G4VBE5_SCHMA Loading...

PDZ domain-containing protein

AlphaFold DB , UniProt , Accession G4VBE5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 491 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	36.3	Very low	42.8	Very low	236 Å²	236	169.2 Å²	169.2	100%	1.163	83%	0.828	S	S	*	*				0	123.7	0	-60.7	177.9	-173.2	0	0	107.2
2	N	39.8	Very low	42.7	Very low	169 Å²	169	169.8 Å²	169.8	90%	0.904	84%	0.836	S	S	*	*			trans	-177.9	126.1	159	-96.8	-12.4	0	0	0	107.5
3	E	39.2	Very low	42.8	Very low	192 Å²	192	172.2 Å²	172.2	90%	0.897	83%	0.833	S	S	*	*			trans	-85.9	116.5	-174.9	-62.1	173.5	146.3	0	0	110.2	N5	E3-N5 PolarHBondContact O-N 3.31Å
4	T	44.5	Very low	43.3	Very low	130 Å²	130	167.9 Å²	167.9	80%	0.798	83%	0.825	S	S	*	*			trans	-89	103.6	170	49.6	0	0	0	0	109.8	I6	T4-I6 PolarHBondContact O-N 3.18Å; T4-I6 VanDerWaalsContact O-N 3.1Å
5	N	42.4	Very low	42.9	Very low	151 Å²	151	173.8 Å²	173.8	81%	0.807	84%	0.835	S	S	*	*			trans	-51.5	111.6	174.8	-89	-70.1	0	0	0	112.1	E3 L7	E3-N5 PolarHBondContact O-N 3.31Å; N5-L7 PolarHBondContact O-N 3.4Å; N5-L7 VanDerWaalsContact O-N 3.16Å
6	I	46.2	Very low	42.8	Very low	131 Å²	131	173.3 Å²	173.3	67%	0.672	83%	0.833	S	S	*	*			trans	-77.9	98.7	168.9	-61.9	174.5	0	0	0	107.5	T4 Y8	T4-I6 PolarHBondContact O-N 3.18Å; T4-I6 VanDerWaalsContact O-N 3.1Å; I6-Y8 HydrophobicContact CG2-CD2 4.31Å; I6-Y8 HydrophobicContact CG2-CE2 4.14Å; I6-Y8 WeakPolarHBondContact O-CD2 3.32Å; I6-Y8 PolarHBondContact O-N 3.45Å
7	L	41.1	Very low	42.7	Very low	146 Å²	146	167.5 Å²	167.5	76%	0.764	83%	0.83	S	S	*	*			trans	-73.5	96.3	177.4	-149.6	86	0	0	0	109.7	N5 H9	N5-L7 PolarHBondContact O-N 3.4Å; N5-L7 VanDerWaalsContact O-N 3.16Å; L7-H9 PolarHBondContact O-N 3.31Å
8	Y	42.9	Very low	42.2	Very low	202 Å²	202	164.8 Å²	164.8	79%	0.792	82%	0.824	S	S	*	*			trans	-62.7	103.4	177.7	-79	-92.6	0	0	0	111.4	I6 R10	I6-Y8 HydrophobicContact CG2-CD2 4.31Å; I6-Y8 HydrophobicContact CG2-CE2 4.14Å; I6-Y8 WeakPolarHBondContact O-CD2 3.32Å; I6-Y8 PolarHBondContact O-N 3.45Å; Y8-R10 PolarHBondContact O-N 3.47Å
9	H	43.9	Very low	42.3	Very low	179 Å²	179	165.5 Å²	165.5	83%	0.829	82%	0.824	S	S	*	*			trans	-64.8	96	166.5	-86.6	-78.2	0	0	0	110.2	L7	L7-H9 PolarHBondContact O-N 3.31Å
10	R	45.3	Very low	41.9	Very low	229 Å²	229	165.9 Å²	165.9	86%	0.864	82%	0.823	S	S	*	*			trans	-59.9	127.3	166.7	-83.3	-178.1	169.1	171.1	-2.6	109.6	Y8 L12	Y8-R10 PolarHBondContact O-N 3.47Å; R10-L12 PolarHBondContact O-N 3.13Å
11	P	49.3	Very low	41.9	Very low	96 Å²	96	165.8 Å²	165.8	62%	0.623	82%	0.824	S	S	*	*			trans	-65.1	131.7	167.5	27.2	-32.4	0	0	0	109.6	Y13	P11-Y13 PolarHBondContact O-N 2.93Å
12	L	41.4	Very low	42	Very low	176 Å²	176	165.3 Å²	165.3	92%	0.921	81%	0.809	S	S	*	*			trans	-71.5	97.5	177.3	-72.4	166.6	0	0	0	109.9	R10	R10-L12 PolarHBondContact O-N 3.13Å
13	Y	44.2	Very low	42.1	Very low	202 Å²	202	166 Å²	166	79%	0.792	80%	0.804	S	S	*	*			trans	-60.4	132.1	171.7	-71.7	-84.9	0	0	0	111.1	P11 R15	P11-Y13 PolarHBondContact O-N 2.93Å; Y13-R15 PolarHBondContact O-N 2.96Å; Y13-R15 VanDerWaalsContact O-N 3.16Å
14	P	50.2	Low	42.1	Very low	112 Å²	112	165.6 Å²	165.6	73%	0.727	80%	0.802	S	S	*	*			trans	-62.8	116.1	168.4	-20.2	32.5	0	0	0	110.4	M16	P14-M16 PolarHBondContact O-N 2.83Å
15	R	36.8	Very low	41.8	Very low	256 Å²	256	167.9 Å²	167.9	97%	0.966	80%	0.802	S	S	*	*			trans	-63.2	97.5	167.8	-91.7	-178.8	164.6	176.1	-4.6	109.4	Y13	Y13-R15 PolarHBondContact O-N 2.96Å; Y13-R15 VanDerWaalsContact O-N 3.16Å
16	M	41.7	Very low	41.7	Very low	165 Å²	165	168.4 Å²	168.4	81%	0.813	80%	0.803	S	S	*	*			trans	-100.5	128.6	166.5	-78.1	-76.1	-74.9	0	0	109.1	P14 V18	P14-M16 PolarHBondContact O-N 2.83Å; M16-V18 PolarHBondContact O-N 3.25Å
17	G	40.1	Very low	41.2	Very low	75 Å²	75	171.4 Å²	171.4	77%	0.773	81%	0.811	S	S	*	*			trans	-64.1	127.6	179.7	0	0	0	0	0	111.5	Q19	G17-Q19 PolarHBondContact O-N 3.25Å
18	V	34.6	Very low	41.1	Very low	119 Å²	119	172.2 Å²	172.2	72%	0.721	82%	0.815	S	S	*	*			trans	-74.2	108.7	179.1	-177.7	0	0	0	0	109.5	M16	M16-V18 PolarHBondContact O-N 3.25Å
19	Q	43.3	Very low	40.7	Very low	179 Å²	179	165.4 Å²	165.4	84%	0.836	81%	0.806	S	S	*	*			trans	-108.1	114	157	-76	-169.8	-11	0	0	108.7	G17 I21	G17-Q19 PolarHBondContact O-N 3.25Å; Q19-I21 PolarHBondContact O-N 3.1Å; Q19-I21 VanDerWaalsContact O-N 3.11Å
20	H	35.3	Very low	40.5	Very low	172 Å²	172	163.3 Å²	163.3	80%	0.796	81%	0.806	S	S	*	*			trans	-67.2	105.1	178.4	-75	-105.8	0	0	0	110.6
21	I	41.8	Very low	40	Very low	165 Å²	165	161.3 Å²	161.3	85%	0.846	80%	0.804	S	S	*	*			trans	-85.2	111.8	162.7	-61.3	179.1	0	0	0	107.5	Q19 K23	Q19-I21 PolarHBondContact O-N 3.1Å; Q19-I21 VanDerWaalsContact O-N 3.11Å; I21-K23 PolarHBondContact O-N 2.95Å
22	R	37.9	Very low	39.3	Very low	225 Å²	225	162.9 Å²	162.9	85%	0.849	81%	0.806	S	S	*	*			trans	-64	126.9	179.6	-65.8	175.5	173.6	-179.2	-3.3	109.8	E24	R22-E24 PolarHBondContact O-N 2.95Å
23	K	42.8	Very low	39.1	Very low	184 Å²	184	162.6 Å²	162.6	80%	0.8	80%	0.8	S	S	*	*			trans	-75.3	112.1	159.1	-94.4	-175.6	173.9	-178.6	0	108	I21 F25	I21-K23 PolarHBondContact O-N 2.95Å; K23-F25 HydrophobicContact CB-CE2 4.3Å; K23-F25 PolarHBondContact O-N 3.16Å
24	E	38.7	Very low	38.5	Very low	184 Å²	184	158 Å²	158	86%	0.86	79%	0.793	S	S	*	*			trans	-72.6	112.4	166.1	-66.3	-168.5	153.4	0	0	109.2	R22	R22-E24 PolarHBondContact O-N 2.95Å
25	F	38.3	Very low	37.7	Very low	178 Å²	178	160.1 Å²	160.1	78%	0.781	79%	0.794	S	S	*	*			trans	-86.3	111.4	164.4	-79.6	-91.3	0	0	0	108.2	K23 K27	K23-F25 HydrophobicContact CB-CE2 4.3Å; K23-F25 PolarHBondContact O-N 3.16Å; F25-K27 PolarHBondContact O-N 2.95Å; F25-K27 VanDerWaalsContact O-N 3.08Å
26	I	39.3	Very low	37.6	Very low	161 Å²	161	154.7 Å²	154.7	83%	0.826	78%	0.784	S	S	*	*			trans	-69.5	107	172.2	-63.5	176.7	0	0	0	108.1
27	K	36.6	Very low	37.1	Very low	194 Å²	194	152.9 Å²	152.9	84%	0.843	79%	0.788	S	S	*	*			trans	-91.2	109.6	-179.3	-177.9	-178.5	-177	178.8	0	109.8	F25	F25-K27 PolarHBondContact O-N 2.95Å; F25-K27 VanDerWaalsContact O-N 3.08Å
28	L	38.7	Very low	36.6	Very low	164 Å²	164	155.3 Å²	155.3	86%	0.859	79%	0.787	S	S	*	*			trans	-92.7	118.7	161.9	-85.6	159.5	0	0	0	108.9
29	G	33.8	Very low	36.6	Very low	59 Å²	59	155.4 Å²	155.4	61%	0.608	79%	0.788	S	S	*	*			trans	-68.3	169.3	163.2	0	0	0	0	0	110.5
30	T	40.2	Very low	36.1	Very low	135 Å²	135	154.5 Å²	154.5	83%	0.828	79%	0.786	S	S	*	*			cis	-151.4	134.6	40.4	45.2	0	0	0	0	110.3
31	K	34.1	Very low	36	Very low	186 Å²	186	152.5 Å²	152.5	81%	0.809	78%	0.778	S	S	*	*				88.1	135.7	76	-142.2	-170.6	-171.5	-166.9	0	112.9
32	L	35.9	Very low	35.5	Very low	130 Å²	130	152.4 Å²	152.4	68%	0.681	77%	0.772	S	S	*	*			trans	71.5	112.6	-171.8	-70.3	93.5	0	0	0	114.2
33	E	36.3	Very low	35.3	Very low	169 Å²	169	148.7 Å²	148.7	79%	0.79	77%	0.769	S	S	*	*				71.7	136.1	71.4	-70.9	164.9	-156.5	0	0	111.9
34	T	31.7	Very low	34.9	Very low	105 Å²	105	151.2 Å²	151.2	64%	0.644	78%	0.775	S	S	*	*			cis	-179.5	146.7	-16.7	-87.9	0	0	0	0	102.8
35	E	34.6	Very low	34.9	Very low	158 Å²	158	147.7 Å²	147.7	74%	0.738	76%	0.762	S	S	*	*			trans	68.7	117.9	166.8	-76.3	161.7	-144.1	0	0	120.9
36	N	32.8	Very low	34.8	Very low	141 Å²	141	144.4 Å²	144.4	75%	0.754	76%	0.759	S	S	*	*				46	108.9	126.2	-51.6	-18.9	0	0	0	119.3
37	S	33.1	Very low	34.8	Very low	128 Å²	128	142.4 Å²	142.4	90%	0.895	75%	0.75	S	S	*	*				-173.5	146.2	112	-83.1	0	0	0	0	114
38	T	29.6	Very low	34.9	Very low	125 Å²	125	141.7 Å²	141.7	77%	0.767	75%	0.747	S	S	*	*			trans	-66.2	166.4	177.6	-51.5	0	0	0	0	112.9
39	T	33.2	Very low	34.9	Very low	121 Å²	121	144.7 Å²	144.7	74%	0.742	75%	0.748	S	S	*	*			trans	66	115.5	165.1	29.2	0	0	0	0	117.5
40	M	34.1	Very low	34.9	Very low	161 Å²	161	149.2 Å²	149.2	79%	0.793	76%	0.758	S	S	*	*				-172.4	137.3	98.4	-94.3	-60.4	-101.7	0	0	114.1
41	M	31.5	Very low	34.6	Very low	129 Å²	129	153.3 Å²	153.3	64%	0.635	76%	0.758	S	S	*	*			trans	-16.6	138.4	163.2	-86.7	162.8	29	0	0	121.9
42	K	31.8	Very low	34.6	Very low	163 Å²	163	153.7 Å²	153.7	71%	0.709	76%	0.76	S	S	*	*			trans	85.6	144.2	131.7	-72.2	176	-174	-179.5	0	120.7
43	N	34	Very low	34.5	Very low	148 Å²	148	153.1 Å²	153.1	79%	0.791	77%	0.766	S	S	*	*			trans	75.9	75.5	159.2	-55.6	-19.1	0	0	0	118.3
44	Y	34.2	Very low	34.4	Very low	237 Å²	237	154.8 Å²	154.8	93%	0.929	77%	0.774	S	S	*	*			trans	-128.4	123.3	147.7	-116	-94.6	0	0	0	111.2
45	N	39.7	Very low	34.6	Very low	109 Å²	109	154 Å²	154	58%	0.583	76%	0.764	S	S	*	*			trans	-101.7	115.5	-173.4	179.1	-15.2	0	0	0	109.4	N47	N45-N47 VanDerWaalsContact C-N 3.29Å; N45-N47 PolarHBondContact O-N 2.84Å; N45-N47 PolarHBondContact OD1-N 2.81Å
46	P	36.4	Very low	34.7	Very low	110 Å²	110	148.8 Å²	148.8	71%	0.714	75%	0.745	S	S	*	*	S	Bend	trans	-75.9	-9.8	-171.9	29.2	-34.5	0	0	0	114.7	K48	P46-K48 PolarHBondContact O-N 2.87Å
47	N	37.7	Very low	35.3	Very low	119 Å²	119	148.4 Å²	148.4	64%	0.636	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	32.6	-161.7	-72	-14.8	0	0	0	115.9	N45	N45-N47 VanDerWaalsContact C-N 3.29Å; N45-N47 PolarHBondContact O-N 2.84Å; N45-N47 PolarHBondContact OD1-N 2.81Å
48	K	39.5	Very low	35.8	Very low	178 Å²	178	146.8 Å²	146.8	77%	0.774	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.2	2.2	179.6	-78.6	-169.6	174.9	-177.9	0	117.8	P46	P46-K48 PolarHBondContact O-N 2.87Å
49	Y	38.3	Very low	36.6	Very low	227 Å²	227	146 Å²	146	89%	0.89	71%	0.714	S	S	*	*			trans	-104.9	11.8	173.2	-70.6	-76.1	0	0	0	114.8	R51	Y49-R51 VanDerWaalsContact C-N 3.26Å; Y49-R51 PolarHBondContact O-N 2.84Å
50	L	34.3	Very low	37.2	Very low	154 Å²	154	145.3 Å²	145.3	81%	0.806	70%	0.702	S	S	*	*			trans	-76.8	67.9	170.5	-72.9	168.6	0	0	0	111.8
51	R	32.8	Very low	37.7	Very low	222 Å²	222	143.1 Å²	143.1	84%	0.838	69%	0.69	S	S	*	*			trans	-152.8	120.5	167.1	-111.4	177.8	-175.1	-170.3	1.8	113.7	Y49	Y49-R51 VanDerWaalsContact C-N 3.26Å; Y49-R51 PolarHBondContact O-N 2.84Å
52	K	35.3	Very low	38.6	Very low	193 Å²	193	144.4 Å²	144.4	84%	0.839	69%	0.692	S	S	*	*	S	Bend	trans	73.2	73.5	155	-56.9	-177.3	175.5	-174.5	0	119.1
53	S	33	Very low	39.2	Very low	118 Å²	118	144 Å²	144	83%	0.825	69%	0.69	S	S	*	*			trans	-162.2	51.8	146.3	46.2	0	0	0	0	113.1	M55	S53-M55 PolarHBondContact O-N 2.8Å
54	H	33.8	Very low	39.8	Very low	204 Å²	204	141 Å²	141	94%	0.944	67%	0.674	S	S	*	*			trans	-71.4	74.3	163.4	-84.6	-79.7	0	0	0	110.1
55	M	35.9	Very low	40.4	Very low	90 Å²	90	134 Å²	134	44%	0.443	65%	0.653	S	S	.	*			trans	-80.5	123.8	158.7	-135.8	-179	79.6	0	0	106.8	S53 E59 Q60	S53-M55 PolarHBondContact O-N 2.8Å; M55-E59 HydrophobicContact CE-CB 4.33Å; M55-Q60 HydrophobicContact CE-CB 4.04Å
56	S	38.7	Very low	40.8	Very low	47 Å²	47	135.1 Å²	135.1	33%	0.329	66%	0.655	S	S	.	*			trans	-63.7	142.7	-177.2	62.3	0	0	0	0	110.5	T58 E59 Q60	S56-T58 PolarHBondContact O-N 2.76Å; S56-T58 VanDerWaalsContact O-N 3.09Å; S56-E59 PolarHBondContact O-N 2.94Å; S56-E59 WeakPolarHBondContact OG-CB 3.45Å; S56-E59 WeakPolarHBondContact OG-CG 3.49Å; S56-E59 PolarHBondContact OG-N 2.81Å; S56-E59 PolarHBondContact OG-OE2 2.67Å; S56-Q60 PolarHBondContact O-N 3.08Å
57	I	43.9	Very low	41	Very low	133 Å²	133	137.4 Å²	137.4	68%	0.682	65%	0.653	S	S	*	*	H	α-helix	trans	-53.1	-34.4	174.7	-66.4	170.8	0	0	0	110	E59 Q60 Q61	I57-E59 PolarHBondContact O-N 2.95Å; I57-Q60 PolarHBondContact O-N 2.85Å; I57-Q61 WeakPolarHBondContact O-CB 3.48Å; I57-Q61 WeakPolarHBondContact O-CG 3.26Å; I57-Q61 PolarHBondContact O-N 2.87Å
58	T	44.4	Very low	41.1	Very low	95 Å²	95	137.3 Å²	137.3	58%	0.583	65%	0.652	S	S	*	*	H	α-helix	trans	-62.2	-31	174.7	-21.8	0	0	0	0	114.6	S56 K62	S56-T58 PolarHBondContact O-N 2.76Å; S56-T58 VanDerWaalsContact O-N 3.09Å; T58-K62 WeakPolarHBondContact O-CG 3.34Å; T58-K62 PolarHBondContact O-N 3.19Å
59	E	46.4	Very low	41.2	Very low	107 Å²	107	133.4 Å²	133.4	50%	0.5	64%	0.636	S	S	.	*	H	α-helix	trans	-83.5	-38.1	175.4	-85.2	177.8	117.7	0	0	113	M55 S56 I57 Q61 K62 K63	M55-E59 HydrophobicContact CE-CB 4.33Å; S56-E59 PolarHBondContact O-N 2.94Å; S56-E59 WeakPolarHBondContact OG-CB 3.45Å; S56-E59 WeakPolarHBondContact OG-CG 3.49Å; S56-E59 PolarHBondContact OG-N 2.81Å; S56-E59 PolarHBondContact OG-OE2 2.67Å; I57-E59 PolarHBondContact O-N 2.95Å; E59-Q61 VanDerWaalsContact C-N 3.34Å; E59-K62 PolarHBondContact O-N 2.93Å; E59-K63 PolarHBondContact O-N 2.88Å
60	Q	44.9	Very low	41.2	Very low	108 Å²	108	129.9 Å²	129.9	51%	0.505	63%	0.628	S	S	.	*	H	α-helix	trans	-59.3	-49.1	173.4	-163.6	86.1	30.4	0	0	109.5	M55 S56 I57 K62 K63 D64	M55-Q60 HydrophobicContact CE-CB 4.04Å; S56-Q60 PolarHBondContact O-N 3.08Å; I57-Q60 PolarHBondContact O-N 2.85Å; Q60-K62 VanDerWaalsContact C-N 3.31Å; Q60-K62 PolarHBondContact O-N 2.95Å; Q60-K63 PolarHBondContact O-N 3.27Å; Q60-D64 PolarHBondContact O-N 2.82Å
61	Q	46.2	Very low	41.5	Very low	115 Å²	115	130.4 Å²	130.4	54%	0.537	62%	0.624	S	S	.	*	H	α-helix	trans	-61.3	-33.2	176	-74.3	-178.9	-14.1	0	0	113.4	I57 E59 N65	I57-Q61 WeakPolarHBondContact O-CB 3.48Å; I57-Q61 WeakPolarHBondContact O-CG 3.26Å; I57-Q61 PolarHBondContact O-N 2.87Å; E59-Q61 VanDerWaalsContact C-N 3.34Å; Q61-N65 VanDerWaalsContact O-CB 3.25Å; Q61-N65 WeakPolarHBondContact O-CB 3.49Å; Q61-N65 PolarHBondContact O-N 2.98Å; Q61-N65 PolarHBondContact O-ND2 3.09Å
62	K	48.7	Very low	41.9	Very low	155 Å²	155	123 Å²	123	67%	0.674	61%	0.606	S	S	*	*	H	α-helix	trans	-66.4	-38.7	175.8	-90.6	-179.9	174.8	177.7	0	112.8	T58 E59 Q60 H66	T58-K62 WeakPolarHBondContact O-CG 3.34Å; T58-K62 PolarHBondContact O-N 3.19Å; E59-K62 PolarHBondContact O-N 2.93Å; Q60-K62 VanDerWaalsContact C-N 3.31Å; Q60-K62 PolarHBondContact O-N 2.95Å; K62-H66 PolarHBondContact O-N 2.6Å
63	K	46	Very low	42	Very low	155 Å²	155	121.3 Å²	121.3	67%	0.674	60%	0.599	S	S	*	*	H	α-helix	trans	-67.9	-42.3	177.6	-95.7	176.5	175.2	170.1	0	112.5	E59 Q60 H66	E59-K63 PolarHBondContact O-N 2.88Å; Q60-K63 PolarHBondContact O-N 3.27Å; K63-H66 PolarHBondContact O-N 3.14Å
64	D	45.2	Very low	42.3	Very low	85 Å²	85	121.6 Å²	121.6	46%	0.455	60%	0.596	S	S	.	*	H	α-helix	trans	-74.9	-36.4	-178.5	-67	-34.4	0	0	0	112.4	Q60 H66 K67 L68	Q60-D64 PolarHBondContact O-N 2.82Å; D64-H66 VanDerWaalsContact C-N 3.32Å; D64-H66 PolarHBondContact O-N 2.66Å; D64-K67 PolarHBondContact O-N 3.13Å; D64-L68 PolarHBondContact O-N 3.22Å; D64-L68 VanDerWaalsContact O-N 3.09Å
65	N	48.1	Very low	42.7	Very low	91 Å²	91	119.1 Å²	119.1	49%	0.487	59%	0.589	S	S	.	*	H	α-helix	trans	-63.1	-34.7	173.7	-82.6	-56	0	0	0	113	Q61 K67 L68 Q69	Q61-N65 VanDerWaalsContact O-CB 3.25Å; Q61-N65 WeakPolarHBondContact O-CB 3.49Å; Q61-N65 PolarHBondContact O-N 2.98Å; Q61-N65 PolarHBondContact O-ND2 3.09Å; N65-K67 VanDerWaalsContact C-N 3.3Å; N65-K67 PolarHBondContact O-N 2.86Å; N65-L68 PolarHBondContact O-N 2.88Å; N65-Q69 WeakPolarHBondContact O-CB 3.46Å; N65-Q69 WeakPolarHBondContact O-CG 3.33Å; N65-Q69 PolarHBondContact O-N 3.23Å
66	H	47.1	Very low	42.6	Very low	132 Å²	132	125.9 Å²	125.9	61%	0.611	61%	0.609	S	S	*	*	H	α-helix	trans	-66.6	-33.8	176.7	-132.3	-79	0	0	0	112.2	K62 K63 D64 E70	K62-H66 PolarHBondContact O-N 2.6Å; K63-H66 PolarHBondContact O-N 3.14Å; D64-H66 VanDerWaalsContact C-N 3.32Å; D64-H66 PolarHBondContact O-N 2.66Å; H66-E70 PolarHBondContact O-N 3.26Å
67	K	41.5	Very low	42.4	Very low	158 Å²	158	129.2 Å²	129.2	69%	0.687	63%	0.633	S	S	*	*	H	α-helix	trans	-78.5	-23.7	179.1	-140.1	172.2	-171.9	177	0	113.3	D64 N65	D64-K67 PolarHBondContact O-N 3.13Å; N65-K67 VanDerWaalsContact C-N 3.3Å; N65-K67 PolarHBondContact O-N 2.86Å
68	L	40	Very low	41.9	Very low	116 Å²	116	126.3 Å²	126.3	61%	0.607	64%	0.636	S	S	*	*	H	α-helix	trans	-87.3	-34.7	172.8	-82.8	160.9	0	0	0	113	D64 N65 E70 K71 S72	D64-L68 PolarHBondContact O-N 3.22Å; D64-L68 VanDerWaalsContact O-N 3.09Å; N65-L68 PolarHBondContact O-N 2.88Å; L68-E70 VanDerWaalsContact C-N 3.28Å; L68-E70 PolarHBondContact O-N 3.08Å; L68-K71 PolarHBondContact O-N 2.62Å; L68-S72 PolarHBondContact O-N 2.97Å; L68-S72 VanDerWaalsContact O-N 3.14Å; L68-S72 PolarHBondContact O-OG 3.06Å; L68-S72 VanDerWaalsContact O-OG 3.12Å
69	Q	41.4	Very low	41.5	Very low	96 Å²	96	130.1 Å²	130.1	45%	0.449	65%	0.647	S	S	.	*	H	α-helix	trans	-62.9	-32.6	174.3	-83.5	-162.3	10.1	0	0	113.3	N65 K71 S72 K73	N65-Q69 WeakPolarHBondContact O-CB 3.46Å; N65-Q69 WeakPolarHBondContact O-CG 3.33Å; N65-Q69 PolarHBondContact O-N 3.23Å; Q69-K71 VanDerWaalsContact C-N 3.31Å; Q69-S72 WeakPolarHBondContact CA-OG 3.39Å; Q69-S72 PolarHBondContact O-N 3.42Å; Q69-S72 PolarHBondContact O-OG 3.08Å; Q69-K73 WeakPolarHBondContact O-CD 3.27Å; Q69-K73 VanDerWaalsContact O-CG 3.28Å; Q69-K73 WeakPolarHBondContact O-CG 3.49Å; Q69-K73 PolarHBondContact O-N 3.29Å
70	E	37.6	Very low	41.4	Very low	154 Å²	154	133.1 Å²	133.1	72%	0.72	66%	0.663	S	S	*	*	H	α-helix	trans	-72.3	-26.7	179.6	-150.6	163.4	-135	0	0	112.4	H66 L68	H66-E70 PolarHBondContact O-N 3.26Å; L68-E70 VanDerWaalsContact C-N 3.28Å; L68-E70 PolarHBondContact O-N 3.08Å
71	K	40.5	Very low	41	Very low	165 Å²	165	136.3 Å²	136.3	72%	0.717	68%	0.682	S	S	*	*	H	α-helix	trans	-86.2	-20.2	173.9	-69.9	-174.6	176.8	-177.1	0	114.4	L68 Q69	L68-K71 PolarHBondContact O-N 2.62Å; Q69-K71 VanDerWaalsContact C-N 3.31Å
72	S	41	Very low	40.4	Very low	67 Å²	67	137 Å²	137	47%	0.469	69%	0.689	S	S	.	*	H	α-helix	trans	-96.6	-16.9	-176.8	60.7	0	0	0	0	114.6	L68 Q69 T74 L75	L68-S72 PolarHBondContact O-N 2.97Å; L68-S72 VanDerWaalsContact O-N 3.14Å; L68-S72 PolarHBondContact O-OG 3.06Å; L68-S72 VanDerWaalsContact O-OG 3.12Å; Q69-S72 WeakPolarHBondContact CA-OG 3.39Å; Q69-S72 PolarHBondContact O-N 3.42Å; Q69-S72 PolarHBondContact O-OG 3.08Å; S72-T74 PolarHBondContact O-N 3.48Å; S72-L75 PolarHBondContact O-N 3.08Å; S72-L75 VanDerWaalsContact O-N 3.17Å
73	K	38.1	Very low	40	Very low	157 Å²	157	136.3 Å²	136.3	68%	0.683	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-6.8	178.5	-82	169.2	-175.9	172.7	0	115.8	Q69	Q69-K73 WeakPolarHBondContact O-CD 3.27Å; Q69-K73 VanDerWaalsContact O-CG 3.28Å; Q69-K73 WeakPolarHBondContact O-CG 3.49Å; Q69-K73 PolarHBondContact O-N 3.29Å
74	T	39.5	Very low	39.4	Very low	123 Å²	123	135.4 Å²	135.4	76%	0.755	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-9.7	174.9	45.1	0	0	0	0	114.7	S72 R76	S72-T74 PolarHBondContact O-N 3.48Å; T74-R76 PolarHBondContact O-N 3.14Å
75	L	41	Very low	38.9	Very low	153 Å²	153	139.3 Å²	139.3	80%	0.801	72%	0.719	S	S	*	*			trans	-93.3	65.6	-176.3	-82.1	160.5	0	0	0	112.6	S72 S77	S72-L75 PolarHBondContact O-N 3.08Å; S72-L75 VanDerWaalsContact O-N 3.17Å; L75-S77 PolarHBondContact O-N 2.77Å
76	R	34.9	Very low	38.3	Very low	232 Å²	232	142.3 Å²	142.3	88%	0.875	73%	0.733	S	S	*	*			trans	-82.8	109.3	175.7	-152.8	177.9	-168.1	-173.1	3.8	110.7	T74	T74-R76 PolarHBondContact O-N 3.14Å
77	S	35	Very low	38	Very low	117 Å²	117	141.3 Å²	141.3	82%	0.818	74%	0.738	S	S	*	*	S	Bend	trans	62.5	120.9	168	70.4	0	0	0	0	119.3	L75	L75-S77 PolarHBondContact O-N 2.77Å
78	G	33.2	Very low	38.2	Very low	72 Å²	72	139 Å²	139	74%	0.742	74%	0.737	S	S	*	*			trans	94.2	119.5	141.7	0	0	0	0	0	117.8
79	Q	35.7	Very low	38.6	Very low	174 Å²	174	140.3 Å²	140.3	81%	0.813	75%	0.75	S	S	*	*			trans	65.8	101.3	158.5	-57.3	176.2	-14.4	0	0	116.9
80	M	43	Very low	38.7	Very low	170 Å²	170	145.9 Å²	145.9	84%	0.837	77%	0.767	S	S	*	*			trans	-91	118.9	150.7	-76.9	-170.7	69.7	0	0	109.3	L82	M80-L82 HydrophobicContact CE-CD1 4.23Å
81	L	37.4	Very low	39.1	Very low	175 Å²	175	146.8 Å²	146.8	92%	0.916	77%	0.771	S	S	*	*			trans	-93.5	119.3	169	-165.7	83.8	0	0	0	108.1
82	L	34.2	Very low	39.4	Very low	131 Å²	131	144.7 Å²	144.7	69%	0.686	77%	0.774	S	S	*	*			trans	-123.1	138.2	172.6	-75.3	169.6	0	0	0	110.1	M80	M80-L82 HydrophobicContact CE-CD1 4.23Å
83	N	39	Very low	39.7	Very low	139 Å²	139	149.2 Å²	149.2	74%	0.743	79%	0.791	S	S	*	*	S	Bend	trans	80.1	83.3	174.3	-53.5	-9.8	0	0	0	116.8
84	T	34.5	Very low	40.2	Very low	137 Å²	137	150.9 Å²	150.9	84%	0.84	80%	0.799	S	S	*	*			trans	45.2	91.8	132.9	57	0	0	0	0	118.6
85	I	35.4	Very low	40.5	Very low	166 Å²	166	148.4 Å²	148.4	85%	0.851	79%	0.791	S	S	*	*			trans	-110.1	113.2	147.7	-59.7	176.6	0	0	0	106.8
86	M	35.5	Very low	40.7	Very low	155 Å²	155	150.5 Å²	150.5	76%	0.764	79%	0.794	S	S	*	*			trans	-70.3	128.8	177.1	-150.3	-174.5	83.3	0	0	109	T88	M86-T88 PolarHBondContact O-N 3.47Å
87	P	39.6	Very low	40.9	Very low	111 Å²	111	147.2 Å²	147.2	72%	0.721	79%	0.788	S	S	*	*			trans	-69.7	105.4	-178.9	27.5	-33.4	0	0	0	109.6	T89	P87-T89 PolarHBondContact O-N 2.7Å
88	T	46.8	Very low	41	Very low	108 Å²	108	148 Å²	148	66%	0.663	79%	0.788	S	S	*	*			trans	-72.8	122.9	174.7	54.9	0	0	0	0	109.5	M86 R90	M86-T88 PolarHBondContact O-N 3.47Å; T88-R90 PolarHBondContact O-N 2.84Å
89	T	47.8	Very low	41.4	Very low	144 Å²	144	151.8 Å²	151.8	88%	0.883	79%	0.79	S	S	*	*			trans	-71.8	9.6	178	50.7	0	0	0	0	113.8	P87 Q91	P87-T89 PolarHBondContact O-N 2.7Å; T89-Q91 PolarHBondContact O-N 3.49Å
90	R	43.8	Very low	41.5	Very low	214 Å²	214	154.8 Å²	154.8	81%	0.808	79%	0.794	S	S	*	*			trans	-73.9	115.3	178.2	-73.4	-176.3	174.8	-99.5	0.4	109.2	T88	T88-R90 PolarHBondContact O-N 2.84Å
91	Q	46.3	Very low	41.2	Very low	172 Å²	172	153.1 Å²	153.1	80%	0.804	79%	0.789	S	S	*	*			trans	-58	141.8	169.9	-66.7	-158.8	-0.9	0	0	110.3	T89 I93	T89-Q91 PolarHBondContact O-N 3.49Å; Q91-I93 PolarHBondContact O-N 2.89Å; Q91-I93 VanDerWaalsContact O-N 3.09Å
92	P	45.1	Very low	41.2	Very low	121 Å²	121	155.7 Å²	155.7	79%	0.786	79%	0.786	S	S	*	*			trans	-63.5	115	175.8	25.9	-33.3	0	0	0	109.4	K94	P92-K94 PolarHBondContact O-N 3.28Å
93	I	47.8	Very low	41.3	Very low	162 Å²	162	156 Å²	156	83%	0.831	79%	0.789	S	S	*	*			trans	-64.4	109.7	175.3	-59.3	174.6	0	0	0	107.5	Q91 A95	Q91-I93 PolarHBondContact O-N 2.89Å; Q91-I93 VanDerWaalsContact O-N 3.09Å; I93-A95 PolarHBondContact O-N 3.39Å; I93-A95 VanDerWaalsContact O-N 3.1Å
94	K	48.1	Very low	41	Very low	193 Å²	193	157.8 Å²	157.8	84%	0.839	80%	0.796	S	S	*	*			trans	-68.9	105	170.6	-74.9	-176.9	177.1	178.5	0	108.9	P92 K96	P92-K94 PolarHBondContact O-N 3.28Å; K94-K96 PolarHBondContact O-N 2.96Å
95	A	46.8	Very low	41	Very low	71 Å²	71	154.8 Å²	154.8	59%	0.587	78%	0.781	S	S	*	*			trans	-61.3	116.7	164.9	0	0	0	0	0	109.1	I93 H97	I93-A95 PolarHBondContact O-N 3.39Å; I93-A95 VanDerWaalsContact O-N 3.1Å; A95-H97 PolarHBondContact O-N 3.42Å
96	K	44.7	Very low	40.8	Very low	197 Å²	197	155.7 Å²	155.7	86%	0.857	78%	0.781	S	S	*	*			trans	-76.2	102.2	166.7	-80.4	-173.7	175.3	-178.4	0	108.1	K94 T98	K94-K96 PolarHBondContact O-N 2.96Å; K96-T98 PolarHBondContact O-N 3.43Å
97	H	39	Very low	40.7	Very low	163 Å²	163	156.8 Å²	156.8	76%	0.755	79%	0.789	S	S	*	*			trans	-84.6	102.3	163.8	-70.8	-87.8	0	0	0	109.1	A95 L99	A95-H97 PolarHBondContact O-N 3.42Å; H97-L99 PolarHBondContact O-N 2.86Å
98	T	38.4	Very low	40.5	Very low	134 Å²	134	159.2 Å²	159.2	82%	0.822	79%	0.791	S	S	*	*			trans	-77.3	88.9	163.6	38.5	0	0	0	0	109.1	K96 R100	K96-T98 PolarHBondContact O-N 3.43Å; T98-R100 PolarHBondContact O-N 2.94Å
99	L	41.8	Very low	40	Very low	151 Å²	151	161.4 Å²	161.4	79%	0.791	80%	0.797	S	S	*	*			trans	-71.5	106.3	164.2	-76.2	168.9	0	0	0	108.4	H97 N101	H97-L99 PolarHBondContact O-N 2.86Å; L99-N101 PolarHBondContact O-N 2.97Å
100	R	37.3	Very low	39.4	Very low	236 Å²	236	161.3 Å²	161.3	89%	0.891	79%	0.791	S	S	*	*			trans	-86.9	81.2	176	-166.2	-177.8	-167.2	-176.5	4.5	108.7	T98 R102	T98-R100 PolarHBondContact O-N 2.94Å; R100-R102 PolarHBondContact O-N 2.83Å
101	N	36.7	Very low	38.9	Very low	136 Å²	136	157.7 Å²	157.7	73%	0.727	79%	0.793	S	S	*	*			trans	-60.9	110.7	168.7	-76.3	5.3	0	0	0	108.3	L99 N103	L99-N101 PolarHBondContact O-N 2.97Å; N101-N103 PolarHBondContact O-N 2.86Å
102	R	37.7	Very low	38.4	Very low	228 Å²	228	155 Å²	155	86%	0.86	79%	0.793	S	S	*	*			trans	-75.7	116.4	158.3	-108.6	178.8	171.8	152.8	-5.2	106	R100 I104	R100-R102 PolarHBondContact O-N 2.83Å; R102-I104 PolarHBondContact O-N 3.3Å
103	N	35.6	Very low	37.9	Very low	138 Å²	138	158 Å²	158	74%	0.738	80%	0.799	S	S	*	*			trans	-60.5	124.2	168.8	-73.7	-9.7	0	0	0	108	N101	N101-N103 PolarHBondContact O-N 2.86Å
104	I	33.1	Very low	37.3	Very low	177 Å²	177	159.1 Å²	159.1	91%	0.908	80%	0.801	S	S	*	*			trans	-94.5	94.5	163	-59.4	173.4	0	0	0	104.8	R102	R102-I104 PolarHBondContact O-N 3.3Å
105	S	33.9	Very low	36.6	Very low	74 Å²	74	156.5 Å²	156.5	52%	0.517	80%	0.796	S	S	.	*			trans	-154.9	135.5	174.8	52.9	0	0	0	0	107.5
106	E	31.1	Very low	36.1	Very low	184 Å²	184	160.3 Å²	160.3	86%	0.86	81%	0.807	S	S	*	*			trans	65.7	82.5	170.9	-63.1	155	-155.1	0	0	115.3
107	L	33.9	Very low	35.8	Very low	178 Å²	178	158.3 Å²	158.3	93%	0.932	80%	0.8	S	S	*	*			trans	-122.7	112.9	137.3	-162.6	75.3	0	0	0	107.4
108	E	35.7	Very low	35.6	Very low	163 Å²	163	157.3 Å²	157.3	76%	0.762	80%	0.8	S	S	*	*			trans	-69.6	145.3	-174.4	-71.4	175.8	121	0	0	112.4	N110	E108-N110 PolarHBondContact O-N 3.33Å
109	I	34.8	Very low	35.4	Very low	153 Å²	153	158.4 Å²	158.4	79%	0.785	80%	0.801	S	S	*	*			trans	-73.8	107.7	169.5	-61.9	161.4	0	0	0	107.4
110	N	36.1	Very low	35	Very low	142 Å²	142	155.9 Å²	155.9	76%	0.759	79%	0.794	S	S	*	*			trans	-126	95.2	166.3	-84.4	-44.3	0	0	0	109.8	E108	E108-N110 PolarHBondContact O-N 3.33Å
111	T	33	Very low	34.5	Very low	138 Å²	138	152 Å²	152	85%	0.847	79%	0.792	S	S	*	*			trans	-83.3	115.4	167.7	46.7	0	0	0	0	109.9
112	S	36.2	Very low	34.3	Very low	116 Å²	116	150.7 Å²	150.7	81%	0.811	79%	0.793	S	S	*	*			trans	-134.3	128.4	156.7	61.6	0	0	0	0	109.5
113	M	34.2	Very low	34	Very low	185 Å²	185	145 Å²	145	91%	0.911	79%	0.788	S	S	*	*			trans	-79.5	144.2	179.1	-48.2	-165.7	-52.7	0	0	110.1
114	E	34.9	Very low	33.9	Very low	185 Å²	185	145.3 Å²	145.3	86%	0.864	79%	0.789	S	S	*	*			trans	-156.5	161.6	130.8	-122.9	174.3	162.5	0	0	111.6
115	N	34.8	Very low	34.2	Very low	138 Å²	138	143.8 Å²	143.8	74%	0.738	78%	0.782	S	S	*	*			trans	-67.6	149.5	-173.1	-54.9	-61.6	0	0	0	111.7
116	D	36.2	Very low	34.2	Very low	151 Å²	151	146.7 Å²	146.7	81%	0.807	79%	0.792	S	S	*	*				-166	172.7	98.4	-106	-25.3	0	0	0	114.5
117	Q	37.1	Very low	34.3	Very low	154 Å²	154	145.6 Å²	145.6	72%	0.72	79%	0.791	S	S	*	*			trans	-91	176.3	-152.6	-57	170.8	-2.4	0	0	114.7
118	N	35.2	Very low	34.6	Very low	142 Å²	142	143.2 Å²	143.2	76%	0.759	78%	0.784	S	S	*	*			trans	85.3	92.4	168.3	-48.6	-56.1	0	0	0	114.6
119	L	34.3	Very low	34.8	Very low	158 Å²	158	143 Å²	143	83%	0.827	79%	0.788	S	S	*	*				79.1	106.7	61.7	-163.3	78.7	0	0	0	113.7
120	C	33.1	Very low	34.7	Very low	97 Å²	97	140.4 Å²	140.4	66%	0.655	78%	0.783	S	S	*	*			trans	71.7	103.5	156.9	-71.9	0	0	0	0	121.5
121	N	27.4	Very low	34.4	Very low	156 Å²	156	145.5 Å²	145.5	83%	0.834	79%	0.791	S	S	*	*				79	67.3	124.7	-57.2	-1.8	0	0	0	118.8
122	S	32.9	Very low	34.5	Very low	107 Å²	107	148.9 Å²	148.9	75%	0.748	79%	0.789	S	S	*	*			trans	-148.2	122.5	146.2	62.8	0	0	0	0	112.9
123	S	31.5	Very low	34.3	Very low	108 Å²	108	149 Å²	149	76%	0.755	78%	0.784	S	S	*	*			trans	55	131.5	150.3	67.4	0	0	0	0	121.9
124	N	32	Very low	34.3	Very low	145 Å²	145	145.4 Å²	145.4	78%	0.775	77%	0.773	S	S	*	*			trans	87.9	150.3	137.4	-123.7	-1	0	0	0	119.6
125	I	39.1	Very low	34.2	Very low	146 Å²	146	142.4 Å²	142.4	75%	0.749	76%	0.763	S	S	*	*			trans	86.7	81	167.9	-52	157.8	0	0	0	116.1
126	D	35.4	Very low	34.2	Very low	135 Å²	135	145.6 Å²	145.6	72%	0.722	77%	0.771	S	S	*	*				12.4	140	119	-41.1	-39.9	0	0	0	117.3
127	D	32.6	Very low	34	Very low	160 Å²	160	145.1 Å²	145.1	86%	0.856	77%	0.768	S	S	*	*			cis	-140.5	121.6	27.2	-101.3	-47.5	0	0	0	111.1
128	V	41	Very low	33.8	Very low	129 Å²	129	141.9 Å²	141.9	78%	0.782	77%	0.768	S	S	*	*	S	Bend	trans	-139.6	106.7	167.3	-178.8	0	0	0	0	111	C130	V128-C130 PolarHBondContact O-N 2.89Å
129	N	38	Very low	33.9	Very low	159 Å²	159	143 Å²	143	85%	0.85	77%	0.772	S	S	*	*	S	Bend	trans	36	67.1	156.1	-69.6	-30.3	0	0	0	118.1
130	C	33.8	Very low	33.8	Very low	98 Å²	98	141.4 Å²	141.4	66%	0.662	76%	0.76	S	S	*	*			trans	-152.4	104.8	160.7	-102.8	0	0	0	0	114.9	V128	V128-C130 PolarHBondContact O-N 2.89Å
131	W	30	Very low	33.8	Very low	248 Å²	248	142.8 Å²	142.8	94%	0.939	77%	0.771	S	S	*	*			trans	-119.9	70.3	143.1	-77.7	99.2	0	0	0	108.7	T134	W131-T134 HydrophobicContact CZ3-CG2 4.22Å
132	R	35.8	Very low	34.2	Very low	210 Å²	210	143.2 Å²	143.2	79%	0.792	77%	0.765	S	S	*	*			trans	-91.8	137.9	157.1	-69.4	-169.9	-173	-165.7	4.5	108.3
133	T	31.8	Very low	34.2	Very low	117 Å²	117	147.8 Å²	147.8	72%	0.718	77%	0.772	S	S	*	*			trans	45	88.3	152.4	54.2	0	0	0	0	117.4	N135	T133-N135 VanDerWaalsContact C-N 3.32Å; T133-N135 PolarHBondContact O-N 3Å; T133-N135 VanDerWaalsContact O-N 3.11Å
134	T	33.3	Very low	34.1	Very low	111 Å²	111	147.9 Å²	147.9	68%	0.681	77%	0.767	S	S	*	*			trans	-75.3	88.9	152	49.8	0	0	0	0	109.1	W131 F136	W131-T134 HydrophobicContact CZ3-CG2 4.22Å; T134-F136 PolarHBondContact O-N 2.99Å
135	N	33.3	Very low	34.2	Very low	121 Å²	121	147.4 Å²	147.4	65%	0.647	77%	0.77	S	S	*	*			trans	-66.8	115.6	157.5	-68.7	-14	0	0	0	107.2	T133 D137	T133-N135 VanDerWaalsContact C-N 3.32Å; T133-N135 PolarHBondContact O-N 3Å; T133-N135 VanDerWaalsContact O-N 3.11Å; N135-D137 PolarHBondContact O-N 2.76Å
136	F	34.8	Very low	34	Very low	206 Å²	206	148.1 Å²	148.1	90%	0.904	77%	0.769	S	S	*	*			trans	-85.8	96.1	155.7	-102.9	-82	0	0	0	106.7	T134	T134-F136 PolarHBondContact O-N 2.99Å
137	D	32.8	Very low	34.1	Very low	141 Å²	141	146.8 Å²	146.8	75%	0.754	77%	0.77	S	S	*	*			trans	-65.6	156.1	179.7	-94.7	-50.1	0	0	0	112.7	N135	N135-D137 PolarHBondContact O-N 2.76Å
138	A	32.2	Very low	34.2	Very low	86 Å²	86	146.9 Å²	146.9	71%	0.711	77%	0.771	S	S	*	*			trans	-65.8	143.1	-172.3	0	0	0	0	0	114.6
139	I	37.4	Very low	33.8	Very low	166 Å²	166	145.6 Å²	145.6	85%	0.851	77%	0.768	S	S	*	*			trans	-130.2	87.3	130.7	-56.1	-177.2	0	0	0	105.3
140	E	31.7	Very low	33.6	Very low	124 Å²	124	143.7 Å²	143.7	58%	0.579	76%	0.762	S	S	*	*				58.6	104.3	99.4	-171.3	168.2	-146.4	0	0	114.5	K142	E140-K142 WeakPolarHBondContact OE1-CE 3.47Å; E140-K142 IonicContact OE1-NZ 3.64Å; E140-K142 PolarHBondContact OE1-NZ 2.98Å
141	S	34.4	Very low	33.6	Very low	125 Å²	125	145.3 Å²	145.3	87%	0.874	77%	0.768	S	S	*	*			trans	-160.9	103	153.7	-82.8	0	0	0	0	109.7
142	K	34.6	Very low	33.6	Very low	165 Å²	165	138.5 Å²	138.5	72%	0.717	76%	0.759	S	S	*	*			trans	-82.6	129.8	-170	-67.9	153.1	172.7	149.6	0	113.3	E140	E140-K142 WeakPolarHBondContact OE1-CE 3.47Å; E140-K142 IonicContact OE1-NZ 3.64Å; E140-K142 PolarHBondContact OE1-NZ 2.98Å
143	K	33.7	Very low	33.4	Very low	204 Å²	204	133.9 Å²	133.9	89%	0.887	76%	0.759	S	S	*	*			trans	179.7	102	148.8	-109.8	177.2	173.9	-179.9	0	107.5
144	V	28.7	Very low	33.4	Very low	109 Å²	109	134.8 Å²	134.8	66%	0.661	76%	0.764	S	S	*	*				58.9	101.5	53	-170	0	0	0	0	113.6
145	V	34.9	Very low	33.4	Very low	136 Å²	136	135.8 Å²	135.8	82%	0.824	77%	0.771	S	S	*	*			trans	175.3	97	139.7	168.3	0	0	0	0	104.9
146	H	35	Very low	33.2	Very low	161 Å²	161	138.2 Å²	138.2	75%	0.745	78%	0.784	S	S	*	*				78.5	100.8	81	-78	41.4	0	0	0	117
147	S	36.4	Very low	33.1	Very low	106 Å²	106	136.3 Å²	136.3	74%	0.741	78%	0.782	S	S	*	*			trans	175.4	112.6	138.6	48.4	0	0	0	0	109.3
148	N	34.3	Very low	32.9	Very low	162 Å²	162	134.9 Å²	134.9	87%	0.866	78%	0.781	S	S	*	*				62.5	134.2	90.1	-57.3	-0.6	0	0	0	112.5
149	S	33	Very low	32.9	Very low	102 Å²	102	136.3 Å²	136.3	71%	0.713	78%	0.783	S	S	*	*			cis	-164.6	134.3	13.1	167.4	0	0	0	0	107.7
150	V	34.3	Very low	32.7	Very low	120 Å²	120	133.5 Å²	133.5	73%	0.727	78%	0.778	S	S	*	*				44.7	123.6	99	-166.9	0	0	0	0	112.8
151	T	33.7	Very low	32.5	Very low	131 Å²	131	135.8 Å²	135.8	80%	0.804	79%	0.788	S	S	*	*			cis	-155.3	170.9	34.2	-10.9	0	0	0	0	115.2
152	S	30.5	Very low	32.3	Very low	106 Å²	106	135.4 Å²	135.4	74%	0.741	78%	0.781	S	S	*	*			trans	-68.9	155.3	177.3	53.2	0	0	0	0	118.8
153	S	31.9	Very low	32.1	Very low	113 Å²	113	134 Å²	134	79%	0.79	78%	0.78	S	S	*	*				-169.4	126.6	112.3	62	0	0	0	0	114.7
154	T	30.5	Very low	32.1	Very low	135 Å²	135	131.2 Å²	131.2	83%	0.828	77%	0.768	S	S	*	*			trans	-19.6	129.7	165.6	50.2	0	0	0	0	121.3
155	T	33.3	Very low	32.2	Very low	133 Å²	133	133.2 Å²	133.2	82%	0.816	77%	0.773	S	S	*	*			trans	-152.5	148	134	34.4	0	0	0	0	109.5
156	D	28.9	Very low	32.1	Very low	172 Å²	172	134 Å²	134	92%	0.92	77%	0.766	S	S	*	*			trans	-63.4	128.5	-165	-62.7	-71.3	0	0	0	115.4
157	L	33.4	Very low	32.4	Very low	166 Å²	166	131.8 Å²	131.8	87%	0.869	77%	0.765	S	S	*	*			trans	-122.3	110	172.1	-90.4	162	0	0	0	110.3
158	C	28.3	Very low	32.4	Very low	110 Å²	110	130.9 Å²	130.9	74%	0.743	75%	0.752	S	S	*	*			trans	-58.3	128.9	174.9	-179.4	0	0	0	0	110.9	C160	C158-C160 PolarHBondContact O-N 3.41Å
159	P	32.4	Very low	32.9	Very low	116 Å²	116	128.7 Å²	128.7	75%	0.753	75%	0.747	S	S	*	*			trans	-76.8	91.6	-179.3	30.9	-33.9	0	0	0	110.5	Q161	P159-Q161 VanDerWaalsContact C-N 3.26Å; P159-Q161 PolarHBondContact O-N 3.48Å
160	C	32.6	Very low	33.3	Very low	108 Å²	108	130.4 Å²	130.4	73%	0.73	75%	0.748	S	S	*	*			trans	-62.5	91.5	162.2	-76.4	0	0	0	0	109.5	C158 T162	C158-C160 PolarHBondContact O-N 3.41Å; C160-T162 PolarHBondContact O-N 3.2Å
161	Q	28.8	Very low	33.5	Very low	171 Å²	171	130.4 Å²	130.4	80%	0.799	74%	0.743	S	S	*	*			trans	-59.5	98.4	-177.5	-166.3	176.7	51.5	0	0	110	P159 I163	P159-Q161 VanDerWaalsContact C-N 3.26Å; P159-Q161 PolarHBondContact O-N 3.48Å; Q161-I163 PolarHBondContact O-N 2.87Å
162	T	28.3	Very low	33.6	Very low	118 Å²	118	132.8 Å²	132.8	72%	0.724	75%	0.745	S	S	*	*			trans	-71.1	97.1	175.6	-62.8	0	0	0	0	108.1	C160 K164	C160-T162 PolarHBondContact O-N 3.2Å; T162-K164 HydrophobicContact CG2-CG 4.24Å; T162-K164 PolarHBondContact O-N 3.02Å
163	I	32	Very low	33.9	Very low	134 Å²	134	138.3 Å²	138.3	69%	0.687	75%	0.75	S	S	*	*			trans	-68	85.4	170.5	-55.5	177.5	0	0	0	107.5	Q161 I165	Q161-I163 PolarHBondContact O-N 2.87Å; I163-I165 VanDerWaalsContact C-N 3.34Å; I163-I165 HydrophobicContact CG2-CG1 4.21Å; I163-I165 PolarHBondContact O-N 2.76Å
164	K	33.5	Very low	34.1	Very low	146 Å²	146	144.8 Å²	144.8	64%	0.635	76%	0.757	S	S	*	*			trans	-62.4	101.7	160	-73.6	-176	179.2	176.9	0	106.4	T162 F166	T162-K164 HydrophobicContact CG2-CG 4.24Å; T162-K164 PolarHBondContact O-N 3.02Å; K164-F166 HydrophobicContact CB-CD2 3.74Å; K164-F166 HydrophobicContact CB-CE2 3.51Å; K164-F166 HydrophobicContact CB-CZ 4.18Å; K164-F166 HydrophobicContact CD-CE2 3.84Å; K164-F166 HydrophobicContact CD-CZ 3.74Å; K164-F166 HydrophobicContact CG-CE2 4.31Å; K164-F166 WeakPolarHBondContact O-CD2 3.22Å; K164-F166 PolarHBondContact O-N 3.13Å
165	I	30.7	Very low	34.4	Very low	152 Å²	152	144.3 Å²	144.3	78%	0.779	75%	0.753	S	S	*	*			trans	-68	84	163	-56.4	176.6	0	0	0	105.9	I163 P167	I163-I165 VanDerWaalsContact C-N 3.34Å; I163-I165 HydrophobicContact CG2-CG1 4.21Å; I163-I165 PolarHBondContact O-N 2.76Å; I165-P167 VanDerWaalsContact O-CD 3.31Å; I165-P167 WeakPolarHBondContact O-CD 3.37Å
166	F	32.2	Very low	34.5	Very low	153 Å²	153	142.8 Å²	142.8	67%	0.671	75%	0.748	S	S	*	*			trans	-62.3	118.6	165.7	-75.2	-84.5	0	0	0	106.8	K164 N168	K164-F166 HydrophobicContact CB-CD2 3.74Å; K164-F166 HydrophobicContact CB-CE2 3.51Å; K164-F166 HydrophobicContact CB-CZ 4.18Å; K164-F166 HydrophobicContact CD-CE2 3.84Å; K164-F166 HydrophobicContact CD-CZ 3.74Å; K164-F166 HydrophobicContact CG-CE2 4.31Å; K164-F166 WeakPolarHBondContact O-CD2 3.22Å; K164-F166 PolarHBondContact O-N 3.13Å; F166-N168 PolarHBondContact O-N 2.65Å; F166-N168 VanDerWaalsContact O-N 3.15Å
167	P	41.5	Very low	34.8	Very low	113 Å²	113	140.9 Å²	140.9	73%	0.734	74%	0.743	S	S	*	*			trans	-60.1	123.1	165.5	27	-31.4	0	0	0	106.6	I165	I165-P167 VanDerWaalsContact O-CD 3.31Å; I165-P167 WeakPolarHBondContact O-CD 3.37Å
168	N	36.1	Very low	34.8	Very low	87 Å²	87	140.4 Å²	140.4	47%	0.465	74%	0.741	S	S	.	*			trans	-42.4	120.3	-174	177.2	4.1	0	0	0	111.2	F166 D170 I171	F166-N168 PolarHBondContact O-N 2.65Å; F166-N168 VanDerWaalsContact O-N 3.15Å; N168-D170 PolarHBondContact O-N 3.44Å; N168-D170 VanDerWaalsContact O-N 3.08Å; N168-D170 PolarHBondContact OD1-N 3.44Å; N168-D170 VanDerWaalsContact OD1-N 3.16Å; N168-I171 HydrophobicContact CB-CD1 4.07Å; N168-I171 HydrophobicContact CB-CG1 4.08Å; N168-I171 PolarHBondContact O-N 3.3Å
169	P	45.8	Very low	35	Very low	117 Å²	117	138.9 Å²	138.9	76%	0.76	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	-21.2	-175.7	24.2	-34.3	0	0	0	113.3	I171	P169-I171 VanDerWaalsContact C-N 3.32Å; P169-I171 PolarHBondContact O-N 3.03Å
170	D	39.9	Very low	35.1	Very low	138 Å²	138	139.5 Å²	139.5	74%	0.738	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-0.6	179.3	-61.7	-39.3	0	0	0	114.3	N168 Q172	N168-D170 PolarHBondContact O-N 3.44Å; N168-D170 VanDerWaalsContact O-N 3.08Å; N168-D170 PolarHBondContact OD1-N 3.44Å; N168-D170 VanDerWaalsContact OD1-N 3.16Å; D170-Q172 VanDerWaalsContact C-N 3.25Å; D170-Q172 PolarHBondContact O-N 3.23Å
171	I	38.8	Very low	35.3	Very low	120 Å²	120	139.4 Å²	139.4	62%	0.615	75%	0.746	S	S	*	*			trans	-79.4	83.2	168.4	-57	176.1	0	0	0	108.2	N168 P169 R173	N168-I171 HydrophobicContact CB-CD1 4.07Å; N168-I171 HydrophobicContact CB-CG1 4.08Å; N168-I171 PolarHBondContact O-N 3.3Å; P169-I171 VanDerWaalsContact C-N 3.32Å; P169-I171 PolarHBondContact O-N 3.03Å; I171-R173 PolarHBondContact O-N 3.33Å
172	Q	36.7	Very low	35.4	Very low	181 Å²	181	139.7 Å²	139.7	85%	0.846	75%	0.752	S	S	*	*			trans	-54.7	92.6	158.9	-79.2	-171.9	-4.6	0	0	109	D170 R174	D170-Q172 VanDerWaalsContact C-N 3.25Å; D170-Q172 PolarHBondContact O-N 3.23Å; Q172-R174 PolarHBondContact O-N 3.21Å; Q172-R174 VanDerWaalsContact O-N 3.1Å
173	R	37	Very low	35.8	Very low	222 Å²	222	140.5 Å²	140.5	84%	0.838	76%	0.757	S	S	*	*			trans	-53.8	118.4	152.3	-92.7	-175.4	165.3	-168.4	-2.8	105.7	I171 V175	I171-R173 PolarHBondContact O-N 3.33Å; R173-V175 PolarHBondContact O-N 3.19Å
174	R	35.9	Very low	35.8	Very low	249 Å²	249	144.1 Å²	144.1	94%	0.94	77%	0.768	S	S	*	*			trans	-59	94.9	164.2	-75.7	-179.3	170.1	174.7	-5.1	107.4	Q172 S176	Q172-R174 PolarHBondContact O-N 3.21Å; Q172-R174 VanDerWaalsContact O-N 3.1Å; R174-S176 PolarHBondContact O-N 3.45Å
175	V	37	Very low	35.7	Very low	125 Å²	125	142.8 Å²	142.8	76%	0.758	78%	0.777	S	S	*	*			trans	-65.8	122.9	165.4	-172.6	0	0	0	0	105.2	R173 T177	R173-V175 PolarHBondContact O-N 3.19Å; V175-T177 PolarHBondContact O-N 2.96Å
176	S	35.2	Very low	35.7	Very low	100 Å²	100	140.7 Å²	140.7	70%	0.699	77%	0.773	S	S	*	*			trans	-56.4	127.9	169.1	-60.3	0	0	0	0	108	R174 D178	R174-S176 PolarHBondContact O-N 3.45Å; S176-D178 VanDerWaalsContact C-N 3.33Å; S176-D178 PolarHBondContact O-N 2.89Å
177	T	33.7	Very low	35.9	Very low	132 Å²	132	144.4 Å²	144.4	81%	0.81	78%	0.782	S	S	*	*			trans	-71.9	84.4	-175.4	46.7	0	0	0	0	111.4	V175	V175-T177 PolarHBondContact O-N 2.96Å
178	D	34.2	Very low	35.8	Very low	156 Å²	156	148.7 Å²	148.7	83%	0.834	79%	0.79	S	S	*	*			trans	-107.7	112.8	159.9	-74.5	-41.7	0	0	0	107.8	S176	S176-D178 VanDerWaalsContact C-N 3.33Å; S176-D178 PolarHBondContact O-N 2.89Å
179	G	33.1	Very low	35.9	Very low	79 Å²	79	150.3 Å²	150.3	81%	0.814	80%	0.803	S	S	*	*			trans	117.2	50.2	177.7	0	0	0	0	0	116.4
180	V	34.5	Very low	35.3	Very low	128 Å²	128	151.7 Å²	151.7	78%	0.776	80%	0.804	S	S	*	*			trans	-99.5	117.3	156	178.5	0	0	0	0	108.3	L182	V180-L182 PolarHBondContact O-N 3.33Å
181	S	35.5	Very low	35.3	Very low	107 Å²	107	152.7 Å²	152.7	75%	0.748	81%	0.809	S	S	*	*			trans	-60.8	129.5	-179.2	-55.9	0	0	0	0	111.9	T183	S181-T183 PolarHBondContact O-N 2.98Å; S181-T183 VanDerWaalsContact O-N 3.17Å
182	L	32.4	Very low	35	Very low	177 Å²	177	152.2 Å²	152.2	93%	0.927	82%	0.816	S	S	*	*			trans	-74	102.2	178.5	-68.9	168.8	0	0	0	111.4	V180	V180-L182 PolarHBondContact O-N 3.33Å
183	T	35.6	Very low	35.1	Very low	134 Å²	134	154.7 Å²	154.7	82%	0.822	82%	0.818	S	S	*	*			trans	-114	117.7	158.9	51.5	0	0	0	0	109.7	S181	S181-T183 PolarHBondContact O-N 2.98Å; S181-T183 VanDerWaalsContact O-N 3.17Å
184	K	32.8	Very low	35	Very low	211 Å²	211	148.4 Å²	148.4	92%	0.917	81%	0.808	S	S	*	*			trans	-62.7	140	-171	-62	170.7	178.6	175	0	112.6
185	S	30.3	Very low	35.2	Very low	117 Å²	117	143.9 Å²	143.9	82%	0.818	80%	0.803	S	S	*	*			trans	-142.6	125.8	145	-171.5	0	0	0	0	109.1
186	P	31.8	Very low	35.2	Very low	108 Å²	108	144.8 Å²	144.8	70%	0.701	80%	0.803	S	S	*	*			trans	-93.2	125.4	-173.1	34.2	-31.2	0	0	0	112
187	R	37	Very low	35.4	Very low	231 Å²	231	148.6 Å²	148.6	87%	0.872	81%	0.807	S	S	*	*			trans	-173.9	151.5	153.3	-100	152.8	-148.3	-151.4	6.7	109.3
188	F	38.1	Very low	35.6	Very low	203 Å²	203	148.2 Å²	148.2	89%	0.89	81%	0.81	S	S	*	*			trans	76.7	95.1	-177.3	-60.1	-73.8	0	0	0	116
189	T	38	Very low	35.8	Very low	122 Å²	122	146.7 Å²	146.7	75%	0.748	81%	0.806	S	S	*	*			trans	-79.6	165.3	173.6	43.7	0	0	0	0	112.8
190	D	33.4	Very low	36	Very low	146 Å²	146	148.4 Å²	148.4	78%	0.781	80%	0.803	S	S	*	*			trans	64.2	77	149.8	-51	-24.8	0	0	0	120.1
191	L	39.6	Very low	36.1	Very low	159 Å²	159	146.7 Å²	146.7	83%	0.832	80%	0.803	S	S	*	*			trans	-129.2	101.2	141.1	-80.6	172.8	0	0	0	109.6	W193	L191-W193 PolarHBondContact O-N 3.47Å
192	S	34.3	Very low	36.2	Very low	110 Å²	110	151.7 Å²	151.7	77%	0.769	81%	0.811	S	S	*	*			trans	-77.3	100.8	-177.4	46.8	0	0	0	0	112.6	S194	S192-S194 VanDerWaalsContact C-N 3.27Å; S192-S194 PolarHBondContact O-N 2.68Å
193	W	38.5	Very low	36.4	Very low	232 Å²	232	154.5 Å²	154.5	88%	0.879	81%	0.809	S	S	*	*			trans	-80.2	72.4	170.1	-77.2	67.7	0	0	0	111	L191	L191-W193 PolarHBondContact O-N 3.47Å
194	S	34.5	Very low	36.5	Very low	90 Å²	90	157.1 Å²	157.1	63%	0.629	81%	0.812	S	S	*	*			trans	-131	53.8	178.5	65.4	0	0	0	0	112.2	S192	S192-S194 VanDerWaalsContact C-N 3.27Å; S192-S194 PolarHBondContact O-N 2.68Å
195	N	39.3	Very low	36.4	Very low	155 Å²	155	152.7 Å²	152.7	83%	0.829	80%	0.798	S	S	*	*			trans	-168.9	76.4	166.1	-98.5	-36.2	0	0	0	110.5
196	D	37	Very low	36.8	Very low	144 Å²	144	153.1 Å²	153.1	77%	0.77	79%	0.79	S	S	*	*			trans	-126.3	104.6	165.2	-134.4	-18	0	0	0	110.2
197	K	39.1	Very low	36.8	Very low	179 Å²	179	153.3 Å²	153.3	78%	0.778	79%	0.785	S	S	*	*			trans	-78.2	125.5	-177.6	-76.1	177.5	176.3	174.8	0	109.3	T199	K197-T199 PolarHBondContact O-N 2.8Å; K197-T199 PolarHBondContact O-OG1 2.95Å
198	S	38.3	Very low	36.8	Very low	124 Å²	124	150 Å²	150	87%	0.867	78%	0.779	S	S	*	*			trans	-50.3	97.2	171.9	-48.6	0	0	0	0	111.3	P200	S198-P200 VanDerWaalsContact O-CD 3.32Å; S198-P200 WeakPolarHBondContact O-CD 3.47Å
199	T	39.3	Very low	36.5	Very low	125 Å²	125	144.6 Å²	144.6	77%	0.767	77%	0.767	S	S	*	*			trans	-80.7	115.7	-179.4	-61.5	0	0	0	0	108.9	K197 A201	K197-T199 PolarHBondContact O-N 2.8Å; K197-T199 PolarHBondContact O-OG1 2.95Å; T199-A201 PolarHBondContact O-N 3.25Å
200	P	37.9	Very low	36	Very low	114 Å²	114	144.9 Å²	144.9	74%	0.74	77%	0.772	S	S	*	*			trans	-71.1	121.2	179.3	28.7	-32.8	0	0	0	109.5	S198 K202	S198-P200 VanDerWaalsContact O-CD 3.32Å; S198-P200 WeakPolarHBondContact O-CD 3.47Å; P200-K202 PolarHBondContact O-N 3.1Å; P200-K202 VanDerWaalsContact O-N 3.13Å
201	A	36.3	Very low	35.9	Very low	93 Å²	93	145 Å²	145	77%	0.769	77%	0.772	S	S	*	*			trans	-61.3	117.3	176.6	0	0	0	0	0	110.2	T199 R203	T199-A201 PolarHBondContact O-N 3.25Å; A201-R203 PolarHBondContact O-N 3.02Å
202	K	37	Very low	35.4	Very low	211 Å²	211	141.8 Å²	141.8	92%	0.917	77%	0.767	S	S	*	*			trans	-52.1	101.7	172.7	-86.2	-179.5	171.8	176.3	0	110.2	P200 Q204	P200-K202 PolarHBondContact O-N 3.1Å; P200-K202 VanDerWaalsContact O-N 3.13Å; K202-Q204 PolarHBondContact O-N 3.15Å
203	R	35.6	Very low	35.3	Very low	236 Å²	236	141.4 Å²	141.4	89%	0.891	77%	0.771	S	S	*	*			trans	-76.7	116.3	159	-70.3	-174.9	171	-148.8	-1.7	107	A201 N205	A201-R203 PolarHBondContact O-N 3.02Å; R203-N205 PolarHBondContact O-N 3.46Å; R203-N205 VanDerWaalsContact O-N 3.09Å
204	Q	37.7	Very low	34.9	Very low	189 Å²	189	137 Å²	137	88%	0.883	77%	0.765	S	S	*	*			trans	-66.6	107	160.1	-91	-179.5	-42.8	0	0	107.1	K202 I206	K202-Q204 PolarHBondContact O-N 3.15Å; Q204-I206 PolarHBondContact O-N 2.92Å
205	N	30.8	Very low	34.8	Very low	118 Å²	118	138.1 Å²	138.1	63%	0.631	77%	0.768	S	S	*	*			trans	-68.4	118.7	167.8	-132.5	32.2	0	0	0	107	R203 D207	R203-N205 PolarHBondContact O-N 3.46Å; R203-N205 VanDerWaalsContact O-N 3.09Å; N205-D207 PolarHBondContact ND2-OD1 2.74Å; N205-D207 PolarHBondContact ND2-OD2 2.69Å
206	I	39.3	Very low	34.5	Very low	127 Å²	127	137.8 Å²	137.8	65%	0.651	77%	0.766	S	S	*	*			trans	-107.6	87.9	159.2	-57.8	-179.3	0	0	0	104.7	Q204 H208	Q204-I206 PolarHBondContact O-N 2.92Å; I206-H208 WeakPolarHBondContact CG2-NE2 3.49Å; I206-H208 PolarHBondContact O-N 2.82Å
207	D	32.3	Very low	34.3	Very low	111 Å²	111	138.1 Å²	138.1	59%	0.594	77%	0.767	S	S	*	*			trans	-66.5	95.3	172.7	-68	-61.7	0	0	0	108.7	N205 S209	N205-D207 PolarHBondContact ND2-OD1 2.74Å; N205-D207 PolarHBondContact ND2-OD2 2.69Å; D207-S209 PolarHBondContact O-N 2.78Å
208	H	36.1	Very low	34	Very low	162 Å²	162	137.9 Å²	137.9	75%	0.75	77%	0.769	S	S	*	*			trans	-80.5	70.5	159.8	-69.1	-53	0	0	0	108.4	I206 C210	I206-H208 WeakPolarHBondContact CG2-NE2 3.49Å; I206-H208 PolarHBondContact O-N 2.82Å; H208-C210 PolarHBondContact O-N 2.82Å; H208-C210 VanDerWaalsContact O-N 3.16Å
209	S	32.7	Very low	33.7	Very low	89 Å²	89	136.9 Å²	136.9	62%	0.622	75%	0.753	S	S	*	*			trans	-67.7	107.3	173.9	47.1	0	0	0	0	109.9	D207 I211	D207-S209 PolarHBondContact O-N 2.78Å; S209-I211 PolarHBondContact O-N 2.82Å
210	C	27.2	Very low	33.4	Very low	128 Å²	128	141 Å²	141	87%	0.865	76%	0.755	S	S	*	*			trans	-67.1	92.6	172.3	-53.9	0	0	0	0	109.6	H208 A212	H208-C210 PolarHBondContact O-N 2.82Å; H208-C210 VanDerWaalsContact O-N 3.16Å; C210-A212 PolarHBondContact O-N 2.71Å; C210-A212 VanDerWaalsContact O-N 3.11Å
211	I	31.5	Very low	33.1	Very low	150 Å²	150	142 Å²	142	77%	0.769	75%	0.754	S	S	*	*			trans	-77.4	97.6	170	-59.5	-179.8	0	0	0	108.2	S209 A213	S209-I211 PolarHBondContact O-N 2.82Å; I211-A213 PolarHBondContact O-N 3.35Å
212	A	27.5	Very low	33.1	Very low	90 Å²	90	143.5 Å²	143.5	74%	0.744	75%	0.749	S	S	*	*			trans	-74	105.1	165	0	0	0	0	0	109	C210 N214	C210-A212 PolarHBondContact O-N 2.71Å; C210-A212 VanDerWaalsContact O-N 3.11Å; A212-N214 VanDerWaalsContact C-N 3.31Å; A212-N214 PolarHBondContact O-N 2.82Å; A212-N214 VanDerWaalsContact O-N 3.1Å
213	A	32.3	Very low	33.2	Very low	103 Å²	103	142.9 Å²	142.9	85%	0.851	74%	0.741	S	S	*	*			trans	-80.6	83.1	168	0	0	0	0	0	109.3	I211	I211-A213 PolarHBondContact O-N 3.35Å
214	N	32	Very low	33.3	Very low	140 Å²	140	138.2 Å²	138.2	75%	0.749	73%	0.733	S	S	*	*			trans	-91.5	134.5	169.5	-142.4	13.7	0	0	0	108	A212	A212-N214 VanDerWaalsContact C-N 3.31Å; A212-N214 PolarHBondContact O-N 2.82Å; A212-N214 VanDerWaalsContact O-N 3.1Å
215	V	31.7	Very low	33.2	Very low	113 Å²	113	133.7 Å²	133.7	69%	0.685	72%	0.722	S	S	*	*			trans	53.6	111.8	151.1	-178.1	0	0	0	0	117.2
216	D	33.3	Very low	33.4	Very low	148 Å²	148	134.8 Å²	134.8	79%	0.791	72%	0.724	S	S	*	*				-166	158	88.6	-132.5	-29.1	0	0	0	114.7
217	L	31.4	Very low	33.3	Very low	150 Å²	150	137.1 Å²	137.1	79%	0.785	73%	0.731	S	S	*	*			trans	-92	131.3	168.8	-72	146.5	0	0	0	108.8
218	Q	33.3	Very low	33.6	Very low	175 Å²	175	136.9 Å²	136.9	82%	0.818	74%	0.739	S	S	*	*				174.8	143.2	129.1	-99.5	168.5	41.4	0	0	116.7
219	N	31.6	Very low	33.7	Very low	103 Å²	103	136 Å²	136	55%	0.551	74%	0.739	S	S	*	*			trans	69.5	122.6	140	-82.6	-46.7	0	0	0	122.5
220	R	33.4	Very low	33.7	Very low	212 Å²	212	137.5 Å²	137.5	80%	0.8	74%	0.74	S	S	*	*			trans	69.5	140.9	132.9	-66.5	168.6	-173.3	-175.2	-3.8	116.9
221	N	31.9	Very low	34.1	Very low	134 Å²	134	140 Å²	140	72%	0.717	74%	0.736	S	S	*	*			cis	172.7	174.5	-16.2	-113.9	8.7	0	0	0	103.1
222	D	36.9	Very low	34.3	Very low	125 Å²	125	136.8 Å²	136.8	67%	0.668	73%	0.727	S	S	*	*			trans	74.7	133.9	170.6	-56.7	-49.3	0	0	0	115.9
223	R	38	Very low	34.5	Very low	197 Å²	197	138.9 Å²	138.9	74%	0.743	72%	0.724	S	S	*	*			cis	-170.8	151	-8	-121.3	168.3	-162.9	-124.4	-0.4	110.3
224	L	37.6	Very low	34.7	Very low	138 Å²	138	140.6 Å²	140.6	72%	0.723	72%	0.719	S	S	*	*			trans	65.3	153.6	152.3	-57.4	164	0	0	0	117
225	S	35.9	Very low	34.8	Very low	95 Å²	95	142.5 Å²	142.5	66%	0.664	72%	0.724	S	S	*	*			cis	-173.2	164.7	-18.2	52	0	0	0	0	107.3
226	E	36.1	Very low	34.8	Very low	141 Å²	141	144.7 Å²	144.7	66%	0.659	73%	0.731	S	S	*	*			cis	-163.1	179.3	-19	-108.1	167.1	81	0	0	108.7
227	H	36.7	Very low	34.8	Very low	175 Å²	175	142.6 Å²	142.6	81%	0.81	73%	0.725	S	S	*	*			trans	71.2	140.9	174.8	-42	-61.1	0	0	0	115.3
228	S	38.3	Very low	34.8	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	72%	0.721	S	S	*	*			cis	-165	162.4	-7.2	49.3	0	0	0	0	107.6
229	L	37.8	Very low	34.7	Very low	143 Å²	143	137.7 Å²	137.7	75%	0.749	71%	0.714	S	S	*	*			cis	-152.5	-165	-0.2	-128	170.6	0	0	0	110.4
230	N	34.1	Very low	34.6	Very low	120 Å²	120	139.1 Å²	139.1	64%	0.642	72%	0.721	S	S	*	*			trans	-86.9	178.8	-175.7	-52.8	-29.8	0	0	0	112.7
231	F	34.8	Very low	34.6	Very low	181 Å²	181	139 Å²	139	79%	0.794	72%	0.723	S	S	*	*			cis	-152.7	171.6	22.1	-69.8	-97.3	0	0	0	108.2
232	S	35.7	Very low	34.6	Very low	83 Å²	83	137.1 Å²	137.1	58%	0.58	72%	0.719	S	S	*	*			cis	-161.5	141.7	-20.7	-100.3	0	0	0	0	106.5
233	I	32.4	Very low	34.5	Very low	133 Å²	133	135.7 Å²	135.7	68%	0.682	72%	0.719	S	S	*	*				66.7	103.1	74.3	-55.5	169.4	0	0	0	114.9
234	N	36.2	Very low	34.4	Very low	140 Å²	140	133.2 Å²	133.2	75%	0.749	72%	0.718	S	S	*	*			trans	166	95	134.4	-84.6	-26.4	0	0	0	109
235	Q	32.9	Very low	34.2	Very low	179 Å²	179	132.7 Å²	132.7	84%	0.836	72%	0.716	S	S	*	*				79.9	122.9	89.8	-74.8	-169.7	39.4	0	0	115.1
236	L	31.6	Very low	34.3	Very low	159 Å²	159	133.4 Å²	133.4	83%	0.832	72%	0.721	S	S	*	*			trans	-62.5	167.7	168.4	-112.2	78.8	0	0	0	111.3
237	P	34.2	Very low	34.2	Very low	104 Å²	104	135 Å²	135	68%	0.675	73%	0.726	S	S	*	*			cis	-152.3	168.7	44.7	42.2	-20.8	0	0	0	120.2
238	T	31.9	Very low	34.1	Very low	113 Å²	113	133 Å²	133	69%	0.693	72%	0.721	S	S	*	*			trans	62.8	142.9	144.1	46.6	0	0	0	0	124.2
239	T	30.8	Very low	33.8	Very low	109 Å²	109	132.8 Å²	132.8	67%	0.669	72%	0.715	S	S	*	*			trans	71	101.6	150	46	0	0	0	0	120.8
240	D	29.6	Very low	33.5	Very low	134 Å²	134	133.4 Å²	133.4	72%	0.717	72%	0.718	S	S	*	*				80.7	151.4	123.3	-52.8	-18.7	0	0	0	123.1
241	Y	33.8	Very low	33.4	Very low	210 Å²	210	131.8 Å²	131.8	82%	0.824	72%	0.716	S	S	*	*			trans	74	102.8	163.5	-77	-77.1	0	0	0	121.5
242	S	32.2	Very low	33.1	Very low	93 Å²	93	128.2 Å²	128.2	65%	0.65	71%	0.712	S	S	*	*				72	105.8	125.1	64.9	0	0	0	0	122.1
243	S	34.1	Very low	33	Very low	95 Å²	95	131.1 Å²	131.1	66%	0.664	72%	0.721	S	S	*	*				90.7	155.7	112.3	81.1	0	0	0	0	121.6
244	M	36.4	Very low	33.1	Very low	145 Å²	145	129.3 Å²	129.3	71%	0.714	72%	0.72	S	S	*	*			trans	72.3	108.5	166.1	-58.2	-58.4	105.4	0	0	116.4
245	N	33	Very low	32.9	Very low	128 Å²	128	127.1 Å²	127.1	68%	0.684	72%	0.715	S	S	*	*				78.8	104.1	71.9	-85.4	-7.7	0	0	0	114.8
246	S	37.5	Very low	32.9	Very low	110 Å²	110	126.1 Å²	126.1	77%	0.769	72%	0.715	S	S	*	*				-174.1	128.9	129.3	15.9	0	0	0	0	109.2
247	F	33.4	Very low	32.9	Very low	175 Å²	175	122.8 Å²	122.8	77%	0.768	71%	0.705	S	S	*	*				58.3	125	82.6	-65.7	-64.1	0	0	0	111.9
248	N	35.9	Very low	32.7	Very low	131 Å²	131	123.7 Å²	123.7	70%	0.701	71%	0.714	S	S	*	*			cis	-158	132	32.8	-93.5	-25.3	0	0	0	109.7
249	T	31.4	Very low	33	Very low	103 Å²	103	122.9 Å²	122.9	63%	0.632	71%	0.713	S	S	*	*				59.1	129.5	87.5	62.1	0	0	0	0	118.9
250	I	32.2	Very low	33.3	Very low	157 Å²	157	123.3 Å²	123.3	81%	0.805	72%	0.72	S	S	*	*			trans	74	134.8	139.5	-70.5	167.1	0	0	0	116.1
251	S	31.7	Very low	34.1	Very low	86 Å²	86	122.5 Å²	122.5	60%	0.601	72%	0.722	S	S	*	*			cis	-176.4	168.8	-6.7	51.7	0	0	0	0	110.6
252	C	29.1	Very low	34.7	Very low	105 Å²	105	117.4 Å²	117.4	71%	0.709	72%	0.715	S	S	*	*			trans	59.7	154.9	144.9	78.8	0	0	0	0	119
253	L	33.2	Very low	35	Very low	145 Å²	145	122.3 Å²	122.3	76%	0.759	73%	0.725	S	S	*	*			cis	-167.5	169.5	16.9	-126.1	151.8	0	0	0	107.8
254	S	34.1	Very low	35	Very low	94 Å²	94	124.6 Å²	124.6	66%	0.657	73%	0.73	S	S	*	*			trans	58.3	109.6	152.3	-56.3	0	0	0	0	120.1
255	S	31.4	Very low	35.2	Very low	94 Å²	94	125.7 Å²	125.7	66%	0.657	74%	0.737	S	S	*	*				85.8	146.5	60.6	74.3	0	0	0	0	116
256	L	34.1	Very low	35.4	Very low	159 Å²	159	128.2 Å²	128.2	83%	0.832	74%	0.742	S	S	*	*			trans	77.1	146.5	-177.6	-69.7	78.9	0	0	0	115.4
257	S	30.7	Very low	35.3	Very low	89 Å²	89	132.3 Å²	132.3	62%	0.622	75%	0.746	S	S	*	*			cis	150.5	142.7	-30.5	56.6	0	0	0	0	108.7
258	S	31.4	Very low	35.4	Very low	123 Å²	123	133.6 Å²	133.6	86%	0.86	75%	0.754	S	S	*	*			trans	71.9	150.7	-177.3	84.3	0	0	0	0	114.6
259	S	37.8	Very low	35.2	Very low	96 Å²	96	132.6 Å²	132.6	67%	0.671	75%	0.754	S	S	*	*			cis	-155.8	135.9	12.4	56.8	0	0	0	0	114.8
260	S	36.9	Very low	35.7	Very low	118 Å²	118	134.3 Å²	134.3	83%	0.825	76%	0.763	S	S	*	*			trans	73	156.6	135.7	-58.1	0	0	0	0	123.6
261	P	46	Very low	35.7	Very low	117 Å²	117	131.6 Å²	131.6	76%	0.76	76%	0.759	S	S	*	*			trans	-119	-149.9	-161.4	44.9	-27.5	0	0	0	111.3
262	P	46.8	Very low	36.1	Very low	103 Å²	103	135 Å²	135	67%	0.669	77%	0.769	S	S	*	*			cis	-136.5	-171.8	-6.9	41.9	-22.9	0	0	0	115.3
263	F	38.3	Very low	36.4	Very low	196 Å²	196	140 Å²	140	86%	0.86	78%	0.779	S	S	*	*				-173.1	161.1	123.2	-113.8	-85.5	0	0	0	113.9
264	N	34.2	Very low	36.7	Very low	143 Å²	143	144.9 Å²	144.9	77%	0.765	79%	0.787	S	S	*	*			trans	-86.9	158.1	-170.8	-86.6	-79.2	0	0	0	115.1
265	L	40.1	Very low	36.9	Very low	167 Å²	167	152.3 Å²	152.3	87%	0.874	80%	0.801	S	S	*	*				-167.7	151.8	120.5	-102.9	154.1	0	0	0	116.3
266	K	38.3	Very low	36.9	Very low	182 Å²	182	152.7 Å²	152.7	79%	0.791	80%	0.803	S	S	*	*			trans	-64	139	-160.6	-73.9	161.3	172	170.8	0	119.2
267	K	33.9	Very low	37.1	Very low	196 Å²	196	155.5 Å²	155.5	85%	0.852	80%	0.803	S	S	*	*				30.9	125.7	126.6	-63	179.6	174.5	-179.4	0	120.3
268	Q	37.1	Very low	37.2	Very low	201 Å²	201	161.3 Å²	161.3	94%	0.939	81%	0.811	S	S	*	*				-143.2	149.5	126.5	-147	172.6	16	0	0	111.1
269	T	31.2	Very low	37.2	Very low	111 Å²	111	160 Å²	160	68%	0.681	80%	0.802	S	S	*	*			trans	-113.9	135	-163.1	-50.4	0	0	0	0	111.8
270	V	40.5	Very low	37.3	Very low	138 Å²	138	160.7 Å²	160.7	84%	0.836	80%	0.802	S	S	*	*			trans	-136.9	121.1	157.1	-171	0	0	0	0	109.3
271	S	32	Very low	37	Very low	101 Å²	101	162.3 Å²	162.3	71%	0.706	80%	0.801	S	S	*	*			trans	-116	105	-175.5	45.7	0	0	0	0	112
272	L	41.8	Very low	36.6	Very low	156 Å²	156	164.4 Å²	164.4	82%	0.817	81%	0.805	S	S	*	*			trans	-114.8	80.1	174.2	-74.2	176.1	0	0	0	112.7	R274	L272-R274 PolarHBondContact O-N 3.4Å
273	K	34.7	Very low	36	Very low	212 Å²	212	164.1 Å²	164.1	92%	0.922	81%	0.805	S	S	*	*			trans	25.8	80.1	137.1	-148.6	172.6	-167.8	173	0	116.9
274	R	40.4	Very low	36	Very low	246 Å²	246	163.9 Å²	163.9	93%	0.928	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-100.5	126	157.8	-77.7	-171.1	175.4	-179.8	0.2	110.5	L272 S276	L272-R274 PolarHBondContact O-N 3.4Å; R274-S276 PolarHBondContact O-N 2.99Å
275	R	37.2	Very low	36	Very low	251 Å²	251	168.4 Å²	168.4	95%	0.947	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-69.8	116.9	175.8	-89.7	178.1	161.7	173.4	-5.3	110.2
276	S	31.3	Very low	35.7	Very low	101 Å²	101	165.3 Å²	165.3	71%	0.706	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-70.5	146.4	165.6	175.6	0	0	0	0	111	R274	R274-S276 PolarHBondContact O-N 2.99Å
277	R	38.7	Very low	35.7	Very low	219 Å²	219	162.6 Å²	162.6	83%	0.826	80%	0.801	S	S	*	*			trans	-151.5	110.9	157.6	-120.8	-174.2	171.2	173.9	-1.4	110.6
278	W	32.1	Very low	35.8	Very low	211 Å²	211	164.3 Å²	164.3	80%	0.799	80%	0.802	S	S	*	*			trans	73	79.5	166.5	-46	97.1	0	0	0	117.8
279	S	32	Very low	35.9	Very low	96 Å²	96	166.8 Å²	166.8	67%	0.671	80%	0.803	S	S	*	*			trans	-107.9	118.5	145.5	49.9	0	0	0	0	107.9
280	V	39.2	Very low	36.1	Very low	109 Å²	109	166.8 Å²	166.8	66%	0.661	81%	0.808	S	S	*	*			trans	-108.8	99.9	173.8	179.3	0	0	0	0	107.7	I282	V280-I282 HydrophobicContact CG1-CD1 4.25Å; V280-I282 HydrophobicContact CG1-CG1 3.94Å
281	D	31.4	Very low	36	Very low	152 Å²	152	165.7 Å²	165.7	81%	0.813	81%	0.806	S	S	*	*			trans	-70.4	128.8	167.3	-70.5	-58.7	0	0	0	109.6
282	I	38.2	Very low	36.4	Very low	162 Å²	162	167.3 Å²	167.3	83%	0.831	81%	0.811	S	S	*	*			trans	-129	96.5	164.3	-51.1	-177.4	0	0	0	108	V280	V280-I282 HydrophobicContact CG1-CD1 4.25Å; V280-I282 HydrophobicContact CG1-CG1 3.94Å
283	S	33	Very low	35.8	Very low	97 Å²	97	163.4 Å²	163.4	68%	0.678	81%	0.809	S	S	*	*			trans	-112.4	124.4	177	-161.3	0	0	0	0	109.9
284	K	39.3	Very low	36	Very low	190 Å²	190	159.4 Å²	159.4	83%	0.826	81%	0.808	S	S	*	*			trans	78.8	120	162.9	-53.4	-179	-175	177.5	0	120.1
285	R	33.6	Very low	35.7	Very low	238 Å²	238	155.9 Å²	155.9	90%	0.898	81%	0.807	S	S	*	*				99.1	122	124.6	-123.5	-178.3	-176.4	-179.7	0.1	120.8
286	S	33.1	Very low	35.5	Very low	103 Å²	103	153.7 Å²	153.7	72%	0.72	80%	0.804	S	S	*	*			trans	70.7	144.3	146	-132.5	0	0	0	0	117.7
287	T	39.4	Very low	35.8	Very low	124 Å²	124	155.3 Å²	155.3	76%	0.761	81%	0.809	S	S	*	*			cis	-146.4	153.5	17.1	-54.8	0	0	0	0	112.5
288	R	36	Very low	35.6	Very low	233 Å²	233	154.3 Å²	154.3	88%	0.879	81%	0.811	S	S	*	*			trans	-29	139	172.9	-63.2	168.4	163	-172.9	-7	118.2
289	R	39.1	Very low	35.7	Very low	253 Å²	253	153 Å²	153	96%	0.955	81%	0.814	S	S	*	*				-161.3	163.3	101	-104.1	178.8	173.5	-160	-2.5	110.6
290	S	35.3	Very low	35.9	Very low	111 Å²	111	155.8 Å²	155.8	78%	0.776	82%	0.82	S	S	*	*			trans	-133.9	179.1	-149.5	47.2	0	0	0	0	114.4
291	S	38	Very low	35.5	Very low	115 Å²	115	157.8 Å²	157.8	80%	0.804	83%	0.827	S	S	*	*			trans	88.6	135.4	-177.3	83.4	0	0	0	0	113.8
292	T	41.3	Very low	35.7	Very low	134 Å²	134	157.7 Å²	157.7	82%	0.822	83%	0.825	S	S	*	*			cis	-136.9	137.1	1.4	47.5	0	0	0	0	113.1
293	G	29	Very low	35.3	Very low	75 Å²	75	159.1 Å²	159.1	77%	0.773	83%	0.828	S	S	*	*				69.6	96	129.4	0	0	0	0	0	120.6
294	S	37.8	Very low	35.6	Very low	127 Å²	127	162.7 Å²	162.7	89%	0.888	83%	0.834	S	S	*	*			trans	-156.1	129.4	149.9	-84.9	0	0	0	0	111.3
295	L	35.6	Very low	35.2	Very low	173 Å²	173	160.3 Å²	160.3	91%	0.906	83%	0.831	S	S	*	*			trans	-71.2	126.2	-175.5	-74.9	156.8	0	0	0	111.6	V297	L295-V297 PolarHBondContact O-N 3.27Å
296	K	31.8	Very low	35.3	Very low	205 Å²	205	157 Å²	157	89%	0.891	83%	0.831	S	S	*	*			trans	-76.2	103.4	164.3	-82.7	-173.7	173.9	-177.5	0	109.5	K298	K296-K298 PolarHBondContact O-N 3.31Å
297	V	37.2	Very low	35.4	Very low	134 Å²	134	160.6 Å²	160.6	81%	0.812	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-70.9	118.8	160	178	0	0	0	0	107.8	L295 Q299	L295-V297 PolarHBondContact O-N 3.27Å; V297-Q299 PolarHBondContact O-N 3.27Å
298	K	34.4	Very low	35.1	Very low	198 Å²	198	161.9 Å²	161.9	86%	0.861	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-69.6	118	169.3	-69.7	179.1	177.8	178.8	0	108	K296	K296-K298 PolarHBondContact O-N 3.31Å
299	Q	34.4	Very low	35.2	Very low	184 Å²	184	159 Å²	159	86%	0.86	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-80.7	117.7	166.6	-171.9	160.2	-12	0	0	107.8	V297	V297-Q299 PolarHBondContact O-N 3.27Å
300	L	36.6	Very low	35	Very low	155 Å²	155	154.4 Å²	154.4	81%	0.812	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-69.3	133.4	177.6	-93.3	158.3	0	0	0	110.4
301	D	31.2	Very low	35.2	Very low	151 Å²	151	156.1 Å²	156.1	81%	0.807	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-67.9	130.1	169.4	-63.3	-61.9	0	0	0	110
302	I	35.5	Very low	35.2	Very low	150 Å²	150	159.6 Å²	159.6	77%	0.769	83%	0.829	S	S	*	*			trans	-120.4	81	164.8	-57.3	179.4	0	0	0	106.5	Q304	I302-Q304 HydrophobicContact CG2-CG 4.49Å; I302-Q304 PolarHBondContact O-N 3.08Å
303	E	30.2	Very low	35.2	Very low	192 Å²	192	159.9 Å²	159.9	90%	0.897	83%	0.826	S	S	*	*			trans	-71.8	107.9	157.2	-79.9	-166	129.1	0	0	108.3
304	Q	38.5	Very low	35.9	Very low	172 Å²	172	161.9 Å²	161.9	80%	0.804	82%	0.823	S	S	*	*			trans	-125.7	117.1	154.8	-80.8	-163.3	-13.5	0	0	110.5	I302	I302-Q304 HydrophobicContact CG2-CG 4.49Å; I302-Q304 PolarHBondContact O-N 3.08Å
305	N	30.5	Very low	36.2	Very low	140 Å²	140	160.2 Å²	160.2	75%	0.749	80%	0.803	S	S	*	*			trans	-15.2	124	159.1	-71.3	-53.9	0	0	0	115.4
306	N	37.5	Very low	36.7	Very low	169 Å²	169	158.4 Å²	158.4	90%	0.904	79%	0.794	S	S	*	*			trans	-147.2	113.9	131.7	-96.3	-40.5	0	0	0	110.1
307	K	35.4	Very low	37.1	Very low	177 Å²	177	156.6 Å²	156.6	77%	0.77	79%	0.789	S	S	*	*			trans	-75.9	160.2	169	-66.8	175.1	179.2	175.4	0	108.8
308	N	32	Very low	37.5	Very low	152 Å²	152	152.3 Å²	152.3	81%	0.813	77%	0.765	S	S	*	*			trans	67.7	104.5	178.3	-57.1	-21.9	0	0	0	115.8
309	L	38.9	Very low	38.1	Very low	172 Å²	172	149.5 Å²	149.5	90%	0.901	75%	0.753	S	S	*	*				-170.6	144.3	107.6	-98	159.5	0	0	0	111.5	M311	L309-M311 PolarHBondContact O-N 3.02Å
310	N	33.6	Very low	38.7	Very low	156 Å²	156	146.9 Å²	146.9	83%	0.834	74%	0.744	S	S	*	*			trans	-85	95.3	-170	-135.8	6.1	0	0	0	110.2
311	M	41	Very low	39.4	Very low	147 Å²	147	147 Å²	147	72%	0.724	74%	0.74	S	S	*	*			trans	-142.4	27.3	179.7	-85.1	-70.4	178	0	0	112.6	L309	L309-M311 PolarHBondContact O-N 3.02Å
312	K	37.8	Very low	40.4	Very low	188 Å²	188	147 Å²	147	82%	0.817	73%	0.729	S	S	*	*			trans	-89.3	108.8	170	-69.1	176.1	-179.4	174.7	0	107.7
313	D	39.8	Very low	41.6	Very low	141 Å²	141	141.8 Å²	141.8	75%	0.754	71%	0.706	S	S	*	*	S	Bend	trans	178.5	-27.6	137.6	-86	-16.2	0	0	0	112.5
314	T	43.9	Very low	43.5	Very low	117 Å²	117	136.8 Å²	136.8	72%	0.718	69%	0.685	S	S	*	*	S	Bend	trans	-85.8	-7.8	-177.8	46.2	0	0	0	0	115.9
315	I	45	Very low	45.1	Very low	91 Å²	91	133.7 Å²	133.7	47%	0.467	67%	0.673	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.6	-20.9	-172.6	-63.2	177.7	0	0	0	112.9	S318 K319	I315-S318 PolarHBondContact O-OG 2.57Å; I315-K319 HydrophobicContact CG2-CD 4.42Å
316	L	44.7	Very low	47.2	Very low	136 Å²	136	133.1 Å²	133.1	71%	0.712	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-42.4	-169.7	-84	162.4	0	0	0	114.2	K319	L316-K319 PolarHBondContact O-N 3.11Å
317	E	40.1	Very low	49	Very low	166 Å²	166	129.5 Å²	129.5	78%	0.776	64%	0.641	S	S	*	*	H	α-helix	trans	-64.1	-43.4	178.5	-68.5	-173.9	128	0	0	112	K319 L320	E317-K319 PolarHBondContact O-N 2.91Å; E317-L320 PolarHBondContact O-N 2.77Å
318	S	46.2	Very low	50.9	Low	45 Å²	45	125.3 Å²	125.3	32%	0.315	63%	0.63	S	S	.	*	H	α-helix	trans	-65.9	-11.9	-176.7	83.5	0	0	0	0	115.1	I315 R322	I315-S318 PolarHBondContact O-OG 2.57Å; S318-R322 WeakPolarHBondContact O-CD 3.47Å; S318-R322 WeakPolarHBondContact O-CG 3.24Å; S318-R322 PolarHBondContact O-NH1 3.03Å
319	K	48.1	Very low	53.2	Low	139 Å²	139	122.1 Å²	122.1	60%	0.604	61%	0.612	S	S	*	*	H	α-helix	trans	-89.3	-29	172.8	-74.2	-178.8	177.4	179	0	112.6	I315 L316 E317 S323	I315-K319 HydrophobicContact CG2-CD 4.42Å; L316-K319 PolarHBondContact O-N 3.11Å; E317-K319 PolarHBondContact O-N 2.91Å; K319-S323 PolarHBondContact O-N 3.25Å
320	L	45.8	Very low	55.2	Low	128 Å²	128	122.3 Å²	122.3	67%	0.67	60%	0.601	S	S	*	*	H	α-helix	trans	-73.1	-50.9	-177.2	-158.8	69.2	0	0	0	110.7	E317 R322 S323	E317-L320 PolarHBondContact O-N 2.77Å; L320-R322 PolarHBondContact O-N 3.22Å; L320-S323 WeakPolarHBondContact O-CB 3.36Å; L320-S323 PolarHBondContact O-N 3.2Å; L320-S323 VanDerWaalsContact O-N 3.13Å; L320-S323 PolarHBondContact O-OG 3.32Å
321	E	51.4	Low	57.4	Low	157 Å²	157	122.3 Å²	122.3	73%	0.734	59%	0.589	S	S	*	*	H	α-helix	trans	-61.3	-44.6	178.6	-68.7	-164.2	128.5	0	0	113.2	S323 D324 L325	E321-S323 PolarHBondContact O-N 3.21Å; E321-D324 PolarHBondContact O-N 3.29Å; E321-L325 PolarHBondContact O-N 3.28Å
322	R	52.1	Low	59.6	Low	152 Å²	152	118.5 Å²	118.5	57%	0.574	58%	0.577	S	S	*	*	H	α-helix	trans	-56.6	-35.2	176.5	-78.7	-174.5	173.6	91.1	-2.8	111.6	S318 L320 D324 F326	S318-R322 WeakPolarHBondContact O-CD 3.47Å; S318-R322 WeakPolarHBondContact O-CG 3.24Å; S318-R322 PolarHBondContact O-NH1 3.03Å; L320-R322 PolarHBondContact O-N 3.22Å; R322-D324 VanDerWaalsContact C-N 3.3Å; R322-D324 PolarHBondContact O-N 2.82Å; R322-F326 WeakPolarHBondContact O-CD2 3.44Å; R322-F326 PolarHBondContact O-N 3.46Å
323	S	60.5	Low	61.7	Low	41 Å²	41	112.3 Å²	112.3	29%	0.287	56%	0.561	S	S	.	*	H	α-helix	trans	-63.3	-35.7	179.6	88.4	0	0	0	0	112.4	K319 L320 E321 K327	K319-S323 PolarHBondContact O-N 3.25Å; L320-S323 WeakPolarHBondContact O-CB 3.36Å; L320-S323 PolarHBondContact O-N 3.2Å; L320-S323 VanDerWaalsContact O-N 3.13Å; L320-S323 PolarHBondContact O-OG 3.32Å; E321-S323 PolarHBondContact O-N 3.21Å; S323-K327 WeakPolarHBondContact O-CD 3.39Å; S323-K327 WeakPolarHBondContact O-CE 3.49Å; S323-K327 WeakPolarHBondContact O-CG 3.3Å; S323-K327 PolarHBondContact O-N 2.86Å; S323-K327 PolarHBondContact OG-NZ 3.45Å
324	D	70.8	Confident	63.8	Low	86 Å²	86	114 Å²	114	46%	0.46	56%	0.557	S	S	.	*	H	α-helix	trans	-81.8	-35.8	-178.3	-78.1	-28	0	0	0	112.8	E321 R322 F326 K327 V328	E321-D324 PolarHBondContact O-N 3.29Å; R322-D324 VanDerWaalsContact C-N 3.3Å; R322-D324 PolarHBondContact O-N 2.82Å; D324-F326 PolarHBondContact O-N 3.37Å; D324-K327 WeakPolarHBondContact O-CB 3.4Å; D324-K327 PolarHBondContact O-N 2.94Å; D324-K327 VanDerWaalsContact O-N 3.16Å; D324-K327 WeakPolarHBondContact OD1-CD 3.32Å; D324-K327 WeakPolarHBondContact OD1-CE 3.35Å; D324-K327 IonicContact OD1-NZ 2.67Å; D324-K327 PolarHBondContact OD1-NZ 2.63Å; D324-V328 WeakPolarHBondContact O-CG2 3.29Å; D324-V328 PolarHBondContact O-N 3.4Å
325	L	72	Confident	65.7	Low	107 Å²	107	117.2 Å²	117.2	56%	0.56	56%	0.556	S	S	*	*	H	α-helix	trans	-58.2	-47.7	172.4	-173.9	66.9	0	0	0	111.4	E321 K327 V328 I329	E321-L325 PolarHBondContact O-N 3.28Å; L325-K327 VanDerWaalsContact C-N 3.34Å; L325-K327 PolarHBondContact O-N 2.82Å; L325-V328 PolarHBondContact O-N 2.97Å; L325-I329 HydrophobicContact CD1-CD1 4.44Å; L325-I329 HydrophobicContact CG-CD1 4.04Å; L325-I329 WeakPolarHBondContact O-CG1 3.09Å; L325-I329 PolarHBondContact O-N 2.88Å
326	F	74.4	Confident	67.6	Low	128 Å²	128	116.7 Å²	116.7	56%	0.561	56%	0.557	S	S	*	*	H	α-helix	trans	-66	-33.1	176.2	-75	-62.3	0	0	0	112.9	R322 D324 R330	R322-F326 WeakPolarHBondContact O-CD2 3.44Å; R322-F326 PolarHBondContact O-N 3.46Å; D324-F326 PolarHBondContact O-N 3.37Å; F326-R330 WeakPolarHBondContact O-CB 3.49Å; F326-R330 PolarHBondContact O-N 2.95Å
327	K	76.3	Confident	69.6	Low	94 Å²	94	115.5 Å²	115.5	41%	0.409	55%	0.551	S	S	.	*	H	α-helix	trans	-64.1	-41.1	171.1	-73.3	166.9	-140.5	153.1	0	111.5	S323 D324 L325 R331	S323-K327 WeakPolarHBondContact O-CD 3.39Å; S323-K327 WeakPolarHBondContact O-CE 3.49Å; S323-K327 WeakPolarHBondContact O-CG 3.3Å; S323-K327 PolarHBondContact O-N 2.86Å; S323-K327 PolarHBondContact OG-NZ 3.45Å; D324-K327 WeakPolarHBondContact O-CB 3.4Å; D324-K327 PolarHBondContact O-N 2.94Å; D324-K327 VanDerWaalsContact O-N 3.16Å; D324-K327 WeakPolarHBondContact OD1-CD 3.32Å; D324-K327 WeakPolarHBondContact OD1-CE 3.35Å; D324-K327 IonicContact OD1-NZ 2.67Å; D324-K327 PolarHBondContact OD1-NZ 2.63Å; L325-K327 VanDerWaalsContact C-N 3.34Å; L325-K327 PolarHBondContact O-N 2.82Å; K327-R331 WeakPolarHBondContact O-CB 3.39Å; K327-R331 WeakPolarHBondContact O-CG 3.38Å; K327-R331 PolarHBondContact O-N 2.89Å
328	V	74.2	Confident	71.5	Confident	89 Å²	89	110.7 Å²	110.7	54%	0.539	54%	0.535	S	S	.	.	H	α-helix	trans	-65.9	-48.9	177.5	171.6	0	0	0	0	111	D324 L325 R330 R331 S332	D324-V328 WeakPolarHBondContact O-CG2 3.29Å; D324-V328 PolarHBondContact O-N 3.4Å; L325-V328 PolarHBondContact O-N 2.97Å; V328-R330 PolarHBondContact O-N 3.38Å; V328-R331 PolarHBondContact O-N 2.77Å; V328-S332 WeakPolarHBondContact O-CB 3.5Å; V328-S332 PolarHBondContact O-N 3.4Å
329	I	80.1	Confident	73	Confident	85 Å²	85	111.9 Å²	111.9	44%	0.436	54%	0.544	S	S	.	.	H	α-helix	trans	-58.7	-48.2	177	-66.1	167.5	0	0	0	110.4	L325 R331 S332 A333	L325-I329 HydrophobicContact CD1-CD1 4.44Å; L325-I329 HydrophobicContact CG-CD1 4.04Å; L325-I329 WeakPolarHBondContact O-CG1 3.09Å; L325-I329 PolarHBondContact O-N 2.88Å; I329-R331 VanDerWaalsContact C-N 3.35Å; I329-R331 PolarHBondContact O-N 2.79Å; I329-S332 PolarHBondContact O-N 3.4Å; I329-A333 WeakPolarHBondContact O-CB 3.35Å; I329-A333 PolarHBondContact O-N 3.4Å
330	R	80.8	Confident	74.7	Confident	175 Å²	175	110 Å²	110	66%	0.66	54%	0.539	S	S	*	.	H	α-helix	trans	-62.9	-36.8	177.9	-177.8	179.1	-98.7	178.5	-6.7	112.7	F326 V328 R334	F326-R330 WeakPolarHBondContact O-CB 3.49Å; F326-R330 PolarHBondContact O-N 2.95Å; V328-R330 PolarHBondContact O-N 3.38Å; R330-R334 WeakPolarHBondContact O-CB 3.28Å; R330-R334 VanDerWaalsContact O-CG 3.31Å; R330-R334 WeakPolarHBondContact O-CG 3.47Å; R330-R334 PolarHBondContact O-N 3.2Å; R330-R334 VanDerWaalsContact O-N 3.16Å
331	R	81.3	Confident	76.2	Confident	156 Å²	156	106.4 Å²	106.4	59%	0.589	53%	0.525	S	S	*	.	H	α-helix	trans	-67.9	-40.1	173.6	-77.6	170.2	178.4	170.9	0.6	111.9	K327 V328 I329 R335	K327-R331 WeakPolarHBondContact O-CB 3.39Å; K327-R331 WeakPolarHBondContact O-CG 3.38Å; K327-R331 PolarHBondContact O-N 2.89Å; V328-R331 PolarHBondContact O-N 2.77Å; I329-R331 VanDerWaalsContact C-N 3.35Å; I329-R331 PolarHBondContact O-N 2.79Å; R331-R335 WeakPolarHBondContact O-CG 3.1Å; R331-R335 PolarHBondContact O-N 3.47Å
332	S	85.4	Confident	77.3	Confident	67 Å²	67	102.5 Å²	102.5	47%	0.469	51%	0.509	S	S	.	.	H	α-helix	trans	-64	-54.9	177.3	-167.6	0	0	0	0	111	V328 I329 R334 R335 T336	V328-S332 WeakPolarHBondContact O-CB 3.5Å; V328-S332 PolarHBondContact O-N 3.4Å; I329-S332 PolarHBondContact O-N 3.4Å; S332-R334 VanDerWaalsContact C-N 3.3Å; S332-R334 PolarHBondContact O-N 2.88Å; S332-R335 WeakPolarHBondContact O-CA 3.2Å; S332-R335 WeakPolarHBondContact O-CB 3.47Å; S332-R335 PolarHBondContact O-N 3.09Å; S332-T336 PolarHBondContact O-N 3.49Å; S332-T336 PolarHBondContact O-OG1 3.46Å
333	A	82.7	Confident	78.5	Confident	59 Å²	59	99.7 Å²	99.7	49%	0.488	51%	0.508	S	S	.	.	H	α-helix	trans	-56.5	-40.5	178.5	0	0	0	0	0	112.9	I329 R335 T336 L337	I329-A333 WeakPolarHBondContact O-CB 3.35Å; I329-A333 PolarHBondContact O-N 3.4Å; A333-R335 PolarHBondContact O-N 3.39Å; A333-T336 PolarHBondContact O-N 3.45Å; A333-L337 WeakPolarHBondContact O-CB 3.29Å; A333-L337 PolarHBondContact O-N 3.1Å
334	R	84.9	Confident	79	Confident	176 Å²	176	102.5 Å²	102.5	66%	0.664	52%	0.52	S	S	*	.	H	α-helix	trans	-62.6	-37.8	173.8	-80.3	179.8	174.2	-175.6	-2.8	113.2	R330 S332 S338	R330-R334 WeakPolarHBondContact O-CB 3.28Å; R330-R334 VanDerWaalsContact O-CG 3.31Å; R330-R334 WeakPolarHBondContact O-CG 3.47Å; R330-R334 PolarHBondContact O-N 3.2Å; R330-R334 VanDerWaalsContact O-N 3.16Å; S332-R334 VanDerWaalsContact C-N 3.3Å; S332-R334 PolarHBondContact O-N 2.88Å; R334-S338 VanDerWaalsContact O-CB 3.27Å; R334-S338 WeakPolarHBondContact O-CB 3.48Å; R334-S338 PolarHBondContact O-N 3.16Å
335	R	83.6	Confident	78.8	Confident	184 Å²	184	107.7 Å²	107.7	69%	0.694	53%	0.533	S	S	*	.	H	α-helix	trans	-69.2	-44.5	175.8	-74.5	176.3	179.9	146.3	-3.1	111.6	R331 S332 A333 S338 S339	R331-R335 WeakPolarHBondContact O-CG 3.1Å; R331-R335 PolarHBondContact O-N 3.47Å; S332-R335 WeakPolarHBondContact O-CA 3.2Å; S332-R335 WeakPolarHBondContact O-CB 3.47Å; S332-R335 PolarHBondContact O-N 3.09Å; A333-R335 PolarHBondContact O-N 3.39Å; R335-S338 PolarHBondContact O-N 3.02Å; R335-S339 WeakPolarHBondContact O-CB 3.49Å; R335-S339 PolarHBondContact O-N 2.79Å
336	T	85	Confident	78.1	Confident	81 Å²	81	111.7 Å²	111.7	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-60.4	-47.6	176.2	-51.2	0	0	0	0	111.1	S332 A333 S338 S339 L340	S332-T336 PolarHBondContact O-N 3.49Å; S332-T336 PolarHBondContact O-OG1 3.46Å; A333-T336 PolarHBondContact O-N 3.45Å; T336-S338 PolarHBondContact O-N 2.99Å; T336-S339 WeakPolarHBondContact O-CB 3.27Å; T336-S339 PolarHBondContact O-N 3.31Å; T336-L340 HydrophobicContact CG2-CD1 4.27Å; T336-L340 WeakPolarHBondContact O-CG 3.26Å; T336-L340 PolarHBondContact O-N 3.48Å
337	L	85.7	Confident	77.1	Confident	111 Å²	111	108.7 Å²	108.7	58%	0.581	54%	0.536	S	S	*	.	H	α-helix	trans	-61.5	-44	176.2	-175.2	64.7	0	0	0	111.8	A333 S339 L340 C341	A333-L337 WeakPolarHBondContact O-CB 3.29Å; A333-L337 PolarHBondContact O-N 3.1Å; L337-S339 VanDerWaalsContact C-N 3.3Å; L337-S339 PolarHBondContact O-N 3.08Å; L337-L340 PolarHBondContact O-N 3.36Å; L337-C341 WeakPolarHBondContact O-CB 3.31Å; L337-C341 PolarHBondContact O-N 3.14Å; L337-C341 PolarHBondContact O-SG 3.26Å
338	S	80.2	Confident	75.9	Confident	65 Å²	65	108.6 Å²	108.6	46%	0.455	54%	0.541	S	S	.	.	H	α-helix	trans	-63.4	-35.4	175.7	-170.7	0	0	0	0	112.7	R334 R335 T336 N342	R334-S338 VanDerWaalsContact O-CB 3.27Å; R334-S338 WeakPolarHBondContact O-CB 3.48Å; R334-S338 PolarHBondContact O-N 3.16Å; R335-S338 PolarHBondContact O-N 3.02Å; T336-S338 PolarHBondContact O-N 2.99Å; S338-N342 WeakPolarHBondContact O-CB 3.35Å; S338-N342 PolarHBondContact O-N 3.38Å; S338-N342 PolarHBondContact O-OD1 3.41Å
339	S	78.5	Confident	74.7	Confident	70 Å²	70	108.6 Å²	108.6	49%	0.49	54%	0.544	S	S	.	.	H	α-helix	trans	-67.4	-44.5	175.8	-165.4	0	0	0	0	111.1	R335 T336 L337 N342 V343	R335-S339 WeakPolarHBondContact O-CB 3.49Å; R335-S339 PolarHBondContact O-N 2.79Å; T336-S339 WeakPolarHBondContact O-CB 3.27Å; T336-S339 PolarHBondContact O-N 3.31Å; L337-S339 VanDerWaalsContact C-N 3.3Å; L337-S339 PolarHBondContact O-N 3.08Å; S339-N342 PolarHBondContact O-N 3.28Å; S339-V343 WeakPolarHBondContact O-CG2 3.38Å; S339-V343 PolarHBondContact O-N 3.31Å
340	L	83	Confident	73	Confident	98 Å²	98	110.5 Å²	110.5	51%	0.513	56%	0.556	S	S	.	*	H	α-helix	trans	-62.1	-46.4	175.1	-72.1	166.7	0	0	0	111.1	T336 L337 N342 V343 L344	T336-L340 HydrophobicContact CG2-CD1 4.27Å; T336-L340 WeakPolarHBondContact O-CG 3.26Å; T336-L340 PolarHBondContact O-N 3.48Å; L337-L340 PolarHBondContact O-N 3.36Å; L340-N342 VanDerWaalsContact C-N 3.28Å; L340-N342 PolarHBondContact O-N 3.12Å; L340-V343 PolarHBondContact O-N 3.45Å; L340-L344 WeakPolarHBondContact O-CB 3.39Å; L340-L344 VanDerWaalsContact O-CG 3.27Å; L340-L344 WeakPolarHBondContact O-CG 3.38Å; L340-L344 PolarHBondContact O-N 3.11Å
341	C	76.9	Confident	71.2	Confident	53 Å²	53	107.4 Å²	107.4	36%	0.358	55%	0.551	S	S	.	*	H	α-helix	trans	-60.6	-34.8	175.6	-69.4	0	0	0	0	112.9	L337 R345	L337-C341 WeakPolarHBondContact O-CB 3.31Å; L337-C341 PolarHBondContact O-N 3.14Å; L337-C341 PolarHBondContact O-SG 3.26Å; C341-R345 WeakPolarHBondContact O-CB 3.46Å; C341-R345 VanDerWaalsContact O-CG 3.22Å; C341-R345 WeakPolarHBondContact O-CG 3.48Å; C341-R345 PolarHBondContact O-N 3.04Å
342	N	75	Confident	69.4	Low	75 Å²	75	103 Å²	103	40%	0.401	55%	0.549	S	S	.	.	H	α-helix	trans	-69.5	-46.5	174.8	-73.7	-7.3	0	0	0	111.3	S338 S339 L340 L344 R345 Y346	S338-N342 WeakPolarHBondContact O-CB 3.35Å; S338-N342 PolarHBondContact O-N 3.38Å; S338-N342 PolarHBondContact O-OD1 3.41Å; S339-N342 PolarHBondContact O-N 3.28Å; L340-N342 VanDerWaalsContact C-N 3.28Å; L340-N342 PolarHBondContact O-N 3.12Å; N342-L344 VanDerWaalsContact C-N 3.33Å; N342-L344 PolarHBondContact O-N 3.42Å; N342-R345 PolarHBondContact O-N 3.28Å; N342-Y346 WeakPolarHBondContact O-CD2 3.31Å; N342-Y346 PolarHBondContact O-N 2.81Å
343	V	78.1	Confident	67.1	Low	93 Å²	93	103.1 Å²	103.1	56%	0.564	55%	0.553	S	S	*	*	H	α-helix	trans	-58	-46.1	175.2	172.5	0	0	0	0	110.8	S339 L340 R345 Y346 S347	S339-V343 WeakPolarHBondContact O-CG2 3.38Å; S339-V343 PolarHBondContact O-N 3.31Å; L340-V343 PolarHBondContact O-N 3.45Å; V343-R345 VanDerWaalsContact C-N 3.33Å; V343-R345 PolarHBondContact O-N 2.93Å; V343-Y346 PolarHBondContact O-N 2.97Å; V343-S347 PolarHBondContact O-N 3.44Å; V343-S347 PolarHBondContact O-OG 3.41Å
344	L	71.1	Confident	65	Low	100 Å²	100	105 Å²	105	52%	0.524	56%	0.559	S	S	.	*	H	α-helix	trans	-65.9	-30.6	178.9	-70	170.3	0	0	0	113.7	L340 N342 S347	L340-L344 WeakPolarHBondContact O-CB 3.39Å; L340-L344 VanDerWaalsContact O-CG 3.27Å; L340-L344 WeakPolarHBondContact O-CG 3.38Å; L340-L344 PolarHBondContact O-N 3.11Å; N342-L344 VanDerWaalsContact C-N 3.33Å; N342-L344 PolarHBondContact O-N 3.42Å; L344-S347 WeakPolarHBondContact CA-OG 3.09Å; L344-S347 PolarHBondContact O-OG 3.21Å
345	R	66.1	Low	63	Low	195 Å²	195	102.9 Å²	102.9	74%	0.736	56%	0.56	S	S	*	*	H	α-helix	trans	-68.7	-35.4	173	-80.4	172.2	-179.6	-168.1	-1	112.4	C341 N342 V343	C341-R345 WeakPolarHBondContact O-CB 3.46Å; C341-R345 VanDerWaalsContact O-CG 3.22Å; C341-R345 WeakPolarHBondContact O-CG 3.48Å; C341-R345 PolarHBondContact O-N 3.04Å; N342-R345 PolarHBondContact O-N 3.28Å; V343-R345 VanDerWaalsContact C-N 3.33Å; V343-R345 PolarHBondContact O-N 2.93Å
346	Y	56.4	Low	60.9	Low	192 Å²	192	100.3 Å²	100.3	75%	0.753	56%	0.56	S	S	*	*	H	α-helix	trans	-87.3	-20	178.6	-64.2	-61.9	0	0	0	113.6	N342 V343 N348	N342-Y346 WeakPolarHBondContact O-CD2 3.31Å; N342-Y346 PolarHBondContact O-N 2.81Å; V343-Y346 PolarHBondContact O-N 2.97Å; Y346-N348 VanDerWaalsContact C-N 3.31Å; Y346-N348 PolarHBondContact O-N 3.14Å
347	S	54.8	Low	58.6	Low	64 Å²	64	103.1 Å²	103.1	45%	0.448	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.9	-11	175.5	64.9	0	0	0	0	114.5	V343 L344	V343-S347 PolarHBondContact O-N 3.44Å; V343-S347 PolarHBondContact O-OG 3.41Å; L344-S347 WeakPolarHBondContact CA-OG 3.09Å; L344-S347 PolarHBondContact O-OG 3.21Å
348	N	49.5	Very low	56.3	Low	93 Å²	93	101.8 Å²	101.8	50%	0.497	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.9	7.2	-171.1	-77.1	5.7	0	0	0	115.1	Y346 N350	Y346-N348 VanDerWaalsContact C-N 3.31Å; Y346-N348 PolarHBondContact O-N 3.14Å; N348-N350 PolarHBondContact O-N 3.41Å
349	S	49.2	Very low	54.1	Low	88 Å²	88	106.5 Å²	106.5	62%	0.615	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-24.4	178.8	61.2	0	0	0	0	113.7
350	N	44.1	Very low	52.3	Low	126 Å²	126	109.6 Å²	109.6	67%	0.674	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.9	3.8	-169.2	-63.9	10	0	0	0	114.7	N348 T354	N348-N350 PolarHBondContact O-N 3.41Å; N350-T354 PolarHBondContact O-OG1 3.06Å
351	L	43.4	Very low	50	Low	109 Å²	109	110.8 Å²	110.8	57%	0.571	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	-20.6	175.7	-71.5	173.3	0	0	0	113.6	A353	L351-A353 VanDerWaalsContact C-N 3.28Å; L351-A353 PolarHBondContact O-N 3.18Å
352	A	43	Very low	48	Very low	65 Å²	65	116.6 Å²	116.6	54%	0.537	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.9	-16.4	174.3	0	0	0	0	0	113.4	N356	A352-N356 PolarHBondContact O-ND2 3.17Å; A352-N356 VanDerWaalsContact O-ND2 3.14Å
353	A	38.2	Very low	46.2	Very low	68 Å²	68	120.7 Å²	120.7	56%	0.562	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-28.3	176.7	0	0	0	0	0	113	L351	L351-A353 VanDerWaalsContact C-N 3.28Å; L351-A353 PolarHBondContact O-N 3.18Å
354	T	38.5	Very low	44.3	Very low	100 Å²	100	125.1 Å²	125.1	61%	0.613	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-18.9	-174.8	7	0	0	0	0	114.2	N350	N350-T354 PolarHBondContact O-OG1 3.06Å
355	L	42.4	Very low	42.6	Very low	130 Å²	130	124.7 Å²	124.7	68%	0.681	68%	0.678	S	S	*	*	S	Bend	trans	-93.4	-8.1	178.8	-85.8	160.4	0	0	0	114.5
356	N	39	Very low	41	Very low	131 Å²	131	121 Å²	121	70%	0.701	68%	0.682	S	S	*	*	S	Bend	trans	-97.9	-0.3	-178	-75.5	-21.4	0	0	0	114.4	A352	A352-N356 PolarHBondContact O-ND2 3.17Å; A352-N356 VanDerWaalsContact O-ND2 3.14Å
357	N	37.5	Very low	40.1	Very low	139 Å²	139	117.1 Å²	117.1	74%	0.743	68%	0.683	S	S	*	*	S	Bend	trans	-109.9	14.5	-178	-80.4	10.5	0	0	0	114.1
358	S	38.4	Very low	39	Very low	84 Å²	84	121.1 Å²	121.1	59%	0.587	70%	0.699	S	S	*	*	S	Bend	trans	-118.8	7.5	-177.6	66.3	0	0	0	0	115.7
359	N	34.3	Very low	38.4	Very low	164 Å²	164	122.8 Å²	122.8	88%	0.877	72%	0.715	S	S	*	*			trans	-106.7	79.1	167.3	-88.7	15	0	0	0	109.5
360	I	39.4	Very low	38.1	Very low	134 Å²	134	124.4 Å²	124.4	69%	0.687	72%	0.721	S	S	*	*			trans	-112.9	129.1	166.4	-65.8	173.7	0	0	0	106.3
361	N	34.2	Very low	37.8	Very low	124 Å²	124	126 Å²	126	66%	0.663	72%	0.724	S	S	*	*			trans	64.3	101	179.6	-56.6	-8.6	0	0	0	116
362	D	35.4	Very low	37.5	Very low	174 Å²	174	130.3 Å²	130.3	93%	0.93	74%	0.739	S	S	*	*				-125.6	136.6	129.5	-105.2	-38	0	0	0	108.4
363	H	38.2	Very low	37.3	Very low	162 Å²	162	133.7 Å²	133.7	75%	0.75	75%	0.748	S	S	*	*			trans	-86.3	160.6	-160	-93.8	-97.9	0	0	0	114.7
364	H	37.2	Very low	37.1	Very low	185 Å²	185	138.4 Å²	138.4	86%	0.856	76%	0.758	S	S	*	*			trans	-63.8	165.1	165.2	-72.9	-106.7	0	0	0	112.9
365	A	35.8	Very low	36.9	Very low	92 Å²	92	142.5 Å²	142.5	76%	0.76	77%	0.77	S	S	*	*			trans	74.5	124.6	177	0	0	0	0	0	114.6
366	S	32.3	Very low	36.6	Very low	118 Å²	118	141.4 Å²	141.4	83%	0.825	77%	0.771	S	S	*	*			cis	66.2	71.6	27.7	-169.4	0	0	0	0	115.5
367	S	37.8	Very low	36.7	Very low	110 Å²	110	142.6 Å²	142.6	77%	0.769	78%	0.775	S	S	*	*			trans	-165.1	142.6	134.9	-4.4	0	0	0	0	112
368	D	31.3	Very low	36.3	Very low	147 Å²	147	143.6 Å²	143.6	79%	0.786	78%	0.781	S	S	*	*			trans	43.1	136.2	160.9	-67.6	-34.5	0	0	0	124.3
369	P	36.8	Very low	36.2	Very low	128 Å²	128	144.9 Å²	144.9	83%	0.831	79%	0.79	S	S	*	*			trans	-90.3	123.7	162.7	35	-27.7	0	0	0	111.1
370	V	42.9	Very low	36.2	Very low	122 Å²	122	142.5 Å²	142.5	74%	0.739	79%	0.786	S	S	*	*			trans	-120.3	134.2	171.7	-176.7	0	0	0	0	110.6
371	H	37.1	Very low	35.7	Very low	159 Å²	159	143.5 Å²	143.5	74%	0.736	79%	0.792	S	S	*	*			trans	-54.6	145.1	177.1	-137.2	-93.7	0	0	0	112.1	D373	H371-D373 IonicContact ND1-OD1 3.37Å
372	F	38.2	Very low	35.6	Very low	200 Å²	200	142.9 Å²	142.9	88%	0.877	80%	0.797	S	S	*	*			trans	-134.8	136.6	160.4	-101	-81.4	0	0	0	110.2
373	D	38.4	Very low	35.4	Very low	136 Å²	136	140.1 Å²	140.1	73%	0.727	79%	0.787	S	S	*	*			trans	-84	152.7	-170.4	-76.8	-39.8	0	0	0	114.7	H371	H371-D373 IonicContact ND1-OD1 3.37Å
374	E	34.8	Very low	35.1	Very low	168 Å²	168	139.4 Å²	139.4	79%	0.785	79%	0.788	S	S	*	*			trans	-12.5	121.1	150.3	-172.2	169.1	-138.7	0	0	118.3
375	H	34.3	Very low	34.7	Very low	186 Å²	186	136.3 Å²	136.3	86%	0.861	79%	0.787	S	S	*	*			trans	-147.5	122.4	144.5	-88.3	-41.6	0	0	0	110.8
376	P	36.4	Very low	34.6	Very low	107 Å²	107	138 Å²	138	70%	0.695	79%	0.787	S	S	*	*			trans	-83.9	138.9	172	33.3	-31.9	0	0	0	110.7
377	I	39.6	Very low	34.4	Very low	155 Å²	155	140.8 Å²	140.8	80%	0.795	79%	0.787	S	S	*	*			trans	-106.4	103	170.5	-61.6	177.7	0	0	0	108.4
378	D	30.4	Very low	34.2	Very low	160 Å²	160	141.2 Å²	141.2	86%	0.856	79%	0.785	S	S	*	*			trans	-62.1	137.5	159.8	-81.3	-47.9	0	0	0	109.6
379	S	36.1	Very low	34.2	Very low	112 Å²	112	141 Å²	141	78%	0.783	78%	0.784	S	S	*	*			trans	-143	115.3	163.3	-78.3	0	0	0	0	109.3
380	S	34.5	Very low	34	Very low	113 Å²	113	142.4 Å²	142.4	79%	0.79	79%	0.785	S	S	*	*			trans	-75.2	148.2	-161.9	51.5	0	0	0	0	114.9
381	L	29	Very low	33.5	Very low	156 Å²	156	141.8 Å²	141.8	82%	0.817	78%	0.783	S	S	*	*			trans	9.6	127.2	143	-104.8	76.3	0	0	0	118.2
382	S	30.3	Very low	33.2	Very low	110 Å²	110	140.6 Å²	140.6	77%	0.769	79%	0.787	S	S	*	*			trans	-150.4	97.9	133.3	-173.7	0	0	0	0	110.5
383	T	31.8	Very low	33.2	Very low	117 Å²	117	140.7 Å²	140.7	72%	0.718	79%	0.787	S	S	*	*			trans	-78.2	117.5	164.2	45.6	0	0	0	0	109
384	L	31.8	Very low	33	Very low	147 Å²	147	142.8 Å²	142.8	77%	0.77	79%	0.792	S	S	*	*			trans	-117.5	109	167.2	-137.2	86	0	0	0	110.3	V386	L384-V386 HydrophobicContact CD2-CG2 4.35Å
385	S	28.5	Very low	32.9	Very low	119 Å²	119	140.5 Å²	140.5	83%	0.832	79%	0.785	S	S	*	*			trans	-84.9	118.1	172.1	-48.2	0	0	0	0	109.2
386	V	33.7	Very low	33.3	Very low	127 Å²	127	137.4 Å²	137.4	77%	0.77	77%	0.774	S	S	*	*			trans	-139.4	114.3	166	-179.1	0	0	0	0	108.5	L384	L384-V386 HydrophobicContact CD2-CG2 4.35Å
387	E	28.9	Very low	33.4	Very low	177 Å²	177	137.6 Å²	137.6	83%	0.827	77%	0.765	S	S	*	*			trans	-78.8	173.4	167.5	-67.9	-177	121.7	0	0	111
388	V	34.5	Very low	33	Very low	119 Å²	119	134.4 Å²	134.4	72%	0.721	76%	0.757	S	S	*	*			trans	88	99.1	162.8	-165.5	0	0	0	0	117.1
389	N	29.8	Very low	33.1	Very low	143 Å²	143	132.7 Å²	132.7	77%	0.765	76%	0.756	S	S	*	*			trans	44.8	101.8	139.2	-49	-16.1	0	0	0	120.1
390	D	32.6	Very low	32.8	Very low	158 Å²	158	135.3 Å²	135.3	85%	0.845	76%	0.756	S	S	*	*				-175.7	163.5	100.4	-108.2	-26.3	0	0	0	110.8
391	P	32.9	Very low	32.7	Very low	109 Å²	109	137.3 Å²	137.3	71%	0.708	76%	0.757	S	S	*	*			trans	-81	170.6	-171.9	33.5	-35.7	0	0	0	113.7
392	V	31.6	Very low	32.8	Very low	134 Å²	134	135 Å²	135	81%	0.812	75%	0.754	S	S	*	*			trans	91.6	95.2	178.7	-171.7	0	0	0	0	115.4
393	K	37.4	Very low	32.9	Very low	201 Å²	201	138.4 Å²	138.4	87%	0.874	76%	0.758	S	S	*	*				-171.4	153.1	122.3	-104.9	163.7	-174	177.2	0	112.7	N395	K393-N395 PolarHBondContact O-N 3.16Å
394	E	33.9	Very low	32.8	Very low	181 Å²	181	140.5 Å²	140.5	85%	0.846	77%	0.765	S	S	*	*			trans	-63.5	116.4	-179.3	-62.6	163	121.4	0	0	110.9	I396	E394-I396 PolarHBondContact O-N 2.94Å
395	N	33.5	Very low	33.1	Very low	119 Å²	119	140.4 Å²	140.4	64%	0.636	77%	0.765	S	S	*	*			trans	-96.9	89.8	172.3	-129.1	-3.2	0	0	0	109	K393 H397	K393-N395 PolarHBondContact O-N 3.16Å; N395-H397 VanDerWaalsContact C-N 3.29Å; N395-H397 PolarHBondContact ND2-CE1 3.15Å; N395-H397 PolarHBondContact O-N 3.11Å
396	I	41.3	Very low	34	Very low	121 Å²	121	141.1 Å²	141.1	62%	0.621	77%	0.765	S	S	*	*			trans	-71.1	88.2	171.3	-57.8	175.6	0	0	0	107.7	E394 S398	E394-I396 PolarHBondContact O-N 2.94Å; I396-S398 PolarHBondContact O-N 3.41Å; I396-S398 VanDerWaalsContact O-N 3.13Å
397	H	38.8	Very low	35.5	Very low	111 Å²	111	139.2 Å²	139.2	51%	0.514	75%	0.749	S	S	.	*			trans	-79.5	90.9	169.5	-82.3	21.9	0	0	0	109.9	N395 C399 F411	N395-H397 VanDerWaalsContact C-N 3.29Å; N395-H397 PolarHBondContact ND2-CE1 3.15Å; N395-H397 PolarHBondContact O-N 3.11Å; H397-C399 VanDerWaalsContact C-N 3.33Å; H397-C399 PolarHBondContact O-N 3.41Å; H397-F411 HydrophobicContact CB-CE2 4.24Å
398	S	30.9	Very low	37.9	Very low	89 Å²	89	137.3 Å²	137.3	62%	0.622	74%	0.744	S	S	*	*			trans	-66.2	90.6	164.5	53.8	0	0	0	0	109.7	I396 H400	I396-S398 PolarHBondContact O-N 3.41Å; I396-S398 VanDerWaalsContact O-N 3.13Å; S398-H400 VanDerWaalsContact C-N 3.25Å; S398-H400 PolarHBondContact O-N 3.48Å
399	C	33.2	Very low	40.4	Very low	124 Å²	124	133.5 Å²	133.5	84%	0.838	72%	0.722	S	S	*	*			trans	-66	87.7	168.4	-74	0	0	0	0	109.7	H397 N401	H397-C399 VanDerWaalsContact C-N 3.33Å; H397-C399 PolarHBondContact O-N 3.41Å; C399-N401 PolarHBondContact O-N 3.2Å; C399-N401 VanDerWaalsContact O-N 3.1Å
400	H	30.7	Very low	43.2	Very low	167 Å²	167	130.2 Å²	130.2	77%	0.773	70%	0.699	S	S	*	*			trans	-58.3	110.4	164.8	-96.6	-99.2	0	0	0	109.2	S398	S398-H400 VanDerWaalsContact C-N 3.25Å; S398-H400 PolarHBondContact O-N 3.48Å
401	N	31.8	Very low	46	Very low	155 Å²	155	127 Å²	127	83%	0.829	68%	0.678	S	S	*	*			trans	-163.1	131.2	142.1	-98.1	-31.3	0	0	0	111.2	C399	C399-N401 PolarHBondContact O-N 3.2Å; C399-N401 VanDerWaalsContact O-N 3.1Å
402	S	30.1	Very low	48.8	Very low	108 Å²	108	122 Å²	122	76%	0.755	65%	0.645	S	S	*	*	S	Bend	trans	56.7	107.4	171.3	55.7	0	0	0	0	119.3
403	Q	32.9	Very low	51.6	Low	181 Å²	181	119.3 Å²	119.3	85%	0.846	63%	0.63	S	S	*	*	S	Bend	trans	63.9	100	142.3	-64.9	177.3	-19.4	0	0	119.6	N405	Q403-N405 PolarHBondContact O-N 2.9Å
404	N	29.8	Very low	54.2	Low	160 Å²	160	109.9 Å²	109.9	86%	0.856	59%	0.588	S	S	*	*	S	Bend	trans	56.9	43.1	135.2	-58	3.6	0	0	0	118.2
405	N	38.2	Very low	56.8	Low	145 Å²	145	105.6 Å²	105.6	78%	0.775	58%	0.575	S	S	*	*			trans	-167.8	103.5	139.1	-97	-35.7	0	0	0	106.9	Q403 I407	Q403-N405 PolarHBondContact O-N 2.9Å; N405-I407 HydrophobicContact CB-CG1 4.45Å; N405-I407 PolarHBondContact O-N 3.17Å
406	T	47.7	Very low	59.3	Low	135 Å²	135	100.9 Å²	100.9	83%	0.828	55%	0.548	S	S	*	.			trans	-70.9	85.8	173	42.2	0	0	0	0	109.1	L408	T406-L408 PolarHBondContact O-N 3.43Å
407	I	64.4	Low	61.3	Low	87 Å²	87	100 Å²	100	45%	0.446	55%	0.55	S	S	.	*			trans	-68.2	100.2	174.7	-53.5	175.8	0	0	0	107.3	N405 S409 I489	N405-I407 HydrophobicContact CB-CG1 4.45Å; N405-I407 PolarHBondContact O-N 3.17Å; I407-S409 PolarHBondContact O-N 3.19Å; I407-I489 HydrophobicContact CG2-CB 4.14Å; I407-I489 HydrophobicContact CG2-CD1 3.67Å; I407-I489 HydrophobicContact CG2-CG1 3.79Å; I407-I489 HydrophobicContact CG2-CG2 3.28Å
408	L	79	Confident	63.5	Low	137 Å²	137	98.7 Å²	98.7	72%	0.717	55%	0.547	S	S	*	.			trans	-62.1	102.5	179.6	-73.8	163.9	0	0	0	109.8	T406	T406-L408 PolarHBondContact O-N 3.43Å
409	S	87.3	Confident	66.2	Low	38 Å²	38	98.5 Å²	98.5	27%	0.266	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	142.3	168.3	53.6	0	0	0	0	110.1	I407 I488	I407-S409 PolarHBondContact O-N 3.19Å; S409-I488 CarbonylContact C-O 3.52Å; S409-I488 WeakPolarHBondContact CA-O 3.14Å
410	R	90.2	Very high	68.7	Low	74 Å²	74	99.6 Å²	99.6	28%	0.279	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.6	171.8	60	176.9	173.2	173.1	-1.1	110.5	V412 E451 D456 I488	R410-V412 HydrophobicContact CG-CG2 4.31Å; R410-E451 PolarHBondContact NE-O 3.23Å; R410-E451 PolarHBondContact NH1-O 3.33Å; R410-E451 VanDerWaalsContact NH1-O 3.08Å; R410-E451 PolarHBondContact NH2-O 3.01Å; R410-E451 VanDerWaalsContact NH2-O 3.08Å; R410-D456 IonicContact CZ-OD2 2.6Å; R410-D456 IonicContact NE-OD2 2.66Å; R410-D456 IonicContact NH2-OD1 3.7Å; R410-D456 IonicContact NH2-OD2 3.96Å; R410-D456 PolarHBondContact NH2-OD2 3.02Å; R410-I488 HydrophobicContact CG-CB 4.04Å; R410-I488 PolarHBondContact N-O 2.85Å; R410-I488 PolarHBondContact O-N 3.41Å
411	F	91.4	Very high	71.4	Confident	92 Å²	92	93.6 Å²	93.6	40%	0.404	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.8	174.2	-60.4	-80.5	0	0	0	108.8	H397 L486 T487	H397-F411 HydrophobicContact CB-CE2 4.24Å; F411-L486 CarbonylContact C-O 3.54Å; F411-L486 WeakPolarHBondContact CA-O 3.35Å; F411-T487 HydrophobicContact CD1-CG2 4.03Å; F411-T487 WeakPolarHBondContact CD1-OG1 3.47Å; F411-T487 HydrophobicContact CE1-CG2 3.66Å; F411-T487 WeakPolarHBondContact CE1-OG1 3.42Å; F411-T487 HydrophobicContact CZ-CG2 4.22Å
412	V	91.1	Very high	74.1	Confident	2 Å²	2	90.9 Å²	90.9	1%	0.012	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.9	-176.5	173.3	0	0	0	0	108.4	R410 L414 E451 I452 L486 I488	R410-V412 HydrophobicContact CG-CG2 4.31Å; V412-L414 HydrophobicContact CG1-CD2 3.83Å; V412-L414 HydrophobicContact CG1-CG 4.33Å; V412-E451 HydrophobicContact CG1-CB 3.91Å; V412-E451 HydrophobicContact CG2-CB 4.08Å; V412-E451 WeakPolarHBondContact CG2-O 3.42Å; V412-I452 HydrophobicContact CG1-CD1 3.99Å; V412-I452 HydrophobicContact CG1-CG1 3.9Å; V412-L486 PolarHBondContact N-O 3.24Å; V412-L486 PolarHBondContact O-N 2.86Å; V412-I488 HydrophobicContact CB-CD1 4.07Å; V412-I488 HydrophobicContact CG2-CD1 3.97Å
413	T	90.9	Very high	77	Confident	79 Å²	79	86.5 Å²	86.5	49%	0.485	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	110.5	177.1	-57.3	0	0	0	0	109	T483	T413-T483 HydrophobicContact CG2-CG2 3.71Å
414	L	90.4	Very high	79.8	Confident	2 Å²	2	78.4 Å²	78.4	1%	0.01	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	128.6	174	-62.3	-171.1	0	0	0	110.5	V412 F423 L425 F443 I452 T483 L484 L486	V412-L414 HydrophobicContact CG1-CD2 3.83Å; V412-L414 HydrophobicContact CG1-CG 4.33Å; L414-F423 HydrophobicContact CB-CD1 3.84Å; L414-F423 HydrophobicContact CB-CE1 3.79Å; L414-F423 HydrophobicContact CD1-CD1 4.25Å; L414-L425 HydrophobicContact CD1-CD1 3.91Å; L414-L425 HydrophobicContact CD1-CG 4.33Å; L414-F443 HydrophobicContact CD1-CE2 4.12Å; L414-F443 HydrophobicContact CD2-CE2 3.72Å; L414-F443 HydrophobicContact CD2-CZ 4.03Å; L414-I452 HydrophobicContact CD1-CD1 3.78Å; L414-I452 HydrophobicContact CD2-CD1 3.83Å; L414-I452 HydrophobicContact CG-CD1 4.08Å; L414-T483 CarbonylContact O-C 3.49Å; L414-T483 VanDerWaalsContact O-CA 3.26Å; L414-T483 WeakPolarHBondContact O-CA 3.37Å; L414-L484 HydrophobicContact CB-CB 4.46Å; L414-L484 PolarHBondContact N-O 3.1Å; L414-L484 PolarHBondContact O-N 3.29Å; L414-L486 HydrophobicContact CD1-CD1 3.62Å; L414-L486 HydrophobicContact CG-CD1 3.99Å
415	T	88.3	Confident	82.8	Confident	92 Å²	92	72.1 Å²	72.1	56%	0.564	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.4	171.3	52.1	0	0	0	0	109.7	T483	T415-T483 HydrophobicContact CG2-CG2 3.85Å
416	R	86.7	Confident	85.5	Confident	20 Å²	20	70.5 Å²	70.5	8%	0.075	38%	0.384	C	S	.	.			trans	-119.6	154.1	168.9	54.3	-177.8	174.5	144.7	11	110.3	D418 L419 E421 F423 F478 Q479 S481 Q482	R416-D418 VanDerWaalsContact CD-O 3.29Å; R416-D418 WeakPolarHBondContact CD-O 3.27Å; R416-L419 PolarHBondContact NH1-O 3.37Å; R416-L419 PolarHBondContact NH2-O 3.36Å; R416-E421 WeakPolarHBondContact CD-O 3.35Å; R416-E421 PolarHBondContact NH1-O 3.08Å; R416-F423 HydrophobicContact CB-CD1 4.3Å; R416-F423 HydrophobicContact CB-CE1 4.06Å; R416-F423 HydrophobicContact CG-CD1 4.29Å; R416-F423 HydrophobicContact CG-CE1 3.75Å; R416-F423 HydrophobicContact CG-CE2 4.22Å; R416-F423 HydrophobicContact CG-CZ 3.71Å; R416-F478 PolarHBondContact NH2-O 3.27Å; R416-F478 VanDerWaalsContact NH2-O 3.14Å; R416-Q479 PolarHBondContact NH2-O 3.32Å; R416-S481 VanDerWaalsContact CZ-O 3.29Å; R416-S481 PolarHBondContact NE-O 2.94Å; R416-S481 PolarHBondContact NH2-O 3.06Å; R416-Q482 WeakPolarHBondContact CG-O 3.21Å; R416-Q482 PolarHBondContact N-O 3.27Å; R416-Q482 VanDerWaalsContact N-O 3.16Å; R416-Q482 VanDerWaalsContact O-CD 3.25Å; R416-Q482 PolarHBondContact O-NE2 3.11Å
417	P	82.6	Confident	87.7	Confident	102 Å²	102	65.8 Å²	65.8	66%	0.662	36%	0.355	S	S	*	.	S	Bend	trans	-78.1	-26.5	179.6	30.9	-34.8	0	0	0	112.8	Q482	P417-Q482 PolarHBondContact O-NE2 3.27Å
418	D	85.5	Confident	89.1	Confident	84 Å²	84	66.1 Å²	66.1	45%	0.449	36%	0.357	S	S	.	.			trans	-134.6	142	-174.4	-169	-9.3	0	0	0	110.7	R416 D420 E421	R416-D418 VanDerWaalsContact CD-O 3.29Å; R416-D418 WeakPolarHBondContact CD-O 3.27Å; D418-D420 VanDerWaalsContact C-N 3.26Å; D418-D420 PolarHBondContact O-N 3.46Å; D418-D420 PolarHBondContact OD1-N 3.16Å; D418-E421 HydrophobicContact CB-CB 4.49Å; D418-E421 PolarHBondContact O-N 3.06Å
419	L	88.1	Confident	89.8	Confident	85 Å²	85	65.8 Å²	65.8	45%	0.445	35%	0.349	S	S	.	.	S	Bend	trans	-70.4	-22.6	175.3	-73.3	172.8	0	0	0	112.4	R416 Q482	R416-L419 PolarHBondContact NH1-O 3.37Å; R416-L419 PolarHBondContact NH2-O 3.36Å; L419-Q482 HydrophobicContact CD2-CB 4.2Å
420	D	86.7	Confident	90	Very high	146 Å²	146	65.3 Å²	65.3	78%	0.781	35%	0.346	S	S	*	.	S	Bend	trans	-80.2	-19.5	176.9	-76.8	-19.2	0	0	0	113	D418	D418-D420 VanDerWaalsContact C-N 3.26Å; D418-D420 PolarHBondContact O-N 3.46Å; D418-D420 PolarHBondContact OD1-N 3.16Å
421	E	85.7	Confident	89.9	Confident	42 Å²	42	68.7 Å²	68.7	20%	0.196	37%	0.365	C	S	.	.	S	Bend	trans	-87.5	124.1	178	-179.8	161.2	-134.1	0	0	112	R416 D418 R442	R416-E421 WeakPolarHBondContact CD-O 3.35Å; R416-E421 PolarHBondContact NH1-O 3.08Å; D418-E421 HydrophobicContact CB-CB 4.49Å; D418-E421 PolarHBondContact O-N 3.06Å; E421-R442 WeakPolarHBondContact OE1-CD 3.35Å; E421-R442 IonicContact OE1-CZ 2.71Å; E421-R442 IonicContact OE1-NE 3.53Å; E421-R442 IonicContact OE1-NH1 3.91Å; E421-R442 PolarHBondContact OE1-NH1 3.23Å
422	P	89.4	Confident	89.7	Confident	97 Å²	97	67.7 Å²	67.7	63%	0.63	36%	0.362	S	S	*	.			trans	-69.6	141.2	176.8	28.6	-35.6	0	0	0	112	G424	P422-G424 PolarHBondContact O-N 3.23Å
423	F	90.6	Very high	89.8	Confident	17 Å²	17	67.6 Å²	67.6	8%	0.075	36%	0.361	C	S	.	.			trans	-53.6	-17.9	172.4	-72.6	-80	0	0	0	114.7	L414 R416 L425 F443 F478 S481 Q482 L484	L414-F423 HydrophobicContact CB-CD1 3.84Å; L414-F423 HydrophobicContact CB-CE1 3.79Å; L414-F423 HydrophobicContact CD1-CD1 4.25Å; R416-F423 HydrophobicContact CB-CD1 4.3Å; R416-F423 HydrophobicContact CB-CE1 4.06Å; R416-F423 HydrophobicContact CG-CD1 4.29Å; R416-F423 HydrophobicContact CG-CE1 3.75Å; R416-F423 HydrophobicContact CG-CE2 4.22Å; R416-F423 HydrophobicContact CG-CZ 3.71Å; F423-L425 PolarHBondContact O-N 2.97Å; F423-F443 WeakPolarHBondContact O-CD2 3.17Å; F423-F478 HydrophobicContact CB-CD1 4.42Å; F423-F478 HydrophobicContact CD2-CB 4.49Å; F423-F478 AromaticContact CD2-CD1 3.95Å; F423-F478 HydrophobicContact CD2-CD1 3.95Å; F423-F478 WeakPolarHBondContact CE2-O 3.45Å; F423-F478 HydrophobicContact CG-CD1 4.47Å; F423-S481 WeakPolarHBondContact CE2-O 3.2Å; F423-S481 WeakPolarHBondContact CZ-O 3.48Å; F423-Q482 WeakPolarHBondContact CZ-O 3.49Å; F423-L484 HydrophobicContact CD2-CD1 3.69Å; F423-L484 HydrophobicContact CE1-CD1 4.34Å; F423-L484 HydrophobicContact CE2-CD1 3.36Å; F423-L484 HydrophobicContact CE2-CG 3.86Å; F423-L484 HydrophobicContact CG-CD1 4.31Å; F423-L484 HydrophobicContact CZ-CB 4.47Å; F423-L484 HydrophobicContact CZ-CD1 3.72Å; F423-L484 HydrophobicContact CZ-CG 3.81Å
424	G	91.1	Very high	90	Very high	10 Å²	10	64 Å²	64	10%	0.103	34%	0.339	C	S	.	.			trans	82.4	8.9	171.4	0	0	0	0	0	116.2	P422 L439 S440	P422-G424 PolarHBondContact O-N 3.23Å; G424-L439 CarbonylContact O-C 3.52Å; G424-S440 WeakPolarHBondContact CA-OG 3.46Å; G424-S440 PolarHBondContact O-N 2.91Å
425	L	93.3	Very high	90.2	Very high	28 Å²	28	66.7 Å²	66.7	15%	0.147	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	137.1	170.6	-56	-168.9	0	0	0	111.4	L414 F423 L439 F443 I452 I458 F478 L486	L414-L425 HydrophobicContact CD1-CD1 3.91Å; L414-L425 HydrophobicContact CD1-CG 4.33Å; F423-L425 PolarHBondContact O-N 2.97Å; L425-L439 HydrophobicContact CD2-CD2 3.38Å; L425-F443 HydrophobicContact CD2-CD1 4.35Å; L425-F443 HydrophobicContact CD2-CD2 4.15Å; L425-F443 HydrophobicContact CD2-CE1 4.13Å; L425-F443 HydrophobicContact CD2-CE2 3.89Å; L425-F443 HydrophobicContact CD2-CG 4.36Å; L425-F443 HydrophobicContact CD2-CZ 3.89Å; L425-I452 HydrophobicContact CD1-CD1 3.93Å; L425-I452 HydrophobicContact CD2-CD1 4.17Å; L425-I452 HydrophobicContact CD2-CG2 4.2Å; L425-I458 HydrophobicContact CD1-CD1 4.04Å; L425-F478 HydrophobicContact CD1-CE1 4.18Å; L425-L486 HydrophobicContact CD1-CD1 4.07Å
426	F	94.2	Very high	90.5	Very high	111 Å²	111	62.4 Å²	62.4	49%	0.487	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	113.7	170.7	-62.6	-97.1	0	0	0	109.8	T437 R438	F426-T437 PolarHBondContact O-N 2.84Å; F426-T437 PolarHBondContact O-OG1 3.27Å; F426-R438 HydrophobicContact CB-CB 3.88Å; F426-R438 HydrophobicContact CD2-CB 3.84Å; F426-R438 HydrophobicContact CG-CB 4.06Å; F426-R438 PolarHBondContact N-O 2.93Å; F426-R438 PolarHBondContact O-N 3.31Å
427	V	94.7	Very high	90.9	Very high	37 Å²	37	63.9 Å²	63.9	22%	0.224	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	152.8	-173.7	-62	0	0	0	0	113.4	Y434 R435 V436 I458 I471 L474	V427-Y434 HydrophobicContact CB-CD1 4.39Å; V427-Y434 HydrophobicContact CG2-CD1 3.89Å; V427-Y434 HydrophobicContact CG2-CG 4.37Å; V427-R435 CarbonylContact C-O 3.55Å; V427-R435 WeakPolarHBondContact CA-O 3.41Å; V427-V436 HydrophobicContact CG1-CG2 4.24Å; V427-I458 HydrophobicContact CG1-CD1 4.05Å; V427-I471 HydrophobicContact CG2-CD1 4.3Å; V427-L474 HydrophobicContact CG2-CD2 4.1Å
428	I	93.9	Very high	91.4	Very high	93 Å²	93	67.5 Å²	67.5	48%	0.477	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	148.3	164.9	64	178.2	0	0	0	109.4	S430 Y434 R435 T437	I428-S430 PolarHBondContact O-N 3.31Å; I428-Y434 CarbonylContact O-C 3.55Å; I428-Y434 WeakPolarHBondContact O-CA 3.37Å; I428-R435 HydrophobicContact CG1-CB 4.1Å; I428-R435 PolarHBondContact N-O 3.2Å; I428-R435 PolarHBondContact O-N 3.41Å; I428-T437 HydrophobicContact CB-CG2 4.14Å; I428-T437 HydrophobicContact CD1-CG2 3.69Å; I428-T437 HydrophobicContact CG1-CG2 3.59Å; I428-T437 HydrophobicContact CG2-CG2 3.66Å
429	K	93.8	Very high	91.7	Very high	130 Å²	130	64.9 Å²	64.9	57%	0.565	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	131.6	172.3	-174.5	161.1	-175.3	155.6	0	109.8	Y434	K429-Y434 HydrophobicContact CB-CD1 4.34Å; K429-Y434 HydrophobicContact CB-CE1 3.98Å; K429-Y434 HydrophobicContact CG-CE1 4.43Å
430	S	91.2	Very high	91.9	Very high	29 Å²	29	62.2 Å²	62.2	20%	0.203	31%	0.309	C	S	.	.			trans	-120.7	-167.6	177.9	57.5	0	0	0	0	110	I428 G433 Y434 E457	I428-S430 PolarHBondContact O-N 3.31Å; S430-G433 PolarHBondContact N-O 3.29Å; S430-G433 PolarHBondContact OG-O 2.93Å; S430-G433 VanDerWaalsContact OG-O 3.11Å; S430-Y434 PolarHBondContact OG-N 3.44Å; S430-E457 WeakPolarHBondContact CB-OE1 3.39Å; S430-E457 WeakPolarHBondContact OG-CG 3.5Å; S430-E457 PolarHBondContact OG-OE1 3.18Å
431	E	87.9	Confident	91.9	Very high	145 Å²	145	62.2 Å²	62.2	68%	0.678	30%	0.304	S	S	*	.	S	Bend	trans	-75.1	-42.5	-175.5	-179.8	-179	-145	0	0	112.4	R491	E431-R491 IonicContact OE2-CZ 3.6Å; E431-R491 IonicContact OE2-NH1 2.69Å; E431-R491 IonicContact OE2-NH2 2.68Å; E431-R491 PolarHBondContact OE2-NH2 3.23Å; E431-R491 VanDerWaalsContact OE2-NH2 3.08Å
432	Q	87.3	Confident	91.8	Very high	71 Å²	71	67.4 Å²	67.4	33%	0.332	32%	0.322	S	S	.	.	S	Bend	trans	-100	-8.1	-177.9	-68.3	166.1	-30.8	0	0	112.7	E457 I459	Q432-E457 WeakPolarHBondContact CB-OE1 3.31Å; Q432-E457 PolarHBondContact N-OE1 2.87Å; Q432-I459 HydrophobicContact CB-CG2 3.98Å
433	G	92.8	Very high	91.7	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	169.4	-119	-176.1	0	0	0	0	0	114.1	S430 I458 S466	S430-G433 PolarHBondContact N-O 3.29Å; S430-G433 PolarHBondContact OG-O 2.93Å; S430-G433 VanDerWaalsContact OG-O 3.11Å; G433-I458 WeakPolarHBondContact CA-O 3.27Å; G433-S466 WeakPolarHBondContact CA-OG 3.46Å
434	Y	95.2	Very high	91.4	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.016	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	117.5	-177.2	-74.5	-88.5	0	0	0	112	V427 I428 K429 S430 I458 S466 F469 T470 I471 L474	V427-Y434 HydrophobicContact CB-CD1 4.39Å; V427-Y434 HydrophobicContact CG2-CD1 3.89Å; V427-Y434 HydrophobicContact CG2-CG 4.37Å; I428-Y434 CarbonylContact O-C 3.55Å; I428-Y434 WeakPolarHBondContact O-CA 3.37Å; K429-Y434 HydrophobicContact CB-CD1 4.34Å; K429-Y434 HydrophobicContact CB-CE1 3.98Å; K429-Y434 HydrophobicContact CG-CE1 4.43Å; S430-Y434 PolarHBondContact OG-N 3.44Å; Y434-I458 PolarHBondContact N-O 3.44Å; Y434-I458 WeakPolarHBondContact O-CB 3.36Å; Y434-I458 PolarHBondContact O-N 3.16Å; Y434-S466 WeakPolarHBondContact CE2-O 3.42Å; Y434-F469 PolarHBondContact OH-O 2.73Å; Y434-T470 VanDerWaalsContact OH-C 3.26Å; Y434-I471 HydrophobicContact CD1-CD1 4.36Å; Y434-I471 HydrophobicContact CE1-CB 4.46Å; Y434-I471 HydrophobicContact CE1-CD1 3.84Å; Y434-I471 PolarHBondContact OH-N 3Å; Y434-L474 HydrophobicContact CD1-CD2 3.8Å; Y434-L474 HydrophobicContact CD2-CD2 3.77Å; Y434-L474 HydrophobicContact CE1-CD2 3.94Å; Y434-L474 HydrophobicContact CE2-CD2 3.9Å; Y434-L474 HydrophobicContact CG-CD2 3.71Å
435	R	94.8	Very high	90.9	Very high	58 Å²	58	72 Å²	72	22%	0.219	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.4	179.6	-176.5	176.6	-60.3	-102.5	3.1	112.4	V427 I428 T437 G455 D456 E457	V427-R435 CarbonylContact C-O 3.55Å; V427-R435 WeakPolarHBondContact CA-O 3.41Å; I428-R435 HydrophobicContact CG1-CB 4.1Å; I428-R435 PolarHBondContact N-O 3.2Å; I428-R435 PolarHBondContact O-N 3.41Å; R435-T437 PolarHBondContact O-N 3.48Å; R435-G455 PolarHBondContact NH1-O 2.94Å; R435-D456 CarbonylContact C-O 3.55Å; R435-D456 VanDerWaalsContact CA-O 3.27Å; R435-D456 WeakPolarHBondContact CA-O 3.28Å; R435-E457 IonicContact CZ-OE2 3.35Å; R435-E457 IonicContact NE-OE2 3.85Å; R435-E457 IonicContact NH2-OE2 3.08Å; R435-E457 PolarHBondContact NH2-OE2 3.43Å
436	V	94.6	Very high	90.3	Very high	1 Å²	1	75.4 Å²	75.4	1%	0.006	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	120.2	171.9	-177.2	0	0	0	0	109.7	V427 L439 I452 G455 D456 I458	V427-V436 HydrophobicContact CG1-CG2 4.24Å; V436-L439 HydrophobicContact CG1-CD2 3.66Å; V436-L439 HydrophobicContact CG1-CG 4.27Å; V436-I452 HydrophobicContact CG1-CG2 4.34Å; V436-I452 HydrophobicContact CG2-CG2 3.86Å; V436-G455 PolarHBondContact O-N 3.45Å; V436-D456 HydrophobicContact CB-CB 4.42Å; V436-D456 HydrophobicContact CG2-CB 4.26Å; V436-D456 PolarHBondContact N-O 2.93Å; V436-I458 HydrophobicContact CG2-CD1 4.2Å; V436-I458 HydrophobicContact CG2-CG1 4.24Å
437	T	94.6	Very high	89.4	Confident	52 Å²	52	71.6 Å²	71.6	32%	0.319	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-28.6	-179.6	58.8	0	0	0	0	113.3	F426 I428 R435 I454	F426-T437 PolarHBondContact O-N 2.84Å; F426-T437 PolarHBondContact O-OG1 3.27Å; I428-T437 HydrophobicContact CB-CG2 4.14Å; I428-T437 HydrophobicContact CD1-CG2 3.69Å; I428-T437 HydrophobicContact CG1-CG2 3.59Å; I428-T437 HydrophobicContact CG2-CG2 3.66Å; R435-T437 PolarHBondContact O-N 3.48Å; T437-I454 WeakPolarHBondContact O-CG2 3.42Å
438	R	93.7	Very high	88.2	Confident	177 Å²	177	74.7 Å²	74.7	67%	0.668	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149	157.9	174.3	-59.9	-179.5	161.3	-179.9	-9.1	109.7	F426	F426-R438 HydrophobicContact CB-CB 3.88Å; F426-R438 HydrophobicContact CD2-CB 3.84Å; F426-R438 HydrophobicContact CG-CB 4.06Å; F426-R438 PolarHBondContact N-O 2.93Å; F426-R438 PolarHBondContact O-N 3.31Å
439	L	92.8	Very high	87	Confident	29 Å²	29	74.5 Å²	74.5	15%	0.152	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	146.9	170.1	-59.5	173.4	0	0	0	107.7	G424 L425 V436 F443 I444 I452 I454	G424-L439 CarbonylContact O-C 3.52Å; L425-L439 HydrophobicContact CD2-CD2 3.38Å; V436-L439 HydrophobicContact CG1-CD2 3.66Å; V436-L439 HydrophobicContact CG1-CG 4.27Å; L439-F443 HydrophobicContact CB-CD1 4.14Å; L439-F443 HydrophobicContact CD1-CD1 4.14Å; L439-F443 HydrophobicContact CD1-CE1 4.21Å; L439-F443 HydrophobicContact CD2-CD1 3.83Å; L439-F443 HydrophobicContact CD2-CE1 3.9Å; L439-F443 HydrophobicContact CG-CD1 4.25Å; L439-I444 HydrophobicContact CB-CD1 4.21Å; L439-I444 HydrophobicContact CB-CG1 4.1Å; L439-I444 HydrophobicContact CD1-CG1 4.41Å; L439-I452 WeakPolarHBondContact CD1-O 3.36Å; L439-I452 HydrophobicContact CD2-CG2 4.21Å; L439-I454 HydrophobicContact CD1-CG1 4.49Å; L439-I454 HydrophobicContact CG-CG1 4.26Å
440	S	91.4	Very high	85.9	Confident	29 Å²	29	72.7 Å²	72.7	20%	0.203	36%	0.358	C	S	.	.			trans	-72.7	153.3	170.8	80.4	0	0	0	0	110.3	G424 R442 F443 I444	G424-S440 WeakPolarHBondContact CA-OG 3.46Å; G424-S440 PolarHBondContact O-N 2.91Å; S440-R442 VanDerWaalsContact C-N 3.26Å; S440-R442 PolarHBondContact O-N 3.25Å; S440-F443 WeakPolarHBondContact O-CB 3.31Å; S440-F443 PolarHBondContact O-N 3.48Å; S440-F443 VanDerWaalsContact O-N 3.15Å; S440-F443 WeakPolarHBondContact OG-CB 3.48Å; S440-F443 PolarHBondContact OG-N 2.9Å; S440-I444 PolarHBondContact O-N 2.95Å
441	E	87	Confident	85.5	Confident	146 Å²	146	74.6 Å²	74.6	68%	0.682	36%	0.363	S	S	*	.	H	α-helix	trans	-60.6	-38.5	176.4	-168.6	177.9	176.6	0	0	111.6	F443 I444 Q445	E441-F443 PolarHBondContact O-N 3.42Å; E441-I444 PolarHBondContact O-N 2.97Å; E441-Q445 WeakPolarHBondContact O-CG 3.25Å; E441-Q445 PolarHBondContact O-N 3.19Å
442	R	84.3	Confident	85.6	Confident	152 Å²	152	67.7 Å²	67.7	57%	0.574	33%	0.331	S	S	*	.	H	α-helix	trans	-62.3	-38.7	174.1	-62.2	-171.2	-174.5	-179.3	-1.3	112.8	E421 S440 I444 Q445 N446	E421-R442 WeakPolarHBondContact OE1-CD 3.35Å; E421-R442 IonicContact OE1-CZ 2.71Å; E421-R442 IonicContact OE1-NE 3.53Å; E421-R442 IonicContact OE1-NH1 3.91Å; E421-R442 PolarHBondContact OE1-NH1 3.23Å; S440-R442 VanDerWaalsContact C-N 3.26Å; S440-R442 PolarHBondContact O-N 3.25Å; R442-I444 VanDerWaalsContact C-N 3.32Å; R442-I444 PolarHBondContact O-N 3.16Å; R442-Q445 PolarHBondContact O-N 3.41Å; R442-N446 VanDerWaalsContact O-CB 3.31Å; R442-N446 WeakPolarHBondContact O-CB 3.35Å; R442-N446 PolarHBondContact O-N 3.17Å
443	F	86.1	Confident	85.7	Confident	11 Å²	11	65.9 Å²	65.9	5%	0.048	33%	0.326	C	S	.	.	H	α-helix	trans	-62.1	-42.9	177	179.3	-93	0	0	0	111.2	L414 F423 L425 L439 S440 E441 N446 N447 I452	L414-F443 HydrophobicContact CD1-CE2 4.12Å; L414-F443 HydrophobicContact CD2-CE2 3.72Å; L414-F443 HydrophobicContact CD2-CZ 4.03Å; F423-F443 WeakPolarHBondContact O-CD2 3.17Å; L425-F443 HydrophobicContact CD2-CD1 4.35Å; L425-F443 HydrophobicContact CD2-CD2 4.15Å; L425-F443 HydrophobicContact CD2-CE1 4.13Å; L425-F443 HydrophobicContact CD2-CE2 3.89Å; L425-F443 HydrophobicContact CD2-CG 4.36Å; L425-F443 HydrophobicContact CD2-CZ 3.89Å; L439-F443 HydrophobicContact CB-CD1 4.14Å; L439-F443 HydrophobicContact CD1-CD1 4.14Å; L439-F443 HydrophobicContact CD1-CE1 4.21Å; L439-F443 HydrophobicContact CD2-CD1 3.83Å; L439-F443 HydrophobicContact CD2-CE1 3.9Å; L439-F443 HydrophobicContact CG-CD1 4.25Å; S440-F443 WeakPolarHBondContact O-CB 3.31Å; S440-F443 PolarHBondContact O-N 3.48Å; S440-F443 VanDerWaalsContact O-N 3.15Å; S440-F443 WeakPolarHBondContact OG-CB 3.48Å; S440-F443 PolarHBondContact OG-N 2.9Å; E441-F443 PolarHBondContact O-N 3.42Å; F443-N446 PolarHBondContact O-N 3.46Å; F443-N447 WeakPolarHBondContact CD2-ND2 3.46Å; F443-N447 HydrophobicContact CE1-CB 4.45Å; F443-N447 WeakPolarHBondContact CE2-ND2 3.33Å; F443-N447 HydrophobicContact CZ-CB 4.33Å; F443-N447 WeakPolarHBondContact O-CB 3.33Å; F443-N447 PolarHBondContact O-N 2.87Å; F443-N447 PolarHBondContact O-ND2 3.4Å; F443-I452 HydrophobicContact CE1-CB 4.02Å; F443-I452 HydrophobicContact CZ-CB 3.91Å; F443-I452 HydrophobicContact CZ-CD1 3.94Å; F443-I452 HydrophobicContact CZ-CG1 4Å
444	I	84.2	Confident	85.7	Confident	87 Å²	87	71.3 Å²	71.3	45%	0.446	35%	0.354	S	S	.	.	H	α-helix	trans	-66.9	-39.3	178	-60.6	166.7	0	0	0	111	L439 S440 E441 R442	L439-I444 HydrophobicContact CB-CD1 4.21Å; L439-I444 HydrophobicContact CB-CG1 4.1Å; L439-I444 HydrophobicContact CD1-CG1 4.41Å; S440-I444 PolarHBondContact O-N 2.95Å; E441-I444 PolarHBondContact O-N 2.97Å; R442-I444 VanDerWaalsContact C-N 3.32Å; R442-I444 PolarHBondContact O-N 3.16Å
445	Q	81.7	Confident	85.5	Confident	122 Å²	122	72.1 Å²	72.1	57%	0.57	36%	0.363	S	S	*	.	H	α-helix	trans	-67.2	-40.6	176.4	-71.7	169.1	-2.1	0	0	112.5	E441 R442	E441-Q445 WeakPolarHBondContact O-CG 3.25Å; E441-Q445 PolarHBondContact O-N 3.19Å; R442-Q445 PolarHBondContact O-N 3.41Å
446	N	79.6	Confident	85.4	Confident	100 Å²	100	69.4 Å²	69.4	54%	0.535	35%	0.353	S	S	.	.	H	α-helix	trans	-83.1	-21	-176.3	-66.2	-2.8	0	0	0	113.5	R442 F443 P448	R442-N446 VanDerWaalsContact O-CB 3.31Å; R442-N446 WeakPolarHBondContact O-CB 3.35Å; R442-N446 PolarHBondContact O-N 3.17Å; F443-N446 PolarHBondContact O-N 3.46Å; N446-P448 VanDerWaalsContact C-CD 3.45Å; N446-P448 WeakPolarHBondContact O-CD 3.21Å
447	N	76.5	Confident	85.4	Confident	31 Å²	31	69.4 Å²	69.4	17%	0.166	35%	0.353	C	S	.	.			trans	-121.4	70.1	-179.3	-58	-91.2	0	0	0	110.8	F443 T449 N450	F443-N447 WeakPolarHBondContact CD2-ND2 3.46Å; F443-N447 HydrophobicContact CE1-CB 4.45Å; F443-N447 WeakPolarHBondContact CE2-ND2 3.33Å; F443-N447 HydrophobicContact CZ-CB 4.33Å; F443-N447 WeakPolarHBondContact O-CB 3.33Å; F443-N447 PolarHBondContact O-N 2.87Å; F443-N447 PolarHBondContact O-ND2 3.4Å; N447-T449 PolarHBondContact O-N 3.1Å; N447-T449 VanDerWaalsContact O-N 3.08Å; N447-N450 PolarHBondContact O-N 3.28Å
448	P	68.1	Low	85.4	Confident	101 Å²	101	67 Å²	67	66%	0.656	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.9	-177.1	27.7	-36.4	0	0	0	113.7	N446 N450	N446-P448 VanDerWaalsContact C-CD 3.45Å; N446-P448 WeakPolarHBondContact O-CD 3.21Å; P448-N450 PolarHBondContact O-N 2.76Å
449	T	70.1	Confident	85.4	Confident	90 Å²	90	60.2 Å²	60.2	55%	0.552	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-12.5	175.9	50.2	0	0	0	0	114	N447 E451	N447-T449 PolarHBondContact O-N 3.1Å; N447-T449 VanDerWaalsContact O-N 3.08Å; T449-E451 VanDerWaalsContact CB-OE1 3.32Å; T449-E451 WeakPolarHBondContact CB-OE1 3.45Å; T449-E451 PolarHBondContact O-N 2.95Å; T449-E451 PolarHBondContact OG1-OE1 3.17Å
450	N	69.5	Low	85.5	Confident	91 Å²	91	61.3 Å²	61.3	49%	0.487	32%	0.319	S	S	.	.			trans	52.8	35.9	-177.5	-71.3	-51.1	0	0	0	113.8	N447 P448 I452	N447-N450 PolarHBondContact O-N 3.28Å; P448-N450 PolarHBondContact O-N 2.76Å; N450-I452 PolarHBondContact O-N 2.78Å; N450-I452 VanDerWaalsContact O-N 3.1Å
451	E	83.3	Confident	85.6	Confident	69 Å²	69	59.9 Å²	59.9	32%	0.322	31%	0.309	S	S	.	.			trans	-60.1	-18.2	177.7	-79.6	167.2	-122	0	0	114.1	R410 V412 T449	R410-E451 PolarHBondContact NE-O 3.23Å; R410-E451 PolarHBondContact NH1-O 3.33Å; R410-E451 VanDerWaalsContact NH1-O 3.08Å; R410-E451 PolarHBondContact NH2-O 3.01Å; R410-E451 VanDerWaalsContact NH2-O 3.08Å; V412-E451 HydrophobicContact CG1-CB 3.91Å; V412-E451 HydrophobicContact CG2-CB 4.08Å; V412-E451 WeakPolarHBondContact CG2-O 3.42Å; T449-E451 VanDerWaalsContact CB-OE1 3.32Å; T449-E451 WeakPolarHBondContact CB-OE1 3.45Å; T449-E451 PolarHBondContact O-N 2.95Å; T449-E451 PolarHBondContact OG1-OE1 3.17Å
452	I	90.7	Very high	85.9	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	29%	0.292	C	S	.	.	S	Bend	trans	-131.1	131.7	173	-51.1	-171.9	0	0	0	109.3	V412 L414 L425 V436 L439 F443 N450 L486 I488	V412-I452 HydrophobicContact CG1-CD1 3.99Å; V412-I452 HydrophobicContact CG1-CG1 3.9Å; L414-I452 HydrophobicContact CD1-CD1 3.78Å; L414-I452 HydrophobicContact CD2-CD1 3.83Å; L414-I452 HydrophobicContact CG-CD1 4.08Å; L425-I452 HydrophobicContact CD1-CD1 3.93Å; L425-I452 HydrophobicContact CD2-CD1 4.17Å; L425-I452 HydrophobicContact CD2-CG2 4.2Å; V436-I452 HydrophobicContact CG1-CG2 4.34Å; V436-I452 HydrophobicContact CG2-CG2 3.86Å; L439-I452 WeakPolarHBondContact CD1-O 3.36Å; L439-I452 HydrophobicContact CD2-CG2 4.21Å; F443-I452 HydrophobicContact CE1-CB 4.02Å; F443-I452 HydrophobicContact CZ-CB 3.91Å; F443-I452 HydrophobicContact CZ-CD1 3.94Å; F443-I452 HydrophobicContact CZ-CG1 4Å; N450-I452 PolarHBondContact O-N 2.78Å; N450-I452 VanDerWaalsContact O-N 3.1Å; I452-L486 HydrophobicContact CD1-CD1 3.75Å; I452-I488 HydrophobicContact CD1-CD1 3.69Å; I452-I488 HydrophobicContact CG1-CD1 3.67Å; I452-I488 HydrophobicContact CG2-CD1 4.36Å
453	C	89.1	Confident	86.2	Confident	32 Å²	32	56.5 Å²	56.5	22%	0.216	30%	0.299	C	S	.	.			trans	-118.1	159.1	-178.9	-74.7	0	0	0	0	111.5	G455 D456	C453-G455 PolarHBondContact O-N 2.86Å; C453-D456 PolarHBondContact N-OD2 2.95Å; C453-D456 WeakPolarHBondContact O-CB 3.36Å; C453-D456 PolarHBondContact O-N 3.21Å
454	I	92	Very high	86.5	Confident	114 Å²	114	59.8 Å²	59.8	59%	0.585	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	130.9	167.3	-62.6	174.1	0	0	0	108.5	T437 L439	T437-I454 WeakPolarHBondContact O-CG2 3.42Å; L439-I454 HydrophobicContact CD1-CG1 4.49Å; L439-I454 HydrophobicContact CG-CG1 4.26Å
455	G	91.7	Very high	87	Confident	21 Å²	21	58.2 Å²	58.2	22%	0.216	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	107.2	-24.5	-176	0	0	0	0	0	113.6	R435 V436 C453	R435-G455 PolarHBondContact NH1-O 2.94Å; V436-G455 PolarHBondContact O-N 3.45Å; C453-G455 PolarHBondContact O-N 2.86Å
456	D	92.8	Very high	87.5	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.011	28%	0.282	C	S	.	.			trans	-57	145	177.6	-76.1	-0.9	0	0	0	112.9	R410 R435 V436 C453 I488	R410-D456 IonicContact CZ-OD2 2.6Å; R410-D456 IonicContact NE-OD2 2.66Å; R410-D456 IonicContact NH2-OD1 3.7Å; R410-D456 IonicContact NH2-OD2 3.96Å; R410-D456 PolarHBondContact NH2-OD2 3.02Å; R435-D456 CarbonylContact C-O 3.55Å; R435-D456 VanDerWaalsContact CA-O 3.27Å; R435-D456 WeakPolarHBondContact CA-O 3.28Å; V436-D456 HydrophobicContact CB-CB 4.42Å; V436-D456 HydrophobicContact CG2-CB 4.26Å; V436-D456 PolarHBondContact N-O 2.93Å; C453-D456 PolarHBondContact N-OD2 2.95Å; C453-D456 WeakPolarHBondContact O-CB 3.36Å; C453-D456 PolarHBondContact O-N 3.21Å; D456-I488 HydrophobicContact CB-CG2 3.61Å
457	E	93.9	Very high	88	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	108.9	178.6	-166.3	151.4	166.6	0	0	110.2	S430 Q432 R435 I459 I488 I489 R491	S430-E457 WeakPolarHBondContact CB-OE1 3.39Å; S430-E457 WeakPolarHBondContact OG-CG 3.5Å; S430-E457 PolarHBondContact OG-OE1 3.18Å; Q432-E457 WeakPolarHBondContact CB-OE1 3.31Å; Q432-E457 PolarHBondContact N-OE1 2.87Å; R435-E457 IonicContact CZ-OE2 3.35Å; R435-E457 IonicContact NE-OE2 3.85Å; R435-E457 IonicContact NH2-OE2 3.08Å; R435-E457 PolarHBondContact NH2-OE2 3.43Å; E457-I459 PolarHBondContact O-N 3.25Å; E457-I488 WeakPolarHBondContact O-CA 3.41Å; E457-I489 PolarHBondContact N-O 3.35Å; E457-I489 PolarHBondContact O-N 3.09Å; E457-R491 IonicContact OE1-NH2 3.77Å; E457-R491 WeakPolarHBondContact OE2-CD 3.32Å; E457-R491 IonicContact OE2-CZ 2.63Å; E457-R491 IonicContact OE2-NE 3.6Å; E457-R491 PolarHBondContact OE2-NE 3.19Å; E457-R491 IonicContact OE2-NH1 3.99Å
458	I	94.6	Very high	88.7	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	116.6	173.3	-54	173.4	0	0	0	106.9	L425 V427 G433 Y434 V436 V461 S466 L486 I488	L425-I458 HydrophobicContact CD1-CD1 4.04Å; V427-I458 HydrophobicContact CG1-CD1 4.05Å; G433-I458 WeakPolarHBondContact CA-O 3.27Å; Y434-I458 PolarHBondContact N-O 3.44Å; Y434-I458 WeakPolarHBondContact O-CB 3.36Å; Y434-I458 PolarHBondContact O-N 3.16Å; V436-I458 HydrophobicContact CG2-CD1 4.2Å; V436-I458 HydrophobicContact CG2-CG1 4.24Å; I458-V461 HydrophobicContact CG2-CG2 3.84Å; I458-S466 PolarHBondContact O-OG 2.67Å; I458-L486 HydrophobicContact CD1-CD1 4.26Å; I458-L486 HydrophobicContact CG2-CD2 4.21Å; I458-I488 HydrophobicContact CG1-CG1 4.3Å
459	I	94.4	Very high	89.9	Confident	35 Å²	35	53.9 Å²	53.9	18%	0.179	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-28.9	178.1	51.4	154.4	0	0	0	113.4	Q432 E457 S466 T487 I489	Q432-I459 HydrophobicContact CB-CG2 3.98Å; E457-I459 PolarHBondContact O-N 3.25Å; I459-S466 VanDerWaalsContact C-OG 3.27Å; I459-S466 WeakPolarHBondContact CA-OG 3.38Å; I459-S466 VanDerWaalsContact O-CB 3.29Å; I459-S466 WeakPolarHBondContact O-CB 3.22Å; I459-S466 PolarHBondContact O-N 3.21Å; I459-S466 PolarHBondContact O-OG 3.07Å; I459-T487 HydrophobicContact CD1-CG2 3.8Å; I459-T487 HydrophobicContact CG1-CG2 3.94Å; I459-T487 VanDerWaalsContact CG1-O 3.28Å; I459-T487 WeakPolarHBondContact CG1-O 3.34Å; I459-T487 PolarHBondContact N-O 2.82Å; I459-I489 HydrophobicContact CD1-CD1 3.61Å; I459-I489 HydrophobicContact CD1-CG1 4.1Å; I459-I489 HydrophobicContact CG1-CD1 4.06Å; I459-I489 HydrophobicContact CG1-CG1 4.28Å; I459-I489 HydrophobicContact CG2-CD1 3.81Å; I459-I489 HydrophobicContact CG2-CG1 4.47Å
460	Q	94.7	Very high	90.9	Very high	51 Å²	51	52.8 Å²	52.8	24%	0.238	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	150.3	175.2	-51.7	-175.6	-45.9	0	0	111.6	I464 D465 L486 T487	Q460-I464 CarbonylContact C-O 3.51Å; Q460-I464 VanDerWaalsContact CA-O 3.24Å; Q460-I464 WeakPolarHBondContact CA-O 3.08Å; Q460-I464 WeakPolarHBondContact CB-O 3.41Å; Q460-D465 PolarHBondContact NE2-OD1 3.39Å; Q460-L486 WeakPolarHBondContact O-CA 3.46Å; Q460-T487 PolarHBondContact N-O 3.13Å; Q460-T487 PolarHBondContact O-N 3.26Å; Q460-T487 PolarHBondContact OE1-OG1 3.49Å
461	V	94.1	Very high	91.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	124.8	174.6	-174.7	0	0	0	0	107.9	I458 K463 I464 F469 L474 L477 F478 L484 L485 L486	I458-V461 HydrophobicContact CG2-CG2 3.84Å; V461-K463 PolarHBondContact O-N 2.98Å; V461-I464 PolarHBondContact N-O 3.43Å; V461-I464 WeakPolarHBondContact O-CB 3.44Å; V461-I464 PolarHBondContact O-N 3.13Å; V461-F469 HydrophobicContact CB-CE2 4.36Å; V461-L474 HydrophobicContact CG2-CD1 3.95Å; V461-L477 HydrophobicContact CB-CD2 4.33Å; V461-L477 HydrophobicContact CG1-CD2 3.68Å; V461-F478 HydrophobicContact CG1-CE2 3.99Å; V461-F478 HydrophobicContact CG2-CE2 4.28Å; V461-L484 HydrophobicContact CG1-CD2 4.04Å; V461-L485 CarbonylContact C-O 3.6Å; V461-L485 WeakPolarHBondContact CA-O 3.48Å; V461-L486 HydrophobicContact CB-CD2 4.25Å; V461-L486 HydrophobicContact CG1-CD2 3.91Å; V461-L486 HydrophobicContact CG2-CD2 3.83Å
462	N	92.8	Very high	92.4	Very high	59 Å²	59	55.3 Å²	55.3	32%	0.316	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	43.6	-175.3	-64.7	-11.6	0	0	0	112.9	I464 L484 L485	N462-I464 PolarHBondContact O-N 3.48Å; N462-L484 WeakPolarHBondContact OD1-CA 3.4Å; N462-L485 PolarHBondContact N-O 3.01Å; N462-L485 PolarHBondContact OD1-N 3.24Å
463	K	90.7	Very high	92.5	Very high	167 Å²	167	59.7 Å²	59.7	73%	0.726	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	9.6	-175.7	-50	179.3	-179.6	-179.5	0	115.6	V461 L485	V461-K463 PolarHBondContact O-N 2.98Å; K463-L485 HydrophobicContact CG-CD2 4.3Å
464	I	92.8	Very high	92.7	Very high	80 Å²	80	58.6 Å²	58.6	41%	0.41	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	132.3	174.6	-58.2	170.6	0	0	0	109.1	Q460 V461 N462 S466 K468 F469	Q460-I464 CarbonylContact C-O 3.51Å; Q460-I464 VanDerWaalsContact CA-O 3.24Å; Q460-I464 WeakPolarHBondContact CA-O 3.08Å; Q460-I464 WeakPolarHBondContact CB-O 3.41Å; V461-I464 PolarHBondContact N-O 3.43Å; V461-I464 WeakPolarHBondContact O-CB 3.44Å; V461-I464 PolarHBondContact O-N 3.13Å; N462-I464 PolarHBondContact O-N 3.48Å; I464-S466 PolarHBondContact O-N 3.29Å; I464-K468 HydrophobicContact CG2-CD 4.38Å; I464-F469 HydrophobicContact CB-CE2 3.98Å; I464-F469 HydrophobicContact CB-CZ 3.87Å; I464-F469 HydrophobicContact CD1-CZ 4.06Å; I464-F469 HydrophobicContact CG2-CE1 4.46Å; I464-F469 HydrophobicContact CG2-CE2 3.74Å; I464-F469 HydrophobicContact CG2-CZ 3.6Å
465	D	93.4	Very high	92.7	Very high	54 Å²	54	58.9 Å²	58.9	29%	0.289	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	120.9	178.6	-47.6	-57	0	0	0	111.2	Q460 I467 K468	Q460-D465 PolarHBondContact NE2-OD1 3.39Å; D465-I467 HydrophobicContact CB-CG2 4.08Å; D465-I467 PolarHBondContact O-N 3.27Å; D465-I467 VanDerWaalsContact O-N 3.13Å; D465-K468 HydrophobicContact CB-CD 4.08Å; D465-K468 HydrophobicContact CB-CG 4.36Å; D465-K468 VanDerWaalsContact O-CB 3.3Å; D465-K468 WeakPolarHBondContact O-CB 3.48Å; D465-K468 PolarHBondContact O-N 3.02Å; D465-K468 WeakPolarHBondContact OD2-CE 3.44Å; D465-K468 IonicContact OD2-NZ 3.62Å; D465-K468 PolarHBondContact OD2-NZ 3.38Å
466	S	92.7	Very high	92.8	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-59.9	-31.4	-171.9	68.6	0	0	0	0	112.4	G433 Y434 I458 I459 I464 K468 F469	G433-S466 WeakPolarHBondContact CA-OG 3.46Å; Y434-S466 WeakPolarHBondContact CE2-O 3.42Å; I458-S466 PolarHBondContact O-OG 2.67Å; I459-S466 VanDerWaalsContact C-OG 3.27Å; I459-S466 WeakPolarHBondContact CA-OG 3.38Å; I459-S466 VanDerWaalsContact O-CB 3.29Å; I459-S466 WeakPolarHBondContact O-CB 3.22Å; I459-S466 PolarHBondContact O-N 3.21Å; I459-S466 PolarHBondContact O-OG 3.07Å; I464-S466 PolarHBondContact O-N 3.29Å; S466-K468 PolarHBondContact O-N 3.19Å; S466-K468 VanDerWaalsContact O-N 3.13Å; S466-F469 PolarHBondContact O-N 2.95Å
467	I	90.7	Very high	92.8	Very high	86 Å²	86	64.4 Å²	64.4	44%	0.441	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-57.4	-25	176.2	-163	169	0	0	0	113.7	D465 F469	D465-I467 HydrophobicContact CB-CG2 4.08Å; D465-I467 PolarHBondContact O-N 3.27Å; D465-I467 VanDerWaalsContact O-N 3.13Å; I467-F469 VanDerWaalsContact C-N 3.34Å
468	K	91.2	Very high	92.7	Very high	144 Å²	144	66 Å²	66	63%	0.626	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-73.5	-24	177.4	-66.5	168.7	174	160.7	0	112.6	I464 D465 S466	I464-K468 HydrophobicContact CG2-CD 4.38Å; D465-K468 HydrophobicContact CB-CD 4.08Å; D465-K468 HydrophobicContact CB-CG 4.36Å; D465-K468 VanDerWaalsContact O-CB 3.3Å; D465-K468 WeakPolarHBondContact O-CB 3.48Å; D465-K468 PolarHBondContact O-N 3.02Å; D465-K468 WeakPolarHBondContact OD2-CE 3.44Å; D465-K468 IonicContact OD2-NZ 3.62Å; D465-K468 PolarHBondContact OD2-NZ 3.38Å; S466-K468 PolarHBondContact O-N 3.19Å; S466-K468 VanDerWaalsContact O-N 3.13Å
469	F	92	Very high	92.5	Very high	33 Å²	33	72.1 Å²	72.1	15%	0.145	35%	0.347	C	S	.	.	S	Bend	trans	-83.7	139.3	176.8	-59.2	-69.9	0	0	0	112	Y434 V461 I464 S466 I467 E473 L474 L477	Y434-F469 PolarHBondContact OH-O 2.73Å; V461-F469 HydrophobicContact CB-CE2 4.36Å; I464-F469 HydrophobicContact CB-CE2 3.98Å; I464-F469 HydrophobicContact CB-CZ 3.87Å; I464-F469 HydrophobicContact CD1-CZ 4.06Å; I464-F469 HydrophobicContact CG2-CE1 4.46Å; I464-F469 HydrophobicContact CG2-CE2 3.74Å; I464-F469 HydrophobicContact CG2-CZ 3.6Å; S466-F469 PolarHBondContact O-N 2.95Å; I467-F469 VanDerWaalsContact C-N 3.34Å; F469-E473 HydrophobicContact CB-CB 4.38Å; F469-E473 HydrophobicContact CD1-CB 4.03Å; F469-L474 HydrophobicContact CB-CB 4.24Å; F469-L474 HydrophobicContact CD2-CD1 4.26Å; F469-L477 HydrophobicContact CE1-CD2 4.21Å; F469-L477 HydrophobicContact CE2-CD2 4.18Å; F469-L477 HydrophobicContact CZ-CD2 3.81Å
470	T	92.3	Very high	92.4	Very high	68 Å²	68	77 Å²	77	42%	0.417	37%	0.367	S	S	.	.			trans	-69.6	161.5	154.4	65.5	0	0	0	0	110.5	Y434 H472 E473 L474	Y434-T470 VanDerWaalsContact OH-C 3.26Å; T470-H472 PolarHBondContact O-N 2.97Å; T470-E473 VanDerWaalsContact CB-OE2 3.26Å; T470-E473 WeakPolarHBondContact CB-OE2 3.27Å; T470-E473 VanDerWaalsContact CG2-OE2 3.31Å; T470-E473 WeakPolarHBondContact CG2-OE2 3.34Å; T470-E473 PolarHBondContact N-OE2 3.23Å; T470-E473 PolarHBondContact O-N 3.03Å; T470-E473 VanDerWaalsContact OG1-CD 3.24Å; T470-E473 WeakPolarHBondContact OG1-CG 3.43Å; T470-E473 PolarHBondContact OG1-N 3.42Å; T470-E473 PolarHBondContact OG1-OE2 3.44Å; T470-L474 WeakPolarHBondContact O-CB 3.46Å; T470-L474 PolarHBondContact O-N 3.26Å
471	I	90.8	Very high	92.3	Very high	77 Å²	77	75.6 Å²	75.6	40%	0.395	36%	0.362	S	S	.	.	H	α-helix	trans	-60.8	-29.6	177.5	-174	61.6	0	0	0	112.2	V427 Y434 L474 Q475	V427-I471 HydrophobicContact CG2-CD1 4.3Å; Y434-I471 HydrophobicContact CD1-CD1 4.36Å; Y434-I471 HydrophobicContact CE1-CB 4.46Å; Y434-I471 HydrophobicContact CE1-CD1 3.84Å; Y434-I471 PolarHBondContact OH-N 3Å; I471-L474 HydrophobicContact CD1-CD2 4.47Å; I471-Q475 VanDerWaalsContact O-CB 3.31Å; I471-Q475 WeakPolarHBondContact O-CB 3.49Å; I471-Q475 PolarHBondContact O-N 3.17Å
472	H	92.6	Very high	92.1	Very high	136 Å²	136	79 Å²	79	63%	0.63	38%	0.378	S	S	*	.	H	α-helix	trans	-73.8	-44.8	178.5	-62.3	-57.4	0	0	0	112	T470 L474 Q475 E476	T470-H472 PolarHBondContact O-N 2.97Å; H472-L474 VanDerWaalsContact C-N 3.32Å; H472-L474 PolarHBondContact O-N 3.23Å; H472-Q475 PolarHBondContact O-N 3.26Å; H472-E476 WeakPolarHBondContact O-CB 3.39Å; H472-E476 PolarHBondContact O-N 3.19Å
473	E	93.6	Very high	92	Very high	93 Å²	93	79.5 Å²	79.5	44%	0.435	38%	0.383	S	S	.	.	H	α-helix	trans	-64.5	-38.3	174.8	-67.8	156.6	143	0	0	111.4	F469 T470 E476 L477	F469-E473 HydrophobicContact CB-CB 4.38Å; F469-E473 HydrophobicContact CD1-CB 4.03Å; T470-E473 VanDerWaalsContact CB-OE2 3.26Å; T470-E473 WeakPolarHBondContact CB-OE2 3.27Å; T470-E473 VanDerWaalsContact CG2-OE2 3.31Å; T470-E473 WeakPolarHBondContact CG2-OE2 3.34Å; T470-E473 PolarHBondContact N-OE2 3.23Å; T470-E473 PolarHBondContact O-N 3.03Å; T470-E473 VanDerWaalsContact OG1-CD 3.24Å; T470-E473 WeakPolarHBondContact OG1-CG 3.43Å; T470-E473 PolarHBondContact OG1-N 3.42Å; T470-E473 PolarHBondContact OG1-OE2 3.44Å; E473-E476 PolarHBondContact O-N 3.05Å; E473-L477 VanDerWaalsContact O-CB 3.27Å; E473-L477 WeakPolarHBondContact O-CB 3.31Å; E473-L477 PolarHBondContact O-N 3.1Å
474	L	93.2	Very high	92.2	Very high	9 Å²	9	71.5 Å²	71.5	5%	0.047	35%	0.349	C	S	.	.	H	α-helix	trans	-62.6	-45.3	173.9	-171.3	73.2	0	0	0	111.2	V427 Y434 V461 F469 T470 I471 H472 L477 F478	V427-L474 HydrophobicContact CG2-CD2 4.1Å; Y434-L474 HydrophobicContact CD1-CD2 3.8Å; Y434-L474 HydrophobicContact CD2-CD2 3.77Å; Y434-L474 HydrophobicContact CE1-CD2 3.94Å; Y434-L474 HydrophobicContact CE2-CD2 3.9Å; Y434-L474 HydrophobicContact CG-CD2 3.71Å; V461-L474 HydrophobicContact CG2-CD1 3.95Å; F469-L474 HydrophobicContact CB-CB 4.24Å; F469-L474 HydrophobicContact CD2-CD1 4.26Å; T470-L474 WeakPolarHBondContact O-CB 3.46Å; T470-L474 PolarHBondContact O-N 3.26Å; I471-L474 HydrophobicContact CD1-CD2 4.47Å; H472-L474 VanDerWaalsContact C-N 3.32Å; H472-L474 PolarHBondContact O-N 3.23Å; L474-L477 PolarHBondContact O-N 3.05Å; L474-F478 HydrophobicContact CD1-CD2 4.1Å; L474-F478 HydrophobicContact CD1-CE2 3.69Å; L474-F478 HydrophobicContact CG-CD2 4.16Å; L474-F478 HydrophobicContact CG-CE2 4.05Å; L474-F478 WeakPolarHBondContact O-CB 3.18Å; L474-F478 WeakPolarHBondContact O-CD2 3.48Å; L474-F478 PolarHBondContact O-N 3.29Å
475	Q	92.4	Very high	92.2	Very high	120 Å²	120	70.1 Å²	70.1	56%	0.561	34%	0.342	S	S	*	.	H	α-helix	trans	-62.8	-42.7	176.6	-177.8	178.8	-10.8	0	0	111.7	I471 H472 F478 Q479	I471-Q475 VanDerWaalsContact O-CB 3.31Å; I471-Q475 WeakPolarHBondContact O-CB 3.49Å; I471-Q475 PolarHBondContact O-N 3.17Å; H472-Q475 PolarHBondContact O-N 3.26Å; Q475-F478 PolarHBondContact O-N 3.27Å; Q475-Q479 WeakPolarHBondContact O-CB 3.49Å; Q475-Q479 PolarHBondContact O-N 2.88Å
476	E	92.4	Very high	92.3	Very high	95 Å²	95	67.6 Å²	67.6	44%	0.444	33%	0.328	S	S	.	.	H	α-helix	trans	-65.4	-41.6	177.3	-174	176	-172.6	0	0	111.9	H472 E473 Q479 K480	H472-E476 WeakPolarHBondContact O-CB 3.39Å; H472-E476 PolarHBondContact O-N 3.19Å; E473-E476 PolarHBondContact O-N 3.05Å; E476-Q479 PolarHBondContact O-N 3.5Å; E476-K480 HydrophobicContact CG-CD 4.12Å; E476-K480 WeakPolarHBondContact O-CB 3.4Å; E476-K480 WeakPolarHBondContact O-CG 3.33Å; E476-K480 PolarHBondContact O-N 2.74Å; E476-K480 WeakPolarHBondContact OE1-CE 3.18Å; E476-K480 IonicContact OE1-NZ 3.78Å; E476-K480 PolarHBondContact OE1-NZ 2.84Å
477	L	92.6	Very high	92.3	Very high	44 Å²	44	67.8 Å²	67.8	23%	0.23	33%	0.33	C	S	.	.	H	α-helix	trans	-60.9	-45.8	174	179.1	63.3	0	0	0	111.3	V461 F469 E473 L474 Q479 K480 S481 L484	V461-L477 HydrophobicContact CB-CD2 4.33Å; V461-L477 HydrophobicContact CG1-CD2 3.68Å; F469-L477 HydrophobicContact CE1-CD2 4.21Å; F469-L477 HydrophobicContact CE2-CD2 4.18Å; F469-L477 HydrophobicContact CZ-CD2 3.81Å; E473-L477 VanDerWaalsContact O-CB 3.27Å; E473-L477 WeakPolarHBondContact O-CB 3.31Å; E473-L477 PolarHBondContact O-N 3.1Å; L474-L477 PolarHBondContact O-N 3.05Å; L477-Q479 VanDerWaalsContact C-N 3.33Å; L477-Q479 PolarHBondContact O-N 3.36Å; L477-K480 PolarHBondContact O-N 3.09Å; L477-S481 VanDerWaalsContact O-CB 3.27Å; L477-S481 WeakPolarHBondContact O-CB 3.2Å; L477-S481 PolarHBondContact O-N 2.98Å; L477-S481 VanDerWaalsContact O-N 3.08Å; L477-S481 PolarHBondContact O-OG 3.16Å; L477-L484 HydrophobicContact CG-CD2 4.4Å
478	F	92.6	Very high	92.5	Very high	33 Å²	33	63.7 Å²	63.7	15%	0.145	31%	0.309	C	S	.	.	H	α-helix	trans	-66.1	-33.8	176.6	-87.3	-120.4	0	0	0	112.3	R416 F423 L425 V461 L474 Q475 L484 L486	R416-F478 PolarHBondContact NH2-O 3.27Å; R416-F478 VanDerWaalsContact NH2-O 3.14Å; F423-F478 HydrophobicContact CB-CD1 4.42Å; F423-F478 HydrophobicContact CD2-CB 4.49Å; F423-F478 AromaticContact CD2-CD1 3.95Å; F423-F478 HydrophobicContact CD2-CD1 3.95Å; F423-F478 WeakPolarHBondContact CE2-O 3.45Å; F423-F478 HydrophobicContact CG-CD1 4.47Å; L425-F478 HydrophobicContact CD1-CE1 4.18Å; V461-F478 HydrophobicContact CG1-CE2 3.99Å; V461-F478 HydrophobicContact CG2-CE2 4.28Å; L474-F478 HydrophobicContact CD1-CD2 4.1Å; L474-F478 HydrophobicContact CD1-CE2 3.69Å; L474-F478 HydrophobicContact CG-CD2 4.16Å; L474-F478 HydrophobicContact CG-CE2 4.05Å; L474-F478 WeakPolarHBondContact O-CB 3.18Å; L474-F478 WeakPolarHBondContact O-CD2 3.48Å; L474-F478 PolarHBondContact O-N 3.29Å; Q475-F478 PolarHBondContact O-N 3.27Å; F478-L484 HydrophobicContact CB-CD1 4.32Å; F478-L484 HydrophobicContact CD1-CD1 3.42Å; F478-L484 VanDerWaalsContact CD1-CD1 3.42Å; F478-L484 HydrophobicContact CD2-CD1 3.71Å; F478-L484 HydrophobicContact CE1-CD1 3.49Å; F478-L484 VanDerWaalsContact CE1-CD1 3.49Å; F478-L484 HydrophobicContact CE2-CD1 3.78Å; F478-L484 HydrophobicContact CG-CD1 3.54Å; F478-L484 HydrophobicContact CZ-CD1 3.69Å; F478-L486 HydrophobicContact CZ-CD2 4.02Å
479	Q	91.3	Very high	92.6	Very high	130 Å²	130	57.5 Å²	57.5	61%	0.607	28%	0.282	S	S	*	.	H	α-helix	trans	-74.2	-33.3	177.6	-172.7	174	1.8	0	0	112.8	R416 Q475 E476 L477	R416-Q479 PolarHBondContact NH2-O 3.32Å; Q475-Q479 WeakPolarHBondContact O-CB 3.49Å; Q475-Q479 PolarHBondContact O-N 2.88Å; E476-Q479 PolarHBondContact O-N 3.5Å; L477-Q479 VanDerWaalsContact C-N 3.33Å; L477-Q479 PolarHBondContact O-N 3.36Å
480	K	91.9	Very high	92.2	Very high	139 Å²	139	64 Å²	64	60%	0.604	31%	0.306	S	S	*	.	H	α-helix	trans	-84.9	-21.6	179.7	-70	178.5	-175.5	175	0	114.6	E476 L477	E476-K480 HydrophobicContact CG-CD 4.12Å; E476-K480 WeakPolarHBondContact O-CB 3.4Å; E476-K480 WeakPolarHBondContact O-CG 3.33Å; E476-K480 PolarHBondContact O-N 2.74Å; E476-K480 WeakPolarHBondContact OE1-CE 3.18Å; E476-K480 IonicContact OE1-NZ 3.78Å; E476-K480 PolarHBondContact OE1-NZ 2.84Å; L477-K480 PolarHBondContact O-N 3.09Å
481	S	91.4	Very high	91.2	Very high	20 Å²	20	68.1 Å²	68.1	14%	0.14	31%	0.314	C	S	.	.			trans	-91.8	131.9	-172.7	-55.3	0	0	0	0	112.1	R416 F423 L477 L484	R416-S481 VanDerWaalsContact CZ-O 3.29Å; R416-S481 PolarHBondContact NE-O 2.94Å; R416-S481 PolarHBondContact NH2-O 3.06Å; F423-S481 WeakPolarHBondContact CE2-O 3.2Å; F423-S481 WeakPolarHBondContact CZ-O 3.48Å; L477-S481 VanDerWaalsContact O-CB 3.27Å; L477-S481 WeakPolarHBondContact O-CB 3.2Å; L477-S481 PolarHBondContact O-N 2.98Å; L477-S481 VanDerWaalsContact O-N 3.08Å; L477-S481 PolarHBondContact O-OG 3.16Å; S481-L484 VanDerWaalsContact CB-CD2 3.47Å
482	Q	91.4	Very high	91.2	Very high	71 Å²	71	67.7 Å²	67.7	33%	0.332	31%	0.31	S	S	.	.	S	Bend	trans	-78	-33	168.2	-167	72.7	-14.2	0	0	111.8	R416 P417 L419 F423	R416-Q482 WeakPolarHBondContact CG-O 3.21Å; R416-Q482 PolarHBondContact N-O 3.27Å; R416-Q482 VanDerWaalsContact N-O 3.16Å; R416-Q482 VanDerWaalsContact O-CD 3.25Å; R416-Q482 PolarHBondContact O-NE2 3.11Å; P417-Q482 PolarHBondContact O-NE2 3.27Å; L419-Q482 HydrophobicContact CD2-CB 4.2Å; F423-Q482 WeakPolarHBondContact CZ-O 3.49Å
483	T	90.9	Very high	91.2	Very high	70 Å²	70	64.1 Å²	64.1	43%	0.429	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.8	-179.3	-53.1	0	0	0	0	109.7	T413 L414 T415	T413-T483 HydrophobicContact CG2-CG2 3.71Å; L414-T483 CarbonylContact O-C 3.49Å; L414-T483 VanDerWaalsContact O-CA 3.26Å; L414-T483 WeakPolarHBondContact O-CA 3.37Å; T415-T483 HydrophobicContact CG2-CG2 3.85Å
484	L	93.1	Very high	91	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.4	176.5	-67.9	171.5	0	0	0	110.1	L414 F423 V461 N462 L477 F478 S481 L486	L414-L484 HydrophobicContact CB-CB 4.46Å; L414-L484 PolarHBondContact N-O 3.1Å; L414-L484 PolarHBondContact O-N 3.29Å; F423-L484 HydrophobicContact CD2-CD1 3.69Å; F423-L484 HydrophobicContact CE1-CD1 4.34Å; F423-L484 HydrophobicContact CE2-CD1 3.36Å; F423-L484 HydrophobicContact CE2-CG 3.86Å; F423-L484 HydrophobicContact CG-CD1 4.31Å; F423-L484 HydrophobicContact CZ-CB 4.47Å; F423-L484 HydrophobicContact CZ-CD1 3.72Å; F423-L484 HydrophobicContact CZ-CG 3.81Å; V461-L484 HydrophobicContact CG1-CD2 4.04Å; N462-L484 WeakPolarHBondContact OD1-CA 3.4Å; L477-L484 HydrophobicContact CG-CD2 4.4Å; F478-L484 HydrophobicContact CB-CD1 4.32Å; F478-L484 HydrophobicContact CD1-CD1 3.42Å; F478-L484 VanDerWaalsContact CD1-CD1 3.42Å; F478-L484 HydrophobicContact CD2-CD1 3.71Å; F478-L484 HydrophobicContact CE1-CD1 3.49Å; F478-L484 VanDerWaalsContact CE1-CD1 3.49Å; F478-L484 HydrophobicContact CE2-CD1 3.78Å; F478-L484 HydrophobicContact CG-CD1 3.54Å; F478-L484 HydrophobicContact CZ-CD1 3.69Å; S481-L484 VanDerWaalsContact CB-CD2 3.47Å; L484-L486 HydrophobicContact CB-CD2 4.31Å
485	L	93.6	Very high	90.9	Very high	51 Å²	51	65.6 Å²	65.6	27%	0.267	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	113.7	169.6	-179.2	65.2	0	0	0	109	V461 N462 K463	V461-L485 CarbonylContact C-O 3.6Å; V461-L485 WeakPolarHBondContact CA-O 3.48Å; N462-L485 PolarHBondContact N-O 3.01Å; N462-L485 PolarHBondContact OD1-N 3.24Å; K463-L485 HydrophobicContact CG-CD2 4.3Å
486	L	94.8	Very high	90.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.3	-179.6	-55.4	-177.4	0	0	0	110.4	F411 V412 L414 L425 I452 I458 Q460 V461 F478 L484 I488	F411-L486 CarbonylContact C-O 3.54Å; F411-L486 WeakPolarHBondContact CA-O 3.35Å; V412-L486 PolarHBondContact N-O 3.24Å; V412-L486 PolarHBondContact O-N 2.86Å; L414-L486 HydrophobicContact CD1-CD1 3.62Å; L414-L486 HydrophobicContact CG-CD1 3.99Å; L425-L486 HydrophobicContact CD1-CD1 4.07Å; I452-L486 HydrophobicContact CD1-CD1 3.75Å; I458-L486 HydrophobicContact CD1-CD1 4.26Å; I458-L486 HydrophobicContact CG2-CD2 4.21Å; Q460-L486 WeakPolarHBondContact O-CA 3.46Å; V461-L486 HydrophobicContact CB-CD2 4.25Å; V461-L486 HydrophobicContact CG1-CD2 3.91Å; V461-L486 HydrophobicContact CG2-CD2 3.83Å; F478-L486 HydrophobicContact CZ-CD2 4.02Å; L484-L486 HydrophobicContact CB-CD2 4.31Å; L486-I488 HydrophobicContact CB-CD1 4.02Å; L486-I488 HydrophobicContact CB-CG1 3.9Å; L486-I488 HydrophobicContact CD1-CD1 4.2Å
487	T	94.4	Very high	90.7	Very high	5 Å²	5	60 Å²	60	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.8	163.7	-47.8	0	0	0	0	107.6	F411 I459 Q460	F411-T487 HydrophobicContact CD1-CG2 4.03Å; F411-T487 WeakPolarHBondContact CD1-OG1 3.47Å; F411-T487 HydrophobicContact CE1-CG2 3.66Å; F411-T487 WeakPolarHBondContact CE1-OG1 3.42Å; F411-T487 HydrophobicContact CZ-CG2 4.22Å; I459-T487 HydrophobicContact CD1-CG2 3.8Å; I459-T487 HydrophobicContact CG1-CG2 3.94Å; I459-T487 VanDerWaalsContact CG1-O 3.28Å; I459-T487 WeakPolarHBondContact CG1-O 3.34Å; I459-T487 PolarHBondContact N-O 2.82Å; Q460-T487 PolarHBondContact N-O 3.13Å; Q460-T487 PolarHBondContact O-N 3.26Å; Q460-T487 PolarHBondContact OE1-OG1 3.49Å
488	I	94	Very high	90.6	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.1	-168.5	-56.9	-177.7	0	0	0	109.9	S409 R410 V412 I452 D456 E457 I458 L486	S409-I488 CarbonylContact C-O 3.52Å; S409-I488 WeakPolarHBondContact CA-O 3.14Å; R410-I488 HydrophobicContact CG-CB 4.04Å; R410-I488 PolarHBondContact N-O 2.85Å; R410-I488 PolarHBondContact O-N 3.41Å; V412-I488 HydrophobicContact CB-CD1 4.07Å; V412-I488 HydrophobicContact CG2-CD1 3.97Å; I452-I488 HydrophobicContact CD1-CD1 3.69Å; I452-I488 HydrophobicContact CG1-CD1 3.67Å; I452-I488 HydrophobicContact CG2-CD1 4.36Å; D456-I488 HydrophobicContact CB-CG2 3.61Å; E457-I488 WeakPolarHBondContact O-CA 3.41Å; I458-I488 HydrophobicContact CG1-CG1 4.3Å; L486-I488 HydrophobicContact CB-CD1 4.02Å; L486-I488 HydrophobicContact CB-CG1 3.9Å; L486-I488 HydrophobicContact CD1-CD1 4.2Å
489	I	92.3	Very high	90.4	Very high	13 Å²	13	63.3 Å²	63.3	7%	0.067	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.1	172.8	-75.8	170.4	0	0	0	109	I407 E457 I459 R491	I407-I489 HydrophobicContact CG2-CB 4.14Å; I407-I489 HydrophobicContact CG2-CD1 3.67Å; I407-I489 HydrophobicContact CG2-CG1 3.79Å; I407-I489 HydrophobicContact CG2-CG2 3.28Å; E457-I489 PolarHBondContact N-O 3.35Å; E457-I489 PolarHBondContact O-N 3.09Å; I459-I489 HydrophobicContact CD1-CD1 3.61Å; I459-I489 HydrophobicContact CD1-CG1 4.1Å; I459-I489 HydrophobicContact CG1-CD1 4.06Å; I459-I489 HydrophobicContact CG1-CG1 4.28Å; I459-I489 HydrophobicContact CG2-CD1 3.81Å; I459-I489 HydrophobicContact CG2-CG1 4.47Å; I489-R491 HydrophobicContact CG2-CG 4.25Å
490	R	85.2	Confident	90.3	Very high	170 Å²	170	57.8 Å²	57.8	64%	0.642	26%	0.258	S	S	*	.			trans	-87.7	128.7	168.4	-164	170.2	-176.9	154.8	0.9	109.1
491	R	70.9	Confident	90.2	Very high	154 Å²	154	50.4 Å²	50.4	58%	0.581	23%	0.226	S	C	*	.			trans	-120.6	0	177	-89.9	-177.8	178.5	-150	14	110.2	E431 E457 I489	E431-R491 IonicContact OE2-CZ 3.6Å; E431-R491 IonicContact OE2-NH1 2.69Å; E431-R491 IonicContact OE2-NH2 2.68Å; E431-R491 PolarHBondContact OE2-NH2 3.23Å; E431-R491 VanDerWaalsContact OE2-NH2 3.08Å; E457-R491 IonicContact OE1-NH2 3.77Å; E457-R491 WeakPolarHBondContact OE2-CD 3.32Å; E457-R491 IonicContact OE2-CZ 2.63Å; E457-R491 IonicContact OE2-NE 3.6Å; E457-R491 PolarHBondContact OE2-NE 3.19Å; E457-R491 IonicContact OE2-NH1 3.99Å; I489-R491 HydrophobicContact CG2-CG 4.25Å

Retrieved 491 of 491 residues in 139.1 ms (Link to these results)

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