.5Å; Y162-Y192 AromaticContact CE1-CD1 3.6Å; Y162-Y192 HydrophobicContact CE1-CD1 3.6Å; Y162-Y192 AromaticContact CE1-CE1 3.92Å; Y162-Y192 HydrophobicContact CE1-CE1 3.92Å; M166-Y192 PolarHBondContact O-OH 3.44Å; L167-Y192 WeakPolarHBondContact CA-OH 3.35Å; L167-Y192 HydrophobicContact CB-CE2 4.38Å; L167-Y192 HydrophobicContact CD2-CD1 3.83Å; L167-Y192 HydrophobicContact CD2-CD2 3.95Å; L167-Y192 HydrophobicContact CD2-CE1 3.56Å; L167-Y192 HydrophobicContact CD2-CE2 3.75Å; L167-Y192 HydrophobicContact CD2-CG 4.04Å; T168-Y192 PolarHBondContact N-OH 3.23Å; C169-Y192 HydrophobicContact CB-CE2 3.89Å; C169-Y192 PolarHBondContact N-OH 2.67Å; I188-Y192 HydrophobicContact CG2-CD2 3.9Å; I188-Y192 HydrophobicContact CG2-CE2 3.97Å; I188-Y192 VanDerWaalsContact O-CD2 3.28Å; I188-Y192 WeakPolarHBondContact O-CD2 3.24Å; I188-Y192 PolarHBondContact O-N 3.35Å; I188-Y192 VanDerWaalsContact O-N 3.08Å; A189-Y192 CarbonylContact O-C 3.58Å; A189-Y192 PolarHBondContact O-N 2.97Å; A189-Y192 VanDerWaalsContact O-N 3.12Å; R190-Y192 PolarHBondContact O-N 3.28Å; R190-Y192 VanDerWaalsContact O-N 3.12Å; Y192-S354 WeakPolarHBondContact CE1-OG 3.3Å; Y192-S354 PolarHBondContact OH-OG 3.46Å
193	G	87.1	Confident	93.7	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	22.6	172.3	0	0	0	0	0	115.2	A189 R190 A299 Y347 S351	A189-G193 PolarHBondContact O-N 2.8Å; R190-G193 PolarHBondContact O-N 3.17Å; G193-A299 PolarHBondContact O-N 3.12Å; G193-A299 VanDerWaalsContact O-N 3.14Å; G193-Y347 PolarHBondContact O-OH 3.3Å; G193-S351 WeakPolarHBondContact CA-O 3.49Å
194	L	90	Very high	93.4	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	140	173.4	-56.3	-173.7	0	0	0	111.8	L140 I143 L144 L147 L149 A189 V196 L296 R297	L140-L194 HydrophobicContact CD1-CD1 3.67Å; I143-L194 HydrophobicContact CG2-CD1 4.29Å; L144-L194 HydrophobicContact CD2-CD1 3.89Å; L144-L194 HydrophobicContact CD2-CD2 4.03Å; L144-L194 HydrophobicContact CD2-CG 3.97Å; L144-L194 HydrophobicContact CG-CD1 4.5Å; L147-L194 HydrophobicContact CD1-CD2 3.47Å; L147-L194 VanDerWaalsContact CD1-CD2 3.47Å; L149-L194 HydrophobicContact CD1-CD2 3.51Å; A189-L194 HydrophobicContact CB-CB 4.37Å; A189-L194 HydrophobicContact CB-CD1 4.24Å; A189-L194 WeakPolarHBondContact O-CB 3.35Å; A189-L194 PolarHBondContact O-N 3.17Å; A189-L194 VanDerWaalsContact O-N 3.13Å; L194-V196 HydrophobicContact CB-CG2 4.31Å; L194-L296 HydrophobicContact CB-CD2 4.49Å; L194-L296 HydrophobicContact CD1-CB 4.44Å; L194-L296 HydrophobicContact CD1-CD2 4.1Å; L194-R297 CarbonylContact C-O 3.57Å; L194-R297 VanDerWaalsContact CA-O 3.24Å; L194-R297 WeakPolarHBondContact CA-O 3.49Å; L194-R297 WeakPolarHBondContact CB-O 3.46Å; L194-R297 WeakPolarHBondContact CD2-O 3.34Å
195	D	88.7	Confident	93.3	Very high	70 Å²	70	43.8 Å²	43.8	37%	0.374	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	138.5	156.8	174	47.7	0	0	0	108.6	L296 R297 A299	D195-L296 WeakPolarHBondContact O-CA 3.25Å; D195-R297 PolarHBondContact N-O 2.91Å; D195-R297 PolarHBondContact O-N 2.96Å; D195-R297 VanDerWaalsContact O-N 3.09Å; D195-A299 HydrophobicContact CB-CB 4.2Å
196	V	92	Very high	93.1	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.024	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	107.4	-171.5	-168.1	0	0	0	0	108.9	V186 A189 R190 L194 V294 L296	V186-V196 HydrophobicContact CB-CG1 4.27Å; V186-V196 HydrophobicContact CG1-CB 4.22Å; V186-V196 HydrophobicContact CG1-CG1 4.03Å; V186-V196 HydrophobicContact CG2-CG1 3.83Å; A189-V196 HydrophobicContact CB-CG2 3.65Å; R190-V196 HydrophobicContact CG-CB 4.3Å; R190-V196 HydrophobicContact CG-CG2 3.66Å; R190-V196 PolarHBondContact NH2-O 2.83Å; L194-V196 HydrophobicContact CB-CG2 4.31Å; V196-V294 HydrophobicContact CG1-CB 4.03Å; V196-V294 HydrophobicContact CG1-CG1 3.96Å; V196-L296 HydrophobicContact CB-CD2 4.2Å; V196-L296 HydrophobicContact CG1-CD2 3.82Å; V196-L296 HydrophobicContact CG2-CD2 3.72Å
197	D	95.3	Very high	93.2	Very high	62 Å²	62	48.5 Å²	48.5	33%	0.332	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	102.2	172.6	-178.6	22	0	0	0	108.8	H199 V294 V295	D197-H199 IonicContact OD1-CD2 3.96Å; D197-H199 IonicContact OD1-CE1 2.82Å; D197-H199 IonicContact OD1-NE2 3.45Å; D197-H199 PolarHBondContact OD1-NE2 2.92Å; D197-H199 IonicContact OD2-CD2 3.24Å; D197-H199 IonicContact OD2-CE1 3.39Å; D197-H199 IonicContact OD2-NE2 3.85Å; D197-H199 PolarHBondContact OD2-NE2 2.89Å; D197-V294 VanDerWaalsContact O-CA 3.31Å; D197-V294 WeakPolarHBondContact O-CA 3.29Å; D197-V295 HydrophobicContact CB-CB 4.23Å; D197-V295 PolarHBondContact N-O 3.38Å; D197-V295 PolarHBondContact O-N 3.36Å
198	L	97.2	Very high	93.5	Very high	54 Å²	54	46.2 Å²	46.2	28%	0.283	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.1	-174.1	169.7	67.5	0	0	0	110.9	L182 V186 R200 V294	L182-L198 HydrophobicContact CD1-CD1 4.09Å; L182-L198 HydrophobicContact CD2-CD1 3.6Å; L182-L198 HydrophobicContact CG-CD1 3.68Å; V186-L198 HydrophobicContact CG2-CB 4.18Å; V186-L198 HydrophobicContact CG2-CD1 4.06Å; V186-L198 HydrophobicContact CG2-CD2 4.17Å; V186-L198 HydrophobicContact CG2-CG 4.35Å; L198-R200 HydrophobicContact CD1-CG 4.5Å; L198-V294 HydrophobicContact CB-CG1 4.31Å; L198-V294 HydrophobicContact CD1-CG1 3.66Å
199	H	97.8	Very high	93.6	Very high	36 Å²	36	51.1 Å²	51.1	17%	0.167	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	113.7	175.5	-66.9	-90.4	0	0	0	110.2	D197 Y209 G292 F293	D197-H199 IonicContact OD1-CD2 3.96Å; D197-H199 IonicContact OD1-CE1 2.82Å; D197-H199 IonicContact OD1-NE2 3.45Å; D197-H199 PolarHBondContact OD1-NE2 2.92Å; D197-H199 IonicContact OD2-CD2 3.24Å; D197-H199 IonicContact OD2-CE1 3.39Å; D197-H199 IonicContact OD2-NE2 3.85Å; D197-H199 PolarHBondContact OD2-NE2 2.89Å; H199-Y209 AromaticContact CE1-CE1 3.59Å; H199-Y209 AromaticContact CE1-CZ 3.84Å; H199-Y209 PolarHBondContact CE1-OH 3.27Å; H199-Y209 AromaticContact ND1-CE1 3.56Å; H199-G292 CarbonylContact O-C 3.46Å; H199-G292 VanDerWaalsContact O-CA 3.27Å; H199-G292 WeakPolarHBondContact O-CA 3.35Å; H199-F293 HydrophobicContact CB-CD1 3.98Å; H199-F293 HydrophobicContact CB-CD2 3.84Å; H199-F293 HydrophobicContact CB-CE1 3.54Å; H199-F293 HydrophobicContact CB-CE2 3.4Å; H199-F293 HydrophobicContact CB-CG 4.12Å; H199-F293 HydrophobicContact CB-CZ 3.24Å; H199-F293 AromaticContact CD2-CE2 3.51Å; H199-F293 AromaticContact CG-CE2 3.43Å; H199-F293 VanDerWaalsContact CG-CE2 3.43Å; H199-F293 AromaticContact CG-CZ 3.51Å; H199-F293 PolarHBondContact N-O 3.26Å; H199-F293 PolarHBondContact O-N 3.02Å
200	R	97.8	Very high	93.8	Very high	45 Å²	45	51.1 Å²	51.1	17%	0.17	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	133.6	172.7	-71.6	-169.4	-178.7	-78.8	-1.2	110.5	D183 L198 S202 T205 P290 R291	D183-R200 IonicContact OD1-CZ 3.74Å; D183-R200 IonicContact OD1-NH2 3.66Å; D183-R200 PolarHBondContact OD1-NH2 3.4Å; D183-R200 IonicContact OD2-CZ 3.85Å; D183-R200 IonicContact OD2-NH2 2.98Å; D183-R200 PolarHBondContact OD2-NH2 3.32Å; L198-R200 HydrophobicContact CD1-CG 4.5Å; R200-S202 PolarHBondContact O-N 3.46Å; R200-T205 WeakPolarHBondContact O-CG2 3.26Å; R200-P290 HydrophobicContact CB-CG 4.22Å; R200-P290 PolarHBondContact NH1-O 2.97Å; R200-R291 WeakPolarHBondContact CA-O 3.24Å
201	V	97.3	Very high	94.1	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	26%	0.26	C	S	.	.			trans	-82.9	100.2	-179.7	178.4	0	0	0	0	109.3	W277 M280 S281 P290 R291 F293	V201-W277 HydrophobicContact CB-CH2 4.35Å; V201-W277 HydrophobicContact CB-CZ3 4.29Å; V201-W277 HydrophobicContact CG1-CD2 3.74Å; V201-W277 HydrophobicContact CG1-CE3 3.92Å; V201-W277 HydrophobicContact CG1-CG 4.45Å; V201-W277 HydrophobicContact CG1-CH2 3.75Å; V201-W277 HydrophobicContact CG1-CZ2 3.55Å; V201-W277 HydrophobicContact CG1-CZ3 3.91Å; V201-W277 HydrophobicContact CG2-CD2 4.38Å; V201-W277 HydrophobicContact CG2-CE3 3.72Å; V201-W277 HydrophobicContact CG2-CH2 3.96Å; V201-W277 HydrophobicContact CG2-CZ3 3.46Å; V201-W277 VanDerWaalsContact CG2-CZ3 3.46Å; V201-M280 HydrophobicContact CB-CB 4.06Å; V201-M280 HydrophobicContact CG2-CB 3.69Å; V201-M280 HydrophobicContact CG2-CE 4.04Å; V201-M280 HydrophobicContact CG2-SD 4.47Å; V201-S281 WeakPolarHBondContact O-CA 3.17Å; V201-P290 WeakPolarHBondContact O-CB 3.3Å; V201-R291 PolarHBondContact N-O 3.03Å; V201-F293 HydrophobicContact CG2-CD1 4.35Å; V201-F293 HydrophobicContact CG2-CE1 4.42Å
202	S	93.6	Very high	94.5	Very high	38 Å²	38	51.4 Å²	51.4	27%	0.266	28%	0.283	S	S	.	.			trans	-117	169.7	177.9	74.1	0	0	0	0	110.7	R200 D204 T205	R200-S202 PolarHBondContact O-N 3.46Å; S202-D204 PolarHBondContact O-N 2.83Å; S202-D204 VanDerWaalsContact O-N 3.08Å; S202-T205 PolarHBondContact N-OG1 3.49Å; S202-T205 PolarHBondContact O-N 2.72Å; S202-T205 PolarHBondContact O-OG1 2.69Å
203	P	89.7	Confident	94.8	Very high	132 Å²	132	52 Å²	52	86%	0.857	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-26.6	176.7	-27.6	36.9	0	0	0	114.6	T205	P203-T205 VanDerWaalsContact C-N 3.34Å
204	D	90.8	Very high	95.3	Very high	158 Å²	158	52 Å²	52	85%	0.845	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-1.2	-178.3	-55.2	-38.8	0	0	0	113.3	S202	S202-D204 PolarHBondContact O-N 2.83Å; S202-D204 VanDerWaalsContact O-N 3.08Å
205	T	93.3	Very high	95.7	Very high	55 Å²	55	54.4 Å²	54.4	34%	0.337	30%	0.299	S	S	.	.	S	Bend	trans	-96.6	151.8	177.6	59.1	0	0	0	0	112	R200 S202 P203 W277	R200-T205 WeakPolarHBondContact O-CG2 3.26Å; S202-T205 PolarHBondContact N-OG1 3.49Å; S202-T205 PolarHBondContact O-N 2.72Å; S202-T205 PolarHBondContact O-OG1 2.69Å; P203-T205 VanDerWaalsContact C-N 3.34Å; T205-W277 WeakPolarHBondContact O-CZ2 3.41Å; T205-W277 VanDerWaalsContact OG1-CH2 3.24Å; T205-W277 WeakPolarHBondContact OG1-CH2 3.43Å; T205-W277 WeakPolarHBondContact OG1-CZ2 3.09Å
206	S	95	Very high	96	Very high	53 Å²	53	56.7 Å²	56.7	37%	0.371	31%	0.305	S	S	.	.			trans	-101.2	132.3	-175.9	-177.5	0	0	0	0	112.7	S208 Y209 F210 W277	S206-S208 PolarHBondContact O-N 2.95Å; S206-S208 PolarHBondContact OG-N 3.36Å; S206-S208 PolarHBondContact OG-OG 3.43Å; S206-Y209 PolarHBondContact O-N 3.33Å; S206-F210 PolarHBondContact O-N 3.02Å; S206-W277 VanDerWaalsContact C-CH2 3.44Å; S206-W277 VanDerWaalsContact O-CH2 3.28Å; S206-W277 WeakPolarHBondContact O-CH2 3.43Å
207	L	97.8	Very high	96.3	Very high	54 Å²	54	56.7 Å²	56.7	28%	0.283	31%	0.305	S	S	.	.	H	α-helix	trans	-58.5	-38.1	165.9	172	63.9	0	0	0	111.5	Y209 F210 Q211 L273 T274 W277	L207-Y209 VanDerWaalsContact C-N 3.3Å; L207-Y209 PolarHBondContact O-N 2.92Å; L207-F210 HydrophobicContact CD1-CD1 4.36Å; L207-F210 PolarHBondContact O-N 2.98Å; L207-Q211 PolarHBondContact O-N 3.08Å; L207-L273 HydrophobicContact CD1-CD2 4.05Å; L207-L273 HydrophobicContact CD1-CG 4.04Å; L207-T274 HydrophobicContact CD2-CG2 3.76Å; L207-W277 HydrophobicContact CB-CD2 4.25Å; L207-W277 HydrophobicContact CB-CG 4.35Å; L207-W277 HydrophobicContact CD1-CB 3.64Å; L207-W277 HydrophobicContact CD1-CD2 4.03Å; L207-W277 HydrophobicContact CD1-CE3 4.44Å; L207-W277 HydrophobicContact CD1-CG 3.69Å
208	S	97.8	Very high	96.4	Very high	64 Å²	64	53.8 Å²	53.8	45%	0.448	29%	0.289	S	S	.	.	H	α-helix	trans	-63.4	-39.4	179	72.4	0	0	0	0	111.2	S206 F210 Q211 D212	S206-S208 PolarHBondContact O-N 2.95Å; S206-S208 PolarHBondContact OG-N 3.36Å; S206-S208 PolarHBondContact OG-OG 3.43Å; S208-F210 PolarHBondContact O-N 3.21Å; S208-Q211 VanDerWaalsContact O-CB 3.3Å; S208-Q211 WeakPolarHBondContact O-CB 3.3Å; S208-Q211 PolarHBondContact O-N 3.05Å; S208-D212 PolarHBondContact O-N 3.34Å
209	Y	97.5	Very high	96.2	Very high	104 Å²	104	52.2 Å²	52.2	41%	0.408	28%	0.283	S	S	.	.	H	α-helix	trans	-64.6	-41.5	175.8	176.9	-101.7	0	0	0	111.4	H199 S206 L207 Q211 D212 V213 F293	H199-Y209 AromaticContact CE1-CE1 3.59Å; H199-Y209 AromaticContact CE1-CZ 3.84Å; H199-Y209 PolarHBondContact CE1-OH 3.27Å; H199-Y209 AromaticContact ND1-CE1 3.56Å; S206-Y209 PolarHBondContact O-N 3.33Å; L207-Y209 VanDerWaalsContact C-N 3.3Å; L207-Y209 PolarHBondContact O-N 2.92Å; Y209-Q211 VanDerWaalsContact C-N 3.31Å; Y209-Q211 PolarHBondContact O-N 3.25Å; Y209-D212 PolarHBondContact O-N 2.98Å; Y209-V213 HydrophobicContact CD1-CG2 4.29Å; Y209-V213 HydrophobicContact CE1-CG2 3.81Å; Y209-V213 HydrophobicContact CE2-CG2 4.31Å; Y209-V213 WeakPolarHBondContact O-CG2 3.25Å; Y209-V213 PolarHBondContact O-N 3.13Å; Y209-F293 HydrophobicContact CE1-CZ 4.36Å
210	F	98.3	Very high	95.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.8	-38.9	173.6	175.3	-122.6	0	0	0	112.4	S206 L207 S208 V213 V214 L226 V228 L273 L276 W277 M280 F293	S206-F210 PolarHBondContact O-N 3.02Å; L207-F210 HydrophobicContact CD1-CD1 4.36Å; L207-F210 PolarHBondContact O-N 2.98Å; S208-F210 PolarHBondContact O-N 3.21Å; F210-V213 PolarHBondContact O-N 3.45Å; F210-V214 HydrophobicContact CD1-CG2 4.5Å; F210-V214 HydrophobicContact CD2-CG2 3.97Å; F210-V214 HydrophobicContact CE1-CG2 4.1Å; F210-V214 HydrophobicContact CE2-CG2 3.5Å; F210-V214 HydrophobicContact CG-CG2 4.45Å; F210-V214 HydrophobicContact CZ-CG2 3.57Å; F210-V214 VanDerWaalsContact O-CG2 3.31Å; F210-V214 WeakPolarHBondContact O-CG2 3.46Å; F210-V214 PolarHBondContact O-N 3.44Å; F210-L226 HydrophobicContact CE2-CD2 4.42Å; F210-V228 HydrophobicContact CE2-CG1 4.36Å; F210-V228 HydrophobicContact CZ-CG1 4.26Å; F210-L273 HydrophobicContact CD1-CD1 3.75Å; F210-L273 HydrophobicContact CD1-CG 4.36Å; F210-L273 HydrophobicContact CE1-CD1 3.52Å; F210-L273 HydrophobicContact CE1-CG 4.35Å; F210-L273 HydrophobicContact CZ-CD1 4.4Å; F210-L276 HydrophobicContact CE1-CD2 4.4Å; F210-L276 HydrophobicContact CZ-CD2 4.12Å; F210-W277 HydrophobicContact CB-CE3 3.61Å; F210-W277 HydrophobicContact CB-CH2 4.43Å; F210-W277 HydrophobicContact CB-CZ3 3.43Å; F210-W277 VanDerWaalsContact CB-CZ3 3.43Å; F210-W277 AromaticContact CD1-CE3 3.71Å; F210-W277 HydrophobicContact CD1-CE3 3.71Å; F210-W277 HydrophobicContact CD1-CZ3 4.38Å; F210-W277 AromaticContact CG-CE3 3.77Å; F210-W277 HydrophobicContact CG-CE3 3.77Å; F210-W277 AromaticContact CG-CZ3 3.98Å; F210-W277 HydrophobicContact CG-CZ3 3.98Å; F210-M280 HydrophobicContact CD1-CE 3.96Å; F210-M280 HydrophobicContact CD2-CE 4.11Å; F210-M280 HydrophobicContact CE1-CE 3.5Å; F210-M280 HydrophobicContact CE2-CE 3.68Å; F210-M280 HydrophobicContact CG-CE 4.24Å; F210-M280 HydrophobicContact CZ-CE 3.36Å; F210-M280 HydrophobicContact CZ-SD 4.44Å; F210-F293 HydrophobicContact CB-CE1 4.19Å; F210-F293 HydrophobicContact CB-CZ 4.45Å; F210-F293 AromaticContact CD2-CD1 3.57Å; F210-F293 HydrophobicContact CD2-CD1 3.57Å; F210-F293 HydrophobicContact CD2-CD2 4.38Å; F210-F293 AromaticContact CD2-CE1 3.46Å; F210-F293 HydrophobicContact CD2-CE1 3.46Å; F210-F293 VanDerWaalsContact CD2-CE1 3.46Å; F210-F293 HydrophobicContact CD2-CE2 4.27Å; F210-F293 HydrophobicContact CD2-CG 4.05Å; F210-F293 AromaticContact CD2-CZ 3.82Å; F210-F293 HydrophobicContact CD2-CZ 3.82Å; F210-F293 HydrophobicContact CE2-CB 4.41Å; F210-F293 AromaticContact CE2-CD1 3.83Å; F210-F293 HydrophobicContact CE2-CD1 3.83Å; F210-F293 HydrophobicContact CE2-CE1 4.2Å; F210-F293 HydrophobicContact CE2-CG 4.01Å; F210-F293 HydrophobicContact CG-CD1 4.47Å; F210-F293 HydrophobicContact CG-CE1 4.12Å
211	Q	98.4	Very high	94.3	Very high	46 Å²	46	56.4 Å²	56.4	22%	0.215	33%	0.334	C	S	.	.	H	α-helix	trans	-58.1	-47.6	173	-167.3	171.6	35	0	0	111.3	L207 S208 Y209 V213 V214 I215 Y249 E254 L273	L207-Q211 PolarHBondContact O-N 3.08Å; S208-Q211 VanDerWaalsContact O-CB 3.3Å; S208-Q211 WeakPolarHBondContact O-CB 3.3Å; S208-Q211 PolarHBondContact O-N 3.05Å; Y209-Q211 VanDerWaalsContact C-N 3.31Å; Y209-Q211 PolarHBondContact O-N 3.25Å; Q211-V213 VanDerWaalsContact C-N 3.33Å; Q211-V213 PolarHBondContact O-N 3.17Å; Q211-V214 PolarHBondContact O-N 3.27Å; Q211-I215 HydrophobicContact CG-CD1 4Å; Q211-I215 WeakPolarHBondContact O-CB 3.19Å; Q211-I215 VanDerWaalsContact O-CG1 3.29Å; Q211-I215 WeakPolarHBondContact O-CG1 3.37Å; Q211-I215 PolarHBondContact O-N 3.43Å; Q211-Y249 PolarHBondContact NE2-OH 3.37Å; Q211-E254 PolarHBondContact NE2-OE1 3.19Å; Q211-L273 HydrophobicContact CB-CD2 3.82Å; Q211-L273 HydrophobicContact CG-CD2 3.73Å
212	D	97.4	Very high	93.2	Very high	96 Å²	96	57.8 Å²	57.8	51%	0.513	34%	0.344	S	S	.	.	H	α-helix	trans	-60.2	-42	177.4	-66.3	-27.7	0	0	0	111.9	S208 Y209 I215 K216	S208-D212 PolarHBondContact O-N 3.34Å; Y209-D212 PolarHBondContact O-N 2.98Å; D212-I215 PolarHBondContact O-N 2.82Å; D212-K216 WeakPolarHBondContact O-CB 3.33Å; D212-K216 PolarHBondContact O-N 2.99Å
213	V	97.5	Very high	92.6	Very high	14 Å²	14	63.7 Å²	63.7	9%	0.085	37%	0.367	C	S	.	.	H	α-helix	trans	-62.7	-46.3	175.3	172.6	0	0	0	0	110.8	Y209 F210 Q211 K216 M217 L226 F293 V295	Y209-V213 HydrophobicContact CD1-CG2 4.29Å; Y209-V213 HydrophobicContact CE1-CG2 3.81Å; Y209-V213 HydrophobicContact CE2-CG2 4.31Å; Y209-V213 WeakPolarHBondContact O-CG2 3.25Å; Y209-V213 PolarHBondContact O-N 3.13Å; F210-V213 PolarHBondContact O-N 3.45Å; Q211-V213 VanDerWaalsContact C-N 3.33Å; Q211-V213 PolarHBondContact O-N 3.17Å; V213-K216 PolarHBondContact O-N 2.95Å; V213-M217 HydrophobicContact CG1-CG 4.06Å; V213-M217 WeakPolarHBondContact O-CB 3.37Å; V213-M217 VanDerWaalsContact O-CG 3.24Å; V213-M217 WeakPolarHBondContact O-CG 3.31Å; V213-M217 PolarHBondContact O-N 3.17Å; V213-L226 HydrophobicContact CG1-CD1 4.31Å; V213-L226 HydrophobicContact CG1-CD2 4.48Å; V213-F293 HydrophobicContact CB-CE2 4.34Å; V213-F293 HydrophobicContact CG1-CD2 4.37Å; V213-F293 HydrophobicContact CG1-CE2 3.9Å; V213-F293 HydrophobicContact CG2-CE2 4.29Å; V213-V295 HydrophobicContact CG1-CG2 3.78Å
214	V	98.4	Very high	92.8	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-46.6	178.2	169.2	0	0	0	0	110.9	F210 Q211 K216 M217 T218 L226 Y249 V256 L273	F210-V214 HydrophobicContact CD1-CG2 4.5Å; F210-V214 HydrophobicContact CD2-CG2 3.97Å; F210-V214 HydrophobicContact CE1-CG2 4.1Å; F210-V214 HydrophobicContact CE2-CG2 3.5Å; F210-V214 HydrophobicContact CG-CG2 4.45Å; F210-V214 HydrophobicContact CZ-CG2 3.57Å; F210-V214 VanDerWaalsContact O-CG2 3.31Å; F210-V214 WeakPolarHBondContact O-CG2 3.46Å; F210-V214 PolarHBondContact O-N 3.44Å; Q211-V214 PolarHBondContact O-N 3.27Å; V214-K216 PolarHBondContact O-N 2.73Å; V214-M217 PolarHBondContact O-N 3.02Å; V214-T218 HydrophobicContact CG1-CG2 4.41Å; V214-T218 WeakPolarHBondContact O-CB 3.4Å; V214-T218 VanDerWaalsContact O-CG2 3.26Å; V214-T218 WeakPolarHBondContact O-CG2 3.46Å; V214-T218 PolarHBondContact O-N 3.48Å; V214-T218 PolarHBondContact O-OG1 3.44Å; V214-L226 HydrophobicContact CB-CD2 4.47Å; V214-L226 HydrophobicContact CG2-CD2 3.71Å; V214-Y249 HydrophobicContact CG1-CD1 4.34Å; V214-Y249 HydrophobicContact CG1-CD2 3.53Å; V214-Y249 HydrophobicContact CG1-CE2 4.29Å; V214-Y249 HydrophobicContact CG1-CG 3.56Å; V214-V256 HydrophobicContact CG1-CG2 4.27Å; V214-L273 HydrophobicContact CG2-CD1 4.26Å
215	I	97.7	Very high	93.1	Very high	57 Å²	57	51.4 Å²	51.4	29%	0.292	30%	0.295	S	S	.	.	H	α-helix	trans	-56.1	-51.3	176.2	-74.2	169	0	0	0	110.1	Q211 D212 T218 S219 Y249	Q211-I215 HydrophobicContact CG-CD1 4Å; Q211-I215 WeakPolarHBondContact O-CB 3.19Å; Q211-I215 VanDerWaalsContact O-CG1 3.29Å; Q211-I215 WeakPolarHBondContact O-CG1 3.37Å; Q211-I215 PolarHBondContact O-N 3.43Å; D212-I215 PolarHBondContact O-N 2.82Å; I215-T218 PolarHBondContact O-N 3.21Å; I215-T218 PolarHBondContact O-OG1 2.95Å; I215-S219 WeakPolarHBondContact O-CB 3.01Å; I215-S219 PolarHBondContact O-N 3.19Å; I215-Y249 HydrophobicContact CD1-CE1 4.05Å; I215-Y249 HydrophobicContact CG1-CD1 3.67Å; I215-Y249 HydrophobicContact CG1-CE1 3.48Å; I215-Y249 VanDerWaalsContact CG1-CE1 3.48Å
216	K	96.4	Very high	93.4	Very high	118 Å²	118	48.9 Å²	48.9	51%	0.513	28%	0.28	S	S	.	.	H	α-helix	trans	-59.1	-54.5	179.6	-178.8	177.4	179.4	177.5	0	111	D212 V213 V214 T218 S219 S222	D212-K216 WeakPolarHBondContact O-CB 3.33Å; D212-K216 PolarHBondContact O-N 2.99Å; V213-K216 PolarHBondContact O-N 2.95Å; V214-K216 PolarHBondContact O-N 2.73Å; K216-T218 PolarHBondContact O-N 2.9Å; K216-S219 PolarHBondContact O-N 2.89Å; K216-S219 VanDerWaalsContact O-N 3.14Å; K216-S219 PolarHBondContact O-OG 3.03Å; K216-S222 VanDerWaalsContact O-CB 3.24Å; K216-S222 WeakPolarHBondContact O-CB 3.46Å; K216-S222 PolarHBondContact O-OG 2.87Å
217	M	96.8	Very high	93.6	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.02	26%	0.262	C	S	.	.	H	α-helix	trans	-71.7	-11.8	-172.3	-63.9	-48.7	-54	0	0	114.6	V213 V214 S222 G224 L226 V295	V213-M217 HydrophobicContact CG1-CG 4.06Å; V213-M217 WeakPolarHBondContact O-CB 3.37Å; V213-M217 VanDerWaalsContact O-CG 3.24Å; V213-M217 WeakPolarHBondContact O-CG 3.31Å; V213-M217 PolarHBondContact O-N 3.17Å; V214-M217 PolarHBondContact O-N 3.02Å; M217-S222 PolarHBondContact O-OG 2.89Å; M217-G224 WeakPolarHBondContact CE-O 3.35Å; M217-L226 HydrophobicContact CB-CB 3.94Å; M217-L226 HydrophobicContact CG-CB 4.21Å; M217-V295 HydrophobicContact CE-CG1 3.69Å; M217-V295 HydrophobicContact CG-CG1 4.2Å; M217-V295 HydrophobicContact CG-CG2 4.34Å; M217-V295 HydrophobicContact SD-CG1 3.55Å; M217-V295 VanDerWaalsContact SD-CG1 3.55Å
218	T	97.5	Very high	93.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-104.3	-4.8	175.5	58.5	0	0	0	0	113	H115 M116 E117 V214 I215 K216 V246 G248 Y249	H115-T218 CarbonylContact C-O 3.57Å; H115-T218 VanDerWaalsContact C-O 3.24Å; H115-T218 WeakPolarHBondContact CA-O 3.34Å; H115-T218 WeakPolarHBondContact O-CB 3.36Å; M116-T218 PolarHBondContact N-O 3.2Å; E117-T218 PolarHBondContact N-O 3.46Å; V214-T218 HydrophobicContact CG1-CG2 4.41Å; V214-T218 WeakPolarHBondContact O-CB 3.4Å; V214-T218 VanDerWaalsContact O-CG2 3.26Å; V214-T218 WeakPolarHBondContact O-CG2 3.46Å; V214-T218 PolarHBondContact O-N 3.48Å; V214-T218 PolarHBondContact O-OG1 3.44Å; I215-T218 PolarHBondContact O-N 3.21Å; I215-T218 PolarHBondContact O-OG1 2.95Å; K216-T218 PolarHBondContact O-N 2.9Å; T218-V246 HydrophobicContact CG2-CG1 3.9Å; T218-G248 VanDerWaalsContact CG2-CA 3.47Å; T218-Y249 WeakPolarHBondContact OG1-CB 3.42Å
219	S	94.3	Very high	93.6	Very high	21 Å²	21	40.8 Å²	40.8	15%	0.147	23%	0.227	C	C	.	.	S	Bend	trans	-88.3	159.7	175	77	0	0	0	0	112.4	G114 I215 K216 S221 S222	G114-S219 WeakPolarHBondContact O-CA 3.34Å; I215-S219 WeakPolarHBondContact O-CB 3.01Å; I215-S219 PolarHBondContact O-N 3.19Å; K216-S219 PolarHBondContact O-N 2.89Å; K216-S219 VanDerWaalsContact O-N 3.14Å; K216-S219 PolarHBondContact O-OG 3.03Å; S219-S221 PolarHBondContact O-N 3.03Å; S219-S221 VanDerWaalsContact O-N 3.14Å; S219-S221 PolarHBondContact OG-OG 3.49Å; S219-S222 PolarHBondContact O-N 2.94Å; S219-S222 PolarHBondContact O-OG 2.89Å
220	G	80.7	Confident	93.7	Very high	66 Å²	66	35.8 Å²	35.8	68%	0.68	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-4.7	-176.1	0	0	0	0	0	116
221	S	73.5	Confident	93.7	Very high	104 Å²	104	36.3 Å²	36.3	73%	0.727	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-3	179.4	64	0	0	0	0	113.9	S219	S219-S221 PolarHBondContact O-N 3.03Å; S219-S221 VanDerWaalsContact O-N 3.14Å; S219-S221 PolarHBondContact OG-OG 3.49Å
222	S	74	Confident	93.7	Very high	30 Å²	30	34.3 Å²	34.3	21%	0.21	20%	0.202	C	C	.	.			trans	-87	131.6	-174.1	65.9	0	0	0	0	113.6	K216 M217 S219	K216-S222 VanDerWaalsContact O-CB 3.24Å; K216-S222 WeakPolarHBondContact O-CB 3.46Å; K216-S222 PolarHBondContact O-OG 2.87Å; M217-S222 PolarHBondContact O-OG 2.89Å; S219-S222 PolarHBondContact O-N 2.94Å; S219-S222 PolarHBondContact O-OG 2.89Å
223	E	82.6	Confident	93.7	Very high	162 Å²	162	33.4 Å²	33.4	76%	0.757	20%	0.203	S	C	*	.			trans	-89.1	114.5	163.8	-62.1	-171	151.5	0	0	108.6	R297	E223-R297 WeakPolarHBondContact O-CD 3.24Å; E223-R297 WeakPolarHBondContact O-CG 3.48Å; E223-R297 PolarHBondContact O-NE 3.43Å
224	G	93.1	Very high	93.6	Very high	11 Å²	11	34.1 Å²	34.1	11%	0.113	21%	0.211	C	C	.	.	S	Bend	trans	115.5	-167.4	174.7	0	0	0	0	0	114.9	M217 L296	M217-G224 WeakPolarHBondContact CE-O 3.35Å; G224-L296 CarbonylContact C-O 3.54Å; G224-L296 WeakPolarHBondContact CA-O 3.46Å
225	Y	97.6	Very high	93.5	Very high	20 Å²	20	34.2 Å²	34.2	8%	0.078	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	154.6	-177.3	-61	-80.7	0	0	0	111.6	S121 L122 I143 A146 L147 L296	S121-Y225 WeakPolarHBondContact CB-OH 3.27Å; S121-Y225 PolarHBondContact OG-OH 2.91Å; L122-Y225 HydrophobicContact CD1-CD1 3.9Å; L122-Y225 HydrophobicContact CD1-CE1 4.43Å; L122-Y225 HydrophobicContact CD2-CD1 3.86Å; L122-Y225 HydrophobicContact CD2-CE1 4.19Å; L122-Y225 HydrophobicContact CD2-CG 4.3Å; L122-Y225 HydrophobicContact CG-CD1 3.76Å; L122-Y225 HydrophobicContact CG-CE1 3.9Å; I143-Y225 HydrophobicContact CD1-CD2 4.5Å; I143-Y225 HydrophobicContact CD1-CG 4.04Å; I143-Y225 HydrophobicContact CG2-CD2 4Å; I143-Y225 HydrophobicContact CG2-CG 4.5Å; A146-Y225 HydrophobicContact CB-CD2 4.35Å; A146-Y225 HydrophobicContact CB-CE1 4.15Å; A146-Y225 HydrophobicContact CB-CE2 3.65Å; A146-Y225 PolarHBondContact O-OH 2.88Å; L147-Y225 HydrophobicContact CD2-CD2 3.88Å; L147-Y225 HydrophobicContact CD2-CE2 3.65Å; L147-Y225 HydrophobicContact CG-CD2 3.89Å; L147-Y225 HydrophobicContact CG-CE2 3.75Å; Y225-L296 PolarHBondContact N-O 3.46Å; Y225-L296 PolarHBondContact O-N 3.3Å
226	L	98.6	Very high	93.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.6	178.1	175.7	62.8	0	0	0	109.9	F210 V213 V214 M217 V246 F293 V294 V295	F210-L226 HydrophobicContact CE2-CD2 4.42Å; V213-L226 HydrophobicContact CG1-CD1 4.31Å; V213-L226 HydrophobicContact CG1-CD2 4.48Å; V214-L226 HydrophobicContact CB-CD2 4.47Å; V214-L226 HydrophobicContact CG2-CD2 3.71Å; M217-L226 HydrophobicContact CB-CB 3.94Å; M217-L226 HydrophobicContact CG-CB 4.21Å; L226-V246 HydrophobicContact CB-CB 4.09Å; L226-V246 HydrophobicContact CB-CG2 4.43Å; L226-V246 HydrophobicContact CD2-CB 3.95Å; L226-V246 HydrophobicContact CD2-CG1 4.16Å; L226-V246 HydrophobicContact CD2-CG2 3.79Å; L226-V246 HydrophobicContact CG-CB 4Å; L226-V246 HydrophobicContact CG-CG2 3.83Å; L226-V246 PolarHBondContact O-N 3.19Å; L226-F293 HydrophobicContact CD1-CB 3.89Å; L226-F293 HydrophobicContact CD1-CD2 3.66Å; L226-F293 HydrophobicContact CD1-CG 4.14Å; L226-V294 WeakPolarHBondContact CD1-O 3.5Å; L226-V295 HydrophobicContact CD1-CG2 4.18Å
227	V	98.9	Very high	93.5	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133	170.4	175.4	0	0	0	0	108.6	I143 F185 F243 P245 F293 V294 L296	I143-V227 HydrophobicContact CD1-CG2 3.87Å; I143-V227 HydrophobicContact CG1-CG2 3.63Å; F185-V227 HydrophobicContact CE2-CG1 4.24Å; F185-V227 HydrophobicContact CZ-CB 4.34Å; F185-V227 HydrophobicContact CZ-CG1 4.08Å; F185-V227 HydrophobicContact CZ-CG2 4.33Å; V227-F243 HydrophobicContact CG1-CB 4.37Å; V227-F243 HydrophobicContact CG1-CD1 4.26Å; V227-P245 HydrophobicContact CG2-CB 4.47Å; V227-P245 HydrophobicContact CG2-CG 4.42Å; V227-F293 CarbonylContact O-C 3.5Å; V227-F293 VanDerWaalsContact O-CA 3.3Å; V227-F293 WeakPolarHBondContact O-CA 3.32Å; V227-V294 HydrophobicContact CB-CG2 3.83Å; V227-V294 HydrophobicContact CG1-CG2 4.49Å; V227-V294 PolarHBondContact N-O 3.04Å; V227-V294 PolarHBondContact O-N 3.31Å; V227-L296 HydrophobicContact CB-CD1 4.27Å; V227-L296 HydrophobicContact CG2-CD1 3.74Å
228	V	98.9	Very high	93.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	140.7	176	-67.4	0	0	0	0	110.1	F210 Y230 F243 A244 V246 L258 L276 M280 F293	F210-V228 HydrophobicContact CE2-CG1 4.36Å; F210-V228 HydrophobicContact CZ-CG1 4.26Å; V228-Y230 HydrophobicContact CB-CD1 4.38Å; V228-Y230 HydrophobicContact CG2-CD1 3.8Å; V228-Y230 HydrophobicContact CG2-CE1 4.07Å; V228-F243 CarbonylContact O-C 3.49Å; V228-F243 VanDerWaalsContact O-CA 3.25Å; V228-F243 WeakPolarHBondContact O-CA 3.31Å; V228-A244 HydrophobicContact CG2-CB 4.43Å; V228-A244 WeakPolarHBondContact CG2-O 3.48Å; V228-A244 PolarHBondContact N-O 2.81Å; V228-A244 PolarHBondContact O-N 2.84Å; V228-V246 HydrophobicContact CG1-CG2 3.75Å; V228-V246 HydrophobicContact CG2-CG2 4.19Å; V228-L258 HydrophobicContact CG2-CD2 3.7Å; V228-L276 HydrophobicContact CG1-CD2 4.36Å; V228-L276 HydrophobicContact CG2-CD1 4.36Å; V228-M280 HydrophobicContact CB-SD 3.92Å; V228-M280 HydrophobicContact CG1-SD 3.82Å; V228-F293 HydrophobicContact CG1-CB 3.97Å
229	C	98.7	Very high	93.1	Very high	0 Å²	0	33 Å²	33	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.3	169.4	-177.6	0	0	0	0	108	L182 H242 F243 M280 R291 G292	L182-C229 HydrophobicContact CD1-CB 3.97Å; L182-C229 HydrophobicContact CD2-CB 4.32Å; C229-H242 CarbonylContact C-O 3.53Å; C229-H242 WeakPolarHBondContact CA-O 3.24Å; C229-F243 HydrophobicContact CB-CD1 3.81Å; C229-F243 HydrophobicContact CB-CE1 3.63Å; C229-F243 HydrophobicContact CB-CG 4.47Å; C229-F243 HydrophobicContact CB-CZ 4.14Å; C229-F243 VanDerWaalsContact SG-CZ 3.55Å; C229-M280 WeakPolarHBondContact O-CG 3.36Å; C229-R291 HydrophobicContact CB-CB 4.36Å; C229-R291 WeakPolarHBondContact O-CB 3.47Å; C229-R291 PolarHBondContact SG-NH1 3.45Å; C229-R291 VanDerWaalsContact SG-NH1 3.4Å; C229-G292 WeakPolarHBondContact CA-O 3.37Å; C229-G292 PolarHBondContact N-O 3.27Å; C229-G292 PolarHBondContact O-N 3.48Å
230	Y	98.6	Very high	93	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	160.7	-171	65.3	-93.7	0	0	0	113.1	V228 R232 L235 G241 H242 A244 L258 L276 S279 R291	V228-Y230 HydrophobicContact CB-CD1 4.38Å; V228-Y230 HydrophobicContact CG2-CD1 3.8Å; V228-Y230 HydrophobicContact CG2-CE1 4.07Å; Y230-R232 HydrophobicContact CE2-CG 4.07Å; Y230-L235 HydrophobicContact CD2-CD1 3.5Å; Y230-L235 HydrophobicContact CD2-CG 4.27Å; Y230-L235 HydrophobicContact CE2-CD1 3.46Å; Y230-L235 VanDerWaalsContact CE2-CD1 3.46Å; Y230-L235 HydrophobicContact CG-CD1 4.33Å; Y230-G241 CarbonylContact O-C 3.53Å; Y230-G241 WeakPolarHBondContact O-CA 3.38Å; Y230-H242 HydrophobicContact CE2-CB 4.28Å; Y230-H242 AromaticContact CZ-CD2 3.76Å; Y230-H242 PolarHBondContact N-O 3.5Å; Y230-H242 PolarHBondContact O-N 2.93Å; Y230-H242 PolarHBondContact OH-CD2 3.07Å; Y230-A244 HydrophobicContact CE1-CB 4.05Å; Y230-L258 HydrophobicContact CE1-CD1 3.85Å; Y230-L276 HydrophobicContact CD1-CD1 3.98Å; Y230-L276 HydrophobicContact CG-CD1 4.02Å; Y230-S279 WeakPolarHBondContact CB-OG 3.23Å; Y230-R291 VanDerWaalsContact C-CD 3.46Å
231	S	98.2	Very high	93.7	Very high	10 Å²	10	35.3 Å²	35.3	7%	0.07	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	117.4	173.4	173.9	0	0	0	0	111.1	S233 A234 L235 S279	S231-S233 VanDerWaalsContact C-N 3.33Å; S231-S233 PolarHBondContact O-N 3.08Å; S231-S233 PolarHBondContact OG-OG 2.87Å; S231-A234 PolarHBondContact O-N 2.81Å; S231-A234 PolarHBondContact OG-N 2.94Å; S231-L235 PolarHBondContact O-N 3.27Å; S231-S279 WeakPolarHBondContact CB-O 3.41Å; S231-S279 PolarHBondContact N-O 3.12Å
232	R	98.1	Very high	94.9	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.015	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-43.2	174.1	-79.9	-161.9	-176.7	-91.7	10.8	111.6	Y230 A234 L235 G236 Q237 T240 H242 D260	Y230-R232 HydrophobicContact CE2-CG 4.07Å; R232-A234 VanDerWaalsContact C-N 3.3Å; R232-A234 PolarHBondContact O-N 3.23Å; R232-L235 CarbonylContact O-C 3.5Å; R232-L235 WeakPolarHBondContact O-CA 3.47Å; R232-L235 PolarHBondContact O-N 3.25Å; R232-G236 PolarHBondContact O-N 3.29Å; R232-Q237 CarbonylContact C-O 3.55Å; R232-Q237 HydrophobicContact CB-CB 3.87Å; R232-Q237 HydrophobicContact CG-CB 4.25Å; R232-Q237 WeakPolarHBondContact O-CA 3.47Å; R232-Q237 WeakPolarHBondContact O-CB 3.36Å; R232-Q237 PolarHBondContact O-N 3.13Å; R232-T240 WeakPolarHBondContact CB-O 3.3Å; R232-T240 PolarHBondContact N-O 3.13Å; R232-H242 HydrophobicContact CG-CB 3.88Å; R232-H242 PolarHBondContact NH2-CD2 3.45Å; R232-H242 PolarHBondContact NH2-CE1 3.13Å; R232-H242 VanDerWaalsContact NH2-CG 3.31Å; R232-H242 PolarHBondContact NH2-ND1 2.86Å; R232-H242 PolarHBondContact NH2-NE2 3.12Å; R232-D260 IonicContact CZ-OD1 3.01Å; R232-D260 IonicContact CZ-OD2 2.69Å; R232-D260 IonicContact NH1-OD2 3.74Å; R232-D260 PolarHBondContact NH1-OD2 2.76Å; R232-D260 IonicContact NH2-OD1 3.86Å; R232-D260 PolarHBondContact NH2-OD1 3.06Å; R232-D260 IonicContact NH2-OD2 3.59Å; R232-D260 PolarHBondContact NH2-OD2 3.48Å
233	S	96.8	Very high	96	Very high	77 Å²	77	29.3 Å²	29.3	54%	0.538	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-38.1	-179.3	60.4	0	0	0	0	112.2	S231 L235 G236 Q237 G239	S231-S233 VanDerWaalsContact C-N 3.33Å; S231-S233 PolarHBondContact O-N 3.08Å; S231-S233 PolarHBondContact OG-OG 2.87Å; S233-L235 VanDerWaalsContact C-N 3.28Å; S233-L235 PolarHBondContact O-N 2.85Å; S233-G236 WeakPolarHBondContact O-CA 3.45Å; S233-G236 PolarHBondContact O-N 3.48Å; S233-Q237 WeakPolarHBondContact CA-O 3.38Å; S233-G239 PolarHBondContact N-O 3.01Å
234	A	96.5	Very high	96.8	Very high	30 Å²	30	21.6 Å²	21.6	25%	0.248	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-25.3	175.2	0	0	0	0	0	113.4	S231 R232 G236 F278 Q282	S231-A234 PolarHBondContact O-N 2.81Å; S231-A234 PolarHBondContact OG-N 2.94Å; R232-A234 VanDerWaalsContact C-N 3.3Å; R232-A234 PolarHBondContact O-N 3.23Å; A234-G236 VanDerWaalsContact C-N 3.26Å; A234-F278 HydrophobicContact CB-CD1 4.3Å; A234-F278 HydrophobicContact CB-CE1 4.15Å; A234-Q282 HydrophobicContact CB-CG 3.63Å
235	L	95.9	Very high	97.1	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	3.9	166.9	-73.5	-176.9	0	0	0	113.5	H94 Y230 S231 R232 S233 Q237 V271 K275 L276	H94-L235 PolarHBondContact CE1-O 3.14Å; H94-L235 PolarHBondContact NE2-O 3.13Å; Y230-L235 HydrophobicContact CD2-CD1 3.5Å; Y230-L235 HydrophobicContact CD2-CG 4.27Å; Y230-L235 HydrophobicContact CE2-CD1 3.46Å; Y230-L235 VanDerWaalsContact CE2-CD1 3.46Å; Y230-L235 HydrophobicContact CG-CD1 4.33Å; S231-L235 PolarHBondContact O-N 3.27Å; R232-L235 CarbonylContact O-C 3.5Å; R232-L235 WeakPolarHBondContact O-CA 3.47Å; R232-L235 PolarHBondContact O-N 3.25Å; S233-L235 VanDerWaalsContact C-N 3.28Å; S233-L235 PolarHBondContact O-N 2.85Å; L235-Q237 HydrophobicContact CB-CG 4.23Å; L235-Q237 PolarHBondContact O-N 3.36Å; L235-V271 HydrophobicContact CD1-CG1 4.49Å; L235-K275 HydrophobicContact CD2-CB 3.88Å; L235-K275 WeakPolarHBondContact CD2-O 3.46Å; L235-L276 HydrophobicContact CD1-CD1 4.36Å
236	G	96.7	Very high	97.1	Very high	51 Å²	51	20.2 Å²	20.2	53%	0.526	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	10.3	-175.8	0	0	0	0	0	114.3	P92 R232 S233 A234	P92-G236 VanDerWaalsContact CG-C 3.45Å; P92-G236 VanDerWaalsContact CG-O 3.23Å; P92-G236 WeakPolarHBondContact CG-O 2.94Å; R232-G236 PolarHBondContact O-N 3.29Å; S233-G236 WeakPolarHBondContact O-CA 3.45Å; S233-G236 PolarHBondContact O-N 3.48Å; A234-G236 VanDerWaalsContact C-N 3.26Å
237	Q	97.3	Very high	97.1	Very high	7 Å²	7	20.1 Å²	20.1	3%	0.033	15%	0.148	C	C	.	.			trans	-90.7	159.9	179	-60.2	-178.8	96	0	0	111.6	P92 R232 S233 L235 G239 Y266	P92-Q237 HydrophobicContact CG-CG 3.8Å; R232-Q237 CarbonylContact C-O 3.55Å; R232-Q237 HydrophobicContact CB-CB 3.87Å; R232-Q237 HydrophobicContact CG-CB 4.25Å; R232-Q237 WeakPolarHBondContact O-CA 3.47Å; R232-Q237 WeakPolarHBondContact O-CB 3.36Å; R232-Q237 PolarHBondContact O-N 3.13Å; S233-Q237 WeakPolarHBondContact CA-O 3.38Å; L235-Q237 HydrophobicContact CB-CG 4.23Å; L235-Q237 PolarHBondContact O-N 3.36Å; Q237-G239 PolarHBondContact O-N 3.17Å; Q237-Y266 HydrophobicContact CB-CE2 3.9Å; Q237-Y266 HydrophobicContact CG-CE2 4.35Å
238	T	94.2	Very high	97.1	Very high	66 Å²	66	20 Å²	20	41%	0.405	15%	0.148	S	C	.	.	S	Bend	trans	-80.9	117.4	176.1	-52.7	0	0	0	0	111.5	K265 Y266	T238-K265 WeakPolarHBondContact O-CD 3.28Å; T238-K265 PolarHBondContact O-NZ 2.92Å; T238-Y266 PolarHBondContact N-OH 3.07Å
239	G	92.7	Very high	97.1	Very high	30 Å²	30	20.1 Å²	20.1	31%	0.309	15%	0.149	S	C	.	.	S	Bend	trans	136.9	-179.3	175.8	0	0	0	0	0	112	S233 Q237	S233-G239 PolarHBondContact N-O 3.01Å; Q237-G239 PolarHBondContact O-N 3.17Å
240	T	91.6	Very high	97.1	Very high	114 Å²	114	20.2 Å²	20.2	70%	0.699	15%	0.149	S	C	*	.	S	Bend	trans	-96.8	-113.2	-179.5	54.2	0	0	0	0	110.3	R232	R232-T240 WeakPolarHBondContact CB-O 3.3Å; R232-T240 PolarHBondContact N-O 3.13Å
241	G	95.2	Very high	97	Very high	21 Å²	21	22 Å²	22	22%	0.216	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	154.6	175.1	0	0	0	0	0	112.9	Y230 R291	Y230-G241 CarbonylContact O-C 3.53Å; Y230-G241 WeakPolarHBondContact O-CA 3.38Å; G241-R291 VanDerWaalsContact CA-CZ 3.49Å
242	H	98.2	Very high	97	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.019	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	149.1	172.7	-169.9	62.5	0	0	0	111.7	C135 C229 Y230 R232 D260	C135-H242 WeakPolarHBondContact CB-CE1 3.43Å; C135-H242 WeakPolarHBondContact CB-ND1 3.43Å; C229-H242 CarbonylContact C-O 3.53Å; C229-H242 WeakPolarHBondContact CA-O 3.24Å; Y230-H242 HydrophobicContact CE2-CB 4.28Å; Y230-H242 AromaticContact CZ-CD2 3.76Å; Y230-H242 PolarHBondContact N-O 3.5Å; Y230-H242 PolarHBondContact O-N 2.93Å; Y230-H242 PolarHBondContact OH-CD2 3.07Å; R232-H242 HydrophobicContact CG-CB 3.88Å; R232-H242 PolarHBondContact NH2-CD2 3.45Å; R232-H242 PolarHBondContact NH2-CE1 3.13Å; R232-H242 VanDerWaalsContact NH2-CG 3.31Å; R232-H242 PolarHBondContact NH2-ND1 2.86Å; R232-H242 PolarHBondContact NH2-NE2 3.12Å; H242-D260 IonicContact CE1-OD1 3.38Å; H242-D260 IonicContact NE2-OD1 3.13Å; H242-D260 PolarHBondContact NE2-OD1 3.26Å; H242-D260 IonicContact NE2-OD2 3.67Å
243	F	98.7	Very high	97	Very high	5 Å²	5	32.8 Å²	32.8	2%	0.022	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	138.5	171.3	-66	-100.9	0	0	0	109.7	S139 I180 L182 F185 V227 V228 C229	S139-F243 PolarHBondContact OG-O 3.48Å; I180-F243 HydrophobicContact CG1-CE2 4.28Å; I180-F243 WeakPolarHBondContact O-CE2 3.31Å; L182-F243 HydrophobicContact CD1-CE1 3.84Å; F185-F243 HydrophobicContact CB-CE1 3.79Å; F185-F243 HydrophobicContact CB-CZ 4.13Å; F185-F243 AromaticContact CD2-CD1 3.7Å; F185-F243 HydrophobicContact CD2-CD1 3.7Å; F185-F243 AromaticContact CD2-CE1 3.69Å; F185-F243 HydrophobicContact CD2-CE1 3.69Å; F185-F243 HydrophobicContact CD2-CG 4.42Å; F185-F243 HydrophobicContact CD2-CZ 4.43Å; F185-F243 HydrophobicContact CE2-CD1 4.13Å; F185-F243 HydrophobicContact CG-CD1 4.24Å; F185-F243 AromaticContact CG-CE1 3.83Å; F185-F243 HydrophobicContact CG-CE1 3.83Å; V227-F243 HydrophobicContact CG1-CB 4.37Å; V227-F243 HydrophobicContact CG1-CD1 4.26Å; V228-F243 CarbonylContact O-C 3.49Å; V228-F243 VanDerWaalsContact O-CA 3.25Å; V228-F243 WeakPolarHBondContact O-CA 3.31Å; C229-F243 HydrophobicContact CB-CD1 3.81Å; C229-F243 HydrophobicContact CB-CE1 3.63Å; C229-F243 HydrophobicContact CB-CG 4.47Å; C229-F243 HydrophobicContact CB-CZ 4.14Å; C229-F243 VanDerWaalsContact SG-CZ 3.55Å
244	A	98.7	Very high	97	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	137.3	172.2	0	0	0	0	0	111	V228 Y230 L258	V228-A244 HydrophobicContact CG2-CB 4.43Å; V228-A244 WeakPolarHBondContact CG2-O 3.48Å; V228-A244 PolarHBondContact N-O 2.81Å; V228-A244 PolarHBondContact O-N 2.84Å; Y230-A244 HydrophobicContact CE1-CB 4.05Å; A244-L258 HydrophobicContact CB-CB 4.18Å
245	P	98.8	Very high	97.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	139.6	165.6	-22.3	35.7	0	0	0	111.2	L122 M142 I143 V227 F259	L122-P245 HydrophobicContact CD1-CB 4.05Å; L122-P245 HydrophobicContact CD2-CB 4.16Å; M142-P245 HydrophobicContact CB-CG 4.33Å; M142-P245 HydrophobicContact CE-CB 4.45Å; M142-P245 HydrophobicContact CE-CG 3.98Å; M142-P245 HydrophobicContact SD-CG 3.91Å; I143-P245 HydrophobicContact CD1-CB 4.12Å; I143-P245 HydrophobicContact CD1-CG 4.23Å; V227-P245 HydrophobicContact CG2-CB 4.47Å; V227-P245 HydrophobicContact CG2-CG 4.42Å; P245-F259 HydrophobicContact CB-CB 4.34Å; P245-F259 HydrophobicContact CB-CD2 4.48Å; P245-F259 WeakPolarHBondContact CD-O 3.49Å; P245-F259 HydrophobicContact CG-CB 4.46Å; P245-F259 PolarHBondContact O-N 3.19Å
246	V	98.8	Very high	97.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	119.4	169.9	174.8	0	0	0	0	108	L122 T218 L226 V228 V256 F257 L258	L122-V246 WeakPolarHBondContact CD1-O 3.45Å; T218-V246 HydrophobicContact CG2-CG1 3.9Å; L226-V246 HydrophobicContact CB-CB 4.09Å; L226-V246 HydrophobicContact CB-CG2 4.43Å; L226-V246 HydrophobicContact CD2-CB 3.95Å; L226-V246 HydrophobicContact CD2-CG1 4.16Å; L226-V246 HydrophobicContact CD2-CG2 3.79Å; L226-V246 HydrophobicContact CG-CB 4Å; L226-V246 HydrophobicContact CG-CG2 3.83Å; L226-V246 PolarHBondContact O-N 3.19Å; V228-V246 HydrophobicContact CG1-CG2 3.75Å; V228-V246 HydrophobicContact CG2-CG2 4.19Å; V246-V256 HydrophobicContact CB-CG1 4.36Å; V246-V256 HydrophobicContact CG1-CG1 3.57Å; V246-V256 HydrophobicContact CG2-CG1 3.94Å; V246-F257 WeakPolarHBondContact CA-O 3.49Å; V246-L258 HydrophobicContact CG2-CD2 3.85Å
247	G	98.1	Very high	97.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-12	-178	0	0	0	0	0	114.7	S118 Y119 F257	S118-G247 PolarHBondContact OG-O 3.06Å; Y119-G247 WeakPolarHBondContact CA-O 3.31Å; Y119-G247 WeakPolarHBondContact CB-O 3.28Å; Y119-G247 PolarHBondContact N-O 3.01Å; G247-F257 PolarHBondContact N-O 3.39Å
248	G	98.3	Very high	97.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.3	171.2	-176.7	0	0	0	0	0	114.1	H115 T218 F257	H115-G248 CarbonylContact O-C 3.49Å; H115-G248 WeakPolarHBondContact O-CA 3.29Å; T218-G248 VanDerWaalsContact CG2-CA 3.47Å; G248-F257 PolarHBondContact O-N 2.88Å
249	Y	98.7	Very high	97.7	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	140.3	-176.4	-179.9	-119.9	0	0	0	111	A110 H115 Q211 V214 I215 T218 P251 L255 V256 L273	A110-Y249 WeakPolarHBondContact CB-O 3.39Å; H115-Y249 WeakPolarHBondContact CB-O 3.34Å; H115-Y249 PolarHBondContact O-N 3.29Å; Q211-Y249 PolarHBondContact NE2-OH 3.37Å; V214-Y249 HydrophobicContact CG1-CD1 4.34Å; V214-Y249 HydrophobicContact CG1-CD2 3.53Å; V214-Y249 HydrophobicContact CG1-CE2 4.29Å; V214-Y249 HydrophobicContact CG1-CG 3.56Å; I215-Y249 HydrophobicContact CD1-CE1 4.05Å; I215-Y249 HydrophobicContact CG1-CD1 3.67Å; I215-Y249 HydrophobicContact CG1-CE1 3.48Å; I215-Y249 VanDerWaalsContact CG1-CE1 3.48Å; T218-Y249 WeakPolarHBondContact OG1-CB 3.42Å; Y249-P251 HydrophobicContact CD1-CB 4.44Å; Y249-P251 HydrophobicContact CE1-CB 3.91Å; Y249-L255 CarbonylContact C-O 3.59Å; Y249-L255 WeakPolarHBondContact CA-O 3.24Å; Y249-L255 VanDerWaalsContact CD2-O 3.24Å; Y249-L255 WeakPolarHBondContact CD2-O 3.36Å; Y249-V256 HydrophobicContact CD2-CG2 4.12Å; Y249-V256 HydrophobicContact CE2-CG2 4.49Å; Y249-L273 HydrophobicContact CE2-CD1 4.32Å
250	H	98.6	Very high	98	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.009	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	109.6	170.4	-172	-45.1	0	0	0	108.9	I106 E109 A110 D252 R253 E254 L255 W270	I106-H250 HydrophobicContact CG2-CB 4.06Å; E109-H250 WeakPolarHBondContact CB-NE2 3.42Å; E109-H250 IonicContact OE2-CD2 3.92Å; E109-H250 IonicContact OE2-NE2 3.91Å; E109-H250 PolarHBondContact OE2-NE2 3.13Å; A110-H250 HydrophobicContact CB-CB 4.23Å; H250-D252 IonicContact CE1-OD2 3.07Å; H250-D252 PolarHBondContact ND1-N 3.06Å; H250-R253 PolarHBondContact ND1-N 3.18Å; H250-E254 VanDerWaalsContact O-CA 3.28Å; H250-E254 WeakPolarHBondContact O-CA 3.28Å; H250-E254 PolarHBondContact O-N 2.89Å; H250-L255 HydrophobicContact CB-CB 4.19Å; H250-L255 PolarHBondContact N-O 3.02Å; H250-L255 PolarHBondContact O-N 2.9Å; H250-L255 VanDerWaalsContact O-N 3.17Å; H250-W270 HydrophobicContact CB-CZ3 4.22Å
251	P	97	Very high	98.3	Very high	37 Å²	37	19.9 Å²	19.9	24%	0.24	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-50	-175.4	21.5	-30.5	0	0	0	113.3	Y249 R253 E254	Y249-P251 HydrophobicContact CD1-CB 4.44Å; Y249-P251 HydrophobicContact CE1-CB 3.91Å; P251-R253 VanDerWaalsContact C-N 3.31Å; P251-R253 PolarHBondContact O-N 3.08Å; P251-E254 PolarHBondContact O-N 2.77Å
252	D	97.4	Very high	98.4	Very high	142 Å²	142	19 Å²	19	76%	0.759	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-27.4	-173	-45.4	-42.3	0	0	0	114.4	H250	H250-D252 IonicContact CE1-OD2 3.07Å; H250-D252 PolarHBondContact ND1-N 3.06Å
253	R	98	Very high	98.3	Very high	98 Å²	98	23.9 Å²	23.9	37%	0.37	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-4.4	178.4	-59.8	-178.7	-167.3	-117.8	1.4	112.7	H105 E109 H250 P251 L255	H105-R253 PolarHBondContact CD2-NH2 3.08Å; H105-R253 PolarHBondContact NE2-NH2 3.06Å; E109-R253 IonicContact OE1-NH2 2.75Å; E109-R253 PolarHBondContact OE1-NH2 3.06Å; E109-R253 IonicContact OE2-CZ 2.76Å; E109-R253 IonicContact OE2-NE 3.21Å; E109-R253 PolarHBondContact OE2-NE 2.97Å; E109-R253 IonicContact OE2-NH2 3.87Å; E109-R253 PolarHBondContact OE2-NH2 3.27Å; H250-R253 PolarHBondContact ND1-N 3.18Å; P251-R253 VanDerWaalsContact C-N 3.31Å; P251-R253 PolarHBondContact O-N 3.08Å; R253-L255 VanDerWaalsContact C-N 3.29Å; R253-L255 HydrophobicContact CB-CD1 3.89Å; R253-L255 HydrophobicContact CB-CG 3.87Å; R253-L255 PolarHBondContact O-N 3.38Å
254	E	98.4	Very high	98.2	Very high	83 Å²	83	27.9 Å²	27.9	39%	0.388	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	49	-174.4	-56.4	-174.3	107.3	0	0	113	Q211 H250 P251 L273	Q211-E254 PolarHBondContact NE2-OE1 3.19Å; H250-E254 VanDerWaalsContact O-CA 3.28Å; H250-E254 WeakPolarHBondContact O-CA 3.28Å; H250-E254 PolarHBondContact O-N 2.89Å; P251-E254 PolarHBondContact O-N 2.77Å; E254-L273 HydrophobicContact CB-CB 4.28Å; E254-L273 WeakPolarHBondContact O-CB 3.46Å; E254-L273 PolarHBondContact O-N 3.26Å
255	L	98.8	Very high	98.2	Very high	16 Å²	16	30.5 Å²	30.5	8%	0.084	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.7	-179.6	-63	174.9	0	0	0	111.4	I96 I106 Y249 H250 R253 W270 V271	I96-L255 HydrophobicContact CD1-CD1 4.1Å; I106-L255 HydrophobicContact CD1-CD1 3.63Å; I106-L255 HydrophobicContact CG1-CD1 4.29Å; I106-L255 HydrophobicContact CG2-CD1 4.08Å; Y249-L255 CarbonylContact C-O 3.59Å; Y249-L255 WeakPolarHBondContact CA-O 3.24Å; Y249-L255 VanDerWaalsContact CD2-O 3.24Å; Y249-L255 WeakPolarHBondContact CD2-O 3.36Å; H250-L255 HydrophobicContact CB-CB 4.19Å; H250-L255 PolarHBondContact N-O 3.02Å; H250-L255 PolarHBondContact O-N 2.9Å; H250-L255 VanDerWaalsContact O-N 3.17Å; R253-L255 VanDerWaalsContact C-N 3.29Å; R253-L255 HydrophobicContact CB-CD1 3.89Å; R253-L255 HydrophobicContact CB-CG 3.87Å; R253-L255 PolarHBondContact O-N 3.38Å; L255-W270 HydrophobicContact CB-CB 4.37Å; L255-W270 HydrophobicContact CB-CE3 3.83Å; L255-W270 HydrophobicContact CD1-CB 4.34Å; L255-V271 CarbonylContact C-O 3.19Å; L255-V271 VanDerWaalsContact CA-O 3.31Å; L255-V271 WeakPolarHBondContact CA-O 3.27Å
256	V	98.9	Very high	98.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132	175.1	-174.8	0	0	0	0	109.2	V214 V246 Y249 L258 W270 V271 L273 L276	V214-V256 HydrophobicContact CG1-CG2 4.27Å; V246-V256 HydrophobicContact CB-CG1 4.36Å; V246-V256 HydrophobicContact CG1-CG1 3.57Å; V246-V256 HydrophobicContact CG2-CG1 3.94Å; Y249-V256 HydrophobicContact CD2-CG2 4.12Å; Y249-V256 HydrophobicContact CE2-CG2 4.49Å; V256-L258 HydrophobicContact CG1-CD2 3.97Å; V256-W270 WeakPolarHBondContact O-CA 3.24Å; V256-V271 HydrophobicContact CB-CG2 4.2Å; V256-V271 PolarHBondContact N-O 3.38Å; V256-V271 PolarHBondContact O-N 2.98Å; V256-L273 HydrophobicContact CG2-CB 4.28Å; V256-L273 HydrophobicContact CG2-CD1 3.56Å; V256-L276 HydrophobicContact CB-CD2 3.98Å; V256-L276 HydrophobicContact CG1-CD2 3.95Å; V256-L276 HydrophobicContact CG2-CD2 4.14Å
257	F	98.9	Very high	98	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.6	175.7	178.2	-117	0	0	0	111.2	F98 M116 Y119 V246 G247 G248 F259 P268 W270	F98-F257 HydrophobicContact CB-CE2 3.81Å; F98-F257 HydrophobicContact CB-CZ 4.48Å; F98-F257 HydrophobicContact CD1-CE2 4.49Å; F98-F257 HydrophobicContact CD1-CZ 4.42Å; F98-F257 AromaticContact CD2-CD2 3.95Å; F98-F257 HydrophobicContact CD2-CD2 3.95Å; F98-F257 AromaticContact CD2-CE2 3.34Å; F98-F257 HydrophobicContact CD2-CE2 3.34Å; F98-F257 AromaticContact CD2-CZ 3.77Å; F98-F257 HydrophobicContact CD2-CZ 3.77Å; F98-F257 HydrophobicContact CE2-CE2 4.01Å; F98-F257 HydrophobicContact CE2-CZ 4.06Å; F98-F257 AromaticContact CG-CE2 3.63Å; F98-F257 HydrophobicContact CG-CE2 3.63Å; F98-F257 AromaticContact CG-CZ 3.98Å; F98-F257 HydrophobicContact CG-CZ 3.98Å; F98-F257 HydrophobicContact CZ-CZ 4.5Å; M116-F257 HydrophobicContact CE-CD1 4.06Å; M116-F257 HydrophobicContact CE-CG 4.47Å; Y119-F257 HydrophobicContact CD2-CD1 4.15Å; Y119-F257 AromaticContact CD2-CE1 3.62Å; Y119-F257 HydrophobicContact CD2-CE1 3.62Å; Y119-F257 HydrophobicContact CD2-CZ 4.46Å; Y119-F257 AromaticContact CE2-CE1 3.83Å; Y119-F257 HydrophobicContact CE2-CE1 3.83Å; Y119-F257 HydrophobicContact CE2-CZ 4.23Å; V246-F257 WeakPolarHBondContact CA-O 3.49Å; G247-F257 PolarHBondContact N-O 3.39Å; G248-F257 PolarHBondContact O-N 2.88Å; F257-F259 HydrophobicContact CD1-CE2 4.22Å; F257-F259 HydrophobicContact CE1-CD1 4.25Å; F257-F259 HydrophobicContact CE1-CD2 4.02Å; F257-F259 AromaticContact CE1-CE1 3.89Å; F257-F259 HydrophobicContact CE1-CE1 3.89Å; F257-F259 AromaticContact CE1-CE2 3.65Å; F257-F259 HydrophobicContact CE1-CE2 3.65Å; F257-F259 HydrophobicContact CE1-CG 4.32Å; F257-F259 AromaticContact CE1-CZ 3.59Å; F257-F259 HydrophobicContact CE1-CZ 3.59Å; F257-F259 HydrophobicContact CZ-CD1 4.41Å; F257-F259 HydrophobicContact CZ-CE1 4.2Å; F257-F259 HydrophobicContact CZ-CZ 4.34Å; F257-P268 HydrophobicContact CE2-CB 3.67Å; F257-P268 HydrophobicContact CZ-CB 3.64Å; F257-W270 HydrophobicContact CB-CD2 4.04Å; F257-W270 HydrophobicContact CB-CE3 3.69Å; F257-W270 HydrophobicContact CB-CH2 3.83Å; F257-W270 HydrophobicContact CB-CZ2 4.12Å; F257-W270 HydrophobicContact CB-CZ3 3.6Å; F257-W270 HydrophobicContact CD2-CD2 4.22Å; F257-W270 HydrophobicContact CD2-CZ2 4.39Å; F257-W270 HydrophobicContact CG-CZ2 4.39Å
258	L	98.9	Very high	98.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.2	-178.8	-58.6	-176.4	0	0	0	112	V228 Y230 A244 V246 V256 D260 P268 H269 V271 L276	V228-L258 HydrophobicContact CG2-CD2 3.7Å; Y230-L258 HydrophobicContact CE1-CD1 3.85Å; A244-L258 HydrophobicContact CB-CB 4.18Å; V246-L258 HydrophobicContact CG2-CD2 3.85Å; V256-L258 HydrophobicContact CG1-CD2 3.97Å; L258-D260 PolarHBondContact O-N 3.39Å; L258-P268 WeakPolarHBondContact O-CA 3.4Å; L258-H269 PolarHBondContact N-O 3.49Å; L258-H269 PolarHBondContact O-N 2.79Å; L258-V271 HydrophobicContact CD1-CG1 4.19Å; L258-V271 HydrophobicContact CD1-CG2 3.79Å; L258-V271 HydrophobicContact CG-CG2 4.08Å; L258-L276 HydrophobicContact CD1-CD1 4.2Å; L258-L276 HydrophobicContact CD2-CD2 4.23Å
259	F	98.7	Very high	98.1	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.026	16%	0.16	C	C	.	.			trans	-82.5	91	166.5	-76.4	-77.9	0	0	0	110.3	Y119 L122 A123 F126 M142 P245 F257 T261	Y119-F259 HydrophobicContact CD2-CE2 4.32Å; Y119-F259 AromaticContact CD2-CZ 3.71Å; Y119-F259 HydrophobicContact CD2-CZ 3.71Å; Y119-F259 HydrophobicContact CE2-CE1 4.41Å; Y119-F259 AromaticContact CE2-CZ 3.94Å; Y119-F259 HydrophobicContact CE2-CZ 3.94Å; L122-F259 HydrophobicContact CB-CD2 3.98Å; L122-F259 HydrophobicContact CB-CE2 3.47Å; L122-F259 VanDerWaalsContact CB-CE2 3.47Å; L122-F259 HydrophobicContact CB-CZ 4.01Å; L122-F259 HydrophobicContact CD1-CD2 4.18Å; L122-F259 HydrophobicContact CD1-CE2 4.08Å; L122-F259 HydrophobicContact CG-CE2 4.44Å; A123-F259 HydrophobicContact CB-CE1 4.21Å; A123-F259 HydrophobicContact CB-CZ 3.94Å; F126-F259 HydrophobicContact CB-CD1 4.13Å; F126-F259 HydrophobicContact CB-CE1 4.23Å; F126-F259 HydrophobicContact CD1-CD1 4.01Å; F126-F259 HydrophobicContact CD1-CE1 4.35Å; F126-F259 HydrophobicContact CD2-CB 4.1Å; F126-F259 AromaticContact CD2-CD1 3.72Å; F126-F259 HydrophobicContact CD2-CD1 3.72Å; F126-F259 HydrophobicContact CD2-CG 4.31Å; F126-F259 HydrophobicContact CE1-CD1 4.33Å; F126-F259 HydrophobicContact CE2-CB 4.02Å; F126-F259 HydrophobicContact CE2-CD1 4.06Å; F126-F259 AromaticContact CG-CD1 3.69Å; F126-F259 HydrophobicContact CG-CD1 3.69Å; F126-F259 HydrophobicContact CG-CE1 4.17Å; F126-F259 HydrophobicContact CZ-CD1 4.34Å; M142-F259 HydrophobicContact CE-CB 3.87Å; M142-F259 HydrophobicContact CE-CD1 4.27Å; M142-F259 HydrophobicContact CE-CD2 4.36Å; M142-F259 HydrophobicContact CE-CG 3.94Å; P245-F259 HydrophobicContact CB-CB 4.34Å; P245-F259 HydrophobicContact CB-CD2 4.48Å; P245-F259 WeakPolarHBondContact CD-O 3.49Å; P245-F259 HydrophobicContact CG-CB 4.46Å; P245-F259 PolarHBondContact O-N 3.19Å; F257-F259 HydrophobicContact CD1-CE2 4.22Å; F257-F259 HydrophobicContact CE1-CD1 4.25Å; F257-F259 HydrophobicContact CE1-CD2 4.02Å; F257-F259 AromaticContact CE1-CE1 3.89Å; F257-F259 HydrophobicContact CE1-CE1 3.89Å; F257-F259 AromaticContact CE1-CE2 3.65Å; F257-F259 HydrophobicContact CE1-CE2 3.65Å; F257-F259 HydrophobicContact CE1-CG 4.32Å; F257-F259 AromaticContact CE1-CZ 3.59Å; F257-F259 HydrophobicContact CE1-CZ 3.59Å; F257-F259 HydrophobicContact CZ-CD1 4.41Å; F257-F259 HydrophobicContact CZ-CE1 4.2Å; F257-F259 HydrophobicContact CZ-CZ 4.34Å; F259-T261 PolarHBondContact O-N 2.96Å
260	D	98.6	Very high	98.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.16	C	C	.	.			trans	-73.6	108	176.9	-164.1	-44.8	0	0	0	110.8	F126 R232 H242 L258 A262 R263 H269	F126-D260 WeakPolarHBondContact CE2-O 3.46Å; F126-D260 VanDerWaalsContact CZ-O 3.25Å; F126-D260 WeakPolarHBondContact CZ-O 3.36Å; R232-D260 IonicContact CZ-OD1 3.01Å; R232-D260 IonicContact CZ-OD2 2.69Å; R232-D260 IonicContact NH1-OD2 3.74Å; R232-D260 PolarHBondContact NH1-OD2 2.76Å; R232-D260 IonicContact NH2-OD1 3.86Å; R232-D260 PolarHBondContact NH2-OD1 3.06Å; R232-D260 IonicContact NH2-OD2 3.59Å; R232-D260 PolarHBondContact NH2-OD2 3.48Å; H242-D260 IonicContact CE1-OD1 3.38Å; H242-D260 IonicContact NE2-OD1 3.13Å; H242-D260 PolarHBondContact NE2-OD1 3.26Å; H242-D260 IonicContact NE2-OD2 3.67Å; L258-D260 PolarHBondContact O-N 3.39Å; D260-A262 VanDerWaalsContact C-N 3.26Å; D260-A262 PolarHBondContact O-N 3.33Å; D260-A262 WeakPolarHBondContact OD1-CA 3.04Å; D260-A262 VanDerWaalsContact OD1-CB 3.31Å; D260-A262 WeakPolarHBondContact OD1-CB 3.32Å; D260-A262 PolarHBondContact OD1-N 3.37Å; D260-R263 VanDerWaalsContact O-CG 3.31Å; D260-R263 WeakPolarHBondContact O-CG 3.18Å; D260-H269 IonicContact OD2-CE1 3.71Å
261	T	98.3	Very high	98.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-72.9	-18.6	-178.7	53.2	0	0	0	0	112.6	T128 Q129 A138 M142 F259 R263	T128-T261 WeakPolarHBondContact CA-O 3.35Å; Q129-T261 PolarHBondContact N-O 2.9Å; A138-T261 HydrophobicContact CB-CG2 3.86Å; M142-T261 HydrophobicContact SD-CG2 3.72Å; F259-T261 PolarHBondContact O-N 2.96Å; T261-R263 PolarHBondContact O-N 3.15Å
262	A	97.9	Very high	98.2	Very high	3 Å²	3	33.1 Å²	33.1	3%	0.025	16%	0.158	C	C	.	.			trans	-80.6	55.8	173.6	0	0	0	0	0	110.7	Q129 D260 F264 K265 Y266	Q129-A262 VanDerWaalsContact OE1-CA 3.27Å; D260-A262 VanDerWaalsContact C-N 3.26Å; D260-A262 PolarHBondContact O-N 3.33Å; D260-A262 WeakPolarHBondContact OD1-CA 3.04Å; D260-A262 VanDerWaalsContact OD1-CB 3.31Å; D260-A262 WeakPolarHBondContact OD1-CB 3.32Å; D260-A262 PolarHBondContact OD1-N 3.37Å; A262-F264 HydrophobicContact CB-CE1 4.26Å; A262-F264 HydrophobicContact CB-CE2 4.27Å; A262-F264 HydrophobicContact CB-CZ 3.92Å; A262-F264 PolarHBondContact O-N 3.05Å; A262-F264 VanDerWaalsContact O-N 3.08Å; A262-K265 HydrophobicContact CB-CB 4.28Å; A262-K265 WeakPolarHBondContact O-CA 3.39Å; A262-K265 WeakPolarHBondContact O-CB 3.35Å; A262-K265 PolarHBondContact O-N 3.07Å; A262-Y266 PolarHBondContact O-N 3.19Å
263	R	97	Very high	98.2	Very high	105 Å²	105	26.3 Å²	26.3	40%	0.396	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.5	-173.3	-65.3	170.9	58.6	-176.8	-0.5	114.2	F126 T128 D260 T261 K265 Y266	F126-R263 HydrophobicContact CE1-CG 4.14Å; F126-R263 HydrophobicContact CE2-CG 4.21Å; F126-R263 VanDerWaalsContact CZ-CD 3.41Å; F126-R263 HydrophobicContact CZ-CG 3.55Å; T128-R263 HydrophobicContact CG2-CB 4.14Å; T128-R263 VanDerWaalsContact OG1-CD 3.32Å; T128-R263 WeakPolarHBondContact OG1-CD 3.36Å; D260-R263 VanDerWaalsContact O-CG 3.31Å; D260-R263 WeakPolarHBondContact O-CG 3.18Å; T261-R263 PolarHBondContact O-N 3.15Å; R263-K265 PolarHBondContact O-N 2.89Å; R263-Y266 WeakPolarHBondContact CA-O 3.31Å
264	F	96.1	Very high	98.2	Very high	90 Å²	90	24.7 Å²	24.7	40%	0.395	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-18.5	170.6	56.3	-101.6	0	0	0	112.8	R88 T128 Q129 P132 A262	R88-F264 WeakPolarHBondContact CA-O 3.47Å; R88-F264 PolarHBondContact N-O 3.3Å; R88-F264 VanDerWaalsContact N-O 3.1Å; T128-F264 HydrophobicContact CG2-CD1 4.07Å; Q129-F264 HydrophobicContact CG-CE1 3.7Å; Q129-F264 HydrophobicContact CG-CZ 4.34Å; P132-F264 HydrophobicContact CB-CZ 4.39Å; A262-F264 HydrophobicContact CB-CE1 4.26Å; A262-F264 HydrophobicContact CB-CE2 4.27Å; A262-F264 HydrophobicContact CB-CZ 3.92Å; A262-F264 PolarHBondContact O-N 3.05Å; A262-F264 VanDerWaalsContact O-N 3.08Å
265	K	97.3	Very high	98.2	Very high	54 Å²	54	24.8 Å²	24.8	24%	0.235	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-55.7	178.9	-164.4	-175.3	-69.5	179	0	111.8	R88 R89 T238 A262 R263	R88-K265 CarbonylContact C-O 3.42Å; R88-K265 WeakPolarHBondContact CA-O 3.09Å; R89-K265 HydrophobicContact CB-CG 4.28Å; R89-K265 HydrophobicContact CG-CG 3.95Å; R89-K265 PolarHBondContact N-O 3.06Å; T238-K265 WeakPolarHBondContact O-CD 3.28Å; T238-K265 PolarHBondContact O-NZ 2.92Å; A262-K265 HydrophobicContact CB-CB 4.28Å; A262-K265 WeakPolarHBondContact O-CA 3.39Å; A262-K265 WeakPolarHBondContact O-CB 3.35Å; A262-K265 PolarHBondContact O-N 3.07Å; R263-K265 PolarHBondContact O-N 2.89Å
266	Y	97.8	Very high	98.2	Very high	3 Å²	3	24 Å²	24	1%	0.012	12%	0.118	C	C	.	.			trans	-136.3	145.8	-175.5	-64.1	-65.2	0	0	0	112.3	R89 P90 L91 Q237 T238 A262 R263	R89-Y266 HydrophobicContact CB-CD1 4.29Å; R89-Y266 HydrophobicContact CB-CE1 3.48Å; R89-Y266 VanDerWaalsContact CB-CE1 3.48Å; R89-Y266 WeakPolarHBondContact O-CD1 3.23Å; R89-Y266 WeakPolarHBondContact O-CE1 3.25Å; P90-Y266 WeakPolarHBondContact O-CE1 3.42Å; L91-Y266 HydrophobicContact CD2-CD1 3.5Å; L91-Y266 VanDerWaalsContact CD2-CD1 3.5Å; L91-Y266 HydrophobicContact CD2-CE1 4.06Å; L91-Y266 HydrophobicContact CD2-CG 3.95Å; L91-Y266 HydrophobicContact CG-CD1 3.8Å; L91-Y266 HydrophobicContact CG-CE1 4.41Å; Q237-Y266 HydrophobicContact CB-CE2 3.9Å; Q237-Y266 HydrophobicContact CG-CE2 4.35Å; T238-Y266 PolarHBondContact N-OH 3.07Å; A262-Y266 PolarHBondContact O-N 3.19Å; R263-Y266 WeakPolarHBondContact CA-O 3.31Å
267	P	97.6	Very high	98.2	Very high	45 Å²	45	25.8 Å²	25.8	29%	0.292	12%	0.124	S	C	.	.			trans	-76	166.9	170.5	34.3	-35.1	0	0	0	111.1	L91 P97 H269	L91-P267 HydrophobicContact CD1-CG 3.77Å; P97-P267 HydrophobicContact CB-CG 4.38Å; P267-H269 PolarHBondContact O-ND1 3.34Å
268	P	98.4	Very high	98.1	Very high	19 Å²	19	31.2 Å²	31.2	12%	0.123	15%	0.148	C	C	.	.			trans	-51.5	141.5	160.4	-24.8	34.5	0	0	0	111.1	F98 F126 F257 L258	F98-P268 HydrophobicContact CB-CB 4.13Å; F98-P268 WeakPolarHBondContact CB-O 3.37Å; F98-P268 PolarHBondContact N-O 3.18Å; F126-P268 HydrophobicContact CD1-CG 4.31Å; F126-P268 HydrophobicContact CE1-CG 3.3Å; F126-P268 HydrophobicContact CZ-CG 3.43Å; F126-P268 VanDerWaalsContact CZ-CG 3.43Å; F257-P268 HydrophobicContact CE2-CB 3.67Å; F257-P268 HydrophobicContact CZ-CB 3.64Å; L258-P268 WeakPolarHBondContact O-CA 3.4Å
269	H	98.7	Very high	98.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	160.3	-170.9	57.9	-83.6	0	0	0	112.2	L91 I96 L258 D260 P267 V271	L91-H269 HydrophobicContact CD1-CB 3.61Å; I96-H269 CarbonylContact O-C 3.24Å; I96-H269 VanDerWaalsContact O-CA 3.27Å; I96-H269 WeakPolarHBondContact O-CA 3.16Å; I96-H269 WeakPolarHBondContact O-CB 3.12Å; L258-H269 PolarHBondContact N-O 3.49Å; L258-H269 PolarHBondContact O-N 2.79Å; D260-H269 IonicContact OD2-CE1 3.71Å; P267-H269 PolarHBondContact O-ND1 3.34Å; H269-V271 WeakPolarHBondContact CD2-CG1 3.35Å
270	W	98.8	Very high	98.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	139.7	172.1	-60.8	94.8	0	0	0	110.2	C95 I96 F98 G103 I106 F107 A110 M116 H250 L255 V256 F257	C95-W270 CarbonylContact C-O 3.56Å; C95-W270 WeakPolarHBondContact CA-O 3.21Å; I96-W270 HydrophobicContact CB-CB 4.2Å; I96-W270 PolarHBondContact N-O 3.33Å; I96-W270 PolarHBondContact O-N 2.92Å; F98-W270 AromaticContact CD2-NE1 3.97Å; G103-W270 PolarHBondContact O-NE1 2.84Å; I106-W270 HydrophobicContact CB-CD2 4.47Å; I106-W270 HydrophobicContact CB-CZ2 4.31Å; I106-W270 HydrophobicContact CG2-CD2 3.56Å; I106-W270 VanDerWaalsContact CG2-CE2 3.46Å; I106-W270 HydrophobicContact CG2-CE3 3.76Å; I106-W270 HydrophobicContact CG2-CG 4.14Å; I106-W270 HydrophobicContact CG2-CH2 3.78Å; I106-W270 HydrophobicContact CG2-CZ2 3.62Å; I106-W270 HydrophobicContact CG2-CZ3 3.86Å; F107-W270 HydrophobicContact CB-CZ2 4.13Å; A110-W270 HydrophobicContact CB-CH2 3.81Å; M116-W270 HydrophobicContact CE-CH2 4.28Å; M116-W270 HydrophobicContact SD-CH2 3.51Å; M116-W270 VanDerWaalsContact SD-CH2 3.51Å; M116-W270 HydrophobicContact SD-CZ2 4.2Å; M116-W270 HydrophobicContact SD-CZ3 4.44Å; H250-W270 HydrophobicContact CB-CZ3 4.22Å; L255-W270 HydrophobicContact CB-CB 4.37Å; L255-W270 HydrophobicContact CB-CE3 3.83Å; L255-W270 HydrophobicContact CD1-CB 4.34Å; V256-W270 WeakPolarHBondContact O-CA 3.24Å; F257-W270 HydrophobicContact CB-CD2 4.04Å; F257-W270 HydrophobicContact CB-CE3 3.69Å; F257-W270 HydrophobicContact CB-CH2 3.83Å; F257-W270 HydrophobicContact CB-CZ2 4.12Å; F257-W270 HydrophobicContact CB-CZ3 3.6Å; F257-W270 HydrophobicContact CD2-CD2 4.22Å; F257-W270 HydrophobicContact CD2-CZ2 4.39Å; F257-W270 HydrophobicContact CG-CZ2 4.39Å
271	V	98.6	Very high	98	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	148.7	175.6	-60.7	0	0	0	0	110.5	L235 L255 V256 L258 H269 L273 L276	L235-V271 HydrophobicContact CD1-CG1 4.49Å; L255-V271 CarbonylContact C-O 3.19Å; L255-V271 VanDerWaalsContact CA-O 3.31Å; L255-V271 WeakPolarHBondContact CA-O 3.27Å; V256-V271 HydrophobicContact CB-CG2 4.2Å; V256-V271 PolarHBondContact N-O 3.38Å; V256-V271 PolarHBondContact O-N 2.98Å; L258-V271 HydrophobicContact CD1-CG1 4.19Å; L258-V271 HydrophobicContact CD1-CG2 3.79Å; L258-V271 HydrophobicContact CG-CG2 4.08Å; H269-V271 WeakPolarHBondContact CD2-CG1 3.35Å; V271-L273 PolarHBondContact O-N 2.96Å; V271-L276 HydrophobicContact CG2-CB 3.96Å; V271-L276 HydrophobicContact CG2-CD1 4.41Å; V271-L276 HydrophobicContact CG2-CD2 3.95Å; V271-L276 HydrophobicContact CG2-CG 4.33Å
272	S	98.6	Very high	98	Very high	29 Å²	29	35.7 Å²	35.7	20%	0.203	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	132.8	171.2	171.1	0	0	0	0	111.1	T274 K275 L276	S272-T274 VanDerWaalsContact C-N 3.3Å; S272-T274 PolarHBondContact O-N 3.21Å; S272-T274 PolarHBondContact OG-OG1 2.98Å; S272-K275 PolarHBondContact O-N 2.98Å; S272-L276 WeakPolarHBondContact O-CB 3.35Å; S272-L276 PolarHBondContact O-N 3.2Å
273	L	98.7	Very high	97.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-53	-46.8	177.1	-176.7	79.7	0	0	0	111.6	L207 F210 Q211 V214 Y249 E254 V256 V271 L276 W277	L207-L273 HydrophobicContact CD1-CD2 4.05Å; L207-L273 HydrophobicContact CD1-CG 4.04Å; F210-L273 HydrophobicContact CD1-CD1 3.75Å; F210-L273 HydrophobicContact CD1-CG 4.36Å; F210-L273 HydrophobicContact CE1-CD1 3.52Å; F210-L273 HydrophobicContact CE1-CG 4.35Å; F210-L273 HydrophobicContact CZ-CD1 4.4Å; Q211-L273 HydrophobicContact CB-CD2 3.82Å; Q211-L273 HydrophobicContact CG-CD2 3.73Å; V214-L273 HydrophobicContact CG2-CD1 4.26Å; Y249-L273 HydrophobicContact CE2-CD1 4.32Å; E254-L273 HydrophobicContact CB-CB 4.28Å; E254-L273 WeakPolarHBondContact O-CB 3.46Å; E254-L273 PolarHBondContact O-N 3.26Å; V256-L273 HydrophobicContact CG2-CB 4.28Å; V256-L273 HydrophobicContact CG2-CD1 3.56Å; V271-L273 PolarHBondContact O-N 2.96Å; L273-L276 PolarHBondContact O-N 2.87Å; L273-W277 WeakPolarHBondContact O-CB 3.46Å; L273-W277 PolarHBondContact O-N 3.35Å
274	T	98	Very high	97.9	Very high	63 Å²	63	34.6 Å²	34.6	39%	0.387	18%	0.178	S	C	.	.	H	α-helix	trans	-65	-40.6	-179.7	55.9	0	0	0	0	112.2	L207 S272 W277 F278	L207-T274 HydrophobicContact CD2-CG2 3.76Å; S272-T274 VanDerWaalsContact C-N 3.3Å; S272-T274 PolarHBondContact O-N 3.21Å; S272-T274 PolarHBondContact OG-OG1 2.98Å; T274-W277 WeakPolarHBondContact O-CB 3.13Å; T274-W277 PolarHBondContact O-N 3.27Å; T274-F278 PolarHBondContact O-N 3.41Å
275	K	98.3	Very high	97.9	Very high	85 Å²	85	34.4 Å²	34.4	37%	0.37	19%	0.186	S	C	.	.	H	α-helix	trans	-68.7	-39.7	175.8	-67.3	-165.4	177.6	-150.8	0	111.9	H94 L235 S272 F278 S279	H94-K275 HydrophobicContact CB-CD 4.38Å; H94-K275 PolarHBondContact ND1-NZ 3Å; H94-K275 VanDerWaalsContact ND1-NZ 3.19Å; L235-K275 HydrophobicContact CD2-CB 3.88Å; L235-K275 WeakPolarHBondContact CD2-O 3.46Å; S272-K275 PolarHBondContact O-N 2.98Å; K275-F278 PolarHBondContact O-N 2.92Å; K275-S279 WeakPolarHBondContact O-CB 3.02Å; K275-S279 PolarHBondContact O-N 3.46Å; K275-S279 PolarHBondContact O-OG 3.14Å
276	L	98.6	Very high	97.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-47.4	174.9	-178.3	58.4	0	0	0	110.4	F210 V228 Y230 L235 V256 L258 V271 S272 L273 F278 S279 M280	F210-L276 HydrophobicContact CE1-CD2 4.4Å; F210-L276 HydrophobicContact CZ-CD2 4.12Å; V228-L276 HydrophobicContact CG1-CD2 4.36Å; V228-L276 HydrophobicContact CG2-CD1 4.36Å; Y230-L276 HydrophobicContact CD1-CD1 3.98Å; Y230-L276 HydrophobicContact CG-CD1 4.02Å; L235-L276 HydrophobicContact CD1-CD1 4.36Å; V256-L276 HydrophobicContact CB-CD2 3.98Å; V256-L276 HydrophobicContact CG1-CD2 3.95Å; V256-L276 HydrophobicContact CG2-CD2 4.14Å; L258-L276 HydrophobicContact CD1-CD1 4.2Å; L258-L276 HydrophobicContact CD2-CD2 4.23Å; V271-L276 HydrophobicContact CG2-CB 3.96Å; V271-L276 HydrophobicContact CG2-CD1 4.41Å; V271-L276 HydrophobicContact CG2-CD2 3.95Å; V271-L276 HydrophobicContact CG2-CG 4.33Å; S272-L276 WeakPolarHBondContact O-CB 3.35Å; S272-L276 PolarHBondContact O-N 3.2Å; L273-L276 PolarHBondContact O-N 2.87Å; L276-F278 PolarHBondContact O-N 3.47Å; L276-S279 WeakPolarHBondContact CA-OG 3.44Å; L276-S279 PolarHBondContact O-N 2.86Å; L276-S279 VanDerWaalsContact O-N 3.08Å; L276-S279 PolarHBondContact O-OG 2.87Å; L276-M280 HydrophobicContact CG-CE 4.4Å; L276-M280 WeakPolarHBondContact O-CG 2.82Å; L276-M280 PolarHBondContact O-N 3.2Å
277	W	98.4	Very high	97.5	Very high	37 Å²	37	38.4 Å²	38.4	14%	0.14	21%	0.212	C	C	.	.	H	α-helix	trans	-53.5	-51.9	173.5	177	-101.7	0	0	0	112.7	V201 T205 S206 L207 F210 L273 T274 S279 M280 S281 F293	V201-W277 HydrophobicContact CB-CH2 4.35Å; V201-W277 HydrophobicContact CB-CZ3 4.29Å; V201-W277 HydrophobicContact CG1-CD2 3.74Å; V201-W277 HydrophobicContact CG1-CE3 3.92Å; V201-W277 HydrophobicContact CG1-CG 4.45Å; V201-W277 HydrophobicContact CG1-CH2 3.75Å; V201-W277 HydrophobicContact CG1-CZ2 3.55Å; V201-W277 HydrophobicContact CG1-CZ3 3.91Å; V201-W277 HydrophobicContact CG2-CD2 4.38Å; V201-W277 HydrophobicContact CG2-CE3 3.72Å; V201-W277 HydrophobicContact CG2-CH2 3.96Å; V201-W277 HydrophobicContact CG2-CZ3 3.46Å; V201-W277 VanDerWaalsContact CG2-CZ3 3.46Å; T205-W277 WeakPolarHBondContact O-CZ2 3.41Å; T205-W277 VanDerWaalsContact OG1-CH2 3.24Å; T205-W277 WeakPolarHBondContact OG1-CH2 3.43Å; T205-W277 WeakPolarHBondContact OG1-CZ2 3.09Å; S206-W277 VanDerWaalsContact C-CH2 3.44Å; S206-W277 VanDerWaalsContact O-CH2 3.28Å; S206-W277 WeakPolarHBondContact O-CH2 3.43Å; L207-W277 HydrophobicContact CB-CD2 4.25Å; L207-W277 HydrophobicContact CB-CG 4.35Å; L207-W277 HydrophobicContact CD1-CB 3.64Å; L207-W277 HydrophobicContact CD1-CD2 4.03Å; L207-W277 HydrophobicContact CD1-CE3 4.44Å; L207-W277 HydrophobicContact CD1-CG 3.69Å; F210-W277 HydrophobicContact CB-CE3 3.61Å; F210-W277 HydrophobicContact CB-CH2 4.43Å; F210-W277 HydrophobicContact CB-CZ3 3.43Å; F210-W277 VanDerWaalsContact CB-CZ3 3.43Å; F210-W277 AromaticContact CD1-CE3 3.71Å; F210-W277 HydrophobicContact CD1-CE3 3.71Å; F210-W277 HydrophobicContact CD1-CZ3 4.38Å; F210-W277 AromaticContact CG-CE3 3.77Å; F210-W277 HydrophobicContact CG-CE3 3.77Å; F210-W277 AromaticContact CG-CZ3 3.98Å; F210-W277 HydrophobicContact CG-CZ3 3.98Å; L273-W277 WeakPolarHBondContact O-CB 3.46Å; L273-W277 PolarHBondContact O-N 3.35Å; T274-W277 WeakPolarHBondContact O-CB 3.13Å; T274-W277 PolarHBondContact O-N 3.27Å; W277-S279 VanDerWaalsContact C-N 3.26Å; W277-S279 PolarHBondContact O-N 2.95Å; W277-M280 HydrophobicContact CE3-CE 4.08Å; W277-M280 WeakPolarHBondContact O-CB 3.31Å; W277-M280 PolarHBondContact O-N 3.09Å; W277-M280 VanDerWaalsContact O-N 3.09Å; W277-S281 PolarHBondContact O-N 3.22Å; W277-F293 HydrophobicContact CZ3-CE1 4.26Å
278	F	97.7	Very high	97.5	Very high	115 Å²	115	42.7 Å²	42.7	50%	0.504	23%	0.228	S	C	.	.	H	α-helix	trans	-59.6	-36.5	176.1	176.6	-100.1	0	0	0	112.7	A234 T274 K275 L276 M280 S281 Q282	A234-F278 HydrophobicContact CB-CD1 4.3Å; A234-F278 HydrophobicContact CB-CE1 4.15Å; T274-F278 PolarHBondContact O-N 3.41Å; K275-F278 PolarHBondContact O-N 2.92Å; L276-F278 PolarHBondContact O-N 3.47Å; F278-M280 VanDerWaalsContact C-N 3.32Å; F278-M280 PolarHBondContact O-N 2.92Å; F278-S281 PolarHBondContact O-N 3.49Å; F278-S281 PolarHBondContact O-OG 3.06Å; F278-Q282 PolarHBondContact O-NE2 3.22Å
279	S	98.2	Very high	97.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-72.1	-25.6	177.5	72	0	0	0	0	113.8	Y230 S231 K275 L276 W277	Y230-S279 WeakPolarHBondContact CB-OG 3.23Å; S231-S279 WeakPolarHBondContact CB-O 3.41Å; S231-S279 PolarHBondContact N-O 3.12Å; K275-S279 WeakPolarHBondContact O-CB 3.02Å; K275-S279 PolarHBondContact O-N 3.46Å; K275-S279 PolarHBondContact O-OG 3.14Å; L276-S279 WeakPolarHBondContact CA-OG 3.44Å; L276-S279 PolarHBondContact O-N 2.86Å; L276-S279 VanDerWaalsContact O-N 3.08Å; L276-S279 PolarHBondContact O-OG 2.87Å; W277-S279 VanDerWaalsContact C-N 3.26Å; W277-S279 PolarHBondContact O-N 2.95Å
280	M	98.5	Very high	97.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-78.8	-26.9	172.6	-68.5	-168.2	-66	0	0	112.3	V201 F210 V228 C229 L276 W277 F278 Q282 R291 G292 F293	V201-M280 HydrophobicContact CB-CB 4.06Å; V201-M280 HydrophobicContact CG2-CB 3.69Å; V201-M280 HydrophobicContact CG2-CE 4.04Å; V201-M280 HydrophobicContact CG2-SD 4.47Å; F210-M280 HydrophobicContact CD1-CE 3.96Å; F210-M280 HydrophobicContact CD2-CE 4.11Å; F210-M280 HydrophobicContact CE1-CE 3.5Å; F210-M280 HydrophobicContact CE2-CE 3.68Å; F210-M280 HydrophobicContact CG-CE 4.24Å; F210-M280 HydrophobicContact CZ-CE 3.36Å; F210-M280 HydrophobicContact CZ-SD 4.44Å; V228-M280 HydrophobicContact CB-SD 3.92Å; V228-M280 HydrophobicContact CG1-SD 3.82Å; C229-M280 WeakPolarHBondContact O-CG 3.36Å; L276-M280 HydrophobicContact CG-CE 4.4Å; L276-M280 WeakPolarHBondContact O-CG 2.82Å; L276-M280 PolarHBondContact O-N 3.2Å; W277-M280 HydrophobicContact CE3-CE 4.08Å; W277-M280 WeakPolarHBondContact O-CB 3.31Å; W277-M280 PolarHBondContact O-N 3.09Å; W277-M280 VanDerWaalsContact O-N 3.09Å; F278-M280 VanDerWaalsContact C-N 3.32Å; F278-M280 PolarHBondContact O-N 2.92Å; M280-Q282 PolarHBondContact O-N 3.35Å; M280-R291 CarbonylContact O-C 3.45Å; M280-R291 WeakPolarHBondContact O-CA 3.44Å; M280-R291 WeakPolarHBondContact O-CB 3.38Å; M280-R291 PolarHBondContact O-N 3.33Å; M280-R291 VanDerWaalsContact O-N 3.12Å; M280-G292 VanDerWaalsContact SD-O 3.37Å; M280-F293 HydrophobicContact CE-CD1 4.08Å; M280-F293 HydrophobicContact SD-CB 4.1Å; M280-F293 HydrophobicContact SD-CD1 4.18Å
281	S	97.5	Very high	97.3	Very high	40 Å²	40	47.2 Å²	47.2	28%	0.28	25%	0.251	S	S	.	.	S	Bend	trans	-71.9	-12.4	176.9	77.4	0	0	0	0	113.9	V201 W277 F278	V201-S281 WeakPolarHBondContact O-CA 3.17Å; W277-S281 PolarHBondContact O-N 3.22Å; F278-S281 PolarHBondContact O-N 3.49Å; F278-S281 PolarHBondContact O-OG 3.06Å
282	Q	97.4	Very high	97.3	Very high	60 Å²	60	47.1 Å²	47.1	28%	0.28	25%	0.25	S	S	.	.	S	Bend	trans	-67.6	139.3	177.9	-55.4	-52.9	-64.7	0	0	111	A234 F278 M280 R291	A234-Q282 HydrophobicContact CB-CG 3.63Å; F278-Q282 PolarHBondContact O-NE2 3.22Å; M280-Q282 PolarHBondContact O-N 3.35Å; Q282-R291 PolarHBondContact O-N 3.42Å; Q282-R291 VanDerWaalsContact O-N 3.14Å
283	V	96.7	Very high	97.3	Very high	78 Å²	78	46 Å²	46	47%	0.473	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-70.2	135.3	178.3	176.8	0	0	0	0	110.5
284	D	96.4	Very high	97.3	Very high	8 Å²	8	46 Å²	46	4%	0.043	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-79.1	118.8	168.5	-163.2	-12.2	0	0	0	109.5	D286 T287 Q288 L289 R291	D284-D286 PolarHBondContact O-N 3.14Å; D284-T287 PolarHBondContact O-N 3.32Å; D284-Q288 WeakPolarHBondContact O-CA 3.25Å; D284-Q288 PolarHBondContact O-N 3.26Å; D284-L289 PolarHBondContact N-O 3.03Å; D284-R291 HydrophobicContact CB-CG 4.29Å; D284-R291 IonicContact OD1-CZ 3.53Å; D284-R291 IonicContact OD1-NH1 3.91Å; D284-R291 IonicContact OD1-NH2 2.93Å; D284-R291 PolarHBondContact OD1-NH2 2.98Å; D284-R291 IonicContact OD2-CZ 2.83Å; D284-R291 IonicContact OD2-NH1 2.84Å; D284-R291 PolarHBondContact OD2-NH1 3.03Å; D284-R291 IonicContact OD2-NH2 3.33Å; D284-R291 PolarHBondContact OD2-NH2 2.92Å
285	P	94.8	Very high	97.3	Very high	86 Å²	86	43.1 Å²	43.1	56%	0.558	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.6	-176.6	23.8	-35.6	0	0	0	114	Q288	P285-Q288 PolarHBondContact O-NE2 2.98Å
286	D	93.3	Very high	97.2	Very high	102 Å²	102	39.1 Å²	39.1	55%	0.545	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-31.9	-178.8	-68.9	-34	0	0	0	112.7	T181 D284	T181-D286 HydrophobicContact CG2-CB 4.27Å; D284-D286 PolarHBondContact O-N 3.14Å
287	T	95.1	Very high	96.8	Very high	39 Å²	39	41.9 Å²	41.9	24%	0.239	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-14.9	-177.3	64.2	0	0	0	0	113.7	T181 D284 L289	T181-T287 HydrophobicContact CG2-CG2 3.58Å; D284-T287 PolarHBondContact O-N 3.32Å; T287-L289 PolarHBondContact O-N 2.68Å; T287-L289 VanDerWaalsContact O-N 3.16Å; T287-L289 PolarHBondContact OG1-N 3.31Å
288	Q	96.9	Very high	96.2	Very high	135 Å²	135	43.5 Å²	43.5	63%	0.631	23%	0.225	S	C	*	.	S	Bend	trans	57.3	19.8	-169.7	-57.5	-63	-48.9	0	0	113.6	D284 P285	D284-Q288 WeakPolarHBondContact O-CA 3.25Å; D284-Q288 PolarHBondContact O-N 3.26Å; P285-Q288 PolarHBondContact O-NE2 2.98Å
289	L	96.6	Very high	95.3	Very high	73 Å²	73	39.3 Å²	39.3	38%	0.382	21%	0.212	S	C	.	.	S	Bend	trans	-108.3	148.2	175.2	-63.8	175.9	0	0	0	110.4	D284 T287	D284-L289 PolarHBondContact N-O 3.03Å; T287-L289 PolarHBondContact O-N 2.68Å; T287-L289 VanDerWaalsContact O-N 3.16Å; T287-L289 PolarHBondContact OG1-N 3.31Å
290	P	96.8	Very high	93.6	Very high	27 Å²	27	43.3 Å²	43.3	18%	0.175	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-60.6	149.8	170.9	25	-32.3	0	0	0	110.4	R200 V201	R200-P290 HydrophobicContact CB-CG 4.22Å; R200-P290 PolarHBondContact NH1-O 2.97Å; V201-P290 WeakPolarHBondContact O-CB 3.3Å
291	R	97.9	Very high	91.4	Very high	13 Å²	13	45.3 Å²	45.3	5%	0.049	26%	0.255	C	S	.	.			trans	-72.5	-154.2	171.7	-54.3	179.2	178.3	-68.1	-12.8	110.3	R200 V201 C229 Y230 G241 M280 Q282 D284	R200-R291 WeakPolarHBondContact CA-O 3.24Å; V201-R291 PolarHBondContact N-O 3.03Å; C229-R291 HydrophobicContact CB-CB 4.36Å; C229-R291 WeakPolarHBondContact O-CB 3.47Å; C229-R291 PolarHBondContact SG-NH1 3.45Å; C229-R291 VanDerWaalsContact SG-NH1 3.4Å; Y230-R291 VanDerWaalsContact C-CD 3.46Å; G241-R291 VanDerWaalsContact CA-CZ 3.49Å; M280-R291 CarbonylContact O-C 3.45Å; M280-R291 WeakPolarHBondContact O-CA 3.44Å; M280-R291 WeakPolarHBondContact O-CB 3.38Å; M280-R291 PolarHBondContact O-N 3.33Å; M280-R291 VanDerWaalsContact O-N 3.12Å; Q282-R291 PolarHBondContact O-N 3.42Å; Q282-R291 VanDerWaalsContact O-N 3.14Å; D284-R291 HydrophobicContact CB-CG 4.29Å; D284-R291 IonicContact OD1-CZ 3.53Å; D284-R291 IonicContact OD1-NH1 3.91Å; D284-R291 IonicContact OD1-NH2 2.93Å; D284-R291 PolarHBondContact OD1-NH2 2.98Å; D284-R291 IonicContact OD2-CZ 2.83Å; D284-R291 IonicContact OD2-NH1 2.84Å; D284-R291 PolarHBondContact OD2-NH1 3.03Å; D284-R291 IonicContact OD2-NH2 3.33Å; D284-R291 PolarHBondContact OD2-NH2 2.92Å
292	G	98.5	Very high	88.5	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.1	-150	-175.4	0	0	0	0	0	113.8	H199 C229 M280	H199-G292 CarbonylContact O-C 3.46Å; H199-G292 VanDerWaalsContact O-CA 3.27Å; H199-G292 WeakPolarHBondContact O-CA 3.35Å; C229-G292 WeakPolarHBondContact CA-O 3.37Å; C229-G292 PolarHBondContact N-O 3.27Å; C229-G292 PolarHBondContact O-N 3.48Å; M280-G292 VanDerWaalsContact SD-O 3.37Å
293	F	98.8	Very high	85.7	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	160.4	-177	62	-88.3	0	0	0	111.2	H199 V201 Y209 F210 V213 L226 V227 V228 W277 M280	H199-F293 HydrophobicContact CB-CD1 3.98Å; H199-F293 HydrophobicContact CB-CD2 3.84Å; H199-F293 HydrophobicContact CB-CE1 3.54Å; H199-F293 HydrophobicContact CB-CE2 3.4Å; H199-F293 HydrophobicContact CB-CG 4.12Å; H199-F293 HydrophobicContact CB-CZ 3.24Å; H199-F293 AromaticContact CD2-CE2 3.51Å; H199-F293 AromaticContact CG-CE2 3.43Å; H199-F293 VanDerWaalsContact CG-CE2 3.43Å; H199-F293 AromaticContact CG-CZ 3.51Å; H199-F293 PolarHBondContact N-O 3.26Å; H199-F293 PolarHBondContact O-N 3.02Å; V201-F293 HydrophobicContact CG2-CD1 4.35Å; V201-F293 HydrophobicContact CG2-CE1 4.42Å; Y209-F293 HydrophobicContact CE1-CZ 4.36Å; F210-F293 HydrophobicContact CB-CE1 4.19Å; F210-F293 HydrophobicContact CB-CZ 4.45Å; F210-F293 AromaticContact CD2-CD1 3.57Å; F210-F293 HydrophobicContact CD2-CD1 3.57Å; F210-F293 HydrophobicContact CD2-CD2 4.38Å; F210-F293 AromaticContact CD2-CE1 3.46Å; F210-F293 HydrophobicContact CD2-CE1 3.46Å; F210-F293 VanDerWaalsContact CD2-CE1 3.46Å; F210-F293 HydrophobicContact CD2-CE2 4.27Å; F210-F293 HydrophobicContact CD2-CG 4.05Å; F210-F293 AromaticContact CD2-CZ 3.82Å; F210-F293 HydrophobicContact CD2-CZ 3.82Å; F210-F293 HydrophobicContact CE2-CB 4.41Å; F210-F293 AromaticContact CE2-CD1 3.83Å; F210-F293 HydrophobicContact CE2-CD1 3.83Å; F210-F293 HydrophobicContact CE2-CE1 4.2Å; F210-F293 HydrophobicContact CE2-CG 4.01Å; F210-F293 HydrophobicContact CG-CD1 4.47Å; F210-F293 HydrophobicContact CG-CE1 4.12Å; V213-F293 HydrophobicContact CB-CE2 4.34Å; V213-F293 HydrophobicContact CG1-CD2 4.37Å; V213-F293 HydrophobicContact CG1-CE2 3.9Å; V213-F293 HydrophobicContact CG2-CE2 4.29Å; L226-F293 HydrophobicContact CD1-CB 3.89Å; L226-F293 HydrophobicContact CD1-CD2 3.66Å; L226-F293 HydrophobicContact CD1-CG 4.14Å; V227-F293 CarbonylContact O-C 3.5Å; V227-F293 VanDerWaalsContact O-CA 3.3Å; V227-F293 WeakPolarHBondContact O-CA 3.32Å; V228-F293 HydrophobicContact CG1-CB 3.97Å; W277-F293 HydrophobicContact CZ3-CE1 4.26Å; M280-F293 HydrophobicContact CE-CD1 4.08Å; M280-F293 HydrophobicContact SD-CB 4.1Å; M280-F293 HydrophobicContact SD-CD1 4.18Å
294	V	98.5	Very high	82.7	Confident	1 Å²	1	45 Å²	45	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.3	177	-67.6	0	0	0	0	109.7	L182 F185 V186 V196 D197 L198 L226 V227 L296	L182-V294 HydrophobicContact CD1-CG1 3.98Å; F185-V294 HydrophobicContact CD1-CG2 4.11Å; F185-V294 HydrophobicContact CE1-CG2 3.66Å; F185-V294 HydrophobicContact CZ-CG2 4.41Å; V186-V294 HydrophobicContact CG2-CG1 4.01Å; V196-V294 HydrophobicContact CG1-CB 4.03Å; V196-V294 HydrophobicContact CG1-CG1 3.96Å; D197-V294 VanDerWaalsContact O-CA 3.31Å; D197-V294 WeakPolarHBondContact O-CA 3.29Å; L198-V294 HydrophobicContact CB-CG1 4.31Å; L198-V294 HydrophobicContact CD1-CG1 3.66Å; L226-V294 WeakPolarHBondContact CD1-O 3.5Å; V227-V294 HydrophobicContact CB-CG2 3.83Å; V227-V294 HydrophobicContact CG1-CG2 4.49Å; V227-V294 PolarHBondContact N-O 3.04Å; V227-V294 PolarHBondContact O-N 3.31Å; V294-L296 HydrophobicContact CG2-CD1 4.02Å; V294-L296 HydrophobicContact CG2-CD2 4.38Å; V294-L296 HydrophobicContact CG2-CG 4.05Å
295	V	97.9	Very high	79.8	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.3	167.2	-173.1	0	0	0	0	108.3	D197 V213 M217 L226 R297	D197-V295 HydrophobicContact CB-CB 4.23Å; D197-V295 PolarHBondContact N-O 3.38Å; D197-V295 PolarHBondContact O-N 3.36Å; V213-V295 HydrophobicContact CG1-CG2 3.78Å; M217-V295 HydrophobicContact CE-CG1 3.69Å; M217-V295 HydrophobicContact CG-CG1 4.2Å; M217-V295 HydrophobicContact CG-CG2 4.34Å; M217-V295 HydrophobicContact SD-CG1 3.55Å; M217-V295 VanDerWaalsContact SD-CG1 3.55Å; L226-V295 HydrophobicContact CD1-CG2 4.18Å; V295-R297 VanDerWaalsContact CG1-CZ 3.5Å
296	L	95.8	Very high	77	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.8	-170.6	-65.8	161.4	0	0	0	110.2	I143 F185 A189 L194 D195 V196 G224 Y225 V227 V294	I143-L296 HydrophobicContact CB-CD1 4.29Å; I143-L296 HydrophobicContact CG1-CD1 3.83Å; I143-L296 HydrophobicContact CG2-CB 3.93Å; I143-L296 HydrophobicContact CG2-CD1 3.96Å; F185-L296 HydrophobicContact CE1-CD1 3.82Å; F185-L296 HydrophobicContact CE1-CD2 4.16Å; F185-L296 HydrophobicContact CZ-CD1 3.92Å; A189-L296 HydrophobicContact CB-CD2 3.97Å; L194-L296 HydrophobicContact CB-CD2 4.49Å; L194-L296 HydrophobicContact CD1-CB 4.44Å; L194-L296 HydrophobicContact CD1-CD2 4.1Å; D195-L296 WeakPolarHBondContact O-CA 3.25Å; V196-L296 HydrophobicContact CB-CD2 4.2Å; V196-L296 HydrophobicContact CG1-CD2 3.82Å; V196-L296 HydrophobicContact CG2-CD2 3.72Å; G224-L296 CarbonylContact C-O 3.54Å; G224-L296 WeakPolarHBondContact CA-O 3.46Å; Y225-L296 PolarHBondContact N-O 3.46Å; Y225-L296 PolarHBondContact O-N 3.3Å; V227-L296 HydrophobicContact CB-CD1 4.27Å; V227-L296 HydrophobicContact CG2-CD1 3.74Å; V294-L296 HydrophobicContact CG2-CD1 4.02Å; V294-L296 HydrophobicContact CG2-CD2 4.38Å; V294-L296 HydrophobicContact CG2-CG 4.05Å
297	R	91.7	Very high	74.3	Confident	58 Å²	58	55.3 Å²	55.3	22%	0.219	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	161.6	177.3	-57.5	-173.8	179.1	87.3	2.8	109.4	L194 D195 E223 V295 A299	L194-R297 CarbonylContact C-O 3.57Å; L194-R297 VanDerWaalsContact CA-O 3.24Å; L194-R297 WeakPolarHBondContact CA-O 3.49Å; L194-R297 WeakPolarHBondContact CB-O 3.46Å; L194-R297 WeakPolarHBondContact CD2-O 3.34Å; D195-R297 PolarHBondContact N-O 2.91Å; D195-R297 PolarHBondContact O-N 2.96Å; D195-R297 VanDerWaalsContact O-N 3.09Å; E223-R297 WeakPolarHBondContact O-CD 3.24Å; E223-R297 WeakPolarHBondContact O-CG 3.48Å; E223-R297 PolarHBondContact O-NE 3.43Å; V295-R297 VanDerWaalsContact CG1-CZ 3.5Å; R297-A299 PolarHBondContact O-N 3.23Å
298	K	85.6	Confident	71.4	Confident	71 Å²	71	56.4 Å²	56.4	31%	0.309	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	127.5	158.7	-65.6	-168.7	179.3	-171	0	106.3	L147 L149 A300 D344	L147-K298 HydrophobicContact CB-CG 4.5Å; L147-K298 HydrophobicContact CD1-CG 4.48Å; L147-K298 HydrophobicContact CD2-CG 4.45Å; L147-K298 WeakPolarHBondContact O-CE 3.1Å; L147-K298 PolarHBondContact O-NZ 3.36Å; L149-K298 HydrophobicContact CD2-CD 3.91Å; L149-K298 HydrophobicContact CD2-CG 4.1Å; L149-K298 HydrophobicContact CG-CG 4.41Å; K298-A300 PolarHBondContact O-N 3.25Å; K298-A300 VanDerWaalsContact O-N 3.12Å; K298-D344 IonicContact NZ-OD1 3.75Å; K298-D344 PolarHBondContact NZ-OD1 3.35Å
299	A	78.6	Confident	68.7	Low	27 Å²	27	53.9 Å²	53.9	22%	0.223	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-52.7	122.9	173.3	0	0	0	0	0	109.4	G193 D195 R297 I301 Y347	G193-A299 PolarHBondContact O-N 3.12Å; G193-A299 VanDerWaalsContact O-N 3.14Å; D195-A299 HydrophobicContact CB-CB 4.2Å; R297-A299 PolarHBondContact O-N 3.23Å; A299-I301 PolarHBondContact O-N 3.31Å; A299-Y347 VanDerWaalsContact C-OH 3.28Å; A299-Y347 WeakPolarHBondContact CA-OH 3.47Å; A299-Y347 VanDerWaalsContact CB-OH 3.28Å; A299-Y347 WeakPolarHBondContact CB-OH 3.48Å; A299-Y347 PolarHBondContact N-OH 3.47Å; A299-Y347 WeakPolarHBondContact O-CE2 3.34Å; A299-Y347 VanDerWaalsContact O-CZ 3.27Å; A299-Y347 PolarHBondContact O-OH 3.19Å
300	A	63	Low	65.9	Low	85 Å²	85	56.5 Å²	56.5	70%	0.702	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-56.3	133.7	-176.6	0	0	0	0	0	109.5	K298 P302	K298-A300 PolarHBondContact O-N 3.25Å; K298-A300 VanDerWaalsContact O-N 3.12Å; A300-P302 WeakPolarHBondContact O-CD 3.05Å
301	I	52.1	Low	63.1	Low	41 Å²	41	57.8 Å²	57.8	21%	0.21	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-62	123.9	152.3	-52.8	174.7	0	0	0	103.2	A299 V303 I342 Y347 T571 L575	A299-I301 PolarHBondContact O-N 3.31Å; I301-V303 HydrophobicContact CB-CG2 4.43Å; I301-V303 HydrophobicContact CG2-CG2 4.09Å; I301-V303 PolarHBondContact O-N 2.94Å; I301-I342 HydrophobicContact CD1-CB 4.47Å; I301-I342 HydrophobicContact CD1-CG1 4.25Å; I301-Y347 HydrophobicContact CD1-CD2 4.35Å; I301-Y347 HydrophobicContact CG1-CD2 3.98Å; I301-Y347 HydrophobicContact CG1-CE2 4.14Å; I301-T571 HydrophobicContact CD1-CG2 3.61Å; I301-T571 HydrophobicContact CG2-CG2 3.85Å; I301-L575 HydrophobicContact CG2-CB 4.23Å
302	P	36.1	Very low	60.1	Low	56 Å²	56	60.3 Å²	60.3	36%	0.364	34%	0.335	S	S	.	.	S	Bend	trans	-63.8	86.1	176.6	-7.7	17.2	0	0	0	108.6	A300 S574 T578	A300-P302 WeakPolarHBondContact O-CD 3.05Å; P302-S574 WeakPolarHBondContact CB-OG 3.42Å; P302-S574 VanDerWaalsContact CD-OG 3.27Å; P302-S574 WeakPolarHBondContact CD-OG 3.46Å; P302-S574 WeakPolarHBondContact CG-OG 3.37Å; P302-S574 WeakPolarHBondContact O-CB 3.26Å; P302-S574 PolarHBondContact O-OG 3.35Å; P302-T578 WeakPolarHBondContact CD-OG1 3.15Å; P302-T578 HydrophobicContact CG-CG2 3.51Å
303	V	37.8	Very low	57.4	Low	69 Å²	69	67.2 Å²	67.2	42%	0.418	37%	0.365	S	S	.	.			trans	-111.5	70.8	158.4	-169	0	0	0	0	102.4	I301 T305 L308	I301-V303 HydrophobicContact CB-CG2 4.43Å; I301-V303 HydrophobicContact CG2-CG2 4.09Å; I301-V303 PolarHBondContact O-N 2.94Å; V303-T305 PolarHBondContact O-N 2.69Å; V303-T305 VanDerWaalsContact O-N 3.11Å; V303-L308 HydrophobicContact CG1-CD1 3.77Å; V303-L308 HydrophobicContact CG1-CG 4.48Å
304	S	35	Very low	54.7	Low	48 Å²	48	72.5 Å²	72.5	34%	0.336	39%	0.39	S	S	.	.			trans	-64.4	122.9	-175.9	68.3	0	0	0	0	107.7	E306 Q307 L308	S304-E306 PolarHBondContact O-N 2.97Å; S304-E306 VanDerWaalsContact O-N 3.07Å; S304-Q307 WeakPolarHBondContact O-CA 3.42Å; S304-Q307 PolarHBondContact O-N 3.08Å; S304-Q307 VanDerWaalsContact OG-CB 3.28Å; S304-Q307 WeakPolarHBondContact OG-CB 3.46Å; S304-Q307 VanDerWaalsContact OG-CG 3.24Å; S304-Q307 WeakPolarHBondContact OG-CG 3.33Å; S304-Q307 PolarHBondContact OG-N 3.09Å; S304-L308 PolarHBondContact O-N 3.39Å; S304-L308 VanDerWaalsContact O-N 3.16Å
305	T	35.3	Very low	51.8	Low	110 Å²	110	77.1 Å²	77.1	68%	0.675	41%	0.414	S	S	*	.	H	α-helix	trans	-53.1	-30.1	176.3	-40.4	0	0	0	0	110.6	V303 L308 V309	V303-T305 PolarHBondContact O-N 2.69Å; V303-T305 VanDerWaalsContact O-N 3.11Å; T305-L308 PolarHBondContact O-N 3.42Å; T305-V309 WeakPolarHBondContact O-CB 3.49Å; T305-V309 WeakPolarHBondContact O-CG2 3.01Å; T305-V309 PolarHBondContact O-N 3.49Å
306	E	36.5	Very low	48.8	Very low	159 Å²	159	84.4 Å²	84.4	74%	0.743	44%	0.441	S	S	*	.	H	α-helix	trans	-67.6	-35.1	171.6	-78.6	179.7	145.2	0	0	114.4	S304 V309 K310	S304-E306 PolarHBondContact O-N 2.97Å; S304-E306 VanDerWaalsContact O-N 3.07Å; E306-V309 PolarHBondContact O-N 3.27Å; E306-K310 WeakPolarHBondContact O-CB 3.31Å; E306-K310 PolarHBondContact O-N 2.97Å
307	Q	36.6	Very low	46.2	Very low	143 Å²	143	90.6 Å²	90.6	67%	0.668	47%	0.473	S	S	*	.	H	α-helix	trans	-74.3	-32.6	174.5	-79.6	-165.9	4.7	0	0	112.6	S304 A311	S304-Q307 WeakPolarHBondContact O-CA 3.42Å; S304-Q307 PolarHBondContact O-N 3.08Å; S304-Q307 VanDerWaalsContact OG-CB 3.28Å; S304-Q307 WeakPolarHBondContact OG-CB 3.46Å; S304-Q307 VanDerWaalsContact OG-CG 3.24Å; S304-Q307 WeakPolarHBondContact OG-CG 3.33Å; S304-Q307 PolarHBondContact OG-N 3.09Å; Q307-A311 WeakPolarHBondContact O-CB 3.45Å; Q307-A311 PolarHBondContact O-N 3.28Å
308	L	32.6	Very low	43.6	Very low	61 Å²	61	91.4 Å²	91.4	32%	0.319	49%	0.488	S	S	.	.	H	α-helix	trans	-65.8	-43.1	169.6	-84.2	166.7	0	0	0	111.4	V303 S304 T305 A311 Q312	V303-L308 HydrophobicContact CG1-CD1 3.77Å; V303-L308 HydrophobicContact CG1-CG 4.48Å; S304-L308 PolarHBondContact O-N 3.39Å; S304-L308 VanDerWaalsContact O-N 3.16Å; T305-L308 PolarHBondContact O-N 3.42Å; L308-A311 PolarHBondContact O-N 3.36Å; L308-Q312 VanDerWaalsContact O-CB 3.3Å; L308-Q312 WeakPolarHBondContact O-CB 3.34Å; L308-Q312 VanDerWaalsContact O-CG 3.29Å; L308-Q312 WeakPolarHBondContact O-CG 3.44Å; L308-Q312 PolarHBondContact O-N 2.87Å
309	V	40.3	Very low	41.4	Very low	82 Å²	82	95.6 Å²	95.6	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-66.9	-38.3	176.9	171.1	0	0	0	0	111.4	T305 E306 Q312 K313	T305-V309 WeakPolarHBondContact O-CB 3.49Å; T305-V309 WeakPolarHBondContact O-CG2 3.01Å; T305-V309 PolarHBondContact O-N 3.49Å; E306-V309 PolarHBondContact O-N 3.27Å; V309-Q312 PolarHBondContact O-N 3.41Å; V309-K313 WeakPolarHBondContact O-CB 3.48Å; V309-K313 PolarHBondContact O-N 3.19Å
310	K	39.5	Very low	39.3	Very low	129 Å²	129	99 Å²	99	56%	0.561	53%	0.529	S	S	*	.	H	α-helix	trans	-69.8	-44	176.3	-170.1	175.9	178.3	-176.8	0	111.8	E306 Q312 K313 E314	E306-K310 WeakPolarHBondContact O-CB 3.31Å; E306-K310 PolarHBondContact O-N 2.97Å; K310-Q312 VanDerWaalsContact C-N 3.31Å; K310-Q312 PolarHBondContact O-N 3.45Å; K310-K313 PolarHBondContact O-N 2.95Å; K310-K313 VanDerWaalsContact O-N 3.12Å; K310-E314 WeakPolarHBondContact CE-OE1 3.36Å; K310-E314 WeakPolarHBondContact O-CG 3.39Å; K310-E314 PolarHBondContact O-N 2.96Å
311	A	36.5	Very low	37.8	Very low	53 Å²	53	103.1 Å²	103.1	44%	0.438	53%	0.531	S	S	.	.	H	α-helix	trans	-61.4	-40	174	0	0	0	0	0	111.3	Q307 L308 L315	Q307-A311 WeakPolarHBondContact O-CB 3.45Å; Q307-A311 PolarHBondContact O-N 3.28Å; L308-A311 PolarHBondContact O-N 3.36Å; A311-L315 WeakPolarHBondContact O-CB 3.36Å; A311-L315 PolarHBondContact O-N 3.46Å
312	Q	36.4	Very low	36.9	Very low	67 Å²	67	107.8 Å²	107.8	31%	0.313	56%	0.557	S	S	.	*	H	α-helix	trans	-67.4	-33.5	173.7	-78.9	-179.6	-20.5	0	0	112.9	L308 V309 K310 R316	L308-Q312 VanDerWaalsContact O-CB 3.3Å; L308-Q312 WeakPolarHBondContact O-CB 3.34Å; L308-Q312 VanDerWaalsContact O-CG 3.29Å; L308-Q312 WeakPolarHBondContact O-CG 3.44Å; L308-Q312 PolarHBondContact O-N 2.87Å; V309-Q312 PolarHBondContact O-N 3.41Å; K310-Q312 VanDerWaalsContact C-N 3.31Å; K310-Q312 PolarHBondContact O-N 3.45Å; Q312-R316 WeakPolarHBondContact O-CB 3.27Å; Q312-R316 WeakPolarHBondContact O-CG 3.46Å; Q312-R316 PolarHBondContact O-N 3.02Å
313	K	40.2	Very low	36.8	Very low	145 Å²	145	111 Å²	111	63%	0.63	58%	0.575	S	S	*	*	H	α-helix	trans	-73.8	-38.8	177.4	-155.7	176.1	-173.4	-179.3	0	111.7	V309 K310 R316 L317	V309-K313 WeakPolarHBondContact O-CB 3.48Å; V309-K313 PolarHBondContact O-N 3.19Å; K310-K313 PolarHBondContact O-N 2.95Å; K310-K313 VanDerWaalsContact O-N 3.12Å; K313-R316 PolarHBondContact O-N 2.57Å; K313-L317 WeakPolarHBondContact O-CG 2.98Å; K313-L317 PolarHBondContact O-N 3.37Å; K313-L317 VanDerWaalsContact O-N 3.17Å
314	E	43.2	Very low	36.4	Very low	115 Å²	115	115.7 Å²	115.7	54%	0.537	60%	0.598	S	S	.	*	H	α-helix	trans	-69.4	-37.4	174.5	-72.9	175.5	-175.4	0	0	111.4	K310 L317 S318	K310-E314 WeakPolarHBondContact CE-OE1 3.36Å; K310-E314 WeakPolarHBondContact O-CG 3.39Å; K310-E314 PolarHBondContact O-N 2.96Å; E314-L317 PolarHBondContact O-N 3.43Å; E314-S318 PolarHBondContact O-N 2.85Å
315	L	37.8	Very low	36.1	Very low	98 Å²	98	120.1 Å²	120.1	51%	0.513	62%	0.618	S	S	.	*	H	α-helix	trans	-66.5	-39.4	173.1	-162.4	77.6	0	0	0	112.1	A311 L317 S318 F319	A311-L315 WeakPolarHBondContact O-CB 3.36Å; A311-L315 PolarHBondContact O-N 3.46Å; L315-L317 PolarHBondContact O-N 3.31Å; L315-S318 WeakPolarHBondContact CA-OG 2.99Å; L315-S318 PolarHBondContact O-N 2.73Å; L315-S318 PolarHBondContact O-OG 3.41Å; L315-F319 HydrophobicContact CD1-CE2 3.84Å; L315-F319 HydrophobicContact CD2-CE2 4.24Å; L315-F319 HydrophobicContact CG-CD2 4.12Å; L315-F319 HydrophobicContact CG-CE2 3.69Å; L315-F319 WeakPolarHBondContact O-CD2 3.25Å; L315-F319 PolarHBondContact O-N 3.32Å
316	R	34.9	Very low	35.8	Very low	156 Å²	156	122.9 Å²	122.9	59%	0.589	63%	0.628	S	S	*	*	H	α-helix	trans	-63.5	-28.1	173	-82.5	-177.9	175.1	122.3	-1.7	113	Q312 K313	Q312-R316 WeakPolarHBondContact O-CB 3.27Å; Q312-R316 WeakPolarHBondContact O-CG 3.46Å; Q312-R316 PolarHBondContact O-N 3.02Å; K313-R316 PolarHBondContact O-N 2.57Å
317	L	40.9	Very low	35.3	Very low	129 Å²	129	123.2 Å²	123.2	68%	0.675	63%	0.63	S	S	*	*	H	α-helix	trans	-81.2	-29.4	175.8	-74.7	161.7	0	0	0	112.4	K313 E314 L315 F319 S320	K313-L317 WeakPolarHBondContact O-CG 2.98Å; K313-L317 PolarHBondContact O-N 3.37Å; K313-L317 VanDerWaalsContact O-N 3.17Å; E314-L317 PolarHBondContact O-N 3.43Å; L315-L317 PolarHBondContact O-N 3.31Å; L317-F319 VanDerWaalsContact C-N 3.31Å; L317-F319 PolarHBondContact O-N 3.45Å; L317-S320 PolarHBondContact O-N 2.82Å
318	S	37.2	Very low	34.7	Very low	76 Å²	76	125 Å²	125	53%	0.531	64%	0.638	S	S	.	*	H	α-helix	trans	-72.8	-20.5	177.2	59.8	0	0	0	0	114.1	E314 L315	E314-S318 PolarHBondContact O-N 2.85Å; L315-S318 WeakPolarHBondContact CA-OG 2.99Å; L315-S318 PolarHBondContact O-N 2.73Å; L315-S318 PolarHBondContact O-OG 3.41Å
319	F	38.6	Very low	34.4	Very low	158 Å²	158	129.4 Å²	129.4	69%	0.693	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-0.9	177.2	-69.8	-66.8	0	0	0	114.5	L315 L317 K321	L315-F319 HydrophobicContact CD1-CE2 3.84Å; L315-F319 HydrophobicContact CD2-CE2 4.24Å; L315-F319 HydrophobicContact CG-CD2 4.12Å; L315-F319 HydrophobicContact CG-CE2 3.69Å; L315-F319 WeakPolarHBondContact O-CD2 3.25Å; L315-F319 PolarHBondContact O-N 3.32Å; L317-F319 VanDerWaalsContact C-N 3.31Å; L317-F319 PolarHBondContact O-N 3.45Å; F319-K321 VanDerWaalsContact C-N 3.27Å; F319-K321 PolarHBondContact O-N 3.15Å
320	S	34.4	Very low	33.6	Very low	100 Å²	100	133.8 Å²	133.8	70%	0.699	68%	0.677	S	S	*	*	S	Bend	trans	-87.3	12.5	177.5	-168.1	0	0	0	0	114	L317	L317-S320 PolarHBondContact O-N 2.82Å
321	K	33	Very low	33	Very low	171 Å²	171	132.3 Å²	132.3	74%	0.743	68%	0.679	S	S	*	*	S	Bend	trans	-114.9	116.5	165.2	-81.2	-175.2	175.6	-179.3	0	109	F319	F319-K321 VanDerWaalsContact C-N 3.27Å; F319-K321 PolarHBondContact O-N 3.15Å
322	D	32.7	Very low	32.7	Very low	139 Å²	139	134.6 Å²	134.6	74%	0.743	69%	0.687	S	S	*	*	S	Bend	trans	66.7	90.1	159.2	-50.4	-36.3	0	0	0	115.1
323	T	33	Very low	32.4	Very low	124 Å²	124	137.3 Å²	137.3	76%	0.761	70%	0.704	S	S	*	*				174.6	123.6	104.4	33.4	0	0	0	0	109.6	N325	T323-N325 VanDerWaalsContact C-N 3.34Å; T323-N325 PolarHBondContact O-N 2.82Å
324	N	30.1	Very low	32.3	Very low	167 Å²	167	133.3 Å²	133.3	89%	0.893	70%	0.704	S	S	*	*			trans	-57.9	99.4	159.9	-76.8	-26.2	0	0	0	107.6
325	N	29.3	Very low	32.6	Very low	140 Å²	140	129.7 Å²	129.7	75%	0.749	69%	0.691	S	S	*	*			trans	-158.3	114	156.2	-90.2	-29.5	0	0	0	107.9	T323 H327	T323-N325 VanDerWaalsContact C-N 3.34Å; T323-N325 PolarHBondContact O-N 2.82Å; N325-H327 VanDerWaalsContact C-N 3.29Å; N325-H327 PolarHBondContact O-N 3.07Å
326	D	28	Very low	33.7	Very low	168 Å²	168	130.5 Å²	130.5	90%	0.898	70%	0.699	S	S	*	*			trans	-63.3	82.1	178.8	-72.6	-46.2	0	0	0	111.1
327	H	26.4	Very low	34.9	Very low	166 Å²	166	124.9 Å²	124.9	77%	0.769	68%	0.681	S	S	*	*			trans	-118	105.3	158.9	-74	-14.9	0	0	0	108.3	N325 D329	N325-H327 VanDerWaalsContact C-N 3.29Å; N325-H327 PolarHBondContact O-N 3.07Å; H327-D329 VanDerWaalsContact C-N 3.25Å; H327-D329 PolarHBondContact O-N 2.97Å
328	Q	24	Very low	36.2	Very low	180 Å²	180	121.6 Å²	121.6	84%	0.841	67%	0.668	S	S	*	*			trans	-76.3	73.6	-169.4	-156.8	157.4	13.3	0	0	109.3	Q330	Q328-Q330 PolarHBondContact O-N 2.61Å
329	D	26.1	Very low	38	Very low	154 Å²	154	118 Å²	118	82%	0.824	64%	0.643	S	S	*	*			trans	-71.7	98.5	175.4	-83.5	-21.6	0	0	0	109.7	H327	H327-D329 VanDerWaalsContact C-N 3.25Å; H327-D329 PolarHBondContact O-N 2.97Å
330	Q	24.6	Very low	40.1	Very low	174 Å²	174	110.5 Å²	110.5	81%	0.813	61%	0.61	S	S	*	*			trans	-64.5	130.8	178	-73.7	178.2	4.8	0	0	111.1	Q328 V332	Q328-Q330 PolarHBondContact O-N 2.61Å; Q330-V332 PolarHBondContact O-N 3.12Å
331	V	26.3	Very low	42.2	Very low	99 Å²	99	105.8 Å²	105.8	60%	0.6	58%	0.577	S	S	*	*			trans	-62.5	117.5	-176.1	176.7	0	0	0	0	111.1	N333	V331-N333 PolarHBondContact O-N 3.27Å
332	V	30.4	Very low	44.6	Very low	100 Å²	100	98.9 Å²	98.9	61%	0.606	55%	0.548	S	S	*	.			trans	-68	108.4	169.6	178.9	0	0	0	0	108.7	Q330	Q330-V332 PolarHBondContact O-N 3.12Å
333	N	30	Very low	47	Very low	125 Å²	125	92.4 Å²	92.4	67%	0.668	51%	0.514	S	S	*	.			trans	-52.4	145.4	172.8	-88.6	-24.5	0	0	0	111.2	V331 S335	V331-N333 PolarHBondContact O-N 3.27Å; N333-S335 PolarHBondContact O-N 2.58Å
334	G	37	Very low	49.2	Very low	61 Å²	61	88.4 Å²	88.4	63%	0.629	49%	0.488	S	S	*	.	S	Bend	trans	-28.9	112.5	-173.1	0	0	0	0	0	114.7	V336	G334-V336 PolarHBondContact O-N 2.74Å
335	S	50.1	Low	51.9	Low	38 Å²	38	80.5 Å²	80.5	27%	0.266	45%	0.445	S	S	.	.			trans	-69.6	89.3	-166.7	25.3	0	0	0	0	112.9	N333 L567	N333-S335 PolarHBondContact O-N 2.58Å; S335-L567 VanDerWaalsContact CB-CD1 3.5Å
336	V	60.6	Low	54.7	Low	115 Å²	115	73.8 Å²	73.8	70%	0.697	41%	0.41	S	S	*	.			trans	-83.3	140.1	164.1	-176.8	0	0	0	0	107.8	G334 C338	G334-V336 PolarHBondContact O-N 2.74Å; V336-C338 PolarHBondContact O-N 2.91Å
337	L	60.3	Low	57.3	Low	39 Å²	39	66.4 Å²	66.4	20%	0.204	37%	0.369	C	S	.	.			trans	-59.4	127.9	171.8	-72.1	166.4	0	0	0	109.8	F340 L567 L568	L337-F340 WeakPolarHBondContact CB-O 3.42Å; L337-L567 HydrophobicContact CD2-CB 3.6Å; L337-L567 HydrophobicContact CG-CB 4.32Å; L337-L568 HydrophobicContact CD1-CD2 3.98Å; L337-L568 HydrophobicContact CD2-CD2 3.8Å; L337-L568 HydrophobicContact CD2-CG 3.76Å
338	C	67.7	Low	60.1	Low	60 Å²	60	58.6 Å²	58.6	41%	0.405	33%	0.333	S	S	.	.	S	Bend	trans	-96.5	-36.4	-173	-69.7	0	0	0	0	113.2	V336 T439 E564	V336-C338 PolarHBondContact O-N 2.91Å; C338-T439 HydrophobicContact CB-CG2 4.13Å; C338-E564 PolarHBondContact N-OE1 3.17Å; C338-E564 PolarHBondContact N-OE2 3.12Å
339	L	75.1	Confident	63.1	Low	0 Å²	0	50 Å²	50	0%	0	29%	0.293	C	S	.	.	S	Bend	trans	-117.6	-41.4	-172.1	173.7	67.9	0	0	0	111.6	I415 H416 F418 I442 L443 E564	L339-I415 HydrophobicContact CD1-CG2 3.53Å; L339-I415 HydrophobicContact CG-CG2 4.13Å; L339-I415 CarbonylContact O-C 3.53Å; L339-I415 WeakPolarHBondContact O-CA 3.45Å; L339-I415 WeakPolarHBondContact O-CG2 3.26Å; L339-H416 PolarHBondContact O-N 3.42Å; L339-F418 HydrophobicContact CD1-CE1 3.63Å; L339-F418 HydrophobicContact CD1-CZ 4.26Å; L339-I442 HydrophobicContact CD2-CB 4.22Å; L339-I442 HydrophobicContact CD2-CG2 3.6Å; L339-L443 HydrophobicContact CD1-CD2 3.94Å; L339-L443 HydrophobicContact CD1-CG 4.26Å; L339-L443 HydrophobicContact CD2-CD2 3.6Å; L339-L443 HydrophobicContact CD2-CG 3.94Å; L339-L443 HydrophobicContact CG-CD2 4.4Å; L339-E564 PolarHBondContact N-OE1 3.38Å
340	F	82.2	Confident	66	Low	0 Å²	0	43 Å²	43	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	158.4	-174.8	-62.8	-72.6	0	0	0	112.3	L337 V414 I415 H416 I442 L446 L507 L508 E564 L568	L337-F340 WeakPolarHBondContact CB-O 3.42Å; F340-V414 CarbonylContact C-O 3.55Å; F340-V414 VanDerWaalsContact CA-O 3.27Å; F340-V414 WeakPolarHBondContact CA-O 3.43Å; F340-I415 HydrophobicContact CD1-CG1 4.08Å; F340-I415 HydrophobicContact CE1-CD1 4.4Å; F340-I415 HydrophobicContact CE1-CG1 4Å; F340-H416 PolarHBondContact O-CD2 3.37Å; F340-H416 VanDerWaalsContact O-CD2 3.31Å; F340-I442 HydrophobicContact CE2-CG2 4.34Å; F340-L446 HydrophobicContact CE2-CD1 3.57Å; F340-L446 HydrophobicContact CZ-CD1 3.58Å; F340-L507 HydrophobicContact CE1-CB 4.32Å; F340-L507 HydrophobicContact CZ-CB 4.38Å; F340-L508 HydrophobicContact CD1-CD2 4.11Å; F340-L508 HydrophobicContact CE1-CD2 4.17Å; F340-E564 HydrophobicContact CD2-CG 3.85Å; F340-E564 HydrophobicContact CE2-CG 4.49Å; F340-E564 PolarHBondContact N-OE1 3.42Å; F340-L568 HydrophobicContact CB-CD1 3.62Å; F340-L568 HydrophobicContact CB-CD2 3.72Å; F340-L568 HydrophobicContact CB-CG 4.05Å; F340-L568 HydrophobicContact CD2-CD1 3.8Å; F340-L568 HydrophobicContact CG-CD1 3.86Å
341	G	79.6	Confident	68.7	Low	1 Å²	1	35.2 Å²	35.2	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	165.6	172.4	0	0	0	0	0	111.5	F413 V414 H416	G341-F413 CarbonylContact O-C 3.55Å; G341-F413 WeakPolarHBondContact O-CA 3.19Å; G341-V414 PolarHBondContact N-O 3.16Å; G341-V414 PolarHBondContact O-N 3.4Å; G341-H416 VanDerWaalsContact CA-NE2 3.3Å; G341-H416 WeakPolarHBondContact CA-NE2 3.47Å
342	I	83.5	Confident	71.6	Confident	26 Å²	26	30.5 Å²	30.5	13%	0.133	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	131.2	165.5	-55.9	-56	0	0	0	108.2	I301 A346 F413 L568 T571 L572 L575	I301-I342 HydrophobicContact CD1-CB 4.47Å; I301-I342 HydrophobicContact CD1-CG1 4.25Å; I342-A346 HydrophobicContact CG2-CB 3.82Å; I342-F413 HydrophobicContact CD1-CD1 3.65Å; I342-F413 HydrophobicContact CD1-CE1 3.51Å; I342-L568 HydrophobicContact CD1-CD2 4.47Å; I342-T571 HydrophobicContact CD1-CG2 4.2Å; I342-T571 HydrophobicContact CG1-CG2 3.57Å; I342-L572 HydrophobicContact CD1-CB 4.36Å; I342-L575 HydrophobicContact CG2-CD2 4Å
343	S	83.3	Confident	74.3	Confident	3 Å²	3	26.7 Å²	26.7	2%	0.021	17%	0.169	C	C	.	.			trans	-66.3	149.4	176.1	79.4	0	0	0	0	111.2	C345 A346 Y347 F411 F412	S343-C345 PolarHBondContact O-N 2.77Å; S343-A346 PolarHBondContact O-N 2.62Å; S343-A346 VanDerWaalsContact OG-CB 3.29Å; S343-A346 WeakPolarHBondContact OG-CB 3.21Å; S343-A346 PolarHBondContact OG-N 3.03Å; S343-Y347 WeakPolarHBondContact O-CB 3.25Å; S343-Y347 PolarHBondContact O-N 3.25Å; S343-F411 WeakPolarHBondContact CB-O 3.23Å; S343-F411 PolarHBondContact OG-O 2.71Å; S343-F412 PolarHBondContact N-O 2.79Å
344	D	79.6	Confident	77	Confident	40 Å²	40	20.9 Å²	20.9	21%	0.214	14%	0.138	C	C	.	.	H	α-helix	trans	-58.7	-31.5	175	-73.6	-51.2	0	0	0	111.8	D150 K298 Y347 Q348	D150-D344 HydrophobicContact CB-CB 4.36Å; K298-D344 IonicContact NZ-OD1 3.75Å; K298-D344 PolarHBondContact NZ-OD1 3.35Å; D344-Y347 WeakPolarHBondContact O-CB 3.05Å; D344-Q348 VanDerWaalsContact O-CB 3.25Å; D344-Q348 WeakPolarHBondContact O-CB 3.35Å; D344-Q348 VanDerWaalsContact O-CG 3.27Å; D344-Q348 WeakPolarHBondContact O-CG 3.28Å; D344-Q348 PolarHBondContact O-N 3.27Å
345	C	86.6	Confident	79.4	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.007	11%	0.11	C	C	.	.	H	α-helix	trans	-67.4	-41.1	175.3	-73.1	0	0	0	0	112.3	S343 Q348 A349 T362 G363 L366	S343-C345 PolarHBondContact O-N 2.77Å; C345-Q348 PolarHBondContact O-N 3.49Å; C345-A349 WeakPolarHBondContact O-CB 3.15Å; C345-A349 PolarHBondContact O-N 3.44Å; C345-T362 HydrophobicContact CB-CG2 3.85Å; C345-G363 WeakPolarHBondContact O-CA 3.41Å; C345-L366 HydrophobicContact CB-CD1 3.86Å
346	A	86.5	Confident	81	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-70.3	-42.3	176.3	0	0	0	0	0	111.1	I342 S343 Q348 A349 Y350 L366 F412	I342-A346 HydrophobicContact CG2-CB 3.82Å; S343-A346 PolarHBondContact O-N 2.62Å; S343-A346 VanDerWaalsContact OG-CB 3.29Å; S343-A346 WeakPolarHBondContact OG-CB 3.21Å; S343-A346 PolarHBondContact OG-N 3.03Å; A346-Q348 VanDerWaalsContact C-N 3.33Å; A346-Q348 PolarHBondContact O-N 2.86Å; A346-A349 WeakPolarHBondContact O-CB 3.21Å; A346-A349 PolarHBondContact O-N 3.47Å; A346-Y350 VanDerWaalsContact O-CD2 3.3Å; A346-Y350 WeakPolarHBondContact O-CD2 3.24Å; A346-L366 HydrophobicContact CB-CD1 4.15Å; A346-F412 HydrophobicContact CB-CD1 4.14Å; A346-F412 WeakPolarHBondContact CB-O 3.39Å
347	Y	84	Confident	82	Confident	13 Å²	13	18.7 Å²	18.7	5%	0.051	10%	0.096	C	C	.	.	H	α-helix	trans	-51.7	-53.3	169.4	171.4	-98.2	0	0	0	111	L149 G193 A299 I301 S343 D344 A349 Y350 S351 L575	L149-Y347 HydrophobicContact CD2-CD1 4.35Å; L149-Y347 HydrophobicContact CD2-CE1 4.2Å; G193-Y347 PolarHBondContact O-OH 3.3Å; A299-Y347 VanDerWaalsContact C-OH 3.28Å; A299-Y347 WeakPolarHBondContact CA-OH 3.47Å; A299-Y347 VanDerWaalsContact CB-OH 3.28Å; A299-Y347 WeakPolarHBondContact CB-OH 3.48Å; A299-Y347 PolarHBondContact N-OH 3.47Å; A299-Y347 WeakPolarHBondContact O-CE2 3.34Å; A299-Y347 VanDerWaalsContact O-CZ 3.27Å; A299-Y347 PolarHBondContact O-OH 3.19Å; I301-Y347 HydrophobicContact CD1-CD2 4.35Å; I301-Y347 HydrophobicContact CG1-CD2 3.98Å; I301-Y347 HydrophobicContact CG1-CE2 4.14Å; S343-Y347 WeakPolarHBondContact O-CB 3.25Å; S343-Y347 PolarHBondContact O-N 3.25Å; D344-Y347 WeakPolarHBondContact O-CB 3.05Å; Y347-A349 PolarHBondContact O-N 2.87Å; Y347-Y350 CarbonylContact O-C 3.59Å; Y347-Y350 PolarHBondContact O-N 3.14Å; Y347-Y350 VanDerWaalsContact O-N 3.12Å; Y347-S351 VanDerWaalsContact CD1-OG 3.31Å; Y347-S351 WeakPolarHBondContact CD1-OG 3.35Å; Y347-S351 WeakPolarHBondContact CE1-OG 3.5Å; Y347-S351 WeakPolarHBondContact O-CB 3.18Å; Y347-S351 PolarHBondContact O-N 2.99Å; Y347-S351 PolarHBondContact O-OG 2.97Å; Y347-L575 HydrophobicContact CD2-CD1 4.26Å
348	Q	84.2	Confident	83.3	Confident	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-63.4	-34.7	179.4	-83.1	-177.8	16.1	0	0	114.5	D150 Y162 D344 C345 A346 Y350 S351 S352 V355	D150-Q348 PolarHBondContact O-NE2 3.26Å; D150-Q348 PolarHBondContact O-OE1 2.93Å; D150-Q348 VanDerWaalsContact O-OE1 3.09Å; Y162-Q348 PolarHBondContact OH-NE2 2.95Å; D344-Q348 VanDerWaalsContact O-CB 3.25Å; D344-Q348 WeakPolarHBondContact O-CB 3.35Å; D344-Q348 VanDerWaalsContact O-CG 3.27Å; D344-Q348 WeakPolarHBondContact O-CG 3.28Å; D344-Q348 PolarHBondContact O-N 3.27Å; C345-Q348 PolarHBondContact O-N 3.49Å; A346-Q348 VanDerWaalsContact C-N 3.33Å; A346-Q348 PolarHBondContact O-N 2.86Å; Q348-Y350 PolarHBondContact O-N 3.12Å; Q348-S351 WeakPolarHBondContact CA-OG 3.36Å; Q348-S351 PolarHBondContact O-N 3.39Å; Q348-S352 WeakPolarHBondContact O-CB 3.44Å; Q348-S352 PolarHBondContact O-N 3.32Å; Q348-V355 HydrophobicContact CB-CG2 4.1Å
349	A	87.7	Confident	84.3	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-54.8	-25.4	175.4	0	0	0	0	0	112.5	C345 A346 Y347 G363 L366 K367	C345-A349 WeakPolarHBondContact O-CB 3.15Å; C345-A349 PolarHBondContact O-N 3.44Å; A346-A349 WeakPolarHBondContact O-CB 3.21Å; A346-A349 PolarHBondContact O-N 3.47Å; Y347-A349 PolarHBondContact O-N 2.87Å; A349-G363 WeakPolarHBondContact CB-O 3.32Å; A349-L366 HydrophobicContact CB-CB 4.46Å; A349-K367 HydrophobicContact CB-CB 4.29Å
350	Y	86.1	Confident	84.9	Confident	6 Å²	6	24.1 Å²	24.1	2%	0.024	13%	0.125	C	C	.	.	H	α-helix	trans	-122.1	-4	-178.2	-63.4	-75.9	0	0	0	114.2	A346 Y347 Q348 K367 V370 L575 M576 N579	A346-Y350 VanDerWaalsContact O-CD2 3.3Å; A346-Y350 WeakPolarHBondContact O-CD2 3.24Å; Y347-Y350 CarbonylContact O-C 3.59Å; Y347-Y350 PolarHBondContact O-N 3.14Å; Y347-Y350 VanDerWaalsContact O-N 3.12Å; Q348-Y350 PolarHBondContact O-N 3.12Å; Y350-K367 HydrophobicContact CD1-CD 4.11Å; Y350-K367 HydrophobicContact CE1-CD 3.4Å; Y350-V370 VanDerWaalsContact OH-CG2 3.28Å; Y350-V370 WeakPolarHBondContact OH-CG2 3.3Å; Y350-L575 VanDerWaalsContact CB-CG 3.48Å; Y350-L575 WeakPolarHBondContact CB-O 3.35Å; Y350-L575 HydrophobicContact CD2-CD2 3.82Å; Y350-L575 HydrophobicContact CD2-CG 3.85Å; Y350-L575 HydrophobicContact CG-CD2 4.39Å; Y350-L575 HydrophobicContact CG-CG 3.93Å; Y350-M576 HydrophobicContact CD1-CG 4.34Å; Y350-M576 HydrophobicContact CE1-CB 4.27Å; Y350-M576 HydrophobicContact CE1-CG 3.83Å; Y350-M576 HydrophobicContact CE2-CG 4.1Å; Y350-N579 WeakPolarHBondContact O-CB 3.5Å; Y350-N579 PolarHBondContact O-ND2 2.94Å
351	S	82.9	Confident	85.3	Confident	11 Å²	11	24.2 Å²	24.2	8%	0.077	13%	0.126	C	C	.	.	H	α-helix	trans	-115	-17.5	177.5	68.7	0	0	0	0	113.4	G193 Y347 Q348 P353	G193-S351 WeakPolarHBondContact CA-O 3.49Å; Y347-S351 VanDerWaalsContact CD1-OG 3.31Å; Y347-S351 WeakPolarHBondContact CD1-OG 3.35Å; Y347-S351 WeakPolarHBondContact CE1-OG 3.5Å; Y347-S351 WeakPolarHBondContact O-CB 3.18Å; Y347-S351 PolarHBondContact O-N 2.99Å; Y347-S351 PolarHBondContact O-OG 2.97Å; Q348-S351 WeakPolarHBondContact CA-OG 3.36Å; Q348-S351 PolarHBondContact O-N 3.39Å; S351-P353 WeakPolarHBondContact O-CD 2.9Å
352	S	86.9	Confident	85.9	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.			trans	-118.2	100.4	-170.2	-180	0	0	0	0	111.5	C191 Q348 S354 V355	C191-S352 PolarHBondContact O-OG 2.85Å; C191-S352 VanDerWaalsContact O-OG 3.13Å; Q348-S352 WeakPolarHBondContact O-CB 3.44Å; Q348-S352 PolarHBondContact O-N 3.32Å; S352-S354 PolarHBondContact O-N 3.46Å; S352-S354 VanDerWaalsContact O-N 3.17Å; S352-V355 WeakPolarHBondContact O-CB 3.31Å; S352-V355 PolarHBondContact O-N 3.04Å; S352-V355 VanDerWaalsContact O-N 3.07Å
353	P	86.4	Confident	86.3	Confident	20 Å²	20	23 Å²	23	13%	0.13	12%	0.119	C	C	.	.	H	α-helix	trans	-51.9	-34.2	170.8	-29.7	34.9	0	0	0	113.9	C191 S351 V355 L356 L582	C191-P353 WeakPolarHBondContact O-CD 3.47Å; S351-P353 WeakPolarHBondContact O-CD 2.9Å; P353-V355 VanDerWaalsContact C-N 3.26Å; P353-V355 PolarHBondContact O-N 3.5Å; P353-L356 PolarHBondContact O-N 2.88Å; P353-L582 VanDerWaalsContact CB-O 3.24Å; P353-L582 WeakPolarHBondContact CB-O 3.32Å; P353-L582 HydrophobicContact CG-CD2 3.83Å; P353-L582 VanDerWaalsContact CG-O 3.29Å; P353-L582 WeakPolarHBondContact CG-O 3.12Å
354	S	87.1	Confident	86.7	Confident	4 Å²	4	26.4 Å²	26.4	3%	0.028	13%	0.132	C	C	.	.	H	α-helix	trans	-55.4	-41.6	176.8	169.3	0	0	0	0	112.5	C191 Y192 S352 L356 R357	C191-S354 WeakPolarHBondContact O-CB 3.35Å; C191-S354 PolarHBondContact O-N 3.49Å; Y192-S354 WeakPolarHBondContact CE1-OG 3.3Å; Y192-S354 PolarHBondContact OH-OG 3.46Å; S352-S354 PolarHBondContact O-N 3.46Å; S352-S354 VanDerWaalsContact O-N 3.17Å; S354-L356 PolarHBondContact O-N 2.86Å; S354-R357 WeakPolarHBondContact O-CB 3.5Å; S354-R357 PolarHBondContact O-N 2.98Å; S354-R357 VanDerWaalsContact O-N 3.13Å
355	V	86	Confident	87.5	Confident	5 Å²	5	26.4 Å²	26.4	3%	0.03	13%	0.13	C	C	.	.	H	α-helix	trans	-67.5	-38	-177.4	161.4	0	0	0	0	111	Q348 S352 P353 R357 D358 S361 G363 Y364	Q348-V355 HydrophobicContact CB-CG2 4.1Å; S352-V355 WeakPolarHBondContact O-CB 3.31Å; S352-V355 PolarHBondContact O-N 3.04Å; S352-V355 VanDerWaalsContact O-N 3.07Å; P353-V355 VanDerWaalsContact C-N 3.26Å; P353-V355 PolarHBondContact O-N 3.5Å; V355-R357 PolarHBondContact O-N 3.06Å; V355-R357 VanDerWaalsContact O-N 3.14Å; V355-D358 PolarHBondContact O-N 3.19Å; V355-S361 WeakPolarHBondContact CG1-OG 3.17Å; V355-S361 PolarHBondContact O-OG 2.93Å; V355-S361 VanDerWaalsContact O-OG 3.06Å; V355-G363 VanDerWaalsContact CG1-C 3.46Å; V355-G363 VanDerWaalsContact CG1-CA 3.45Å; V355-Y364 VanDerWaalsContact CG1-N 3.33Å
356	L	83.9	Confident	87.9	Confident	44 Å²	44	26.3 Å²	26.3	23%	0.23	13%	0.13	C	C	.	.	H	α-helix	trans	-66.4	-14.4	175.8	-60.5	-173.3	0	0	0	114	P353 S354 Y364 K367 L582	P353-L356 PolarHBondContact O-N 2.88Å; S354-L356 PolarHBondContact O-N 2.86Å; L356-Y364 WeakPolarHBondContact O-CD2 3.34Å; L356-Y364 WeakPolarHBondContact O-CE2 3.35Å; L356-K367 HydrophobicContact CD2-CB 4Å; L356-K367 HydrophobicContact CD2-CG 3.9Å; L356-L582 HydrophobicContact CD1-CB 3.77Å; L356-L582 HydrophobicContact CD1-CD1 3.86Å; L356-L582 HydrophobicContact CD1-CG 4.44Å
357	R	82.1	Confident	88.1	Confident	119 Å²	119	28.6 Å²	28.6	45%	0.449	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-8.6	175.1	-63.6	-178.9	64	-175.6	-1.1	113.5	S354 V355 P359 C587	S354-R357 WeakPolarHBondContact O-CB 3.5Å; S354-R357 PolarHBondContact O-N 2.98Å; S354-R357 VanDerWaalsContact O-N 3.13Å; V355-R357 PolarHBondContact O-N 3.06Å; V355-R357 VanDerWaalsContact O-N 3.14Å; R357-P359 WeakPolarHBondContact O-CD 3.33Å; R357-C587 PolarHBondContact NH1-SG 3.41Å; R357-C587 VanDerWaalsContact NH1-SG 3.4Å
358	D	87	Confident	88.6	Confident	21 Å²	21	30.1 Å²	30.1	11%	0.112	15%	0.148	C	C	.	.			trans	-117	100.8	-179.1	-176.8	7.5	0	0	0	111.6	R153 V355 N360 S361 Y364	R153-D358 WeakPolarHBondContact CD-OD2 3.23Å; R153-D358 IonicContact CZ-OD2 3.6Å; R153-D358 IonicContact NE-OD2 2.82Å; R153-D358 IonicContact NH1-OD2 3.92Å; R153-D358 PolarHBondContact NH1-OD2 3.09Å; V355-D358 PolarHBondContact O-N 3.19Å; D358-N360 PolarHBondContact O-N 2.92Å; D358-N360 VanDerWaalsContact O-N 3.08Å; D358-N360 VanDerWaalsContact OD1-CB 3.31Å; D358-N360 WeakPolarHBondContact OD1-CB 3.42Å; D358-N360 PolarHBondContact OD1-N 2.68Å; D358-N360 PolarHBondContact OD1-ND2 3.34Å; D358-S361 WeakPolarHBondContact O-CB 3.39Å; D358-S361 PolarHBondContact O-N 3.16Å; D358-S361 PolarHBondContact O-OG 3.46Å; D358-Y364 WeakPolarHBondContact O-CB 3.37Å
359	P	89.6	Confident	89.2	Confident	72 Å²	72	30.1 Å²	30.1	47%	0.468	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.3	175.7	-25.3	35	0	0	0	114.6	R357 Y364	R357-P359 WeakPolarHBondContact O-CD 3.33Å; P359-Y364 HydrophobicContact CB-CD1 4.32Å; P359-Y364 HydrophobicContact CB-CE1 4.13Å
360	N	88.2	Confident	89.5	Confident	120 Å²	120	30.3 Å²	30.3	64%	0.642	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-16.2	178.9	-59.4	-57	0	0	0	112.8	D358	D358-N360 PolarHBondContact O-N 2.92Å; D358-N360 VanDerWaalsContact O-N 3.08Å; D358-N360 VanDerWaalsContact OD1-CB 3.31Å; D358-N360 WeakPolarHBondContact OD1-CB 3.42Å; D358-N360 PolarHBondContact OD1-N 2.68Å; D358-N360 PolarHBondContact OD1-ND2 3.34Å
361	S	90.8	Very high	89.8	Confident	1 Å²	1	33 Å²	33	1%	0.007	16%	0.164	C	C	.	.	S	Bend	trans	-70.6	140.8	178.4	75	0	0	0	0	111.2	V355 D358 G363 Y364 K365	V355-S361 WeakPolarHBondContact CG1-OG 3.17Å; V355-S361 PolarHBondContact O-OG 2.93Å; V355-S361 VanDerWaalsContact O-OG 3.06Å; D358-S361 WeakPolarHBondContact O-CB 3.39Å; D358-S361 PolarHBondContact O-N 3.16Å; D358-S361 PolarHBondContact O-OG 3.46Å; S361-G363 VanDerWaalsContact C-N 3.26Å; S361-G363 PolarHBondContact O-N 3.09Å; S361-Y364 WeakPolarHBondContact O-CB 3.34Å; S361-Y364 PolarHBondContact O-N 2.86Å; S361-Y364 VanDerWaalsContact OG-CB 3.25Å; S361-Y364 WeakPolarHBondContact OG-CB 3.44Å; S361-Y364 PolarHBondContact OG-N 3.15Å; S361-K365 WeakPolarHBondContact O-CG 3.49Å; S361-K365 PolarHBondContact O-N 3.49Å
362	T	92.1	Very high	90.4	Very high	1 Å²	1	36 Å²	36	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-65	-32	177.1	-68	0	0	0	0	112	G152 C345 K365 L366 P408 T409	G152-T362 PolarHBondContact O-N 2.85Å; G152-T362 PolarHBondContact O-OG1 3.11Å; C345-T362 HydrophobicContact CB-CG2 3.85Å; T362-K365 PolarHBondContact O-N 3.29Å; T362-L366 HydrophobicContact CG2-CD1 4.26Å; T362-L366 HydrophobicContact CG2-CG 4.31Å; T362-L366 WeakPolarHBondContact O-CB 3.49Å; T362-L366 WeakPolarHBondContact O-CG 3.48Å; T362-L366 PolarHBondContact O-N 3.48Å; T362-P408 HydrophobicContact CG2-CB 4.05Å; T362-T409 PolarHBondContact OG1-N 3.14Å; T362-T409 PolarHBondContact OG1-OG1 2.98Å
363	G	91.5	Very high	90.8	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65	-39.4	174	0	0	0	0	0	113.1	C345 A349 V355 S361 K365 L366 K367	C345-G363 WeakPolarHBondContact O-CA 3.41Å; A349-G363 WeakPolarHBondContact CB-O 3.32Å; V355-G363 VanDerWaalsContact CG1-C 3.46Å; V355-G363 VanDerWaalsContact CG1-CA 3.45Å; S361-G363 VanDerWaalsContact C-N 3.26Å; S361-G363 PolarHBondContact O-N 3.09Å; G363-K365 VanDerWaalsContact C-N 3.35Å; G363-K365 PolarHBondContact O-N 3.36Å; G363-L366 PolarHBondContact O-N 2.83Å; G363-K367 PolarHBondContact O-N 3.35Å
364	Y	92.6	Very high	91.1	Very high	75 Å²	75	35.4 Å²	35.4	29%	0.294	17%	0.17	S	C	.	.	H	α-helix	trans	-58.8	-47.9	171.9	179	-84.6	0	0	0	111.3	V355 L356 D358 P359 S361 L366 K367 L368	V355-Y364 VanDerWaalsContact CG1-N 3.33Å; L356-Y364 WeakPolarHBondContact O-CD2 3.34Å; L356-Y364 WeakPolarHBondContact O-CE2 3.35Å; D358-Y364 WeakPolarHBondContact O-CB 3.37Å; P359-Y364 HydrophobicContact CB-CD1 4.32Å; P359-Y364 HydrophobicContact CB-CE1 4.13Å; S361-Y364 WeakPolarHBondContact O-CB 3.34Å; S361-Y364 PolarHBondContact O-N 2.86Å; S361-Y364 VanDerWaalsContact OG-CB 3.25Å; S361-Y364 WeakPolarHBondContact OG-CB 3.44Å; S361-Y364 PolarHBondContact OG-N 3.15Å; Y364-L366 VanDerWaalsContact C-N 3.33Å; Y364-L366 PolarHBondContact O-N 3.08Å; Y364-K367 PolarHBondContact O-N 2.96Å; Y364-L368 HydrophobicContact CE1-CB 4.5Å; Y364-L368 HydrophobicContact CE1-CD2 3.95Å; Y364-L368 WeakPolarHBondContact O-CB 3.39Å; Y364-L368 PolarHBondContact O-N 2.69Å
365	K	95.4	Very high	91.3	Very high	40 Å²	40	39.5 Å²	39.5	17%	0.174	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-40.5	179.8	-67.6	166.4	169.7	-172.4	0	111.9	S361 T362 G363 L368 L369 L406 R407 P408	S361-K365 WeakPolarHBondContact O-CG 3.49Å; S361-K365 PolarHBondContact O-N 3.49Å; T362-K365 PolarHBondContact O-N 3.29Å; G363-K365 VanDerWaalsContact C-N 3.35Å; G363-K365 PolarHBondContact O-N 3.36Å; K365-L368 PolarHBondContact O-N 3.15Å; K365-L369 VanDerWaalsContact O-CB 3.31Å; K365-L369 WeakPolarHBondContact O-CB 3.34Å; K365-L369 PolarHBondContact O-N 2.93Å; K365-L406 HydrophobicContact CB-CB 4.49Å; K365-L406 WeakPolarHBondContact CD-O 3.38Å; K365-L406 WeakPolarHBondContact CE-O 3.44Å; K365-L406 PolarHBondContact NZ-O 3.03Å; K365-R407 PolarHBondContact NZ-O 3.14Å; K365-R407 VanDerWaalsContact NZ-O 3.15Å; K365-P408 HydrophobicContact CB-CB 4.13Å
366	L	94.1	Very high	91.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.3	-41.7	175.2	-73	178.6	0	0	0	111.9	C345 A346 A349 T362 G363 Y364 L368 L369 V370 P408 F412	C345-L366 HydrophobicContact CB-CD1 3.86Å; A346-L366 HydrophobicContact CB-CD1 4.15Å; A349-L366 HydrophobicContact CB-CB 4.46Å; T362-L366 HydrophobicContact CG2-CD1 4.26Å; T362-L366 HydrophobicContact CG2-CG 4.31Å; T362-L366 WeakPolarHBondContact O-CB 3.49Å; T362-L366 WeakPolarHBondContact O-CG 3.48Å; T362-L366 PolarHBondContact O-N 3.48Å; G363-L366 PolarHBondContact O-N 2.83Å; Y364-L366 VanDerWaalsContact C-N 3.33Å; Y364-L366 PolarHBondContact O-N 3.08Å; L366-L368 VanDerWaalsContact C-N 3.35Å; L366-L368 PolarHBondContact O-N 2.75Å; L366-L369 HydrophobicContact CD2-CD2 4.43Å; L366-L369 PolarHBondContact O-N 3.28Å; L366-V370 PolarHBondContact O-N 3.41Å; L366-P408 HydrophobicContact CD2-CB 4.14Å; L366-P408 HydrophobicContact CD2-CG 4.49Å; L366-P408 HydrophobicContact CG-CB 4.44Å; L366-F412 HydrophobicContact CB-CE1 3.92Å; L366-F412 HydrophobicContact CB-CZ 4.03Å; L366-F412 HydrophobicContact CD2-CD2 4.23Å; L366-F412 HydrophobicContact CD2-CE1 4.2Å; L366-F412 HydrophobicContact CD2-CE2 3.86Å; L366-F412 HydrophobicContact CD2-CZ 3.82Å; L366-F412 HydrophobicContact CG-CZ 4.49Å; L366-F412 WeakPolarHBondContact O-CZ 3.38Å
367	K	92.1	Very high	92.1	Very high	47 Å²	47	38.3 Å²	38.3	20%	0.204	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-46.6	174.8	-176.8	63.8	178.7	70.6	0	111.3	A349 Y350 L356 G363 Y364 L369 V370 D371	A349-K367 HydrophobicContact CB-CB 4.29Å; Y350-K367 HydrophobicContact CD1-CD 4.11Å; Y350-K367 HydrophobicContact CE1-CD 3.4Å; L356-K367 HydrophobicContact CD2-CB 4Å; L356-K367 HydrophobicContact CD2-CG 3.9Å; G363-K367 PolarHBondContact O-N 3.35Å; Y364-K367 PolarHBondContact O-N 2.96Å; K367-L369 VanDerWaalsContact C-N 3.34Å; K367-L369 PolarHBondContact O-N 2.7Å; K367-V370 PolarHBondContact O-N 3.01Å; K367-D371 IonicContact NZ-OD1 3.01Å; K367-D371 PolarHBondContact NZ-OD1 2.99Å; K367-D371 IonicContact NZ-OD2 2.7Å; K367-D371 PolarHBondContact NZ-OD2 3.36Å; K367-D371 PolarHBondContact O-N 2.75Å
368	L	94.5	Very high	92.4	Very high	45 Å²	45	39 Å²	39	24%	0.236	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-38.8	177.6	-177.3	57.4	0	0	0	112.1	Y364 K365 L366 V370 D371 R372 L406	Y364-L368 HydrophobicContact CE1-CB 4.5Å; Y364-L368 HydrophobicContact CE1-CD2 3.95Å; Y364-L368 WeakPolarHBondContact O-CB 3.39Å; Y364-L368 PolarHBondContact O-N 2.69Å; K365-L368 PolarHBondContact O-N 3.15Å; L366-L368 VanDerWaalsContact C-N 3.35Å; L366-L368 PolarHBondContact O-N 2.75Å; L368-V370 PolarHBondContact O-N 3.19Å; L368-D371 PolarHBondContact O-N 2.9Å; L368-R372 HydrophobicContact CD1-CG 4.34Å; L368-R372 WeakPolarHBondContact O-CG 3.12Å; L368-R372 PolarHBondContact O-N 3.28Å; L368-L406 HydrophobicContact CD2-CD2 3.65Å; L368-L406 HydrophobicContact CG-CD1 4.38Å; L368-L406 HydrophobicContact CG-CD2 4.21Å
369	L	96.2	Very high	92.4	Very high	1 Å²	1	41 Å²	41	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-43.4	174.6	180	61.1	0	0	0	111.5	K365 L366 K367 W373 L399 E402 I403 L406 F412	K365-L369 VanDerWaalsContact O-CB 3.31Å; K365-L369 WeakPolarHBondContact O-CB 3.34Å; K365-L369 PolarHBondContact O-N 2.93Å; L366-L369 HydrophobicContact CD2-CD2 4.43Å; L366-L369 PolarHBondContact O-N 3.28Å; K367-L369 VanDerWaalsContact C-N 3.34Å; K367-L369 PolarHBondContact O-N 2.7Å; L369-W373 WeakPolarHBondContact O-CB 3.29Å; L369-W373 PolarHBondContact O-N 2.9Å; L369-L399 HydrophobicContact CD1-CD1 4.18Å; L369-L399 HydrophobicContact CD2-CD1 4.45Å; L369-L399 HydrophobicContact CG-CD1 4.45Å; L369-E402 HydrophobicContact CD1-CB 3.48Å; L369-E402 VanDerWaalsContact CD1-CB 3.48Å; L369-I403 HydrophobicContact CD1-CG1 4.26Å; L369-I403 HydrophobicContact CD2-CD1 4.38Å; L369-I403 HydrophobicContact CD2-CG1 3.74Å; L369-L406 HydrophobicContact CB-CD1 3.77Å; L369-L406 HydrophobicContact CD1-CD1 4.18Å; L369-F412 HydrophobicContact CD2-CE2 3.87Å; L369-F412 HydrophobicContact CD2-CZ 4.35Å; L369-F412 HydrophobicContact CG-CE2 4.41Å
370	V	93.4	Very high	91.9	Very high	4 Å²	4	42 Å²	42	2%	0.024	20%	0.202	C	C	.	.	H	α-helix	trans	-62.2	-46	173.9	171.8	0	0	0	0	111.3	Y350 L366 K367 L368 R372 W373 V374 F412 F516 M576	Y350-V370 VanDerWaalsContact OH-CG2 3.28Å; Y350-V370 WeakPolarHBondContact OH-CG2 3.3Å; L366-V370 PolarHBondContact O-N 3.41Å; K367-V370 PolarHBondContact O-N 3.01Å; L368-V370 PolarHBondContact O-N 3.19Å; V370-R372 VanDerWaalsContact C-N 3.32Å; V370-R372 PolarHBondContact O-N 3.4Å; V370-W373 WeakPolarHBondContact O-CB 3.3Å; V370-W373 PolarHBondContact O-N 3.37Å; V370-W373 VanDerWaalsContact O-N 3.14Å; V370-V374 HydrophobicContact CG1-CG2 4.02Å; V370-V374 WeakPolarHBondContact O-CB 3.49Å; V370-V374 VanDerWaalsContact O-CG2 3.31Å; V370-V374 WeakPolarHBondContact O-CG2 3.44Å; V370-V374 PolarHBondContact O-N 3.32Å; V370-F412 HydrophobicContact CG2-CD1 4.44Å; V370-F412 HydrophobicContact CG2-CE1 3.33Å; V370-F412 HydrophobicContact CG2-CE2 4.27Å; V370-F412 HydrophobicContact CG2-CZ 3.23Å; V370-F516 HydrophobicContact CG1-CE2 4.39Å; V370-F516 HydrophobicContact CG1-CZ 4.3Å; V370-M576 HydrophobicContact CG1-CE 3.41Å; V370-M576 VanDerWaalsContact CG1-CE 3.41Å; V370-M576 HydrophobicContact CG2-CE 4.49Å
371	D	92.5	Very high	91.2	Very high	62 Å²	62	36.8 Å²	36.8	33%	0.332	18%	0.175	S	C	.	.	H	α-helix	trans	-60.6	-45.6	-177.4	-67.7	-22.5	0	0	0	110.4	K367 L368 W373 V374 D375	K367-D371 IonicContact NZ-OD1 3.01Å; K367-D371 PolarHBondContact NZ-OD1 2.99Å; K367-D371 IonicContact NZ-OD2 2.7Å; K367-D371 PolarHBondContact NZ-OD2 3.36Å; K367-D371 PolarHBondContact O-N 2.75Å; L368-D371 PolarHBondContact O-N 2.9Å; D371-W373 PolarHBondContact O-N 2.94Å; D371-V374 PolarHBondContact O-N 3.01Å; D371-D375 WeakPolarHBondContact O-CB 3.44Å; D371-D375 VanDerWaalsContact O-CG 3.27Å; D371-D375 PolarHBondContact O-N 3.42Å
372	R	96	Very high	90.2	Very high	75 Å²	75	45.8 Å²	45.8	28%	0.283	22%	0.217	S	C	.	.	H	α-helix	trans	-64	-37.4	173.9	-66.6	-176	-174.5	-171	-5.5	113.1	L368 V370 W376 Y398 E402	L368-R372 HydrophobicContact CD1-CG 4.34Å; L368-R372 WeakPolarHBondContact O-CG 3.12Å; L368-R372 PolarHBondContact O-N 3.28Å; V370-R372 VanDerWaalsContact C-N 3.32Å; V370-R372 PolarHBondContact O-N 3.4Å; R372-W376 WeakPolarHBondContact O-CB 3.16Å; R372-W376 PolarHBondContact O-N 3.38Å; R372-Y398 PolarHBondContact O-OH 3.25Å; R372-E402 WeakPolarHBondContact CD-OE2 3.45Å; R372-E402 IonicContact CZ-OE2 3.29Å; R372-E402 IonicContact NE-OE2 3.92Å; R372-E402 IonicContact NH1-OE2 2.81Å; R372-E402 PolarHBondContact NH1-OE2 3.25Å
373	W	95.5	Very high	89	Confident	1 Å²	1	46.7 Å²	46.7	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-64.5	-45	175.8	176.1	-118.9	0	0	0	112	L369 V370 D371 W376 L377 A395 Y398 L399 L513 F516 M548	L369-W373 WeakPolarHBondContact O-CB 3.29Å; L369-W373 PolarHBondContact O-N 2.9Å; V370-W373 WeakPolarHBondContact O-CB 3.3Å; V370-W373 PolarHBondContact O-N 3.37Å; V370-W373 VanDerWaalsContact O-N 3.14Å; D371-W373 PolarHBondContact O-N 2.94Å; W373-W376 AromaticContact CE3-CE3 3.79Å; W373-W376 HydrophobicContact CE3-CE3 3.79Å; W373-W376 HydrophobicContact CE3-CZ3 4.25Å; W373-W376 AromaticContact CH2-CE3 3.84Å; W373-W376 HydrophobicContact CH2-CE3 3.84Å; W373-W376 HydrophobicContact CH2-CH2 4.36Å; W373-W376 AromaticContact CH2-CZ3 3.43Å; W373-W376 HydrophobicContact CH2-CZ3 3.43Å; W373-W376 VanDerWaalsContact CH2-CZ3 3.43Å; W373-W376 HydrophobicContact CZ2-CZ3 4.36Å; W373-W376 HydrophobicContact CZ3-CD2 4.27Å; W373-W376 AromaticContact CZ3-CE3 3.35Å; W373-W376 HydrophobicContact CZ3-CE3 3.35Å; W373-W376 HydrophobicContact CZ3-CH2 4.29Å; W373-W376 AromaticContact CZ3-CZ3 3.37Å; W373-W376 HydrophobicContact CZ3-CZ3 3.37Å; W373-W376 PolarHBondContact O-N 3.25Å; W373-L377 HydrophobicContact CD2-CD1 4.21Å; W373-L377 HydrophobicContact CD2-CG 4.31Å; W373-L377 HydrophobicContact CG-CD1 4.32Å; W373-L377 HydrophobicContact CH2-CD2 4.29Å; W373-L377 HydrophobicContact CZ2-CD1 4.08Å; W373-L377 HydrophobicContact CZ2-CD2 3.97Å; W373-L377 HydrophobicContact CZ2-CG 4.17Å; W373-L377 VanDerWaalsContact O-CG 3.31Å; W373-L377 WeakPolarHBondContact O-CG 3.49Å; W373-L377 PolarHBondContact O-N 2.92Å; W373-A395 HydrophobicContact CH2-CB 3.93Å; W373-A395 HydrophobicContact CZ3-CB 4.49Å; W373-Y398 AromaticContact CE3-CD1 3.69Å; W373-Y398 HydrophobicContact CE3-CD1 3.69Å; W373-Y398 HydrophobicContact CE3-CE1 4.05Å; W373-Y398 AromaticContact CZ3-CD1 3.93Å; W373-Y398 HydrophobicContact CZ3-CD1 3.93Å; W373-L399 HydrophobicContact CZ3-CB 4.45Å; W373-L513 HydrophobicContact CH2-CD2 4.36Å; W373-L513 HydrophobicContact CZ2-CD2 4.13Å; W373-F516 AromaticContact CD1-CE1 3.87Å; W373-F516 AromaticContact CD1-CE2 3.68Å; W373-F516 AromaticContact CD1-CZ 3.51Å; W373-F516 AromaticContact NE1-CD1 3.94Å; W373-F516 AromaticContact NE1-CE1 3.86Å; W373-F516 AromaticContact NE1-CZ 3.92Å; W373-M548 HydrophobicContact CH2-CE 3.7Å; W373-M548 HydrophobicContact CZ2-CE 3.85Å
374	V	92.3	Very high	87.7	Confident	7 Å²	7	50.4 Å²	50.4	4%	0.042	25%	0.247	C	C	.	.	H	α-helix	trans	-66	-41.3	177.3	170.4	0	0	0	0	111.1	V370 D371 W376 L377 R378 F516 F521	V370-V374 HydrophobicContact CG1-CG2 4.02Å; V370-V374 WeakPolarHBondContact O-CB 3.49Å; V370-V374 VanDerWaalsContact O-CG2 3.31Å; V370-V374 WeakPolarHBondContact O-CG2 3.44Å; V370-V374 PolarHBondContact O-N 3.32Å; D371-V374 PolarHBondContact O-N 3.01Å; V374-W376 VanDerWaalsContact C-N 3.34Å; V374-L377 PolarHBondContact O-N 3.47Å; V374-R378 WeakPolarHBondContact O-CG 3.34Å; V374-R378 PolarHBondContact O-N 2.64Å; V374-F516 HydrophobicContact CG2-CE1 4.46Å; V374-F516 HydrophobicContact CG2-CZ 4.01Å; V374-F521 HydrophobicContact CB-CD1 4.38Å; V374-F521 HydrophobicContact CB-CE1 4.46Å; V374-F521 HydrophobicContact CG1-CB 4.34Å; V374-F521 HydrophobicContact CG1-CD1 3.52Å; V374-F521 HydrophobicContact CG1-CE1 3.96Å; V374-F521 HydrophobicContact CG1-CG 3.96Å; V374-F521 HydrophobicContact CG2-CD1 3.87Å; V374-F521 HydrophobicContact CG2-CD2 4.08Å; V374-F521 HydrophobicContact CG2-CE1 3.66Å; V374-F521 HydrophobicContact CG2-CE2 3.88Å; V374-F521 HydrophobicContact CG2-CG 4.07Å; V374-F521 HydrophobicContact CG2-CZ 3.66Å
375	D	92.4	Very high	86.2	Confident	89 Å²	89	51.3 Å²	51.3	48%	0.476	26%	0.257	S	S	.	.	H	α-helix	trans	-62.5	-42.4	176.3	-72.7	-18.8	0	0	0	111.3	D371 R378 C379	D371-D375 WeakPolarHBondContact O-CB 3.44Å; D371-D375 VanDerWaalsContact O-CG 3.27Å; D371-D375 PolarHBondContact O-N 3.42Å; D375-R378 PolarHBondContact O-N 3.38Å; D375-R378 IonicContact OD1-NH1 2.76Å; D375-C379 PolarHBondContact O-N 3.02Å; D375-C379 PolarHBondContact O-SG 3.45Å; D375-C379 VanDerWaalsContact O-SG 3.42Å
376	W	93.9	Very high	84.8	Confident	23 Å²	23	58.2 Å²	58.2	9%	0.087	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-42.9	173.7	178.1	84.7	0	0	0	112.7	R372 W373 V374 R378 C379 F391 E394 A395 Y398 R544	R372-W376 WeakPolarHBondContact O-CB 3.16Å; R372-W376 PolarHBondContact O-N 3.38Å; W373-W376 AromaticContact CE3-CE3 3.79Å; W373-W376 HydrophobicContact CE3-CE3 3.79Å; W373-W376 HydrophobicContact CE3-CZ3 4.25Å; W373-W376 AromaticContact CH2-CE3 3.84Å; W373-W376 HydrophobicContact CH2-CE3 3.84Å; W373-W376 HydrophobicContact CH2-CH2 4.36Å; W373-W376 AromaticContact CH2-CZ3 3.43Å; W373-W376 HydrophobicContact CH2-CZ3 3.43Å; W373-W376 VanDerWaalsContact CH2-CZ3 3.43Å; W373-W376 HydrophobicContact CZ2-CZ3 4.36Å; W373-W376 HydrophobicContact CZ3-CD2 4.27Å; W373-W376 AromaticContact CZ3-CE3 3.35Å; W373-W376 HydrophobicContact CZ3-CE3 3.35Å; W373-W376 HydrophobicContact CZ3-CH2 4.29Å; W373-W376 AromaticContact CZ3-CZ3 3.37Å; W373-W376 HydrophobicContact CZ3-CZ3 3.37Å; W373-W376 PolarHBondContact O-N 3.25Å; V374-W376 VanDerWaalsContact C-N 3.34Å; W376-R378 PolarHBondContact O-N 3.3Å; W376-C379 WeakPolarHBondContact O-CB 3.27Å; W376-C379 PolarHBondContact O-N 3.35Å; W376-C379 VanDerWaalsContact O-N 3.12Å; W376-F391 HydrophobicContact CH2-CZ 4.25Å; W376-E394 HydrophobicContact CZ2-CG 3.94Å; W376-A395 HydrophobicContact CH2-CB 3.83Å; W376-A395 HydrophobicContact CZ3-CB 4.22Å; W376-Y398 HydrophobicContact CB-CD1 3.97Å; W376-Y398 HydrophobicContact CB-CD2 4.33Å; W376-Y398 HydrophobicContact CB-CE1 3.42Å; W376-Y398 VanDerWaalsContact CB-CE1 3.42Å; W376-Y398 HydrophobicContact CB-CE2 3.86Å; W376-Y398 HydrophobicContact CB-CG 4.38Å; W376-Y398 AromaticContact CD1-CD2 3.34Å; W376-Y398 AromaticContact CD1-CE2 3.47Å; W376-Y398 VanDerWaalsContact CD1-CE2 3.47Å; W376-Y398 AromaticContact CD1-CG 3.69Å; W376-Y398 AromaticContact CD1-CZ 3.92Å; W376-Y398 AromaticContact CD2-CD1 3.89Å; W376-Y398 HydrophobicContact CD2-CD1 3.89Å; W376-Y398 HydrophobicContact CD2-CD2 4.34Å; W376-Y398 HydrophobicContact CD2-CE1 4.29Å; W376-Y398 AromaticContact CD2-CG 3.9Å; W376-Y398 HydrophobicContact CD2-CG 3.9Å; W376-Y398 AromaticContact CE2-CG 3.97Å; W376-Y398 HydrophobicContact CE3-CD1 4.31Å; W376-Y398 AromaticContact CG-CD1 3.72Å; W376-Y398 HydrophobicContact CG-CD1 3.72Å; W376-Y398 AromaticContact CG-CD2 3.76Å; W376-Y398 HydrophobicContact CG-CD2 3.76Å; W376-Y398 AromaticContact CG-CE1 3.7Å; W376-Y398 HydrophobicContact CG-CE1 3.7Å; W376-Y398 AromaticContact CG-CE2 3.76Å; W376-Y398 HydrophobicContact CG-CE2 3.76Å; W376-Y398 AromaticContact CG-CG 3.73Å; W376-Y398 HydrophobicContact CG-CG 3.73Å; W376-Y398 AromaticContact CG-CZ 3.71Å; W376-Y398 AromaticContact NE1-CD2 3.69Å; W376-Y398 AromaticContact NE1-CG 3.82Å; W376-R544 VanDerWaalsContact CE2-CD 3.49Å; W376-R544 VanDerWaalsContact CZ2-CD 3.5Å; W376-R544 WeakPolarHBondContact O-CD 3.3Å
377	L	92.1	Very high	83.7	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-27.9	176.1	-74.4	171.7	0	0	0	113.1	W373 V374 C379 F516 Y518 R544 L545 M548	W373-L377 HydrophobicContact CD2-CD1 4.21Å; W373-L377 HydrophobicContact CD2-CG 4.31Å; W373-L377 HydrophobicContact CG-CD1 4.32Å; W373-L377 HydrophobicContact CH2-CD2 4.29Å; W373-L377 HydrophobicContact CZ2-CD1 4.08Å; W373-L377 HydrophobicContact CZ2-CD2 3.97Å; W373-L377 HydrophobicContact CZ2-CG 4.17Å; W373-L377 VanDerWaalsContact O-CG 3.31Å; W373-L377 WeakPolarHBondContact O-CG 3.49Å; W373-L377 PolarHBondContact O-N 2.92Å; V374-L377 PolarHBondContact O-N 3.47Å; L377-C379 VanDerWaalsContact C-N 3.33Å; L377-F516 HydrophobicContact CD1-CE1 4.27Å; L377-Y518 HydrophobicContact CD1-CD1 3.96Å; L377-Y518 HydrophobicContact CD1-CE1 3.89Å; L377-Y518 HydrophobicContact CD2-CE1 4.5Å; L377-R544 CarbonylContact O-C 3.4Å; L377-R544 WeakPolarHBondContact O-CB 3.48Å; L377-L545 HydrophobicContact CB-CB 4.22Å; L377-L545 HydrophobicContact CB-CD1 4.18Å; L377-L545 HydrophobicContact CD1-CD1 4.05Å; L377-L545 WeakPolarHBondContact O-CB 3.47Å; L377-L545 PolarHBondContact O-N 3.02Å; L377-M548 HydrophobicContact CD2-CB 3.88Å; L377-M548 HydrophobicContact CD2-CG 4.11Å
378	R	88.5	Confident	83.1	Confident	134 Å²	134	62.8 Å²	62.8	51%	0.506	32%	0.32	S	S	.	.	H	α-helix	trans	-76.6	-21.2	176.8	-75.9	171.2	175	168.4	-1.8	113.3	V374 D375 W376	V374-R378 WeakPolarHBondContact O-CG 3.34Å; V374-R378 PolarHBondContact O-N 2.64Å; D375-R378 PolarHBondContact O-N 3.38Å; D375-R378 IonicContact OD1-NH1 2.76Å; W376-R378 PolarHBondContact O-N 3.3Å
379	C	86.8	Confident	82.7	Confident	64 Å²	64	64.1 Å²	64.1	43%	0.432	33%	0.33	S	S	.	.	S	Bend	trans	-70.3	151.7	175	-66	0	0	0	0	110.9	D375 W376 L377 R544	D375-C379 PolarHBondContact O-N 3.02Å; D375-C379 PolarHBondContact O-SG 3.45Å; D375-C379 VanDerWaalsContact O-SG 3.42Å; W376-C379 WeakPolarHBondContact O-CB 3.27Å; W376-C379 PolarHBondContact O-N 3.35Å; W376-C379 VanDerWaalsContact O-N 3.12Å; L377-C379 VanDerWaalsContact C-N 3.33Å; C379-R544 WeakPolarHBondContact O-CB 3.47Å; C379-R544 VanDerWaalsContact O-CG 3.25Å; C379-R544 WeakPolarHBondContact O-CG 3.46Å; C379-R544 PolarHBondContact O-N 2.81Å
380	D	80	Confident	82.4	Confident	91 Å²	91	69 Å²	69	49%	0.487	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-68.9	145.7	175.5	-77.1	-28.4	0	0	0	112.2	C541 R544	D380-C541 HydrophobicContact CB-CB 4.35Å; D380-C541 WeakPolarHBondContact CB-SG 3.3Å; D380-R544 VanDerWaalsContact O-CZ 3.24Å; D380-R544 PolarHBondContact O-NH1 3.25Å
381	S	72.9	Confident	82.2	Confident	11 Å²	11	69 Å²	69	8%	0.077	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-90.6	130.7	175	-176.4	0	0	0	0	110.7	V383 I547	S381-V383 VanDerWaalsContact C-N 3.32Å; S381-V383 PolarHBondContact OG-N 3.14Å; S381-V383 VanDerWaalsContact OG-N 3.13Å; S381-V383 PolarHBondContact OG-O 3.42Å; S381-I547 VanDerWaalsContact CB-CD1 3.48Å
382	E	70	Confident	82.3	Confident	191 Å²	191	66.5 Å²	66.5	89%	0.893	34%	0.338	S	S	*	.			trans	-81.8	-15.5	167.3	-64.6	-175.7	179.7	0	0	112	P384	E382-P384 WeakPolarHBondContact O-CD 3.31Å
383	V	67.4	Low	82.2	Confident	20 Å²	20	65.1 Å²	65.1	12%	0.121	33%	0.333	C	S	.	.	S	Bend	trans	-75.8	125.7	-177.3	179.8	0	0	0	0	110.3	S381 N385 L387 H390 E394	S381-V383 VanDerWaalsContact C-N 3.32Å; S381-V383 PolarHBondContact OG-N 3.14Å; S381-V383 VanDerWaalsContact OG-N 3.13Å; S381-V383 PolarHBondContact OG-O 3.42Å; V383-N385 PolarHBondContact O-N 2.72Å; V383-L387 HydrophobicContact CG1-CB 3.99Å; V383-H390 HydrophobicContact CG1-CB 4.32Å; V383-E394 VanDerWaalsContact CG2-OE2 3.23Å; V383-E394 WeakPolarHBondContact CG2-OE2 3.44Å
384	P	64.1	Low	82.1	Confident	77 Å²	77	67.1 Å²	67.1	50%	0.5	34%	0.343	S	S	.	.			trans	-55.8	135.3	172.2	-23.6	31.7	0	0	0	111.7	E382 E386 L387	E382-P384 WeakPolarHBondContact O-CD 3.31Å; P384-E386 PolarHBondContact O-N 2.63Å; P384-L387 HydrophobicContact CB-CD1 4.43Å; P384-L387 HydrophobicContact CG-CD1 4.21Å; P384-L387 PolarHBondContact O-N 2.88Å
385	N	61.2	Low	82.2	Confident	95 Å²	95	66.8 Å²	66.8	51%	0.508	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-22.5	179.7	-88.2	-14.8	0	0	0	114.6	V383 L387 I547	V383-N385 PolarHBondContact O-N 2.72Å; N385-L387 VanDerWaalsContact C-N 3.26Å; N385-L387 PolarHBondContact O-N 2.98Å; N385-I547 WeakPolarHBondContact OD1-CD1 3.28Å; N385-I547 WeakPolarHBondContact OD1-CG1 3.35Å
386	E	64.2	Low	82.4	Confident	185 Å²	185	62.5 Å²	62.5	86%	0.864	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-16.3	-179.7	-64.6	170.5	-175	0	0	113.1	P384 S388	P384-E386 PolarHBondContact O-N 2.63Å; E386-S388 PolarHBondContact O-N 3.29Å
387	L	72.2	Confident	82.5	Confident	92 Å²	92	64.3 Å²	64.3	48%	0.482	33%	0.332	S	S	.	.			trans	-101.2	56.4	-176.7	-71.2	161.3	0	0	0	112	V383 P384 N385 T389 H390 F391	V383-L387 HydrophobicContact CG1-CB 3.99Å; P384-L387 HydrophobicContact CB-CD1 4.43Å; P384-L387 HydrophobicContact CG-CD1 4.21Å; P384-L387 PolarHBondContact O-N 2.88Å; N385-L387 VanDerWaalsContact C-N 3.26Å; N385-L387 PolarHBondContact O-N 2.98Å; L387-T389 VanDerWaalsContact C-N 3.29Å; L387-T389 PolarHBondContact O-N 3.03Å; L387-H390 HydrophobicContact CB-CB 3.94Å; L387-H390 WeakPolarHBondContact O-CB 3.46Å; L387-H390 PolarHBondContact O-N 3.25Å; L387-F391 PolarHBondContact O-N 3.42Å
388	S	78.9	Confident	82.7	Confident	51 Å²	51	66.7 Å²	66.7	36%	0.357	34%	0.341	S	S	.	.	H	α-helix	trans	-50.2	-44.8	-177.9	57.6	0	0	0	0	113.7	E386 H390 F391 W392 L551	E386-S388 PolarHBondContact O-N 3.29Å; S388-H390 VanDerWaalsContact C-N 3.35Å; S388-H390 PolarHBondContact O-N 2.96Å; S388-F391 PolarHBondContact O-N 2.96Å; S388-W392 PolarHBondContact O-N 2.97Å; S388-W392 VanDerWaalsContact O-N 3.16Å; S388-L551 VanDerWaalsContact CB-CD2 3.46Å
389	T	86.7	Confident	83.1	Confident	72 Å²	72	60.3 Å²	60.3	44%	0.442	32%	0.317	S	S	.	.	H	α-helix	trans	-61.4	-41.8	177	-54.4	0	0	0	0	111.8	L387 F391 W392 Y393 I454	L387-T389 VanDerWaalsContact C-N 3.29Å; L387-T389 PolarHBondContact O-N 3.03Å; T389-F391 VanDerWaalsContact C-N 3.32Å; T389-F391 PolarHBondContact O-N 3.49Å; T389-W392 PolarHBondContact O-N 2.94Å; T389-Y393 HydrophobicContact CG2-CD2 3.96Å; T389-Y393 HydrophobicContact CG2-CE2 3.85Å; T389-Y393 VanDerWaalsContact O-CD2 3.26Å; T389-Y393 WeakPolarHBondContact O-CD2 3.28Å; T389-Y393 PolarHBondContact O-N 2.94Å; T389-Y393 VanDerWaalsContact O-N 3.16Å; T389-I454 HydrophobicContact CG2-CD1 4.39Å
390	H	88.6	Confident	83.7	Confident	104 Å²	104	57.5 Å²	57.5	48%	0.481	30%	0.297	S	S	.	.	H	α-helix	trans	-63.8	-40.3	-179.5	-173.6	31.2	0	0	0	111.6	V383 L387 S388 Y393 E394	V383-H390 HydrophobicContact CG1-CB 4.32Å; L387-H390 HydrophobicContact CB-CB 3.94Å; L387-H390 WeakPolarHBondContact O-CB 3.46Å; L387-H390 PolarHBondContact O-N 3.25Å; S388-H390 VanDerWaalsContact C-N 3.35Å; S388-H390 PolarHBondContact O-N 2.96Å; H390-Y393 WeakPolarHBondContact O-CB 3.21Å; H390-Y393 PolarHBondContact O-N 3.4Å; H390-E394 PolarHBondContact O-N 2.77Å
391	F	91.1	Very high	84.5	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.018	30%	0.295	C	S	.	.	H	α-helix	trans	-63.9	-40.1	176.6	-171.1	-90.3	0	0	0	112.6	W376 L387 S388 T389 Y393 E394 A395 R544 I547 M548 L551	W376-F391 HydrophobicContact CH2-CZ 4.25Å; L387-F391 PolarHBondContact O-N 3.42Å; S388-F391 PolarHBondContact O-N 2.96Å; T389-F391 VanDerWaalsContact C-N 3.32Å; T389-F391 PolarHBondContact O-N 3.49Å; F391-Y393 VanDerWaalsContact C-N 3.29Å; F391-Y393 PolarHBondContact O-N 3.41Å; F391-E394 PolarHBondContact O-N 3.16Å; F391-A395 WeakPolarHBondContact O-CB 3.46Å; F391-A395 PolarHBondContact O-N 3.27Å; F391-R544 HydrophobicContact CE2-CB 4.16Å; F391-R544 HydrophobicContact CE2-CG 3.9Å; F391-R544 HydrophobicContact CZ-CB 3.92Å; F391-R544 HydrophobicContact CZ-CG 4.16Å; F391-R544 WeakPolarHBondContact CZ-O 3.45Å; F391-I547 HydrophobicContact CD1-CG2 3.8Å; F391-I547 HydrophobicContact CD2-CB 4.48Å; F391-I547 HydrophobicContact CD2-CD1 4.36Å; F391-I547 HydrophobicContact CD2-CG2 3.81Å; F391-I547 HydrophobicContact CE1-CB 4.2Å; F391-I547 HydrophobicContact CE1-CG2 3.81Å; F391-I547 HydrophobicContact CE2-CB 4Å; F391-I547 HydrophobicContact CE2-CD1 4.03Å; F391-I547 HydrophobicContact CE2-CG2 3.82Å; F391-I547 HydrophobicContact CG-CG2 3.78Å; F391-I547 HydrophobicContact CZ-CB 3.85Å; F391-I547 HydrophobicContact CZ-CG2 3.83Å; F391-M548 HydrophobicContact CE1-CB 3.99Å; F391-M548 HydrophobicContact CE1-CE 3.89Å; F391-M548 HydrophobicContact CE1-SD 4.33Å; F391-M548 HydrophobicContact CZ-CB 4.43Å; F391-L551 HydrophobicContact CB-CD1 4.01Å; F391-L551 HydrophobicContact CD1-CD1 3.38Å; F391-L551 HydrophobicContact CE1-CD1 4.16Å; F391-L551 HydrophobicContact CG-CD1 3.97Å
392	W	93.5	Very high	85.7	Confident	10 Å²	10	57.5 Å²	57.5	4%	0.038	30%	0.296	C	S	.	.	H	α-helix	trans	-59	-41.7	173	-74.8	120.8	0	0	0	112.3	S388 T389 A395 L396 L451 I454 L513 M548 L551 T552 V555	S388-W392 PolarHBondContact O-N 2.97Å; S388-W392 VanDerWaalsContact O-N 3.16Å; T389-W392 PolarHBondContact O-N 2.94Å; W392-A395 PolarHBondContact O-N 3.39Å; W392-L396 WeakPolarHBondContact O-CB 3.29Å; W392-L396 VanDerWaalsContact O-CG 3.29Å; W392-L396 WeakPolarHBondContact O-CG 3.46Å; W392-L396 PolarHBondContact O-N 3.19Å; W392-L451 HydrophobicContact CD2-CD1 3.73Å; W392-L451 HydrophobicContact CE3-CD1 3.57Å; W392-L451 HydrophobicContact CG-CD1 4.39Å; W392-L451 HydrophobicContact CH2-CD1 3.95Å; W392-L451 HydrophobicContact CH2-CD2 4.02Å; W392-L451 HydrophobicContact CZ2-CD1 4.11Å; W392-L451 HydrophobicContact CZ3-CD1 3.7Å; W392-L451 HydrophobicContact CZ3-CD2 4.24Å; W392-I454 HydrophobicContact CB-CD1 4.28Å; W392-I454 HydrophobicContact CB-CG2 3.89Å; W392-I454 HydrophobicContact CG-CD1 4.09Å; W392-L513 HydrophobicContact CE3-CD1 4.33Å; W392-L513 HydrophobicContact CZ3-CB 4.26Å; W392-L513 HydrophobicContact CZ3-CD1 4.12Å; W392-M548 HydrophobicContact CE3-CE 4.43Å; W392-M548 HydrophobicContact CE3-SD 4.22Å; W392-M548 HydrophobicContact CH2-SD 4.01Å; W392-M548 HydrophobicContact CZ3-CE 4.19Å; W392-M548 HydrophobicContact CZ3-SD 3.53Å; W392-M548 VanDerWaalsContact CZ3-SD 3.53Å; W392-L551 HydrophobicContact CH2-CB 4.22Å; W392-L551 HydrophobicContact CZ2-CB 3.58Å; W392-T552 HydrophobicContact CH2-CG2 3.59Å; W392-T552 HydrophobicContact CZ3-CG2 4.31Å; W392-V555 HydrophobicContact CZ2-CG2 4.19Å
393	Y	94.2	Very high	87	Confident	45 Å²	45	48.4 Å²	48.4	18%	0.176	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-43.8	174.7	-87.4	-77.2	0	0	0	112.3	T389 H390 F391 A395 L396 T397 I454 D457 F458	T389-Y393 HydrophobicContact CG2-CD2 3.96Å; T389-Y393 HydrophobicContact CG2-CE2 3.85Å; T389-Y393 VanDerWaalsContact O-CD2 3.26Å; T389-Y393 WeakPolarHBondContact O-CD2 3.28Å; T389-Y393 PolarHBondContact O-N 2.94Å; T389-Y393 VanDerWaalsContact O-N 3.16Å; H390-Y393 WeakPolarHBondContact O-CB 3.21Å; H390-Y393 PolarHBondContact O-N 3.4Å; F391-Y393 VanDerWaalsContact C-N 3.29Å; F391-Y393 PolarHBondContact O-N 3.41Å; Y393-A395 VanDerWaalsContact C-N 3.35Å; Y393-A395 PolarHBondContact O-N 2.85Å; Y393-L396 PolarHBondContact O-N 3.18Å; Y393-T397 WeakPolarHBondContact O-CB 3.49Å; Y393-T397 PolarHBondContact O-N 3.46Å; Y393-T397 PolarHBondContact O-OG1 3.41Å; Y393-I454 HydrophobicContact CD2-CG2 4.42Å; Y393-I454 HydrophobicContact CE2-CG2 4.04Å; Y393-D457 WeakPolarHBondContact OH-CB 3.35Å; Y393-D457 PolarHBondContact OH-OD2 2.95Å; Y393-F458 AromaticContact CD1-CD2 3.79Å; Y393-F458 HydrophobicContact CD1-CD2 3.79Å; Y393-F458 HydrophobicContact CE1-CB 3.97Å; Y393-F458 AromaticContact CE1-CD2 3.91Å; Y393-F458 HydrophobicContact CE1-CD2 3.91Å; Y393-F458 HydrophobicContact CE1-CG 4.47Å
394	E	92.7	Very high	88.3	Confident	43 Å²	43	50.5 Å²	50.5	20%	0.201	26%	0.264	C	S	.	.	H	α-helix	trans	-58.6	-47.3	176.1	-167.1	-167.2	154	0	0	111.3	W376 V383 H390 F391 T397 Y398 R544	W376-E394 HydrophobicContact CZ2-CG 3.94Å; V383-E394 VanDerWaalsContact CG2-OE2 3.23Å; V383-E394 WeakPolarHBondContact CG2-OE2 3.44Å; H390-E394 PolarHBondContact O-N 2.77Å; F391-E394 PolarHBondContact O-N 3.16Å; E394-T397 PolarHBondContact O-N 3Å; E394-Y398 PolarHBondContact O-N 3.22Å; E394-R544 IonicContact OE1-CZ 3.85Å; E394-R544 VanDerWaalsContact OE1-CZ 3.29Å; E394-R544 IonicContact OE1-NE 3.02Å; E394-R544 PolarHBondContact OE1-NE 3.42Å; E394-R544 IonicContact OE1-NH2 2.71Å; E394-R544 PolarHBondContact OE1-NH2 2.97Å
395	A	94.8	Very high	89.8	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.9	-47.6	177.1	0	0	0	0	0	112.9	W373 W376 F391 W392 Y393 Y398 L399 M548	W373-A395 HydrophobicContact CH2-CB 3.93Å; W373-A395 HydrophobicContact CZ3-CB 4.49Å; W376-A395 HydrophobicContact CH2-CB 3.83Å; W376-A395 HydrophobicContact CZ3-CB 4.22Å; F391-A395 WeakPolarHBondContact O-CB 3.46Å; F391-A395 PolarHBondContact O-N 3.27Å; W392-A395 PolarHBondContact O-N 3.39Å; Y393-A395 VanDerWaalsContact C-N 3.35Å; Y393-A395 PolarHBondContact O-N 2.85Å; A395-Y398 PolarHBondContact O-N 3.47Å; A395-L399 WeakPolarHBondContact O-CB 3.17Å; A395-L399 PolarHBondContact O-N 2.97Å; A395-M548 HydrophobicContact CB-CE 3.35Å
396	L	97	Very high	91.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-45.9	177.3	-73.5	168	0	0	0	111	W392 Y393 Y398 L399 F400 I454 V455 F458 T509 L513	W392-L396 WeakPolarHBondContact O-CB 3.29Å; W392-L396 VanDerWaalsContact O-CG 3.29Å; W392-L396 WeakPolarHBondContact O-CG 3.46Å; W392-L396 PolarHBondContact O-N 3.19Å; Y393-L396 PolarHBondContact O-N 3.18Å; L396-Y398 VanDerWaalsContact C-N 3.34Å; L396-Y398 PolarHBondContact O-N 3.32Å; L396-L399 PolarHBondContact O-N 3.27Å; L396-F400 HydrophobicContact CD2-CD2 4.45Å; L396-F400 HydrophobicContact CD2-CE2 4.05Å; L396-F400 WeakPolarHBondContact O-CB 3.35Å; L396-F400 VanDerWaalsContact O-CD2 3.28Å; L396-F400 WeakPolarHBondContact O-CD2 3.31Å; L396-F400 PolarHBondContact O-N 3.28Å; L396-I454 HydrophobicContact CD1-CG2 4.04Å; L396-V455 HydrophobicContact CD1-CG2 4.19Å; L396-V455 HydrophobicContact CD2-CG2 4.2Å; L396-F458 HydrophobicContact CB-CD1 4.1Å; L396-F458 HydrophobicContact CB-CD2 3.78Å; L396-F458 HydrophobicContact CB-CE1 4Å; L396-F458 HydrophobicContact CB-CE2 3.68Å; L396-F458 HydrophobicContact CB-CG 3.99Å; L396-F458 HydrophobicContact CB-CZ 3.8Å; L396-F458 HydrophobicContact CD1-CB 3.86Å; L396-F458 HydrophobicContact CD1-CD1 4.33Å; L396-F458 HydrophobicContact CD1-CD2 4.19Å; L396-F458 HydrophobicContact CD1-CG 3.88Å; L396-F458 HydrophobicContact CG-CG 4.47Å; L396-T509 HydrophobicContact CD2-CG2 3.6Å; L396-L513 HydrophobicContact CD2-CD1 3.8Å; L396-L513 HydrophobicContact CG-CD1 4.37Å
397	T	96.3	Very high	92.9	Very high	61 Å²	61	44.9 Å²	44.9	37%	0.374	22%	0.224	S	C	.	.	H	α-helix	trans	-57.2	-47.5	176.4	-68.1	0	0	0	0	111.2	Y393 E394 N401	Y393-T397 WeakPolarHBondContact O-CB 3.49Å; Y393-T397 PolarHBondContact O-N 3.46Å; Y393-T397 PolarHBondContact O-OG1 3.41Å; E394-T397 PolarHBondContact O-N 3Å; T397-N401 VanDerWaalsContact O-CB 3.31Å; T397-N401 WeakPolarHBondContact O-CB 2.97Å; T397-N401 PolarHBondContact O-N 3.32Å; T397-N401 PolarHBondContact O-ND2 2.93Å; T397-N401 PolarHBondContact O-OD1 3.47Å
398	Y	96.4	Very high	93.9	Very high	50 Å²	50	40.5 Å²	40.5	20%	0.196	20%	0.201	C	C	.	.	H	α-helix	trans	-60.9	-52.5	177.6	-178.5	-93.4	0	0	0	111.7	R372 W373 W376 E394 A395 L396 F400 N401 E402	R372-Y398 PolarHBondContact O-OH 3.25Å; W373-Y398 AromaticContact CE3-CD1 3.69Å; W373-Y398 HydrophobicContact CE3-CD1 3.69Å; W373-Y398 HydrophobicContact CE3-CE1 4.05Å; W373-Y398 AromaticContact CZ3-CD1 3.93Å; W373-Y398 HydrophobicContact CZ3-CD1 3.93Å; W376-Y398 HydrophobicContact CB-CD1 3.97Å; W376-Y398 HydrophobicContact CB-CD2 4.33Å; W376-Y398 HydrophobicContact CB-CE1 3.42Å; W376-Y398 VanDerWaalsContact CB-CE1 3.42Å; W376-Y398 HydrophobicContact CB-CE2 3.86Å; W376-Y398 HydrophobicContact CB-CG 4.38Å; W376-Y398 AromaticContact CD1-CD2 3.34Å; W376-Y398 AromaticContact CD1-CE2 3.47Å; W376-Y398 VanDerWaalsContact CD1-CE2 3.47Å; W376-Y398 AromaticContact CD1-CG 3.69Å; W376-Y398 AromaticContact CD1-CZ 3.92Å; W376-Y398 AromaticContact CD2-CD1 3.89Å; W376-Y398 HydrophobicContact CD2-CD1 3.89Å; W376-Y398 HydrophobicContact CD2-CD2 4.34Å; W376-Y398 HydrophobicContact CD2-CE1 4.29Å; W376-Y398 AromaticContact CD2-CG 3.9Å; W376-Y398 HydrophobicContact CD2-CG 3.9Å; W376-Y398 AromaticContact CE2-CG 3.97Å; W376-Y398 HydrophobicContact CE3-CD1 4.31Å; W376-Y398 AromaticContact CG-CD1 3.72Å; W376-Y398 HydrophobicContact CG-CD1 3.72Å; W376-Y398 AromaticContact CG-CD2 3.76Å; W376-Y398 HydrophobicContact CG-CD2 3.76Å; W376-Y398 AromaticContact CG-CE1 3.7Å; W376-Y398 HydrophobicContact CG-CE1 3.7Å; W376-Y398 AromaticContact CG-CE2 3.76Å; W376-Y398 HydrophobicContact CG-CE2 3.76Å; W376-Y398 AromaticContact CG-CG 3.73Å; W376-Y398 HydrophobicContact CG-CG 3.73Å; W376-Y398 AromaticContact CG-CZ 3.71Å; W376-Y398 AromaticContact NE1-CD2 3.69Å; W376-Y398 AromaticContact NE1-CG 3.82Å; E394-Y398 PolarHBondContact O-N 3.22Å; A395-Y398 PolarHBondContact O-N 3.47Å; L396-Y398 VanDerWaalsContact C-N 3.34Å; L396-Y398 PolarHBondContact O-N 3.32Å; Y398-F400 VanDerWaalsContact C-N 3.3Å; Y398-F400 PolarHBondContact O-N 2.91Å; Y398-N401 PolarHBondContact O-N 3.01Å; Y398-E402 HydrophobicContact CD1-CG 4.26Å; Y398-E402 HydrophobicContact CE1-CG 3.8Å; Y398-E402 HydrophobicContact CE2-CG 4.2Å; Y398-E402 WeakPolarHBondContact O-CG 3.48Å; Y398-E402 PolarHBondContact O-N 2.91Å
399	L	97.2	Very high	94.4	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-56.3	-44.7	-178.3	-177.8	64.4	0	0	0	111.7	L369 W373 A395 L396 E402 I403 F512 L513	L369-L399 HydrophobicContact CD1-CD1 4.18Å; L369-L399 HydrophobicContact CD2-CD1 4.45Å; L369-L399 HydrophobicContact CG-CD1 4.45Å; W373-L399 HydrophobicContact CZ3-CB 4.45Å; A395-L399 WeakPolarHBondContact O-CB 3.17Å; A395-L399 PolarHBondContact O-N 2.97Å; L396-L399 PolarHBondContact O-N 3.27Å; L399-E402 PolarHBondContact O-N 2.7Å; L399-I403 HydrophobicContact CD1-CD1 4.39Å; L399-I403 HydrophobicContact CG-CD1 4.05Å; L399-I403 VanDerWaalsContact O-CG1 3.28Å; L399-I403 WeakPolarHBondContact O-CG1 3.32Å; L399-I403 PolarHBondContact O-N 2.96Å; L399-F512 HydrophobicContact CD1-CE1 4.14Å; L399-F512 HydrophobicContact CD2-CD1 4.05Å; L399-F512 HydrophobicContact CD2-CE1 4.03Å; L399-L513 HydrophobicContact CD2-CD2 4.49Å
400	F	97.4	Very high	94.5	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-79.1	-25.6	-177.3	-79.7	-77.3	0	0	0	114.5	L396 Y398 E402 I403 D404 F458 M462 Y466 L470 F476 F505 T509	L396-F400 HydrophobicContact CD2-CD2 4.45Å; L396-F400 HydrophobicContact CD2-CE2 4.05Å; L396-F400 WeakPolarHBondContact O-CB 3.35Å; L396-F400 VanDerWaalsContact O-CD2 3.28Å; L396-F400 WeakPolarHBondContact O-CD2 3.31Å; L396-F400 PolarHBondContact O-N 3.28Å; Y398-F400 VanDerWaalsContact C-N 3.3Å; Y398-F400 PolarHBondContact O-N 2.91Å; F400-E402 VanDerWaalsContact C-N 3.35Å; F400-I403 HydrophobicContact CD1-CD1 4.02Å; F400-I403 HydrophobicContact CE1-CD1 3.99Å; F400-D404 WeakPolarHBondContact O-CB 3.44Å; F400-D404 PolarHBondContact O-N 3.26Å; F400-F458 HydrophobicContact CB-CE1 4.27Å; F400-F458 HydrophobicContact CB-CZ 4.28Å; F400-F458 HydrophobicContact CD2-CD1 4.35Å; F400-F458 AromaticContact CD2-CE1 3.44Å; F400-F458 HydrophobicContact CD2-CE1 3.44Å; F400-F458 VanDerWaalsContact CD2-CE1 3.44Å; F400-F458 HydrophobicContact CD2-CZ 4.03Å; F400-F458 HydrophobicContact CE2-CE1 4.03Å; F400-F458 AromaticContact CG-CE1 3.97Å; F400-F458 HydrophobicContact CG-CE1 3.97Å; F400-F458 HydrophobicContact CG-CZ 4.43Å; F400-M462 HydrophobicContact CB-CE 4.33Å; F400-M462 HydrophobicContact CD1-CE 3.94Å; F400-M462 HydrophobicContact CD2-CE 4.4Å; F400-M462 HydrophobicContact CE1-CE 4.39Å; F400-M462 HydrophobicContact CG-CE 3.95Å; F400-Y466 PolarHBondContact O-OH 3.4Å; F400-L470 HydrophobicContact CD1-CD1 4.11Å; F400-L470 HydrophobicContact CE1-CD1 4.15Å; F400-F476 AromaticContact CE1-CE2 3.64Å; F400-F476 HydrophobicContact CE1-CE2 3.64Å; F400-F476 AromaticContact CE1-CZ 3.97Å; F400-F476 HydrophobicContact CE1-CZ 3.97Å; F400-F476 HydrophobicContact CZ-CE2 4.1Å; F400-F476 AromaticContact CZ-CZ 3.95Å; F400-F476 HydrophobicContact CZ-CZ 3.95Å; F400-F505 HydrophobicContact CD1-CE2 4.19Å; F400-F505 HydrophobicContact CD1-CZ 4.48Å; F400-F505 HydrophobicContact CE1-CD2 4.27Å; F400-F505 AromaticContact CE1-CE2 3.24Å; F400-F505 HydrophobicContact CE1-CE2 3.24Å; F400-F505 AromaticContact CE1-CZ 3.66Å; F400-F505 HydrophobicContact CE1-CZ 3.66Å; F400-F505 HydrophobicContact CE2-CE2 4.18Å; F400-F505 AromaticContact CE2-CZ 3.72Å; F400-F505 HydrophobicContact CE2-CZ 3.72Å; F400-F505 HydrophobicContact CZ-CD2 4.25Å; F400-F505 HydrophobicContact CZ-CE1 4.24Å; F400-F505 AromaticContact CZ-CE2 3.24Å; F400-F505 HydrophobicContact CZ-CE2 3.24Å; F400-F505 AromaticContact CZ-CZ 3.21Å; F400-F505 HydrophobicContact CZ-CZ 3.21Å; F400-T509 HydrophobicContact CE2-CG2 3.81Å; F400-T509 HydrophobicContact CZ-CG2 4.04Å
401	N	97.3	Very high	94.7	Very high	85 Å²	85	32.6 Å²	32.6	46%	0.455	16%	0.159	S	C	.	.	H	α-helix	trans	-65.7	-40.8	167.9	-72.2	-13.2	0	0	0	110.9	T397 Y398 D404 Q405	T397-N401 VanDerWaalsContact O-CB 3.31Å; T397-N401 WeakPolarHBondContact O-CB 2.97Å; T397-N401 PolarHBondContact O-N 3.32Å; T397-N401 PolarHBondContact O-ND2 2.93Å; T397-N401 PolarHBondContact O-OD1 3.47Å; Y398-N401 PolarHBondContact O-N 3.01Å; N401-D404 PolarHBondContact O-N 2.77Å; N401-Q405 WeakPolarHBondContact O-CG 3.44Å; N401-Q405 PolarHBondContact O-N 3.16Å; N401-Q405 VanDerWaalsContact O-N 3.09Å
402	E	97.8	Very high	94.7	Very high	18 Å²	18	32.5 Å²	32.5	8%	0.084	16%	0.158	C	C	.	.	H	α-helix	trans	-69.3	-39	176.2	-68.8	-55	128.9	0	0	112.3	L369 R372 Y398 L399 F400 D404 Q405 L406	L369-E402 HydrophobicContact CD1-CB 3.48Å; L369-E402 VanDerWaalsContact CD1-CB 3.48Å; R372-E402 WeakPolarHBondContact CD-OE2 3.45Å; R372-E402 IonicContact CZ-OE2 3.29Å; R372-E402 IonicContact NE-OE2 3.92Å; R372-E402 IonicContact NH1-OE2 2.81Å; R372-E402 PolarHBondContact NH1-OE2 3.25Å; Y398-E402 HydrophobicContact CD1-CG 4.26Å; Y398-E402 HydrophobicContact CE1-CG 3.8Å; Y398-E402 HydrophobicContact CE2-CG 4.2Å; Y398-E402 WeakPolarHBondContact O-CG 3.48Å; Y398-E402 PolarHBondContact O-N 2.91Å; L399-E402 PolarHBondContact O-N 2.7Å; F400-E402 VanDerWaalsContact C-N 3.35Å; E402-D404 VanDerWaalsContact C-N 3.31Å; E402-D404 PolarHBondContact O-N 3.02Å; E402-Q405 PolarHBondContact O-N 3.05Å; E402-Q405 PolarHBondContact OE1-NE2 3.07Å; E402-Q405 VanDerWaalsContact OE1-NE2 3.16Å; E402-L406 WeakPolarHBondContact O-CB 3.46Å; E402-L406 WeakPolarHBondContact O-CG 3.42Å; E402-L406 PolarHBondContact O-N 3.38Å
403	I	97	Very high	94.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.1	-39.2	172.3	-69.7	168.7	0	0	0	111	L369 L399 F400 Q405 R407 P408 F411 L470 T475	L369-I403 HydrophobicContact CD1-CG1 4.26Å; L369-I403 HydrophobicContact CD2-CD1 4.38Å; L369-I403 HydrophobicContact CD2-CG1 3.74Å; L399-I403 HydrophobicContact CD1-CD1 4.39Å; L399-I403 HydrophobicContact CG-CD1 4.05Å; L399-I403 VanDerWaalsContact O-CG1 3.28Å; L399-I403 WeakPolarHBondContact O-CG1 3.32Å; L399-I403 PolarHBondContact O-N 2.96Å; F400-I403 HydrophobicContact CD1-CD1 4.02Å; F400-I403 HydrophobicContact CE1-CD1 3.99Å; I403-Q405 VanDerWaalsContact C-N 3.35Å; I403-R407 WeakPolarHBondContact O-CA 3.34Å; I403-R407 PolarHBondContact O-N 3.09Å; I403-P408 HydrophobicContact CG2-CG 4.33Å; I403-P408 WeakPolarHBondContact O-CD 3.11Å; I403-F411 HydrophobicContact CD1-CE2 4.1Å; I403-L470 HydrophobicContact CG2-CD2 3.78Å; I403-T475 HydrophobicContact CG2-CG2 4.41Å; I403-T475 WeakPolarHBondContact CG2-OG1 3.42Å
404	D	95.7	Very high	94	Very high	63 Å²	63	31.1 Å²	31.1	34%	0.337	16%	0.155	S	C	.	.	H	α-helix	trans	-65.6	-39	178.2	-174	36.7	0	0	0	111.6	F400 N401 E402 R407 Y466	F400-D404 WeakPolarHBondContact O-CB 3.44Å; F400-D404 PolarHBondContact O-N 3.26Å; N401-D404 PolarHBondContact O-N 2.77Å; E402-D404 VanDerWaalsContact C-N 3.31Å; E402-D404 PolarHBondContact O-N 3.02Å; D404-R407 WeakPolarHBondContact O-CD 3.24Å; D404-R407 VanDerWaalsContact O-CG 3.25Å; D404-R407 WeakPolarHBondContact O-CG 3.37Å; D404-R407 PolarHBondContact O-NE 2.72Å; D404-R407 IonicContact OD1-CZ 2.93Å; D404-R407 IonicContact OD1-NE 3.99Å; D404-R407 PolarHBondContact OD1-NE 2.63Å; D404-R407 IonicContact OD1-NH2 2.68Å; D404-R407 PolarHBondContact OD1-NH2 3.11Å; D404-Y466 WeakPolarHBondContact CA-OH 3.45Å; D404-Y466 HydrophobicContact CB-CE1 4.41Å; D404-Y466 HydrophobicContact CB-CE2 3.8Å; D404-Y466 WeakPolarHBondContact CB-OH 3.42Å; D404-Y466 PolarHBondContact N-OH 3.35Å; D404-Y466 VanDerWaalsContact N-OH 3.08Å; D404-Y466 WeakPolarHBondContact OD1-CE2 3.28Å
405	Q	96.2	Very high	93.3	Very high	119 Å²	119	29.8 Å²	29.8	56%	0.556	15%	0.15	S	C	*	.	H	α-helix	trans	-70.2	-46.4	176.6	-70.7	173.8	45.4	0	0	112.5	N401 E402 I403	N401-Q405 WeakPolarHBondContact O-CG 3.44Å; N401-Q405 PolarHBondContact O-N 3.16Å; N401-Q405 VanDerWaalsContact O-N 3.09Å; E402-Q405 PolarHBondContact O-N 3.05Å; E402-Q405 PolarHBondContact OE1-NE2 3.07Å; E402-Q405 VanDerWaalsContact OE1-NE2 3.16Å; I403-Q405 VanDerWaalsContact C-N 3.35Å
406	L	95.8	Very high	92	Very high	20 Å²	20	33.7 Å²	33.7	11%	0.105	17%	0.168	C	C	.	.	H	α-helix	trans	-81.5	-25.6	-172.5	-65.6	176.7	0	0	0	112.8	K365 L368 L369 E402	K365-L406 HydrophobicContact CB-CB 4.49Å; K365-L406 WeakPolarHBondContact CD-O 3.38Å; K365-L406 WeakPolarHBondContact CE-O 3.44Å; K365-L406 PolarHBondContact NZ-O 3.03Å; L368-L406 HydrophobicContact CD2-CD2 3.65Å; L368-L406 HydrophobicContact CG-CD1 4.38Å; L368-L406 HydrophobicContact CG-CD2 4.21Å; L369-L406 HydrophobicContact CB-CD1 3.77Å; L369-L406 HydrophobicContact CD1-CD1 4.18Å; E402-L406 WeakPolarHBondContact O-CB 3.46Å; E402-L406 WeakPolarHBondContact O-CG 3.42Å; E402-L406 PolarHBondContact O-N 3.38Å
407	R	94	Very high	90.1	Very high	101 Å²	101	35.4 Å²	35.4	38%	0.381	18%	0.179	S	C	.	.			trans	45.7	58.4	-176.6	-59.5	-66.7	-176.1	117.2	-4.6	112.9	K365 I403 D404 W469	K365-R407 PolarHBondContact NZ-O 3.14Å; K365-R407 VanDerWaalsContact NZ-O 3.15Å; I403-R407 WeakPolarHBondContact O-CA 3.34Å; I403-R407 PolarHBondContact O-N 3.09Å; D404-R407 WeakPolarHBondContact O-CD 3.24Å; D404-R407 VanDerWaalsContact O-CG 3.25Å; D404-R407 WeakPolarHBondContact O-CG 3.37Å; D404-R407 PolarHBondContact O-NE 2.72Å; D404-R407 IonicContact OD1-CZ 2.93Å; D404-R407 IonicContact OD1-NE 3.99Å; D404-R407 PolarHBondContact OD1-NE 2.63Å; D404-R407 IonicContact OD1-NH2 2.68Å; D404-R407 PolarHBondContact OD1-NH2 3.11Å; R407-W469 HydrophobicContact CB-CH2 4.04Å; R407-W469 HydrophobicContact CB-CZ2 3.93Å; R407-W469 HydrophobicContact CG-CH2 4.27Å; R407-W469 HydrophobicContact CG-CZ2 4.23Å
408	P	93.8	Very high	88	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.			trans	-70.4	136.4	172.5	30.8	-33	0	0	0	110.2	T362 K365 L366 I403 S410 T475	T362-P408 HydrophobicContact CG2-CB 4.05Å; K365-P408 HydrophobicContact CB-CB 4.13Å; L366-P408 HydrophobicContact CD2-CB 4.14Å; L366-P408 HydrophobicContact CD2-CG 4.49Å; L366-P408 HydrophobicContact CG-CB 4.44Å; I403-P408 HydrophobicContact CG2-CG 4.33Å; I403-P408 WeakPolarHBondContact O-CD 3.11Å; P408-S410 PolarHBondContact O-N 3.17Å; P408-T475 HydrophobicContact CG-CG2 4.2Å; P408-T475 WeakPolarHBondContact O-CA 3.35Å; P408-T475 WeakPolarHBondContact O-CB 3.47Å; P408-T475 PolarHBondContact O-N 3.41Å; P408-T475 PolarHBondContact O-OG1 2.97Å
409	T	89	Confident	85.5	Confident	37 Å²	37	35.2 Å²	35.2	23%	0.227	18%	0.182	C	C	.	.	S	Bend	trans	-87	9.5	-177.9	66.1	0	0	0	0	113.8	R160 T362 R477	R160-T409 PolarHBondContact NH1-OG1 3.44Å; T362-T409 PolarHBondContact OG1-N 3.14Å; T362-T409 PolarHBondContact OG1-OG1 2.98Å; T409-R477 PolarHBondContact O-NE 3.48Å
410	S	89.6	Confident	82.8	Confident	22 Å²	22	36.7 Å²	36.7	15%	0.154	19%	0.191	C	C	.	.	S	Bend	trans	-157.8	159.5	-179.2	-171.2	0	0	0	0	107.7	P408 T475	P408-S410 PolarHBondContact O-N 3.17Å; S410-T475 CarbonylContact C-O 3.5Å
411	F	91.7	Very high	80	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.009	21%	0.209	C	C	.	.			trans	-108.4	178.3	178.7	-160.3	-126.2	0	0	0	111.5	S343 I403 T475 F476 L508 F512	S343-F411 WeakPolarHBondContact CB-O 3.23Å; S343-F411 PolarHBondContact OG-O 2.71Å; I403-F411 HydrophobicContact CD1-CE2 4.1Å; F411-T475 HydrophobicContact CB-CG2 3.82Å; F411-T475 HydrophobicContact CD2-CG2 3.6Å; F411-T475 HydrophobicContact CG-CG2 4.09Å; F411-T475 PolarHBondContact N-O 2.85Å; F411-F476 AromaticContact CD1-CE1 3.89Å; F411-F476 HydrophobicContact CD1-CE1 3.89Å; F411-F476 HydrophobicContact CD1-CZ 4.29Å; F411-F476 HydrophobicContact CD2-CE1 4.33Å; F411-F476 AromaticContact CD2-CZ 3.97Å; F411-F476 HydrophobicContact CD2-CZ 3.97Å; F411-F476 HydrophobicContact CE1-CE1 4.1Å; F411-F476 HydrophobicContact CE1-CZ 4.32Å; F411-F476 HydrophobicContact CE2-CZ 4.03Å; F411-F476 AromaticContact CG-CE1 4Å; F411-F476 HydrophobicContact CG-CE1 4Å; F411-F476 HydrophobicContact CG-CZ 4.11Å; F411-F476 HydrophobicContact CZ-CE1 4.44Å; F411-F476 HydrophobicContact CZ-CZ 4.2Å; F411-L508 HydrophobicContact CD1-CB 4.02Å; F411-L508 HydrophobicContact CE1-CB 4.33Å; F411-L508 WeakPolarHBondContact CE1-O 3.23Å; F411-F512 HydrophobicContact CE1-CB 3.52Å; F411-F512 HydrophobicContact CE1-CD2 4.31Å; F411-F512 AromaticContact CE1-CG 3.91Å; F411-F512 HydrophobicContact CE1-CG 3.91Å; F411-F512 HydrophobicContact CZ-CB 3.73Å; F411-F512 AromaticContact CZ-CD1 3.93Å; F411-F512 HydrophobicContact CZ-CD1 3.93Å; F411-F512 HydrophobicContact CZ-CD2 4.12Å; F411-F512 AromaticContact CZ-CG 3.65Å; F411-F512 HydrophobicContact CZ-CG 3.65Å
412	F	90.6	Very high	77	Confident	1 Å²	1	39.5 Å²	39.5	0%	0.004	21%	0.21	C	C	.	.	S	Bend	trans	-64.9	-43.7	179.1	-67.5	-80.9	0	0	0	112.6	S343 A346 L366 L369 V370 F512	S343-F412 PolarHBondContact N-O 2.79Å; A346-F412 HydrophobicContact CB-CD1 4.14Å; A346-F412 WeakPolarHBondContact CB-O 3.39Å; L366-F412 HydrophobicContact CB-CE1 3.92Å; L366-F412 HydrophobicContact CB-CZ 4.03Å; L366-F412 HydrophobicContact CD2-CD2 4.23Å; L366-F412 HydrophobicContact CD2-CE1 4.2Å; L366-F412 HydrophobicContact CD2-CE2 3.86Å; L366-F412 HydrophobicContact CD2-CZ 3.82Å; L366-F412 HydrophobicContact CG-CZ 4.49Å; L366-F412 WeakPolarHBondContact O-CZ 3.38Å; L369-F412 HydrophobicContact CD2-CE2 3.87Å; L369-F412 HydrophobicContact CD2-CZ 4.35Å; L369-F412 HydrophobicContact CG-CE2 4.41Å; V370-F412 HydrophobicContact CG2-CD1 4.44Å; V370-F412 HydrophobicContact CG2-CE1 3.33Å; V370-F412 HydrophobicContact CG2-CE2 4.27Å; V370-F412 HydrophobicContact CG2-CZ 3.23Å; F412-F512 HydrophobicContact CB-CD2 3.97Å; F412-F512 HydrophobicContact CB-CE2 4.18Å; F412-F512 HydrophobicContact CD1-CE2 4.47Å; F412-F512 AromaticContact CD2-CD2 3.64Å; F412-F512 HydrophobicContact CD2-CD2 3.64Å; F412-F512 AromaticContact CD2-CE2 3.24Å; F412-F512 HydrophobicContact CD2-CE2 3.24Å; F412-F512 AromaticContact CD2-CZ 3.94Å; F412-F512 HydrophobicContact CD2-CZ 3.94Å; F412-F512 HydrophobicContact CE2-CD2 4.45Å; F412-F512 AromaticContact CE2-CE2 3.67Å; F412-F512 HydrophobicContact CE2-CE2 3.67Å; F412-F512 AromaticContact CE2-CZ 3.94Å; F412-F512 HydrophobicContact CE2-CZ 3.94Å; F412-F512 AromaticContact CG-CD2 3.99Å; F412-F512 HydrophobicContact CG-CD2 3.99Å; F412-F512 AromaticContact CG-CE2 3.7Å; F412-F512 HydrophobicContact CG-CE2 3.7Å; F412-F512 HydrophobicContact CZ-CE2 4.45Å
413	F	90.1	Very high	74.1	Confident	1 Å²	1	42.2 Å²	42.2	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	150.3	-180	-53.7	-32.3	0	0	0	111.1	G341 I342 L508 F512 A515 L568 L572	G341-F413 CarbonylContact O-C 3.55Å; G341-F413 WeakPolarHBondContact O-CA 3.19Å; I342-F413 HydrophobicContact CD1-CD1 3.65Å; I342-F413 HydrophobicContact CD1-CE1 3.51Å; F413-L508 HydrophobicContact CB-CD2 3.92Å; F413-L508 WeakPolarHBondContact O-CD2 3.25Å; F413-F512 HydrophobicContact CD2-CB 4.26Å; F413-F512 HydrophobicContact CE2-CB 4.22Å; F413-F512 HydrophobicContact CE2-CD2 4.48Å; F413-A515 HydrophobicContact CE2-CB 3.96Å; F413-A515 HydrophobicContact CZ-CB 4.12Å; F413-L568 HydrophobicContact CD1-CD2 4.12Å; F413-L568 HydrophobicContact CD2-CD1 4.12Å; F413-L568 HydrophobicContact CE1-CB 4.49Å; F413-L568 HydrophobicContact CE1-CD2 4.24Å; F413-L568 HydrophobicContact CE2-CB 4.45Å; F413-L568 HydrophobicContact CE2-CD1 4.09Å; F413-L568 HydrophobicContact CG-CD2 4.39Å; F413-L568 HydrophobicContact CZ-CB 4.15Å; F413-L572 HydrophobicContact CE1-CB 4.31Å; F413-L572 HydrophobicContact CE1-CD2 3.98Å; F413-L572 HydrophobicContact CZ-CD2 3.88Å
414	V	83.7	Confident	71.1	Confident	25 Å²	25	48.8 Å²	48.8	15%	0.152	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	162.3	169.4	-68.9	0	0	0	0	109.2	F340 G341	F340-V414 CarbonylContact C-O 3.55Å; F340-V414 VanDerWaalsContact CA-O 3.27Å; F340-V414 WeakPolarHBondContact CA-O 3.43Å; G341-V414 PolarHBondContact N-O 3.16Å; G341-V414 PolarHBondContact O-N 3.4Å
415	I	77.9	Confident	68.4	Low	16 Å²	16	51.8 Å²	51.8	8%	0.082	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.3	172.8	-49	-179.4	0	0	0	107.4	L339 F340 L498 R504 L507 L508	L339-I415 HydrophobicContact CD1-CG2 3.53Å; L339-I415 HydrophobicContact CG-CG2 4.13Å; L339-I415 CarbonylContact O-C 3.53Å; L339-I415 WeakPolarHBondContact O-CA 3.45Å; L339-I415 WeakPolarHBondContact O-CG2 3.26Å; F340-I415 HydrophobicContact CD1-CG1 4.08Å; F340-I415 HydrophobicContact CE1-CD1 4.4Å; F340-I415 HydrophobicContact CE1-CG1 4Å; I415-L498 HydrophobicContact CB-CD1 4.45Å; I415-L498 HydrophobicContact CD1-CD2 3.93Å; I415-L498 HydrophobicContact CG2-CD1 3.55Å; I415-L498 HydrophobicContact CG2-CD2 3.82Å; I415-L498 HydrophobicContact CG2-CG 4.32Å; I415-R504 HydrophobicContact CD1-CG 4.25Å; I415-L507 HydrophobicContact CD1-CB 4.13Å; I415-L507 HydrophobicContact CD1-CD1 3.95Å; I415-L508 HydrophobicContact CD1-CD2 4.35Å; I415-L508 HydrophobicContact CD1-CG 4.21Å; I415-L508 HydrophobicContact CG1-CD2 3.71Å; I415-L508 HydrophobicContact CG1-CG 4.06Å
416	H	67.9	Low	65.6	Low	82 Å²	82	50.6 Å²	50.6	38%	0.38	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-74.2	145.5	175.2	-72.6	-56.9	0	0	0	110.6	L339 F340 G341	L339-H416 PolarHBondContact O-N 3.42Å; F340-H416 PolarHBondContact O-CD2 3.37Å; F340-H416 VanDerWaalsContact O-CD2 3.31Å; G341-H416 VanDerWaalsContact CA-NE2 3.3Å; G341-H416 WeakPolarHBondContact CA-NE2 3.47Å
417	P	57.1	Low	62.5	Low	36 Å²	36	54.6 Å²	54.6	23%	0.234	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-62	144.5	165.4	4.5	4.9	0	0	0	109.4	T419	P417-T419 PolarHBondContact O-N 3.32Å
418	F	51.4	Low	59.8	Low	12 Å²	12	56.9 Å²	56.9	5%	0.053	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-62.5	124.6	175.5	-61.2	-36.9	0	0	0	110.1	L339 T439 H440 L443 P494	L339-F418 HydrophobicContact CD1-CE1 3.63Å; L339-F418 HydrophobicContact CD1-CZ 4.26Å; F418-T439 HydrophobicContact CD1-CG2 4.02Å; F418-T439 HydrophobicContact CE1-CG2 3.94Å; F418-T439 VanDerWaalsContact CE1-OG1 3.26Å; F418-T439 WeakPolarHBondContact CE1-OG1 3.38Å; F418-H440 AromaticContact CE2-CE1 3.87Å; F418-H440 AromaticContact CE2-NE2 3.86Å; F418-L443 HydrophobicContact CZ-CD1 3.78Å; F418-P494 HydrophobicContact CB-CG 3.88Å; F418-P494 HydrophobicContact CD2-CB 3.12Å; F418-P494 HydrophobicContact CD2-CG 3.17Å; F418-P494 HydrophobicContact CE2-CB 3.19Å; F418-P494 HydrophobicContact CE2-CG 3.69Å; F418-P494 HydrophobicContact CG-CB 4.09Å; F418-P494 HydrophobicContact CG-CG 3.63Å; F418-P494 HydrophobicContact CZ-CB 4.26Å
419	T	43.6	Very low	57.1	Low	94 Å²	94	63.6 Å²	63.6	58%	0.577	36%	0.358	S	S	*	.			trans	-112.6	108.7	171.4	58.3	0	0	0	0	108.5	P417 S421	P417-T419 PolarHBondContact O-N 3.32Å; T419-S421 VanDerWaalsContact C-N 3.28Å
420	T	40.2	Very low	54.5	Low	32 Å²	32	66.8 Å²	66.8	20%	0.196	38%	0.378	C	S	.	.			trans	-77.3	-13.4	170.1	47.5	0	0	0	0	112.5	L422 D491	T420-L422 PolarHBondContact O-N 3.39Å; T420-D491 WeakPolarHBondContact CB-OD2 3.36Å; T420-D491 HydrophobicContact CG2-CB 4.17Å; T420-D491 WeakPolarHBondContact OG1-CB 3.31Å; T420-D491 PolarHBondContact OG1-OD2 2.91Å
421	S	38.5	Very low	52	Low	58 Å²	58	71 Å²	71	41%	0.406	40%	0.399	S	S	.	.			trans	-78.8	78.3	-175.5	75.8	0	0	0	0	112	T419	T419-S421 VanDerWaalsContact C-N 3.28Å
422	L	36.1	Very low	49.3	Very low	91 Å²	91	74.6 Å²	74.6	48%	0.476	42%	0.424	S	S	.	.			trans	-66.4	134.4	152	-72.9	166.2	0	0	0	107.3	T420 Q426 L427 V435	T420-L422 PolarHBondContact O-N 3.39Å; L422-Q426 HydrophobicContact CB-CB 4.21Å; L422-L427 WeakPolarHBondContact O-CD1 3.3Å; L422-V435 HydrophobicContact CD1-CG2 4.37Å
423	S	35.1	Very low	46.6	Very low	75 Å²	75	81.2 Å²	81.2	52%	0.524	46%	0.455	S	S	.	.			trans	-51.1	143.6	179.5	52.3	0	0	0	0	111.4	T425 Q426	S423-T425 PolarHBondContact O-N 3.12Å; S423-T425 PolarHBondContact OG-OG1 3.28Å; S423-Q426 PolarHBondContact O-N 2.83Å
424	D	34.8	Very low	44.1	Very low	137 Å²	137	88.2 Å²	88.2	73%	0.733	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	-23.4	-177.1	-73.7	-34.7	0	0	0	115.2	Q426 L427	D424-Q426 VanDerWaalsContact C-N 3.28Å; D424-Q426 PolarHBondContact O-N 2.93Å; D424-L427 PolarHBondContact O-N 3.2Å
425	T	39.5	Very low	42.2	Very low	126 Å²	126	89.7 Å²	89.7	77%	0.773	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-19.8	173.4	38.4	0	0	0	0	114.9	S423	S423-T425 PolarHBondContact O-N 3.12Å; S423-T425 PolarHBondContact OG-OG1 3.28Å
426	Q	36.7	Very low	40.7	Very low	95 Å²	95	91.5 Å²	91.5	44%	0.444	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-14.2	175	-69.3	-72.6	-30.7	0	0	112.7	L422 S423 D424 N428 N429	L422-Q426 HydrophobicContact CB-CB 4.21Å; S423-Q426 PolarHBondContact O-N 2.83Å; D424-Q426 VanDerWaalsContact C-N 3.28Å; D424-Q426 PolarHBondContact O-N 2.93Å; Q426-N428 PolarHBondContact O-N 2.88Å; Q426-N428 VanDerWaalsContact O-N 3.16Å; Q426-N429 CarbonylContact O-C 3.56Å; Q426-N429 PolarHBondContact O-N 2.69Å; Q426-N429 VanDerWaalsContact O-N 3.15Å
427	L	31.6	Very low	39.7	Very low	103 Å²	103	94 Å²	94	54%	0.539	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-64.7	-20.6	-177.5	-105.3	106.2	0	0	0	113.8	L422 D424 N429	L422-L427 WeakPolarHBondContact O-CD1 3.3Å; D424-L427 PolarHBondContact O-N 3.2Å; L427-N429 PolarHBondContact O-N 2.81Å
428	N	37.2	Very low	40	Very low	150 Å²	150	93.9 Å²	93.9	80%	0.802	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-78.9	-4.4	178.4	-76.3	-12.2	0	0	0	114	Q426	Q426-N428 PolarHBondContact O-N 2.88Å; Q426-N428 VanDerWaalsContact O-N 3.16Å
429	N	36.6	Very low	40.8	Very low	140 Å²	140	93.5 Å²	93.5	75%	0.749	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-152.3	72.2	172.8	-85.8	-38.3	0	0	0	110.3	Q426 L427	Q426-N429 CarbonylContact O-C 3.56Å; Q426-N429 PolarHBondContact O-N 2.69Å; Q426-N429 VanDerWaalsContact O-N 3.15Å; L427-N429 PolarHBondContact O-N 2.81Å
430	T	34	Very low	42.3	Very low	104 Å²	104	92.6 Å²	92.6	64%	0.638	50%	0.502	S	S	*	.	S	Bend	trans	163.9	139.7	136.1	33.3	0	0	0	0	111.2	S432	T430-S432 PolarHBondContact O-N 2.79Å; T430-S432 VanDerWaalsContact O-N 3.13Å
431	D	38.8	Very low	44.3	Very low	112 Å²	112	94.7 Å²	94.7	60%	0.599	51%	0.512	S	S	*	.			trans	-52.4	107.1	177.6	-71.1	-45.1	0	0	0	112.3	Q433 F434	D431-Q433 PolarHBondContact O-N 2.93Å; D431-F434 HydrophobicContact CB-CD2 3.5Å; D431-F434 VanDerWaalsContact CB-CD2 3.5Å; D431-F434 HydrophobicContact CB-CE2 3.76Å; D431-F434 PolarHBondContact O-N 2.86Å
432	S	35	Very low	46.4	Very low	77 Å²	77	92.2 Å²	92.2	54%	0.538	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-17.6	175.7	55.1	0	0	0	0	114.3	T430	T430-S432 PolarHBondContact O-N 2.79Å; T430-S432 VanDerWaalsContact O-N 3.13Å
433	Q	33.2	Very low	48.7	Very low	140 Å²	140	88.1 Å²	88.1	65%	0.654	47%	0.473	S	S	*	.	H	α-helix	trans	-65	-34.3	173.7	-72.2	-177.2	-0.8	0	0	112.9	D431 V435 N436 F437	D431-Q433 PolarHBondContact O-N 2.93Å; Q433-V435 PolarHBondContact O-N 2.86Å; Q433-N436 PolarHBondContact O-N 3.38Å; Q433-F437 HydrophobicContact CB-CE2 4.43Å; Q433-F437 WeakPolarHBondContact O-CD2 3.37Å; Q433-F437 PolarHBondContact O-N 2.96Å
434	F	38.4	Very low	51.2	Low	147 Å²	147	94.2 Å²	94.2	65%	0.645	48%	0.484	S	S	*	.	H	α-helix	trans	-69.1	-33.8	-172.9	-80.1	-92.5	0	0	0	114	D431 N436 F437 S438	D431-F434 HydrophobicContact CB-CD2 3.5Å; D431-F434 VanDerWaalsContact CB-CD2 3.5Å; D431-F434 HydrophobicContact CB-CE2 3.76Å; D431-F434 PolarHBondContact O-N 2.86Å; F434-N436 VanDerWaalsContact C-N 3.32Å; F434-N436 PolarHBondContact O-N 2.91Å; F434-F437 PolarHBondContact O-N 3.35Å; F434-S438 PolarHBondContact O-N 3.01Å
435	V	43.3	Very low	53.9	Low	56 Å²	56	89.1 Å²	89.1	34%	0.339	46%	0.457	S	S	.	.	H	α-helix	trans	-65.1	-39.8	-178.8	-178	0	0	0	0	110.7	L422 Q433 S438	L422-V435 HydrophobicContact CD1-CG2 4.37Å; Q433-V435 PolarHBondContact O-N 2.86Å; V435-S438 PolarHBondContact O-N 3.31Å; V435-S438 PolarHBondContact O-OG 2.79Å
436	N	45.5	Very low	56.5	Low	55 Å²	55	83.1 Å²	83.1	29%	0.294	42%	0.42	S	S	.	.	H	α-helix	trans	-70.6	-36	-177.7	-137.1	10.8	0	0	0	112.2	Q433 F434 S438 T439 H440	Q433-N436 PolarHBondContact O-N 3.38Å; F434-N436 VanDerWaalsContact C-N 3.32Å; F434-N436 PolarHBondContact O-N 2.91Å; N436-S438 VanDerWaalsContact C-N 3.33Å; N436-S438 PolarHBondContact O-N 2.96Å; N436-T439 PolarHBondContact O-OG1 3.49Å; N436-H440 PolarHBondContact O-CD2 3.01Å
437	F	48	Very low	59.1	Low	135 Å²	135	80.8 Å²	80.8	59%	0.592	41%	0.41	S	S	*	.	H	α-helix	trans	-64.4	-38.4	172.8	-75.3	-71.2	0	0	0	111.8	Q433 F434 T439 H440 D441	Q433-F437 HydrophobicContact CB-CE2 4.43Å; Q433-F437 WeakPolarHBondContact O-CD2 3.37Å; Q433-F437 PolarHBondContact O-N 2.96Å; F434-F437 PolarHBondContact O-N 3.35Å; F437-T439 VanDerWaalsContact C-N 3.34Å; F437-T439 PolarHBondContact O-N 3.23Å; F437-H440 PolarHBondContact O-N 3.43Å; F437-D441 VanDerWaalsContact O-CG 3.23Å; F437-D441 PolarHBondContact O-N 3.42Å; F437-D441 VanDerWaalsContact O-N 3.08Å
438	S	63.6	Low	62	Low	33 Å²	33	78 Å²	78	23%	0.231	41%	0.406	C	S	.	.	H	α-helix	trans	-62.2	-36.6	-176.5	79.5	0	0	0	0	114.1	F434 V435 N436 D441 I442	F434-S438 PolarHBondContact O-N 3.01Å; V435-S438 PolarHBondContact O-N 3.31Å; V435-S438 PolarHBondContact O-OG 2.79Å; N436-S438 VanDerWaalsContact C-N 3.33Å; N436-S438 PolarHBondContact O-N 2.96Å; S438-D441 PolarHBondContact O-N 3.12Å; S438-I442 VanDerWaalsContact O-CG1 3.32Å; S438-I442 WeakPolarHBondContact O-CG1 3.17Å; S438-I442 PolarHBondContact O-N 3.06Å; S438-I442 VanDerWaalsContact O-N 3.11Å
439	T	68	Low	64.8	Low	4 Å²	4	71.1 Å²	71.1	3%	0.025	37%	0.37	C	S	.	.	H	α-helix	trans	-78.3	-38.6	-176.9	55.2	0	0	0	0	112	C338 F418 N436 F437 D441 I442 L443	C338-T439 HydrophobicContact CB-CG2 4.13Å; F418-T439 HydrophobicContact CD1-CG2 4.02Å; F418-T439 HydrophobicContact CE1-CG2 3.94Å; F418-T439 VanDerWaalsContact CE1-OG1 3.26Å; F418-T439 WeakPolarHBondContact CE1-OG1 3.38Å; N436-T439 PolarHBondContact O-OG1 3.49Å; F437-T439 VanDerWaalsContact C-N 3.34Å; F437-T439 PolarHBondContact O-N 3.23Å; T439-D441 VanDerWaalsContact C-N 3.25Å; T439-D441 PolarHBondContact O-N 3.04Å; T439-I442 PolarHBondContact O-N 2.85Å; T439-L443 WeakPolarHBondContact O-CG 3.3Å; T439-L443 PolarHBondContact O-N 2.75Å
440	H	74.9	Confident	67.5	Low	75 Å²	75	69 Å²	69	35%	0.347	36%	0.362	S	S	.	.	H	α-helix	trans	-61.1	-36.3	171.1	-80.1	-65.1	0	0	0	112.1	F418 N436 F437 L443 R444	F418-H440 AromaticContact CE2-CE1 3.87Å; F418-H440 AromaticContact CE2-NE2 3.86Å; N436-H440 PolarHBondContact O-CD2 3.01Å; F437-H440 PolarHBondContact O-N 3.43Å; H440-L443 PolarHBondContact O-N 3.46Å; H440-R444 WeakPolarHBondContact O-CB 3.3Å; H440-R444 PolarHBondContact O-N 3.21Å
441	D	81.4	Confident	70.4	Confident	75 Å²	75	64.1 Å²	64.1	40%	0.401	33%	0.332	S	S	.	.	H	α-helix	trans	-65.5	-44.8	174.4	-68.5	-25.3	0	0	0	111.3	F437 S438 T439 L443 R444 D445	F437-D441 VanDerWaalsContact O-CG 3.23Å; F437-D441 PolarHBondContact O-N 3.42Å; F437-D441 VanDerWaalsContact O-N 3.08Å; S438-D441 PolarHBondContact O-N 3.12Å; T439-D441 VanDerWaalsContact C-N 3.25Å; T439-D441 PolarHBondContact O-N 3.04Å; D441-L443 VanDerWaalsContact C-N 3.32Å; D441-L443 PolarHBondContact O-N 3.48Å; D441-R444 PolarHBondContact O-N 3.5Å; D441-D445 WeakPolarHBondContact O-CB 3.2Å; D441-D445 PolarHBondContact O-N 3.33Å
442	I	83.6	Confident	73.2	Confident	6 Å²	6	58.8 Å²	58.8	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-58.3	-44.7	174.6	-67	166.1	0	0	0	111.1	L339 F340 S438 T439 L446 T561 E564	L339-I442 HydrophobicContact CD2-CB 4.22Å; L339-I442 HydrophobicContact CD2-CG2 3.6Å; F340-I442 HydrophobicContact CE2-CG2 4.34Å; S438-I442 VanDerWaalsContact O-CG1 3.32Å; S438-I442 WeakPolarHBondContact O-CG1 3.17Å; S438-I442 PolarHBondContact O-N 3.06Å; S438-I442 VanDerWaalsContact O-N 3.11Å; T439-I442 PolarHBondContact O-N 2.85Å; I442-L446 HydrophobicContact CG2-CD1 4.01Å; I442-L446 WeakPolarHBondContact O-CB 3.38Å; I442-L446 WeakPolarHBondContact O-CG 3.27Å; I442-L446 PolarHBondContact O-N 3.32Å; I442-T561 HydrophobicContact CG2-CG2 4.31Å; I442-E564 HydrophobicContact CD1-CB 4.19Å; I442-E564 HydrophobicContact CD1-CG 4.47Å
443	L	83.8	Confident	76.1	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-59.1	-54.5	177.3	-70.8	175.6	0	0	0	111.1	L339 F418 T439 H440 D441 D445 L446 I447 V497 L498 L507	L339-L443 HydrophobicContact CD1-CD2 3.94Å; L339-L443 HydrophobicContact CD1-CG 4.26Å; L339-L443 HydrophobicContact CD2-CD2 3.6Å; L339-L443 HydrophobicContact CD2-CG 3.94Å; L339-L443 HydrophobicContact CG-CD2 4.4Å; F418-L443 HydrophobicContact CZ-CD1 3.78Å; T439-L443 WeakPolarHBondContact O-CG 3.3Å; T439-L443 PolarHBondContact O-N 2.75Å; H440-L443 PolarHBondContact O-N 3.46Å; D441-L443 VanDerWaalsContact C-N 3.32Å; D441-L443 PolarHBondContact O-N 3.48Å; L443-D445 VanDerWaalsContact C-N 3.31Å; L443-D445 PolarHBondContact O-N 2.94Å; L443-L446 PolarHBondContact O-N 2.68Å; L443-I447 VanDerWaalsContact O-CD1 3.24Å; L443-I447 WeakPolarHBondContact O-CD1 3.5Å; L443-I447 VanDerWaalsContact O-CG1 3.26Å; L443-I447 WeakPolarHBondContact O-CG1 3.41Å; L443-I447 PolarHBondContact O-N 3.32Å; L443-I447 VanDerWaalsContact O-N 3.09Å; L443-V497 HydrophobicContact CD1-CG1 4.17Å; L443-L498 HydrophobicContact CD2-CD2 4.29Å; L443-L507 HydrophobicContact CD2-CD1 3.31Å; L443-L507 HydrophobicContact CD2-CD2 3.66Å; L443-L507 HydrophobicContact CD2-CG 4.11Å
444	R	87.7	Confident	79.1	Confident	203 Å²	203	54.7 Å²	54.7	77%	0.766	28%	0.276	S	S	*	.	H	α-helix	trans	-60.9	-41	-179.2	-100.4	-177.3	165.5	171.3	-2.9	112.2	H440 D441 G448	H440-R444 WeakPolarHBondContact O-CB 3.3Å; H440-R444 PolarHBondContact O-N 3.21Å; D441-R444 PolarHBondContact O-N 3.5Å; R444-G448 WeakPolarHBondContact O-CA 3.43Å; R444-G448 PolarHBondContact O-N 2.73Å
445	D	92.5	Very high	81.9	Confident	29 Å²	29	47.7 Å²	47.7	16%	0.155	25%	0.245	C	C	.	.	H	α-helix	trans	-66.7	-46.3	-178.7	-172.6	47.1	0	0	0	111.3	D441 L443 I447 G448 S449 L557 L558 T561	D441-D445 WeakPolarHBondContact O-CB 3.2Å; D441-D445 PolarHBondContact O-N 3.33Å; L443-D445 VanDerWaalsContact C-N 3.31Å; L443-D445 PolarHBondContact O-N 2.94Å; D445-I447 PolarHBondContact O-N 3.5Å; D445-G448 PolarHBondContact O-N 2.74Å; D445-S449 VanDerWaalsContact O-CB 3.32Å; D445-S449 WeakPolarHBondContact O-CB 3.27Å; D445-S449 PolarHBondContact O-N 2.76Å; D445-L557 WeakPolarHBondContact OD2-CA 3.45Å; D445-L558 HydrophobicContact CB-CD1 4.02Å; D445-L558 HydrophobicContact CB-CG 4.29Å; D445-L558 WeakPolarHBondContact OD2-CB 3.3Å; D445-L558 PolarHBondContact OD2-N 3.16Å; D445-T561 WeakPolarHBondContact OD2-CB 3.41Å; D445-T561 PolarHBondContact OD2-OG1 3.5Å
446	L	92.5	Very high	84.4	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-45.9	175.4	-77.6	173.6	0	0	0	112.3	F340 I442 L443 S449 G452 L507 L514 L557 T561 L565	F340-L446 HydrophobicContact CE2-CD1 3.57Å; F340-L446 HydrophobicContact CZ-CD1 3.58Å; I442-L446 HydrophobicContact CG2-CD1 4.01Å; I442-L446 WeakPolarHBondContact O-CB 3.38Å; I442-L446 WeakPolarHBondContact O-CG 3.27Å; I442-L446 PolarHBondContact O-N 3.32Å; L443-L446 PolarHBondContact O-N 2.68Å; L446-S449 PolarHBondContact O-N 3.44Å; L446-S449 PolarHBondContact O-OG 3.11Å; L446-G452 VanDerWaalsContact O-CA 3.28Å; L446-G452 WeakPolarHBondContact O-CA 3.33Å; L446-L507 HydrophobicContact CB-CD2 4Å; L446-L507 HydrophobicContact CD1-CD2 4.21Å; L446-L514 HydrophobicContact CD2-CD1 3.79Å; L446-L557 HydrophobicContact CD2-CD2 4.44Å; L446-T561 HydrophobicContact CD1-CG2 4.43Å; L446-T561 HydrophobicContact CD2-CG2 3.75Å; L446-T561 HydrophobicContact CG-CG2 3.74Å; L446-L565 HydrophobicContact CD2-CD1 4.17Å; L446-L565 HydrophobicContact CD2-CD2 4.46Å
447	I	91.4	Very high	86.9	Confident	46 Å²	46	47.2 Å²	47.2	24%	0.236	24%	0.242	C	C	.	.	H	α-helix	trans	-69.4	-40.7	-178.8	-64.6	157.7	0	0	0	111.5	L443 D445 S449 G452 L503 L507	L443-I447 VanDerWaalsContact O-CD1 3.24Å; L443-I447 WeakPolarHBondContact O-CD1 3.5Å; L443-I447 VanDerWaalsContact O-CG1 3.26Å; L443-I447 WeakPolarHBondContact O-CG1 3.41Å; L443-I447 PolarHBondContact O-N 3.32Å; L443-I447 VanDerWaalsContact O-N 3.09Å; D445-I447 PolarHBondContact O-N 3.5Å; I447-S449 VanDerWaalsContact C-N 3.31Å; I447-G452 CarbonylContact O-C 3.44Å; I447-L503 HydrophobicContact CD1-CD1 3.2Å; I447-L503 HydrophobicContact CD1-CD2 4.46Å; I447-L503 HydrophobicContact CD1-CG 3.95Å; I447-L503 HydrophobicContact CG1-CD1 4.1Å; I447-L507 HydrophobicContact CD1-CD2 4.01Å; I447-L507 HydrophobicContact CD1-CG 4.3Å; I447-L507 HydrophobicContact CG1-CD2 3.8Å; I447-L507 HydrophobicContact CG1-CG 4.21Å
448	G	93.7	Very high	89.2	Confident	43 Å²	43	41.9 Å²	41.9	44%	0.443	22%	0.219	S	C	.	.	H	α-helix	trans	-80.3	-8.6	179.8	0	0	0	0	0	114.3	R444 D445 H453	R444-G448 WeakPolarHBondContact O-CA 3.43Å; R444-G448 PolarHBondContact O-N 2.73Å; D445-G448 PolarHBondContact O-N 2.74Å; G448-H453 PolarHBondContact O-CD2 2.83Å; G448-H453 PolarHBondContact O-NE2 3.11Å
449	S	94.9	Very high	90.8	Very high	6 Å²	6	41.2 Å²	41.2	4%	0.042	21%	0.213	C	C	.	.	S	Bend	trans	-65	159.1	174.6	74.3	0	0	0	0	111.5	D445 L446 I447 L451 G452 H453	D445-S449 VanDerWaalsContact O-CB 3.32Å; D445-S449 WeakPolarHBondContact O-CB 3.27Å; D445-S449 PolarHBondContact O-N 2.76Å; L446-S449 PolarHBondContact O-N 3.44Å; L446-S449 PolarHBondContact O-OG 3.11Å; I447-S449 VanDerWaalsContact C-N 3.31Å; S449-L451 PolarHBondContact O-N 2.82Å; S449-G452 PolarHBondContact O-N 3.05Å; S449-G452 PolarHBondContact OG-N 3.29Å; S449-H453 PolarHBondContact O-CD2 2.81Å; S449-H453 PolarHBondContact O-N 3.35Å
450	T	93.9	Very high	92.1	Very high	97 Å²	97	47.3 Å²	47.3	60%	0.595	24%	0.244	S	C	*	.	H	α-helix	trans	-53.7	-41.1	173.8	-53.7	0	0	0	0	111.6	I454	T450-I454 HydrophobicContact CG2-CD1 4.19Å; T450-I454 VanDerWaalsContact O-CG1 3.28Å; T450-I454 WeakPolarHBondContact O-CG1 3.23Å; T450-I454 PolarHBondContact O-N 2.81Å; T450-I454 VanDerWaalsContact O-N 3.13Å
451	L	95.6	Very high	93.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.2	-40.7	176.5	-179.2	61.2	0	0	0	112.1	W392 S449 H453 I454 V455 A510 L513 L514 V555	W392-L451 HydrophobicContact CD2-CD1 3.73Å; W392-L451 HydrophobicContact CE3-CD1 3.57Å; W392-L451 HydrophobicContact CG-CD1 4.39Å; W392-L451 HydrophobicContact CH2-CD1 3.95Å; W392-L451 HydrophobicContact CH2-CD2 4.02Å; W392-L451 HydrophobicContact CZ2-CD1 4.11Å; W392-L451 HydrophobicContact CZ3-CD1 3.7Å; W392-L451 HydrophobicContact CZ3-CD2 4.24Å; S449-L451 PolarHBondContact O-N 2.82Å; L451-H453 VanDerWaalsContact C-N 3.31Å; L451-H453 PolarHBondContact O-N 3.27Å; L451-I454 PolarHBondContact O-N 3.5Å; L451-I454 VanDerWaalsContact O-N 3.16Å; L451-V455 HydrophobicContact CD1-CG2 4.04Å; L451-V455 HydrophobicContact CG-CG2 4.21Å; L451-V455 VanDerWaalsContact O-CG2 3.29Å; L451-V455 WeakPolarHBondContact O-CG2 3.35Å; L451-V455 PolarHBondContact O-N 3.43Å; L451-A510 HydrophobicContact CD2-CB 4.35Å; L451-A510 HydrophobicContact CG-CB 4.42Å; L451-L513 HydrophobicContact CD1-CD1 4.26Å; L451-L513 HydrophobicContact CD2-CB 4.2Å; L451-L514 HydrophobicContact CD2-CD1 3.93Å; L451-L514 HydrophobicContact CD2-CD2 3.77Å; L451-L514 HydrophobicContact CD2-CG 3.55Å; L451-V555 HydrophobicContact CB-CG1 4.37Å; L451-V555 HydrophobicContact CB-CG2 4.31Å
452	G	96	Very high	93.7	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-57.8	-43.3	175.9	0	0	0	0	0	112.5	L446 I447 S449 T456	L446-G452 VanDerWaalsContact O-CA 3.28Å; L446-G452 WeakPolarHBondContact O-CA 3.33Å; I447-G452 CarbonylContact O-C 3.44Å; S449-G452 PolarHBondContact O-N 3.05Å; S449-G452 PolarHBondContact OG-N 3.29Å; G452-T456 WeakPolarHBondContact O-CB 3.47Å; G452-T456 PolarHBondContact O-N 2.98Å; G452-T456 PolarHBondContact O-OG1 3.1Å
453	H	96	Very high	94.2	Very high	115 Å²	115	52.9 Å²	52.9	53%	0.532	27%	0.269	S	S	.	.	H	α-helix	trans	-63.7	-42.7	173.4	-72.3	-50.3	0	0	0	112.9	G448 S449 L451 T456 D457	G448-H453 PolarHBondContact O-CD2 2.83Å; G448-H453 PolarHBondContact O-NE2 3.11Å; S449-H453 PolarHBondContact O-CD2 2.81Å; S449-H453 PolarHBondContact O-N 3.35Å; L451-H453 VanDerWaalsContact C-N 3.31Å; L451-H453 PolarHBondContact O-N 3.27Å; H453-T456 PolarHBondContact O-N 2.68Å; H453-D457 WeakPolarHBondContact O-CB 3.21Å; H453-D457 PolarHBondContact O-N 3.43Å
454	I	96.5	Very high	94.7	Very high	15 Å²	15	60.8 Å²	60.8	8%	0.077	30%	0.304	C	S	.	.	H	α-helix	trans	-63.1	-46.5	177.2	-69	165.9	0	0	0	111.1	T389 W392 Y393 L396 T450 L451 T456 D457 F458	T389-I454 HydrophobicContact CG2-CD1 4.39Å; W392-I454 HydrophobicContact CB-CD1 4.28Å; W392-I454 HydrophobicContact CB-CG2 3.89Å; W392-I454 HydrophobicContact CG-CD1 4.09Å; Y393-I454 HydrophobicContact CD2-CG2 4.42Å; Y393-I454 HydrophobicContact CE2-CG2 4.04Å; L396-I454 HydrophobicContact CD1-CG2 4.04Å; T450-I454 HydrophobicContact CG2-CD1 4.19Å; T450-I454 VanDerWaalsContact O-CG1 3.28Å; T450-I454 WeakPolarHBondContact O-CG1 3.23Å; T450-I454 PolarHBondContact O-N 2.81Å; T450-I454 VanDerWaalsContact O-N 3.13Å; L451-I454 PolarHBondContact O-N 3.5Å; L451-I454 VanDerWaalsContact O-N 3.16Å; I454-T456 VanDerWaalsContact C-N 3.3Å; I454-T456 PolarHBondContact O-N 3.14Å; I454-D457 PolarHBondContact O-N 2.95Å; I454-F458 WeakPolarHBondContact O-CB 3.28Å; I454-F458 PolarHBondContact O-N 3.49Å
455	V	97.1	Very high	95	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.9	-39.1	177.9	173.6	0	0	0	0	110.9	L396 L451 F458 M459 F505 C506 T509 A510	L396-V455 HydrophobicContact CD1-CG2 4.19Å; L396-V455 HydrophobicContact CD2-CG2 4.2Å; L451-V455 HydrophobicContact CD1-CG2 4.04Å; L451-V455 HydrophobicContact CG-CG2 4.21Å; L451-V455 VanDerWaalsContact O-CG2 3.29Å; L451-V455 WeakPolarHBondContact O-CG2 3.35Å; L451-V455 PolarHBondContact O-N 3.43Å; V455-F458 PolarHBondContact O-N 3.06Å; V455-M459 WeakPolarHBondContact O-CB 3.42Å; V455-M459 PolarHBondContact O-N 2.98Å; V455-F505 HydrophobicContact CG1-CD1 4.29Å; V455-F505 HydrophobicContact CG1-CE1 3.9Å; V455-C506 HydrophobicContact CG1-CB 4.25Å; V455-T509 HydrophobicContact CG1-CG2 3.94Å; V455-T509 HydrophobicContact CG2-CG2 4.23Å; V455-A510 HydrophobicContact CG2-CB 4.47Å
456	T	96.3	Very high	95.1	Very high	38 Å²	38	58.9 Å²	58.9	23%	0.233	30%	0.301	C	S	.	.	H	α-helix	trans	-65	-45.9	176.6	-58.3	0	0	0	0	111.4	G452 H453 I454 M459 L460 C506	G452-T456 WeakPolarHBondContact O-CB 3.47Å; G452-T456 PolarHBondContact O-N 2.98Å; G452-T456 PolarHBondContact O-OG1 3.1Å; H453-T456 PolarHBondContact O-N 2.68Å; I454-T456 VanDerWaalsContact C-N 3.3Å; I454-T456 PolarHBondContact O-N 3.14Å; T456-M459 HydrophobicContact CG2-CE 4.46Å; T456-M459 WeakPolarHBondContact O-CB 3.41Å; T456-M459 PolarHBondContact O-N 2.93Å; T456-L460 HydrophobicContact CG2-CD1 4.27Å; T456-L460 VanDerWaalsContact O-CG 3.31Å; T456-L460 WeakPolarHBondContact O-CG 3.34Å; T456-L460 PolarHBondContact O-N 3.41Å; T456-C506 PolarHBondContact OG1-SG 3.49Å; T456-C506 VanDerWaalsContact OG1-SG 3.33Å
457	D	97.1	Very high	95.1	Very high	63 Å²	63	60.6 Å²	60.6	34%	0.337	31%	0.31	S	S	.	.	H	α-helix	trans	-63.9	-40.5	176.4	-174.1	34.7	0	0	0	111.5	Y393 H453 I454 M459 L460 K461	Y393-D457 WeakPolarHBondContact OH-CB 3.35Å; Y393-D457 PolarHBondContact OH-OD2 2.95Å; H453-D457 WeakPolarHBondContact O-CB 3.21Å; H453-D457 PolarHBondContact O-N 3.43Å; I454-D457 PolarHBondContact O-N 2.95Å; D457-M459 PolarHBondContact O-N 2.89Å; D457-L460 PolarHBondContact O-N 2.91Å; D457-K461 WeakPolarHBondContact O-CG 3.43Å; D457-K461 PolarHBondContact O-N 3.39Å; D457-K461 VanDerWaalsContact O-N 3.14Å; D457-K461 WeakPolarHBondContact OD1-CE 3.16Å; D457-K461 IonicContact OD1-NZ 3.4Å; D457-K461 PolarHBondContact OD1-NZ 3.36Å; D457-K461 VanDerWaalsContact OD1-NZ 3.16Å; D457-K461 IonicContact OD2-NZ 3.33Å; D457-K461 PolarHBondContact OD2-NZ 2.9Å
458	F	97.4	Very high	95.2	Very high	24 Å²	24	62 Å²	62	11%	0.105	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-46.1	172.6	-179.4	-94.6	0	0	0	112.3	Y393 L396 F400 I454 V455 L460 K461 M462	Y393-F458 AromaticContact CD1-CD2 3.79Å; Y393-F458 HydrophobicContact CD1-CD2 3.79Å; Y393-F458 HydrophobicContact CE1-CB 3.97Å; Y393-F458 AromaticContact CE1-CD2 3.91Å; Y393-F458 HydrophobicContact CE1-CD2 3.91Å; Y393-F458 HydrophobicContact CE1-CG 4.47Å; L396-F458 HydrophobicContact CB-CD1 4.1Å; L396-F458 HydrophobicContact CB-CD2 3.78Å; L396-F458 HydrophobicContact CB-CE1 4Å; L396-F458 HydrophobicContact CB-CE2 3.68Å; L396-F458 HydrophobicContact CB-CG 3.99Å; L396-F458 HydrophobicContact CB-CZ 3.8Å; L396-F458 HydrophobicContact CD1-CB 3.86Å; L396-F458 HydrophobicContact CD1-CD1 4.33Å; L396-F458 HydrophobicContact CD1-CD2 4.19Å; L396-F458 HydrophobicContact CD1-CG 3.88Å; L396-F458 HydrophobicContact CG-CG 4.47Å; F400-F458 HydrophobicContact CB-CE1 4.27Å; F400-F458 HydrophobicContact CB-CZ 4.28Å; F400-F458 HydrophobicContact CD2-CD1 4.35Å; F400-F458 AromaticContact CD2-CE1 3.44Å; F400-F458 HydrophobicContact CD2-CE1 3.44Å; F400-F458 VanDerWaalsContact CD2-CE1 3.44Å; F400-F458 HydrophobicContact CD2-CZ 4.03Å; F400-F458 HydrophobicContact CE2-CE1 4.03Å; F400-F458 AromaticContact CG-CE1 3.97Å; F400-F458 HydrophobicContact CG-CE1 3.97Å; F400-F458 HydrophobicContact CG-CZ 4.43Å; I454-F458 WeakPolarHBondContact O-CB 3.28Å; I454-F458 PolarHBondContact O-N 3.49Å; V455-F458 PolarHBondContact O-N 3.06Å; F458-L460 PolarHBondContact O-N 3.39Å; F458-K461 PolarHBondContact O-N 2.83Å; F458-M462 HydrophobicContact CD1-CE 4Å; F458-M462 HydrophobicContact CE1-CE 3.38Å; F458-M462 HydrophobicContact CZ-CE 4.22Å; F458-M462 PolarHBondContact O-N 3.18Å
459	M	95.7	Very high	95.2	Very high	19 Å²	19	62.5 Å²	62.5	9%	0.094	31%	0.31	C	S	.	.	H	α-helix	trans	-60.1	-44.7	176.7	-176	-173.4	61.9	0	0	111.8	V455 T456 D457 K461 M462 L467 G502 F505	V455-M459 WeakPolarHBondContact O-CB 3.42Å; V455-M459 PolarHBondContact O-N 2.98Å; T456-M459 HydrophobicContact CG2-CE 4.46Å; T456-M459 WeakPolarHBondContact O-CB 3.41Å; T456-M459 PolarHBondContact O-N 2.93Å; D457-M459 PolarHBondContact O-N 2.89Å; M459-K461 PolarHBondContact O-N 2.85Å; M459-M462 WeakPolarHBondContact O-CB 3.22Å; M459-M462 PolarHBondContact O-N 3.47Å; M459-M462 VanDerWaalsContact O-N 3.11Å; M459-L467 HydrophobicContact CG-CD1 3.75Å; M459-L467 HydrophobicContact CG-CD2 3.98Å; M459-L467 HydrophobicContact SD-CD1 4.34Å; M459-G502 WeakPolarHBondContact SD-CA 3.5Å; M459-F505 HydrophobicContact CB-CD1 3.88Å; M459-F505 HydrophobicContact CB-CE1 3.61Å; M459-F505 HydrophobicContact CB-CZ 4.34Å; M459-F505 HydrophobicContact CG-CD1 3.73Å; M459-F505 HydrophobicContact CG-CE1 3.85Å; M459-F505 HydrophobicContact CG-CG 4.29Å; M459-F505 HydrophobicContact CG-CZ 4.44Å; M459-F505 HydrophobicContact SD-CB 4.07Å; M459-F505 HydrophobicContact SD-CD1 3.56Å; M459-F505 VanDerWaalsContact SD-CD1 3.56Å; M459-F505 HydrophobicContact SD-CE1 4.28Å; M459-F505 HydrophobicContact SD-CG 3.96Å
460	L	95.3	Very high	95.1	Very high	132 Å²	132	62.2 Å²	62.2	69%	0.691	31%	0.308	S	S	*	.	H	α-helix	trans	-65.8	-26.5	-179.4	-70.8	173	0	0	0	112.9	T456 D457 F458	T456-L460 HydrophobicContact CG2-CD1 4.27Å; T456-L460 VanDerWaalsContact O-CG 3.31Å; T456-L460 WeakPolarHBondContact O-CG 3.34Å; T456-L460 PolarHBondContact O-N 3.41Å; D457-L460 PolarHBondContact O-N 2.91Å; F458-L460 PolarHBondContact O-N 3.39Å
461	K	95.9	Very high	94.9	Very high	139 Å²	139	58.5 Å²	58.5	60%	0.604	29%	0.285	S	S	*	.	H	α-helix	trans	-86.4	-9.7	175.5	-69.7	167.1	178.5	164.6	0	113.4	D457 F458 M459	D457-K461 WeakPolarHBondContact O-CG 3.43Å; D457-K461 PolarHBondContact O-N 3.39Å; D457-K461 VanDerWaalsContact O-N 3.14Å; D457-K461 WeakPolarHBondContact OD1-CE 3.16Å; D457-K461 IonicContact OD1-NZ 3.4Å; D457-K461 PolarHBondContact OD1-NZ 3.36Å; D457-K461 VanDerWaalsContact OD1-NZ 3.16Å; D457-K461 IonicContact OD2-NZ 3.33Å; D457-K461 PolarHBondContact OD2-NZ 2.9Å; F458-K461 PolarHBondContact O-N 2.83Å; M459-K461 PolarHBondContact O-N 2.85Å
462	M	94.6	Very high	94.4	Very high	30 Å²	30	61.2 Å²	61.2	15%	0.148	30%	0.304	C	S	.	.	S	Bend	trans	-68.9	150.8	-178.5	-168.4	175.7	-74.5	0	0	111.6	F400 F458 M459 K464 Y466 L467 L470 F505	F400-M462 HydrophobicContact CB-CE 4.33Å; F400-M462 HydrophobicContact CD1-CE 3.94Å; F400-M462 HydrophobicContact CD2-CE 4.4Å; F400-M462 HydrophobicContact CE1-CE 4.39Å; F400-M462 HydrophobicContact CG-CE 3.95Å; F458-M462 HydrophobicContact CD1-CE 4Å; F458-M462 HydrophobicContact CE1-CE 3.38Å; F458-M462 HydrophobicContact CZ-CE 4.22Å; F458-M462 PolarHBondContact O-N 3.18Å; M459-M462 WeakPolarHBondContact O-CB 3.22Å; M459-M462 PolarHBondContact O-N 3.47Å; M459-M462 VanDerWaalsContact O-N 3.11Å; M462-K464 PolarHBondContact O-N 3.05Å; M462-Y466 HydrophobicContact CE-CE1 4.37Å; M462-Y466 HydrophobicContact CG-CD1 3.89Å; M462-Y466 HydrophobicContact SD-CD1 3.54Å; M462-Y466 VanDerWaalsContact SD-CD1 3.54Å; M462-Y466 HydrophobicContact SD-CE1 3.87Å; M462-L467 HydrophobicContact SD-CB 4.28Å; M462-L467 HydrophobicContact SD-CD1 4.33Å; M462-L470 HydrophobicContact CE-CD1 4.24Å; M462-L470 HydrophobicContact SD-CD1 3.51Å; M462-L470 VanDerWaalsContact SD-CD1 3.51Å; M462-F505 HydrophobicContact CE-CE2 4.11Å; M462-F505 HydrophobicContact CE-CZ 3.88Å
463	N	95.1	Very high	93.8	Very high	103 Å²	103	66.3 Å²	66.3	55%	0.551	33%	0.331	S	S	*	.			trans	-55	128.5	171.2	176.2	-73.3	0	0	0	110.8	E465 Y466 L467	N463-E465 PolarHBondContact O-N 3.44Å; N463-E465 WeakPolarHBondContact OD1-CA 3.28Å; N463-E465 WeakPolarHBondContact OD1-CB 2.87Å; N463-E465 PolarHBondContact OD1-N 2.99Å; N463-Y466 PolarHBondContact O-N 2.82Å; N463-Y466 PolarHBondContact OD1-N 3.21Å; N463-L467 PolarHBondContact O-N 3.43Å
464	K	93.3	Very high	93.4	Very high	173 Å²	173	60.8 Å²	60.8	75%	0.752	31%	0.305	S	S	*	.	H	α-helix	trans	-63.9	-36.7	-174.1	-171.7	177.2	-179.6	-179.9	0	113.8	M462 T468	M462-K464 PolarHBondContact O-N 3.05Å; K464-T468 WeakPolarHBondContact O-CB 3.18Å; K464-T468 PolarHBondContact O-N 3.43Å; K464-T468 PolarHBondContact O-OG1 3.34Å
465	E	93.8	Very high	93.1	Very high	159 Å²	159	60.3 Å²	60.3	74%	0.743	30%	0.303	S	S	*	.	H	α-helix	trans	-67.6	-43.4	177.2	-172.8	178.5	178.1	0	0	110.6	N463 T468 W469	N463-E465 PolarHBondContact O-N 3.44Å; N463-E465 WeakPolarHBondContact OD1-CA 3.28Å; N463-E465 WeakPolarHBondContact OD1-CB 2.87Å; N463-E465 PolarHBondContact OD1-N 2.99Å; E465-T468 WeakPolarHBondContact O-CB 2.9Å; E465-T468 PolarHBondContact O-N 2.94Å; E465-W469 PolarHBondContact O-N 3.25Å
466	Y	94.8	Very high	92.8	Very high	32 Å²	32	60.4 Å²	60.4	13%	0.125	30%	0.303	C	S	.	.	H	α-helix	trans	-64.6	-44.1	176	-177.4	-129.4	0	0	0	112.3	F400 D404 M462 N463 T468 W469 L470	F400-Y466 PolarHBondContact O-OH 3.4Å; D404-Y466 WeakPolarHBondContact CA-OH 3.45Å; D404-Y466 HydrophobicContact CB-CE1 4.41Å; D404-Y466 HydrophobicContact CB-CE2 3.8Å; D404-Y466 WeakPolarHBondContact CB-OH 3.42Å; D404-Y466 PolarHBondContact N-OH 3.35Å; D404-Y466 VanDerWaalsContact N-OH 3.08Å; D404-Y466 WeakPolarHBondContact OD1-CE2 3.28Å; M462-Y466 HydrophobicContact CE-CE1 4.37Å; M462-Y466 HydrophobicContact CG-CD1 3.89Å; M462-Y466 HydrophobicContact SD-CD1 3.54Å; M462-Y466 VanDerWaalsContact SD-CD1 3.54Å; M462-Y466 HydrophobicContact SD-CE1 3.87Å; N463-Y466 PolarHBondContact O-N 2.82Å; N463-Y466 PolarHBondContact OD1-N 3.21Å; Y466-T468 VanDerWaalsContact C-N 3.28Å; Y466-T468 PolarHBondContact O-N 3.44Å; Y466-W469 AromaticContact CD2-CE3 3.85Å; Y466-W469 HydrophobicContact CD2-CE3 3.85Å; Y466-W469 HydrophobicContact CD2-CZ3 4.44Å; Y466-W469 AromaticContact CE2-CE3 3.54Å; Y466-W469 HydrophobicContact CE2-CE3 3.54Å; Y466-W469 AromaticContact CE2-CZ3 3.67Å; Y466-W469 HydrophobicContact CE2-CZ3 3.67Å; Y466-W469 PolarHBondContact O-N 3.13Å; Y466-L470 HydrophobicContact CD1-CD1 3.89Å; Y466-L470 HydrophobicContact CD2-CG 4.32Å; Y466-L470 HydrophobicContact CE1-CD1 3.56Å; Y466-L470 HydrophobicContact CE1-CG 4.2Å; Y466-L470 HydrophobicContact CE2-CD1 4.21Å; Y466-L470 HydrophobicContact CE2-CD2 4.21Å; Y466-L470 HydrophobicContact CE2-CG 3.93Å; Y466-L470 HydrophobicContact CG-CD1 4.36Å; Y466-L470 WeakPolarHBondContact O-CG 3.39Å; Y466-L470 PolarHBondContact O-N 2.65Å
467	L	93.6	Very high	92.1	Very high	38 Å²	38	63.1 Å²	63.1	20%	0.199	31%	0.309	C	S	.	.	H	α-helix	trans	-61.7	-37.3	175	-178.5	62.2	0	0	0	112	M459 M462 N463 L470 T471 F505	M459-L467 HydrophobicContact CG-CD1 3.75Å; M459-L467 HydrophobicContact CG-CD2 3.98Å; M459-L467 HydrophobicContact SD-CD1 4.34Å; M462-L467 HydrophobicContact SD-CB 4.28Å; M462-L467 HydrophobicContact SD-CD1 4.33Å; N463-L467 PolarHBondContact O-N 3.43Å; L467-L470 PolarHBondContact O-N 3.37Å; L467-T471 HydrophobicContact CD1-CG2 4.06Å; L467-T471 WeakPolarHBondContact O-CB 3.31Å; L467-T471 WeakPolarHBondContact O-CG2 3.13Å; L467-T471 PolarHBondContact O-N 2.91Å; L467-T471 PolarHBondContact O-OG1 3.25Å; L467-F505 HydrophobicContact CD1-CD2 4.36Å
468	T	92.5	Very high	91.1	Very high	75 Å²	75	63.8 Å²	63.8	46%	0.46	31%	0.312	S	S	.	.	H	α-helix	trans	-61.7	-51.6	174.4	-56.7	0	0	0	0	109.7	K464 E465 Y466 L470 T471 S472	K464-T468 WeakPolarHBondContact O-CB 3.18Å; K464-T468 PolarHBondContact O-N 3.43Å; K464-T468 PolarHBondContact O-OG1 3.34Å; E465-T468 WeakPolarHBondContact O-CB 2.9Å; E465-T468 PolarHBondContact O-N 2.94Å; Y466-T468 VanDerWaalsContact C-N 3.28Å; Y466-T468 PolarHBondContact O-N 3.44Å; T468-L470 PolarHBondContact O-N 3.04Å; T468-T471 PolarHBondContact O-N 2.93Å; T468-T471 PolarHBondContact O-OG1 2.94Å; T468-S472 WeakPolarHBondContact O-CB 3.16Å; T468-S472 PolarHBondContact O-N 2.83Å; T468-S472 PolarHBondContact O-OG 3.23Å
469	W	93.6	Very high	89.5	Confident	54 Å²	54	65.3 Å²	65.3	21%	0.205	33%	0.326	C	S	.	.	H	α-helix	trans	-57.1	-48	176.6	173.1	79.3	0	0	0	112.3	R407 E465 Y466 T471 D473 G474	R407-W469 HydrophobicContact CB-CH2 4.04Å; R407-W469 HydrophobicContact CB-CZ2 3.93Å; R407-W469 HydrophobicContact CG-CH2 4.27Å; R407-W469 HydrophobicContact CG-CZ2 4.23Å; E465-W469 PolarHBondContact O-N 3.25Å; Y466-W469 AromaticContact CD2-CE3 3.85Å; Y466-W469 HydrophobicContact CD2-CE3 3.85Å; Y466-W469 HydrophobicContact CD2-CZ3 4.44Å; Y466-W469 AromaticContact CE2-CE3 3.54Å; Y466-W469 HydrophobicContact CE2-CE3 3.54Å; Y466-W469 AromaticContact CE2-CZ3 3.67Å; Y466-W469 HydrophobicContact CE2-CZ3 3.67Å; Y466-W469 PolarHBondContact O-N 3.13Å; W469-T471 PolarHBondContact O-N 3.37Å; W469-T471 VanDerWaalsContact O-N 3.15Å; W469-D473 PolarHBondContact O-N 3.41Å; W469-G474 VanDerWaalsContact O-CA 3.3Å; W469-G474 WeakPolarHBondContact O-CA 3.19Å; W469-G474 PolarHBondContact O-N 3.01Å
470	L	93.6	Very high	87.9	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-54.5	-36.8	-179.9	-82.4	170.2	0	0	0	112.2	F400 I403 M462 Y466 L467 T468 G474 T475 F476 R477 F505	F400-L470 HydrophobicContact CD1-CD1 4.11Å; F400-L470 HydrophobicContact CE1-CD1 4.15Å; I403-L470 HydrophobicContact CG2-CD2 3.78Å; M462-L470 HydrophobicContact CE-CD1 4.24Å; M462-L470 HydrophobicContact SD-CD1 3.51Å; M462-L470 VanDerWaalsContact SD-CD1 3.51Å; Y466-L470 HydrophobicContact CD1-CD1 3.89Å; Y466-L470 HydrophobicContact CD2-CG 4.32Å; Y466-L470 HydrophobicContact CE1-CD1 3.56Å; Y466-L470 HydrophobicContact CE1-CG 4.2Å; Y466-L470 HydrophobicContact CE2-CD1 4.21Å; Y466-L470 HydrophobicContact CE2-CD2 4.21Å; Y466-L470 HydrophobicContact CE2-CG 3.93Å; Y466-L470 HydrophobicContact CG-CD1 4.36Å; Y466-L470 WeakPolarHBondContact O-CG 3.39Å; Y466-L470 PolarHBondContact O-N 2.65Å; L467-L470 PolarHBondContact O-N 3.37Å; T468-L470 PolarHBondContact O-N 3.04Å; L470-G474 CarbonylContact O-C 3.51Å; L470-T475 PolarHBondContact O-N 2.93Å; L470-F476 HydrophobicContact CB-CD2 4.3Å; L470-F476 HydrophobicContact CD2-CD2 3.93Å; L470-F476 HydrophobicContact CD2-CE2 4.06Å; L470-F476 CarbonylContact O-C 3.53Å; L470-F476 WeakPolarHBondContact O-CA 3.42Å; L470-F476 WeakPolarHBondContact O-CB 3.28Å; L470-F476 PolarHBondContact O-N 3.38Å; L470-R477 PolarHBondContact O-N 3.05Å; L470-F505 HydrophobicContact CD1-CE2 4.08Å
471	T	90.2	Very high	85.7	Confident	18 Å²	18	67.1 Å²	67.1	11%	0.11	34%	0.338	C	S	.	.	H	α-helix	trans	-103.9	-14.9	-168.6	59.7	0	0	0	0	115	L467 T468 W469 F476 R477 P501	L467-T471 HydrophobicContact CD1-CG2 4.06Å; L467-T471 WeakPolarHBondContact O-CB 3.31Å; L467-T471 WeakPolarHBondContact O-CG2 3.13Å; L467-T471 PolarHBondContact O-N 2.91Å; L467-T471 PolarHBondContact O-OG1 3.25Å; T468-T471 PolarHBondContact O-N 2.93Å; T468-T471 PolarHBondContact O-OG1 2.94Å; W469-T471 PolarHBondContact O-N 3.37Å; W469-T471 VanDerWaalsContact O-N 3.15Å; T471-F476 HydrophobicContact CG2-CB 4.46Å; T471-R477 WeakPolarHBondContact O-CA 3.43Å; T471-P501 HydrophobicContact CG2-CB 3.77Å
472	S	85.1	Confident	83.5	Confident	57 Å²	57	63.6 Å²	63.6	40%	0.399	33%	0.328	S	S	.	.	H	α-helix	trans	-96.7	-60	173.7	63.8	0	0	0	0	112.5	T468 R477	T468-S472 WeakPolarHBondContact O-CB 3.16Å; T468-S472 PolarHBondContact O-N 2.83Å; T468-S472 PolarHBondContact O-OG 3.23Å; S472-R477 WeakPolarHBondContact O-CB 3.39Å
473	D	82.2	Confident	81.2	Confident	108 Å²	108	65.1 Å²	65.1	58%	0.578	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-19.9	-167.1	-61.1	-68.5	0	0	0	112.6	W469	W469-D473 PolarHBondContact O-N 3.41Å
474	G	87.6	Confident	79	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.337	C	S	.	.	S	Bend	trans	-95	-144.3	-172.1	0	0	0	0	0	113.9	W469 L470 F476 R477	W469-G474 VanDerWaalsContact O-CA 3.3Å; W469-G474 WeakPolarHBondContact O-CA 3.19Å; W469-G474 PolarHBondContact O-N 3.01Å; L470-G474 CarbonylContact O-C 3.51Å; G474-F476 PolarHBondContact O-N 2.94Å; G474-R477 WeakPolarHBondContact O-CD 3.2Å; G474-R477 WeakPolarHBondContact O-CG 3.49Å
475	T	90.5	Very high	76.4	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.031	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-33.6	-163.2	-50.4	0	0	0	0	114.7	I403 P408 S410 F411 L470	I403-T475 HydrophobicContact CG2-CG2 4.41Å; I403-T475 WeakPolarHBondContact CG2-OG1 3.42Å; P408-T475 HydrophobicContact CG-CG2 4.2Å; P408-T475 WeakPolarHBondContact O-CA 3.35Å; P408-T475 WeakPolarHBondContact O-CB 3.47Å; P408-T475 PolarHBondContact O-N 3.41Å; P408-T475 PolarHBondContact O-OG1 2.97Å; S410-T475 CarbonylContact C-O 3.5Å; F411-T475 HydrophobicContact CB-CG2 3.82Å; F411-T475 HydrophobicContact CD2-CG2 3.6Å; F411-T475 HydrophobicContact CG-CG2 4.09Å; F411-T475 PolarHBondContact N-O 2.85Å; L470-T475 PolarHBondContact O-N 2.93Å
476	F	89.7	Confident	73.8	Confident	2 Å²	2	60 Å²	60	1%	0.009	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	19.2	-173.5	-60.2	-91	0	0	0	113.2	F400 F411 L470 T471 G474 R504 F505 L508	F400-F476 AromaticContact CE1-CE2 3.64Å; F400-F476 HydrophobicContact CE1-CE2 3.64Å; F400-F476 AromaticContact CE1-CZ 3.97Å; F400-F476 HydrophobicContact CE1-CZ 3.97Å; F400-F476 HydrophobicContact CZ-CE2 4.1Å; F400-F476 AromaticContact CZ-CZ 3.95Å; F400-F476 HydrophobicContact CZ-CZ 3.95Å; F411-F476 AromaticContact CD1-CE1 3.89Å; F411-F476 HydrophobicContact CD1-CE1 3.89Å; F411-F476 HydrophobicContact CD1-CZ 4.29Å; F411-F476 HydrophobicContact CD2-CE1 4.33Å; F411-F476 AromaticContact CD2-CZ 3.97Å; F411-F476 HydrophobicContact CD2-CZ 3.97Å; F411-F476 HydrophobicContact CE1-CE1 4.1Å; F411-F476 HydrophobicContact CE1-CZ 4.32Å; F411-F476 HydrophobicContact CE2-CZ 4.03Å; F411-F476 AromaticContact CG-CE1 4Å; F411-F476 HydrophobicContact CG-CE1 4Å; F411-F476 HydrophobicContact CG-CZ 4.11Å; F411-F476 HydrophobicContact CZ-CE1 4.44Å; F411-F476 HydrophobicContact CZ-CZ 4.2Å; L470-F476 HydrophobicContact CB-CD2 4.3Å; L470-F476 HydrophobicContact CD2-CD2 3.93Å; L470-F476 HydrophobicContact CD2-CE2 4.06Å; L470-F476 CarbonylContact O-C 3.53Å; L470-F476 WeakPolarHBondContact O-CA 3.42Å; L470-F476 WeakPolarHBondContact O-CB 3.28Å; L470-F476 PolarHBondContact O-N 3.38Å; T471-F476 HydrophobicContact CG2-CB 4.46Å; G474-F476 PolarHBondContact O-N 2.94Å; F476-R504 PolarHBondContact O-NE 3.47Å; F476-F505 HydrophobicContact CD1-CD2 4.45Å; F476-F505 AromaticContact CD2-CD2 3.97Å; F476-F505 HydrophobicContact CD2-CD2 3.97Å; F476-F505 HydrophobicContact CE2-CD2 4.14Å; F476-F505 HydrophobicContact CE2-CE2 4.31Å; F476-F505 HydrophobicContact CG-CD2 4.15Å; F476-F505 HydrophobicContact CZ-CD2 4.43Å; F476-L508 HydrophobicContact CD1-CB 3.95Å; F476-L508 HydrophobicContact CD1-CD1 3.93Å; F476-L508 HydrophobicContact CE1-CB 3.8Å
477	R	83.6	Confident	71.3	Confident	95 Å²	95	63.9 Å²	63.9	36%	0.358	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-58	150.9	172.6	71.9	-173.1	-168.1	163.8	10.2	111.6	R160 T409 L470 T471 S472 G474 S479	R160-R477 VanDerWaalsContact NH1-NH2 3.11Å; T409-R477 PolarHBondContact O-NE 3.48Å; L470-R477 PolarHBondContact O-N 3.05Å; T471-R477 WeakPolarHBondContact O-CA 3.43Å; S472-R477 WeakPolarHBondContact O-CB 3.39Å; G474-R477 WeakPolarHBondContact O-CD 3.2Å; G474-R477 WeakPolarHBondContact O-CG 3.49Å; R477-S479 PolarHBondContact O-N 3.49Å; R477-S479 VanDerWaalsContact O-N 3.16Å
478	L	74.6	Confident	68.9	Low	76 Å²	76	67.9 Å²	67.9	40%	0.398	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-63.5	117.9	176.1	-173.3	65	0	0	0	109.5
479	S	65.3	Low	66.4	Low	57 Å²	57	69.2 Å²	69.2	40%	0.399	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-69.9	132	174.5	46.5	0	0	0	0	110.1	R477	R477-S479 PolarHBondContact O-N 3.49Å; R477-S479 VanDerWaalsContact O-N 3.16Å
480	I	60.5	Low	63.8	Low	156 Å²	156	70.6 Å²	70.6	80%	0.8	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-71	133.5	169.1	-56	172.3	0	0	0	107.3
481	S	50.5	Low	61.4	Low	33 Å²	33	75 Å²	75	23%	0.231	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-56.5	144.2	175.9	-50.3	0	0	0	0	111.4	S485	S481-S485 WeakPolarHBondContact CB-OG 3.4Å
482	T	49.6	Very low	59.1	Low	64 Å²	64	81.7 Å²	81.7	39%	0.393	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-62.3	158.5	179	50.9	0	0	0	0	111.5	D484 S485	T482-D484 PolarHBondContact O-N 3.37Å; T482-D484 VanDerWaalsContact O-N 3.11Å; T482-S485 VanDerWaalsContact O-CB 3.23Å; T482-S485 WeakPolarHBondContact O-CB 3.44Å; T482-S485 PolarHBondContact O-N 2.92Å; T482-S485 PolarHBondContact O-OG 2.91Å
483	P	45.5	Very low	57.2	Low	62 Å²	62	81.3 Å²	81.3	40%	0.403	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-53.1	-34.4	-179.8	-26.2	34.1	0	0	0	114	S485 W486	P483-S485 PolarHBondContact O-N 2.94Å; P483-S485 VanDerWaalsContact O-N 3.14Å; P483-W486 WeakPolarHBondContact O-CB 3.27Å; P483-W486 PolarHBondContact O-N 2.47Å
484	D	48	Very low	55.7	Low	91 Å²	91	76.8 Å²	76.8	49%	0.487	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-62.5	-18.6	176.5	-55.7	-27.1	0	0	0	113	T482 W486 T487	T482-D484 PolarHBondContact O-N 3.37Å; T482-D484 VanDerWaalsContact O-N 3.11Å; D484-W486 VanDerWaalsContact C-N 3.26Å; D484-W486 PolarHBondContact O-N 3.16Å; D484-T487 PolarHBondContact O-OG1 2.93Å
485	S	40	Very low	54	Low	24 Å²	24	81.5 Å²	81.5	17%	0.168	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-74.8	-17.7	174.6	97.5	0	0	0	0	112.6	S481 T482 P483 T487	S481-S485 WeakPolarHBondContact CB-OG 3.4Å; T482-S485 VanDerWaalsContact O-CB 3.23Å; T482-S485 WeakPolarHBondContact O-CB 3.44Å; T482-S485 PolarHBondContact O-N 2.92Å; T482-S485 PolarHBondContact O-OG 2.91Å; P483-S485 PolarHBondContact O-N 2.94Å; P483-S485 VanDerWaalsContact O-N 3.14Å; S485-T487 VanDerWaalsContact C-N 3.35Å
486	W	38.6	Very low	52.4	Low	213 Å²	213	87 Å²	87	81%	0.807	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-20.6	179	-63.6	4.4	0	0	0	111.7	P483 D484	P483-W486 WeakPolarHBondContact O-CB 3.27Å; P483-W486 PolarHBondContact O-N 2.47Å; D484-W486 VanDerWaalsContact C-N 3.26Å; D484-W486 PolarHBondContact O-N 3.16Å
487	T	42	Very low	50.7	Low	114 Å²	114	89.6 Å²	89.6	70%	0.699	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-20.6	178.7	57.9	0	0	0	0	112.5	D484 S485	D484-T487 PolarHBondContact O-OG1 2.93Å; S485-T487 VanDerWaalsContact C-N 3.35Å
488	K	42.7	Very low	50	Low	122 Å²	122	85.5 Å²	85.5	53%	0.53	47%	0.467	S	S	.	.	S	Bend	trans	-91.1	128.7	173.7	-67.7	-175	-179.7	-179.9	0	110.3	T490	K488-T490 PolarHBondContact O-N 3.26Å
489	P	40.3	Very low	49.8	Very low	102 Å²	102	84.6 Å²	84.6	66%	0.662	47%	0.467	S	S	*	.			trans	-56.3	112.2	169.8	-18.1	29.3	0	0	0	108.8	D491	P489-D491 PolarHBondContact O-N 2.95Å
490	T	39.9	Very low	50.7	Low	84 Å²	84	85.8 Å²	85.8	52%	0.515	47%	0.469	S	S	.	.			trans	-78.4	107.9	171.1	55.6	0	0	0	0	107.3	K488	K488-T490 PolarHBondContact O-N 3.26Å
491	D	42	Very low	51.8	Low	91 Å²	91	80.8 Å²	80.8	49%	0.487	45%	0.446	S	S	.	.			trans	-63.4	166.4	166.1	-80.2	-13.5	0	0	0	110.9	T420 P489 C493	T420-D491 WeakPolarHBondContact CB-OD2 3.36Å; T420-D491 HydrophobicContact CG2-CB 4.17Å; T420-D491 WeakPolarHBondContact OG1-CB 3.31Å; T420-D491 PolarHBondContact OG1-OD2 2.91Å; P489-D491 PolarHBondContact O-N 2.95Å; D491-C493 PolarHBondContact O-N 3.45Å; D491-C493 VanDerWaalsContact O-N 3.1Å
492	D	43.1	Very low	53.6	Low	159 Å²	159	79.9 Å²	79.9	85%	0.85	44%	0.442	S	S	*	.	S	Bend	trans	-23.4	105.1	-172.2	-79	-31.6	0	0	0	113.8	P494	D492-P494 WeakPolarHBondContact O-CD 3.25Å
493	C	45	Very low	55.4	Low	49 Å²	49	78.6 Å²	78.6	33%	0.331	43%	0.433	S	S	.	.			trans	-74.2	121.2	-160.3	-164.4	0	0	0	0	111.5	D491 F495	D491-C493 PolarHBondContact O-N 3.45Å; D491-C493 VanDerWaalsContact O-N 3.1Å; C493-F495 HydrophobicContact CB-CD2 3.88Å; C493-F495 HydrophobicContact CB-CE2 4.4Å; C493-F495 PolarHBondContact O-N 3.49Å; C493-F495 WeakPolarHBondContact SG-CD2 3.27Å; C493-F495 WeakPolarHBondContact SG-CE2 3.15Å; C493-F495 WeakPolarHBondContact SG-CG 3.12Å
494	P	50.1	Low	57.4	Low	13 Å²	13	76.5 Å²	76.5	8%	0.084	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	13.3	176.2	34.5	-42.4	0	0	0	113.9	F418 D492 T496 V497 L498	F418-P494 HydrophobicContact CB-CG 3.88Å; F418-P494 HydrophobicContact CD2-CB 3.12Å; F418-P494 HydrophobicContact CD2-CG 3.17Å; F418-P494 HydrophobicContact CE2-CB 3.19Å; F418-P494 HydrophobicContact CE2-CG 3.69Å; F418-P494 HydrophobicContact CG-CB 4.09Å; F418-P494 HydrophobicContact CG-CG 3.63Å; F418-P494 HydrophobicContact CZ-CB 4.26Å; D492-P494 WeakPolarHBondContact O-CD 3.25Å; P494-T496 PolarHBondContact O-N 3.1Å; P494-V497 PolarHBondContact O-N 3.48Å; P494-L498 PolarHBondContact O-N 3.18Å; P494-L498 VanDerWaalsContact O-N 3.13Å
495	F	52.4	Low	59.6	Low	100 Å²	100	72.2 Å²	72.2	44%	0.439	39%	0.394	S	S	.	.	H	α-helix	trans	-49	-32.2	178.1	-83.3	-47.4	0	0	0	111.5	C493 V497 L498 S499	C493-F495 HydrophobicContact CB-CD2 3.88Å; C493-F495 HydrophobicContact CB-CE2 4.4Å; C493-F495 PolarHBondContact O-N 3.49Å; C493-F495 WeakPolarHBondContact SG-CD2 3.27Å; C493-F495 WeakPolarHBondContact SG-CE2 3.15Å; C493-F495 WeakPolarHBondContact SG-CG 3.12Å; F495-V497 VanDerWaalsContact C-N 3.32Å; F495-V497 PolarHBondContact O-N 3.29Å; F495-L498 PolarHBondContact O-N 2.88Å; F495-S499 VanDerWaalsContact O-CA 3.28Å; F495-S499 WeakPolarHBondContact O-CA 3.16Å; F495-S499 WeakPolarHBondContact O-CB 3.37Å; F495-S499 PolarHBondContact O-N 3.44Å; F495-S499 PolarHBondContact O-OG 3.27Å
496	T	56.7	Low	62.1	Low	121 Å²	121	71.3 Å²	71.3	74%	0.742	39%	0.388	S	S	*	.	H	α-helix	trans	-60.3	-41.9	179.3	-14.1	0	0	0	0	112.6	P494 S499	P494-T496 PolarHBondContact O-N 3.1Å; T496-S499 PolarHBondContact O-OG 3.33Å; T496-S499 VanDerWaalsContact O-OG 3.11Å
497	V	55.2	Low	64.6	Low	55 Å²	55	61.2 Å²	61.2	33%	0.333	35%	0.349	S	S	.	.	H	α-helix	trans	-77.1	-45.2	179.6	178.2	0	0	0	0	110.3	L443 P494 F495 S499 L503	L443-V497 HydrophobicContact CD1-CG1 4.17Å; P494-V497 PolarHBondContact O-N 3.48Å; F495-V497 VanDerWaalsContact C-N 3.32Å; F495-V497 PolarHBondContact O-N 3.29Å; V497-S499 PolarHBondContact O-N 3.14Å; V497-L503 HydrophobicContact CG1-CD2 3.35Å; V497-L503 WeakPolarHBondContact O-CD2 3.31Å
498	L	67.1	Low	67.1	Low	10 Å²	10	56.3 Å²	56.3	5%	0.052	32%	0.319	C	S	.	.	H	α-helix	trans	-84.7	-6.3	-176.3	-62.7	178.4	0	0	0	114.2	I415 L443 P494 F495 D500 R504 L507	I415-L498 HydrophobicContact CB-CD1 4.45Å; I415-L498 HydrophobicContact CD1-CD2 3.93Å; I415-L498 HydrophobicContact CG2-CD1 3.55Å; I415-L498 HydrophobicContact CG2-CD2 3.82Å; I415-L498 HydrophobicContact CG2-CG 4.32Å; L443-L498 HydrophobicContact CD2-CD2 4.29Å; P494-L498 PolarHBondContact O-N 3.18Å; P494-L498 VanDerWaalsContact O-N 3.13Å; F495-L498 PolarHBondContact O-N 2.88Å; L498-D500 VanDerWaalsContact C-N 3.33Å; L498-R504 WeakPolarHBondContact O-CD 3.44Å; L498-R504 WeakPolarHBondContact O-CG 3.15Å; L498-R504 PolarHBondContact O-NH1 3.38Å; L498-L507 HydrophobicContact CD2-CD1 4.34Å
499	S	71.7	Confident	69.7	Low	57 Å²	57	50.5 Å²	50.5	40%	0.399	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-19	172.2	62.2	0	0	0	0	112.3	F495 T496 V497 P501 R504	F495-S499 VanDerWaalsContact O-CA 3.28Å; F495-S499 WeakPolarHBondContact O-CA 3.16Å; F495-S499 WeakPolarHBondContact O-CB 3.37Å; F495-S499 PolarHBondContact O-N 3.44Å; F495-S499 PolarHBondContact O-OG 3.27Å; T496-S499 PolarHBondContact O-OG 3.33Å; T496-S499 VanDerWaalsContact O-OG 3.11Å; V497-S499 PolarHBondContact O-N 3.14Å; S499-P501 VanDerWaalsContact O-CD 3.31Å; S499-P501 WeakPolarHBondContact O-CD 3.38Å; S499-R504 VanDerWaalsContact CA-NH1 3.3Å; S499-R504 PolarHBondContact O-NH1 2.86Å
500	D	82.9	Confident	72.4	Confident	82 Å²	82	45.7 Å²	45.7	44%	0.439	26%	0.263	S	S	.	.			trans	-68.3	118.5	174.8	-173.9	-88.6	0	0	0	110.6	L498 G502 L503 R504	L498-D500 VanDerWaalsContact C-N 3.33Å; D500-G502 VanDerWaalsContact C-N 3.35Å; D500-G502 PolarHBondContact O-N 3.37Å; D500-G502 WeakPolarHBondContact OD1-CA 3.37Å; D500-G502 PolarHBondContact OD1-N 2.78Å; D500-L503 HydrophobicContact CB-CB 3.91Å; D500-L503 PolarHBondContact O-N 2.98Å; D500-L503 PolarHBondContact OD1-N 3.13Å; D500-R504 WeakPolarHBondContact O-CG 3.37Å; D500-R504 PolarHBondContact O-N 3.33Å
501	P	85.4	Confident	75	Confident	50 Å²	50	41.7 Å²	41.7	33%	0.325	24%	0.238	S	C	.	.	H	α-helix	trans	-65.1	-35.5	-177.3	22.5	-30.7	0	0	0	113.8	T471 S499 F505	T471-P501 HydrophobicContact CG2-CB 3.77Å; S499-P501 VanDerWaalsContact O-CD 3.31Å; S499-P501 WeakPolarHBondContact O-CD 3.38Å; P501-F505 WeakPolarHBondContact O-CB 3.23Å; P501-F505 PolarHBondContact O-N 2.89Å
502	G	88.2	Confident	77.6	Confident	14 Å²	14	37.4 Å²	37.4	14%	0.144	22%	0.215	C	C	.	.	H	α-helix	trans	-71.4	-39.6	-179.3	0	0	0	0	0	111.7	M459 D500 F505 C506	M459-G502 WeakPolarHBondContact SD-CA 3.5Å; D500-G502 VanDerWaalsContact C-N 3.35Å; D500-G502 PolarHBondContact O-N 3.37Å; D500-G502 WeakPolarHBondContact OD1-CA 3.37Å; D500-G502 PolarHBondContact OD1-N 2.78Å; G502-F505 WeakPolarHBondContact O-CB 3.42Å; G502-F505 PolarHBondContact O-N 3.49Å; G502-C506 PolarHBondContact O-N 2.9Å; G502-C506 PolarHBondContact O-SG 2.87Å; G502-C506 VanDerWaalsContact O-SG 3.37Å
503	L	86.9	Confident	80.2	Confident	38 Å²	38	29.9 Å²	29.9	20%	0.199	18%	0.175	C	C	.	.	H	α-helix	trans	-60.4	-48.6	175	-159.2	74.2	0	0	0	111.6	I447 V497 D500 F505 C506 L507	I447-L503 HydrophobicContact CD1-CD1 3.2Å; I447-L503 HydrophobicContact CD1-CD2 4.46Å; I447-L503 HydrophobicContact CD1-CG 3.95Å; I447-L503 HydrophobicContact CG1-CD1 4.1Å; V497-L503 HydrophobicContact CG1-CD2 3.35Å; V497-L503 WeakPolarHBondContact O-CD2 3.31Å; D500-L503 HydrophobicContact CB-CB 3.91Å; D500-L503 PolarHBondContact O-N 2.98Å; D500-L503 PolarHBondContact OD1-N 3.13Å; L503-F505 VanDerWaalsContact C-N 3.33Å; L503-F505 PolarHBondContact O-N 2.97Å; L503-C506 PolarHBondContact O-N 3.43Å; L503-L507 HydrophobicContact CD2-CD1 4.29Å; L503-L507 HydrophobicContact CG-CD1 3.92Å; L503-L507 WeakPolarHBondContact O-CB 3.29Å; L503-L507 WeakPolarHBondContact O-CD1 3.42Å; L503-L507 VanDerWaalsContact O-CG 3.24Å; L503-L507 WeakPolarHBondContact O-CG 3.45Å; L503-L507 PolarHBondContact O-N 3.19Å
504	R	88.1	Confident	82.6	Confident	18 Å²	18	27.8 Å²	27.8	7%	0.068	16%	0.16	C	C	.	.	H	α-helix	trans	-58.7	-45.6	176.4	-71.5	-164.1	-59	-81.9	-1.1	111.7	I415 F476 L498 S499 D500 C506 L507 L508	I415-R504 HydrophobicContact CD1-CG 4.25Å; F476-R504 PolarHBondContact O-NE 3.47Å; L498-R504 WeakPolarHBondContact O-CD 3.44Å; L498-R504 WeakPolarHBondContact O-CG 3.15Å; L498-R504 PolarHBondContact O-NH1 3.38Å; S499-R504 VanDerWaalsContact CA-NH1 3.3Å; S499-R504 PolarHBondContact O-NH1 2.86Å; D500-R504 WeakPolarHBondContact O-CG 3.37Å; D500-R504 PolarHBondContact O-N 3.33Å; R504-C506 PolarHBondContact O-N 2.9Å; R504-L507 PolarHBondContact O-N 2.98Å; R504-L508 WeakPolarHBondContact O-CB 3.22Å; R504-L508 WeakPolarHBondContact O-CG 3.46Å; R504-L508 PolarHBondContact O-N 3.32Å
505	F	92.4	Very high	84.8	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-54.9	-52.2	175.9	172.7	-80.9	0	0	0	110.9	F400 V455 M459 M462 L467 L470 F476 P501 G502 L503 L507 T509	F400-F505 HydrophobicContact CD1-CE2 4.19Å; F400-F505 HydrophobicContact CD1-CZ 4.48Å; F400-F505 HydrophobicContact CE1-CD2 4.27Å; F400-F505 AromaticContact CE1-CE2 3.24Å; F400-F505 HydrophobicContact CE1-CE2 3.24Å; F400-F505 AromaticContact CE1-CZ 3.66Å; F400-F505 HydrophobicContact CE1-CZ 3.66Å; F400-F505 HydrophobicContact CE2-CE2 4.18Å; F400-F505 AromaticContact CE2-CZ 3.72Å; F400-F505 HydrophobicContact CE2-CZ 3.72Å; F400-F505 HydrophobicContact CZ-CD2 4.25Å; F400-F505 HydrophobicContact CZ-CE1 4.24Å; F400-F505 AromaticContact CZ-CE2 3.24Å; F400-F505 HydrophobicContact CZ-CE2 3.24Å; F400-F505 AromaticContact CZ-CZ 3.21Å; F400-F505 HydrophobicContact CZ-CZ 3.21Å; V455-F505 HydrophobicContact CG1-CD1 4.29Å; V455-F505 HydrophobicContact CG1-CE1 3.9Å; M459-F505 HydrophobicContact CB-CD1 3.88Å; M459-F505 HydrophobicContact CB-CE1 3.61Å; M459-F505 HydrophobicContact CB-CZ 4.34Å; M459-F505 HydrophobicContact CG-CD1 3.73Å; M459-F505 HydrophobicContact CG-CE1 3.85Å; M459-F505 HydrophobicContact CG-CG 4.29Å; M459-F505 HydrophobicContact CG-CZ 4.44Å; M459-F505 HydrophobicContact SD-CB 4.07Å; M459-F505 HydrophobicContact SD-CD1 3.56Å; M459-F505 VanDerWaalsContact SD-CD1 3.56Å; M459-F505 HydrophobicContact SD-CE1 4.28Å; M459-F505 HydrophobicContact SD-CG 3.96Å; M462-F505 HydrophobicContact CE-CE2 4.11Å; M462-F505 HydrophobicContact CE-CZ 3.88Å; L467-F505 HydrophobicContact CD1-CD2 4.36Å; L470-F505 HydrophobicContact CD1-CE2 4.08Å; F476-F505 HydrophobicContact CD1-CD2 4.45Å; F476-F505 AromaticContact CD2-CD2 3.97Å; F476-F505 HydrophobicContact CD2-CD2 3.97Å; F476-F505 HydrophobicContact CE2-CD2 4.14Å; F476-F505 HydrophobicContact CE2-CE2 4.31Å; F476-F505 HydrophobicContact CG-CD2 4.15Å; F476-F505 HydrophobicContact CZ-CD2 4.43Å; P501-F505 WeakPolarHBondContact O-CB 3.23Å; P501-F505 PolarHBondContact O-N 2.89Å; G502-F505 WeakPolarHBondContact O-CB 3.42Å; G502-F505 PolarHBondContact O-N 3.49Å; L503-F505 VanDerWaalsContact C-N 3.33Å; L503-F505 PolarHBondContact O-N 2.97Å; F505-L507 PolarHBondContact O-N 3.12Å; F505-T509 VanDerWaalsContact O-CB 3.23Å; F505-T509 WeakPolarHBondContact O-CB 3.43Å; F505-T509 PolarHBondContact O-N 3.1Å; F505-T509 PolarHBondContact O-OG1 3.26Å
506	C	93.6	Very high	86.9	Confident	5 Å²	5	22.4 Å²	22.4	3%	0.034	14%	0.135	C	C	.	.	H	α-helix	trans	-62.5	-46.8	-177.2	-71.3	0	0	0	0	111.9	V455 T456 G502 L503 R504 A510	V455-C506 HydrophobicContact CG1-CB 4.25Å; T456-C506 PolarHBondContact OG1-SG 3.49Å; T456-C506 VanDerWaalsContact OG1-SG 3.33Å; G502-C506 PolarHBondContact O-N 2.9Å; G502-C506 PolarHBondContact O-SG 2.87Å; G502-C506 VanDerWaalsContact O-SG 3.37Å; L503-C506 PolarHBondContact O-N 3.43Å; R504-C506 PolarHBondContact O-N 2.9Å; C506-A510 WeakPolarHBondContact O-CB 3.09Å; C506-A510 PolarHBondContact O-N 3.07Å
507	L	91.8	Very high	88.6	Confident	1 Å²	1	16.6 Å²	16.6	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-62.7	-49.3	-178.3	-72.8	163.8	0	0	0	112.4	F340 I415 L443 L446 I447 L498 L503 R504 F505 S511	F340-L507 HydrophobicContact CE1-CB 4.32Å; F340-L507 HydrophobicContact CZ-CB 4.38Å; I415-L507 HydrophobicContact CD1-CB 4.13Å; I415-L507 HydrophobicContact CD1-CD1 3.95Å; L443-L507 HydrophobicContact CD2-CD1 3.31Å; L443-L507 HydrophobicContact CD2-CD2 3.66Å; L443-L507 HydrophobicContact CD2-CG 4.11Å; L446-L507 HydrophobicContact CB-CD2 4Å; L446-L507 HydrophobicContact CD1-CD2 4.21Å; I447-L507 HydrophobicContact CD1-CD2 4.01Å; I447-L507 HydrophobicContact CD1-CG 4.3Å; I447-L507 HydrophobicContact CG1-CD2 3.8Å; I447-L507 HydrophobicContact CG1-CG 4.21Å; L498-L507 HydrophobicContact CD2-CD1 4.34Å; L503-L507 HydrophobicContact CD2-CD1 4.29Å; L503-L507 HydrophobicContact CG-CD1 3.92Å; L503-L507 WeakPolarHBondContact O-CB 3.29Å; L503-L507 WeakPolarHBondContact O-CD1 3.42Å; L503-L507 VanDerWaalsContact O-CG 3.24Å; L503-L507 WeakPolarHBondContact O-CG 3.45Å; L503-L507 PolarHBondContact O-N 3.19Å; R504-L507 PolarHBondContact O-N 2.98Å; F505-L507 PolarHBondContact O-N 3.12Å; L507-S511 VanDerWaalsContact O-CB 3.23Å; L507-S511 WeakPolarHBondContact O-CB 3.29Å; L507-S511 PolarHBondContact O-N 3.44Å; L507-S511 PolarHBondContact O-OG 3.43Å
508	L	93.9	Very high	90.4	Very high	12 Å²	12	14.2 Å²	14.2	6%	0.063	9%	0.085	C	C	.	.	H	α-helix	trans	-68.1	-39	-178.1	-70.9	177.8	0	0	0	111.6	F340 F411 F413 I415 F476 R504 S511 F512	F340-L508 HydrophobicContact CD1-CD2 4.11Å; F340-L508 HydrophobicContact CE1-CD2 4.17Å; F411-L508 HydrophobicContact CD1-CB 4.02Å; F411-L508 HydrophobicContact CE1-CB 4.33Å; F411-L508 WeakPolarHBondContact CE1-O 3.23Å; F413-L508 HydrophobicContact CB-CD2 3.92Å; F413-L508 WeakPolarHBondContact O-CD2 3.25Å; I415-L508 HydrophobicContact CD1-CD2 4.35Å; I415-L508 HydrophobicContact CD1-CG 4.21Å; I415-L508 HydrophobicContact CG1-CD2 3.71Å; I415-L508 HydrophobicContact CG1-CG 4.06Å; F476-L508 HydrophobicContact CD1-CB 3.95Å; F476-L508 HydrophobicContact CD1-CD1 3.93Å; F476-L508 HydrophobicContact CE1-CB 3.8Å; R504-L508 WeakPolarHBondContact O-CB 3.22Å; R504-L508 WeakPolarHBondContact O-CG 3.46Å; R504-L508 PolarHBondContact O-N 3.32Å; L508-S511 WeakPolarHBondContact CA-OG 3.45Å; L508-S511 PolarHBondContact O-OG 2.81Å; L508-S511 VanDerWaalsContact O-OG 3.12Å; L508-F512 VanDerWaalsContact O-CB 3.27Å; L508-F512 WeakPolarHBondContact O-CB 3.42Å; L508-F512 PolarHBondContact O-N 3.2Å
509	T	96.7	Very high	91.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-67.9	-48.6	178.1	-56.6	0	0	0	0	111.2	L396 F400 V455 F505 F512 L513	L396-T509 HydrophobicContact CD2-CG2 3.6Å; F400-T509 HydrophobicContact CE2-CG2 3.81Å; F400-T509 HydrophobicContact CZ-CG2 4.04Å; V455-T509 HydrophobicContact CG1-CG2 3.94Å; V455-T509 HydrophobicContact CG2-CG2 4.23Å; F505-T509 VanDerWaalsContact O-CB 3.23Å; F505-T509 WeakPolarHBondContact O-CB 3.43Å; F505-T509 PolarHBondContact O-N 3.1Å; F505-T509 PolarHBondContact O-OG1 3.26Å; T509-F512 PolarHBondContact O-N 2.88Å; T509-L513 HydrophobicContact CG2-CD1 4.41Å; T509-L513 WeakPolarHBondContact O-CG 3.34Å; T509-L513 PolarHBondContact O-N 3.29Å
510	A	96.7	Very high	92.1	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-63	-44	178.5	0	0	0	0	0	111.4	L451 V455 C506 F512 L513 L514	L451-A510 HydrophobicContact CD2-CB 4.35Å; L451-A510 HydrophobicContact CG-CB 4.42Å; V455-A510 HydrophobicContact CG2-CB 4.47Å; C506-A510 WeakPolarHBondContact O-CB 3.09Å; C506-A510 PolarHBondContact O-N 3.07Å; A510-F512 PolarHBondContact O-N 2.71Å; A510-L513 PolarHBondContact O-N 3.08Å; A510-L514 WeakPolarHBondContact O-CB 3.45Å; A510-L514 WeakPolarHBondContact O-CD1 3.37Å; A510-L514 VanDerWaalsContact O-CG 3.26Å; A510-L514 WeakPolarHBondContact O-CG 3.38Å; A510-L514 PolarHBondContact O-N 3.22Å
511	S	95.2	Very high	92.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.1	-39.3	178	67.3	0	0	0	0	112.1	L507 L508 L514 A515	L507-S511 VanDerWaalsContact O-CB 3.23Å; L507-S511 WeakPolarHBondContact O-CB 3.29Å; L507-S511 PolarHBondContact O-N 3.44Å; L507-S511 PolarHBondContact O-OG 3.43Å; L508-S511 WeakPolarHBondContact CA-OG 3.45Å; L508-S511 PolarHBondContact O-OG 2.81Å; L508-S511 VanDerWaalsContact O-OG 3.12Å; S511-L514 PolarHBondContact O-N 3.43Å; S511-A515 WeakPolarHBondContact O-CB 3.24Å; S511-A515 PolarHBondContact O-N 3.07Å
512	F	96.4	Very high	91.8	Very high	1 Å²	1	14.1 Å²	14.1	0%	0.004	8%	0.075	C	C	.	.	H	α-helix	trans	-59	-51.1	173	175.8	-99.8	0	0	0	112.3	L399 F411 F412 F413 L508 T509 A510 L514 A515 F516	L399-F512 HydrophobicContact CD1-CE1 4.14Å; L399-F512 HydrophobicContact CD2-CD1 4.05Å; L399-F512 HydrophobicContact CD2-CE1 4.03Å; F411-F512 HydrophobicContact CE1-CB 3.52Å; F411-F512 HydrophobicContact CE1-CD2 4.31Å; F411-F512 AromaticContact CE1-CG 3.91Å; F411-F512 HydrophobicContact CE1-CG 3.91Å; F411-F512 HydrophobicContact CZ-CB 3.73Å; F411-F512 AromaticContact CZ-CD1 3.93Å; F411-F512 HydrophobicContact CZ-CD1 3.93Å; F411-F512 HydrophobicContact CZ-CD2 4.12Å; F411-F512 AromaticContact CZ-CG 3.65Å; F411-F512 HydrophobicContact CZ-CG 3.65Å; F412-F512 HydrophobicContact CB-CD2 3.97Å; F412-F512 HydrophobicContact CB-CE2 4.18Å; F412-F512 HydrophobicContact CD1-CE2 4.47Å; F412-F512 AromaticContact CD2-CD2 3.64Å; F412-F512 HydrophobicContact CD2-CD2 3.64Å; F412-F512 AromaticContact CD2-CE2 3.24Å; F412-F512 HydrophobicContact CD2-CE2 3.24Å; F412-F512 AromaticContact CD2-CZ 3.94Å; F412-F512 HydrophobicContact CD2-CZ 3.94Å; F412-F512 HydrophobicContact CE2-CD2 4.45Å; F412-F512 AromaticContact CE2-CE2 3.67Å; F412-F512 HydrophobicContact CE2-CE2 3.67Å; F412-F512 AromaticContact CE2-CZ 3.94Å; F412-F512 HydrophobicContact CE2-CZ 3.94Å; F412-F512 AromaticContact CG-CD2 3.99Å; F412-F512 HydrophobicContact CG-CD2 3.99Å; F412-F512 AromaticContact CG-CE2 3.7Å; F412-F512 HydrophobicContact CG-CE2 3.7Å; F412-F512 HydrophobicContact CZ-CE2 4.45Å; F413-F512 HydrophobicContact CD2-CB 4.26Å; F413-F512 HydrophobicContact CE2-CB 4.22Å; F413-F512 HydrophobicContact CE2-CD2 4.48Å; L508-F512 VanDerWaalsContact O-CB 3.27Å; L508-F512 WeakPolarHBondContact O-CB 3.42Å; L508-F512 PolarHBondContact O-N 3.2Å; T509-F512 PolarHBondContact O-N 2.88Å; A510-F512 PolarHBondContact O-N 2.71Å; F512-L514 VanDerWaalsContact C-N 3.31Å; F512-L514 PolarHBondContact O-N 2.95Å; F512-A515 PolarHBondContact O-N 3.31Å; F512-F516 HydrophobicContact CE1-CD2 4.38Å; F512-F516 AromaticContact CE2-CD2 3.68Å; F512-F516 HydrophobicContact CE2-CD2 3.68Å; F512-F516 HydrophobicContact CE2-CE2 4.25Å; F512-F516 AromaticContact CZ-CD2 3.59Å; F512-F516 HydrophobicContact CZ-CD2 3.59Å; F512-F516 HydrophobicContact CZ-CE2 4.01Å; F512-F516 VanDerWaalsContact O-CB 3.3Å; F512-F516 WeakPolarHBondContact O-CB 3.41Å; F512-F516 PolarHBondContact O-N 3.47Å
513	L	97.3	Very high	90.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.2	-38.4	-180	-68.9	175.6	0	0	0	112.3	W373 W392 L396 L399 L451 T509 A510 Y518 M548 T552	W373-L513 HydrophobicContact CH2-CD2 4.36Å; W373-L513 HydrophobicContact CZ2-CD2 4.13Å; W392-L513 HydrophobicContact CE3-CD1 4.33Å; W392-L513 HydrophobicContact CZ3-CB 4.26Å; W392-L513 HydrophobicContact CZ3-CD1 4.12Å; L396-L513 HydrophobicContact CD2-CD1 3.8Å; L396-L513 HydrophobicContact CG-CD1 4.37Å; L399-L513 HydrophobicContact CD2-CD2 4.49Å; L451-L513 HydrophobicContact CD1-CD1 4.26Å; L451-L513 HydrophobicContact CD2-CB 4.2Å; T509-L513 HydrophobicContact CG2-CD1 4.41Å; T509-L513 WeakPolarHBondContact O-CG 3.34Å; T509-L513 PolarHBondContact O-N 3.29Å; A510-L513 PolarHBondContact O-N 3.08Å; L513-Y518 VanDerWaalsContact O-CE2 3.25Å; L513-Y518 WeakPolarHBondContact O-CE2 3.14Å; L513-Y518 PolarHBondContact O-OH 3.34Å; L513-M548 HydrophobicContact CD2-CE 4.43Å; L513-T552 VanDerWaalsContact O-CG2 3.31Å; L513-T552 WeakPolarHBondContact O-CG2 3.4Å
514	L	96.9	Very high	88.7	Confident	5 Å²	5	21.1 Å²	21.1	3%	0.026	12%	0.115	C	C	.	.	H	α-helix	trans	-78.1	-34.5	-179.4	-67.4	165.8	0	0	0	113.6	L446 L451 A510 S511 F512 V555 L557 L565 R569	L446-L514 HydrophobicContact CD2-CD1 3.79Å; L451-L514 HydrophobicContact CD2-CD1 3.93Å; L451-L514 HydrophobicContact CD2-CD2 3.77Å; L451-L514 HydrophobicContact CD2-CG 3.55Å; A510-L514 WeakPolarHBondContact O-CB 3.45Å; A510-L514 WeakPolarHBondContact O-CD1 3.37Å; A510-L514 VanDerWaalsContact O-CG 3.26Å; A510-L514 WeakPolarHBondContact O-CG 3.38Å; A510-L514 PolarHBondContact O-N 3.22Å; S511-L514 PolarHBondContact O-N 3.43Å; F512-L514 VanDerWaalsContact C-N 3.31Å; F512-L514 PolarHBondContact O-N 2.95Å; L514-V555 HydrophobicContact CD2-CB 3.98Å; L514-V555 HydrophobicContact CD2-CG1 4.37Å; L514-V555 HydrophobicContact CD2-CG2 3.84Å; L514-L557 HydrophobicContact CD1-CD1 3.84Å; L514-L565 HydrophobicContact CB-CD1 3.89Å; L514-L565 HydrophobicContact CB-CD2 4.18Å; L514-L565 HydrophobicContact CD1-CD1 3.83Å; L514-L565 HydrophobicContact CG-CD1 4.46Å; L514-R569 PolarHBondContact O-NH2 3.29Å
515	A	95.5	Very high	86.4	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-97.5	-2.9	-175.9	0	0	0	0	0	113.5	F413 S511 F512 L565 L568 R569	F413-A515 HydrophobicContact CE2-CB 3.96Å; F413-A515 HydrophobicContact CZ-CB 4.12Å; S511-A515 WeakPolarHBondContact O-CB 3.24Å; S511-A515 PolarHBondContact O-N 3.07Å; F512-A515 PolarHBondContact O-N 3.31Å; A515-L565 HydrophobicContact CB-CB 4.44Å; A515-L565 HydrophobicContact CB-CD2 4.17Å; A515-L565 WeakPolarHBondContact CB-O 3.32Å; A515-L568 HydrophobicContact CB-CB 3.82Å; A515-L568 HydrophobicContact CB-CD1 4.45Å; A515-R569 HydrophobicContact CB-CB 4.31Å; A515-R569 WeakPolarHBondContact O-CA 3.38Å; A515-R569 WeakPolarHBondContact O-CB 3.31Å; A515-R569 VanDerWaalsContact O-CG 3.27Å; A515-R569 WeakPolarHBondContact O-CG 3.33Å
516	F	96.2	Very high	83.9	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-60.7	133.8	174.9	-169.1	-93.1	0	0	0	110.7	V370 W373 V374 L377 F512 Y518 F521 L572 M576	V370-F516 HydrophobicContact CG1-CE2 4.39Å; V370-F516 HydrophobicContact CG1-CZ 4.3Å; W373-F516 AromaticContact CD1-CE1 3.87Å; W373-F516 AromaticContact CD1-CE2 3.68Å; W373-F516 AromaticContact CD1-CZ 3.51Å; W373-F516 AromaticContact NE1-CD1 3.94Å; W373-F516 AromaticContact NE1-CE1 3.86Å; W373-F516 AromaticContact NE1-CZ 3.92Å; V374-F516 HydrophobicContact CG2-CE1 4.46Å; V374-F516 HydrophobicContact CG2-CZ 4.01Å; L377-F516 HydrophobicContact CD1-CE1 4.27Å; F512-F516 HydrophobicContact CE1-CD2 4.38Å; F512-F516 AromaticContact CE2-CD2 3.68Å; F512-F516 HydrophobicContact CE2-CD2 3.68Å; F512-F516 HydrophobicContact CE2-CE2 4.25Å; F512-F516 AromaticContact CZ-CD2 3.59Å; F512-F516 HydrophobicContact CZ-CD2 3.59Å; F512-F516 HydrophobicContact CZ-CE2 4.01Å; F512-F516 VanDerWaalsContact O-CB 3.3Å; F512-F516 WeakPolarHBondContact O-CB 3.41Å; F512-F516 PolarHBondContact O-N 3.47Å; F516-Y518 VanDerWaalsContact C-N 3.3Å; F516-Y518 HydrophobicContact CB-CE1 4.12Å; F516-Y518 HydrophobicContact CB-CE2 3.9Å; F516-Y518 AromaticContact CD1-CD1 3.57Å; F516-Y518 HydrophobicContact CD1-CD1 3.57Å; F516-Y518 AromaticContact CD1-CE1 3.49Å; F516-Y518 HydrophobicContact CD1-CE1 3.49Å; F516-Y518 VanDerWaalsContact CD1-CE1 3.49Å; F516-Y518 HydrophobicContact CD1-CE2 4.44Å; F516-Y518 HydrophobicContact CD1-CG 4.11Å; F516-Y518 AromaticContact CD1-CZ 3.97Å; F516-Y518 HydrophobicContact CE1-CD1 4.21Å; F516-Y518 HydrophobicContact CE1-CE1 4.31Å; F516-Y518 HydrophobicContact CG-CE1 4.15Å; F516-Y518 WeakPolarHBondContact O-CD2 3.41Å; F516-Y518 WeakPolarHBondContact O-CE2 3.49Å; F516-Y518 PolarHBondContact O-N 3.17Å; F516-F521 AromaticContact CE1-CD2 3.92Å; F516-F521 HydrophobicContact CE1-CD2 3.92Å; F516-F521 AromaticContact CE1-CE2 3.64Å; F516-F521 HydrophobicContact CE1-CE2 3.64Å; F516-F521 HydrophobicContact CZ-CD2 4.42Å; F516-F521 AromaticContact CZ-CE2 3.75Å; F516-F521 HydrophobicContact CZ-CE2 3.75Å; F516-F521 HydrophobicContact CZ-CZ 4.42Å; F516-L572 HydrophobicContact CD2-CD2 4.49Å; F516-M576 HydrophobicContact CE2-CE 4.4Å; F516-M576 HydrophobicContact CZ-CE 4.35Å
517	P	93.2	Very high	81.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.			trans	-82.4	70.3	-173.7	33.3	-36.5	0	0	0	112	D519 N520 R569 Q573 M576	P517-D519 PolarHBondContact O-N 3Å; P517-N520 WeakPolarHBondContact O-CB 3.34Å; P517-N520 PolarHBondContact O-N 2.8Å; P517-N520 VanDerWaalsContact O-N 3.09Å; P517-R569 HydrophobicContact CB-CG 4.04Å; P517-Q573 HydrophobicContact CB-CB 3.82Å; P517-Q573 HydrophobicContact CB-CG 4.3Å; P517-Q573 HydrophobicContact CG-CB 4.21Å; P517-M576 HydrophobicContact CG-SD 3.68Å
518	Y	93	Very high	78.2	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.016	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-54.4	-35.8	-177.6	-60	-72.7	0	0	0	113.7	L377 L513 F516 N520 F521 L545 M548 T552	L377-Y518 HydrophobicContact CD1-CD1 3.96Å; L377-Y518 HydrophobicContact CD1-CE1 3.89Å; L377-Y518 HydrophobicContact CD2-CE1 4.5Å; L513-Y518 VanDerWaalsContact O-CE2 3.25Å; L513-Y518 WeakPolarHBondContact O-CE2 3.14Å; L513-Y518 PolarHBondContact O-OH 3.34Å; F516-Y518 VanDerWaalsContact C-N 3.3Å; F516-Y518 HydrophobicContact CB-CE1 4.12Å; F516-Y518 HydrophobicContact CB-CE2 3.9Å; F516-Y518 AromaticContact CD1-CD1 3.57Å; F516-Y518 HydrophobicContact CD1-CD1 3.57Å; F516-Y518 AromaticContact CD1-CE1 3.49Å; F516-Y518 HydrophobicContact CD1-CE1 3.49Å; F516-Y518 VanDerWaalsContact CD1-CE1 3.49Å; F516-Y518 HydrophobicContact CD1-CE2 4.44Å; F516-Y518 HydrophobicContact CD1-CG 4.11Å; F516-Y518 AromaticContact CD1-CZ 3.97Å; F516-Y518 HydrophobicContact CE1-CD1 4.21Å; F516-Y518 HydrophobicContact CE1-CE1 4.31Å; F516-Y518 HydrophobicContact CG-CE1 4.15Å; F516-Y518 WeakPolarHBondContact O-CD2 3.41Å; F516-Y518 WeakPolarHBondContact O-CE2 3.49Å; F516-Y518 PolarHBondContact O-N 3.17Å; Y518-N520 PolarHBondContact O-N 3.38Å; Y518-N520 VanDerWaalsContact O-N 3.14Å; Y518-F521 PolarHBondContact O-N 3.34Å; Y518-L545 HydrophobicContact CD1-CD1 3.82Å; Y518-L545 HydrophobicContact CG-CD1 4.35Å; Y518-M548 HydrophobicContact CD1-CB 4.5Å; Y518-M548 HydrophobicContact CD1-CG 3.96Å; Y518-M548 HydrophobicContact CE1-CB 4.18Å; Y518-M548 HydrophobicContact CE1-CG 3.24Å; Y518-M548 HydrophobicContact CE2-CG 4.12Å; Y518-M548 WeakPolarHBondContact OH-CG 3.44Å; Y518-T552 HydrophobicContact CE2-CG2 3.75Å
519	D	88.7	Confident	75.2	Confident	75 Å²	75	53 Å²	53	40%	0.401	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-58.1	-27.1	179.5	-65.7	-51.7	0	0	0	113.6	P517 F521 K549	P517-D519 PolarHBondContact O-N 3Å; D519-F521 PolarHBondContact O-N 3.15Å; D519-F521 VanDerWaalsContact O-N 3.14Å; D519-K549 VanDerWaalsContact OD1-CE 3.28Å; D519-K549 WeakPolarHBondContact OD1-CE 3.21Å; D519-K549 IonicContact OD1-NZ 2.67Å; D519-K549 PolarHBondContact OD1-NZ 3.16Å
520	N	85.6	Confident	72.4	Confident	32 Å²	32	58.5 Å²	58.5	17%	0.171	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-62.5	-20.2	176.7	-85.6	3.5	0	0	0	113.8	P517 Y518 Q573 N577	P517-N520 WeakPolarHBondContact O-CB 3.34Å; P517-N520 PolarHBondContact O-N 2.8Å; P517-N520 VanDerWaalsContact O-N 3.09Å; Y518-N520 PolarHBondContact O-N 3.38Å; Y518-N520 VanDerWaalsContact O-N 3.14Å; N520-Q573 WeakPolarHBondContact OD1-CG 3.45Å; N520-Q573 PolarHBondContact OD1-NE2 2.87Å; N520-N577 PolarHBondContact ND2-OD1 3.45Å
521	F	83.6	Confident	69.5	Low	36 Å²	36	63.1 Å²	63.1	16%	0.158	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-114.8	-2.1	-169.2	-56.5	-73	0	0	0	113.2	V374 F516 Y518 D519 S523 L545 M576	V374-F521 HydrophobicContact CB-CD1 4.38Å; V374-F521 HydrophobicContact CB-CE1 4.46Å; V374-F521 HydrophobicContact CG1-CB 4.34Å; V374-F521 HydrophobicContact CG1-CD1 3.52Å; V374-F521 HydrophobicContact CG1-CE1 3.96Å; V374-F521 HydrophobicContact CG1-CG 3.96Å; V374-F521 HydrophobicContact CG2-CD1 3.87Å; V374-F521 HydrophobicContact CG2-CD2 4.08Å; V374-F521 HydrophobicContact CG2-CE1 3.66Å; V374-F521 HydrophobicContact CG2-CE2 3.88Å; V374-F521 HydrophobicContact CG2-CG 4.07Å; V374-F521 HydrophobicContact CG2-CZ 3.66Å; F516-F521 AromaticContact CE1-CD2 3.92Å; F516-F521 HydrophobicContact CE1-CD2 3.92Å; F516-F521 AromaticContact CE1-CE2 3.64Å; F516-F521 HydrophobicContact CE1-CE2 3.64Å; F516-F521 HydrophobicContact CZ-CD2 4.42Å; F516-F521 AromaticContact CZ-CE2 3.75Å; F516-F521 HydrophobicContact CZ-CE2 3.75Å; F516-F521 HydrophobicContact CZ-CZ 4.42Å; Y518-F521 PolarHBondContact O-N 3.34Å; D519-F521 PolarHBondContact O-N 3.15Å; D519-F521 VanDerWaalsContact O-N 3.14Å; F521-S523 PolarHBondContact O-N 3.46Å; F521-L545 VanDerWaalsContact C-CD2 3.48Å; F521-L545 HydrophobicContact CB-CD1 4.46Å; F521-L545 HydrophobicContact CB-CD2 3.96Å; F521-L545 WeakPolarHBondContact O-CD2 3.29Å; F521-M576 HydrophobicContact CE2-CE 4.12Å; F521-M576 HydrophobicContact CZ-CE 3.62Å
522	I	77.5	Confident	66.8	Low	54 Å²	54	67.9 Å²	67.9	28%	0.277	37%	0.371	S	S	.	.			trans	-75.7	110.4	174.7	-60.2	176.2	0	0	0	107.7	N524 L545 K549	I522-N524 PolarHBondContact O-N 3.32Å; I522-L545 HydrophobicContact CB-CD2 4.34Å; I522-L545 HydrophobicContact CG1-CD2 3.6Å; I522-L545 HydrophobicContact CG1-CG 4.05Å; I522-K549 HydrophobicContact CD1-CD 3.79Å
523	S	61.3	Low	63.9	Low	70 Å²	70	73.5 Å²	73.5	49%	0.49	41%	0.41	S	S	.	.			trans	-66.7	124	174.9	-63.1	0	0	0	0	110.6	F521 H525 L526	F521-S523 PolarHBondContact O-N 3.46Å; S523-H525 PolarHBondContact O-N 2.96Å; S523-L526 PolarHBondContact O-N 2.97Å
524	N	48.9	Very low	61	Low	129 Å²	129	78.5 Å²	78.5	69%	0.69	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-58.3	-17.2	169.4	-79.3	-18.7	0	0	0	113.2	I522 L526 L527	I522-N524 PolarHBondContact O-N 3.32Å; N524-L526 PolarHBondContact O-N 3.48Å; N524-L526 VanDerWaalsContact O-N 3.1Å; N524-L527 PolarHBondContact O-N 3.19Å
525	H	40	Very low	57.9	Low	161 Å²	161	88.4 Å²	88.4	75%	0.745	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-61.2	-17.7	180	-120	-69.6	0	0	0	114	S523 L527	S523-H525 PolarHBondContact O-N 2.96Å; H525-L527 VanDerWaalsContact C-N 3.33Å
526	L	39	Very low	55	Low	126 Å²	126	95.6 Å²	95.6	66%	0.66	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-80.6	-8.4	174.1	-70.5	170.5	0	0	0	113.9	S523 N524	S523-L526 PolarHBondContact O-N 2.97Å; N524-L526 PolarHBondContact O-N 3.48Å; N524-L526 VanDerWaalsContact O-N 3.1Å
527	L	36.3	Very low	52	Low	141 Å²	141	101.4 Å²	101.4	74%	0.738	56%	0.561	S	S	*	*	S	Bend	trans	-99.7	-10.7	-179.5	-71.9	171.2	0	0	0	114.4	N524 H525	N524-L527 PolarHBondContact O-N 3.19Å; H525-L527 VanDerWaalsContact C-N 3.33Å
528	F	30.5	Very low	49.4	Very low	178 Å²	178	106.8 Å²	106.8	78%	0.781	60%	0.598	S	S	*	*	S	Bend	trans	-121	1.3	-171.2	-93.5	-77.6	0	0	0	117	S530	F528-S530 VanDerWaalsContact C-N 3.29Å; F528-S530 PolarHBondContact O-N 3.43Å
529	D	30.4	Very low	47.1	Very low	99 Å²	99	110.7 Å²	110.7	53%	0.529	63%	0.626	S	S	.	*			trans	-88.6	68.8	176.9	-138.8	-16.9	0	0	0	112.1	S531	D529-S531 PolarHBondContact O-N 3.35Å; D529-S531 PolarHBondContact OD1-OG 3.2Å
530	S	37.7	Very low	45.4	Very low	116 Å²	116	114 Å²	114	81%	0.811	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	6	170.3	54.5	0	0	0	0	113.1	F528	F528-S530 VanDerWaalsContact C-N 3.29Å; F528-S530 PolarHBondContact O-N 3.43Å
531	S	37.1	Very low	43.9	Very low	98 Å²	98	115.5 Å²	115.5	69%	0.685	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-6.8	-176.8	78.9	0	0	0	0	115.2	D529	D529-S531 PolarHBondContact O-N 3.35Å; D529-S531 PolarHBondContact OD1-OG 3.2Å
532	V	37.3	Very low	43.1	Very low	100 Å²	100	115.6 Å²	115.6	61%	0.606	67%	0.665	S	S	*	*			trans	-113.8	52.1	178.2	-164	0	0	0	0	111.1
533	S	36.4	Very low	43.3	Very low	119 Å²	119	113.9 Å²	113.9	83%	0.832	66%	0.658	S	S	*	*			trans	-95	26.5	178.4	-150.9	0	0	0	0	114.2
534	S	35.1	Very low	44.6	Very low	106 Å²	106	112.3 Å²	112.3	74%	0.741	64%	0.641	S	S	*	*	S	Bend	trans	-136.3	6.6	-178.5	65.7	0	0	0	0	118.1
535	R	31.8	Very low	46.6	Very low	213 Å²	213	106.5 Å²	106.5	80%	0.804	61%	0.61	S	S	*	*	S	Bend	trans	-143.2	133.6	169.9	-61.5	-174.9	-165.1	-152.8	2.5	110.4
536	L	34.4	Very low	48.8	Very low	151 Å²	151	102.9 Å²	102.9	79%	0.791	59%	0.594	S	S	*	*			trans	95.9	63	177.2	-52.9	165	0	0	0	115.7	S538	L536-S538 VanDerWaalsContact C-N 3.35Å; L536-S538 PolarHBondContact O-N 3.21Å
537	S	33.2	Very low	51.2	Low	121 Å²	121	97.4 Å²	97.4	85%	0.846	57%	0.565	S	S	*	*	S	Bend	trans	-66.3	93.4	141.6	53.6	0	0	0	0	109.4
538	S	39.3	Very low	53.8	Low	113 Å²	113	90.7 Å²	90.7	79%	0.79	53%	0.53	S	S	*	.	S	Bend	trans	148	58	153.4	71.8	0	0	0	0	113.4	L536	L536-S538 VanDerWaalsContact C-N 3.35Å; L536-S538 PolarHBondContact O-N 3.21Å
539	S	45	Very low	56.7	Low	86 Å²	86	84.9 Å²	84.9	60%	0.601	50%	0.504	S	S	*	.			trans	-161.5	88.6	154.8	58.8	0	0	0	0	108.5	C541	S539-C541 PolarHBondContact O-N 2.95Å
540	T	52	Low	59.5	Low	144 Å²	144	86.1 Å²	86.1	88%	0.883	51%	0.505	S	S	*	.			trans	-70.2	60.4	164	47	0	0	0	0	108.9	V542	T540-V542 PolarHBondContact O-N 3.16Å; T540-V542 VanDerWaalsContact O-N 3.1Å
541	C	54.9	Low	62.1	Low	64 Å²	64	81.5 Å²	81.5	43%	0.432	47%	0.471	S	S	.	.			trans	-75.4	100.6	174.3	-123.1	0	0	0	0	107.1	D380 S539	D380-C541 HydrophobicContact CB-CB 4.35Å; D380-C541 WeakPolarHBondContact CB-SG 3.3Å; S539-C541 PolarHBondContact O-N 2.95Å
542	V	67.7	Low	64.8	Low	38 Å²	38	77.3 Å²	77.3	23%	0.23	44%	0.441	C	S	.	.			trans	-84.2	128.2	171.9	-176.9	0	0	0	0	106.3	T540 Q546 I547	T540-V542 PolarHBondContact O-N 3.16Å; T540-V542 VanDerWaalsContact O-N 3.1Å; V542-Q546 HydrophobicContact CG1-CB 3.76Å; V542-I547 HydrophobicContact CB-CD1 4.3Å; V542-I547 HydrophobicContact CB-CG1 4.14Å; V542-I547 HydrophobicContact CG1-CD1 4.36Å; V542-I547 HydrophobicContact CG1-CG1 3.65Å
543	S	79.9	Confident	67.4	Low	19 Å²	19	78.1 Å²	78.1	13%	0.133	44%	0.438	C	S	.	.	B	Isolated β-bridge	trans	-62.6	142.7	179.3	65.7	0	0	0	0	110.2	L545 Q546 I547	S543-L545 PolarHBondContact O-N 3.31Å; S543-Q546 PolarHBondContact O-N 3.44Å; S543-Q546 WeakPolarHBondContact OG-CG 2.97Å; S543-Q546 PolarHBondContact OG-N 3.45Å; S543-I547 PolarHBondContact O-N 3.28Å
544	R	90.1	Very high	70	Confident	36 Å²	36	77.2 Å²	77.2	14%	0.136	42%	0.424	C	S	.	.	H	α-helix	trans	-52	-33.6	176.3	-73.8	-174.9	172.7	97.1	-0.3	111.6	W376 L377 C379 D380 F391 E394 I547 M548	W376-R544 VanDerWaalsContact CE2-CD 3.49Å; W376-R544 VanDerWaalsContact CZ2-CD 3.5Å; W376-R544 WeakPolarHBondContact O-CD 3.3Å; L377-R544 CarbonylContact O-C 3.4Å; L377-R544 WeakPolarHBondContact O-CB 3.48Å; C379-R544 WeakPolarHBondContact O-CB 3.47Å; C379-R544 VanDerWaalsContact O-CG 3.25Å; C379-R544 WeakPolarHBondContact O-CG 3.46Å; C379-R544 PolarHBondContact O-N 2.81Å; D380-R544 VanDerWaalsContact O-CZ 3.24Å; D380-R544 PolarHBondContact O-NH1 3.25Å; F391-R544 HydrophobicContact CE2-CB 4.16Å; F391-R544 HydrophobicContact CE2-CG 3.9Å; F391-R544 HydrophobicContact CZ-CB 3.92Å; F391-R544 HydrophobicContact CZ-CG 4.16Å; F391-R544 WeakPolarHBondContact CZ-O 3.45Å; E394-R544 IonicContact OE1-CZ 3.85Å; E394-R544 VanDerWaalsContact OE1-CZ 3.29Å; E394-R544 IonicContact OE1-NE 3.02Å; E394-R544 PolarHBondContact OE1-NE 3.42Å; E394-R544 IonicContact OE1-NH2 2.71Å; E394-R544 PolarHBondContact OE1-NH2 2.97Å; R544-I547 PolarHBondContact O-N 2.98Å; R544-M548 VanDerWaalsContact O-CB 3.27Å; R544-M548 WeakPolarHBondContact O-CB 3.44Å; R544-M548 PolarHBondContact O-N 3.15Å
545	L	89.4	Confident	72.8	Confident	8 Å²	8	72.9 Å²	72.9	4%	0.042	39%	0.394	C	S	.	.	H	α-helix	trans	-59.6	-45.3	175.5	-175.1	62.7	0	0	0	113.3	L377 Y518 F521 I522 S543 K549	L377-L545 HydrophobicContact CB-CB 4.22Å; L377-L545 HydrophobicContact CB-CD1 4.18Å; L377-L545 HydrophobicContact CD1-CD1 4.05Å; L377-L545 WeakPolarHBondContact O-CB 3.47Å; L377-L545 PolarHBondContact O-N 3.02Å; Y518-L545 HydrophobicContact CD1-CD1 3.82Å; Y518-L545 HydrophobicContact CG-CD1 4.35Å; F521-L545 VanDerWaalsContact C-CD2 3.48Å; F521-L545 HydrophobicContact CB-CD1 4.46Å; F521-L545 HydrophobicContact CB-CD2 3.96Å; F521-L545 WeakPolarHBondContact O-CD2 3.29Å; I522-L545 HydrophobicContact CB-CD2 4.34Å; I522-L545 HydrophobicContact CG1-CD2 3.6Å; I522-L545 HydrophobicContact CG1-CG 4.05Å; S543-L545 PolarHBondContact O-N 3.31Å; L545-K549 WeakPolarHBondContact O-CB 3.45Å; L545-K549 PolarHBondContact O-N 2.72Å
546	Q	86.8	Confident	75.8	Confident	84 Å²	84	71.9 Å²	71.9	39%	0.393	40%	0.395	S	S	.	.	H	α-helix	trans	-68.2	-40.9	178.1	-75.8	175.5	-19.7	0	0	111.5	V542 S543 K550	V542-Q546 HydrophobicContact CG1-CB 3.76Å; S543-Q546 PolarHBondContact O-N 3.44Å; S543-Q546 WeakPolarHBondContact OG-CG 2.97Å; S543-Q546 PolarHBondContact OG-N 3.45Å; Q546-K550 WeakPolarHBondContact O-CB 3.45Å; Q546-K550 PolarHBondContact O-N 3.16Å
547	I	89.2	Confident	78.6	Confident	12 Å²	12	65.8 Å²	65.8	6%	0.062	36%	0.363	C	S	.	.	H	α-helix	trans	-61.1	-51.3	175.5	-57.8	177.6	0	0	0	109.6	S381 N385 F391 V542 S543 R544 K549 K550 L551	S381-I547 VanDerWaalsContact CB-CD1 3.48Å; N385-I547 WeakPolarHBondContact OD1-CD1 3.28Å; N385-I547 WeakPolarHBondContact OD1-CG1 3.35Å; F391-I547 HydrophobicContact CD1-CG2 3.8Å; F391-I547 HydrophobicContact CD2-CB 4.48Å; F391-I547 HydrophobicContact CD2-CD1 4.36Å; F391-I547 HydrophobicContact CD2-CG2 3.81Å; F391-I547 HydrophobicContact CE1-CB 4.2Å; F391-I547 HydrophobicContact CE1-CG2 3.81Å; F391-I547 HydrophobicContact CE2-CB 4Å; F391-I547 HydrophobicContact CE2-CD1 4.03Å; F391-I547 HydrophobicContact CE2-CG2 3.82Å; F391-I547 HydrophobicContact CG-CG2 3.78Å; F391-I547 HydrophobicContact CZ-CB 3.85Å; F391-I547 HydrophobicContact CZ-CG2 3.83Å; V542-I547 HydrophobicContact CB-CD1 4.3Å; V542-I547 HydrophobicContact CB-CG1 4.14Å; V542-I547 HydrophobicContact CG1-CD1 4.36Å; V542-I547 HydrophobicContact CG1-CG1 3.65Å; S543-I547 PolarHBondContact O-N 3.28Å; R544-I547 PolarHBondContact O-N 2.98Å; I547-K549 PolarHBondContact O-N 2.86Å; I547-K550 PolarHBondContact O-N 3.13Å; I547-L551 HydrophobicContact CG2-CD1 3.79Å; I547-L551 HydrophobicContact CG2-CG 4.15Å; I547-L551 WeakPolarHBondContact O-CB 3.46Å; I547-L551 VanDerWaalsContact O-CG 3.3Å; I547-L551 WeakPolarHBondContact O-CG 3.17Å; I547-L551 PolarHBondContact O-N 3.45Å
548	M	91.5	Very high	81.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-58.9	-47.7	-179.2	-176.5	56.9	86.2	0	0	111.8	W373 L377 F391 W392 A395 L513 Y518 R544 K550 L551 T552	W373-M548 HydrophobicContact CH2-CE 3.7Å; W373-M548 HydrophobicContact CZ2-CE 3.85Å; L377-M548 HydrophobicContact CD2-CB 3.88Å; L377-M548 HydrophobicContact CD2-CG 4.11Å; F391-M548 HydrophobicContact CE1-CB 3.99Å; F391-M548 HydrophobicContact CE1-CE 3.89Å; F391-M548 HydrophobicContact CE1-SD 4.33Å; F391-M548 HydrophobicContact CZ-CB 4.43Å; W392-M548 HydrophobicContact CE3-CE 4.43Å; W392-M548 HydrophobicContact CE3-SD 4.22Å; W392-M548 HydrophobicContact CH2-SD 4.01Å; W392-M548 HydrophobicContact CZ3-CE 4.19Å; W392-M548 HydrophobicContact CZ3-SD 3.53Å; W392-M548 VanDerWaalsContact CZ3-SD 3.53Å; A395-M548 HydrophobicContact CB-CE 3.35Å; L513-M548 HydrophobicContact CD2-CE 4.43Å; Y518-M548 HydrophobicContact CD1-CB 4.5Å; Y518-M548 HydrophobicContact CD1-CG 3.96Å; Y518-M548 HydrophobicContact CE1-CB 4.18Å; Y518-M548 HydrophobicContact CE1-CG 3.24Å; Y518-M548 HydrophobicContact CE2-CG 4.12Å; Y518-M548 WeakPolarHBondContact OH-CG 3.44Å; R544-M548 VanDerWaalsContact O-CB 3.27Å; R544-M548 WeakPolarHBondContact O-CB 3.44Å; R544-M548 PolarHBondContact O-N 3.15Å; M548-K550 PolarHBondContact O-N 3.41Å; M548-L551 PolarHBondContact O-N 2.93Å; M548-T552 HydrophobicContact CG-CG2 4.41Å; M548-T552 VanDerWaalsContact O-CG2 3.23Å; M548-T552 WeakPolarHBondContact O-CG2 3.46Å; M548-T552 PolarHBondContact O-N 3.26Å; M548-T552 PolarHBondContact O-OG1 3.05Å; M548-T552 HydrophobicContact SD-CG2 4.01Å
549	K	91.4	Very high	83.7	Confident	55 Å²	55	63.1 Å²	63.1	24%	0.239	34%	0.335	C	S	.	.	H	α-helix	trans	-55.3	-53.1	176.5	176.8	178.1	170.2	177.1	0	111.1	D519 I522 L545 I547 L551 T552 E553	D519-K549 VanDerWaalsContact OD1-CE 3.28Å; D519-K549 WeakPolarHBondContact OD1-CE 3.21Å; D519-K549 IonicContact OD1-NZ 2.67Å; D519-K549 PolarHBondContact OD1-NZ 3.16Å; I522-K549 HydrophobicContact CD1-CD 3.79Å; L545-K549 WeakPolarHBondContact O-CB 3.45Å; L545-K549 PolarHBondContact O-N 2.72Å; I547-K549 PolarHBondContact O-N 2.86Å; K549-L551 PolarHBondContact O-N 3.33Å; K549-T552 PolarHBondContact O-N 3.43Å; K549-T552 PolarHBondContact O-OG1 3.49Å; K549-E553 WeakPolarHBondContact CE-OE1 3.23Å; K549-E553 IonicContact NZ-OE1 3.16Å; K549-E553 WeakPolarHBondContact O-CG 3.48Å; K549-E553 PolarHBondContact O-N 2.87Å; K549-E553 VanDerWaalsContact O-N 3.08Å
550	K	89.6	Confident	85.5	Confident	126 Å²	126	62.1 Å²	62.1	55%	0.548	33%	0.326	S	S	.	.	H	α-helix	trans	-58.2	-48.4	179.9	-177.5	-176.8	175.8	-172.8	0	111.6	Q546 I547 M548 T552 E553 D554	Q546-K550 WeakPolarHBondContact O-CB 3.45Å; Q546-K550 PolarHBondContact O-N 3.16Å; I547-K550 PolarHBondContact O-N 3.13Å; M548-K550 PolarHBondContact O-N 3.41Å; K550-T552 VanDerWaalsContact C-N 3.27Å; K550-T552 PolarHBondContact O-N 2.96Å; K550-E553 PolarHBondContact O-N 3.09Å; K550-E553 VanDerWaalsContact O-N 3.12Å; K550-D554 PolarHBondContact O-N 2.73Å
551	L	91.9	Very high	87.3	Confident	19 Å²	19	55.3 Å²	55.3	10%	0.099	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-38.1	-180	-71.8	179.6	0	0	0	112.3	S388 F391 W392 I547 M548 K549 D554 V555	S388-L551 VanDerWaalsContact CB-CD2 3.46Å; F391-L551 HydrophobicContact CB-CD1 4.01Å; F391-L551 HydrophobicContact CD1-CD1 3.38Å; F391-L551 HydrophobicContact CE1-CD1 4.16Å; F391-L551 HydrophobicContact CG-CD1 3.97Å; W392-L551 HydrophobicContact CH2-CB 4.22Å; W392-L551 HydrophobicContact CZ2-CB 3.58Å; I547-L551 HydrophobicContact CG2-CD1 3.79Å; I547-L551 HydrophobicContact CG2-CG 4.15Å; I547-L551 WeakPolarHBondContact O-CB 3.46Å; I547-L551 VanDerWaalsContact O-CG 3.3Å; I547-L551 WeakPolarHBondContact O-CG 3.17Å; I547-L551 PolarHBondContact O-N 3.45Å; M548-L551 PolarHBondContact O-N 2.93Å; K549-L551 PolarHBondContact O-N 3.33Å; L551-D554 PolarHBondContact O-N 3.42Å; L551-V555 WeakPolarHBondContact O-CG2 3.26Å
552	T	93.3	Very high	89.1	Confident	10 Å²	10	55.1 Å²	55.1	6%	0.061	28%	0.278	C	S	.	.	H	α-helix	trans	-69.4	-33.5	176.8	61.6	0	0	0	0	112.9	W392 L513 Y518 M548 K549 K550	W392-T552 HydrophobicContact CH2-CG2 3.59Å; W392-T552 HydrophobicContact CZ3-CG2 4.31Å; L513-T552 VanDerWaalsContact O-CG2 3.31Å; L513-T552 WeakPolarHBondContact O-CG2 3.4Å; Y518-T552 HydrophobicContact CE2-CG2 3.75Å; M548-T552 HydrophobicContact CG-CG2 4.41Å; M548-T552 VanDerWaalsContact O-CG2 3.23Å; M548-T552 WeakPolarHBondContact O-CG2 3.46Å; M548-T552 PolarHBondContact O-N 3.26Å; M548-T552 PolarHBondContact O-OG1 3.05Å; M548-T552 HydrophobicContact SD-CG2 4.01Å; K549-T552 PolarHBondContact O-N 3.43Å; K549-T552 PolarHBondContact O-OG1 3.49Å; K550-T552 VanDerWaalsContact C-N 3.27Å; K550-T552 PolarHBondContact O-N 2.96Å
553	E	91.4	Very high	90	Very high	116 Å²	116	55.8 Å²	55.8	54%	0.542	28%	0.282	S	S	.	.	H	α-helix	trans	-73.4	-29.8	176.5	-71.1	173	169.8	0	0	112.4	K549 K550 V555	K549-E553 WeakPolarHBondContact CE-OE1 3.23Å; K549-E553 IonicContact NZ-OE1 3.16Å; K549-E553 WeakPolarHBondContact O-CG 3.48Å; K549-E553 PolarHBondContact O-N 2.87Å; K549-E553 VanDerWaalsContact O-N 3.08Å; K550-E553 PolarHBondContact O-N 3.09Å; K550-E553 VanDerWaalsContact O-N 3.12Å; E553-V555 VanDerWaalsContact C-N 3.28Å; E553-V555 PolarHBondContact O-N 3.42Å
554	D	92	Very high	90.3	Very high	101 Å²	101	55.2 Å²	55.2	54%	0.54	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-11.1	179.1	-72.2	-22.7	0	0	0	113.4	K550 L551 K556	K550-D554 PolarHBondContact O-N 2.73Å; L551-D554 PolarHBondContact O-N 3.42Å; D554-K556 PolarHBondContact O-N 3.33Å
555	V	94.1	Very high	90.4	Very high	15 Å²	15	53.8 Å²	53.8	9%	0.091	27%	0.273	C	S	.	.	S	Bend	trans	-71.8	114.8	177.8	-172.5	0	0	0	0	110.2	W392 L451 L514 L551 E553 L557	W392-V555 HydrophobicContact CZ2-CG2 4.19Å; L451-V555 HydrophobicContact CB-CG1 4.37Å; L451-V555 HydrophobicContact CB-CG2 4.31Å; L514-V555 HydrophobicContact CD2-CB 3.98Å; L514-V555 HydrophobicContact CD2-CG1 4.37Å; L514-V555 HydrophobicContact CD2-CG2 3.84Å; L551-V555 WeakPolarHBondContact O-CG2 3.26Å; E553-V555 VanDerWaalsContact C-N 3.28Å; E553-V555 PolarHBondContact O-N 3.42Å; V555-L557 HydrophobicContact CG1-CD1 4.26Å; V555-L557 HydrophobicContact CG1-CD2 4.2Å; V555-L557 HydrophobicContact CG1-CG 4Å; V555-L557 PolarHBondContact O-N 2.67Å
556	K	94	Very high	90.4	Very high	191 Å²	191	60.5 Å²	60.5	83%	0.83	30%	0.298	S	S	*	.			trans	-73.8	119	177	-62.1	-178.4	-177.7	179.6	0	110.3	D554	D554-K556 PolarHBondContact O-N 3.33Å
557	L	94.6	Very high	90.4	Very high	24 Å²	24	57.6 Å²	57.6	13%	0.126	29%	0.285	C	S	.	.			trans	-138.1	158.1	-179	-64.9	169.3	0	0	0	109.8	D445 L446 L514 V555 T561 L562 L565	D445-L557 WeakPolarHBondContact OD2-CA 3.45Å; L446-L557 HydrophobicContact CD2-CD2 4.44Å; L514-L557 HydrophobicContact CD1-CD1 3.84Å; V555-L557 HydrophobicContact CG1-CD1 4.26Å; V555-L557 HydrophobicContact CG1-CD2 4.2Å; V555-L557 HydrophobicContact CG1-CG 4Å; V555-L557 PolarHBondContact O-N 2.67Å; L557-T561 HydrophobicContact CB-CG2 4.3Å; L557-T561 HydrophobicContact CD1-CG2 4.2Å; L557-T561 HydrophobicContact CD2-CG2 4.24Å; L557-T561 HydrophobicContact CG-CG2 4.48Å; L557-L562 HydrophobicContact CB-CD2 4.08Å; L557-L562 HydrophobicContact CB-CG 3.98Å; L557-L562 HydrophobicContact CD1-CD2 4.14Å; L557-L565 HydrophobicContact CD1-CD1 3.62Å
558	L	91.2	Very high	90.4	Very high	78 Å²	78	57 Å²	57	41%	0.408	28%	0.282	S	S	.	.			trans	-64.8	149.9	174.1	-65.8	174.5	0	0	0	111.2	D445 T560 T561 L562	D445-L558 HydrophobicContact CB-CD1 4.02Å; D445-L558 HydrophobicContact CB-CG 4.29Å; D445-L558 WeakPolarHBondContact OD2-CB 3.3Å; D445-L558 PolarHBondContact OD2-N 3.16Å; L558-T560 PolarHBondContact O-N 2.58Å; L558-T561 WeakPolarHBondContact O-CB 3.41Å; L558-T561 PolarHBondContact O-N 2.91Å; L558-T561 VanDerWaalsContact O-N 3.13Å; L558-L562 PolarHBondContact O-N 2.87Å
559	P	87.4	Confident	90.4	Very high	99 Å²	99	59.7 Å²	59.7	64%	0.643	29%	0.292	S	S	*	.	H	α-helix	trans	-55.4	-34.4	177.9	-27.8	35.5	0	0	0	114.3	T563	P559-T563 WeakPolarHBondContact O-CB 3.42Å; P559-T563 PolarHBondContact O-N 3.38Å; P559-T563 PolarHBondContact O-OG1 3.21Å
560	T	84	Confident	90.3	Very high	66 Å²	66	61.2 Å²	61.2	41%	0.405	30%	0.303	S	S	.	.	H	α-helix	trans	-64.8	-48.8	176.5	47.7	0	0	0	0	111.3	L558 L562 T563 E564	L558-T560 PolarHBondContact O-N 2.58Å; T560-L562 PolarHBondContact O-N 3.35Å; T560-T563 WeakPolarHBondContact O-CB 3.44Å; T560-T563 PolarHBondContact O-N 3.24Å; T560-E564 PolarHBondContact O-N 3.17Å; T560-E564 VanDerWaalsContact O-N 3.07Å
561	T	89.8	Confident	90	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-45.5	174.9	-51.5	0	0	0	0	111.8	I442 D445 L446 L557 L558 T563 E564 L565	I442-T561 HydrophobicContact CG2-CG2 4.31Å; D445-T561 WeakPolarHBondContact OD2-CB 3.41Å; D445-T561 PolarHBondContact OD2-OG1 3.5Å; L446-T561 HydrophobicContact CD1-CG2 4.43Å; L446-T561 HydrophobicContact CD2-CG2 3.75Å; L446-T561 HydrophobicContact CG-CG2 3.74Å; L557-T561 HydrophobicContact CB-CG2 4.3Å; L557-T561 HydrophobicContact CD1-CG2 4.2Å; L557-T561 HydrophobicContact CD2-CG2 4.24Å; L557-T561 HydrophobicContact CG-CG2 4.48Å; L558-T561 WeakPolarHBondContact O-CB 3.41Å; L558-T561 PolarHBondContact O-N 2.91Å; L558-T561 VanDerWaalsContact O-N 3.13Å; T561-T563 VanDerWaalsContact C-N 3.25Å; T561-T563 PolarHBondContact O-N 3.33Å; T561-E564 PolarHBondContact O-N 3.45Å; T561-L565 HydrophobicContact CG2-CD1 4.02Å; T561-L565 HydrophobicContact CG2-CG 4.44Å; T561-L565 VanDerWaalsContact O-CG 3.3Å; T561-L565 WeakPolarHBondContact O-CG 3.26Å; T561-L565 PolarHBondContact O-N 3Å
562	L	91.2	Very high	89.8	Confident	60 Å²	60	55 Å²	55	31%	0.314	28%	0.276	S	S	.	.	H	α-helix	trans	-60.7	-36.6	176.8	-72.5	172	0	0	0	112	L557 L558 T560 R566	L557-L562 HydrophobicContact CB-CD2 4.08Å; L557-L562 HydrophobicContact CB-CG 3.98Å; L557-L562 HydrophobicContact CD1-CD2 4.14Å; L558-L562 PolarHBondContact O-N 2.87Å; T560-L562 PolarHBondContact O-N 3.35Å; L562-R566 WeakPolarHBondContact O-CB 3.36Å; L562-R566 WeakPolarHBondContact O-CG 3.26Å; L562-R566 PolarHBondContact O-N 2.77Å
563	T	87.3	Confident	89.5	Confident	52 Å²	52	57.1 Å²	57.1	32%	0.319	29%	0.285	S	S	.	.	H	α-helix	trans	-66.4	-47.6	177.6	-59	0	0	0	0	111.1	P559 T560 T561 L565 R566 L567	P559-T563 WeakPolarHBondContact O-CB 3.42Å; P559-T563 PolarHBondContact O-N 3.38Å; P559-T563 PolarHBondContact O-OG1 3.21Å; T560-T563 WeakPolarHBondContact O-CB 3.44Å; T560-T563 PolarHBondContact O-N 3.24Å; T561-T563 VanDerWaalsContact C-N 3.25Å; T561-T563 PolarHBondContact O-N 3.33Å; T563-L565 PolarHBondContact O-N 3.03Å; T563-R566 PolarHBondContact O-N 3.36Å; T563-L567 HydrophobicContact CG2-CD1 4.3Å; T563-L567 WeakPolarHBondContact O-CG 3.28Å; T563-L567 PolarHBondContact O-N 2.92Å
564	E	85.3	Confident	89.1	Confident	8 Å²	8	52.7 Å²	52.7	4%	0.037	27%	0.267	C	S	.	.	H	α-helix	trans	-58.2	-47.4	175.4	-177.6	74	173.2	0	0	111.5	C338 L339 F340 I442 T560 T561 R566 L567 L568	C338-E564 PolarHBondContact N-OE1 3.17Å; C338-E564 PolarHBondContact N-OE2 3.12Å; L339-E564 PolarHBondContact N-OE1 3.38Å; F340-E564 HydrophobicContact CD2-CG 3.85Å; F340-E564 HydrophobicContact CE2-CG 4.49Å; F340-E564 PolarHBondContact N-OE1 3.42Å; I442-E564 HydrophobicContact CD1-CB 4.19Å; I442-E564 HydrophobicContact CD1-CG 4.47Å; T560-E564 PolarHBondContact O-N 3.17Å; T560-E564 VanDerWaalsContact O-N 3.07Å; T561-E564 PolarHBondContact O-N 3.45Å; E564-R566 PolarHBondContact O-N 2.98Å; E564-L567 PolarHBondContact O-N 2.98Å; E564-L568 PolarHBondContact O-N 3.43Å
565	L	92.2	Very high	88.6	Confident	6 Å²	6	48 Å²	48	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-36.8	178.9	-68.2	171.5	0	0	0	112.7	L446 L514 A515 L557 T561 T563 L568 R569	L446-L565 HydrophobicContact CD2-CD1 4.17Å; L446-L565 HydrophobicContact CD2-CD2 4.46Å; L514-L565 HydrophobicContact CB-CD1 3.89Å; L514-L565 HydrophobicContact CB-CD2 4.18Å; L514-L565 HydrophobicContact CD1-CD1 3.83Å; L514-L565 HydrophobicContact CG-CD1 4.46Å; A515-L565 HydrophobicContact CB-CB 4.44Å; A515-L565 HydrophobicContact CB-CD2 4.17Å; A515-L565 WeakPolarHBondContact CB-O 3.32Å; L557-L565 HydrophobicContact CD1-CD1 3.62Å; T561-L565 HydrophobicContact CG2-CD1 4.02Å; T561-L565 HydrophobicContact CG2-CG 4.44Å; T561-L565 VanDerWaalsContact O-CG 3.3Å; T561-L565 WeakPolarHBondContact O-CG 3.26Å; T561-L565 PolarHBondContact O-N 3Å; T563-L565 PolarHBondContact O-N 3.03Å; L565-L568 HydrophobicContact CD2-CD1 4.44Å; L565-L568 PolarHBondContact O-N 3.31Å; L565-R569 WeakPolarHBondContact O-CB 3.36Å; L565-R569 PolarHBondContact O-N 3.24Å
566	R	91	Very high	88.1	Confident	148 Å²	148	48.1 Å²	48.1	56%	0.558	24%	0.242	S	C	*	.	H	α-helix	trans	-64.5	-40.1	174.3	-77.9	170.3	-176.7	174.5	1.9	111.5	L562 T563 E564 R569 N570	L562-R566 WeakPolarHBondContact O-CB 3.36Å; L562-R566 WeakPolarHBondContact O-CG 3.26Å; L562-R566 PolarHBondContact O-N 2.77Å; T563-R566 PolarHBondContact O-N 3.36Å; E564-R566 PolarHBondContact O-N 2.98Å; R566-R569 PolarHBondContact O-N 3.47Å; R566-N570 WeakPolarHBondContact O-CB 3.28Å; R566-N570 PolarHBondContact O-N 3.13Å; R566-N570 PolarHBondContact O-ND2 2.78Å; R566-N570 PolarHBondContact O-OD1 3.13Å
567	L	86	Confident	87.3	Confident	23 Å²	23	42.2 Å²	42.2	12%	0.12	22%	0.219	C	C	.	.	H	α-helix	trans	-65.4	-43.9	176.2	-68.3	161.5	0	0	0	111.5	S335 L337 T563 E564 R569 N570 T571	S335-L567 VanDerWaalsContact CB-CD1 3.5Å; L337-L567 HydrophobicContact CD2-CB 3.6Å; L337-L567 HydrophobicContact CG-CB 4.32Å; T563-L567 HydrophobicContact CG2-CD1 4.3Å; T563-L567 WeakPolarHBondContact O-CG 3.28Å; T563-L567 PolarHBondContact O-N 2.92Å; E564-L567 PolarHBondContact O-N 2.98Å; L567-R569 VanDerWaalsContact C-N 3.33Å; L567-R569 PolarHBondContact O-N 3.38Å; L567-N570 PolarHBondContact O-N 3.18Å; L567-T571 VanDerWaalsContact O-CB 3.3Å; L567-T571 WeakPolarHBondContact O-CB 3.24Å; L567-T571 PolarHBondContact O-N 3.43Å; L567-T571 PolarHBondContact O-OG1 2.71Å
568	L	88.2	Confident	86	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.9	-46.9	172.9	-77.4	176.8	0	0	0	111.5	L337 F340 I342 F413 A515 E564 L565 T571 L572	L337-L568 HydrophobicContact CD1-CD2 3.98Å; L337-L568 HydrophobicContact CD2-CD2 3.8Å; L337-L568 HydrophobicContact CD2-CG 3.76Å; F340-L568 HydrophobicContact CB-CD1 3.62Å; F340-L568 HydrophobicContact CB-CD2 3.72Å; F340-L568 HydrophobicContact CB-CG 4.05Å; F340-L568 HydrophobicContact CD2-CD1 3.8Å; F340-L568 HydrophobicContact CG-CD1 3.86Å; I342-L568 HydrophobicContact CD1-CD2 4.47Å; F413-L568 HydrophobicContact CD1-CD2 4.12Å; F413-L568 HydrophobicContact CD2-CD1 4.12Å; F413-L568 HydrophobicContact CE1-CB 4.49Å; F413-L568 HydrophobicContact CE1-CD2 4.24Å; F413-L568 HydrophobicContact CE2-CB 4.45Å; F413-L568 HydrophobicContact CE2-CD1 4.09Å; F413-L568 HydrophobicContact CG-CD2 4.39Å; F413-L568 HydrophobicContact CZ-CB 4.15Å; A515-L568 HydrophobicContact CB-CB 3.82Å; A515-L568 HydrophobicContact CB-CD1 4.45Å; E564-L568 PolarHBondContact O-N 3.43Å; L565-L568 HydrophobicContact CD2-CD1 4.44Å; L565-L568 PolarHBondContact O-N 3.31Å; L568-T571 PolarHBondContact O-N 3.24Å; L568-L572 WeakPolarHBondContact O-CB 3.26Å; L568-L572 PolarHBondContact O-N 3.45Å
569	R	92.7	Very high	84.5	Confident	56 Å²	56	43 Å²	43	21%	0.211	23%	0.227	C	C	.	.	H	α-helix	trans	-57.7	-51.4	177.9	-177.1	-175.5	-60.9	173.2	1.4	111.5	L514 A515 P517 L565 R566 L567 T571 L572 Q573	L514-R569 PolarHBondContact O-NH2 3.29Å; A515-R569 HydrophobicContact CB-CB 4.31Å; A515-R569 WeakPolarHBondContact O-CA 3.38Å; A515-R569 WeakPolarHBondContact O-CB 3.31Å; A515-R569 VanDerWaalsContact O-CG 3.27Å; A515-R569 WeakPolarHBondContact O-CG 3.33Å; P517-R569 HydrophobicContact CB-CG 4.04Å; L565-R569 WeakPolarHBondContact O-CB 3.36Å; L565-R569 PolarHBondContact O-N 3.24Å; R566-R569 PolarHBondContact O-N 3.47Å; L567-R569 VanDerWaalsContact C-N 3.33Å; L567-R569 PolarHBondContact O-N 3.38Å; R569-T571 VanDerWaalsContact C-N 3.31Å; R569-T571 PolarHBondContact O-N 2.95Å; R569-L572 PolarHBondContact O-N 2.97Å; R569-Q573 WeakPolarHBondContact O-CB 3.38Å; R569-Q573 PolarHBondContact O-N 3.45Å
570	N	89	Confident	83	Confident	88 Å²	88	46.6 Å²	46.6	47%	0.471	23%	0.228	S	C	.	.	H	α-helix	trans	-63.5	-39.1	-179	-67.9	-10.8	0	0	0	111.6	R566 L567 S574	R566-N570 WeakPolarHBondContact O-CB 3.28Å; R566-N570 PolarHBondContact O-N 3.13Å; R566-N570 PolarHBondContact O-ND2 2.78Å; R566-N570 PolarHBondContact O-OD1 3.13Å; L567-N570 PolarHBondContact O-N 3.18Å; N570-S574 VanDerWaalsContact O-CB 3.23Å; N570-S574 WeakPolarHBondContact O-CB 3.13Å; N570-S574 PolarHBondContact O-N 3.11Å
571	T	83.1	Confident	81.6	Confident	14 Å²	14	50.4 Å²	50.4	9%	0.086	25%	0.245	C	C	.	.	H	α-helix	trans	-66	-48.2	178.5	-55.5	0	0	0	0	110.8	I301 I342 L567 L568 R569 S574 L575	I301-T571 HydrophobicContact CD1-CG2 3.61Å; I301-T571 HydrophobicContact CG2-CG2 3.85Å; I342-T571 HydrophobicContact CD1-CG2 4.2Å; I342-T571 HydrophobicContact CG1-CG2 3.57Å; L567-T571 VanDerWaalsContact O-CB 3.3Å; L567-T571 WeakPolarHBondContact O-CB 3.24Å; L567-T571 PolarHBondContact O-N 3.43Å; L567-T571 PolarHBondContact O-OG1 2.71Å; L568-T571 PolarHBondContact O-N 3.24Å; R569-T571 VanDerWaalsContact C-N 3.31Å; R569-T571 PolarHBondContact O-N 2.95Å; T571-S574 PolarHBondContact O-N 3.32Å; T571-L575 WeakPolarHBondContact O-CB 3.45Å; T571-L575 PolarHBondContact O-N 3.4Å
572	L	87.4	Confident	80.2	Confident	1 Å²	1	51 Å²	51	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-43.9	176.8	-178.5	59	0	0	0	111.3	I342 F413 F516 L568 R569 S574 L575 M576	I342-L572 HydrophobicContact CD1-CB 4.36Å; F413-L572 HydrophobicContact CE1-CB 4.31Å; F413-L572 HydrophobicContact CE1-CD2 3.98Å; F413-L572 HydrophobicContact CZ-CD2 3.88Å; F516-L572 HydrophobicContact CD2-CD2 4.49Å; L568-L572 WeakPolarHBondContact O-CB 3.26Å; L568-L572 PolarHBondContact O-N 3.45Å; R569-L572 PolarHBondContact O-N 2.97Å; L572-S574 PolarHBondContact O-N 2.65Å; L572-L575 WeakPolarHBondContact O-CB 3.16Å; L572-L575 PolarHBondContact O-N 2.83Å; L572-M576 HydrophobicContact CD1-CG 4.2Å; L572-M576 HydrophobicContact CD1-SD 4.19Å; L572-M576 HydrophobicContact CG-CG 4.41Å; L572-M576 HydrophobicContact CG-SD 3.88Å; L572-M576 WeakPolarHBondContact O-CB 3.41Å; L572-M576 WeakPolarHBondContact O-CG 3.35Å; L572-M576 PolarHBondContact O-N 3.49Å
573	Q	88.2	Confident	78.5	Confident	53 Å²	53	56.7 Å²	56.7	25%	0.248	27%	0.266	C	S	.	.	H	α-helix	trans	-57.9	-47.9	175.8	176	170.1	26.4	0	0	111.7	P517 N520 R569 M576 N577	P517-Q573 HydrophobicContact CB-CB 3.82Å; P517-Q573 HydrophobicContact CB-CG 4.3Å; P517-Q573 HydrophobicContact CG-CB 4.21Å; N520-Q573 WeakPolarHBondContact OD1-CG 3.45Å; N520-Q573 PolarHBondContact OD1-NE2 2.87Å; R569-Q573 WeakPolarHBondContact O-CB 3.38Å; R569-Q573 PolarHBondContact O-N 3.45Å; Q573-M576 PolarHBondContact O-N 3.45Å; Q573-N577 VanDerWaalsContact O-CB 3.29Å; Q573-N577 WeakPolarHBondContact O-CB 3.47Å; Q573-N577 VanDerWaalsContact O-CG 3.23Å; Q573-N577 PolarHBondContact O-N 3.2Å; Q573-N577 PolarHBondContact O-ND2 3.43Å
574	S	82.8	Confident	77.1	Confident	23 Å²	23	55.9 Å²	55.9	16%	0.161	26%	0.262	C	S	.	.	H	α-helix	trans	-57.7	-53.4	177.3	-176.3	0	0	0	0	109.8	P302 N570 T571 L572 M576 N577 T578	P302-S574 WeakPolarHBondContact CB-OG 3.42Å; P302-S574 VanDerWaalsContact CD-OG 3.27Å; P302-S574 WeakPolarHBondContact CD-OG 3.46Å; P302-S574 WeakPolarHBondContact CG-OG 3.37Å; P302-S574 WeakPolarHBondContact O-CB 3.26Å; P302-S574 PolarHBondContact O-OG 3.35Å; N570-S574 VanDerWaalsContact O-CB 3.23Å; N570-S574 WeakPolarHBondContact O-CB 3.13Å; N570-S574 PolarHBondContact O-N 3.11Å; T571-S574 PolarHBondContact O-N 3.32Å; L572-S574 PolarHBondContact O-N 2.65Å; S574-M576 VanDerWaalsContact C-N 3.33Å; S574-M576 PolarHBondContact O-N 3.49Å; S574-N577 PolarHBondContact O-N 3.08Å; S574-T578 PolarHBondContact O-N 3.47Å; S574-T578 PolarHBondContact O-OG1 3.43Å
575	L	80.3	Confident	75.4	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-54.1	-44.5	178.2	-178.8	64.9	0	0	0	113.1	I301 I342 Y347 Y350 T571 L572	I301-L575 HydrophobicContact CG2-CB 4.23Å; I342-L575 HydrophobicContact CG2-CD2 4Å; Y347-L575 HydrophobicContact CD2-CD1 4.26Å; Y350-L575 VanDerWaalsContact CB-CG 3.48Å; Y350-L575 WeakPolarHBondContact CB-O 3.35Å; Y350-L575 HydrophobicContact CD2-CD2 3.82Å; Y350-L575 HydrophobicContact CD2-CG 3.85Å; Y350-L575 HydrophobicContact CG-CD2 4.39Å; Y350-L575 HydrophobicContact CG-CG 3.93Å; T571-L575 WeakPolarHBondContact O-CB 3.45Å; T571-L575 PolarHBondContact O-N 3.4Å; L572-L575 WeakPolarHBondContact O-CB 3.16Å; L572-L575 PolarHBondContact O-N 2.83Å
576	M	83.7	Confident	73.3	Confident	17 Å²	17	63.2 Å²	63.2	8%	0.084	32%	0.317	C	S	.	.	H	α-helix	trans	-67.7	-33.4	176.9	-66.4	171	98.4	0	0	112.9	Y350 V370 F516 P517 F521 L572 Q573 S574	Y350-M576 HydrophobicContact CD1-CG 4.34Å; Y350-M576 HydrophobicContact CE1-CB 4.27Å; Y350-M576 HydrophobicContact CE1-CG 3.83Å; Y350-M576 HydrophobicContact CE2-CG 4.1Å; V370-M576 HydrophobicContact CG1-CE 3.41Å; V370-M576 VanDerWaalsContact CG1-CE 3.41Å; V370-M576 HydrophobicContact CG2-CE 4.49Å; F516-M576 HydrophobicContact CE2-CE 4.4Å; F516-M576 HydrophobicContact CZ-CE 4.35Å; P517-M576 HydrophobicContact CG-SD 3.68Å; F521-M576 HydrophobicContact CE2-CE 4.12Å; F521-M576 HydrophobicContact CZ-CE 3.62Å; L572-M576 HydrophobicContact CD1-CG 4.2Å; L572-M576 HydrophobicContact CD1-SD 4.19Å; L572-M576 HydrophobicContact CG-CG 4.41Å; L572-M576 HydrophobicContact CG-SD 3.88Å; L572-M576 WeakPolarHBondContact O-CB 3.41Å; L572-M576 WeakPolarHBondContact O-CG 3.35Å; L572-M576 PolarHBondContact O-N 3.49Å; Q573-M576 PolarHBondContact O-N 3.45Å; S574-M576 VanDerWaalsContact C-N 3.33Å; S574-M576 PolarHBondContact O-N 3.49Å
577	N	78.7	Confident	71.3	Confident	67 Å²	67	57.4 Å²	57.4	36%	0.358	30%	0.298	S	S	.	.	H	α-helix	trans	-81.6	-34.9	-177	-77	-19.9	0	0	0	113.1	N520 Q573 S574 N579	N520-N577 PolarHBondContact ND2-OD1 3.45Å; Q573-N577 VanDerWaalsContact O-CB 3.29Å; Q573-N577 WeakPolarHBondContact O-CB 3.47Å; Q573-N577 VanDerWaalsContact O-CG 3.23Å; Q573-N577 PolarHBondContact O-N 3.2Å; Q573-N577 PolarHBondContact O-ND2 3.43Å; S574-N577 PolarHBondContact O-N 3.08Å; N577-N579 PolarHBondContact O-N 2.99Å
578	T	66.2	Low	69.3	Low	71 Å²	71	60.4 Å²	60.4	44%	0.436	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-24	-179	-20.4	0	0	0	0	112.4	P302 S574	P302-T578 WeakPolarHBondContact CD-OG1 3.15Å; P302-T578 HydrophobicContact CG-CG2 3.51Å; S574-T578 PolarHBondContact O-N 3.47Å; S574-T578 PolarHBondContact O-OG1 3.43Å
579	N	60.7	Low	67	Low	48 Å²	48	68.6 Å²	68.6	26%	0.257	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.6	30.5	-153.3	-95.3	-41.2	0	0	0	115.4	Y350 N577 N581 L582	Y350-N579 WeakPolarHBondContact O-CB 3.5Å; Y350-N579 PolarHBondContact O-ND2 2.94Å; N577-N579 PolarHBondContact O-N 2.99Å; N579-N581 PolarHBondContact O-N 3.35Å; N579-L582 HydrophobicContact CB-CD1 3.67Å; N579-L582 HydrophobicContact CB-CD2 4.21Å; N579-L582 HydrophobicContact CB-CG 3.61Å; N579-L582 WeakPolarHBondContact O-CD1 3.48Å; N579-L582 WeakPolarHBondContact O-CG 3.13Å; N579-L582 PolarHBondContact O-N 3.41Å
580	R	55.1	Low	64.3	Low	174 Å²	174	71 Å²	71	66%	0.657	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-17.7	167.8	-68.4	-171.1	-177.4	-168.5	0.7	113.3
581	N	53.9	Low	61.7	Low	146 Å²	146	78.2 Å²	78.2	78%	0.781	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	38.5	-179.6	-64	-21.9	0	0	0	114.1	N579 W583	N579-N581 PolarHBondContact O-N 3.35Å; N581-W583 PolarHBondContact O-N 3.26Å
582	L	60.7	Low	60.7	Low	12 Å²	12	81.5 Å²	81.5	6%	0.063	41%	0.412	C	S	.	.			trans	-59.2	-1.6	176.5	-87.3	157.3	0	0	0	115.9	P353 L356 N579 C584	P353-L582 VanDerWaalsContact CB-O 3.24Å; P353-L582 WeakPolarHBondContact CB-O 3.32Å; P353-L582 HydrophobicContact CG-CD2 3.83Å; P353-L582 VanDerWaalsContact CG-O 3.29Å; P353-L582 WeakPolarHBondContact CG-O 3.12Å; L356-L582 HydrophobicContact CD1-CB 3.77Å; L356-L582 HydrophobicContact CD1-CD1 3.86Å; L356-L582 HydrophobicContact CD1-CG 4.44Å; N579-L582 HydrophobicContact CB-CD1 3.67Å; N579-L582 HydrophobicContact CB-CD2 4.21Å; N579-L582 HydrophobicContact CB-CG 3.61Å; N579-L582 WeakPolarHBondContact O-CD1 3.48Å; N579-L582 WeakPolarHBondContact O-CG 3.13Å; N579-L582 PolarHBondContact O-N 3.41Å; L582-C584 PolarHBondContact O-N 2.82Å
583	W	56	Low	59.2	Low	179 Å²	179	85.7 Å²	85.7	68%	0.678	43%	0.434	S	S	*	.			trans	-76.2	110.8	-179.3	-60.8	75.7	0	0	0	108.7	N581 T585 V588	N581-W583 PolarHBondContact O-N 3.26Å; W583-T585 PolarHBondContact O-N 2.96Å; W583-V588 HydrophobicContact CB-CG2 4.24Å
584	C	58.7	Low	57.6	Low	36 Å²	36	87.5 Å²	87.5	24%	0.243	44%	0.444	C	S	.	.			trans	-61.6	121	169.3	177.9	0	0	0	0	108.4	L582 G586 C587 V588	L582-C584 PolarHBondContact O-N 2.82Å; C584-G586 PolarHBondContact O-N 3.49Å; C584-C587 HydrophobicContact CB-CB 4.15Å; C584-C587 WeakPolarHBondContact O-CA 3.49Å; C584-C587 WeakPolarHBondContact O-CB 3.48Å; C584-C587 PolarHBondContact O-N 3.46Å; C584-V588 PolarHBondContact O-N 2.9Å
585	T	48.5	Very low	56.2	Low	122 Å²	122	91.3 Å²	91.3	75%	0.748	46%	0.461	S	S	*	.	H	α-helix	trans	-54.1	-38.8	-179	47	0	0	0	0	112.1	W583 C587 V588	W583-T585 PolarHBondContact O-N 2.96Å; T585-C587 PolarHBondContact O-N 3.03Å; T585-V588 PolarHBondContact O-N 3.29Å
586	G	49.3	Very low	54.6	Low	45 Å²	45	96.8 Å²	96.8	46%	0.464	49%	0.488	S	S	.	.	H	α-helix	trans	-67.9	-11	175	0	0	0	0	0	115.1	C584	C584-G586 PolarHBondContact O-N 3.49Å
587	C	48	Very low	52.7	Low	26 Å²	26	102.1 Å²	102.1	18%	0.176	52%	0.515	C	S	.	.	H	α-helix	trans	-100.4	-19.3	176.9	-63.4	0	0	0	0	113.2	R357 C584 T585 E589 Q590	R357-C587 PolarHBondContact NH1-SG 3.41Å; R357-C587 VanDerWaalsContact NH1-SG 3.4Å; C584-C587 HydrophobicContact CB-CB 4.15Å; C584-C587 WeakPolarHBondContact O-CA 3.49Å; C584-C587 WeakPolarHBondContact O-CB 3.48Å; C584-C587 PolarHBondContact O-N 3.46Å; T585-C587 PolarHBondContact O-N 3.03Å; C587-E589 PolarHBondContact O-N 2.83Å; C587-Q590 PolarHBondContact O-N 3.49Å
588	V	43.8	Very low	50.9	Low	86 Å²	86	104.6 Å²	104.6	52%	0.521	53%	0.526	S	S	.	.	H	α-helix	trans	-65.1	-31.5	175.1	-179.5	0	0	0	0	110.4	W583 C584 T585 Q590	W583-V588 HydrophobicContact CB-CG2 4.24Å; C584-V588 PolarHBondContact O-N 2.9Å; T585-V588 PolarHBondContact O-N 3.29Å; V588-Q590 VanDerWaalsContact C-N 3.28Å; V588-Q590 PolarHBondContact O-N 2.94Å
589	E	39.9	Very low	49.7	Very low	172 Å²	172	107.2 Å²	107.2	80%	0.804	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-2.1	-179.8	-65.4	-177.9	170.2	0	0	115	C587	C587-E589 PolarHBondContact O-N 2.83Å
590	Q	36.3	Very low	48.8	Very low	108 Å²	108	112.1 Å²	112.1	51%	0.505	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.9	9.5	-179.7	-74.9	-170.9	-2.5	0	0	114.9	C587 V588	C587-Q590 PolarHBondContact O-N 3.49Å; V588-Q590 VanDerWaalsContact C-N 3.28Å; V588-Q590 PolarHBondContact O-N 2.94Å
591	K	35.2	Very low	48.2	Very low	239 Å²	239	106.5 Å²	106.5	100%	1.039	55%	0.547	S	S	*	.			trans	-101.8	0	160.3	-81.1	-173	176.8	-178.3	0	108.8

Retrieved 591 of 591 residues in 1514.9 ms (Link to these results)

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