A0A3Q0KMU5_SCHMA Loading...

PDZ domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KMU5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 565 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.9	Very low	34.4	Very low	251 Å²	251	149.4 Å²	149.4	100%	1.236	82%	0.82	S	S	*	*				0	96.7	0	-92	179	-179.2	0	0	107.8
2	T	27.9	Very low	34.6	Very low	122 Å²	122	146.4 Å²	146.4	75%	0.748	82%	0.819	S	S	*	*			trans	-95.1	140	174.8	1.9	0	0	0	0	107.8
3	I	34.9	Very low	34.7	Very low	157 Å²	157	146.5 Å²	146.5	81%	0.805	81%	0.809	S	S	*	*			trans	-132.6	97.9	155	-58.6	-179.3	0	0	0	106.4
4	E	30.9	Very low	34.5	Very low	152 Å²	152	147.4 Å²	147.4	71%	0.71	80%	0.8	S	S	*	*			trans	-83.8	136.4	162.8	-67.7	178.4	158.8	0	0	108.1
5	N	37.3	Very low	34.5	Very low	153 Å²	153	151.5 Å²	151.5	82%	0.818	81%	0.808	S	S	*	*			trans	-108.8	95.9	164.1	-83.4	-13.6	0	0	0	108.3
6	N	33.6	Very low	34.1	Very low	133 Å²	133	150.3 Å²	150.3	71%	0.711	81%	0.807	S	S	*	*			trans	-82	132.6	158	-79.4	-31.3	0	0	0	108.6
7	V	37	Very low	34	Very low	125 Å²	125	147.1 Å²	147.1	76%	0.758	81%	0.807	S	S	*	*			trans	-124.8	99.2	158.6	178.7	0	0	0	0	106.7	F9	V7-F9 HydrophobicContact CG1-CD2 4.11Å; V7-F9 HydrophobicContact CG1-CE2 4.42Å
8	D	33.4	Very low	33.7	Very low	144 Å²	144	146.8 Å²	146.8	77%	0.77	80%	0.804	S	S	*	*			trans	-76	135.5	162	-84	-38.6	0	0	0	109.3
9	F	35.4	Very low	33.6	Very low	197 Å²	197	145.8 Å²	145.8	86%	0.864	81%	0.807	S	S	*	*			trans	-121.6	117	157.2	-106.7	-85.6	0	0	0	108.7	V7	V7-F9 HydrophobicContact CG1-CD2 4.11Å; V7-F9 HydrophobicContact CG1-CE2 4.42Å
10	T	34.9	Very low	33.4	Very low	132 Å²	132	143.8 Å²	143.8	81%	0.81	80%	0.802	S	S	*	*			trans	-91.7	154.1	-178	41.6	0	0	0	0	112.2
11	G	33.5	Very low	33.1	Very low	77 Å²	77	144.7 Å²	144.7	79%	0.794	80%	0.804	S	S	*	*			trans	105.2	128.7	162.2	0	0	0	0	0	114
12	S	36.6	Very low	32.7	Very low	114 Å²	114	138.5 Å²	138.5	80%	0.797	78%	0.78	S	S	*	*			cis	-165.5	139	14	48.2	0	0	0	0	111
13	E	35.6	Very low	32.8	Very low	148 Å²	148	137.5 Å²	137.5	69%	0.692	78%	0.776	S	S	*	*			trans	51.1	117.6	142.1	-59.1	-152.1	146.4	0	0	124.8
14	K	31.7	Very low	32.6	Very low	159 Å²	159	136.2 Å²	136.2	69%	0.691	77%	0.77	S	S	*	*				74.2	107.4	127.9	-65.9	171.3	-173.9	148.3	0	119.9
15	K	34.5	Very low	32.6	Very low	209 Å²	209	135.3 Å²	135.3	91%	0.909	77%	0.77	S	S	*	*				-173.5	125.2	98.1	-99.1	172.2	-177.4	177.3	0	111.8
16	T	28.2	Very low	32.2	Very low	131 Å²	131	136.7 Å²	136.7	80%	0.804	77%	0.772	S	S	*	*			trans	-69.9	137.4	176	34.5	0	0	0	0	112.1
17	A	32	Very low	32.2	Very low	96 Å²	96	140.3 Å²	140.3	79%	0.793	78%	0.781	S	S	*	*			trans	-125	93	155.6	0	0	0	0	0	107.8	C19	A17-C19 PolarHBondContact O-N 2.76Å
18	N	30.1	Very low	31.7	Very low	142 Å²	142	142 Å²	142	76%	0.759	79%	0.786	S	S	*	*			trans	-64.5	113.3	165.3	-81.7	-16.8	0	0	0	108.3
19	C	31	Very low	31.6	Very low	128 Å²	128	141.3 Å²	141.3	87%	0.865	79%	0.791	S	S	*	*			trans	-105.6	100.8	159.4	-78	0	0	0	0	108.3	A17	A17-C19 PolarHBondContact O-N 2.76Å
20	C	30.4	Very low	31.3	Very low	105 Å²	105	136.5 Å²	136.5	71%	0.709	78%	0.782	S	S	*	*			trans	-56.5	143.8	178.4	-60.6	0	0	0	0	112.4	V22	C20-V22 PolarHBondContact O-N 3.12Å
21	I	26.6	Very low	31	Very low	164 Å²	164	137.1 Å²	137.1	84%	0.841	78%	0.78	S	S	*	*			trans	-54.8	122.8	160.8	-63.1	162.2	0	0	0	108.1
22	V	31.7	Very low	30.9	Very low	120 Å²	120	142.3 Å²	142.3	73%	0.727	79%	0.789	S	S	*	*			trans	-110.2	112.4	165.2	179.3	0	0	0	0	107.3	C20	C20-V22 PolarHBondContact O-N 3.12Å
23	P	29	Very low	30.5	Very low	102 Å²	102	141.4 Å²	141.4	66%	0.662	79%	0.788	S	S	*	*			trans	-94.1	114.6	163.1	32.2	-20.3	0	0	0	107.9
24	D	31.6	Very low	30.2	Very low	130 Å²	130	142.1 Å²	142.1	70%	0.695	80%	0.797	S	S	*	*			trans	-149.3	102	164.5	-104	-34.4	0	0	0	112.8
25	N	31	Very low	30.1	Very low	132 Å²	132	143.2 Å²	143.2	71%	0.706	80%	0.804	S	S	*	*				47.7	110.1	123.7	-67.1	-40	0	0	0	119.9
26	Q	28.2	Very low	30	Very low	183 Å²	183	138.6 Å²	138.6	86%	0.855	80%	0.796	S	S	*	*			trans	35	100.5	132.8	-65.4	-174.6	6.2	0	0	117.5
27	K	33.1	Very low	30.3	Very low	209 Å²	209	141.5 Å²	141.5	91%	0.909	80%	0.8	S	S	*	*			trans	-137.2	109.3	137	-83.9	-171.2	178	169.6	0	110.5	C29	K27-C29 PolarHBondContact O-N 2.74Å
28	N	26.8	Very low	30.2	Very low	159 Å²	159	143 Å²	143	85%	0.85	79%	0.793	S	S	*	*			trans	-51.3	120.6	163.8	-77.4	-31	0	0	0	110.1
29	C	31.6	Very low	30.3	Very low	131 Å²	131	144 Å²	144	89%	0.885	80%	0.797	S	S	*	*			trans	-133.2	97.7	150.8	-88.2	0	0	0	0	107	K27	K27-C29 PolarHBondContact O-N 2.74Å
30	S	29.3	Very low	30.3	Very low	95 Å²	95	143.6 Å²	143.6	66%	0.664	78%	0.782	S	S	*	*			trans	-53.8	160.5	169.9	-24.7	0	0	0	0	111.9
31	D	28.7	Very low	30.2	Very low	146 Å²	146	149.9 Å²	149.9	78%	0.781	79%	0.791	S	S	*	*			trans	83.8	67.3	154.3	-54.1	-23.6	0	0	0	118.6
32	L	30.4	Very low	30.3	Very low	186 Å²	186	150.3 Å²	150.3	97%	0.974	78%	0.783	S	S	*	*			trans	-156.1	43.5	135.2	-102.6	138.5	0	0	0	111
33	A	28	Very low	30.3	Very low	94 Å²	94	149.7 Å²	149.7	78%	0.777	78%	0.781	S	S	*	*			trans	-103.8	67.8	171.9	0	0	0	0	0	109.6
34	N	30.6	Very low	30.4	Very low	164 Å²	164	153 Å²	153	88%	0.877	79%	0.793	S	S	*	*			trans	-156.5	73.2	171.1	-91.6	-32	0	0	0	110
35	Q	30.3	Very low	30.5	Very low	181 Å²	181	151.8 Å²	151.8	85%	0.846	79%	0.79	S	S	*	*			trans	-141.3	127.3	151.7	-88.4	-158.8	-11.7	0	0	110.3	Q37	Q35-Q37 PolarHBondContact O-N 3.47Å
36	P	31.2	Very low	30.5	Very low	113 Å²	113	150.9 Å²	150.9	73%	0.734	79%	0.792	S	S	*	*			trans	-64.5	125.3	176.3	27.3	-31.3	0	0	0	108.4	M38	P36-M38 PolarHBondContact O-N 3.4Å
37	Q	34.9	Very low	30.6	Very low	192 Å²	192	147.1 Å²	147.1	90%	0.897	78%	0.784	S	S	*	*			trans	-63.6	85.8	164.3	-77.2	-179.9	-7.3	0	0	108	Q35 L39	Q35-Q37 PolarHBondContact O-N 3.47Å; Q37-L39 PolarHBondContact O-N 3.26Å
38	M	29.9	Very low	30.5	Very low	128 Å²	128	145.2 Å²	145.2	63%	0.631	78%	0.781	S	S	*	*			trans	-61.3	100.2	165.6	-80.6	-127.5	71.1	0	0	107.8	P36 H40	P36-M38 PolarHBondContact O-N 3.4Å; M38-H40 PolarHBondContact O-N 3.17Å
39	L	32.4	Very low	30.6	Very low	163 Å²	163	140.8 Å²	140.8	85%	0.853	77%	0.772	S	S	*	*			trans	-64.1	80.8	161.9	-116.9	140	0	0	0	107.3	Q37 R41	Q37-L39 PolarHBondContact O-N 3.26Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.34Å
40	H	30.7	Very low	30.6	Very low	119 Å²	119	141.6 Å²	141.6	55%	0.551	77%	0.767	S	S	*	*			trans	-66.9	92	173.9	-90.8	-49.4	0	0	0	109.4	M38 Y42	M38-H40 PolarHBondContact O-N 3.17Å; H40-Y42 HydrophobicContact CB-CD2 3.87Å; H40-Y42 HydrophobicContact CB-CE2 4.4Å; H40-Y42 AromaticContact CE1-CE2 3.48Å; H40-Y42 VanDerWaalsContact CE1-CE2 3.48Å; H40-Y42 WeakPolarHBondContact CE1-CE2 2.82Å; H40-Y42 AromaticContact CG-CD2 3.77Å; H40-Y42 AromaticContact CG-CE2 3.8Å; H40-Y42 AromaticContact ND1-CD2 3.48Å; H40-Y42 WeakPolarHBondContact ND1-CD2 3.41Å; H40-Y42 AromaticContact ND1-CE2 3.09Å; H40-Y42 WeakPolarHBondContact ND1-CE2 2.95Å; H40-Y42 PolarHBondContact O-N 3.37Å
41	R	29.1	Very low	30.6	Very low	237 Å²	237	144.4 Å²	144.4	89%	0.894	77%	0.774	S	S	*	*			trans	-63.6	85.9	151.5	-73.9	-177.4	173.8	-178.1	-2.1	108	L39	L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.34Å
42	Y	28.7	Very low	30.8	Very low	173 Å²	173	145.2 Å²	145.2	68%	0.678	77%	0.773	S	S	*	*			trans	-118.4	129	162	-81.5	-65	0	0	0	109	H40 L44	H40-Y42 HydrophobicContact CB-CD2 3.87Å; H40-Y42 HydrophobicContact CB-CE2 4.4Å; H40-Y42 AromaticContact CE1-CE2 3.48Å; H40-Y42 VanDerWaalsContact CE1-CE2 3.48Å; H40-Y42 WeakPolarHBondContact CE1-CE2 2.82Å; H40-Y42 AromaticContact CG-CD2 3.77Å; H40-Y42 AromaticContact CG-CE2 3.8Å; H40-Y42 AromaticContact ND1-CD2 3.48Å; H40-Y42 WeakPolarHBondContact ND1-CD2 3.41Å; H40-Y42 AromaticContact ND1-CE2 3.09Å; H40-Y42 WeakPolarHBondContact ND1-CE2 2.95Å; H40-Y42 PolarHBondContact O-N 3.37Å; Y42-L44 PolarHBondContact O-N 2.97Å
43	P	30.6	Very low	30.8	Very low	106 Å²	106	142.1 Å²	142.1	69%	0.688	76%	0.756	S	S	*	*			trans	-66.8	110.3	170.3	27.3	-29.8	0	0	0	107.9	T45	P43-T45 VanDerWaalsContact C-N 3.28Å; P43-T45 PolarHBondContact O-N 3.09Å
44	L	31.4	Very low	30.9	Very low	172 Å²	172	147.2 Å²	147.2	90%	0.901	76%	0.761	S	S	*	*			trans	-62.8	95	164.9	-75.8	166.3	0	0	0	107.5	Y42 P46	Y42-L44 PolarHBondContact O-N 2.97Å; L44-P46 WeakPolarHBondContact O-CD 3.01Å
45	T	33	Very low	30.9	Very low	105 Å²	105	148.4 Å²	148.4	64%	0.644	75%	0.754	S	S	*	*			trans	-95.4	102.7	171.7	33.8	0	0	0	0	108.6	P43 C47	P43-T45 VanDerWaalsContact C-N 3.28Å; P43-T45 PolarHBondContact O-N 3.09Å; T45-C47 PolarHBondContact O-N 3.44Å
46	P	32.8	Very low	30.9	Very low	113 Å²	113	150.6 Å²	150.6	73%	0.734	76%	0.755	S	S	*	*			trans	-81.1	97.9	148.3	30.2	-24.4	0	0	0	107	L44 M48	L44-P46 WeakPolarHBondContact O-CD 3.01Å; P46-M48 VanDerWaalsContact C-N 3.29Å; P46-M48 PolarHBondContact O-N 3.32Å
47	C	29.5	Very low	30.7	Very low	103 Å²	103	154.5 Å²	154.5	70%	0.696	76%	0.76	S	S	*	*			trans	-67.3	85.6	168.5	-60.8	0	0	0	0	109.4	T45 G49	T45-C47 PolarHBondContact O-N 3.44Å; C47-G49 PolarHBondContact O-N 3.49Å
48	M	30	Very low	30.5	Very low	170 Å²	170	151.8 Å²	151.8	84%	0.837	76%	0.756	S	S	*	*			trans	-83.8	90	164.5	-72.6	-65.4	-69.5	0	0	108.4	P46	P46-M48 VanDerWaalsContact C-N 3.29Å; P46-M48 PolarHBondContact O-N 3.32Å
49	G	29.6	Very low	30.6	Very low	65 Å²	65	151.9 Å²	151.9	67%	0.67	76%	0.76	S	S	*	*			trans	-87.7	129	171.9	0	0	0	0	0	111.6	C47	C47-G49 PolarHBondContact O-N 3.49Å
50	L	31.7	Very low	30.3	Very low	149 Å²	149	151.6 Å²	151.6	78%	0.78	76%	0.759	S	S	*	*			trans	44	97.8	148.5	-75	147.4	0	0	0	118	H52	L50-H52 VanDerWaalsContact CD2-CD2 3.49Å; L50-H52 WeakPolarHBondContact CD2-CD2 3.34Å
51	L	30.1	Very low	30.3	Very low	153 Å²	153	151.2 Å²	151.2	80%	0.801	77%	0.768	S	S	*	*			trans	-99.3	95.9	147.7	-115.7	143.9	0	0	0	107.7	L53	L51-L53 HydrophobicContact CD2-CG 4.24Å; L51-L53 PolarHBondContact O-N 3.12Å; L51-L53 VanDerWaalsContact O-N 3.13Å
52	H	31.3	Very low	30.1	Very low	164 Å²	164	147.1 Å²	147.1	76%	0.759	76%	0.764	S	S	*	*			trans	-70.4	96.3	159.6	-98	-105.3	0	0	0	107.5	L50 K54	L50-H52 VanDerWaalsContact CD2-CD2 3.49Å; L50-H52 WeakPolarHBondContact CD2-CD2 3.34Å; H52-K54 PolarHBondContact O-N 3.17Å
53	L	31.1	Very low	30.2	Very low	121 Å²	121	146.1 Å²	146.1	63%	0.634	77%	0.77	S	S	*	*			trans	-74.6	99.8	160.9	-81.9	157.3	0	0	0	107.6	L51 Y55	L51-L53 HydrophobicContact CD2-CG 4.24Å; L51-L53 PolarHBondContact O-N 3.12Å; L51-L53 VanDerWaalsContact O-N 3.13Å; L53-Y55 HydrophobicContact CB-CD2 4.37Å; L53-Y55 HydrophobicContact CB-CE2 4.26Å; L53-Y55 PolarHBondContact O-N 3.15Å; L53-Y55 VanDerWaalsContact O-N 3.08Å
54	K	30.4	Very low	30.1	Very low	201 Å²	201	146.2 Å²	146.2	87%	0.874	77%	0.773	S	S	*	*			trans	-66.6	98.5	159.1	-94.3	-176	173.8	-180	0	107	H52 R56	H52-K54 PolarHBondContact O-N 3.17Å; K54-R56 PolarHBondContact O-N 2.78Å
55	Y	30.8	Very low	30.1	Very low	189 Å²	189	143.4 Å²	143.4	74%	0.741	77%	0.767	S	S	*	*			trans	-66.6	118.3	165.3	-87.5	-82.1	0	0	0	109.1	L53	L53-Y55 HydrophobicContact CB-CD2 4.37Å; L53-Y55 HydrophobicContact CB-CE2 4.26Å; L53-Y55 PolarHBondContact O-N 3.15Å; L53-Y55 VanDerWaalsContact O-N 3.08Å
56	R	29.4	Very low	29.8	Very low	227 Å²	227	146.8 Å²	146.8	86%	0.857	78%	0.775	S	S	*	*			trans	-72.8	123.2	168	-155.8	178.3	-169.3	-179.5	1.5	105.8	K54 V58	K54-R56 PolarHBondContact O-N 2.78Å; R56-V58 PolarHBondContact O-N 3.03Å
57	K	27.2	Very low	29.7	Very low	195 Å²	195	147.3 Å²	147.3	85%	0.848	77%	0.771	S	S	*	*			trans	-45.2	112.7	169.7	-88.1	-178.8	171.1	-177.4	0	108.8
58	V	31.8	Very low	29.7	Very low	134 Å²	134	148.6 Å²	148.6	81%	0.812	77%	0.771	S	S	*	*			trans	-91.9	113.8	161.4	-175	0	0	0	0	105	R56	R56-V58 PolarHBondContact O-N 3.03Å
59	N	30.6	Very low	29.9	Very low	131 Å²	131	148.9 Å²	148.9	70%	0.701	78%	0.775	S	S	*	*			trans	-63.4	143.6	178.4	-75.6	-20.4	0	0	0	110.4	C61	N59-C61 PolarHBondContact O-N 3.47Å
60	N	27.7	Very low	29.8	Very low	157 Å²	157	153.1 Å²	153.1	84%	0.84	78%	0.783	S	S	*	*			trans	-18.3	113.4	168.6	-62.3	-9.2	0	0	0	115.1
61	C	29	Very low	29.9	Very low	110 Å²	110	153.1 Å²	153.1	74%	0.743	79%	0.789	S	S	*	*			trans	-104.7	108	153.3	-67	0	0	0	0	107.4	N59 L63	N59-C61 PolarHBondContact O-N 3.47Å; C61-L63 PolarHBondContact O-N 3.25Å
62	N	26.7	Very low	29.9	Very low	151 Å²	151	149.1 Å²	149.1	81%	0.807	78%	0.784	S	S	*	*			trans	-54.8	120.1	164.9	-67	-30.2	0	0	0	108.9
63	L	30.6	Very low	29.7	Very low	153 Å²	153	145.7 Å²	145.7	80%	0.801	78%	0.784	S	S	*	*			trans	-115.6	83	161.2	-90.2	145.7	0	0	0	106.8	C61 C65	C61-L63 PolarHBondContact O-N 3.25Å; L63-C65 PolarHBondContact O-N 3.08Å
64	S	27	Very low	29.8	Very low	108 Å²	108	147.8 Å²	147.8	76%	0.755	80%	0.796	S	S	*	*			trans	-68.8	111.2	155.1	49.6	0	0	0	0	107.6
65	C	32.3	Very low	29.7	Very low	113 Å²	113	147.8 Å²	147.8	76%	0.764	80%	0.796	S	S	*	*			trans	-122.5	81.4	161.9	-61.9	0	0	0	0	107	L63	L63-C65 PolarHBondContact O-N 3.08Å
66	E	27.2	Very low	29.7	Very low	176 Å²	176	146.1 Å²	146.1	82%	0.822	80%	0.798	S	S	*	*			trans	-63.3	121	153.2	-96.9	178.3	169.6	0	0	108.2
67	N	29.8	Very low	29.5	Very low	123 Å²	123	146 Å²	146	66%	0.658	80%	0.798	S	S	*	*				159.8	128.7	113.8	-86	-13.4	0	0	0	112.6
68	D	29.1	Very low	29.6	Very low	130 Å²	130	142.6 Å²	142.6	70%	0.695	80%	0.796	S	S	*	*			trans	65	103.6	138.8	-53	-26.3	0	0	0	118.5
69	L	33.9	Very low	29.4	Very low	176 Å²	176	141.1 Å²	141.1	92%	0.921	79%	0.787	S	S	*	*				-166.9	113.9	107.5	-95.5	158	0	0	0	110.7
70	D	28.5	Very low	29.1	Very low	155 Å²	155	141.2 Å²	141.2	83%	0.829	80%	0.797	S	S	*	*			trans	-80.4	120.2	-178.7	-162.3	12.7	0	0	0	110.1
71	V	33.6	Very low	29.2	Very low	148 Å²	148	138.3 Å²	138.3	90%	0.897	78%	0.784	S	S	*	*			trans	-152.1	111.9	154.7	-175	0	0	0	0	110
72	G	31.3	Very low	29	Very low	69 Å²	69	141.1 Å²	141.1	71%	0.711	79%	0.792	S	S	*	*			trans	102.3	68.9	145	0	0	0	0	0	116.7
73	A	27.1	Very low	29.1	Very low	92 Å²	92	142.2 Å²	142.2	76%	0.76	79%	0.79	S	S	*	*			trans	-62.9	129.4	162.5	0	0	0	0	0	111.5
74	D	31.6	Very low	28.8	Very low	165 Å²	165	140.6 Å²	140.6	88%	0.882	79%	0.786	S	S	*	*			trans	-129.8	117.4	144.7	-113.2	-23.2	0	0	0	109.7	I76	D74-I76 PolarHBondContact O-N 3Å
75	K	29	Very low	28.8	Very low	201 Å²	201	141.3 Å²	141.3	87%	0.874	79%	0.788	S	S	*	*			trans	-73.9	103.9	-172.9	-73.6	172	176.1	171.8	0	109.8
76	I	30.2	Very low	28.6	Very low	154 Å²	154	141.6 Å²	141.6	79%	0.79	79%	0.786	S	S	*	*			trans	-121.8	103.6	158.1	-56.8	179.4	0	0	0	108.4	D74 P78	D74-I76 PolarHBondContact O-N 3Å; I76-P78 VanDerWaalsContact O-CD 3.31Å; I76-P78 WeakPolarHBondContact O-CD 3.02Å
77	R	25.8	Very low	28.6	Very low	226 Å²	226	138.5 Å²	138.5	85%	0.853	78%	0.779	S	S	*	*			trans	-60	123.8	169.8	-175.1	-173.8	-159.9	175.8	4.7	109.5
78	P	28.7	Very low	28.6	Very low	123 Å²	123	136.7 Å²	136.7	80%	0.799	77%	0.77	S	S	*	*			trans	-99.5	101.9	161.1	5.6	16.1	0	0	0	108.1	I76	I76-P78 VanDerWaalsContact O-CD 3.31Å; I76-P78 WeakPolarHBondContact O-CD 3.02Å
79	T	27	Very low	28.6	Very low	103 Å²	103	137.8 Å²	137.8	63%	0.632	78%	0.775	S	S	*	*			trans	-44.4	136.2	159.3	-36.5	0	0	0	0	110.5	V81	T79-V81 PolarHBondContact O-N 3.31Å; T79-V81 VanDerWaalsContact O-N 3.11Å
80	C	24.6	Very low	28.4	Very low	133 Å²	133	135.6 Å²	135.6	90%	0.899	76%	0.756	S	S	*	*			trans	-52.6	113.8	165.8	-58.1	0	0	0	0	109
81	V	29.6	Very low	28.5	Very low	95 Å²	95	131.7 Å²	131.7	58%	0.576	74%	0.74	S	S	*	*			trans	-137.5	112.6	170.2	-174.9	0	0	0	0	107.1	T79 K83	T79-V81 PolarHBondContact O-N 3.31Å; T79-V81 VanDerWaalsContact O-N 3.11Å; V81-K83 HydrophobicContact CG1-CG 4.05Å; V81-K83 PolarHBondContact O-N 3.38Å
82	D	25.7	Very low	28.4	Very low	169 Å²	169	127.8 Å²	127.8	90%	0.904	72%	0.724	S	S	*	*			trans	-45.1	106.4	162.8	-68	-50.4	0	0	0	109.5
83	K	28.1	Very low	28.5	Very low	175 Å²	175	133.4 Å²	133.4	76%	0.761	73%	0.729	S	S	*	*			trans	-124.6	102.8	173	-74	-172.6	179	-180	0	109	V81	V81-K83 HydrophobicContact CG1-CG 4.05Å; V81-K83 PolarHBondContact O-N 3.38Å
84	T	24.9	Very low	29	Very low	119 Å²	119	134.6 Å²	134.6	73%	0.73	72%	0.719	S	S	*	*			trans	-26.5	140.7	156.6	36.4	0	0	0	0	113.6	V86	T84-V86 PolarHBondContact O-N 3.31Å; T84-V86 VanDerWaalsContact O-N 3.1Å
85	P	27.2	Very low	29.2	Very low	123 Å²	123	133 Å²	133	80%	0.799	71%	0.709	S	S	*	*			trans	-63.1	116.5	177.1	27.1	-31.9	0	0	0	109.3	V87	P85-V87 PolarHBondContact O-N 2.85Å
86	V	26.9	Very low	29.4	Very low	118 Å²	118	130.3 Å²	130.3	72%	0.715	70%	0.704	S	S	*	*			trans	-72	110.5	170.2	179.2	0	0	0	0	106.8	T84 N88	T84-V86 PolarHBondContact O-N 3.31Å; T84-V86 VanDerWaalsContact O-N 3.1Å; V86-N88 WeakPolarHBondContact CG1-OD1 3.32Å; V86-N88 PolarHBondContact O-N 3.03Å
87	V	28.5	Very low	29.5	Very low	112 Å²	112	131.1 Å²	131.1	68%	0.679	70%	0.702	S	S	*	*			trans	-73.1	105.5	170.4	178.1	0	0	0	0	107	P85 D89	P85-V87 PolarHBondContact O-N 2.85Å; V87-D89 PolarHBondContact O-N 2.91Å
88	N	30.1	Very low	29.7	Very low	85 Å²	85	131.9 Å²	131.9	46%	0.455	71%	0.705	S	S	.	*			trans	-86.4	102.6	171.3	-79.2	-6.1	0	0	0	108.8	V86 Y90	V86-N88 WeakPolarHBondContact CG1-OD1 3.32Å; V86-N88 PolarHBondContact O-N 3.03Å; N88-Y90 VanDerWaalsContact C-N 3.32Å; N88-Y90 HydrophobicContact CB-CD2 3.81Å; N88-Y90 HydrophobicContact CB-CE2 3.39Å; N88-Y90 PolarHBondContact ND2-OH 3.17Å; N88-Y90 WeakPolarHBondContact O-CD2 3.36Å; N88-Y90 PolarHBondContact O-N 3.19Å
89	D	28.2	Very low	29.7	Very low	152 Å²	152	135.9 Å²	135.9	81%	0.813	71%	0.705	S	S	*	*			trans	-69.5	85.4	168.9	-74.7	-34.7	0	0	0	110	V87 S91	V87-D89 PolarHBondContact O-N 2.91Å; D89-S91 PolarHBondContact O-N 3.44Å
90	Y	30.8	Very low	29.9	Very low	130 Å²	130	136.4 Å²	136.4	51%	0.51	71%	0.71	S	S	.	*			trans	-76.1	119.3	173.1	-75	-75.4	0	0	0	110.9	N88 E94	N88-Y90 VanDerWaalsContact C-N 3.32Å; N88-Y90 HydrophobicContact CB-CD2 3.81Å; N88-Y90 HydrophobicContact CB-CE2 3.39Å; N88-Y90 PolarHBondContact ND2-OH 3.17Å; N88-Y90 WeakPolarHBondContact O-CD2 3.36Å; N88-Y90 PolarHBondContact O-N 3.19Å; Y90-E94 VanDerWaalsContact CD1-OE2 3.29Å; Y90-E94 WeakPolarHBondContact CD1-OE2 3.48Å
91	S	29.7	Very low	30.1	Very low	73 Å²	73	137.8 Å²	137.8	51%	0.51	71%	0.707	S	S	.	*			trans	-66.9	145.5	172.9	82	0	0	0	0	111.3	D89 K93 E94	D89-S91 PolarHBondContact O-N 3.44Å; S91-K93 PolarHBondContact O-N 3.39Å; S91-E94 PolarHBondContact O-N 3.01Å
92	A	30.9	Very low	30.2	Very low	67 Å²	67	140 Å²	140	55%	0.554	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-8.8	-175.4	0	0	0	0	0	115.9
93	K	34.1	Very low	30.4	Very low	186 Å²	186	136.9 Å²	136.9	81%	0.809	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-19.1	177.3	-72.2	-178	177.2	178.2	0	114.1	S91	S91-K93 PolarHBondContact O-N 3.39Å
94	E	36.5	Very low	30.6	Very low	118 Å²	118	135 Å²	135	55%	0.551	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-23.4	-179.1	-68.9	-164.1	149.5	0	0	114	Y90 S91 L96	Y90-E94 VanDerWaalsContact CD1-OE2 3.29Å; Y90-E94 WeakPolarHBondContact CD1-OE2 3.48Å; S91-E94 PolarHBondContact O-N 3.01Å; E94-L96 PolarHBondContact O-N 2.85Å
95	L	37.3	Very low	31	Very low	130 Å²	130	137.3 Å²	137.3	68%	0.681	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-5.5	177.4	-67.5	171.8	0	0	0	114
96	L	33.3	Very low	31.2	Very low	145 Å²	145	135.4 Å²	135.4	76%	0.759	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	11.4	179.4	-79.4	164.8	0	0	0	113.8	E94 R98	E94-L96 PolarHBondContact O-N 2.85Å; L96-R98 PolarHBondContact O-N 3.04Å
97	K	31.8	Very low	31.6	Very low	172 Å²	172	136.9 Å²	136.9	75%	0.748	69%	0.688	S	S	*	*	S	Bend	trans	-69.7	113.6	168.2	-86.6	-179.4	177.6	172.9	0	109.4	Y99	K97-Y99 PolarHBondContact O-N 3.12Å; K97-Y99 VanDerWaalsContact O-N 3.09Å
98	R	30	Very low	31.9	Very low	242 Å²	242	136.6 Å²	136.6	91%	0.913	68%	0.682	S	S	*	*			trans	-44.7	115.3	172	-72.3	-178.5	177.6	176.3	-0.6	109.6	L96	L96-R98 PolarHBondContact O-N 3.04Å
99	Y	28.8	Very low	32.2	Very low	207 Å²	207	139.7 Å²	139.7	81%	0.812	69%	0.694	S	S	*	*			trans	-58.8	136.4	166.2	-80.4	-87.3	0	0	0	108.7	K97 I101	K97-Y99 PolarHBondContact O-N 3.12Å; K97-Y99 VanDerWaalsContact O-N 3.09Å; Y99-I101 PolarHBondContact O-N 3.19Å; Y99-I101 VanDerWaalsContact O-N 3.1Å
100	P	30.3	Very low	32.7	Very low	114 Å²	114	141.5 Å²	141.5	74%	0.74	69%	0.694	S	S	*	*			trans	-61.8	118.5	177.3	24.8	-30.5	0	0	0	108.4	L102	P100-L102 PolarHBondContact O-N 3.13Å
101	I	30.3	Very low	33	Very low	161 Å²	161	143.3 Å²	143.3	83%	0.826	71%	0.708	S	S	*	*			trans	-65.3	101.4	171.3	-60.9	168.7	0	0	0	105.9	Y99	Y99-I101 PolarHBondContact O-N 3.19Å; Y99-I101 VanDerWaalsContact O-N 3.1Å
102	L	30.2	Very low	33.4	Very low	143 Å²	143	147.8 Å²	147.8	75%	0.749	72%	0.718	S	S	*	*			trans	-63.1	130.1	169.2	-81	165.2	0	0	0	108.4	P100 Y104	P100-L102 PolarHBondContact O-N 3.13Å; L102-Y104 PolarHBondContact O-N 3.48Å
103	P	30	Very low	33.8	Very low	103 Å²	103	151.5 Å²	151.5	67%	0.669	73%	0.728	S	S	*	*			trans	-60.6	123.3	-177.7	-17.4	29	0	0	0	110.2	E105	P103-E105 PolarHBondContact O-N 2.58Å
104	Y	33.7	Very low	33.9	Very low	136 Å²	136	151.7 Å²	151.7	53%	0.533	73%	0.729	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.5	9	-168.7	-142.7	-90.8	0	0	0	114	L102 K544 N548	L102-Y104 PolarHBondContact O-N 3.48Å; Y104-K544 VanDerWaalsContact CE1-NZ 3.26Å; Y104-K544 WeakPolarHBondContact OH-CE 3.39Å; Y104-K544 PolarHBondContact OH-NZ 3.34Å; Y104-K544 VanDerWaalsContact OH-NZ 3.15Å; Y104-N548 PolarHBondContact OH-ND2 3.1Å
105	E	32	Very low	33.6	Very low	167 Å²	167	152.4 Å²	152.4	78%	0.78	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-12.7	-169.4	-75.2	178	155.1	0	0	114.8	P103	P103-E105 PolarHBondContact O-N 2.58Å
106	S	32.7	Very low	33.3	Very low	82 Å²	82	155.3 Å²	155.3	57%	0.573	76%	0.756	S	S	*	*	S	Bend	trans	-95.5	-5.9	-174.1	59.6	0	0	0	0	116.2
107	L	34.5	Very low	33.4	Very low	149 Å²	149	155.3 Å²	155.3	78%	0.78	76%	0.757	S	S	*	*	S	Bend	trans	-100.7	-16.3	179.8	-80.4	165.4	0	0	0	114.3
108	L	35.5	Very low	33.4	Very low	106 Å²	106	152.9 Å²	152.9	56%	0.555	76%	0.756	S	S	*	*	S	Bend	trans	-93.5	-7.6	179.3	-95.1	151.3	0	0	0	114.1
109	E	34.7	Very low	33.6	Very low	150 Å²	150	151.5 Å²	151.5	70%	0.701	76%	0.757	S	S	*	*	S	Bend	trans	-96.8	-15.6	176.5	-72	-168.6	148.8	0	0	113.9
110	K	39.8	Very low	33.9	Very low	190 Å²	190	150.7 Å²	150.7	83%	0.826	76%	0.758	S	S	*	*	S	Bend	trans	-87	-11.4	179.1	-79.2	-177.2	175.7	178.2	0	115.2
111	E	37.6	Very low	34.1	Very low	169 Å²	169	150.7 Å²	150.7	79%	0.79	76%	0.758	S	S	*	*	S	Bend	trans	-98.2	-2.6	176.9	-88.1	-172.4	151.3	0	0	114.7	N113	E111-N113 PolarHBondContact O-N 3.42Å
112	K	38.3	Very low	34.3	Very low	166 Å²	166	154.9 Å²	154.9	72%	0.722	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-3.5	-177.1	-76.8	-176.8	179.1	173.7	0	115.6
113	N	37.8	Very low	34.3	Very low	145 Å²	145	158.5 Å²	158.5	78%	0.775	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.6	14	-168.7	-72.9	-13.5	0	0	0	116.5	E111	E111-N113 PolarHBondContact O-N 3.42Å
114	K	36	Very low	34.5	Very low	190 Å²	190	162.4 Å²	162.4	83%	0.826	78%	0.776	S	S	*	*	S	Bend	trans	-146.9	96.3	172.8	-71	-174.5	-180	178.4	0	110.7
115	C	31.6	Very low	34.5	Very low	134 Å²	134	161.5 Å²	161.5	91%	0.905	79%	0.79	S	S	*	*			trans	148.3	61.2	157.1	-76.4	0	0	0	0	110.3	D117	C115-D117 PolarHBondContact O-N 3.29Å
116	Q	31.2	Very low	34.8	Very low	190 Å²	190	162.1 Å²	162.1	89%	0.888	80%	0.797	S	S	*	*			trans	-82.8	92.6	148.2	-81.5	-178.3	-7.3	0	0	105.8
117	D	34.9	Very low	35.1	Very low	146 Å²	146	166.1 Å²	166.1	78%	0.781	81%	0.811	S	S	*	*	S	Bend	trans	-168.1	115.5	151.3	-97	-30	0	0	0	111.9	C115	C115-D117 PolarHBondContact O-N 3.29Å
118	V	31.4	Very low	35.3	Very low	121 Å²	121	166.8 Å²	166.8	73%	0.733	82%	0.816	S	S	*	*			trans	54	82.5	147.9	-161.7	0	0	0	0	118.1
119	F	33.8	Very low	35.3	Very low	212 Å²	212	173.6 Å²	173.6	93%	0.93	83%	0.834	S	S	*	*			trans	-133.8	100.2	150	-100.5	-87.3	0	0	0	111.7
120	K	36.4	Very low	35.2	Very low	190 Å²	190	175.3 Å²	175.3	83%	0.826	84%	0.844	S	S	*	*			trans	-67.6	129	169.1	-73.1	-179.6	176.9	176.8	0	109.6	R122	K120-R122 PolarHBondContact O-N 3.4Å; K120-R122 VanDerWaalsContact O-N 3.09Å
121	P	34.3	Very low	34.9	Very low	115 Å²	115	174.2 Å²	174.2	75%	0.747	84%	0.844	S	S	*	*			trans	-76	102.6	175	29.4	-30	0	0	0	109.5	R123	P121-R123 VanDerWaalsContact C-N 3.33Å; P121-R123 PolarHBondContact O-N 2.91Å
122	R	33.3	Very low	34.8	Very low	249 Å²	249	171.8 Å²	171.8	94%	0.94	84%	0.843	S	S	*	*			trans	-72.8	86.9	171.7	-146.9	179.4	-170.7	-178	3.4	109.1	K120	K120-R122 PolarHBondContact O-N 3.4Å; K120-R122 VanDerWaalsContact O-N 3.09Å
123	R	31.1	Very low	35	Very low	218 Å²	218	169.5 Å²	169.5	82%	0.823	84%	0.843	S	S	*	*			trans	-73.3	145.2	166.6	-77.7	-179.1	160.6	174.6	-3.9	109.6	P121	P121-R123 VanDerWaalsContact C-N 3.33Å; P121-R123 PolarHBondContact O-N 2.91Å
124	Q	33.9	Very low	35	Very low	186 Å²	186	169.3 Å²	169.3	87%	0.869	85%	0.847	S	S	*	*			trans	77.5	108	168.3	-59.6	170.7	-10.8	0	0	117.3
125	S	34.1	Very low	35.2	Very low	117 Å²	117	170.9 Å²	170.9	82%	0.818	85%	0.848	S	S	*	*			trans	163.6	53.7	138.9	50.3	0	0	0	0	114.3
126	L	38.2	Very low	35.5	Very low	179 Å²	179	172.8 Å²	172.8	94%	0.937	84%	0.843	S	S	*	*			trans	-138.2	18.4	169.3	-94.5	170.9	0	0	0	115.2
127	L	39.1	Very low	35.8	Very low	166 Å²	166	169.3 Å²	169.3	87%	0.869	84%	0.837	S	S	*	*			trans	-94.2	7.6	-178.7	-91.1	164.1	0	0	0	116.2
128	N	37.3	Very low	36.2	Very low	164 Å²	164	170.4 Å²	170.4	88%	0.877	84%	0.841	S	S	*	*			trans	-121.6	49.2	-173.5	-73.2	-16.9	0	0	0	115.2
129	R	37.2	Very low	36.5	Very low	249 Å²	249	173.4 Å²	173.4	94%	0.94	85%	0.845	S	S	*	*			trans	-136.7	58	165.8	-111.3	-178.7	179.9	173.7	0	112.1	M131	R129-M131 PolarHBondContact O-N 3.25Å
130	M	31	Very low	36.7	Very low	185 Å²	185	166.6 Å²	166.6	91%	0.911	83%	0.827	S	S	*	*			trans	-77.5	112.2	157.4	-84.2	178.5	64.6	0	0	108.1
131	M	33.8	Very low	36.5	Very low	168 Å²	168	169.1 Å²	169.1	83%	0.828	83%	0.831	S	S	*	*			trans	-60.5	134	164.6	-90.6	-159.1	164.7	0	0	109.3	R129 T133	R129-M131 PolarHBondContact O-N 3.25Å; M131-T133 PolarHBondContact O-N 2.88Å
132	P	36.5	Very low	36.5	Very low	117 Å²	117	171 Å²	171	76%	0.76	83%	0.83	S	S	*	*			trans	-73.6	97.9	171.4	29	-28.6	0	0	0	108	V134	P132-V134 PolarHBondContact O-N 3.42Å; P132-V134 VanDerWaalsContact O-N 3.15Å
133	T	42.3	Very low	36.5	Very low	118 Å²	118	165 Å²	165	72%	0.724	83%	0.826	S	S	*	*			trans	-73.8	104.8	164.1	42.9	0	0	0	0	107.7	M131 R135	M131-T133 PolarHBondContact O-N 2.88Å; T133-R135 PolarHBondContact O-N 3.39Å
134	V	37.1	Very low	36.6	Very low	141 Å²	141	161.7 Å²	161.7	86%	0.855	82%	0.824	S	S	*	*			trans	-67.8	71.5	169.4	-166.8	0	0	0	0	108.2	P132	P132-V134 PolarHBondContact O-N 3.42Å; P132-V134 VanDerWaalsContact O-N 3.15Å
135	R	39.9	Very low	36.4	Very low	224 Å²	224	161.3 Å²	161.3	85%	0.845	82%	0.822	S	S	*	*			trans	-106.8	111.9	165.3	-78.2	-169.3	171.5	-160.3	-1.6	107.3	T133	T133-R135 PolarHBondContact O-N 3.39Å
136	Q	39.2	Very low	36.2	Very low	174 Å²	174	162.3 Å²	162.3	81%	0.813	82%	0.818	S	S	*	*			trans	-55	135.4	173.7	-67.9	-167.5	-22.6	0	0	109.3	I138	Q136-I138 PolarHBondContact O-N 2.85Å; Q136-I138 VanDerWaalsContact O-N 3.12Å
137	P	37.8	Very low	35.9	Very low	116 Å²	116	158 Å²	158	75%	0.753	81%	0.809	S	S	*	*			trans	-60.9	120.2	170.3	24.7	-30.1	0	0	0	107.5	K139	P137-K139 VanDerWaalsContact C-N 3.27Å; P137-K139 PolarHBondContact O-N 2.93Å
138	I	42.5	Very low	35.7	Very low	170 Å²	170	159.1 Å²	159.1	87%	0.872	81%	0.806	S	S	*	*			trans	-64.5	97.5	168	-59.5	172.7	0	0	0	105.4	Q136 A140	Q136-I138 PolarHBondContact O-N 2.85Å; Q136-I138 VanDerWaalsContact O-N 3.12Å; I138-A140 PolarHBondContact O-N 3.25Å
139	K	37.9	Very low	35.6	Very low	184 Å²	184	158.9 Å²	158.9	80%	0.8	81%	0.805	S	S	*	*			trans	-61.2	108.1	167.3	-85.9	-177.7	174.4	178.9	0	106.7	P137 R141	P137-K139 VanDerWaalsContact C-N 3.27Å; P137-K139 PolarHBondContact O-N 2.93Å; K139-R141 PolarHBondContact O-N 3.05Å
140	A	38.1	Very low	35.4	Very low	68 Å²	68	153.7 Å²	153.7	56%	0.562	80%	0.796	S	S	*	*			trans	-56.6	109.6	159.9	0	0	0	0	0	106.9	I138 H142	I138-A140 PolarHBondContact O-N 3.25Å; A140-H142 VanDerWaalsContact C-N 3.25Å; A140-H142 PolarHBondContact O-N 2.68Å
141	R	32.8	Very low	35.5	Very low	243 Å²	243	151.3 Å²	151.3	92%	0.917	79%	0.787	S	S	*	*			trans	-69.7	90.2	169.6	-75.5	-175.9	171.7	-175.8	-2.6	107	K139	K139-R141 PolarHBondContact O-N 3.05Å
142	H	34.1	Very low	35.4	Very low	155 Å²	155	150.3 Å²	150.3	72%	0.718	78%	0.783	S	S	*	*			trans	-82.3	117.4	157.2	-63.6	-66.5	0	0	0	106.9	A140 L144	A140-H142 VanDerWaalsContact C-N 3.25Å; A140-H142 PolarHBondContact O-N 2.68Å; H142-L144 PolarHBondContact O-N 3.43Å
143	S	32.4	Very low	35	Very low	122 Å²	122	148.9 Å²	148.9	85%	0.853	78%	0.775	S	S	*	*			trans	-64.1	86.3	169.2	-41.9	0	0	0	0	108.2	H145	S143-H145 VanDerWaalsContact C-N 3.33Å; S143-H145 PolarHBondContact O-N 3.09Å; S143-H145 VanDerWaalsContact O-N 3.17Å
144	L	33.4	Very low	34.3	Very low	149 Å²	149	151.5 Å²	151.5	78%	0.78	78%	0.779	S	S	*	*			trans	-76.8	94.2	161.8	-84.3	162.2	0	0	0	106.3	H142 N146	H142-L144 PolarHBondContact O-N 3.43Å; L144-N146 PolarHBondContact O-N 2.84Å
145	H	29.9	Very low	34	Very low	178 Å²	178	150.1 Å²	150.1	82%	0.824	78%	0.776	S	S	*	*			trans	-68.9	86.6	169.4	-153.9	-66.8	0	0	0	107.6	S143 A147	S143-H145 VanDerWaalsContact C-N 3.33Å; S143-H145 PolarHBondContact O-N 3.09Å; S143-H145 VanDerWaalsContact O-N 3.17Å; H145-A147 VanDerWaalsContact C-N 3.3Å; H145-A147 PolarHBondContact O-N 2.94Å
146	N	29.5	Very low	33.5	Very low	138 Å²	138	142.2 Å²	142.2	74%	0.738	76%	0.764	S	S	*	*			trans	-70.5	91.9	166.3	-82	-17.1	0	0	0	107.6	L144 K148	L144-N146 PolarHBondContact O-N 2.84Å; N146-K148 PolarHBondContact O-N 3.25Å
147	A	32.3	Very low	33.2	Very low	90 Å²	90	141.9 Å²	141.9	74%	0.744	77%	0.768	S	S	*	*			trans	-72.5	79.8	159.6	0	0	0	0	0	108.4	H145	H145-A147 VanDerWaalsContact C-N 3.3Å; H145-A147 PolarHBondContact O-N 2.94Å
148	K	33.9	Very low	32.7	Very low	189 Å²	189	144.9 Å²	144.9	82%	0.822	77%	0.769	S	S	*	*			trans	-92.1	94	145	-86	-172.5	176.3	-176.1	0	105.2	N146	N146-K148 PolarHBondContact O-N 3.25Å
149	N	36.1	Very low	32.3	Very low	158 Å²	158	143.3 Å²	143.3	85%	0.845	77%	0.767	S	S	*	*			trans	-151.2	129.6	146.7	-99.8	-12.3	0	0	0	108.3
150	N	33.1	Very low	31.8	Very low	140 Å²	140	142.6 Å²	142.6	75%	0.749	76%	0.764	S	S	*	*			trans	-59.7	151.3	-179.9	-61	-34.1	0	0	0	110.2
151	N	32.2	Very low	31.8	Very low	136 Å²	136	147.2 Å²	147.2	73%	0.727	78%	0.778	S	S	*	*			trans	72.5	117.8	145.4	-60.2	-9.8	0	0	0	118.2
152	I	31.9	Very low	31.7	Very low	146 Å²	146	141.9 Å²	141.9	75%	0.749	77%	0.772	S	S	*	*				84.4	120.1	129.9	-62.8	169.6	0	0	0	117.2
153	C	28.2	Very low	31.5	Very low	87 Å²	87	138.2 Å²	138.2	59%	0.588	78%	0.777	S	S	*	*			trans	66.4	117.1	149	-68.6	0	0	0	0	118.9
154	E	28.9	Very low	31.6	Very low	174 Å²	174	139.9 Å²	139.9	81%	0.813	77%	0.771	S	S	*	*				85.2	132	103	-72.7	170.2	-160.5	0	0	109.5
155	S	30.2	Very low	31.8	Very low	112 Å²	112	140.5 Å²	140.5	78%	0.783	77%	0.767	S	S	*	*			cis	178.5	160.3	33.8	35.6	0	0	0	0	107.6
156	G	29.1	Very low	32	Very low	57 Å²	57	139.3 Å²	139.3	59%	0.588	77%	0.767	S	S	*	*			trans	100.7	110.8	166.3	0	0	0	0	0	112
157	D	32.1	Very low	32.2	Very low	168 Å²	168	141 Å²	141	90%	0.898	77%	0.771	S	S	*	*			cis	-138.9	132.2	34.2	-71.5	-40.3	0	0	0	112
158	F	28.7	Very low	32.2	Very low	178 Å²	178	142.7 Å²	142.7	78%	0.781	77%	0.774	S	S	*	*			trans	-79.9	127.8	175.7	-79.9	-96.3	0	0	0	110.8
159	V	32.6	Very low	32.1	Very low	138 Å²	138	140.7 Å²	140.7	84%	0.836	77%	0.77	S	S	*	*			trans	-107.9	102.4	147	177.4	0	0	0	0	106.7
160	K	28.6	Very low	31.9	Very low	169 Å²	169	138.7 Å²	138.7	74%	0.735	76%	0.764	S	S	*	*			trans	-69.6	120.9	174.8	-82.6	176.6	173.3	176.6	0	109.6
161	I	38	Very low	31.9	Very low	165 Å²	165	138.7 Å²	138.7	85%	0.846	76%	0.762	S	S	*	*			trans	-124	100.7	149.9	-57.6	178.7	0	0	0	105.8
162	T	30.3	Very low	31.9	Very low	130 Å²	130	141.4 Å²	141.4	80%	0.798	76%	0.762	S	S	*	*			trans	-74.7	130.8	175	36.1	0	0	0	0	110.1
163	G	31.2	Very low	31.8	Very low	79 Å²	79	141.6 Å²	141.6	81%	0.814	77%	0.765	S	S	*	*			trans	-177.8	88.8	176.1	0	0	0	0	0	111.2
164	E	33.2	Very low	31.9	Very low	157 Å²	157	143.7 Å²	143.7	73%	0.734	77%	0.77	S	S	*	*			trans	-27.1	144	-178.4	-65.6	-171.6	165.6	0	0	121.2
165	K	37.8	Very low	32.2	Very low	161 Å²	161	140 Å²	140	70%	0.7	76%	0.764	S	S	*	*			trans	80.4	95.4	143.7	-71.9	161.7	-174.3	149.5	0	118.9
166	N	33.2	Very low	32.4	Very low	153 Å²	153	140.7 Å²	140.7	82%	0.818	77%	0.767	S	S	*	*				60.9	73.3	126.2	-59.6	-10.4	0	0	0	118.3
167	Q	33.8	Very low	33	Very low	175 Å²	175	145.5 Å²	145.5	82%	0.818	77%	0.774	S	S	*	*			trans	-156.9	135.4	131.1	-71.2	-157.2	-2.7	0	0	109.4	I169	Q167-I169 PolarHBondContact O-N 3.14Å
168	P	32.9	Very low	33.4	Very low	124 Å²	124	143.9 Å²	143.9	81%	0.805	76%	0.761	S	S	*	*			trans	-71.8	103.1	171.9	28.7	-29.2	0	0	0	108.6	V170	P168-V170 PolarHBondContact O-N 3.17Å
169	I	31.5	Very low	33.9	Very low	147 Å²	147	143 Å²	143	75%	0.754	76%	0.76	S	S	*	*			trans	-68.6	105.5	168.7	-63.9	173.6	0	0	0	107.1	Q167 I171	Q167-I169 PolarHBondContact O-N 3.14Å; I169-I171 HydrophobicContact CG2-CG1 4.17Å; I169-I171 PolarHBondContact O-N 2.8Å
170	V	32.5	Very low	34.3	Very low	116 Å²	116	139.1 Å²	139.1	70%	0.703	74%	0.741	S	S	*	*			trans	-63.1	95.8	167.7	177.4	0	0	0	0	107.7	P168 R172	P168-V170 PolarHBondContact O-N 3.17Å; V170-R172 HydrophobicContact CG1-CG 4.12Å; V170-R172 PolarHBondContact O-N 2.98Å
171	I	32.6	Very low	35.1	Very low	141 Å²	141	138 Å²	138	72%	0.723	74%	0.737	S	S	*	*			trans	-76.4	85.9	165.8	-56.1	177.9	0	0	0	106.6	I169 N173	I169-I171 HydrophobicContact CG2-CG1 4.17Å; I169-I171 PolarHBondContact O-N 2.8Å; I171-N173 PolarHBondContact O-N 3.45Å
172	R	33.3	Very low	35.4	Very low	193 Å²	193	135.3 Å²	135.3	73%	0.728	72%	0.723	S	S	*	*			trans	-62.3	114.2	162.3	-99	-177.5	-178.3	162	-0.3	107.1	V170 N174	V170-R172 HydrophobicContact CG1-CG 4.12Å; V170-R172 PolarHBondContact O-N 2.98Å; R172-N174 PolarHBondContact O-N 2.97Å
173	N	29.7	Very low	35.6	Very low	150 Å²	150	137.7 Å²	137.7	80%	0.802	72%	0.717	S	S	*	*			trans	-65.3	77.3	164.6	-76.8	-21.5	0	0	0	109.5	I171	I171-N173 PolarHBondContact O-N 3.45Å
174	N	30.1	Very low	36	Very low	130 Å²	130	138.7 Å²	138.7	70%	0.695	70%	0.704	S	S	*	*			trans	-98.1	75.8	171.6	-75.1	-4.5	0	0	0	108.5	R172	R172-N174 PolarHBondContact O-N 2.97Å
175	S	34.1	Very low	36.6	Very low	98 Å²	98	138 Å²	138	69%	0.685	70%	0.701	S	S	*	*			trans	-133.4	6.2	166.7	72.4	0	0	0	0	114.4
176	C	35.8	Very low	36.7	Very low	126 Å²	126	133.1 Å²	133.1	85%	0.851	69%	0.69	S	S	*	*	S	Bend	trans	-92.6	10.4	173.9	-86.3	0	0	0	0	114.7
177	H	40.9	Very low	37.1	Very low	158 Å²	158	132.3 Å²	132.3	73%	0.731	68%	0.679	S	S	*	*	S	Bend	trans	-116.9	-6.9	-171.6	-129.1	-49.9	0	0	0	116.2
178	E	40.4	Very low	37.5	Very low	133 Å²	133	129.6 Å²	129.6	62%	0.621	67%	0.671	S	S	*	*	S	Bend	trans	-89.3	-39.2	178.2	-83.3	-94	131.2	0	0	112.5	A180 K181 I182	E178-A180 VanDerWaalsContact C-N 3.28Å; E178-A180 PolarHBondContact O-N 3.41Å; E178-K181 WeakPolarHBondContact O-CB 3.35Å; E178-K181 PolarHBondContact O-N 3.48Å; E178-I182 PolarHBondContact O-N 2.88Å
179	E	39.4	Very low	37.7	Very low	161 Å²	161	134.1 Å²	134.1	75%	0.752	67%	0.672	S	S	*	*	H	α-helix	trans	-65.5	-29.1	-178.1	-69.1	-176.3	161.2	0	0	113.2	W183	E179-W183 PolarHBondContact O-N 3.32Å
180	A	40.7	Very low	38.1	Very low	55 Å²	55	134.6 Å²	134.6	46%	0.455	68%	0.675	S	S	.	*	H	α-helix	trans	-75.3	-23.9	173.9	0	0	0	0	0	113.3	E178 N184	E178-A180 VanDerWaalsContact C-N 3.28Å; E178-A180 PolarHBondContact O-N 3.41Å; A180-N184 PolarHBondContact O-N 2.87Å; A180-N184 PolarHBondContact O-ND2 3.31Å
181	K	45.4	Very low	38.3	Very low	147 Å²	147	136 Å²	136	64%	0.639	68%	0.678	S	S	*	*	H	α-helix	trans	-78.5	-39.6	177.8	-114.6	179.3	178.7	-178.7	0	111.5	E178 W183 N184 Q185	E178-K181 WeakPolarHBondContact O-CB 3.35Å; E178-K181 PolarHBondContact O-N 3.48Å; K181-W183 VanDerWaalsContact C-N 3.3Å; K181-W183 PolarHBondContact O-N 3.36Å; K181-N184 PolarHBondContact O-N 3.5Å; K181-Q185 PolarHBondContact O-N 3.26Å
182	I	45.7	Very low	38.3	Very low	108 Å²	108	137.7 Å²	137.7	55%	0.554	68%	0.683	S	S	*	*	H	α-helix	trans	-65	-36.4	176.3	-61.2	169.5	0	0	0	110.7	E178 A186	E178-I182 PolarHBondContact O-N 2.88Å; I182-A186 PolarHBondContact O-N 3.44Å
183	W	33.6	Very low	38.3	Very low	180 Å²	180	133.7 Å²	133.7	68%	0.682	68%	0.684	S	S	*	*	H	α-helix	trans	-70.3	-34.2	178.6	-161.7	-111.9	0	0	0	113.9	E179 K181 K187	E179-W183 PolarHBondContact O-N 3.32Å; K181-W183 VanDerWaalsContact C-N 3.3Å; K181-W183 PolarHBondContact O-N 3.36Å; W183-K187 PolarHBondContact O-N 2.9Å
184	N	39.6	Very low	38.4	Very low	100 Å²	100	136.4 Å²	136.4	54%	0.535	69%	0.689	S	S	.	*	H	α-helix	trans	-77.3	-27.9	177.6	-76.6	-28.1	0	0	0	113	A180 K181	A180-N184 PolarHBondContact O-N 2.87Å; A180-N184 PolarHBondContact O-ND2 3.31Å; K181-N184 PolarHBondContact O-N 3.5Å
185	Q	45	Very low	38.5	Very low	143 Å²	143	138 Å²	138	67%	0.668	70%	0.696	S	S	*	*	H	α-helix	trans	-72.5	-33	171.7	-89.4	-178.5	-13.4	0	0	113	K181 N188 R189	K181-Q185 PolarHBondContact O-N 3.26Å; Q185-N188 PolarHBondContact O-N 3.34Å; Q185-R189 PolarHBondContact O-N 2.9Å
186	A	40.5	Very low	38.2	Very low	57 Å²	57	137.4 Å²	137.4	47%	0.471	70%	0.696	S	S	.	*	H	α-helix	trans	-72.4	-32.2	177.1	0	0	0	0	0	113.1	I182 N188 R189	I182-A186 PolarHBondContact O-N 3.44Å; A186-N188 VanDerWaalsContact C-N 3.32Å; A186-N188 PolarHBondContact O-N 3.45Å; A186-R189 PolarHBondContact O-N 3.26Å
187	K	42.4	Very low	38.1	Very low	136 Å²	136	140.7 Å²	140.7	59%	0.591	70%	0.699	S	S	*	*	H	α-helix	trans	-69.2	-26.6	174.9	-102.9	-176	173.9	-176.8	0	113.9	W183	W183-K187 PolarHBondContact O-N 2.9Å
188	N	40.9	Very low	37.5	Very low	119 Å²	119	141 Å²	141	64%	0.636	71%	0.706	S	S	*	*	H	α-helix	trans	-87.7	-15.5	178.5	-69.7	-15.1	0	0	0	113.3	Q185 A186	Q185-N188 PolarHBondContact O-N 3.34Å; A186-N188 VanDerWaalsContact C-N 3.32Å; A186-N188 PolarHBondContact O-N 3.45Å
189	R	38.6	Very low	37.1	Very low	219 Å²	219	142 Å²	142	83%	0.826	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-7.2	175.4	-81.3	-174.7	173.4	170.7	-1.1	114.9	Q185 A186	Q185-R189 PolarHBondContact O-N 2.9Å; A186-R189 PolarHBondContact O-N 3.26Å
190	L	38.3	Very low	36.7	Very low	157 Å²	157	140.2 Å²	140.2	82%	0.822	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	1.3	177.6	-131.7	98	0	0	0	114
191	L	37.9	Very low	36.3	Very low	145 Å²	145	144.1 Å²	144.1	76%	0.759	73%	0.734	S	S	*	*	S	Bend	trans	-100.7	0.8	-178.3	-113.3	117.1	0	0	0	114.2
192	E	32.8	Very low	35.6	Very low	177 Å²	177	143.4 Å²	143.4	83%	0.827	74%	0.743	S	S	*	*			trans	-119.3	63.9	-179.9	-69.6	-178.4	166.9	0	0	111.1
193	S	33.6	Very low	34.7	Very low	108 Å²	108	143.7 Å²	143.7	76%	0.755	75%	0.754	S	S	*	*			trans	-145.2	54.9	158.9	80	0	0	0	0	110.3
194	K	30.7	Very low	34.6	Very low	208 Å²	208	141 Å²	141	90%	0.904	76%	0.758	S	S	*	*			trans	-92.7	91.2	163.8	-79.5	-173.9	177.2	-179.7	0	108.2
195	I	32.4	Very low	34	Very low	164 Å²	164	145.4 Å²	145.4	84%	0.841	78%	0.775	S	S	*	*			trans	-117.6	106.7	160.4	-66.3	177	0	0	0	107.1
196	A	28.3	Very low	33.2	Very low	84 Å²	84	148.6 Å²	148.6	69%	0.694	78%	0.782	S	S	*	*			trans	40.6	111.7	146.6	0	0	0	0	0	119
197	Q	32.8	Very low	32.7	Very low	195 Å²	195	155 Å²	155	91%	0.911	80%	0.803	S	S	*	*				-167.9	125.9	117	-100.7	166.3	25.1	0	0	110.9
198	N	28.5	Very low	32	Very low	166 Å²	166	159.4 Å²	159.4	89%	0.888	82%	0.817	S	S	*	*			trans	-74.7	122.3	-176.2	-66.6	-50.2	0	0	0	111.7
199	I	32.8	Very low	31.5	Very low	153 Å²	153	159 Å²	159	79%	0.785	82%	0.824	S	S	*	*			trans	-144	125	154.6	-54.8	-179.6	0	0	0	108.4
200	P	29.7	Very low	31	Very low	123 Å²	123	155.1 Å²	155.1	80%	0.799	83%	0.825	S	S	*	*			trans	-79.8	124	-174.7	31.5	-31	0	0	0	110.7
201	V	31.8	Very low	30.6	Very low	137 Å²	137	153.5 Å²	153.5	83%	0.83	83%	0.825	S	S	*	*			trans	-97.3	109.8	170.5	177.6	0	0	0	0	108.1	S203	V201-S203 PolarHBondContact O-N 3.33Å
202	T	32	Very low	30.4	Very low	133 Å²	133	156 Å²	156	82%	0.816	83%	0.83	S	S	*	*			trans	-60.4	116.2	167.2	15.4	0	0	0	0	109.9	T204	T202-T204 PolarHBondContact O-N 3.44Å
203	S	27.1	Very low	30.3	Very low	113 Å²	113	159.3 Å²	159.3	79%	0.79	84%	0.835	S	S	*	*			trans	-66.9	115.8	173.3	42.9	0	0	0	0	110.9	V201	V201-S203 PolarHBondContact O-N 3.33Å
204	T	31.3	Very low	30.3	Very low	124 Å²	124	160.1 Å²	160.1	76%	0.761	84%	0.835	S	S	*	*			trans	-103.3	115.8	158.6	31.2	0	0	0	0	108.2	T202 Y206	T202-T204 PolarHBondContact O-N 3.44Å; T204-Y206 PolarHBondContact O-N 3.11Å
205	E	26.1	Very low	30.6	Very low	192 Å²	192	160 Å²	160	90%	0.897	84%	0.835	S	S	*	*			trans	-55.5	124.8	174.9	-77.4	176.8	125.9	0	0	110.8
206	Y	29.3	Very low	30.8	Very low	211 Å²	211	158.2 Å²	158.2	83%	0.827	83%	0.826	S	S	*	*			trans	-114.9	117.1	155.4	-91.4	-88.5	0	0	0	108.4	T204 Y208	T204-Y206 PolarHBondContact O-N 3.11Å; Y206-Y208 PolarHBondContact O-N 3.01Å
207	Q	29.6	Very low	31	Very low	191 Å²	191	158 Å²	158	89%	0.893	82%	0.818	S	S	*	*			trans	-49.1	124.1	176.7	-77.6	171.5	-29.6	0	0	111.8	S209	Q207-S209 PolarHBondContact O-N 3.47Å
208	Y	27.8	Very low	31.4	Very low	228 Å²	228	154.7 Å²	154.7	89%	0.894	81%	0.811	S	S	*	*			trans	-63.9	110.7	169.2	-83.3	-93.2	0	0	0	110.2	Y206	Y206-Y208 PolarHBondContact O-N 3.01Å
209	S	29.3	Very low	31.8	Very low	112 Å²	112	151 Å²	151	78%	0.783	80%	0.795	S	S	*	*			trans	-87.8	117.8	159.1	51.5	0	0	0	0	109.2	Q207 C211	Q207-S209 PolarHBondContact O-N 3.47Å; S209-C211 PolarHBondContact O-N 3.24Å
210	T	28.8	Very low	31.9	Very low	137 Å²	137	149.9 Å²	149.9	84%	0.84	80%	0.797	S	S	*	*			trans	-70.2	92.3	-179.1	32.2	0	0	0	0	111.1	K212	T210-K212 PolarHBondContact O-N 3.33Å; T210-K212 VanDerWaalsContact O-N 3.16Å
211	C	29.3	Very low	32.4	Very low	123 Å²	123	147.9 Å²	147.9	83%	0.831	80%	0.799	S	S	*	*			trans	-75.4	102.3	171.1	-168.1	0	0	0	0	110.4	S209 R213	S209-C211 PolarHBondContact O-N 3.24Å; C211-R213 PolarHBondContact O-N 2.95Å
212	K	34.1	Very low	32.6	Very low	196 Å²	196	148 Å²	148	85%	0.852	79%	0.792	S	S	*	*			trans	-55.8	117.3	172.2	-73.9	-178.8	175.8	-179.4	0	110.3	T210 T214	T210-K212 PolarHBondContact O-N 3.33Å; T210-K212 VanDerWaalsContact O-N 3.16Å; K212-T214 PolarHBondContact O-N 3.23Å; K212-T214 VanDerWaalsContact O-N 3.09Å
213	R	30.8	Very low	33	Very low	247 Å²	247	151.5 Å²	151.5	93%	0.932	80%	0.796	S	S	*	*			trans	-67.2	99.8	172.4	-94.7	179.2	168.9	153.7	-3	110.9	C211 K215	C211-R213 PolarHBondContact O-N 2.95Å; R213-K215 PolarHBondContact O-N 3.45Å
214	T	34	Very low	33.3	Very low	126 Å²	126	155.3 Å²	155.3	77%	0.773	79%	0.793	S	S	*	*			trans	-71.7	109.6	160.3	23.2	0	0	0	0	110.1	K212 I216	K212-T214 PolarHBondContact O-N 3.23Å; K212-T214 VanDerWaalsContact O-N 3.09Å; T214-I216 PolarHBondContact O-N 2.97Å
215	K	37.3	Very low	33.5	Very low	204 Å²	204	161.3 Å²	161.3	89%	0.887	80%	0.802	S	S	*	*			trans	-69.1	110.2	169.2	-73.8	-177.6	178.5	177.2	0	109.2	R213 C217	R213-K215 PolarHBondContact O-N 3.45Å; K215-C217 PolarHBondContact O-N 3.01Å
216	I	35.9	Very low	33.7	Very low	128 Å²	128	157 Å²	157	66%	0.656	79%	0.792	S	S	*	*			trans	-85	111	172.2	-59.4	174.6	0	0	0	107.9	T214	T214-I216 PolarHBondContact O-N 2.97Å
217	C	33.2	Very low	33.9	Very low	78 Å²	78	152.5 Å²	152.5	53%	0.527	79%	0.792	S	S	.	*			trans	-71.8	126.5	169.4	-169.7	0	0	0	0	109.8	K215	K215-C217 PolarHBondContact O-N 3.01Å
218	T	40.5	Very low	34	Very low	127 Å²	127	150.4 Å²	150.4	78%	0.779	79%	0.786	S	S	*	*			trans	-101	21.8	-173.2	44.5	0	0	0	0	114.3	P220	T218-P220 WeakPolarHBondContact O-CD 3.49Å
219	V	36.6	Very low	34.2	Very low	88 Å²	88	147.9 Å²	147.9	53%	0.533	78%	0.782	S	S	.	*			trans	-86.7	116.8	177.1	-172.6	0	0	0	0	110.6	G221	V219-G221 PolarHBondContact O-N 2.89Å
220	P	35.4	Very low	34.2	Very low	130 Å²	130	150.4 Å²	150.4	84%	0.844	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	115.1	171.2	-10	26.2	0	0	0	109.1	T218	T218-P220 WeakPolarHBondContact O-CD 3.49Å
221	G	39.8	Very low	34.3	Very low	80 Å²	80	148.6 Å²	148.6	83%	0.825	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	127.1	-13.5	172.1	0	0	0	0	0	116.5	V219 K223	V219-G221 PolarHBondContact O-N 2.89Å; G221-K223 PolarHBondContact O-N 3.17Å
222	M	36.5	Very low	34.3	Very low	140 Å²	140	146.9 Å²	146.9	69%	0.69	78%	0.78	S	S	*	*			trans	-82.2	108.6	173.9	-81.9	175.2	68.6	0	0	111	R224	M222-R224 PolarHBondContact O-N 3.39Å
223	K	40.4	Very low	34.3	Very low	207 Å²	207	145.5 Å²	145.5	90%	0.9	78%	0.781	S	S	*	*			trans	-61.5	116.5	164.8	-83.1	-179	175	177.9	0	108.9	G221 R225	G221-K223 PolarHBondContact O-N 3.17Å; K223-R225 PolarHBondContact O-N 2.93Å
224	R	34.1	Very low	34.1	Very low	192 Å²	192	139.6 Å²	139.6	73%	0.725	78%	0.778	S	S	*	*			trans	-65.7	118.2	171.6	-72.4	-179	175.7	156.3	1.4	109.2	M222	M222-R224 PolarHBondContact O-N 3.39Å
225	R	34.1	Very low	34.1	Very low	250 Å²	250	144.6 Å²	144.6	94%	0.943	78%	0.783	S	S	*	*			trans	-77.3	110.3	148	-74.3	-174.3	172.3	-146.9	-0.7	106.1	K223	K223-R225 PolarHBondContact O-N 2.93Å
226	S	31.7	Very low	33.8	Very low	101 Å²	101	139.6 Å²	139.6	71%	0.706	77%	0.773	S	S	*	*			trans	-78.9	108.1	165	44.5	0	0	0	0	107.6
227	S	32.4	Very low	33.6	Very low	117 Å²	117	141 Å²	141	82%	0.818	78%	0.783	S	S	*	*			trans	-86.9	117.2	157.5	54.8	0	0	0	0	107.6
228	I	32.2	Very low	33.3	Very low	148 Å²	148	145.9 Å²	145.9	76%	0.759	80%	0.797	S	S	*	*			trans	-86.7	124.9	166.5	-76.7	162.4	0	0	0	105.7
229	E	31	Very low	33	Very low	175 Å²	175	149 Å²	149	82%	0.818	80%	0.803	S	S	*	*			trans	167.7	103.1	166.8	-96.2	158.5	-154.7	0	0	101.5
230	D	31.1	Very low	32.6	Very low	164 Å²	164	154.8 Å²	154.8	88%	0.877	82%	0.817	S	S	*	*				-144.7	120.9	54.1	-66.3	-48.1	0	0	0	111.4
231	A	29.4	Very low	32.6	Very low	100 Å²	100	156.2 Å²	156.2	83%	0.826	82%	0.816	S	S	*	*			trans	-134	92.3	161.5	0	0	0	0	0	107.3
232	A	30.3	Very low	32.2	Very low	87 Å²	87	161.5 Å²	161.5	72%	0.719	82%	0.817	S	S	*	*			trans	-152.2	101.2	155.3	0	0	0	0	0	105.2
233	L	33.6	Very low	31.8	Very low	166 Å²	166	165.8 Å²	165.8	87%	0.869	83%	0.827	S	S	*	*				50.9	97.8	90.8	-68.6	171.1	0	0	0	110.6	R235	L233-R235 PolarHBondContact O-N 3.05Å; L233-R235 VanDerWaalsContact O-N 3.13Å
234	S	26.2	Very low	31.5	Very low	124 Å²	124	163.5 Å²	163.5	87%	0.867	83%	0.825	S	S	*	*			trans	-43.6	116.4	157.1	-50.8	0	0	0	0	109.7
235	R	33.5	Very low	31.6	Very low	231 Å²	231	165.7 Å²	165.7	87%	0.872	83%	0.833	S	S	*	*			trans	-160.4	105.5	154.6	-108.5	169.4	-177.3	-169.6	-1	108.7	L233	L233-R235 PolarHBondContact O-N 3.05Å; L233-R235 VanDerWaalsContact O-N 3.13Å
236	S	31.8	Very low	31.4	Very low	98 Å²	98	159.8 Å²	159.8	69%	0.685	83%	0.827	S	S	*	*			trans	18.8	130.2	140.8	57.4	0	0	0	0	119.2
237	N	32.6	Very low	31.6	Very low	159 Å²	159	163 Å²	163	85%	0.85	84%	0.835	S	S	*	*			trans	69	99.8	147.2	-61.6	-7	0	0	0	117.1	Q239	N237-Q239 PolarHBondContact O-N 2.74Å
238	E	27.2	Very low	31.7	Very low	180 Å²	180	166 Å²	166	84%	0.841	84%	0.836	S	S	*	*			trans	-52.2	117.1	154.8	-65.8	175.6	149.8	0	0	110.7
239	Q	33.6	Very low	31.7	Very low	192 Å²	192	165.5 Å²	165.5	90%	0.897	84%	0.84	S	S	*	*			trans	-129.7	113.2	146	-92.9	-175	-9.3	0	0	108.3	N237	N237-Q239 PolarHBondContact O-N 2.74Å
240	Y	27.5	Very low	32	Very low	210 Å²	210	162.9 Å²	162.9	82%	0.824	84%	0.836	S	S	*	*			trans	-36.2	137.4	164.7	-74.8	-106.4	0	0	0	113
241	L	34.8	Very low	31.8	Very low	159 Å²	159	160.7 Å²	160.7	83%	0.832	83%	0.829	S	S	*	*			trans	-167.6	109.5	138.9	-101	158.8	0	0	0	111.8
242	K	32.9	Very low	32	Very low	192 Å²	192	166.3 Å²	166.3	84%	0.835	84%	0.835	S	S	*	*			trans	45.9	115.8	145.6	-75.4	177.9	174.7	178.4	0	121.3
243	Y	28.3	Very low	31.9	Very low	229 Å²	229	173.5 Å²	173.5	90%	0.898	84%	0.843	S	S	*	*			trans	-59.2	138.4	151	-90.2	-100.5	0	0	0	112.2
244	D	34.3	Very low	31.9	Very low	160 Å²	160	171.4 Å²	171.4	86%	0.856	84%	0.842	S	S	*	*			trans	-136.5	151.2	150.4	-101.7	-36.1	0	0	0	110.7
245	R	34.4	Very low	32	Very low	238 Å²	238	170.1 Å²	170.1	90%	0.898	83%	0.832	S	S	*	*			trans	-64.3	165.9	-158.3	-91.2	177.3	-177.1	-179.1	1.5	118.2
246	P	31.4	Very low	32	Very low	125 Å²	125	165.2 Å²	165.2	81%	0.812	83%	0.828	S	S	*	*			trans	-88.1	147.2	-164.6	36	-33.8	0	0	0	114.1
247	L	35.4	Very low	31.9	Very low	168 Å²	168	166.2 Å²	166.2	88%	0.88	83%	0.826	S	S	*	*			trans	-102	109.4	169.1	-97.8	138.4	0	0	0	110.5
248	Q	33.4	Very low	32	Very low	180 Å²	180	165.9 Å²	165.9	84%	0.841	82%	0.819	S	S	*	*			trans	-62.7	132.2	158.9	-77.5	177.5	-13	0	0	109.3
249	T	34.1	Very low	32	Very low	138 Å²	138	167.5 Å²	167.5	85%	0.847	82%	0.824	S	S	*	*			trans	-117	124.9	157.9	40.9	0	0	0	0	109.4
250	T	35.6	Very low	31.7	Very low	120 Å²	120	163 Å²	163	74%	0.736	81%	0.812	S	S	*	*			trans	-84.3	134.4	-171.5	38.2	0	0	0	0	112.8
251	V	28.6	Very low	31.8	Very low	119 Å²	119	161.9 Å²	161.9	72%	0.721	81%	0.812	S	S	*	*			trans	44.9	114.8	131.4	-170	0	0	0	0	118.8
252	K	33.3	Very low	31.5	Very low	218 Å²	218	159.9 Å²	159.9	95%	0.948	81%	0.806	S	S	*	*			trans	-132	103	130.8	-86.5	-171.4	177.2	178.2	0	109.4
253	R	28	Very low	31.5	Very low	238 Å²	238	159.8 Å²	159.8	90%	0.898	81%	0.808	S	S	*	*			trans	-91.2	130	154.7	-75.5	-178.2	175.6	170.7	-0.9	106.5
254	S	33.2	Very low	31.5	Very low	121 Å²	121	160 Å²	160	85%	0.846	81%	0.808	S	S	*	*			trans	-135.4	103	153.9	53.6	0	0	0	0	106.9
255	C	27.5	Very low	31.5	Very low	98 Å²	98	159.1 Å²	159.1	66%	0.662	81%	0.808	S	S	*	*			trans	-76.6	147.3	165.7	-167.4	0	0	0	0	108
256	T	33.3	Very low	31.3	Very low	128 Å²	128	155 Å²	155	79%	0.785	80%	0.804	S	S	*	*			trans	-157.1	107.8	135.9	44.2	0	0	0	0	104.7
257	D	31.2	Very low	31.4	Very low	118 Å²	118	159 Å²	159	63%	0.631	80%	0.804	S	S	*	*				69.1	137.4	80.1	-77.1	-34.5	0	0	0	110
258	E	33.5	Very low	31.4	Very low	152 Å²	152	158.5 Å²	158.5	71%	0.71	80%	0.798	S	S	*	*			cis	-172.6	142.2	40.3	-140.7	165.1	-119.5	0	0	109.2
259	F	27.3	Very low	31.3	Very low	214 Å²	214	156.6 Å²	156.6	94%	0.939	79%	0.793	S	S	*	*			trans	-150.6	93.3	138	-104.2	-75.9	0	0	0	106.1
260	C	28.3	Very low	31.3	Very low	98 Å²	98	161.4 Å²	161.4	66%	0.662	80%	0.796	S	S	*	*			trans	-168.4	112.2	135.2	-98.7	0	0	0	0	111.4
261	K	29.7	Very low	31.2	Very low	187 Å²	187	165.6 Å²	165.6	81%	0.813	80%	0.8	S	S	*	*			trans	86.5	118.4	134.1	-71.1	-179.5	179.8	179.3	0	119
262	V	28.8	Very low	31.4	Very low	117 Å²	117	165.3 Å²	165.3	71%	0.709	79%	0.793	S	S	*	*				82.2	103.4	128.4	177.9	0	0	0	0	115.3
263	Q	31.8	Very low	31.4	Very low	189 Å²	189	164.9 Å²	164.9	88%	0.883	79%	0.787	S	S	*	*				177.5	151.6	98.4	-120.1	155	20.2	0	0	111.2
264	R	28	Very low	31.6	Very low	234 Å²	234	160.9 Å²	160.9	88%	0.883	78%	0.778	S	S	*	*			trans	-64	146.4	-179.4	-64	164.4	167.5	155.1	-5.7	111.5
265	T	35.5	Very low	31.7	Very low	142 Å²	142	160.6 Å²	160.6	87%	0.871	78%	0.776	S	S	*	*				177.5	136.4	112.5	39.5	0	0	0	0	111.4
266	N	29.7	Very low	32.2	Very low	151 Å²	151	160.5 Å²	160.5	81%	0.807	78%	0.777	S	S	*	*			trans	-66.5	161.7	172.9	-72	-39.9	0	0	0	112.8
267	Y	33.8	Very low	32.2	Very low	208 Å²	208	161.7 Å²	161.7	82%	0.816	78%	0.778	S	S	*	*			trans	149.1	97.2	147.2	-84.9	-70.2	0	0	0	108.1
268	E	35.7	Very low	32.3	Very low	159 Å²	159	160 Å²	160	74%	0.743	78%	0.78	S	S	*	*				78.9	113.3	100.1	-83.2	-167.4	149.5	0	0	115.9
269	N	31.1	Very low	32.3	Very low	139 Å²	139	158.4 Å²	158.4	74%	0.743	78%	0.781	S	S	*	*			trans	33.9	124.4	134	-64.9	-31	0	0	0	120
270	R	33.7	Very low	32.7	Very low	239 Å²	239	156.5 Å²	156.5	90%	0.902	77%	0.772	S	S	*	*				168.8	117.3	113.9	-87.9	163.2	-162.8	-174.1	7.2	113.6
271	Y	32.8	Very low	32.9	Very low	209 Å²	209	158.6 Å²	158.6	82%	0.82	78%	0.777	S	S	*	*			trans	11	140.2	141.8	-78.3	-69.2	0	0	0	125
272	I	33.7	Very low	33.2	Very low	113 Å²	113	154.9 Å²	154.9	58%	0.579	77%	0.77	S	S	*	*			trans	72.4	125.9	130.2	-60.3	160.3	0	0	0	120.3
273	Y	33.1	Very low	33.3	Very low	208 Å²	208	154.8 Å²	154.8	82%	0.816	77%	0.77	S	S	*	*				-179.9	105.4	120.1	-111.9	-87.7	0	0	0	108.4
274	Q	32.6	Very low	33.4	Very low	154 Å²	154	152.5 Å²	152.5	72%	0.72	76%	0.762	S	S	*	*				53.9	116.9	85.3	-89.3	-173.1	8.4	0	0	116.5
275	S	35.5	Very low	33.6	Very low	116 Å²	116	145.8 Å²	145.8	81%	0.811	75%	0.75	S	S	*	*			trans	-170.2	102.5	147	-69.9	0	0	0	0	106.6
276	S	36.4	Very low	33.6	Very low	95 Å²	95	141.4 Å²	141.4	66%	0.664	72%	0.723	S	S	*	*				102.4	115.7	61.3	-72.1	0	0	0	0	111
277	D	33.8	Very low	33.7	Very low	154 Å²	154	138.4 Å²	138.4	82%	0.824	71%	0.713	S	S	*	*			trans	64.4	141	144	-50.4	-36.1	0	0	0	119
278	A	33.8	Very low	33.7	Very low	81 Å²	81	131.2 Å²	131.2	67%	0.669	70%	0.702	S	S	*	*			cis	-171.2	156	27	0	0	0	0	0	111.3
279	V	34.2	Very low	33.8	Very low	120 Å²	120	131.3 Å²	131.3	73%	0.727	71%	0.706	S	S	*	*			trans	79.9	119	137.9	175.1	0	0	0	0	116.5
280	K	35.1	Very low	34.2	Very low	174 Å²	174	133.2 Å²	133.2	76%	0.757	71%	0.71	S	S	*	*			cis	-166.4	131	37.3	-126.5	154.6	-160.8	179	0	111.4
281	N	33.2	Very low	34.2	Very low	141 Å²	141	126.6 Å²	126.6	75%	0.754	70%	0.701	S	S	*	*				60.3	133.7	128.9	-66	15.7	0	0	0	121.6
282	T	34.4	Very low	34.3	Very low	109 Å²	109	122.1 Å²	122.1	67%	0.669	70%	0.7	S	S	*	*			cis	-171.7	136.1	-10.6	-22.4	0	0	0	0	107.2
283	T	32.6	Very low	34.4	Very low	115 Å²	115	120.3 Å²	120.3	71%	0.706	71%	0.709	S	S	*	*			trans	38.5	142.6	134.7	51.7	0	0	0	0	122.4
284	I	33.6	Very low	34.5	Very low	142 Å²	142	115.5 Å²	115.5	73%	0.728	71%	0.706	S	S	*	*			cis	-171.3	128.5	35.8	-102.9	144	0	0	0	105.3
285	C	30.5	Very low	34.5	Very low	93 Å²	93	114.9 Å²	114.9	63%	0.628	71%	0.707	S	S	*	*				57.2	126.7	91.7	-86.6	0	0	0	0	113.1
286	T	37.4	Very low	34.5	Very low	49 Å²	49	116.1 Å²	116.1	30%	0.301	70%	0.704	S	S	.	*			cis	-178.7	159.3	36	21.2	0	0	0	0	111.8	P306 S307 I308	T286-P306 CarbonylContact O-C 3.56Å; T286-S307 VanDerWaalsContact C-C 3.46Å; T286-S307 VanDerWaalsContact CB-CB 3.47Å; T286-S307 CarbonylContact O-C 3.51Å; T286-S307 VanDerWaalsContact O-C 3.29Å; T286-S307 WeakPolarHBondContact O-CA 3.42Å; T286-S307 WeakPolarHBondContact O-CB 3.32Å; T286-S307 PolarHBondContact O-N 2.68Å; T286-S307 WeakPolarHBondContact OG1-CB 3.34Å; T286-I308 VanDerWaalsContact C-CG1 3.41Å; T286-I308 HydrophobicContact CG2-CB 3.43Å; T286-I308 VanDerWaalsContact CG2-CB 3.43Å; T286-I308 HydrophobicContact CG2-CD1 3.17Å; T286-I308 HydrophobicContact CG2-CG1 3.21Å; T286-I308 HydrophobicContact CG2-CG2 4.47Å; T286-I308 PolarHBondContact O-N 3.43Å; T286-I308 VanDerWaalsContact O-N 3.12Å
287	C	29.8	Very low	34.4	Very low	88 Å²	88	118 Å²	118	60%	0.595	71%	0.705	S	S	*	*			trans	-67.3	-161.1	178.6	-46.7	0	0	0	0	125	S307 I308	C287-S307 CarbonylContact O-C 3.54Å; C287-I308 VanDerWaalsContact CA-CA 3.46Å; C287-I308 HydrophobicContact CB-CB 4.01Å; C287-I308 HydrophobicContact CB-CG1 3.45Å; C287-I308 VanDerWaalsContact CB-CG1 3.45Å; C287-I308 HydrophobicContact CB-CG2 4.42Å; C287-I308 WeakPolarHBondContact O-CA 3.44Å; C287-I308 PolarHBondContact O-N 3.29Å; C287-I308 WeakPolarHBondContact SG-CG1 3.41Å
288	G	35.5	Very low	34.5	Very low	57 Å²	57	116 Å²	116	59%	0.588	70%	0.699	S	S	*	*			trans	139.2	129.2	162.8	0	0	0	0	0	115.4
289	I	36.4	Very low	34.5	Very low	162 Å²	162	118 Å²	118	83%	0.831	70%	0.702	S	S	*	*			trans	-119.3	161.6	-160.7	-58.3	171.3	0	0	0	111.3
290	Q	39.4	Very low	34.6	Very low	178 Å²	178	117 Å²	117	83%	0.832	70%	0.701	S	S	*	*			trans	99.5	144.9	161.7	-57.3	-175.2	-8	0	0	114.3
291	S	35.3	Very low	34.7	Very low	100 Å²	100	113.6 Å²	113.6	70%	0.699	70%	0.699	S	S	*	*			cis	169.5	136.6	-25.7	168.7	0	0	0	0	104.5
292	S	33.7	Very low	35	Very low	115 Å²	115	114.2 Å²	114.2	80%	0.804	70%	0.701	S	S	*	*			trans	60.9	116.5	155.3	52.6	0	0	0	0	120.1
293	G	35.2	Very low	34.9	Very low	75 Å²	75	114.6 Å²	114.6	77%	0.773	71%	0.705	S	S	*	*			trans	124.8	112.9	130.9	0	0	0	0	0	116.4
294	S	35.5	Very low	35.2	Very low	108 Å²	108	114.3 Å²	114.3	76%	0.755	71%	0.708	S	S	*	*			trans	87.5	121.6	144.1	-155.8	0	0	0	0	119.4
295	L	33.8	Very low	35.5	Very low	141 Å²	141	113.3 Å²	113.3	74%	0.738	71%	0.714	S	S	*	*			trans	66.6	108.9	143	-97.3	86.2	0	0	0	120.2
296	L	34	Very low	35.8	Very low	141 Å²	141	113.6 Å²	113.6	74%	0.738	71%	0.714	S	S	*	*				67.3	134.2	119.5	-83.8	173.9	0	0	0	119.8
297	I	35.9	Very low	35.8	Very low	136 Å²	136	115.6 Å²	115.6	70%	0.697	73%	0.73	S	S	*	*			trans	101.2	102.6	148	-63.9	152.4	0	0	0	116.7
298	T	34.3	Very low	36	Very low	111 Å²	111	114.7 Å²	114.7	68%	0.681	72%	0.719	S	S	*	*			trans	72.2	118.7	139.6	51.6	0	0	0	0	122.4
299	T	34	Very low	35.9	Very low	122 Å²	122	116.1 Å²	116.1	75%	0.748	72%	0.72	S	S	*	*				74.1	131.1	129.3	55.6	0	0	0	0	121.4
300	S	36.2	Very low	35.7	Very low	99 Å²	99	114.2 Å²	114.2	69%	0.692	72%	0.716	S	S	*	*			trans	72.3	98.9	144.6	59.6	0	0	0	0	118.9
301	S	37.4	Very low	35.5	Very low	103 Å²	103	111 Å²	111	72%	0.72	71%	0.713	S	S	*	*				69.7	129.5	117.3	67.8	0	0	0	0	120.8
302	I	39.4	Very low	35.7	Very low	154 Å²	154	111.5 Å²	111.5	79%	0.79	72%	0.717	S	S	*	*			trans	99	117.2	155.3	-52.6	165.1	0	0	0	115.5
303	P	33.2	Very low	35.8	Very low	118 Å²	118	112.2 Å²	112.2	77%	0.766	72%	0.716	S	S	*	*			trans	-101.9	145	-179.1	37.5	-29.5	0	0	0	112.8
304	S	39.3	Very low	36	Very low	109 Å²	109	114.7 Å²	114.7	76%	0.762	72%	0.718	S	S	*	*			trans	-171	106	150.1	8.6	0	0	0	0	113.3
305	S	40.1	Very low	36.2	Very low	121 Å²	121	115 Å²	115	85%	0.846	72%	0.72	S	S	*	*			trans	66	151.4	134.5	-49.5	0	0	0	0	123.5
306	P	36.1	Very low	36.4	Very low	99 Å²	99	112.8 Å²	112.8	64%	0.643	72%	0.722	S	S	*	*			trans	-115.7	174.4	-148.1	33.6	-15.3	0	0	0	118.5	T286	T286-P306 CarbonylContact O-C 3.56Å
307	S	36.8	Very low	36.5	Very low	91 Å²	91	115.5 Å²	115.5	64%	0.636	73%	0.728	S	S	*	*			trans	-149	99.3	-165.3	67.6	0	0	0	0	123.2	T286 C287	T286-S307 VanDerWaalsContact C-C 3.46Å; T286-S307 VanDerWaalsContact CB-CB 3.47Å; T286-S307 CarbonylContact O-C 3.51Å; T286-S307 VanDerWaalsContact O-C 3.29Å; T286-S307 WeakPolarHBondContact O-CA 3.42Å; T286-S307 WeakPolarHBondContact O-CB 3.32Å; T286-S307 PolarHBondContact O-N 2.68Å; T286-S307 WeakPolarHBondContact OG1-CB 3.34Å; C287-S307 CarbonylContact O-C 3.54Å
308	I	34.2	Very low	36.6	Very low	69 Å²	69	120.8 Å²	120.8	35%	0.354	74%	0.739	S	S	.	*			trans	-42.5	142	-175	-75.3	175.1	0	0	0	112.1	T286 C287 T310	T286-I308 VanDerWaalsContact C-CG1 3.41Å; T286-I308 HydrophobicContact CG2-CB 3.43Å; T286-I308 VanDerWaalsContact CG2-CB 3.43Å; T286-I308 HydrophobicContact CG2-CD1 3.17Å; T286-I308 HydrophobicContact CG2-CG1 3.21Å; T286-I308 HydrophobicContact CG2-CG2 4.47Å; T286-I308 PolarHBondContact O-N 3.43Å; T286-I308 VanDerWaalsContact O-N 3.12Å; C287-I308 VanDerWaalsContact CA-CA 3.46Å; C287-I308 HydrophobicContact CB-CB 4.01Å; C287-I308 HydrophobicContact CB-CG1 3.45Å; C287-I308 VanDerWaalsContact CB-CG1 3.45Å; C287-I308 HydrophobicContact CB-CG2 4.42Å; C287-I308 WeakPolarHBondContact O-CA 3.44Å; C287-I308 PolarHBondContact O-N 3.29Å; C287-I308 WeakPolarHBondContact SG-CG1 3.41Å; I308-T310 HydrophobicContact CG2-CG2 4.41Å
309	S	34.2	Very low	36.7	Very low	87 Å²	87	124.5 Å²	124.5	61%	0.608	75%	0.749	S	S	*	*				170.2	107.5	122.2	-71.2	0	0	0	0	112.1
310	T	32.3	Very low	37	Very low	121 Å²	121	124.1 Å²	124.1	74%	0.742	75%	0.751	S	S	*	*				69.2	121.8	100.4	60.6	0	0	0	0	118.2	I308	I308-T310 HydrophobicContact CG2-CG2 4.41Å
311	S	35.6	Very low	37.2	Very low	111 Å²	111	127.5 Å²	127.5	78%	0.776	76%	0.761	S	S	*	*			trans	140.3	140.8	149.5	61.5	0	0	0	0	108.3
312	S	38.6	Very low	37.3	Very low	111 Å²	111	127.5 Å²	127.5	78%	0.776	76%	0.758	S	S	*	*			cis	-166.7	145.8	8.5	38.8	0	0	0	0	107.4
313	V	36.9	Very low	37.3	Very low	130 Å²	130	128.8 Å²	128.8	79%	0.788	77%	0.766	S	S	*	*			trans	-71.7	153.7	172.4	-176.9	0	0	0	0	109.5
314	P	38.6	Very low	37.6	Very low	127 Å²	127	132.6 Å²	132.6	83%	0.825	77%	0.77	S	S	*	*				-142.6	144.7	104.2	26.4	-5.7	0	0	0	115.8
315	S	39	Very low	37.4	Very low	113 Å²	113	133 Å²	133	79%	0.79	77%	0.773	S	S	*	*			trans	-56.6	139.8	170.3	-176.4	0	0	0	0	113.9
316	A	38.5	Very low	37.2	Very low	95 Å²	95	137.3 Å²	137.3	79%	0.785	77%	0.771	S	S	*	*			trans	-142.4	108.7	158	0	0	0	0	0	112.2
317	K	37	Very low	37.2	Very low	199 Å²	199	143.2 Å²	143.2	87%	0.865	78%	0.78	S	S	*	*			trans	55.2	109.9	141	-81.9	173.3	174.3	170.9	0	120.8
318	R	36.5	Very low	37.1	Very low	246 Å²	246	147.6 Å²	147.6	93%	0.928	78%	0.783	S	S	*	*			trans	-32.4	134.8	145.6	-74.8	173.4	159.5	-171	-5.3	113.9
319	Q	37	Very low	37.1	Very low	190 Å²	190	150.9 Å²	150.9	89%	0.888	80%	0.801	S	S	*	*			trans	-134.2	107.2	145.3	-77.4	-171	-1.9	0	0	109.6
320	S	40.6	Very low	37.2	Very low	114 Å²	114	155.6 Å²	155.6	80%	0.797	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-87.4	125.8	163.6	50	0	0	0	0	108.6
321	L	39.8	Very low	37.3	Very low	169 Å²	169	156.2 Å²	156.2	89%	0.885	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-73.6	137	178.3	-73.7	164.1	0	0	0	111.5
322	P	39.7	Very low	37.2	Very low	104 Å²	104	155.5 Å²	155.5	68%	0.675	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-84.6	138.2	-179.3	32.1	-32.1	0	0	0	112.5	K324	P322-K324 PolarHBondContact O-N 3.04Å
323	L	38.5	Very low	37	Very low	180 Å²	180	154.5 Å²	154.5	94%	0.942	81%	0.808	S	S	*	*			trans	-66.1	111.7	164	-72.1	165.5	0	0	0	109.2	S325	L323-S325 PolarHBondContact O-N 2.85Å
324	K	40.1	Very low	37.1	Very low	198 Å²	198	157.6 Å²	157.6	86%	0.861	81%	0.811	S	S	*	*			trans	-81.7	110.5	170.4	-76.6	-177	176.4	176.6	0	109.9	P322	P322-K324 PolarHBondContact O-N 3.04Å
325	S	36.3	Very low	36.8	Very low	117 Å²	117	160.5 Å²	160.5	82%	0.818	81%	0.813	S	S	*	*			trans	-72.2	132.1	157.3	60.1	0	0	0	0	108.9	L323	L323-S325 PolarHBondContact O-N 2.85Å
326	R	35.2	Very low	36.4	Very low	213 Å²	213	164.7 Å²	164.7	80%	0.804	82%	0.818	S	S	*	*			trans	-115.7	99.3	169.7	-130.8	-175	-174.6	-160.3	2.5	108.4
327	R	36.1	Very low	36.3	Very low	222 Å²	222	165 Å²	165	84%	0.838	82%	0.815	S	S	*	*			trans	-79.9	120.5	165.9	-145.2	-179.6	-169.1	-176.7	3.3	106.8
328	W	34.3	Very low	36	Very low	184 Å²	184	166.2 Å²	166.2	70%	0.697	81%	0.813	S	S	*	*			trans	-127.3	100.1	162.2	-81.7	68.7	0	0	0	107.3
329	N	34.8	Very low	35.9	Very low	137 Å²	137	164.5 Å²	164.5	73%	0.733	81%	0.807	S	S	*	*			trans	-70.7	126.9	157.4	-80.2	-15	0	0	0	107.3
330	K	35.4	Very low	35.8	Very low	186 Å²	186	164 Å²	164	81%	0.809	80%	0.802	S	S	*	*			trans	-144.7	91.3	154	-133.8	176	-175.3	-178.3	0	108.1	A332	K330-A332 PolarHBondContact O-N 3.01Å
331	V	34.4	Very low	35.3	Very low	135 Å²	135	164.3 Å²	164.3	82%	0.818	81%	0.805	S	S	*	*			trans	-69.2	113	158.6	174.3	0	0	0	0	105.8
332	A	33.9	Very low	35.2	Very low	96 Å²	96	162.6 Å²	162.6	79%	0.793	80%	0.801	S	S	*	*			trans	-113.5	92.6	165.2	0	0	0	0	0	107.3	K330	K330-A332 PolarHBondContact O-N 3.01Å
333	S	34.9	Very low	34.6	Very low	90 Å²	90	160.8 Å²	160.8	63%	0.629	80%	0.802	S	S	*	*			trans	-69.7	149.8	159.3	54.1	0	0	0	0	110.1
334	K	38.7	Very low	34.5	Very low	194 Å²	194	157.9 Å²	157.9	84%	0.843	80%	0.796	S	S	*	*			trans	80.9	108.3	170.9	-53.7	177.6	178.1	179.2	0	114.7
335	Q	33.3	Very low	34	Very low	189 Å²	189	155.5 Å²	155.5	88%	0.883	80%	0.798	S	S	*	*				-167.6	124	80.1	-101.4	176.3	-30.7	0	0	109.6	S337	Q335-S337 PolarHBondContact O-N 2.97Å
336	F	30.3	Very low	33.8	Very low	200 Å²	200	155.1 Å²	155.1	88%	0.877	80%	0.795	S	S	*	*			trans	-56.7	124	155.5	-86.3	-99	0	0	0	108.4
337	S	35.4	Very low	33.7	Very low	103 Å²	103	149.5 Å²	149.5	72%	0.72	79%	0.789	S	S	*	*			trans	-118.4	90.5	155.9	-162.5	0	0	0	0	107.3	Q335 R339	Q335-S337 PolarHBondContact O-N 2.97Å; S337-R339 PolarHBondContact O-N 3.26Å
338	R	31.5	Very low	33.3	Very low	223 Å²	223	145.9 Å²	145.9	84%	0.842	79%	0.791	S	S	*	*			trans	-62.5	119.7	154.9	-77.2	179.8	-175	178.6	1	106.2
339	R	34.7	Very low	33.3	Very low	210 Å²	210	145 Å²	145	79%	0.792	80%	0.795	S	S	*	*			trans	-131	104.4	155.3	-82	-163.4	176.8	-168.8	-0.6	109.6	S337	S337-R339 PolarHBondContact O-N 3.26Å
340	F	33.7	Very low	33	Very low	179 Å²	179	142.2 Å²	142.2	79%	0.785	79%	0.786	S	S	*	*			trans	55.7	101.1	141.3	-59.2	-75.7	0	0	0	118.7	T342	F340-T342 PolarHBondContact O-N 3.45Å
341	S	30.2	Very low	32.6	Very low	122 Å²	122	139 Å²	139	85%	0.853	79%	0.787	S	S	*	*			trans	-44.7	125	138.2	-57.1	0	0	0	0	111
342	T	37.7	Very low	32.5	Very low	133 Å²	133	138.3 Å²	138.3	82%	0.816	78%	0.783	S	S	*	*			trans	-115.9	102.9	142.4	49.3	0	0	0	0	105.8	F340	F340-T342 PolarHBondContact O-N 3.45Å
343	G	28.4	Very low	32.2	Very low	66 Å²	66	142 Å²	142	68%	0.68	78%	0.784	S	S	*	*			trans	-68.7	138.1	163.8	0	0	0	0	0	109.1
344	S	34.6	Very low	32.2	Very low	118 Å²	118	148.3 Å²	148.3	83%	0.825	80%	0.796	S	S	*	*			trans	-134	102.6	154.5	-65.8	0	0	0	0	106.5
345	V	29.9	Very low	32	Very low	149 Å²	149	145.3 Å²	145.3	90%	0.903	79%	0.788	S	S	*	*			trans	-105.5	105.3	168.8	-168.9	0	0	0	0	105.5
346	S	32	Very low	31.9	Very low	108 Å²	108	143 Å²	143	76%	0.755	78%	0.781	S	S	*	*			trans	174.3	129.7	165	54.7	0	0	0	0	105.6
347	S	33.1	Very low	32.1	Very low	96 Å²	96	139.1 Å²	139.1	67%	0.671	78%	0.78	S	S	*	*			cis	-158.6	137.6	20.2	44.1	0	0	0	0	108.1	Q349	S347-Q349 PolarHBondContact O-N 2.91Å
348	V	28.6	Very low	32.1	Very low	146 Å²	146	142.4 Å²	142.4	89%	0.885	78%	0.783	S	S	*	*			trans	-61	125.3	154.2	171.9	0	0	0	0	107.4
349	Q	32.9	Very low	32.4	Very low	165 Å²	165	139.8 Å²	139.8	77%	0.771	79%	0.786	S	S	*	*			trans	-144.3	84.6	164.8	-135.8	171.9	-0.9	0	0	105.1	S347	S347-Q349 PolarHBondContact O-N 2.91Å
350	S	30	Very low	32.3	Very low	79 Å²	79	137.4 Å²	137.4	55%	0.552	79%	0.789	S	S	*	*				50.2	98.8	98	69.3	0	0	0	0	113
351	S	26.6	Very low	32.3	Very low	119 Å²	119	134 Å²	134	83%	0.832	79%	0.788	S	S	*	*			trans	20.3	110.4	134	46	0	0	0	0	117.2
352	T	32.2	Very low	32.6	Very low	120 Å²	120	134.2 Å²	134.2	74%	0.736	78%	0.783	S	S	*	*			trans	-138.4	112.3	148.8	-37.9	0	0	0	0	108.7	Y354	T352-Y354 HydrophobicContact CG2-CD2 4.37Å; T352-Y354 HydrophobicContact CG2-CE2 4.14Å
353	E	27.3	Very low	32.6	Very low	172 Å²	172	136.5 Å²	136.5	80%	0.804	79%	0.785	S	S	*	*			trans	-54.1	134.4	161.9	-65.8	163.4	147.2	0	0	109.6
354	Y	34.1	Very low	32.9	Very low	224 Å²	224	138.3 Å²	138.3	88%	0.878	79%	0.793	S	S	*	*			trans	-128.5	104	151.3	-95.6	-83.6	0	0	0	108.3	T352	T352-Y354 HydrophobicContact CG2-CD2 4.37Å; T352-Y354 HydrophobicContact CG2-CE2 4.14Å
355	L	36	Very low	33.1	Very low	131 Å²	131	140.2 Å²	140.2	69%	0.686	79%	0.789	S	S	*	*			trans	-55.4	144.2	167.2	-85.9	140.4	0	0	0	112.1
356	N	30.9	Very low	33.4	Very low	139 Å²	139	139.2 Å²	139.2	74%	0.743	78%	0.778	S	S	*	*			trans	65	106.5	140.2	-59.7	-9.4	0	0	0	119.6
357	S	34.6	Very low	33.9	Very low	120 Å²	120	139.5 Å²	139.5	84%	0.839	78%	0.778	S	S	*	*				-146.8	112.3	123.2	59.9	0	0	0	0	108.9
358	E	34.8	Very low	34.3	Very low	171 Å²	171	141.7 Å²	141.7	80%	0.799	78%	0.781	S	S	*	*			trans	-49.2	136.1	171.4	-69	159.2	139	0	0	111.6
359	N	37.7	Very low	34.8	Very low	169 Å²	169	141.1 Å²	141.1	90%	0.904	77%	0.772	S	S	*	*			trans	-158.6	102.1	140.7	-91.7	-33.8	0	0	0	107.5
360	D	32.6	Very low	35.1	Very low	160 Å²	160	140.7 Å²	140.7	86%	0.856	77%	0.768	S	S	*	*			trans	-53.6	128.8	170.9	-76.9	-48.5	0	0	0	112
361	S	34.5	Very low	35.7	Very low	107 Å²	107	141.2 Å²	141.2	75%	0.748	77%	0.768	S	S	*	*				-174.9	106.7	118.3	53.7	0	0	0	0	111.7
362	V	36	Very low	36.4	Very low	126 Å²	126	139 Å²	139	76%	0.764	76%	0.757	S	S	*	*			trans	32.7	96.1	130.4	-167.4	0	0	0	0	117.2
363	H	37.1	Very low	36.8	Very low	182 Å²	182	139.5 Å²	139.5	84%	0.843	75%	0.754	S	S	*	*				-167.1	109	120.5	-102.4	-58.4	0	0	0	111	Q365	H363-Q365 PolarHBondContact O-N 3.44Å
364	A	34.8	Very low	37.6	Very low	103 Å²	103	138.3 Å²	138.3	85%	0.851	75%	0.748	S	S	*	*			trans	-59.5	113.2	179.4	0	0	0	0	0	112.1	N366	A364-N366 PolarHBondContact O-N 2.86Å
365	Q	40.3	Very low	38.1	Very low	159 Å²	159	134.7 Å²	134.7	74%	0.743	74%	0.74	S	S	*	*			trans	-75.2	119	165.3	-74.8	-165.5	5.3	0	0	109.9	H363 P367	H363-Q365 PolarHBondContact O-N 3.44Å; Q365-P367 WeakPolarHBondContact O-CD 3.34Å
366	N	36	Very low	38.5	Very low	128 Å²	128	130.7 Å²	130.7	68%	0.684	72%	0.723	S	S	*	*			trans	-61.3	121.5	168	-102.7	-38.5	0	0	0	110.6	A364 L368	A364-N366 PolarHBondContact O-N 2.86Å; N366-L368 PolarHBondContact O-N 2.97Å; N366-L368 VanDerWaalsContact O-N 3.1Å
367	P	40.8	Very low	39.7	Very low	114 Å²	114	127.3 Å²	127.3	74%	0.74	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-0.8	-179.3	-16.6	30.3	0	0	0	115.3	Q365	Q365-P367 WeakPolarHBondContact O-CD 3.34Å
368	L	41.7	Very low	40.9	Very low	142 Å²	142	124.8 Å²	124.8	74%	0.743	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-6.7	-168.2	-89.9	152.4	0	0	0	115.9	N366	N366-L368 PolarHBondContact O-N 2.97Å; N366-L368 VanDerWaalsContact O-N 3.1Å
369	L	40.1	Very low	42.3	Very low	133 Å²	133	122 Å²	122	70%	0.696	68%	0.682	S	S	*	*	S	Bend	trans	-92.8	-11.7	-176.9	-102.7	139.9	0	0	0	114.9
370	K	38.2	Very low	43.9	Very low	157 Å²	157	120.6 Å²	120.6	68%	0.683	67%	0.668	S	S	*	*	H	α-helix	trans	-85.9	-17.4	-176.1	-82.8	178.5	176	170.3	0	114.9
371	T	44.1	Very low	45.8	Very low	89 Å²	89	120.8 Å²	120.8	55%	0.546	66%	0.657	S	S	.	*	H	α-helix	trans	-83	-31	-175.2	29.1	0	0	0	0	114.1
372	A	40.7	Very low	47.4	Very low	73 Å²	73	117.7 Å²	117.7	60%	0.603	64%	0.641	S	S	*	*	H	α-helix	trans	-76.7	-32.5	178.9	0	0	0	0	0	113.4	Q374	A372-Q374 VanDerWaalsContact C-N 3.33Å
373	L	41.3	Very low	49.3	Very low	130 Å²	130	116.5 Å²	116.5	68%	0.681	63%	0.63	S	S	*	*	H	α-helix	trans	-71.5	-25.8	177.1	-99.7	141.7	0	0	0	113	S376	L373-S376 PolarHBondContact O-OG 3.25Å
374	Q	43.1	Very low	51.3	Low	147 Å²	147	116.4 Å²	116.4	69%	0.687	62%	0.622	S	S	*	*	H	α-helix	trans	-77.9	-35.1	177.2	-115.1	178.8	-4.1	0	0	112.9	A372 S377	A372-Q374 VanDerWaalsContact C-N 3.33Å; Q374-S377 PolarHBondContact O-OG 3.38Å
375	Q	45	Very low	53.3	Low	148 Å²	148	117.6 Å²	117.6	69%	0.692	61%	0.608	S	S	*	*	H	α-helix	trans	-72.3	-37.8	-178.5	-74.1	-176.4	-7.9	0	0	113	S377 S378	Q375-S377 VanDerWaalsContact C-N 3.28Å; Q375-S377 PolarHBondContact O-N 3.4Å; Q375-S378 PolarHBondContact O-N 2.91Å; Q375-S378 PolarHBondContact O-OG 3.29Å
376	S	43.7	Very low	55.3	Low	48 Å²	48	113.5 Å²	113.5	34%	0.336	60%	0.596	S	S	.	*	H	α-helix	trans	-64.1	-32.6	177.1	63.6	0	0	0	0	112.3	L373 S378 I379 F380	L373-S376 PolarHBondContact O-OG 3.25Å; S376-S378 PolarHBondContact O-N 3.23Å; S376-I379 PolarHBondContact O-N 2.88Å; S376-F380 WeakPolarHBondContact O-CD2 3.47Å; S376-F380 PolarHBondContact O-N 3.09Å
377	S	56.1	Low	57.3	Low	68 Å²	68	109.6 Å²	109.6	48%	0.476	58%	0.582	S	S	.	*	H	α-helix	trans	-58.8	-32.4	177.4	81.9	0	0	0	0	113.1	Q374 Q375 R381	Q374-S377 PolarHBondContact O-OG 3.38Å; Q375-S377 VanDerWaalsContact C-N 3.28Å; Q375-S377 PolarHBondContact O-N 3.4Å; S377-R381 WeakPolarHBondContact O-CB 3.44Å; S377-R381 PolarHBondContact O-N 2.79Å
378	S	59.3	Low	59.3	Low	66 Å²	66	109.7 Å²	109.7	46%	0.462	57%	0.573	S	S	.	*	H	α-helix	trans	-72.6	-39.9	-177.2	74.4	0	0	0	0	112.7	Q375 S376 R381 G382	Q375-S378 PolarHBondContact O-N 2.91Å; Q375-S378 PolarHBondContact O-OG 3.29Å; S376-S378 PolarHBondContact O-N 3.23Å; S378-R381 PolarHBondContact O-N 3Å; S378-G382 PolarHBondContact O-N 3.17Å; S378-G382 VanDerWaalsContact O-N 3.1Å
379	I	66.1	Low	61.3	Low	113 Å²	113	109.1 Å²	109.1	58%	0.579	57%	0.566	S	S	*	*	H	α-helix	trans	-69.9	-47.2	179.2	-59.1	173.6	0	0	0	109.5	S376 R381 G382 I383	S376-I379 PolarHBondContact O-N 2.88Å; I379-R381 VanDerWaalsContact C-N 3.27Å; I379-R381 PolarHBondContact O-N 3.29Å; I379-G382 PolarHBondContact O-N 2.83Å; I379-G382 VanDerWaalsContact O-N 3.1Å; I379-I383 HydrophobicContact CG2-CD1 4.05Å; I379-I383 WeakPolarHBondContact O-CG1 3.31Å; I379-I383 PolarHBondContact O-N 3.36Å
380	F	69.4	Low	63.2	Low	140 Å²	140	106.2 Å²	106.2	61%	0.614	55%	0.554	S	S	*	*	H	α-helix	trans	-63.4	-33.8	176.1	-72.2	-65.1	0	0	0	112.1	S376 G382 I383 R384	S376-F380 WeakPolarHBondContact O-CD2 3.47Å; S376-F380 PolarHBondContact O-N 3.09Å; F380-G382 PolarHBondContact O-N 2.81Å; F380-I383 PolarHBondContact O-N 2.86Å; F380-R384 VanDerWaalsContact O-CB 3.23Å; F380-R384 WeakPolarHBondContact O-CB 3.32Å; F380-R384 PolarHBondContact O-N 3.35Å
381	R	73.2	Confident	65.3	Low	164 Å²	164	103.8 Å²	103.8	62%	0.619	55%	0.548	S	S	*	.	H	α-helix	trans	-63.4	-40.1	172.9	-168.1	175.8	77.3	-177.1	4.4	112	S377 S378 I379 K385	S377-R381 WeakPolarHBondContact O-CB 3.44Å; S377-R381 PolarHBondContact O-N 2.79Å; S378-R381 PolarHBondContact O-N 3Å; I379-R381 VanDerWaalsContact C-N 3.27Å; I379-R381 PolarHBondContact O-N 3.29Å; R381-K385 WeakPolarHBondContact O-CB 3.31Å; R381-K385 WeakPolarHBondContact O-CG 3.33Å; R381-K385 PolarHBondContact O-N 2.72Å
382	G	68.5	Low	67.1	Low	41 Å²	41	102.1 Å²	102.1	42%	0.423	54%	0.539	S	S	.	.	H	α-helix	trans	-63.6	-47.1	174.4	0	0	0	0	0	112.6	S378 I379 F380 K385 S386	S378-G382 PolarHBondContact O-N 3.17Å; S378-G382 VanDerWaalsContact O-N 3.1Å; I379-G382 PolarHBondContact O-N 2.83Å; I379-G382 VanDerWaalsContact O-N 3.1Å; F380-G382 PolarHBondContact O-N 2.81Å; G382-K385 PolarHBondContact O-N 3.49Å; G382-S386 WeakPolarHBondContact O-CB 3.35Å; G382-S386 PolarHBondContact O-N 3.42Å
383	I	75.8	Confident	69	Low	102 Å²	102	102.5 Å²	102.5	52%	0.523	53%	0.532	S	S	.	.	H	α-helix	trans	-62.4	-45.1	177	-64	168.7	0	0	0	110.6	I379 F380 K385 S386 A387	I379-I383 HydrophobicContact CG2-CD1 4.05Å; I379-I383 WeakPolarHBondContact O-CG1 3.31Å; I379-I383 PolarHBondContact O-N 3.36Å; F380-I383 PolarHBondContact O-N 2.86Å; I383-K385 PolarHBondContact O-N 3.4Å; I383-S386 PolarHBondContact O-N 3.1Å; I383-A387 WeakPolarHBondContact O-CB 3.46Å; I383-A387 PolarHBondContact O-N 3.5Å
384	R	78.3	Confident	70.9	Confident	180 Å²	180	100.8 Å²	100.8	68%	0.679	52%	0.522	S	S	*	.	H	α-helix	trans	-60.9	-45.8	178.5	-165.3	179.3	-155.8	170.2	6.9	111.6	F380 A387 Q388	F380-R384 VanDerWaalsContact O-CB 3.23Å; F380-R384 WeakPolarHBondContact O-CB 3.32Å; F380-R384 PolarHBondContact O-N 3.35Å; R384-A387 PolarHBondContact O-N 3.02Å; R384-Q388 WeakPolarHBondContact O-CB 3.44Å; R384-Q388 VanDerWaalsContact O-CG 3.26Å; R384-Q388 WeakPolarHBondContact O-CG 3.49Å; R384-Q388 PolarHBondContact O-N 3.49Å
385	K	78.3	Confident	72.5	Confident	128 Å²	128	96.4 Å²	96.4	56%	0.557	51%	0.507	S	S	*	.	H	α-helix	trans	-61.7	-43.7	175.5	-76.9	-174.9	177.1	-170.1	0	111.9	R381 G382 I383 Q388 Q389	R381-K385 WeakPolarHBondContact O-CB 3.31Å; R381-K385 WeakPolarHBondContact O-CG 3.33Å; R381-K385 PolarHBondContact O-N 2.72Å; G382-K385 PolarHBondContact O-N 3.49Å; I383-K385 PolarHBondContact O-N 3.4Å; K385-Q388 PolarHBondContact O-N 2.83Å; K385-Q389 WeakPolarHBondContact O-CB 3.02Å; K385-Q389 PolarHBondContact O-N 2.58Å
386	S	81.4	Confident	74	Confident	72 Å²	72	94.9 Å²	94.9	50%	0.503	50%	0.498	S	S	.	.	H	α-helix	trans	-64.1	-44	178	-176.2	0	0	0	0	112.4	G382 I383 Q389 T390	G382-S386 WeakPolarHBondContact O-CB 3.35Å; G382-S386 PolarHBondContact O-N 3.42Å; I383-S386 PolarHBondContact O-N 3.1Å; S386-Q389 PolarHBondContact O-N 3.36Å; S386-T390 WeakPolarHBondContact O-CB 3.34Å; S386-T390 PolarHBondContact O-N 2.8Å; S386-T390 PolarHBondContact O-OG1 2.81Å
387	A	78.8	Confident	75.6	Confident	47 Å²	47	97.1 Å²	97.1	39%	0.388	51%	0.509	S	S	.	.	H	α-helix	trans	-63.7	-45.8	176	0	0	0	0	0	111.6	I383 R384 Q389 T390 I391	I383-A387 WeakPolarHBondContact O-CB 3.46Å; I383-A387 PolarHBondContact O-N 3.5Å; R384-A387 PolarHBondContact O-N 3.02Å; A387-Q389 VanDerWaalsContact C-N 3.34Å; A387-Q389 PolarHBondContact O-N 2.83Å; A387-T390 PolarHBondContact O-N 2.8Å; A387-I391 WeakPolarHBondContact O-CG1 3.07Å; A387-I391 PolarHBondContact O-N 2.64Å
388	Q	82.6	Confident	76.1	Confident	116 Å²	116	99.2 Å²	99.2	54%	0.542	51%	0.513	S	S	.	.	H	α-helix	trans	-60.2	-41.9	175.3	-76.4	175.2	-18.5	0	0	112	R384 K385 I391 S392	R384-Q388 WeakPolarHBondContact O-CB 3.44Å; R384-Q388 VanDerWaalsContact O-CG 3.26Å; R384-Q388 WeakPolarHBondContact O-CG 3.49Å; R384-Q388 PolarHBondContact O-N 3.49Å; K385-Q388 PolarHBondContact O-N 2.83Å; Q388-I391 PolarHBondContact O-N 2.79Å; Q388-S392 VanDerWaalsContact O-CB 3.31Å; Q388-S392 WeakPolarHBondContact O-CB 3.42Å; Q388-S392 PolarHBondContact O-N 3.26Å
389	Q	82.4	Confident	76.2	Confident	129 Å²	129	104.2 Å²	104.2	60%	0.603	53%	0.526	S	S	*	.	H	α-helix	trans	-68.9	-37	177.8	-168.9	151.7	8.4	0	0	112.2	K385 S386 A387 S392 N393	K385-Q389 WeakPolarHBondContact O-CB 3.02Å; K385-Q389 PolarHBondContact O-N 2.58Å; S386-Q389 PolarHBondContact O-N 3.36Å; A387-Q389 VanDerWaalsContact C-N 3.34Å; A387-Q389 PolarHBondContact O-N 2.83Å; Q389-S392 PolarHBondContact O-N 3.1Å; Q389-N393 WeakPolarHBondContact O-CB 3.44Å; Q389-N393 PolarHBondContact O-N 2.99Å; Q389-N393 PolarHBondContact O-ND2 3.5Å
390	T	81	Confident	75.6	Confident	73 Å²	73	108.7 Å²	108.7	45%	0.448	54%	0.537	S	S	.	.	H	α-helix	trans	-64.7	-47.3	174.7	-57.2	0	0	0	0	111.2	S386 A387 S392 N393 I394	S386-T390 WeakPolarHBondContact O-CB 3.34Å; S386-T390 PolarHBondContact O-N 2.8Å; S386-T390 PolarHBondContact O-OG1 2.81Å; A387-T390 PolarHBondContact O-N 2.8Å; T390-S392 VanDerWaalsContact C-N 3.35Å; T390-S392 PolarHBondContact O-N 3.49Å; T390-N393 PolarHBondContact O-N 3.06Å; T390-I394 HydrophobicContact CG2-CD1 4.07Å; T390-I394 WeakPolarHBondContact O-CG1 3.23Å; T390-I394 PolarHBondContact O-N 3.46Å
391	I	82.5	Confident	74.9	Confident	106 Å²	106	106 Å²	106	54%	0.544	54%	0.536	S	S	.	.	H	α-helix	trans	-61.3	-44	175.3	-67.8	166.8	0	0	0	110.3	A387 Q388 N393 I394 C395	A387-I391 WeakPolarHBondContact O-CG1 3.07Å; A387-I391 PolarHBondContact O-N 2.64Å; Q388-I391 PolarHBondContact O-N 2.79Å; I391-N393 VanDerWaalsContact C-N 3.33Å; I391-N393 PolarHBondContact O-N 3.33Å; I391-I394 PolarHBondContact O-N 3.05Å; I391-C395 WeakPolarHBondContact O-CB 3.44Å; I391-C395 PolarHBondContact O-N 2.91Å; I391-C395 PolarHBondContact O-SG 3.26Å
392	S	82.4	Confident	73.3	Confident	53 Å²	53	102.8 Å²	102.8	37%	0.371	53%	0.531	S	S	.	.	H	α-helix	trans	-59.4	-42.3	176.2	-171.6	0	0	0	0	112.2	Q388 Q389 T390 C395 K396	Q388-S392 VanDerWaalsContact O-CB 3.31Å; Q388-S392 WeakPolarHBondContact O-CB 3.42Å; Q388-S392 PolarHBondContact O-N 3.26Å; Q389-S392 PolarHBondContact O-N 3.1Å; T390-S392 VanDerWaalsContact C-N 3.35Å; T390-S392 PolarHBondContact O-N 3.49Å; S392-C395 PolarHBondContact O-N 3.26Å; S392-K396 WeakPolarHBondContact O-CB 3.4Å; S392-K396 VanDerWaalsContact O-CG 3.32Å; S392-K396 WeakPolarHBondContact O-CG 3.4Å; S392-K396 PolarHBondContact O-N 3.43Å
393	N	79.9	Confident	72.3	Confident	82 Å²	82	106 Å²	106	44%	0.439	55%	0.545	S	S	.	.	H	α-helix	trans	-66.3	-42.1	176.7	-72.7	-16.8	0	0	0	112	Q389 T390 I391 K396 V397	Q389-N393 WeakPolarHBondContact O-CB 3.44Å; Q389-N393 PolarHBondContact O-N 2.99Å; Q389-N393 PolarHBondContact O-ND2 3.5Å; T390-N393 PolarHBondContact O-N 3.06Å; I391-N393 VanDerWaalsContact C-N 3.33Å; I391-N393 PolarHBondContact O-N 3.33Å; N393-K396 PolarHBondContact O-N 2.9Å; N393-V397 VanDerWaalsContact O-CG2 3.32Å; N393-V397 WeakPolarHBondContact O-CG2 3.26Å; N393-V397 PolarHBondContact O-N 2.88Å
394	I	80.2	Confident	70.8	Confident	93 Å²	93	108 Å²	108	48%	0.477	56%	0.557	S	S	.	*	H	α-helix	trans	-61.6	-46.9	174.6	-67.5	166.2	0	0	0	110.1	T390 I391 K396 V397 M398	T390-I394 HydrophobicContact CG2-CD1 4.07Å; T390-I394 WeakPolarHBondContact O-CG1 3.23Å; T390-I394 PolarHBondContact O-N 3.46Å; I391-I394 PolarHBondContact O-N 3.05Å; I394-K396 VanDerWaalsContact C-N 3.32Å; I394-K396 PolarHBondContact O-N 3.4Å; I394-V397 PolarHBondContact O-N 3.27Å; I394-M398 HydrophobicContact CG2-CG 4.33Å; I394-M398 HydrophobicContact CG2-SD 4.36Å; I394-M398 WeakPolarHBondContact O-CG 3.35Å; I394-M398 PolarHBondContact O-N 3.28Å
395	C	76.6	Confident	69	Low	55 Å²	55	106.1 Å²	106.1	37%	0.372	56%	0.559	S	S	.	*	H	α-helix	trans	-61	-39	176.6	-70.6	0	0	0	0	112.4	I391 S392 K399	I391-C395 WeakPolarHBondContact O-CB 3.44Å; I391-C395 PolarHBondContact O-N 2.91Å; I391-C395 PolarHBondContact O-SG 3.26Å; S392-C395 PolarHBondContact O-N 3.26Å; C395-K399 WeakPolarHBondContact O-CG 3.46Å; C395-K399 PolarHBondContact O-N 2.96Å
396	K	78.1	Confident	66.9	Low	117 Å²	117	104.7 Å²	104.7	51%	0.509	56%	0.564	S	S	.	*	H	α-helix	trans	-63.4	-46	173.5	-76.1	174.9	-175.8	178.1	0	111.5	S392 N393 I394 K399 Y400	S392-K396 WeakPolarHBondContact O-CB 3.4Å; S392-K396 VanDerWaalsContact O-CG 3.32Å; S392-K396 WeakPolarHBondContact O-CG 3.4Å; S392-K396 PolarHBondContact O-N 3.43Å; N393-K396 PolarHBondContact O-N 2.9Å; I394-K396 VanDerWaalsContact C-N 3.32Å; I394-K396 PolarHBondContact O-N 3.4Å; K396-K399 PolarHBondContact O-N 3.3Å; K396-Y400 WeakPolarHBondContact O-CD2 3.17Å; K396-Y400 PolarHBondContact O-N 3.29Å
397	V	76.1	Confident	64.7	Low	94 Å²	94	108.6 Å²	108.6	57%	0.57	58%	0.579	S	S	*	*	H	α-helix	trans	-62.6	-44.2	177.7	173.6	0	0	0	0	110.7	N393 I394 K399 Y400 S401	N393-V397 VanDerWaalsContact O-CG2 3.32Å; N393-V397 WeakPolarHBondContact O-CG2 3.26Å; N393-V397 PolarHBondContact O-N 2.88Å; I394-V397 PolarHBondContact O-N 3.27Å; V397-K399 VanDerWaalsContact C-N 3.32Å; V397-K399 PolarHBondContact O-N 3.42Å; V397-Y400 PolarHBondContact O-N 3.37Å; V397-Y400 VanDerWaalsContact O-N 3.09Å; V397-S401 PolarHBondContact O-N 3.4Å; V397-S401 PolarHBondContact O-OG 2.79Å
398	M	66.8	Low	62.6	Low	112 Å²	112	113.6 Å²	113.6	55%	0.552	61%	0.605	S	S	*	*	H	α-helix	trans	-63.4	-34.6	177.6	-68.4	-164.4	-40.7	0	0	113.3	I394 Y400 S401 N402	I394-M398 HydrophobicContact CG2-CG 4.33Å; I394-M398 HydrophobicContact CG2-SD 4.36Å; I394-M398 WeakPolarHBondContact O-CG 3.35Å; I394-M398 PolarHBondContact O-N 3.28Å; M398-Y400 PolarHBondContact O-N 2.87Å; M398-S401 PolarHBondContact O-N 3.41Å; M398-S401 VanDerWaalsContact O-N 3.12Å; M398-N402 PolarHBondContact O-N 2.94Å
399	K	62.3	Low	60.4	Low	171 Å²	171	112.3 Å²	112.3	74%	0.743	61%	0.609	S	S	*	*	H	α-helix	trans	-62.9	-26.5	174.2	-78.5	-178	179	-170.1	0	113.1	C395 K396 V397	C395-K399 WeakPolarHBondContact O-CG 3.46Å; C395-K399 PolarHBondContact O-N 2.96Å; K396-K399 PolarHBondContact O-N 3.3Å; V397-K399 VanDerWaalsContact C-N 3.32Å; V397-K399 PolarHBondContact O-N 3.42Å
400	Y	53	Low	57.8	Low	207 Å²	207	113.7 Å²	113.7	81%	0.812	62%	0.62	S	S	*	*	H	α-helix	trans	-90.1	-14.9	174.1	-64.3	-68.9	0	0	0	113.5	K396 V397 M398	K396-Y400 WeakPolarHBondContact O-CD2 3.17Å; K396-Y400 PolarHBondContact O-N 3.29Å; V397-Y400 PolarHBondContact O-N 3.37Å; V397-Y400 VanDerWaalsContact O-N 3.09Å; M398-Y400 PolarHBondContact O-N 2.87Å
401	S	53.8	Low	55.5	Low	84 Å²	84	116 Å²	116	59%	0.587	64%	0.64	S	S	*	*	H	α-helix	trans	-86.3	-8.8	-179.8	-51.4	0	0	0	0	114.3	V397 M398	V397-S401 PolarHBondContact O-N 3.4Å; V397-S401 PolarHBondContact O-OG 2.79Å; M398-S401 PolarHBondContact O-N 3.41Å; M398-S401 VanDerWaalsContact O-N 3.12Å
402	N	40.5	Very low	53.1	Low	96 Å²	96	115.9 Å²	115.9	51%	0.513	65%	0.648	S	S	.	*			trans	-136	95.8	-179.1	-119.6	-14.9	0	0	0	110.1	M398 N404	M398-N402 PolarHBondContact O-N 2.94Å; N402-N404 PolarHBondContact O-N 3.12Å
403	P	46.4	Very low	50.4	Low	110 Å²	110	124.6 Å²	124.6	71%	0.714	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	1.9	178.6	28.6	-31.2	0	0	0	113.8
404	N	44.6	Very low	48.3	Very low	143 Å²	143	128.4 Å²	128.4	77%	0.765	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	19.9	-170.6	-70.5	-14.6	0	0	0	115.3	N402	N402-N404 PolarHBondContact O-N 3.12Å
405	I	42.2	Very low	45.8	Very low	141 Å²	141	131.1 Å²	131.1	72%	0.723	71%	0.705	S	S	*	*			trans	-127.8	69.9	171.8	-48.6	174.6	0	0	0	109.1
406	S	33.7	Very low	43.8	Very low	97 Å²	97	135 Å²	135	68%	0.678	73%	0.726	S	S	*	*			trans	-118.8	112.5	161	55.4	0	0	0	0	107.1
407	L	34.1	Very low	41.5	Very low	155 Å²	155	136 Å²	136	81%	0.812	74%	0.737	S	S	*	*			trans	144.1	77.8	159.2	-78.5	152.6	0	0	0	110.2
408	T	35.5	Very low	39.3	Very low	151 Å²	151	140.1 Å²	140.1	93%	0.926	75%	0.75	S	S	*	*			trans	-157.1	79.1	137.4	13.6	0	0	0	0	105.4
409	S	36.1	Very low	37.6	Very low	89 Å²	89	140.3 Å²	140.3	62%	0.622	76%	0.762	S	S	*	*			trans	-70.9	139.3	177.5	26.6	0	0	0	0	111.4
410	N	29	Very low	35.9	Very low	159 Å²	159	140.1 Å²	140.1	85%	0.85	77%	0.769	S	S	*	*			trans	72.8	99.9	142.3	-57.3	-9.5	0	0	0	118.9
411	S	31.4	Very low	34.7	Very low	122 Å²	122	137.6 Å²	137.6	85%	0.853	77%	0.765	S	S	*	*				-133.1	142.7	126.9	87.3	0	0	0	0	110.1
412	S	31.9	Very low	33.4	Very low	102 Å²	102	139 Å²	139	71%	0.713	77%	0.772	S	S	*	*			trans	-76.3	130.1	-154.9	50.2	0	0	0	0	114.8
413	Y	27	Very low	32.9	Very low	236 Å²	236	143 Å²	143	93%	0.925	79%	0.785	S	S	*	*			trans	-90.2	98.3	149.1	-79.8	-86	0	0	0	107.8
414	H	34.3	Very low	32.1	Very low	163 Å²	163	144.4 Å²	144.4	76%	0.755	79%	0.785	S	S	*	*			trans	-135	125.2	165.6	-104.7	-63.5	0	0	0	109.6
415	N	29.4	Very low	31.2	Very low	150 Å²	150	143.3 Å²	143.3	80%	0.802	79%	0.789	S	S	*	*			trans	-5.6	125	160.4	-59.6	-22.6	0	0	0	118
416	V	32.9	Very low	30.7	Very low	137 Å²	137	145.3 Å²	145.3	83%	0.83	79%	0.792	S	S	*	*			trans	-161.2	106	131.3	-169.9	0	0	0	0	104.8
417	D	31.5	Very low	30.3	Very low	138 Å²	138	145.9 Å²	145.9	74%	0.738	80%	0.796	S	S	*	*				66	141.1	76.3	-132.5	-8.2	0	0	0	114.9
418	H	28.7	Very low	30.2	Very low	179 Å²	179	145.9 Å²	145.9	83%	0.829	80%	0.797	S	S	*	*			trans	-50.4	130.5	-163.5	-64.4	-82.3	0	0	0	117.5
419	S	31.4	Very low	29.7	Very low	116 Å²	116	143.4 Å²	143.4	81%	0.811	79%	0.786	S	S	*	*			trans	-170.5	128.9	136.7	57.7	0	0	0	0	112.7	Q421	S419-Q421 PolarHBondContact O-N 2.76Å
420	N	26.5	Very low	29.4	Very low	167 Å²	167	149.2 Å²	149.2	89%	0.893	80%	0.8	S	S	*	*			trans	-57.1	122.2	169.6	-62.5	-39.1	0	0	0	111.6
421	Q	27.7	Very low	29.5	Very low	154 Å²	154	150.3 Å²	150.3	72%	0.72	80%	0.798	S	S	*	*			trans	-157.8	134.5	150.8	-118.9	-175.2	6.7	0	0	111.5	S419	S419-Q421 PolarHBondContact O-N 2.76Å
422	P	26	Very low	29.2	Very low	114 Å²	114	155.3 Å²	155.3	74%	0.74	80%	0.798	S	S	*	*			trans	-85.6	119.1	179.5	33.2	-27.1	0	0	0	109.1
423	F	30.6	Very low	29.1	Very low	181 Å²	181	159.9 Å²	159.9	79%	0.794	81%	0.808	S	S	*	*			trans	-101.4	107.1	173.9	-97	-83.4	0	0	0	112.2
424	I	30.5	Very low	29	Very low	139 Å²	139	154.3 Å²	154.3	71%	0.713	80%	0.798	S	S	*	*			trans	-46.3	131.9	167.3	-66.7	157	0	0	0	112.1	K426	I424-K426 PolarHBondContact O-N 3.36Å
425	S	25.2	Very low	28.7	Very low	119 Å²	119	154.6 Å²	154.6	83%	0.832	80%	0.8	S	S	*	*			trans	-56.2	119.5	166	-50.9	0	0	0	0	111.5
426	K	31.5	Very low	28.8	Very low	183 Å²	183	156 Å²	156	80%	0.796	80%	0.801	S	S	*	*			trans	-131.7	111.6	158.9	-79.7	-173.6	178.5	178	0	110	I424	I424-K426 PolarHBondContact O-N 3.36Å
427	S	25	Very low	28.4	Very low	110 Å²	110	156.4 Å²	156.4	77%	0.769	80%	0.798	S	S	*	*			trans	-37.9	132.7	156.5	48.4	0	0	0	0	112
428	N	31.1	Very low	28.3	Very low	154 Å²	154	155.1 Å²	155.1	82%	0.824	80%	0.797	S	S	*	*			trans	-149.6	128.6	154	-93.7	-24.9	0	0	0	111.2
429	S	26.4	Very low	28.2	Very low	100 Å²	100	154.7 Å²	154.7	70%	0.699	80%	0.795	S	S	*	*			trans	-55.2	143.1	170.8	45.8	0	0	0	0	112.7
430	F	30.1	Very low	28.2	Very low	210 Å²	210	154.5 Å²	154.5	92%	0.921	79%	0.794	S	S	*	*			trans	-113.2	109.4	162.1	-112	-88.8	0	0	0	110
431	K	29.4	Very low	28.1	Very low	183 Å²	183	154.5 Å²	154.5	80%	0.796	79%	0.794	S	S	*	*			trans	-69.5	139.8	171.1	-80.1	172.7	171.4	175.2	0	110.6
432	R	26.9	Very low	28.2	Very low	226 Å²	226	151.9 Å²	151.9	85%	0.853	79%	0.792	S	S	*	*			trans	17.4	123.5	145.6	-61.6	-178.9	-172.6	168.1	1.3	118.5
433	H	28.7	Very low	28.2	Very low	199 Å²	199	153.5 Å²	153.5	92%	0.921	79%	0.794	S	S	*	*			trans	-133.8	108.2	138.2	-93.7	-71.6	0	0	0	109
434	T	25.7	Very low	27.9	Very low	119 Å²	119	155.2 Å²	155.2	73%	0.73	80%	0.796	S	S	*	*			trans	-101.1	161.2	162.7	-41	0	0	0	0	106.9
435	E	26.7	Very low	27.6	Very low	168 Å²	168	155.6 Å²	155.6	79%	0.785	80%	0.799	S	S	*	*			trans	99.1	91.2	173.3	-58	178.5	-178.7	0	0	115.3
436	H	31.7	Very low	27.7	Very low	180 Å²	180	156.6 Å²	156.6	83%	0.833	80%	0.8	S	S	*	*				176.9	103	114.2	-97.5	-73.9	0	0	0	110
437	L	25.7	Very low	27.4	Very low	145 Å²	145	152.8 Å²	152.8	76%	0.759	80%	0.797	S	S	*	*			trans	-90.5	143.5	156.5	-151	81.9	0	0	0	107
438	P	29.5	Very low	27.4	Very low	111 Å²	111	157 Å²	157	72%	0.721	80%	0.802	S	S	*	*				-133.8	139.6	128.7	31.3	-17.9	0	0	0	112.5
439	H	25.7	Very low	27.1	Very low	170 Å²	170	155.1 Å²	155.1	79%	0.787	80%	0.795	S	S	*	*			trans	-44.4	136.9	171.8	-69.6	-76.3	0	0	0	113.9
440	S	30.5	Very low	27.5	Very low	113 Å²	113	152 Å²	152	79%	0.79	77%	0.772	S	S	*	*			trans	-153.9	107.7	148.6	20.1	0	0	0	0	110.1	S442	S440-S442 PolarHBondContact O-N 2.99Å
441	D	25	Very low	27.3	Very low	167 Å²	167	149.7 Å²	149.7	89%	0.893	77%	0.765	S	S	*	*			trans	-56.3	116.8	162.2	-72	-52	0	0	0	110
442	S	30.2	Very low	27.4	Very low	98 Å²	98	143.8 Å²	143.8	69%	0.685	74%	0.738	S	S	*	*			trans	-168.3	95.9	161.5	167.1	0	0	0	0	111.2	S440	S440-S442 PolarHBondContact O-N 2.99Å
443	L	26.7	Very low	27.5	Very low	149 Å²	149	137.3 Å²	137.3	78%	0.78	73%	0.727	S	S	*	*				58	109.6	127.2	-69.5	152.7	0	0	0	119
444	R	24	Very low	27.9	Very low	217 Å²	217	135.5 Å²	135.5	82%	0.819	71%	0.713	S	S	*	*				81	113	121	-141.9	175.2	-171.6	-170.5	3.8	117.1
445	N	24.3	Very low	27.9	Very low	147 Å²	147	135.9 Å²	135.9	79%	0.786	71%	0.707	S	S	*	*			trans	84.6	72.1	159.9	-54.3	-20.2	0	0	0	117.9
446	T	26.6	Very low	28.2	Very low	139 Å²	139	132.7 Å²	132.7	85%	0.853	69%	0.694	S	S	*	*			trans	-116	111.4	155.8	26.5	0	0	0	0	110.4	F448	T446-F448 PolarHBondContact O-N 3.32Å
447	S	25.7	Very low	28.4	Very low	104 Å²	104	128.4 Å²	128.4	73%	0.727	68%	0.677	S	S	*	*			trans	-56.3	121.4	177.6	5.6	0	0	0	0	112.8	T449	S447-T449 PolarHBondContact O-N 3.1Å
448	F	24.7	Very low	28.7	Very low	199 Å²	199	129.7 Å²	129.7	87%	0.873	68%	0.677	S	S	*	*			trans	31.3	68.1	148.6	-62.6	-86.8	0	0	0	117.2	T446	T446-F448 PolarHBondContact O-N 3.32Å
449	T	26	Very low	28.9	Very low	113 Å²	113	127.8 Å²	127.8	69%	0.693	66%	0.66	S	S	*	*			trans	-84.9	114.7	161.8	17	0	0	0	0	109.1	S447 R488	S447-T449 PolarHBondContact O-N 3.1Å; T449-R488 PolarHBondContact O-NH1 3.33Å; T449-R488 PolarHBondContact O-NH2 2.78Å
450	T	32.8	Very low	29.1	Very low	34 Å²	34	124.5 Å²	124.5	21%	0.209	66%	0.656	C	S	.	*			trans	-73.3	118.3	165.5	-48.8	0	0	0	0	108.3	Y452 R488	T450-Y452 WeakPolarHBondContact O-CD2 3.06Å; T450-Y452 PolarHBondContact O-N 2.82Å; T450-R488 VanDerWaalsContact CA-CZ 3.47Å; T450-R488 HydrophobicContact CG2-CB 4.41Å; T450-R488 HydrophobicContact CG2-CG 3.77Å
451	E	26.6	Very low	29.3	Very low	163 Å²	163	123.2 Å²	123.2	76%	0.762	64%	0.643	S	S	*	*			trans	-71.5	115.4	177	-74.4	175.6	157.7	0	0	110
452	Y	31.7	Very low	29.5	Very low	59 Å²	59	123.4 Å²	123.4	23%	0.231	64%	0.639	C	S	.	*			trans	-97.9	118.2	166.1	-64.4	-81.7	0	0	0	107.7	T450 S486 L514	T450-Y452 WeakPolarHBondContact O-CD2 3.06Å; T450-Y452 PolarHBondContact O-N 2.82Å; Y452-S486 WeakPolarHBondContact CD1-O 3.37Å; Y452-S486 WeakPolarHBondContact CE1-O 3.45Å; Y452-L514 HydrophobicContact CE1-CD2 4.48Å
453	S	29.3	Very low	29.6	Very low	89 Å²	89	128.1 Å²	128.1	62%	0.622	65%	0.647	S	S	*	*			trans	-88.7	141.2	168.6	51.9	0	0	0	0	109.9
454	Y	36.1	Very low	29.7	Very low	162 Å²	162	128.3 Å²	128.3	64%	0.635	65%	0.649	S	S	*	*			trans	-137.7	144.1	-177.2	61.2	-92.4	0	0	0	112
455	E	26.8	Very low	29.8	Very low	127 Å²	127	122.2 Å²	122.2	59%	0.593	65%	0.654	S	S	*	*			trans	-127.8	132.6	165	-78.1	-176.9	170.3	0	0	108.3
456	L	32.7	Very low	29.9	Very low	101 Å²	101	123 Å²	123	53%	0.529	65%	0.652	S	S	.	*			trans	-113.7	94.1	-174.7	-164.9	117.3	0	0	0	110.2	K458	L456-K458 HydrophobicContact CD2-CG 4.4Å
457	N	35	Very low	29.8	Very low	89 Å²	89	124.7 Å²	124.7	48%	0.476	65%	0.653	S	S	.	*			trans	-100.5	105.6	170.8	-75	-15.7	0	0	0	109.5	I459	N457-I459 HydrophobicContact CB-CG1 4.41Å; N457-I459 PolarHBondContact O-N 2.78Å
458	K	33.9	Very low	29.8	Very low	173 Å²	173	125.5 Å²	125.5	75%	0.752	65%	0.648	S	S	*	*			trans	-79	108.1	165.8	-80	-174.6	176.7	-175.8	0	107.8	L456	L456-K458 HydrophobicContact CD2-CG 4.4Å
459	I	31.9	Very low	29.9	Very low	71 Å²	71	121.4 Å²	121.4	36%	0.364	64%	0.639	S	S	.	*	B	Isolated β-bridge	trans	-108.6	111.9	174.3	-56.9	175.7	0	0	0	107.2	N457 V461 Y482	N457-I459 HydrophobicContact CB-CG1 4.41Å; N457-I459 PolarHBondContact O-N 2.78Å; I459-V461 PolarHBondContact O-N 2.82Å; I459-Y482 HydrophobicContact CD1-CE2 4.2Å
460	S	31.6	Very low	30	Very low	101 Å²	101	119.6 Å²	119.6	71%	0.706	63%	0.631	S	S	*	*			trans	-69.1	113.9	164	50.5	0	0	0	0	107.9	E462	S460-E462 PolarHBondContact O-N 3.42Å; S460-E462 VanDerWaalsContact O-N 3.07Å
461	V	33.6	Very low	29.7	Very low	85 Å²	85	124.8 Å²	124.8	52%	0.515	66%	0.657	S	S	.	*			trans	-76.6	95.7	173.9	-178.4	0	0	0	0	107.5	I459 K463 V480	I459-V461 PolarHBondContact O-N 2.82Å; V461-K463 PolarHBondContact O-N 3.21Å; V461-V480 HydrophobicContact CG2-CG2 4.43Å
462	E	29.9	Very low	29.8	Very low	172 Å²	172	125.2 Å²	125.2	80%	0.804	67%	0.665	S	S	*	*			trans	-64.4	118.3	162.1	-82.4	-177.3	164.2	0	0	107.9	S460 N464	S460-E462 PolarHBondContact O-N 3.42Å; S460-E462 VanDerWaalsContact O-N 3.07Å; E462-N464 PolarHBondContact O-N 2.98Å; E462-N464 VanDerWaalsContact O-N 3.14Å
463	K	31.9	Very low	29.7	Very low	196 Å²	196	126.2 Å²	126.2	85%	0.852	68%	0.68	S	S	*	*			trans	-59.7	117	162.8	-94.8	-177.9	173.4	178.5	0	107	V461 G465	V461-K463 PolarHBondContact O-N 3.21Å; K463-G465 PolarHBondContact O-N 3.33Å; K463-G465 VanDerWaalsContact O-N 3.14Å
464	N	28.1	Very low	29.9	Very low	154 Å²	154	128.1 Å²	128.1	82%	0.824	69%	0.692	S	S	*	*	S	Bend	trans	-8.1	103	161.8	-60.3	-12	0	0	0	114.6	E462 E466	E462-N464 PolarHBondContact O-N 2.98Å; E462-N464 VanDerWaalsContact O-N 3.14Å; N464-E466 VanDerWaalsContact C-N 3.27Å; N464-E466 PolarHBondContact O-N 3.21Å
465	G	27.7	Very low	29.8	Very low	89 Å²	89	127.3 Å²	127.3	92%	0.918	69%	0.694	S	S	*	*	S	Bend	trans	55.1	14	130.2	0	0	0	0	0	121.1	K463	K463-G465 PolarHBondContact O-N 3.33Å; K463-G465 VanDerWaalsContact O-N 3.14Å
466	E	25.8	Very low	30.4	Very low	162 Å²	162	125 Å²	125	76%	0.757	69%	0.691	S	S	*	*			trans	-121.8	106.2	174.1	-111.9	177.1	173.7	0	0	110	N464 I468	N464-E466 VanDerWaalsContact C-N 3.27Å; N464-E466 PolarHBondContact O-N 3.21Å; E466-I468 HydrophobicContact CB-CG1 4.29Å; E466-I468 PolarHBondContact O-N 3.25Å
467	M	23.3	Very low	31.2	Very low	175 Å²	175	124.3 Å²	124.3	86%	0.862	69%	0.691	S	S	*	*			trans	-67.1	77.9	171.2	-170.1	-177.2	88.4	0	0	108.9	V469	M467-V469 HydrophobicContact CE-CG2 4.36Å; M467-V469 PolarHBondContact O-N 3.3Å
468	I	26.8	Very low	32.4	Very low	121 Å²	121	123.2 Å²	123.2	62%	0.621	69%	0.689	S	S	*	*			trans	-86.1	97.2	166.8	-47.6	179.7	0	0	0	106.1	E466 S470	E466-I468 HydrophobicContact CB-CG1 4.29Å; E466-I468 PolarHBondContact O-N 3.25Å; I468-S470 VanDerWaalsContact CG2-OG 3.28Å; I468-S470 WeakPolarHBondContact CG2-OG 3.18Å; I468-S470 PolarHBondContact O-N 2.85Å
469	V	26.3	Very low	34	Very low	113 Å²	113	118.1 Å²	118.1	69%	0.685	67%	0.672	S	S	*	*			trans	-57.4	106.2	160.4	-179.7	0	0	0	0	105.8	M467	M467-V469 HydrophobicContact CE-CG2 4.36Å; M467-V469 PolarHBondContact O-N 3.3Å
470	S	27.6	Very low	36.3	Very low	75 Å²	75	115.6 Å²	115.6	52%	0.524	66%	0.66	S	S	.	*			trans	-125.7	108.3	173	-71.4	0	0	0	0	107.9	I468	I468-S470 VanDerWaalsContact CG2-OG 3.28Å; I468-S470 WeakPolarHBondContact CG2-OG 3.18Å; I468-S470 PolarHBondContact O-N 2.85Å
471	D	27	Very low	38.8	Very low	144 Å²	144	112.2 Å²	112.2	77%	0.77	63%	0.632	S	S	*	*			trans	-51.2	138.9	174.4	-63.8	-45.9	0	0	0	111.7	S473	D471-S473 PolarHBondContact O-N 2.8Å
472	D	29.8	Very low	41.3	Very low	172 Å²	172	111.5 Å²	111.5	92%	0.92	62%	0.62	S	S	*	*	S	Bend	trans	42.8	66.9	160.1	-80.2	-14.2	0	0	0	117.7
473	S	29.6	Very low	43.9	Very low	79 Å²	79	103.6 Å²	103.6	55%	0.552	58%	0.584	S	S	*	*			trans	-150.5	127.8	146.3	56.9	0	0	0	0	110	D471 Q475	D471-S473 PolarHBondContact O-N 2.8Å; S473-Q475 PolarHBondContact O-N 2.91Å
474	C	32	Very low	46.5	Very low	129 Å²	129	96.8 Å²	96.8	87%	0.872	56%	0.556	S	S	*	*			trans	-60.7	85.5	171.1	-71.2	0	0	0	0	109.8	C476	C474-C476 VanDerWaalsContact C-N 3.27Å; C474-C476 PolarHBondContact O-N 2.84Å
475	Q	34.6	Very low	49.4	Very low	145 Å²	145	89.6 Å²	89.6	68%	0.678	52%	0.518	S	S	*	.			trans	-71.1	88.2	169.2	-72.5	-173.6	18.4	0	0	108	S473 V477	S473-Q475 PolarHBondContact O-N 2.91Å; Q475-V477 VanDerWaalsContact C-N 3.31Å; Q475-V477 PolarHBondContact O-N 3.13Å
476	C	40.4	Very low	52.1	Low	80 Å²	80	86.2 Å²	86.2	54%	0.541	48%	0.48	S	S	.	.			trans	-64.6	95.7	165.3	-72.7	0	0	0	0	107.9	C474	C474-C476 VanDerWaalsContact C-N 3.27Å; C474-C476 PolarHBondContact O-N 2.84Å
477	V	49.3	Very low	54.8	Low	85 Å²	85	79.2 Å²	79.2	52%	0.515	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-58.2	125.4	170.3	-179.6	0	0	0	0	107.4	Q475 T479	Q475-V477 VanDerWaalsContact C-N 3.31Å; Q475-V477 PolarHBondContact O-N 3.13Å; V477-T479 PolarHBondContact O-N 3.31Å; V477-T479 VanDerWaalsContact O-N 3.11Å
478	P	59.3	Low	57.3	Low	67 Å²	67	76.6 Å²	76.6	44%	0.435	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-60.8	118.9	178.5	22.4	-30.7	0	0	0	108.9	V480 I557	P478-V480 PolarHBondContact O-N 3.26Å; P478-I557 HydrophobicContact CB-CG1 4.5Å; P478-I557 HydrophobicContact CB-CG2 3.68Å
479	T	67.6	Low	59.9	Low	65 Å²	65	77.2 Å²	77.2	40%	0.399	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-72.2	120.9	174.7	48.3	0	0	0	0	108.5	V477 D558	V477-T479 PolarHBondContact O-N 3.31Å; V477-T479 VanDerWaalsContact O-N 3.11Å; T479-D558 PolarHBondContact O-N 3.49Å; T479-D558 VanDerWaalsContact OG1-CB 3.29Å; T479-D558 WeakPolarHBondContact OG1-CB 3.38Å; T479-D558 PolarHBondContact OG1-OD2 3.33Å
480	V	79.8	Confident	62.5	Low	18 Å²	18	76.6 Å²	76.6	11%	0.109	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	135.2	177.3	-179.7	0	0	0	0	108.6	V461 P478 Y482 I527 T555 F556	V461-V480 HydrophobicContact CG2-CG2 4.43Å; P478-V480 PolarHBondContact O-N 3.26Å; V480-Y482 HydrophobicContact CG1-CE2 4.41Å; V480-I527 HydrophobicContact CG1-CD1 4.3Å; V480-I527 HydrophobicContact CG2-CD1 4.43Å; V480-T555 HydrophobicContact CG1-CG2 3.25Å; V480-F556 VanDerWaalsContact CA-O 3.27Å; V480-F556 WeakPolarHBondContact CA-O 3.47Å
481	R	84.5	Confident	65	Low	31 Å²	31	79.4 Å²	79.4	12%	0.117	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.7	177.2	64.2	175.6	-176.2	137.8	13.2	111.7	Q519 D524 T555 F556 D558	R481-Q519 PolarHBondContact NH1-O 2.85Å; R481-Q519 PolarHBondContact NH2-O 2.79Å; R481-D524 IonicContact CZ-OD2 3.69Å; R481-D524 IonicContact NH2-OD1 3.98Å; R481-D524 IonicContact NH2-OD2 3.73Å; R481-D524 PolarHBondContact NH2-OD2 3.31Å; R481-T555 CarbonylContact O-C 3.56Å; R481-T555 WeakPolarHBondContact O-CA 3.4Å; R481-F556 HydrophobicContact CG-CB 3.79Å; R481-F556 HydrophobicContact CG-CD2 4.33Å; R481-F556 HydrophobicContact CG-CG 4.49Å; R481-F556 PolarHBondContact N-O 3.49Å; R481-F556 PolarHBondContact O-N 3.48Å; R481-D558 WeakPolarHBondContact CD-OD1 3.28Å; R481-D558 IonicContact CZ-OD1 3.85Å; R481-D558 IonicContact NE-OD1 2.85Å; R481-D558 PolarHBondContact NE-OD1 3.21Å
482	Y	85.1	Confident	67.6	Low	69 Å²	69	74.2 Å²	74.2	27%	0.271	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	139.1	178.3	-56.2	-89.9	0	0	0	110	I459 V480 I553 L554 T555	I459-Y482 HydrophobicContact CD1-CE2 4.2Å; V480-Y482 HydrophobicContact CG1-CE2 4.41Å; Y482-I553 HydrophobicContact CD1-CG2 4.45Å; Y482-L554 CarbonylContact C-O 3.48Å; Y482-L554 VanDerWaalsContact CA-O 3.27Å; Y482-L554 WeakPolarHBondContact CA-O 3.26Å; Y482-T555 HydrophobicContact CD1-CG2 3.86Å; Y482-T555 VanDerWaalsContact CD1-OG1 3.25Å; Y482-T555 WeakPolarHBondContact CD1-OG1 3.25Å; Y482-T555 HydrophobicContact CE1-CG2 3.47Å; Y482-T555 VanDerWaalsContact CE1-CG2 3.47Å; Y482-T555 WeakPolarHBondContact CE1-OG1 3.27Å
483	V	85.9	Confident	70.2	Confident	7 Å²	7	70.3 Å²	70.3	4%	0.042	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	127.5	172.2	-175.5	0	0	0	0	108.2	L485 L520 L554 F556	V483-L485 HydrophobicContact CG1-CD2 4.08Å; V483-L520 HydrophobicContact CB-CD2 4.4Å; V483-L520 HydrophobicContact CG1-CD2 4.33Å; V483-L520 HydrophobicContact CG1-CG 4.46Å; V483-L520 HydrophobicContact CG2-CD2 4.12Å; V483-L554 PolarHBondContact N-O 3.36Å; V483-L554 PolarHBondContact O-N 3.41Å; V483-F556 HydrophobicContact CB-CD2 4.48Å; V483-F556 HydrophobicContact CB-CE2 3.81Å; V483-F556 HydrophobicContact CG2-CD2 3.94Å; V483-F556 HydrophobicContact CG2-CE2 3.63Å
484	I	86.3	Confident	73	Confident	52 Å²	52	67.3 Å²	67.3	27%	0.267	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.1	173.4	-52	-178.1	0	0	0	107.7	I552 I553	I484-I552 WeakPolarHBondContact CA-O 3.32Å; I484-I553 HydrophobicContact CG1-CG1 4.21Å
485	L	87.9	Confident	75.6	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	131.1	170.8	-62.3	-176.9	0	0	0	109	V483 F494 L496 L514 L520 S551 I552 L554	V483-L485 HydrophobicContact CG1-CD2 4.08Å; L485-F494 HydrophobicContact CB-CD1 3.66Å; L485-F494 HydrophobicContact CB-CE1 3.9Å; L485-F494 HydrophobicContact CD1-CD1 4.36Å; L485-F494 WeakPolarHBondContact O-CE1 3.38Å; L485-L496 HydrophobicContact CD1-CD1 3.75Å; L485-L496 HydrophobicContact CD1-CD2 4.39Å; L485-L496 HydrophobicContact CD1-CG 4.16Å; L485-L514 HydrophobicContact CD2-CD2 4.2Å; L485-L520 HydrophobicContact CD1-CD1 4.25Å; L485-L520 HydrophobicContact CD2-CD1 4.02Å; L485-S551 CarbonylContact O-C 3.54Å; L485-S551 WeakPolarHBondContact O-CA 3.33Å; L485-I552 PolarHBondContact N-O 3.25Å; L485-I552 PolarHBondContact O-N 3.41Å; L485-L554 HydrophobicContact CD1-CD1 3.54Å; L485-L554 HydrophobicContact CG-CD1 4.08Å
486	S	84.3	Confident	78.2	Confident	17 Å²	17	56 Å²	56	12%	0.119	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150.4	172.6	54.6	0	0	0	0	110.1	Y452	Y452-S486 WeakPolarHBondContact CD1-O 3.37Å; Y452-S486 WeakPolarHBondContact CE1-O 3.45Å
487	R	83.2	Confident	80.6	Confident	15 Å²	15	57 Å²	57	6%	0.057	29%	0.291	C	S	.	.			trans	-129.4	148.5	171.7	57.2	-178.5	172.6	157.4	11.7	109.9	E489 F490 E492 F494 F546 H547 N549 Q550	R487-E489 WeakPolarHBondContact CD-O 3.23Å; R487-F490 VanDerWaalsContact CZ-O 3.23Å; R487-F490 PolarHBondContact NH1-O 3.25Å; R487-F490 PolarHBondContact NH2-O 2.9Å; R487-E492 WeakPolarHBondContact CD-O 3.44Å; R487-E492 PolarHBondContact NH1-O 3.15Å; R487-F494 HydrophobicContact CB-CE1 4.24Å; R487-F494 HydrophobicContact CG-CE1 3.96Å; R487-F494 HydrophobicContact CG-CE2 4.19Å; R487-F494 HydrophobicContact CG-CZ 3.76Å; R487-F546 PolarHBondContact NH2-O 3.46Å; R487-F546 VanDerWaalsContact NH2-O 3.17Å; R487-H547 PolarHBondContact NH2-O 3.26Å; R487-N549 VanDerWaalsContact CZ-O 3.31Å; R487-N549 PolarHBondContact NE-O 3.44Å; R487-N549 PolarHBondContact NH2-O 2.96Å; R487-Q550 WeakPolarHBondContact CG-O 3.45Å; R487-Q550 PolarHBondContact N-O 3.01Å; R487-Q550 VanDerWaalsContact O-CG 3.23Å; R487-Q550 WeakPolarHBondContact O-CG 3.35Å
488	R	76.5	Confident	82.6	Confident	121 Å²	121	54.7 Å²	54.7	46%	0.457	28%	0.277	S	S	.	.	S	Bend	trans	-72.3	-45.5	179	-85.2	175.6	-179.9	167.1	0.8	111.6	T449 T450 Q550	T449-R488 PolarHBondContact O-NH1 3.33Å; T449-R488 PolarHBondContact O-NH2 2.78Å; T450-R488 VanDerWaalsContact CA-CZ 3.47Å; T450-R488 HydrophobicContact CG2-CB 4.41Å; T450-R488 HydrophobicContact CG2-CG 3.77Å; R488-Q550 PolarHBondContact O-NE2 3.45Å
489	E	80.4	Confident	84.1	Confident	134 Å²	134	55.8 Å²	55.8	63%	0.626	28%	0.278	S	S	*	.	S	Bend	trans	-112.6	139	-175.5	-66.1	172.1	-168	0	0	110.5	R487 D491 E492	R487-E489 WeakPolarHBondContact CD-O 3.23Å; E489-D491 PolarHBondContact O-N 3.09Å; E489-E492 HydrophobicContact CB-CB 4.36Å; E489-E492 WeakPolarHBondContact O-CB 3.35Å; E489-E492 PolarHBondContact O-N 2.81Å; E489-E492 VanDerWaalsContact O-N 3.14Å
490	F	81.7	Confident	85.2	Confident	100 Å²	100	59.3 Å²	59.3	44%	0.439	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-21	177.2	-83	-88.2	0	0	0	113.5	R487 E492 Q550	R487-F490 VanDerWaalsContact CZ-O 3.23Å; R487-F490 PolarHBondContact NH1-O 3.25Å; R487-F490 PolarHBondContact NH2-O 2.9Å; F490-E492 VanDerWaalsContact C-N 3.31Å; F490-Q550 HydrophobicContact CE1-CB 3.95Å; F490-Q550 HydrophobicContact CE2-CB 4.13Å; F490-Q550 HydrophobicContact CE2-CG 4.28Å; F490-Q550 HydrophobicContact CZ-CB 3.62Å; F490-Q550 HydrophobicContact CZ-CG 4.27Å
491	D	79.9	Confident	85.5	Confident	134 Å²	134	59.8 Å²	59.8	72%	0.717	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-15.8	176.4	-66	-29.2	0	0	0	112.5	E489	E489-D491 PolarHBondContact O-N 3.09Å
492	E	81.2	Confident	85.4	Confident	35 Å²	35	66.6 Å²	66.6	16%	0.164	33%	0.325	C	S	.	.	S	Bend	trans	-78.1	130.1	179.6	-172	175.3	-165.4	0	0	110.8	R487 E489 F490 K513	R487-E492 WeakPolarHBondContact CD-O 3.44Å; R487-E492 PolarHBondContact NH1-O 3.15Å; E489-E492 HydrophobicContact CB-CB 4.36Å; E489-E492 WeakPolarHBondContact O-CB 3.35Å; E489-E492 PolarHBondContact O-N 2.81Å; E489-E492 VanDerWaalsContact O-N 3.14Å; F490-E492 VanDerWaalsContact C-N 3.31Å; E492-K513 IonicContact OE1-NZ 2.58Å; E492-K513 PolarHBondContact OE1-NZ 3.36Å
493	S	85.7	Confident	85.3	Confident	90 Å²	90	68 Å²	68	63%	0.629	34%	0.335	S	S	*	.			trans	-70.4	141.4	171	67.5	0	0	0	0	110.7	G495	S493-G495 PolarHBondContact O-N 3.23Å
494	F	86.8	Confident	85.4	Confident	15 Å²	15	67.8 Å²	67.8	7%	0.066	33%	0.334	C	S	.	.			trans	-58.9	-18.9	168.4	-72.9	-83.6	0	0	0	113.5	L485 R487 L514 F546 N549 Q550 I552	L485-F494 HydrophobicContact CB-CD1 3.66Å; L485-F494 HydrophobicContact CB-CE1 3.9Å; L485-F494 HydrophobicContact CD1-CD1 4.36Å; L485-F494 WeakPolarHBondContact O-CE1 3.38Å; R487-F494 HydrophobicContact CB-CE1 4.24Å; R487-F494 HydrophobicContact CG-CE1 3.96Å; R487-F494 HydrophobicContact CG-CE2 4.19Å; R487-F494 HydrophobicContact CG-CZ 3.76Å; F494-L514 WeakPolarHBondContact O-CD1 3.09Å; F494-F546 HydrophobicContact CB-CD1 4.2Å; F494-F546 HydrophobicContact CB-CE1 4.42Å; F494-F546 HydrophobicContact CD2-CB 4.49Å; F494-F546 AromaticContact CD2-CD1 3.6Å; F494-F546 HydrophobicContact CD2-CD1 3.6Å; F494-F546 HydrophobicContact CD2-CE1 4.4Å; F494-F546 HydrophobicContact CE2-CD1 4.24Å; F494-F546 WeakPolarHBondContact CE2-O 3.19Å; F494-F546 HydrophobicContact CG-CD1 4.07Å; F494-F546 HydrophobicContact CG-CE1 4.46Å; F494-N549 WeakPolarHBondContact CE2-O 3.49Å; F494-N549 WeakPolarHBondContact CZ-O 3.41Å; F494-Q550 WeakPolarHBondContact CZ-O 3.18Å; F494-I552 HydrophobicContact CD2-CD1 3.84Å; F494-I552 HydrophobicContact CE1-CD1 4.37Å; F494-I552 HydrophobicContact CE1-CG1 4.41Å; F494-I552 HydrophobicContact CE2-CD1 3.28Å; F494-I552 HydrophobicContact CE2-CG1 3.98Å; F494-I552 HydrophobicContact CZ-CB 4.4Å; F494-I552 HydrophobicContact CZ-CD1 3.58Å; F494-I552 HydrophobicContact CZ-CG1 3.73Å
495	G	87.2	Confident	85.7	Confident	6 Å²	6	65.5 Å²	65.5	6%	0.062	32%	0.321	C	S	.	.			trans	81.6	23.1	172.3	0	0	0	0	0	114.8	S493 S511	S493-G495 PolarHBondContact O-N 3.23Å; G495-S511 WeakPolarHBondContact O-CB 3.39Å; G495-S511 PolarHBondContact O-N 3.43Å
496	L	90	Very high	85.8	Confident	30 Å²	30	69.1 Å²	69.1	16%	0.157	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	136.6	171.9	-61.8	178	0	0	0	111	L485 V498 I507 L510 L514 L520 F546 L554	L485-L496 HydrophobicContact CD1-CD1 3.75Å; L485-L496 HydrophobicContact CD1-CD2 4.39Å; L485-L496 HydrophobicContact CD1-CG 4.16Å; L496-V498 HydrophobicContact CB-CG1 4.47Å; L496-I507 HydrophobicContact CD2-CD1 4.13Å; L496-L510 HydrophobicContact CD2-CD2 3.44Å; L496-L510 VanDerWaalsContact CD2-CD2 3.44Å; L496-L514 HydrophobicContact CD2-CD1 3.48Å; L496-L514 VanDerWaalsContact CD2-CD1 3.48Å; L496-L514 HydrophobicContact CG-CD1 4.05Å; L496-L520 HydrophobicContact CD2-CD1 3.88Å; L496-F546 HydrophobicContact CD1-CE1 3.89Å; L496-F546 HydrophobicContact CD1-CZ 4.04Å; L496-L554 HydrophobicContact CD1-CD1 3.52Å
497	F	90.4	Very high	86.1	Confident	103 Å²	103	68.4 Å²	68.4	45%	0.452	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.9	171.9	-60.8	-97.8	0	0	0	109.1	T508 R509	F497-T508 PolarHBondContact O-N 2.7Å; F497-T508 PolarHBondContact O-OG1 3.02Å; F497-T508 VanDerWaalsContact O-OG1 3.09Å; F497-R509 HydrophobicContact CB-CB 3.8Å; F497-R509 WeakPolarHBondContact CB-O 3.38Å; F497-R509 HydrophobicContact CD2-CB 3.83Å; F497-R509 WeakPolarHBondContact CD2-O 3.22Å; F497-R509 HydrophobicContact CG-CB 3.96Å; F497-R509 PolarHBondContact N-O 3.26Å; F497-R509 PolarHBondContact O-N 3.24Å
498	V	91.7	Very high	86.4	Confident	36 Å²	36	70 Å²	70	22%	0.218	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.4	-170.2	-60	0	0	0	0	112.5	L496 Y505 R506 I507 I526 L542	L496-V498 HydrophobicContact CB-CG1 4.47Å; V498-Y505 HydrophobicContact CB-CD1 4.39Å; V498-Y505 HydrophobicContact CG2-CD1 3.89Å; V498-Y505 HydrophobicContact CG2-CG 4.29Å; V498-R506 CarbonylContact C-O 2.7Å; V498-R506 VanDerWaalsContact CA-O 3.23Å; V498-R506 WeakPolarHBondContact CA-O 3.46Å; V498-I507 HydrophobicContact CG1-CG1 4.19Å; V498-I526 HydrophobicContact CG1-CD1 3.78Å; V498-L542 HydrophobicContact CG2-CD2 3.8Å
499	I	90.3	Very high	87	Confident	90 Å²	90	72 Å²	72	46%	0.462	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	148.5	169.4	62.5	176.3	0	0	0	109.3	S501 Y505 R506 T508	I499-S501 PolarHBondContact O-N 3.45Å; I499-Y505 CarbonylContact O-C 3.29Å; I499-Y505 VanDerWaalsContact O-CA 3.28Å; I499-Y505 WeakPolarHBondContact O-CA 3.45Å; I499-R506 HydrophobicContact CG1-CB 4Å; I499-R506 PolarHBondContact N-O 2.53Å; I499-R506 PolarHBondContact O-N 3.28Å; I499-T508 HydrophobicContact CB-CG2 4.07Å; I499-T508 HydrophobicContact CD1-CG2 3.66Å; I499-T508 HydrophobicContact CG1-CG2 3.6Å; I499-T508 HydrophobicContact CG2-CG2 3.5Å; I499-T508 VanDerWaalsContact CG2-CG2 3.5Å
500	K	90.7	Very high	87.4	Confident	139 Å²	139	66.3 Å²	66.3	60%	0.604	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	130.2	175	-172.3	166.3	-177.4	166.5	0	109.9	Y505	K500-Y505 HydrophobicContact CB-CD1 4.39Å; K500-Y505 HydrophobicContact CB-CE1 4.06Å; K500-Y505 HydrophobicContact CG-CE1 4.43Å
501	S	86.9	Confident	87.6	Confident	27 Å²	27	62.9 Å²	62.9	19%	0.189	31%	0.311	C	S	.	.			trans	-117.7	-177.2	175.8	61.5	0	0	0	0	110.5	I499 G504 Y505 E525	I499-S501 PolarHBondContact O-N 3.45Å; S501-G504 PolarHBondContact N-O 2.73Å; S501-G504 PolarHBondContact OG-N 3.28Å; S501-G504 PolarHBondContact OG-O 3.34Å; S501-Y505 PolarHBondContact OG-N 2.89Å; S501-E525 WeakPolarHBondContact CB-OE1 3.38Å; S501-E525 PolarHBondContact OG-OE1 3.48Å
502	E	82.4	Confident	87.5	Confident	175 Å²	175	63.9 Å²	63.9	82%	0.818	31%	0.311	S	S	*	.	S	Bend	trans	-67.5	-35.5	-179.6	-65.6	-175.3	176.1	0	0	112.7
503	Q	81.5	Confident	87.2	Confident	99 Å²	99	67.9 Å²	67.9	46%	0.463	33%	0.328	S	S	.	.	S	Bend	trans	-102.4	-16.3	-176.2	-46.9	-171.9	3.2	0	0	113.1	E525 I527	Q503-E525 WeakPolarHBondContact CA-OE1 3.34Å; Q503-E525 VanDerWaalsContact CB-OE1 3.24Å; Q503-E525 WeakPolarHBondContact CB-OE1 3.02Å; Q503-E525 PolarHBondContact N-OE1 3.38Å; Q503-E525 VanDerWaalsContact N-OE1 3.07Å; Q503-I527 HydrophobicContact CB-CG2 4.31Å
504	G	88.7	Confident	86.8	Confident	2 Å²	2	63.6 Å²	63.6	2%	0.021	30%	0.298	C	S	.	.	S	Bend	trans	173.6	-110.4	177.2	0	0	0	0	0	112.8	S501 I526	S501-G504 PolarHBondContact N-O 2.73Å; S501-G504 PolarHBondContact OG-N 3.28Å; S501-G504 PolarHBondContact OG-O 3.34Å; G504-I526 WeakPolarHBondContact CA-O 3.37Å
505	Y	91.8	Very high	86.2	Confident	3 Å²	3	69.1 Å²	69.1	1%	0.012	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	120.1	-176.9	-73	-84.1	0	0	0	112	V498 I499 K500 S501 I526 C534 L537 N538 I539 L542	V498-Y505 HydrophobicContact CB-CD1 4.39Å; V498-Y505 HydrophobicContact CG2-CD1 3.89Å; V498-Y505 HydrophobicContact CG2-CG 4.29Å; I499-Y505 CarbonylContact O-C 3.29Å; I499-Y505 VanDerWaalsContact O-CA 3.28Å; I499-Y505 WeakPolarHBondContact O-CA 3.45Å; K500-Y505 HydrophobicContact CB-CD1 4.39Å; K500-Y505 HydrophobicContact CB-CE1 4.06Å; K500-Y505 HydrophobicContact CG-CE1 4.43Å; S501-Y505 PolarHBondContact OG-N 2.89Å; Y505-I526 PolarHBondContact N-O 3.19Å; Y505-I526 WeakPolarHBondContact O-CB 3.23Å; Y505-I526 PolarHBondContact O-N 3.13Å; Y505-C534 HydrophobicContact CD2-CB 3.89Å; Y505-C534 HydrophobicContact CE2-CB 4.3Å; Y505-L537 HydrophobicContact CE2-CB 4.5Å; Y505-L537 PolarHBondContact OH-O 2.92Å; Y505-N538 PolarHBondContact OH-O 2.88Å; Y505-I539 HydrophobicContact CE1-CD1 3.94Å; Y505-I539 PolarHBondContact OH-N 3.07Å; Y505-L542 HydrophobicContact CD1-CD2 3.85Å; Y505-L542 HydrophobicContact CD2-CD1 3.73Å; Y505-L542 HydrophobicContact CD2-CD2 3.91Å; Y505-L542 HydrophobicContact CD2-CG 4.45Å; Y505-L542 HydrophobicContact CE1-CD2 3.9Å; Y505-L542 HydrophobicContact CE2-CD1 3.69Å; Y505-L542 HydrophobicContact CE2-CD2 4Å; Y505-L542 HydrophobicContact CE2-CG 4.32Å; Y505-L542 HydrophobicContact CG-CD1 4.47Å; Y505-L542 HydrophobicContact CG-CD2 3.87Å
506	R	91.3	Very high	85.2	Confident	81 Å²	81	76.5 Å²	76.5	31%	0.306	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.8	178.6	-174.9	170.6	-67.7	-123.8	2	111.8	V498 I499 T508 G523 D524 E525	V498-R506 CarbonylContact C-O 2.7Å; V498-R506 VanDerWaalsContact CA-O 3.23Å; V498-R506 WeakPolarHBondContact CA-O 3.46Å; I499-R506 HydrophobicContact CG1-CB 4Å; I499-R506 PolarHBondContact N-O 2.53Å; I499-R506 PolarHBondContact O-N 3.28Å; R506-T508 PolarHBondContact O-N 3.07Å; R506-G523 WeakPolarHBondContact CG-O 3.4Å; R506-G523 PolarHBondContact NH1-O 3.41Å; R506-D524 CarbonylContact C-O 3.03Å; R506-D524 WeakPolarHBondContact CA-O 3.33Å; R506-E525 IonicContact CZ-OE2 3.73Å; R506-E525 IonicContact NE-OE2 2.58Å; R506-E525 IonicContact NH2-OE2 2.88Å; R506-E525 PolarHBondContact NH2-OE2 3.33Å
507	I	90.2	Very high	84	Confident	1 Å²	1	77.6 Å²	77.6	1%	0.005	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	123.7	174.7	-63	-178.9	0	0	0	109.5	L496 V498 L510 L520 G523 D524 I526 F556	L496-I507 HydrophobicContact CD2-CD1 4.13Å; V498-I507 HydrophobicContact CG1-CG1 4.19Å; I507-L510 HydrophobicContact CD1-CD2 4.35Å; I507-L510 HydrophobicContact CG2-CD2 3.7Å; I507-L510 HydrophobicContact CG2-CG 4.01Å; I507-L520 HydrophobicContact CD1-CD2 4.22Å; I507-G523 PolarHBondContact O-N 3.29Å; I507-D524 HydrophobicContact CD1-CB 4.36Å; I507-D524 PolarHBondContact N-O 2.98Å; I507-I526 HydrophobicContact CG1-CD1 4.17Å; I507-I526 HydrophobicContact CG1-CG1 4.44Å; I507-F556 HydrophobicContact CD1-CE1 3.54Å; I507-F556 HydrophobicContact CD1-CZ 4.15Å; I507-F556 HydrophobicContact CG1-CE1 4.35Å
508	T	89.7	Confident	82.8	Confident	50 Å²	50	79.3 Å²	79.3	31%	0.307	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-30.2	176.7	56.5	0	0	0	0	113.1	F497 I499 R506 I522	F497-T508 PolarHBondContact O-N 2.7Å; F497-T508 PolarHBondContact O-OG1 3.02Å; F497-T508 VanDerWaalsContact O-OG1 3.09Å; I499-T508 HydrophobicContact CB-CG2 4.07Å; I499-T508 HydrophobicContact CD1-CG2 3.66Å; I499-T508 HydrophobicContact CG1-CG2 3.6Å; I499-T508 HydrophobicContact CG2-CG2 3.5Å; I499-T508 VanDerWaalsContact CG2-CG2 3.5Å; R506-T508 PolarHBondContact O-N 3.07Å; T508-I522 WeakPolarHBondContact O-CG2 3.49Å
509	R	89.1	Confident	81.9	Confident	163 Å²	163	80 Å²	80	62%	0.615	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.4	155	176.9	-54.4	-179.6	176.6	174.5	-1.4	110	F497	F497-R509 HydrophobicContact CB-CB 3.8Å; F497-R509 WeakPolarHBondContact CB-O 3.38Å; F497-R509 HydrophobicContact CD2-CB 3.83Å; F497-R509 WeakPolarHBondContact CD2-O 3.22Å; F497-R509 HydrophobicContact CG-CB 3.96Å; F497-R509 PolarHBondContact N-O 3.26Å; F497-R509 PolarHBondContact O-N 3.24Å
510	L	88.7	Confident	81.6	Confident	14 Å²	14	76.1 Å²	76.1	7%	0.073	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	140.6	172.9	-63.9	172.5	0	0	0	108.6	L496 I507 L514 K515 L520	L496-L510 HydrophobicContact CD2-CD2 3.44Å; L496-L510 VanDerWaalsContact CD2-CD2 3.44Å; I507-L510 HydrophobicContact CD1-CD2 4.35Å; I507-L510 HydrophobicContact CG2-CD2 3.7Å; I507-L510 HydrophobicContact CG2-CG 4.01Å; L510-L514 HydrophobicContact CB-CB 4.27Å; L510-L514 HydrophobicContact CD2-CB 4.49Å; L510-L514 HydrophobicContact CD2-CD1 4.25Å; L510-K515 HydrophobicContact CB-CG 4.22Å; L510-K515 WeakPolarHBondContact O-CE 3.3Å; L510-L520 HydrophobicContact CD1-CB 3.87Å; L510-L520 WeakPolarHBondContact CD1-O 3.47Å; L510-L520 HydrophobicContact CD2-CB 4.18Å; L510-L520 HydrophobicContact CD2-CD1 4.47Å
511	S	86.1	Confident	81.2	Confident	28 Å²	28	73.9 Å²	73.9	20%	0.196	35%	0.348	C	S	.	.			trans	-59.8	155.5	169.4	71.9	0	0	0	0	110.5	G495 K513 L514 K515	G495-S511 WeakPolarHBondContact O-CB 3.39Å; G495-S511 PolarHBondContact O-N 3.43Å; S511-K513 PolarHBondContact O-N 2.95Å; S511-L514 PolarHBondContact O-N 2.86Å; S511-L514 PolarHBondContact OG-N 3.43Å; S511-K515 WeakPolarHBondContact O-CG 3.48Å; S511-K515 PolarHBondContact O-N 2.85Å
512	E	78.3	Confident	81.2	Confident	155 Å²	155	77.9 Å²	77.9	72%	0.724	37%	0.366	S	S	*	.	H	α-helix	trans	-58	-31.4	179	-66.7	-178.8	169.2	0	0	112.7	L514 K515	E512-L514 VanDerWaalsContact C-N 3.31Å; E512-L514 PolarHBondContact O-N 3.33Å; E512-K515 PolarHBondContact O-N 2.83Å
513	K	74.2	Confident	81.3	Confident	118 Å²	118	70.3 Å²	70.3	51%	0.513	34%	0.335	S	S	.	.	H	α-helix	trans	-61.8	-38.6	174.8	-58.5	-171.3	-179.3	-170.7	0	112.2	E492 S511	E492-K513 IonicContact OE1-NZ 2.58Å; E492-K513 PolarHBondContact OE1-NZ 3.36Å; S511-K513 PolarHBondContact O-N 2.95Å
514	L	77.4	Confident	81.5	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-87.7	-18.4	178.5	-70.3	-174.5	0	0	0	113.9	Y452 L485 F494 L496 L510 S511 E512 Q516 N517 L520	Y452-L514 HydrophobicContact CE1-CD2 4.48Å; L485-L514 HydrophobicContact CD2-CD2 4.2Å; F494-L514 WeakPolarHBondContact O-CD1 3.09Å; L496-L514 HydrophobicContact CD2-CD1 3.48Å; L496-L514 VanDerWaalsContact CD2-CD1 3.48Å; L496-L514 HydrophobicContact CG-CD1 4.05Å; L510-L514 HydrophobicContact CB-CB 4.27Å; L510-L514 HydrophobicContact CD2-CB 4.49Å; L510-L514 HydrophobicContact CD2-CD1 4.25Å; S511-L514 PolarHBondContact O-N 2.86Å; S511-L514 PolarHBondContact OG-N 3.43Å; E512-L514 VanDerWaalsContact C-N 3.31Å; E512-L514 PolarHBondContact O-N 3.33Å; L514-Q516 PolarHBondContact O-N 3.19Å; L514-N517 WeakPolarHBondContact O-CB 3.45Å; L514-N517 PolarHBondContact O-N 2.86Å; L514-L520 HydrophobicContact CD1-CD1 4.1Å
515	K	73.5	Confident	81.6	Confident	130 Å²	130	66.5 Å²	66.5	57%	0.565	32%	0.316	S	S	*	.	H	α-helix	trans	-63.9	-24.1	176.9	-75.2	-179.3	-172.9	173.5	0	112.9	L510 S511 E512	L510-K515 HydrophobicContact CB-CG 4.22Å; L510-K515 WeakPolarHBondContact O-CE 3.3Å; S511-K515 WeakPolarHBondContact O-CG 3.48Å; S511-K515 PolarHBondContact O-N 2.85Å; E512-K515 PolarHBondContact O-N 2.83Å
516	Q	67	Low	81.5	Confident	161 Å²	161	66.4 Å²	66.4	75%	0.752	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-18.5	174.1	-64.5	179.5	-3.5	0	0	111.9	L514 N518	L514-Q516 PolarHBondContact O-N 3.19Å; Q516-N518 PolarHBondContact O-N 2.7Å
517	N	65.1	Low	81.5	Confident	53 Å²	53	63.9 Å²	63.9	28%	0.283	31%	0.308	S	S	.	.			trans	-87.4	107.2	178.6	-67.9	-15.4	0	0	0	110.1	L514 Q519 L520	L514-N517 WeakPolarHBondContact O-CB 3.45Å; L514-N517 PolarHBondContact O-N 2.86Å; N517-Q519 PolarHBondContact O-N 3.37Å; N517-L520 PolarHBondContact O-N 3.22Å
518	N	64.7	Low	81.5	Confident	139 Å²	139	65.7 Å²	65.7	74%	0.743	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	4.4	177.6	-66.3	-16.4	0	0	0	114.7	Q516 H521	Q516-N518 PolarHBondContact O-N 2.7Å; N518-H521 PolarHBondContact O-CE1 2.94Å; N518-H521 VanDerWaalsContact O-CE1 3.25Å; N518-H521 PolarHBondContact O-NE2 2.99Å
519	Q	72.8	Confident	81.5	Confident	52 Å²	52	63.3 Å²	63.3	24%	0.243	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-0.9	-176.9	-61.6	-177.3	15.6	0	0	112.7	R481 N517	R481-Q519 PolarHBondContact NH1-O 2.85Å; R481-Q519 PolarHBondContact NH2-O 2.79Å; N517-Q519 PolarHBondContact O-N 3.37Å
520	L	83.9	Confident	81.5	Confident	7 Å²	7	58.3 Å²	58.3	4%	0.037	29%	0.287	C	S	.	.			trans	-128.5	128.7	174	-69.3	174	0	0	0	109	V483 L485 L496 I507 L510 L514 N517 F556	V483-L520 HydrophobicContact CB-CD2 4.4Å; V483-L520 HydrophobicContact CG1-CD2 4.33Å; V483-L520 HydrophobicContact CG1-CG 4.46Å; V483-L520 HydrophobicContact CG2-CD2 4.12Å; L485-L520 HydrophobicContact CD1-CD1 4.25Å; L485-L520 HydrophobicContact CD2-CD1 4.02Å; L496-L520 HydrophobicContact CD2-CD1 3.88Å; I507-L520 HydrophobicContact CD1-CD2 4.22Å; L510-L520 HydrophobicContact CD1-CB 3.87Å; L510-L520 WeakPolarHBondContact CD1-O 3.47Å; L510-L520 HydrophobicContact CD2-CB 4.18Å; L510-L520 HydrophobicContact CD2-CD1 4.47Å; L514-L520 HydrophobicContact CD1-CD1 4.1Å; N517-L520 PolarHBondContact O-N 3.22Å; L520-F556 HydrophobicContact CD2-CE1 3.94Å; L520-F556 HydrophobicContact CD2-CE2 3.58Å; L520-F556 HydrophobicContact CD2-CZ 3.22Å
521	H	82.9	Confident	81.2	Confident	93 Å²	93	60.1 Å²	60.1	43%	0.431	31%	0.309	S	S	.	.			trans	-119.2	149.2	-179	-56	100	0	0	0	110.4	N518 G523 D524	N518-H521 PolarHBondContact O-CE1 2.94Å; N518-H521 VanDerWaalsContact O-CE1 3.25Å; N518-H521 PolarHBondContact O-NE2 2.99Å; H521-G523 PolarHBondContact O-N 3.11Å; H521-D524 WeakPolarHBondContact CA-OD2 3.37Å; H521-D524 WeakPolarHBondContact CB-OD2 3.3Å; H521-D524 PolarHBondContact N-OD2 3.43Å; H521-D524 IonicContact ND1-OD2 3.72Å; H521-D524 PolarHBondContact O-N 3.4Å
522	I	85.5	Confident	81.3	Confident	111 Å²	111	62.3 Å²	62.3	57%	0.569	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	126.2	167.4	-62.5	171.9	0	0	0	106.8	T508	T508-I522 WeakPolarHBondContact O-CG2 3.49Å
523	G	85.3	Confident	81.8	Confident	16 Å²	16	60.2 Å²	60.2	17%	0.165	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	111.6	-18.3	-176.4	0	0	0	0	0	114.2	R506 I507 H521	R506-G523 WeakPolarHBondContact CG-O 3.4Å; R506-G523 PolarHBondContact NH1-O 3.41Å; I507-G523 PolarHBondContact O-N 3.29Å; H521-G523 PolarHBondContact O-N 3.11Å
524	D	86.4	Confident	82.5	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	28%	0.284	C	S	.	.			trans	-66.2	142.9	-179.9	-63.7	-26.5	0	0	0	112.3	R481 R506 I507 H521 F556 S559	R481-D524 IonicContact CZ-OD2 3.69Å; R481-D524 IonicContact NH2-OD1 3.98Å; R481-D524 IonicContact NH2-OD2 3.73Å; R481-D524 PolarHBondContact NH2-OD2 3.31Å; R506-D524 CarbonylContact C-O 3.03Å; R506-D524 WeakPolarHBondContact CA-O 3.33Å; I507-D524 HydrophobicContact CD1-CB 4.36Å; I507-D524 PolarHBondContact N-O 2.98Å; H521-D524 WeakPolarHBondContact CA-OD2 3.37Å; H521-D524 WeakPolarHBondContact CB-OD2 3.3Å; H521-D524 PolarHBondContact N-OD2 3.43Å; H521-D524 IonicContact ND1-OD2 3.72Å; H521-D524 PolarHBondContact O-N 3.4Å; D524-F556 HydrophobicContact CB-CD1 3.73Å; D524-F556 HydrophobicContact CB-CE1 4.24Å; D524-F556 HydrophobicContact CB-CG 4.5Å; D524-S559 PolarHBondContact OD1-OG 3.34Å
525	E	89.4	Confident	82.9	Confident	19 Å²	19	61.6 Å²	61.6	9%	0.089	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	111.6	-176.1	-170.1	153.9	176	0	0	110.8	S501 Q503 R506 I527 F556 I557	S501-E525 WeakPolarHBondContact CB-OE1 3.38Å; S501-E525 PolarHBondContact OG-OE1 3.48Å; Q503-E525 WeakPolarHBondContact CA-OE1 3.34Å; Q503-E525 VanDerWaalsContact CB-OE1 3.24Å; Q503-E525 WeakPolarHBondContact CB-OE1 3.02Å; Q503-E525 PolarHBondContact N-OE1 3.38Å; Q503-E525 VanDerWaalsContact N-OE1 3.07Å; R506-E525 IonicContact CZ-OE2 3.73Å; R506-E525 IonicContact NE-OE2 2.58Å; R506-E525 IonicContact NH2-OE2 2.88Å; R506-E525 PolarHBondContact NH2-OE2 3.33Å; E525-I527 PolarHBondContact O-N 3.16Å; E525-F556 CarbonylContact O-C 3.46Å; E525-F556 VanDerWaalsContact O-CA 3.25Å; E525-F556 WeakPolarHBondContact O-CA 3.29Å; E525-I557 PolarHBondContact O-N 3.45Å
526	I	90.8	Very high	83.3	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	117.4	176.1	-55.3	162.7	0	0	0	108.3	V498 G504 Y505 I507 I529 L554 T555 F556	V498-I526 HydrophobicContact CG1-CD1 3.78Å; G504-I526 WeakPolarHBondContact CA-O 3.37Å; Y505-I526 PolarHBondContact N-O 3.19Å; Y505-I526 WeakPolarHBondContact O-CB 3.23Å; Y505-I526 PolarHBondContact O-N 3.13Å; I507-I526 HydrophobicContact CG1-CD1 4.17Å; I507-I526 HydrophobicContact CG1-CG1 4.44Å; I526-I529 HydrophobicContact CG2-CD1 4.16Å; I526-I529 HydrophobicContact CG2-CG1 3.76Å; I526-L554 HydrophobicContact CG2-CD2 4.37Å; I526-T555 WeakPolarHBondContact CA-O 3.28Å; I526-F556 HydrophobicContact CB-CD1 4.48Å; I526-F556 HydrophobicContact CB-CE1 4.37Å; I526-F556 HydrophobicContact CD1-CE1 4.13Å; I526-F556 HydrophobicContact CG1-CD1 3.73Å; I526-F556 HydrophobicContact CG1-CE1 3.24Å; I526-F556 HydrophobicContact CG1-CZ 4.01Å
527	I	90.2	Very high	84.2	Confident	28 Å²	28	57 Å²	57	14%	0.144	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-29.2	178.8	55.1	163.4	0	0	0	113.1	V480 Q503 E525 C534 T555 I557	V480-I527 HydrophobicContact CG1-CD1 4.3Å; V480-I527 HydrophobicContact CG2-CD1 4.43Å; Q503-I527 HydrophobicContact CB-CG2 4.31Å; E525-I527 PolarHBondContact O-N 3.16Å; I527-C534 WeakPolarHBondContact O-CB 3.49Å; I527-C534 PolarHBondContact O-N 2.75Å; I527-T555 HydrophobicContact CD1-CG2 3.81Å; I527-T555 HydrophobicContact CG1-CG2 3.81Å; I527-T555 VanDerWaalsContact CG1-O 3.26Å; I527-T555 WeakPolarHBondContact CG1-O 3.17Å; I527-T555 PolarHBondContact N-O 3.04Å; I527-I557 HydrophobicContact CD1-CD1 4.33Å; I527-I557 HydrophobicContact CD1-CG1 3.97Å; I527-I557 HydrophobicContact CG1-CG1 4.4Å; I527-I557 HydrophobicContact CG2-CD1 3.5Å; I527-I557 HydrophobicContact CG2-CG1 3.79Å
528	Q	91	Very high	85.2	Confident	39 Å²	39	57.8 Å²	57.8	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	151	176.6	-59.6	172	-35.8	0	0	111.9	I532 H533 T555	Q528-I532 CarbonylContact C-O 3.52Å; Q528-I532 WeakPolarHBondContact CA-O 3.49Å; Q528-H533 PolarHBondContact NE2-CE1 3.02Å; Q528-H533 PolarHBondContact NE2-NE2 3.09Å; Q528-H533 VanDerWaalsContact NE2-NE2 3.2Å; Q528-T555 PolarHBondContact N-O 2.96Å; Q528-T555 PolarHBondContact O-N 3.29Å; Q528-T555 PolarHBondContact OE1-OG1 3.21Å
529	I	89.9	Confident	86.2	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	118.6	175.8	-65.6	170.2	0	0	0	107.5	I526 G531 I532 C534 L542 F546 I552 I553 L554	I526-I529 HydrophobicContact CG2-CD1 4.16Å; I526-I529 HydrophobicContact CG2-CG1 3.76Å; I529-G531 PolarHBondContact O-N 3.22Å; I529-I532 PolarHBondContact N-O 3.1Å; I529-I532 WeakPolarHBondContact O-CB 3.45Å; I529-I532 PolarHBondContact O-N 3.38Å; I529-C534 VanDerWaalsContact CD1-SG 3.53Å; I529-C534 VanDerWaalsContact CG1-SG 3.57Å; I529-L542 HydrophobicContact CD1-CD1 3.22Å; I529-L542 HydrophobicContact CD1-CG 4.21Å; I529-F546 HydrophobicContact CD1-CD2 4.49Å; I529-F546 HydrophobicContact CD1-CE2 3.53Å; I529-F546 HydrophobicContact CD1-CZ 4.04Å; I529-I552 HydrophobicContact CG2-CG2 3.48Å; I529-I552 VanDerWaalsContact CG2-CG2 3.48Å; I529-I553 CarbonylContact C-O 3.58Å; I529-I553 WeakPolarHBondContact CA-O 3.3Å; I529-L554 HydrophobicContact CB-CD2 4.44Å; I529-L554 HydrophobicContact CD1-CD2 4.34Å; I529-L554 HydrophobicContact CG1-CD2 3.66Å; I529-L554 HydrophobicContact CG2-CD2 4.32Å
530	N	88	Confident	86.9	Confident	58 Å²	58	59.9 Å²	59.9	31%	0.31	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	38.6	-174.4	-65.6	-8.2	0	0	0	112.4	I532 I552 I553	N530-I532 VanDerWaalsContact C-N 3.26Å; N530-I532 PolarHBondContact O-N 3Å; N530-I552 WeakPolarHBondContact OD1-CA 3.13Å; N530-I553 PolarHBondContact N-O 3.05Å; N530-I553 PolarHBondContact OD1-N 3.18Å
531	G	83.9	Confident	87.2	Confident	52 Å²	52	63 Å²	63	54%	0.536	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	-6.2	-176	0	0	0	0	0	115.6	I529	I529-G531 PolarHBondContact O-N 3.22Å
532	I	87.3	Confident	87.5	Confident	75 Å²	75	58.9 Å²	58.9	39%	0.385	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	125.6	179	-53.7	173.3	0	0	0	110	Q528 I529 N530 C534 L537 L545	Q528-I532 CarbonylContact C-O 3.52Å; Q528-I532 WeakPolarHBondContact CA-O 3.49Å; I529-I532 PolarHBondContact N-O 3.1Å; I529-I532 WeakPolarHBondContact O-CB 3.45Å; I529-I532 PolarHBondContact O-N 3.38Å; N530-I532 VanDerWaalsContact C-N 3.26Å; N530-I532 PolarHBondContact O-N 3Å; I532-C534 PolarHBondContact O-N 3.2Å; I532-L537 HydrophobicContact CG2-CD1 3.89Å; I532-L537 HydrophobicContact CG2-CD2 4.09Å; I532-L537 HydrophobicContact CG2-CG 4.19Å; I532-L545 HydrophobicContact CD1-CD1 4.16Å; I532-L545 HydrophobicContact CD1-CD2 3.97Å
533	H	89.2	Confident	87.7	Confident	110 Å²	110	58.9 Å²	58.9	51%	0.509	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	123.3	177.7	-74.7	-81.1	0	0	0	112.8	Q528 K535	Q528-H533 PolarHBondContact NE2-CE1 3.02Å; Q528-H533 PolarHBondContact NE2-NE2 3.09Å; Q528-H533 VanDerWaalsContact NE2-NE2 3.2Å; H533-K535 VanDerWaalsContact C-N 3.33Å; H533-K535 PolarHBondContact O-N 3.19Å
534	C	89.4	Confident	87.8	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.007	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-70.7	-24.2	-176.6	-75.4	0	0	0	0	114.4	Y505 I527 I529 I532 Q536 L537	Y505-C534 HydrophobicContact CD2-CB 3.89Å; Y505-C534 HydrophobicContact CE2-CB 4.3Å; I527-C534 WeakPolarHBondContact O-CB 3.49Å; I527-C534 PolarHBondContact O-N 2.75Å; I529-C534 VanDerWaalsContact CD1-SG 3.53Å; I529-C534 VanDerWaalsContact CG1-SG 3.57Å; I532-C534 PolarHBondContact O-N 3.2Å; C534-Q536 PolarHBondContact O-N 3.32Å; C534-L537 PolarHBondContact O-N 2.91Å
535	K	85.4	Confident	87.9	Confident	147 Å²	147	64.4 Å²	64.4	64%	0.639	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-54.8	-37.3	-178	-169.7	175.4	-176.5	177.6	0	113.1	H533	H533-K535 VanDerWaalsContact C-N 3.33Å; H533-K535 PolarHBondContact O-N 3.19Å
536	Q	80.8	Confident	87.9	Confident	176 Å²	176	64.9 Å²	64.9	82%	0.822	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-92.8	-10.5	-178.1	-65.3	175.2	-7.7	0	0	113.1	C534	C534-Q536 PolarHBondContact O-N 3.32Å
537	L	86.3	Confident	87.7	Confident	19 Å²	19	70.2 Å²	70.2	10%	0.099	34%	0.343	C	S	.	.			trans	-80.4	130.3	-179.5	-65.9	177.6	0	0	0	110.6	Y505 I532 C534 N541 L542 L545	Y505-L537 HydrophobicContact CE2-CB 4.5Å; Y505-L537 PolarHBondContact OH-O 2.92Å; I532-L537 HydrophobicContact CG2-CD1 3.89Å; I532-L537 HydrophobicContact CG2-CD2 4.09Å; I532-L537 HydrophobicContact CG2-CG 4.19Å; C534-L537 PolarHBondContact O-N 2.91Å; L537-N541 HydrophobicContact CD2-CB 3.99Å; L537-L542 HydrophobicContact CD1-CD1 4.35Å; L537-L545 HydrophobicContact CD1-CD1 3.65Å; L537-L545 HydrophobicContact CD2-CD1 4.45Å
538	N	86.7	Confident	87.5	Confident	70 Å²	70	72.4 Å²	72.4	37%	0.374	36%	0.356	S	S	.	.			trans	-76.6	166.6	164.4	70.9	16.8	0	0	0	110	Y505 Y540 N541 L542	Y505-N538 PolarHBondContact OH-O 2.88Å; N538-Y540 PolarHBondContact O-N 2.8Å; N538-Y540 PolarHBondContact OD1-N 3.04Å; N538-N541 PolarHBondContact O-N 3.35Å; N538-N541 WeakPolarHBondContact OD1-CB 3.47Å; N538-N541 PolarHBondContact OD1-N 3.28Å; N538-N541 PolarHBondContact OD1-ND2 3.06Å; N538-N541 PolarHBondContact OD1-OD1 3.23Å; N538-L542 PolarHBondContact O-N 2.77Å
539	I	86.1	Confident	87.2	Confident	69 Å²	69	72.8 Å²	72.8	35%	0.354	36%	0.359	S	S	.	.	H	α-helix	trans	-63.4	-29.9	-177.8	-170.1	61.1	0	0	0	112.6	Y505 L542 Q543	Y505-I539 HydrophobicContact CE1-CD1 3.94Å; Y505-I539 PolarHBondContact OH-N 3.07Å; I539-L542 HydrophobicContact CD1-CD2 3.95Å; I539-L542 WeakPolarHBondContact O-CB 3.33Å; I539-L542 PolarHBondContact O-N 3.4Å; I539-Q543 WeakPolarHBondContact O-CB 2.97Å; I539-Q543 VanDerWaalsContact O-CG 3.3Å; I539-Q543 WeakPolarHBondContact O-CG 3.29Å; I539-Q543 PolarHBondContact O-N 3.39Å
540	Y	87.7	Confident	87.1	Confident	165 Å²	165	77 Å²	77	65%	0.647	38%	0.379	S	S	*	.	H	α-helix	trans	-70.3	-43.4	179.1	-63.4	-72.4	0	0	0	112.1	N538 L542 Q543 K544	N538-Y540 PolarHBondContact O-N 2.8Å; N538-Y540 PolarHBondContact OD1-N 3.04Å; Y540-L542 VanDerWaalsContact C-N 3.29Å; Y540-L542 PolarHBondContact O-N 2.72Å; Y540-Q543 PolarHBondContact O-N 3.04Å; Y540-K544 WeakPolarHBondContact O-CB 3.4Å; Y540-K544 PolarHBondContact O-N 3.19Å
541	N	88.7	Confident	87	Confident	74 Å²	74	77.2 Å²	77.2	40%	0.396	39%	0.385	S	S	.	.	H	α-helix	trans	-64.4	-39.8	174.9	-65.8	-12.5	0	0	0	110	L537 N538 K544 L545	L537-N541 HydrophobicContact CD2-CB 3.99Å; N538-N541 PolarHBondContact O-N 3.35Å; N538-N541 WeakPolarHBondContact OD1-CB 3.47Å; N538-N541 PolarHBondContact OD1-N 3.28Å; N538-N541 PolarHBondContact OD1-ND2 3.06Å; N538-N541 PolarHBondContact OD1-OD1 3.23Å; N541-K544 PolarHBondContact O-N 2.96Å; N541-L545 WeakPolarHBondContact O-CB 3.21Å; N541-L545 VanDerWaalsContact O-CG 3.3Å; N541-L545 WeakPolarHBondContact O-CG 3.25Å; N541-L545 PolarHBondContact O-N 2.97Å
542	L	89.7	Confident	87.3	Confident	5 Å²	5	74.8 Å²	74.8	3%	0.026	36%	0.359	C	S	.	.	H	α-helix	trans	-57.9	-55.5	172.5	-159.9	81.7	0	0	0	110.8	V498 Y505 I529 L537 N538 I539 Y540 K544 L545 F546	V498-L542 HydrophobicContact CG2-CD2 3.8Å; Y505-L542 HydrophobicContact CD1-CD2 3.85Å; Y505-L542 HydrophobicContact CD2-CD1 3.73Å; Y505-L542 HydrophobicContact CD2-CD2 3.91Å; Y505-L542 HydrophobicContact CD2-CG 4.45Å; Y505-L542 HydrophobicContact CE1-CD2 3.9Å; Y505-L542 HydrophobicContact CE2-CD1 3.69Å; Y505-L542 HydrophobicContact CE2-CD2 4Å; Y505-L542 HydrophobicContact CE2-CG 4.32Å; Y505-L542 HydrophobicContact CG-CD1 4.47Å; Y505-L542 HydrophobicContact CG-CD2 3.87Å; I529-L542 HydrophobicContact CD1-CD1 3.22Å; I529-L542 HydrophobicContact CD1-CG 4.21Å; L537-L542 HydrophobicContact CD1-CD1 4.35Å; N538-L542 PolarHBondContact O-N 2.77Å; I539-L542 HydrophobicContact CD1-CD2 3.95Å; I539-L542 WeakPolarHBondContact O-CB 3.33Å; I539-L542 PolarHBondContact O-N 3.4Å; Y540-L542 VanDerWaalsContact C-N 3.29Å; Y540-L542 PolarHBondContact O-N 2.72Å; L542-K544 VanDerWaalsContact C-N 3.27Å; L542-K544 PolarHBondContact O-N 3.45Å; L542-L545 WeakPolarHBondContact O-CB 3.27Å; L542-L545 PolarHBondContact O-N 3.29Å; L542-L545 VanDerWaalsContact O-N 3.12Å; L542-F546 HydrophobicContact CD1-CE2 4.27Å; L542-F546 HydrophobicContact CD2-CE2 4.38Å; L542-F546 HydrophobicContact CG-CD2 4.06Å; L542-F546 HydrophobicContact CG-CE2 3.94Å; L542-F546 VanDerWaalsContact O-CD2 3.3Å; L542-F546 WeakPolarHBondContact O-CD2 3.19Å; L542-F546 PolarHBondContact O-N 3.14Å
543	Q	88.9	Confident	87.4	Confident	112 Å²	112	74.6 Å²	74.6	52%	0.523	36%	0.359	S	S	.	.	H	α-helix	trans	-57.2	-41	179.3	-76.4	175.4	-17.3	0	0	112.1	I539 Y540 F546 H547	I539-Q543 WeakPolarHBondContact O-CB 2.97Å; I539-Q543 VanDerWaalsContact O-CG 3.3Å; I539-Q543 WeakPolarHBondContact O-CG 3.29Å; I539-Q543 PolarHBondContact O-N 3.39Å; Y540-Q543 PolarHBondContact O-N 3.04Å; Q543-F546 PolarHBondContact O-N 3.21Å; Q543-H547 WeakPolarHBondContact O-CB 3.24Å; Q543-H547 PolarHBondContact O-N 3.01Å
544	K	87.4	Confident	87.5	Confident	94 Å²	94	69.4 Å²	69.4	41%	0.409	33%	0.334	S	S	.	.	H	α-helix	trans	-64.9	-41.7	177	-169.3	175.3	-178.2	-171.3	0	112.2	Y104 Y540 N541 L542 F546 H547 N548	Y104-K544 VanDerWaalsContact CE1-NZ 3.26Å; Y104-K544 WeakPolarHBondContact OH-CE 3.39Å; Y104-K544 PolarHBondContact OH-NZ 3.34Å; Y104-K544 VanDerWaalsContact OH-NZ 3.15Å; Y540-K544 WeakPolarHBondContact O-CB 3.4Å; Y540-K544 PolarHBondContact O-N 3.19Å; N541-K544 PolarHBondContact O-N 2.96Å; L542-K544 VanDerWaalsContact C-N 3.27Å; L542-K544 PolarHBondContact O-N 3.45Å; K544-F546 VanDerWaalsContact C-N 3.34Å; K544-H547 PolarHBondContact O-N 3.26Å; K544-N548 WeakPolarHBondContact O-CB 3.5Å; K544-N548 PolarHBondContact O-N 3.4Å; K544-N548 PolarHBondContact O-OD1 3.39Å
545	L	88.6	Confident	87.5	Confident	38 Å²	38	69.4 Å²	69.4	20%	0.199	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-42.1	173.1	-74.1	169.8	0	0	0	111.4	I532 L537 N541 L542 N549	I532-L545 HydrophobicContact CD1-CD1 4.16Å; I532-L545 HydrophobicContact CD1-CD2 3.97Å; L537-L545 HydrophobicContact CD1-CD1 3.65Å; L537-L545 HydrophobicContact CD2-CD1 4.45Å; N541-L545 WeakPolarHBondContact O-CB 3.21Å; N541-L545 VanDerWaalsContact O-CG 3.3Å; N541-L545 WeakPolarHBondContact O-CG 3.25Å; N541-L545 PolarHBondContact O-N 2.97Å; L542-L545 WeakPolarHBondContact O-CB 3.27Å; L542-L545 PolarHBondContact O-N 3.29Å; L542-L545 VanDerWaalsContact O-N 3.12Å; L545-N549 WeakPolarHBondContact O-CB 3.48Å; L545-N549 PolarHBondContact O-N 2.79Å; L545-N549 PolarHBondContact O-ND2 3.14Å
546	F	89.8	Confident	87.6	Confident	30 Å²	30	62.4 Å²	62.4	13%	0.132	30%	0.304	C	S	.	.	H	α-helix	trans	-68.2	-35.1	176.2	-83.5	-88.1	0	0	0	112.8	R487 F494 L496 I529 L542 Q543 K544 I552 L554	R487-F546 PolarHBondContact NH2-O 3.46Å; R487-F546 VanDerWaalsContact NH2-O 3.17Å; F494-F546 HydrophobicContact CB-CD1 4.2Å; F494-F546 HydrophobicContact CB-CE1 4.42Å; F494-F546 HydrophobicContact CD2-CB 4.49Å; F494-F546 AromaticContact CD2-CD1 3.6Å; F494-F546 HydrophobicContact CD2-CD1 3.6Å; F494-F546 HydrophobicContact CD2-CE1 4.4Å; F494-F546 HydrophobicContact CE2-CD1 4.24Å; F494-F546 WeakPolarHBondContact CE2-O 3.19Å; F494-F546 HydrophobicContact CG-CD1 4.07Å; F494-F546 HydrophobicContact CG-CE1 4.46Å; L496-F546 HydrophobicContact CD1-CE1 3.89Å; L496-F546 HydrophobicContact CD1-CZ 4.04Å; I529-F546 HydrophobicContact CD1-CD2 4.49Å; I529-F546 HydrophobicContact CD1-CE2 3.53Å; I529-F546 HydrophobicContact CD1-CZ 4.04Å; L542-F546 HydrophobicContact CD1-CE2 4.27Å; L542-F546 HydrophobicContact CD2-CE2 4.38Å; L542-F546 HydrophobicContact CG-CD2 4.06Å; L542-F546 HydrophobicContact CG-CE2 3.94Å; L542-F546 VanDerWaalsContact O-CD2 3.3Å; L542-F546 WeakPolarHBondContact O-CD2 3.19Å; L542-F546 PolarHBondContact O-N 3.14Å; Q543-F546 PolarHBondContact O-N 3.21Å; K544-F546 VanDerWaalsContact C-N 3.34Å; F546-I552 HydrophobicContact CB-CD1 4.2Å; F546-I552 HydrophobicContact CD1-CD1 3.33Å; F546-I552 HydrophobicContact CE1-CD1 3.77Å; F546-I552 HydrophobicContact CE1-CG2 4.5Å; F546-I552 HydrophobicContact CG-CD1 3.81Å; F546-L554 HydrophobicContact CE1-CD2 4.35Å; F546-L554 HydrophobicContact CZ-CD2 3.84Å
547	H	86.7	Confident	87.5	Confident	112 Å²	112	55.5 Å²	55.5	52%	0.519	27%	0.272	S	S	.	.	H	α-helix	trans	-74.3	-36.1	-179.5	-173.1	64.4	0	0	0	112.8	R487 Q543 K544	R487-H547 PolarHBondContact NH2-O 3.26Å; Q543-H547 WeakPolarHBondContact O-CB 3.24Å; Q543-H547 PolarHBondContact O-N 3.01Å; K544-H547 PolarHBondContact O-N 3.26Å
548	N	85.9	Confident	86.7	Confident	75 Å²	75	56.2 Å²	56.2	40%	0.401	28%	0.276	S	S	.	.	H	α-helix	trans	-84.6	-13.5	-173.5	-67.9	-0.3	0	0	0	114.2	Y104 K544	Y104-N548 PolarHBondContact OH-ND2 3.1Å; K544-N548 WeakPolarHBondContact O-CB 3.5Å; K544-N548 PolarHBondContact O-N 3.4Å; K544-N548 PolarHBondContact O-OD1 3.39Å
549	N	86.1	Confident	85.4	Confident	47 Å²	47	54.6 Å²	54.6	25%	0.251	27%	0.271	S	S	.	.			trans	-108.5	136.1	-173.8	-70.4	-55.7	0	0	0	111.6	R487 F494 L545 I552	R487-N549 VanDerWaalsContact CZ-O 3.31Å; R487-N549 PolarHBondContact NE-O 3.44Å; R487-N549 PolarHBondContact NH2-O 2.96Å; F494-N549 WeakPolarHBondContact CE2-O 3.49Å; F494-N549 WeakPolarHBondContact CZ-O 3.41Å; L545-N549 WeakPolarHBondContact O-CB 3.48Å; L545-N549 PolarHBondContact O-N 2.79Å; L545-N549 PolarHBondContact O-ND2 3.14Å; N549-I552 HydrophobicContact CB-CD1 4.09Å; N549-I552 HydrophobicContact CB-CG1 3.63Å
550	Q	86.4	Confident	83.8	Confident	88 Å²	88	54.9 Å²	54.9	41%	0.411	28%	0.278	S	S	.	.	S	Bend	trans	-80	-31.9	171.9	-165	169.4	13.8	0	0	111.9	R487 R488 F490 F494	R487-Q550 WeakPolarHBondContact CG-O 3.45Å; R487-Q550 PolarHBondContact N-O 3.01Å; R487-Q550 VanDerWaalsContact O-CG 3.23Å; R487-Q550 WeakPolarHBondContact O-CG 3.35Å; R488-Q550 PolarHBondContact O-NE2 3.45Å; F490-Q550 HydrophobicContact CE1-CB 3.95Å; F490-Q550 HydrophobicContact CE2-CB 4.13Å; F490-Q550 HydrophobicContact CE2-CG 4.28Å; F490-Q550 HydrophobicContact CZ-CB 3.62Å; F490-Q550 HydrophobicContact CZ-CG 4.27Å; F494-Q550 WeakPolarHBondContact CZ-O 3.18Å
551	S	87.2	Confident	81.7	Confident	63 Å²	63	49.9 Å²	49.9	44%	0.441	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	140	176.1	-61.4	0	0	0	0	110.3	L485	L485-S551 CarbonylContact O-C 3.54Å; L485-S551 WeakPolarHBondContact O-CA 3.33Å
552	I	90.3	Very high	79.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	131	-175.8	-61.8	175.8	0	0	0	109.4	I484 L485 F494 I529 N530 F546 N549 L554	I484-I552 WeakPolarHBondContact CA-O 3.32Å; L485-I552 PolarHBondContact N-O 3.25Å; L485-I552 PolarHBondContact O-N 3.41Å; F494-I552 HydrophobicContact CD2-CD1 3.84Å; F494-I552 HydrophobicContact CE1-CD1 4.37Å; F494-I552 HydrophobicContact CE1-CG1 4.41Å; F494-I552 HydrophobicContact CE2-CD1 3.28Å; F494-I552 HydrophobicContact CE2-CG1 3.98Å; F494-I552 HydrophobicContact CZ-CB 4.4Å; F494-I552 HydrophobicContact CZ-CD1 3.58Å; F494-I552 HydrophobicContact CZ-CG1 3.73Å; I529-I552 HydrophobicContact CG2-CG2 3.48Å; I529-I552 VanDerWaalsContact CG2-CG2 3.48Å; N530-I552 WeakPolarHBondContact OD1-CA 3.13Å; F546-I552 HydrophobicContact CB-CD1 4.2Å; F546-I552 HydrophobicContact CD1-CD1 3.33Å; F546-I552 HydrophobicContact CE1-CD1 3.77Å; F546-I552 HydrophobicContact CE1-CG2 4.5Å; F546-I552 HydrophobicContact CG-CD1 3.81Å; N549-I552 HydrophobicContact CB-CD1 4.09Å; N549-I552 HydrophobicContact CB-CG1 3.63Å; I552-L554 HydrophobicContact CG2-CD2 3.57Å; I552-L554 HydrophobicContact CG2-CG 4.15Å
553	I	89.1	Confident	77	Confident	72 Å²	72	61 Å²	61	37%	0.369	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.2	173.6	-51.7	178.6	0	0	0	107.7	Y482 I484 I529 N530	Y482-I553 HydrophobicContact CD1-CG2 4.45Å; I484-I553 HydrophobicContact CG1-CG1 4.21Å; I529-I553 CarbonylContact C-O 3.58Å; I529-I553 WeakPolarHBondContact CA-O 3.3Å; N530-I553 PolarHBondContact N-O 3.05Å; N530-I553 PolarHBondContact OD1-N 3.18Å
554	L	90.5	Very high	74.3	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.8	179.5	-58.8	179.5	0	0	0	109.7	Y482 V483 L485 L496 I526 I529 F546 I552 F556	Y482-L554 CarbonylContact C-O 3.48Å; Y482-L554 VanDerWaalsContact CA-O 3.27Å; Y482-L554 WeakPolarHBondContact CA-O 3.26Å; V483-L554 PolarHBondContact N-O 3.36Å; V483-L554 PolarHBondContact O-N 3.41Å; L485-L554 HydrophobicContact CD1-CD1 3.54Å; L485-L554 HydrophobicContact CG-CD1 4.08Å; L496-L554 HydrophobicContact CD1-CD1 3.52Å; I526-L554 HydrophobicContact CG2-CD2 4.37Å; I529-L554 HydrophobicContact CB-CD2 4.44Å; I529-L554 HydrophobicContact CD1-CD2 4.34Å; I529-L554 HydrophobicContact CG1-CD2 3.66Å; I529-L554 HydrophobicContact CG2-CD2 4.32Å; F546-L554 HydrophobicContact CE1-CD2 4.35Å; F546-L554 HydrophobicContact CZ-CD2 3.84Å; I552-L554 HydrophobicContact CG2-CD2 3.57Å; I552-L554 HydrophobicContact CG2-CG 4.15Å; L554-F556 HydrophobicContact CB-CD2 4.24Å; L554-F556 HydrophobicContact CB-CE2 3.36Å; L554-F556 HydrophobicContact CB-CZ 3.6Å; L554-F556 HydrophobicContact CD1-CE2 4.18Å; L554-F556 HydrophobicContact CD1-CZ 3.67Å; L554-F556 HydrophobicContact CG-CE2 4.41Å; L554-F556 HydrophobicContact CG-CZ 4.27Å
555	T	88.8	Confident	71.4	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.012	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.1	172.9	-47.5	0	0	0	0	108.9	V480 R481 Y482 I526 I527 Q528	V480-T555 HydrophobicContact CG1-CG2 3.25Å; R481-T555 CarbonylContact O-C 3.56Å; R481-T555 WeakPolarHBondContact O-CA 3.4Å; Y482-T555 HydrophobicContact CD1-CG2 3.86Å; Y482-T555 VanDerWaalsContact CD1-OG1 3.25Å; Y482-T555 WeakPolarHBondContact CD1-OG1 3.25Å; Y482-T555 HydrophobicContact CE1-CG2 3.47Å; Y482-T555 VanDerWaalsContact CE1-CG2 3.47Å; Y482-T555 WeakPolarHBondContact CE1-OG1 3.27Å; I526-T555 WeakPolarHBondContact CA-O 3.28Å; I527-T555 HydrophobicContact CD1-CG2 3.81Å; I527-T555 HydrophobicContact CG1-CG2 3.81Å; I527-T555 VanDerWaalsContact CG1-O 3.26Å; I527-T555 WeakPolarHBondContact CG1-O 3.17Å; I527-T555 PolarHBondContact N-O 3.04Å; Q528-T555 PolarHBondContact N-O 2.96Å; Q528-T555 PolarHBondContact O-N 3.29Å; Q528-T555 PolarHBondContact OE1-OG1 3.21Å
556	F	87.6	Confident	70.5	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	151.2	-179.3	-58.6	-90.5	0	0	0	111.9	V480 R481 V483 I507 L520 D524 E525 I526 L554	V480-F556 VanDerWaalsContact CA-O 3.27Å; V480-F556 WeakPolarHBondContact CA-O 3.47Å; R481-F556 HydrophobicContact CG-CB 3.79Å; R481-F556 HydrophobicContact CG-CD2 4.33Å; R481-F556 HydrophobicContact CG-CG 4.49Å; R481-F556 PolarHBondContact N-O 3.49Å; R481-F556 PolarHBondContact O-N 3.48Å; V483-F556 HydrophobicContact CB-CD2 4.48Å; V483-F556 HydrophobicContact CB-CE2 3.81Å; V483-F556 HydrophobicContact CG2-CD2 3.94Å; V483-F556 HydrophobicContact CG2-CE2 3.63Å; I507-F556 HydrophobicContact CD1-CE1 3.54Å; I507-F556 HydrophobicContact CD1-CZ 4.15Å; I507-F556 HydrophobicContact CG1-CE1 4.35Å; L520-F556 HydrophobicContact CD2-CE1 3.94Å; L520-F556 HydrophobicContact CD2-CE2 3.58Å; L520-F556 HydrophobicContact CD2-CZ 3.22Å; D524-F556 HydrophobicContact CB-CD1 3.73Å; D524-F556 HydrophobicContact CB-CE1 4.24Å; D524-F556 HydrophobicContact CB-CG 4.5Å; E525-F556 CarbonylContact O-C 3.46Å; E525-F556 VanDerWaalsContact O-CA 3.25Å; E525-F556 WeakPolarHBondContact O-CA 3.29Å; I526-F556 HydrophobicContact CB-CD1 4.48Å; I526-F556 HydrophobicContact CB-CE1 4.37Å; I526-F556 HydrophobicContact CD1-CE1 4.13Å; I526-F556 HydrophobicContact CG1-CD1 3.73Å; I526-F556 HydrophobicContact CG1-CE1 3.24Å; I526-F556 HydrophobicContact CG1-CZ 4.01Å; L554-F556 HydrophobicContact CB-CD2 4.24Å; L554-F556 HydrophobicContact CB-CE2 3.36Å; L554-F556 HydrophobicContact CB-CZ 3.6Å; L554-F556 HydrophobicContact CD1-CE2 4.18Å; L554-F556 HydrophobicContact CD1-CZ 3.67Å; L554-F556 HydrophobicContact CG-CE2 4.41Å; L554-F556 HydrophobicContact CG-CZ 4.27Å
557	I	80.3	Confident	69.5	Low	31 Å²	31	70.2 Å²	70.2	16%	0.159	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.8	155	-65.3	171.3	0	0	0	107.3	P478 E525 I527 S559	P478-I557 HydrophobicContact CB-CG1 4.5Å; P478-I557 HydrophobicContact CB-CG2 3.68Å; E525-I557 PolarHBondContact O-N 3.45Å; I527-I557 HydrophobicContact CD1-CD1 4.33Å; I527-I557 HydrophobicContact CD1-CG1 3.97Å; I527-I557 HydrophobicContact CG1-CG1 4.4Å; I527-I557 HydrophobicContact CG2-CD1 3.5Å; I527-I557 HydrophobicContact CG2-CG1 3.79Å; I557-S559 PolarHBondContact O-N 3.41Å
558	D	67.8	Low	68.6	Low	33 Å²	33	67.8 Å²	67.8	18%	0.176	38%	0.378	C	S	.	.			trans	-61.7	126.4	177.7	-78.7	-37.2	0	0	0	111.1	T479 R481 S560	T479-D558 PolarHBondContact O-N 3.49Å; T479-D558 VanDerWaalsContact OG1-CB 3.29Å; T479-D558 WeakPolarHBondContact OG1-CB 3.38Å; T479-D558 PolarHBondContact OG1-OD2 3.33Å; R481-D558 WeakPolarHBondContact CD-OD1 3.28Å; R481-D558 IonicContact CZ-OD1 3.85Å; R481-D558 IonicContact NE-OD1 2.85Å; R481-D558 PolarHBondContact NE-OD1 3.21Å; D558-S560 PolarHBondContact O-N 3.4Å
559	S	61	Low	67.6	Low	37 Å²	37	67.4 Å²	67.4	26%	0.259	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-74	-4.5	172.4	58.9	0	0	0	0	113	D524 I557 N561 D562	D524-S559 PolarHBondContact OD1-OG 3.34Å; I557-S559 PolarHBondContact O-N 3.41Å; S559-N561 PolarHBondContact O-N 3.33Å; S559-N561 VanDerWaalsContact O-N 3.13Å; S559-D562 PolarHBondContact O-N 2.83Å
560	S	51.7	Low	66.4	Low	74 Å²	74	68.7 Å²	68.7	52%	0.517	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-67.2	-12.4	-176.1	57.5	0	0	0	0	114.5	D558 D562	D558-S560 PolarHBondContact O-N 3.4Å; S560-D562 VanDerWaalsContact C-N 3.34Å
561	N	44.1	Very low	65.1	Low	61 Å²	61	67.4 Å²	67.4	33%	0.326	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-83.3	-4.7	177.4	-73	-4	0	0	0	114.2	S559	S559-N561 PolarHBondContact O-N 3.33Å; S559-N561 VanDerWaalsContact O-N 3.13Å
562	D	43.6	Very low	63.5	Low	133 Å²	133	67.7 Å²	67.7	71%	0.711	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-90.9	5.8	175.8	-84.7	-19.8	0	0	0	113.8	S559 S560	S559-D562 PolarHBondContact O-N 2.83Å; S560-D562 VanDerWaalsContact C-N 3.34Å
563	M	36.3	Very low	61.4	Low	178 Å²	178	72.9 Å²	72.9	88%	0.877	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-115.1	10.7	-178.4	-69.7	-71.3	-98.9	0	0	115
564	S	30.4	Very low	59.1	Low	86 Å²	86	73 Å²	73	60%	0.601	41%	0.411	S	S	*	.			trans	-113.1	89.5	170.7	55.1	0	0	0	0	110.9
565	N	27.6	Very low	56.3	Low	241 Å²	241	79.6 Å²	79.6	100%	1.289	45%	0.448	S	S	*	.			trans	-129.4	0	160.2	-108.2	-10.6	0	0	0	108.3

Retrieved 565 of 565 residues in 62.9 ms (Link to these results)

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